smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1CC([NH2+]Cc2cc(F)c(N(C)C)cc2F)C[C@@H](C)O1 ZINC001334904076 936121659 /nfs/dbraw/zinc/12/16/59/936121659.db2.gz YMRCMXRIXOXFRJ-GHMZBOCLSA-N 1 0 298.377 3.076 20 10 CGCDRO C[C@H]1SCC[N@H+](Cc2ccc(Cl)cc2O)[C@@H]1C ZINC001474369533 937855563 /nfs/dbraw/zinc/85/55/63/937855563.db2.gz MNPIWEDAZZRZJP-NXEZZACHSA-N 1 0 271.813 3.371 20 10 CGCDRO CO[C@H]1CC[C@H]([NH2+]Cc2c(O)cc(C)cc2Cl)C1 ZINC001345153695 936804198 /nfs/dbraw/zinc/80/41/98/936804198.db2.gz DQNCKUFMIMWRLG-QWRGUYRKSA-N 1 0 269.772 3.011 20 10 CGCDRO COc1ccc(C[N@H+](C)CCc2ccc(F)cc2)c(O)c1 ZINC000092162172 926802963 /nfs/dbraw/zinc/80/29/63/926802963.db2.gz YLSJCSDIAGEEEC-UHFFFAOYSA-N 1 0 289.350 3.214 20 10 CGCDRO CCOCc1ccccc1C[NH2+]Cc1ccc(N)cc1 ZINC001356082630 937152545 /nfs/dbraw/zinc/15/25/45/937152545.db2.gz ABDXLEHCPHXLAJ-UHFFFAOYSA-N 1 0 270.376 3.095 20 10 CGCDRO C[C@]1(C[NH2+]Cc2ccc3c(c2)CCCO3)CCCC[C@H]1O ZINC001461287800 937574441 /nfs/dbraw/zinc/57/44/41/937574441.db2.gz QXXKEXGWYRLLBN-QZTJIDSGSA-N 1 0 289.419 3.042 20 10 CGCDRO CN(C)c1cc(F)c(C[NH2+][C@H]2CCC2(C)C)cc1F ZINC001461494201 937583663 /nfs/dbraw/zinc/58/36/63/937583663.db2.gz QOCJYGINDYVQQY-AWEZNQCLSA-N 1 0 268.351 3.309 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@]2(C)CC2(C)C)cc1F ZINC001461647503 937590643 /nfs/dbraw/zinc/59/06/43/937590643.db2.gz INLXULZWMFCTGF-OAHLLOKOSA-N 1 0 250.361 3.170 20 10 CGCDRO COc1ccc2c(c1)CC[N@@H+](Cc1ccc(C)cc1O)CC2 ZINC001462108889 937617925 /nfs/dbraw/zinc/61/79/25/937617925.db2.gz BKKONCMOEBCPMD-UHFFFAOYSA-N 1 0 297.398 3.310 20 10 CGCDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1Cc1ccc(Cl)cc1O ZINC001462213796 937625392 /nfs/dbraw/zinc/62/53/92/937625392.db2.gz CLMCCMCRTOSTSX-IUODEOHRSA-N 1 0 294.826 3.104 20 10 CGCDRO C[C@H]1CC2(C[N@@H+]1Cc1ccc(Cl)cc1O)CCOCC2 ZINC001462370313 937636013 /nfs/dbraw/zinc/63/60/13/937636013.db2.gz YGAPWUBDGIOTDM-LBPRGKRZSA-N 1 0 295.810 3.437 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CCCC[C@@H]3C)C2)cc1 ZINC001462419998 937639920 /nfs/dbraw/zinc/63/99/20/937639920.db2.gz IKWXCGLGCGUOFM-RLFYNMQTSA-N 1 0 288.435 3.442 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+]C[C@@H]2CCN2C(C)(C)C)c1 ZINC001462428432 937640733 /nfs/dbraw/zinc/64/07/33/937640733.db2.gz RHWCWCDFMGHWCQ-INIZCTEOSA-N 1 0 290.451 3.478 20 10 CGCDRO CS[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2O)C1 ZINC001462474085 937643602 /nfs/dbraw/zinc/64/36/02/937643602.db2.gz CUWBWWWOFXMMGP-XYPYZODXSA-N 1 0 257.786 3.029 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CC2(C)C)c(Cl)c1 ZINC001308260065 933083273 /nfs/dbraw/zinc/08/32/73/933083273.db2.gz GYRUTKKVQKFMMA-SNVBAGLBSA-N 1 0 253.773 3.490 20 10 CGCDRO CCCOc1ccc(C[NH2+]CCN2CCC[C@H]2C)cc1C ZINC001308292028 933090469 /nfs/dbraw/zinc/09/04/69/933090469.db2.gz CPXUURGWIDYYTI-MRXNPFEDSA-N 1 0 290.451 3.358 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2C=CCC2)c(Cl)c1 ZINC001308502974 933120905 /nfs/dbraw/zinc/12/09/05/933120905.db2.gz BYWBDXLBFMSNGZ-LLVKDONJSA-N 1 0 251.757 3.410 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](CO)CCC(C)(C)C ZINC001308720670 933164047 /nfs/dbraw/zinc/16/40/47/933164047.db2.gz XMUULBQIQFKYNH-MRXNPFEDSA-N 1 0 292.467 3.338 20 10 CGCDRO CC[C@H](C)C[C@@H](CO)[NH2+]Cc1cc(C(C)C)ccc1O ZINC001308834048 933186850 /nfs/dbraw/zinc/18/68/50/933186850.db2.gz MTYOPPJKSAMRKR-BBRMVZONSA-N 1 0 279.424 3.402 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc3[nH]c(=O)oc3c2)c(O)c1 ZINC001308885423 933197000 /nfs/dbraw/zinc/19/70/00/933197000.db2.gz CVLJPOCYTWUDMX-NSHDSACASA-N 1 0 298.342 3.398 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C ZINC001308941674 933208794 /nfs/dbraw/zinc/20/87/94/933208794.db2.gz ZVZCCNUOIBEFBN-SIUPPRGNSA-N 1 0 272.436 3.443 20 10 CGCDRO CC[N@@H+](Cc1ccc(N2CCCC2)cc1)C[C@@H]1CCOC1 ZINC001320479792 934053223 /nfs/dbraw/zinc/05/32/23/934053223.db2.gz ARWADEVHZCTPOD-KRWDZBQOSA-N 1 0 288.435 3.145 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1N(C)C)c1cc(F)ccc1O ZINC001323831251 934429542 /nfs/dbraw/zinc/42/95/42/934429542.db2.gz KPAMWDNWVWNWRD-GLQYFDAESA-N 1 0 280.387 3.055 20 10 CGCDRO Cc1csc(CCC[NH2+][C@H]2CCc3cccc(O)c32)n1 ZINC001324601246 934531093 /nfs/dbraw/zinc/53/10/93/934531093.db2.gz IFBKUBBASKDNNW-ZDUSSCGKSA-N 1 0 288.416 3.367 20 10 CGCDRO COc1cccc(O)c1C[NH+]1CCC(c2ccncc2)CC1 ZINC001325713880 934925075 /nfs/dbraw/zinc/92/50/75/934925075.db2.gz OXHHKCIQNMEZFZ-UHFFFAOYSA-N 1 0 298.386 3.175 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H](C)c1ccn(C)n1 ZINC001326047008 934947262 /nfs/dbraw/zinc/94/72/62/934947262.db2.gz SEKMKTVVWBOSAT-DYEKYZERSA-N 1 0 285.391 3.333 20 10 CGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+][C@H]1CCCOC1 ZINC001326707961 935000455 /nfs/dbraw/zinc/00/04/55/935000455.db2.gz FZBPAGLABZRVQK-AVGNSLFASA-N 1 0 261.365 3.018 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1ccccc1O ZINC001473723429 937819021 /nfs/dbraw/zinc/81/90/21/937819021.db2.gz GJKHFQQPBSPVFC-SNVBAGLBSA-N 1 0 290.294 3.290 20 10 CGCDRO CCC[C@H](C)[C@H](CO)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001327271244 935049614 /nfs/dbraw/zinc/04/96/14/935049614.db2.gz WYSUBOVIYSMLDA-YJBOKZPZSA-N 1 0 290.451 3.174 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)[C@H](O)C(C)C ZINC001331401483 935377094 /nfs/dbraw/zinc/37/70/94/935377094.db2.gz ZCKAMQIZHDTXSQ-QZTJIDSGSA-N 1 0 290.451 3.172 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)[C@@H](O)C(C)C ZINC001331401484 935377322 /nfs/dbraw/zinc/37/73/22/935377322.db2.gz ZCKAMQIZHDTXSQ-ROUUACIJSA-N 1 0 290.451 3.172 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@@H](C)CC(C)C)c1O ZINC001331996774 935431562 /nfs/dbraw/zinc/43/15/62/935431562.db2.gz ZWVXAIZLCRHTQI-LBPRGKRZSA-N 1 0 251.370 3.233 20 10 CGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC001333162472 935514809 /nfs/dbraw/zinc/51/48/09/935514809.db2.gz CFPDFYKLONZMTD-KTMFAHBVSA-N 1 0 287.403 3.406 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2CCCC2(C)C)c(O)c1OC ZINC001333693740 935562354 /nfs/dbraw/zinc/56/23/54/935562354.db2.gz OALJDANLQOCMQB-ZDUSSCGKSA-N 1 0 279.380 3.078 20 10 CGCDRO COc1cccc(F)c1C[NH2+]Cc1ccc(C)cc1O ZINC001333877310 936073158 /nfs/dbraw/zinc/07/31/58/936073158.db2.gz XTFJHTFDQXMNRW-UHFFFAOYSA-N 1 0 275.323 3.138 20 10 CGCDRO CC[N@@H+](Cc1ccc(N)cc1)C[C@H](O)c1ccc(C)cc1 ZINC001336116592 936175777 /nfs/dbraw/zinc/17/57/77/936175777.db2.gz GQTJAMLXGJRGGA-SFHVURJKSA-N 1 0 284.403 3.133 20 10 CGCDRO Nc1ccc(C[N@@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)cc1 ZINC001336120443 936176784 /nfs/dbraw/zinc/17/67/84/936176784.db2.gz ZAORSBLPRMDVCK-LBPRGKRZSA-N 1 0 288.288 3.135 20 10 CGCDRO CC[N@@H+](Cc1c(C)cc(OC)cc1O)CC(C)C ZINC001474381732 937856170 /nfs/dbraw/zinc/85/61/70/937856170.db2.gz OHPVMIHFYKZNFJ-UHFFFAOYSA-N 1 0 251.370 3.187 20 10 CGCDRO CN1CCCC(C)(C)[C@@H]1C[NH2+]Cc1ccc(Cl)cc1O ZINC001474498488 937863108 /nfs/dbraw/zinc/86/31/08/937863108.db2.gz UFOZIEXJYOEBOM-HNNXBMFYSA-N 1 0 296.842 3.256 20 10 CGCDRO CC[C@H]([NH2+]Cc1cc(C(C)C)ccc1O)[C@H](O)C(F)F ZINC001474553712 937866599 /nfs/dbraw/zinc/86/65/99/937866599.db2.gz UNEKUNBVNKHBHQ-JSGCOSHPSA-N 1 0 287.350 3.010 20 10 CGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CCC[C@H](C(C)(C)O)C2)c1 ZINC001474697978 937875611 /nfs/dbraw/zinc/87/56/11/937875611.db2.gz HNIFJRRNMMAKNO-INIZCTEOSA-N 1 0 291.435 3.499 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H](C)CN2CCCCC2)c(Cl)c1 ZINC001560262277 938249831 /nfs/dbraw/zinc/24/98/31/938249831.db2.gz WSVNSWTZBOZHSQ-ZDUSSCGKSA-N 1 0 296.842 3.318 20 10 CGCDRO CCCN(CCC)c1ccc(C[NH2+]Cc2cnccn2)cc1 ZINC001560618710 938266112 /nfs/dbraw/zinc/26/61/12/938266112.db2.gz YQRHCROXUZDORI-UHFFFAOYSA-N 1 0 298.434 3.393 20 10 CGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC001560683846 938269810 /nfs/dbraw/zinc/26/98/10/938269810.db2.gz ORPMABRZCNGSHN-ZDUSSCGKSA-N 1 0 263.381 3.126 20 10 CGCDRO CC[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2C)CCS1 ZINC001560685321 938269973 /nfs/dbraw/zinc/26/99/73/938269973.db2.gz PSHPRPMFVWJGPH-INIZCTEOSA-N 1 0 278.465 3.388 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+][C@@H](CCO)c2ccco2)c1 ZINC001560779828 938275431 /nfs/dbraw/zinc/27/54/31/938275431.db2.gz YNBHRQIJYXBOAS-HNNXBMFYSA-N 1 0 289.375 3.322 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+][C@@H]2CSC[C@@H]2C)c1 ZINC001560823584 938277944 /nfs/dbraw/zinc/27/79/44/938277944.db2.gz LGGGRNDISUPJOG-SMDDNHRTSA-N 1 0 265.422 3.357 20 10 CGCDRO COc1cc(C)cc(C[NH2+]C[C@]23C[C@H]2CCCC3)c1O ZINC001561008593 938289106 /nfs/dbraw/zinc/28/91/06/938289106.db2.gz DVZXRKQCFNAKOV-PBHICJAKSA-N 1 0 275.392 3.379 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+][C@H](CN)C2CCCC2)c1 ZINC001575858836 962421840 /nfs/dbraw/zinc/42/18/40/962421840.db2.gz SDNDNCRUDXXZMP-MRXNPFEDSA-N 1 0 276.424 3.123 20 10 CGCDRO CC(C)([NH2+]Cc1cc2c(cc1O)OCO2)c1ccccc1 ZINC000050898355 345085577 /nfs/dbraw/zinc/08/55/77/345085577.db2.gz OXVXAUGRKZQXEQ-UHFFFAOYSA-N 1 0 285.343 3.146 20 10 CGCDRO CC[NH+](CC)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000076293117 345539408 /nfs/dbraw/zinc/53/94/08/345539408.db2.gz KCXHRFOPEQCGPU-UHFFFAOYSA-N 1 0 276.424 3.144 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H](CCCO)c2ccccc2)cc1 ZINC000077467390 345573669 /nfs/dbraw/zinc/57/36/69/345573669.db2.gz DJWJAWVWSIYONE-IBGZPJMESA-N 1 0 298.430 3.356 20 10 CGCDRO C[C@@H]1CC[C@@H]([N@H+](C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC000092874801 345860551 /nfs/dbraw/zinc/86/05/51/345860551.db2.gz URMXDUFBTRNPFG-CRAIPNDOSA-N 1 0 288.435 3.144 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCOC(C)(C)C2)c1O ZINC000184710649 346258338 /nfs/dbraw/zinc/25/83/38/346258338.db2.gz QXLNIBWXIXFTHW-GFCCVEGCSA-N 1 0 299.798 3.101 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCOC2CCCC2)c1 ZINC000104432537 186000333 /nfs/dbraw/zinc/00/03/33/186000333.db2.gz ACZXQENVXSHWAQ-ZDUSSCGKSA-N 1 0 263.381 3.310 20 10 CGCDRO C[C@H]([NH2+][C@@H](CO)CC1CCC1)c1cc(Cl)ccc1O ZINC000281272535 299350019 /nfs/dbraw/zinc/35/00/19/299350019.db2.gz XCPPHYNPTQOBRF-GXFFZTMASA-N 1 0 283.799 3.247 20 10 CGCDRO CC[C@H]([NH2+]CC(C)(C)[C@H](O)C(C)C)c1ccccc1O ZINC000156910401 261134973 /nfs/dbraw/zinc/13/49/73/261134973.db2.gz XPWPMQSZRRZMOE-GOEBONIOSA-N 1 0 279.424 3.476 20 10 CGCDRO CS[C@H]1CCC[C@H]([NH2+]Cc2ccccc2O)C1 ZINC000117395289 370590334 /nfs/dbraw/zinc/59/03/34/370590334.db2.gz GBKZHNPHNFKRKL-STQMWFEESA-N 1 0 251.395 3.156 20 10 CGCDRO CS[C@@H](C)C[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000134937456 371378766 /nfs/dbraw/zinc/37/87/66/371378766.db2.gz SULJUKLYSYLUPA-IUCAKERBSA-N 1 0 259.802 3.448 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1CCCSC1)c1ccc(F)c(F)c1[O-] ZINC000286859628 371564077 /nfs/dbraw/zinc/56/40/77/371564077.db2.gz AZLOZXLYDIJFEW-VHSXEESVSA-N 1 0 287.375 3.464 20 10 CGCDRO CC[C@@H]([NH2+]CCCn1ccnc1)c1ccc(N(C)C)cc1 ZINC000151131310 371573856 /nfs/dbraw/zinc/57/38/56/371573856.db2.gz FPRBAUGQLIPXAH-QGZVFWFLSA-N 1 0 286.423 3.080 20 10 CGCDRO C[C@@H]([NH2+]CC1=CCCOC1)c1cc2c(cc1O)CCCC2 ZINC000287039371 371592945 /nfs/dbraw/zinc/59/29/45/371592945.db2.gz MGQUQDQZZBBDPR-CYBMUJFWSA-N 1 0 287.403 3.268 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](C3CC3)C2)cc1OC ZINC000288697904 371743837 /nfs/dbraw/zinc/74/38/37/371743837.db2.gz UICLSVLBJLRKIC-ZDUSSCGKSA-N 1 0 291.391 3.031 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCOC(C)(C)C2)c(O)c1 ZINC000159972333 372200284 /nfs/dbraw/zinc/20/02/84/372200284.db2.gz UHUNUFNPUQXPGC-QWHCGFSZSA-N 1 0 263.381 3.309 20 10 CGCDRO Cc1ncc([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2)c(C)n1 ZINC000160537727 372256471 /nfs/dbraw/zinc/25/64/71/372256471.db2.gz VQSBYIIYVGMDDP-GFCCVEGCSA-N 1 0 284.407 3.010 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC2CC(F)(F)C2)c1 ZINC000293788317 372482890 /nfs/dbraw/zinc/48/28/90/372482890.db2.gz UHCKTIXZEFFDSJ-VIFPVBQESA-N 1 0 271.307 3.097 20 10 CGCDRO Oc1ccc(-c2ccccc2)cc1C[N@H+]1CCC[C@H](O)CC1 ZINC000293924041 372526266 /nfs/dbraw/zinc/52/62/66/372526266.db2.gz GXZMBJPSUSNYSI-SFHVURJKSA-N 1 0 297.398 3.406 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CCCSC1)c1cc(F)ccc1O ZINC000168817548 372620714 /nfs/dbraw/zinc/62/07/14/372620714.db2.gz QEGGUCMKOAPCES-KOLCDFICSA-N 1 0 255.358 3.078 20 10 CGCDRO C[C@@H]([NH2+]C[C@](C)(O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000169136073 372625595 /nfs/dbraw/zinc/62/55/95/372625595.db2.gz STJKBXRVEOWLTN-BEFAXECRSA-N 1 0 298.430 3.311 20 10 CGCDRO CC[C@@H](CCO)C[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000294770520 372669982 /nfs/dbraw/zinc/66/99/82/372669982.db2.gz NFVNTTKVLPLYFF-KBPBESRZSA-N 1 0 265.397 3.068 20 10 CGCDRO CO[C@H](C[NH2+]Cc1cc(C)ccc1O)Cc1ccccc1 ZINC000294765523 372670804 /nfs/dbraw/zinc/67/08/04/372670804.db2.gz JOCKTJZOKIPEKT-KRWDZBQOSA-N 1 0 285.387 3.048 20 10 CGCDRO Cc1cccnc1CCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000295025662 372686392 /nfs/dbraw/zinc/68/63/92/372686392.db2.gz NMBILRJKPDFXSO-UHFFFAOYSA-N 1 0 282.387 3.047 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2ccnc(C(F)(F)F)c2)c1 ZINC000295133714 372693784 /nfs/dbraw/zinc/69/37/84/372693784.db2.gz YMQBIDVHCIWBJZ-UHFFFAOYSA-N 1 0 296.292 3.404 20 10 CGCDRO CO[C@@H](C[NH2+][C@@H]1CCc2cccc(O)c21)c1ccccc1 ZINC000295880220 372946018 /nfs/dbraw/zinc/94/60/18/372946018.db2.gz HQYKFRWQWDIHSP-WBVHZDCISA-N 1 0 283.371 3.357 20 10 CGCDRO COc1ccccc1CC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000295891892 372950159 /nfs/dbraw/zinc/95/01/59/372950159.db2.gz IDYRRQKXNABGFU-OAHLLOKOSA-N 1 0 283.371 3.220 20 10 CGCDRO CC[C@H]([NH2+]C[C@H](C)CCCO)c1cccc(Cl)c1[O-] ZINC000296331576 373093396 /nfs/dbraw/zinc/09/33/96/373093396.db2.gz HJEQIFPOFVDIML-RISCZKNCSA-N 1 0 285.815 3.495 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H](C)CCCCO)cc1 ZINC000296450538 373139253 /nfs/dbraw/zinc/13/92/53/373139253.db2.gz MRZBKBDIVTWUTB-CABCVRRESA-N 1 0 278.440 3.344 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](C)CCCO)c(O)c1C ZINC000296462319 373142423 /nfs/dbraw/zinc/14/24/23/373142423.db2.gz NIHPMMAQFIIFNO-BXUZGUMPSA-N 1 0 265.397 3.068 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+][C@@H]1[C@@H]3CCO[C@@H]3C13CCCC3)CC2 ZINC000296672067 373216777 /nfs/dbraw/zinc/21/67/77/373216777.db2.gz FXRWBFRMBXHWIJ-JFTQMJAMSA-N 1 0 299.414 3.317 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CC[C@@H](CO)C1)c1cc2c(cc1O)CCCC2 ZINC000296579484 373184857 /nfs/dbraw/zinc/18/48/57/373184857.db2.gz UFMLETWHZVNUAV-IOASZLSFSA-N 1 0 289.419 3.083 20 10 CGCDRO Cc1noc(C)c1[C@@H](C)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296819353 373248451 /nfs/dbraw/zinc/24/84/51/373248451.db2.gz MDJNMOXTRRFCMC-HZMBPMFUSA-N 1 0 286.375 3.378 20 10 CGCDRO CC[N@H+](CCc1nccs1)Cc1cc(F)ccc1O ZINC000180221933 373978593 /nfs/dbraw/zinc/97/85/93/373978593.db2.gz OGJOIDPLVUMLRQ-UHFFFAOYSA-N 1 0 280.368 3.052 20 10 CGCDRO CC(C)(C)Oc1ccc(C[NH2+]Cc2ccccc2O)cn1 ZINC000180893022 374057443 /nfs/dbraw/zinc/05/74/43/374057443.db2.gz PIZBTOMQXDWXBK-UHFFFAOYSA-N 1 0 286.375 3.254 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2ccccc2O)cn1 ZINC000183433550 374413504 /nfs/dbraw/zinc/41/35/04/374413504.db2.gz WWHWGIZXEZJASB-AWEZNQCLSA-N 1 0 299.418 3.484 20 10 CGCDRO C[C@@H]([NH2+][C@@H](CCO)C1CCCCC1)c1ccccc1O ZINC000183569236 374428208 /nfs/dbraw/zinc/42/82/08/374428208.db2.gz UATRWSASOURWFA-CJNGLKHVSA-N 1 0 277.408 3.374 20 10 CGCDRO CCC(CC)(C[NH2+][C@@H](C)c1ccccc1O)C(=O)OC ZINC000183880753 374468530 /nfs/dbraw/zinc/46/85/30/374468530.db2.gz FOHYFUCGRQJFPG-LBPRGKRZSA-N 1 0 279.380 3.022 20 10 CGCDRO CCOCc1ccccc1C[NH2+]Cc1cc(F)ccc1O ZINC000226583826 376366615 /nfs/dbraw/zinc/36/66/15/376366615.db2.gz DAXMBHXGVLRJBE-UHFFFAOYSA-N 1 0 289.350 3.358 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@H]2CCCSC2)c(O)c1 ZINC000267224931 378033209 /nfs/dbraw/zinc/03/32/09/378033209.db2.gz UKJCKHAGQOKYAJ-ZDUSSCGKSA-N 1 0 281.421 3.166 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H](C)[C@@H](O)c2cccc(F)c2)c1 ZINC000267236966 378034526 /nfs/dbraw/zinc/03/45/26/378034526.db2.gz WUECBOVGBOVRGG-SJKOYZFVSA-N 1 0 289.350 3.051 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]CCCC(F)(F)F)c1 ZINC000266515504 378023399 /nfs/dbraw/zinc/02/33/99/378023399.db2.gz CYMQULNYRDKMMU-UHFFFAOYSA-N 1 0 277.286 3.223 20 10 CGCDRO Cc1ccc([C@@H](O)C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000268808160 378116918 /nfs/dbraw/zinc/11/69/18/378116918.db2.gz SNOSSHMMRHVQBM-KXBFYZLASA-N 1 0 298.430 3.445 20 10 CGCDRO Cc1ccc([C@@H](O)C[NH2+][C@H](C)c2ccc(N(C)C)cc2)o1 ZINC000269059193 378183411 /nfs/dbraw/zinc/18/34/11/378183411.db2.gz SWCWATFCIDKMGR-CJNGLKHVSA-N 1 0 288.391 3.038 20 10 CGCDRO Cc1cc(C[NH2+][C@H](C)c2ccccn2)ccc1N(C)C ZINC000271471317 378495442 /nfs/dbraw/zinc/49/54/42/378495442.db2.gz IWFJHKIUIKJTCX-CQSZACIVSA-N 1 0 269.392 3.307 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)c1O ZINC000271799956 378504402 /nfs/dbraw/zinc/50/44/02/378504402.db2.gz IPFMWEJRZXNVOZ-CABCVRRESA-N 1 0 277.408 3.384 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H]2CCO[C@@H](CC(C)C)C2)c1 ZINC000272019983 378547458 /nfs/dbraw/zinc/54/74/58/378547458.db2.gz RQESKDCSKUTRMF-HOTGVXAUSA-N 1 0 277.408 3.384 20 10 CGCDRO CC(C)[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cc(F)ccc2O)CCO1 ZINC000273354388 378742081 /nfs/dbraw/zinc/74/20/81/378742081.db2.gz CHIVCOPXFDRKBH-RBOXIYTFSA-N 1 0 281.371 3.386 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(N(C)C)nc2)c(O)c1C ZINC000273402581 378744412 /nfs/dbraw/zinc/74/44/12/378744412.db2.gz NNZKNFPSYZNSSW-AWEZNQCLSA-N 1 0 299.418 3.321 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccccc2)c(O)c1C ZINC000273433927 378745072 /nfs/dbraw/zinc/74/50/72/378745072.db2.gz WLPIMCSPTCFJLW-WMLDXEAASA-N 1 0 285.387 3.393 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CC2(C)CCOCC2)c(O)c1C ZINC000273486942 378750584 /nfs/dbraw/zinc/75/05/84/378750584.db2.gz NMHVWYCLNIHPIE-AWEZNQCLSA-N 1 0 277.408 3.476 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H](CO)c2ccc(F)cc2)c(O)c1 ZINC000273517933 378750673 /nfs/dbraw/zinc/75/06/73/378750673.db2.gz SXEJMZVTDGYBAQ-BLLLJJGKSA-N 1 0 289.350 3.224 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCO[C@H](C)C1)c1cc2c(cc1O)CCCC2 ZINC000273544101 378752584 /nfs/dbraw/zinc/75/25/84/378752584.db2.gz YZXIVIGYCCWHGL-WWGRRREGSA-N 1 0 289.419 3.489 20 10 CGCDRO C[C@@H]([NH2+]CCOCC1CC1)c1cc(Cl)ccc1O ZINC000273586918 378753564 /nfs/dbraw/zinc/75/35/64/378753564.db2.gz OAGJYJKXJHCWJW-SNVBAGLBSA-N 1 0 269.772 3.123 20 10 CGCDRO CSC[C@H](C)[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000273577866 378754215 /nfs/dbraw/zinc/75/42/15/378754215.db2.gz MBGSJKSEITUUEP-JQWIXIFHSA-N 1 0 253.411 3.411 20 10 CGCDRO CCCC[N@H+](CCCCCO)Cc1ccccc1O ZINC000282392344 379910791 /nfs/dbraw/zinc/91/07/91/379910791.db2.gz GXQPDEJTZWYBHY-UHFFFAOYSA-N 1 0 265.397 3.157 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)c1c(F)cncc1F ZINC000285707424 380152323 /nfs/dbraw/zinc/15/23/23/380152323.db2.gz PHEQEMDYOOZZNH-VHSXEESVSA-N 1 0 278.302 3.477 20 10 CGCDRO CC[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccc(F)cc1[O-] ZINC000285972835 380155334 /nfs/dbraw/zinc/15/53/34/380155334.db2.gz GDFSBOBZSJBRPQ-OAHLLOKOSA-N 1 0 294.414 3.304 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCc3cn[nH]c32)c(O)c1C ZINC000363865390 382258594 /nfs/dbraw/zinc/25/85/94/382258594.db2.gz NDIWTQCLLHPRQC-WFASDCNBSA-N 1 0 285.391 3.460 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCc3nc[nH]c3C2)cc1 ZINC000368105562 382365475 /nfs/dbraw/zinc/36/54/75/382365475.db2.gz UDYAHSXMSPDCHZ-DZGCQCFKSA-N 1 0 298.434 3.074 20 10 CGCDRO COc1cccc(C[N@@H+]2CCC[C@H]2C2CCC2)c1O ZINC000092781095 392233023 /nfs/dbraw/zinc/23/30/23/392233023.db2.gz WJRCMUYEMUGKQX-AWEZNQCLSA-N 1 0 261.365 3.165 20 10 CGCDRO COc1cccc(C[NH2+]C(C2CCC2)C2CCC2)c1O ZINC000285544773 392324233 /nfs/dbraw/zinc/32/42/33/392324233.db2.gz QVSBCGHPLUNCTD-UHFFFAOYSA-N 1 0 275.392 3.459 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)cc1C ZINC000121211269 392410675 /nfs/dbraw/zinc/41/06/75/392410675.db2.gz JNUGQZMJLGZTGU-AWEZNQCLSA-N 1 0 285.391 3.112 20 10 CGCDRO [O-]c1c(Cl)cccc1C[NH2+]CCC[NH+]1CCCCC1 ZINC000124672868 392435410 /nfs/dbraw/zinc/43/54/10/392435410.db2.gz XDGPMDZLVLLEIL-UHFFFAOYSA-N 1 0 282.815 3.011 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCCn2cccn2)cc1 ZINC000127009389 392444684 /nfs/dbraw/zinc/44/46/84/392444684.db2.gz VLTVBEFIVATPAH-OAHLLOKOSA-N 1 0 286.423 3.080 20 10 CGCDRO Oc1ccc2ccccc2c1C[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000372176460 392591130 /nfs/dbraw/zinc/59/11/30/392591130.db2.gz SESAFGJLLRIVJM-HOTGVXAUSA-N 1 0 297.398 3.404 20 10 CGCDRO C[C@H]([NH2+]CC1CCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000177776701 392667647 /nfs/dbraw/zinc/66/76/47/392667647.db2.gz MRYZIAHPBQBULO-ZDUSSCGKSA-N 1 0 292.398 3.113 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CCCc2nn(C)cc21)c1ccc(N(C)C)cc1 ZINC000280286118 287068534 /nfs/dbraw/zinc/06/85/34/287068534.db2.gz YXZRBQKQVUEZQI-DYVFJYSZSA-N 1 0 298.434 3.214 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccc3c(c2)OCO3)c1 ZINC000035628792 172308478 /nfs/dbraw/zinc/30/84/78/172308478.db2.gz AYYHRUSAGLFPLD-LBPRGKRZSA-N 1 0 285.343 3.280 20 10 CGCDRO Fc1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000037362643 173151978 /nfs/dbraw/zinc/15/19/78/173151978.db2.gz NLLLKLWFFQYIFU-UHFFFAOYSA-N 1 0 257.308 3.050 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2CCCOC2)cc1 ZINC000038044450 174051983 /nfs/dbraw/zinc/05/19/83/174051983.db2.gz WIXGDYMGOQUXQW-INIZCTEOSA-N 1 0 276.424 3.049 20 10 CGCDRO CC[C@H]([NH2+]Cc1c(C)noc1C)c1ccccc1O ZINC000092329202 260269443 /nfs/dbraw/zinc/26/94/43/260269443.db2.gz ZSNJXXAEMFYZSJ-AWEZNQCLSA-N 1 0 260.337 3.238 20 10 CGCDRO CC(=O)Nc1ccc(CC[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000154176237 261088780 /nfs/dbraw/zinc/08/87/80/261088780.db2.gz BAEVKBPRQMRNLZ-CYBMUJFWSA-N 1 0 298.386 3.244 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCO[C@H](C2CC2)C1)c1ccccc1O ZINC000158130362 261159114 /nfs/dbraw/zinc/15/91/14/261159114.db2.gz BZQDUGISPBIISC-QRTARXTBSA-N 1 0 275.392 3.391 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCOC(C)(C)C2)cc1C ZINC000160457592 261214531 /nfs/dbraw/zinc/21/45/31/261214531.db2.gz TUJCUGYWRMADRJ-AWEZNQCLSA-N 1 0 263.381 3.056 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H](C)COC)cc1 ZINC000178668922 261755212 /nfs/dbraw/zinc/75/52/12/261755212.db2.gz OLVQRMTWKULLEF-ZIAGYGMSSA-N 1 0 264.413 3.076 20 10 CGCDRO C[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1ccc(F)cc1[O-] ZINC000184944450 262034988 /nfs/dbraw/zinc/03/49/88/262034988.db2.gz QECMIIFZNDSZLA-HWPZZCPQSA-N 1 0 293.313 3.055 20 10 CGCDRO C[C@@H]([NH2+]C[C@H](O)c1ccccc1F)c1cc(F)ccc1O ZINC000185096287 262041477 /nfs/dbraw/zinc/04/14/77/262041477.db2.gz PTMVGFGEKDNDBG-HWPZZCPQSA-N 1 0 293.313 3.055 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCOC2CCCC2)c1 ZINC000185240635 262047805 /nfs/dbraw/zinc/04/78/05/262047805.db2.gz QOCXBHNQBUZPEQ-ZDUSSCGKSA-N 1 0 293.407 3.401 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(C)cc2O)cc1O ZINC000185300956 262048890 /nfs/dbraw/zinc/04/88/90/262048890.db2.gz AQJFZUFUEPFBMK-LBPRGKRZSA-N 1 0 287.359 3.266 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c(O)c1 ZINC000185534827 262058735 /nfs/dbraw/zinc/05/87/35/262058735.db2.gz RQFOJULHAJJZBZ-JMGFVUJMSA-N 1 0 275.392 3.165 20 10 CGCDRO C[C@@H](O)C[C@@H](C)C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000185521626 262058956 /nfs/dbraw/zinc/05/89/56/262058956.db2.gz MKIITKRAJXRFPI-MCIONIFRSA-N 1 0 291.435 3.329 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCC(=O)OC(C)(C)C)c1 ZINC000185540222 262059406 /nfs/dbraw/zinc/05/94/06/262059406.db2.gz MFRRQOVTNRHIQX-LBPRGKRZSA-N 1 0 279.380 3.083 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](OC)C(C)(C)C)c1 ZINC000185617684 262062570 /nfs/dbraw/zinc/06/25/70/262062570.db2.gz BFLRDRNJLJGHQV-XHDPSFHLSA-N 1 0 281.396 3.113 20 10 CGCDRO Cc1ccc(O)c(C[NH+]2CCC(O)(c3ccccc3)CC2)c1 ZINC000185637418 262063583 /nfs/dbraw/zinc/06/35/83/262063583.db2.gz JRTQBFFFCRZVFV-UHFFFAOYSA-N 1 0 297.398 3.184 20 10 CGCDRO C[C@@H](CCCO)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000185689424 262066561 /nfs/dbraw/zinc/06/65/61/262066561.db2.gz MDYZHJHRKRVXCU-STQMWFEESA-N 1 0 277.408 3.083 20 10 CGCDRO COC[C@H]([NH2+][C@H](C)c1cc(Cl)ccc1O)C1CC1 ZINC000186153376 262082052 /nfs/dbraw/zinc/08/20/52/262082052.db2.gz UZNHGQPEQKZDOV-RNCFNFMXSA-N 1 0 269.772 3.121 20 10 CGCDRO C/C=C/C[C@H](CO)[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000186512111 262096558 /nfs/dbraw/zinc/09/65/58/262096558.db2.gz OUOXLDQVJZESJJ-ISBNUJHVSA-N 1 0 269.772 3.023 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC[C@@H]2CCCCO2)c1 ZINC000186515179 262316138 /nfs/dbraw/zinc/31/61/38/262316138.db2.gz NBSTYAGMBKKOHE-KGLIPLIRSA-N 1 0 263.381 3.310 20 10 CGCDRO COc1ccc(C[NH2+]Cc2cccc(OC)c2O)cc1C ZINC000237242467 262627016 /nfs/dbraw/zinc/62/70/16/262627016.db2.gz BUWMKCDBOVSVDH-UHFFFAOYSA-N 1 0 287.359 3.008 20 10 CGCDRO C[C@H]([NH2+][C@@H](C)[C@H](O)c1cccc(F)c1)c1ccccc1O ZINC000272903411 263009824 /nfs/dbraw/zinc/00/98/24/263009824.db2.gz VIWCYCFGXSMNCL-PRXAMGSTSA-N 1 0 289.350 3.304 20 10 CGCDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccccc1O ZINC000272919514 263010032 /nfs/dbraw/zinc/01/00/32/263010032.db2.gz XXRUOKBXRFQMSP-LBPRGKRZSA-N 1 0 286.331 3.194 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CC[C@H]2CCO[C@@H](C)C2)cc1C ZINC000273042667 263011653 /nfs/dbraw/zinc/01/16/53/263011653.db2.gz IWEIQZXWEIHLFV-GJZGRUSLSA-N 1 0 277.408 3.304 20 10 CGCDRO C[C@@H]([NH2+]CCF)c1ccc(N2CCCCC2)cc1 ZINC000280984656 263065629 /nfs/dbraw/zinc/06/56/29/263065629.db2.gz JHQSAXMUOJSGJO-CYBMUJFWSA-N 1 0 250.361 3.297 20 10 CGCDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cccc(O)c32)C12CCC2 ZINC000297834007 276346854 /nfs/dbraw/zinc/34/68/54/276346854.db2.gz RYIYUTVWBRSGDQ-FVQBIDKESA-N 1 0 287.403 3.317 20 10 CGCDRO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)C12CCC2 ZINC000297834012 276353833 /nfs/dbraw/zinc/35/38/33/276353833.db2.gz RYIYUTVWBRSGDQ-VNQPRFMTSA-N 1 0 287.403 3.317 20 10 CGCDRO CC(C)C[C@H](CCO)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297576417 279121300 /nfs/dbraw/zinc/12/13/00/279121300.db2.gz GYLDFRXVUOGFHK-ZFWWWQNUSA-N 1 0 277.408 3.014 20 10 CGCDRO C[C@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1O)c1ccc(N(C)C)cc1 ZINC000268802330 279528957 /nfs/dbraw/zinc/52/89/57/279528957.db2.gz BMCHVTFAQBPGQF-FASAQXTFSA-N 1 0 296.414 3.062 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)CN2CCCCC2)c1 ZINC000037154409 301654102 /nfs/dbraw/zinc/65/41/02/301654102.db2.gz VZJZQLGSLHLNDP-LSDHHAIUSA-N 1 0 276.424 3.226 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCCC[C@@H]2c2cc[nH]n2)c1O ZINC000289562247 328255481 /nfs/dbraw/zinc/25/54/81/328255481.db2.gz RWCXUDIGCYQSSR-OAHLLOKOSA-N 1 0 271.364 3.151 20 10 CGCDRO c1cc(C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)cc2c1OCC2 ZINC000403706230 327341355 /nfs/dbraw/zinc/34/13/55/327341355.db2.gz DSUWIDMLWPSMCK-IVMMDQJWSA-N 1 0 257.377 3.147 20 10 CGCDRO CCOc1cccc(C[NH2+]C23CCC(CC2)C3)c1O ZINC000371754682 328958616 /nfs/dbraw/zinc/95/86/16/328958616.db2.gz VCOFSMMNKYBMTP-UHFFFAOYSA-N 1 0 261.365 3.213 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c1 ZINC000377835314 329031208 /nfs/dbraw/zinc/03/12/08/329031208.db2.gz SKFGOSHKAYMXNQ-HZPDHXFCSA-N 1 0 289.419 3.339 20 10 CGCDRO C[C@H]([NH2+]C[C@@H](n1cccn1)C(F)(F)F)c1ccccc1O ZINC000527929685 330297246 /nfs/dbraw/zinc/29/72/46/330297246.db2.gz FAQZDNQLGYIGBI-GXFFZTMASA-N 1 0 299.296 3.043 20 10 CGCDRO C[C@H]([NH2+]CC12CC(C1)CO2)c1ccc2ccccc2c1O ZINC000527985023 330298510 /nfs/dbraw/zinc/29/85/10/330298510.db2.gz WZNRDFKEWPXHEU-ZVLZOBCMSA-N 1 0 283.371 3.375 20 10 CGCDRO Cc1ccc(O)c(C[NH+]2CCC(C(F)(F)F)CC2)c1 ZINC000156053344 330715801 /nfs/dbraw/zinc/71/58/01/330715801.db2.gz XAJKXKRIBFBBMZ-UHFFFAOYSA-N 1 0 273.298 3.475 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)cc1 ZINC000246827798 334270132 /nfs/dbraw/zinc/27/01/32/334270132.db2.gz GNJKCXWYNXDXIO-GVDBMIGSSA-N 1 0 288.435 3.046 20 10 CGCDRO C[C@H]([NH2+][C@@H](C)c1ccc2ccccc2c1O)c1nncn1C ZINC000273598060 334767825 /nfs/dbraw/zinc/76/78/25/334767825.db2.gz RCQSLIVYBHOYOI-RYUDHWBXSA-N 1 0 296.374 3.086 20 10 CGCDRO COC[C@H]([NH2+]Cc1c(C)c2ccccc2n1C)C1CC1 ZINC000358981490 335809966 /nfs/dbraw/zinc/80/99/66/335809966.db2.gz IUWGEGYVRWTSOF-HNNXBMFYSA-N 1 0 272.392 3.001 20 10 CGCDRO CCN(CC)[C@H](C)C[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000280168846 520858772 /nfs/dbraw/zinc/85/87/72/520858772.db2.gz RBWPDVOFZOVDER-KGLIPLIRSA-N 1 0 264.413 3.082 20 10 CGCDRO CC(C)([NH2+]Cc1ccccc1O)c1ccccc1[N+](=O)[O-] ZINC000291828609 519323284 /nfs/dbraw/zinc/32/32/84/519323284.db2.gz ZYSBKOIVBSUQMD-UHFFFAOYSA-N 1 0 286.331 3.325 20 10 CGCDRO CC(C)CCOCC[NH2+][C@H](C)c1ccccc1O ZINC000045093938 519668868 /nfs/dbraw/zinc/66/88/68/519668868.db2.gz PGUWTFBISSZYRY-CYBMUJFWSA-N 1 0 251.370 3.106 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCC2(O)CCC2)cc1 ZINC000284502742 520286817 /nfs/dbraw/zinc/28/68/17/520286817.db2.gz XSNVGDLZSHEIEK-AWEZNQCLSA-N 1 0 276.424 3.098 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]Cc2conc2C)cc1F ZINC000293537941 520907277 /nfs/dbraw/zinc/90/72/77/520907277.db2.gz JYYZSASQSLXAMY-UHFFFAOYSA-N 1 0 291.370 3.258 20 10 CGCDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccc(C)cc2O)C1 ZINC000281035475 521139613 /nfs/dbraw/zinc/13/96/13/521139613.db2.gz NKAAFKCUVKWVGL-MJBXVCDLSA-N 1 0 291.391 3.083 20 10 CGCDRO CCOc1cccc(C[N@H+](C)C(C)(C)CC)c1O ZINC000211414650 521331247 /nfs/dbraw/zinc/33/12/47/521331247.db2.gz OCXZYSYDKHPUFY-UHFFFAOYSA-N 1 0 251.370 3.411 20 10 CGCDRO CC[C@H]([NH2+]Cc1cccnc1)c1ccc(C)cc1O ZINC000280060215 522661115 /nfs/dbraw/zinc/66/11/15/522661115.db2.gz KFKALSUQZPEMAX-HNNXBMFYSA-N 1 0 256.349 3.337 20 10 CGCDRO CC[C@@H]([NH2+]C[C@](C)(OC)C1CC1)c1ccccc1O ZINC000291226144 522869406 /nfs/dbraw/zinc/86/94/06/522869406.db2.gz NUHWIMYASPPBJW-ZBFHGGJFSA-N 1 0 263.381 3.248 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](CCO)C(C)C)c1ccc(N(C)C)cc1 ZINC000123629580 522920583 /nfs/dbraw/zinc/92/05/83/522920583.db2.gz RYKAQVYSZJDZQJ-SJORKVTESA-N 1 0 278.440 3.200 20 10 CGCDRO CC[C@@H]([NH2+][C@H]1CCCOCC1)c1ccc(C)cc1O ZINC000280239252 522948580 /nfs/dbraw/zinc/94/85/80/522948580.db2.gz VXUOQPJYQUBASV-DZGCQCFKSA-N 1 0 263.381 3.310 20 10 CGCDRO COCc1ccc(C[N@H+](C)Cc2ccc(N(C)C)cc2)o1 ZINC000269379050 522970883 /nfs/dbraw/zinc/97/08/83/522970883.db2.gz WYZVEATZBXNCPB-UHFFFAOYSA-N 1 0 288.391 3.124 20 10 CGCDRO CO[C@@H](C)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000188127815 523419748 /nfs/dbraw/zinc/41/97/48/523419748.db2.gz VPMWKYAMRLOZNV-GJZGRUSLSA-N 1 0 276.424 3.362 20 10 CGCDRO Cc1cccc(C[NH2+][C@H]2c3ccccc3O[C@@H]2C)c1O ZINC000290275073 524440231 /nfs/dbraw/zinc/44/02/31/524440231.db2.gz YIUYYIFMVBOAFJ-MLGOLLRUSA-N 1 0 269.344 3.312 20 10 CGCDRO Cc1cccc(C[NH2+][C@H]2c3ccccc3O[C@H]2C)c1O ZINC000290275064 524440879 /nfs/dbraw/zinc/44/08/79/524440879.db2.gz YIUYYIFMVBOAFJ-BLLLJJGKSA-N 1 0 269.344 3.312 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)c1 ZINC000278423275 524744425 /nfs/dbraw/zinc/74/44/25/524744425.db2.gz RXEJSTCVCZJVSC-JTQLQIEISA-N 1 0 289.297 3.175 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCc2ccsc2)c1 ZINC000049152666 524764190 /nfs/dbraw/zinc/76/41/90/524764190.db2.gz JLECUYCGTDNLRR-LLVKDONJSA-N 1 0 277.389 3.356 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+]C[C@H]2CCOC[C@@H]2C)c1O ZINC000289842848 524868344 /nfs/dbraw/zinc/86/83/44/524868344.db2.gz URECFNRBELWDKR-NWDGAFQWSA-N 1 0 283.799 3.116 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)CCc2ccco2)c1 ZINC000071406620 525351523 /nfs/dbraw/zinc/35/15/23/525351523.db2.gz IPUAGGNLDHQPIR-ZDUSSCGKSA-N 1 0 259.349 3.405 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CC2(C)CCOCC2)c(O)c1C ZINC000273486945 525722064 /nfs/dbraw/zinc/72/20/64/525722064.db2.gz NMHVWYCLNIHPIE-CQSZACIVSA-N 1 0 277.408 3.476 20 10 CGCDRO COc1cccc(C[N@@H+]2CC(C)(C)[C@@H]2C2CC2)c1O ZINC000291523988 525932519 /nfs/dbraw/zinc/93/25/19/525932519.db2.gz JKZNHWMVAHLEIG-HNNXBMFYSA-N 1 0 261.365 3.021 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H](CCO)c2ccco2)c(O)c1C ZINC000274707872 525943086 /nfs/dbraw/zinc/94/30/86/525943086.db2.gz ZRWCGWUHFMRIRZ-DZGCQCFKSA-N 1 0 289.375 3.376 20 10 CGCDRO COc1cccc(C[NH2+]C2(c3ccccc3F)CC2)c1O ZINC000076766659 526011873 /nfs/dbraw/zinc/01/18/73/526011873.db2.gz KWAOTWYKEFTDHE-UHFFFAOYSA-N 1 0 287.334 3.319 20 10 CGCDRO Oc1cccc(Cl)c1C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000129995666 526362389 /nfs/dbraw/zinc/36/23/89/526362389.db2.gz XIWOMEQVUPQNPQ-LLVKDONJSA-N 1 0 281.783 3.047 20 10 CGCDRO OCC[C@@H]([NH2+][C@H]1CCc2cccc(O)c21)c1ccccc1 ZINC000297926469 527562020 /nfs/dbraw/zinc/56/20/20/527562020.db2.gz XKCJOVUQSNJIPZ-CVEARBPZSA-N 1 0 283.371 3.093 20 10 CGCDRO c1cc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)co1 ZINC000727467400 571747404 /nfs/dbraw/zinc/74/74/04/571747404.db2.gz WFYQHJGNYAXNDM-UHFFFAOYSA-N 1 0 288.416 3.123 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(N(CC)CC)cc1)[C@H]1CCOC1 ZINC000742380382 572351966 /nfs/dbraw/zinc/35/19/66/572351966.db2.gz IBFFHCMIWZFUPB-WMZOPIPTSA-N 1 0 290.451 3.438 20 10 CGCDRO OCC[C@@H]([NH2+]Cc1cc(-c2ccccc2)ccc1O)C1CC1 ZINC000741259398 572490836 /nfs/dbraw/zinc/49/08/36/572490836.db2.gz XTRLMXGMGYPYBC-GOSISDBHSA-N 1 0 297.398 3.310 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H](C)COc2ccccc2)c1 ZINC000733327054 572556317 /nfs/dbraw/zinc/55/63/17/572556317.db2.gz MGJUTIYYIHNAIP-CQSZACIVSA-N 1 0 271.360 3.258 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C2(C)CCCC2)cc1F ZINC000733327034 572556538 /nfs/dbraw/zinc/55/65/38/572556538.db2.gz LICLRUKGCPSZFB-UHFFFAOYSA-N 1 0 250.361 3.314 20 10 CGCDRO CCCC[C@@H](C(=O)OC)[N@H+](CCC)Cc1ccccc1O ZINC000743870584 572694527 /nfs/dbraw/zinc/69/45/27/572694527.db2.gz YEOHTVLXLVCOIX-HNNXBMFYSA-N 1 0 293.407 3.336 20 10 CGCDRO COc1cccc(C[NH2+][C@H](C)Cc2cccc(F)c2)c1O ZINC000735509141 572727012 /nfs/dbraw/zinc/72/70/12/572727012.db2.gz WAGOXXCGHZLBOU-GFCCVEGCSA-N 1 0 289.350 3.261 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](CC(C)C)C2)cc1OC ZINC000160329153 617969126 /nfs/dbraw/zinc/96/91/26/617969126.db2.gz OZFSPOFGJRGFBF-ZDUSSCGKSA-N 1 0 293.407 3.277 20 10 CGCDRO COC[C@H]1CCC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000160193982 617615496 /nfs/dbraw/zinc/61/54/96/617615496.db2.gz PGAOLWWMAMMAFC-AWEZNQCLSA-N 1 0 289.419 3.129 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1CCC(C)(C)O1)c1ccc(N(C)C)cc1 ZINC000187845342 617738656 /nfs/dbraw/zinc/73/86/56/617738656.db2.gz JITIRKXGTYXKCF-BBRMVZONSA-N 1 0 276.424 3.361 20 10 CGCDRO COC[C@@H]([NH2+]Cc1cc(Cl)ccc1O)c1ccco1 ZINC000177574409 617934544 /nfs/dbraw/zinc/93/45/44/617934544.db2.gz BAIDPPUMYNXRSD-GFCCVEGCSA-N 1 0 281.739 3.116 20 10 CGCDRO CCC(C)(C)OCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000308744844 618385540 /nfs/dbraw/zinc/38/55/40/618385540.db2.gz QVOKUQYXDHQFQJ-CYBMUJFWSA-N 1 0 263.381 3.174 20 10 CGCDRO C[C@H]1CC[C@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000309046366 618617897 /nfs/dbraw/zinc/61/78/97/618617897.db2.gz NKRLLAVJLWJUDJ-GZMMTYOYSA-N 1 0 270.170 3.043 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cn2c(n1)CCCC2 ZINC000924574436 618856723 /nfs/dbraw/zinc/85/67/23/618856723.db2.gz NPUPYALPBQQDQE-CQSZACIVSA-N 1 0 298.434 3.136 20 10 CGCDRO CS[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000310928864 618878737 /nfs/dbraw/zinc/87/87/37/618878737.db2.gz BSTPUCNPJMYTHD-YNEHKIRRSA-N 1 0 263.406 3.253 20 10 CGCDRO CC(C)(C)[C@@H]1CC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC000163868960 618891696 /nfs/dbraw/zinc/89/16/96/618891696.db2.gz PTNVGHDMOJYAPW-GFCCVEGCSA-N 1 0 251.345 3.399 20 10 CGCDRO COc1cc(Cl)cc(C[N@@H+]2C[C@@H](C)C[C@@H]2C)c1O ZINC000169084537 618915510 /nfs/dbraw/zinc/91/55/10/618915510.db2.gz UNDOEAWMQTZYJS-UWVGGRQHSA-N 1 0 269.772 3.285 20 10 CGCDRO CC(C)C[C@@H](CO)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000185114156 625304478 /nfs/dbraw/zinc/30/44/78/625304478.db2.gz UCLKJKLEVGNJMC-BBRMVZONSA-N 1 0 291.435 3.329 20 10 CGCDRO C[C@@H]1SCC[C@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000309847250 618996815 /nfs/dbraw/zinc/99/68/15/618996815.db2.gz VBSIHJNXFOUNMB-GZMMTYOYSA-N 1 0 257.786 3.029 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C[C@H](C)Cc2ccccc2)c1 ZINC000182062786 619032200 /nfs/dbraw/zinc/03/22/00/619032200.db2.gz MBRLGTIRGMPHOP-CQSZACIVSA-N 1 0 285.387 3.369 20 10 CGCDRO C[C@H]([NH2+]CCN(C)c1ccccc1)c1cc(F)ccc1O ZINC000184952200 619056661 /nfs/dbraw/zinc/05/66/61/619056661.db2.gz FKHUBZOAFUEREA-ZDUSSCGKSA-N 1 0 288.366 3.318 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCC(=O)OC(C)(C)C)c(O)c1 ZINC000185540523 619062533 /nfs/dbraw/zinc/06/25/33/619062533.db2.gz WFGOMMYCZLPADI-GFCCVEGCSA-N 1 0 279.380 3.083 20 10 CGCDRO Oc1ccccc1C[NH2+]Cc1cscc1Cl ZINC000310033414 619074816 /nfs/dbraw/zinc/07/48/16/619074816.db2.gz RZCKIHDTYWQENM-UHFFFAOYSA-N 1 0 253.754 3.397 20 10 CGCDRO CC[C@@H](C[C@H](C)CO)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000776219515 619117299 /nfs/dbraw/zinc/11/72/99/619117299.db2.gz OTFPZABMZRKCNA-CABZTGNLSA-N 1 0 289.778 3.071 20 10 CGCDRO CC[C@@H](C[C@H](C)CO)[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000776220679 619117575 /nfs/dbraw/zinc/11/75/75/619117575.db2.gz YRTLAMYAPHXNGH-HZMBPMFUSA-N 1 0 285.815 3.241 20 10 CGCDRO CC(C)[C@@H](C[NH2+][C@@H](C)c1ccccc1O)c1ccnn1C ZINC000788260101 619122435 /nfs/dbraw/zinc/12/24/35/619122435.db2.gz SWLSCVBQDMRCJD-DZGCQCFKSA-N 1 0 287.407 3.216 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2Cc3ccccc3O2)c1 ZINC000314593332 619126675 /nfs/dbraw/zinc/12/66/75/619126675.db2.gz RDFAXMIBBANKOX-WFASDCNBSA-N 1 0 299.370 3.055 20 10 CGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@H](C)CCn1cccn1 ZINC000194979184 619144712 /nfs/dbraw/zinc/14/47/12/619144712.db2.gz WULWYANFYOFIAP-OAHLLOKOSA-N 1 0 286.423 3.037 20 10 CGCDRO CCCN(Cc1cnn(CCC)c1)c1ccc(C[NH3+])cc1 ZINC000194978719 619144892 /nfs/dbraw/zinc/14/48/92/619144892.db2.gz YXSWCHCEDMVQGI-UHFFFAOYSA-N 1 0 286.423 3.168 20 10 CGCDRO CCC1(O)CCC([NH2+]Cc2ccc(N(C)C)cc2C)CC1 ZINC000840937403 619227850 /nfs/dbraw/zinc/22/78/50/619227850.db2.gz SMQRFPHWXBODTA-UHFFFAOYSA-N 1 0 290.451 3.234 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2COc3ccccc3O2)c1 ZINC000314461327 619229663 /nfs/dbraw/zinc/22/96/63/619229663.db2.gz LAEBMLPMXYWJHF-KGLIPLIRSA-N 1 0 299.370 3.191 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)COC(C)C)cc1 ZINC000800223182 619233838 /nfs/dbraw/zinc/23/38/38/619233838.db2.gz UIIJNFITQYFLFZ-HNNXBMFYSA-N 1 0 278.440 3.436 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@H+]1CCSCC[C@H]1C ZINC000840941809 619234141 /nfs/dbraw/zinc/23/41/41/619234141.db2.gz MLBOQOGHDZNKRJ-CQSZACIVSA-N 1 0 278.465 3.388 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2ccc(N(C)C)cc2)cc1[N+](=O)[O-] ZINC000061030437 619279955 /nfs/dbraw/zinc/27/99/55/619279955.db2.gz SWVOFVYWUKHYPI-UHFFFAOYSA-N 1 0 299.374 3.259 20 10 CGCDRO CC[C@H]([NH2+]Cc1c(O)cc(C)cc1Cl)[C@@H](O)C(C)C ZINC000840969094 619293170 /nfs/dbraw/zinc/29/31/70/619293170.db2.gz YDFNQMYYAPZUCT-ZFWWWQNUSA-N 1 0 285.815 3.239 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CC[C@@H](C3CCC3)C2)c(O)c1 ZINC000840976762 619308425 /nfs/dbraw/zinc/30/84/25/619308425.db2.gz FLDMPCNLWQSJFZ-CQSZACIVSA-N 1 0 275.392 3.413 20 10 CGCDRO Cc1ccncc1C[NH2+][C@H](C)Cc1ccc(N(C)C)cc1C ZINC000840977081 619308568 /nfs/dbraw/zinc/30/85/68/619308568.db2.gz QSFLXSCTQQRDQS-MRXNPFEDSA-N 1 0 297.446 3.485 20 10 CGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1c(C)ccnc1N ZINC000893870959 619325611 /nfs/dbraw/zinc/32/56/11/619325611.db2.gz HJAAEKNGGJKGFS-UHFFFAOYSA-N 1 0 298.434 3.060 20 10 CGCDRO C[C@@H]([NH2+]CCN1CCCC[C@@H]1C)c1cc(F)ccc1O ZINC000248516830 619380852 /nfs/dbraw/zinc/38/08/52/619380852.db2.gz PBKXEQLHDNDKGO-QWHCGFSZSA-N 1 0 280.387 3.056 20 10 CGCDRO CC[C@H]([NH2+]Cc1cc(C)cc(OC)c1O)c1ccncc1 ZINC000894291035 619468474 /nfs/dbraw/zinc/46/84/74/619468474.db2.gz GTLNJJYCQHTLDO-HNNXBMFYSA-N 1 0 286.375 3.345 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cnc(F)cc2C)c1 ZINC000894501794 619558790 /nfs/dbraw/zinc/55/87/90/619558790.db2.gz HSTOSKRLMJHWTF-LLVKDONJSA-N 1 0 290.338 3.094 20 10 CGCDRO CCCC[C@@H](C)[N@H+](C)Cc1ccc(OC)c(OC)c1O ZINC000894557345 619571046 /nfs/dbraw/zinc/57/10/46/619571046.db2.gz YWKKPQIDEHBMFA-GFCCVEGCSA-N 1 0 281.396 3.420 20 10 CGCDRO COc1ccc(C[NH+](C2CCC2)C2CCC2)c(O)c1OC ZINC000894593278 619586527 /nfs/dbraw/zinc/58/65/27/619586527.db2.gz SNVJVBJNFCXKKZ-UHFFFAOYSA-N 1 0 291.391 3.316 20 10 CGCDRO COc1ccc(C[N@@H+]2CC(C)(C)C[C@@H]2C)c(O)c1OC ZINC000894923222 619684529 /nfs/dbraw/zinc/68/45/29/619684529.db2.gz UFARFVXGFQOSMR-NSHDSACASA-N 1 0 279.380 3.030 20 10 CGCDRO CN(C)c1ccc(C[NH2+]Cc2cnc(Cl)s2)cc1F ZINC000895155807 619759377 /nfs/dbraw/zinc/75/93/77/619759377.db2.gz OMLVCYUNWKOJBM-UHFFFAOYSA-N 1 0 299.802 3.291 20 10 CGCDRO COc1cc(C)cc(C[NH2+]C[C@H]2C(C)(C)C2(F)F)c1O ZINC000895328723 619805813 /nfs/dbraw/zinc/80/58/13/619805813.db2.gz YCLOWWINCIZLCE-LBPRGKRZSA-N 1 0 285.334 3.090 20 10 CGCDRO COc1cc(C)cc(C[NH2+]CC2(OC(C)C)CCC2)c1O ZINC000895475556 619835920 /nfs/dbraw/zinc/83/59/20/619835920.db2.gz WNTZMATYWBMAGM-UHFFFAOYSA-N 1 0 293.407 3.147 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]C(C)(C)[C@H](O)c2ccccc2)c1 ZINC000895657796 619865015 /nfs/dbraw/zinc/86/50/15/619865015.db2.gz DGPVKEVRYKMMNR-QGZVFWFLSA-N 1 0 285.387 3.302 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000895841579 619891925 /nfs/dbraw/zinc/89/19/25/619891925.db2.gz CXODFKSGUABEOI-AEFFLSMTSA-N 1 0 288.435 3.062 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H]([C@H]3CCCO3)C2)cc1Cl ZINC000895841569 619892247 /nfs/dbraw/zinc/89/22/47/619892247.db2.gz CSGYCARCMSSWRK-MLGOLLRUSA-N 1 0 295.810 3.355 20 10 CGCDRO Cc1cnc(C[NH2+][C@H](C)c2ccc(C)cc2O)s1 ZINC000185569278 625385943 /nfs/dbraw/zinc/38/59/43/625385943.db2.gz OFONZMUANXWEEY-LLVKDONJSA-N 1 0 262.378 3.316 20 10 CGCDRO Oc1ccc(F)cc1CN[C@H]1c2ccccc2OC[C@H]1F ZINC000896423489 620007160 /nfs/dbraw/zinc/00/71/60/620007160.db2.gz SHLYDGFZJLCDHQ-CJNGLKHVSA-N 1 0 291.297 3.093 20 10 CGCDRO Cc1nc2c(cccc2CC[NH2+]Cc2ccc(C)cc2O)o1 ZINC000896887925 620086907 /nfs/dbraw/zinc/08/69/07/620086907.db2.gz AZUOLWAPLUNPPL-UHFFFAOYSA-N 1 0 296.370 3.483 20 10 CGCDRO CCc1cccc(C[NH+]2CCC(O)(C3CCC3)CC2)c1O ZINC000897036218 620123935 /nfs/dbraw/zinc/12/39/35/620123935.db2.gz VWXUNHADYOBTOZ-UHFFFAOYSA-N 1 0 289.419 3.082 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)c1O ZINC000897081353 620135341 /nfs/dbraw/zinc/13/53/41/620135341.db2.gz NSQKFMQTGKCTNC-SJORKVTESA-N 1 0 289.419 3.249 20 10 CGCDRO CCCN(CC)CC[NH2+][C@H](C)c1cc(C)ccc1O ZINC000185631535 625399419 /nfs/dbraw/zinc/39/94/19/625399419.db2.gz CPNTYHQCHDYZGX-CQSZACIVSA-N 1 0 264.413 3.083 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CC(C)(C)C2CCOCC2)cc1 ZINC000897452743 620338555 /nfs/dbraw/zinc/33/85/55/620338555.db2.gz ZZXARGXODVPHKN-UHFFFAOYSA-N 1 0 290.451 3.295 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)c1ccc(Cl)cc1O)[C@@H](O)C(C)C ZINC000841756270 620402598 /nfs/dbraw/zinc/40/25/98/620402598.db2.gz SLFCTSCRXXNXOI-DGFSRKRXSA-N 1 0 285.815 3.492 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C2CC3(C2)CO[C@@H](C)C3)cc1C ZINC000897781321 620430400 /nfs/dbraw/zinc/43/04/00/620430400.db2.gz VEKNPHBPEOUUIY-KTAKPFMOSA-N 1 0 275.392 3.056 20 10 CGCDRO COc1cccc(O)c1C[NH2+]CC[C@H]1CCC(F)(F)C1 ZINC000898019395 620467712 /nfs/dbraw/zinc/46/77/12/620467712.db2.gz LJPXQWBYVZOHFP-LLVKDONJSA-N 1 0 285.334 3.316 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](c2ccncc2)C2CC2)c1 ZINC000898325116 620507067 /nfs/dbraw/zinc/50/70/67/620507067.db2.gz MMDWCPDZSHGOFR-GOSISDBHSA-N 1 0 298.386 3.427 20 10 CGCDRO CC[C@H]([NH2+]C[C@](C)(CC)OC)c1ccccc1O ZINC000322750341 620523618 /nfs/dbraw/zinc/52/36/18/620523618.db2.gz CDFXBTFPKWFFFU-ZFWWWQNUSA-N 1 0 251.370 3.248 20 10 CGCDRO COc1cc(C[N@@H+]2CC[C@@H]3CCC[C@@H]32)c(O)cc1C ZINC000902651276 621392704 /nfs/dbraw/zinc/39/27/04/621392704.db2.gz DOHLUOGRYCUNFR-JSGCOSHPSA-N 1 0 261.365 3.084 20 10 CGCDRO C[C@@H]([NH2+]Cc1cn(C)cn1)c1ccc(N2CCCCC2)cc1 ZINC000903351916 621710172 /nfs/dbraw/zinc/71/01/72/621710172.db2.gz RFOPGHWZMMFHPR-OAHLLOKOSA-N 1 0 298.434 3.261 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](O)Cc2ccccc2)c(O)c1 ZINC000186147820 625522541 /nfs/dbraw/zinc/52/25/41/625522541.db2.gz RGKBPTWPRNGHBM-RLFYNMQTSA-N 1 0 299.414 3.343 20 10 CGCDRO CCCN(CCC)c1ccc(CN[C@H](C)[C@H](C)[NH3+])cc1 ZINC000841082168 622275729 /nfs/dbraw/zinc/27/57/29/622275729.db2.gz WOUYBEQMKDLFGE-LSDHHAIUSA-N 1 0 277.456 3.138 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCS2)c(O)c1 ZINC000149710244 622375178 /nfs/dbraw/zinc/37/51/78/622375178.db2.gz VDXKELWGZAKALD-RYUDHWBXSA-N 1 0 251.395 3.247 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCCOC[C@H]2C)cc1 ZINC000769458244 625569837 /nfs/dbraw/zinc/56/98/37/625569837.db2.gz ZPSZXOQQQWAXDB-OAHLLOKOSA-N 1 0 276.424 3.144 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)CC2CCSCC2)cc1 ZINC000876511254 622735136 /nfs/dbraw/zinc/73/51/36/622735136.db2.gz CBYCPVHBTWOKMR-UHFFFAOYSA-N 1 0 278.465 3.328 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H]1CCCCO1)c1ccc(N(C)C)cc1 ZINC000156415765 622817784 /nfs/dbraw/zinc/81/77/84/622817784.db2.gz QMLBLLSUIQHLTI-DLBZAZTESA-N 1 0 276.424 3.362 20 10 CGCDRO CS[C@@H]1CC[C@@H]([NH2+]Cc2cccc(C)c2O)C1 ZINC000224879774 622889829 /nfs/dbraw/zinc/88/98/29/622889829.db2.gz OAMCRAVNDWRWMW-CHWSQXEVSA-N 1 0 251.395 3.074 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1CCCCS1)c1cc(F)ccc1O ZINC000158033126 622994446 /nfs/dbraw/zinc/99/44/46/622994446.db2.gz FVSRFIWIPZNHLC-JQWIXIFHSA-N 1 0 269.385 3.468 20 10 CGCDRO Cc1cccc(C[NH2+]C[C@]2(N(C)C)CCC[C@@H](C)C2)c1O ZINC000158118957 623008648 /nfs/dbraw/zinc/00/86/48/623008648.db2.gz QVUHLHRNVYJQOJ-KDOFPFPSSA-N 1 0 290.451 3.301 20 10 CGCDRO COc1cccc(C[NH2+]CCCC2CCCC2)c1O ZINC000227435761 623019446 /nfs/dbraw/zinc/01/94/46/623019446.db2.gz HHZVWZXRIJVWIN-UHFFFAOYSA-N 1 0 263.381 3.461 20 10 CGCDRO C[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1ccccc1O ZINC000060942112 623083122 /nfs/dbraw/zinc/08/31/22/623083122.db2.gz PZKJKZWJCMPRKP-LBPRGKRZSA-N 1 0 259.324 3.252 20 10 CGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@H](O)Cc1ccccc1 ZINC000170779251 623099079 /nfs/dbraw/zinc/09/90/79/623099079.db2.gz MBNCUSOLLXBRNK-GOSISDBHSA-N 1 0 299.414 3.208 20 10 CGCDRO COc1ccc(O)c(C[NH2+]Cc2ccc([C@@H]3C[C@@H]3C)o2)c1 ZINC000172015646 623207763 /nfs/dbraw/zinc/20/77/63/623207763.db2.gz DLIUZFQMSDKVEX-XHDPSFHLSA-N 1 0 287.359 3.407 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCC(F)(F)F)c1 ZINC000063098748 623296617 /nfs/dbraw/zinc/29/66/17/623296617.db2.gz WNLMFMKFLIYTCO-MRVPVSSYSA-N 1 0 263.259 3.004 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCc2ccccc2)cc1C ZINC000174239840 623374516 /nfs/dbraw/zinc/37/45/16/623374516.db2.gz MQFNGZULHLHYQD-UHFFFAOYSA-N 1 0 255.361 3.341 20 10 CGCDRO COC(C)(C)C[C@H](C)[NH2+]Cc1cc(Cl)ccc1O ZINC000174555870 623404734 /nfs/dbraw/zinc/40/47/34/623404734.db2.gz HKCVRVYYHAGHQZ-JTQLQIEISA-N 1 0 271.788 3.339 20 10 CGCDRO CC[C@@H](COC)[NH2+][C@@H](CC)c1ccc(N(C)C)cc1 ZINC000152926565 623735919 /nfs/dbraw/zinc/73/59/19/623735919.db2.gz AKXAIBFZSVBDDM-HOCLYGCPSA-N 1 0 264.413 3.218 20 10 CGCDRO CC[N@H+](Cc1ccc(N2CCOCC2)cc1)C1CCCC1 ZINC000153671492 624016134 /nfs/dbraw/zinc/01/61/34/624016134.db2.gz LZTPBCQXDVKNJE-UHFFFAOYSA-N 1 0 288.435 3.288 20 10 CGCDRO CCOC[C@H]([NH2+]Cc1ccc(OC)c(C)c1)C(C)C ZINC000233779138 624646070 /nfs/dbraw/zinc/64/60/70/624646070.db2.gz WPNIIAVFSOXSBU-HNNXBMFYSA-N 1 0 265.397 3.154 20 10 CGCDRO C[C@H](Cc1ccc(O)cc1)[N@H+](C)Cc1cc(F)ccc1O ZINC000180138001 624721273 /nfs/dbraw/zinc/72/12/73/624721273.db2.gz KNJPULXGOJRNAY-GFCCVEGCSA-N 1 0 289.350 3.300 20 10 CGCDRO CCCCC[N@H+](CCCOC)Cc1ccccc1O ZINC000180878654 624780747 /nfs/dbraw/zinc/78/07/47/624780747.db2.gz GZEULPIUXMPWCO-UHFFFAOYSA-N 1 0 265.397 3.421 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)c1O ZINC000181924419 624912833 /nfs/dbraw/zinc/91/28/33/624912833.db2.gz JODPMHJWNKRMFI-SFHVURJKSA-N 1 0 297.398 3.144 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@H](C)c2cccc(C#N)c2)c1 ZINC000181965988 624922174 /nfs/dbraw/zinc/92/21/74/624922174.db2.gz JUWPVLBLXSGMLI-GFCCVEGCSA-N 1 0 282.343 3.123 20 10 CGCDRO COc1cc(Cl)cc(C[N@@H+]2CCCC2(C)C)c1O ZINC000184686197 625261536 /nfs/dbraw/zinc/26/15/36/625261536.db2.gz IPZMMIJSOBCLIH-UHFFFAOYSA-N 1 0 269.772 3.429 20 10 CGCDRO COc1cc(Cl)cc(C[NH+]2CCCCCC2)c1O ZINC000184671811 625262085 /nfs/dbraw/zinc/26/20/85/625262085.db2.gz JOLPELDNYBRYGZ-UHFFFAOYSA-N 1 0 269.772 3.430 20 10 CGCDRO Oc1ccccc1C[NH2+]Cc1nc2ccccc2n1C1CC1 ZINC000184777525 625270901 /nfs/dbraw/zinc/27/09/01/625270901.db2.gz WNVCOMUVCFWIEB-UHFFFAOYSA-N 1 0 293.370 3.367 20 10 CGCDRO COc1cc(C[N@@H+]2CCCC3(CC3)C2)c(O)cc1C ZINC000184860151 625277362 /nfs/dbraw/zinc/27/73/62/625277362.db2.gz ODEGQFUQJHEUJW-UHFFFAOYSA-N 1 0 261.365 3.085 20 10 CGCDRO CN(C)c1cccc(C[NH2+]Cc2ccc3c(c2)CCCO3)c1 ZINC000921685232 625831514 /nfs/dbraw/zinc/83/15/14/625831514.db2.gz VXEOBJGDKBRLEK-UHFFFAOYSA-N 1 0 296.414 3.367 20 10 CGCDRO C[C@](CO)([NH2+]Cc1ccc2c(c1)CCCO2)c1ccccc1 ZINC000921746494 625862122 /nfs/dbraw/zinc/86/21/22/625862122.db2.gz ITIZYPMARXYWGA-LJQANCHMSA-N 1 0 297.398 3.009 20 10 CGCDRO C[C@@H]1C[C@H](CC[NH2+]Cc2ccc3c(c2)CCCO3)CCO1 ZINC000921990918 625955616 /nfs/dbraw/zinc/95/56/16/625955616.db2.gz RATWDAICAVEADR-HUUCEWRRSA-N 1 0 289.419 3.306 20 10 CGCDRO C[C@@H](C[NH2+]Cc1ccc2c(c1)CCCO2)c1nccs1 ZINC000921996061 625956750 /nfs/dbraw/zinc/95/67/50/625956750.db2.gz VNUNDDKTUBJRTN-LBPRGKRZSA-N 1 0 288.416 3.361 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCS[C@H](C)C2)cc1C ZINC000922838444 626056704 /nfs/dbraw/zinc/05/67/04/626056704.db2.gz ZHQDCGFSSYFSHC-OCCSQVGLSA-N 1 0 265.422 3.383 20 10 CGCDRO CC[C@@H]1C[N@H+](Cc2cc(C)cc(C)c2O)CCS1 ZINC000164428661 626086741 /nfs/dbraw/zinc/08/67/41/626086741.db2.gz NSHSEEVJPDGJSP-CQSZACIVSA-N 1 0 265.422 3.336 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]C[C@@]2(c3ccccc3)CCCO2)c1 ZINC000922959910 626106880 /nfs/dbraw/zinc/10/68/80/626106880.db2.gz INHOXBQQSXXUEE-LJQANCHMSA-N 1 0 297.398 3.496 20 10 CGCDRO CCC[C@H](C)[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839146290 626317093 /nfs/dbraw/zinc/31/70/93/626317093.db2.gz BKCOAJSEWUMFGL-LBPRGKRZSA-N 1 0 298.377 3.080 20 10 CGCDRO Cc1cc(O)c(C[NH+]2CC(CC(F)(F)F)C2)cc1C ZINC000839137211 626322361 /nfs/dbraw/zinc/32/23/61/626322361.db2.gz ADWAKWWRCHYSIG-UHFFFAOYSA-N 1 0 273.298 3.393 20 10 CGCDRO FC(F)C1C[NH+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000839137276 626322418 /nfs/dbraw/zinc/32/24/18/626322418.db2.gz CFHUQPVLGOFUTD-UHFFFAOYSA-N 1 0 280.362 3.374 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000839191997 626328550 /nfs/dbraw/zinc/32/85/50/626328550.db2.gz RRYALWMYMWOXJH-HKCMKHECSA-N 1 0 261.365 3.240 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C2(CCO)CCCCC2)cc1C ZINC000751153515 626377270 /nfs/dbraw/zinc/37/72/70/626377270.db2.gz QHRBPMJNVVXXLK-UHFFFAOYSA-N 1 0 277.408 3.184 20 10 CGCDRO CCc1cc(C[N@@H+]2CC[C@H](OC)C2)c(O)c(C(C)(C)C)c1 ZINC000751946992 626412818 /nfs/dbraw/zinc/41/28/18/626412818.db2.gz LVGQMERMXWHXHD-HNNXBMFYSA-N 1 0 291.435 3.473 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+][C@]2(C)CCO[C@@H]2C2CC2)c1O ZINC000753596043 626457546 /nfs/dbraw/zinc/45/75/46/626457546.db2.gz SMLHAORGTOBFCR-HZPDHXFCSA-N 1 0 295.810 3.401 20 10 CGCDRO COCC[C@@H](Cc1ccco1)[NH2+][C@@H](C)c1ccccc1O ZINC000753741311 626464248 /nfs/dbraw/zinc/46/42/48/626464248.db2.gz JWOKSVBLUSPLSQ-KBPBESRZSA-N 1 0 289.375 3.284 20 10 CGCDRO COc1ccc(N2CC[NH+](CCC(C)C)CC2)cc1F ZINC000753857544 626467835 /nfs/dbraw/zinc/46/78/35/626467835.db2.gz MZZBYMBXQLLUHR-UHFFFAOYSA-N 1 0 280.387 3.002 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@@H](N3CCCCC3)C2)c1 ZINC000754726959 626585182 /nfs/dbraw/zinc/58/51/82/626585182.db2.gz YHSRKCFBIRNMKG-QGZVFWFLSA-N 1 0 288.435 3.069 20 10 CGCDRO COc1cc(C)cc(C[NH+]2CCC(OC(C)C)CC2)c1O ZINC000754727081 626585206 /nfs/dbraw/zinc/58/52/06/626585206.db2.gz NQUHOLRTYOLILY-UHFFFAOYSA-N 1 0 293.407 3.099 20 10 CGCDRO COc1cc(C)cc(CN(CC(F)F)C(C)C)c1O ZINC000754740166 626585721 /nfs/dbraw/zinc/58/57/21/626585721.db2.gz JPKLXXVWMNKLIS-UHFFFAOYSA-N 1 0 273.323 3.185 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCN2Cc3ccccc3C2)c(O)c1 ZINC000756481394 626708199 /nfs/dbraw/zinc/70/81/99/626708199.db2.gz XMWBTJMVJAKTIK-OAHLLOKOSA-N 1 0 296.414 3.367 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C2CCN(C3CCC3)CC2)c(O)c1 ZINC000756491613 626709536 /nfs/dbraw/zinc/70/95/36/626709536.db2.gz WNMOSXHRFAOBCR-CQSZACIVSA-N 1 0 288.435 3.368 20 10 CGCDRO CCCCOCC[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000756504693 626710639 /nfs/dbraw/zinc/71/06/39/626710639.db2.gz QASXCZAVQQDKOB-AWEZNQCLSA-N 1 0 265.397 3.476 20 10 CGCDRO CCN(CC)C[C@@H](C)[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000756535567 626713470 /nfs/dbraw/zinc/71/34/70/626713470.db2.gz RDXPSXATRODKBW-UKRRQHHQSA-N 1 0 278.440 3.390 20 10 CGCDRO CCC[C@](C)(O)C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000756575632 626716932 /nfs/dbraw/zinc/71/69/32/626716932.db2.gz IHKHQYFQWUGEFH-UGSOOPFHSA-N 1 0 291.435 3.473 20 10 CGCDRO C[C@H]1C[C@@H]([NH2+]CCCC(C)(C)CO)c2c1c(F)ccc2O ZINC000756606006 626719854 /nfs/dbraw/zinc/71/98/54/626719854.db2.gz KNRGDASBFMWUTO-WCQYABFASA-N 1 0 295.398 3.468 20 10 CGCDRO C[C@H]1C[C@H]([NH2+]CCCC(C)(C)CO)c2c1c(F)ccc2O ZINC000756605999 626719918 /nfs/dbraw/zinc/71/99/18/626719918.db2.gz KNRGDASBFMWUTO-AAEUAGOBSA-N 1 0 295.398 3.468 20 10 CGCDRO COC(C)(C)C[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000756644368 626722158 /nfs/dbraw/zinc/72/21/58/626722158.db2.gz AWXBWKVZIMKCND-VIFPVBQESA-N 1 0 257.761 3.121 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](C)c2ccncc2)c1 ZINC000756636985 626722804 /nfs/dbraw/zinc/72/28/04/626722804.db2.gz YKTXEHKUDOTOQC-OLZOCXBDSA-N 1 0 286.375 3.250 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](CO)CC2)c2c1c(F)ccc2O ZINC000756644465 626724040 /nfs/dbraw/zinc/72/40/40/626724040.db2.gz ARQYGEGDEDQFPL-NMKXLXIOSA-N 1 0 293.382 3.220 20 10 CGCDRO Cc1ccsc1[C@@H](CO)[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000756735608 626728836 /nfs/dbraw/zinc/72/88/36/626728836.db2.gz GEEBLUSUCCLWTP-GXTWGEPZSA-N 1 0 291.416 3.455 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)CC2CCOCC2)c1 ZINC000756736973 626728886 /nfs/dbraw/zinc/72/88/86/626728886.db2.gz QQXNMRBOKGVKLP-OLZOCXBDSA-N 1 0 293.407 3.257 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]CCOC(C)(C)C)c2c1c(F)ccc2O ZINC000756817731 626734859 /nfs/dbraw/zinc/73/48/59/626734859.db2.gz NIIOHEKZUIFMCM-PWSUYJOCSA-N 1 0 281.371 3.484 20 10 CGCDRO C[N@H+](CCCOC(C)(C)C)Cc1ccccc1O ZINC000756858573 626738588 /nfs/dbraw/zinc/73/85/88/626738588.db2.gz AEWWAKHWXNLMHA-UHFFFAOYSA-N 1 0 251.370 3.029 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CN(C)Cc3ccccc32)cc1C ZINC000756994940 626746207 /nfs/dbraw/zinc/74/62/07/626746207.db2.gz GWKXEIUCBAXHKN-GOSISDBHSA-N 1 0 296.414 3.280 20 10 CGCDRO CC[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000840823259 626761259 /nfs/dbraw/zinc/76/12/59/626761259.db2.gz YWUKHNNHQPYTKA-CFVMTHIKSA-N 1 0 263.381 3.227 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CCOC(C)C)cc1F ZINC000758322862 626837233 /nfs/dbraw/zinc/83/72/33/626837233.db2.gz WSBUEPQJIHXBLJ-UHFFFAOYSA-N 1 0 282.403 3.187 20 10 CGCDRO COC(C)(C)C[N@H+](C)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000758405094 626842094 /nfs/dbraw/zinc/84/20/94/626842094.db2.gz LMXLAEDOGLGADL-UHFFFAOYSA-N 1 0 295.423 3.252 20 10 CGCDRO COc1cccc(C[NH2+]C(C)(C)c2ccc(C)nc2)c1O ZINC000759187600 626879250 /nfs/dbraw/zinc/87/92/50/626879250.db2.gz ZKUDKEFJNMRYSR-UHFFFAOYSA-N 1 0 286.375 3.129 20 10 CGCDRO CC[N@H+](CCC1CC1)Cc1cc(C)cc(OC)c1O ZINC000760537231 626977342 /nfs/dbraw/zinc/97/73/42/626977342.db2.gz DSBWMQSFAIXAOB-UHFFFAOYSA-N 1 0 263.381 3.331 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCN(CC)C2CC2)cc1 ZINC000765625550 627263681 /nfs/dbraw/zinc/26/36/81/627263681.db2.gz YBNXCFOHMLCCMI-HNNXBMFYSA-N 1 0 289.467 3.278 20 10 CGCDRO CCN(CC)c1ccc(C[NH+]2CCC(CCO)CC2)cc1 ZINC000768241609 627470563 /nfs/dbraw/zinc/47/05/63/627470563.db2.gz XNIYSNQCSKNTMH-UHFFFAOYSA-N 1 0 290.451 3.127 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CC[C@H]2c2ccccc2)cc1OC ZINC000768438664 627479770 /nfs/dbraw/zinc/47/97/70/627479770.db2.gz DJEAWBZAXWQRNN-HNNXBMFYSA-N 1 0 299.370 3.356 20 10 CGCDRO CCC1CC[NH+](Cc2cc(OC)c(C)cc2O)CC1 ZINC000768443187 627480514 /nfs/dbraw/zinc/48/05/14/627480514.db2.gz QZAQILJDVOKDHH-UHFFFAOYSA-N 1 0 263.381 3.331 20 10 CGCDRO C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1cc2c(cc1O)CCCC2 ZINC000768463965 627481199 /nfs/dbraw/zinc/48/11/99/627481199.db2.gz YCVPNHKGBNLERK-SUMWQHHRSA-N 1 0 289.419 3.006 20 10 CGCDRO Cc1cc(O)c(C[N@@H+](Cc2ccccc2)C[C@@H](C)O)cc1C ZINC000768893871 627506849 /nfs/dbraw/zinc/50/68/49/627506849.db2.gz UBJWDFGIUHMVHY-MRXNPFEDSA-N 1 0 299.414 3.392 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](C)CC2)c1 ZINC000769148812 627525704 /nfs/dbraw/zinc/52/57/04/627525704.db2.gz SJLDUJXZBKEQNO-ZDUSSCGKSA-N 1 0 263.381 3.413 20 10 CGCDRO CCOC[C@@H]1CCC[N@H+](Cc2ccc(OCC)cc2O)C1 ZINC000769423192 627551183 /nfs/dbraw/zinc/55/11/83/627551183.db2.gz PKTVEARNCGKAGQ-CQSZACIVSA-N 1 0 293.407 3.039 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CCS[C@@H](C)[C@H]2C)c(O)c1 ZINC000769445572 627552956 /nfs/dbraw/zinc/55/29/56/627552956.db2.gz GUFZBRUUUHZWOD-NEPJUHHUSA-N 1 0 281.421 3.117 20 10 CGCDRO CO[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000769450807 627554422 /nfs/dbraw/zinc/55/44/22/627554422.db2.gz HFSQLGLUJWBPHP-KRWDZBQOSA-N 1 0 283.371 3.280 20 10 CGCDRO C[C@@H]1C[C@H](C)[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000769470725 627557373 /nfs/dbraw/zinc/55/73/73/627557373.db2.gz OGOOKDCQRZUCNG-NEPJUHHUSA-N 1 0 250.361 3.122 20 10 CGCDRO CCc1noc(C)c1[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000769868100 627584954 /nfs/dbraw/zinc/58/49/54/627584954.db2.gz NYHNPSIFMHGCCM-LBPRGKRZSA-N 1 0 287.407 3.462 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](CO)c2ccsc2)c(O)c1C ZINC000769983997 627595281 /nfs/dbraw/zinc/59/52/81/627595281.db2.gz CAFSFVRGGAOOGT-WFASDCNBSA-N 1 0 291.416 3.455 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2ccc(N(C)C)c(F)c2)[C@@H]1C ZINC000770284226 627611463 /nfs/dbraw/zinc/61/14/63/627611463.db2.gz OBUTUVNUSPHCJL-VXGBXAGGSA-N 1 0 250.361 3.122 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CCCC[C@H](SC)C1 ZINC000770346141 627614212 /nfs/dbraw/zinc/61/42/12/627614212.db2.gz DCUXFPKAYCYYKU-LBPRGKRZSA-N 1 0 281.421 3.118 20 10 CGCDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2cc(C)ccc2O)C12CCC2 ZINC000770352218 627615152 /nfs/dbraw/zinc/61/51/52/627615152.db2.gz MXYUAXBKJNSDFN-IRXDYDNUSA-N 1 0 289.419 3.480 20 10 CGCDRO CC(C)OCC[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841755197 635228145 /nfs/dbraw/zinc/22/81/45/635228145.db2.gz XQKWMVYMMLXJLC-JTQLQIEISA-N 1 0 257.761 3.121 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C2CC3(CCC3)C2)cc1F ZINC000772876199 627830794 /nfs/dbraw/zinc/83/07/94/627830794.db2.gz SRJXWMHIEKHURI-UHFFFAOYSA-N 1 0 262.372 3.314 20 10 CGCDRO CCC[C@H]1C[N@H+](Cc2ccc(N(C)CC)cc2)CCO1 ZINC000773804744 627916617 /nfs/dbraw/zinc/91/66/17/627916617.db2.gz DKIZMXTZTFQXFR-KRWDZBQOSA-N 1 0 276.424 3.144 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H](OC(F)F)C2)cc1 ZINC000773830192 627917927 /nfs/dbraw/zinc/91/79/27/627917927.db2.gz FBFYVMSOHAUQKE-OAHLLOKOSA-N 1 0 298.377 3.346 20 10 CGCDRO CCN(C)c1ccc(C[NH2+][C@]2(C)CCO[C@H]2C2CC2)cc1 ZINC000773834143 627918835 /nfs/dbraw/zinc/91/88/35/627918835.db2.gz CIOFOYKIWUJCSN-ZWKOTPCHSA-N 1 0 288.435 3.190 20 10 CGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@H](C)C[C@@H]1CCOC1 ZINC000775139736 628067172 /nfs/dbraw/zinc/06/71/72/628067172.db2.gz GDCFHZWQHBZEKK-ZBFHGGJFSA-N 1 0 276.424 3.177 20 10 CGCDRO C[C@H]([NH2+]C[C@@H](O)c1c(F)cccc1F)c1ccccc1O ZINC000775137762 628067366 /nfs/dbraw/zinc/06/73/66/628067366.db2.gz YCOVZBITHUZELZ-ZUZCIYMTSA-N 1 0 293.313 3.055 20 10 CGCDRO CC(C)C[C@H]1OCCC[C@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000775370233 628087026 /nfs/dbraw/zinc/08/70/26/628087026.db2.gz MIQDRJKYNGCEAA-QZTJIDSGSA-N 1 0 290.451 3.436 20 10 CGCDRO CC[C@@H]([NH2+]CC1(C)COC1)c1cc(Cl)ccc1O ZINC000775503644 628101835 /nfs/dbraw/zinc/10/18/35/628101835.db2.gz LJLCRGJZGUNOGW-GFCCVEGCSA-N 1 0 269.772 3.123 20 10 CGCDRO CCC[C@H](O)C[NH2+][C@@H](CC)c1cc(Cl)ccc1O ZINC000775503635 628102058 /nfs/dbraw/zinc/10/20/58/628102058.db2.gz LEXMFPHZFGIRSN-AAEUAGOBSA-N 1 0 271.788 3.247 20 10 CGCDRO CC[C@H]([NH2+]C[C@](C)(O)C(C)C)c1cc(Cl)ccc1O ZINC000775503677 628102101 /nfs/dbraw/zinc/10/21/01/628102101.db2.gz MDUTYFYBVYXSSD-ZFWWWQNUSA-N 1 0 285.815 3.493 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)C[C@H]1CCOC1)c1ccccc1O ZINC000775514455 628103472 /nfs/dbraw/zinc/10/34/72/628103472.db2.gz WLZRVUVJPHPHPV-NFAWXSAZSA-N 1 0 263.381 3.248 20 10 CGCDRO CC[C@@H]([NH2+]CCNc1cccc(C)n1)c1ccccc1O ZINC000775526945 628104218 /nfs/dbraw/zinc/10/42/18/628104218.db2.gz OUESUTIAWCKYDR-OAHLLOKOSA-N 1 0 285.391 3.248 20 10 CGCDRO CC[C@H]([NH2+]CCc1ccn(C)n1)c1cc(Cl)ccc1O ZINC000775556392 628106373 /nfs/dbraw/zinc/10/63/73/628106373.db2.gz YHDAUDZNVADPLG-AWEZNQCLSA-N 1 0 293.798 3.063 20 10 CGCDRO COc1ccc(O)c(C[N@H+](C)Cc2ccsc2)c1 ZINC000775644126 628118199 /nfs/dbraw/zinc/11/81/99/628118199.db2.gz BORNMNVSOJYNKX-UHFFFAOYSA-N 1 0 263.362 3.094 20 10 CGCDRO CC[NH+](CC)[C@H]1CCN(Cc2cc(Cl)cc(C)c2O)C1 ZINC000775647881 628119150 /nfs/dbraw/zinc/11/91/50/628119150.db2.gz GGDPIGFLFQADFM-HNNXBMFYSA-N 1 0 296.842 3.270 20 10 CGCDRO COCC[N@H+](Cc1cccc(C)c1O)C1CCCC1 ZINC000775656468 628121133 /nfs/dbraw/zinc/12/11/33/628121133.db2.gz HHFWTFLXEKHDLM-UHFFFAOYSA-N 1 0 263.381 3.092 20 10 CGCDRO COCC[N@H+](CCc1ccccc1)Cc1cccc(C)c1O ZINC000775656657 628121275 /nfs/dbraw/zinc/12/12/75/628121275.db2.gz LVNMQHHLJRCCEL-UHFFFAOYSA-N 1 0 299.414 3.392 20 10 CGCDRO Cc1cccc(CN2CCC[N@@H+](C(C)(C)C)CC2)c1O ZINC000775665534 628123091 /nfs/dbraw/zinc/12/30/91/628123091.db2.gz RUIQGUYXYSFAML-UHFFFAOYSA-N 1 0 276.424 3.007 20 10 CGCDRO CC[C@@]1(C)CCC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000775701568 628127468 /nfs/dbraw/zinc/12/74/68/628127468.db2.gz SPXRZXWAWIFEAU-INIZCTEOSA-N 1 0 263.381 3.413 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H]2Cc2ccccc2)c1 ZINC000775725490 628129345 /nfs/dbraw/zinc/12/93/45/628129345.db2.gz PHLIATVWLMVRJG-INIZCTEOSA-N 1 0 283.371 3.218 20 10 CGCDRO CO[C@]1(C)C[C@H]([N@H+](C)Cc2cccc(C)c2O)C1(C)C ZINC000775735543 628130859 /nfs/dbraw/zinc/13/08/59/628130859.db2.gz RPYRJWYKFIKPLZ-WMLDXEAASA-N 1 0 277.408 3.336 20 10 CGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(OC)cn1 ZINC000775935233 628151432 /nfs/dbraw/zinc/15/14/32/628151432.db2.gz JIZUVSSWMWHFLY-UHFFFAOYSA-N 1 0 299.418 3.178 20 10 CGCDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)cc2C)C1(C)C ZINC000776159656 628172578 /nfs/dbraw/zinc/17/25/78/628172578.db2.gz YUOJANJHGARBIX-IRXDYDNUSA-N 1 0 290.451 3.354 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CC[C@@H]3CCC[C@@H]3C2)c1 ZINC000776175324 628176634 /nfs/dbraw/zinc/17/66/34/628176634.db2.gz PITMXSTWOVFZJQ-GZBFAFLISA-N 1 0 275.392 3.459 20 10 CGCDRO COc1cc(F)cc(C[NH2+]Cc2cc(Cl)ccc2O)c1 ZINC000776251917 628184568 /nfs/dbraw/zinc/18/45/68/628184568.db2.gz CNBLOLCPINEWQE-UHFFFAOYSA-N 1 0 295.741 3.483 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@H]2C2CCOCC2)c1 ZINC000776775405 628231134 /nfs/dbraw/zinc/23/11/34/628231134.db2.gz ASZMLJSXPUQBDE-KRWDZBQOSA-N 1 0 289.419 3.400 20 10 CGCDRO C[C@H]([NH2+][C@@H](C)C(C)(C)O)c1ccc(N2CCCCC2)cc1 ZINC000776903374 628239420 /nfs/dbraw/zinc/23/94/20/628239420.db2.gz XPWVNSINXYSIHV-GJZGRUSLSA-N 1 0 290.451 3.487 20 10 CGCDRO COC(=O)c1cc2ccccc2c(C[N@H+]2CC=CCC2)c1O ZINC000778578016 628359726 /nfs/dbraw/zinc/35/97/26/628359726.db2.gz ZDFQNFFMXOQMKR-UHFFFAOYSA-N 1 0 297.354 3.094 20 10 CGCDRO C[C@@H]1Cc2ccccc2C[N@@H+]1Cc1cc(F)ccc1O ZINC000779025767 628384254 /nfs/dbraw/zinc/38/42/54/628384254.db2.gz HSJOWMIHJCGDLE-GFCCVEGCSA-N 1 0 271.335 3.478 20 10 CGCDRO CC[C@@]1(O)CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000779220145 628394885 /nfs/dbraw/zinc/39/48/85/628394885.db2.gz YJPDWXHMVWFUEU-GOSISDBHSA-N 1 0 288.435 3.024 20 10 CGCDRO CC[C@@]1(O)CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000779217830 628394908 /nfs/dbraw/zinc/39/49/08/628394908.db2.gz CMOGAMUIHUYTMM-LJQANCHMSA-N 1 0 297.398 3.406 20 10 CGCDRO COc1ccc(N2CCC([NH2+][C@H]3CC[C@@H]3C)CC2)cc1 ZINC000783236905 628691989 /nfs/dbraw/zinc/69/19/89/628691989.db2.gz KTHOAYVLOIJSHK-GUYCJALGSA-N 1 0 274.408 3.052 20 10 CGCDRO CSc1cc(C[NH2+][C@@H](C)c2ccccc2O)ccn1 ZINC000783519448 628720634 /nfs/dbraw/zinc/72/06/34/628720634.db2.gz KUNVNZNZBLQGCH-NSHDSACASA-N 1 0 274.389 3.360 20 10 CGCDRO CSc1cc(C[NH2+][C@H](C)c2ccccc2O)ccn1 ZINC000783519447 628720969 /nfs/dbraw/zinc/72/09/69/628720969.db2.gz KUNVNZNZBLQGCH-LLVKDONJSA-N 1 0 274.389 3.360 20 10 CGCDRO Cc1cccc(C[N@H+]2Cc3ccccc3OC[C@H]2C)c1O ZINC000783598439 628730151 /nfs/dbraw/zinc/73/01/51/628730151.db2.gz RODRQSFHSKBSGD-CQSZACIVSA-N 1 0 283.371 3.484 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@H](CC(F)(F)F)C(C)C)c1 ZINC000783741965 628744665 /nfs/dbraw/zinc/74/46/65/628744665.db2.gz WKRKZUHBWHIIJH-GFCCVEGCSA-N 1 0 291.313 3.467 20 10 CGCDRO C[C@@H]1C[C@@H](CC[NH2+]Cc2ccc(N(C)C)c(F)c2)CCO1 ZINC000784643673 628826935 /nfs/dbraw/zinc/82/69/35/628826935.db2.gz NPJSMKXJYIGKEC-KGLIPLIRSA-N 1 0 294.414 3.187 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)[C@H]1CO ZINC000785984165 628906123 /nfs/dbraw/zinc/90/61/23/628906123.db2.gz HHJDNEYZOKWEHK-KDOFPFPSSA-N 1 0 297.398 3.262 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]C2(C)Cc3ccccc3C2)c1 ZINC000125396455 634693351 /nfs/dbraw/zinc/69/33/51/634693351.db2.gz LYSKRQMOLIBRDB-UHFFFAOYSA-N 1 0 297.398 3.438 20 10 CGCDRO CO[C@H](CC[NH2+]Cc1cc(C)c(C)cc1O)C(F)(F)F ZINC000786823344 628965553 /nfs/dbraw/zinc/96/55/53/628965553.db2.gz KPSWHVIHMQPMGP-CYBMUJFWSA-N 1 0 291.313 3.066 20 10 CGCDRO CO[C@H](CC[NH2+][C@@H](C)c1cc(F)ccc1O)C(F)(F)F ZINC000786950840 628972021 /nfs/dbraw/zinc/97/20/21/628972021.db2.gz RQWVDLGDDCGQFW-QPUJVOFHSA-N 1 0 295.276 3.149 20 10 CGCDRO COc1cc([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2)ccn1 ZINC000788504397 629060113 /nfs/dbraw/zinc/06/01/13/629060113.db2.gz PRABVDFZZIIJQI-ZDUSSCGKSA-N 1 0 285.391 3.007 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)[C@@]1(C)CCCO1 ZINC000788527024 629062383 /nfs/dbraw/zinc/06/23/83/629062383.db2.gz RTZYKQDUZKAMOK-CRAIPNDOSA-N 1 0 288.435 3.334 20 10 CGCDRO CCN(CC)C[C@H](C)[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000788589392 629066588 /nfs/dbraw/zinc/06/65/88/629066588.db2.gz QTRFNLRLOOELOV-LSDHHAIUSA-N 1 0 278.440 3.390 20 10 CGCDRO C[C@@H](O)CCC[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000789348170 629126567 /nfs/dbraw/zinc/12/65/67/629126567.db2.gz LSYGYFKGKSXQDV-CQSZACIVSA-N 1 0 289.375 3.148 20 10 CGCDRO Cc1c(F)nccc1C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000862274974 629335582 /nfs/dbraw/zinc/33/55/82/629335582.db2.gz IGKMEPGYKOYCJS-UHFFFAOYSA-N 1 0 291.345 3.024 20 10 CGCDRO c1csc(SCCC[NH2+]Cc2cnc(C3CC3)o2)n1 ZINC000862281698 629338501 /nfs/dbraw/zinc/33/85/01/629338501.db2.gz SVMJGBPBVZHOJE-UHFFFAOYSA-N 1 0 295.433 3.281 20 10 CGCDRO Oc1c(C[NH2+]CC[C@@H]2CCCOC2)ccc2ccccc21 ZINC000862434387 629371234 /nfs/dbraw/zinc/37/12/34/629371234.db2.gz YTVTUZHMGTXGNR-AWEZNQCLSA-N 1 0 285.387 3.452 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H](C)Cc2ccn(C(C)C)n2)c1 ZINC000862476177 629384345 /nfs/dbraw/zinc/38/43/45/629384345.db2.gz LCQWMKNVPCXXRR-CQSZACIVSA-N 1 0 287.407 3.199 20 10 CGCDRO COc1cccc2c1C[N@H+](Cc1cc(C)ccc1O)C2 ZINC000862529570 629392804 /nfs/dbraw/zinc/39/28/04/629392804.db2.gz NNTWEUDHJNYIGV-UHFFFAOYSA-N 1 0 269.344 3.225 20 10 CGCDRO CO[C@H]1CCC[C@@H]([NH2+]Cc2ccc3c(c2)CCCN3C)C1 ZINC000792942059 629396496 /nfs/dbraw/zinc/39/64/96/629396496.db2.gz IWIXWPIYIQODSO-SJORKVTESA-N 1 0 288.435 3.116 20 10 CGCDRO COc1cc(O)c(C[NH2+]C[C@@H]2CCCC23CC3)cc1OC ZINC000862547426 629399037 /nfs/dbraw/zinc/39/90/37/629399037.db2.gz FXQMAECOFGNSDC-ZDUSSCGKSA-N 1 0 291.391 3.079 20 10 CGCDRO C[C@@H]([NH2+]CCc1ccc2c[nH]nc2c1)c1ccccc1O ZINC000793566349 629484999 /nfs/dbraw/zinc/48/49/99/629484999.db2.gz FEWFLLSACOUTCK-GFCCVEGCSA-N 1 0 281.359 3.162 20 10 CGCDRO Cc1cc(C[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)ncn1 ZINC000794273693 629528298 /nfs/dbraw/zinc/52/82/98/629528298.db2.gz ALRRTDPIQGKLOB-UHFFFAOYSA-N 1 0 298.434 3.262 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCN(C)[C@@H](C)C1)c1ccc(C)cc1O ZINC000794802843 629578873 /nfs/dbraw/zinc/57/88/73/629578873.db2.gz OYANOLJYVWUYCM-LZWOXQAQSA-N 1 0 276.424 3.224 20 10 CGCDRO CC[C@H]([NH2+]C[C@]1(C)CCCO1)c1ccc(C)cc1O ZINC000794811602 629580202 /nfs/dbraw/zinc/58/02/02/629580202.db2.gz SBOJURACTYKKOL-HOCLYGCPSA-N 1 0 263.381 3.310 20 10 CGCDRO C[C@@H]([NH2+]Cc1cc(Br)ccc1O)C1CCC1 ZINC000119616136 629669242 /nfs/dbraw/zinc/66/92/42/629669242.db2.gz XNXCJAFZBQSWFI-SECBINFHSA-N 1 0 284.197 3.433 20 10 CGCDRO CCOC1CC(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000796011459 629735284 /nfs/dbraw/zinc/73/52/84/629735284.db2.gz LHMKCXNDPBIQRM-CBCUQQMYSA-N 1 0 276.424 3.218 20 10 CGCDRO COc1ccc(O)c(C[NH2+]Cc2ccc3occc3c2)c1 ZINC000796306485 629761978 /nfs/dbraw/zinc/76/19/78/629761978.db2.gz FHMDAGGCQBJHGW-UHFFFAOYSA-N 1 0 283.327 3.437 20 10 CGCDRO Cc1ccc([C@H](O)[C@@H](C)[NH2+]Cc2cc(C)ccc2O)cc1 ZINC000796483990 629789264 /nfs/dbraw/zinc/78/92/64/629789264.db2.gz MOACTFQFEVBXIK-RDTXWAMCSA-N 1 0 285.387 3.221 20 10 CGCDRO Cc1ccc([C@H](O)[C@H](C)[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000797056330 629878856 /nfs/dbraw/zinc/87/88/56/629878856.db2.gz BJNZODSOEWODHJ-QWQRMKEZSA-N 1 0 285.387 3.473 20 10 CGCDRO CC[C@H]([NH2+]C[C@H]1CCOC[C@@H]1C)c1ccc(C)cc1O ZINC000797086854 629883141 /nfs/dbraw/zinc/88/31/41/629883141.db2.gz QDZVGDISDVUBQS-LZWOXQAQSA-N 1 0 277.408 3.414 20 10 CGCDRO Cc1cccc(C[N@@H+]2CC[C@H](c3ccccn3)C2)c1O ZINC000798965263 630132153 /nfs/dbraw/zinc/13/21/53/630132153.db2.gz QOESGEOXDVZPGC-AWEZNQCLSA-N 1 0 268.360 3.085 20 10 CGCDRO COc1cccc(C[NH2+]CCc2ccc3[nH]ccc3c2)c1O ZINC000799348583 630172987 /nfs/dbraw/zinc/17/29/87/630172987.db2.gz IHLWFLDNKUTUFH-UHFFFAOYSA-N 1 0 296.370 3.214 20 10 CGCDRO Oc1ccccc1C[NH2+]CCc1ccc2[nH]ccc2c1 ZINC000799349077 630173181 /nfs/dbraw/zinc/17/31/81/630173181.db2.gz AIWRBTKTUFETNK-UHFFFAOYSA-N 1 0 266.344 3.206 20 10 CGCDRO CO[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(C)c(C)cc1O ZINC000799352082 630174399 /nfs/dbraw/zinc/17/43/99/630174399.db2.gz MUMVHPUGGXTMGS-HOCLYGCPSA-N 1 0 263.381 3.056 20 10 CGCDRO COc1ccc(C[NH2+]C[C@@H](O)c2cc(C)cc(C)c2)cc1C ZINC000800896230 630309794 /nfs/dbraw/zinc/30/97/94/630309794.db2.gz DCUAOSYPABVHSY-GOSISDBHSA-N 1 0 299.414 3.444 20 10 CGCDRO COc1cccc(O)c1C[NH2+]CC[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000801732792 630353853 /nfs/dbraw/zinc/35/38/53/630353853.db2.gz XCXIRJVFAAJPKH-BTTYYORXSA-N 1 0 293.407 3.084 20 10 CGCDRO C[C@@H]1C[C@@H](CC[NH2+]Cc2ccccc2O)C[C@H](C)O1 ZINC000801732662 630353876 /nfs/dbraw/zinc/35/38/76/630353876.db2.gz SKZPYDZGEHMYSX-BTTYYORXSA-N 1 0 263.381 3.076 20 10 CGCDRO C[C@@H]1CC(CC[NH2+]Cc2cc(F)ccc2O)C[C@@H](C)O1 ZINC000802658964 630403735 /nfs/dbraw/zinc/40/37/35/630403735.db2.gz ANQUGGBZEZRFJJ-VXGBXAGGSA-N 1 0 281.371 3.215 20 10 CGCDRO CCCC[N@H+](Cc1cnc(N)s1)Cc1ccccc1O ZINC000802657764 630403877 /nfs/dbraw/zinc/40/38/77/630403877.db2.gz QXPSQZPXJDGCEY-UHFFFAOYSA-N 1 0 291.420 3.233 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+][C@H]2CSC2(C)C)c1O ZINC000802661043 630404029 /nfs/dbraw/zinc/40/40/29/630404029.db2.gz FGAPJPVUGPBISP-NSHDSACASA-N 1 0 271.813 3.338 20 10 CGCDRO CCC[C@H](O)C[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808694638 630665979 /nfs/dbraw/zinc/66/59/79/630665979.db2.gz FOGGQDFJGFEVBR-PWSUYJOCSA-N 1 0 271.788 3.166 20 10 CGCDRO CC[C@@H](CCO)[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808697946 630666247 /nfs/dbraw/zinc/66/62/47/630666247.db2.gz ZTKUILOKPYIYIS-PWSUYJOCSA-N 1 0 271.788 3.166 20 10 CGCDRO Cc1cc(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)ncn1 ZINC000808707876 630667992 /nfs/dbraw/zinc/66/79/92/630667992.db2.gz BIPOEJCLTFZYMX-LLVKDONJSA-N 1 0 291.782 3.303 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C[C@H](O)C(C)(C)C)C2CC2)cc1 ZINC000808711053 630668979 /nfs/dbraw/zinc/66/89/79/630668979.db2.gz SXWFUCIKRWAXAG-KRWDZBQOSA-N 1 0 290.451 3.124 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCOC(C)C)c1O ZINC000808713462 630669224 /nfs/dbraw/zinc/66/92/24/630669224.db2.gz HWQYBSLOXAVUFZ-LLVKDONJSA-N 1 0 271.788 3.430 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H]2CC[C@H](O)C2)c1O ZINC000808715979 630669846 /nfs/dbraw/zinc/66/98/46/630669846.db2.gz PCADVBJNDVDTBH-GVXVVHGQSA-N 1 0 283.799 3.166 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCN2CC=CCC2)c1O ZINC000808718483 630670728 /nfs/dbraw/zinc/67/07/28/630670728.db2.gz NDIUSWMKSXNZTP-CYBMUJFWSA-N 1 0 294.826 3.267 20 10 CGCDRO CCCCN(C)C[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000808732591 630673213 /nfs/dbraw/zinc/67/32/13/630673213.db2.gz LHESSQSVTRQRBD-STQMWFEESA-N 1 0 282.403 3.302 20 10 CGCDRO C[C@@]1(CCCO)CCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000809757153 630800739 /nfs/dbraw/zinc/80/07/39/630800739.db2.gz KCADRPPMVIKUOR-HNNXBMFYSA-N 1 0 283.799 3.173 20 10 CGCDRO CO[C@H](C)[C@@H](C)[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000810257255 630860162 /nfs/dbraw/zinc/86/01/62/630860162.db2.gz ORBHPUFNYANIOR-XNDJQWLSSA-N 1 0 267.344 3.093 20 10 CGCDRO CC[C@@H]([NH2+][C@H](C)[C@H](C)OC)c1ccc(N(C)C)cc1 ZINC000810256474 630860555 /nfs/dbraw/zinc/86/05/55/630860555.db2.gz ADTXNLHCMZMTBS-DVOMOZLQSA-N 1 0 264.413 3.217 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CC3(CCC3)[C@@H]2C2CC2)c1 ZINC000811513320 631080935 /nfs/dbraw/zinc/08/09/35/631080935.db2.gz GEIHHTUFFKDAOL-INIZCTEOSA-N 1 0 257.377 3.465 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+][C@H](C)CN(C)C(C)C)c1O ZINC000811515754 631081396 /nfs/dbraw/zinc/08/13/96/631081396.db2.gz GSQOEJMZDKZSMU-GFCCVEGCSA-N 1 0 284.831 3.172 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CC(C)(C)[C@@H]1C1CC1 ZINC000811513520 631081794 /nfs/dbraw/zinc/08/17/94/631081794.db2.gz JTTQFEWHQUUMJE-HNNXBMFYSA-N 1 0 261.365 3.021 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](CC)[C@H]2CCOC2)cc1F ZINC000812780722 631306682 /nfs/dbraw/zinc/30/66/82/631306682.db2.gz PNMCQMJLJFOARC-HNNXBMFYSA-N 1 0 294.414 3.283 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](C(C)C)C2(CO)CCC2)cc1C ZINC000814169882 631536536 /nfs/dbraw/zinc/53/65/36/631536536.db2.gz NSDYYTASVIJRBJ-KRWDZBQOSA-N 1 0 291.435 3.280 20 10 CGCDRO CC[C@H]1CC[N@@H+]1Cc1cc(Br)ccc1O ZINC000814178950 631539996 /nfs/dbraw/zinc/53/99/96/631539996.db2.gz KIPWIOCOUVDGSM-NSHDSACASA-N 1 0 270.170 3.139 20 10 CGCDRO CC[C@H]1CC[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)CC1 ZINC000814301011 631569560 /nfs/dbraw/zinc/56/95/60/631569560.db2.gz STCASBOBNCBQCV-AULYBMBSSA-N 1 0 277.364 3.179 20 10 CGCDRO CC[C@H]1C[N@H+](Cc2ccc(N(C)C)c(C)c2)C[C@H](C)O1 ZINC000815046791 631706552 /nfs/dbraw/zinc/70/65/52/631706552.db2.gz FXOKVVYMPJDCHT-HOCLYGCPSA-N 1 0 276.424 3.060 20 10 CGCDRO Cc1cc(C[N@H+](CCO)C2CCCCC2)ccc1N(C)C ZINC000815074107 631711007 /nfs/dbraw/zinc/71/10/07/631711007.db2.gz IQYPKDVGTOSZRM-UHFFFAOYSA-N 1 0 290.451 3.188 20 10 CGCDRO CCC[C@@]1([NH2+]Cc2ccc(N(C)CC)cc2)CCOC1 ZINC000815116817 631719757 /nfs/dbraw/zinc/71/97/57/631719757.db2.gz ASJHNBTZMKRXNA-QGZVFWFLSA-N 1 0 276.424 3.192 20 10 CGCDRO CCc1nocc1C[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC000815115125 631720228 /nfs/dbraw/zinc/72/02/28/631720228.db2.gz FIHRBIPQBLEORZ-UHFFFAOYSA-N 1 0 287.407 3.373 20 10 CGCDRO COc1ccc(F)c(C[NH2+]Cc2ccc(OC)c(C)c2)c1 ZINC000815123061 631723008 /nfs/dbraw/zinc/72/30/08/631723008.db2.gz VKASBIWGAAUTBT-UHFFFAOYSA-N 1 0 289.350 3.441 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2CCCCO2)c(O)c1 ZINC000815566182 631796297 /nfs/dbraw/zinc/79/62/97/631796297.db2.gz LFGMWUWOPWUDOX-KGLIPLIRSA-N 1 0 263.381 3.229 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)c1cc[nH]c(=O)c1 ZINC000815642933 631811456 /nfs/dbraw/zinc/81/14/56/631811456.db2.gz PBDSHGSUGOIFDE-QWHCGFSZSA-N 1 0 285.391 3.265 20 10 CGCDRO Oc1c(C[NH+]2CCN(C3CCC3)CC2)ccc2ccccc21 ZINC000816510840 631998571 /nfs/dbraw/zinc/99/85/71/631998571.db2.gz HGUIUOGFZBMVPU-UHFFFAOYSA-N 1 0 296.414 3.216 20 10 CGCDRO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc2ccccc2c1O ZINC000816515425 632000208 /nfs/dbraw/zinc/00/02/08/632000208.db2.gz ZBNGPJNYMSYJMY-HNNXBMFYSA-N 1 0 299.370 3.073 20 10 CGCDRO CCOCCCC[NH2+]Cc1ccc2ccccc2c1O ZINC000816536432 632006315 /nfs/dbraw/zinc/00/63/15/632006315.db2.gz XMOFKIZNRNGFHB-UHFFFAOYSA-N 1 0 273.376 3.452 20 10 CGCDRO C[C@H](C[NH2+]Cc1ccc2ccccc2c1O)N(C)C1CC1 ZINC000816548746 632009142 /nfs/dbraw/zinc/00/91/42/632009142.db2.gz QZIQPOBFLJGWQY-CYBMUJFWSA-N 1 0 284.403 3.118 20 10 CGCDRO CC[C@@H](C[NH2+]Cc1ccc2ccccc2c1O)OC ZINC000816616225 632024135 /nfs/dbraw/zinc/02/41/35/632024135.db2.gz RNQFEONYYHZENC-AWEZNQCLSA-N 1 0 259.349 3.060 20 10 CGCDRO CC[C@H]([NH2+]CCC[NH2+]C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817940931 632240426 /nfs/dbraw/zinc/24/04/26/632240426.db2.gz POUXYXIVYTVXNN-NSHDSACASA-N 1 0 291.222 3.349 20 10 CGCDRO Cc1ccccc1[C@H](C)[NH2+]CCc1ccc(N)cc1 ZINC000817955865 632251134 /nfs/dbraw/zinc/25/11/34/632251134.db2.gz JPPLLIWODVQUIR-AWEZNQCLSA-N 1 0 254.377 3.471 20 10 CGCDRO Cc1nc([C@H](C)[NH2+]CCc2ccc(N)cc2)c(C)s1 ZINC000817955970 632251341 /nfs/dbraw/zinc/25/13/41/632251341.db2.gz MPPJMTKOQKFOCJ-JTQLQIEISA-N 1 0 275.421 3.235 20 10 CGCDRO C[C@@H]([NH2+][C@H](CN)C1CCCCC1)c1cc(F)ccc1O ZINC000817957893 632253935 /nfs/dbraw/zinc/25/39/35/632253935.db2.gz FWGBOXAGWAFJQS-IAQYHMDHSA-N 1 0 280.387 3.090 20 10 CGCDRO CC(C)[C@@H]([NH3+])CN[C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000817958970 632254625 /nfs/dbraw/zinc/25/46/25/632254625.db2.gz NVEINIRFRQHDAE-YJBOKZPZSA-N 1 0 289.467 3.311 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](CN)CC(C)C)c1O ZINC000817958916 632255206 /nfs/dbraw/zinc/25/52/06/632255206.db2.gz MSMMQPAKDXRJON-AAEUAGOBSA-N 1 0 284.831 3.378 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CC23CC3)cc1F ZINC000818230029 632300464 /nfs/dbraw/zinc/30/04/64/632300464.db2.gz MTXAOMSFNDVURI-HNNXBMFYSA-N 1 0 262.372 3.314 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]C[C@@H]1C[C@H]1C1CCC1)CC2 ZINC000818344482 632310824 /nfs/dbraw/zinc/31/08/24/632310824.db2.gz DINASZQITVOWFF-SOUVJXGZSA-N 1 0 257.377 3.405 20 10 CGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H](C)CC3CC3)C2)cc1 ZINC000818344025 632310926 /nfs/dbraw/zinc/31/09/26/632310926.db2.gz HJLXDMBCJSSTBH-ZBFHGGJFSA-N 1 0 288.435 3.300 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H](C2CCC2)[C@H]2CCOC2)cc1C ZINC000865761915 632883708 /nfs/dbraw/zinc/88/37/08/632883708.db2.gz JYWSDJKPVGZDHV-YJBOKZPZSA-N 1 0 289.419 3.304 20 10 CGCDRO CCCC[N@@H+](Cc1ccccc1O)C[C@H](OC)C1CC1 ZINC000823025672 633051498 /nfs/dbraw/zinc/05/14/98/633051498.db2.gz KZMINIXEPGXBEE-KRWDZBQOSA-N 1 0 277.408 3.419 20 10 CGCDRO CCC[C@H](CCO)[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000866414207 633127106 /nfs/dbraw/zinc/12/71/06/633127106.db2.gz AFUVHAKIGONQPX-DMDPSCGWSA-N 1 0 281.371 3.220 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1F)c1cc(F)ccc1O ZINC000866450540 633138862 /nfs/dbraw/zinc/13/88/62/633138862.db2.gz WGYGXZPUJKXEKR-TVYUQYBPSA-N 1 0 255.308 3.463 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2F)c1O ZINC000866452205 633142146 /nfs/dbraw/zinc/14/21/46/633142146.db2.gz YUPSUBQNSKNOIQ-WCFLWFBJSA-N 1 0 267.344 3.332 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)[C@H](O)C(F)(F)F)c1ccc(C)cc1O ZINC000866464575 633146075 /nfs/dbraw/zinc/14/60/75/633146075.db2.gz XAJNIWMSDGJPHS-CDMKHQONSA-N 1 0 291.313 3.053 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+][C@H](C1CCC1)[C@@H]1CCCO1)CC2 ZINC000866490987 633158011 /nfs/dbraw/zinc/15/80/11/633158011.db2.gz HEPMDJJOWNAIIK-UWWQBHOKSA-N 1 0 287.403 3.317 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+][C@@H](C1CCC1)[C@@H]1CCOC1)CC2 ZINC000866511072 633167522 /nfs/dbraw/zinc/16/75/22/633167522.db2.gz AMIRUNSWCBMGSK-RKVPGOIHSA-N 1 0 287.403 3.174 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1CCC12CCOCC2)c1ccccc1O ZINC000866528314 633173194 /nfs/dbraw/zinc/17/31/94/633173194.db2.gz DOHPUFWZPMZWOM-ZIAGYGMSSA-N 1 0 275.392 3.250 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)c1ccnn1C)c1ccc(N(C)C)cc1 ZINC000866612380 633212906 /nfs/dbraw/zinc/21/29/06/633212906.db2.gz HPJZEGFWQXFJTD-CJNGLKHVSA-N 1 0 286.423 3.288 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2C[C@H](C)CC[C@H]2C)c(O)c1 ZINC000824320966 633229833 /nfs/dbraw/zinc/22/98/33/633229833.db2.gz NEEJWAOCMAUUCT-LALPHHSUSA-N 1 0 263.381 3.315 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1C ZINC000824714410 633278090 /nfs/dbraw/zinc/27/80/90/633278090.db2.gz DMPNJISXVKJBKF-BBWFWOEESA-N 1 0 289.419 3.134 20 10 CGCDRO C[C@@]1(C[NH2+]Cc2cc(F)ccc2O)CC1(Cl)Cl ZINC000824775089 633287265 /nfs/dbraw/zinc/28/72/65/633287265.db2.gz YNYFNHLBRVYSMC-NSHDSACASA-N 1 0 278.154 3.205 20 10 CGCDRO CO[C@@](C)(C[NH2+]Cc1cc(C)ccc1O)c1ccccc1 ZINC000824780450 633287294 /nfs/dbraw/zinc/28/72/94/633287294.db2.gz PBYUGNKIIFNLPZ-SFHVURJKSA-N 1 0 285.387 3.352 20 10 CGCDRO CO[C@@](C)(C[NH2+]Cc1ccc(N(C)C)cc1)c1ccccc1 ZINC000824780624 633287372 /nfs/dbraw/zinc/28/73/72/633287372.db2.gz XDBYLDVHZGESIY-IBGZPJMESA-N 1 0 298.430 3.404 20 10 CGCDRO CO[C@@H]1CC[N@H+](Cc2cc(Cl)cc(C)c2O)C[C@H]1C ZINC000824815359 633294956 /nfs/dbraw/zinc/29/49/56/633294956.db2.gz MPLARILMGAUTQO-BXUZGUMPSA-N 1 0 283.799 3.211 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+][C@@H]2C[C@@H](C)n3ccnc32)c1O ZINC000825017582 633318790 /nfs/dbraw/zinc/31/87/90/633318790.db2.gz VKQDDHOQCDKESR-ZWNOBZJWSA-N 1 0 291.782 3.346 20 10 CGCDRO CCc1nc(C[NH2+][C@H](CC)c2ccccc2O)co1 ZINC000825061458 633324313 /nfs/dbraw/zinc/32/43/13/633324313.db2.gz GJJQWIADLOUJHV-CYBMUJFWSA-N 1 0 260.337 3.184 20 10 CGCDRO Oc1ccccc1C[NH2+][C@@H]1CCO[C@@H](c2cccs2)C1 ZINC000825085626 633326795 /nfs/dbraw/zinc/32/67/95/633326795.db2.gz LNWNGFCEWPSOHF-UKRRQHHQSA-N 1 0 289.400 3.464 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+]CCC[C@@H]2CCOC2)c1O ZINC000825145323 633332602 /nfs/dbraw/zinc/33/26/02/633332602.db2.gz ZGCKSOZHVQPDCP-GFCCVEGCSA-N 1 0 283.799 3.260 20 10 CGCDRO Cc1ncsc1C[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825240825 633338870 /nfs/dbraw/zinc/33/88/70/633338870.db2.gz KSQDCXGRBXEHAN-UHFFFAOYSA-N 1 0 282.796 3.409 20 10 CGCDRO COCCC(C)(C)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825326509 633346365 /nfs/dbraw/zinc/34/63/65/633346365.db2.gz QYABXOAJWRLJAU-UHFFFAOYSA-N 1 0 271.788 3.259 20 10 CGCDRO CC(C)N1CC[C@H]([N@H+](C)Cc2c(O)ccc3ccccc32)C1 ZINC000825331675 633347024 /nfs/dbraw/zinc/34/70/24/633347024.db2.gz LAVOHAUDBKHJGU-INIZCTEOSA-N 1 0 298.430 3.460 20 10 CGCDRO CC[C@](C)(CC(=O)OC)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825505266 633359738 /nfs/dbraw/zinc/35/97/38/633359738.db2.gz VCYVVLCBXSTIPZ-OAHLLOKOSA-N 1 0 299.798 3.175 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2C[C@H](C)n3ccnc32)cc1Cl ZINC000826083841 633404568 /nfs/dbraw/zinc/40/45/68/633404568.db2.gz NIZPHPVPKWTWLL-GXFFZTMASA-N 1 0 291.782 3.346 20 10 CGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)C2)cc1 ZINC000826844916 633437124 /nfs/dbraw/zinc/43/71/24/633437124.db2.gz BVFSMYMDGTWVST-KJWYOANISA-N 1 0 286.419 3.052 20 10 CGCDRO COc1cccc(O)c1C[NH+]1CCC(C2CCC2)CC1 ZINC000826948468 633445809 /nfs/dbraw/zinc/44/58/09/633445809.db2.gz ZBZNGXFQFJSPLG-UHFFFAOYSA-N 1 0 275.392 3.413 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH+]1CCC(c2ccon2)CC1 ZINC000827628960 633505162 /nfs/dbraw/zinc/50/51/62/633505162.db2.gz CMZPKAFOALVWEK-UHFFFAOYSA-N 1 0 292.766 3.413 20 10 CGCDRO Cc1cc(C[N@H+](C)CCCCO)ccc1N1CCCCC1 ZINC000829152751 633704717 /nfs/dbraw/zinc/70/47/17/633704717.db2.gz USUDODIYURMGSY-UHFFFAOYSA-N 1 0 290.451 3.190 20 10 CGCDRO CC[C@@H]1C[C@@H](C[NH2+][C@@H](C)c2cc(OC)ccc2O)CCO1 ZINC000845971946 636126103 /nfs/dbraw/zinc/12/61/03/636126103.db2.gz OGQMBEMCBWFVSU-MELADBBJSA-N 1 0 293.407 3.257 20 10 CGCDRO CCN(C)c1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000830566803 633871778 /nfs/dbraw/zinc/87/17/78/633871778.db2.gz WZBSHKQLNPRINX-HYVNUMGLSA-N 1 0 258.409 3.421 20 10 CGCDRO CC(C)CC[C@@](C)(O)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000124039570 634103377 /nfs/dbraw/zinc/10/33/77/634103377.db2.gz PATXHLGLEAFSTG-QGZVFWFLSA-N 1 0 278.440 3.029 20 10 CGCDRO CC(C)c1cc(C[NH2+][C@H]2CCc3cccc(O)c32)on1 ZINC000834585867 634190358 /nfs/dbraw/zinc/19/03/58/634190358.db2.gz VHPPKLYDDREZDB-ZDUSSCGKSA-N 1 0 272.348 3.281 20 10 CGCDRO Cc1ccncc1[C@@H](C)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834629748 634202495 /nfs/dbraw/zinc/20/24/95/634202495.db2.gz OQKNDVXLIZLJMB-IUODEOHRSA-N 1 0 268.360 3.434 20 10 CGCDRO C[C@H](c1ccccc1)[C@@H](CO)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834653941 634209184 /nfs/dbraw/zinc/20/91/84/634209184.db2.gz HALXFRUVPHZRPX-KBRIMQKVSA-N 1 0 297.398 3.134 20 10 CGCDRO CC(C)[C@H](C[NH2+][C@H]1CCc2cccc(O)c21)c1ccnn1C ZINC000834778187 634240935 /nfs/dbraw/zinc/24/09/35/634240935.db2.gz AFHNMDVMSFYZHW-GJZGRUSLSA-N 1 0 299.418 3.142 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@@H]2CCc3c[nH]nc3C2)cc1C ZINC000873078493 634242917 /nfs/dbraw/zinc/24/29/17/634242917.db2.gz KNQCBKYWQLHVAO-MRXNPFEDSA-N 1 0 299.418 3.154 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+][C@@H]1COc3ccc(F)cc3C1)CC2 ZINC000834803762 634244615 /nfs/dbraw/zinc/24/46/15/634244615.db2.gz XYDZUSMWQCUWQR-LSDHHAIUSA-N 1 0 299.345 3.112 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+][C@H]1COc3ccc(F)cc3C1)CC2 ZINC000834803755 634244799 /nfs/dbraw/zinc/24/47/99/634244799.db2.gz XYDZUSMWQCUWQR-CABCVRRESA-N 1 0 299.345 3.112 20 10 CGCDRO Cc1ccc([C@H](O)[C@H](C)[NH2+][C@H]2CCc3cccc(O)c32)cc1 ZINC000834798911 634244849 /nfs/dbraw/zinc/24/48/49/634244849.db2.gz RMODHHONMJBDMT-IYJAJMOOSA-N 1 0 297.398 3.400 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]CCCC1CCOCC1)CC2 ZINC000834818164 634246881 /nfs/dbraw/zinc/24/68/81/634246881.db2.gz HVMHCYVTHQMBGH-OAHLLOKOSA-N 1 0 275.392 3.176 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCn2ccnc21)c1cc(Cl)ccc1O ZINC000834830647 634250921 /nfs/dbraw/zinc/25/09/21/634250921.db2.gz FZZPUMRHCLPGFH-CABZTGNLSA-N 1 0 277.755 3.038 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]CCC(C)(C)CO)c2c1c(F)ccc2O ZINC000834871853 634261198 /nfs/dbraw/zinc/26/11/98/634261198.db2.gz UFMWNSXEBUUKNC-PWSUYJOCSA-N 1 0 281.371 3.078 20 10 CGCDRO CO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000834887619 634268779 /nfs/dbraw/zinc/26/87/79/634268779.db2.gz WHCWHBXYCYADDO-NWANDNLSSA-N 1 0 263.381 3.227 20 10 CGCDRO CC[C@H]([NH2+][C@@H](CC)[C@@H](C)O)c1cc(Cl)ccc1O ZINC000834888203 634268835 /nfs/dbraw/zinc/26/88/35/634268835.db2.gz NNSVFKFMUXISRF-ICCXJUOJSA-N 1 0 271.788 3.246 20 10 CGCDRO CCC1(C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)COC1 ZINC000834899176 634275356 /nfs/dbraw/zinc/27/53/56/634275356.db2.gz IYOSUOWDUQRIGL-JQWIXIFHSA-N 1 0 279.355 3.096 20 10 CGCDRO CC[C@H]([NH2+]Cc1cc(C)ccc1O)[C@@H](O)c1ccccc1 ZINC000873194593 634280139 /nfs/dbraw/zinc/28/01/39/634280139.db2.gz UMQXQNKDRWKETF-WMZOPIPTSA-N 1 0 285.387 3.302 20 10 CGCDRO CC[C@H]([NH2+][C@H]1COCC1(C)C)c1ccc(C)cc1O ZINC000834904350 634281559 /nfs/dbraw/zinc/28/15/59/634281559.db2.gz NRIJJTJWGZNDTE-ZFWWWQNUSA-N 1 0 263.381 3.166 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCc2cnc(C)cn2)c(O)c1 ZINC000834907733 634283022 /nfs/dbraw/zinc/28/30/22/634283022.db2.gz AZSNDFYHCSLTBU-CQSZACIVSA-N 1 0 285.391 3.001 20 10 CGCDRO CC[C@@H]([NH2+]CCc1cnc(C)cn1)c1ccc(C)cc1O ZINC000834909281 634284612 /nfs/dbraw/zinc/28/46/12/634284612.db2.gz QHBWPZMUOJINDK-MRXNPFEDSA-N 1 0 285.391 3.082 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1CCOC(C)(C)C1)c1ccccc1O ZINC000834913212 634284949 /nfs/dbraw/zinc/28/49/49/634284949.db2.gz ZTODZMZFFYDPNZ-QWHCGFSZSA-N 1 0 263.381 3.248 20 10 CGCDRO CN(C)c1ccc(/C=C\C[N@H+](C)Cc2cccn2C)cc1 ZINC000835026009 634324434 /nfs/dbraw/zinc/32/44/34/634324434.db2.gz NRFXPHVMAAOXEZ-ALCCZGGFSA-N 1 0 283.419 3.236 20 10 CGCDRO C[C@H](O)C[C@H]1CCC[N@@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC000835028153 634325549 /nfs/dbraw/zinc/32/55/49/634325549.db2.gz KCKWOZKVGMYDMZ-IWAYODKASA-N 1 0 288.435 3.001 20 10 CGCDRO C[C@@H]1CSCC[N@@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC000835027765 634325691 /nfs/dbraw/zinc/32/56/91/634325691.db2.gz GTOKHHUFOOCBCQ-ZRUQZJFASA-N 1 0 276.449 3.203 20 10 CGCDRO CN(C)c1ccc(/C=C/C[N@H+](C)Cc2ccc[nH]2)cc1 ZINC000835027641 634325953 /nfs/dbraw/zinc/32/59/53/634325953.db2.gz FRRXZBQBRLBHLK-AATRIKPKSA-N 1 0 269.392 3.226 20 10 CGCDRO Cc1csc(C[NH2+]C/C=C\c2ccc(N(C)C)cc2)n1 ZINC000835036672 634328330 /nfs/dbraw/zinc/32/83/30/634328330.db2.gz QCBLXTSNAOFTPD-PLNGDYQASA-N 1 0 287.432 3.321 20 10 CGCDRO CSC(C)(C)C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835039031 634328550 /nfs/dbraw/zinc/32/85/50/634328550.db2.gz AHUFYPXTZUJPQG-VOTSOKGWSA-N 1 0 278.465 3.497 20 10 CGCDRO CSCC[C@H](C)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835039270 634328584 /nfs/dbraw/zinc/32/85/84/634328584.db2.gz COMQGHDXCAKZJF-GJBLVYBDSA-N 1 0 278.465 3.497 20 10 CGCDRO CSC[C@@H](C)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835039180 634328801 /nfs/dbraw/zinc/32/88/01/634328801.db2.gz CCWACKLTEJIARU-URWSZGRFSA-N 1 0 264.438 3.107 20 10 CGCDRO COC[C@H]([NH2+]C/C=C\c1ccc(N(C)C)cc1)C(C)C ZINC000835039754 634329354 /nfs/dbraw/zinc/32/93/54/634329354.db2.gz KYMDTVDYWFLORF-TUYSUELWSA-N 1 0 276.424 3.026 20 10 CGCDRO COC[C@@H]([NH2+]C/C=C/c1ccc(N(C)C)cc1)C(C)C ZINC000835039749 634329405 /nfs/dbraw/zinc/32/94/05/634329405.db2.gz KYMDTVDYWFLORF-DKRLNXSXSA-N 1 0 276.424 3.026 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H]2CC=CCC2)cc1 ZINC000835040376 634329562 /nfs/dbraw/zinc/32/95/62/634329562.db2.gz PZVNDMOPUMCZTM-MWWKQMNYSA-N 1 0 256.393 3.464 20 10 CGCDRO COC[C@H]([NH2+]C/C=C/c1ccc(N(C)C)cc1)C(C)C ZINC000835039752 634329673 /nfs/dbraw/zinc/32/96/73/634329673.db2.gz KYMDTVDYWFLORF-LXXRFIIISA-N 1 0 276.424 3.026 20 10 CGCDRO CO[C@H](C[NH2+]C/C=C\c1ccc(N(C)C)cc1)C(C)C ZINC000835043165 634330658 /nfs/dbraw/zinc/33/06/58/634330658.db2.gz NOMTUKGVPOFXBC-JTGQJZMRSA-N 1 0 276.424 3.026 20 10 CGCDRO C[C@H]([NH2+]C/C=C\c1ccc(N(C)C)cc1)[C@@H]1CCCOC1 ZINC000835044028 634331352 /nfs/dbraw/zinc/33/13/52/634331352.db2.gz GKOOGCMPPMKAKL-BUPRPMBJSA-N 1 0 288.435 3.171 20 10 CGCDRO CO[C@@H]1CCC[N@H+](C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000835046926 634333101 /nfs/dbraw/zinc/33/31/01/634333101.db2.gz AHTQTISVGDOWMX-WLPBJKJWSA-N 1 0 288.435 3.267 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@@H]2CCCSC2)cc1 ZINC000835054714 634338252 /nfs/dbraw/zinc/33/82/52/634338252.db2.gz XOCNVKGZPQWONQ-IMMZDGJCSA-N 1 0 290.476 3.499 20 10 CGCDRO CC[C@](C)(C[NH2+]C/C=C/c1ccc(N(C)C)cc1)OC ZINC000835053861 634338557 /nfs/dbraw/zinc/33/85/57/634338557.db2.gz FNFSOQUEXKPGDE-IWAYRVGRSA-N 1 0 276.424 3.171 20 10 CGCDRO COC[C@@H]1CCCC[N@@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC000835055074 634339438 /nfs/dbraw/zinc/33/94/38/634339438.db2.gz QJULJQWNVYNDIL-DKFQHHCZSA-N 1 0 288.435 3.267 20 10 CGCDRO CC(C)[C@H]([NH2+]Cc1cc(F)ccc1O)C1(CO)CCCC1 ZINC000835064870 634342917 /nfs/dbraw/zinc/34/29/17/634342917.db2.gz CFLQUGXWBYGNQV-INIZCTEOSA-N 1 0 295.398 3.198 20 10 CGCDRO C[N@H+](CCCC[NH2+]Cc1cccc(Cl)c1[O-])C1CC1 ZINC000835064140 634343644 /nfs/dbraw/zinc/34/36/44/634343644.db2.gz USUQZMXQXGGYNI-UHFFFAOYSA-N 1 0 282.815 3.010 20 10 CGCDRO COc1cc(O)c(C[NH2+][C@@H](C)CC(C)(C)C)cc1OC ZINC000835066631 634344522 /nfs/dbraw/zinc/34/45/22/634344522.db2.gz ZIVKBZVJRNVSRJ-NSHDSACASA-N 1 0 281.396 3.324 20 10 CGCDRO Cc1ccc(C[NH2+]CCCNc2ccccc2)c(O)c1 ZINC000876875748 634919174 /nfs/dbraw/zinc/91/91/74/634919174.db2.gz YYZZATVPZAWVKY-UHFFFAOYSA-N 1 0 270.376 3.292 20 10 CGCDRO COc1ccc(C[NH2+]Cc2c(C)cccc2O)cc1OC ZINC000876887164 634920978 /nfs/dbraw/zinc/92/09/78/634920978.db2.gz MLZREZXVKUGAPI-UHFFFAOYSA-N 1 0 287.359 3.008 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2ccc(N(C)C)cc2)c(O)c1 ZINC000876904952 634925866 /nfs/dbraw/zinc/92/58/66/634925866.db2.gz AUVXGRLJFLGMAQ-UHFFFAOYSA-N 1 0 270.376 3.056 20 10 CGCDRO Cc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c(O)c1 ZINC000876945387 634933359 /nfs/dbraw/zinc/93/33/59/634933359.db2.gz BSFMZNSROWKVKW-GFCCVEGCSA-N 1 0 286.331 3.460 20 10 CGCDRO Cc1ccc(C[NH2+][C@H](CCCO)c2ccccc2)c(O)c1 ZINC000877055690 634965850 /nfs/dbraw/zinc/96/58/50/634965850.db2.gz NVZCRRHGUGQPTH-QGZVFWFLSA-N 1 0 285.387 3.304 20 10 CGCDRO Nc1c(F)cccc1C[NH2+]CCCSc1nccs1 ZINC000877061561 634967576 /nfs/dbraw/zinc/96/75/76/634967576.db2.gz LGSSEAJJUYTPSJ-UHFFFAOYSA-N 1 0 297.424 3.136 20 10 CGCDRO Cc1ccc(C[NH2+]CC2(CCO)CCCCC2)c(O)c1 ZINC000877076713 634974349 /nfs/dbraw/zinc/97/43/49/634974349.db2.gz PPJKIBRUTQIZMU-UHFFFAOYSA-N 1 0 277.408 3.123 20 10 CGCDRO Cc1ccc(C[NH2+][C@H](C)[C@@H](O)c2cccc(F)c2)c(O)c1 ZINC000877082750 634977970 /nfs/dbraw/zinc/97/79/70/634977970.db2.gz BUIZCBCNZWVCLM-SJKOYZFVSA-N 1 0 289.350 3.051 20 10 CGCDRO Cc1ccc(C[NH2+]C[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)c(O)c1 ZINC000877089438 634981609 /nfs/dbraw/zinc/98/16/09/634981609.db2.gz PSQJDFHZCCGHIX-SCTDSRPQSA-N 1 0 279.383 3.376 20 10 CGCDRO CCOc1cccc(C[NH2+]C[C@@]2(C)CCCS2)c1O ZINC000126474645 635026983 /nfs/dbraw/zinc/02/69/83/635026983.db2.gz AABNATHFQVYZNX-OAHLLOKOSA-N 1 0 281.421 3.166 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C1C[C@H](C)O[C@@H](C)C1 ZINC000126487601 635031623 /nfs/dbraw/zinc/03/16/23/635031623.db2.gz RRSRVOSGTMDHGT-KBPBESRZSA-N 1 0 276.424 3.107 20 10 CGCDRO Cc1ncc(C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)o1 ZINC000840794023 635054120 /nfs/dbraw/zinc/05/41/20/635054120.db2.gz BTEMSQWRECPRNH-NSHDSACASA-N 1 0 260.337 3.156 20 10 CGCDRO CC[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000840819903 635058424 /nfs/dbraw/zinc/05/84/24/635058424.db2.gz DDKXRCOZVFKOIR-NJAPINKUSA-N 1 0 289.419 3.489 20 10 CGCDRO COCC[C@@H](C)C[NH2+][C@H](C)c1cc(C)ccc1O ZINC000840834928 635060772 /nfs/dbraw/zinc/06/07/72/635060772.db2.gz CBXWCCVEHJPEST-CHWSQXEVSA-N 1 0 251.370 3.024 20 10 CGCDRO Cc1n[nH]cc1C1CC[NH+](Cc2c(C)cccc2O)CC1 ZINC000877508475 635065419 /nfs/dbraw/zinc/06/54/19/635065419.db2.gz ZCZAOTDSEJJMAD-UHFFFAOYSA-N 1 0 285.391 3.112 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F)[C@@H](O)C(C)C ZINC000840880884 635072610 /nfs/dbraw/zinc/07/26/10/635072610.db2.gz FOBQMNQERSGFSV-AKENFEQQSA-N 1 0 295.398 3.465 20 10 CGCDRO Cc1ccc(C[N@H+](Cc2cccnc2)C2CC2)c(O)c1 ZINC000877530159 635074602 /nfs/dbraw/zinc/07/46/02/635074602.db2.gz DNSFXYWIAFZNPG-UHFFFAOYSA-N 1 0 268.360 3.260 20 10 CGCDRO Cc1cc(N(C)C)ccc1CNc1[nH+]ccn1C1CC1 ZINC000840886322 635074604 /nfs/dbraw/zinc/07/46/04/635074604.db2.gz BYROIHJMPOIDNE-UHFFFAOYSA-N 1 0 270.380 3.205 20 10 CGCDRO CC[C@H](CSC)[N@H+](C)Cc1ccc(C)cc1O ZINC000877531516 635075573 /nfs/dbraw/zinc/07/55/73/635075573.db2.gz OHSAJGOLQZZSJR-CYBMUJFWSA-N 1 0 253.411 3.274 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000877538552 635078339 /nfs/dbraw/zinc/07/83/39/635078339.db2.gz DIDXWAIXRNNQOF-NSHDSACASA-N 1 0 255.308 3.178 20 10 CGCDRO CC[N@H+](Cc1ccc(C)cc1O)[C@H]1CCOC(C)(C)C1 ZINC000877538568 635078570 /nfs/dbraw/zinc/07/85/70/635078570.db2.gz DTCXXNVKQBTBIF-HNNXBMFYSA-N 1 0 277.408 3.480 20 10 CGCDRO Cc1ccc(C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c(O)c1 ZINC000877542110 635080653 /nfs/dbraw/zinc/08/06/53/635080653.db2.gz VNQMPRNUSODUEE-IAGOWNOFSA-N 1 0 287.403 3.234 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000840935191 635084642 /nfs/dbraw/zinc/08/46/42/635084642.db2.gz HYFJIEJITNZLTD-KURKYZTESA-N 1 0 288.435 3.108 20 10 CGCDRO CSCC[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840933622 635084859 /nfs/dbraw/zinc/08/48/59/635084859.db2.gz IPRMZJNGXUADMR-ZDUSSCGKSA-N 1 0 266.454 3.292 20 10 CGCDRO CO[C@H]1CCC[N@H+](Cc2c(O)cc(C)cc2Cl)CC1 ZINC000840936044 635086187 /nfs/dbraw/zinc/08/61/87/635086187.db2.gz DMWSKPOEOXZGBE-LBPRGKRZSA-N 1 0 283.799 3.355 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000840940368 635086476 /nfs/dbraw/zinc/08/64/76/635086476.db2.gz ZISXSZVCQGPBNT-MRXNPFEDSA-N 1 0 284.407 3.121 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]C[C@]1(C)CC1(Cl)Cl ZINC000877564713 635093342 /nfs/dbraw/zinc/09/33/42/635093342.db2.gz JWBFUKBQQJJSPJ-LBPRGKRZSA-N 1 0 274.191 3.374 20 10 CGCDRO Oc1cc2c(cc1C[NH2+]C[C@H]1CCC[C@H]1C1CC1)OCO2 ZINC000840955622 635093361 /nfs/dbraw/zinc/09/33/61/635093361.db2.gz YLHNADJWZVBFON-OCCSQVGLSA-N 1 0 289.375 3.037 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)c1 ZINC000840959606 635094283 /nfs/dbraw/zinc/09/42/83/635094283.db2.gz YYKSOMCEGIZBEH-DLBZAZTESA-N 1 0 283.371 3.009 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2ccccc2O)CCN1Cc1ccccc1 ZINC000840963796 635095142 /nfs/dbraw/zinc/09/51/42/635095142.db2.gz VTKAMZOJANSTQY-MRXNPFEDSA-N 1 0 296.414 3.099 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1cccc(O)c1 ZINC000840975072 635097659 /nfs/dbraw/zinc/09/76/59/635097659.db2.gz CGNIYVGMLNUDAG-HNNXBMFYSA-N 1 0 298.430 3.487 20 10 CGCDRO CCCC[C@H](C[NH3+])NCc1ccc(N2CCCCC2)cc1 ZINC000841029215 635109025 /nfs/dbraw/zinc/10/90/25/635109025.db2.gz MDXYWNIHDXETCZ-QGZVFWFLSA-N 1 0 289.467 3.284 20 10 CGCDRO Cc1ccc(C[N@H+]2CCC[C@@H](OC(C)C)C2)c(O)c1 ZINC000877609515 635110697 /nfs/dbraw/zinc/11/06/97/635110697.db2.gz BLVGYDNNMQLJNX-OAHLLOKOSA-N 1 0 263.381 3.090 20 10 CGCDRO C[C@H](Cc1ccc(F)cc1)[NH2+]CCc1ccc(N)cc1 ZINC000841035418 635110967 /nfs/dbraw/zinc/11/09/67/635110967.db2.gz NLWFFRXIRUHRFQ-CYBMUJFWSA-N 1 0 272.367 3.171 20 10 CGCDRO COc1ccccc1C[C@@H](C)[NH2+]CCc1ccc(N)cc1 ZINC000841037248 635111085 /nfs/dbraw/zinc/11/10/85/635111085.db2.gz ZOMJAGRSFPOZGX-CQSZACIVSA-N 1 0 284.403 3.041 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+]CCc2ccc(N)cc2)cc1 ZINC000841038831 635112185 /nfs/dbraw/zinc/11/21/85/635112185.db2.gz RFCYUETYXKVOQZ-ONEGZZNKSA-N 1 0 295.430 3.180 20 10 CGCDRO CC[C@@H]1CCC[C@@H]([NH2+]C[C@H](N)c2ccc(N(C)C)cc2)C1 ZINC000841046043 635114091 /nfs/dbraw/zinc/11/40/91/635114091.db2.gz VCBYXEYXQSAJQT-KYJSFNMBSA-N 1 0 289.467 3.311 20 10 CGCDRO Nc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccc2c(c1)CCO2 ZINC000841057478 635116731 /nfs/dbraw/zinc/11/67/31/635116731.db2.gz HVEFWIJADAZGSI-SFHVURJKSA-N 1 0 294.398 3.371 20 10 CGCDRO Cc1ccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)c(O)c1 ZINC000877652708 635132405 /nfs/dbraw/zinc/13/24/05/635132405.db2.gz LVLNBUKIJWTBKB-KGLIPLIRSA-N 1 0 263.406 3.171 20 10 CGCDRO Cc1ccc(C[N@@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)c(O)c1 ZINC000877651150 635133247 /nfs/dbraw/zinc/13/32/47/635133247.db2.gz WFJDYXOTVMRTOJ-TXEJJXNPSA-N 1 0 269.335 3.424 20 10 CGCDRO CCOc1cccc(C[NH+]2CCC(CCF)CC2)c1O ZINC000877673614 635140912 /nfs/dbraw/zinc/14/09/12/635140912.db2.gz HSBHFHQBJJMDQM-UHFFFAOYSA-N 1 0 281.371 3.363 20 10 CGCDRO CC[C@H]1C[C@@H](C[NH2+][C@H](C)c2ccccc2O)CCO1 ZINC000877756301 635185305 /nfs/dbraw/zinc/18/53/05/635185305.db2.gz FTWKMOUGNKCIDA-RDBSUJKOSA-N 1 0 263.381 3.248 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(Cl)cc2O)cn1 ZINC000841743413 635220177 /nfs/dbraw/zinc/22/01/77/635220177.db2.gz FZVBSFNPPDQGBC-JTQLQIEISA-N 1 0 292.766 3.300 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1CCCCO1)c1ccc(Cl)cc1O ZINC000841746025 635221569 /nfs/dbraw/zinc/22/15/69/635221569.db2.gz UGIHWHDYCFCQRK-JQWIXIFHSA-N 1 0 269.772 3.265 20 10 CGCDRO CCN(CC)C[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841747132 635224459 /nfs/dbraw/zinc/22/44/59/635224459.db2.gz ODUUMQKBLMWJMG-VXGBXAGGSA-N 1 0 284.831 3.427 20 10 CGCDRO COC(C)(C)C[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841749074 635225124 /nfs/dbraw/zinc/22/51/24/635225124.db2.gz BRBORXZMRTWOMU-VIFPVBQESA-N 1 0 257.761 3.121 20 10 CGCDRO CC(C)N(C)C[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841753351 635227747 /nfs/dbraw/zinc/22/77/47/635227747.db2.gz HELISUCVXUKRRB-RYUDHWBXSA-N 1 0 284.831 3.425 20 10 CGCDRO C[C@H]([NH2+]CCNc1ccccn1)c1ccc(Cl)cc1O ZINC000841754207 635228182 /nfs/dbraw/zinc/22/81/82/635228182.db2.gz IVELTOQKCRZUGD-NSHDSACASA-N 1 0 291.782 3.203 20 10 CGCDRO C[C@H]([NH2+][C@@H]1C[C@H](C)N(C2CC2)C1)c1ccc(Cl)cc1O ZINC000841758492 635230857 /nfs/dbraw/zinc/23/08/57/635230857.db2.gz MFQXPUCICQILNR-GMXVVIOVSA-N 1 0 294.826 3.321 20 10 CGCDRO C[C@H]([NH2+]CCOCC1CC1)c1ccc(Cl)cc1O ZINC000841757857 635231012 /nfs/dbraw/zinc/23/10/12/635231012.db2.gz GDGVKOMIVQUEFK-JTQLQIEISA-N 1 0 269.772 3.123 20 10 CGCDRO C[C@H]([NH2+][C@H]1COCc2ccccc21)c1ccccc1O ZINC000841761650 635232979 /nfs/dbraw/zinc/23/29/79/635232979.db2.gz QEAYHVUXZVCEHE-LRDDRELGSA-N 1 0 269.344 3.314 20 10 CGCDRO OC[C@@H](CC1CCCCC1)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000841761349 635233272 /nfs/dbraw/zinc/23/32/72/635233272.db2.gz IRQQYOKXGJDRAL-HZPDHXFCSA-N 1 0 289.419 3.300 20 10 CGCDRO CC(C)(O)[C@H]1CC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000877836224 635236438 /nfs/dbraw/zinc/23/64/38/635236438.db2.gz QEXTUDDXUMJWPE-HNNXBMFYSA-N 1 0 285.387 3.138 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cccc(OC)c1O)[C@H]1CC1(C)C ZINC000841890811 635247431 /nfs/dbraw/zinc/24/74/31/635247431.db2.gz KNXGIEBEJMMGHL-CHWSQXEVSA-N 1 0 263.381 3.315 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H](CO)CC2CCCCC2)c1O ZINC000841893906 635248693 /nfs/dbraw/zinc/24/86/93/635248693.db2.gz QLHUDITUMHBNKM-MRXNPFEDSA-N 1 0 277.408 3.122 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)c1 ZINC000842613185 635417799 /nfs/dbraw/zinc/41/77/99/635417799.db2.gz WOLCDBQTFTYMRJ-NVXWUHKLSA-N 1 0 289.419 3.400 20 10 CGCDRO COCC1(CC[NH2+][C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000842895329 635507981 /nfs/dbraw/zinc/50/79/81/635507981.db2.gz VSGCAXOOXYKOGN-AWEZNQCLSA-N 1 0 276.424 3.220 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2C[C@@H](OC(C)(C)C)C2)c1 ZINC000842920025 635511966 /nfs/dbraw/zinc/51/19/66/635511966.db2.gz GMNYYHDODARYAI-BZPMIXESSA-N 1 0 293.407 3.398 20 10 CGCDRO Cc1ccc(CN2CCCc3cc(C[NH3+])ccc32)c(C)n1 ZINC000843350085 635652457 /nfs/dbraw/zinc/65/24/57/635652457.db2.gz IVHMTDVIPDUNSX-UHFFFAOYSA-N 1 0 281.403 3.110 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H](C(C)C)C2(CO)CC=CC2)c1O ZINC000843432375 635674515 /nfs/dbraw/zinc/67/45/15/635674515.db2.gz CBOUBMNDMWMTJO-KRWDZBQOSA-N 1 0 289.419 3.144 20 10 CGCDRO Cc1cccc(NC(=O)C[NH2+][C@@H](C)c2ccccc2O)c1C ZINC000879652067 635827912 /nfs/dbraw/zinc/82/79/12/635827912.db2.gz VUDVYALEUFIMJH-AWEZNQCLSA-N 1 0 298.386 3.298 20 10 CGCDRO CC[C@H]1C[N@H+](Cc2cc(C)c(C)cc2O)[C@@H](C)CO1 ZINC000844729339 635957455 /nfs/dbraw/zinc/95/74/55/635957455.db2.gz HSXRYMFUESTGKS-ZFWWWQNUSA-N 1 0 263.381 3.008 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2cccc3c2OCCCO3)c1 ZINC000128520900 636029612 /nfs/dbraw/zinc/02/96/12/636029612.db2.gz KNGHJBFPWURKOD-UHFFFAOYSA-N 1 0 299.370 3.152 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CCC[C@H]2C(C)C)c1O ZINC000211578130 636107902 /nfs/dbraw/zinc/10/79/02/636107902.db2.gz BQZUUQUWWCKSSQ-AWEZNQCLSA-N 1 0 263.381 3.411 20 10 CGCDRO CC[N@H+](C/C=C/c1ccc(N(C)C)cc1)[C@@H]1CCCOC1 ZINC000846052637 636138880 /nfs/dbraw/zinc/13/88/80/636138880.db2.gz PLPWBGVTYOJTTR-SUQGKYDKSA-N 1 0 288.435 3.267 20 10 CGCDRO CCOC(=O)CC(C)(C)C[NH2+]Cc1cc(Cl)ccc1O ZINC000846054811 636139652 /nfs/dbraw/zinc/13/96/52/636139652.db2.gz GSQCSXDXNFHQSN-UHFFFAOYSA-N 1 0 299.798 3.115 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2OC)cc1C ZINC000846057037 636139700 /nfs/dbraw/zinc/13/97/00/636139700.db2.gz TYJIESHTKILVCB-GDBMZVCRSA-N 1 0 263.381 3.051 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C2(C3CCC3)CC2)c1 ZINC000846055884 636140029 /nfs/dbraw/zinc/14/00/29/636140029.db2.gz RJQNDKXKYDLXQT-LLVKDONJSA-N 1 0 261.365 3.384 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](C)COCC1CC1)c1ccccc1O ZINC000846074087 636142321 /nfs/dbraw/zinc/14/23/21/636142321.db2.gz WMRCNWVIJVSMOO-SWLSCSKDSA-N 1 0 263.381 3.248 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]CC(C)(C)SC)c1O ZINC000846149132 636149959 /nfs/dbraw/zinc/14/99/59/636149959.db2.gz WFYIOZZTTWPZAM-JTQLQIEISA-N 1 0 269.410 3.193 20 10 CGCDRO CCOC[C@H]([NH2+][C@@H](C)c1cccc(OC)c1O)C(C)C ZINC000846165422 636151046 /nfs/dbraw/zinc/15/10/46/636151046.db2.gz LRYCDDKSSZDRBO-JSGCOSHPSA-N 1 0 281.396 3.113 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2CCCCS2)c1O ZINC000846165546 636151085 /nfs/dbraw/zinc/15/10/85/636151085.db2.gz OLZRCTDVFGNBKF-RYUDHWBXSA-N 1 0 281.421 3.337 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)COCC1CC1)c1ccc(N(C)C)cc1 ZINC000846206117 636158592 /nfs/dbraw/zinc/15/85/92/636158592.db2.gz VNVSDCDNSRRRQV-UONOGXRCSA-N 1 0 276.424 3.218 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2cc(C)ccc2O)c1 ZINC000025496799 636391970 /nfs/dbraw/zinc/39/19/70/636391970.db2.gz VGWIMMPRGUHTFI-UHFFFAOYSA-N 1 0 257.333 3.004 20 10 CGCDRO COCC1(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)CC1 ZINC000848560850 636606397 /nfs/dbraw/zinc/60/63/97/636606397.db2.gz MFEBDSRKNBLWNC-LLVKDONJSA-N 1 0 283.799 3.431 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)Cc2ccccn2)c1O ZINC000848564775 636608694 /nfs/dbraw/zinc/60/86/94/636608694.db2.gz IAMDMEXLHIGOBZ-STQMWFEESA-N 1 0 286.375 3.078 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+]CCc2ccns2)cc1 ZINC000883240362 636609160 /nfs/dbraw/zinc/60/91/60/636609160.db2.gz QVIJFHLVPKIYKU-ARJAWSKDSA-N 1 0 287.432 3.055 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H](C)Cc2ccccn2)c(Cl)c1 ZINC000848566790 636609366 /nfs/dbraw/zinc/60/93/66/636609366.db2.gz IXDHQZGACHCYPQ-LBPRGKRZSA-N 1 0 290.794 3.470 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)c1cc(OC)ccc1O)[C@@H]1CCCCO1 ZINC000848567058 636609629 /nfs/dbraw/zinc/60/96/29/636609629.db2.gz AUEYPNHTKCGEIO-NUTKFTJISA-N 1 0 293.407 3.399 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCCN2CCCC[C@@H]12)c1cc(F)ccc1O ZINC000848568212 636610058 /nfs/dbraw/zinc/61/00/58/636610058.db2.gz BMLXIJRBMHNATB-RCBQFDQVSA-N 1 0 292.398 3.199 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]CC2(C)CC(F)(F)C2)c1O ZINC000883257136 636626285 /nfs/dbraw/zinc/62/62/85/636626285.db2.gz SIIQVKXBSZJIQW-JTQLQIEISA-N 1 0 285.334 3.487 20 10 CGCDRO COC[C@H]1C[C@@H]([NH2+][C@H](C)c2cc(Cl)ccc2O)C1 ZINC000883319445 636669934 /nfs/dbraw/zinc/66/99/34/636669934.db2.gz CDZSTWXDOMIMCZ-FOGDFJRCSA-N 1 0 269.772 3.121 20 10 CGCDRO CC[C@@H]([NH2+][C@H]1C[C@@H](COC)C1)c1ccc(C)cc1O ZINC000883319677 636670055 /nfs/dbraw/zinc/67/00/55/636670055.db2.gz LOMPLOAGAWLLPC-VNHYZAJKSA-N 1 0 263.381 3.166 20 10 CGCDRO CC[C@H]([NH2+][C@H]1C[C@@H](COC)C1)c1ccc(C)cc1O ZINC000883319676 636670669 /nfs/dbraw/zinc/67/06/69/636670669.db2.gz LOMPLOAGAWLLPC-GUTXKFCHSA-N 1 0 263.381 3.166 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCCC[C@H]2c2ncc[nH]2)c1O ZINC000848885801 636673566 /nfs/dbraw/zinc/67/35/66/636673566.db2.gz SFFNSIBACWPHNF-HNNXBMFYSA-N 1 0 285.391 3.405 20 10 CGCDRO CCc1cccc(C[NH2+][C@H](C)C(=O)Nc2ccccc2)c1O ZINC000848896248 636679528 /nfs/dbraw/zinc/67/95/28/636679528.db2.gz WGHCUXDCWRBXCL-CYBMUJFWSA-N 1 0 298.386 3.071 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H](COC)Cc2ccccc2)c1O ZINC000848898359 636680595 /nfs/dbraw/zinc/68/05/95/636680595.db2.gz UQONMDYNYFCTIP-GOSISDBHSA-N 1 0 299.414 3.302 20 10 CGCDRO CCc1cccc(C[N@@H+]2CC[C@H](Cc3ccncc3)C2)c1O ZINC000848902979 636682626 /nfs/dbraw/zinc/68/26/26/636682626.db2.gz VZVHZQUHYVAECV-MRXNPFEDSA-N 1 0 296.414 3.414 20 10 CGCDRO CCc1cccc(C[NH2+]CC[C@](C)(O)c2ccccc2)c1O ZINC000848903785 636683801 /nfs/dbraw/zinc/68/38/01/636683801.db2.gz DEGGHDKHICSUSM-IBGZPJMESA-N 1 0 299.414 3.342 20 10 CGCDRO CCc1cccc(C[NH2+]Cc2ccc(C(C)(C)O)cc2)c1O ZINC000848904350 636684271 /nfs/dbraw/zinc/68/42/71/636684271.db2.gz RCXTUMXSTYQJHQ-UHFFFAOYSA-N 1 0 299.414 3.472 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@H]2CCO[C@@H](C(C)C)C2)c1O ZINC000848915417 636688619 /nfs/dbraw/zinc/68/86/19/636688619.db2.gz HLLXRNYNYZIIMT-WMLDXEAASA-N 1 0 291.435 3.495 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@@H]2CCOC3(CCC3)C2)c1O ZINC000848915856 636689941 /nfs/dbraw/zinc/68/99/41/636689941.db2.gz MPUOTKDLMCPXOB-CQSZACIVSA-N 1 0 289.419 3.394 20 10 CGCDRO CCN1CC[C@H]1C[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000883355563 636697401 /nfs/dbraw/zinc/69/74/01/636697401.db2.gz UHGZZWUZMPNAHX-ZFWWWQNUSA-N 1 0 284.403 3.290 20 10 CGCDRO CCc1cccc(C[NH2+][C@H](CC)[C@H]2CCCCO2)c1O ZINC000848927280 636698807 /nfs/dbraw/zinc/69/88/07/636698807.db2.gz DTBXDGQNHIEHEZ-HZPDHXFCSA-N 1 0 277.408 3.392 20 10 CGCDRO CCC(CC)[N@H+](CCOC)Cc1cc(C)ccc1O ZINC000133483598 636903883 /nfs/dbraw/zinc/90/38/83/636903883.db2.gz KQFBUALOVJNAET-UHFFFAOYSA-N 1 0 265.397 3.338 20 10 CGCDRO COC1CC(CC[NH2+]Cc2c(O)cc(C)cc2Cl)C1 ZINC000850341223 637020555 /nfs/dbraw/zinc/02/05/55/637020555.db2.gz CISOPWBWNIPIBI-UHFFFAOYSA-N 1 0 283.799 3.259 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCC[C@H](C)O2)cc1C ZINC000850379111 637039754 /nfs/dbraw/zinc/03/97/54/637039754.db2.gz FHAIUEBCSLDXSU-DZGCQCFKSA-N 1 0 263.381 3.056 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)cc1 ZINC000850392977 637045723 /nfs/dbraw/zinc/04/57/23/637045723.db2.gz PAFSDCMMQWSNNV-ORZRYMOLSA-N 1 0 256.393 3.154 20 10 CGCDRO CCOc1cccc(C[NH2+]C[C@H](OC)C2CCCC2)c1O ZINC000850400312 637048392 /nfs/dbraw/zinc/04/83/92/637048392.db2.gz FYWMEZRCWVCHTM-INIZCTEOSA-N 1 0 293.407 3.086 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCOC2(C)C)c(Cl)c1 ZINC000850409318 637051835 /nfs/dbraw/zinc/05/18/35/637051835.db2.gz QPQKMRAMHOMVIS-LLVKDONJSA-N 1 0 283.799 3.259 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2CCOC2(C)C)cc1 ZINC000850408392 637051888 /nfs/dbraw/zinc/05/18/88/637051888.db2.gz LFABZRRSWFXCQZ-MRXNPFEDSA-N 1 0 290.451 3.438 20 10 CGCDRO CCC[C@@H](CC)[NH2+][C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850488392 637087504 /nfs/dbraw/zinc/08/75/04/637087504.db2.gz MOHROEHWCUDPHT-CABCVRRESA-N 1 0 276.424 3.442 20 10 CGCDRO CCC[C@@H](C)[NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850487889 637087931 /nfs/dbraw/zinc/08/79/31/637087931.db2.gz JXJDFDNHXOLJJR-ZIAGYGMSSA-N 1 0 262.397 3.052 20 10 CGCDRO CC[C@H](C)CC[NH2+][C@H](C)c1cccc(OC)c1O ZINC000850504803 637092883 /nfs/dbraw/zinc/09/28/83/637092883.db2.gz FPONZBDHKMAEKO-NWDGAFQWSA-N 1 0 251.370 3.488 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCC[C@@H]([S@@](C)=O)C1)c1ccccc1O ZINC000850502871 637093209 /nfs/dbraw/zinc/09/32/09/637093209.db2.gz SDTKFRIJPMAFOI-LNFCAHBASA-N 1 0 295.448 3.123 20 10 CGCDRO OC/C=C/C[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000850506894 637094186 /nfs/dbraw/zinc/09/41/86/637094186.db2.gz CLSQYTSRZQSBPE-IPLHWJFFSA-N 1 0 297.398 3.204 20 10 CGCDRO CCO[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc(Cl)cc2O)C1 ZINC000850513325 637098428 /nfs/dbraw/zinc/09/84/28/637098428.db2.gz GBDOVAREPDNBEU-DLOVCJGASA-N 1 0 269.772 3.264 20 10 CGCDRO CC[C@H]([NH2+]CCO[C@@H]1CC1(F)F)c1ccc(N(C)C)cc1 ZINC000850519447 637100486 /nfs/dbraw/zinc/10/04/86/637100486.db2.gz LTWIGAMSXWGTLC-LSDHHAIUSA-N 1 0 298.377 3.218 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@H]2CCC[C@H](C)O2)c1O ZINC000850533847 637110526 /nfs/dbraw/zinc/11/05/26/637110526.db2.gz COLNLLIDALEVCB-RWMBFGLXSA-N 1 0 279.380 3.009 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H](CO)CC2CC2)cc1 ZINC000850546436 637116665 /nfs/dbraw/zinc/11/66/65/637116665.db2.gz ZUTQACFGFFXBGQ-GDBMZVCRSA-N 1 0 290.451 3.202 20 10 CGCDRO CC[C@H]([NH2+]Cc1ncccn1)c1cccc(Cl)c1[O-] ZINC000850551142 637118070 /nfs/dbraw/zinc/11/80/70/637118070.db2.gz FRNODMCDOVMZKI-LBPRGKRZSA-N 1 0 277.755 3.077 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2C(C)(C)C2(F)F)c1O ZINC000850552696 637118532 /nfs/dbraw/zinc/11/85/32/637118532.db2.gz PPVJHHACOLMAJT-JOYOIKCWSA-N 1 0 285.334 3.343 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)c2nccn2C)c1O ZINC000850573202 637129935 /nfs/dbraw/zinc/12/99/35/637129935.db2.gz WLXHDGGHXJZQSC-WDEREUQCSA-N 1 0 293.798 3.499 20 10 CGCDRO CCC[N@H+](CCO[C@H]1CC1(F)F)Cc1ccccc1O ZINC000851792089 637505490 /nfs/dbraw/zinc/50/54/90/637505490.db2.gz KJOOCJMOUFKUDT-AWEZNQCLSA-N 1 0 285.334 3.028 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]Cc2cc(C3CC3)no2)c1O ZINC000886684853 637651210 /nfs/dbraw/zinc/65/12/10/637651210.db2.gz UOKOAQVTUVXECL-JTQLQIEISA-N 1 0 288.347 3.117 20 10 CGCDRO Cc1cc(C[N@@H+]2CC[C@H]([C@H]3CCCO3)C2)ccc1N(C)C ZINC000886818646 637704767 /nfs/dbraw/zinc/70/47/67/637704767.db2.gz HRSFBKKEZYRPEA-FUHWJXTLSA-N 1 0 288.435 3.062 20 10 CGCDRO CC(C)c1cccc(N(C)C(=O)C=C2CC[NH2+]CC2)c1 ZINC000852822972 637716590 /nfs/dbraw/zinc/71/65/90/637716590.db2.gz ARPFRPVTDKHPNP-UHFFFAOYSA-N 1 0 272.392 3.083 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCC[C@H]2C)c1 ZINC000300310398 637831530 /nfs/dbraw/zinc/83/15/30/637831530.db2.gz SWAYNSFILRXIKY-FRRDWIJNSA-N 1 0 263.381 3.488 20 10 CGCDRO Nc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CCc2cccc(O)c21 ZINC000854226693 638027518 /nfs/dbraw/zinc/02/75/18/638027518.db2.gz OEFOOEZHHWUQJG-CVEARBPZSA-N 1 0 280.371 3.239 20 10 CGCDRO C[NH2+]C[C@H](C)N[C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000854231256 638028302 /nfs/dbraw/zinc/02/83/02/638028302.db2.gz CZWOLNIYXDQXKS-JKSUJKDBSA-N 1 0 289.467 3.326 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)Cc2ccc(O)cc2)c1 ZINC000113335939 638200500 /nfs/dbraw/zinc/20/05/00/638200500.db2.gz KBJNZFOUANRBOV-ZDUSSCGKSA-N 1 0 271.360 3.127 20 10 CGCDRO COc1cccc(O)c1C[NH+]1CC(C)(c2ccccc2)C1 ZINC000857058096 638445548 /nfs/dbraw/zinc/44/55/48/638445548.db2.gz HVXSJTJZFSJQRR-UHFFFAOYSA-N 1 0 283.371 3.174 20 10 CGCDRO COc1ccc(O)c(C[NH2+]CC[C@H]2CC2(Cl)Cl)c1 ZINC000857065639 638448503 /nfs/dbraw/zinc/44/85/03/638448503.db2.gz SDSIKSLFKICGAT-JTQLQIEISA-N 1 0 290.190 3.074 20 10 CGCDRO C[C@@H]([NH2+]CCCSc1nccs1)C1(Cl)CC1 ZINC000925100651 638452614 /nfs/dbraw/zinc/45/26/14/638452614.db2.gz DLMMCGIWIOOEBV-SECBINFHSA-N 1 0 276.858 3.375 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(N(C)C)cc2C)c1 ZINC000115629198 638569939 /nfs/dbraw/zinc/56/99/39/638569939.db2.gz JBHUCYHTQDJQOH-UHFFFAOYSA-N 1 0 284.403 3.365 20 10 CGCDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2CC[C@H]3C[C@H]3C2)cc1F ZINC000858185373 638651885 /nfs/dbraw/zinc/65/18/85/638651885.db2.gz VCDQIHBMYVOMHW-GMXVVIOVSA-N 1 0 280.362 3.309 20 10 CGCDRO C[C@H]1CCC[C@H](C[NH2+]Cc2cc(F)c(N(C)C)cc2F)O1 ZINC000858192667 638655731 /nfs/dbraw/zinc/65/57/31/638655731.db2.gz OHPMOYRNIOONAO-WCQYABFASA-N 1 0 298.377 3.078 20 10 CGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@@]2(C)CC2(F)F)cc1F ZINC000858192689 638655742 /nfs/dbraw/zinc/65/57/42/638655742.db2.gz OZDGIGQYLIPEQZ-CYBMUJFWSA-N 1 0 290.304 3.166 20 10 CGCDRO Oc1cccc(Br)c1C[NH2+][C@@H]1[C@@H]2CCC[C@@H]21 ZINC000858191812 638655795 /nfs/dbraw/zinc/65/57/95/638655795.db2.gz CBRZCKNJOKMQJK-YFKFIEJBSA-N 1 0 282.181 3.043 20 10 CGCDRO Cc1ccc(C(C)(C)C[NH2+]Cc2ccc3c(c2)CCO3)nc1 ZINC000858240858 638661354 /nfs/dbraw/zinc/66/13/54/638661354.db2.gz HGVXIEAROQKBRU-UHFFFAOYSA-N 1 0 296.414 3.392 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)c1 ZINC000858238875 638661504 /nfs/dbraw/zinc/66/15/04/638661504.db2.gz DWGATSVZOYYZDJ-UHFFFAOYSA-N 1 0 286.331 3.207 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(F)cc2C)c1 ZINC000858237087 638661537 /nfs/dbraw/zinc/66/15/37/638661537.db2.gz FDPDKYRZQRRVJG-UHFFFAOYSA-N 1 0 259.324 3.438 20 10 CGCDRO CCC(F)(F)C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000858259307 638667566 /nfs/dbraw/zinc/66/75/66/638667566.db2.gz YBWPEOPTCFLAPU-UHFFFAOYSA-N 1 0 298.377 3.299 20 10 CGCDRO C[C@H]([NH2+]CC[C@H]1CCCOC1)c1ccc(N(C)C)cc1 ZINC000858445155 638722100 /nfs/dbraw/zinc/72/21/00/638722100.db2.gz BDGFSXIKNGWJIK-LSDHHAIUSA-N 1 0 276.424 3.220 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@H]2CO[C@@H](C3CC3)C2)c(O)c1 ZINC000858548639 638759607 /nfs/dbraw/zinc/75/96/07/638759607.db2.gz WJBRUXXADZWKCN-JGGQBBKZSA-N 1 0 275.392 3.227 20 10 CGCDRO C[C@@H]([NH2+]C[C@]12CCC[C@H]1OCC2)c1ccc(N(C)C)cc1 ZINC000926915140 638824711 /nfs/dbraw/zinc/82/47/11/638824711.db2.gz DPAOWLJQWMYCIU-ZTFGCOKTSA-N 1 0 288.435 3.362 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@]1(C)CCCCO1)c1ccccc1O ZINC000927017046 638832033 /nfs/dbraw/zinc/83/20/33/638832033.db2.gz IEHBLWCKNVAVJF-GDBMZVCRSA-N 1 0 263.381 3.392 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2C[C@H]3OC(C)(C)O[C@H]3C2)c(O)c1 ZINC000927053122 638835512 /nfs/dbraw/zinc/83/55/12/638835512.db2.gz AKZIIFFOHPKJHP-BHTHQVBYSA-N 1 0 291.391 3.034 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]CC[C@H]1CCC3(CCC3)O1)CC2 ZINC000927123807 638845529 /nfs/dbraw/zinc/84/55/29/638845529.db2.gz BOHBUTQQXIOXQD-CABCVRRESA-N 1 0 287.403 3.461 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C2([C@@H]3CCCCO3)CC2)c1 ZINC000927164081 638849595 /nfs/dbraw/zinc/84/95/95/638849595.db2.gz WXFYUQJEQIYIPL-LRDDRELGSA-N 1 0 291.391 3.153 20 10 CGCDRO CC[C@@H]([NH2+][C@H]1C[C@H](OC)C1)c1cc(Cl)ccc1O ZINC000858583931 638997943 /nfs/dbraw/zinc/99/79/43/638997943.db2.gz JJXOHIGKQNXLSM-NQBHXWOUSA-N 1 0 269.772 3.264 20 10 CGCDRO Cc1cc(C[NH2+][C@@H]2COC[C@H]2C)ccc1N1CCCCC1 ZINC000932491249 639340664 /nfs/dbraw/zinc/34/06/64/639340664.db2.gz JEZYLXHEHVHKAE-NVXWUHKLSA-N 1 0 288.435 3.110 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ncccc1F)c1ccccc1O ZINC000156858792 639983834 /nfs/dbraw/zinc/98/38/34/639983834.db2.gz FYDWPGMHAWCZDJ-CYBMUJFWSA-N 1 0 260.312 3.167 20 10 CGCDRO CC[C@H]([NH2+]Cc1ncccc1F)c1ccccc1O ZINC000156858654 639984286 /nfs/dbraw/zinc/98/42/86/639984286.db2.gz FYDWPGMHAWCZDJ-ZDUSSCGKSA-N 1 0 260.312 3.167 20 10 CGCDRO CC[N@H+](Cc1ccoc1)Cc1ccc(N(C)C)cc1 ZINC000156847004 639984525 /nfs/dbraw/zinc/98/45/25/639984525.db2.gz CNQGRFAFVBJMOI-UHFFFAOYSA-N 1 0 258.365 3.368 20 10 CGCDRO CCOC(C)(C)C[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC000159164736 640033769 /nfs/dbraw/zinc/03/37/69/640033769.db2.gz SSPROIIGBGERHG-UHFFFAOYSA-N 1 0 278.440 3.438 20 10 CGCDRO C[C@H]1CCC[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)CC1 ZINC000191112304 640291201 /nfs/dbraw/zinc/29/12/01/640291201.db2.gz OXKACRXRNBYBCT-WCQYABFASA-N 1 0 277.364 3.179 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCS[C@@H](C)CC2)cc1C ZINC000191664366 640326286 /nfs/dbraw/zinc/32/62/86/640326286.db2.gz GYLGJZUJRLRSJK-ZDUSSCGKSA-N 1 0 265.422 3.336 20 10 CGCDRO C[C@H]1c2cccn2CC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000194156533 640516518 /nfs/dbraw/zinc/51/65/18/640516518.db2.gz JBJJKTZBDHUHRZ-AWEZNQCLSA-N 1 0 269.392 3.131 20 10 CGCDRO CCC[C@](C)(CO)[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC000083469667 640596737 /nfs/dbraw/zinc/59/67/37/640596737.db2.gz WLVHHNLDMRHLQC-QGZVFWFLSA-N 1 0 278.440 3.174 20 10 CGCDRO CC[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000091919363 640726533 /nfs/dbraw/zinc/72/65/33/640726533.db2.gz JJQDILBJXQKNQJ-INIZCTEOSA-N 1 0 288.435 3.145 20 10 CGCDRO C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000092017213 640729044 /nfs/dbraw/zinc/72/90/44/640729044.db2.gz OOXKRSAQVAQPOT-CVEARBPZSA-N 1 0 288.435 3.286 20 10 CGCDRO CCOc1cccc(C[N@H+](C)Cc2ccoc2C)c1O ZINC000092438597 640737841 /nfs/dbraw/zinc/73/78/41/640737841.db2.gz XSLOFZAKTCLUDQ-UHFFFAOYSA-N 1 0 275.348 3.324 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)CN2CCC[C@@H](C)C2)c1 ZINC000248516352 640765432 /nfs/dbraw/zinc/76/54/32/640765432.db2.gz OUBDCJHFSBZIOB-PMPSAXMXSA-N 1 0 290.451 3.472 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000248514585 640765436 /nfs/dbraw/zinc/76/54/36/640765436.db2.gz NOZCDUFLYQUCHY-XJFOESAGSA-N 1 0 263.381 3.307 20 10 CGCDRO Oc1ccccc1CC[NH2+]Cc1c(O)cccc1Cl ZINC000113332551 640976530 /nfs/dbraw/zinc/97/65/30/640976530.db2.gz JWEMUJJYYSJBPW-UHFFFAOYSA-N 1 0 277.751 3.084 20 10 CGCDRO Cc1cc(C)[nH+]c(N2CCCc3cc(O)c(O)cc3C2)c1 ZINC001155933570 805627266 /nfs/dbraw/zinc/62/72/66/805627266.db2.gz YMIPADCMXIDELC-UHFFFAOYSA-N 1 0 284.359 3.062 20 10 CGCDRO Nc1cc[nH+]c(NCc2cc3ccccc3cc2O)c1 ZINC001160206362 806235227 /nfs/dbraw/zinc/23/52/27/806235227.db2.gz MGSATVQLVQYYMF-UHFFFAOYSA-N 1 0 265.316 3.135 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)Cc2ccco2)c1 ZINC000036993774 798853956 /nfs/dbraw/zinc/85/39/56/798853956.db2.gz CEELXWCVTMDKIU-NEPJUHHUSA-N 1 0 275.348 3.276 20 10 CGCDRO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H](C)C2)c1O ZINC000037322638 798865890 /nfs/dbraw/zinc/86/58/90/798865890.db2.gz OYSSWBCZQQORBG-SNVBAGLBSA-N 1 0 281.783 3.480 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)c1 ZINC000246733579 799153179 /nfs/dbraw/zinc/15/31/79/799153179.db2.gz NZUBLPJRDSCGQA-GOEBONIOSA-N 1 0 275.392 3.010 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)[C@@H]1CCCCO1 ZINC000379285562 799348849 /nfs/dbraw/zinc/34/88/49/799348849.db2.gz GUYDNIBVNHYAKT-KDOFPFPSSA-N 1 0 288.435 3.116 20 10 CGCDRO CCOc1cccc(C[NH2+]Cc2cc(C)cs2)c1O ZINC000380880180 799368067 /nfs/dbraw/zinc/36/80/67/799368067.db2.gz JLDIHFRQHALKQC-UHFFFAOYSA-N 1 0 277.389 3.451 20 10 CGCDRO CSCC[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000381569374 799381719 /nfs/dbraw/zinc/38/17/19/799381719.db2.gz WIJQSWZKNVAAFH-SECBINFHSA-N 1 0 259.802 3.368 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2COc3ccccc3O2)c(O)c1 ZINC000386195315 799433226 /nfs/dbraw/zinc/43/32/26/799433226.db2.gz IZZSXRYTUONHRG-KBPBESRZSA-N 1 0 299.370 3.191 20 10 CGCDRO Cc1ccc(C[C@H](C)[NH2+]Cc2ccccc2O)cc1 ZINC001255771856 806742913 /nfs/dbraw/zinc/74/29/13/806742913.db2.gz DMEMFWAVBRZMGC-AWEZNQCLSA-N 1 0 255.361 3.421 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCCOC2)c(O)c1 ZINC000388996688 799458541 /nfs/dbraw/zinc/45/85/41/799458541.db2.gz QAEVZVQOQXONMS-HZSPNIEDSA-N 1 0 263.381 3.166 20 10 CGCDRO C[C@@H]([NH2+]CCc1cnccn1)c1ccc2ccccc2c1O ZINC000390209938 799469454 /nfs/dbraw/zinc/46/94/54/799469454.db2.gz NTTQXSGTDCWUMF-CYBMUJFWSA-N 1 0 293.370 3.229 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1CCCC1(F)F)c1ccccc1O ZINC000390708446 799473521 /nfs/dbraw/zinc/47/35/21/799473521.db2.gz VZHBTHCQSNRSAU-WDEREUQCSA-N 1 0 255.308 3.478 20 10 CGCDRO C[C@@H]([NH2+]CC(C)(C)C(C)(C)O)c1ccc(N(C)C)cc1 ZINC000393595224 799488704 /nfs/dbraw/zinc/48/87/04/799488704.db2.gz AVSOPLNLZLDNQY-CYBMUJFWSA-N 1 0 278.440 3.200 20 10 CGCDRO CC(C)[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)CCCO1 ZINC000394506748 799497065 /nfs/dbraw/zinc/49/70/65/799497065.db2.gz WFJBYXKFPDXTAQ-HNNXBMFYSA-N 1 0 283.799 3.293 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2C[C@@H](C)O[C@H]2C)cc1 ZINC000395091260 799501743 /nfs/dbraw/zinc/50/17/43/799501743.db2.gz ZXSBINYRXQJKFA-JKIFEVAISA-N 1 0 276.424 3.188 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCC[C@H]2CCOC2)c1 ZINC000402012862 799559060 /nfs/dbraw/zinc/55/90/60/799559060.db2.gz BSRGVJARRQOVAY-KGLIPLIRSA-N 1 0 263.381 3.168 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403503279 799566552 /nfs/dbraw/zinc/56/65/52/799566552.db2.gz ZEDXYTDXUZSILB-GARJFASQSA-N 1 0 251.757 3.324 20 10 CGCDRO C[C@H]([NH2+]Cc1ccns1)c1ccc(N(C)C)cc1 ZINC000404397933 799575670 /nfs/dbraw/zinc/57/56/70/799575670.db2.gz TYJJQZAVFAABPC-NSHDSACASA-N 1 0 261.394 3.060 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1C[C@@H](C)O[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000686511434 799734273 /nfs/dbraw/zinc/73/42/73/799734273.db2.gz PKXZIZFWWHQOTL-IXYNUQLISA-N 1 0 276.424 3.217 20 10 CGCDRO FC1(F)CCC([NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000688487380 799748333 /nfs/dbraw/zinc/74/83/33/799748333.db2.gz CXGGXXTVSYKSJL-UHFFFAOYSA-N 1 0 267.319 3.289 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CC[C@@H](C)SC2)c1 ZINC000689562441 799765868 /nfs/dbraw/zinc/76/58/68/799765868.db2.gz SOESTXBXLOOPBF-WOPDTQHZSA-N 1 0 281.421 3.336 20 10 CGCDRO COc1ccc(C[NH2+]CCc2ccc(C)cn2)cc1C ZINC000689505257 799765945 /nfs/dbraw/zinc/76/59/45/799765945.db2.gz PUJBEMLFCBQDHP-UHFFFAOYSA-N 1 0 270.376 3.039 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]C[C@H]2CCC3(CCCC3)O2)c1 ZINC000691816873 799788006 /nfs/dbraw/zinc/78/80/06/799788006.db2.gz ZZUVAGVNXIVVFW-OAHLLOKOSA-N 1 0 275.392 3.282 20 10 CGCDRO Cc1cccc(C[NH2+]C[C@@H]2CCC3(CCCC3)O2)c1O ZINC000691814378 799788094 /nfs/dbraw/zinc/78/80/94/799788094.db2.gz OVQJBBXIOWLEDA-HNNXBMFYSA-N 1 0 275.392 3.282 20 10 CGCDRO COc1ccc(C[NH2+]C[C@@H]2CCC(C)(C)O2)cc1C ZINC000691815056 799788278 /nfs/dbraw/zinc/78/82/78/799788278.db2.gz RMQYPAYNORSQPT-AWEZNQCLSA-N 1 0 263.381 3.051 20 10 CGCDRO C[C@@H]([NH2+]Cc1cccc2c1OCC2)c1ccccc1O ZINC000692975005 799806578 /nfs/dbraw/zinc/80/65/78/799806578.db2.gz MXJWFVBITAKVQN-GFCCVEGCSA-N 1 0 269.344 3.178 20 10 CGCDRO Oc1ccc(Br)cc1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000694268493 799821006 /nfs/dbraw/zinc/82/10/06/799821006.db2.gz YDGAGQITFSXNAC-ZWKOPEQDSA-N 1 0 296.208 3.433 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]C[C@@H]1CCC[C@@H]3C[C@@H]31)CC2 ZINC000694350877 799821926 /nfs/dbraw/zinc/82/19/26/799821926.db2.gz UHMQJBNRYVGKGW-CBBWQLFWSA-N 1 0 257.377 3.405 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H](C)c2cscn2)c1O ZINC000697903424 799849932 /nfs/dbraw/zinc/84/99/32/799849932.db2.gz SIQJPFJNWBWPGL-JTQLQIEISA-N 1 0 262.378 3.262 20 10 CGCDRO Cc1cccc(C[NH2+]Cc2ccc(Cl)o2)c1O ZINC000700540085 799873231 /nfs/dbraw/zinc/87/32/31/799873231.db2.gz JHQNRURVABLEPO-UHFFFAOYSA-N 1 0 251.713 3.237 20 10 CGCDRO CC(F)(F)CC[NH2+]Cc1ccc(Br)cc1O ZINC000701194168 799885196 /nfs/dbraw/zinc/88/51/96/799885196.db2.gz RMGBCNVJYIZTCL-UHFFFAOYSA-N 1 0 294.139 3.290 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCN2C(C)(C)C)c(O)c1 ZINC000701951653 799899147 /nfs/dbraw/zinc/89/91/47/799899147.db2.gz BUDGBNJBEIZDDR-KGLIPLIRSA-N 1 0 276.424 3.224 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+][C@@H](C)C2(C)CC2)c1O ZINC000706905799 799968877 /nfs/dbraw/zinc/96/88/77/799968877.db2.gz QICYCHFQUMTSLJ-VIFPVBQESA-N 1 0 269.772 3.332 20 10 CGCDRO CC1(C)CC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000707136454 799973015 /nfs/dbraw/zinc/97/30/15/799973015.db2.gz RVJFSUZYXIOCMO-UHFFFAOYSA-N 1 0 284.197 3.387 20 10 CGCDRO CC1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000707128899 799974204 /nfs/dbraw/zinc/97/42/04/799974204.db2.gz CDTQSPDLUYQKJL-UHFFFAOYSA-N 1 0 284.197 3.387 20 10 CGCDRO C[C@@H]1CCC[N@@H+]1Cc1c(O)cccc1Br ZINC000707171899 799975541 /nfs/dbraw/zinc/97/55/41/799975541.db2.gz OCEGQHSRQFFILR-SECBINFHSA-N 1 0 270.170 3.139 20 10 CGCDRO C[C@]1(C(F)(F)F)CC[N@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000708435309 799988722 /nfs/dbraw/zinc/98/87/22/799988722.db2.gz ZLUCDVHUVLSXDZ-LBPRGKRZSA-N 1 0 295.251 3.445 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCc2ccns2)c(O)c1 ZINC000710011988 800028068 /nfs/dbraw/zinc/02/80/68/800028068.db2.gz VPDSZSBEZHZWEO-NSHDSACASA-N 1 0 262.378 3.050 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+][C@H](C1CCC1)[C@@H]1CCOC1 ZINC000711839046 800075059 /nfs/dbraw/zinc/07/50/59/800075059.db2.gz DQQIRVDCKLWPJH-MLGOLLRUSA-N 1 0 295.810 3.340 20 10 CGCDRO COc1cccc(C[NH2+][C@@H](C)CC2CCCC2)c1O ZINC000712564746 800093331 /nfs/dbraw/zinc/09/33/31/800093331.db2.gz CMLYKWDWUNRQAF-LBPRGKRZSA-N 1 0 263.381 3.459 20 10 CGCDRO CO[C@H]1C[C@@H]([NH2+]Cc2c(O)cccc2Cl)C12CCC2 ZINC000713470970 800109448 /nfs/dbraw/zinc/10/94/48/800109448.db2.gz NRTMQHFLEFMOMF-KGLIPLIRSA-N 1 0 281.783 3.093 20 10 CGCDRO C[C@H]([NH2+]CC[C@H]1CC(C)(C)CO1)c1cc(F)ccc1O ZINC000717274741 800199339 /nfs/dbraw/zinc/19/93/39/800199339.db2.gz ULVIVMRUTIZVAT-AAEUAGOBSA-N 1 0 281.371 3.387 20 10 CGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]CC1(CO)CCC1 ZINC000717632013 800204511 /nfs/dbraw/zinc/20/45/11/800204511.db2.gz IOMIFEYLIIMZJQ-QWHCGFSZSA-N 1 0 275.392 3.001 20 10 CGCDRO CN(C)c1ccc(C[NH2+]Cc2cnc(Cl)s2)cc1 ZINC000718184358 800214004 /nfs/dbraw/zinc/21/40/04/800214004.db2.gz BOAHINQYGNSTKG-UHFFFAOYSA-N 1 0 281.812 3.152 20 10 CGCDRO Cc1cccc(C[NH2+]CC2(C)CC(F)(F)C2)c1O ZINC000720949327 800273203 /nfs/dbraw/zinc/27/32/03/800273203.db2.gz MTOJUFYAXGWUPS-UHFFFAOYSA-N 1 0 255.308 3.226 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](CCO)C2CCCC2)c1 ZINC000725070892 800370332 /nfs/dbraw/zinc/37/03/32/800370332.db2.gz OAHGLKZMMKGOKW-CJNGLKHVSA-N 1 0 277.408 3.292 20 10 CGCDRO C[C@@H](Cc1ccccn1)[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC001256427415 806894229 /nfs/dbraw/zinc/89/42/29/806894229.db2.gz WNGWREDCMHRSMJ-HNNXBMFYSA-N 1 0 283.419 3.211 20 10 CGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]CCc1nccnc1C ZINC001117751164 802486748 /nfs/dbraw/zinc/48/67/48/802486748.db2.gz POMWQFYNTRXOGZ-SWLSCSKDSA-N 1 0 297.402 3.180 20 10 CGCDRO CCCC[C@@](C)(CO)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001118239005 802541405 /nfs/dbraw/zinc/54/14/05/802541405.db2.gz XACQNFDFRWVICW-SFHVURJKSA-N 1 0 290.451 3.318 20 10 CGCDRO CCc1cccc(NC(=O)C[NH2+][C@H](C)c2ccccc2O)c1 ZINC001119316791 802648578 /nfs/dbraw/zinc/64/85/78/802648578.db2.gz FQXXNVIFQWCZGS-CYBMUJFWSA-N 1 0 298.386 3.244 20 10 CGCDRO FC(F)CCC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001119612420 802684111 /nfs/dbraw/zinc/68/41/11/802684111.db2.gz DYIPUEHNDTXRMD-UHFFFAOYSA-N 1 0 255.308 3.147 20 10 CGCDRO CCOC(OCC)[C@H](C)[NH2+]Cc1cc(C(C)C)ccc1O ZINC001184451681 810200877 /nfs/dbraw/zinc/20/08/77/810200877.db2.gz MZBJRIRQZOSUSB-ZDUSSCGKSA-N 1 0 295.423 3.393 20 10 CGCDRO CNc1ccccc1NCC1C[NH+](Cc2ccccc2)C1 ZINC001165468838 807003754 /nfs/dbraw/zinc/00/37/54/807003754.db2.gz HBEIEWFLRHAHGW-UHFFFAOYSA-N 1 0 281.403 3.272 20 10 CGCDRO CC[N@H+](Cc1cnc2cc(C)ccn12)Cc1ccccc1O ZINC001136891139 803659484 /nfs/dbraw/zinc/65/94/84/803659484.db2.gz KGHBXAXFLJDBNN-UHFFFAOYSA-N 1 0 295.386 3.370 20 10 CGCDRO [O-]c1cccc(F)c1C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC001137839120 803779783 /nfs/dbraw/zinc/77/97/83/803779783.db2.gz RRVMEKWBPBPGFH-OAHLLOKOSA-N 1 0 257.308 3.478 20 10 CGCDRO Cc1cc(C[N@H+]2CC[C@@H](O)C[C@@H]2C)c(C)n1-c1ccccc1 ZINC001137858176 803785458 /nfs/dbraw/zinc/78/54/58/803785458.db2.gz ZNWODWVINPJADP-IFXJQAMLSA-N 1 0 298.430 3.439 20 10 CGCDRO C[N@H+](Cc1ccc(N2CCCCC2)cc1)Cc1ccncn1 ZINC001138222124 803874491 /nfs/dbraw/zinc/87/44/91/803874491.db2.gz HIOGYXQMVLGMHW-UHFFFAOYSA-N 1 0 296.418 3.099 20 10 CGCDRO Cc1c(CN2CCC([NH+](C)C)CC2)c2ccccc2n1C ZINC001138252533 803879405 /nfs/dbraw/zinc/87/94/05/803879405.db2.gz KFRSWGHUFOCWIO-UHFFFAOYSA-N 1 0 285.435 3.013 20 10 CGCDRO Cc1c(CN2CC[N@@H+]3CCCC[C@@H]3C2)c2ccccc2n1C ZINC001138256782 803881838 /nfs/dbraw/zinc/88/18/38/803881838.db2.gz KMZYFGPESGVXCV-MRXNPFEDSA-N 1 0 297.446 3.157 20 10 CGCDRO CSCC[N@H+](C)Cc1c(C)n(C)c2ccccc21 ZINC001138259347 803884002 /nfs/dbraw/zinc/88/40/02/803884002.db2.gz GOJQSQGPTZZFCG-UHFFFAOYSA-N 1 0 262.422 3.282 20 10 CGCDRO Oc1c(C[N@@H+]2C[C@H]3CC[C@@H]2C3)cc2c3c1CCCN3CCC2 ZINC001138339579 803899499 /nfs/dbraw/zinc/89/94/99/803899499.db2.gz HPOWPPPDDZKQRF-XJKSGUPXSA-N 1 0 298.430 3.075 20 10 CGCDRO CN1CCCc2cc(C[NH+]3CCC4(CC4)CC3)ccc21 ZINC001138354599 803900277 /nfs/dbraw/zinc/90/02/77/803900277.db2.gz ORZVUJKKEVJONT-UHFFFAOYSA-N 1 0 270.420 3.445 20 10 CGCDRO C[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccc2c(c1)CCCN2C ZINC001138354966 803901468 /nfs/dbraw/zinc/90/14/68/803901468.db2.gz XACFSOABWCQFLF-DOMZBBRYSA-N 1 0 262.372 3.001 20 10 CGCDRO CC[N@H+](Cc1cnc2[nH]ccc2c1)Cc1ccccc1O ZINC001138737290 804026386 /nfs/dbraw/zinc/02/63/86/804026386.db2.gz GAGWDOPWWXDMSA-UHFFFAOYSA-N 1 0 281.359 3.291 20 10 CGCDRO CC[C@H](Cc1ccccc1)[NH2+]Cc1ccc(N)cc1 ZINC001246169590 804184651 /nfs/dbraw/zinc/18/46/51/804184651.db2.gz IADQVLPUFMMXND-QGZVFWFLSA-N 1 0 254.377 3.380 20 10 CGCDRO Cc1cc(C[N@@H+]2CC[C@](C)(F)[C@@H](F)C2)ccc1N(C)C ZINC001139669615 804245012 /nfs/dbraw/zinc/24/50/12/804245012.db2.gz DLUNKFJSEUKREA-HOTGVXAUSA-N 1 0 282.378 3.333 20 10 CGCDRO Cc1cc(C[N@@H+]2CC3CCC2CC3)ccc1N(C)C ZINC001139673512 804247022 /nfs/dbraw/zinc/24/70/22/804247022.db2.gz SIFMVMUJJFUEJS-UHFFFAOYSA-N 1 0 258.409 3.435 20 10 CGCDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@H](F)C(F)(F)CC1 ZINC001140057408 804364779 /nfs/dbraw/zinc/36/47/79/804364779.db2.gz GKILFOAVTBIQHK-LBPRGKRZSA-N 1 0 277.261 3.101 20 10 CGCDRO Cc1ccc(C)c(C[N@@H+]2CCC3(C2)CCOCC3)c1O ZINC001140179694 804396834 /nfs/dbraw/zinc/39/68/34/804396834.db2.gz MHTQCIGZZAZYCH-UHFFFAOYSA-N 1 0 275.392 3.012 20 10 CGCDRO Oc1cccc(Cl)c1C[N@@H+]1CC[C@H]2CCCO[C@H]2C1 ZINC001140339190 804420511 /nfs/dbraw/zinc/42/05/11/804420511.db2.gz UUYFZWWXVYNSJS-ABAIWWIYSA-N 1 0 281.783 3.047 20 10 CGCDRO Oc1cc(Cl)ccc1C[N@@H+]1CC[C@@H]2CCCO[C@@H]2C1 ZINC001140463082 804441229 /nfs/dbraw/zinc/44/12/29/804441229.db2.gz RWHSMNPTVDSVSP-XHDPSFHLSA-N 1 0 281.783 3.047 20 10 CGCDRO CC1(C)[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3O)C[C@@H]21 ZINC001140465868 804443811 /nfs/dbraw/zinc/44/38/11/804443811.db2.gz SSFGFAUZJPDASS-TXEJJXNPSA-N 1 0 251.757 3.133 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H]2COCc2ccccc2)c1 ZINC001140621291 804476192 /nfs/dbraw/zinc/47/61/92/804476192.db2.gz URTIZQUCDRAWIA-SFHVURJKSA-N 1 0 297.398 3.492 20 10 CGCDRO COC(C)(C)[C@@H]1CCC[N@@H+]1Cc1cc(C)ccc1O ZINC001140621330 804476844 /nfs/dbraw/zinc/47/68/44/804476844.db2.gz WIFMBTVTPNEXCP-HNNXBMFYSA-N 1 0 263.381 3.090 20 10 CGCDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@@H]2c2cccnc2)c1O ZINC001140742649 804502485 /nfs/dbraw/zinc/50/24/85/804502485.db2.gz TXRHQXVTFPOOAR-OAHLLOKOSA-N 1 0 284.359 3.138 20 10 CGCDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@](C)(F)CC2)c1O ZINC001140742640 804503069 /nfs/dbraw/zinc/50/30/69/804503069.db2.gz TVBWYLBAXYXRRJ-HNNXBMFYSA-N 1 0 267.344 3.120 20 10 CGCDRO CO[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2Cl)[C@@H](C)C1 ZINC001140927520 804551371 /nfs/dbraw/zinc/55/13/71/804551371.db2.gz SWFCOBINNGCTQN-WFASDCNBSA-N 1 0 296.842 3.405 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCC[C@](C)(F)CC2)c(O)c1 ZINC001140948157 804555731 /nfs/dbraw/zinc/55/57/31/804555731.db2.gz VWUZMYUMZRHZLX-HNNXBMFYSA-N 1 0 251.345 3.415 20 10 CGCDRO Cc1ccc(O[C@H]2CC[N@H+](Cc3ccc(C)cc3O)C2)nc1 ZINC001140954448 804558760 /nfs/dbraw/zinc/55/87/60/804558760.db2.gz RWUZTMKYFVXXAO-INIZCTEOSA-N 1 0 298.386 3.057 20 10 CGCDRO Cc1cccc(C[N@@H+](C)Cc2ccc3c(c2)OCCN3C)c1 ZINC001141141019 804596913 /nfs/dbraw/zinc/59/69/13/804596913.db2.gz SCJQYLXBLADWHW-UHFFFAOYSA-N 1 0 296.414 3.456 20 10 CGCDRO C[N@H+](Cc1cccc(Cl)c1)Cc1cc(O)ccc1O ZINC001141158782 804600407 /nfs/dbraw/zinc/60/04/07/804600407.db2.gz NEYZFLBHAUCRAM-UHFFFAOYSA-N 1 0 277.751 3.383 20 10 CGCDRO CC1(C)C[N@H+](Cc2cc(O)ccc2O)Cc2ccccc21 ZINC001141159167 804600659 /nfs/dbraw/zinc/60/06/59/804600659.db2.gz APVILKYWHMQAEP-UHFFFAOYSA-N 1 0 283.371 3.391 20 10 CGCDRO COc1ccc2c(c1)C[N@@H+](Cc1cc(O)ccc1O)CCC2 ZINC001141162467 804601201 /nfs/dbraw/zinc/60/12/01/804601201.db2.gz SSFQLXAAWRRBFG-UHFFFAOYSA-N 1 0 299.370 3.055 20 10 CGCDRO C[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001142525041 804731782 /nfs/dbraw/zinc/73/17/82/804731782.db2.gz UUIQQOWVSYCHHC-VHSXEESVSA-N 1 0 255.308 3.291 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccnc3[nH]ccc32)cc1 ZINC001142883942 804780291 /nfs/dbraw/zinc/78/02/91/804780291.db2.gz SRBQSPQKMCFRME-UHFFFAOYSA-N 1 0 294.402 3.261 20 10 CGCDRO CC(C)(C)c1cccc(C[N@@H+]2CCCC[C@](C)(O)C2)c1O ZINC001143104600 804801041 /nfs/dbraw/zinc/80/10/41/804801041.db2.gz WBKCGLFKMIYYEU-SFHVURJKSA-N 1 0 291.435 3.427 20 10 CGCDRO C[N@H+](Cc1cccc(C(C)(C)C)c1O)C1CCOCC1 ZINC001143103314 804801957 /nfs/dbraw/zinc/80/19/57/804801957.db2.gz ACWQMMMESSNBGS-UHFFFAOYSA-N 1 0 277.408 3.301 20 10 CGCDRO CC(C)(C)c1cccc(C[N@H+](C2CC2)C2COC2)c1O ZINC001143111876 804803217 /nfs/dbraw/zinc/80/32/17/804803217.db2.gz HEWZKCSHUNMWBP-UHFFFAOYSA-N 1 0 275.392 3.053 20 10 CGCDRO CN(C)C[C@@H]1CCC[N@@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001143110513 804804253 /nfs/dbraw/zinc/80/42/53/804804253.db2.gz HODLIPUIXGXSAW-HNNXBMFYSA-N 1 0 290.451 3.216 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@H]3CC[NH2+]3)n2)cc1 ZINC001248284662 804908500 /nfs/dbraw/zinc/90/85/00/804908500.db2.gz OHYMSGLVUIDLLJ-OAHLLOKOSA-N 1 0 294.358 3.179 20 10 CGCDRO CCCC[NH+](CCCC)Cc1c(O)cc(O)cc1O ZINC001144514853 804997819 /nfs/dbraw/zinc/99/78/19/804997819.db2.gz VCMGTBQOEMSXGE-UHFFFAOYSA-N 1 0 267.369 3.206 20 10 CGCDRO Oc1cccc2c1C[N@H+](Cc1cccc3cc[nH]c31)CC2 ZINC001144718597 805038771 /nfs/dbraw/zinc/03/87/71/805038771.db2.gz SKGBOVCBSDXJSZ-UHFFFAOYSA-N 1 0 278.355 3.432 20 10 CGCDRO Cc1cc(C)c(C[NH2+]C2C[C@H](C)O[C@@H](C)C2)c(O)c1 ZINC001257083346 807047461 /nfs/dbraw/zinc/04/74/61/807047461.db2.gz HCOIFPPLZMUPPP-STQMWFEESA-N 1 0 263.381 3.055 20 10 CGCDRO CC[NH2+]Cc1nc(-c2ccc(-n3c(C)ccc3C)cc2)no1 ZINC001249136576 805095104 /nfs/dbraw/zinc/09/51/04/805095104.db2.gz SRGPAZLKVIWPJA-UHFFFAOYSA-N 1 0 296.374 3.254 20 10 CGCDRO CC[N@H+](Cc1ccc(OC)c(C)n1)Cc1ccccc1O ZINC001249906360 805296197 /nfs/dbraw/zinc/29/61/97/805296197.db2.gz DNRJZBRWKDAICN-UHFFFAOYSA-N 1 0 286.375 3.126 20 10 CGCDRO COc1cc(C[N@H+](C)Cc2ccccc2O)cnc1Cl ZINC001249930907 805312522 /nfs/dbraw/zinc/31/25/22/805312522.db2.gz AFBWQSNHWFRJQE-UHFFFAOYSA-N 1 0 292.766 3.081 20 10 CGCDRO CCC[C@H](C)[NH+]1CCN(c2ccc(OC)cc2OC)CC1 ZINC001257328197 807110599 /nfs/dbraw/zinc/11/05/99/807110599.db2.gz QWMLQTQNMMWWLY-AWEZNQCLSA-N 1 0 292.423 3.014 20 10 CGCDRO CCC[C@@H](C)CC[C@H](C)[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001257462620 807168156 /nfs/dbraw/zinc/16/81/56/807168156.db2.gz DPBBVQWWAFNWDF-IGCXYCKISA-N 1 0 295.423 3.326 20 10 CGCDRO CCC[C@H](C)CC[C@@H](C)[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001257462618 807168223 /nfs/dbraw/zinc/16/82/23/807168223.db2.gz DPBBVQWWAFNWDF-AHIWAGSCSA-N 1 0 295.423 3.326 20 10 CGCDRO CC[N@H+](Cc1ccccc1O)[C@@H]1CCCSC1 ZINC001257681023 807214084 /nfs/dbraw/zinc/21/40/84/807214084.db2.gz NFBIHXQMCVKFIG-CYBMUJFWSA-N 1 0 251.395 3.110 20 10 CGCDRO CC[N@H+](Cc1ccccc1O)C1CCC2(COC2)CC1 ZINC001257911218 807251041 /nfs/dbraw/zinc/25/10/41/807251041.db2.gz VRUKROCSTUACLV-UHFFFAOYSA-N 1 0 275.392 3.173 20 10 CGCDRO CSC(C)(C)C[C@@H](C)[NH2+]Cc1ccccc1O ZINC001258317496 807407444 /nfs/dbraw/zinc/40/74/44/807407444.db2.gz ZLPHBGLQOYUHMV-LLVKDONJSA-N 1 0 253.411 3.402 20 10 CGCDRO CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H](F)C2)c(O)c1 ZINC001261493570 807751083 /nfs/dbraw/zinc/75/10/83/807751083.db2.gz ICVNYJGNUCSGKT-CHWSQXEVSA-N 1 0 267.344 3.161 20 10 CGCDRO CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+]Cc1ccc(N)cc1 ZINC001262488315 807867713 /nfs/dbraw/zinc/86/77/13/807867713.db2.gz YFYURBKARSLKBU-GDBMZVCRSA-N 1 0 276.424 3.200 20 10 CGCDRO C[C@H]([NH2+][C@@H]1Cc2cccc(F)c2C1)c1ccccc1O ZINC001171777135 808137002 /nfs/dbraw/zinc/13/70/02/808137002.db2.gz IYFLSIFRWZBTJR-WCQYABFASA-N 1 0 271.335 3.349 20 10 CGCDRO C[N@H+](Cc1ccccc1O)[C@H]1Cc2cccc(F)c2C1 ZINC001171807124 808145578 /nfs/dbraw/zinc/14/55/78/808145578.db2.gz PYHQCVAAYJYYRO-AWEZNQCLSA-N 1 0 271.335 3.131 20 10 CGCDRO CCOCC[C@H](C)[NH2+]Cc1cc2ccccc2cc1O ZINC001172418871 808302364 /nfs/dbraw/zinc/30/23/64/808302364.db2.gz HHMMLRMQNWUQDT-ZDUSSCGKSA-N 1 0 273.376 3.450 20 10 CGCDRO Cc1cc(Nc2c(O)ccc3ccccc32)cc[nH+]1 ZINC001174657635 809120186 /nfs/dbraw/zinc/12/01/86/809120186.db2.gz YZKNRTOSMQLPTE-UHFFFAOYSA-N 1 0 250.301 3.414 20 10 CGCDRO Cc1cc(O)c(CNCCC[NH+]2CCCCC2)c(Cl)c1 ZINC001177133009 809782108 /nfs/dbraw/zinc/78/21/08/809782108.db2.gz ORPIUKSGYXSUNZ-UHFFFAOYSA-N 1 0 296.842 3.320 20 10 CGCDRO CN(C)c1cc[nH+]c(NCc2cc(Cl)cc(F)c2O)c1 ZINC001178301193 809858662 /nfs/dbraw/zinc/85/86/62/809858662.db2.gz WFUWHVQXEFWGGK-UHFFFAOYSA-N 1 0 295.745 3.258 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@@H](CC)C(C)(C)O)cc1C ZINC001178826763 809890034 /nfs/dbraw/zinc/89/00/34/809890034.db2.gz IVLUWJQMDKHSQE-INIZCTEOSA-N 1 0 279.424 3.423 20 10 CGCDRO CO[C@@H](C[NH2+]C/C=C\c1ccc(N(C)C)cc1)CC(C)C ZINC001178977886 809897269 /nfs/dbraw/zinc/89/72/69/809897269.db2.gz RGYAIIADJFWSIO-HPFMTEOYSA-N 1 0 290.451 3.417 20 10 CGCDRO CCC(O)(CC)C[N@H+](C)Cc1ccc(Cl)cc1O ZINC001183196509 810139824 /nfs/dbraw/zinc/13/98/24/810139824.db2.gz DBKWVWNYXMFPOS-UHFFFAOYSA-N 1 0 271.788 3.029 20 10 CGCDRO COc1cc(C)c(C[NH2+]C[C@]23C[C@H]2CCCC3)c(O)c1 ZINC001183834613 810164033 /nfs/dbraw/zinc/16/40/33/810164033.db2.gz WYONSNZXGDVCPF-DYVFJYSZSA-N 1 0 275.392 3.379 20 10 CGCDRO C[C@H]1CN(Cc2ccccc2O)CC[N@@H+]1C1CCCCC1 ZINC001203562719 812394046 /nfs/dbraw/zinc/39/40/46/812394046.db2.gz OZUBWDWWPMAGEJ-HNNXBMFYSA-N 1 0 288.435 3.231 20 10 CGCDRO COc1ccc(C[N@@H+]2CCC[C@H](C)[C@H](C)C2)c(O)c1 ZINC001203621313 812409306 /nfs/dbraw/zinc/40/93/06/812409306.db2.gz SOWSXKQCYRUNCH-QWHCGFSZSA-N 1 0 263.381 3.269 20 10 CGCDRO C[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(O)cc1O ZINC001204281058 812596871 /nfs/dbraw/zinc/59/68/71/812596871.db2.gz OVEWWVGWWPXDJL-LBPRGKRZSA-N 1 0 269.344 3.045 20 10 CGCDRO c1cncc(C2C[NH+](Cc3ccc(N4CCCC4)cc3)C2)c1 ZINC001204320793 812611307 /nfs/dbraw/zinc/61/13/07/812611307.db2.gz ARCVHTHBRJDGCN-UHFFFAOYSA-N 1 0 293.414 3.281 20 10 CGCDRO c1cc(N2CCCC2)ccc1C[NH+]1CC2(CCC2)C1 ZINC001204324116 812613361 /nfs/dbraw/zinc/61/33/61/812613361.db2.gz KRWXZDZZSNIHPC-UHFFFAOYSA-N 1 0 256.393 3.273 20 10 CGCDRO COc1cc(C[N@@H+]2CC[C@@H](c3ccccc3)C2)cc(O)c1O ZINC001204343841 812615697 /nfs/dbraw/zinc/61/56/97/812615697.db2.gz TTXUFRHSAITKOI-OAHLLOKOSA-N 1 0 299.370 3.096 20 10 CGCDRO CO[C@]1(C)C[C@H]([N@H+](C)Cc2ccc(C)cc2O)C1(C)C ZINC001204359001 812620774 /nfs/dbraw/zinc/62/07/74/812620774.db2.gz NYRWXWMLCCOHTH-DOTOQJQBSA-N 1 0 277.408 3.336 20 10 CGCDRO Cc1ccc(N2CC[NH+](Cc3ccc(N)cc3)CC2)cc1C ZINC001204622042 812692476 /nfs/dbraw/zinc/69/24/76/812692476.db2.gz XZEQFSILPUCVEZ-UHFFFAOYSA-N 1 0 295.430 3.208 20 10 CGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CC[C@@]3(CCOC3)C2)c1 ZINC001204790318 812737629 /nfs/dbraw/zinc/73/76/29/812737629.db2.gz LDFVXZQUFYMXQV-QGZVFWFLSA-N 1 0 275.392 3.128 20 10 CGCDRO CC(C)(C)c1ccc(CN2CCCC[C@H]2C[NH3+])c(O)c1 ZINC001204932269 812782335 /nfs/dbraw/zinc/78/23/35/812782335.db2.gz IUKBZAZVMAWLSD-HNNXBMFYSA-N 1 0 276.424 3.003 20 10 CGCDRO COc1ccc(C[N@@H+]2CCc3cccc(O)c3C2)c(F)c1 ZINC001204933578 812783668 /nfs/dbraw/zinc/78/36/68/812783668.db2.gz CKXPYNPOHWGLLX-UHFFFAOYSA-N 1 0 287.334 3.098 20 10 CGCDRO Cc1c(CN2C[C@@H](C)CC[C@H]2C[NH3+])c2ccccc2n1C ZINC001205814285 813092046 /nfs/dbraw/zinc/09/20/46/813092046.db2.gz BYCMBKQLHVRODL-ZFWWWQNUSA-N 1 0 285.435 3.046 20 10 CGCDRO [NH3+][C@@H]1CCCCN(Cc2c(O)ccc(Cl)c2Cl)C1 ZINC001205939256 813141915 /nfs/dbraw/zinc/14/19/15/813141915.db2.gz PCJODDZWALRYFX-SECBINFHSA-N 1 0 289.206 3.012 20 10 CGCDRO CCCN(CC)C[C@H](C)[NH2+]Cc1ccc(Cl)cc1O ZINC001206128758 813208492 /nfs/dbraw/zinc/20/84/92/813208492.db2.gz ZRXQVJNAPQZNAF-LBPRGKRZSA-N 1 0 284.831 3.256 20 10 CGCDRO COc1cc(C)c(C[NH2+]CC[C@@H]2CC[C@H]3C[C@H]32)c(O)c1 ZINC001207570840 813596639 /nfs/dbraw/zinc/59/66/39/813596639.db2.gz UUADVWVDEYAYRV-YDHLFZDLSA-N 1 0 275.392 3.235 20 10 CGCDRO Cc1cc(Cl)ncc1C[N@@H+](C)Cc1ccccc1O ZINC001209634446 814102242 /nfs/dbraw/zinc/10/22/42/814102242.db2.gz SABIHESRPYRFFC-UHFFFAOYSA-N 1 0 276.767 3.381 20 10 CGCDRO COc1c[nH+]ccc1Nc1cc2ccccc2cc1O ZINC001211263100 814865199 /nfs/dbraw/zinc/86/51/99/814865199.db2.gz GELRSMDGYLEYAV-UHFFFAOYSA-N 1 0 266.300 3.115 20 10 CGCDRO O=C1C=CC(=NNc2ccc(OC3C[NH2+]C3)cc2)C=C1 ZINC001218052628 816075647 /nfs/dbraw/zinc/07/56/47/816075647.db2.gz LKYPJLSJXZQEJP-UHFFFAOYSA-N 1 0 269.304 3.158 20 10 CGCDRO CC(C)(C)c1ccc(CN2CC[C@@]23CCC[NH2+]C3)c(O)c1 ZINC001222198983 816373485 /nfs/dbraw/zinc/37/34/85/816373485.db2.gz ZEVBCODICLRXHU-GOSISDBHSA-N 1 0 288.435 3.018 20 10 CGCDRO Oc1cc2ccccc2cc1CN1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001222436373 816445494 /nfs/dbraw/zinc/44/54/94/816445494.db2.gz WQQULXUYDQWULF-LJQANCHMSA-N 1 0 296.414 3.263 20 10 CGCDRO CCCCN1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC001231590112 818130006 /nfs/dbraw/zinc/13/00/06/818130006.db2.gz KDADRUXNUDBNCD-UHFFFAOYSA-N 1 0 298.430 3.463 20 10 CGCDRO Cc1cccc(C[N@H+]2CCN(C)[C@H](c3ccccc3)C2)c1O ZINC001231593909 818131638 /nfs/dbraw/zinc/13/16/38/818131638.db2.gz WQAZIENZHLLUQB-SFHVURJKSA-N 1 0 296.414 3.189 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCC[C@@H](Oc3ccncc3)C2)c1O ZINC001231595519 818133981 /nfs/dbraw/zinc/13/39/81/818133981.db2.gz XZRDUPSJNXSXJS-QGZVFWFLSA-N 1 0 298.386 3.139 20 10 CGCDRO Cc1cc(C)c(C[N@@H+]2CC[C@@H](c3ccncc3)C2)c(O)c1 ZINC001231843797 818186479 /nfs/dbraw/zinc/18/64/79/818186479.db2.gz AUMIKSNUTLPKSY-MRXNPFEDSA-N 1 0 282.387 3.394 20 10 CGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cc(OC)ccn1 ZINC001231969655 818219959 /nfs/dbraw/zinc/21/99/59/818219959.db2.gz OVNJIZJJSHSVCT-UHFFFAOYSA-N 1 0 299.418 3.178 20 10 CGCDRO CC[NH+](CC)Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232198166 818274886 /nfs/dbraw/zinc/27/48/86/818274886.db2.gz JOXXAXBZMWIYIS-UHFFFAOYSA-N 1 0 282.815 3.018 20 10 CGCDRO C[C@H]1CCC[N@H+](Cc2cc(Cl)c(O)cc2O)CC1 ZINC001232261269 818295898 /nfs/dbraw/zinc/29/58/98/818295898.db2.gz YDYVPXFDLYPPGS-JTQLQIEISA-N 1 0 269.772 3.373 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](C)C2)cc1Cl ZINC001232266156 818297781 /nfs/dbraw/zinc/29/77/81/818297781.db2.gz QZSGYOZBJRILBT-JTQLQIEISA-N 1 0 269.772 3.286 20 10 CGCDRO CCC[N@@H+](Cc1ccc(N(C)C)cc1O)CC1CC1 ZINC001232835188 818451746 /nfs/dbraw/zinc/45/17/46/818451746.db2.gz YXDSIHSAZSIILO-UHFFFAOYSA-N 1 0 262.397 3.080 20 10 CGCDRO C[C@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2O)C[C@H]1C ZINC001232834855 818451856 /nfs/dbraw/zinc/45/18/56/818451856.db2.gz OSTUFCNUHJBBGJ-UONOGXRCSA-N 1 0 276.424 3.326 20 10 CGCDRO CN(C)c1ccc(C[NH+]2CC3CCC(CC3)C2)c(O)c1 ZINC001232841093 818453206 /nfs/dbraw/zinc/45/32/06/818453206.db2.gz SBWYMOAIUCXIAY-UHFFFAOYSA-N 1 0 274.408 3.080 20 10 CGCDRO CCOC(=O)c1c(C[N@H+](C)C(C)C)c2ccccc2n1C ZINC001233270668 818560073 /nfs/dbraw/zinc/56/00/73/818560073.db2.gz VWTQISOITCMUJD-UHFFFAOYSA-N 1 0 288.391 3.195 20 10 CGCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CCCCC23COC3)c1 ZINC001233286412 818568085 /nfs/dbraw/zinc/56/80/85/818568085.db2.gz STKHEXIAZVZWIZ-UHFFFAOYSA-N 1 0 289.419 3.445 20 10 CGCDRO CC[C@@]12C[C@@H](CO1)[N@H+](Cc1cc(C(C)(C)C)ccc1O)C2 ZINC001233286803 818568818 /nfs/dbraw/zinc/56/88/18/818568818.db2.gz JGVUYYDSBRDUNE-YJBOKZPZSA-N 1 0 289.419 3.443 20 10 CGCDRO COc1cc(Cl)cc(C[N@@H+]2C[C@@H](C)CC23CC3)c1O ZINC001233290770 818569708 /nfs/dbraw/zinc/56/97/08/818569708.db2.gz VGCKBQSOXKRHNQ-JTQLQIEISA-N 1 0 281.783 3.429 20 10 CGCDRO C[N@H+](Cc1ccc(C(C)(C)C)cc1O)[C@H]1CC[C@H](O)CC1 ZINC001235676944 819136323 /nfs/dbraw/zinc/13/63/23/819136323.db2.gz YCWOGBYXFGDFBC-WKILWMFISA-N 1 0 291.435 3.425 20 10 CGCDRO CC(C)(C)c1ccc(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)c(O)c1 ZINC001235677413 819138819 /nfs/dbraw/zinc/13/88/19/819138819.db2.gz DPFOFJUVTJQWKY-GJZGRUSLSA-N 1 0 289.419 3.158 20 10 CGCDRO CC(C)(C)c1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC(=O)C3)c(O)c1 ZINC001235681854 819140451 /nfs/dbraw/zinc/14/04/51/819140451.db2.gz LPMRJLSLWQNHCU-GASCZTMLSA-N 1 0 287.403 3.386 20 10 CGCDRO Cc1ccc([C@]2(C)C[N@H+](Cc3ccc(N)cc3)CCO2)cc1 ZINC001235947983 819237760 /nfs/dbraw/zinc/23/77/60/819237760.db2.gz JGWBULQPCUEFGX-IBGZPJMESA-N 1 0 296.414 3.325 20 10 CGCDRO CCN(Cc1ccc(N(C)C)c2ccccc12)[C@H]1CC[NH2+]C1 ZINC001235970126 819254141 /nfs/dbraw/zinc/25/41/41/819254141.db2.gz IZJLNPWHOYNTDV-INIZCTEOSA-N 1 0 297.446 3.090 20 10 CGCDRO CCN(Cc1c2ccccc2n(C)c1C)[C@H]1CCC[NH2+]C1 ZINC001236007358 819270492 /nfs/dbraw/zinc/27/04/92/819270492.db2.gz YTVHEXBIHUQMDH-HNNXBMFYSA-N 1 0 285.435 3.061 20 10 CGCDRO CCCC[C@@H]1CN(Cc2ccc(N(C)C)c(C)c2)CC[NH2+]1 ZINC001236137908 819339148 /nfs/dbraw/zinc/33/91/48/819339148.db2.gz DBKSYAVWQOQFGA-QGZVFWFLSA-N 1 0 289.467 3.025 20 10 CGCDRO CC(C)c1ccc(CN2CCC[C@H]([NH2+]C3CC3)C2)c(O)c1 ZINC001236221878 819387449 /nfs/dbraw/zinc/38/74/49/819387449.db2.gz GEYMKYWRGDHCBY-KRWDZBQOSA-N 1 0 288.435 3.232 20 10 CGCDRO CC(C)CN(Cc1c(O)cccc1Cl)[C@@H]1CCC[NH2+]C1 ZINC001236477530 819495636 /nfs/dbraw/zinc/49/56/36/819495636.db2.gz GSUQHTCDZWWFGE-CYBMUJFWSA-N 1 0 296.842 3.256 20 10 CGCDRO CCc1ccc(C[N@@H+]2CC[C@](C)(F)[C@H](F)C2)c(O)c1 ZINC001236783896 819593513 /nfs/dbraw/zinc/59/35/13/819593513.db2.gz PNWLEEMILXTQLF-CABCVRRESA-N 1 0 269.335 3.227 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CCC[C@H](C)[C@@H]2C)c(O)c1 ZINC001236813363 819603754 /nfs/dbraw/zinc/60/37/54/819603754.db2.gz JCWZFLKCRVVCKE-AAEUAGOBSA-N 1 0 263.381 3.330 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2cc3ccccc3cc2O)C[C@]1(C)O ZINC001236826187 819608005 /nfs/dbraw/zinc/60/80/05/819608005.db2.gz HXOCYZBFNKYFBV-ACJLOTCBSA-N 1 0 285.387 3.138 20 10 CGCDRO C[C@H]1CCC[N@H+](Cc2cc3ccccc3cc2O)[C@H]1CO ZINC001236827140 819609292 /nfs/dbraw/zinc/60/92/92/819609292.db2.gz PWJCHAWADCYVMP-GUYCJALGSA-N 1 0 285.387 3.138 20 10 CGCDRO Oc1cc2ccccc2cc1C[NH+]1CC2(C1)CCOCC2 ZINC001236842547 819618337 /nfs/dbraw/zinc/61/83/37/819618337.db2.gz XGYVFJYDTGBNQY-UHFFFAOYSA-N 1 0 283.371 3.158 20 10 CGCDRO CC(C)c1ccc(CN(C)CC[NH+]2CCCC2)c(O)c1 ZINC001237049645 819652693 /nfs/dbraw/zinc/65/26/93/819652693.db2.gz QSCKYYLKUBACCJ-UHFFFAOYSA-N 1 0 276.424 3.043 20 10 CGCDRO CC(C)c1ccc(CN2CC[C@@H]([N@@H+](C)C(C)C)C2)c(O)c1 ZINC001237055392 819655121 /nfs/dbraw/zinc/65/51/21/819655121.db2.gz OANRWTRPWZHGSW-QGZVFWFLSA-N 1 0 290.451 3.430 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)CC2OC=CC2=S)cc1 ZINC001237186910 819691558 /nfs/dbraw/zinc/69/15/58/819691558.db2.gz VSBBSMCMMJGVSE-UHFFFAOYSA-N 1 0 276.405 3.266 20 10 CGCDRO Cc1c(C[N@@H+]2CCNC3=CCCC[C@H]32)c2ccccc2n1C ZINC001237220123 819700655 /nfs/dbraw/zinc/70/06/55/819700655.db2.gz QTBHAWQQEVLKTH-LJQANCHMSA-N 1 0 295.430 3.328 20 10 CGCDRO Oc1ccc2ccccc2c1C[N@@H+]1CCNC2=CCCC[C@H]21 ZINC001237224257 819702496 /nfs/dbraw/zinc/70/24/96/819702496.db2.gz CHXAUYZXUCQDCQ-GOSISDBHSA-N 1 0 294.398 3.387 20 10 CGCDRO CC[N@H+](Cc1ccccc1O)Cc1ccccc1NC(C)=O ZINC001237411980 819747371 /nfs/dbraw/zinc/74/73/71/819747371.db2.gz FKQXNBAAYFYUEV-UHFFFAOYSA-N 1 0 298.386 3.373 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2CC[C@H](C)C2)cc1Br ZINC001237677899 819803564 /nfs/dbraw/zinc/80/35/64/819803564.db2.gz RSNWVKKGAMFTFQ-VIFPVBQESA-N 1 0 284.197 3.305 20 10 CGCDRO Cc1cc(O)c(C[N@@H+](C)C2CC2)cc1Br ZINC001237677516 819803715 /nfs/dbraw/zinc/80/37/15/819803715.db2.gz OEQMFFXFBRHHAU-UHFFFAOYSA-N 1 0 270.170 3.057 20 10 CGCDRO COc1cc(C[N@@H+]2CCC[C@@H](C)[C@@H](C)C2)c(O)c(OC)c1 ZINC001237675641 819804880 /nfs/dbraw/zinc/80/48/80/819804880.db2.gz ZSQWAPFJPMGDIS-OLZOCXBDSA-N 1 0 293.407 3.277 20 10 CGCDRO Cc1cc(O)c(C[NH+]2CCCCC2)cc1Br ZINC001237677580 819804929 /nfs/dbraw/zinc/80/49/29/819804929.db2.gz OOSRQQPUXXYVCZ-UHFFFAOYSA-N 1 0 284.197 3.449 20 10 CGCDRO C[N@@H+](Cc1cc(F)cc(Cl)c1[O-])C[C@@H]1CCCCO1 ZINC001237798435 819846361 /nfs/dbraw/zinc/84/63/61/819846361.db2.gz FKQXBUWGQHFODX-LBPRGKRZSA-N 1 0 287.762 3.186 20 10 CGCDRO Nc1ccc(C[NH2+]CCCc2cccc(F)c2)cc1 ZINC001345159267 936804610 /nfs/dbraw/zinc/80/46/10/936804610.db2.gz DQBWYFIYKSHHMA-UHFFFAOYSA-N 1 0 258.340 3.130 20 10 CGCDRO COc1ccc(C[NH2+]CC2CCC(C)CC2)c(O)c1OC ZINC001351974984 937030262 /nfs/dbraw/zinc/03/02/62/937030262.db2.gz NHNQCJYMFDSSCJ-UHFFFAOYSA-N 1 0 293.407 3.325 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCSCC2)c1 ZINC000692463922 926829191 /nfs/dbraw/zinc/82/91/91/926829191.db2.gz CPYRXKWJLGSELD-VXGBXAGGSA-N 1 0 281.421 3.337 20 10 CGCDRO COc1ccc2c(c1)C[C@@H](C(C)C)CN2CCCCCO ZINC001460282472 937524412 /nfs/dbraw/zinc/52/44/12/937524412.db2.gz FCVMZHPAQMAQRI-MRXNPFEDSA-N 1 0 291.435 3.493 20 10 CGCDRO Cc1cccc(OCC[NH2+]Cc2ccc3c(c2)CCCO3)c1 ZINC001461005130 937559246 /nfs/dbraw/zinc/55/92/46/937559246.db2.gz YMNCKXMUMQHLJT-UHFFFAOYSA-N 1 0 297.398 3.489 20 10 CGCDRO CCCOc1ccc(C[NH2+]C[C@@H](O)CC(C)C)cc1C ZINC001461235085 937571626 /nfs/dbraw/zinc/57/16/26/937571626.db2.gz QBCKELKXFUQTBW-INIZCTEOSA-N 1 0 279.424 3.280 20 10 CGCDRO CCC[C@H](C)[C@H](CO)[NH2+]Cc1c(C)c2ccccc2n1C ZINC001461622241 937588569 /nfs/dbraw/zinc/58/85/69/937588569.db2.gz XSGYQOBOCQRPPS-BBRMVZONSA-N 1 0 288.435 3.373 20 10 CGCDRO CC[C@@H](C[C@@H](C)O)[NH2+]Cc1ccc(N(CC)CC)c(F)c1 ZINC001461704328 937593107 /nfs/dbraw/zinc/59/31/07/937593107.db2.gz FDYYCHBBZVHMFU-HIFRSBDPSA-N 1 0 296.430 3.311 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H]2C[C@@H]3CCC[C@@H]23)cc1F ZINC001461811204 937598924 /nfs/dbraw/zinc/59/89/24/937598924.db2.gz NHXUNQKPXQIIJE-GZBFAFLISA-N 1 0 262.372 3.170 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CCS[C@H](C(C)C)C2)c(O)c1 ZINC001461944844 937608461 /nfs/dbraw/zinc/60/84/61/937608461.db2.gz WQPOMDVCMXVAEQ-INIZCTEOSA-N 1 0 295.448 3.283 20 10 CGCDRO Cc1ccc(C[N@@H+](C)C[C@H](C)C(=O)OC(C)(C)C)c(O)c1 ZINC001462333146 937633329 /nfs/dbraw/zinc/63/33/29/937633329.db2.gz OCNPFJIUEZKYEG-ZDUSSCGKSA-N 1 0 293.407 3.110 20 10 CGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CCO[C@@H](C(F)F)CC2)c1 ZINC001462511157 937646119 /nfs/dbraw/zinc/64/61/19/937646119.db2.gz VTHZHHKLHMEORF-OAHLLOKOSA-N 1 0 299.361 3.372 20 10 CGCDRO CC(C)=CCC[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001308370060 933102411 /nfs/dbraw/zinc/10/24/11/933102411.db2.gz DKZHRXXETBZARZ-UHFFFAOYSA-N 1 0 268.351 3.477 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(OC)cc1O)[C@H]1CC1(C)C ZINC001308716981 933164434 /nfs/dbraw/zinc/16/44/34/933164434.db2.gz XJBOVOHYMNIZGP-KGLIPLIRSA-N 1 0 263.381 3.315 20 10 CGCDRO COc1ccc(C[NH2+][C@H](C)c2cc3cnccc3o2)c(O)c1 ZINC001308716354 933164992 /nfs/dbraw/zinc/16/49/92/933164992.db2.gz NPUGIYIEKZKANE-LLVKDONJSA-N 1 0 298.342 3.393 20 10 CGCDRO CO[C@@H]1CC[N@H+](Cc2cc(C(C)C)ccc2O)C[C@@H]1C ZINC001308774966 933174094 /nfs/dbraw/zinc/17/40/94/933174094.db2.gz XAIGEMZHLZTJQD-SUMWQHHRSA-N 1 0 277.408 3.372 20 10 CGCDRO COc1cc(C)c(C[NH2+]Cc2ccc(C)c(F)c2)c(O)c1 ZINC001308952118 933211958 /nfs/dbraw/zinc/21/19/58/933211958.db2.gz IOEPAYPAXPRWPO-UHFFFAOYSA-N 1 0 289.350 3.447 20 10 CGCDRO CC(C)OC(=O)C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC001318529133 933740847 /nfs/dbraw/zinc/74/08/47/933740847.db2.gz MLGQOUJRVGAQJW-UHFFFAOYSA-N 1 0 291.391 3.088 20 10 CGCDRO CN1CCCC[C@H]1C[NH2+]Cc1ccc2ccccc2c1O ZINC001474736556 933845198 /nfs/dbraw/zinc/84/51/98/933845198.db2.gz DNENGCABRWFBGU-INIZCTEOSA-N 1 0 284.403 3.119 20 10 CGCDRO CC(C)[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)C(C)(C)O ZINC001320699136 934088591 /nfs/dbraw/zinc/08/85/91/934088591.db2.gz WVZYSRSWJXYKGF-KRWDZBQOSA-N 1 0 290.451 3.172 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@H](O)C23CCCC3)cc1 ZINC001324214303 934472833 /nfs/dbraw/zinc/47/28/33/934472833.db2.gz SXLRRJHJIBOJTQ-QGZVFWFLSA-N 1 0 288.435 3.022 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CCC[C@H]1CCO ZINC001324228286 934473460 /nfs/dbraw/zinc/47/34/60/934473460.db2.gz QIWUHAXLEVGGPA-BARDWOONSA-N 1 0 289.419 3.390 20 10 CGCDRO COc1ccc(N(CC[C@@H]2CCCO2)CC2CC2)cc1 ZINC001473485589 937808719 /nfs/dbraw/zinc/80/87/19/937808719.db2.gz KZZZNFOZURWZBY-KRWDZBQOSA-N 1 0 275.392 3.481 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)CC(=O)OC(C)(C)C)c1ccccc1O ZINC001325204595 934894570 /nfs/dbraw/zinc/89/45/70/934894570.db2.gz USWGFZHRYVMCSQ-NWDGAFQWSA-N 1 0 279.380 3.163 20 10 CGCDRO C[C@H]([NH2+]CCCC[NH3+])c1ccc(Cl)c(Cl)c1[O-] ZINC001326474348 934982945 /nfs/dbraw/zinc/98/29/45/934982945.db2.gz VNHFGUZOHGGZAS-QMMMGPOBSA-N 1 0 277.195 3.089 20 10 CGCDRO CS[C@@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001327953023 935102020 /nfs/dbraw/zinc/10/20/20/935102020.db2.gz SKZPDBTUBFNLCV-MRXNPFEDSA-N 1 0 276.449 3.224 20 10 CGCDRO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001328699267 935160819 /nfs/dbraw/zinc/16/08/19/935160819.db2.gz CZXKNWYGLRTDJZ-OIPACUDHSA-N 1 0 288.435 3.188 20 10 CGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]Cc1ccc[nH]c1=O ZINC001328718444 935162955 /nfs/dbraw/zinc/16/29/55/935162955.db2.gz KTRFSQZARFILNO-AAEUAGOBSA-N 1 0 284.359 3.139 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@@H]1CC[NH2+]C12CCC2 ZINC001329150548 935191181 /nfs/dbraw/zinc/19/11/81/935191181.db2.gz YNBXVPLVQMVJTG-VNHYZAJKSA-N 1 0 286.419 3.123 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2N[C@H]1CC[NH2+]C12CCC2 ZINC001329150543 935191364 /nfs/dbraw/zinc/19/13/64/935191364.db2.gz YNBXVPLVQMVJTG-NFAWXSAZSA-N 1 0 286.419 3.123 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCC[C@H](F)C2)cc1C ZINC001329497940 935221000 /nfs/dbraw/zinc/22/10/00/935221000.db2.gz ALPSNJSIYHMHJX-UONOGXRCSA-N 1 0 251.345 3.379 20 10 CGCDRO CO[C@H](C)[C@@H](C)[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC001329958156 935257643 /nfs/dbraw/zinc/25/76/43/935257643.db2.gz WXYHMPMTUSCNNL-FDYHWXHSSA-N 1 0 263.381 3.262 20 10 CGCDRO Cc1cc(C[N@H+](C)CCC(F)(F)F)ccc1N(C)C ZINC001330327770 935286315 /nfs/dbraw/zinc/28/63/15/935286315.db2.gz LLMOCFIYQVQZHB-UHFFFAOYSA-N 1 0 274.330 3.445 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)CCS1 ZINC001330639677 935306014 /nfs/dbraw/zinc/30/60/14/935306014.db2.gz UYJHAVRIUPNSOH-CQSZACIVSA-N 1 0 276.449 3.224 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1C[C@@H](C)n2ncnc21 ZINC001333321373 935525845 /nfs/dbraw/zinc/52/58/45/935525845.db2.gz JAMWSPUPUOORIV-FVCCEPFGSA-N 1 0 298.390 3.136 20 10 CGCDRO C[N@H+](CCCF)Cc1cc2c(cc1O)CCCC2 ZINC001333332280 935526772 /nfs/dbraw/zinc/52/67/72/935526772.db2.gz BSAVHPATGRVDAE-UHFFFAOYSA-N 1 0 251.345 3.062 20 10 CGCDRO COCCCC1(C[NH2+]Cc2cc(OC)ccc2O)CCC1 ZINC001334963849 936124401 /nfs/dbraw/zinc/12/44/01/936124401.db2.gz AJMXGAGONCMORK-UHFFFAOYSA-N 1 0 293.407 3.087 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CCCC(F)F)cc1F ZINC001335017825 936125956 /nfs/dbraw/zinc/12/59/56/936125956.db2.gz PALGAIZPQVBBNO-UHFFFAOYSA-N 1 0 260.303 3.027 20 10 CGCDRO COc1ccc(C[NH2+]CC23CCC(CC2)C3)c(O)c1OC ZINC001335482117 936148396 /nfs/dbraw/zinc/14/83/96/936148396.db2.gz MLYWBYQIKOYCRD-UHFFFAOYSA-N 1 0 291.391 3.079 20 10 CGCDRO Nc1ccc(C[NH+]2CCC(C(=O)c3ccccc3)CC2)cc1 ZINC001336117944 936176606 /nfs/dbraw/zinc/17/66/06/936176606.db2.gz RIKXOBQSOTXLIQ-UHFFFAOYSA-N 1 0 294.398 3.364 20 10 CGCDRO CC(C)(CO)[C@@H]([NH2+]Cc1ccc(N)cc1)c1ccccc1 ZINC001337838532 936293801 /nfs/dbraw/zinc/29/38/01/936293801.db2.gz ORAGOJKSXZMFGL-KRWDZBQOSA-N 1 0 284.403 3.118 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)CN1C1CC1 ZINC001474066521 937838685 /nfs/dbraw/zinc/83/86/85/937838685.db2.gz YNESTRNVJXQELK-WBVHZDCISA-N 1 0 299.462 3.002 20 10 CGCDRO CC1CC(C[NH2+]C/C=C\c2ccc(N(C)C)cc2)C1 ZINC001474220018 937844920 /nfs/dbraw/zinc/84/49/20/937844920.db2.gz UWSVGHWDEIZPNK-PLNGDYQASA-N 1 0 258.409 3.402 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CCC[C@H]2C2CC2)c(O)c1 ZINC001474335996 937852417 /nfs/dbraw/zinc/85/24/17/937852417.db2.gz OCVQZYFHCBCETE-HNNXBMFYSA-N 1 0 261.365 3.084 20 10 CGCDRO Cc1ccc(C[N@@H+](C)C2Cc3ccccc3C2)c(O)c1 ZINC001474366386 937854886 /nfs/dbraw/zinc/85/48/86/937854886.db2.gz OIRVDFHXZMPWGF-UHFFFAOYSA-N 1 0 267.372 3.300 20 10 CGCDRO COc1ccc(C[N@@H+]2C[C@@H](C)CCC[C@@H]2C)c(O)c1OC ZINC001474371037 937855116 /nfs/dbraw/zinc/85/51/16/937855116.db2.gz LGQNEANFCHXZBB-STQMWFEESA-N 1 0 293.407 3.420 20 10 CGCDRO COc1cc(O)c(C[NH2+][C@@H]2CC[C@@H](C)[C@H](C)C2)cc1OC ZINC001474427859 937859344 /nfs/dbraw/zinc/85/93/44/937859344.db2.gz MZMRLDCCOYCVBQ-YRGRVCCFSA-N 1 0 293.407 3.324 20 10 CGCDRO COC1(C[NH2+]Cc2ccc(Cl)cc2O)CCCC1 ZINC001474538797 937865685 /nfs/dbraw/zinc/86/56/85/937865685.db2.gz ZHDLAZNFPCIEOO-UHFFFAOYSA-N 1 0 269.772 3.094 20 10 CGCDRO CO[C@@H](C[NH2+]Cc1cc(C(C)C)ccc1O)C1CC1 ZINC001474544045 937865919 /nfs/dbraw/zinc/86/59/19/937865919.db2.gz CEESDXOLDXPWDW-INIZCTEOSA-N 1 0 263.381 3.030 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCSC[C@@H]2C2CCC2)c(O)c1 ZINC001474588481 937868696 /nfs/dbraw/zinc/86/86/96/937868696.db2.gz LZHMMICXWGYAIS-OAHLLOKOSA-N 1 0 277.433 3.418 20 10 CGCDRO COCC1([NH2+]Cc2ccc(N(C)C)cc2C)CCCCC1 ZINC001474644223 937872296 /nfs/dbraw/zinc/87/22/96/937872296.db2.gz MJJIFMCRGAZZLC-UHFFFAOYSA-N 1 0 290.451 3.500 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]C[C@@H]1C[C@@H]1Cc1ccccc1 ZINC001474750883 937878725 /nfs/dbraw/zinc/87/87/25/937878725.db2.gz BIOANRMVXKEGAC-GJZGRUSLSA-N 1 0 285.362 3.500 20 10 CGCDRO CCCC[N@H+](CCCCC(=O)OC)Cc1ccccc1O ZINC001559790618 938235926 /nfs/dbraw/zinc/23/59/26/938235926.db2.gz YIELZEZDOORHSU-UHFFFAOYSA-N 1 0 293.407 3.338 20 10 CGCDRO CCN(C)c1ccc(CN(C)CC[NH+]2CCCCC2)cc1 ZINC001559956029 938239907 /nfs/dbraw/zinc/23/99/07/938239907.db2.gz JYNZEKAKQFEXED-UHFFFAOYSA-N 1 0 289.467 3.060 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CCO[C@@H](C3CC3)C2)cc1C ZINC001560432754 938258411 /nfs/dbraw/zinc/25/84/11/938258411.db2.gz MCAOPHPFVQYQDU-NVXWUHKLSA-N 1 0 275.392 3.051 20 10 CGCDRO CCCn1cncc1C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC001560444697 938258653 /nfs/dbraw/zinc/25/86/53/938258653.db2.gz BUSVMTSQXNMPQC-AWEZNQCLSA-N 1 0 286.423 3.210 20 10 CGCDRO CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001560503265 938260754 /nfs/dbraw/zinc/26/07/54/938260754.db2.gz HNIWHGLZQDLCTK-SJLPKXTDSA-N 1 0 289.419 3.449 20 10 CGCDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]Cc1cc(C(C)C)ccc1O ZINC001560740995 938273258 /nfs/dbraw/zinc/27/32/58/938273258.db2.gz IUBQCNDZPMDTGK-CHWSQXEVSA-N 1 0 293.407 3.193 20 10 CGCDRO COc1cc(C)cc(C[NH2+]C[C@@H]2C[C@@H]2[C@@H]2C[C@@H]2C)c1O ZINC001561008141 938289225 /nfs/dbraw/zinc/28/92/25/938289225.db2.gz QNQRIVVKGBPOIU-VIRABCJISA-N 1 0 275.392 3.091 20 10 CGCDRO COc1cc(O)c(C[NH2+][C@@H]2CCC[C@@H](C)CC2)cc1OC ZINC000191174226 958808162 /nfs/dbraw/zinc/80/81/62/958808162.db2.gz FNXOXOLVGCBZDB-TZMCWYRMSA-N 1 0 293.407 3.468 20 10 CGCDRO Cc1cccc2c1CCN2Cc1cccc2c1CC[NH2+]C2 ZINC001579779237 962671257 /nfs/dbraw/zinc/67/12/57/962671257.db2.gz JAPHFSQMWULVJA-UHFFFAOYSA-N 1 0 278.399 3.203 20 10 CGCDRO C[C@H]1CC[C@H]([N@H+](C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC000092874800 345860592 /nfs/dbraw/zinc/86/05/92/345860592.db2.gz URMXDUFBTRNPFG-YJBOKZPZSA-N 1 0 288.435 3.144 20 10 CGCDRO C[C@@H](CO)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000151721372 346138443 /nfs/dbraw/zinc/13/84/43/346138443.db2.gz HSKWVTIQZJOMNL-KGLIPLIRSA-N 1 0 294.414 3.095 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCc2cscn2)c(O)c1 ZINC000104444953 186004969 /nfs/dbraw/zinc/00/49/69/186004969.db2.gz LWDVKVVNTUIXIK-NSHDSACASA-N 1 0 262.378 3.050 20 10 CGCDRO C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(F)c(F)c1[O-] ZINC000191188420 296122887 /nfs/dbraw/zinc/12/28/87/296122887.db2.gz YUKVGVUZOMGJSB-GFCCVEGCSA-N 1 0 298.377 3.197 20 10 CGCDRO CCOc1cccc(C[NH2+]CCc2cccs2)c1O ZINC000019948889 368788104 /nfs/dbraw/zinc/78/81/04/368788104.db2.gz CLZVVTNBFNOXST-UHFFFAOYSA-N 1 0 277.389 3.185 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1CCCO1)c1ccc2ccccc2c1O ZINC000019963535 368790123 /nfs/dbraw/zinc/79/01/23/368790123.db2.gz IATSAEKYGZDSDR-GXTWGEPZSA-N 1 0 271.360 3.375 20 10 CGCDRO C[C@H]([NH2+]CCOc1ccccc1)c1ccccc1O ZINC000042895597 369237305 /nfs/dbraw/zinc/23/73/05/369237305.db2.gz UHBNWARNXBCZMT-ZDUSSCGKSA-N 1 0 257.333 3.122 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1O)c1ccc2ccccc2c1O ZINC000051991392 369459793 /nfs/dbraw/zinc/45/97/93/369459793.db2.gz DXUPSTFYOZFZQZ-VUCTXSBTSA-N 1 0 285.387 3.500 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](OCC(C)C)C2)c1 ZINC000091964634 370083999 /nfs/dbraw/zinc/08/39/99/370083999.db2.gz PUJUAKRVHFCFKZ-INIZCTEOSA-N 1 0 293.407 3.038 20 10 CGCDRO CCCO[C@H]1CCC[N@H+](Cc2cc(C)ccc2O)CC1 ZINC000093317541 370117941 /nfs/dbraw/zinc/11/79/41/370117941.db2.gz XTXUNDVZPGCTCS-INIZCTEOSA-N 1 0 277.408 3.482 20 10 CGCDRO Oc1ccccc1C[NH2+]C1(c2nccs2)CCCC1 ZINC000116374428 370557718 /nfs/dbraw/zinc/55/77/18/370557718.db2.gz ZXGOVJRUSYSUDI-UHFFFAOYSA-N 1 0 274.389 3.408 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1CCCSC1)c1ccccc1O ZINC000287069558 371597261 /nfs/dbraw/zinc/59/72/61/371597261.db2.gz NYJJEMNSQRTYGP-RYUDHWBXSA-N 1 0 251.395 3.186 20 10 CGCDRO CC[C@H]([NH2+]CC1=CCCOC1)c1ccc(C)cc1O ZINC000287158126 371613343 /nfs/dbraw/zinc/61/33/43/371613343.db2.gz TVWTVJVKNNCZIN-HNNXBMFYSA-N 1 0 261.365 3.088 20 10 CGCDRO CO[C@](C)(C[NH2+][C@H](C)c1ccc(N(C)C)cc1)C1CC1 ZINC000291388760 372167447 /nfs/dbraw/zinc/16/74/47/372167447.db2.gz ZVSVYUPKOHTNCV-CXAGYDPISA-N 1 0 276.424 3.218 20 10 CGCDRO CCc1nc(C)c(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)o1 ZINC000291962642 372179061 /nfs/dbraw/zinc/17/90/61/372179061.db2.gz SDAOQVAUTWOTBM-LBPRGKRZSA-N 1 0 287.407 3.462 20 10 CGCDRO CCC[C@H](C[NH2+][C@@H](C)c1ccc(C)cc1O)OC ZINC000293643307 372434499 /nfs/dbraw/zinc/43/44/99/372434499.db2.gz JXOFRXDMXFNFDX-QWHCGFSZSA-N 1 0 251.370 3.166 20 10 CGCDRO CCC[C@@H](CCO)C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000293653673 372438283 /nfs/dbraw/zinc/43/82/83/372438283.db2.gz OXSKWHCTLAKHNR-JTQLQIEISA-N 1 0 289.778 3.073 20 10 CGCDRO C[C@@H]1C[C@H](C[NH2+]Cc2cc(Cl)c(F)cc2[O-])CCO1 ZINC000293660812 372439973 /nfs/dbraw/zinc/43/99/73/372439973.db2.gz PPJJWUGDMAGTIV-NXEZZACHSA-N 1 0 287.762 3.089 20 10 CGCDRO COC1(CC[NH2+][C@H](C)c2cc(F)ccc2O)CCC1 ZINC000293716752 372458823 /nfs/dbraw/zinc/45/88/23/372458823.db2.gz NEPPNLKHLZDKMZ-LLVKDONJSA-N 1 0 267.344 3.141 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CC2CC(F)(F)C2)c1 ZINC000293795807 372484918 /nfs/dbraw/zinc/48/49/18/372484918.db2.gz URYJJOSXRAVMMU-JTQLQIEISA-N 1 0 255.308 3.397 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H](OC)C1CC1)c1ccc(N(C)C)cc1 ZINC000293876276 372509883 /nfs/dbraw/zinc/50/98/83/372509883.db2.gz ZZGNOMLFVPJWDF-IAGOWNOFSA-N 1 0 276.424 3.218 20 10 CGCDRO COCC(C)(C)C[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000293885852 372513432 /nfs/dbraw/zinc/51/34/32/372513432.db2.gz YWKJMFPHYAVHER-LBPRGKRZSA-N 1 0 251.370 3.024 20 10 CGCDRO CSCCC[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000293939729 372531292 /nfs/dbraw/zinc/53/12/92/372531292.db2.gz YPIVEBLBIAFSES-GFCCVEGCSA-N 1 0 253.411 3.413 20 10 CGCDRO Cc1ccc(O)c(C[NH+]2CCC3(CCC(O)CC3)CC2)c1 ZINC000295209181 372701215 /nfs/dbraw/zinc/70/12/15/372701215.db2.gz ZUICAOYGMXGAGY-UHFFFAOYSA-N 1 0 289.419 3.218 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+][C@@H]2CCOC2(C)C)c1O ZINC000294923913 372680731 /nfs/dbraw/zinc/68/07/31/372680731.db2.gz YZAUHRIORUCDBA-GFCCVEGCSA-N 1 0 269.772 3.011 20 10 CGCDRO C[N@H+](Cc1cccc(Cl)c1[O-])[C@@H](CO)c1ccccc1 ZINC000295062893 372690288 /nfs/dbraw/zinc/69/02/88/372690288.db2.gz OOIGFCSWVBYPFP-HNNXBMFYSA-N 1 0 291.778 3.211 20 10 CGCDRO CCC[N@@H+](Cc1ccccc1O)CC1CCOCC1 ZINC000171827244 372837963 /nfs/dbraw/zinc/83/79/63/372837963.db2.gz HAGUGOBPVFNTRN-UHFFFAOYSA-N 1 0 263.381 3.031 20 10 CGCDRO Cc1ccc([C@H](O)C[NH2+][C@H]2CCc3cccc(O)c32)cc1 ZINC000295809582 372919658 /nfs/dbraw/zinc/91/96/58/372919658.db2.gz CSVVOILLHWXKPG-DOTOQJQBSA-N 1 0 283.371 3.011 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)CCCCO)c1ccc(N(C)C)cc1 ZINC000295857949 372936726 /nfs/dbraw/zinc/93/67/26/372936726.db2.gz BIECEXGFRDWYIK-YOEHRIQHSA-N 1 0 278.440 3.344 20 10 CGCDRO CCOCc1cc(C[NH2+]CCC(C)(F)F)ccc1OC ZINC000296023829 372997676 /nfs/dbraw/zinc/99/76/76/372997676.db2.gz MSAXHUKXORWTGW-UHFFFAOYSA-N 1 0 287.350 3.367 20 10 CGCDRO COCc1ccc(C[NH2+][C@@H]2CCc3cccc(O)c32)cc1 ZINC000296095545 373021690 /nfs/dbraw/zinc/02/16/90/373021690.db2.gz UDFSCKZTXIHTHX-MRXNPFEDSA-N 1 0 283.371 3.316 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]CCc1ccc(F)cc1)CC2 ZINC000296182977 373046861 /nfs/dbraw/zinc/04/68/61/373046861.db2.gz YFBUTPJNLNDQJK-OAHLLOKOSA-N 1 0 271.335 3.351 20 10 CGCDRO CC/C=C/C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000296325816 373090884 /nfs/dbraw/zinc/09/08/84/373090884.db2.gz HBPATMKRWHIJMG-NNTXTVRGSA-N 1 0 292.398 3.279 20 10 CGCDRO C[C@H](CCCO)C[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000296603841 373192844 /nfs/dbraw/zinc/19/28/44/373192844.db2.gz VUAYKGJIKXWIQW-MNOVXSKESA-N 1 0 271.788 3.105 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]Cc1ccc(Cl)cn1)CC2 ZINC000296648448 373205332 /nfs/dbraw/zinc/20/53/32/373205332.db2.gz DHZMHEDMGIAARB-CYBMUJFWSA-N 1 0 274.751 3.218 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]CCc1ccc3c(c1)CCO3)CC2 ZINC000297674526 373279189 /nfs/dbraw/zinc/27/91/89/373279189.db2.gz LFJCGLXOUPZMID-INIZCTEOSA-N 1 0 295.382 3.147 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CC[C@H](C)CCO)c(O)c1 ZINC000297340694 373267979 /nfs/dbraw/zinc/26/79/79/373267979.db2.gz OLLFSLNIOHRLSK-SMDDNHRTSA-N 1 0 265.397 3.068 20 10 CGCDRO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccnc(N)c1 ZINC000298141103 373289000 /nfs/dbraw/zinc/28/90/00/373289000.db2.gz OFOFMJILNAVTNG-UHFFFAOYSA-N 1 0 298.434 3.140 20 10 CGCDRO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCc3cccc(O)c32)C12CCC2 ZINC000297834003 373280213 /nfs/dbraw/zinc/28/02/13/373280213.db2.gz RYIYUTVWBRSGDQ-CWRNSKLLSA-N 1 0 287.403 3.317 20 10 CGCDRO CC(C)[N@H+](Cc1ccno1)Cc1ccc(N(C)C)cc1 ZINC000298770004 373405653 /nfs/dbraw/zinc/40/56/53/373405653.db2.gz CCFULZFWAMRJHG-UHFFFAOYSA-N 1 0 273.380 3.151 20 10 CGCDRO CCCO[C@H]1CCC[N@H+](Cc2cc(F)ccc2O)CC1 ZINC000180135649 373968479 /nfs/dbraw/zinc/96/84/79/373968479.db2.gz ZYMFAXFVWLXRGX-HNNXBMFYSA-N 1 0 281.371 3.312 20 10 CGCDRO COc1ccc(O)c(C[N@H+](C)[C@@H](C)c2cccc(O)c2)c1 ZINC000180178921 373973907 /nfs/dbraw/zinc/97/39/07/373973907.db2.gz UFSIUFPOUHVTOH-LBPRGKRZSA-N 1 0 287.359 3.299 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+](C)C[C@H](C)c2nccs2)c1 ZINC000183259352 374393809 /nfs/dbraw/zinc/39/38/09/374393809.db2.gz KFQYZKRHAQUAJE-LBPRGKRZSA-N 1 0 276.405 3.393 20 10 CGCDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)Cc1ccccc1O ZINC000183287762 374398335 /nfs/dbraw/zinc/39/83/35/374398335.db2.gz OSWPSTZIOJXFQZ-UHFFFAOYSA-N 1 0 286.331 3.241 20 10 CGCDRO C[C@H]([NH2+]CCCCNc1ccccn1)c1ccccc1O ZINC000183486841 374417959 /nfs/dbraw/zinc/41/79/59/374417959.db2.gz INETUYCJEWZDEY-AWEZNQCLSA-N 1 0 285.391 3.330 20 10 CGCDRO CC(C)C[C@@H](CCO)C[NH2+][C@@H](C)c1ccccc1O ZINC000183539100 374424057 /nfs/dbraw/zinc/42/40/57/374424057.db2.gz VFKLEQLDLKUPFS-UONOGXRCSA-N 1 0 265.397 3.088 20 10 CGCDRO COC[C@@H]([NH2+][C@@H](C)c1ccccc1O)c1ccc(C)o1 ZINC000183541162 374427055 /nfs/dbraw/zinc/42/70/55/374427055.db2.gz GHVWDBGPPDMZDM-GXTWGEPZSA-N 1 0 275.348 3.332 20 10 CGCDRO Cc1nc(CC[NH2+][C@H](C)c2ccccc2O)sc1C ZINC000183566188 374428244 /nfs/dbraw/zinc/42/82/44/374428244.db2.gz LEBUAGLUXFCDNC-LLVKDONJSA-N 1 0 276.405 3.359 20 10 CGCDRO Cc1nc(CC[NH2+][C@@H](C)c2ccccc2O)sc1C ZINC000183566169 374428888 /nfs/dbraw/zinc/42/88/88/374428888.db2.gz LEBUAGLUXFCDNC-NSHDSACASA-N 1 0 276.405 3.359 20 10 CGCDRO CO[C@@H](C)[C@H](C)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000189126233 375330887 /nfs/dbraw/zinc/33/08/87/375330887.db2.gz ZGPDLDVUQLOZKL-GJZGRUSLSA-N 1 0 276.424 3.190 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1CC[C@H](O)C1)c1cc2c(cc1O)CCCC2 ZINC000189304214 375361525 /nfs/dbraw/zinc/36/15/25/375361525.db2.gz GQFHZTNQXQJEJA-WWGRRREGSA-N 1 0 289.419 3.083 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H]2CCOc3c(F)cccc32)c1 ZINC000191126647 375580994 /nfs/dbraw/zinc/58/09/94/375580994.db2.gz QTGMBZLNPXGPHI-HNNXBMFYSA-N 1 0 287.334 3.453 20 10 CGCDRO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000193457027 375879482 /nfs/dbraw/zinc/87/94/82/375879482.db2.gz UATFGYMOLYXCJV-KRWDZBQOSA-N 1 0 298.434 3.430 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2Cc3ccccc3[C@H]2O)c(O)c1 ZINC000248532663 377338618 /nfs/dbraw/zinc/33/86/18/377338618.db2.gz YRCWWZITMZOFDK-BJOOFOGMSA-N 1 0 283.371 3.010 20 10 CGCDRO CC[C@H](O)CC[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000269006634 378172866 /nfs/dbraw/zinc/17/28/66/378172866.db2.gz LFIGDSMIQJKXFC-YJBOKZPZSA-N 1 0 290.451 3.489 20 10 CGCDRO COc1cccc(C[N@@H+]2CC3C[C@@H]4CC2C[C@H](C3)C4)c1O ZINC000271112467 378454593 /nfs/dbraw/zinc/45/45/93/378454593.db2.gz AECIHGVFXFWJIO-KKNUOHPOSA-N 1 0 287.403 3.411 20 10 CGCDRO Oc1cccc(Cl)c1C[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000271186475 378477271 /nfs/dbraw/zinc/47/72/71/378477271.db2.gz JVZNNBQCEHWKIZ-UHFFFAOYSA-N 1 0 291.782 3.148 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+]CC(C)(C)CCCO)c1O ZINC000271780367 378505112 /nfs/dbraw/zinc/50/51/12/378505112.db2.gz DRMGZHPPGODNSU-UHFFFAOYSA-N 1 0 285.815 3.242 20 10 CGCDRO COc1ccc(C[NH2+]CC2([C@@H](C)CCO)CCC2)cc1C ZINC000271870400 378509327 /nfs/dbraw/zinc/50/93/27/378509327.db2.gz XLXAVSKCZAHECO-HNNXBMFYSA-N 1 0 291.435 3.282 20 10 CGCDRO Cc1cccc(C[N@@H+](C)[C@@H](CCO)c2ccccc2)c1O ZINC000271880341 378509942 /nfs/dbraw/zinc/50/99/42/378509942.db2.gz VAMUFCGKPOQFGO-KRWDZBQOSA-N 1 0 285.387 3.256 20 10 CGCDRO CO[C@H](c1ccccc1F)[C@@H](C)[NH2+]Cc1ccccc1O ZINC000271976942 378535058 /nfs/dbraw/zinc/53/50/58/378535058.db2.gz IVDJVVBLPXPAPO-PXAZEXFGSA-N 1 0 289.350 3.397 20 10 CGCDRO C[N@H+](Cc1cc(F)ccc1O)[C@@H](CCO)c1ccccc1 ZINC000272298783 378607507 /nfs/dbraw/zinc/60/75/07/378607507.db2.gz PGRXKDSNXZXGNB-INIZCTEOSA-N 1 0 289.350 3.087 20 10 CGCDRO C[C@@H]1C[C@H](CC[NH2+]Cc2c(O)cccc2Cl)CCO1 ZINC000273051503 378736167 /nfs/dbraw/zinc/73/61/67/378736167.db2.gz KKDDEGLPBKDFCK-VXGBXAGGSA-N 1 0 283.799 3.340 20 10 CGCDRO COc1ccc(C[NH2+][C@]2(C)CCO[C@H]2C2CC2)cc1C ZINC000273171921 378737386 /nfs/dbraw/zinc/73/73/86/378737386.db2.gz WBQNTOWBSIQXNW-DLBZAZTESA-N 1 0 275.392 3.051 20 10 CGCDRO CO[C@H](C)CC[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000273623312 378757607 /nfs/dbraw/zinc/75/76/07/378757607.db2.gz ZUQWZRZTHUUIEV-YPMHNXCESA-N 1 0 251.370 3.085 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(CO)c2)c(O)c1C ZINC000273586009 378753632 /nfs/dbraw/zinc/75/36/32/378753632.db2.gz NSPYTGCNGPEKCA-CQSZACIVSA-N 1 0 285.387 3.352 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)Cc2ccccc2)c(O)c1C ZINC000273584503 378753657 /nfs/dbraw/zinc/75/36/57/378753657.db2.gz NLXSRKKMGMNIJI-DOTOQJQBSA-N 1 0 299.414 3.263 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCCC(C)(C)CO)c(O)c1C ZINC000273580601 378754922 /nfs/dbraw/zinc/75/49/22/378754922.db2.gz MPPLZXXPLVRDFX-AWEZNQCLSA-N 1 0 279.424 3.458 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCc2c1cccc2O)c1ccccc1O ZINC000272842013 378711631 /nfs/dbraw/zinc/71/16/31/378711631.db2.gz JUTVSIGBAUOKLE-NHYWBVRUSA-N 1 0 269.344 3.436 20 10 CGCDRO CO[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000273608463 378756358 /nfs/dbraw/zinc/75/63/58/378756358.db2.gz UXAXPXPQDIYTOB-VZJVUDMVSA-N 1 0 267.344 3.140 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2COc3ccc(C)cc32)c1 ZINC000373269060 379249719 /nfs/dbraw/zinc/24/97/19/379249719.db2.gz YKLCFPJSZVGRAB-WBMJQRKESA-N 1 0 299.370 3.494 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2COc3ccc(C)cc32)c1 ZINC000373269058 379250380 /nfs/dbraw/zinc/25/03/80/379250380.db2.gz YKLCFPJSZVGRAB-MLGOLLRUSA-N 1 0 299.370 3.494 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]C[C@H]2CCC(F)(F)C2)c1 ZINC000281786881 379846226 /nfs/dbraw/zinc/84/62/26/379846226.db2.gz UORCFWOSWFWEEH-NSHDSACASA-N 1 0 285.334 3.316 20 10 CGCDRO CC[C@@H]1C[N@H+](Cc2cc(Cl)cc(OC)c2O)CCCO1 ZINC000281206540 379824471 /nfs/dbraw/zinc/82/44/71/379824471.db2.gz JJSFKUFBBKZVQP-CYBMUJFWSA-N 1 0 299.798 3.055 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCCC12CCOCC2)c1ccccc1O ZINC000282465817 379927229 /nfs/dbraw/zinc/92/72/29/379927229.db2.gz GEIDONGSZPLLRF-XJKSGUPXSA-N 1 0 275.392 3.392 20 10 CGCDRO C[C@H]([NH2+]Cc1ccnc(OC(F)F)c1)c1ccccc1O ZINC000284386907 380139125 /nfs/dbraw/zinc/13/91/25/380139125.db2.gz OXDGPJDANKFEHV-JTQLQIEISA-N 1 0 294.301 3.239 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H](CCO)c2ccco2)c(O)c1 ZINC000284910030 380143001 /nfs/dbraw/zinc/14/30/01/380143001.db2.gz CPCIHJYTSJTKKA-KBPBESRZSA-N 1 0 289.375 3.376 20 10 CGCDRO CCC[N@H+](CCc1cnn(CC)c1)Cc1ccccc1O ZINC000285236678 380144083 /nfs/dbraw/zinc/14/40/83/380144083.db2.gz YJTSZEKORKLKSV-UHFFFAOYSA-N 1 0 287.407 3.063 20 10 CGCDRO Oc1cccc(Cl)c1C[N@@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000285331888 380148754 /nfs/dbraw/zinc/14/87/54/380148754.db2.gz XNKOQCLWPNQCFX-DZGCQCFKSA-N 1 0 281.783 3.189 20 10 CGCDRO Cc1ccnc([C@@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)c1 ZINC000286023406 380159025 /nfs/dbraw/zinc/15/90/25/380159025.db2.gz JWQWMAQPXBFAGQ-CYBMUJFWSA-N 1 0 287.382 3.446 20 10 CGCDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1cccnc1C ZINC000355128725 380588686 /nfs/dbraw/zinc/58/86/86/380588686.db2.gz VUVXKVNOQYVVHK-UHFFFAOYSA-N 1 0 279.387 3.480 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCCCOC)cc1 ZINC000178107385 392671670 /nfs/dbraw/zinc/67/16/70/392671670.db2.gz PKVCOKZOKHAARX-AWEZNQCLSA-N 1 0 264.413 3.220 20 10 CGCDRO Cc1ncsc1C[N@@H+](C)Cc1cc(C)ccc1O ZINC000179429121 392699845 /nfs/dbraw/zinc/69/98/45/392699845.db2.gz WEQZFIHFYDYQJP-UHFFFAOYSA-N 1 0 262.378 3.098 20 10 CGCDRO C[C@@H]([NH2+]C[C@H](C)O)c1ccc(N2CCCCCC2)cc1 ZINC000179581543 392704867 /nfs/dbraw/zinc/70/48/67/392704867.db2.gz UKWQOURGKGIHFE-LSDHHAIUSA-N 1 0 276.424 3.098 20 10 CGCDRO C[C@@H]([NH2+]CC[C@](C)(O)c1ccccc1)c1ccccc1O ZINC000187894902 392796403 /nfs/dbraw/zinc/79/64/03/392796403.db2.gz BEJUFEIAZKMVOE-KDOFPFPSSA-N 1 0 285.387 3.341 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCC[C@H](SC)C2)c1 ZINC000224819991 393010794 /nfs/dbraw/zinc/01/07/94/393010794.db2.gz MNYUGKCBTFTOQJ-OCCSQVGLSA-N 1 0 281.421 3.165 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1ccc(N(C)C)cc1 ZINC000271511773 393252266 /nfs/dbraw/zinc/25/22/66/393252266.db2.gz NWNDCUZTYIPFEA-BLLLJJGKSA-N 1 0 284.407 3.204 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCc3cn[nH]c32)c1 ZINC000273521421 393275531 /nfs/dbraw/zinc/27/55/31/393275531.db2.gz UHPLXHZSGARYPD-SMDDNHRTSA-N 1 0 271.364 3.152 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]CCCSCC)c1 ZINC000281897410 393366093 /nfs/dbraw/zinc/36/60/93/393366093.db2.gz FKHAMAWUFNZHPP-UHFFFAOYSA-N 1 0 269.410 3.024 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](c2ccco2)N(C)C)c(O)c1 ZINC000020122442 171002793 /nfs/dbraw/zinc/00/27/93/171002793.db2.gz IOVXRJGDZPIRTL-UKRRQHHQSA-N 1 0 288.391 3.247 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](C(C)C)N2CCCC2)c1 ZINC000035628950 172307876 /nfs/dbraw/zinc/30/78/76/172307876.db2.gz UQBINMRJQUBRSZ-DOTOQJQBSA-N 1 0 290.451 3.472 20 10 CGCDRO CC(C)C[C@@H](CN(C)C)[NH2+][C@H](C)c1ccccc1O ZINC000037167215 173001024 /nfs/dbraw/zinc/00/10/24/173001024.db2.gz RPNKYNMWBLGRTC-KGLIPLIRSA-N 1 0 264.413 3.019 20 10 CGCDRO Cc1cccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000074335954 260164918 /nfs/dbraw/zinc/16/49/18/260164918.db2.gz BEAORZGWJTYTFV-UHFFFAOYSA-N 1 0 296.414 3.121 20 10 CGCDRO C[C@H](O)CC(C)(C)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000090086269 260238527 /nfs/dbraw/zinc/23/85/27/260238527.db2.gz RUZGPJYPZNFDFS-KBPBESRZSA-N 1 0 278.440 3.200 20 10 CGCDRO CC[C@H](C[NH2+][C@H](CC)c1ccccc1O)N1CCCC1 ZINC000155087798 261097994 /nfs/dbraw/zinc/09/79/94/261097994.db2.gz XCVHVPPIEVTMKU-GDBMZVCRSA-N 1 0 276.424 3.307 20 10 CGCDRO Cc1ccc([C@H](O)C[NH2+][C@H](C)c2cc(F)ccc2O)cc1 ZINC000185099416 262041254 /nfs/dbraw/zinc/04/12/54/262041254.db2.gz AJMBMOSJJCBENZ-SJKOYZFVSA-N 1 0 289.350 3.224 20 10 CGCDRO Cc1nn(C)cc1[C@@H](C)[NH2+][C@H](C)c1ccc(C)cc1O ZINC000185349999 262051488 /nfs/dbraw/zinc/05/14/88/262051488.db2.gz PKQCMQRFTPMMJD-VXGBXAGGSA-N 1 0 273.380 3.154 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2ccccc2)c(O)c1 ZINC000185443630 262054338 /nfs/dbraw/zinc/05/43/38/262054338.db2.gz PTZNCWFYGCFHHS-CQSZACIVSA-N 1 0 298.386 3.380 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](CCO)CC(C)C)c1 ZINC000185614944 262062596 /nfs/dbraw/zinc/06/25/96/262062596.db2.gz BLRSEENTWBUOKV-ZIAGYGMSSA-N 1 0 295.423 3.096 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccccc1O)[C@@H](c1ccccc1)N(C)C ZINC000185679629 262066105 /nfs/dbraw/zinc/06/61/05/262066105.db2.gz RTLAOROBNMKPNE-KDOFPFPSSA-N 1 0 284.403 3.173 20 10 CGCDRO Cc1cccc([C@@H](O)C[NH2+][C@H](C)c2cc(F)ccc2O)c1 ZINC000186125187 262081227 /nfs/dbraw/zinc/08/12/27/262081227.db2.gz PFWBBDCVSBGMOX-PXAZEXFGSA-N 1 0 289.350 3.224 20 10 CGCDRO C/C=C/C[C@@H](CO)[NH2+][C@@H](CC)c1ccc(N(C)C)cc1 ZINC000186501434 262095478 /nfs/dbraw/zinc/09/54/78/262095478.db2.gz KACPESZYRYIFKT-TWZYUJDSSA-N 1 0 276.424 3.120 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)C2CCOCC2)c1 ZINC000185782289 262308870 /nfs/dbraw/zinc/30/88/70/262308870.db2.gz KUOZEGSHHSCKDJ-QWHCGFSZSA-N 1 0 263.381 3.166 20 10 CGCDRO COc1cccc(CC[NH2+][C@@H](C)c2ccccc2O)c1 ZINC000059228867 262387171 /nfs/dbraw/zinc/38/71/71/262387171.db2.gz LIIOEAVOVVLUDD-ZDUSSCGKSA-N 1 0 271.360 3.294 20 10 CGCDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1cc(Cl)ccc1O ZINC000367685380 267108575 /nfs/dbraw/zinc/10/85/75/267108575.db2.gz MEUGCSJAKOJYND-DOMZBBRYSA-N 1 0 294.826 3.104 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c1O ZINC000367689373 267109906 /nfs/dbraw/zinc/10/99/06/267109906.db2.gz UXCXDEFYVJWUJM-JKSUJKDBSA-N 1 0 289.419 3.339 20 10 CGCDRO Oc1ccccc1C[NH+]1CCC(c2ccccn2)CC1 ZINC000371527734 267424854 /nfs/dbraw/zinc/42/48/54/267424854.db2.gz IUDKQMNHKGZTTL-UHFFFAOYSA-N 1 0 268.360 3.167 20 10 CGCDRO COC1(C[NH2+][C@@H]2CCc3cccc(O)c32)CCCCC1 ZINC000296320908 277188079 /nfs/dbraw/zinc/18/80/79/277188079.db2.gz FVGPSGBZTRRUTB-CQSZACIVSA-N 1 0 275.392 3.318 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCO[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000271456198 288090849 /nfs/dbraw/zinc/09/08/49/288090849.db2.gz GRHIEGAUSJRYDO-KMFMINBZSA-N 1 0 276.424 3.361 20 10 CGCDRO COc1cccc(C[NH2+]CC[C@H]2CC=CCC2)c1O ZINC000527792248 288196091 /nfs/dbraw/zinc/19/60/91/288196091.db2.gz ZYZYGULOYGIWLH-ZDUSSCGKSA-N 1 0 261.365 3.237 20 10 CGCDRO CC[C@H](C[NH2+][C@@H](C)c1cc(C)ccc1O)N1CCCC1 ZINC000184990671 327835808 /nfs/dbraw/zinc/83/58/08/327835808.db2.gz YKDJWIFCZKLGIE-LSDHHAIUSA-N 1 0 276.424 3.226 20 10 CGCDRO COC[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1ccc(C)o1 ZINC000185631138 327841547 /nfs/dbraw/zinc/84/15/47/327841547.db2.gz QLLCSAQJHHLRHF-FZMZJTMJSA-N 1 0 293.338 3.471 20 10 CGCDRO C[C@@H](CSC(C)(C)C)[NH2+]Cc1ccccc1O ZINC000268845784 328186560 /nfs/dbraw/zinc/18/65/60/328186560.db2.gz PPWAAFGEMWOLGY-NSHDSACASA-N 1 0 253.411 3.402 20 10 CGCDRO Cc1cc(O)c(C[NH+]2CCC(c3ncc[nH]3)CC2)cc1C ZINC000271133467 328195133 /nfs/dbraw/zinc/19/51/33/328195133.db2.gz BFHYYNMEJMJJPV-UHFFFAOYSA-N 1 0 285.391 3.112 20 10 CGCDRO CC(C)[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(C)(C)O ZINC000276883127 328219766 /nfs/dbraw/zinc/21/97/66/328219766.db2.gz LEYXRENVGYGQQW-BBRMVZONSA-N 1 0 278.440 3.199 20 10 CGCDRO COc1ccc(O)c(C[NH+]2CCC3(CCC3)CC2)c1 ZINC000377710519 329026376 /nfs/dbraw/zinc/02/63/76/329026376.db2.gz XBHPXPGGOPZFPR-UHFFFAOYSA-N 1 0 261.365 3.167 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CC2CC=CC2)c(Cl)c1 ZINC000527747046 330280578 /nfs/dbraw/zinc/28/05/78/330280578.db2.gz XWCWARVBPNYMCT-UHFFFAOYSA-N 1 0 251.757 3.410 20 10 CGCDRO CC[C@H]([NH2+]Cc1c(C)c2ccccc2n1C)[C@H]1CCOC1 ZINC000479466345 331731795 /nfs/dbraw/zinc/73/17/95/331731795.db2.gz ZSEJAPFWMSGVTH-HOCLYGCPSA-N 1 0 286.419 3.391 20 10 CGCDRO COc1ccccc1[C@@H](C)[NH2+]Cc1cc(F)ccc1O ZINC000226581947 333265225 /nfs/dbraw/zinc/26/52/25/333265225.db2.gz SQCJLEBZMRLHCE-LLVKDONJSA-N 1 0 275.323 3.391 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CC(C)(C)CCCO)c(O)c1 ZINC000230666426 333320363 /nfs/dbraw/zinc/32/03/63/333320363.db2.gz BESSAYYVONKFQY-ZDUSSCGKSA-N 1 0 265.397 3.150 20 10 CGCDRO CCOc1cccc(C[NH2+][C@H](C)c2ncc(C)s2)c1O ZINC000134911179 334108174 /nfs/dbraw/zinc/10/81/74/334108174.db2.gz YDTWKNFAPLQVBL-LLVKDONJSA-N 1 0 292.404 3.407 20 10 CGCDRO CC[C@H](CCO)C[NH2+][C@H](CC)c1ccc(C)cc1O ZINC000279974155 522146522 /nfs/dbraw/zinc/14/65/22/522146522.db2.gz DFNXFXTYNYCAPR-UKRRQHHQSA-N 1 0 265.397 3.150 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@](C)(O)CC2)cc1 ZINC000279667996 520890932 /nfs/dbraw/zinc/89/09/32/520890932.db2.gz MWJGYKPVCQXAOF-SFHVURJKSA-N 1 0 290.451 3.270 20 10 CGCDRO CCC[C@H](CCO)C[NH2+][C@H](CC)c1ccccc1O ZINC000156139036 521098081 /nfs/dbraw/zinc/09/80/81/521098081.db2.gz FPIYPCRXNBWVEI-UKRRQHHQSA-N 1 0 265.397 3.232 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](C)CCc2ccco2)c1 ZINC000263720355 521155120 /nfs/dbraw/zinc/15/51/20/521155120.db2.gz WFFLCNPFVINGFI-ZDUSSCGKSA-N 1 0 289.375 3.495 20 10 CGCDRO CCOc1cccc(C[NH2+]Cc2ccc(F)cc2)c1O ZINC000019943681 521367643 /nfs/dbraw/zinc/36/76/43/521367643.db2.gz YZTZBKUAOYBIHZ-UHFFFAOYSA-N 1 0 275.323 3.220 20 10 CGCDRO CCC[N@H+](CCC1CCOCC1)Cc1ccccc1O ZINC000292540803 521651082 /nfs/dbraw/zinc/65/10/82/521651082.db2.gz GMUCBCRUDUBPEA-UHFFFAOYSA-N 1 0 277.408 3.421 20 10 CGCDRO CCCN(C[C@@H]1CCC=CO1)c1ccc(C[NH3+])cc1 ZINC000194979399 521674534 /nfs/dbraw/zinc/67/45/34/521674534.db2.gz VBYSXQNGFCGQET-INIZCTEOSA-N 1 0 260.381 3.054 20 10 CGCDRO CCC[N@H+](Cc1ccccc1O)[C@@H](C)c1nnc(C)o1 ZINC000076074287 521690948 /nfs/dbraw/zinc/69/09/48/521690948.db2.gz JWEDEGMSCQYJSV-NSHDSACASA-N 1 0 275.352 3.057 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCc3c2cccc3O)cc1 ZINC000036852467 522210895 /nfs/dbraw/zinc/21/08/95/522210895.db2.gz BZEISEDSQHWYGP-KRWDZBQOSA-N 1 0 282.387 3.235 20 10 CGCDRO COc1cc(C[N@H+](C)Cc2cc(C)ccc2O)ccc1O ZINC000125989355 522349349 /nfs/dbraw/zinc/34/93/49/522349349.db2.gz MRAWRYJUXXLYHJ-UHFFFAOYSA-N 1 0 287.359 3.047 20 10 CGCDRO CC[C@H]([NH2+]C[C@H](C)C[C@H](C)O)c1ccc(C)cc1O ZINC000280064109 522624422 /nfs/dbraw/zinc/62/44/22/522624422.db2.gz KPTHKMZRXSKLDF-IPYPFGDCSA-N 1 0 265.397 3.148 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)Cc1cc(C)n[nH]1)c1ccc(C)cc1O ZINC000280026506 522736710 /nfs/dbraw/zinc/73/67/10/522736710.db2.gz HSRKRSAUEHVYMP-WBMJQRKESA-N 1 0 287.407 3.404 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)c1cn[nH]c1)c1ccc(C)cc1O ZINC000280214477 522740979 /nfs/dbraw/zinc/74/09/79/522740979.db2.gz UIJWDDJHOXALDY-RISCZKNCSA-N 1 0 259.353 3.226 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cnn(CC)c1)c1ccc(C)cc1O ZINC000280077295 522892000 /nfs/dbraw/zinc/89/20/00/522892000.db2.gz LMKFTKBUXGPNNQ-OAHLLOKOSA-N 1 0 273.380 3.158 20 10 CGCDRO CC[C@](C)(O)C[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000087011711 523511569 /nfs/dbraw/zinc/51/15/69/523511569.db2.gz UUCXKWRBNABXQY-PXAZEXFGSA-N 1 0 273.376 3.357 20 10 CGCDRO CO[C@H](C)[C@H](C)[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000276134651 523898382 /nfs/dbraw/zinc/89/83/82/523898382.db2.gz MCNCEMHORWSYDL-RWMBFGLXSA-N 1 0 251.370 3.083 20 10 CGCDRO Cc1cccc(CNc2ccc(C[NH+](C)C)cc2)c1O ZINC000158043068 524442736 /nfs/dbraw/zinc/44/27/36/524442736.db2.gz MYSUNCULDVOHAM-UHFFFAOYSA-N 1 0 270.376 3.374 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)CC(C)C)c1 ZINC000037261103 524775451 /nfs/dbraw/zinc/77/54/51/524775451.db2.gz UVQZTHCUSADCLH-NEPJUHHUSA-N 1 0 251.370 3.486 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2CCCC[C@H]2C[C@@H](C)O)cc1C ZINC000280450844 525316225 /nfs/dbraw/zinc/31/62/25/525316225.db2.gz LHZBVLZQTRRYSH-ZBFHGGJFSA-N 1 0 277.408 3.134 20 10 CGCDRO C[C@H]([NH2+]CCCOCC1CC1)c1ccc(N(C)C)cc1 ZINC000037237048 525341615 /nfs/dbraw/zinc/34/16/15/525341615.db2.gz JPODJYFLSZRFEX-AWEZNQCLSA-N 1 0 276.424 3.220 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2[C@H]3Cc4ccccc4[C@@H]23)c1 ZINC000290555624 525351876 /nfs/dbraw/zinc/35/18/76/525351876.db2.gz SAFRFRGKJGNMTL-CGTJXYLNSA-N 1 0 265.356 3.129 20 10 CGCDRO C[C@H]([NH2+]CCOC1CCCCC1)c1ccccc1O ZINC000104439015 525357573 /nfs/dbraw/zinc/35/75/73/525357573.db2.gz SQCQXRYDBKOYSY-ZDUSSCGKSA-N 1 0 263.381 3.392 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1COc2ccccc21)c1ccccc1O ZINC000290261351 525487729 /nfs/dbraw/zinc/48/77/29/525487729.db2.gz KSMCTCXXXOPXBA-CHWSQXEVSA-N 1 0 269.344 3.219 20 10 CGCDRO Cc1n[nH]cc1CCC[NH2+][C@H](C)c1ccc(C)cc1O ZINC000050182576 525498601 /nfs/dbraw/zinc/49/86/01/525498601.db2.gz IOOPSWLZRUOBCQ-CYBMUJFWSA-N 1 0 273.380 3.016 20 10 CGCDRO COc1cccc(C[NH2+]Cc2cc(C)c(C)cc2O)c1O ZINC000289493982 526023035 /nfs/dbraw/zinc/02/30/35/526023035.db2.gz RZTQCXLRXXSGCW-UHFFFAOYSA-N 1 0 287.359 3.013 20 10 CGCDRO COc1cccc(C[NH2+][C@H]2CCc3ccccc3C2)c1O ZINC000051630650 526038180 /nfs/dbraw/zinc/03/81/80/526038180.db2.gz KIRIKXSKDKHUCI-INIZCTEOSA-N 1 0 283.371 3.048 20 10 CGCDRO Oc1ccc2ccccc2c1C[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000057100682 526356722 /nfs/dbraw/zinc/35/67/22/526356722.db2.gz LTTVFKLYGCMALR-WMZOPIPTSA-N 1 0 283.371 3.299 20 10 CGCDRO Oc1ccc2ccccc2c1C[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000291054986 526357113 /nfs/dbraw/zinc/35/71/13/526357113.db2.gz HKEWIAGDGWDZAP-HNNXBMFYSA-N 1 0 293.370 3.189 20 10 CGCDRO Oc1ccccc1C[NH2+]C1(c2ccccc2F)CC1 ZINC000130537833 526372811 /nfs/dbraw/zinc/37/28/11/526372811.db2.gz BSWYCFNIPKVZSZ-UHFFFAOYSA-N 1 0 257.308 3.310 20 10 CGCDRO Cn1cccc1C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000265676241 527399399 /nfs/dbraw/zinc/39/93/99/527399399.db2.gz YKGITZPJVISXFL-UHFFFAOYSA-N 1 0 283.419 3.305 20 10 CGCDRO CCOc1cccc(C[NH2+][C@H](CC)C2CCOCC2)c1O ZINC000746054287 571953166 /nfs/dbraw/zinc/95/31/66/571953166.db2.gz QDFBLIHKFYHFBH-OAHLLOKOSA-N 1 0 293.407 3.086 20 10 CGCDRO COc1cccc(C[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)c1O ZINC000742376977 572351758 /nfs/dbraw/zinc/35/17/58/572351758.db2.gz JPPVWJSODBEVLW-UKRRQHHQSA-N 1 0 275.392 3.459 20 10 CGCDRO COc1cccc(O)c1C[NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000725847285 572439695 /nfs/dbraw/zinc/43/96/95/572439695.db2.gz YMKYLSHFYOWSOU-DGCLKSJQSA-N 1 0 287.359 3.407 20 10 CGCDRO Cc1occc1C[NH2+]Cc1c(O)cccc1Cl ZINC000733325693 572556493 /nfs/dbraw/zinc/55/64/93/572556493.db2.gz UKHIXEGIWZAWCL-UHFFFAOYSA-N 1 0 251.713 3.237 20 10 CGCDRO COc1cccc(C[NH2+][C@@H]2CC[C@H]3CCC[C@@H]3C2)c1O ZINC000742379354 572570976 /nfs/dbraw/zinc/57/09/76/572570976.db2.gz WGTJZIOUVCKTOD-UMVBOHGHSA-N 1 0 275.392 3.459 20 10 CGCDRO CC1(C[N@H+](Cc2ccccc2O)C2CCCC2)COC1 ZINC000743848692 572688448 /nfs/dbraw/zinc/68/84/48/572688448.db2.gz XVJVNQHIYQNANS-UHFFFAOYSA-N 1 0 275.392 3.173 20 10 CGCDRO CC(C)([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1cccs1 ZINC000735085722 572699898 /nfs/dbraw/zinc/69/98/98/572699898.db2.gz JLAMHLSOLMANKW-UHFFFAOYSA-N 1 0 292.360 3.387 20 10 CGCDRO CCCN(Cc1c(O)ccc2ccncc21)CC(F)F ZINC000748304946 572973145 /nfs/dbraw/zinc/97/31/45/572973145.db2.gz YBPBVEDNQNNYDI-UHFFFAOYSA-N 1 0 280.318 3.418 20 10 CGCDRO CCOc1cccc(C[NH2+]C[C@H](C)c2ccncc2)c1O ZINC000749296312 572991718 /nfs/dbraw/zinc/99/17/18/572991718.db2.gz OKXKYOLKJFKGSM-ZDUSSCGKSA-N 1 0 286.375 3.079 20 10 CGCDRO CCOc1ccc(C[NH2+]C[C@@H](C)c2ccncc2)c(O)c1 ZINC000749294285 572991765 /nfs/dbraw/zinc/99/17/65/572991765.db2.gz FVBLSHQZUUYJJV-CYBMUJFWSA-N 1 0 286.375 3.079 20 10 CGCDRO Cc1cc(CC[NH2+]Cc2cn[nH]c2)c(C)n1-c1ccccc1 ZINC000749915339 573057520 /nfs/dbraw/zinc/05/75/20/573057520.db2.gz DNWJSCDIUUWKEK-UHFFFAOYSA-N 1 0 294.402 3.150 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCC(C)(C)O2)c1 ZINC000187856921 617894669 /nfs/dbraw/zinc/89/46/69/617894669.db2.gz NOIMCQLJNOPQIV-DGCLKSJQSA-N 1 0 279.380 3.009 20 10 CGCDRO COc1ccc(C[N@H+](C2CC2)C2CCCC2)c(O)c1OC ZINC000891600758 618241235 /nfs/dbraw/zinc/24/12/35/618241235.db2.gz XCFLCTHYCQLISX-UHFFFAOYSA-N 1 0 291.391 3.316 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]Cc1ccc(Cl)cc1 ZINC000083482896 618243781 /nfs/dbraw/zinc/24/37/81/618243781.db2.gz BWRNCTOGUYOLGB-UHFFFAOYSA-N 1 0 265.715 3.475 20 10 CGCDRO COc1ccc(C[N@H+]([C@H](C)C2CC2)C2CC2)c(O)c1OC ZINC000891669163 618244912 /nfs/dbraw/zinc/24/49/12/618244912.db2.gz WADKDIRJRABXIY-LLVKDONJSA-N 1 0 291.391 3.172 20 10 CGCDRO Cn1cc(C[N@H+](C)Cc2ccccc2O)c(C2CCCC2)n1 ZINC000891713424 618254546 /nfs/dbraw/zinc/25/45/46/618254546.db2.gz DCTOALYHVXXDML-UHFFFAOYSA-N 1 0 299.418 3.415 20 10 CGCDRO COc1ccc(C[N@H+](C(C)C)C2CCC2)c(O)c1OC ZINC000892099996 618530113 /nfs/dbraw/zinc/53/01/13/618530113.db2.gz ABZPEHAATHTIRK-UHFFFAOYSA-N 1 0 279.380 3.172 20 10 CGCDRO COc1ccc(C[N@H+](C)[C@@H](C)C2(C)CC2)c(O)c1OC ZINC000892217267 618600388 /nfs/dbraw/zinc/60/03/88/618600388.db2.gz CWWXHVRFPPOSCM-NSHDSACASA-N 1 0 279.380 3.030 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCOCCC(C)C)c1 ZINC000045094059 618618904 /nfs/dbraw/zinc/61/89/04/618618904.db2.gz FAYKBBVFQRXPOE-CQSZACIVSA-N 1 0 265.397 3.414 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CC[C@@H](C)C2)c1O ZINC000131287278 618728587 /nfs/dbraw/zinc/72/85/87/618728587.db2.gz STWOHYYIKKQIJG-BXKDBHETSA-N 1 0 269.772 3.332 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]CCCSc2nccs2)[C@H]1C ZINC000309771818 618768759 /nfs/dbraw/zinc/76/87/59/618768759.db2.gz KRCOUCJCLWTOFF-VWYCJHECSA-N 1 0 256.440 3.259 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H](CO)C2)c(O)c1C ZINC000840895623 618963675 /nfs/dbraw/zinc/96/36/75/618963675.db2.gz PDZVLTREMDLTBH-ZNMIVQPWSA-N 1 0 277.408 3.211 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCCSC2)c(Cl)c1 ZINC000840902339 619072046 /nfs/dbraw/zinc/07/20/46/619072046.db2.gz OBQKNPNLKPOSCR-SNVBAGLBSA-N 1 0 271.813 3.339 20 10 CGCDRO CC[C@H]([NH2+]C[C@H](O)C(F)(F)F)c1cc(Cl)ccc1O ZINC000775494099 619074954 /nfs/dbraw/zinc/07/49/54/619074954.db2.gz YCDKTSPKUKTTKW-ONGXEEELSA-N 1 0 297.704 3.010 20 10 CGCDRO CC[C@H]([NH2+]Cc1nccn1CC(C)C)c1ccccc1O ZINC000185212525 625319381 /nfs/dbraw/zinc/31/93/81/625319381.db2.gz YFCFURPOAPIACQ-HNNXBMFYSA-N 1 0 287.407 3.486 20 10 CGCDRO COc1cccc(O)c1C[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC000856806079 619138200 /nfs/dbraw/zinc/13/82/00/619138200.db2.gz ACVUUUAIEWJXMV-SECBINFHSA-N 1 0 290.190 3.074 20 10 CGCDRO CCOc1cccc(C[NH2+]CCOCC2CCCC2)c1O ZINC000313247218 619165580 /nfs/dbraw/zinc/16/55/80/619165580.db2.gz CFTJNDRPOFBXKB-UHFFFAOYSA-N 1 0 293.407 3.087 20 10 CGCDRO C[C@H]1SCC[N@H+](Cc2cc(Cl)ccc2O)[C@@H]1C ZINC000093500529 619202167 /nfs/dbraw/zinc/20/21/67/619202167.db2.gz GFMYWZMJYBOLPD-NXEZZACHSA-N 1 0 271.813 3.371 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CCC2CCOCC2)cc1 ZINC000313939537 619203518 /nfs/dbraw/zinc/20/35/18/619203518.db2.gz YIFNHDUQJDGULZ-UHFFFAOYSA-N 1 0 290.451 3.439 20 10 CGCDRO COc1cnccc1[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840938435 619227922 /nfs/dbraw/zinc/22/79/22/619227922.db2.gz DPXBCAPTAIUNBM-AWEZNQCLSA-N 1 0 299.418 3.315 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCC[C@@H]1CCCCO1 ZINC000840939803 619231114 /nfs/dbraw/zinc/23/11/14/619231114.db2.gz RFGLTUXQCRMQEC-SFHVURJKSA-N 1 0 290.451 3.500 20 10 CGCDRO CCn1cc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c(C)n1 ZINC000893684026 619278505 /nfs/dbraw/zinc/27/85/05/619278505.db2.gz NPIYQGWUMFPXHP-ZDUSSCGKSA-N 1 0 286.423 3.128 20 10 CGCDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])C[NH+]1CCCCC1 ZINC000062747868 619282803 /nfs/dbraw/zinc/28/28/03/619282803.db2.gz GHLAQHLYTBCBHJ-KBPBESRZSA-N 1 0 294.414 3.304 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1ccoc1 ZINC000840977513 619309014 /nfs/dbraw/zinc/30/90/14/619309014.db2.gz VARGSPPBZKWOLZ-CQSZACIVSA-N 1 0 272.392 3.375 20 10 CGCDRO CC(C)N(C)CC[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000185307217 625339806 /nfs/dbraw/zinc/33/98/06/625339806.db2.gz OLNTYVOCIZTIRW-AWEZNQCLSA-N 1 0 290.451 3.262 20 10 CGCDRO CCN1CCCC[C@H]1C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000248521777 619380565 /nfs/dbraw/zinc/38/05/65/619380565.db2.gz RSCGODSYUOKLEJ-OCCSQVGLSA-N 1 0 280.387 3.056 20 10 CGCDRO CCCN(CCC)c1ccc(C[NH2+][C@@H](C)COC)cc1 ZINC000236998614 619383737 /nfs/dbraw/zinc/38/37/37/619383737.db2.gz SXSFVKHQIFJQRW-HNNXBMFYSA-N 1 0 278.440 3.438 20 10 CGCDRO COc1cc(C)cc(C[NH2+]C[C@H]2Cc3ccccc32)c1O ZINC000894237296 619435220 /nfs/dbraw/zinc/43/52/20/619435220.db2.gz JFPJCAOHKNLFJF-CQSZACIVSA-N 1 0 283.371 3.139 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@@H]2CCCC(F)(F)C2)c1O ZINC000894331285 619494616 /nfs/dbraw/zinc/49/46/16/619494616.db2.gz DGVMQQVXYKOAAJ-GFCCVEGCSA-N 1 0 285.334 3.377 20 10 CGCDRO CCC(CC)[C@@H](O)C[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000185424777 625358069 /nfs/dbraw/zinc/35/80/69/625358069.db2.gz NHYIDZMJNGMTHJ-LRDDRELGSA-N 1 0 265.397 3.148 20 10 CGCDRO COCC1(CC[NH2+]Cc2cc(C)cc(OC)c2O)CCC1 ZINC000894857743 619655946 /nfs/dbraw/zinc/65/59/46/619655946.db2.gz ROEVFGDTTZNPTN-UHFFFAOYSA-N 1 0 293.407 3.006 20 10 CGCDRO Cc1ncoc1C[NH2+][C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000895014926 619695974 /nfs/dbraw/zinc/69/59/74/619695974.db2.gz QHYFYQRORDNHCT-ZDUSSCGKSA-N 1 0 287.407 3.078 20 10 CGCDRO C[C@@H]1CN(Cc2c(O)cccc2Cl)C[C@@H](C2CC2)O1 ZINC000793220111 619706281 /nfs/dbraw/zinc/70/62/81/619706281.db2.gz RATWOMGDYVSWBN-BMIGLBTASA-N 1 0 281.783 3.045 20 10 CGCDRO COc1cc(C)cc(C[NH2+]CC2CCC(F)CC2)c1O ZINC000895082587 619719672 /nfs/dbraw/zinc/71/96/72/619719672.db2.gz GMLRCTWQJNLMQM-UHFFFAOYSA-N 1 0 281.371 3.327 20 10 CGCDRO CC[C@@H]([NH2+]C1CC2(C1)CO[C@H](C)C2)c1ccccc1O ZINC000895133056 619746346 /nfs/dbraw/zinc/74/63/46/619746346.db2.gz FNJVPUVLKXKRAW-RZZRIIHNSA-N 1 0 275.392 3.391 20 10 CGCDRO COc1ccc(O)c(C[NH2+]CCc2ccc(Cl)cc2)c1 ZINC000020122588 619766977 /nfs/dbraw/zinc/76/69/77/619766977.db2.gz VEXPOCWBSBDJQL-UHFFFAOYSA-N 1 0 291.778 3.387 20 10 CGCDRO CCOc1cccc(C[NH2+][C@H](C2CC2)C2CCC2)c1O ZINC000325049813 625374293 /nfs/dbraw/zinc/37/42/93/625374293.db2.gz PAQJOBCYCKMMNP-INIZCTEOSA-N 1 0 275.392 3.459 20 10 CGCDRO Cc1noc2ncc(C[NH2+][C@H](C)c3ccccc3O)cc12 ZINC000895460100 619833297 /nfs/dbraw/zinc/83/32/97/619833297.db2.gz JECVAORQBOOLNN-SNVBAGLBSA-N 1 0 283.331 3.088 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H]([C@H]3CCCO3)C2)cc1Cl ZINC000895841567 619891790 /nfs/dbraw/zinc/89/17/90/619891790.db2.gz CSGYCARCMSSWRK-BLLLJJGKSA-N 1 0 295.810 3.355 20 10 CGCDRO Cc1ccc(C[NH2+]CC2C[C@H]3CC[C@@H](C2)S3)c(O)c1 ZINC000896257442 619979536 /nfs/dbraw/zinc/97/95/36/619979536.db2.gz PMOAQOAQLVNPTH-LQDVMPOASA-N 1 0 277.433 3.464 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCS[C@@H](C(F)(F)F)C1 ZINC000896453949 620009146 /nfs/dbraw/zinc/00/91/46/620009146.db2.gz QXZYDYDQHARTNY-GFCCVEGCSA-N 1 0 291.338 3.180 20 10 CGCDRO CSCC1CC[NH+](Cc2ccc(C)cc2O)CC1 ZINC000896934075 620106041 /nfs/dbraw/zinc/10/60/41/620106041.db2.gz HEXIUKJRZIQOQA-UHFFFAOYSA-N 1 0 265.422 3.276 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCS[C@@H](C)C1 ZINC000896951540 620111571 /nfs/dbraw/zinc/11/15/71/620111571.db2.gz KFBZDCBHQHDGFG-DZGCQCFKSA-N 1 0 278.465 3.435 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCC[C@H](C3CCOCC3)C2)c1O ZINC000897269454 620175661 /nfs/dbraw/zinc/17/56/61/620175661.db2.gz GETCSFFDRKZXBS-INIZCTEOSA-N 1 0 289.419 3.339 20 10 CGCDRO CCc1cccc(C[NH2+]C2([C@@H]3CCCCO3)CC2)c1O ZINC000897387180 620279702 /nfs/dbraw/zinc/27/97/02/620279702.db2.gz JENFNVJRMXFTSK-HNNXBMFYSA-N 1 0 275.392 3.146 20 10 CGCDRO Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)c(O)c1 ZINC000897746415 620428978 /nfs/dbraw/zinc/42/89/78/620428978.db2.gz IFRUDOBUVNQYTL-AGUYFDCRSA-N 1 0 263.406 3.217 20 10 CGCDRO COc1cccc(O)c1C[NH2+][C@@H]1CCSC(C)(C)C1 ZINC000897800873 620434858 /nfs/dbraw/zinc/43/48/58/620434858.db2.gz VTBWTSCVOPBLDN-LLVKDONJSA-N 1 0 281.421 3.165 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H](C)c2cncs2)c1O ZINC000897931014 620447654 /nfs/dbraw/zinc/44/76/54/620447654.db2.gz URUFNMCPHYIADG-JTQLQIEISA-N 1 0 262.378 3.262 20 10 CGCDRO C[C@@H](Cc1cccnc1)[NH2+]Cc1cc(Cl)ccc1O ZINC000897969017 620459214 /nfs/dbraw/zinc/45/92/14/620459214.db2.gz BYTVWTZFSGWOBX-NSHDSACASA-N 1 0 276.767 3.161 20 10 CGCDRO Nc1ccc(CC[NH2+]Cc2ccc(C3CC3)cc2)cc1 ZINC000841038198 620480375 /nfs/dbraw/zinc/48/03/75/620480375.db2.gz HAPQEWRWQHFBSE-UHFFFAOYSA-N 1 0 266.388 3.479 20 10 CGCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]CC[C@@H](O)C1CC1 ZINC000898206775 620487798 /nfs/dbraw/zinc/48/77/98/620487798.db2.gz VPWXKJWKUYFDFN-LJQANCHMSA-N 1 0 297.398 3.310 20 10 CGCDRO CCc1ccc(C[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)cc1 ZINC000841040439 620518730 /nfs/dbraw/zinc/51/87/30/620518730.db2.gz MRFBJFWXPLYVMI-IBGZPJMESA-N 1 0 297.446 3.105 20 10 CGCDRO CCOc1cccc(CNc2ccccc2C[NH2+]C)c1O ZINC000841043462 620541000 /nfs/dbraw/zinc/54/10/00/620541000.db2.gz QKQALZWPGQRYNN-UHFFFAOYSA-N 1 0 286.375 3.122 20 10 CGCDRO C[C@@H]1CC[C@H]([NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000841046024 620544159 /nfs/dbraw/zinc/54/41/59/620544159.db2.gz UOASHSWSAAUUNE-NONVJHHQSA-N 1 0 289.467 3.167 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000898516176 620594852 /nfs/dbraw/zinc/59/48/52/620594852.db2.gz NNWOETNWCKNQIR-ZBFHGGJFSA-N 1 0 275.392 3.031 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)N[C@H]2C[NH2+]CC2(C)C)c1O ZINC000902441652 621321196 /nfs/dbraw/zinc/32/11/96/621321196.db2.gz FNACFUNZKVWZSZ-MFKMUULPSA-N 1 0 282.815 3.003 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H](CO)CCc2ccccc2)c(O)c1 ZINC000903289453 621672925 /nfs/dbraw/zinc/67/29/25/621672925.db2.gz JYVMQOHCRFILMO-WBVHZDCISA-N 1 0 299.414 3.345 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](c2ncccn2)C2CC2)c1 ZINC000903327827 621701449 /nfs/dbraw/zinc/70/14/49/621701449.db2.gz ZPJFEKJSUZEUGR-BLLLJJGKSA-N 1 0 283.375 3.293 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCOC12CCCC2)c1ccccc1O ZINC000903383481 621725299 /nfs/dbraw/zinc/72/52/99/621725299.db2.gz OZSQMRYRZXVZDM-SWLSCSKDSA-N 1 0 261.365 3.145 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@H]2COC[C@@H]2C2CC2)c(O)c1 ZINC000903434741 621745321 /nfs/dbraw/zinc/74/53/21/621745321.db2.gz ARKIPJYMZCLTRT-CFVMTHIKSA-N 1 0 275.392 3.085 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H]2c3ccccc3NC2(C)C)c1 ZINC000903948935 621840470 /nfs/dbraw/zinc/84/04/70/621840470.db2.gz WBOKLMHGUDKTMU-QGZVFWFLSA-N 1 0 298.386 3.436 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCO[C@H](C)CC2)cc1C(C)C ZINC000905742157 622103378 /nfs/dbraw/zinc/10/33/78/622103378.db2.gz ZVFDIRUOLOCAQW-CQSZACIVSA-N 1 0 277.408 3.435 20 10 CGCDRO CCO[C@H]1C[C@@H]([NH2+][C@H](CC)c2ccc(C)cc2O)C1 ZINC000840763427 625551057 /nfs/dbraw/zinc/55/10/57/625551057.db2.gz HFNJEKWVBPUMRP-VNHYZAJKSA-N 1 0 263.381 3.309 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@]3(CCOC3)C2)cc1C(C)C ZINC000151284665 622758583 /nfs/dbraw/zinc/75/85/83/622758583.db2.gz VBJWMLAAQIEAFN-SFHVURJKSA-N 1 0 289.419 3.436 20 10 CGCDRO CC[N@H+](Cc1cc(C)cc(OC)c1O)C1CCCC1 ZINC000164118023 622815487 /nfs/dbraw/zinc/81/54/87/622815487.db2.gz IPOHUEBWPRQLNY-UHFFFAOYSA-N 1 0 263.381 3.474 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)c1O ZINC000164242529 622821510 /nfs/dbraw/zinc/82/15/10/622821510.db2.gz QDVMIBKGROSKDO-ZFWWWQNUSA-N 1 0 275.392 3.474 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@H+]2CCS[C@@H](C)[C@@H]2C)c1 ZINC000164345525 622829455 /nfs/dbraw/zinc/82/94/55/622829455.db2.gz CDRRZMIQHFHZDY-STQMWFEESA-N 1 0 265.422 3.335 20 10 CGCDRO CC(C)C[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000057993851 622894785 /nfs/dbraw/zinc/89/47/85/622894785.db2.gz GOQVOCPWLZTADY-OKILXGFUSA-N 1 0 294.414 3.185 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+][C@@H]1CCc2ccccc21 ZINC000226583503 622984536 /nfs/dbraw/zinc/98/45/36/622984536.db2.gz HBPBZNVIKBRCCX-OAHLLOKOSA-N 1 0 257.308 3.308 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]C[C@@H]2CCCCS2)c1 ZINC000158091828 623004621 /nfs/dbraw/zinc/00/46/21/623004621.db2.gz SLQLBKNWRFXZTE-ZDUSSCGKSA-N 1 0 251.395 3.076 20 10 CGCDRO CC[NH2+]CCC[NH2+][C@H](CC)c1cccc(Cl)c1[O-] ZINC000817943412 625622825 /nfs/dbraw/zinc/62/28/25/625622825.db2.gz NBCBVAMQVOITFL-CYBMUJFWSA-N 1 0 270.804 3.086 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]CCSC(F)(F)F ZINC000171128259 623135058 /nfs/dbraw/zinc/13/50/58/623135058.db2.gz XHKANZWBTWVITJ-UHFFFAOYSA-N 1 0 285.718 3.388 20 10 CGCDRO COc1ccc(C[NH2+]Cc2cc(Cl)ccc2O)cc1O ZINC000171134446 623136887 /nfs/dbraw/zinc/13/68/87/623136887.db2.gz WMDOUYNEGSJTMG-UHFFFAOYSA-N 1 0 293.750 3.050 20 10 CGCDRO C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(F)cc1[O-] ZINC000062745045 623265498 /nfs/dbraw/zinc/26/54/98/623265498.db2.gz KAUPCJYSMNRIQT-CYBMUJFWSA-N 1 0 280.387 3.058 20 10 CGCDRO Cc1csc(CC[NH2+][C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000063132834 623301893 /nfs/dbraw/zinc/30/18/93/623301893.db2.gz KGXRXBIWMKTCBL-CYBMUJFWSA-N 1 0 289.448 3.411 20 10 CGCDRO C[N@H+](CC1=CCSC1)Cc1c(O)cccc1Cl ZINC000827805350 623470713 /nfs/dbraw/zinc/47/07/13/623470713.db2.gz IZBKROJFXIFJCR-UHFFFAOYSA-N 1 0 269.797 3.151 20 10 CGCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCC[C@H]3C)CC2)cc1 ZINC000151872129 623578822 /nfs/dbraw/zinc/57/88/22/623578822.db2.gz ZBUNQVOVRYFNMX-RDTXWAMCSA-N 1 0 288.435 3.442 20 10 CGCDRO CC[N@@H+](Cc1ccc(N2CCOCC2)cc1)CC(C)C ZINC000153690742 624022137 /nfs/dbraw/zinc/02/21/37/624022137.db2.gz NOUMIUBPVYYDPY-UHFFFAOYSA-N 1 0 276.424 3.001 20 10 CGCDRO CCC(CC)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000153904401 624123773 /nfs/dbraw/zinc/12/37/73/624123773.db2.gz ZABRTKARVIEEFL-UHFFFAOYSA-N 1 0 290.451 3.391 20 10 CGCDRO CC(C)OCC[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000917075568 624233341 /nfs/dbraw/zinc/23/33/41/624233341.db2.gz ZZFKNJNDTIKXPC-UHFFFAOYSA-N 1 0 278.440 3.388 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)cc1 ZINC000921495925 624596103 /nfs/dbraw/zinc/59/61/03/624596103.db2.gz JNJNSMXNEOVYFS-YESZJQIVSA-N 1 0 288.435 3.047 20 10 CGCDRO CC[N@@H+](Cc1ccccc1O)C[C@@H](O)c1ccc(C)cc1 ZINC000179579640 624666492 /nfs/dbraw/zinc/66/64/92/624666492.db2.gz QLKSMOSVTZSIHD-GOSISDBHSA-N 1 0 285.387 3.256 20 10 CGCDRO CCC[N@@H+](Cc1cc(OC)ccc1O)C[C@H]1CCCCO1 ZINC000180068564 624714748 /nfs/dbraw/zinc/71/47/48/624714748.db2.gz QLFAWZAUMKRUJP-MRXNPFEDSA-N 1 0 293.407 3.182 20 10 CGCDRO CC[C@@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1ccc(N(C)C)cc1 ZINC000121402277 634417039 /nfs/dbraw/zinc/41/70/39/634417039.db2.gz VYZNBSMWFPBJMR-UWWQBHOKSA-N 1 0 290.451 3.344 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C/C(Cl)=C/Cl)c1 ZINC000182334816 624986988 /nfs/dbraw/zinc/98/69/88/624986988.db2.gz WUJTZGDGKFMMKF-WSQKDGNHSA-N 1 0 276.163 3.370 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccnn1C)c1ccc2ccccc2c1O ZINC000071333088 625078046 /nfs/dbraw/zinc/07/80/46/625078046.db2.gz XAHNREMOLXMGSI-GFCCVEGCSA-N 1 0 281.359 3.130 20 10 CGCDRO Cc1nn(C)c(C)c1CCC[NH2+][C@H](C)c1ccccc1O ZINC000183644753 625100523 /nfs/dbraw/zinc/10/05/23/625100523.db2.gz GOIHKXQRXRIPSH-GFCCVEGCSA-N 1 0 287.407 3.026 20 10 CGCDRO COC[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1ccccc1 ZINC000921741348 625859261 /nfs/dbraw/zinc/85/92/61/625859261.db2.gz SDMCKHJLSJCRFY-GOSISDBHSA-N 1 0 297.398 3.489 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)[C@H]1CCCO1 ZINC000921934063 625934876 /nfs/dbraw/zinc/93/48/76/625934876.db2.gz NYZCEFFJZOKFGB-DOTOQJQBSA-N 1 0 275.392 3.059 20 10 CGCDRO COC1(CC[NH2+]Cc2ccc3c(c2)CCCO3)CCC1 ZINC000922145909 625972664 /nfs/dbraw/zinc/97/26/64/625972664.db2.gz FOWXJQIDFZWQNF-UHFFFAOYSA-N 1 0 275.392 3.060 20 10 CGCDRO CC1(C)C[C@H](C[NH2+]Cc2ccc3c(c2)CCCO3)CCO1 ZINC000922168710 625978572 /nfs/dbraw/zinc/97/85/72/625978572.db2.gz BDQJFBPLQMPTAM-OAHLLOKOSA-N 1 0 289.419 3.306 20 10 CGCDRO FC1(F)C[C@@H]1CC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922273681 625992661 /nfs/dbraw/zinc/99/26/61/625992661.db2.gz ZPDVQKMIAKRWTB-ZDUSSCGKSA-N 1 0 267.319 3.147 20 10 CGCDRO c1cc2c(cc1C[NH2+][C@H]1CCC[C@@]13CCCO3)CCCO2 ZINC000922338529 626000661 /nfs/dbraw/zinc/00/06/61/626000661.db2.gz STRKUSQEHCHAKZ-ZWKOTPCHSA-N 1 0 287.403 3.203 20 10 CGCDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)cc2)CCS1 ZINC000922841874 626055515 /nfs/dbraw/zinc/05/55/15/626055515.db2.gz DRFTWNQEXVEZMD-GXTWGEPZSA-N 1 0 264.438 3.126 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]C[C@]23C[C@H]2CCC3)c1 ZINC000922965057 626111838 /nfs/dbraw/zinc/11/18/38/626111838.db2.gz SAOHFNHUFQWAQQ-CJNGLKHVSA-N 1 0 261.365 3.071 20 10 CGCDRO Oc1cncc(C[NH2+]Cc2ccc(N3CCCCC3)cc2)c1 ZINC000922976982 626113909 /nfs/dbraw/zinc/11/39/09/626113909.db2.gz KZBVOUQGDVLYSK-UHFFFAOYSA-N 1 0 297.402 3.067 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H]2CCc3ccccc32)c1O ZINC000124675686 634479992 /nfs/dbraw/zinc/47/99/92/634479992.db2.gz SIZGQYLBHRGLGV-MRXNPFEDSA-N 1 0 253.345 3.478 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C23CC4CC(CC(C4)C2)C3)c1 ZINC000020086564 634481453 /nfs/dbraw/zinc/48/14/53/634481453.db2.gz VKDWRDGCYGABSO-UHFFFAOYSA-N 1 0 287.403 3.459 20 10 CGCDRO C[C@@H]([NH2+]CC1(O)CCC(C)(C)CC1)c1ccccc1O ZINC000087045914 626165213 /nfs/dbraw/zinc/16/52/13/626165213.db2.gz QGPOODRZDNGSAK-CYBMUJFWSA-N 1 0 277.408 3.374 20 10 CGCDRO C[C@H]([NH2+]CC1(N(C)C)CCCCC1)c1ccccc1O ZINC000020094565 634482249 /nfs/dbraw/zinc/48/22/49/634482249.db2.gz NTZYFBDHYDWBDI-AWEZNQCLSA-N 1 0 276.424 3.307 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)C[C@@H]2CC2(Cl)Cl)cc1 ZINC000838523517 626234172 /nfs/dbraw/zinc/23/41/72/626234172.db2.gz XTDDLWLDVFTRRS-LBPRGKRZSA-N 1 0 287.234 3.378 20 10 CGCDRO CCCN(Cc1ccc2c(n1)CCC2)c1ccc(C[NH3+])cc1 ZINC000839060283 626305328 /nfs/dbraw/zinc/30/53/28/626305328.db2.gz ZIMCOTLYTAQYPR-UHFFFAOYSA-N 1 0 295.430 3.446 20 10 CGCDRO CCOc1ccc(O)c(C[NH+]2CC(CC(F)(F)F)C2)c1 ZINC000839138632 626322467 /nfs/dbraw/zinc/32/24/67/626322467.db2.gz RSZJBZKDKYXSKF-UHFFFAOYSA-N 1 0 289.297 3.175 20 10 CGCDRO CCOC[C@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000839170676 626324868 /nfs/dbraw/zinc/32/48/68/626324868.db2.gz RUDKOUSKSVDNPK-QGZVFWFLSA-N 1 0 276.424 3.144 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CC[C@H](C(C)(C)C)C1 ZINC000753589574 626457295 /nfs/dbraw/zinc/45/72/95/626457295.db2.gz JSUAVRFGGRFHPA-LBPRGKRZSA-N 1 0 263.381 3.269 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc1C ZINC000754083816 626474837 /nfs/dbraw/zinc/47/48/37/626474837.db2.gz VHQHMALCKAWFNE-USXIJHARSA-N 1 0 287.403 3.051 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2c(O)ccc3ccncc32)CCS1 ZINC000754882372 626592393 /nfs/dbraw/zinc/59/23/93/626592393.db2.gz LLQCTAJSQXJOGL-GFCCVEGCSA-N 1 0 288.416 3.268 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CC(C)(C)COC)cc1F ZINC000755196878 626606552 /nfs/dbraw/zinc/60/65/52/626606552.db2.gz YQNCYULXIHYBLR-UHFFFAOYSA-N 1 0 296.430 3.434 20 10 CGCDRO CCOCCC[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756342083 626694080 /nfs/dbraw/zinc/69/40/80/626694080.db2.gz MDXCOGNDRDTJNT-ZYHUDNBSSA-N 1 0 267.344 3.096 20 10 CGCDRO C[C@@H]([NH2+]CCOCC(F)(F)F)c1cc(Cl)ccc1O ZINC000756469843 626707743 /nfs/dbraw/zinc/70/77/43/626707743.db2.gz LKTOUNBVPIZHRL-MRVPVSSYSA-N 1 0 297.704 3.275 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccn(C)n1 ZINC000756496945 626709800 /nfs/dbraw/zinc/70/98/00/626709800.db2.gz KIZWTYIFCMJMOB-INIZCTEOSA-N 1 0 298.434 3.043 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(CC3CC3)C2)c(O)c1C ZINC000756556715 626714462 /nfs/dbraw/zinc/71/44/62/626714462.db2.gz XMWRQTWOHYPDHC-GDBMZVCRSA-N 1 0 288.435 3.144 20 10 CGCDRO C[C@@H]([NH2+]C[C@@]1(C)CCOC1)c1cc2c(cc1O)CCCC2 ZINC000756574551 626717118 /nfs/dbraw/zinc/71/71/18/626717118.db2.gz NBFLHPYSCBTAKG-FZKQIMNGSA-N 1 0 289.419 3.348 20 10 CGCDRO CCC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000756579151 626717566 /nfs/dbraw/zinc/71/75/66/626717566.db2.gz ZIZDDWPXZLNLIJ-BBRMVZONSA-N 1 0 265.397 3.211 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)CC(C)(C)C)c(O)c1C ZINC000756591304 626718577 /nfs/dbraw/zinc/71/85/77/626718577.db2.gz QOVAUUMJFVLCOH-KGLIPLIRSA-N 1 0 279.424 3.457 20 10 CGCDRO CC(C)n1ccc(C[NH2+][C@H](C)c2cc(F)ccc2O)n1 ZINC000756595436 626719159 /nfs/dbraw/zinc/71/91/59/626719159.db2.gz VAACNJXQIBAGDC-LLVKDONJSA-N 1 0 277.343 3.160 20 10 CGCDRO CCc1cc(C[NH2+][C@H](C)c2ccc(C)c(C)c2O)on1 ZINC000756605469 626719699 /nfs/dbraw/zinc/71/96/99/626719699.db2.gz IOERWNXKEUYIRO-GFCCVEGCSA-N 1 0 274.364 3.410 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCN2CC[C@H](C)C2)c(O)c1C ZINC000756627392 626722228 /nfs/dbraw/zinc/72/22/28/626722228.db2.gz HYFMKZKISOOVBR-WFASDCNBSA-N 1 0 276.424 3.001 20 10 CGCDRO CCCN(CC)CC[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000756638088 626723198 /nfs/dbraw/zinc/72/31/98/626723198.db2.gz RMPXSAGQYYQUDQ-OAHLLOKOSA-N 1 0 278.440 3.392 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](CO)c2ccccc2C)c1 ZINC000756638001 626723330 /nfs/dbraw/zinc/72/33/30/626723330.db2.gz PUWMHOAORGPBGI-RHSMWYFYSA-N 1 0 285.387 3.393 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CCCO2)c2c1c(F)ccc2O ZINC000756644951 626724079 /nfs/dbraw/zinc/72/40/79/626724079.db2.gz GRYCUTZKZNJNLM-SIVJFFJCSA-N 1 0 279.355 3.238 20 10 CGCDRO COC(C)(C)C[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000756647814 626724087 /nfs/dbraw/zinc/72/40/87/626724087.db2.gz VAXAWFYLOZMDKQ-GFCCVEGCSA-N 1 0 277.408 3.347 20 10 CGCDRO Cc1ccsc1[C@H](CO)[NH2+][C@H](C)c1cc(C)ccc1O ZINC000756735611 626728786 /nfs/dbraw/zinc/72/87/86/626728786.db2.gz GEEBLUSUCCLWTP-OCCSQVGLSA-N 1 0 291.416 3.455 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CC2(CCO)CCC2)c(O)c1C ZINC000756764403 626729933 /nfs/dbraw/zinc/72/99/33/626729933.db2.gz IQRJFVGURYXIDY-AWEZNQCLSA-N 1 0 277.408 3.212 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)C(C)(C)O ZINC000756820368 626734980 /nfs/dbraw/zinc/73/49/80/626734980.db2.gz VWUSWIDFYACDDV-NWDGAFQWSA-N 1 0 277.408 3.081 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)cc1 ZINC000839634646 626768687 /nfs/dbraw/zinc/76/86/87/626768687.db2.gz DYRIBXGMUKXECD-RBUKOAKNSA-N 1 0 296.414 3.061 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])[C@H]1CCCOC1 ZINC000757635915 626795811 /nfs/dbraw/zinc/79/58/11/626795811.db2.gz BRBBRYSLOWBOGO-VWYCJHECSA-N 1 0 285.334 3.136 20 10 CGCDRO COC1(C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)CCC1 ZINC000757636926 626796557 /nfs/dbraw/zinc/79/65/57/626796557.db2.gz KYIIOVFACBAUEP-JQWIXIFHSA-N 1 0 279.355 3.238 20 10 CGCDRO CC(C)(C)C1=CC[N@H+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000758357399 626838797 /nfs/dbraw/zinc/83/87/97/626838797.db2.gz HTOLKAYQBDKTKM-UHFFFAOYSA-N 1 0 289.375 3.299 20 10 CGCDRO CC(C)(C[NH2+]Cc1ccc2c(c1)CCO2)[C@@H]1CCCCO1 ZINC000758497869 626846380 /nfs/dbraw/zinc/84/63/80/626846380.db2.gz HKIKYACSXVTQDQ-KRWDZBQOSA-N 1 0 289.419 3.306 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CC2(CCC2)C[C@@H]1C ZINC000763650191 627172194 /nfs/dbraw/zinc/17/21/94/627172194.db2.gz YHWXNGSPIARHBZ-LBPRGKRZSA-N 1 0 261.365 3.165 20 10 CGCDRO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]Cc1cc(C)ccc1O ZINC000765262525 627244125 /nfs/dbraw/zinc/24/41/25/627244125.db2.gz QKXRUNDSPKCTOJ-JKSUJKDBSA-N 1 0 277.408 3.384 20 10 CGCDRO COC[C@H](CC(C)C)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000766030008 627288810 /nfs/dbraw/zinc/28/88/10/627288810.db2.gz RYBAYEWCRBEICH-INIZCTEOSA-N 1 0 278.440 3.212 20 10 CGCDRO COC[C@@H](CC(C)C)[NH2+]CCCSc1nccs1 ZINC000766074662 627292561 /nfs/dbraw/zinc/29/25/61/627292561.db2.gz YZSCTXCFEOJPAS-GFCCVEGCSA-N 1 0 288.482 3.276 20 10 CGCDRO Cc1ccccc1[C@H](CO)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000766402407 627328071 /nfs/dbraw/zinc/32/80/71/627328071.db2.gz XEXRGSIRPGHWJN-KXBFYZLASA-N 1 0 298.430 3.445 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C2CCC(C)(O)CC2)cc1 ZINC000766478334 627335605 /nfs/dbraw/zinc/33/56/05/627335605.db2.gz IUUPESKOTMYYQK-NXVRBGIVSA-N 1 0 290.451 3.487 20 10 CGCDRO CCC[N@H+](Cc1ccc(N(C)C)c(F)c1)C1CC1 ZINC000768292287 627472814 /nfs/dbraw/zinc/47/28/14/627472814.db2.gz YLTWTBBRLKXRBN-UHFFFAOYSA-N 1 0 250.361 3.266 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H]2c2ccccn2)cc1 ZINC000768355339 627475989 /nfs/dbraw/zinc/47/59/89/627475989.db2.gz NKIRLWADOJXCSJ-SFHVURJKSA-N 1 0 281.403 3.485 20 10 CGCDRO CCCC[N@H+](Cc1cc(OC)c(C)cc1O)C1CC1 ZINC000768441388 627480780 /nfs/dbraw/zinc/48/07/80/627480780.db2.gz KRMSXHPZKQYPQR-UHFFFAOYSA-N 1 0 263.381 3.474 20 10 CGCDRO CC[C@]1(C)CC[N@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000768463027 627481097 /nfs/dbraw/zinc/48/10/97/627481097.db2.gz FBRVJHMDAUXJKP-MRXNPFEDSA-N 1 0 263.381 3.331 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CCC[C@@H](CC)C2)c(O)c1 ZINC000768844718 627503128 /nfs/dbraw/zinc/50/31/28/627503128.db2.gz CXPOPWAMSBYGIT-CYBMUJFWSA-N 1 0 263.381 3.413 20 10 CGCDRO C[C@@H]1COCCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000769457677 627555100 /nfs/dbraw/zinc/55/51/00/627555100.db2.gz OMCOKGLLVFMQJJ-MRXNPFEDSA-N 1 0 288.435 3.288 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H](CO)c2ccsc2)c(O)c1 ZINC000769985571 627595152 /nfs/dbraw/zinc/59/51/52/627595152.db2.gz MUEDCZGCEANEDM-BXUZGUMPSA-N 1 0 277.389 3.146 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](CO)c2ccsc2)c1 ZINC000769989793 627595733 /nfs/dbraw/zinc/59/57/33/627595733.db2.gz QIVCJBPVEUSATN-SMDDNHRTSA-N 1 0 277.389 3.146 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000770371939 627615791 /nfs/dbraw/zinc/61/57/91/627615791.db2.gz CVUZBJLOOAXMHU-QWHCGFSZSA-N 1 0 295.810 3.294 20 10 CGCDRO Cc1cc(C[NH2+][C@@H](C)c2cncs2)ccc1N(C)C ZINC000772996592 627838797 /nfs/dbraw/zinc/83/87/97/627838797.db2.gz FOKOMDKSAWOWGV-LBPRGKRZSA-N 1 0 275.421 3.368 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc[nH]1)c1ccc(N(C)C)cc1 ZINC000773113973 627857882 /nfs/dbraw/zinc/85/78/82/627857882.db2.gz BYDJQHNFFKJSTR-OLZOCXBDSA-N 1 0 257.381 3.493 20 10 CGCDRO CCN(C)c1ccc(C[N@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000773756975 627911161 /nfs/dbraw/zinc/91/11/61/627911161.db2.gz XYFBWJHFDJQQLW-MAUKXSAKSA-N 1 0 289.467 3.057 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@](CC)(CO)C2)cc1 ZINC000773862880 627920928 /nfs/dbraw/zinc/92/09/28/627920928.db2.gz KGHKMBLRGGPOJV-SFHVURJKSA-N 1 0 290.451 3.127 20 10 CGCDRO Cc1ccc(O)c(C[N@H+](C)Cc2cc(C(C)(C)C)n[nH]2)c1 ZINC000775203261 628071750 /nfs/dbraw/zinc/07/17/50/628071750.db2.gz BVXCHIOBHSHWMU-UHFFFAOYSA-N 1 0 287.407 3.353 20 10 CGCDRO CC[C@@H]([NH2+]CCN(CC)CC)c1cc(Cl)ccc1O ZINC000775483241 628099045 /nfs/dbraw/zinc/09/90/45/628099045.db2.gz QLLHQDKKZZVVRW-CQSZACIVSA-N 1 0 284.831 3.428 20 10 CGCDRO CC[C@H]([NH2+]C[C@H](O)c1ccco1)c1cc(Cl)ccc1O ZINC000775487719 628099741 /nfs/dbraw/zinc/09/97/41/628099741.db2.gz NXYWTQDVMPNUHZ-JSGCOSHPSA-N 1 0 295.766 3.413 20 10 CGCDRO CC[C@H]([NH2+][C@@H](CO)c1ccccc1C)c1ccccc1O ZINC000775514075 628102454 /nfs/dbraw/zinc/10/24/54/628102454.db2.gz VFQGORLVDGSRLJ-IRXDYDNUSA-N 1 0 285.387 3.475 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1[C@H](C)[C@H](OC)C1(C)C)c1ccccc1O ZINC000775532838 628104179 /nfs/dbraw/zinc/10/41/79/628104179.db2.gz ZKDQUMPHHGRLMH-YUDUHTQSSA-N 1 0 277.408 3.492 20 10 CGCDRO CC[C@H]([NH2+]Cc1c[nH]nc1C)c1cc(Cl)ccc1O ZINC000775527927 628104351 /nfs/dbraw/zinc/10/43/51/628104351.db2.gz WIHKYLGAQBTNDT-ZDUSSCGKSA-N 1 0 279.771 3.318 20 10 CGCDRO CC[C@@H]([NH2+]C1COC(C)(C)OC1)c1cc(Cl)ccc1O ZINC000775552825 628105643 /nfs/dbraw/zinc/10/56/43/628105643.db2.gz XHIPKDZFUMKURK-CYBMUJFWSA-N 1 0 299.798 3.238 20 10 CGCDRO Cc1cccc(C[N@@H+](Cc2ccccc2)C[C@@H](C)O)c1O ZINC000775658917 628121052 /nfs/dbraw/zinc/12/10/52/628121052.db2.gz SAPXCXCYCQEXFS-OAHLLOKOSA-N 1 0 285.387 3.084 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]CCOc1cccc(F)c1 ZINC000776036926 628160588 /nfs/dbraw/zinc/16/05/88/628160588.db2.gz BUDSVEWIZCAMRZ-UHFFFAOYSA-N 1 0 295.741 3.353 20 10 CGCDRO COc1ccc(C2([NH2+]Cc3cc(OC)ccc3O)CC2)cc1 ZINC000776168004 628174745 /nfs/dbraw/zinc/17/47/45/628174745.db2.gz IRPHAUGRAXWSFT-UHFFFAOYSA-N 1 0 299.370 3.188 20 10 CGCDRO CO[C@@H](C[NH2+]Cc1cc(Cl)cc(C)c1O)C(C)C ZINC000776219805 628182492 /nfs/dbraw/zinc/18/24/92/628182492.db2.gz HOZOHVYEKLBKAF-ZDUSSCGKSA-N 1 0 271.788 3.115 20 10 CGCDRO COc1ccc(O)c(C[NH2+]CC(C)(C)[C@@H]2CCCCO2)c1 ZINC000776249927 628184507 /nfs/dbraw/zinc/18/45/07/628184507.db2.gz ZUZPVYODKJWOBK-INIZCTEOSA-N 1 0 293.407 3.086 20 10 CGCDRO C[N@@H+](Cc1c(O)cccc1Cl)C[C@@H]1CCCC[C@@H]1O ZINC000779152508 628391000 /nfs/dbraw/zinc/39/10/00/628391000.db2.gz BBSJGTUWQZBJJG-FZMZJTMJSA-N 1 0 283.799 3.029 20 10 CGCDRO Cc1cc(Br)cc(C[N@H+]2CC=CCC2)c1O ZINC000779160094 628391538 /nfs/dbraw/zinc/39/15/38/628391538.db2.gz UIGFKESNEPVLFR-UHFFFAOYSA-N 1 0 282.181 3.225 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)CC2(O)CCCCCC2)cc1 ZINC000779203783 628394401 /nfs/dbraw/zinc/39/44/01/628394401.db2.gz JVVYXJIGXPEZSK-UHFFFAOYSA-N 1 0 290.451 3.270 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](C)C3(CCC3)C2)c1 ZINC000779603836 628418036 /nfs/dbraw/zinc/41/80/36/628418036.db2.gz DZFQYCXIOSDFFG-ZDUSSCGKSA-N 1 0 275.392 3.413 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CC2(N(C)C)CCC2)cc1 ZINC000783314700 628702903 /nfs/dbraw/zinc/70/29/03/628702903.db2.gz PQYZSEKAOLUFFM-OAHLLOKOSA-N 1 0 289.467 3.278 20 10 CGCDRO CC[C@H](C)CN(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000783668198 628737026 /nfs/dbraw/zinc/73/70/26/628737026.db2.gz NUXAOUWBTPEFNJ-AWEZNQCLSA-N 1 0 264.413 3.109 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CC[C@@H]2CCOC2)cc1F ZINC000784659990 628827615 /nfs/dbraw/zinc/82/76/15/628827615.db2.gz YVHMUHXUTSOWEW-CQSZACIVSA-N 1 0 294.414 3.188 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C(C)(C)C2CCOCC2)cc1C ZINC000785600971 628873621 /nfs/dbraw/zinc/87/36/21/628873621.db2.gz FYQSRGPQLVHQSJ-UHFFFAOYSA-N 1 0 277.408 3.304 20 10 CGCDRO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000786821608 628965079 /nfs/dbraw/zinc/96/50/79/628965079.db2.gz MPFZFCBDNCFALH-KUHUBIRLSA-N 1 0 297.398 3.487 20 10 CGCDRO OCC1(C[NH2+]Cc2cc(Cl)ccc2O)CC2(CCC2)C1 ZINC000788529597 629062526 /nfs/dbraw/zinc/06/25/26/629062526.db2.gz OOIGUDZZVNPMMX-UHFFFAOYSA-N 1 0 295.810 3.078 20 10 CGCDRO CCCCN(C)CC[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000788594557 629067338 /nfs/dbraw/zinc/06/73/38/629067338.db2.gz WERKKIPCVDYINR-HNNXBMFYSA-N 1 0 278.440 3.392 20 10 CGCDRO CCC(CC)(CO)C[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000788673783 629072045 /nfs/dbraw/zinc/07/20/45/629072045.db2.gz XZVJTLISNRHJDH-CQSZACIVSA-N 1 0 279.424 3.458 20 10 CGCDRO C[C@H]([NH2+][C@@H](C)c1ccc2ccccc2c1O)c1ncnn1C ZINC000788983252 629093748 /nfs/dbraw/zinc/09/37/48/629093748.db2.gz KYYZRRZIRLPASY-RYUDHWBXSA-N 1 0 296.374 3.086 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2N(C)CCCC2(C)C)c1 ZINC000790498878 629213789 /nfs/dbraw/zinc/21/37/89/629213789.db2.gz VCMBNVXYACZISC-YOEHRIQHSA-N 1 0 290.451 3.472 20 10 CGCDRO C[N@H+](CCC1CC1)Cc1c(O)cccc1Br ZINC000862253731 629331346 /nfs/dbraw/zinc/33/13/46/629331346.db2.gz RAWLEWWFUGDYPN-UHFFFAOYSA-N 1 0 284.197 3.387 20 10 CGCDRO CN1CCCc2cc(C[NH2+]Cc3cnc(C4CC4)o3)ccc21 ZINC000862275468 629336612 /nfs/dbraw/zinc/33/66/12/629336612.db2.gz VNOMOAWFXRKSJD-UHFFFAOYSA-N 1 0 297.402 3.224 20 10 CGCDRO COc1cccc(C[NH+]2C[C@@H](C)C(F)(F)[C@H](C)C2)c1O ZINC000862444261 629377159 /nfs/dbraw/zinc/37/71/59/629377159.db2.gz UEDWPGCFTBDDOU-GHMZBOCLSA-N 1 0 285.334 3.124 20 10 CGCDRO CCc1cccc(C[NH2+]Cc2cc(C)ccc2O)c1O ZINC000862478876 629384927 /nfs/dbraw/zinc/38/49/27/629384927.db2.gz UQVJFTCDISMBKN-UHFFFAOYSA-N 1 0 271.360 3.258 20 10 CGCDRO OC[C@]12CCC[C@H]1C[N@H+](Cc1ccc3ccccc3c1O)C2 ZINC000862528931 629391235 /nfs/dbraw/zinc/39/12/35/629391235.db2.gz MDEJPXGQVHBBHX-QFBILLFUSA-N 1 0 297.398 3.140 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CCc3c(O)cccc3C2)c(O)c1 ZINC000862530307 629392935 /nfs/dbraw/zinc/39/29/35/629392935.db2.gz ZGLDGLZCYAOXMD-UHFFFAOYSA-N 1 0 299.370 3.055 20 10 CGCDRO Oc1ccccc1C[NH+]1CC(Cc2cccs2)C1 ZINC000862539443 629394177 /nfs/dbraw/zinc/39/41/77/629394177.db2.gz ZAMZGCHFCSQORB-UHFFFAOYSA-N 1 0 259.374 3.128 20 10 CGCDRO CO[C@H]1CCC[C@H]([NH2+]Cc2ccc(N(C)C)cc2C)C1 ZINC000792976947 629398590 /nfs/dbraw/zinc/39/85/90/629398590.db2.gz GWRRXBHPGKJHDP-RDJZCZTQSA-N 1 0 276.424 3.108 20 10 CGCDRO Cc1ccc(O)c(C[N@H+]2CC[C@H](C(F)(F)F)[C@H]2C)c1 ZINC000793230947 629433275 /nfs/dbraw/zinc/43/32/75/629433275.db2.gz IVJYURNYUYKVGP-PWSUYJOCSA-N 1 0 273.298 3.473 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H]2C(C)C)c(O)c1 ZINC000793389463 629452930 /nfs/dbraw/zinc/45/29/30/629452930.db2.gz YWGHJQNRIAAISI-LSDHHAIUSA-N 1 0 263.381 3.315 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2CCC[C@@H]2C(C)C)c(O)c1 ZINC000793389458 629453168 /nfs/dbraw/zinc/45/31/68/629453168.db2.gz YWGHJQNRIAAISI-CABCVRRESA-N 1 0 263.381 3.315 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2CC(C)(C)C[C@@H]2C)c(O)c1 ZINC000793389657 629453475 /nfs/dbraw/zinc/45/34/75/629453475.db2.gz LMVLLLZPFMCIPZ-FZMZJTMJSA-N 1 0 263.381 3.315 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CS[C@@H](C(C)(C)C)C2)c(O)c1 ZINC000793389651 629453891 /nfs/dbraw/zinc/45/38/91/629453891.db2.gz LKMLWKVNSFEBDI-SWLSCSKDSA-N 1 0 295.448 3.411 20 10 CGCDRO COc1ccc(N2CCC([NH2+][C@H]3CCC3(C)C)CC2)cc1 ZINC000793527442 629475748 /nfs/dbraw/zinc/47/57/48/629475748.db2.gz QNSIFZBSUWAOSI-KRWDZBQOSA-N 1 0 288.435 3.442 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)c1 ZINC000863294682 629526968 /nfs/dbraw/zinc/52/69/68/629526968.db2.gz BFOCJEOICDBFHS-CABCVRRESA-N 1 0 277.433 3.479 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@]1(C)CCOC1)c1ccc(C)cc1O ZINC000794803619 629579261 /nfs/dbraw/zinc/57/92/61/629579261.db2.gz BPOIFHPVIKXUPO-GDBMZVCRSA-N 1 0 263.381 3.168 20 10 CGCDRO CC[C@@H]([NH2+]CC1(O)CCCCC1)c1ccc(C)cc1O ZINC000794802546 629579272 /nfs/dbraw/zinc/57/92/72/629579272.db2.gz FZKHMLHVPRLTCR-OAHLLOKOSA-N 1 0 277.408 3.437 20 10 CGCDRO CC[C@@H]([NH2+][C@H](C)Cc1cnccn1)c1ccc(C)cc1O ZINC000794802051 629579564 /nfs/dbraw/zinc/57/95/64/629579564.db2.gz CEKXZGBJYITTFH-CZUORRHYSA-N 1 0 285.391 3.163 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@]1(C)CCCO1)c1ccc(C)cc1O ZINC000794811600 629580543 /nfs/dbraw/zinc/58/05/43/629580543.db2.gz SBOJURACTYKKOL-GDBMZVCRSA-N 1 0 263.381 3.310 20 10 CGCDRO CC[C@@H]([NH2+]CC1(OC)CCC1)c1ccc(C)cc1O ZINC000794817996 629580996 /nfs/dbraw/zinc/58/09/96/629580996.db2.gz PKSSNSAFHYMARS-CQSZACIVSA-N 1 0 263.381 3.310 20 10 CGCDRO CCN(CC)[C@H](C)C[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000794828523 629583467 /nfs/dbraw/zinc/58/34/67/629583467.db2.gz BMDQYNILCXABFO-VXGBXAGGSA-N 1 0 284.831 3.427 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cccnc2F)c1 ZINC000794833673 629584610 /nfs/dbraw/zinc/58/46/10/629584610.db2.gz KJRIDWIQNQUIAG-LLVKDONJSA-N 1 0 260.312 3.086 20 10 CGCDRO CC[C@@H](N[C@@H]1CC[NH2+]C12CCC2)c1ccc(N(C)C)cc1 ZINC000863540891 629600885 /nfs/dbraw/zinc/60/08/85/629600885.db2.gz FNBXCKSOWWCXPD-IAGOWNOFSA-N 1 0 287.451 3.078 20 10 CGCDRO CCc1cccc(C[NH2+][C@H](C2CCC2)[C@@H]2CCCO2)c1O ZINC000864052236 629747453 /nfs/dbraw/zinc/74/74/53/629747453.db2.gz FSQHZJOBKHESAK-DLBZAZTESA-N 1 0 289.419 3.392 20 10 CGCDRO CCOc1cccc(C[NH2+]CCC2=CCCC2)c1O ZINC000120137314 629875032 /nfs/dbraw/zinc/87/50/32/629875032.db2.gz GFFMUVDIUBQKKE-UHFFFAOYSA-N 1 0 261.365 3.381 20 10 CGCDRO COc1ccc(C[NH2+]C[C@@H](CO)CC2CCCC2)cc1C ZINC000798503015 630060529 /nfs/dbraw/zinc/06/05/29/630060529.db2.gz ASIYQCLFZUYCIU-KRWDZBQOSA-N 1 0 291.435 3.282 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2cc(F)ccc2N(C)C)c1 ZINC000865640908 630243431 /nfs/dbraw/zinc/24/34/31/630243431.db2.gz QSEFPAXPSOLGAF-UHFFFAOYSA-N 1 0 288.366 3.196 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+]CC[C@H]2CCSC2)cc1 ZINC000865651900 630252571 /nfs/dbraw/zinc/25/25/71/630252571.db2.gz IVSQSNWQYKHNPQ-QGZUEGPWSA-N 1 0 290.476 3.499 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCCC23CC3)c1 ZINC000865655453 630256963 /nfs/dbraw/zinc/25/69/63/630256963.db2.gz BDRICICGLOKVKB-HNNXBMFYSA-N 1 0 261.365 3.213 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000800971269 630314859 /nfs/dbraw/zinc/31/48/59/630314859.db2.gz IDESVDIWLZRXAZ-XKQJLSEDSA-N 1 0 258.409 3.339 20 10 CGCDRO CCCC[N@H+](Cc1cnc(C)nc1)Cc1ccccc1O ZINC000801595594 630346426 /nfs/dbraw/zinc/34/64/26/630346426.db2.gz PAXDAZGVGCWKKK-UHFFFAOYSA-N 1 0 285.391 3.293 20 10 CGCDRO CCOc1ccc(C[NH2+]Cc2cccc(F)c2F)c(O)c1 ZINC000865676683 630347312 /nfs/dbraw/zinc/34/73/12/630347312.db2.gz NEFJGFDEBMCGKG-UHFFFAOYSA-N 1 0 293.313 3.359 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]CCC2C[C@@H](C)O[C@H](C)C2)c1 ZINC000801732358 630353689 /nfs/dbraw/zinc/35/36/89/630353689.db2.gz HRHKGPVAYLNNNA-ZIAGYGMSSA-N 1 0 277.408 3.384 20 10 CGCDRO Cc1cccc(C[NH2+]CC(C)(C)C(F)(F)F)c1O ZINC000802652335 630402640 /nfs/dbraw/zinc/40/26/40/630402640.db2.gz DUGKZSBIRPUAQK-UHFFFAOYSA-N 1 0 261.287 3.379 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000806141970 630548276 /nfs/dbraw/zinc/54/82/76/630548276.db2.gz XMGHXUSYVSNTML-IAGOWNOFSA-N 1 0 258.409 3.339 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H](CO)C(C)C)cc1 ZINC000806169091 630552474 /nfs/dbraw/zinc/55/24/74/630552474.db2.gz IBMIFVVXIIRFJH-GDBMZVCRSA-N 1 0 278.440 3.058 20 10 CGCDRO CCN(CC)CC[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808672203 630662423 /nfs/dbraw/zinc/66/24/23/630662423.db2.gz GKNNFRMUFWFVJE-LBPRGKRZSA-N 1 0 284.831 3.346 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](C2CC2)N(C)C)c1O ZINC000808678432 630663586 /nfs/dbraw/zinc/66/35/86/630663586.db2.gz REOFWNDFYLXGOL-ABAIWWIYSA-N 1 0 296.842 3.345 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@](C)(O)C(C)C)c1O ZINC000808694267 630665261 /nfs/dbraw/zinc/66/52/61/630665261.db2.gz BLOFJIJLTYTSNO-NHYWBVRUSA-N 1 0 285.815 3.412 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](CCO)C(C)C)c1O ZINC000808699458 630666337 /nfs/dbraw/zinc/66/63/37/630666337.db2.gz HHMHAXRECTVIHL-SMDDNHRTSA-N 1 0 285.815 3.412 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCN(C)[C@@H](C)C2)c1O ZINC000808698965 630666384 /nfs/dbraw/zinc/66/63/84/630666384.db2.gz OIOWOEUNNFHURP-SGMGOOAPSA-N 1 0 296.842 3.487 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCN2CCC[C@@H]2C)c1O ZINC000808698790 630666424 /nfs/dbraw/zinc/66/64/24/630666424.db2.gz VMLLHKFVVCFWSF-QWHCGFSZSA-N 1 0 296.842 3.489 20 10 CGCDRO COC(C)(C)C[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808703270 630667249 /nfs/dbraw/zinc/66/72/49/630667249.db2.gz VNAWOAJTSCTTAJ-SNVBAGLBSA-N 1 0 271.788 3.430 20 10 CGCDRO COCC1([NH2+][C@H](C)c2cc(Cl)cc(C)c2O)CC1 ZINC000808711929 630668862 /nfs/dbraw/zinc/66/88/62/630668862.db2.gz WLPRLFZSIXLFOO-SNVBAGLBSA-N 1 0 269.772 3.184 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H](C2CCC2)[C@H]2CCCO2)c1 ZINC000865736788 630675874 /nfs/dbraw/zinc/67/58/74/630675874.db2.gz NIUBICAYQBGCLI-IAGOWNOFSA-N 1 0 275.392 3.138 20 10 CGCDRO CC[C@@H](CO)[N@H+](Cc1ccccc1)Cc1cccc(C)c1O ZINC000809644429 630773252 /nfs/dbraw/zinc/77/32/52/630773252.db2.gz ZCNCNPAEGFKLGQ-SFHVURJKSA-N 1 0 299.414 3.474 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000809728674 630793572 /nfs/dbraw/zinc/79/35/72/630793572.db2.gz FHSVHQOVUQHJIY-OAHLLOKOSA-N 1 0 284.359 3.133 20 10 CGCDRO Cc1ccc(O)c(C[NH+]2CCC(c3cccnc3)CC2)c1 ZINC000809737964 630795397 /nfs/dbraw/zinc/79/53/97/630795397.db2.gz NKKQKNWDMCKGTD-UHFFFAOYSA-N 1 0 282.387 3.475 20 10 CGCDRO COCC1(C[NH2+]Cc2ccc(N(C)C)cc2)CCCCC1 ZINC000810178127 630850958 /nfs/dbraw/zinc/85/09/58/630850958.db2.gz ORYDRRDYQFMWEA-UHFFFAOYSA-N 1 0 290.451 3.439 20 10 CGCDRO CC[C@H]([NH2+]Cc1cc[nH]n1)c1ccc(C(F)(F)F)cc1O ZINC000810217082 630855273 /nfs/dbraw/zinc/85/52/73/630855273.db2.gz VXCJVKFFQZWPIL-LBPRGKRZSA-N 1 0 299.296 3.375 20 10 CGCDRO CCCCN(C)C[C@@H](C)[NH2+][C@H](C)c1ccc(C)cc1O ZINC000810244869 630858965 /nfs/dbraw/zinc/85/89/65/630858965.db2.gz JEVCYNIQCNXNHF-HUUCEWRRSA-N 1 0 278.440 3.472 20 10 CGCDRO CC(C)N(C)C[C@@H](C)[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000810253685 630860170 /nfs/dbraw/zinc/86/01/70/630860170.db2.gz AFQIQOPFFVJMHE-OUCADQQQSA-N 1 0 294.414 3.398 20 10 CGCDRO CC1(C)C[N@H+](Cc2cc(Cl)ccc2O)[C@@H]1[C@H]1CCCO1 ZINC000811510323 631078038 /nfs/dbraw/zinc/07/80/38/631078038.db2.gz CENWMUDWTHOCQU-HUUCEWRRSA-N 1 0 295.810 3.435 20 10 CGCDRO CCCC[N@H+](CC)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876527580 634850664 /nfs/dbraw/zinc/85/06/64/634850664.db2.gz BBOJWQKRSSICAA-UHFFFAOYSA-N 1 0 290.451 3.270 20 10 CGCDRO COc1ccsc1C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000813332072 631410344 /nfs/dbraw/zinc/41/03/44/631410344.db2.gz ZNLWPZYEMOWLBJ-SNVBAGLBSA-N 1 0 293.388 3.322 20 10 CGCDRO Cc1cc(C[N@H+]2C[C@H](C)O[C@@H](C3CC3)C2)ccc1N(C)C ZINC000815102201 631717713 /nfs/dbraw/zinc/71/77/13/631717713.db2.gz HEPMETZQIIASQG-KBXCAEBGSA-N 1 0 288.435 3.060 20 10 CGCDRO CCC(CC)(CCO)[NH2+]Cc1ccc(N(C)C)c(C)c1 ZINC000815112373 631718910 /nfs/dbraw/zinc/71/89/10/631718910.db2.gz PMGJHEIENPQRGN-UHFFFAOYSA-N 1 0 278.440 3.092 20 10 CGCDRO Cc1cc(C[N@@H+]2CC[C@H](c3ccccn3)C2)ccc1N(C)C ZINC000815107951 631718916 /nfs/dbraw/zinc/71/89/16/631718916.db2.gz PQWCNHYWFMTZGO-KRWDZBQOSA-N 1 0 295.430 3.446 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@H](OC)C[C@H]2C)cc1 ZINC000815107953 631719303 /nfs/dbraw/zinc/71/93/03/631719303.db2.gz PTIQVKBVZHPGNQ-PBHICJAKSA-N 1 0 276.424 3.142 20 10 CGCDRO CC[C@@H]1C[N@H+](Cc2ccc(N(C)C)c(C)c2)CCCO1 ZINC000815108145 631719345 /nfs/dbraw/zinc/71/93/45/631719345.db2.gz RMUVLENYBCPNBU-MRXNPFEDSA-N 1 0 276.424 3.062 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](OC)C2CC2)cc1F ZINC000815153034 631731792 /nfs/dbraw/zinc/73/17/92/631731792.db2.gz FWODVHPTUMANOB-QGZVFWFLSA-N 1 0 294.414 3.187 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCc2ccco2)c(O)c1 ZINC000815553650 631793598 /nfs/dbraw/zinc/79/35/98/631793598.db2.gz GPUTUTGWWQGOJZ-ZDUSSCGKSA-N 1 0 259.349 3.495 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@]2(C)CCOC2)c(O)c1 ZINC000815579716 631799144 /nfs/dbraw/zinc/79/91/44/631799144.db2.gz SPSBTFSGNQUORE-CZUORRHYSA-N 1 0 263.381 3.086 20 10 CGCDRO CO[C@@H](C[NH2+][C@H](C)c1cc(Cl)cc(C)c1O)C1CC1 ZINC000815651345 631812842 /nfs/dbraw/zinc/81/28/42/631812842.db2.gz QITSCNGXKVZPKF-YGRLFVJLSA-N 1 0 283.799 3.430 20 10 CGCDRO Oc1c(C[N@@H+]2CC[C@]3(CCOC3)C2)ccc2ccccc21 ZINC000816518958 632001829 /nfs/dbraw/zinc/00/18/29/632001829.db2.gz SZXHLJCIWFZMQW-SFHVURJKSA-N 1 0 283.371 3.158 20 10 CGCDRO Oc1c(C[N@@H+]2CC[C@@]3(CCOC3)C2)ccc2ccccc21 ZINC000816518957 632003131 /nfs/dbraw/zinc/00/31/31/632003131.db2.gz SZXHLJCIWFZMQW-GOSISDBHSA-N 1 0 283.371 3.158 20 10 CGCDRO Oc1c(C[NH2+]CCOCC(F)(F)F)ccc2ccccc21 ZINC000816531421 632004838 /nfs/dbraw/zinc/00/48/38/632004838.db2.gz QYTXXOZAWJMMKJ-UHFFFAOYSA-N 1 0 299.292 3.214 20 10 CGCDRO Oc1c(C[NH2+]CCCCn2ccnc2)ccc2ccccc21 ZINC000816537897 632005321 /nfs/dbraw/zinc/00/53/21/632005321.db2.gz XMDBXPPDHJOIFF-UHFFFAOYSA-N 1 0 295.386 3.312 20 10 CGCDRO Oc1c(C[NH2+]C[C@H]2CCCOC2)ccc2ccccc21 ZINC000816536732 632006038 /nfs/dbraw/zinc/00/60/38/632006038.db2.gz IIBKUDUOZCSPFZ-CYBMUJFWSA-N 1 0 271.360 3.062 20 10 CGCDRO CC[C@@H](C)N(C)CC[NH2+]Cc1ccc2ccccc2c1O ZINC000816545903 632007040 /nfs/dbraw/zinc/00/70/40/632007040.db2.gz MVUQYOCBZOTPIW-CQSZACIVSA-N 1 0 286.419 3.365 20 10 CGCDRO Oc1c(C[NH2+][C@H]2CCN(CC3CC3)C2)ccc2ccccc21 ZINC000816549302 632008926 /nfs/dbraw/zinc/00/89/26/632008926.db2.gz JVTMRZXCQQPMQW-KRWDZBQOSA-N 1 0 296.414 3.119 20 10 CGCDRO Oc1c(C[N@@H+]2CC[C@@H](n3cccn3)C2)ccc2ccccc21 ZINC000816617423 632024088 /nfs/dbraw/zinc/02/40/88/632024088.db2.gz YTLDGKCPYBKAFE-MRXNPFEDSA-N 1 0 293.370 3.189 20 10 CGCDRO CC[C@@H]1C[C@@H]([NH2+]Cc2cc(C)c(C)cc2O)CCO1 ZINC000817415746 632146928 /nfs/dbraw/zinc/14/69/28/632146928.db2.gz XUSKRUGLHSTIOS-LSDHHAIUSA-N 1 0 263.381 3.056 20 10 CGCDRO Cc1ccc([C@H](C)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)o1 ZINC000817938689 632239456 /nfs/dbraw/zinc/23/94/56/632239456.db2.gz PUWDELWFIJWUSM-XJKSGUPXSA-N 1 0 287.407 3.005 20 10 CGCDRO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000817941493 632240925 /nfs/dbraw/zinc/24/09/25/632240925.db2.gz KCSSIZRMTDLHOW-COXVUDFISA-N 1 0 289.467 3.167 20 10 CGCDRO CC[C@H]([NH2+]CCCNCc1cccnc1)c1ccccc1O ZINC000817941308 632241190 /nfs/dbraw/zinc/24/11/90/632241190.db2.gz RWONJMXENFTXRG-KRWDZBQOSA-N 1 0 299.418 3.008 20 10 CGCDRO Oc1ccccc1[C@@H](CCc1ccccc1)N[C@H]1CC[NH2+]C1 ZINC000817944623 632241653 /nfs/dbraw/zinc/24/16/53/632241653.db2.gz IKYUPIZZHKIBIL-FUHWJXTLSA-N 1 0 296.414 3.018 20 10 CGCDRO C[C@@H](NC[C@@H]1CCCC[NH2+]1)c1ccc2ccccc2c1O ZINC000817948808 632245222 /nfs/dbraw/zinc/24/52/22/632245222.db2.gz DLKZSGJSONAKGM-HIFRSBDPSA-N 1 0 284.403 3.338 20 10 CGCDRO COc1ccccc1[C@@H](C)[NH2+]CCc1ccc(N)cc1 ZINC000817955770 632251059 /nfs/dbraw/zinc/25/10/59/632251059.db2.gz HJQMZCVMCJMNEK-CYBMUJFWSA-N 1 0 270.376 3.171 20 10 CGCDRO C[C@H]([NH2+]CCc1ccc(N)cc1)c1ccccc1F ZINC000817955995 632251170 /nfs/dbraw/zinc/25/11/70/632251170.db2.gz NDXFHQDSLDVCKA-LBPRGKRZSA-N 1 0 258.340 3.301 20 10 CGCDRO CCCCO[C@@H]1C[C@@H]([NH2+]CCc2ccc(N)cc2)C1(C)C ZINC000817956734 632251846 /nfs/dbraw/zinc/25/18/46/632251846.db2.gz BMHVMJJAQQVPQF-IAGOWNOFSA-N 1 0 290.451 3.385 20 10 CGCDRO Nc1ccc(CC[NH2+][C@H](Cc2ccccc2)C2CC2)cc1 ZINC000817956407 632252475 /nfs/dbraw/zinc/25/24/75/632252475.db2.gz YIJCNMKCDZGWMJ-LJQANCHMSA-N 1 0 280.415 3.422 20 10 CGCDRO Nc1ccc(CC[NH2+][C@H](c2ncc[nH]2)C2CCCCC2)cc1 ZINC000817958152 632253352 /nfs/dbraw/zinc/25/33/52/632253352.db2.gz SLBBXPHZKJLLEP-KRWDZBQOSA-N 1 0 298.434 3.446 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](CN)CC(C)C)c(O)c1C ZINC000817958974 632254662 /nfs/dbraw/zinc/25/46/62/632254662.db2.gz NVOPHVCXGIIONT-ZIAGYGMSSA-N 1 0 264.413 3.033 20 10 CGCDRO CC(C)C[C@H](CN)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000817958741 632255017 /nfs/dbraw/zinc/25/50/17/632255017.db2.gz MDDYBSHJOKHUNA-XJKSGUPXSA-N 1 0 290.451 3.295 20 10 CGCDRO CC[C@@H]([NH2+][C@H](CN)CC(C)C)c1ccc(C)cc1O ZINC000817959726 632255219 /nfs/dbraw/zinc/25/52/19/632255219.db2.gz UVVNLDZKFOUWQL-DZGCQCFKSA-N 1 0 264.413 3.115 20 10 CGCDRO C[C@H]([NH2+]CC1([NH3+])CCC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817964425 632259212 /nfs/dbraw/zinc/25/92/12/632259212.db2.gz CFZVVADEZULGNN-QMMMGPOBSA-N 1 0 289.206 3.231 20 10 CGCDRO C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817965888 632260668 /nfs/dbraw/zinc/26/06/68/632260668.db2.gz WTGHCMURJYXVIU-CPCISQLKSA-N 1 0 289.206 3.087 20 10 CGCDRO Cc1cc(N)cc(C[NH2+][C@@H](C)c2ccccc2O)c1 ZINC000817981069 632271214 /nfs/dbraw/zinc/27/12/14/632271214.db2.gz PQJMVCVINOJFMN-LBPRGKRZSA-N 1 0 256.349 3.134 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1cccc(Cl)c1[O-] ZINC000817982427 632272739 /nfs/dbraw/zinc/27/27/39/632272739.db2.gz SCYRMWXAWCPTGW-SUNKGSAMSA-N 1 0 282.815 3.214 20 10 CGCDRO C[C@H](N[C@H]1CCCC[NH2+]C1)c1cc2c(cc1O)CCCC2 ZINC000817983903 632272847 /nfs/dbraw/zinc/27/28/47/632272847.db2.gz LCJIODJEOKTCJO-BBRMVZONSA-N 1 0 288.435 3.064 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2C[C@H]2C2CCC2)c1 ZINC000818346515 632312087 /nfs/dbraw/zinc/31/20/87/632312087.db2.gz TVPKHWNQXSKMGT-FFSVYQOJSA-N 1 0 275.392 3.488 20 10 CGCDRO COc1ccc(N2CC[C@H](CNc3cccc(C)[nH+]3)C2)cc1 ZINC000819933918 632540503 /nfs/dbraw/zinc/54/05/03/632540503.db2.gz ANCWSXLCRSPDNI-OAHLLOKOSA-N 1 0 297.402 3.337 20 10 CGCDRO c1cc(C[NH2+]C2([C@H]3CCCCO3)CCC2)cc2c1OCC2 ZINC000865857770 632921810 /nfs/dbraw/zinc/92/18/10/632921810.db2.gz UIDJBORRLIFYNX-QGZVFWFLSA-N 1 0 287.403 3.203 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2C[C@H]2C(F)(F)F)c1O ZINC000866500975 633162490 /nfs/dbraw/zinc/16/24/90/633162490.db2.gz WSSZSMNLBRNOJY-FXBDTBDDSA-N 1 0 275.270 3.002 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](C)c1ccnn1C)c1ccc(N(C)C)cc1 ZINC000866612382 633212137 /nfs/dbraw/zinc/21/21/37/633212137.db2.gz HPJZEGFWQXFJTD-XJKSGUPXSA-N 1 0 286.423 3.288 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F)c1ccnn1C ZINC000866614247 633214973 /nfs/dbraw/zinc/21/49/73/633214973.db2.gz LVWLVUQSYZHXJO-CKYFFXLPSA-N 1 0 289.354 3.164 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]C1([C@@H]3CCCCO3)CCC1)CC2 ZINC000866622551 633219225 /nfs/dbraw/zinc/21/92/25/633219225.db2.gz GJZFVIDSFMMVSF-ZBFHGGJFSA-N 1 0 287.403 3.461 20 10 CGCDRO Cc1cc(O)c(C[NH+]2C3CCC2CC3)cc1Cl ZINC000824548872 633258270 /nfs/dbraw/zinc/25/82/70/633258270.db2.gz TTZANGPDCUUUOV-UHFFFAOYSA-N 1 0 251.757 3.481 20 10 CGCDRO COC[C@]1(C)CC[N@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000824582594 633261831 /nfs/dbraw/zinc/26/18/31/633261831.db2.gz AUGSQHXBLOOQRA-OAHLLOKOSA-N 1 0 283.799 3.212 20 10 CGCDRO CS[C@@H]1CC[N@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000824683637 633272293 /nfs/dbraw/zinc/27/22/93/633272293.db2.gz SVGNSIZSQFBXSF-GFCCVEGCSA-N 1 0 271.813 3.291 20 10 CGCDRO C[C@]1(C[NH2+]Cc2cc(F)ccc2O)CC1(Cl)Cl ZINC000824775088 633288026 /nfs/dbraw/zinc/28/80/26/633288026.db2.gz YNYFNHLBRVYSMC-LLVKDONJSA-N 1 0 278.154 3.205 20 10 CGCDRO CC(C)[C@@H](CO)[C@H]([NH2+]Cc1ccc2c(c1)CCO2)C(C)C ZINC000824844929 633300282 /nfs/dbraw/zinc/30/02/82/633300282.db2.gz FUGRRGKYPGQZGJ-SJLPKXTDSA-N 1 0 291.435 3.000 20 10 CGCDRO Cc1cccc(C[N@@H+]2C[C@H](C3CC3)[C@H]2C2CC2)c1O ZINC000824941585 633308715 /nfs/dbraw/zinc/30/87/15/633308715.db2.gz PUZATDWHCQHUJA-HZPDHXFCSA-N 1 0 257.377 3.321 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)c1 ZINC000824954394 633309953 /nfs/dbraw/zinc/30/99/53/633309953.db2.gz PZSOFUOJOHAAQP-AEFFLSMTSA-N 1 0 298.386 3.106 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2O)c2nccn21 ZINC000825017514 633318269 /nfs/dbraw/zinc/31/82/69/633318269.db2.gz TVSJNYXYHGXITN-BXKDBHETSA-N 1 0 277.755 3.038 20 10 CGCDRO CCCc1ncc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)o1 ZINC000825085656 633326789 /nfs/dbraw/zinc/32/67/89/633326789.db2.gz LZYJOOODCWZTSI-NSHDSACASA-N 1 0 290.363 3.192 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@]3(CCSC3)C2)c1 ZINC000825214980 633336171 /nfs/dbraw/zinc/33/61/71/633336171.db2.gz CGQFOEZIBDELQB-MRXNPFEDSA-N 1 0 293.432 3.120 20 10 CGCDRO CCO[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000825290283 633342300 /nfs/dbraw/zinc/34/23/00/633342300.db2.gz SWNUWQSLXUTHRC-DJSGYFEHSA-N 1 0 279.380 3.009 20 10 CGCDRO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000825284604 633342660 /nfs/dbraw/zinc/34/26/60/633342660.db2.gz SIXAXXHJMSZVBZ-ZIAGYGMSSA-N 1 0 283.799 3.401 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cc1Cl ZINC000825304015 633343290 /nfs/dbraw/zinc/34/32/90/633343290.db2.gz PJCIWKHEFALPEK-NILFDRSVSA-N 1 0 295.810 3.257 20 10 CGCDRO CCCN(Cc1ccnn1CCC)c1ccc(C[NH3+])cc1 ZINC000825710336 633376204 /nfs/dbraw/zinc/37/62/04/633376204.db2.gz MEHQNDDNPDJPJB-UHFFFAOYSA-N 1 0 286.423 3.168 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCOC[C@@H]2C)cc1Cl ZINC000825893194 633387222 /nfs/dbraw/zinc/38/72/22/633387222.db2.gz RTLPXJPVVXBOFH-RYUDHWBXSA-N 1 0 283.799 3.116 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)CSCCF)c1 ZINC000825934398 633389565 /nfs/dbraw/zinc/38/95/65/633389565.db2.gz INTGCNRLEJPRBA-MNOVXSKESA-N 1 0 287.400 3.143 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H](C)c2cc[nH]c(=O)c2)cc1Cl ZINC000826011208 633396872 /nfs/dbraw/zinc/39/68/72/633396872.db2.gz BBYUUTAFDIYZCG-JTQLQIEISA-N 1 0 292.766 3.305 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2C[C@@H](C)n3ccnc32)cc1Cl ZINC000826083843 633404044 /nfs/dbraw/zinc/40/40/44/633404044.db2.gz NIZPHPVPKWTWLL-ZWNOBZJWSA-N 1 0 291.782 3.346 20 10 CGCDRO CCC(O)(CC)C(C)(C)C[NH2+]Cc1cc(OC)ccc1O ZINC000826904262 633442229 /nfs/dbraw/zinc/44/22/29/633442229.db2.gz YOCKIWCMWJDJFH-UHFFFAOYSA-N 1 0 295.423 3.068 20 10 CGCDRO Cc1cc(O)c(C[N@H+](C)CC2=CCCOC2)cc1Cl ZINC000827189761 633469495 /nfs/dbraw/zinc/46/94/95/633469495.db2.gz NQEHVGRITSOPPD-UHFFFAOYSA-N 1 0 281.783 3.133 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCC[C@H](C)O2)cc1Cl ZINC000827252042 633474957 /nfs/dbraw/zinc/47/49/57/633474957.db2.gz URKULTGOJJRORC-AAEUAGOBSA-N 1 0 283.799 3.401 20 10 CGCDRO Oc1c(C[NH2+]CC(O)(C2CC2)C2CC2)ccc2ccccc21 ZINC000827352421 633484580 /nfs/dbraw/zinc/48/45/80/633484580.db2.gz GZSDENNSGJBWSH-UHFFFAOYSA-N 1 0 297.398 3.186 20 10 CGCDRO CCc1cccc(C[NH2+]C2(COC)CCCCC2)c1O ZINC000827935230 633536885 /nfs/dbraw/zinc/53/68/85/633536885.db2.gz VODKFJZGJMNGIE-UHFFFAOYSA-N 1 0 277.408 3.394 20 10 CGCDRO Oc1ccccc1C[NH2+]CCC[C@H]1CC1(Cl)Cl ZINC000846103471 636143150 /nfs/dbraw/zinc/14/31/50/636143150.db2.gz YTAYYOHJVNCRSB-NSHDSACASA-N 1 0 274.191 3.456 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1)c1cc(F)ccc1O ZINC000872110010 634034217 /nfs/dbraw/zinc/03/42/17/634034217.db2.gz UZNBMXOHISFHIQ-DZJQYVJYSA-N 1 0 279.355 3.140 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1)c1ccc(N(C)C)cc1 ZINC000872109466 634034332 /nfs/dbraw/zinc/03/43/32/634034332.db2.gz NKNCMWBEFWCFSM-IKICRFKJSA-N 1 0 288.435 3.361 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCC2(CO)CCC2)c(O)c1C ZINC000846210764 636159606 /nfs/dbraw/zinc/15/96/06/636159606.db2.gz PKNRLGSPSZCLRR-CQSZACIVSA-N 1 0 277.408 3.212 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)[C@@H](O)c1ccccc1 ZINC000872132151 634054210 /nfs/dbraw/zinc/05/42/10/634054210.db2.gz FCAPVWBQQNZFKT-FCEWJHQRSA-N 1 0 297.398 3.481 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872261052 634093180 /nfs/dbraw/zinc/09/31/80/634093180.db2.gz YSEIIWAUFJOZQD-INIZCTEOSA-N 1 0 275.392 3.316 20 10 CGCDRO CC(C)Oc1ccc(C[NH2+][C@@H]2CCc3cccc(O)c32)cn1 ZINC000834513380 634174550 /nfs/dbraw/zinc/17/45/50/634174550.db2.gz LFSRIUOBJFNLAB-OAHLLOKOSA-N 1 0 298.386 3.352 20 10 CGCDRO Oc1ccc2ccncc2c1C[N@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000872712535 634193394 /nfs/dbraw/zinc/19/33/94/634193394.db2.gz RGZZOIFCUFJQMP-GASCZTMLSA-N 1 0 280.371 3.338 20 10 CGCDRO CCC1(O)CCC([NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000834630116 634202395 /nfs/dbraw/zinc/20/23/95/634202395.db2.gz VSOWEUWMTCXXCF-UUCFBXCCSA-N 1 0 275.392 3.053 20 10 CGCDRO CCOCCC1(C[NH2+][C@@H]2CCc3cccc(O)c32)CC1 ZINC000834690267 634220686 /nfs/dbraw/zinc/22/06/86/634220686.db2.gz ZYJBVTJCHWKKOH-CQSZACIVSA-N 1 0 275.392 3.176 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCc2cccc(O)c21)c1cncc(F)c1 ZINC000834761452 634237187 /nfs/dbraw/zinc/23/71/87/634237187.db2.gz QPJJVGWNHXEUGJ-HZMBPMFUSA-N 1 0 272.323 3.264 20 10 CGCDRO CCCOc1ccc(C[NH2+]Cc2cc(CC)n[nH]2)cc1C ZINC000873050409 634237568 /nfs/dbraw/zinc/23/75/68/634237568.db2.gz VWACXSCWRSSQTI-UHFFFAOYSA-N 1 0 287.407 3.359 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCn3ccnc32)c(O)c1C ZINC000834833273 634251684 /nfs/dbraw/zinc/25/16/84/634251684.db2.gz XMKQFIQETZMFKM-OCCSQVGLSA-N 1 0 271.364 3.001 20 10 CGCDRO CC[C@H]([NH2+]CC1=CCOCC1)c1ccc(C)cc1O ZINC000834860817 634258919 /nfs/dbraw/zinc/25/89/19/634258919.db2.gz UPBRBKLTZTWXGO-HNNXBMFYSA-N 1 0 261.365 3.088 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCOC1(C)C)c1cc2c(cc1O)CCCC2 ZINC000834874077 634261347 /nfs/dbraw/zinc/26/13/47/634261347.db2.gz AWIMUIBKYAZVAU-SJKOYZFVSA-N 1 0 289.419 3.489 20 10 CGCDRO C[C@H](CCCCO)[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000834878979 634263567 /nfs/dbraw/zinc/26/35/67/634263567.db2.gz UYBUBGJKUZLTOT-ZIAGYGMSSA-N 1 0 291.435 3.473 20 10 CGCDRO CCc1ncc(C[NH2+][C@H](C)c2cc(C)ccc2O)o1 ZINC000834898311 634274360 /nfs/dbraw/zinc/27/43/60/634274360.db2.gz BWYFDSMXKDWFNQ-LLVKDONJSA-N 1 0 260.337 3.102 20 10 CGCDRO CCCc1ncc(C[NH2+][C@H](C)c2cc(C)ccc2O)o1 ZINC000834900453 634276733 /nfs/dbraw/zinc/27/67/33/634276733.db2.gz PXUNRKKVBCTWRK-GFCCVEGCSA-N 1 0 274.364 3.492 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)[C@H](OC)C1CC1)c1ccc(F)cc1[O-] ZINC000834903981 634279933 /nfs/dbraw/zinc/27/99/33/634279933.db2.gz MQPNFCBXFUUUDQ-FSBGKCOPSA-N 1 0 281.371 3.386 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2COCC2(C)C)cc1 ZINC000834904921 634281149 /nfs/dbraw/zinc/28/11/49/634281149.db2.gz QYTPOKVWTLINCT-CJNGLKHVSA-N 1 0 276.424 3.218 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCN2CCCC2(C)C)c1 ZINC000834909323 634284441 /nfs/dbraw/zinc/28/44/41/634284441.db2.gz KJHRIBRGEIEXCS-AWEZNQCLSA-N 1 0 276.424 3.226 20 10 CGCDRO Cc1cccc(CNc2ccc([C@@H]3C[C@H]3[NH3+])cc2)c1O ZINC000873214820 634287363 /nfs/dbraw/zinc/28/73/63/634287363.db2.gz KFMQNNRQIYEPID-JKSUJKDBSA-N 1 0 268.360 3.127 20 10 CGCDRO CC[C@@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1ccc(F)cc1[O-] ZINC000873245611 634299082 /nfs/dbraw/zinc/29/90/82/634299082.db2.gz SHDQKUNDNNSLBA-DZGCQCFKSA-N 1 0 294.414 3.350 20 10 CGCDRO CN(C)c1ccc(/C=C/C[N@H+](C)[C@H](CO)C(C)(C)C)cc1 ZINC000835028654 634326185 /nfs/dbraw/zinc/32/61/85/634326185.db2.gz OJWCXHZNIPXSSX-IWAYRVGRSA-N 1 0 290.451 3.105 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@H](O)c2ccccc2)cc1 ZINC000835032919 634327021 /nfs/dbraw/zinc/32/70/21/634327021.db2.gz AEFNEVNDOVDPER-RURPWVQCSA-N 1 0 296.414 3.089 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+]CCOC2CCCC2)cc1 ZINC000835037532 634328627 /nfs/dbraw/zinc/32/86/27/634328627.db2.gz QFDFZYVTVYZKJR-AATRIKPKSA-N 1 0 288.435 3.315 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@H](O)CC(C)(C)C)cc1 ZINC000835040918 634329536 /nfs/dbraw/zinc/32/95/36/634329536.db2.gz WHCYJFQKTQTHQU-JTGQJZMRSA-N 1 0 290.451 3.153 20 10 CGCDRO C[C@@H]1COCC[C@@H]1C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835054850 634339128 /nfs/dbraw/zinc/33/91/28/634339128.db2.gz ZPXPDBHJSXWTSN-GWOVIKRFSA-N 1 0 288.435 3.028 20 10 CGCDRO CC(C)[N@H+](C/C=C/c1ccc(N(C)C)cc1)[C@@H]1CCOC1 ZINC000835056657 634340378 /nfs/dbraw/zinc/34/03/78/634340378.db2.gz WNXAXMVEZKHLJW-DUMMIQTOSA-N 1 0 288.435 3.265 20 10 CGCDRO COCC(C)(C)C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835056570 634340794 /nfs/dbraw/zinc/34/07/94/634340794.db2.gz VWYHASIAGCUVPX-SREVYHEPSA-N 1 0 276.424 3.028 20 10 CGCDRO Cc1ccc(CC[NH2+]C/C=C/c2ccc(N(C)C)cc2)nc1 ZINC000835066418 634344104 /nfs/dbraw/zinc/34/41/04/634344104.db2.gz WJPMOTHFRYMRCI-SNAWJCMRSA-N 1 0 295.430 3.302 20 10 CGCDRO Cc1cnc(CC[N@@H+](C)Cc2ccc(C)cc2O)s1 ZINC000876780288 634897908 /nfs/dbraw/zinc/89/79/08/634897908.db2.gz UALFYGBCCMVLGF-UHFFFAOYSA-N 1 0 276.405 3.140 20 10 CGCDRO Cc1ccc(C[NH2+]C2CCN(c3ccccc3)CC2)c(O)c1 ZINC000876963671 634938324 /nfs/dbraw/zinc/93/83/24/634938324.db2.gz SEOPUELONQHSBA-UHFFFAOYSA-N 1 0 296.414 3.459 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CC2(Cl)Cl)cc1F ZINC000876989147 634945380 /nfs/dbraw/zinc/94/53/80/634945380.db2.gz PWYLLVHUTBTDDD-JTQLQIEISA-N 1 0 291.197 3.175 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]Cc1ccc(N(C)C)cc1C ZINC000877030339 634955994 /nfs/dbraw/zinc/95/59/94/634955994.db2.gz BPRNLOPVCYDMFP-UHFFFAOYSA-N 1 0 284.403 3.365 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]Cc1c(C)cccc1F ZINC000877069246 634970288 /nfs/dbraw/zinc/97/02/88/634970288.db2.gz YQKKQQGJTMUVLZ-UHFFFAOYSA-N 1 0 259.324 3.438 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]C[C@H]1CCCO[C@@H]1C(C)C ZINC000877074009 634972721 /nfs/dbraw/zinc/97/27/21/634972721.db2.gz XMJVZIYLZOVDSF-RHSMWYFYSA-N 1 0 277.408 3.241 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H]2CCO[C@@H](CC(C)C)C2)c(O)c1 ZINC000877140937 635000287 /nfs/dbraw/zinc/00/02/87/635000287.db2.gz BTRKBCJDBBCEMZ-CVEARBPZSA-N 1 0 277.408 3.384 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+](C)C[C@H](C)c1nccs1 ZINC000877316439 635024733 /nfs/dbraw/zinc/02/47/33/635024733.db2.gz ZSIKNDHSWYAYHG-LBPRGKRZSA-N 1 0 276.405 3.393 20 10 CGCDRO COc1ccc(C[NH2+]C[C@]2(C)CCCS2)cc1C ZINC000126484579 635032463 /nfs/dbraw/zinc/03/24/63/635032463.db2.gz MJYTYSMTILICPD-HNNXBMFYSA-N 1 0 265.422 3.379 20 10 CGCDRO Cc1ccc(C[NH+]2CCC(O)(c3ccccc3)CC2)c(O)c1 ZINC000877387321 635032930 /nfs/dbraw/zinc/03/29/30/635032930.db2.gz XMPFGVILISQICE-UHFFFAOYSA-N 1 0 297.398 3.184 20 10 CGCDRO C[C@]1(C[NH2+]Cc2cc(Cl)ccc2O)CCCS1 ZINC000126509682 635035578 /nfs/dbraw/zinc/03/55/78/635035578.db2.gz BVKUZPLKXLZGCS-CYBMUJFWSA-N 1 0 271.813 3.421 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]Cc1ccc2c(n1)CCCC2 ZINC000877480181 635053182 /nfs/dbraw/zinc/05/31/82/635053182.db2.gz MHLZHIWIMBKXEU-UHFFFAOYSA-N 1 0 282.387 3.264 20 10 CGCDRO Cc1cccc(O)c1C[N@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000877486343 635056651 /nfs/dbraw/zinc/05/66/51/635056651.db2.gz ICVPISUWLUNPNC-JQWIXIFHSA-N 1 0 273.298 3.473 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccn(C)n2)c(O)c1C ZINC000840816728 635057633 /nfs/dbraw/zinc/05/76/33/635057633.db2.gz OWFAINAKSXLVDU-OLZOCXBDSA-N 1 0 273.380 3.154 20 10 CGCDRO Cc1ccc([C@@H](O)[C@H](C)[NH2+]Cc2ccc(C)cc2O)cc1 ZINC000877516693 635066922 /nfs/dbraw/zinc/06/69/22/635066922.db2.gz DENDXSLLOCSLSB-KSSFIOAISA-N 1 0 285.387 3.221 20 10 CGCDRO CN(C)c1ccc(CNc2[nH+]ccn2C)c(C(F)(F)F)c1 ZINC000840888070 635076541 /nfs/dbraw/zinc/07/65/41/635076541.db2.gz WWHPRPBQBWKJEY-UHFFFAOYSA-N 1 0 298.312 3.117 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H]1CCOC[C@@H]1C ZINC000840893841 635077191 /nfs/dbraw/zinc/07/71/91/635077191.db2.gz MVKICGSENQEXJD-RLFYNMQTSA-N 1 0 290.451 3.007 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H](CO)C2)cc1 ZINC000840895698 635078024 /nfs/dbraw/zinc/07/80/24/635078024.db2.gz SIENMHBYSDXVIM-YQQAZPJKSA-N 1 0 290.451 3.344 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H](CCO)CC(C)C)c(Cl)c1 ZINC000840902641 635078811 /nfs/dbraw/zinc/07/88/11/635078811.db2.gz VBMJCVTXEMKMBB-ZDUSSCGKSA-N 1 0 299.842 3.488 20 10 CGCDRO COC[C@@H]1CCC[N@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000840918004 635083281 /nfs/dbraw/zinc/08/32/81/635083281.db2.gz NQMYXTGXRQWKQW-GFCCVEGCSA-N 1 0 283.799 3.212 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)[C@H]1CCCCO1 ZINC000840936970 635085522 /nfs/dbraw/zinc/08/55/22/635085522.db2.gz PFGTWMTVCSXTAC-WMLDXEAASA-N 1 0 276.424 3.108 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCCCC[C@H]1CCO ZINC000840943509 635089824 /nfs/dbraw/zinc/08/98/24/635089824.db2.gz SWDONKWSESJVEJ-KRWDZBQOSA-N 1 0 290.451 3.188 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000840951706 635090471 /nfs/dbraw/zinc/09/04/71/635090471.db2.gz HOQWESQMOGGYDV-RDJZCZTQSA-N 1 0 258.409 3.197 20 10 CGCDRO Cc1ccc(CC[NH2+]Cc2c(O)cc(C)cc2Cl)nc1 ZINC000840953023 635092360 /nfs/dbraw/zinc/09/23/60/635092360.db2.gz KZPPAWXORSOQDC-UHFFFAOYSA-N 1 0 290.794 3.390 20 10 CGCDRO COCC[C@@H](C)C[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840955768 635093161 /nfs/dbraw/zinc/09/31/61/635093161.db2.gz WVAIPCBEPJTJTM-SNVBAGLBSA-N 1 0 271.788 3.116 20 10 CGCDRO CO[C@@](C)([C@@H](C)[NH2+]Cc1cc(Cl)ccc1O)C1CC1 ZINC000840960996 635094037 /nfs/dbraw/zinc/09/40/37/635094037.db2.gz PHEOOOBOQZIEOU-BMIGLBTASA-N 1 0 283.799 3.339 20 10 CGCDRO CC[N@H+](Cc1occc1C)Cc1cc(F)ccc1O ZINC000840969201 635095896 /nfs/dbraw/zinc/09/58/96/635095896.db2.gz ANZCYYFSYGRBBR-UHFFFAOYSA-N 1 0 263.312 3.455 20 10 CGCDRO COc1ccc(C[NH2+][C@H](C)C2(OC)CCC2)cc1C ZINC000840969575 635097453 /nfs/dbraw/zinc/09/74/53/635097453.db2.gz IZEJIWMKKBVZHJ-CYBMUJFWSA-N 1 0 263.381 3.051 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]C[C@H](C)CC(F)(F)F ZINC000877588905 635104192 /nfs/dbraw/zinc/10/41/92/635104192.db2.gz BTHDCRNYCCGZII-SECBINFHSA-N 1 0 261.287 3.379 20 10 CGCDRO Cc1cccc(O)c1C[NH2+][C@@H](c1ccccc1F)[C@@H](C)O ZINC000877610209 635110565 /nfs/dbraw/zinc/11/05/65/635110565.db2.gz HKZCLOPGFYUCHL-SJKOYZFVSA-N 1 0 289.350 3.051 20 10 CGCDRO CC[NH2+]Cc1ccccc1NCc1cc(OC)ccc1O ZINC000841042898 635113409 /nfs/dbraw/zinc/11/34/09/635113409.db2.gz KUHNBWISKITBRY-UHFFFAOYSA-N 1 0 286.375 3.122 20 10 CGCDRO COc1ccc2c(c1)C[N@@H+](Cc1ccc(C)cc1O)C2 ZINC000877619001 635115598 /nfs/dbraw/zinc/11/55/98/635115598.db2.gz LQNCNVKEYIQFNE-UHFFFAOYSA-N 1 0 269.344 3.225 20 10 CGCDRO Oc1ccccc1C[NH2+]Cc1ccc2c(c1)CCCN2 ZINC000841070625 635117837 /nfs/dbraw/zinc/11/78/37/635117837.db2.gz SRYGCCSMFAIJFJ-UHFFFAOYSA-N 1 0 268.360 3.040 20 10 CGCDRO Cc1ccc(O)c(CN2C[C@H](C)[NH2+]Cc3ccccc32)c1 ZINC000841090131 635121088 /nfs/dbraw/zinc/12/10/88/635121088.db2.gz WFUFRCMIWHZKJN-AWEZNQCLSA-N 1 0 282.387 3.199 20 10 CGCDRO Cc1cccc(O)c1C[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000877642936 635128448 /nfs/dbraw/zinc/12/84/48/635128448.db2.gz YCNSSUPPSDPEGJ-HDICACEKSA-N 1 0 287.403 3.093 20 10 CGCDRO COc1cccc(C)c1C[NH2+]Cc1cc(C)ccc1O ZINC000877652709 635133140 /nfs/dbraw/zinc/13/31/40/635133140.db2.gz LWCLUYCWLKLWPP-UHFFFAOYSA-N 1 0 271.360 3.307 20 10 CGCDRO CCOc1ccc(O)c(C[NH+]2CCC(SC)CC2)c1 ZINC000877663610 635137549 /nfs/dbraw/zinc/13/75/49/635137549.db2.gz VXSGPAJKMNGXOK-UHFFFAOYSA-N 1 0 281.421 3.118 20 10 CGCDRO CCOCOc1ccc(C[N@@H+]2Cc3cccc(O)c3C2)cc1 ZINC000877703171 635155803 /nfs/dbraw/zinc/15/58/03/635155803.db2.gz UQXSRLBIPWBAJK-UHFFFAOYSA-N 1 0 299.370 3.281 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000877730134 635165939 /nfs/dbraw/zinc/16/59/39/635165939.db2.gz NLSHYUZYQCFYLT-UHFFFAOYSA-N 1 0 286.331 3.207 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H]3CSC[C@H]3C2)cc1F ZINC000877737512 635171566 /nfs/dbraw/zinc/17/15/66/635171566.db2.gz GSRIGGIGHLJAPT-UONOGXRCSA-N 1 0 294.439 3.077 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCCn3nccc32)cc1Cl ZINC000877778871 635200973 /nfs/dbraw/zinc/20/09/73/635200973.db2.gz VPNJTAKFEBUGQE-ZDUSSCGKSA-N 1 0 291.782 3.175 20 10 CGCDRO Cc1ccc([C@@H](O)C[NH2+][C@@H](C)c2ccc(Cl)cc2O)o1 ZINC000841755760 635230282 /nfs/dbraw/zinc/23/02/82/635230282.db2.gz RTTOMMRRIDKQOU-HZMBPMFUSA-N 1 0 295.766 3.331 20 10 CGCDRO C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1[O-] ZINC000841758615 635231262 /nfs/dbraw/zinc/23/12/62/635231262.db2.gz UAEYIYPBZSNBLW-STQMWFEESA-N 1 0 296.842 3.428 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H](C)c2nccnc2C)cc1Cl ZINC000877829088 635232264 /nfs/dbraw/zinc/23/22/64/635232264.db2.gz VOQSIDLEAMJQNU-LLVKDONJSA-N 1 0 291.782 3.303 20 10 CGCDRO CCC(CC)[C@H](O)C[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841762921 635232871 /nfs/dbraw/zinc/23/28/71/635232871.db2.gz KJLPONHCXNIICM-ZUZCIYMTSA-N 1 0 285.815 3.493 20 10 CGCDRO CCOc1ccc(C[NH2+]C[C@H](C)CC(F)F)c(O)c1 ZINC000842727707 635451209 /nfs/dbraw/zinc/45/12/09/635451209.db2.gz QRLVJKSQOQIJBL-SNVBAGLBSA-N 1 0 273.323 3.172 20 10 CGCDRO CC[C@H](C)C[C@H](CO)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000842756817 635461954 /nfs/dbraw/zinc/46/19/54/635461954.db2.gz OXPSTBZVVUGERU-RWGIFROESA-N 1 0 290.451 3.153 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CC3(CCC3)CO2)c1 ZINC000878360566 635474293 /nfs/dbraw/zinc/47/42/93/635474293.db2.gz OVYUWNJAMCLTLV-TZMCWYRMSA-N 1 0 291.391 3.011 20 10 CGCDRO CC[C@H](C)C[C@@H](CO)[NH2+]Cc1ccc2ccccc2c1O ZINC000843427936 635671117 /nfs/dbraw/zinc/67/11/17/635671117.db2.gz WUYCROFCSWIKKF-BBRMVZONSA-N 1 0 287.403 3.432 20 10 CGCDRO C[C@@H]([NH2+]CC[C@H](O)c1ccccc1)c1ccccc1O ZINC000879648836 635826569 /nfs/dbraw/zinc/82/65/69/635826569.db2.gz BMIKJMVAHMZJGX-CJNGLKHVSA-N 1 0 271.360 3.167 20 10 CGCDRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000105505009 635872574 /nfs/dbraw/zinc/87/25/74/635872574.db2.gz ZEIHHNBVRWFVSX-SKDRFNHKSA-N 1 0 284.197 3.433 20 10 CGCDRO COc1ccc(N(C)CC[N@H+](C)[C@H](C)c2cccnc2)cc1 ZINC000844399886 635890412 /nfs/dbraw/zinc/89/04/12/635890412.db2.gz RRQHGEZPEGEVRI-OAHLLOKOSA-N 1 0 299.418 3.219 20 10 CGCDRO CO[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(N(C)C)c(C)c1 ZINC000844406431 635892123 /nfs/dbraw/zinc/89/21/23/635892123.db2.gz VJIDRKHGZHWPPZ-NVXWUHKLSA-N 1 0 276.424 3.108 20 10 CGCDRO CC[C@H]1C[N@H+](Cc2cc(C)cc(C)c2O)[C@H](C)CO1 ZINC000844732665 635957350 /nfs/dbraw/zinc/95/73/50/635957350.db2.gz QWYWJUZHUZKIOC-HIFRSBDPSA-N 1 0 263.381 3.008 20 10 CGCDRO CC[C@@H]1C[N@H+](Cc2cc(C)cc(C)c2O)[C@H](C)CO1 ZINC000844732669 635957586 /nfs/dbraw/zinc/95/75/86/635957586.db2.gz QWYWJUZHUZKIOC-UKRRQHHQSA-N 1 0 263.381 3.008 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)c1O ZINC000844746973 635958233 /nfs/dbraw/zinc/95/82/33/635958233.db2.gz QLOWFUKKXIFXIJ-OAHLLOKOSA-N 1 0 297.345 3.330 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+][C@H]1CNc3ccccc3C1)CC2 ZINC000844919105 635983534 /nfs/dbraw/zinc/98/35/34/635983534.db2.gz CKHKSZUJCSGTDQ-ZBFHGGJFSA-N 1 0 280.371 3.006 20 10 CGCDRO CC[C@H]([NH2+]CCC1(C[NH3+])CC1)c1cccc(Cl)c1[O-] ZINC000844921787 635983887 /nfs/dbraw/zinc/98/38/87/635983887.db2.gz UMEKUABRJWPIJB-ZDUSSCGKSA-N 1 0 282.815 3.215 20 10 CGCDRO COCc1ccc(C[NH2+]CCCSc2nccs2)o1 ZINC000128391755 635990024 /nfs/dbraw/zinc/99/00/24/635990024.db2.gz DSAFOHSGNYSFRZ-UHFFFAOYSA-N 1 0 298.433 3.155 20 10 CGCDRO COc1ccc(O)c(C[NH2+]Cc2cccc3c2CCC3)c1 ZINC000845938007 636120546 /nfs/dbraw/zinc/12/05/46/636120546.db2.gz RAAUDDLWNKKFTR-UHFFFAOYSA-N 1 0 283.371 3.179 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cccc(C)c2O)c1 ZINC000845970875 636125621 /nfs/dbraw/zinc/12/56/21/636125621.db2.gz DYXBUPYAMRJWKZ-LBPRGKRZSA-N 1 0 287.359 3.266 20 10 CGCDRO Cc1ccc(C[NH2+][C@H](C)c2ccccc2O)cc1[N+](=O)[O-] ZINC000845991695 636127687 /nfs/dbraw/zinc/12/76/87/636127687.db2.gz VKJVWXOFLNYHPO-GFCCVEGCSA-N 1 0 286.331 3.460 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H](C)[C@@](C)(O)c2ccccc2)cc1C ZINC000846039287 636135238 /nfs/dbraw/zinc/13/52/38/636135238.db2.gz QNQIIZAREBHMPB-DNVCBOLYSA-N 1 0 299.414 3.395 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]CCOc2ccccc2)c1O ZINC000846135355 636148532 /nfs/dbraw/zinc/14/85/32/636148532.db2.gz CQEYSHNMNBTCAX-ZDUSSCGKSA-N 1 0 287.359 3.130 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)c1cccc(OC)c1O)C1CCOCC1 ZINC000846144041 636149395 /nfs/dbraw/zinc/14/93/95/636149395.db2.gz FWFLYYVHNNEOFJ-DOMZBBRYSA-N 1 0 293.407 3.257 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@](C)(O)CCC(C)C)c1O ZINC000846145523 636149718 /nfs/dbraw/zinc/14/97/18/636149718.db2.gz OGSCTRSTFCOJSO-DYVFJYSZSA-N 1 0 295.423 3.239 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCOC3(CCC3)C2)c1O ZINC000846155598 636150435 /nfs/dbraw/zinc/15/04/35/636150435.db2.gz HWPRWNHALHNPMB-OLZOCXBDSA-N 1 0 291.391 3.153 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+][C@H]2CC(C)(C)OC2(C)C)c1O ZINC000846164908 636151066 /nfs/dbraw/zinc/15/10/66/636151066.db2.gz ZWYQXEIYZMVMCC-RISCZKNCSA-N 1 0 293.407 3.398 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@H](C)c2nccs2)c1O ZINC000846162665 636151183 /nfs/dbraw/zinc/15/11/83/636151183.db2.gz IYCZRPMBIZVTAA-QWRGUYRKSA-N 1 0 292.404 3.312 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]CC[C@@H]2CCO[C@@H](C)C2)c1O ZINC000846161977 636151278 /nfs/dbraw/zinc/15/12/78/636151278.db2.gz DKZAGRZSYFWKMV-MELADBBJSA-N 1 0 293.407 3.257 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]CC[C@H]2CCCCO2)c1O ZINC000846163117 636151409 /nfs/dbraw/zinc/15/14/09/636151409.db2.gz KVCRTQATRCVBCN-CHWSQXEVSA-N 1 0 279.380 3.011 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2CCC[C@H]2C)c1O ZINC000846167074 636152349 /nfs/dbraw/zinc/15/23/49/636152349.db2.gz GMWGEOPHWDHSOJ-AGIUHOORSA-N 1 0 263.381 3.488 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)c1O ZINC000846169765 636153204 /nfs/dbraw/zinc/15/32/04/636153204.db2.gz SWMSOGNBJTUKON-XCCSTKFXSA-N 1 0 261.365 3.240 20 10 CGCDRO CC[C@@H]1C[C@H]([NH2+][C@H](C)c2cccc(OC)c2O)CCO1 ZINC000846175179 636153635 /nfs/dbraw/zinc/15/36/35/636153635.db2.gz XNZWOGCBSVNOBB-JHJVBQTASA-N 1 0 279.380 3.009 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCC2(CO)CCC2)cc1 ZINC000846209290 636158694 /nfs/dbraw/zinc/15/86/94/636158694.db2.gz COGYFDSNLSWMAN-OAHLLOKOSA-N 1 0 290.451 3.346 20 10 CGCDRO C[C@]1(CC[NH2+]Cc2cc(F)cc(F)c2[O-])C[C@@]1(F)Cl ZINC000883158087 636560120 /nfs/dbraw/zinc/56/01/20/636560120.db2.gz UIBPKJCZBBWAQC-STQMWFEESA-N 1 0 293.716 3.465 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCCN2CCCC[C@H]12)c1ccccc1O ZINC000848568722 636611355 /nfs/dbraw/zinc/61/13/55/636611355.db2.gz PEPQALHZLOXJME-CWRNSKLLSA-N 1 0 274.408 3.060 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCCN3CCCC[C@H]23)cc1C ZINC000848575451 636612603 /nfs/dbraw/zinc/61/26/03/636612603.db2.gz QVYVPUHLUBRACU-DLBZAZTESA-N 1 0 288.435 3.116 20 10 CGCDRO CCc1cccc(C[N@H+](C)Cc2c(C)noc2C)c1O ZINC000848882679 636672433 /nfs/dbraw/zinc/67/24/33/636672433.db2.gz YAIDSXDQYOEYRG-UHFFFAOYSA-N 1 0 274.364 3.191 20 10 CGCDRO CCc1cccc(C[N@@H+]2CC[C@H](OCC(C)C)C2)c1O ZINC000848890879 636677859 /nfs/dbraw/zinc/67/78/59/636677859.db2.gz VGERZXHWOQTXPX-INIZCTEOSA-N 1 0 277.408 3.202 20 10 CGCDRO CCc1cccc(C[NH2+][C@H](CCO)c2cccs2)c1O ZINC000848898150 636680484 /nfs/dbraw/zinc/68/04/84/636680484.db2.gz YZMRUAZVNUIFME-CQSZACIVSA-N 1 0 291.416 3.229 20 10 CGCDRO CCc1cccc(C[NH2+][C@H](COC)Cc2ccccc2)c1O ZINC000848898361 636680613 /nfs/dbraw/zinc/68/06/13/636680613.db2.gz UQONMDYNYFCTIP-SFHVURJKSA-N 1 0 299.414 3.302 20 10 CGCDRO CCc1cccc(C[NH2+]Cc2cc(F)cc(OC)c2)c1O ZINC000848900139 636681702 /nfs/dbraw/zinc/68/17/02/636681702.db2.gz YAXYRCSIJUQLPG-UHFFFAOYSA-N 1 0 289.350 3.392 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCC[C@@](C)(OC)CC2)c1O ZINC000848907910 636685471 /nfs/dbraw/zinc/68/54/71/636685471.db2.gz KUCIVORDULEVMG-QGZVFWFLSA-N 1 0 277.408 3.346 20 10 CGCDRO CCc1cccc(C[NH+]2CCC3(CCOCC3)CC2)c1O ZINC000848911708 636686584 /nfs/dbraw/zinc/68/65/84/636686584.db2.gz YIHDXICAJLKHAR-UHFFFAOYSA-N 1 0 289.419 3.347 20 10 CGCDRO CCc1cccc(C[NH+]2CCC(c3ccncn3)CC2)c1O ZINC000848917525 636690258 /nfs/dbraw/zinc/69/02/58/636690258.db2.gz UDZOYMWQDLAJLY-UHFFFAOYSA-N 1 0 297.402 3.124 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C[C@@H](C)O)C2CC2)cc1F ZINC000848928856 636699852 /nfs/dbraw/zinc/69/98/52/636699852.db2.gz PMDYDLWXHDGLMJ-CYBMUJFWSA-N 1 0 294.414 3.017 20 10 CGCDRO C[C@H](O)C[N@H+](Cc1cc(-c2ccccc2)ccc1O)C1CC1 ZINC000848929442 636700749 /nfs/dbraw/zinc/70/07/49/636700749.db2.gz WYJVUGQBSYIXKW-AWEZNQCLSA-N 1 0 297.398 3.404 20 10 CGCDRO COC[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000131970644 636771326 /nfs/dbraw/zinc/77/13/26/636771326.db2.gz JWYBKHXOWJHQJI-GJZGRUSLSA-N 1 0 276.424 3.362 20 10 CGCDRO COc1ccc(O)c(C[N@H+](C)[C@H](C)C(C)(C)C)c1 ZINC000132564946 636820825 /nfs/dbraw/zinc/82/08/25/636820825.db2.gz XXBMDJHYWUPQNB-LLVKDONJSA-N 1 0 251.370 3.267 20 10 CGCDRO COc1ccc(O)c(C[N@H+](C)[C@H]2CCC[C@H](C)C2)c1 ZINC000132739654 636833252 /nfs/dbraw/zinc/83/32/52/636833252.db2.gz DUIWVBZFTIWKBB-JSGCOSHPSA-N 1 0 263.381 3.411 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3ccccc3)C2)cc1 ZINC000850345909 637021788 /nfs/dbraw/zinc/02/17/88/637021788.db2.gz NKTLMIWHSQMPDL-INIZCTEOSA-N 1 0 282.387 3.064 20 10 CGCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3ccc(C)cc3)C2)cc1 ZINC000850345474 637022055 /nfs/dbraw/zinc/02/20/55/637022055.db2.gz BGQGNEPNQATWKL-QGZVFWFLSA-N 1 0 296.414 3.372 20 10 CGCDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC000850360684 637029618 /nfs/dbraw/zinc/02/96/18/637029618.db2.gz MPYWINKLYVEXEU-SAABIXHNSA-N 1 0 288.435 3.334 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]CCC(C)(C)F)c1 ZINC000850374478 637037097 /nfs/dbraw/zinc/03/70/97/637037097.db2.gz KKIOQYVXMAKUJO-UHFFFAOYSA-N 1 0 255.333 3.019 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]C(C)(C2CC2)C2CC2)c1 ZINC000850398848 637047926 /nfs/dbraw/zinc/04/79/26/637047926.db2.gz SJURMUUKFISABH-UHFFFAOYSA-N 1 0 275.392 3.459 20 10 CGCDRO CO[C@@H](C[NH2+]Cc1cc(C)c(C)cc1O)C1CCCC1 ZINC000850401329 637048749 /nfs/dbraw/zinc/04/87/49/637048749.db2.gz XNDGRXWHZVXHHK-KRWDZBQOSA-N 1 0 277.408 3.304 20 10 CGCDRO CCOc1cccc(C[NH2+]C[C@@H](OC)C2CCCC2)c1O ZINC000850400313 637048824 /nfs/dbraw/zinc/04/88/24/637048824.db2.gz FYWMEZRCWVCHTM-MRXNPFEDSA-N 1 0 293.407 3.086 20 10 CGCDRO CC(C)C[C@@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850405953 637050850 /nfs/dbraw/zinc/05/08/50/637050850.db2.gz LQPFCNQCIJXHJX-OAHLLOKOSA-N 1 0 290.451 3.172 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H](O)[C@H](C)c2ccccc2)cc1C ZINC000850412275 637053286 /nfs/dbraw/zinc/05/32/86/637053286.db2.gz VMCAIHKQMMVEGK-DNVCBOLYSA-N 1 0 299.414 3.263 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H](c2ccccc2)[C@H](C)O)cc1C ZINC000850420611 637055265 /nfs/dbraw/zinc/05/52/65/637055265.db2.gz PWMICOSUWGSDAC-KSSFIOAISA-N 1 0 285.387 3.221 20 10 CGCDRO COC1([C@H](C)[NH2+]CCCSc2nccs2)CCC1 ZINC000850436750 637061986 /nfs/dbraw/zinc/06/19/86/637061986.db2.gz LNCNFPJFFMUPJR-NSHDSACASA-N 1 0 286.466 3.173 20 10 CGCDRO C[C@H]([NH2+][C@@H]1COC(C)(C)C1)c1ccc(Cl)cc1O ZINC000850481970 637085692 /nfs/dbraw/zinc/08/56/92/637085692.db2.gz LMDIHMMHVCLDLD-ONGXEEELSA-N 1 0 269.772 3.264 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2COC(C)(C)C2)c(O)c1C ZINC000850482679 637086492 /nfs/dbraw/zinc/08/64/92/637086492.db2.gz QUTKYXUJDPCWOD-STQMWFEESA-N 1 0 263.381 3.227 20 10 CGCDRO COC1CC(CC[NH2+][C@H](C)c2cc(C)ccc2O)C1 ZINC000850483207 637086861 /nfs/dbraw/zinc/08/68/61/637086861.db2.gz VEGWURZFQRVZHA-IYXRBSQSSA-N 1 0 263.381 3.166 20 10 CGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H]3CCC34CCC4)C2)cc1 ZINC000850489175 637088534 /nfs/dbraw/zinc/08/85/34/637088534.db2.gz WFUIEVKSDWSWPT-RHSMWYFYSA-N 1 0 286.419 3.196 20 10 CGCDRO CC[C@@H](C)CC[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000850504802 637093200 /nfs/dbraw/zinc/09/32/00/637093200.db2.gz FPONZBDHKMAEKO-NEPJUHHUSA-N 1 0 251.370 3.488 20 10 CGCDRO C[C@H]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCCN3C)C1 ZINC000135167958 637095348 /nfs/dbraw/zinc/09/53/48/637095348.db2.gz MKFRRCAKUVGIAY-BBRMVZONSA-N 1 0 258.409 3.347 20 10 CGCDRO Cc1cncc(CC[NH2+][C@@H](C)c2cc(Cl)ccc2O)n1 ZINC000850549883 637117627 /nfs/dbraw/zinc/11/76/27/637117627.db2.gz KFWMHEIWZFPLFQ-NSHDSACASA-N 1 0 291.782 3.037 20 10 CGCDRO CCCN1CC[C@H]([NH2+][C@H](C)c2ccc(C)c(C)c2O)C1 ZINC000850554062 637119032 /nfs/dbraw/zinc/11/90/32/637119032.db2.gz HKRPSSKTFNWSCB-CABCVRRESA-N 1 0 276.424 3.144 20 10 CGCDRO C[C@@H](O)[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1ccccc1 ZINC000850585418 637133220 /nfs/dbraw/zinc/13/32/20/637133220.db2.gz XYCUPSHBOOISRO-XWCIJXRUSA-N 1 0 289.350 3.304 20 10 CGCDRO Cc1ccc(OCC[N@@H+](C)Cc2ccccc2O)cc1 ZINC000109773374 637267073 /nfs/dbraw/zinc/26/70/73/637267073.db2.gz FKSWUZXLCPZKAJ-UHFFFAOYSA-N 1 0 271.360 3.211 20 10 CGCDRO C[N@H+](CCCOc1ccc(F)cc1)Cc1ccccc1O ZINC000109771586 637267492 /nfs/dbraw/zinc/26/74/92/637267492.db2.gz SJUFOWBXEMFXRI-UHFFFAOYSA-N 1 0 289.350 3.432 20 10 CGCDRO CC(C)=CCC[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000851716424 637472370 /nfs/dbraw/zinc/47/23/70/637472370.db2.gz BSRWWTPVAOOKIY-UHFFFAOYSA-N 1 0 288.435 3.311 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+]Cc2cc(C3CC3)no2)cc1 ZINC000886269039 637474613 /nfs/dbraw/zinc/47/46/13/637474613.db2.gz JOBPQKCCJKOMHR-ONEGZZNKSA-N 1 0 297.402 3.421 20 10 CGCDRO COc1ccc(C[NH2+]C[C@@H]2CC3(CCC3)CO2)cc1C ZINC000886290593 637486945 /nfs/dbraw/zinc/48/69/45/637486945.db2.gz JGPWOSNPSDUTED-HNNXBMFYSA-N 1 0 275.392 3.052 20 10 CGCDRO Oc1ccccc1C[N@H+](CC1CC=CC1)C[C@@H]1CCCO1 ZINC000851841901 637519213 /nfs/dbraw/zinc/51/92/13/637519213.db2.gz ZMWOHUCGWZGPPK-KRWDZBQOSA-N 1 0 287.403 3.339 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cccc(N)c1)c1ccccc1O ZINC000851904016 637539867 /nfs/dbraw/zinc/53/98/67/637539867.db2.gz YNPPNXWMMIBRIV-OAHLLOKOSA-N 1 0 256.349 3.215 20 10 CGCDRO C[C@H](NCC[N@H+](C)C1CCCC1)c1c(O)cccc1F ZINC000886524846 637552750 /nfs/dbraw/zinc/55/27/50/637552750.db2.gz SELSJIUXNAYJEV-LBPRGKRZSA-N 1 0 280.387 3.056 20 10 CGCDRO CN(C)c1ccc(C[NH+]2CCC(c3ccon3)CC2)cc1 ZINC000852673308 637692796 /nfs/dbraw/zinc/69/27/96/637692796.db2.gz PPPIUEMYOWNMRP-UHFFFAOYSA-N 1 0 285.391 3.120 20 10 CGCDRO C[N@H+](CCCOCCc1ccccc1)Cc1ccccc1O ZINC000111236024 637803820 /nfs/dbraw/zinc/80/38/20/637803820.db2.gz ZWYGETLLBXHCEA-UHFFFAOYSA-N 1 0 299.414 3.473 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCC(C)(C)[NH3+])c1O ZINC000925737485 638589142 /nfs/dbraw/zinc/58/91/42/638589142.db2.gz JEFLJGRONMFLTB-JTQLQIEISA-N 1 0 270.804 3.132 20 10 CGCDRO C[C@H](Cc1ccco1)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858091762 638625047 /nfs/dbraw/zinc/62/50/47/638625047.db2.gz FEHGSLOPOJEYDA-LLVKDONJSA-N 1 0 294.345 3.345 20 10 CGCDRO CCSCCC[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858162061 638647429 /nfs/dbraw/zinc/64/74/29/638647429.db2.gz NBVPZUBJWFDLIZ-UHFFFAOYSA-N 1 0 288.407 3.264 20 10 CGCDRO CC(C)O[C@H]1C[C@@H]([NH2+]Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000858176437 638649188 /nfs/dbraw/zinc/64/91/88/638649188.db2.gz XQCMPNAOZQSTOG-BETUJISGSA-N 1 0 298.377 3.076 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H]2COc3cccc(C)c3C2)c1 ZINC000858215981 638658340 /nfs/dbraw/zinc/65/83/40/638658340.db2.gz RQIQUJMBNSNDDD-OAHLLOKOSA-N 1 0 283.371 3.102 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H]1CCCN1CC(F)F)c1ccccc1O ZINC000858479277 638734766 /nfs/dbraw/zinc/73/47/66/638734766.db2.gz MVWQQMAFRKZQEX-JSGCOSHPSA-N 1 0 298.377 3.162 20 10 CGCDRO CC[C@H]([NH2+][C@H](CO)CCC(C)C)c1ccccc1O ZINC000858486565 638737336 /nfs/dbraw/zinc/73/73/36/638737336.db2.gz VQESQZCJJFVULQ-ZFWWWQNUSA-N 1 0 265.397 3.230 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1C[C@@H](O)C1)c1ccc(N2CCCCC2)cc1 ZINC000858545219 638758287 /nfs/dbraw/zinc/75/82/87/638758287.db2.gz KLLKNHQTYQSBMN-RLFYNMQTSA-N 1 0 288.435 3.098 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc[nH]c1=O)c1cc2c(cc1O)CCCC2 ZINC000858563852 638762401 /nfs/dbraw/zinc/76/24/01/638762401.db2.gz XZVVRHOWUNCTGF-GFCCVEGCSA-N 1 0 298.386 3.222 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)c1cc(F)ccc1O ZINC000926948936 638828720 /nfs/dbraw/zinc/82/87/20/638828720.db2.gz LNGPALUOMOGQNP-VHSKPIJISA-N 1 0 277.261 3.380 20 10 CGCDRO CC(C)N(Cc1nncs1)Cc1ccc(N(C)C)cc1 ZINC000929295070 638916528 /nfs/dbraw/zinc/91/65/28/638916528.db2.gz IRGSFFSQQMXPGL-UHFFFAOYSA-N 1 0 290.436 3.015 20 10 CGCDRO COc1cccc(C[NH2+]C2(C)CCC(C)CC2)c1O ZINC000116341610 639021628 /nfs/dbraw/zinc/02/16/28/639021628.db2.gz FPQIAHNQIWQBDO-UHFFFAOYSA-N 1 0 263.381 3.459 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2CCOC23CCCC3)cc1C ZINC000934383907 639598831 /nfs/dbraw/zinc/59/88/31/639598831.db2.gz ONRFPGSBEWCYEM-INIZCTEOSA-N 1 0 275.392 3.195 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CCCN(C)C1)c1ccc2ccccc2c1O ZINC000040671904 639896133 /nfs/dbraw/zinc/89/61/33/639896133.db2.gz FGJSSWKLHKKVLW-HIFRSBDPSA-N 1 0 284.403 3.290 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCCN(C)C1)c1ccc2ccccc2c1O ZINC000040671901 639896735 /nfs/dbraw/zinc/89/67/35/639896735.db2.gz FGJSSWKLHKKVLW-DZGCQCFKSA-N 1 0 284.403 3.290 20 10 CGCDRO CC(C)C[C@H](CO)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000040774843 639896745 /nfs/dbraw/zinc/89/67/45/639896745.db2.gz JTQSWEGQMDFZFC-QGZVFWFLSA-N 1 0 290.451 3.174 20 10 CGCDRO C[C@H](C[NH2+]Cc1cccc(Cl)c1[O-])C[NH+]1CCCCC1 ZINC000158112565 639998222 /nfs/dbraw/zinc/99/82/22/639998222.db2.gz MMNOYZCSVYOPPE-CYBMUJFWSA-N 1 0 296.842 3.257 20 10 CGCDRO CCC1CCC([NH2+]Cc2cc(OC)ccc2O)CC1 ZINC000049117283 640084149 /nfs/dbraw/zinc/08/41/49/640084149.db2.gz OALBLRYPTYHKKT-UHFFFAOYSA-N 1 0 263.381 3.459 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)cc1OC ZINC000160061288 640087434 /nfs/dbraw/zinc/08/74/34/640087434.db2.gz KQXAOSHJVKNTIX-JSGCOSHPSA-N 1 0 291.391 3.174 20 10 CGCDRO C[C@H]([NH2+][C@@H]1C[C@H](O)C1(C)C)c1cc2c(cc1O)CCCC2 ZINC000187675216 640093082 /nfs/dbraw/zinc/09/30/82/640093082.db2.gz QTWHGTKEVSQZBX-JECHBYEQSA-N 1 0 289.419 3.081 20 10 CGCDRO C[C@H]([NH2+][C@H]1C[C@H](O)C1(C)C)c1cc2c(cc1O)CCCC2 ZINC000187675254 640093127 /nfs/dbraw/zinc/09/31/27/640093127.db2.gz QTWHGTKEVSQZBX-GOPGUHFVSA-N 1 0 289.419 3.081 20 10 CGCDRO CC(C)CC[C@@](C)(O)C[NH2+]Cc1cc(Cl)ccc1O ZINC000077456244 640240093 /nfs/dbraw/zinc/24/00/93/640240093.db2.gz XVOYYVXULVFEON-OAHLLOKOSA-N 1 0 285.815 3.322 20 10 CGCDRO C[C@H]1CCC[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)CC1 ZINC000191112281 640290091 /nfs/dbraw/zinc/29/00/91/640290091.db2.gz OXKACRXRNBYBCT-AAEUAGOBSA-N 1 0 277.364 3.179 20 10 CGCDRO CC[C@H]([NH2+]C1C[C@H](C)O[C@@H](C)C1)c1ccccc1O ZINC000246023327 640652724 /nfs/dbraw/zinc/65/27/24/640652724.db2.gz KINFSRLECZSOEC-HUBLWGQQSA-N 1 0 263.381 3.389 20 10 CGCDRO CC[C@H](C)[C@H](O)C[NH2+][C@H](C)c1ccc(N(C)CC)cc1 ZINC000247920227 640735839 /nfs/dbraw/zinc/73/58/39/640735839.db2.gz BBIMMYBVABLHDX-JJRVBVJISA-N 1 0 278.440 3.200 20 10 CGCDRO C[C@@H](O)C[N@H+](Cc1ccc(N(C)C)cc1)C1CCCCC1 ZINC000092974200 640752393 /nfs/dbraw/zinc/75/23/93/640752393.db2.gz ODSFNUADTYBKKY-OAHLLOKOSA-N 1 0 290.451 3.268 20 10 CGCDRO CCC[C@@H]1CCC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000093704770 640780058 /nfs/dbraw/zinc/78/00/58/640780058.db2.gz HUUORNLWTMLEAF-CYBMUJFWSA-N 1 0 263.381 3.413 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1Cc2ccccc2O1)c1cc(F)ccc1O ZINC000094617738 640799955 /nfs/dbraw/zinc/79/99/55/640799955.db2.gz NCMIOPFHSYPMFC-RISCZKNCSA-N 1 0 287.334 3.186 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H](C)C[C@H](O)c2ccco2)cc1C ZINC000305714038 640899655 /nfs/dbraw/zinc/89/96/55/640899655.db2.gz GKMVLJUNRZYXNU-BBRMVZONSA-N 1 0 289.375 3.204 20 10 CGCDRO CCCCC[C@H](O)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001253549736 806249723 /nfs/dbraw/zinc/24/97/23/806249723.db2.gz UEQZCRZEGGIJAV-SFHVURJKSA-N 1 0 290.451 3.318 20 10 CGCDRO COc1cc[nH+]c(NCc2c(C)cc(C)cc2O)c1 ZINC001160807737 806304357 /nfs/dbraw/zinc/30/43/57/806304357.db2.gz BCSDQCPDLGGZSM-UHFFFAOYSA-N 1 0 258.321 3.025 20 10 CGCDRO CO[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001254197309 806362865 /nfs/dbraw/zinc/36/28/65/806362865.db2.gz WWJAZYVASHWJKB-SJLPKXTDSA-N 1 0 288.435 3.192 20 10 CGCDRO Oc1cccc2c1C[N@@H+](C1CCC3(CC3)CC1)CC2 ZINC001254445282 806401027 /nfs/dbraw/zinc/40/10/27/806401027.db2.gz JLWYGWREVGSBHH-UHFFFAOYSA-N 1 0 257.377 3.473 20 10 CGCDRO CCOCc1cc(C[NH2+]C(C)(C)CF)ccc1OC ZINC001255059128 806534620 /nfs/dbraw/zinc/53/46/20/806534620.db2.gz QPNFNNGBWXUFFO-UHFFFAOYSA-N 1 0 269.360 3.069 20 10 CGCDRO COC[C@H](C)[NH2+][C@@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001255568195 806675166 /nfs/dbraw/zinc/67/51/66/806675166.db2.gz RWTAOBRPSINUSK-BLLLJJGKSA-N 1 0 277.408 3.257 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H](C)Cc2ccco2)c1O ZINC000036993837 798854132 /nfs/dbraw/zinc/85/41/32/798854132.db2.gz HDMVFDKQGUNAJV-LBPRGKRZSA-N 1 0 275.348 3.105 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCN2CCCC[C@H]12)c1ccccc1O ZINC000036996634 798854941 /nfs/dbraw/zinc/85/49/41/798854941.db2.gz VZSSWQBMEICTLX-HRCADAONSA-N 1 0 274.408 3.060 20 10 CGCDRO CC(=O)c1cc(F)cc(C[NH+]2[C@H](C)CCC[C@H]2C)c1O ZINC000037322759 798866483 /nfs/dbraw/zinc/86/64/83/798866483.db2.gz VEUUNBXNYXQNQT-GHMZBOCLSA-N 1 0 279.355 3.497 20 10 CGCDRO CC[C@@H]1CCC[N@@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000037914573 798879435 /nfs/dbraw/zinc/87/94/35/798879435.db2.gz CEZURTHEGMYBJK-CYBMUJFWSA-N 1 0 265.328 3.108 20 10 CGCDRO COc1ccc(C[NH+]2C[C@@H]3CCCC[C@H]3C2)c(O)c1 ZINC000093442225 798963431 /nfs/dbraw/zinc/96/34/31/798963431.db2.gz VUAWNKBGWRGSMK-STQMWFEESA-N 1 0 261.365 3.023 20 10 CGCDRO COCC1([NH2+]Cc2c(C)c3ccccc3n2C)CCC1 ZINC000378811554 799343355 /nfs/dbraw/zinc/34/33/55/799343355.db2.gz ZDOZVCSRXJEMHB-UHFFFAOYSA-N 1 0 272.392 3.145 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1CCC=CO1)c1ccc(N(C)C)cc1 ZINC000379987265 799355899 /nfs/dbraw/zinc/35/58/99/799355899.db2.gz MRYRAFKGVYBUEZ-CJNGLKHVSA-N 1 0 260.381 3.096 20 10 CGCDRO COC1(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)CCCC1 ZINC000380803500 799368026 /nfs/dbraw/zinc/36/80/26/799368026.db2.gz XELGINUOUHVXOE-CQSZACIVSA-N 1 0 276.424 3.362 20 10 CGCDRO COc1ccc(O)c(C[NH2+]Cc2csc(C)c2)c1 ZINC000381139678 799373151 /nfs/dbraw/zinc/37/31/51/799373151.db2.gz IWYUSCINOXPNAS-UHFFFAOYSA-N 1 0 263.362 3.061 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H](CO)C1CCCC1 ZINC000386230413 799433390 /nfs/dbraw/zinc/43/33/90/799433390.db2.gz WYXQMGWBHQWBLY-VHDGCEQUSA-N 1 0 289.419 3.390 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CC3CCC2CC3)c1 ZINC000389029105 799458825 /nfs/dbraw/zinc/45/88/25/799458825.db2.gz ADTQCQAIQLEUGR-KOHJWAIASA-N 1 0 261.365 3.069 20 10 CGCDRO Cc1cc(C[NH2+]Cc2ccc3c(c2)CCCN3C)ccn1 ZINC000391177088 799476711 /nfs/dbraw/zinc/47/67/11/799476711.db2.gz ITDQLGDGWSMNIA-UHFFFAOYSA-N 1 0 281.403 3.062 20 10 CGCDRO CCOc1cccc(C[NH2+][C@]2(C)CC=CCC2)c1O ZINC000398440016 799531226 /nfs/dbraw/zinc/53/12/26/799531226.db2.gz XLHBXMKAPQOQKQ-MRXNPFEDSA-N 1 0 261.365 3.379 20 10 CGCDRO CC[C@@H]([NH2+]CCC[C@@H]1CCOC1)c1ccccc1O ZINC000402058002 799560160 /nfs/dbraw/zinc/56/01/60/799560160.db2.gz SEKKVYLMUJCZCV-UKRRQHHQSA-N 1 0 263.381 3.250 20 10 CGCDRO CC[C@@H](C[NH2+]Cc1cc(OC)ccc1O)CC(F)(F)F ZINC000402587024 799563503 /nfs/dbraw/zinc/56/35/03/799563503.db2.gz XUDONKUYWBJWHU-SNVBAGLBSA-N 1 0 291.313 3.469 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403504849 799567253 /nfs/dbraw/zinc/56/72/53/799567253.db2.gz ZRHXFLSEKZUZBD-GIPNMCIBSA-N 1 0 251.757 3.324 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CC(C)(C)OC[C@@H]2CC)c1O ZINC000403916404 799572408 /nfs/dbraw/zinc/57/24/08/799572408.db2.gz OVKRRMNNMDFXIT-AWEZNQCLSA-N 1 0 293.407 3.180 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2COC3(CCC3)C2)c(O)c1 ZINC000688285665 799746972 /nfs/dbraw/zinc/74/69/72/799746972.db2.gz ZJBSGQKZHSBDHP-CHWSQXEVSA-N 1 0 261.365 3.063 20 10 CGCDRO CC[C@H]([NH2+]C[C@H]1CCN1C(C)(C)C)c1ccccc1O ZINC000690377600 799776345 /nfs/dbraw/zinc/77/63/45/799776345.db2.gz UZXVZJKFJNFPDB-HIFRSBDPSA-N 1 0 276.424 3.306 20 10 CGCDRO CC[C@H](C)[NH2+]Cc1ccc(Br)cc1O ZINC000691394092 799783291 /nfs/dbraw/zinc/78/32/91/799783291.db2.gz ZUIANJAHROIKJR-QMMMGPOBSA-N 1 0 258.159 3.043 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@H](OC)[C@H](C)CC)c1O ZINC000691442792 799783394 /nfs/dbraw/zinc/78/33/94/799783394.db2.gz DFLLSQDIOQRNRI-DOMZBBRYSA-N 1 0 265.397 3.105 20 10 CGCDRO CCc1cccc(C[NH2+]Cc2ccc(C)c(C)n2)c1O ZINC000691463465 799783445 /nfs/dbraw/zinc/78/34/45/799783445.db2.gz GISFQLHKCKLRMM-UHFFFAOYSA-N 1 0 270.376 3.256 20 10 CGCDRO CCCCOCCC[NH2+]Cc1cccc(CC)c1O ZINC000691437669 799784352 /nfs/dbraw/zinc/78/43/52/799784352.db2.gz LOXIDIXJRROIGI-UHFFFAOYSA-N 1 0 265.397 3.251 20 10 CGCDRO CO[C@H](C[NH2+]Cc1ccc(N(C)C)cc1)C1CCCC1 ZINC000692974471 799806092 /nfs/dbraw/zinc/80/60/92/799806092.db2.gz FUKZOZREMYUDOQ-QGZVFWFLSA-N 1 0 276.424 3.047 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCOC2(C)C)c1 ZINC000693078697 799806706 /nfs/dbraw/zinc/80/67/06/799806706.db2.gz LWPJIBTWQWQPAL-CHWSQXEVSA-N 1 0 263.381 3.166 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)Cc1ccccn1)c1ccccc1O ZINC000693999286 799819344 /nfs/dbraw/zinc/81/93/44/799819344.db2.gz FGHLPLLLQKJXQR-BBRMVZONSA-N 1 0 270.376 3.459 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)Cc2ccccn2)c1 ZINC000694001267 799819601 /nfs/dbraw/zinc/81/96/01/799819601.db2.gz VQYLCCXVMAOASH-UONOGXRCSA-N 1 0 270.376 3.377 20 10 CGCDRO Oc1ccc(Br)cc1C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000694268476 799820891 /nfs/dbraw/zinc/82/08/91/799820891.db2.gz YDGAGQITFSXNAC-JIMOISOXSA-N 1 0 296.208 3.433 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2O)C[C@H](C)O1 ZINC000694790673 799823980 /nfs/dbraw/zinc/82/39/80/799823980.db2.gz UXHMYINHGCVLCA-DDFAGTSDSA-N 1 0 269.772 3.091 20 10 CGCDRO CCC(C)(C)[C@H](C)[NH2+]Cc1cccc(OC)c1O ZINC000695106479 799826085 /nfs/dbraw/zinc/82/60/85/799826085.db2.gz KLLODQGBCSOYPP-NSHDSACASA-N 1 0 251.370 3.315 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@H]2CCCC(F)(F)C2)c1 ZINC000695128006 799826972 /nfs/dbraw/zinc/82/69/72/799826972.db2.gz TVFQSRGFFHPYBU-NSHDSACASA-N 1 0 271.307 3.068 20 10 CGCDRO CCCN(Cc1ccnc(C)c1)c1ccc(C[NH3+])cc1 ZINC000697888111 799850525 /nfs/dbraw/zinc/85/05/25/799850525.db2.gz MKMPTTBZWTUOPM-UHFFFAOYSA-N 1 0 269.392 3.265 20 10 CGCDRO FC1(F)C[C@@H]1CC[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000701973921 799901087 /nfs/dbraw/zinc/90/10/87/799901087.db2.gz ZUTHCAKPLZMHNL-AWEZNQCLSA-N 1 0 280.362 3.422 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCC2(F)CCC2)c1 ZINC000702471192 799909747 /nfs/dbraw/zinc/90/97/47/799909747.db2.gz JKPTXZNEXZVLAM-NSHDSACASA-N 1 0 267.344 3.334 20 10 CGCDRO CO[C@H](C[NH2+][C@@H]1CCc2cccc(O)c21)C1CCCC1 ZINC000703093433 799919460 /nfs/dbraw/zinc/91/94/60/799919460.db2.gz KVMPPAZQLAUAOD-GDBMZVCRSA-N 1 0 275.392 3.174 20 10 CGCDRO CC[C@@H]([NH2+]C1CCC(OC)CC1)c1ccccc1O ZINC000703832366 799931364 /nfs/dbraw/zinc/93/13/64/799931364.db2.gz TVDYDSCRQQZYQM-SSDMNJCBSA-N 1 0 263.381 3.391 20 10 CGCDRO C[C@@H]1CC[C@H]([NH2+]Cc2c(O)cccc2Br)C1 ZINC000706853877 799967410 /nfs/dbraw/zinc/96/74/10/799967410.db2.gz GWTSTXHZQSWLHJ-ZJUUUORDSA-N 1 0 284.197 3.433 20 10 CGCDRO C[C@H]1CCC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000707128908 799973821 /nfs/dbraw/zinc/97/38/21/799973821.db2.gz CLKAATXTXWDRDA-JTQLQIEISA-N 1 0 284.197 3.387 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(O)cc2O)CC(C)(C)C1 ZINC000708340887 799987308 /nfs/dbraw/zinc/98/73/08/799987308.db2.gz LAAUUKSALJJAHN-YPMHNXCESA-N 1 0 263.381 3.402 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCc2ccns2)c1 ZINC000710009947 800026901 /nfs/dbraw/zinc/02/69/01/800026901.db2.gz MZJDMWWRFWLUKY-NSHDSACASA-N 1 0 262.378 3.050 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+][C@]23C[C@H]2CCCC3)c1O ZINC000710545922 800036118 /nfs/dbraw/zinc/03/61/18/800036118.db2.gz MLWSWYJQPZIWDA-IAQYHMDHSA-N 1 0 281.783 3.477 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1CCC2(CCC2)O1)c1ccccc1O ZINC000711511795 800065104 /nfs/dbraw/zinc/06/51/04/800065104.db2.gz BBNZNWLFZAVNKP-OLZOCXBDSA-N 1 0 261.365 3.145 20 10 CGCDRO C[C@@H]([NH2+]CC[C@H]1CCCS1)c1cc(F)ccc1O ZINC000715713938 800144467 /nfs/dbraw/zinc/14/44/67/800144467.db2.gz BMBXKFAPNQWFBO-ZYHUDNBSSA-N 1 0 269.385 3.468 20 10 CGCDRO CCOc1cccc(C[NH2+]CC[C@H]2CCCS2)c1O ZINC000715754985 800146173 /nfs/dbraw/zinc/14/61/73/800146173.db2.gz OZNGIJPZTSXWKY-CYBMUJFWSA-N 1 0 281.421 3.166 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](C)CC2(C)OCCO2)c(O)c1 ZINC000715996425 800158601 /nfs/dbraw/zinc/15/86/01/800158601.db2.gz GYLPNNLAKPDHRY-KBPBESRZSA-N 1 0 293.407 3.140 20 10 CGCDRO C[C@H]([NH2+]CC[C@H]1CC(C)(C)CO1)c1ccccc1O ZINC000717333554 800200828 /nfs/dbraw/zinc/20/08/28/800200828.db2.gz WMODQVBOXPNCAY-STQMWFEESA-N 1 0 263.381 3.248 20 10 CGCDRO COC(C)(C)[C@H](C)[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000720202344 800253636 /nfs/dbraw/zinc/25/36/36/800253636.db2.gz FTHXZMXRSXDNLU-RYUDHWBXSA-N 1 0 251.370 3.165 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@]2(C)CC2(F)F)c(Cl)c1 ZINC000850379527 800517886 /nfs/dbraw/zinc/51/78/86/800517886.db2.gz SHJNXDTZDLGNLB-LBPRGKRZSA-N 1 0 275.726 3.489 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@@H](C(C)C)C2CC2)c1O ZINC000895331976 800582054 /nfs/dbraw/zinc/58/20/54/800582054.db2.gz DFCRUYBWFNIJFE-HNNXBMFYSA-N 1 0 263.381 3.233 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH+]1CC(CC2CCOCC2)C1 ZINC001119517064 802675925 /nfs/dbraw/zinc/67/59/25/802675925.db2.gz MTRXVWDVWXFTDP-UHFFFAOYSA-N 1 0 295.810 3.294 20 10 CGCDRO Cc1cc(C[NH+]2CC3(CC(O)C3)C2)c(C)n1-c1ccccc1 ZINC001137854388 803785736 /nfs/dbraw/zinc/78/57/36/803785736.db2.gz UPLSXNZKFRIKGP-UHFFFAOYSA-N 1 0 296.414 3.051 20 10 CGCDRO Cc1cc(C[N@H+]2CC[C@@H](C)[C@H](O)C2)c(C)n1-c1ccccc1 ZINC001137854313 803786696 /nfs/dbraw/zinc/78/66/96/803786696.db2.gz QYMVVIVNNSVFJQ-AUUYWEPGSA-N 1 0 298.430 3.297 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(-c2ccncc2C[NH3+])cn1 ZINC001245559730 803813120 /nfs/dbraw/zinc/81/31/20/803813120.db2.gz KMJVGYBVPPHAGD-UHFFFAOYSA-N 1 0 278.359 3.010 20 10 CGCDRO Cc1c(C[N@@H+]2CC[C@@]3(CCOC3)C2)c2ccccc2n1C ZINC001138252519 803878882 /nfs/dbraw/zinc/87/88/82/803878882.db2.gz JOUWPSSNVLQUGT-GOSISDBHSA-N 1 0 284.403 3.099 20 10 CGCDRO Cc1c(C[N@@H+]2C[C@@H]3CCCC(=O)[C@@H]3C2)c2ccccc2n1C ZINC001138260626 803884193 /nfs/dbraw/zinc/88/41/93/803884193.db2.gz NCJHGNQWZFLGSW-WMLDXEAASA-N 1 0 296.414 3.288 20 10 CGCDRO Cc1c(CN2CCC[C@@H]3C[N@H+](C)C[C@H]32)c2ccccc2n1C ZINC001138257965 803884671 /nfs/dbraw/zinc/88/46/71/803884671.db2.gz FUNCTPDDLNQMNR-DNVCBOLYSA-N 1 0 297.446 3.013 20 10 CGCDRO C[C@@H]1CCC[N@H+](Cc2ccc3c(c2)CCCN3C)C1 ZINC001138353519 803900012 /nfs/dbraw/zinc/90/00/12/803900012.db2.gz DSKYWTXLYYFDKW-CQSZACIVSA-N 1 0 258.409 3.301 20 10 CGCDRO CN1CCCc2cc(C[N@H+](C)Cc3ccccn3)ccc21 ZINC001138354724 803901232 /nfs/dbraw/zinc/90/12/32/803901232.db2.gz ROUCCHVYMZVTIB-UHFFFAOYSA-N 1 0 281.403 3.096 20 10 CGCDRO Cn1ccc2cc(C[N@@H+]3CCc4cccc(O)c4C3)ccc21 ZINC001139191686 804153187 /nfs/dbraw/zinc/15/31/87/804153187.db2.gz FQPHWGPBYWXFNV-UHFFFAOYSA-N 1 0 292.382 3.442 20 10 CGCDRO Cc1cc(C[NH+]2CCC(CF)CC2)ccc1N(C)C ZINC001139672815 804247007 /nfs/dbraw/zinc/24/70/07/804247007.db2.gz HDPCRLZSIYNAEL-UHFFFAOYSA-N 1 0 264.388 3.243 20 10 CGCDRO Cc1cc(C[NH+]2CC3(C2)C[C@@H](F)CS3)ccc1N(C)C ZINC001139673836 804247097 /nfs/dbraw/zinc/24/70/97/804247097.db2.gz LDZBXZQPOSTUSV-CQSZACIVSA-N 1 0 294.439 3.090 20 10 CGCDRO Cc1nc2cc(C)ccn2c1C[N@@H+](C)Cc1ccccc1O ZINC001139679962 804249052 /nfs/dbraw/zinc/24/90/52/804249052.db2.gz LDHRIWYIDHDEPW-UHFFFAOYSA-N 1 0 295.386 3.289 20 10 CGCDRO CCCC[NH+]1CCC([N@H+](C)Cc2cc(F)ccc2O)CC1 ZINC001140056050 804361953 /nfs/dbraw/zinc/36/19/53/804361953.db2.gz GGFOHXCCGFEJJO-UHFFFAOYSA-N 1 0 294.414 3.228 20 10 CGCDRO Cc1ccc(C)c(C[NH+]2CCC(n3ccnc3)CC2)c1O ZINC001140184528 804399738 /nfs/dbraw/zinc/39/97/38/804399738.db2.gz YHLXWNKBHTVEGB-UHFFFAOYSA-N 1 0 285.391 3.043 20 10 CGCDRO CO[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2O)CC1 ZINC001140466066 804442637 /nfs/dbraw/zinc/44/26/37/804442637.db2.gz VYEAOLBMCLXSHV-CYBMUJFWSA-N 1 0 269.772 3.047 20 10 CGCDRO CC[N@H+](Cc1cccnc1)Cc1cc(C)ccc1O ZINC001140620924 804476424 /nfs/dbraw/zinc/47/64/24/804476424.db2.gz HLTSKMNICHBIKW-UHFFFAOYSA-N 1 0 256.349 3.118 20 10 CGCDRO Cc1ccc(O)c(C[N@H+](C)C[C@@H]2Cc3ccccc3O2)c1 ZINC001140624128 804478304 /nfs/dbraw/zinc/47/83/04/804478304.db2.gz HJTYXBNMHVLULX-INIZCTEOSA-N 1 0 283.371 3.136 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](Oc3ncccc3C)C2)c1 ZINC001140624467 804478699 /nfs/dbraw/zinc/47/86/99/804478699.db2.gz XTWFHOWRGXWUGJ-MRXNPFEDSA-N 1 0 298.386 3.057 20 10 CGCDRO Cc1c(O)ccc(C[N@H+](C)CCCc2ccccc2)c1O ZINC001140745365 804502939 /nfs/dbraw/zinc/50/29/39/804502939.db2.gz HEAVEZLYIUVKQG-UHFFFAOYSA-N 1 0 285.387 3.471 20 10 CGCDRO CC[C@@H](C)[N@H+](C)Cc1ccc(N(CC)CC)cc1O ZINC001140852921 804533175 /nfs/dbraw/zinc/53/31/75/804533175.db2.gz FGLYSPYOZLBHJE-CYBMUJFWSA-N 1 0 264.413 3.469 20 10 CGCDRO CCN(CC)c1ccc(C[NH+]2CCC(CF)CC2)c(O)c1 ZINC001140855435 804533302 /nfs/dbraw/zinc/53/33/02/804533302.db2.gz YWWNHBWJVXOCNG-UHFFFAOYSA-N 1 0 294.414 3.420 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2Cl)C1 ZINC001140921303 804548899 /nfs/dbraw/zinc/54/88/99/804548899.db2.gz APUPOQKVPQBVNU-LLVKDONJSA-N 1 0 252.789 3.248 20 10 CGCDRO CO[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2Cl)[C@H](C)C1 ZINC001140927518 804551139 /nfs/dbraw/zinc/55/11/39/804551139.db2.gz SWFCOBINNGCTQN-IUODEOHRSA-N 1 0 296.842 3.405 20 10 CGCDRO Cc1ccc(C[N@@H+]2CC[C@H](c3ccncc3)C2)c(O)c1 ZINC001140949830 804556711 /nfs/dbraw/zinc/55/67/11/804556711.db2.gz MUSAGHMEDJMTEQ-HNNXBMFYSA-N 1 0 268.360 3.085 20 10 CGCDRO Cc1ccc(C[N@H+](C)Cc2cccc3c2OCO3)c(O)c1 ZINC001140954758 804557543 /nfs/dbraw/zinc/55/75/43/804557543.db2.gz YBORBVILCLBWPB-UHFFFAOYSA-N 1 0 285.343 3.061 20 10 CGCDRO C[N@H+](Cc1ccc2cccc(O)c2n1)Cc1ccccc1O ZINC001141024322 804572997 /nfs/dbraw/zinc/57/29/97/804572997.db2.gz MFQJBHPPCOBFCW-UHFFFAOYSA-N 1 0 294.354 3.278 20 10 CGCDRO CCC(CC)[N@H+](CC)Cc1c(O)cc(OC)cc1OC ZINC001141028841 804575164 /nfs/dbraw/zinc/57/51/64/804575164.db2.gz BPRYEKNRNNWEEJ-UHFFFAOYSA-N 1 0 281.396 3.420 20 10 CGCDRO CC[C@H]1CCC[N@H+](Cc2ccc3c(c2)OCCN3C)C1 ZINC001141143949 804597124 /nfs/dbraw/zinc/59/71/24/804597124.db2.gz PLTKQDWJMUHELN-AWEZNQCLSA-N 1 0 274.408 3.137 20 10 CGCDRO CN1CCOc2cc(C[NH+]3C[C@H]4CCCC[C@@H]4C3)ccc21 ZINC001141141505 804597261 /nfs/dbraw/zinc/59/72/61/804597261.db2.gz ZFOQLPNRISGMNR-HZPDHXFCSA-N 1 0 286.419 3.137 20 10 CGCDRO C[C@H]1CCCC[N@H+](Cc2ccc3c(c2)OCCN3C)C1 ZINC001141141510 804597455 /nfs/dbraw/zinc/59/74/55/804597455.db2.gz ZIUCHGOUVUTKQA-AWEZNQCLSA-N 1 0 274.408 3.137 20 10 CGCDRO COC[C@@H]1CC[N@H+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143104601 804801181 /nfs/dbraw/zinc/80/11/81/804801181.db2.gz WCBPDLCDXKFINX-CYBMUJFWSA-N 1 0 277.408 3.158 20 10 CGCDRO CN1CCC([N@H+](C)Cc2cccc(C(C)(C)C)c2O)CC1 ZINC001143103686 804801843 /nfs/dbraw/zinc/80/18/43/804801843.db2.gz IVBUDUWDALPGDM-UHFFFAOYSA-N 1 0 290.451 3.216 20 10 CGCDRO CC(C)(C)c1cccc(C[N@@H+]2CCC[C@@]23CCOC3)c1O ZINC001143112311 804803252 /nfs/dbraw/zinc/80/32/52/804803252.db2.gz PSHYLNSTRXANER-SFHVURJKSA-N 1 0 289.419 3.445 20 10 CGCDRO CC(C)(C)c1cccc(C[N@@H+]2CC[C@H]3OCC[C@H]3C2)c1O ZINC001143111926 804804027 /nfs/dbraw/zinc/80/40/27/804804027.db2.gz IJGNHURTQHSCEB-XJKSGUPXSA-N 1 0 289.419 3.301 20 10 CGCDRO CC(=O)[C@@H]1CC[N@H+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143112016 804804350 /nfs/dbraw/zinc/80/43/50/804804350.db2.gz IYLMQVUWQLIASS-CYBMUJFWSA-N 1 0 275.392 3.101 20 10 CGCDRO COc1c(F)ccc(C[N@H+](C)Cc2ccccc2O)c1F ZINC001143329645 804837327 /nfs/dbraw/zinc/83/73/27/804837327.db2.gz YAOAFLUPKSOIJZ-UHFFFAOYSA-N 1 0 293.313 3.311 20 10 CGCDRO Cc1noc2ccc(C[N@@H+](C)Cc3ccccc3O)cc12 ZINC001248708892 804972362 /nfs/dbraw/zinc/97/23/62/804972362.db2.gz OVOONSDHBRBSET-UHFFFAOYSA-N 1 0 282.343 3.474 20 10 CGCDRO Cc1cc(C[N@@H+](C)C(C)C)c(O)cc1Br ZINC001250116926 805425787 /nfs/dbraw/zinc/42/57/87/805425787.db2.gz IQDKKNXRJQMRKS-UHFFFAOYSA-N 1 0 272.186 3.303 20 10 CGCDRO CC(C)C[C@@H](C)C[C@@H](C)[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC001258065589 807284627 /nfs/dbraw/zinc/28/46/27/807284627.db2.gz MDKHCGIJVVTBEZ-CHWSQXEVSA-N 1 0 293.407 3.331 20 10 CGCDRO C[N@H+](Cc1ccccc1O)C1CCN(c2ccccc2)CC1 ZINC001258515115 807483515 /nfs/dbraw/zinc/48/35/15/807483515.db2.gz HPDIXSQZOYMMCM-UHFFFAOYSA-N 1 0 296.414 3.493 20 10 CGCDRO Oc1ccc(CNc2cccc(C3=[NH+]CCC3)c2)cc1O ZINC001169996760 807736218 /nfs/dbraw/zinc/73/62/18/807736218.db2.gz KEJYFKQFNSXXHI-UHFFFAOYSA-N 1 0 282.343 3.293 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](F)C2)c1O ZINC001261515791 807754406 /nfs/dbraw/zinc/75/44/06/807754406.db2.gz UJYIXBTZLKULIO-QJPTWQEYSA-N 1 0 267.344 3.332 20 10 CGCDRO CC(C)CC[C@H](CO)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001261790026 807787704 /nfs/dbraw/zinc/78/77/04/807787704.db2.gz YFESXYHZZBMCMG-QGZVFWFLSA-N 1 0 290.451 3.174 20 10 CGCDRO CC[C@H]1C[C@H]([NH2+]Cc2c(C)cc(C)cc2O)CCO1 ZINC001170184973 807788567 /nfs/dbraw/zinc/78/85/67/807788567.db2.gz ZHHNRKJYHBBQQS-KGLIPLIRSA-N 1 0 263.381 3.056 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2Cc3cccc(F)c3C2)cc1C ZINC001171783496 808139413 /nfs/dbraw/zinc/13/94/13/808139413.db2.gz SCDYVKKSIGPKEK-OAHLLOKOSA-N 1 0 285.362 3.400 20 10 CGCDRO CC[C@@H](C)OCC[C@H](C)[N@@H+]1CCc2cccc(O)c2C1 ZINC001172345058 808244091 /nfs/dbraw/zinc/24/40/91/808244091.db2.gz DNXZTSIRPUZEQW-UONOGXRCSA-N 1 0 277.408 3.344 20 10 CGCDRO CCSC[C@@H](C)[NH2+]Cc1c(C)cc(C)cc1O ZINC001173298566 808598116 /nfs/dbraw/zinc/59/81/16/808598116.db2.gz NFXZSANFSQHGCT-GFCCVEGCSA-N 1 0 253.411 3.240 20 10 CGCDRO COC(=O)CCCC[C@H](C)[NH2+]Cc1c(C)cc(C)cc1O ZINC001173447045 808638589 /nfs/dbraw/zinc/63/85/89/808638589.db2.gz ZGDGLADAVLVQHY-AWEZNQCLSA-N 1 0 293.407 3.221 20 10 CGCDRO CCOc1ccc(N2CCC[C@]3(CCC[N@H+](C)C3)C2)cc1 ZINC001276926122 809045339 /nfs/dbraw/zinc/04/53/39/809045339.db2.gz OADFFLYFCIDLHS-SFHVURJKSA-N 1 0 288.435 3.398 20 10 CGCDRO Cc1c[nH+]ccc1Nc1c(O)ccc2ccccc21 ZINC001174539635 809072722 /nfs/dbraw/zinc/07/27/22/809072722.db2.gz NZWXJBVCCJRFGM-UHFFFAOYSA-N 1 0 250.301 3.414 20 10 CGCDRO Cc1c[nH+]ccc1Nc1cc(C(F)(F)F)ccc1O ZINC001174539642 809072889 /nfs/dbraw/zinc/07/28/89/809072889.db2.gz OIHNODBSIHJMSE-UHFFFAOYSA-N 1 0 268.238 3.280 20 10 CGCDRO Fc1cccc(CC[NH2+]Cc2ccc3c(c2)CCCO3)c1 ZINC001177143497 809783386 /nfs/dbraw/zinc/78/33/86/809783386.db2.gz WMUKJDOSXTXUES-UHFFFAOYSA-N 1 0 285.362 3.483 20 10 CGCDRO CCCOc1ccc(C[NH2+]CC2(CO)CCCC2)cc1C ZINC001179160369 809907675 /nfs/dbraw/zinc/90/76/75/809907675.db2.gz VVMKHLIQMVWECR-UHFFFAOYSA-N 1 0 291.435 3.426 20 10 CGCDRO COc1cc(C)c(C[N@H+](C)Cc2ccccc2)c(O)c1 ZINC001179845083 809951408 /nfs/dbraw/zinc/95/14/08/809951408.db2.gz KBDGNVWUWORBCV-UHFFFAOYSA-N 1 0 271.360 3.341 20 10 CGCDRO COCC[N@H+](Cc1ccc(Cl)cc1O)C1CCCC1 ZINC001179859202 809952290 /nfs/dbraw/zinc/95/22/90/809952290.db2.gz MQWXXMVTAAEUKP-UHFFFAOYSA-N 1 0 283.799 3.437 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H]1C1CC1 ZINC001180002472 809967405 /nfs/dbraw/zinc/96/74/05/809967405.db2.gz WZVKZDNNJWTHHT-KRWDZBQOSA-N 1 0 258.409 3.435 20 10 CGCDRO Cc1ccc(C[N@H+]2Cc3ccccc3OC[C@@H]2C)c(O)c1 ZINC001180812212 810022641 /nfs/dbraw/zinc/02/26/41/810022641.db2.gz XGTAMBZZKRHTFZ-AWEZNQCLSA-N 1 0 283.371 3.484 20 10 CGCDRO [O-]c1cc(F)c(F)cc1C[NH2+][C@@H](C1CC1)C1CCC1 ZINC001182204392 810098772 /nfs/dbraw/zinc/09/87/72/810098772.db2.gz QZCVSYPXXPSNGA-OAHLLOKOSA-N 1 0 267.319 3.339 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+][C@H]2[C@@H](C)[C@H](C)O[C@H]2C)c1 ZINC001183311402 810144491 /nfs/dbraw/zinc/14/44/91/810144491.db2.gz CDSWWCPUXYBGEP-MRHIQRDNSA-N 1 0 277.408 3.417 20 10 CGCDRO Oc1cc(Br)ccc1C[NH2+][C@@H]1C[C@@H]2CCC[C@H]12 ZINC001184250160 810184948 /nfs/dbraw/zinc/18/49/48/810184948.db2.gz CRHPCAWSWPJJIN-TVYUQYBPSA-N 1 0 296.208 3.433 20 10 CGCDRO C[C@@H]([NH2+]CC1CCCC1)c1ccc(N2CCOCC2)cc1 ZINC001192890941 810826250 /nfs/dbraw/zinc/82/62/50/810826250.db2.gz RMORJIYSQXSLKQ-OAHLLOKOSA-N 1 0 288.435 3.364 20 10 CGCDRO COc1ccc(CN[C@H](c2nc(C)no2)C(C)C)cc1C ZINC001198872628 811549659 /nfs/dbraw/zinc/54/96/59/811549659.db2.gz QSBOQGWZXIZVDZ-HNNXBMFYSA-N 1 0 289.379 3.182 20 10 CGCDRO CCCOc1ccc(C[NH2+]C2(CO)CCCC2)cc1C ZINC001200942552 811770094 /nfs/dbraw/zinc/77/00/94/811770094.db2.gz UNTVPMHBDQNVLI-UHFFFAOYSA-N 1 0 277.408 3.179 20 10 CGCDRO COC[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccccc1 ZINC001201502168 811871148 /nfs/dbraw/zinc/87/11/48/811871148.db2.gz KDUPNZJYDWRQQO-KRWDZBQOSA-N 1 0 283.371 3.099 20 10 CGCDRO CC[C@@H](C)C[C@@H](CO)[NH2+]Cc1c(C)c2ccccc2n1C ZINC001202921708 812200988 /nfs/dbraw/zinc/20/09/88/812200988.db2.gz IHGAGWADWNQSGK-HIFRSBDPSA-N 1 0 288.435 3.373 20 10 CGCDRO CN1CCC([N@H+](Cc2ccccc2O)C2CCCC2)CC1 ZINC001203562955 812394949 /nfs/dbraw/zinc/39/49/49/812394949.db2.gz QVWSUGBVYTZLDZ-UHFFFAOYSA-N 1 0 288.435 3.231 20 10 CGCDRO COc1cccc(C[N@@H+]2CCC[C@@H](C)[C@H](C)C2)c1O ZINC001203586101 812401524 /nfs/dbraw/zinc/40/15/24/812401524.db2.gz YLXWDSGRWNNSAI-CHWSQXEVSA-N 1 0 263.381 3.269 20 10 CGCDRO COc1ccc(C[NH+]2CCC3(CCC3)CC2)c(O)c1 ZINC001203621696 812409356 /nfs/dbraw/zinc/40/93/56/812409356.db2.gz YZVUARUWXFRSLY-UHFFFAOYSA-N 1 0 261.365 3.167 20 10 CGCDRO COc1ccc(C[NH+]2CCC(c3ccncc3)CC2)c(O)c1 ZINC001203630780 812412353 /nfs/dbraw/zinc/41/23/53/812412353.db2.gz VEXDWLFNWUHLFT-UHFFFAOYSA-N 1 0 298.386 3.175 20 10 CGCDRO COc1ccc(C[N@H+](C)CCc2cccc(F)c2)c(O)c1 ZINC001203634790 812412419 /nfs/dbraw/zinc/41/24/19/812412419.db2.gz VEZKOKSLTHUISS-UHFFFAOYSA-N 1 0 289.350 3.214 20 10 CGCDRO CC1(C)C[N@H+](Cc2cc(Cl)ccc2O)[C@@](C)(CO)C1 ZINC001203651868 812415216 /nfs/dbraw/zinc/41/52/16/812415216.db2.gz YOTQNAKAPKDMNE-OAHLLOKOSA-N 1 0 283.799 3.029 20 10 CGCDRO CC(C)[N@H+](CCCCCO)Cc1cc(Cl)ccc1O ZINC001203664543 812422362 /nfs/dbraw/zinc/42/23/62/812422362.db2.gz JUFDKCYTFWMGSO-UHFFFAOYSA-N 1 0 285.815 3.419 20 10 CGCDRO Cc1ccccc1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001203708829 812435928 /nfs/dbraw/zinc/43/59/28/812435928.db2.gz QEQCJQAWZCVKMM-UHFFFAOYSA-N 1 0 253.345 3.259 20 10 CGCDRO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(O)c(O)c2)cc1 ZINC001203879713 812478641 /nfs/dbraw/zinc/47/86/41/812478641.db2.gz ZAZDIDKTHVMKHN-INIZCTEOSA-N 1 0 299.370 3.444 20 10 CGCDRO CCN(CC)c1ccc(C[NH+]2CCC(F)CC2)cc1 ZINC001203936073 812495839 /nfs/dbraw/zinc/49/58/39/812495839.db2.gz ILDUQLWUMUVYOR-UHFFFAOYSA-N 1 0 264.388 3.467 20 10 CGCDRO CCC[N@H+](Cc1ccc(N(C)C)cc1)C1CCOCC1 ZINC001203936645 812496063 /nfs/dbraw/zinc/49/60/63/812496063.db2.gz ISPLXLSQUOVVHO-UHFFFAOYSA-N 1 0 276.424 3.144 20 10 CGCDRO CN(C)c1ccc(C[NH+]2CC3(C2)CC(F)(F)CS3)cc1 ZINC001203936209 812496648 /nfs/dbraw/zinc/49/66/48/812496648.db2.gz AWVWVNWHVIWNSH-UHFFFAOYSA-N 1 0 298.402 3.079 20 10 CGCDRO CC[N@H+](Cc1cccc(OC)c1)Cc1ccc(O)cc1O ZINC001204279598 812593533 /nfs/dbraw/zinc/59/35/33/812593533.db2.gz BVCCSMMTAVMSTM-UHFFFAOYSA-N 1 0 287.359 3.129 20 10 CGCDRO Oc1ccc(C[N@@H+]2CCC[C@H](c3ccccc3)C2)c(O)c1 ZINC001204274941 812594536 /nfs/dbraw/zinc/59/45/36/812594536.db2.gz JVYXLJOJOYVGBY-HNNXBMFYSA-N 1 0 283.371 3.477 20 10 CGCDRO Oc1ccc(C[N@@H+]2CC[C@H]2c2ccccc2)c(O)c1 ZINC001204278903 812594939 /nfs/dbraw/zinc/59/49/39/812594939.db2.gz MMQFPBURUVNLHQ-HNNXBMFYSA-N 1 0 255.317 3.045 20 10 CGCDRO CC(=O)C1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204320913 812611341 /nfs/dbraw/zinc/61/13/41/812611341.db2.gz DHCLGAJSPYXMMF-UHFFFAOYSA-N 1 0 286.419 3.088 20 10 CGCDRO F[C@@H]1CCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204327395 812614373 /nfs/dbraw/zinc/61/43/73/812614373.db2.gz SCGKBZVRWYSEFV-OAHLLOKOSA-N 1 0 262.372 3.221 20 10 CGCDRO O=C1CCC[C@@H]2C[N@H+](Cc3ccc(N4CCCC4)cc3)C[C@H]12 ZINC001204329334 812615051 /nfs/dbraw/zinc/61/50/51/812615051.db2.gz MQRTVHZDHJLQGV-AEFFLSMTSA-N 1 0 298.430 3.088 20 10 CGCDRO Oc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC001204333289 812616798 /nfs/dbraw/zinc/61/67/98/812616798.db2.gz ARWLZDGYFSMVTJ-OCCSQVGLSA-N 1 0 281.783 3.047 20 10 CGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)c1 ZINC001204594035 812684257 /nfs/dbraw/zinc/68/42/57/812684257.db2.gz WIAOQDQIRDTBBJ-HOTGVXAUSA-N 1 0 289.419 3.374 20 10 CGCDRO C[C@H]1CC[C@@H](CN)[N@@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001205064882 812843670 /nfs/dbraw/zinc/84/36/70/812843670.db2.gz ZKHKZYGEMCTPMV-HOCLYGCPSA-N 1 0 297.446 3.217 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCn2cccc2[C@@H]1C ZINC001205093592 812858425 /nfs/dbraw/zinc/85/84/25/812858425.db2.gz JKMYUVIIDURLLY-HNNXBMFYSA-N 1 0 283.419 3.439 20 10 CGCDRO Cc1ccc(C[N@H+](C)CCOc2ccccc2F)c(O)c1 ZINC001205114551 812873170 /nfs/dbraw/zinc/87/31/70/812873170.db2.gz IJIXPSMPKCDTDI-UHFFFAOYSA-N 1 0 289.350 3.351 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCOC3(CCCCC3)C2)c1O ZINC001205642489 813037582 /nfs/dbraw/zinc/03/75/82/813037582.db2.gz KNPWFKMBRNALSV-UHFFFAOYSA-N 1 0 289.419 3.490 20 10 CGCDRO CO[C@H]([C@H](C)[NH2+]Cc1cc(C(C)C)ccc1O)C1CC1 ZINC001205811406 813090491 /nfs/dbraw/zinc/09/04/91/813090491.db2.gz CICRXNUPTSDKTC-YVEFUNNKSA-N 1 0 277.408 3.419 20 10 CGCDRO C[C@H]1CC[C@@H](CN)[N@H+](Cc2cc3ccccc3cc2O)C1 ZINC001205843082 813103942 /nfs/dbraw/zinc/10/39/42/813103942.db2.gz RDBRUNJARHXALO-GUYCJALGSA-N 1 0 284.403 3.105 20 10 CGCDRO C[C@@H]1CCN(Cc2cccc(-c3ccccc3)c2O)C[C@H]1[NH3+] ZINC001206043913 813179524 /nfs/dbraw/zinc/17/95/24/813179524.db2.gz ZNTZOXVOXPCOFH-RDTXWAMCSA-N 1 0 296.414 3.228 20 10 CGCDRO Cc1ccc(C[N@@H+]2Cc3ccccc3O[C@H](C)C2)c(O)c1 ZINC001206062908 813186988 /nfs/dbraw/zinc/18/69/88/813186988.db2.gz GCBDZFHEBTXWMP-CQSZACIVSA-N 1 0 283.371 3.484 20 10 CGCDRO COc1cc(C)c(C[NH2+]CC2CCC(F)CC2)c(O)c1 ZINC001206524091 813341615 /nfs/dbraw/zinc/34/16/15/813341615.db2.gz XSMGLTPAVVMLHQ-UHFFFAOYSA-N 1 0 281.371 3.327 20 10 CGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cccnc1OC ZINC001206595489 813368166 /nfs/dbraw/zinc/36/81/66/813368166.db2.gz FANUBWTXMVDDFF-UHFFFAOYSA-N 1 0 299.418 3.178 20 10 CGCDRO CC(C)(C)c1cc(O)c(CN2CC(C)(C[NH3+])C2)cc1Cl ZINC001206744578 813416825 /nfs/dbraw/zinc/41/68/25/813416825.db2.gz KCCJLMMTBSPNES-UHFFFAOYSA-N 1 0 296.842 3.124 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+][C@@H]2CCO[C@H]2C2CC2)c1 ZINC001207518599 813582912 /nfs/dbraw/zinc/58/29/12/813582912.db2.gz ICTMTONIXYGREX-WBVHZDCISA-N 1 0 275.392 3.173 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CC[C@](C)(CO)C2)cc1 ZINC001209516808 814071694 /nfs/dbraw/zinc/07/16/94/814071694.db2.gz PLGWDDLUCPARMH-IBGZPJMESA-N 1 0 298.430 3.298 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(C[N@H+]2CCCN(C)CC2)cc1 ZINC001209519412 814072408 /nfs/dbraw/zinc/07/24/08/814072408.db2.gz RZCYHFFYYAEMBY-UHFFFAOYSA-N 1 0 297.446 3.232 20 10 CGCDRO CC[N@H+](Cc1ccc(C)[nH]1)Cc1ccc(N(C)C)cc1 ZINC001209575886 814088359 /nfs/dbraw/zinc/08/83/59/814088359.db2.gz OCLUAZFYBKOGJH-UHFFFAOYSA-N 1 0 271.408 3.411 20 10 CGCDRO CC(C)[C@@H]([NH3+])Cc1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001217717070 815948100 /nfs/dbraw/zinc/94/81/00/815948100.db2.gz XCIZNJXIZUGAPF-HNNXBMFYSA-N 1 0 296.374 3.053 20 10 CGCDRO CCCCC[C@@H](C)Oc1ccc(N2CC[NH2+]CC2)cc1 ZINC001218211707 816129331 /nfs/dbraw/zinc/12/93/31/816129331.db2.gz BNNCEVFTUGZOQW-OAHLLOKOSA-N 1 0 276.424 3.444 20 10 CGCDRO CCN1CCc2cc(O[C@@H]3CC[NH2+]C4(CCC4)C3)ccc21 ZINC001218309675 816160392 /nfs/dbraw/zinc/16/03/92/816160392.db2.gz RFXFLRURXXAQHW-MRXNPFEDSA-N 1 0 286.419 3.123 20 10 CGCDRO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC001231586496 818129053 /nfs/dbraw/zinc/12/90/53/818129053.db2.gz IHNPCVKZBSUWDQ-GOSISDBHSA-N 1 0 299.370 3.073 20 10 CGCDRO Oc1ccc2ccccc2c1C[N@@H+]1CC[C@H]2OCC[C@@H]2C1 ZINC001231590687 818131506 /nfs/dbraw/zinc/13/15/06/818131506.db2.gz KRXMMLQJTRRPOI-RDTXWAMCSA-N 1 0 283.371 3.156 20 10 CGCDRO CC(=O)[C@@H]1CCCC[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC001231590515 818132224 /nfs/dbraw/zinc/13/22/24/818132224.db2.gz GARLVEXAQVQXOP-KRWDZBQOSA-N 1 0 283.371 3.489 20 10 CGCDRO COc1cc(C[N@@H+]2Cc3ccccc3C[C@H]2C)c(O)cc1O ZINC001231636916 818143625 /nfs/dbraw/zinc/14/36/25/818143625.db2.gz AOMSNKZMALQTDI-GFCCVEGCSA-N 1 0 299.370 3.053 20 10 CGCDRO Cc1cc(C)c(C[N@@H+]2CC[C@@](C)(F)[C@H](F)C2)c(O)c1 ZINC001231842197 818186449 /nfs/dbraw/zinc/18/64/49/818186449.db2.gz KQMWGXDQMUEQRS-HUUCEWRRSA-N 1 0 269.335 3.281 20 10 CGCDRO Cc1cc(C)c(C[N@@H+]2CCCC[C@@H](F)C2)c(O)c1 ZINC001231842560 818186536 /nfs/dbraw/zinc/18/65/36/818186536.db2.gz OEPUEEHFNQMFNS-CYBMUJFWSA-N 1 0 251.345 3.333 20 10 CGCDRO Cc1cc(C)c(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)c(O)c1 ZINC001231846547 818187418 /nfs/dbraw/zinc/18/74/18/818187418.db2.gz NXSUNCZQRIOTIR-CQSZACIVSA-N 1 0 267.319 3.240 20 10 CGCDRO Cc1cc(C)c(C[N@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)c(O)c1 ZINC001231845289 818187436 /nfs/dbraw/zinc/18/74/36/818187436.db2.gz XEGBBTMEGGXSQU-BETUJISGSA-N 1 0 281.346 3.486 20 10 CGCDRO Cc1cc(C)c(C[NH+]2CCC3(C[C@@H](F)CO3)CC2)c(O)c1 ZINC001231846082 818187442 /nfs/dbraw/zinc/18/74/42/818187442.db2.gz AIWOWZRQPVYGKJ-CQSZACIVSA-N 1 0 293.382 3.102 20 10 CGCDRO COc1cc(N(C)C)ccc1C[NH+]1CCC(C)(F)CC1 ZINC001231848691 818187767 /nfs/dbraw/zinc/18/77/67/818187767.db2.gz KBOATNCQFYVBJO-UHFFFAOYSA-N 1 0 280.387 3.085 20 10 CGCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H]2CCC[C@@H]2C1 ZINC001231851372 818189421 /nfs/dbraw/zinc/18/94/21/818189421.db2.gz GJGXRMSQCKIZQI-HUUCEWRRSA-N 1 0 288.435 3.383 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCCC23CC3)cc1Cl ZINC001231868999 818193326 /nfs/dbraw/zinc/19/33/26/818193326.db2.gz LKRASLQNAANOIJ-UHFFFAOYSA-N 1 0 251.757 3.482 20 10 CGCDRO C[C@H]1CC(=O)CC[N@@H+]1Cc1ccc2ccccc2c1O ZINC001231879523 818200005 /nfs/dbraw/zinc/20/00/05/818200005.db2.gz GVTKPOINHGGCBM-LBPRGKRZSA-N 1 0 269.344 3.099 20 10 CGCDRO CSCC[N@H+](C)Cc1ccc2ccccc2c1O ZINC001231882040 818202886 /nfs/dbraw/zinc/20/28/86/818202886.db2.gz FKDCZDJSGKOCQJ-UHFFFAOYSA-N 1 0 261.390 3.340 20 10 CGCDRO [O-]c1c(Cl)cccc1C[NH+]1CCC2(C[C@@H]2CCO)CC1 ZINC001231910292 818209074 /nfs/dbraw/zinc/20/90/74/818209074.db2.gz KZEHCMMVQYGRCX-ZDUSSCGKSA-N 1 0 295.810 3.030 20 10 CGCDRO CC(C)[N@H+](Cc1cc(Cl)c(O)cc1O)C1CCOCC1 ZINC001232264449 818297241 /nfs/dbraw/zinc/29/72/41/818297241.db2.gz HQBGZCVAZDFXDW-UHFFFAOYSA-N 1 0 299.798 3.141 20 10 CGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(N)nc1C ZINC001232345494 818323997 /nfs/dbraw/zinc/32/39/97/818323997.db2.gz FJQSBNHSYFIMDY-UHFFFAOYSA-N 1 0 298.434 3.060 20 10 CGCDRO CCC[N@H+](CC)Cc1c2ccccc2n(C)c1C(=O)OC ZINC001232402611 818339846 /nfs/dbraw/zinc/33/98/46/818339846.db2.gz YSUCLWCZROBMOW-UHFFFAOYSA-N 1 0 288.391 3.197 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCCC(F)(F)CC2)c(O)c1 ZINC001232834693 818451651 /nfs/dbraw/zinc/45/16/51/818451651.db2.gz JVDUSFNLNVDVOR-UHFFFAOYSA-N 1 0 284.350 3.079 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H]3CCC[C@H]3C2)c(O)c1 ZINC001232835661 818452180 /nfs/dbraw/zinc/45/21/80/818452180.db2.gz FJKRPUIIWHNRKI-KGLIPLIRSA-N 1 0 274.408 3.080 20 10 CGCDRO Oc1cc(C[NH+]2CCC(c3ccccc3)CC2)cc(O)c1O ZINC001233012913 818503542 /nfs/dbraw/zinc/50/35/42/818503542.db2.gz KSZCWKXHMRHFHM-UHFFFAOYSA-N 1 0 299.370 3.183 20 10 CGCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CCCC[C@@](C)(O)C2)c1 ZINC001233283928 818565999 /nfs/dbraw/zinc/56/59/99/818565999.db2.gz BAVUWGCUXGJONS-GOSISDBHSA-N 1 0 291.435 3.427 20 10 CGCDRO C[N@H+](Cc1cnccn1)Cc1cc(C(C)(C)C)ccc1O ZINC001233286564 818567846 /nfs/dbraw/zinc/56/78/46/818567846.db2.gz ZCROELJYIGGJCC-UHFFFAOYSA-N 1 0 285.391 3.112 20 10 CGCDRO C[N@H+](Cc1ccncn1)Cc1cc(C(C)(C)C)ccc1O ZINC001233287339 818569269 /nfs/dbraw/zinc/56/92/69/818569269.db2.gz LBEWEICZCWPPOM-UHFFFAOYSA-N 1 0 285.391 3.112 20 10 CGCDRO CCN1CC[N@H+](Cc2cc(C(C)(C)C)ccc2O)C[C@H]1C ZINC001233287563 818571132 /nfs/dbraw/zinc/57/11/32/818571132.db2.gz XBCWNBIUHNBSAD-CQSZACIVSA-N 1 0 290.451 3.216 20 10 CGCDRO CC[N@@H+](Cc1ccccc1O)Cc1cccc2nccn21 ZINC001233363479 818596974 /nfs/dbraw/zinc/59/69/74/818596974.db2.gz HZGUDBYYPOAXGE-UHFFFAOYSA-N 1 0 281.359 3.062 20 10 CGCDRO CC[N@H+](Cc1ccc(C(F)(F)F)cc1O)C1CC1 ZINC001233451514 818623452 /nfs/dbraw/zinc/62/34/52/818623452.db2.gz NJHGQBVDRYAHPK-UHFFFAOYSA-N 1 0 259.271 3.395 20 10 CGCDRO CCCC[NH+](CCCC)Cc1cc(O)c(O)cc1O ZINC001233485941 818624893 /nfs/dbraw/zinc/62/48/93/818624893.db2.gz QXPJKBNGBDNQGX-UHFFFAOYSA-N 1 0 267.369 3.206 20 10 CGCDRO C[C@H]1CCC[N@@H+]1Cc1cccc(OC(F)(F)F)c1O ZINC001233726783 818691715 /nfs/dbraw/zinc/69/17/15/818691715.db2.gz HQRNYOOUFMXKCQ-VIFPVBQESA-N 1 0 275.270 3.275 20 10 CGCDRO C[N@@H+](Cc1cccc(-c2ccccc2)c1O)CC1COC1 ZINC001234996915 818972026 /nfs/dbraw/zinc/97/20/26/818972026.db2.gz PRJOIDQOHPUOSP-UHFFFAOYSA-N 1 0 283.371 3.137 20 10 CGCDRO CC[N@H+](Cc1cccc(-c2ccccc2)c1O)C1COC1 ZINC001234996321 818972076 /nfs/dbraw/zinc/97/20/76/818972076.db2.gz FOKBBRLKJRLPOS-UHFFFAOYSA-N 1 0 283.371 3.280 20 10 CGCDRO C[NH+](C)C1(C)CN(Cc2cccc(-c3ccccc3)c2O)C1 ZINC001234997338 818972269 /nfs/dbraw/zinc/97/22/69/818972269.db2.gz XYFQYLPDAORCTA-UHFFFAOYSA-N 1 0 296.414 3.195 20 10 CGCDRO Cc1cc(CN2CCCC23C[NH2+]C3)c(C)n1-c1ccccc1 ZINC001235095507 819001447 /nfs/dbraw/zinc/00/14/47/819001447.db2.gz RTYHOWTYLGVBAA-UHFFFAOYSA-N 1 0 295.430 3.032 20 10 CGCDRO CC[NH+](CC)CCN(C)Cc1ccc(C(C)(C)C)cc1O ZINC001235676346 819136219 /nfs/dbraw/zinc/13/62/19/819136219.db2.gz QQYYCWIDTGBHIE-UHFFFAOYSA-N 1 0 292.467 3.463 20 10 CGCDRO CC(C)(C)c1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2CO3)c(O)c1 ZINC001235679552 819138046 /nfs/dbraw/zinc/13/80/46/819138046.db2.gz FYBATBKMDYDPPM-HUUCEWRRSA-N 1 0 275.392 3.053 20 10 CGCDRO Cc1cc(CN2CCC[C@H]2C[NH3+])c(C)n1-c1ccccc1 ZINC001235724834 819153617 /nfs/dbraw/zinc/15/36/17/819153617.db2.gz JSCIMUPMPGEKHA-SFHVURJKSA-N 1 0 283.419 3.017 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(CN2C[C@H]([NH3+])CC[C@@H]2C)cc1 ZINC001235891359 819200801 /nfs/dbraw/zinc/20/08/01/819200801.db2.gz GADQHWNVGGSGAW-KBXCAEBGSA-N 1 0 297.446 3.406 20 10 CGCDRO C[C@@H]1CC[C@@H]([NH3+])CN1Cc1cccc(-c2ccccc2)c1O ZINC001235905025 819214671 /nfs/dbraw/zinc/21/46/71/819214671.db2.gz KNIKVALVXJDABW-RHSMWYFYSA-N 1 0 296.414 3.371 20 10 CGCDRO CC(C)[N@H+](CCN)Cc1ccc(N(C)C)c2ccccc12 ZINC001235948556 819237344 /nfs/dbraw/zinc/23/73/44/819237344.db2.gz PSBADWDECXAXHN-UHFFFAOYSA-N 1 0 285.435 3.075 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(CN(C)C[C@@H]2CCC[NH2+]2)cc1 ZINC001236118213 819328197 /nfs/dbraw/zinc/32/81/97/819328197.db2.gz INBMQXWUWQQRII-SFHVURJKSA-N 1 0 297.446 3.278 20 10 CGCDRO CCCC[C@H]1CN(Cc2cc(Cl)ccc2O)CC[NH2+]1 ZINC001236138290 819338605 /nfs/dbraw/zinc/33/86/05/819338605.db2.gz HHLOBFLAHVIXJY-AWEZNQCLSA-N 1 0 282.815 3.010 20 10 CGCDRO CCC[C@H]1CN(Cc2cc(C(C)(C)C)ccc2O)CC[NH2+]1 ZINC001236179202 819358007 /nfs/dbraw/zinc/35/80/07/819358007.db2.gz ULJKGXQGQAWYKQ-INIZCTEOSA-N 1 0 290.451 3.264 20 10 CGCDRO CC(C)(C)c1cc(O)c(CN2CCC[C@@H]2C[NH3+])cc1Cl ZINC001236252102 819405135 /nfs/dbraw/zinc/40/51/35/819405135.db2.gz DKVKUUQXNJFKPQ-GFCCVEGCSA-N 1 0 296.842 3.266 20 10 CGCDRO C[C@H]1[C@@H]([NH3+])CCCN1Cc1ccc(C(C)(C)C)cc1O ZINC001236421326 819467854 /nfs/dbraw/zinc/46/78/54/819467854.db2.gz UFLFXDPXFDPGMA-WFASDCNBSA-N 1 0 276.424 3.001 20 10 CGCDRO Cc1cc(Cl)cc(CN(C(C)C)[C@@H]2CCC[NH2+]C2)c1O ZINC001236470486 819491668 /nfs/dbraw/zinc/49/16/68/819491668.db2.gz IKXKFMANVJAEGY-OAHLLOKOSA-N 1 0 296.842 3.316 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+](C)Cc2ccccc2O)n1 ZINC001236646585 819559692 /nfs/dbraw/zinc/55/96/92/819559692.db2.gz JPVRORLKTUPDEP-UHFFFAOYSA-N 1 0 276.767 3.381 20 10 CGCDRO CCc1ccc(CN2CCC([N@H+](C)C3CC3)CC2)c(O)c1 ZINC001236792944 819597171 /nfs/dbraw/zinc/59/71/71/819597171.db2.gz UJJIABXGHRQWJQ-UHFFFAOYSA-N 1 0 288.435 3.013 20 10 CGCDRO CCc1ccc(C[N@@H+]2CCC[C@@H]2c2cnccn2)c(O)c1 ZINC001236794261 819598331 /nfs/dbraw/zinc/59/83/31/819598331.db2.gz KEXCIBFFQRISAN-MRXNPFEDSA-N 1 0 283.375 3.082 20 10 CGCDRO COc1cc(C)c(C[NH+]2CCC(C(F)F)CC2)c(O)c1 ZINC001236811617 819605044 /nfs/dbraw/zinc/60/50/44/819605044.db2.gz TWMZBCASPNOVCT-UHFFFAOYSA-N 1 0 285.334 3.186 20 10 CGCDRO C[C@H]1CC[C@H](CO)C[N@@H+]1Cc1cc2ccccc2cc1O ZINC001236827654 819609187 /nfs/dbraw/zinc/60/91/87/819609187.db2.gz VOSBXCFFJUJLFI-KBPBESRZSA-N 1 0 285.387 3.138 20 10 CGCDRO C[C@H]1C[N@H+](Cc2cc3ccccc3cc2O)CCC[C@H]1O ZINC001236826745 819609647 /nfs/dbraw/zinc/60/96/47/819609647.db2.gz MEDRKNNBZKOTDW-SUMWQHHRSA-N 1 0 285.387 3.138 20 10 CGCDRO C[C@]1(O)CCCC[N@H+](Cc2cc3ccccc3cc2O)C1 ZINC001236827561 819609923 /nfs/dbraw/zinc/60/99/23/819609923.db2.gz VDJITTNJRMVRKB-SFHVURJKSA-N 1 0 285.387 3.282 20 10 CGCDRO OC[C@@H]1CCC[N@H+](Cc2cc3ccccc3cc2O)CC1 ZINC001236827895 819609955 /nfs/dbraw/zinc/60/99/55/819609955.db2.gz WCLSWQZSTATDSF-CQSZACIVSA-N 1 0 285.387 3.140 20 10 CGCDRO C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cc2ccccc2cc1O ZINC001236827915 819610081 /nfs/dbraw/zinc/61/00/81/819610081.db2.gz WOGUUHSPLAUGQU-ABAIWWIYSA-N 1 0 259.324 3.478 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2C[C@H](CO)CC[C@H]2C)c(O)c1 ZINC001237044423 819649703 /nfs/dbraw/zinc/64/97/03/819649703.db2.gz CSPWCAVZNIYEHS-ZIAGYGMSSA-N 1 0 277.408 3.108 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)c(O)c1 ZINC001237050069 819651561 /nfs/dbraw/zinc/65/15/61/819651561.db2.gz XCHZPNDPURQMJA-KKUMJFAQSA-N 1 0 263.356 3.448 20 10 CGCDRO CCC[NH+]1CCN(Cc2ccc(C(C)C)cc2O)CC1 ZINC001237049306 819651716 /nfs/dbraw/zinc/65/17/16/819651716.db2.gz NDUIDCCLQJRFNE-UHFFFAOYSA-N 1 0 276.424 3.043 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2CCC[C@H](F)C2)c(O)c1 ZINC001237050081 819652007 /nfs/dbraw/zinc/65/20/07/819652007.db2.gz XIOJHZHUADVKLR-AWEZNQCLSA-N 1 0 251.345 3.450 20 10 CGCDRO CC(C)c1ccc(C[NH+]2CCSCC2)c(O)c1 ZINC001237052363 819652071 /nfs/dbraw/zinc/65/20/71/819652071.db2.gz VMLNGDJMEPCTFC-UHFFFAOYSA-N 1 0 251.395 3.064 20 10 CGCDRO COC[C@H]1CCCC[N@@H+]1Cc1c(O)ccc(F)c1Cl ZINC001237122127 819673511 /nfs/dbraw/zinc/67/35/11/819673511.db2.gz SERURHLVXTYFST-SNVBAGLBSA-N 1 0 287.762 3.186 20 10 CGCDRO CO[C@H]1CCC[N@H+](Cc2c(O)ccc(F)c2Cl)CC1 ZINC001237127020 819673945 /nfs/dbraw/zinc/67/39/45/819673945.db2.gz SFAYVEYQLAZKDX-JTQLQIEISA-N 1 0 287.762 3.186 20 10 CGCDRO C[N@H+](Cc1cc(C(F)(F)F)ccc1O)C1CCOCC1 ZINC001237134772 819674728 /nfs/dbraw/zinc/67/47/28/819674728.db2.gz CCXHMNGRGXGJOM-UHFFFAOYSA-N 1 0 289.297 3.022 20 10 CGCDRO CSCC[N@H+](C)Cc1cc(C(F)(F)F)ccc1O ZINC001237146871 819678717 /nfs/dbraw/zinc/67/87/17/819678717.db2.gz XBOGSKVRIRZFIW-UHFFFAOYSA-N 1 0 279.327 3.206 20 10 CGCDRO Cc1ccc(C)c(CN(C2CCC2)[C@H]2CCC[NH2+]C2)c1O ZINC001237157034 819683142 /nfs/dbraw/zinc/68/31/42/819683142.db2.gz YEHADGQAHVOFPZ-INIZCTEOSA-N 1 0 288.435 3.116 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCC(=O)[C@@H]2CCCC[C@@H]21 ZINC001237483709 819760522 /nfs/dbraw/zinc/76/05/22/819760522.db2.gz RHXWBNSOAUZKTE-HIFRSBDPSA-N 1 0 273.376 3.034 20 10 CGCDRO CCCCCCN1CC[NH+](Cc2c(C)cccc2O)CC1 ZINC001237489033 819762635 /nfs/dbraw/zinc/76/26/35/819762635.db2.gz DBFOQPFGPHTYKN-UHFFFAOYSA-N 1 0 290.451 3.399 20 10 CGCDRO COc1cc(C[N@@H+]2CCC3(CCCC3)C2)c(O)c(OC)c1 ZINC001237675179 819803203 /nfs/dbraw/zinc/80/32/03/819803203.db2.gz BCQXOADRKFFWBK-UHFFFAOYSA-N 1 0 291.391 3.176 20 10 CGCDRO [O-]c1c(Cl)cc(F)cc1C[N@@H+]1CC[C@H]2CCCO[C@H]2C1 ZINC001237799177 819845196 /nfs/dbraw/zinc/84/51/96/819845196.db2.gz DSTZZDDWUBNCAB-YGRLFVJLSA-N 1 0 299.773 3.186 20 10 CGCDRO CCCCC[NH+]1CCN(Cc2cc(F)cc(C)c2O)CC1 ZINC001238061791 819920314 /nfs/dbraw/zinc/92/03/14/819920314.db2.gz IJHQSQPCAMIIJY-UHFFFAOYSA-N 1 0 294.414 3.148 20 10 CGCDRO Cc1cc(F)cc(C[N@@H+]2CCc3sccc3C2)c1O ZINC001238064462 819920715 /nfs/dbraw/zinc/92/07/15/819920715.db2.gz PKYHAKYHUIDNIJ-UHFFFAOYSA-N 1 0 277.364 3.460 20 10 CGCDRO Cc1cc(F)cc(C[NH+]2CCC(OC(C)C)CC2)c1O ZINC001238063475 819921057 /nfs/dbraw/zinc/92/10/57/819921057.db2.gz WUHJTLXIIWGZPB-UHFFFAOYSA-N 1 0 281.371 3.229 20 10 CGCDRO C[C@H]1CC([NH2+]Cc2cc(F)c(N(C)C)cc2F)C[C@H](C)O1 ZINC001334904082 936121433 /nfs/dbraw/zinc/12/14/33/936121433.db2.gz YMRCMXRIXOXFRJ-QWRGUYRKSA-N 1 0 298.377 3.076 20 10 CGCDRO CC[C@@H]1OCC[C@H]1[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2C ZINC001345076126 936800404 /nfs/dbraw/zinc/80/04/04/936800404.db2.gz DADSFIJPQFOLSB-XFMPKHEZSA-N 1 0 275.392 3.406 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCOC23CCCC3)c1 ZINC001352751115 937048477 /nfs/dbraw/zinc/04/84/77/937048477.db2.gz SXMXORFTQHOAJW-MLGOLLRUSA-N 1 0 291.391 3.153 20 10 CGCDRO CC[C@@]1(O)CCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001352875106 937051939 /nfs/dbraw/zinc/05/19/39/937051939.db2.gz DIGNEJMDDVGVJL-GOSISDBHSA-N 1 0 288.435 3.024 20 10 CGCDRO Cc1csc(C[C@@H]2CC[N@H+](Cc3ccc(N)cc3)C2)n1 ZINC001356083577 937152751 /nfs/dbraw/zinc/15/27/51/937152751.db2.gz TVHPGDIJEPXXRA-AWEZNQCLSA-N 1 0 287.432 3.098 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CCc1ccccn1 ZINC000019916844 928046599 /nfs/dbraw/zinc/04/65/99/928046599.db2.gz GDOPFWGEONWLCM-UKRRQHHQSA-N 1 0 282.387 3.476 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CC2(O)CCC(C)CC2)cc1Cl ZINC001308882141 928550856 /nfs/dbraw/zinc/55/08/56/928550856.db2.gz ZYLFNBINWIZICK-UHFFFAOYSA-N 1 0 297.826 3.385 20 10 CGCDRO COc1ccc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)c(O)c1 ZINC000179951377 932015969 /nfs/dbraw/zinc/01/59/69/932015969.db2.gz UAQMMBVIXKUOKV-NSHDSACASA-N 1 0 289.297 3.175 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CO[C@H](C)C1)c1ccc2ccccc2c1O ZINC000402389085 932018051 /nfs/dbraw/zinc/01/80/51/932018051.db2.gz RYWYCCAKGOXNAB-YRGRVCCFSA-N 1 0 271.360 3.373 20 10 CGCDRO CO[C@](C)(C[NH2+]Cc1c(C)c2ccccc2n1C)C1CC1 ZINC000314098050 932029446 /nfs/dbraw/zinc/02/94/46/932029446.db2.gz GTSNAGXCAGDCOR-GOSISDBHSA-N 1 0 286.419 3.391 20 10 CGCDRO COC1CC(CC[NH2+]Cc2c(C)c3ccccc3n2C)C1 ZINC001461634434 937589548 /nfs/dbraw/zinc/58/95/48/937589548.db2.gz VCVWWIIWUMBKFZ-UHFFFAOYSA-N 1 0 286.419 3.391 20 10 CGCDRO CC[C@H](C[C@@H](C)O)[NH2+]Cc1ccc(N(CC)CC)c(F)c1 ZINC001461704330 937593392 /nfs/dbraw/zinc/59/33/92/937593392.db2.gz FDYYCHBBZVHMFU-UKRRQHHQSA-N 1 0 296.430 3.311 20 10 CGCDRO Oc1cc(Cl)ccc1C[N@@H+]1CCCC2(CC2)C1 ZINC001462124867 937619689 /nfs/dbraw/zinc/61/96/89/937619689.db2.gz DTMGBOSXZOPMJO-UHFFFAOYSA-N 1 0 251.757 3.422 20 10 CGCDRO CCn1ccc(C[N@H+](C)Cc2ccc(Cl)cc2O)c1 ZINC001462096254 937617386 /nfs/dbraw/zinc/61/73/86/937617386.db2.gz MSUVBZUUNJWGET-UHFFFAOYSA-N 1 0 278.783 3.499 20 10 CGCDRO F[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001462339184 937633738 /nfs/dbraw/zinc/63/37/38/937633738.db2.gz LGTKWDZQRMFUIR-HUUCEWRRSA-N 1 0 263.356 3.382 20 10 CGCDRO CC[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2C)[C@@H](CC)CO1 ZINC001462415254 937639020 /nfs/dbraw/zinc/63/90/20/937639020.db2.gz PGGOLHIFMGDZPF-FUHWJXTLSA-N 1 0 290.451 3.450 20 10 CGCDRO C[C@H](O)[C@H]([NH2+]Cc1ccc(Cl)cc1O)c1ccccc1 ZINC001462479306 937644409 /nfs/dbraw/zinc/64/44/09/937644409.db2.gz NOSUIAHZXQPMOP-ZBEGNZNMSA-N 1 0 291.778 3.257 20 10 CGCDRO COC[C@H](C[NH2+][C@H](C)c1ccc(N(C)C)cc1)C(C)C ZINC001307695823 932987797 /nfs/dbraw/zinc/98/77/97/932987797.db2.gz QORYKIPEKASRJD-ZBFHGGJFSA-N 1 0 278.440 3.322 20 10 CGCDRO CCCC[NH2+]Cc1ccc(OC)c(COCC)c1 ZINC001308188075 933067738 /nfs/dbraw/zinc/06/77/38/933067738.db2.gz NIOIQYGNALQOQE-UHFFFAOYSA-N 1 0 251.370 3.121 20 10 CGCDRO FC(F)(F)SCC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001308202100 933072274 /nfs/dbraw/zinc/07/22/74/933072274.db2.gz FHUIXQNIGGUVFL-UHFFFAOYSA-N 1 0 291.338 3.354 20 10 CGCDRO C/C=C\C[C@H](CO)[NH2+]Cc1ccc(OCCC)c(C)c1 ZINC001308380256 933103581 /nfs/dbraw/zinc/10/35/81/933103581.db2.gz HFXOPVVTSZQWFZ-DQOPKJQZSA-N 1 0 277.408 3.201 20 10 CGCDRO COc1ccc(C[NH2+][C@H](CO)CC2CCCCC2)cc1C ZINC001308441965 933111777 /nfs/dbraw/zinc/11/17/77/933111777.db2.gz UTQOTLFTHKDZKE-KRWDZBQOSA-N 1 0 291.435 3.425 20 10 CGCDRO COc1cc(C)c(C[N@H+](C)[C@@H](C)C(C)C)c(O)c1 ZINC001308613984 933143574 /nfs/dbraw/zinc/14/35/74/933143574.db2.gz KWTWVMFHRZSSNF-LBPRGKRZSA-N 1 0 251.370 3.186 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@@H+](CCN(C)C)CC(C)C ZINC001308746471 933169061 /nfs/dbraw/zinc/16/90/61/933169061.db2.gz DKOMUSYAPTYKJI-UHFFFAOYSA-N 1 0 291.483 3.081 20 10 CGCDRO COc1cc(O)c(C[N@H+](C)[C@H]2CCCC[C@H]2C)cc1OC ZINC001308755617 933171648 /nfs/dbraw/zinc/17/16/48/933171648.db2.gz UXCGMNLYNOZZBG-OCCSQVGLSA-N 1 0 293.407 3.420 20 10 CGCDRO CC(C)c1ccc(O)c(C[N@H+](C)CC2=CCCOC2)c1 ZINC001308855642 933190307 /nfs/dbraw/zinc/19/03/07/933190307.db2.gz QXGKEXQVKFMTBU-UHFFFAOYSA-N 1 0 275.392 3.294 20 10 CGCDRO Oc1cccc2c1C[N@H+](Cc1cccc3c1CCC3)C2 ZINC001308910919 933202362 /nfs/dbraw/zinc/20/23/62/933202362.db2.gz QRIIIKDKYICRSA-UHFFFAOYSA-N 1 0 265.356 3.397 20 10 CGCDRO COc1cc(C)cc(C[NH2+]CCCCC2CC2)c1O ZINC001474665768 933627988 /nfs/dbraw/zinc/62/79/88/933627988.db2.gz QNASQGXTYXNABQ-UHFFFAOYSA-N 1 0 263.381 3.379 20 10 CGCDRO CC[C@]1(C)COCC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001321408326 934180695 /nfs/dbraw/zinc/18/06/95/934180695.db2.gz KQMDNRSBOUEZAJ-GOSISDBHSA-N 1 0 288.435 3.288 20 10 CGCDRO COc1ccc(C[NH2+][C@@]2(CO)CCCC(C)(C)C2)cc1C ZINC001473652938 937816210 /nfs/dbraw/zinc/81/62/10/937816210.db2.gz BORCEEOAEHXXPB-SFHVURJKSA-N 1 0 291.435 3.425 20 10 CGCDRO COc1ccc(CNc2c(C)c[nH+]c3ccccc32)c(O)c1 ZINC001326887218 935013701 /nfs/dbraw/zinc/01/37/01/935013701.db2.gz YXHWXZDYOUITTD-UHFFFAOYSA-N 1 0 294.354 3.291 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C2CC3(CC3(F)F)C2)cc1F ZINC001327197365 935043970 /nfs/dbraw/zinc/04/39/70/935043970.db2.gz CSORQCJLHRMAET-UHFFFAOYSA-N 1 0 284.325 3.169 20 10 CGCDRO CCn1nccc1C[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2C ZINC001328491006 935143472 /nfs/dbraw/zinc/14/34/72/935143472.db2.gz GTOBIVOGEANJQQ-JSGCOSHPSA-N 1 0 285.391 3.255 20 10 CGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]CCN(C)CC(F)F ZINC001329755642 935244456 /nfs/dbraw/zinc/24/44/56/935244456.db2.gz SMGWHNOQCFERJH-NWDGAFQWSA-N 1 0 298.377 3.035 20 10 CGCDRO CO[C@@H]1CC[C@@H]([NH2+]Cc2ccc3ccccc3c2O)C1 ZINC001330432164 935288375 /nfs/dbraw/zinc/28/83/75/935288375.db2.gz MJVKKCSTUIUNBU-HUUCEWRRSA-N 1 0 271.360 3.203 20 10 CGCDRO Cc1csc(CCC[NH2+]Cc2ccc(C)cc2O)n1 ZINC001330626663 935305150 /nfs/dbraw/zinc/30/51/50/935305150.db2.gz QBNQHIRDDKDLLN-UHFFFAOYSA-N 1 0 276.405 3.188 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+]CCCC(F)F)cc1 ZINC001332352348 935460930 /nfs/dbraw/zinc/46/09/30/935460930.db2.gz GUYKLBXCCFDSIC-HYXAFXHYSA-N 1 0 268.351 3.401 20 10 CGCDRO Nc1ccc(C[NH2+]C2(c3ccccc3)CCC2)cc1 ZINC001336286182 936186036 /nfs/dbraw/zinc/18/60/36/936186036.db2.gz OBKDVLSTQSSAAR-UHFFFAOYSA-N 1 0 252.361 3.438 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](C)C[C@H]2C)c(O)c1OC ZINC001336722291 936210270 /nfs/dbraw/zinc/21/02/70/936210270.db2.gz OOVKFFIGHPNWPN-OUCADQQQSA-N 1 0 293.407 3.324 20 10 CGCDRO COc1ccc(F)cc1[C@@H](C)[NH2+]Cc1ccc(N)cc1 ZINC001337838181 936293658 /nfs/dbraw/zinc/29/36/58/936293658.db2.gz JQAYXSGGUCALNW-LLVKDONJSA-N 1 0 274.339 3.267 20 10 CGCDRO Cc1ccc(F)c(CC[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC001474149006 937841816 /nfs/dbraw/zinc/84/18/16/937841816.db2.gz IJIJNMKXLPCAKZ-UHFFFAOYSA-N 1 0 285.362 3.401 20 10 CGCDRO CC(C)c1ccc(O)c(CN2CC[NH+](CC3CC3)CC2)c1 ZINC001474337172 937852821 /nfs/dbraw/zinc/85/28/21/937852821.db2.gz UVIPKGMGBNTYGR-UHFFFAOYSA-N 1 0 288.435 3.043 20 10 CGCDRO COc1cc(C)c(C[N@H+](C)CCC(F)(F)F)c(O)c1 ZINC001474382095 937856336 /nfs/dbraw/zinc/85/63/36/937856336.db2.gz BRIRGHRUCCDJKO-UHFFFAOYSA-N 1 0 277.286 3.093 20 10 CGCDRO COc1cc(C)c(C[N@H+](C)Cc2ccc(O)cc2)c(O)c1 ZINC001474502967 937863126 /nfs/dbraw/zinc/86/31/26/937863126.db2.gz GRODQGKZINCDOS-UHFFFAOYSA-N 1 0 287.359 3.047 20 10 CGCDRO CCC[C@@H](C[NH2+]Cc1ccc(N(C)C)cc1C)OCC ZINC001474647650 937872700 /nfs/dbraw/zinc/87/27/00/937872700.db2.gz RVYNQSUTSXHSJD-KRWDZBQOSA-N 1 0 278.440 3.356 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+][C@@H]1CCOc2ccc(F)cc21 ZINC001560759200 938274364 /nfs/dbraw/zinc/27/43/64/938274364.db2.gz VKEILZLZRJHGLL-CQSZACIVSA-N 1 0 291.297 3.284 20 10 CGCDRO CCc1cccc(C[N@H+](C)[C@H]2C[C@@H](OC)C23CCC3)c1O ZINC001560835036 938278788 /nfs/dbraw/zinc/27/87/88/938278788.db2.gz YHEYDQVSRBWGRX-JKSUJKDBSA-N 1 0 289.419 3.344 20 10 CGCDRO CC[C@@H](C)CC[NH2+]Cc1c(C)cc(OC)cc1O ZINC001560923916 938284509 /nfs/dbraw/zinc/28/45/09/938284509.db2.gz RORJJCNHTFXZNS-LLVKDONJSA-N 1 0 251.370 3.235 20 10 CGCDRO Cc1ccc(C[NH2+][C@H]2CCOCC23CCCC3)c(O)c1 ZINC001561050953 938291779 /nfs/dbraw/zinc/29/17/79/938291779.db2.gz LMHCPAQXYSLKED-INIZCTEOSA-N 1 0 275.392 3.140 20 10 CGCDRO Nc1ccc(C[NH2+]CCOc2ccc(Cl)cc2)cc1 ZINC001580445766 962726695 /nfs/dbraw/zinc/72/66/95/962726695.db2.gz UVXFOQLMXWCJBY-UHFFFAOYSA-N 1 0 276.767 3.091 20 10 CGCDRO Nc1ccc(C[NH2+][C@H]2COc3ccc(Cl)cc32)cc1 ZINC001580445548 962727767 /nfs/dbraw/zinc/72/77/67/962727767.db2.gz JTKOJEQONIQTET-AWEZNQCLSA-N 1 0 274.751 3.146 20 10 CGCDRO Nc1ccc(C[N@@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)cc1 ZINC001580443656 962728184 /nfs/dbraw/zinc/72/81/84/962728184.db2.gz WECDLGJPYOWDIS-KRWDZBQOSA-N 1 0 286.419 3.050 20 10 CGCDRO O=C(/C=C\[C@@H]1CCC[NH2+]C1)N1CCCCCc2ccccc21 ZINC001580491935 962735719 /nfs/dbraw/zinc/73/57/19/962735719.db2.gz VZTGFLFWQMDVKY-JNSOCZORSA-N 1 0 298.430 3.302 20 10 CGCDRO CN(C)c1ccc(C[NH2+]Cc2ccc(F)c(F)c2)cc1 ZINC000020146006 368805123 /nfs/dbraw/zinc/80/51/23/368805123.db2.gz LIOLVTHRDZOTAE-UHFFFAOYSA-N 1 0 276.330 3.321 20 10 CGCDRO Oc1cc2c(cc1C[NH2+][C@@H](c1ccccc1)C1CC1)OCO2 ZINC000063255979 369645025 /nfs/dbraw/zinc/64/50/25/369645025.db2.gz BSEHEKLDQKZXFW-SFHVURJKSA-N 1 0 297.354 3.362 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)[C@H]1CCOC1 ZINC000273586035 296150052 /nfs/dbraw/zinc/15/00/52/296150052.db2.gz NTPLALULGZZVIE-WWGRRREGSA-N 1 0 289.419 3.347 20 10 CGCDRO Oc1cc2c(cc1C[NH2+]C[C@@H]1C[C@H]1c1ccccc1)OCO2 ZINC000111398383 370399211 /nfs/dbraw/zinc/39/92/11/370399211.db2.gz RMYZMNOCFYVJAW-ZFWWWQNUSA-N 1 0 297.354 3.014 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CCCC12CCOCC2)c1ccccc1O ZINC000282465811 296161901 /nfs/dbraw/zinc/16/19/01/296161901.db2.gz GEIDONGSZPLLRF-CJNGLKHVSA-N 1 0 275.392 3.392 20 10 CGCDRO CC[N@@H+]1CC[C@H](N(C)Cc2c(O)cccc2Cl)[C@H](C)C1 ZINC000130492465 371037690 /nfs/dbraw/zinc/03/76/90/371037690.db2.gz PNWUFUDLQWQYJY-DOMZBBRYSA-N 1 0 296.842 3.208 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2cccnc2OC)cc1 ZINC000151142453 371576457 /nfs/dbraw/zinc/57/64/57/371576457.db2.gz SHIVBGVEGYHGHU-CQSZACIVSA-N 1 0 299.418 3.397 20 10 CGCDRO COc1cccc(C[NH2+][C@@H]2CS[C@H](C(C)(C)C)C2)c1O ZINC000289176450 371752583 /nfs/dbraw/zinc/75/25/83/371752583.db2.gz ABTXBLSIJCEYRE-JSGCOSHPSA-N 1 0 295.448 3.411 20 10 CGCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]CC1=CCCOC1 ZINC000288567239 371741729 /nfs/dbraw/zinc/74/17/29/371741729.db2.gz ZGYAOYFNEJWNMN-UHFFFAOYSA-N 1 0 295.382 3.496 20 10 CGCDRO COc1cccc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)c1O ZINC000156038950 371958620 /nfs/dbraw/zinc/95/86/20/371958620.db2.gz SJUXMKDJEHMAGN-OCCSQVGLSA-N 1 0 261.365 3.165 20 10 CGCDRO CCOC1(C)CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000292768226 372206202 /nfs/dbraw/zinc/20/62/02/372206202.db2.gz KCQBLPWMUOYBIL-UHFFFAOYSA-N 1 0 283.799 3.437 20 10 CGCDRO Cc1cc(C[NH2+][C@H](C)c2c(C)cc(C)cc2O)on1 ZINC000293639499 372432667 /nfs/dbraw/zinc/43/26/67/372432667.db2.gz HXFMVYOPHYRWQG-GFCCVEGCSA-N 1 0 260.337 3.156 20 10 CGCDRO C[C@H]([NH2+]CC1CC(F)(F)C1)c1cc(F)ccc1O ZINC000293893177 372514395 /nfs/dbraw/zinc/51/43/95/372514395.db2.gz ZFLBJDNJGWBPIY-QMMMGPOBSA-N 1 0 259.271 3.227 20 10 CGCDRO [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@@H]1CCSC1 ZINC000294811613 372672093 /nfs/dbraw/zinc/67/20/93/372672093.db2.gz WTYHNTZFIIHGSP-QMMMGPOBSA-N 1 0 275.776 3.027 20 10 CGCDRO C[N@H+](Cc1c(O)cccc1Cl)[C@H](CO)c1ccccc1 ZINC000295097447 372692712 /nfs/dbraw/zinc/69/27/12/372692712.db2.gz SGKQKBDVALZXOM-OAHLLOKOSA-N 1 0 291.778 3.211 20 10 CGCDRO CCCOc1ccc(C[N@@H+]2CC[C@H](SC)C2)c(O)c1 ZINC000295126450 372694132 /nfs/dbraw/zinc/69/41/32/372694132.db2.gz XKISFNYOUWUKKN-AWEZNQCLSA-N 1 0 281.421 3.118 20 10 CGCDRO COC1(C[NH2+]Cc2cc(C)c(C)cc2O)CCCC1 ZINC000296007985 372992422 /nfs/dbraw/zinc/99/24/22/372992422.db2.gz LKGYOXSTBPKYAG-UHFFFAOYSA-N 1 0 263.381 3.058 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]CCc1ccc(F)cc1)CC2 ZINC000296182973 373047283 /nfs/dbraw/zinc/04/72/83/373047283.db2.gz YFBUTPJNLNDQJK-HNNXBMFYSA-N 1 0 271.335 3.351 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H](C)CCCO)cc1 ZINC000296297504 373081574 /nfs/dbraw/zinc/08/15/74/373081574.db2.gz FSQVGSTXHBUPJQ-CABCVRRESA-N 1 0 278.440 3.202 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+][C@@H]1CCCC13CCOCC3)CC2 ZINC000296299455 373083675 /nfs/dbraw/zinc/08/36/75/373083675.db2.gz DNQJLOIBGWAANO-GOEBONIOSA-N 1 0 287.403 3.318 20 10 CGCDRO CC[C@@H]([NH2+]Cc1nccn1CC)c1ccc(C)cc1O ZINC000296652679 373209013 /nfs/dbraw/zinc/20/90/13/373209013.db2.gz YZWDDHSVFBXKCF-CQSZACIVSA-N 1 0 273.380 3.158 20 10 CGCDRO CCc1ccc([C@H](O)C[NH2+][C@H]2CCc3cccc(O)c32)cc1 ZINC000297298307 373266400 /nfs/dbraw/zinc/26/64/00/373266400.db2.gz MEYJTQDTKPDJPI-FUHWJXTLSA-N 1 0 297.398 3.265 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000179950847 373945018 /nfs/dbraw/zinc/94/50/18/373945018.db2.gz TYAHOJGDLONGTF-LLVKDONJSA-N 1 0 259.271 3.167 20 10 CGCDRO Cc1ccc([C@@H](O)C[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC000179875808 373932383 /nfs/dbraw/zinc/93/23/83/373932383.db2.gz RIPZUEAFWKANFQ-GUYCJALGSA-N 1 0 271.360 3.085 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCSC(C)(C)C2)c1O ZINC000180315741 373990153 /nfs/dbraw/zinc/99/01/53/373990153.db2.gz DTMAWOVMIKTFOM-UHFFFAOYSA-N 1 0 251.395 3.028 20 10 CGCDRO C[C@H](Cc1ccc(O)cc1)[NH2+][C@H](C)c1ccccc1O ZINC000183493452 374420252 /nfs/dbraw/zinc/42/02/52/374420252.db2.gz CPNQMHQUEQYZQF-CHWSQXEVSA-N 1 0 271.360 3.380 20 10 CGCDRO CCC[N@H+](Cc1ccccc1O)[C@H](C)c1cnccn1 ZINC000184590040 374542429 /nfs/dbraw/zinc/54/24/29/374542429.db2.gz FKEOJVGIVWGAQP-CYBMUJFWSA-N 1 0 271.364 3.155 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1CC[C@H](O)C1)c1ccc2ccccc2c1O ZINC000189340116 375370032 /nfs/dbraw/zinc/37/00/32/375370032.db2.gz MDZAWIXUVZVVNW-IPYPFGDCSA-N 1 0 285.387 3.357 20 10 CGCDRO COc1ccc(F)cc1C[NH2+]Cc1cccc(C)c1O ZINC000189692731 375435756 /nfs/dbraw/zinc/43/57/56/375435756.db2.gz KPBLVPURCVKHCB-UHFFFAOYSA-N 1 0 275.323 3.138 20 10 CGCDRO C[C@H](CCCO)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000268061259 378049012 /nfs/dbraw/zinc/04/90/12/378049012.db2.gz YQZDTMHQZUEMMT-CQSZACIVSA-N 1 0 285.387 3.310 20 10 CGCDRO OC[C@H]1CCC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000269375705 378214066 /nfs/dbraw/zinc/21/40/66/378214066.db2.gz VPPBZDPCTNOCJC-HNNXBMFYSA-N 1 0 297.398 3.264 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1CCO[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000271478499 378495769 /nfs/dbraw/zinc/49/57/69/378495769.db2.gz DCBMDCAZYGJCPV-ILXRZTDVSA-N 1 0 276.424 3.218 20 10 CGCDRO CCc1noc(C)c1C[NH2+][C@@H](C)c1ccccc1O ZINC000271722033 378502337 /nfs/dbraw/zinc/50/23/37/378502337.db2.gz YAIOQBYNFKVJMY-JTQLQIEISA-N 1 0 260.337 3.102 20 10 CGCDRO CCc1noc(C)c1C[NH2+][C@H](C)c1ccccc1O ZINC000271722036 378502759 /nfs/dbraw/zinc/50/27/59/378502759.db2.gz YAIOQBYNFKVJMY-SNVBAGLBSA-N 1 0 260.337 3.102 20 10 CGCDRO COc1ccc(C[NH2+]CC2([C@H](C)CCO)CCC2)cc1C ZINC000271870404 378509566 /nfs/dbraw/zinc/50/95/66/378509566.db2.gz XLXAVSKCZAHECO-OAHLLOKOSA-N 1 0 291.435 3.282 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]Cc2nccs2)c(O)c1C ZINC000273399587 378743196 /nfs/dbraw/zinc/74/31/96/378743196.db2.gz MUIBWWUPFWYNRH-NSHDSACASA-N 1 0 262.378 3.316 20 10 CGCDRO C[C@@H](c1ccncc1)[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000273392150 378743796 /nfs/dbraw/zinc/74/37/96/378743796.db2.gz KDCVWQUSYUUYNF-ZDUSSCGKSA-N 1 0 287.382 3.480 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2c3ccccc3C[C@@H]2O)c(O)c1C ZINC000273397579 378744245 /nfs/dbraw/zinc/74/42/45/378744245.db2.gz MGBGGVWGSSNOFS-DOPJRALCSA-N 1 0 297.398 3.318 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](C)N(C)C2CC2)c(O)c1C ZINC000273465147 378748960 /nfs/dbraw/zinc/74/89/60/378748960.db2.gz DOVMUGXJMIEQNO-JSGCOSHPSA-N 1 0 276.424 3.142 20 10 CGCDRO CCN(CC[NH2+][C@H](C)c1ccc(C)c(C)c1O)C1CC1 ZINC000273618363 378757961 /nfs/dbraw/zinc/75/79/61/378757961.db2.gz YGPWXQXOJYLWQH-CQSZACIVSA-N 1 0 276.424 3.144 20 10 CGCDRO C[C@H]([NH2+][C@H]1CN(C2CC2)C[C@@H]1C)c1cc(Cl)ccc1O ZINC000273575767 378754655 /nfs/dbraw/zinc/75/46/55/378754655.db2.gz LVQODASZQQKXHF-PGUXBMHVSA-N 1 0 294.826 3.179 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccsc2)c(O)c1C ZINC000273600580 378756536 /nfs/dbraw/zinc/75/65/36/378756536.db2.gz RUAVKELEDMKOPT-IUODEOHRSA-N 1 0 291.416 3.455 20 10 CGCDRO C[C@@H](CCC1CC1)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000274382528 378823848 /nfs/dbraw/zinc/82/38/48/378823848.db2.gz JDHCBNARGKLCKI-HNNXBMFYSA-N 1 0 288.435 3.192 20 10 CGCDRO CCC1(C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000376547139 379577999 /nfs/dbraw/zinc/57/79/99/379577999.db2.gz HTPFACLTYGYGTG-UHFFFAOYSA-N 1 0 288.435 3.444 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CCC(F)(F)C2)cc1 ZINC000281654608 379842088 /nfs/dbraw/zinc/84/20/88/379842088.db2.gz NBHXOTIQGBISHG-ZDUSSCGKSA-N 1 0 268.351 3.278 20 10 CGCDRO COCC1(C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)CCC1 ZINC000282959418 380017001 /nfs/dbraw/zinc/01/70/01/380017001.db2.gz ZNZSRYASVOBVPN-AWEZNQCLSA-N 1 0 277.408 3.476 20 10 CGCDRO CCCC[N@H+](Cc1cocn1)Cc1ccccc1O ZINC000282966725 380018886 /nfs/dbraw/zinc/01/88/86/380018886.db2.gz IIXWLMJVGIMIIE-UHFFFAOYSA-N 1 0 260.337 3.183 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CSC2(C)C)c(O)c1 ZINC000283388689 380060182 /nfs/dbraw/zinc/06/01/82/380060182.db2.gz PJBGLZCHSIFSLD-MFKMUULPSA-N 1 0 251.395 3.245 20 10 CGCDRO COCCCC[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000283981912 380113475 /nfs/dbraw/zinc/11/34/75/380113475.db2.gz GZFFSNXBTSLTEK-ZDUSSCGKSA-N 1 0 251.370 3.086 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H](C)c2c(F)cncc2F)c1 ZINC000285613683 380151136 /nfs/dbraw/zinc/15/11/36/380151136.db2.gz XNJVTKJSEZJDHG-SNVBAGLBSA-N 1 0 278.302 3.225 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)c1ccc(C)cc1O ZINC000368101818 382365530 /nfs/dbraw/zinc/36/55/30/382365530.db2.gz LQOPYDXADKEGER-TZMCWYRMSA-N 1 0 285.391 3.022 20 10 CGCDRO COCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000282101593 285146758 /nfs/dbraw/zinc/14/67/58/285146758.db2.gz IQKHSAPFOXSRNU-HOCLYGCPSA-N 1 0 294.414 3.187 20 10 CGCDRO Cc1cnc(CC[N@@H+](C)Cc2cc(C)ccc2O)s1 ZINC000093807347 392238621 /nfs/dbraw/zinc/23/86/21/392238621.db2.gz HDIHZGLRUGWHMS-UHFFFAOYSA-N 1 0 276.405 3.140 20 10 CGCDRO CCC[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000132051098 392458207 /nfs/dbraw/zinc/45/82/07/392458207.db2.gz VHZIYSPAKRAMPB-MRVPVSSYSA-N 1 0 258.159 3.215 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H](O)Cc1ccccc1)c1ccc(N(C)C)cc1 ZINC000132036128 392458838 /nfs/dbraw/zinc/45/88/38/392458838.db2.gz SPNRURREEJPFEX-BEFAXECRSA-N 1 0 298.430 3.007 20 10 CGCDRO CCC(CC)[N@H+](CCOC)Cc1cc(OC)ccc1O ZINC000133488933 392462870 /nfs/dbraw/zinc/46/28/70/392462870.db2.gz QTRCCSOZUKWLHT-UHFFFAOYSA-N 1 0 281.396 3.038 20 10 CGCDRO Cc1cccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1O ZINC000158109853 392554068 /nfs/dbraw/zinc/55/40/68/392554068.db2.gz JEBYSDPSRLZMDI-GFCCVEGCSA-N 1 0 286.331 3.460 20 10 CGCDRO CSC1(C[NH2+][C@H](C)c2cc(F)ccc2O)CCC1 ZINC000193808470 392886845 /nfs/dbraw/zinc/88/68/45/392886845.db2.gz ZJAUMRWBRYOELQ-SNVBAGLBSA-N 1 0 269.385 3.468 20 10 CGCDRO Oc1ccccc1C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000227439015 393016021 /nfs/dbraw/zinc/01/60/21/393016021.db2.gz TVINEPBMWMAIBS-UHFFFAOYSA-N 1 0 282.387 3.151 20 10 CGCDRO COC(C)(C)C[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000020524680 292075811 /nfs/dbraw/zinc/07/58/11/292075811.db2.gz WBIYPCDBKUZTRK-ZDUSSCGKSA-N 1 0 264.413 3.046 20 10 CGCDRO C[C@H]([NH2+]Cc1cc(Cl)ccc1O)c1ccccn1 ZINC000020123509 171005086 /nfs/dbraw/zinc/00/50/86/171005086.db2.gz YVZBXGAAYCGBRF-JTQLQIEISA-N 1 0 262.740 3.291 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2ccccn2)c1 ZINC000020123491 171005121 /nfs/dbraw/zinc/00/51/21/171005121.db2.gz LLHCDLOJCIZHDC-NEPJUHHUSA-N 1 0 272.348 3.208 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2cccnc2)c1 ZINC000020127701 171013865 /nfs/dbraw/zinc/01/38/65/171013865.db2.gz DIOGBOWWXOQRIO-VXGBXAGGSA-N 1 0 272.348 3.208 20 10 CGCDRO COc1cccc(C[NH2+]C[C@H](C)c2ccccc2)c1O ZINC000020137171 171024832 /nfs/dbraw/zinc/02/48/32/171024832.db2.gz ZNJZRBMOVOEXFF-ZDUSSCGKSA-N 1 0 271.360 3.294 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](C)N2CCCCC2)c(O)c1 ZINC000038028702 174017256 /nfs/dbraw/zinc/01/72/56/174017256.db2.gz XWVAGHPIYLEXRG-LSDHHAIUSA-N 1 0 276.424 3.226 20 10 CGCDRO C[C@@H]([NH2+]CCc1ccccn1)c1ccc(N(C)C)cc1 ZINC000037201209 260074135 /nfs/dbraw/zinc/07/41/35/260074135.db2.gz MWZHPASUNPPGRT-CQSZACIVSA-N 1 0 269.392 3.041 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc3c(c2)OCCO3)c1 ZINC000192743845 227279402 /nfs/dbraw/zinc/27/94/02/227279402.db2.gz MSSQFXGZVFUJCQ-CYBMUJFWSA-N 1 0 299.370 3.323 20 10 CGCDRO CC(C)[C@@H](CO)[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000092391919 260270087 /nfs/dbraw/zinc/27/00/87/260270087.db2.gz YAQLFLQZTOTBQF-BLLLJJGKSA-N 1 0 273.376 3.213 20 10 CGCDRO C[C@H](CCO)[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000151955260 261057289 /nfs/dbraw/zinc/05/72/89/261057289.db2.gz UBVJHPBQEIWINB-CVEARBPZSA-N 1 0 290.451 3.489 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCCCCCO)cc1 ZINC000182143943 261925862 /nfs/dbraw/zinc/92/58/62/261925862.db2.gz UGVARSTTXHDXCD-OAHLLOKOSA-N 1 0 278.440 3.346 20 10 CGCDRO C[C@H]([NH2+]CCC[C@H]1CCCCO1)c1ccccc1O ZINC000184001975 262004655 /nfs/dbraw/zinc/00/46/55/262004655.db2.gz ZCWUZKYTAAIISI-UONOGXRCSA-N 1 0 263.381 3.392 20 10 CGCDRO C[C@@H](C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)C[C@H](C)O ZINC000185521664 262058476 /nfs/dbraw/zinc/05/84/76/262058476.db2.gz MKIITKRAJXRFPI-RDBSUJKOSA-N 1 0 291.435 3.329 20 10 CGCDRO Cc1c(C[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)cnn1C ZINC000186188267 262083601 /nfs/dbraw/zinc/08/36/01/262083601.db2.gz YNPWCIPIVPMCES-GFCCVEGCSA-N 1 0 299.418 3.164 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)C2CCOCC2)c1 ZINC000185782345 262308592 /nfs/dbraw/zinc/30/85/92/262308592.db2.gz KUOZEGSHHSCKDJ-OLZOCXBDSA-N 1 0 263.381 3.166 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H](CCO)C(C)(C)C)c(O)c1 ZINC000186397805 262314704 /nfs/dbraw/zinc/31/47/04/262314704.db2.gz LMRHNAFHMMDGLG-IUODEOHRSA-N 1 0 265.397 3.148 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000272540570 263006238 /nfs/dbraw/zinc/00/62/38/263006238.db2.gz PAOFQTUCKLYDLT-OAHLLOKOSA-N 1 0 283.371 3.293 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H](C)[C@H](C)OC)cc1 ZINC000290212982 263115375 /nfs/dbraw/zinc/11/53/75/263115375.db2.gz QBNXVYPZNNQJTN-RDBSUJKOSA-N 1 0 264.413 3.217 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1OCCc2ccccc21)c1ccccc1O ZINC000367769040 267116561 /nfs/dbraw/zinc/11/65/61/267116561.db2.gz MJRDVCCXPRTXPW-ACJLOTCBSA-N 1 0 283.371 3.357 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCc2cn3c(n2)CCCC3)c(O)c1 ZINC000368477220 267176512 /nfs/dbraw/zinc/17/65/12/267176512.db2.gz DQQNLJHNCXXBDP-CQSZACIVSA-N 1 0 299.418 3.127 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H](OCC3CC3)C2)c1 ZINC000368739004 267200657 /nfs/dbraw/zinc/20/06/57/267200657.db2.gz FPAIVUOXVJYDBO-INIZCTEOSA-N 1 0 275.392 3.092 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2CCC[C@@H](c3nccn3C)C2)cc1C ZINC000369684633 267259841 /nfs/dbraw/zinc/25/98/41/267259841.db2.gz WJRCKYITVLAUEY-OAHLLOKOSA-N 1 0 299.418 3.122 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C/C=C(/C)Cl)c1 ZINC000528437482 270165471 /nfs/dbraw/zinc/16/54/71/270165471.db2.gz NUTRTXWFYLVVSK-ABRRARGCSA-N 1 0 255.745 3.194 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C/C=C(/C)Cl)c1 ZINC000528437483 270165688 /nfs/dbraw/zinc/16/56/88/270165688.db2.gz NUTRTXWFYLVVSK-MBACFSSFSA-N 1 0 255.745 3.194 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000371333570 267392451 /nfs/dbraw/zinc/39/24/51/267392451.db2.gz DOWKDUBUVXZVPL-UHFFFAOYSA-N 1 0 291.782 3.148 20 10 CGCDRO COCCC1(C[NH2+][C@H]2CCc3cccc(O)c32)CCC1 ZINC000296822807 277489371 /nfs/dbraw/zinc/48/93/71/277489371.db2.gz MEKOAEIRFFSGEH-AWEZNQCLSA-N 1 0 275.392 3.176 20 10 CGCDRO CC[C@@H]([NH2+][C@H](C)CC(C)(C)O)c1ccc(N(C)C)cc1 ZINC000296638105 280195920 /nfs/dbraw/zinc/19/59/20/280195920.db2.gz XXVLBZBUXUYMHX-CZUORRHYSA-N 1 0 278.440 3.343 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)[C@H]1CCCCO1)c1ccccc1O ZINC000274812047 280968017 /nfs/dbraw/zinc/96/80/17/280968017.db2.gz YAOPAVDOQNJPJU-IVMMDQJWSA-N 1 0 263.381 3.391 20 10 CGCDRO COc1cccc(C[N@@H+]2CCC[C@@H]2c2ccncc2)c1O ZINC000289979760 295297268 /nfs/dbraw/zinc/29/72/68/295297268.db2.gz ZQSOOWJHZILSHD-OAHLLOKOSA-N 1 0 284.359 3.133 20 10 CGCDRO CC[C@H]([NH2+]C[C@H](O)Cc1ccccc1)c1ccccc1O ZINC000183321227 327819100 /nfs/dbraw/zinc/81/91/00/327819100.db2.gz ZOADOJVUBRNRGW-WBVHZDCISA-N 1 0 285.387 3.037 20 10 CGCDRO COC(C)(C)C[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000185565085 327841416 /nfs/dbraw/zinc/84/14/16/327841416.db2.gz HHKVVWDEQNPOPO-QWRGUYRKSA-N 1 0 269.360 3.386 20 10 CGCDRO CCc1nnc(C[NH2+][C@H](CC)c2ccccc2O)s1 ZINC000273116848 327852681 /nfs/dbraw/zinc/85/26/81/327852681.db2.gz HAGIGGOZTGYADO-LLVKDONJSA-N 1 0 277.393 3.047 20 10 CGCDRO COCC[N@H+](Cc1ccccc1)Cc1cccc(F)c1[O-] ZINC000272286198 328199731 /nfs/dbraw/zinc/19/97/31/328199731.db2.gz NMTYRFTUNLPDLB-UHFFFAOYSA-N 1 0 289.350 3.180 20 10 CGCDRO CCCO[C@@H]1CCC[N@H+](Cc2ccccc2O)CC1 ZINC000179573282 329209800 /nfs/dbraw/zinc/20/98/00/329209800.db2.gz AJDDYCPTWPINJL-OAHLLOKOSA-N 1 0 263.381 3.173 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCOC[C@@H]2c2ccccc2)c1 ZINC000378342677 329046674 /nfs/dbraw/zinc/04/66/74/329046674.db2.gz PZENLGCCXICGSS-QGZVFWFLSA-N 1 0 283.371 3.274 20 10 CGCDRO Cc1cnn(-c2cc[nH+]cc2NCc2cccc(C)c2O)c1 ZINC000182668336 329243584 /nfs/dbraw/zinc/24/35/84/329243584.db2.gz YTJKHTKDKUIOCE-UHFFFAOYSA-N 1 0 294.358 3.202 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2[C@@H](C)[C@H](C)O[C@H]2C)c1 ZINC000528000498 330299909 /nfs/dbraw/zinc/29/99/09/330299909.db2.gz FYPUCFGKUPTMQE-YTORKDELSA-N 1 0 263.381 3.163 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)c(O)c1C ZINC000528008355 330303497 /nfs/dbraw/zinc/30/34/97/330303497.db2.gz SJEKSLWOZYQBAR-BLDNINTCSA-N 1 0 277.408 3.472 20 10 CGCDRO c1cc(N2CCCCC2)ccc1C[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000153031921 330638689 /nfs/dbraw/zinc/63/86/89/330638689.db2.gz MWMQDLLMQDAPIA-KURKYZTESA-N 1 0 286.419 3.086 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCO[C@@H](C)C2)cc1 ZINC000219924405 333159421 /nfs/dbraw/zinc/15/94/21/333159421.db2.gz SHFAODSSABOZOD-GOEBONIOSA-N 1 0 276.424 3.190 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](O)c1ccc(C)cc1)c1ccccc1O ZINC000271757025 500738281 /nfs/dbraw/zinc/73/82/81/500738281.db2.gz YZDNHZVCZLIWQU-FUHWJXTLSA-N 1 0 285.387 3.475 20 10 CGCDRO C/C=C/C[C@H](CO)[NH2+][C@H](CC)c1ccc(C)cc1O ZINC000280218980 518543031 /nfs/dbraw/zinc/54/30/31/518543031.db2.gz UQMFQZGLSFUSAO-ZZEYUXRUSA-N 1 0 263.381 3.068 20 10 CGCDRO CC(C)COC[C@@H]([NH2+]Cc1ccccc1O)c1ccco1 ZINC000236622724 519755508 /nfs/dbraw/zinc/75/55/08/519755508.db2.gz WPUOUGLEPFUTGE-OAHLLOKOSA-N 1 0 289.375 3.489 20 10 CGCDRO CCOCCC[NH2+][C@@H](CC)c1ccc(N(C)C)cc1 ZINC000131543197 519898618 /nfs/dbraw/zinc/89/86/18/519898618.db2.gz JISZYSIRGWEJMJ-INIZCTEOSA-N 1 0 264.413 3.220 20 10 CGCDRO CCOCc1cc(C[NH2+]C[C@@H]2CCSC2)ccc1OC ZINC000279828536 520186307 /nfs/dbraw/zinc/18/63/07/520186307.db2.gz CALDQPOJDJZRGQ-AWEZNQCLSA-N 1 0 295.448 3.074 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H](C)Cn2cccn2)cc1 ZINC000271474141 520286286 /nfs/dbraw/zinc/28/62/86/520286286.db2.gz MHEPNCHOMNKTNK-HUUCEWRRSA-N 1 0 286.423 3.079 20 10 CGCDRO CCCOc1ccc(C[NH2+]CC2CC(F)(F)C2)c(O)c1 ZINC000291689412 520365642 /nfs/dbraw/zinc/36/56/42/520365642.db2.gz IXHAXZDCHPVSEI-UHFFFAOYSA-N 1 0 285.334 3.316 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c1 ZINC000292884120 521147988 /nfs/dbraw/zinc/14/79/88/521147988.db2.gz YBMFJVFPUAQRST-CABCVRRESA-N 1 0 297.345 3.268 20 10 CGCDRO CCC[C@]1([NH2+]Cc2cc(Cl)cc(OC)c2O)CCOC1 ZINC000289985343 521322777 /nfs/dbraw/zinc/32/27/77/521322777.db2.gz ZXXXNQQTIOTJRE-HNNXBMFYSA-N 1 0 299.798 3.103 20 10 CGCDRO CC[C@H](C)c1nnc([C@H](C)[NH2+]Cc2cccc(C)c2O)[nH]1 ZINC000277110095 522050957 /nfs/dbraw/zinc/05/09/57/522050957.db2.gz HWASDFZILDKPEZ-JQWIXIFHSA-N 1 0 288.395 3.183 20 10 CGCDRO CC[C@@H](C[NH2+][C@@H](CC)c1ccc(C)cc1O)OC ZINC000290216684 522550098 /nfs/dbraw/zinc/55/00/98/522550098.db2.gz QLSDIRNGNDRCOR-JSGCOSHPSA-N 1 0 251.370 3.166 20 10 CGCDRO CC[C@H]([NH2+]CC1(N(C)C)CCC1)c1ccc(C)cc1O ZINC000280198381 522572464 /nfs/dbraw/zinc/57/24/64/522572464.db2.gz SQDUTCPXEIYGBX-HNNXBMFYSA-N 1 0 276.424 3.226 20 10 CGCDRO CC[C@H]([NH2+][C@H](CCO)C(C)(C)C)c1ccccc1O ZINC000157991934 522744302 /nfs/dbraw/zinc/74/43/02/522744302.db2.gz JDXSYIXAOOVSDK-DZGCQCFKSA-N 1 0 265.397 3.230 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)c1nnc(C(C)C)[nH]1)c1ccccc1O ZINC000274812129 522744998 /nfs/dbraw/zinc/74/49/98/522744998.db2.gz YDKTZHRUKFXXEW-YPMHNXCESA-N 1 0 288.395 3.436 20 10 CGCDRO COC[C@H]([NH2+]Cc1cc(C)c(C)cc1O)c1ccco1 ZINC000080239801 522749017 /nfs/dbraw/zinc/74/90/17/522749017.db2.gz LHALSGRNGRNTAB-AWEZNQCLSA-N 1 0 275.348 3.079 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCOC[C@H]1C)c1ccc(N(C)C)cc1 ZINC000278483909 522755530 /nfs/dbraw/zinc/75/55/30/522755530.db2.gz KOZXKSQZSGLBMZ-COXVUDFISA-N 1 0 276.424 3.218 20 10 CGCDRO CC[C@H]([NH2+][C@H]1C[C@H](C)N(C2CC2)C1)c1ccc(C)cc1O ZINC000280298091 522761720 /nfs/dbraw/zinc/76/17/20/522761720.db2.gz ZSNQOQKVJWLZKX-ZQIUZPCESA-N 1 0 288.435 3.367 20 10 CGCDRO CO[C@H](C)[C@@H](C)[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000290297235 523891241 /nfs/dbraw/zinc/89/12/41/523891241.db2.gz YKNQRFZRIZNLFQ-OPRDCNLKSA-N 1 0 257.761 3.120 20 10 CGCDRO CO[C@H](C[NH2+]Cc1ccc(N2CCCCC2)cc1)C1CC1 ZINC000293003242 523951335 /nfs/dbraw/zinc/95/13/35/523951335.db2.gz NFKZGPAOUZPIIW-GOSISDBHSA-N 1 0 288.435 3.192 20 10 CGCDRO CCc1ccc([C@@H](O)C[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC000276412748 524032862 /nfs/dbraw/zinc/03/28/62/524032862.db2.gz MQDRJVXEMCBIKP-UGSOOPFHSA-N 1 0 285.387 3.339 20 10 CGCDRO Cc1cccc(C[NH2+]CCCc2ncccc2C)c1O ZINC000294998838 524433202 /nfs/dbraw/zinc/43/32/02/524433202.db2.gz LEZGVIHLAIDMQU-UHFFFAOYSA-N 1 0 270.376 3.126 20 10 CGCDRO C[C@@H](CCc1ccc(O)cc1)[NH2+]Cc1ccccc1O ZINC000037140206 524525545 /nfs/dbraw/zinc/52/55/45/524525545.db2.gz MXCCBLQSVZYQFE-ZDUSSCGKSA-N 1 0 271.360 3.209 20 10 CGCDRO Cc1cc(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)ncn1 ZINC000292204684 524670044 /nfs/dbraw/zinc/67/00/44/524670044.db2.gz PAZOVFGVHUWJFV-UHFFFAOYSA-N 1 0 296.418 3.016 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CC=CCC2)c1 ZINC000045628728 524772086 /nfs/dbraw/zinc/77/20/86/524772086.db2.gz DMYGLLDSSRIKLS-QWHCGFSZSA-N 1 0 261.365 3.408 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+]2CCC23CCOCC3)c1O ZINC000365820432 524861868 /nfs/dbraw/zinc/86/18/68/524861868.db2.gz XMZXKAJJEFSGHE-UHFFFAOYSA-N 1 0 281.783 3.109 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)cc1C ZINC000291848017 525317777 /nfs/dbraw/zinc/31/77/77/525317777.db2.gz HKQCBVXPQVGMPX-CABCVRRESA-N 1 0 281.346 3.486 20 10 CGCDRO C[C@H]([NH2+]CCC(C)(C)O)c1ccc(N2CCCCC2)cc1 ZINC000274813403 525328122 /nfs/dbraw/zinc/32/81/22/525328122.db2.gz VRUDOGLAIDFMRU-HNNXBMFYSA-N 1 0 290.451 3.489 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H]2c2ccncc2)c1 ZINC000289851590 525343402 /nfs/dbraw/zinc/34/34/02/525343402.db2.gz QAOKELXIYVFSFB-INIZCTEOSA-N 1 0 268.360 3.433 20 10 CGCDRO C[C@@H]([NH2+]C[C@@]1(C)CCCS1)c1ccccc1O ZINC000133896353 525488800 /nfs/dbraw/zinc/48/88/00/525488800.db2.gz LPYJXEDURHZNBD-BXUZGUMPSA-N 1 0 251.395 3.329 20 10 CGCDRO C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1ccccn1 ZINC000094616833 525528263 /nfs/dbraw/zinc/52/82/63/525528263.db2.gz UDBXIVYFBPALEM-QWRGUYRKSA-N 1 0 260.312 3.338 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1ccccn1)c1cc(F)ccc1O ZINC000094616835 525615079 /nfs/dbraw/zinc/61/50/79/525615079.db2.gz UDBXIVYFBPALEM-MNOVXSKESA-N 1 0 260.312 3.338 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCc2nccs2)c(O)c1 ZINC000063133580 525921814 /nfs/dbraw/zinc/92/18/14/525921814.db2.gz AREJUWIIEWQUTE-NSHDSACASA-N 1 0 262.378 3.050 20 10 CGCDRO COc1cccc(C[NH2+]CC2(OC)CCC(C)CC2)c1O ZINC000279768615 526014485 /nfs/dbraw/zinc/01/44/85/526014485.db2.gz JZAKIKPIZDEUJP-UHFFFAOYSA-N 1 0 293.407 3.086 20 10 CGCDRO OCC[C@@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1ccccc1 ZINC000297926473 527561643 /nfs/dbraw/zinc/56/16/43/527561643.db2.gz XKCJOVUQSNJIPZ-HZPDHXFCSA-N 1 0 283.371 3.093 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]CCc2ccc(C)o2)c1 ZINC000725847942 572440348 /nfs/dbraw/zinc/44/03/48/572440348.db2.gz XIJAASRPKFMPCW-UHFFFAOYSA-N 1 0 275.348 3.025 20 10 CGCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]CC1(O)CCC1 ZINC000732229078 572454070 /nfs/dbraw/zinc/45/40/70/572454070.db2.gz AZZBNBYNWMHYAB-UHFFFAOYSA-N 1 0 283.371 3.064 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)[C@H]1CCOC1 ZINC000742380432 572571498 /nfs/dbraw/zinc/57/14/98/572571498.db2.gz LOLHPHRGRPXHSH-FUHWJXTLSA-N 1 0 288.435 3.192 20 10 CGCDRO C[C@@H]1SCC[N@H+](Cc2c(O)ccc3ccncc32)[C@H]1C ZINC000735668555 572737650 /nfs/dbraw/zinc/73/76/50/572737650.db2.gz VDEIYWXOAUYGAG-RYUDHWBXSA-N 1 0 288.416 3.266 20 10 CGCDRO CCOc1ccc(C[NH2+][C@H]2C[C@](C)(OC)C2(C)C)c(O)c1 ZINC000744448481 572753729 /nfs/dbraw/zinc/75/37/29/572753729.db2.gz JZVPEKIOLDFNGW-RDJZCZTQSA-N 1 0 293.407 3.084 20 10 CGCDRO CCOc1ccc(C[NH2+][C@@H]2C[C@@](C)(OC)C2(C)C)c(O)c1 ZINC000744448480 572753936 /nfs/dbraw/zinc/75/39/36/572753936.db2.gz JZVPEKIOLDFNGW-NVXWUHKLSA-N 1 0 293.407 3.084 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)cc1C ZINC000747831409 572950574 /nfs/dbraw/zinc/95/05/74/572950574.db2.gz MJXJZVIIQHWSHQ-HOTGVXAUSA-N 1 0 289.419 3.258 20 10 CGCDRO Cc1cnc(C[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)cn1 ZINC000750282917 573107802 /nfs/dbraw/zinc/10/78/02/573107802.db2.gz APHBWBKRJAWZGH-UHFFFAOYSA-N 1 0 298.434 3.262 20 10 CGCDRO CCC[C@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000160393856 618036268 /nfs/dbraw/zinc/03/62/68/618036268.db2.gz LFAVTYNJVJWBAR-ZDUSSCGKSA-N 1 0 293.407 3.422 20 10 CGCDRO Cc1ccc(O)c(C[N@H+](C)Cc2ccccc2F)c1 ZINC000160730532 618137166 /nfs/dbraw/zinc/13/71/66/618137166.db2.gz PTDWYIHYRSPRKL-UHFFFAOYSA-N 1 0 259.324 3.472 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(NC(N)=O)cc2)c1 ZINC000184971294 625285050 /nfs/dbraw/zinc/28/50/50/625285050.db2.gz VUHWLQOQPRVCKG-GFCCVEGCSA-N 1 0 299.374 3.042 20 10 CGCDRO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](C)[C@@H](C)C2)c1O ZINC000161842365 618722930 /nfs/dbraw/zinc/72/29/30/618722930.db2.gz VMMWPODUQLXCPK-QWRGUYRKSA-N 1 0 279.355 3.212 20 10 CGCDRO CC[C@@H](C)C[N@H+](C)Cc1cc(OC)c(C)cc1O ZINC000179442742 618784448 /nfs/dbraw/zinc/78/44/48/618784448.db2.gz OOYTWIRFWUMYRB-LLVKDONJSA-N 1 0 251.370 3.187 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CCC[C@@H]1O)c1cc(Cl)c(Cl)cc1[O-] ZINC000193003985 618791746 /nfs/dbraw/zinc/79/17/46/618791746.db2.gz YQFCVUYPKHCJLI-MKCWBWRRSA-N 1 0 290.190 3.263 20 10 CGCDRO COc1ccc(CCC[N@H+](C)Cc2ccccc2O)cc1 ZINC000179561980 618795131 /nfs/dbraw/zinc/79/51/31/618795131.db2.gz VOXRRVVTAJJYIJ-UHFFFAOYSA-N 1 0 285.387 3.465 20 10 CGCDRO CCOCCCC[NH2+][C@H](C)c1ccc(C)cc1O ZINC000185071481 625298547 /nfs/dbraw/zinc/29/85/47/625298547.db2.gz PEMKMFQBQXNYPO-CYBMUJFWSA-N 1 0 251.370 3.168 20 10 CGCDRO CN(C)c1ccc(CNc2[nH+]ccn2C2CC2)cc1F ZINC000840887857 618898726 /nfs/dbraw/zinc/89/87/26/618898726.db2.gz YEBWSVHKEMFQLT-UHFFFAOYSA-N 1 0 274.343 3.035 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H](C1CC1)N(C)C)c1ccc(N(C)C)cc1 ZINC000166265043 618903676 /nfs/dbraw/zinc/90/36/76/618903676.db2.gz CRVFCFVHMTYBDZ-QZTJIDSGSA-N 1 0 289.467 3.134 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H]1CCCSC1 ZINC000840892517 618926061 /nfs/dbraw/zinc/92/60/61/618926061.db2.gz ABGMCDYDPCJERC-HOCLYGCPSA-N 1 0 292.492 3.477 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H]1CCCOCC1 ZINC000840894331 618944251 /nfs/dbraw/zinc/94/42/51/618944251.db2.gz QLACIZHDHZFTEQ-RDJZCZTQSA-N 1 0 290.451 3.151 20 10 CGCDRO CCOCC(C)(C)C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000311962355 618979897 /nfs/dbraw/zinc/97/98/97/618979897.db2.gz JPOLNRBZDBDIAC-LLVKDONJSA-N 1 0 269.360 3.245 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C[C@@H](C)Cc2ccccc2)c1 ZINC000182062770 619032021 /nfs/dbraw/zinc/03/20/21/619032021.db2.gz MBRLGTIRGMPHOP-AWEZNQCLSA-N 1 0 285.387 3.369 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]CC2(OC)CCCCC2)c1 ZINC000187448406 619077122 /nfs/dbraw/zinc/07/71/22/619077122.db2.gz MIAZUXSWWVYWGG-UHFFFAOYSA-N 1 0 293.407 3.230 20 10 CGCDRO COc1ccc(O)c(C[N@H+]2Cc3ccccc3O[C@H](C)C2)c1 ZINC000014990069 619110321 /nfs/dbraw/zinc/11/03/21/619110321.db2.gz FPTFKTUYCUYPPG-CYBMUJFWSA-N 1 0 299.370 3.184 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@H+](CCO)Cc1ccccc1 ZINC000840907460 619113422 /nfs/dbraw/zinc/11/34/22/619113422.db2.gz FCVDUQOULHRGRY-UHFFFAOYSA-N 1 0 298.430 3.056 20 10 CGCDRO CCOc1cccc(C[NH2+][C@H]2CCC(C)(C)C2)c1O ZINC000162722430 619139035 /nfs/dbraw/zinc/13/90/35/619139035.db2.gz HPJWKEOZYFWURT-ZDUSSCGKSA-N 1 0 263.381 3.459 20 10 CGCDRO CCCC[N@H+](CCOC)Cc1cc(OCC)ccc1O ZINC000093323080 619184136 /nfs/dbraw/zinc/18/41/36/619184136.db2.gz QPLOGARUSOOTHM-UHFFFAOYSA-N 1 0 281.396 3.039 20 10 CGCDRO COc1cccc(C[N@@H+]2C[C@@H](C)CCC[C@@H]2C)c1O ZINC000093509256 619202409 /nfs/dbraw/zinc/20/24/09/619202409.db2.gz POTODADVWBDOCS-STQMWFEESA-N 1 0 263.381 3.411 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1Cc2ccccc2O1)c1ccc(N(C)C)cc1 ZINC000314508407 619230087 /nfs/dbraw/zinc/23/00/87/619230087.db2.gz VPBRBVZZNQOMLQ-KBXCAEBGSA-N 1 0 296.414 3.407 20 10 CGCDRO CC(C)OCCCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000312059051 619240734 /nfs/dbraw/zinc/24/07/34/619240734.db2.gz BQROFJDGGZKWNK-CQSZACIVSA-N 1 0 263.381 3.174 20 10 CGCDRO CO[C@](C)([C@@H](C)[NH2+]Cc1cc(C)c(C)cc1O)C1CC1 ZINC000840961302 619281036 /nfs/dbraw/zinc/28/10/36/619281036.db2.gz UXNYZHGEULJENR-CXAGYDPISA-N 1 0 277.408 3.302 20 10 CGCDRO COc1cccc(O)c1C[NH2+]C[C@H](C)CC(F)(F)F ZINC000840963964 619283285 /nfs/dbraw/zinc/28/32/85/619283285.db2.gz PNRZNODXXKCEER-SECBINFHSA-N 1 0 277.286 3.079 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+]C[C@@H]2C[C@H](C)O[C@@H]2C)c1O ZINC000840964725 619284653 /nfs/dbraw/zinc/28/46/53/619284653.db2.gz VUYCFZBPWLRVOS-TUAOUCFPSA-N 1 0 283.799 3.257 20 10 CGCDRO CCOc1ccc(C[NH2+]C[C@@H](C)CC(F)(F)F)c(O)c1 ZINC000840964892 619284663 /nfs/dbraw/zinc/28/46/63/619284663.db2.gz XFRORQKUGVEJJH-JTQLQIEISA-N 1 0 291.313 3.469 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CC(O)(CC)CC)cc1F ZINC000236907468 619306693 /nfs/dbraw/zinc/30/66/93/619306693.db2.gz RSKANSIFKRQTRU-UHFFFAOYSA-N 1 0 296.430 3.313 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]CC[C@@H]1CCOC1 ZINC000840977916 619309104 /nfs/dbraw/zinc/30/91/04/619309104.db2.gz YFHFVLJMLYLXQC-HZPDHXFCSA-N 1 0 290.451 3.008 20 10 CGCDRO Cc1ncc(C[N@@H+](C)Cc2cc(F)cc(F)c2[O-])s1 ZINC000893966114 619341514 /nfs/dbraw/zinc/34/15/14/619341514.db2.gz HFBKPJNKLHCDPB-UHFFFAOYSA-N 1 0 284.331 3.067 20 10 CGCDRO CCCN(Cc1nccn1C1CC1)c1ccc(C[NH3+])cc1 ZINC000894046982 619358726 /nfs/dbraw/zinc/35/87/26/619358726.db2.gz QAKWKEROYRIMJV-UHFFFAOYSA-N 1 0 284.407 3.093 20 10 CGCDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccccc2O)C1(CC)CC ZINC000236989234 619382691 /nfs/dbraw/zinc/38/26/91/619382691.db2.gz OZRSISPLXNPXOQ-HOTGVXAUSA-N 1 0 277.408 3.466 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](C)c2ccsc2)c(O)c1OC ZINC000894264607 619452938 /nfs/dbraw/zinc/45/29/38/619452938.db2.gz NJOZDWUGICHQMG-JTQLQIEISA-N 1 0 293.388 3.322 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCc2ccc(C)nc2)c1 ZINC000185421672 625357140 /nfs/dbraw/zinc/35/71/40/625357140.db2.gz SJLJHNKBMYTMIY-AWEZNQCLSA-N 1 0 270.376 3.297 20 10 CGCDRO COCC[N@H+](Cc1ccccc1O)[C@H]1CC[C@H](C)C1 ZINC000792192488 619609132 /nfs/dbraw/zinc/60/91/32/619609132.db2.gz KZJGFQWIOWRBLE-ZFWWWQNUSA-N 1 0 263.381 3.029 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@@H]2c3ccccc3O[C@@H]2C)c1O ZINC000894785976 619635508 /nfs/dbraw/zinc/63/55/08/619635508.db2.gz BHAXZTOIUVHFOB-PXAZEXFGSA-N 1 0 299.370 3.321 20 10 CGCDRO COc1ccc(C[NH2+]C2(C3CCC3)CCC2)c(O)c1OC ZINC000894864943 619658909 /nfs/dbraw/zinc/65/89/09/619658909.db2.gz SSGLNHGSJFOZHV-UHFFFAOYSA-N 1 0 291.391 3.222 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H]2C)c1 ZINC000793231093 619709224 /nfs/dbraw/zinc/70/92/24/619709224.db2.gz KSQCIWOKXCKOEH-SKDRFNHKSA-N 1 0 289.297 3.174 20 10 CGCDRO COC[C@@H](CC(C)(C)C)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000895188314 619773979 /nfs/dbraw/zinc/77/39/79/619773979.db2.gz LHPUJUGSZCYJBW-CQSZACIVSA-N 1 0 295.423 3.250 20 10 CGCDRO CCCOc1ccc(C[NH2+]C[C@H]2CC(C)=NO2)cc1C ZINC000895301266 619800577 /nfs/dbraw/zinc/80/05/77/619800577.db2.gz HLAMRRTWTPEOAH-OAHLLOKOSA-N 1 0 276.380 3.038 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]CC[C@H]1CCCC1(F)F ZINC000895545191 619847580 /nfs/dbraw/zinc/84/75/80/619847580.db2.gz PXTOLSQUUAIVFI-LLVKDONJSA-N 1 0 273.298 3.446 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]CC[C@@H]1CCCC1(F)F ZINC000895545192 619847803 /nfs/dbraw/zinc/84/78/03/619847803.db2.gz PXTOLSQUUAIVFI-NSHDSACASA-N 1 0 273.298 3.446 20 10 CGCDRO COc1cc(O)c(C[NH2+][C@@H]2C[C@@H]3CCCC[C@H]23)cc1OC ZINC000895625854 619861068 /nfs/dbraw/zinc/86/10/68/619861068.db2.gz GHBLBUXTCGKKGD-FPMFFAJLSA-N 1 0 291.391 3.078 20 10 CGCDRO COC(=O)c1ccc(C[NH2+][C@H](C)c2ccccc2O)cc1C ZINC000895852365 619897369 /nfs/dbraw/zinc/89/73/69/619897369.db2.gz TWQGNRTVPJFTSE-CYBMUJFWSA-N 1 0 299.370 3.338 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1C[C@]1(C)Br)c1ccccc1O ZINC000895850970 619897426 /nfs/dbraw/zinc/89/74/26/619897426.db2.gz HKPUAPHKKVTDJQ-NRUUGDAUSA-N 1 0 284.197 3.216 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCS[C@@H](C(F)(F)F)C2)c(O)c1 ZINC000896454199 620009488 /nfs/dbraw/zinc/00/94/88/620009488.db2.gz VASBNKAPXZSRMN-GFCCVEGCSA-N 1 0 291.338 3.180 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCS[C@H](C)C1 ZINC000896951544 620111771 /nfs/dbraw/zinc/11/17/71/620111771.db2.gz KFBZDCBHQHDGFG-UKRRQHHQSA-N 1 0 278.465 3.435 20 10 CGCDRO COc1ccc(C[NH2+]CC2CCC=CCC2)c(O)c1OC ZINC000897242982 620170266 /nfs/dbraw/zinc/17/02/66/620170266.db2.gz VPMCOUWBPQGNIV-UHFFFAOYSA-N 1 0 291.391 3.245 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]CC[C@@H]1CCC2(CCC2)O1 ZINC000897246580 620171958 /nfs/dbraw/zinc/17/19/58/620171958.db2.gz XBSIZWWVOBNEPR-AWEZNQCLSA-N 1 0 275.392 3.282 20 10 CGCDRO CCCCOC(=O)[C@H](C)[N@H+](CCC)Cc1ccccc1O ZINC000303956516 620196136 /nfs/dbraw/zinc/19/61/36/620196136.db2.gz XOCFQVDPEOFXLP-AWEZNQCLSA-N 1 0 293.407 3.336 20 10 CGCDRO c1cc2c(cc1C[NH2+]C[C@H]1CC[C@@H](C3CC3)O1)CCCO2 ZINC000897501282 620355697 /nfs/dbraw/zinc/35/56/97/620355697.db2.gz QVMMIQMCRUWUAX-AEFFLSMTSA-N 1 0 287.403 3.059 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CC[C@@H](C3CC3)O2)cc1C ZINC000897512442 620360248 /nfs/dbraw/zinc/36/02/48/620360248.db2.gz ZHMCIVBIAOJNGD-WBVHZDCISA-N 1 0 275.392 3.056 20 10 CGCDRO Cc1cccc(C[NH2+]CCc2ccc(N)cc2)c1C ZINC000841036500 620445135 /nfs/dbraw/zinc/44/51/35/620445135.db2.gz PEFNZQQHWVPTHC-UHFFFAOYSA-N 1 0 254.377 3.218 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1cncs1 ZINC000897929290 620450064 /nfs/dbraw/zinc/45/00/64/620450064.db2.gz PPYAJIDLKGKCOC-LLVKDONJSA-N 1 0 274.389 3.319 20 10 CGCDRO Cc1cc(O)c(CN2CCC([NH2+]C3CCC3)CC2)cc1C ZINC000897982175 620462195 /nfs/dbraw/zinc/46/21/95/620462195.db2.gz WVVFWRVVVLGUBB-UHFFFAOYSA-N 1 0 288.435 3.116 20 10 CGCDRO C[C@@H]1CC[C@H]([NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)C[C@@H]1C ZINC000841045563 620544154 /nfs/dbraw/zinc/54/41/54/620544154.db2.gz MVHAHHOHQXSAAC-YQYZPQCESA-N 1 0 289.467 3.167 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C2([C@@H]3CCCCO3)CC2)c1 ZINC000927160703 620613153 /nfs/dbraw/zinc/61/31/53/620613153.db2.gz MRIPOEODFAGXAZ-CJNGLKHVSA-N 1 0 275.392 3.453 20 10 CGCDRO C[C@H]([NH2+]Cc1ccccc1O)[C@H]1COc2ccccc2C1 ZINC000902786370 621446211 /nfs/dbraw/zinc/44/62/11/621446211.db2.gz NDLMGQIUUUNSTD-XJKSGUPXSA-N 1 0 283.371 3.122 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CC2(C3(O)CCC3)CC2)c(O)c1C ZINC000903257909 621645339 /nfs/dbraw/zinc/64/53/39/621645339.db2.gz MVADQLGWELYGSE-CQSZACIVSA-N 1 0 289.419 3.355 20 10 CGCDRO C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1O)c1cncs1 ZINC000903311084 621683778 /nfs/dbraw/zinc/68/37/78/621683778.db2.gz MXCJLJNUDRHSCC-RKDXNWHRSA-N 1 0 266.341 3.400 20 10 CGCDRO C[C@H]([NH2+]CC[C@H](O)C1CC1)c1cc2c(cc1O)CCCC2 ZINC000903405898 621729950 /nfs/dbraw/zinc/72/99/50/621729950.db2.gz FWUIJZLSLCNGTR-SJCJKPOMSA-N 1 0 289.419 3.083 20 10 CGCDRO Oc1cc2c(cc1C[NH2+]Cc1ccc(Cl)cc1)OCO2 ZINC000042879611 621888656 /nfs/dbraw/zinc/88/86/56/621888656.db2.gz QGEYJKIZUWUFSW-UHFFFAOYSA-N 1 0 291.734 3.064 20 10 CGCDRO COc1cc(C)cc(C[N@H+]2C[C@@H](C)S[C@@H](C)C2)c1O ZINC000164415977 622834397 /nfs/dbraw/zinc/83/43/97/622834397.db2.gz YRQKAXMUMACRCN-TXEJJXNPSA-N 1 0 281.421 3.035 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H]2COCc3ccccc32)cc1 ZINC000225980798 622935375 /nfs/dbraw/zinc/93/53/75/622935375.db2.gz ZJCJINGVXGTLNU-GOSISDBHSA-N 1 0 282.387 3.114 20 10 CGCDRO CC1(C)C[C@H]1C[NH2+]Cc1cc(Br)ccc1O ZINC000226256489 622958939 /nfs/dbraw/zinc/95/89/39/622958939.db2.gz BNQSYDYYKDEGHF-JTQLQIEISA-N 1 0 284.197 3.290 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCCCS2)c1 ZINC000157982903 622989583 /nfs/dbraw/zinc/98/95/83/622989583.db2.gz ILZWULVEZDSKLM-AAEUAGOBSA-N 1 0 281.421 3.337 20 10 CGCDRO COc1ccc(C[NH2+]C[C@H]2CCCCS2)cc1C ZINC000158015370 622992860 /nfs/dbraw/zinc/99/28/60/622992860.db2.gz NALIIYQYOABBAS-CQSZACIVSA-N 1 0 265.422 3.379 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@H]2CCCCC[C@@H]2C)c1 ZINC000088507397 623463331 /nfs/dbraw/zinc/46/33/31/623463331.db2.gz SLRMBXPMSAAHBZ-WFASDCNBSA-N 1 0 263.381 3.459 20 10 CGCDRO COc1ccc(N2CCC([NH2+][C@H]3CCC[C@@H]3C)CC2)cc1 ZINC000151872060 623579596 /nfs/dbraw/zinc/57/95/96/623579596.db2.gz ZBUNQVOVRYFNMX-KSSFIOAISA-N 1 0 288.435 3.442 20 10 CGCDRO Oc1ccc(F)cc1C[N@@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000245911376 623881392 /nfs/dbraw/zinc/88/13/92/623881392.db2.gz FXAKSAAZWQIZCU-HIFRSBDPSA-N 1 0 281.396 3.391 20 10 CGCDRO CC[N@H+](CCOC)Cc1cc(C)cc(C(C)(C)C)c1O ZINC000921046550 624565611 /nfs/dbraw/zinc/56/56/11/624565611.db2.gz LYGWNSIMMXVXIH-UHFFFAOYSA-N 1 0 279.424 3.466 20 10 CGCDRO C[N@@H+](Cc1cc(F)ccc1O)Cc1ccccc1F ZINC000179883839 624694931 /nfs/dbraw/zinc/69/49/31/624694931.db2.gz DUFDUHANRGXGIM-UHFFFAOYSA-N 1 0 263.287 3.302 20 10 CGCDRO CS[C@H]1CCCC[N@H+](Cc2cccc(C)c2O)C1 ZINC000180763279 624771127 /nfs/dbraw/zinc/77/11/27/624771127.db2.gz ATNAWHLRBGGSLB-AWEZNQCLSA-N 1 0 265.422 3.418 20 10 CGCDRO CCC(CC)(CC)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000182225171 624963416 /nfs/dbraw/zinc/96/34/16/624963416.db2.gz HJHGXIDNSXLOHK-UHFFFAOYSA-N 1 0 281.396 3.468 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C1CCCC1 ZINC000070306145 624996321 /nfs/dbraw/zinc/99/63/21/624996321.db2.gz RDMYOANLJRVWMJ-HNNXBMFYSA-N 1 0 288.435 3.192 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cnc(Cl)s2)c1 ZINC000182467602 625004790 /nfs/dbraw/zinc/00/47/90/625004790.db2.gz RCPQIBODVZCMLU-QMMMGPOBSA-N 1 0 298.795 3.362 20 10 CGCDRO C[N@H+](CCC(=O)c1ccccc1)Cc1ccccc1O ZINC000182652080 625024038 /nfs/dbraw/zinc/02/40/38/625024038.db2.gz QZKZOPIOPGBCNX-UHFFFAOYSA-N 1 0 269.344 3.097 20 10 CGCDRO C[N@H+](CCOc1ccccc1)Cc1cc(F)ccc1O ZINC000183244569 625057275 /nfs/dbraw/zinc/05/72/75/625057275.db2.gz HVTIFGGJGGXCNC-UHFFFAOYSA-N 1 0 275.323 3.042 20 10 CGCDRO CC[C@@H]([NH2+]Cc1scnc1C)c1ccccc1O ZINC000071212389 625065755 /nfs/dbraw/zinc/06/57/55/625065755.db2.gz KOFZLZWUARSFEM-GFCCVEGCSA-N 1 0 262.378 3.398 20 10 CGCDRO CC(C)c1noc(CCC[NH2+][C@@H](C)c2ccccc2O)n1 ZINC000183485724 625080113 /nfs/dbraw/zinc/08/01/13/625080113.db2.gz WFBBWEPEDUXHFZ-LBPRGKRZSA-N 1 0 289.379 3.182 20 10 CGCDRO CC[C@@H](C)[N@H+](C)Cc1cc(Cl)cc(OC)c1O ZINC000184679634 625261844 /nfs/dbraw/zinc/26/18/44/625261844.db2.gz LZMYKGJRWSMYQR-SECBINFHSA-N 1 0 257.761 3.285 20 10 CGCDRO Oc1ccccc1CC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921652566 625808035 /nfs/dbraw/zinc/80/80/35/625808035.db2.gz ZPHFQLUSRJSKQZ-UHFFFAOYSA-N 1 0 283.371 3.050 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cnn(C2CCC2)c1 ZINC000921746774 625862257 /nfs/dbraw/zinc/86/22/57/625862257.db2.gz IBNMJWDRYLNTRP-UHFFFAOYSA-N 1 0 298.434 3.272 20 10 CGCDRO c1cc(C[NH2+]Cc2ccc3c(c2)CCCO3)cc2c1COC2 ZINC000921863729 625917562 /nfs/dbraw/zinc/91/75/62/625917562.db2.gz XLUXLOWUDCREIQ-UHFFFAOYSA-N 1 0 295.382 3.332 20 10 CGCDRO c1cc2c(cc1C[NH2+][C@@H]1[C@H]3CCO[C@H]3C13CCC3)CCCO2 ZINC000921934490 625933957 /nfs/dbraw/zinc/93/39/57/625933957.db2.gz GLBAUILJAUAXPX-KBAYOESNSA-N 1 0 299.414 3.059 20 10 CGCDRO COCCC(C)(C)C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921995297 625956779 /nfs/dbraw/zinc/95/67/79/625956779.db2.gz FLLMGLOZGUJZEM-UHFFFAOYSA-N 1 0 277.408 3.164 20 10 CGCDRO C[C@@H](CC(F)(F)F)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922002824 625959363 /nfs/dbraw/zinc/95/93/63/625959363.db2.gz URESDBGSBFLIBQ-JTQLQIEISA-N 1 0 273.298 3.442 20 10 CGCDRO c1ccc2c(c1)OC[C@@H]2C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922134998 625971595 /nfs/dbraw/zinc/97/15/95/625971595.db2.gz TZXLUGZOMATESX-INIZCTEOSA-N 1 0 295.382 3.277 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]CCCO[C@@H]1CCCCO1 ZINC000922232174 625987668 /nfs/dbraw/zinc/98/76/68/625987668.db2.gz HQHXXDINLSZMBK-OAHLLOKOSA-N 1 0 299.798 3.069 20 10 CGCDRO CCO[C@@H]1CCC[C@H]([NH2+]Cc2cc(C)ccc2O)C1 ZINC000922285661 625993303 /nfs/dbraw/zinc/99/33/03/625993303.db2.gz OAOAKNYUOGRKTC-LSDHHAIUSA-N 1 0 263.381 3.138 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)[C@@H]1CCCOC1 ZINC000922335402 625999515 /nfs/dbraw/zinc/99/95/15/625999515.db2.gz RUIDCOZNLABNMH-IAGOWNOFSA-N 1 0 289.419 3.306 20 10 CGCDRO COc1ccc(C[NH2+]Cc2ccc3c(c2)C[C@@H](C)O3)c(O)c1 ZINC000922702529 626036256 /nfs/dbraw/zinc/03/62/56/626036256.db2.gz NKPYWCWKMKJWEI-GFCCVEGCSA-N 1 0 299.370 3.014 20 10 CGCDRO C[C@H]([NH2+]Cc1cnc(C2CC2)nc1)c1ccc(N(C)C)cc1 ZINC000839014819 626298513 /nfs/dbraw/zinc/29/85/13/626298513.db2.gz HVPIDGVTJQZHQQ-ZDUSSCGKSA-N 1 0 296.418 3.271 20 10 CGCDRO CCC(CC)[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839145929 626316905 /nfs/dbraw/zinc/31/69/05/626316905.db2.gz VIHWXWGDMVAKSR-UHFFFAOYSA-N 1 0 298.377 3.080 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2C[C@H]2CC(C)C)c1 ZINC000839163477 626330305 /nfs/dbraw/zinc/33/03/05/626330305.db2.gz VOCXDCZIIRIDHI-LALPHHSUSA-N 1 0 263.381 3.486 20 10 CGCDRO CN(C)c1ccc(C[N@H+](CCC2(O)CCC2)C2CC2)cc1 ZINC000839467329 626354515 /nfs/dbraw/zinc/35/45/15/626354515.db2.gz DCHDFVKSITUGAG-UHFFFAOYSA-N 1 0 288.435 3.022 20 10 CGCDRO CO[C@H]1CC[N@H+](Cc2cc(C)cc(C(C)(C)C)c2O)C1 ZINC000751945359 626412714 /nfs/dbraw/zinc/41/27/14/626412714.db2.gz MJNRMGWSVSHYNP-AWEZNQCLSA-N 1 0 277.408 3.219 20 10 CGCDRO [NH3+]CCCN(Cc1cc(F)ccc1O)c1ccccc1F ZINC000753588261 626457265 /nfs/dbraw/zinc/45/72/65/626457265.db2.gz BXHIVVLCAOTPLE-UHFFFAOYSA-N 1 0 292.329 3.026 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)c1 ZINC000754738796 626585828 /nfs/dbraw/zinc/58/58/28/626585828.db2.gz GCSXQBKDJJTFPO-ZBFHGGJFSA-N 1 0 275.392 3.010 20 10 CGCDRO C[C@H]1C[C@@H]([NH2+]CCc2ccccn2)c2c1c(F)ccc2O ZINC000756339682 626693575 /nfs/dbraw/zinc/69/35/75/626693575.db2.gz BZIVFUFGGPVXGA-SMDDNHRTSA-N 1 0 286.350 3.307 20 10 CGCDRO C[C@H]1C[C@H]([NH2+]Cc2ccco2)c2c1c(F)ccc2O ZINC000756344169 626694048 /nfs/dbraw/zinc/69/40/48/626694048.db2.gz RNJUWFPLGHIJFL-CABZTGNLSA-N 1 0 261.296 3.462 20 10 CGCDRO C[C@H]1C[C@@H]([NH2+]CCN2CCCCC2)c2c1c(F)ccc2O ZINC000756397172 626701014 /nfs/dbraw/zinc/70/10/14/626701014.db2.gz ORBZKOLLWAVEFW-GXTWGEPZSA-N 1 0 292.398 3.155 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCN2CCC[C@@H](C)C2)c(O)c1C ZINC000756415065 626703784 /nfs/dbraw/zinc/70/37/84/626703784.db2.gz JUOOUCDULDUJSL-CJNGLKHVSA-N 1 0 290.451 3.392 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccccc2CO)c(O)c1C ZINC000756456102 626706902 /nfs/dbraw/zinc/70/69/02/626706902.db2.gz GDSJINUNHHMBLP-AWEZNQCLSA-N 1 0 285.387 3.352 20 10 CGCDRO C[C@H](O)C[C@H](C)C[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756606200 626719904 /nfs/dbraw/zinc/71/99/04/626719904.db2.gz WMLCRTVAHVDULL-ZPFDUUQYSA-N 1 0 281.371 3.076 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCN(C)[C@H](C)C2)c2c1c(F)ccc2O ZINC000756615965 626720309 /nfs/dbraw/zinc/72/03/09/626720309.db2.gz XTYIZTRPKRBKBC-NMKXLXIOSA-N 1 0 292.398 3.152 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(C)[C@H](C)C2)c(O)c1C ZINC000756613711 626720858 /nfs/dbraw/zinc/72/08/58/626720858.db2.gz QICHMYRSJVMGRN-SNPRPXQTSA-N 1 0 276.424 3.142 20 10 CGCDRO CC[C@H](C[C@@H](C)CO)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000756628740 626722290 /nfs/dbraw/zinc/72/22/90/626722290.db2.gz XEHPYDTURSDYPY-NTZNESFSSA-N 1 0 285.815 3.493 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)Cc2ccncc2)c(O)c1 ZINC000756636956 626722644 /nfs/dbraw/zinc/72/26/44/626722644.db2.gz YCVPVIGXZVQHTB-ZIAGYGMSSA-N 1 0 270.376 3.377 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCNc2ccccc2)c1 ZINC000756643136 626723951 /nfs/dbraw/zinc/72/39/51/626723951.db2.gz RTRXIHTVIDGRFP-CYBMUJFWSA-N 1 0 286.375 3.164 20 10 CGCDRO CCC1(O)CCC([NH2+][C@H](C)c2cc(F)ccc2O)CC1 ZINC000756665375 626725735 /nfs/dbraw/zinc/72/57/35/626725735.db2.gz UXPOHOZVXQTIRI-FFKNIBCLSA-N 1 0 281.371 3.266 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC2Cc3ccccc3C2)c1 ZINC000756714256 626727309 /nfs/dbraw/zinc/72/73/09/626727309.db2.gz YUTNSWQCWJACIV-CYBMUJFWSA-N 1 0 297.398 3.466 20 10 CGCDRO CC[C@H](O)CCC[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000756736683 626728560 /nfs/dbraw/zinc/72/85/60/626728560.db2.gz CGBBGLYUYDFPCG-JQWIXIFHSA-N 1 0 271.788 3.247 20 10 CGCDRO COC[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)C1CC1 ZINC000756769323 626730854 /nfs/dbraw/zinc/73/08/54/626730854.db2.gz QBDHLRXDDHLUOW-ICCXJUOJSA-N 1 0 279.355 3.094 20 10 CGCDRO C[C@H]([NH2+]Cc1ncccc1F)c1cc(Cl)ccc1O ZINC000756768802 626730897 /nfs/dbraw/zinc/73/08/97/626730897.db2.gz MRXNNUYXVFTISH-VIFPVBQESA-N 1 0 280.730 3.431 20 10 CGCDRO C[C@H]1C[C@@H]([NH2+]Cc2ncccc2F)c2c1c(F)ccc2O ZINC000756768181 626730902 /nfs/dbraw/zinc/73/09/02/626730902.db2.gz KQLKVKPZQKIFDB-JOYOIKCWSA-N 1 0 290.313 3.404 20 10 CGCDRO CCc1ccc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)nc1 ZINC000839540397 626760260 /nfs/dbraw/zinc/76/02/60/626760260.db2.gz USVJLNBTQOOAGG-LBPRGKRZSA-N 1 0 286.375 3.209 20 10 CGCDRO COC1([C@@H](C)[NH2+]Cc2ccc(N3CCCC3)cc2)CCC1 ZINC000839658114 626770618 /nfs/dbraw/zinc/77/06/18/626770618.db2.gz AYKVXOAJELFYEU-OAHLLOKOSA-N 1 0 288.435 3.334 20 10 CGCDRO CCC1([NH2+]Cc2cc(C)c(C)cc2O)CCOCC1 ZINC000761338288 627033846 /nfs/dbraw/zinc/03/38/46/627033846.db2.gz RFCGYXXSEIJSOW-UHFFFAOYSA-N 1 0 263.381 3.058 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCc2ccncc2)c1 ZINC000765004888 627236125 /nfs/dbraw/zinc/23/61/25/627236125.db2.gz YZFIITFTPSXXFJ-ZDUSSCGKSA-N 1 0 286.375 3.079 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@H]2CC(C)(C)OC2(C)C)cc1F ZINC000765473588 627251679 /nfs/dbraw/zinc/25/16/79/627251679.db2.gz HNZKAHCKXZLUNM-HNNXBMFYSA-N 1 0 294.414 3.327 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2c(O)ccc3ccncc32)C[C@H]1C ZINC000766375144 627324098 /nfs/dbraw/zinc/32/40/98/627324098.db2.gz RMJZWWZWNZJPLE-CHWSQXEVSA-N 1 0 270.376 3.418 20 10 CGCDRO CSC[C@H]1CCC[N@@H+]1Cc1c(O)ccc2ccncc21 ZINC000767774702 627436568 /nfs/dbraw/zinc/43/65/68/627436568.db2.gz KUTWUZLXKZEWBC-CYBMUJFWSA-N 1 0 288.416 3.268 20 10 CGCDRO CCOc1ccc(C[NH2+][C@H]2CCCC(F)(F)C2)c(O)c1 ZINC000767929167 627444730 /nfs/dbraw/zinc/44/47/30/627444730.db2.gz KKQDTPZJQQWFBS-LBPRGKRZSA-N 1 0 285.334 3.458 20 10 CGCDRO C[C@H]([NH2+]CCCSc1nccs1)c1cscn1 ZINC000768105025 627458733 /nfs/dbraw/zinc/45/87/33/627458733.db2.gz YWAOSXVOBCZVOO-VIFPVBQESA-N 1 0 285.463 3.433 20 10 CGCDRO C[C@@H]([NH2+]CCCSc1nccs1)c1cscn1 ZINC000768105021 627458955 /nfs/dbraw/zinc/45/89/55/627458955.db2.gz YWAOSXVOBCZVOO-SECBINFHSA-N 1 0 285.463 3.433 20 10 CGCDRO COc1cccc(O)c1C[N@H+](C)Cc1ccc(F)cc1 ZINC000768175911 627465841 /nfs/dbraw/zinc/46/58/41/627465841.db2.gz XQCYQFKWQSFVMY-UHFFFAOYSA-N 1 0 275.323 3.172 20 10 CGCDRO COc1cc(C[N@@H+]2CC[C@H](c3ccco3)C2)c(O)cc1C ZINC000768448666 627480853 /nfs/dbraw/zinc/48/08/53/627480853.db2.gz VDIYPXBJKUYZOT-ZDUSSCGKSA-N 1 0 287.359 3.292 20 10 CGCDRO CC[C@]1(C)CC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000768463712 627481417 /nfs/dbraw/zinc/48/14/17/627481417.db2.gz LNNNEWXQKWULEU-MRXNPFEDSA-N 1 0 279.380 3.031 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](CC)C2)c1 ZINC000768846327 627503582 /nfs/dbraw/zinc/50/35/82/627503582.db2.gz MHYJWFXLUXIFOS-CYBMUJFWSA-N 1 0 263.381 3.413 20 10 CGCDRO CO[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000769445588 627552895 /nfs/dbraw/zinc/55/28/95/627552895.db2.gz HFSQLGLUJWBPHP-QGZVFWFLSA-N 1 0 283.371 3.280 20 10 CGCDRO COc1cccc(O)c1C[N@H+](C)[C@H]1C[C@](C)(OC)C1(C)C ZINC000769548618 627564916 /nfs/dbraw/zinc/56/49/16/627564916.db2.gz IZCGTDMFPLHALJ-RDJZCZTQSA-N 1 0 293.407 3.036 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](CO)c2ccsc2)c1 ZINC000769989791 627595913 /nfs/dbraw/zinc/59/59/13/627595913.db2.gz QIVCJBPVEUSATN-RISCZKNCSA-N 1 0 277.389 3.146 20 10 CGCDRO CC(C)CO[C@H]1CC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000770329805 627613866 /nfs/dbraw/zinc/61/38/66/627613866.db2.gz SNWDPKNHFKBOLP-HNNXBMFYSA-N 1 0 294.414 3.139 20 10 CGCDRO CC[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)ccc2O)C[C@H]1O ZINC000770381245 627616127 /nfs/dbraw/zinc/61/61/27/627616127.db2.gz ORGSIGGZKGJXDE-AUUYWEPGSA-N 1 0 297.398 3.262 20 10 CGCDRO Cc1ncc(C[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)cn1 ZINC000771792223 627731692 /nfs/dbraw/zinc/73/16/92/627731692.db2.gz XVXCOBOSTFXJEJ-UHFFFAOYSA-N 1 0 298.434 3.262 20 10 CGCDRO COc1cccc(O)c1C[N@H+](C)Cc1ccccc1 ZINC000771928039 627745963 /nfs/dbraw/zinc/74/59/63/627745963.db2.gz LKJSFYGAMALYCR-UHFFFAOYSA-N 1 0 257.333 3.033 20 10 CGCDRO CCN(C)c1ccc(C[N@H+](C)[C@@H]2CCN(C)[C@H](C)C2)cc1 ZINC000773756972 627911054 /nfs/dbraw/zinc/91/10/54/627911054.db2.gz XYFBWJHFDJQQLW-CRAIPNDOSA-N 1 0 289.467 3.057 20 10 CGCDRO CCCN(c1ccc(C[NH3+])cc1)C1CC(C(F)F)C1 ZINC000775139483 628067278 /nfs/dbraw/zinc/06/72/78/628067278.db2.gz BEFLPDIKVVLXFP-UHFFFAOYSA-N 1 0 268.351 3.405 20 10 CGCDRO C[N@H+](Cc1cc(C(C)(C)C)n[nH]1)Cc1ccccc1O ZINC000775203285 628071764 /nfs/dbraw/zinc/07/17/64/628071764.db2.gz DWBXUKFWEKGJGP-UHFFFAOYSA-N 1 0 273.380 3.045 20 10 CGCDRO COCc1ccc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)o1 ZINC000775363229 628086444 /nfs/dbraw/zinc/08/64/44/628086444.db2.gz LTBUQTQOLMNEGD-CYBMUJFWSA-N 1 0 288.391 3.343 20 10 CGCDRO C[C@@H]([NH2+]Cc1cccc2nccn21)c1ccc(N(C)C)cc1 ZINC000775362560 628086491 /nfs/dbraw/zinc/08/64/91/628086491.db2.gz IDAVGWKLRHEMFO-CQSZACIVSA-N 1 0 294.402 3.251 20 10 CGCDRO CC[C@H]([NH2+]CCN1CCCC[C@H]1C)c1ccccc1O ZINC000775489215 628100237 /nfs/dbraw/zinc/10/02/37/628100237.db2.gz UTHZTVGZXLLLSY-ZBFHGGJFSA-N 1 0 276.424 3.307 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](O)CC(C)C)c1cc(Cl)ccc1O ZINC000775498252 628101184 /nfs/dbraw/zinc/10/11/84/628101184.db2.gz ZNSDACMJUQAJMU-JSGCOSHPSA-N 1 0 285.815 3.493 20 10 CGCDRO CC[C@@H]([NH2+]CCN1CC[C@@H](C)C1)c1cc(Cl)ccc1O ZINC000775513669 628102480 /nfs/dbraw/zinc/10/24/80/628102480.db2.gz RSKFEPDQYRCNMJ-IUODEOHRSA-N 1 0 296.842 3.428 20 10 CGCDRO COc1cc(O)c(C[N@H+](C)Cc2ccsc2)cc1OC ZINC000775644152 628118370 /nfs/dbraw/zinc/11/83/70/628118370.db2.gz DLZOMKSTENKJDP-UHFFFAOYSA-N 1 0 293.388 3.103 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCc3ccc(O)cc3CC2)c1O ZINC000775666179 628123022 /nfs/dbraw/zinc/12/30/22/628123022.db2.gz UFNAHCMUIJJWQS-UHFFFAOYSA-N 1 0 283.371 3.007 20 10 CGCDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2cccc(C)c2O)C1(C)C ZINC000775715076 628128604 /nfs/dbraw/zinc/12/86/04/628128604.db2.gz BHFBLFNGKOUKOE-LSDHHAIUSA-N 1 0 277.408 3.336 20 10 CGCDRO CO[C@@]1(C)C[C@@H]([N@H+](C)Cc2cccc(C)c2O)C1(C)C ZINC000775735541 628131608 /nfs/dbraw/zinc/13/16/08/628131608.db2.gz RPYRJWYKFIKPLZ-PBHICJAKSA-N 1 0 277.408 3.336 20 10 CGCDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@H](C)c2ccc(N(C)C)cc2)C1(C)C ZINC000776167034 628174628 /nfs/dbraw/zinc/17/46/28/628174628.db2.gz JLHPNKHTJBPLIZ-BQGCOEIASA-N 1 0 290.451 3.463 20 10 CGCDRO Cc1cccc(C[NH2+]C2(c3ccc4c(c3)OCO4)CC2)c1O ZINC000776251472 628184587 /nfs/dbraw/zinc/18/45/87/628184587.db2.gz ZPHHBDHHKIPOOL-UHFFFAOYSA-N 1 0 297.354 3.208 20 10 CGCDRO CSc1cc(C[NH2+]Cc2cccc(C)c2O)ccn1 ZINC000777507289 628276766 /nfs/dbraw/zinc/27/67/66/628276766.db2.gz UFDAWJVRUDXZIL-UHFFFAOYSA-N 1 0 274.389 3.107 20 10 CGCDRO CCOc1ccc(C[NH2+][C@@H]2CC(C)(C)OC2(C)C)c(O)c1 ZINC000778112949 628326478 /nfs/dbraw/zinc/32/64/78/628326478.db2.gz GURJDTMPOPEFJM-OAHLLOKOSA-N 1 0 293.407 3.227 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000779000564 628382545 /nfs/dbraw/zinc/38/25/45/628382545.db2.gz WOYBMLDAQLPOGA-KKNUOHPOSA-N 1 0 257.377 3.403 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C2CC(OC(C)(C)C)C2)cc1 ZINC000779003673 628382615 /nfs/dbraw/zinc/38/26/15/628382615.db2.gz NSTOZZFGSNLVEC-UHFFFAOYSA-N 1 0 276.424 3.188 20 10 CGCDRO CCOC[C@H](C)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000779071516 628386813 /nfs/dbraw/zinc/38/68/13/628386813.db2.gz GQPVNGIUBPDANA-STQMWFEESA-N 1 0 277.408 3.347 20 10 CGCDRO C[C@H]1CC(C)(C)C[C@](CO)([NH2+]Cc2cc(F)ccc2O)C1 ZINC000779119641 628389337 /nfs/dbraw/zinc/38/93/37/628389337.db2.gz DLZJACYVIMKGKH-YVEFUNNKSA-N 1 0 295.398 3.198 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H]([C@H](C)O)C2)cc1 ZINC000780892969 628522842 /nfs/dbraw/zinc/52/28/42/628522842.db2.gz SKETXDZULFNSIS-DOTOQJQBSA-N 1 0 290.451 3.126 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@]3(CC[C@@H](C)C3)C2)c1 ZINC000781929923 628606487 /nfs/dbraw/zinc/60/64/87/628606487.db2.gz TVXAPYKKSVXKHA-CXAGYDPISA-N 1 0 275.392 3.413 20 10 CGCDRO CC1(C)CCC[C@@](O)(C[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000782535643 628653645 /nfs/dbraw/zinc/65/36/45/628653645.db2.gz SJHKWSFDRXILMN-SFHVURJKSA-N 1 0 289.419 3.042 20 10 CGCDRO CO[C@@H]1[C@H](C)[C@H]([NH2+][C@H](C)c2ccccc2O)C1(C)C ZINC000783526159 628722101 /nfs/dbraw/zinc/72/21/01/628722101.db2.gz RVYQOCCJFMDZPI-HKCMKHECSA-N 1 0 263.381 3.102 20 10 CGCDRO CN(C)c1ccc(C[NH+]2CC(C)(C)OC(C)(C)C2)cc1 ZINC000785989583 628905739 /nfs/dbraw/zinc/90/57/39/628905739.db2.gz HRGXOMFOAXKBCZ-UHFFFAOYSA-N 1 0 276.424 3.142 20 10 CGCDRO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000785988325 628906020 /nfs/dbraw/zinc/90/60/20/628906020.db2.gz LDHGCYRJTZTLAG-SUNKGSAMSA-N 1 0 283.799 3.027 20 10 CGCDRO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000788269386 629044083 /nfs/dbraw/zinc/04/40/83/629044083.db2.gz MACHPQVMLMQHJR-DYVFJYSZSA-N 1 0 283.371 3.014 20 10 CGCDRO CCCCOCC[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000788576331 629065506 /nfs/dbraw/zinc/06/55/06/629065506.db2.gz ZBYJKNIYRPWZKK-AWEZNQCLSA-N 1 0 265.397 3.476 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)[C@@]1(C)CCCO1 ZINC000788585870 629065997 /nfs/dbraw/zinc/06/59/97/629065997.db2.gz XBWAWTDLOZJWAP-KBXCAEBGSA-N 1 0 288.435 3.116 20 10 CGCDRO CC1=CC[C@@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000788581381 629066293 /nfs/dbraw/zinc/06/62/93/629066293.db2.gz AEIORESVQRWGBE-CQSZACIVSA-N 1 0 262.372 3.480 20 10 CGCDRO CC[C@H](O)CCC[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000788661603 629070612 /nfs/dbraw/zinc/07/06/12/629070612.db2.gz BHEHSCFGJJVDCG-KGLIPLIRSA-N 1 0 265.397 3.211 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CC2(CO)CCCC2)c(O)c1 ZINC000788756670 629078760 /nfs/dbraw/zinc/07/87/60/629078760.db2.gz YFNINMUMJUWVEM-CQSZACIVSA-N 1 0 277.408 3.212 20 10 CGCDRO Cc1ncc(C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)o1 ZINC000862221878 629325400 /nfs/dbraw/zinc/32/54/00/629325400.db2.gz JBGFTWCSZKFEEO-UHFFFAOYSA-N 1 0 287.407 3.460 20 10 CGCDRO C[C@H](C1CC1)[N@H+](C)Cc1cc(F)c(N(C)C)cc1F ZINC000862224809 629326432 /nfs/dbraw/zinc/32/64/32/629326432.db2.gz LXJIUYNZEBHISL-SNVBAGLBSA-N 1 0 268.351 3.261 20 10 CGCDRO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2O)C[C@H](C)C1(F)F ZINC000862442263 629373952 /nfs/dbraw/zinc/37/39/52/629373952.db2.gz HDPCKYWAGNTGRC-AOOOYVTPSA-N 1 0 273.298 3.254 20 10 CGCDRO COc1ccc(O)c(C[NH+]2C[C@@H](C)C(F)(F)[C@H](C)C2)c1 ZINC000862442253 629374716 /nfs/dbraw/zinc/37/47/16/629374716.db2.gz GZQJGAKAGVLUMO-GHMZBOCLSA-N 1 0 285.334 3.124 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)C2CC2)c(C(F)(F)F)c1 ZINC000792788064 629382109 /nfs/dbraw/zinc/38/21/09/629382109.db2.gz VTIGEXKLSAIFMO-UHFFFAOYSA-N 1 0 272.314 3.366 20 10 CGCDRO COc1cccc(O)c1C[NH+]1CC(Cc2cccs2)C1 ZINC000862537523 629395224 /nfs/dbraw/zinc/39/52/24/629395224.db2.gz CAYWPLCARHQIPZ-UHFFFAOYSA-N 1 0 289.400 3.137 20 10 CGCDRO Cc1ccccc1-n1nccc1C[NH2+]Cc1ccccc1O ZINC000792952809 629397043 /nfs/dbraw/zinc/39/70/43/629397043.db2.gz UDNCLCOQEQNVJK-UHFFFAOYSA-N 1 0 293.370 3.176 20 10 CGCDRO COc1cc(O)c(C[NH2+]C[C@H]2CCCC23CC3)cc1OC ZINC000862547425 629398921 /nfs/dbraw/zinc/39/89/21/629398921.db2.gz FXQMAECOFGNSDC-CYBMUJFWSA-N 1 0 291.391 3.079 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)cc1C ZINC000793220084 629430449 /nfs/dbraw/zinc/43/04/49/629430449.db2.gz QYCTVXITHVSIOF-CXAGYDPISA-N 1 0 275.392 3.008 20 10 CGCDRO COc1cccc(O)c1C[NH2+]Cc1ccc2ncccc2c1 ZINC000793269132 629437608 /nfs/dbraw/zinc/43/76/08/629437608.db2.gz KVQKYHKSTYOUKA-UHFFFAOYSA-N 1 0 294.354 3.239 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H]2CC[C@H](C)C2)c1 ZINC000793346842 629445522 /nfs/dbraw/zinc/44/55/22/629445522.db2.gz NCGBXPTUGWCLOL-QWHCGFSZSA-N 1 0 263.381 3.317 20 10 CGCDRO COc1cccc(O)c1C[NH2+]CCCc1ccccc1F ZINC000793346802 629445926 /nfs/dbraw/zinc/44/59/26/629445926.db2.gz LFPJJDQGSHJQST-UHFFFAOYSA-N 1 0 289.350 3.262 20 10 CGCDRO COc1ccc(C[NH2+]Cc2cnc(C(C)C)s2)c(O)c1 ZINC000793389022 629452546 /nfs/dbraw/zinc/45/25/46/629452546.db2.gz SRXAXLMGFADIOO-UHFFFAOYSA-N 1 0 292.404 3.271 20 10 CGCDRO Cc1cc([C@H](C)[NH2+]CCCSc2nccs2)n(C)n1 ZINC000793537674 629479066 /nfs/dbraw/zinc/47/90/66/629479066.db2.gz YGFNFKPDVGXJKP-NSHDSACASA-N 1 0 296.465 3.018 20 10 CGCDRO CCCc1nc(C)c(C[N@H+](C)Cc2ccccc2O)o1 ZINC000794411776 629540922 /nfs/dbraw/zinc/54/09/22/629540922.db2.gz NJLYHQPSQIJSKR-UHFFFAOYSA-N 1 0 274.364 3.273 20 10 CGCDRO CC[C@@H]([NH2+]CCC(=O)NC(C)(C)C)c1ccc(C)cc1O ZINC000794810915 629580343 /nfs/dbraw/zinc/58/03/43/629580343.db2.gz NVYAJIYDYLJIGC-CQSZACIVSA-N 1 0 292.423 3.046 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H]1CCC=CO1)c1ccc(C)cc1O ZINC000794817718 629581366 /nfs/dbraw/zinc/58/13/66/629581366.db2.gz VGCLKNFLRLNTJH-DZGCQCFKSA-N 1 0 261.365 3.434 20 10 CGCDRO CC[C@@H]1[NH2+]CC[C@H]1N[C@@H](C)c1ccc2ccccc2c1O ZINC000863541695 629602468 /nfs/dbraw/zinc/60/24/68/629602468.db2.gz AHVNPGBWLQSBGD-AFAVFJNCSA-N 1 0 284.403 3.337 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H](C2CCC2)[C@@H]2CCCO2)c1O ZINC000864052238 629746784 /nfs/dbraw/zinc/74/67/84/629746784.db2.gz FSQHZJOBKHESAK-IRXDYDNUSA-N 1 0 289.419 3.392 20 10 CGCDRO CC(C)[C@@H]1CC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000796700021 629817013 /nfs/dbraw/zinc/81/70/13/629817013.db2.gz CCSOZKPFNPMZLQ-ZWKOTPCHSA-N 1 0 288.435 3.047 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CSC[C@H]2C)c(O)c1C ZINC000797067303 629881185 /nfs/dbraw/zinc/88/11/85/629881185.db2.gz YTESOZCYYBSDQJ-OSMZGAPFSA-N 1 0 265.422 3.411 20 10 CGCDRO CCCN1CCC[C@H]1C[NH2+][C@H](C)c1ccc(C)cc1O ZINC000797116732 629890737 /nfs/dbraw/zinc/89/07/37/629890737.db2.gz YBRUIZOMTAZXHH-CABCVRRESA-N 1 0 276.424 3.226 20 10 CGCDRO CO[C@H]1CCCC[C@@H]1[NH2+][C@H](C)c1cc(C)ccc1O ZINC000799730070 630226989 /nfs/dbraw/zinc/22/69/89/630226989.db2.gz WSEARBDRTWRFAL-INWMFGNUSA-N 1 0 263.381 3.309 20 10 CGCDRO COc1cccc(C[NH2+][C@H](C)c2cnc(C)s2)c1O ZINC000865701652 630397058 /nfs/dbraw/zinc/39/70/58/630397058.db2.gz OGCKMCLRQQVXFQ-SECBINFHSA-N 1 0 278.377 3.017 20 10 CGCDRO Oc1cc2c(cc1C[N@@H+]1C[C@@]3(CCCO3)[C@H]1C1CC1)CCC2 ZINC000840094693 630591082 /nfs/dbraw/zinc/59/10/82/630591082.db2.gz MOXCTPACBLZVAD-MOPGFXCFSA-N 1 0 299.414 3.024 20 10 CGCDRO c1cc(C[NH2+][C@@H](C2CCC2)[C@H]2CCCO2)cc2c1OCC2 ZINC000865735366 630606915 /nfs/dbraw/zinc/60/69/15/630606915.db2.gz LBKGYWBMZSGLJU-MSOLQXFVSA-N 1 0 287.403 3.059 20 10 CGCDRO CCOc1ccc(C[NH2+][C@@H]2c3ccccc3O[C@@H]2C)c(O)c1 ZINC000808445522 630645658 /nfs/dbraw/zinc/64/56/58/630645658.db2.gz WNFKOVYGHVBNPU-XIKOKIGWSA-N 1 0 299.370 3.403 20 10 CGCDRO CCOc1ccc(C[NH2+]C[C@@H]2COc3ccccc32)c(O)c1 ZINC000808451294 630646443 /nfs/dbraw/zinc/64/64/43/630646443.db2.gz LNYXMPVPFCNCHN-CQSZACIVSA-N 1 0 299.370 3.057 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)Cn2ccnc2)c1O ZINC000808675515 630663009 /nfs/dbraw/zinc/66/30/09/630663009.db2.gz JLJWCQBTLDLPCT-NEPJUHHUSA-N 1 0 293.798 3.290 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H]2CCOC2)c1O ZINC000808679956 630663800 /nfs/dbraw/zinc/66/38/00/630663800.db2.gz FYLOPAPKDQSCJP-MNOVXSKESA-N 1 0 269.772 3.041 20 10 CGCDRO CC[C@](C)(O)C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808693164 630665196 /nfs/dbraw/zinc/66/51/96/630665196.db2.gz DOFDTEHFSDWINF-HZMBPMFUSA-N 1 0 271.788 3.166 20 10 CGCDRO CO[C@H](C)C[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808715075 630669782 /nfs/dbraw/zinc/66/97/82/630669782.db2.gz HZIGZKPKSZYVQI-NXEZZACHSA-N 1 0 257.761 3.040 20 10 CGCDRO Cc1cc(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)n(C)n1 ZINC000808718149 630670755 /nfs/dbraw/zinc/67/07/55/630670755.db2.gz PRHQZYYWRXEOOS-LLVKDONJSA-N 1 0 293.798 3.247 20 10 CGCDRO CC(C)C[C@@H](C)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000809607743 630760940 /nfs/dbraw/zinc/76/09/40/630760940.db2.gz AAGASLLHGNTZRI-MRXNPFEDSA-N 1 0 290.451 3.295 20 10 CGCDRO COc1cccc(C[N@@H+]2CCC[C@H]2c2cccnc2)c1O ZINC000809728568 630792633 /nfs/dbraw/zinc/79/26/33/630792633.db2.gz BTJOPYGZJFWRRH-HNNXBMFYSA-N 1 0 284.359 3.133 20 10 CGCDRO CCCC[N@H+](CCCO)Cc1cc(Cl)cc(C)c1O ZINC000809751149 630798694 /nfs/dbraw/zinc/79/86/94/630798694.db2.gz BSGQCVUYJZLNSY-UHFFFAOYSA-N 1 0 285.815 3.339 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2COc3c(C)cccc3C2)cc1C ZINC000810178769 630850882 /nfs/dbraw/zinc/85/08/82/630850882.db2.gz VSNFAXWESGNICC-QGZVFWFLSA-N 1 0 297.398 3.405 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+][C@@H](CO)C2CCCC2)c2c1c(F)ccc2O ZINC000810259901 630861466 /nfs/dbraw/zinc/86/14/66/630861466.db2.gz WPBZQGFYBTXHMZ-SWHYSGLUSA-N 1 0 293.382 3.220 20 10 CGCDRO CCCN(CC)C[C@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000810264215 630862701 /nfs/dbraw/zinc/86/27/01/630862701.db2.gz YRKOTEMBSKPCNS-UONOGXRCSA-N 1 0 264.413 3.163 20 10 CGCDRO COc1ccc(C[NH2+]C[C@H]2CC(C)=C[C@@H](C)C2)c(O)c1 ZINC000811499121 631076489 /nfs/dbraw/zinc/07/64/89/631076489.db2.gz IZJPFBQWMOEYNP-TZMCWYRMSA-N 1 0 275.392 3.483 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CC3(CCC3)[C@H]2C2CC2)c1 ZINC000811513324 631080550 /nfs/dbraw/zinc/08/05/50/631080550.db2.gz GEIHHTUFFKDAOL-MRXNPFEDSA-N 1 0 257.377 3.465 20 10 CGCDRO CN(C)c1ccc(CN(C)Cc2nc(Cl)cs2)cc1 ZINC000876511900 634848610 /nfs/dbraw/zinc/84/86/10/634848610.db2.gz WJDWGAZBUNDXQG-UHFFFAOYSA-N 1 0 295.839 3.495 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CC3(CCC3)[C@H]2C(C)C)c1 ZINC000814170842 631536593 /nfs/dbraw/zinc/53/65/93/631536593.db2.gz FCRBKFDPVGLTSL-MRXNPFEDSA-N 1 0 275.392 3.411 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H](C(C)C)C2(CO)CCC2)cc1C ZINC000814170333 631537338 /nfs/dbraw/zinc/53/73/38/631537338.db2.gz VPZBZGTUOPRCOO-KRWDZBQOSA-N 1 0 291.435 3.286 20 10 CGCDRO CCO[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000815051474 631707479 /nfs/dbraw/zinc/70/74/79/631707479.db2.gz SPMPWKNEQPKREG-MRXNPFEDSA-N 1 0 276.424 3.062 20 10 CGCDRO CC[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000815052373 631708006 /nfs/dbraw/zinc/70/80/06/631708006.db2.gz MLDVEROOKBYEHW-QZTJIDSGSA-N 1 0 290.451 3.186 20 10 CGCDRO Cc1cc(C[N@@H+]2CC[C@H](C(F)F)C2)ccc1N(C)C ZINC000815079800 631712790 /nfs/dbraw/zinc/71/27/90/631712790.db2.gz WOVZKCONHZNPHV-ZDUSSCGKSA-N 1 0 268.351 3.148 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H]2c2cc[nH]n2)cc1 ZINC000815104800 631717814 /nfs/dbraw/zinc/71/78/14/631717814.db2.gz VLDSPDWKFRIYAH-QGZVFWFLSA-N 1 0 284.407 3.203 20 10 CGCDRO CO[C@]1(C)CCC[N@H+](Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000815105562 631717927 /nfs/dbraw/zinc/71/79/27/631717927.db2.gz GYUGJFDIXPJYNX-GOSISDBHSA-N 1 0 290.451 3.452 20 10 CGCDRO CC[C@H]1C[N@H+](Cc2ccc(N(C)C)c(C)c2)CCCO1 ZINC000815108143 631718843 /nfs/dbraw/zinc/71/88/43/631718843.db2.gz RMUVLENYBCPNBU-INIZCTEOSA-N 1 0 276.424 3.062 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)cc1 ZINC000815113558 631720384 /nfs/dbraw/zinc/72/03/84/631720384.db2.gz GXIAKOBHXSLFRL-MSOLQXFVSA-N 1 0 288.435 3.286 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCCCn2ccnc2)c(O)c1 ZINC000815562952 631794957 /nfs/dbraw/zinc/79/49/57/631794957.db2.gz QFNVNZMNOBXPHZ-OAHLLOKOSA-N 1 0 287.407 3.337 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1COc2ccccc2C1 ZINC000815580416 631799554 /nfs/dbraw/zinc/79/95/54/631799554.db2.gz JZMOLOSMRVXYQA-KRWDZBQOSA-N 1 0 296.414 3.154 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2CCC[C@H](O)C2)c(O)c1 ZINC000815583191 631800465 /nfs/dbraw/zinc/80/04/65/631800465.db2.gz YYVYFTWEFGZQTN-KKUMJFAQSA-N 1 0 277.408 3.211 20 10 CGCDRO CO[C@@H]1C[C@@H]([NH2+][C@H](C)c2c(C)cc(C)cc2O)C1(C)C ZINC000815587170 631801484 /nfs/dbraw/zinc/80/14/84/631801484.db2.gz BPLRIHOBFYSFHP-BPLDGKMQSA-N 1 0 277.408 3.473 20 10 CGCDRO COC(C)(C)C[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000815589287 631802523 /nfs/dbraw/zinc/80/25/23/631802523.db2.gz NXZLGRUROUARQI-LBPRGKRZSA-N 1 0 251.370 3.085 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]CC2(CCO)CCC2)c(O)c1 ZINC000815596844 631803582 /nfs/dbraw/zinc/80/35/82/631803582.db2.gz GGFQVUIUMZHUQU-AWEZNQCLSA-N 1 0 277.408 3.212 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]CC[C@H]2CCOC2)c(O)c1 ZINC000815615631 631805716 /nfs/dbraw/zinc/80/57/16/631805716.db2.gz TVPSUOBQPNQGME-KBPBESRZSA-N 1 0 263.381 3.086 20 10 CGCDRO CC[C@H]([NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F)C(C)(C)O ZINC000815652278 631813730 /nfs/dbraw/zinc/81/37/30/631813730.db2.gz WGOIZLNWWCFNTK-GAFUQQFSSA-N 1 0 281.371 3.219 20 10 CGCDRO CC(C)[C@H](CCO)[NH2+]Cc1ccc2ccccc2c1O ZINC000816554126 632009977 /nfs/dbraw/zinc/00/99/77/632009977.db2.gz PJRBIQWOSDFSGP-INIZCTEOSA-N 1 0 273.376 3.042 20 10 CGCDRO C[C@@H](CO)CCC[NH2+]Cc1ccc2ccccc2c1O ZINC000816559812 632013241 /nfs/dbraw/zinc/01/32/41/632013241.db2.gz WBLNPTGSRRCOMC-CYBMUJFWSA-N 1 0 273.376 3.044 20 10 CGCDRO CC(C)[C@H]1C[N@H+](Cc2ccc3ccccc3c2O)CCO1 ZINC000816564770 632013331 /nfs/dbraw/zinc/01/33/31/632013331.db2.gz PJTUHRGEYQFOAY-QGZVFWFLSA-N 1 0 285.387 3.402 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](CO)CC2)cc1 ZINC000816666641 632039989 /nfs/dbraw/zinc/03/99/89/632039989.db2.gz SIJOHNIWMXICJJ-KRWDZBQOSA-N 1 0 290.451 3.127 20 10 CGCDRO CC[C@@H]1C[C@H]([NH2+]Cc2c(O)cccc2Cl)CCO1 ZINC000817414595 632144824 /nfs/dbraw/zinc/14/48/24/632144824.db2.gz HZEZVSZKTCTXLJ-GHMZBOCLSA-N 1 0 269.772 3.093 20 10 CGCDRO CC[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc(F)ccc2O)CCO1 ZINC000817584942 632190885 /nfs/dbraw/zinc/19/08/85/632190885.db2.gz BFQAJKYYEKOLGI-CYZMBNFOSA-N 1 0 267.344 3.140 20 10 CGCDRO Cc1cc(C[NH2+][C@@H](C)c2ccccc2O)cc(C)n1 ZINC000817589853 632192799 /nfs/dbraw/zinc/19/27/99/632192799.db2.gz QKDILTZGZYSUAW-ZDUSSCGKSA-N 1 0 256.349 3.255 20 10 CGCDRO CN(C)c1ccc([C@H](N)C[NH2+][C@H]2CC[C@@H]2C(C)(C)C)cc1 ZINC000817941387 632240300 /nfs/dbraw/zinc/24/03/00/632240300.db2.gz JQARIVNWFGMCEI-BBWFWOEESA-N 1 0 289.467 3.167 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]C1)c1cccc(Cl)c1[O-] ZINC000817946613 632243554 /nfs/dbraw/zinc/24/35/54/632243554.db2.gz BBJCXAGCCRCKCB-XUJVJEKNSA-N 1 0 296.842 3.474 20 10 CGCDRO C[C@H]1Cc2ccccc2[C@H]1[NH2+]CCc1ccc(N)cc1 ZINC000817955854 632251063 /nfs/dbraw/zinc/25/10/63/632251063.db2.gz JHDKVHAMEUVZKU-UGSOOPFHSA-N 1 0 266.388 3.334 20 10 CGCDRO Nc1ccc(CC[NH2+][C@@H]2CCc3cc(F)ccc32)cc1 ZINC000817955952 632251279 /nfs/dbraw/zinc/25/12/79/632251279.db2.gz LZDVXKTYTJLASI-QGZVFWFLSA-N 1 0 270.351 3.228 20 10 CGCDRO Nc1ccc(CC[NH2+]C(C2CCC2)C2CCC2)cc1 ZINC000817958544 632253201 /nfs/dbraw/zinc/25/32/01/632253201.db2.gz XBIRSSIIBSGJGC-UHFFFAOYSA-N 1 0 258.409 3.370 20 10 CGCDRO CC(C)CO[C@@H]1C[C@@H]([NH2+]CCc2ccc(N)cc2)C1(C)C ZINC000817957906 632253318 /nfs/dbraw/zinc/25/33/18/632253318.db2.gz QOCQZKPVNJQFNO-IAGOWNOFSA-N 1 0 290.451 3.241 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])c1ccc(F)cc1[O-] ZINC000817961395 632257350 /nfs/dbraw/zinc/25/73/50/632257350.db2.gz XZATWMAVJQJPKM-CQDKDKBSSA-N 1 0 280.387 3.090 20 10 CGCDRO CC[C@H]([NH2+]CC1=CC[NH2+]CC1)c1cccc(Cl)c1[O-] ZINC000817967886 632261952 /nfs/dbraw/zinc/26/19/52/632261952.db2.gz NDIVZOJXUUZVOA-AWEZNQCLSA-N 1 0 280.799 3.006 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1cccc(Cl)c1[O-] ZINC000817970215 632262961 /nfs/dbraw/zinc/26/29/61/632262961.db2.gz OQZANPSQUQPFQM-BPNCWPANSA-N 1 0 282.815 3.084 20 10 CGCDRO CC[C@H]([NH2+]C[C@H](C)[NH3+])c1cc(Cl)cc(Cl)c1[O-] ZINC000817971980 632266426 /nfs/dbraw/zinc/26/64/26/632266426.db2.gz IORKTPNSVUEKCU-CPCISQLKSA-N 1 0 277.195 3.087 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2NCCc3ccccc32)c1 ZINC000817973389 632266535 /nfs/dbraw/zinc/26/65/35/632266535.db2.gz FCARSERIPFFPQG-KBXCAEBGSA-N 1 0 296.414 3.238 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]Cc2cc(C)cc(N)c2)c(O)c1 ZINC000817979344 632270183 /nfs/dbraw/zinc/27/01/83/632270183.db2.gz AHLFHBDSVIFWJD-ZDUSSCGKSA-N 1 0 270.376 3.442 20 10 CGCDRO CCOc1ccc(C[NH2+]C[C@@H]2C[C@H]2C2CCC2)c(O)c1 ZINC000818222912 632299255 /nfs/dbraw/zinc/29/92/55/632299255.db2.gz LEJQIPNQAXUKLI-HOCLYGCPSA-N 1 0 275.392 3.317 20 10 CGCDRO CO[C@H]1C[C@H]2C[C@H]([NH2+]Cc3ccc(N(C)C)cc3)C[C@H]2C1 ZINC000818328818 632307672 /nfs/dbraw/zinc/30/76/72/632307672.db2.gz WPDTVSCFTSQGQU-LYEGSJOYSA-N 1 0 288.435 3.046 20 10 CGCDRO CN(C)c1ccc(OCCCCCCC[NH3+])cc1 ZINC000818619465 632342633 /nfs/dbraw/zinc/34/26/33/632342633.db2.gz DLURXMLTTMKECM-UHFFFAOYSA-N 1 0 250.386 3.041 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+][C@@H]1C[C@@]1(F)c1ccccc1 ZINC000822497949 632948414 /nfs/dbraw/zinc/94/84/14/632948414.db2.gz PFPBRGVJQXUIJF-HZPDHXFCSA-N 1 0 275.298 3.258 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH+]2CC(CC(F)F)C2)cc1 ZINC000822520620 632958466 /nfs/dbraw/zinc/95/84/66/632958466.db2.gz JENFBIVIGACZDW-ONEGZZNKSA-N 1 0 280.362 3.353 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2C[C@@H](C)OCC23CCC3)cc1 ZINC000844420992 635896619 /nfs/dbraw/zinc/89/66/19/635896619.db2.gz FLYALFOPUDKVCP-OAHLLOKOSA-N 1 0 288.435 3.286 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]CC[C@H]2CCSC2)c1O ZINC000866405158 633125269 /nfs/dbraw/zinc/12/52/69/633125269.db2.gz YDSXJRYOOCBDFF-NEPJUHHUSA-N 1 0 281.421 3.195 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H](C)O[C@@H]2C)c(O)c1C ZINC000866444220 633134955 /nfs/dbraw/zinc/13/49/55/633134955.db2.gz ZYYARDLZLIUEIN-MUYACECFSA-N 1 0 263.381 3.226 20 10 CGCDRO CC[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)CCO1 ZINC000823752578 633148946 /nfs/dbraw/zinc/14/89/46/633148946.db2.gz IJXRMFZNQGJEQU-CABCVRRESA-N 1 0 263.381 3.051 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1CCC12CCOCC2)c1cc(F)ccc1O ZINC000866529866 633174261 /nfs/dbraw/zinc/17/42/61/633174261.db2.gz SYTHTLCSUHMSON-CHWSQXEVSA-N 1 0 293.382 3.389 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1C[C@H]1C1CCOCC1)c1ccccc1O ZINC000866537834 633181338 /nfs/dbraw/zinc/18/13/38/633181338.db2.gz JVWKPCPIAKRJSM-NOLJZWGESA-N 1 0 275.392 3.106 20 10 CGCDRO C[C@H]([NH2+]CC[C@H](O)C1CCCC1)c1cc(F)ccc1O ZINC000866639277 633227295 /nfs/dbraw/zinc/22/72/95/633227295.db2.gz XLRORJOUAZLLNY-NHYWBVRUSA-N 1 0 281.371 3.123 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CCC[C@](C)(F)C2)c(O)c1 ZINC000824472885 633248807 /nfs/dbraw/zinc/24/88/07/633248807.db2.gz ZZIVSNVRYXBPQN-HNNXBMFYSA-N 1 0 267.344 3.115 20 10 CGCDRO Cc1ccccc1CC[N@@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000824554222 633258952 /nfs/dbraw/zinc/25/89/52/633258952.db2.gz CNKRAPQLMZLURL-UHFFFAOYSA-N 1 0 299.370 3.104 20 10 CGCDRO CC[N@@H+](Cc1cc(Cl)c(C)cc1O)C[C@@H]1CCCO1 ZINC000824609991 633264543 /nfs/dbraw/zinc/26/45/43/633264543.db2.gz FTPPWESAEWVZPX-ZDUSSCGKSA-N 1 0 283.799 3.355 20 10 CGCDRO COc1cccc(O)c1C[NH2+][C@@H]1C[C@@H](C)Oc2ccccc21 ZINC000824649630 633267867 /nfs/dbraw/zinc/26/78/67/633267867.db2.gz DQNLIGBDCWFMQF-IUODEOHRSA-N 1 0 299.370 3.403 20 10 CGCDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@H]2C2CC2)c1O ZINC000824650370 633268807 /nfs/dbraw/zinc/26/88/07/633268807.db2.gz MPZCDRGHYDSQFC-ZDUSSCGKSA-N 1 0 296.208 3.447 20 10 CGCDRO CS[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000824683486 633272219 /nfs/dbraw/zinc/27/22/19/633272219.db2.gz LNRYXJFEKVSSKG-CQSZACIVSA-N 1 0 273.401 3.483 20 10 CGCDRO Oc1ccc(F)cc1C[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000824697110 633274438 /nfs/dbraw/zinc/27/44/38/633274438.db2.gz YXZIPUBZYPUESX-INMHGKMJSA-N 1 0 293.382 3.047 20 10 CGCDRO CCC[C@@H](C)[N@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876582533 634862729 /nfs/dbraw/zinc/86/27/29/634862729.db2.gz RELVKMJZWGMZII-OAHLLOKOSA-N 1 0 290.451 3.268 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2C[C@@H](C)n3ccnc32)cc1C ZINC000825017396 633318571 /nfs/dbraw/zinc/31/85/71/633318571.db2.gz QDKFIGUZGROIOY-TZMCWYRMSA-N 1 0 271.364 3.001 20 10 CGCDRO CO[C@@H](C[NH2+]Cc1cc(Cl)c(C)cc1O)C(F)(F)F ZINC000825253953 633339918 /nfs/dbraw/zinc/33/99/18/633339918.db2.gz KQDVQEQGPOFADV-NSHDSACASA-N 1 0 297.704 3.021 20 10 CGCDRO COC[C@H]([NH2+]Cc1cc(Cl)c(C)cc1O)C(C)C ZINC000825286311 633342776 /nfs/dbraw/zinc/34/27/76/633342776.db2.gz DQRVISWZXHFJDW-ZDUSSCGKSA-N 1 0 271.788 3.115 20 10 CGCDRO CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000825299358 633343169 /nfs/dbraw/zinc/34/31/69/633343169.db2.gz IUZWCQNOIHCXJP-NVXWUHKLSA-N 1 0 275.392 3.059 20 10 CGCDRO COC[C@H]1CCC[N@H+](Cc2cc(C)c(C)cc2O)CC1 ZINC000825321936 633345759 /nfs/dbraw/zinc/34/57/59/633345759.db2.gz RTTSWIPYVDXDCM-HNNXBMFYSA-N 1 0 277.408 3.258 20 10 CGCDRO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825501489 633358797 /nfs/dbraw/zinc/35/87/97/633358797.db2.gz QBKYUAZNNPRZKH-QWRGUYRKSA-N 1 0 299.798 3.031 20 10 CGCDRO CCOC(C)(C)C[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825628789 633368280 /nfs/dbraw/zinc/36/82/80/633368280.db2.gz IUBDEBSXSHHILP-UHFFFAOYSA-N 1 0 271.788 3.259 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCSC2)cc1Cl ZINC000825731621 633378294 /nfs/dbraw/zinc/37/82/94/633378294.db2.gz JNTXUUGRNYZDMN-JTQLQIEISA-N 1 0 271.813 3.197 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CSC[C@@H]2C)cc1Cl ZINC000825886472 633386299 /nfs/dbraw/zinc/38/62/99/633386299.db2.gz PKGFXNZVUFJBFS-JOYOIKCWSA-N 1 0 271.813 3.195 20 10 CGCDRO COc1ccc(N2CC[C@@H]([NH2+]C3CC4(CCC4)C3)C2)cc1 ZINC000826844899 633436872 /nfs/dbraw/zinc/43/68/72/633436872.db2.gz BLVHUWWXIDECEV-CQSZACIVSA-N 1 0 286.419 3.196 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H]2Cc3ccccc3[C@@H]2C)c1 ZINC000827030268 633450087 /nfs/dbraw/zinc/45/00/87/633450087.db2.gz JWDGNBWSUJTEAQ-YVEFUNNKSA-N 1 0 283.371 3.219 20 10 CGCDRO C[N@@H+](Cc1ccc2ccccc2c1O)CC1=CCCOC1 ZINC000827189778 633469549 /nfs/dbraw/zinc/46/95/49/633469549.db2.gz NYMZYVDBLKZOIY-UHFFFAOYSA-N 1 0 283.371 3.324 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H]1CCC[C@@H](C)O1 ZINC000827251787 633475340 /nfs/dbraw/zinc/47/53/40/633475340.db2.gz NNEVJTCREZEQHE-RHSMWYFYSA-N 1 0 276.424 3.108 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000827377136 633486475 /nfs/dbraw/zinc/48/64/75/633486475.db2.gz QIIRNKIGZBRFTL-WBVHZDCISA-N 1 0 275.392 3.173 20 10 CGCDRO Cc1cc(C[N@@H+](CCO)C(C)C)ccc1N1CCCCC1 ZINC000827477056 633493106 /nfs/dbraw/zinc/49/31/06/633493106.db2.gz BAGUCLDNDVUXLQ-UHFFFAOYSA-N 1 0 290.451 3.188 20 10 CGCDRO CCn1cc([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2C)cn1 ZINC000122745694 633502821 /nfs/dbraw/zinc/50/28/21/633502821.db2.gz FWTIUYIQKOILTK-CQSZACIVSA-N 1 0 286.423 3.128 20 10 CGCDRO CCc1cccc(C[N@@H+]2Cc3c[nH]nc3CC(C)(C)C2)c1O ZINC000828013822 633548093 /nfs/dbraw/zinc/54/80/93/633548093.db2.gz LJQIXKWFNTWKAR-UHFFFAOYSA-N 1 0 299.418 3.262 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)CC2(OC)CCC2)c1 ZINC000845973105 636126190 /nfs/dbraw/zinc/12/61/90/636126190.db2.gz XKGSFGKIRQCNQI-OLZOCXBDSA-N 1 0 293.407 3.399 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+][C@@H](C1CC1)C1CCOCC1)CC2 ZINC000846185926 636155823 /nfs/dbraw/zinc/15/58/23/636155823.db2.gz BHFRQPRWAJUQQP-YJBOKZPZSA-N 1 0 287.403 3.174 20 10 CGCDRO CCN(C)c1ccc(CN(C)[C@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000832779088 634094432 /nfs/dbraw/zinc/09/44/32/634094432.db2.gz UIHVHUQDPXQDRN-SFHVURJKSA-N 1 0 289.467 3.057 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@@H]3CSC[C@H]3C2)c1 ZINC000872723349 634196052 /nfs/dbraw/zinc/19/60/52/634196052.db2.gz XQNIPBNWRKJQGE-UKRRQHHQSA-N 1 0 277.433 3.194 20 10 CGCDRO COC1CCC(C[NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000834615355 634197827 /nfs/dbraw/zinc/19/78/27/634197827.db2.gz CZBQXUVZEFGGSA-ZALBZXLWSA-N 1 0 275.392 3.174 20 10 CGCDRO C[C@@H](C[NH2+][C@H]1CCc2cccc(O)c21)c1ccncc1 ZINC000834617126 634197918 /nfs/dbraw/zinc/19/79/18/634197918.db2.gz VJHLWELNLWDZKV-WFASDCNBSA-N 1 0 268.360 3.168 20 10 CGCDRO CCCOc1ccc(C[NH2+]CCn2ccnc2C)cc1C ZINC000873030201 634234549 /nfs/dbraw/zinc/23/45/49/634234549.db2.gz CAKYTPHJVMVMNY-UHFFFAOYSA-N 1 0 287.407 3.079 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@H](CCO)C2CC2)cc1C ZINC000873058925 634238300 /nfs/dbraw/zinc/23/83/00/634238300.db2.gz LRKFMTLNEMGZCC-MRXNPFEDSA-N 1 0 277.408 3.034 20 10 CGCDRO C[C@]1(C[NH2+][C@H]2CCc3cccc(O)c32)CCO[C@H]1C1CC1 ZINC000834769163 634238929 /nfs/dbraw/zinc/23/89/29/634238929.db2.gz ITJSHZDNAADFRJ-JCGIZDLHSA-N 1 0 287.403 3.174 20 10 CGCDRO C[C@H]([NH2+][C@H]1C[C@H](C)n2ccnc21)c1ccc(N(C)C)cc1 ZINC000834769409 634239185 /nfs/dbraw/zinc/23/91/85/634239185.db2.gz MSYSNWLLABRYEX-XEZPLFJOSA-N 1 0 284.407 3.306 20 10 CGCDRO CCCOc1ccc(C[NH2+]CC(C)(C)CCO)cc1C ZINC000873066306 634241002 /nfs/dbraw/zinc/24/10/02/634241002.db2.gz RRIGEYVBJZRDJR-UHFFFAOYSA-N 1 0 279.424 3.282 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@@H](C)CCCO)cc1C ZINC000873074983 634242031 /nfs/dbraw/zinc/24/20/31/634242031.db2.gz NYGKGKXHSUOEEC-AWEZNQCLSA-N 1 0 265.397 3.034 20 10 CGCDRO CC[C@@H]([NH2+][C@H]1CCn2ccnc21)c1cc(Cl)ccc1O ZINC000834833420 634251463 /nfs/dbraw/zinc/25/14/63/634251463.db2.gz ZPUSWOHBCZGRGD-OLZOCXBDSA-N 1 0 291.782 3.428 20 10 CGCDRO C[C@H]1C[C@@H]([NH2+]CC2=CCOCC2)c2c1c(F)ccc2O ZINC000834859655 634258175 /nfs/dbraw/zinc/25/81/75/634258175.db2.gz HGOYRKYOSQYBMC-GXFFZTMASA-N 1 0 277.339 3.016 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]CC2=CCOCC2)c(O)c1 ZINC000834859368 634258185 /nfs/dbraw/zinc/25/81/85/634258185.db2.gz ADQIEWYHQBNBMZ-ZDUSSCGKSA-N 1 0 261.365 3.006 20 10 CGCDRO CC[C@H]([NH2+]C[C@H](C)CCCO)c1cc(Cl)ccc1O ZINC000834870820 634260137 /nfs/dbraw/zinc/26/01/37/634260137.db2.gz KPLNBQTZYLJHRZ-RISCZKNCSA-N 1 0 285.815 3.495 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](C)CCCO)c1O ZINC000834870915 634260992 /nfs/dbraw/zinc/26/09/92/634260992.db2.gz LNXPWHMWAUWARC-PWSUYJOCSA-N 1 0 285.815 3.413 20 10 CGCDRO COc1ccc(C[NH2+]C[C@@H]2C[C@H]3CCC[C@@H]3O2)cc1C ZINC000873154811 634262252 /nfs/dbraw/zinc/26/22/52/634262252.db2.gz BFICSMNNNGVPAG-VYDXJSESSA-N 1 0 275.392 3.051 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)Cc2cnn(C)c2)c(O)c1C ZINC000834895938 634273456 /nfs/dbraw/zinc/27/34/56/634273456.db2.gz FLSCCHDWDZCIGL-TZMCWYRMSA-N 1 0 287.407 3.024 20 10 CGCDRO CC[C@@H]([NH2+]CCC1(CO)CC1)c1cc(Cl)ccc1O ZINC000834897901 634274320 /nfs/dbraw/zinc/27/43/20/634274320.db2.gz WZXSSZJTVZHRPU-CYBMUJFWSA-N 1 0 283.799 3.249 20 10 CGCDRO CCc1ncc(C[NH2+][C@H](C)c2ccc(C)cc2O)o1 ZINC000834900984 634277886 /nfs/dbraw/zinc/27/78/86/634277886.db2.gz VKQYMPGUUZBIRG-LLVKDONJSA-N 1 0 260.337 3.102 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1COCC1(C)C)c1ccc(N(C)C)cc1 ZINC000834903534 634280475 /nfs/dbraw/zinc/28/04/75/634280475.db2.gz JUGDPDWGHZPGPO-HZPDHXFCSA-N 1 0 276.424 3.218 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCC[C@@H]2CCOC2)c(O)c1 ZINC000834904177 634280946 /nfs/dbraw/zinc/28/09/46/634280946.db2.gz NNAFQESYDYQMBR-LSDHHAIUSA-N 1 0 277.408 3.476 20 10 CGCDRO CC[C@H]([NH2+]Cc1ncccc1OC)c1ccc(C)cc1O ZINC000834905007 634281062 /nfs/dbraw/zinc/28/10/62/634281062.db2.gz DSPUCACGVIEWMB-AWEZNQCLSA-N 1 0 286.375 3.345 20 10 CGCDRO CC[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(F)cc1[O-] ZINC000873260867 634308077 /nfs/dbraw/zinc/30/80/77/634308077.db2.gz JCXDOVRLNJIXKE-AEIGPULVSA-N 1 0 292.398 3.103 20 10 CGCDRO CN(C)c1ccc(/C=C/C[N@H+](C)Cc2cccn2C)cc1 ZINC000835026011 634324081 /nfs/dbraw/zinc/32/40/81/634324081.db2.gz NRFXPHVMAAOXEZ-FNORWQNLSA-N 1 0 283.419 3.236 20 10 CGCDRO CC[C@H](C)N(C)CC[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835035405 634326774 /nfs/dbraw/zinc/32/67/74/634326774.db2.gz CPEJJZNJUWQKFQ-WAVCKPEOSA-N 1 0 289.467 3.086 20 10 CGCDRO CC[C@@H](C)N(C)CC[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835035402 634327126 /nfs/dbraw/zinc/32/71/26/634327126.db2.gz CPEJJZNJUWQKFQ-KXPUMZMLSA-N 1 0 289.467 3.086 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H]2CCOC(C)(C)C2)cc1 ZINC000835041223 634329167 /nfs/dbraw/zinc/32/91/67/634329167.db2.gz JVPNIQFZOZMMPG-SQRWCISFSA-N 1 0 288.435 3.313 20 10 CGCDRO CCC(CC)[C@H](O)C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835041530 634329687 /nfs/dbraw/zinc/32/96/87/634329687.db2.gz YDHXWCUQXXXMGB-JTHGQSKGSA-N 1 0 290.451 3.153 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+]C(C)(C)c2cnn(C)c2)cc1 ZINC000835039446 634329742 /nfs/dbraw/zinc/32/97/42/634329742.db2.gz HFCSCWIKSLIMHW-SREVYHEPSA-N 1 0 298.434 3.024 20 10 CGCDRO CO[C@@H](C[NH2+]C/C=C\c1ccc(N(C)C)cc1)C(C)(C)C ZINC000835042060 634330445 /nfs/dbraw/zinc/33/04/45/634330445.db2.gz GOGMYNDWHXBKLS-QWPQOLDESA-N 1 0 290.451 3.417 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@H]2CCC(C)(C)O2)cc1 ZINC000835045904 634332338 /nfs/dbraw/zinc/33/23/38/634332338.db2.gz LMCZMWVETYWWQW-FUTAKVPZSA-N 1 0 288.435 3.313 20 10 CGCDRO COC[C@@]1(C)CC[N@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835053958 634338140 /nfs/dbraw/zinc/33/81/40/634338140.db2.gz GFJKGJXWXULCMR-QWNKOJSDSA-N 1 0 288.435 3.124 20 10 CGCDRO CC(C)C[C@@H](CO)[N@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835054504 634338396 /nfs/dbraw/zinc/33/83/96/634338396.db2.gz WEXKXUHQFJFKIG-DKFQHHCZSA-N 1 0 290.451 3.105 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]C/C=C/c2ccc(N(C)C)cc2)c2nccn21 ZINC000835055086 634339224 /nfs/dbraw/zinc/33/92/24/634339224.db2.gz QNJXJVOJFCMIQG-ROHVMALMSA-N 1 0 296.418 3.258 20 10 CGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@@](C)(O)CC2)cc1 ZINC000835055034 634339240 /nfs/dbraw/zinc/33/92/40/634339240.db2.gz VDQJXPCYMMNGHU-MJICGBHWSA-N 1 0 288.435 3.003 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCOC(C)(C)C2)cc1C ZINC000835060239 634341562 /nfs/dbraw/zinc/34/15/62/634341562.db2.gz PPEMKBJIEXYCOP-AWEZNQCLSA-N 1 0 277.408 3.304 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]CCC2CC(F)(F)C2)c1 ZINC000835062258 634342955 /nfs/dbraw/zinc/34/29/55/634342955.db2.gz ZKXMOIRBWJOAJH-UHFFFAOYSA-N 1 0 255.308 3.226 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](C2CC2)C2CCC2)c1 ZINC000835070540 634344403 /nfs/dbraw/zinc/34/44/03/634344403.db2.gz OUDVFDUTWWQQHX-QGZVFWFLSA-N 1 0 275.392 3.459 20 10 CGCDRO COC[C@@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000019904579 634368230 /nfs/dbraw/zinc/36/82/30/634368230.db2.gz SSHREZKKSXEWIS-NEPJUHHUSA-N 1 0 259.349 3.231 20 10 CGCDRO CC[N@H+](CCC(F)(F)F)Cc1ccc(C)cc1O ZINC000876658067 634876629 /nfs/dbraw/zinc/87/66/29/634876629.db2.gz XXACNWFCFGCEKM-UHFFFAOYSA-N 1 0 261.287 3.475 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+](C)[C@@H](CCO)c1ccccc1 ZINC000876739983 634889678 /nfs/dbraw/zinc/88/96/78/634889678.db2.gz LHGRHSIBOSDJDA-KRWDZBQOSA-N 1 0 285.387 3.256 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2ccc(C)c(F)c2)c(O)c1 ZINC000876904724 634926033 /nfs/dbraw/zinc/92/60/33/634926033.db2.gz IWWIVIKUEBFAQB-UHFFFAOYSA-N 1 0 259.324 3.438 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]CCOc1ccc(F)cc1 ZINC000876913535 634926844 /nfs/dbraw/zinc/92/68/44/634926844.db2.gz HSPJYRSERKKSGA-UHFFFAOYSA-N 1 0 275.323 3.008 20 10 CGCDRO COc1ccc(C[NH2+]Cc2ccc(C)cc2O)c(OC)c1 ZINC000876948650 634934339 /nfs/dbraw/zinc/93/43/39/634934339.db2.gz JMUYUIMBTFUENL-UHFFFAOYSA-N 1 0 287.359 3.008 20 10 CGCDRO CN1CCCc2cc(C[NH2+]Cc3cccc(F)c3N)ccc21 ZINC000876986902 634944070 /nfs/dbraw/zinc/94/40/70/634944070.db2.gz NXXGHLBKCGYWCC-UHFFFAOYSA-N 1 0 299.393 3.080 20 10 CGCDRO COc1ccc(O)c(C[NH2+]CCC(C)(C)SC)c1 ZINC000877035983 634958248 /nfs/dbraw/zinc/95/82/48/634958248.db2.gz LAALBJVCFKEIFZ-UHFFFAOYSA-N 1 0 269.410 3.022 20 10 CGCDRO Cc1ccc(C[NH2+]C[C@H](O)c2ccccc2Cl)c(O)c1 ZINC000877056586 634965586 /nfs/dbraw/zinc/96/55/86/634965586.db2.gz YLGRJPLYHQCPDQ-INIZCTEOSA-N 1 0 291.778 3.177 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H](C)[C@H](O)c2cccc(F)c2)c(O)c1 ZINC000877082749 634977994 /nfs/dbraw/zinc/97/79/94/634977994.db2.gz BUIZCBCNZWVCLM-SJCJKPOMSA-N 1 0 289.350 3.051 20 10 CGCDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCc2cc(O)ccc2C1 ZINC000877480205 635053322 /nfs/dbraw/zinc/05/33/22/635053322.db2.gz NJDIXCLILJUANE-OAHLLOKOSA-N 1 0 283.371 3.053 20 10 CGCDRO CC[C@H]([NH2+]C[C@H](C)CCOC)c1ccccc1O ZINC000840835788 635060595 /nfs/dbraw/zinc/06/05/95/635060595.db2.gz QNQNRQCUQFNSGY-OCCSQVGLSA-N 1 0 251.370 3.106 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F)[C@@H](O)C(C)C ZINC000840880888 635072098 /nfs/dbraw/zinc/07/20/98/635072098.db2.gz FOBQMNQERSGFSV-DAWNXDAASA-N 1 0 295.398 3.465 20 10 CGCDRO CC[C@H]([NH2+][C@@H](CC)[C@@H](O)C(C)C)c1ccccc1O ZINC000840882549 635073392 /nfs/dbraw/zinc/07/33/92/635073392.db2.gz PGAWLRFAHKCUCM-DZKIICNBSA-N 1 0 265.397 3.228 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H]2c3ccccc3O[C@H]2C)c(O)c1 ZINC000877536282 635077443 /nfs/dbraw/zinc/07/74/43/635077443.db2.gz MYGXRPVWBMMEGP-SJCJKPOMSA-N 1 0 269.344 3.312 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCO[C@@H](C)C2)c(Cl)c1 ZINC000840908877 635079889 /nfs/dbraw/zinc/07/98/89/635079889.db2.gz YPMPVXQWZHSTLX-QWRGUYRKSA-N 1 0 269.772 3.011 20 10 CGCDRO CC[N@@H+](Cc1c(O)cc(C)cc1Cl)C[C@@H]1CCCO1 ZINC000840911585 635081837 /nfs/dbraw/zinc/08/18/37/635081837.db2.gz IOJABFITARABIY-LBPRGKRZSA-N 1 0 283.799 3.355 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)c(Cl)c1 ZINC000840919353 635082473 /nfs/dbraw/zinc/08/24/73/635082473.db2.gz CSBIPMAQIZSZBI-DOMZBBRYSA-N 1 0 295.810 3.355 20 10 CGCDRO CO[C@@]1(C)CCC[N@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000840940779 635086682 /nfs/dbraw/zinc/08/66/82/635086682.db2.gz FKCLWTVXDFQXLO-HNNXBMFYSA-N 1 0 283.799 3.355 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000840940367 635087386 /nfs/dbraw/zinc/08/73/86/635087386.db2.gz ZISXSZVCQGPBNT-INIZCTEOSA-N 1 0 284.407 3.121 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CSC1(C)C ZINC000840943489 635088091 /nfs/dbraw/zinc/08/80/91/635088091.db2.gz RHSRMCFBZNFEHL-AWEZNQCLSA-N 1 0 264.438 3.045 20 10 CGCDRO CO[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2C)[C@@H](C)C1 ZINC000840942448 635088100 /nfs/dbraw/zinc/08/81/00/635088100.db2.gz ODDVUBOSLLOQLD-WMLDXEAASA-N 1 0 276.424 3.060 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)c(Cl)c1 ZINC000840943312 635088320 /nfs/dbraw/zinc/08/83/20/635088320.db2.gz LHDZKXHGKQNEAM-GDBMZVCRSA-N 1 0 295.810 3.497 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)[C@H](O)c1ccccc1 ZINC000840946723 635089020 /nfs/dbraw/zinc/08/90/20/635089020.db2.gz NHPRJZRAEHPCRI-KXBFYZLASA-N 1 0 298.430 3.273 20 10 CGCDRO CCC[C@H](C[NH2+]Cc1c(O)cc(C)cc1Cl)OC ZINC000840949840 635090235 /nfs/dbraw/zinc/09/02/35/635090235.db2.gz BAMATRWVUMQFME-LLVKDONJSA-N 1 0 271.788 3.259 20 10 CGCDRO Cc1cccnc1CC[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840950684 635091477 /nfs/dbraw/zinc/09/14/77/635091477.db2.gz MCKBTCNGYAKSLO-UHFFFAOYSA-N 1 0 283.419 3.097 20 10 CGCDRO CO[C@@H]1CC[N@H+](Cc2c(O)cc(C)cc2Cl)C[C@H]1C ZINC000840949938 635091482 /nfs/dbraw/zinc/09/14/82/635091482.db2.gz DGWOXCISJHQZDJ-IAQYHMDHSA-N 1 0 283.799 3.211 20 10 CGCDRO CCO[C@H]1C[C@@H]([NH2+]Cc2c(O)cc(C)cc2Cl)C1 ZINC000840953328 635092233 /nfs/dbraw/zinc/09/22/33/635092233.db2.gz QATJPJTVSCPJSD-PHIMTYICSA-N 1 0 269.772 3.011 20 10 CGCDRO COCC[C@H](C)C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000840955895 635093287 /nfs/dbraw/zinc/09/32/87/635093287.db2.gz ZWKLGRIIXJERQN-YVACAVLKSA-N 1 0 276.424 3.028 20 10 CGCDRO C[C@H]1C[N@H+](Cc2ccccc2O)CCN1Cc1ccccc1 ZINC000840963795 635095309 /nfs/dbraw/zinc/09/53/09/635095309.db2.gz VTKAMZOJANSTQY-INIZCTEOSA-N 1 0 296.414 3.099 20 10 CGCDRO C[C@H]1CC(C)(C)C[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000840969180 635096192 /nfs/dbraw/zinc/09/61/92/635096192.db2.gz CCQGLEBZDMHHFF-HNNXBMFYSA-N 1 0 288.435 3.144 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]CCC[C@@H]1CCO1 ZINC000877592536 635104958 /nfs/dbraw/zinc/10/49/58/635104958.db2.gz QCEFXXDPDUOUMG-MAUKXSAKSA-N 1 0 290.451 3.151 20 10 CGCDRO Cc1ccc(O)c(CNCC[NH2+]C2CCCCCC2)c1 ZINC000841027987 635108253 /nfs/dbraw/zinc/10/82/53/635108253.db2.gz IPYRATJATUJGTP-UHFFFAOYSA-N 1 0 276.424 3.103 20 10 CGCDRO Cc1cccc(CNc2ccc([C@H](C)[NH3+])cc2)c1O ZINC000841028072 635108268 /nfs/dbraw/zinc/10/82/68/635108268.db2.gz KSMIEILWDAYIKR-LBPRGKRZSA-N 1 0 256.349 3.332 20 10 CGCDRO CCCOc1ccc(C[NH2+]CCc2ccc(N)cc2)cc1 ZINC000841037904 635111158 /nfs/dbraw/zinc/11/11/58/635111158.db2.gz ZYHFRJREXKQEDU-UHFFFAOYSA-N 1 0 284.403 3.390 20 10 CGCDRO Nc1ccc(CC[NH2+]Cc2ncccc2C(F)(F)F)cc1 ZINC000841035413 635111396 /nfs/dbraw/zinc/11/13/96/635111396.db2.gz NLBHUEUDQKSGFK-UHFFFAOYSA-N 1 0 295.308 3.015 20 10 CGCDRO COc1cccc(O)c1C[NH2+][C@@H]1CCCc2cc(N)ccc21 ZINC000841058297 635116463 /nfs/dbraw/zinc/11/64/63/635116463.db2.gz PGLBLPOUILKKSM-MRXNPFEDSA-N 1 0 298.386 3.150 20 10 CGCDRO CCOc1cccc(CNc2ccc(C[NH2+]C)cc2)c1O ZINC000841070372 635117813 /nfs/dbraw/zinc/11/78/13/635117813.db2.gz AYMATVUNFSIXOU-UHFFFAOYSA-N 1 0 286.375 3.122 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCCCO3)C2)c(O)c1 ZINC000877633830 635124054 /nfs/dbraw/zinc/12/40/54/635124054.db2.gz RZBXVJUYQNJGAH-FUHWJXTLSA-N 1 0 289.419 3.482 20 10 CGCDRO COCC1(C2CC2)C[NH+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000877686753 635146411 /nfs/dbraw/zinc/14/64/11/635146411.db2.gz WFUQCOGOZYNFAZ-UHFFFAOYSA-N 1 0 295.810 3.212 20 10 CGCDRO CCOc1ccc(O)c(C[NH+]2CCC(C)(F)CC2)c1 ZINC000877700054 635151771 /nfs/dbraw/zinc/15/17/71/635151771.db2.gz ATISYRDQBWDZGZ-UHFFFAOYSA-N 1 0 267.344 3.115 20 10 CGCDRO COc1ccc(C)cc1C[N@@H+]1Cc2cccc(O)c2C1 ZINC000877704184 635155409 /nfs/dbraw/zinc/15/54/09/635155409.db2.gz ZMYBGFSDQXLMON-UHFFFAOYSA-N 1 0 269.344 3.225 20 10 CGCDRO COC(=O)c1csc(C[NH2+][C@H](C)c2ccccc2O)c1 ZINC000877755888 635184311 /nfs/dbraw/zinc/18/43/11/635184311.db2.gz QZPZSUACUVUAMP-SNVBAGLBSA-N 1 0 291.372 3.091 20 10 CGCDRO COC(=O)CC1CCC([NH2+][C@@H](C)c2ccccc2O)CC1 ZINC000877758205 635186846 /nfs/dbraw/zinc/18/68/46/635186846.db2.gz MVNCSWFEQLWPJR-HSBZDZAISA-N 1 0 291.391 3.165 20 10 CGCDRO CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@@H](C)c3ccccc3O)C[C@H]2C1 ZINC000877758304 635187466 /nfs/dbraw/zinc/18/74/66/635187466.db2.gz SEOLSUIVZGIJSN-SBJFKYEJSA-N 1 0 275.392 3.246 20 10 CGCDRO COC[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1O)C(C)C ZINC000841755794 635230142 /nfs/dbraw/zinc/23/01/42/635230142.db2.gz SAHMTQKRIWVUEE-GWCFXTLKSA-N 1 0 271.788 3.367 20 10 CGCDRO CCc1ncc(C[NH2+][C@H](C)c2ccc(Cl)cc2O)o1 ZINC000841758622 635231737 /nfs/dbraw/zinc/23/17/37/635231737.db2.gz UDVVSVLUNGBKGG-SECBINFHSA-N 1 0 280.755 3.447 20 10 CGCDRO CC[C@H](C)[C@@H](O)C[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841758340 635232000 /nfs/dbraw/zinc/23/20/00/635232000.db2.gz GSVZJOXLTTUXHR-BHDSKKPTSA-N 1 0 271.788 3.103 20 10 CGCDRO CC[C@@H]([NH2+][C@H]1CCN(CC(F)F)C1)c1ccc(C)cc1O ZINC000841765818 635234351 /nfs/dbraw/zinc/23/43/51/635234351.db2.gz VIIMZPXFDRPWGX-GXTWGEPZSA-N 1 0 298.377 3.081 20 10 CGCDRO CCn1cncc1C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000841833215 635242552 /nfs/dbraw/zinc/24/25/52/635242552.db2.gz UMGQACAYMJVMOW-UHFFFAOYSA-N 1 0 298.434 3.134 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+][C@@H]1COCc2ccccc21 ZINC000841891444 635249373 /nfs/dbraw/zinc/24/93/73/635249373.db2.gz PTVDEGKPTUEQQV-OAHLLOKOSA-N 1 0 289.762 3.407 20 10 CGCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@@H]1CCO[C@H]1C ZINC000877977873 635301511 /nfs/dbraw/zinc/30/15/11/635301511.db2.gz XAFSPHLHHRARHI-RDJZCZTQSA-N 1 0 290.451 3.388 20 10 CGCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@H]1CCO[C@H]1C ZINC000877977871 635302345 /nfs/dbraw/zinc/30/23/45/635302345.db2.gz XAFSPHLHHRARHI-DOTOQJQBSA-N 1 0 290.451 3.388 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)cc1C ZINC000842612575 635419328 /nfs/dbraw/zinc/41/93/28/635419328.db2.gz JVQIVKQHIDVVKM-RDJZCZTQSA-N 1 0 289.419 3.400 20 10 CGCDRO C[N@H+](Cc1ccccc1O)Cc1cccc2c1CCOC2 ZINC000878243036 635429432 /nfs/dbraw/zinc/42/94/32/635429432.db2.gz YNBOAVKXBABJJV-UHFFFAOYSA-N 1 0 283.371 3.097 20 10 CGCDRO COc1cccc(C[N@@H+]2CCc3ccsc3C2)c1O ZINC000127073316 635474101 /nfs/dbraw/zinc/47/41/01/635474101.db2.gz UKMRYIPOEWDRKN-UHFFFAOYSA-N 1 0 275.373 3.021 20 10 CGCDRO Cc1cc(Cl)cc(CN2CCCC[C@@H]2[C@H](C)[NH3+])c1O ZINC000843046474 635549740 /nfs/dbraw/zinc/54/97/40/635549740.db2.gz WTJBBYZBYUKXLZ-SMDDNHRTSA-N 1 0 282.815 3.056 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H](Oc3ccccc3)C2)c1 ZINC000843416746 635663580 /nfs/dbraw/zinc/66/35/80/635663580.db2.gz VUGBZWWMYIIWFV-KRWDZBQOSA-N 1 0 283.371 3.354 20 10 CGCDRO COc1ccc(O)c(C[NH2+]CC2CCC(F)CC2)c1 ZINC000843431997 635674963 /nfs/dbraw/zinc/67/49/63/635674963.db2.gz HFUNUBOEXTZWMS-UHFFFAOYSA-N 1 0 267.344 3.019 20 10 CGCDRO CCCCC[C@@H](C)NC(=O)C[NH2+][C@@H](C)c1ccccc1O ZINC000879653496 635827754 /nfs/dbraw/zinc/82/77/54/635827754.db2.gz QMXPSJYQRCIQHO-KGLIPLIRSA-N 1 0 292.423 3.128 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CNc3ccccc3C2)c1 ZINC000844919281 635983464 /nfs/dbraw/zinc/98/34/64/635983464.db2.gz DKGKTUOWACFMIN-GXTWGEPZSA-N 1 0 298.386 3.088 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CNc2ccccc2C1)c1ccc(N(C)C)cc1 ZINC000844919324 635983606 /nfs/dbraw/zinc/98/36/06/635983606.db2.gz FFESJZWZPGPAOT-RHSMWYFYSA-N 1 0 295.430 3.440 20 10 CGCDRO CC[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1cccc(Cl)c1[O-] ZINC000844921786 635984242 /nfs/dbraw/zinc/98/42/42/635984242.db2.gz UMEKUABRJWPIJB-CYBMUJFWSA-N 1 0 282.815 3.215 20 10 CGCDRO CC[C@@]1(C)CCC[C@H]1[NH2+]Cc1cccc(OC)c1O ZINC000845970157 636125654 /nfs/dbraw/zinc/12/56/54/636125654.db2.gz KVLMEVZMCZOFEY-ZBFHGGJFSA-N 1 0 263.381 3.459 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](OC(C)C)C2)c1 ZINC000846016828 636129926 /nfs/dbraw/zinc/12/99/26/636129926.db2.gz XSMVSGUHNVOUGY-INIZCTEOSA-N 1 0 293.407 3.180 20 10 CGCDRO CCOc1ccc(C[N@@H+]2C[C@H](CC)OC[C@@H]2CC)c(O)c1 ZINC000846027785 636132348 /nfs/dbraw/zinc/13/23/48/636132348.db2.gz QVAZJDVLORYSQQ-GJZGRUSLSA-N 1 0 293.407 3.180 20 10 CGCDRO C[C@]1(CC[NH2+]Cc2ccccc2O)C[C@@]1(F)Cl ZINC000846040217 636136048 /nfs/dbraw/zinc/13/60/48/636136048.db2.gz WZOKMUCJAJQXAO-STQMWFEESA-N 1 0 257.736 3.187 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](C2CC2)C2CCOCC2)cc1C ZINC000846041824 636136554 /nfs/dbraw/zinc/13/65/54/636136554.db2.gz CCDRKMGNNICQQP-SFHVURJKSA-N 1 0 289.419 3.298 20 10 CGCDRO C[C@@]1(CC[NH2+]Cc2ccc3c(c2)CCO3)C[C@]1(F)Cl ZINC000846041181 636136604 /nfs/dbraw/zinc/13/66/04/636136604.db2.gz ZLSSNWHGMQBSNJ-HUUCEWRRSA-N 1 0 283.774 3.416 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)c1 ZINC000846117886 636146784 /nfs/dbraw/zinc/14/67/84/636146784.db2.gz SCSZMHWHBUQZFN-CQSZACIVSA-N 1 0 283.318 3.022 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@H](C)c2cccnc2)c1O ZINC000846137272 636148822 /nfs/dbraw/zinc/14/88/22/636148822.db2.gz MYKXDNWMJMCADB-NEPJUHHUSA-N 1 0 272.348 3.208 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]CCOCCC(C)C)c1O ZINC000846141669 636148927 /nfs/dbraw/zinc/14/89/27/636148927.db2.gz MHHWCFCNVMBAJU-CYBMUJFWSA-N 1 0 281.396 3.114 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]CCc2ccc(C)o2)c1O ZINC000846140033 636148949 /nfs/dbraw/zinc/14/89/49/636148949.db2.gz ZAMRBQLPWBPRJV-GFCCVEGCSA-N 1 0 275.348 3.196 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@H](C)CC(C)(C)OC)c1O ZINC000846143542 636149309 /nfs/dbraw/zinc/14/93/09/636149309.db2.gz COCXOGRJSMSOQV-NEPJUHHUSA-N 1 0 281.396 3.255 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]CC[C@@H]2CCO[C@H](C)C2)c1O ZINC000846161975 636151028 /nfs/dbraw/zinc/15/10/28/636151028.db2.gz DKZAGRZSYFWKMV-HZSPNIEDSA-N 1 0 293.407 3.257 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]C[C@H]2COc3ccccc32)c1O ZINC000846169538 636152769 /nfs/dbraw/zinc/15/27/69/636152769.db2.gz DYTLNUIYNNLBKD-OLZOCXBDSA-N 1 0 299.370 3.228 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2CCCSC2)c1O ZINC000846171000 636152870 /nfs/dbraw/zinc/15/28/70/636152870.db2.gz NZJMAWUEOBIBBW-RYUDHWBXSA-N 1 0 281.421 3.195 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]CCC2(OC)CCC2)c1O ZINC000846172158 636153489 /nfs/dbraw/zinc/15/34/89/636153489.db2.gz WZEXCRLJXHWWKK-GFCCVEGCSA-N 1 0 279.380 3.011 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCC[N@@H+](C)CC(C)C)c(O)c1 ZINC000846178429 636153861 /nfs/dbraw/zinc/15/38/61/636153861.db2.gz VDMFILJFUMMZAY-HNNXBMFYSA-N 1 0 278.440 3.329 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@H](CCO)C2CCCCC2)cc1 ZINC000129513897 636290774 /nfs/dbraw/zinc/29/07/74/636290774.db2.gz LUVPSWPMHZCANO-GOSISDBHSA-N 1 0 290.451 3.174 20 10 CGCDRO COc1cccc(CC[NH2+]Cc2cc(F)cc(F)c2[O-])c1 ZINC000882893839 636450351 /nfs/dbraw/zinc/45/03/51/636450351.db2.gz DAFKTSBXFKOLHA-UHFFFAOYSA-N 1 0 293.313 3.011 20 10 CGCDRO Cc1ncncc1[C@@H](C)[NH2+]CCCSc1nccs1 ZINC000848529416 636591599 /nfs/dbraw/zinc/59/15/99/636591599.db2.gz UKZFVJQAVMDSGK-SNVBAGLBSA-N 1 0 294.449 3.075 20 10 CGCDRO C[C@H]([NH2+][C@H](C1CC1)[C@@H]1CCCCO1)c1ccccc1O ZINC000848557000 636604170 /nfs/dbraw/zinc/60/41/70/636604170.db2.gz BJFKHOWXDGVVSG-AFAVFJNCSA-N 1 0 275.392 3.391 20 10 CGCDRO C[C@H]([NH2+][C@H](C1CC1)[C@H]1CCCCO1)c1ccccc1O ZINC000848557001 636604637 /nfs/dbraw/zinc/60/46/37/636604637.db2.gz BJFKHOWXDGVVSG-JCURWCKSSA-N 1 0 275.392 3.391 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H](C2CC2)[C@H]2CCCCO2)c1 ZINC000848561321 636606514 /nfs/dbraw/zinc/60/65/14/636606514.db2.gz WNUAVZZDUPTCRT-IAGOWNOFSA-N 1 0 275.392 3.138 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)Cc2ccccn2)c1 ZINC000848565836 636608819 /nfs/dbraw/zinc/60/88/19/636608819.db2.gz TWYIAEIKLSKNJD-CHWSQXEVSA-N 1 0 286.375 3.078 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@H]1CCCCO1 ZINC000848574993 636613143 /nfs/dbraw/zinc/61/31/43/636613143.db2.gz KJJVFSKMPKREBJ-DOTOQJQBSA-N 1 0 275.392 3.059 20 10 CGCDRO COC[C@H]1C[C@@H]([NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)C1 ZINC000883319996 636671810 /nfs/dbraw/zinc/67/18/10/636671810.db2.gz XBNKUULADWPOMC-GMXVVIOVSA-N 1 0 283.799 3.430 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2C[C@@H](COC)C2)cc1 ZINC000883320649 636672185 /nfs/dbraw/zinc/67/21/85/636672185.db2.gz RFIMYCPGEPIGSH-FMKPAKJESA-N 1 0 276.424 3.218 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@@](C)(O)c2cccs2)c1O ZINC000848897280 636679649 /nfs/dbraw/zinc/67/96/49/636679649.db2.gz NXMNMZHFTSKUFI-MRXNPFEDSA-N 1 0 291.416 3.013 20 10 CGCDRO CCc1cccc(C[NH2+]CCCCNc2ccccn2)c1O ZINC000848895861 636680034 /nfs/dbraw/zinc/68/00/34/636680034.db2.gz PYZMKGUEUUZDGM-UHFFFAOYSA-N 1 0 299.418 3.332 20 10 CGCDRO CCc1cccc(C[NH2+]CC[C@@H]2CCO[C@H](C)C2)c1O ZINC000848901900 636682843 /nfs/dbraw/zinc/68/28/43/636682843.db2.gz FWETYOAKTXUBRL-ZIAGYGMSSA-N 1 0 277.408 3.249 20 10 CGCDRO CCc1cccc(C[NH2+]CC[C@@](C)(O)c2ccccc2)c1O ZINC000848903786 636683516 /nfs/dbraw/zinc/68/35/16/636683516.db2.gz DEGGHDKHICSUSM-LJQANCHMSA-N 1 0 299.414 3.342 20 10 CGCDRO CCc1cccc(C[NH2+]CC[C@H](OC)C(F)(F)F)c1O ZINC000848904883 636683776 /nfs/dbraw/zinc/68/37/76/636683776.db2.gz CIXMRWKRVRMTTR-LBPRGKRZSA-N 1 0 291.313 3.012 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H](C)c2cnn(CC)c2)c1O ZINC000848915292 636688359 /nfs/dbraw/zinc/68/83/59/636688359.db2.gz VFQUWJVZVJCJNB-LBPRGKRZSA-N 1 0 273.380 3.022 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H]2CCO[C@H](CC)C2)c1O ZINC000848917450 636690041 /nfs/dbraw/zinc/69/00/41/636690041.db2.gz GIUNVZZRDWDTOV-HUUCEWRRSA-N 1 0 263.381 3.002 20 10 CGCDRO CCc1cccc(C[N@H+](C)[C@H](CO)c2ccccc2)c1O ZINC000848916323 636690223 /nfs/dbraw/zinc/69/02/23/636690223.db2.gz SSFHYLZFWKOOMY-QGZVFWFLSA-N 1 0 285.387 3.120 20 10 CGCDRO CCc1cccc(C[N@@H+]2C[C@@H](O)C[C@H]2c2ccccc2)c1O ZINC000848916102 636690334 /nfs/dbraw/zinc/69/03/34/636690334.db2.gz CQZAUMWCBWQLIB-ROUUACIJSA-N 1 0 297.398 3.263 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@@H](CC(C)C)OC)c1O ZINC000848918348 636691062 /nfs/dbraw/zinc/69/10/62/636691062.db2.gz WWTYSOQIYYGLCX-OAHLLOKOSA-N 1 0 265.397 3.105 20 10 CGCDRO CCOc1cccc(C[NH2+][C@H](CC)[C@H]2CCCOC2)c1O ZINC000883352412 636692861 /nfs/dbraw/zinc/69/28/61/636692861.db2.gz ALAYAFNPGLNETI-LSDHHAIUSA-N 1 0 293.407 3.086 20 10 CGCDRO COCC1(C[NH2+]Cc2ccc3ccccc3c2O)CC1 ZINC000848923947 636695986 /nfs/dbraw/zinc/69/59/86/636695986.db2.gz TUWGGAICULRRJX-UHFFFAOYSA-N 1 0 271.360 3.062 20 10 CGCDRO CCc1cccc(C[NH2+][C@H]2CCCN3CCCC[C@@H]23)c1O ZINC000848927955 636701001 /nfs/dbraw/zinc/70/10/01/636701001.db2.gz RFPPYDWFRRISQR-IRXDYDNUSA-N 1 0 288.435 3.061 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C2CCC3(COC3)CC2)c(Cl)c1 ZINC000883387901 636728931 /nfs/dbraw/zinc/72/89/31/636728931.db2.gz HUSKFCPJPNLJFD-UHFFFAOYSA-N 1 0 295.810 3.403 20 10 CGCDRO CC[C@@H](C)[N@H+](C)Cc1cc(Br)ccc1O ZINC000132518018 636814717 /nfs/dbraw/zinc/81/47/17/636814717.db2.gz HRAKQKFOFWIOBO-SECBINFHSA-N 1 0 272.186 3.385 20 10 CGCDRO CC[N@H+](Cc1cccc(Br)c1[O-])C(C)C ZINC000132567862 636820032 /nfs/dbraw/zinc/82/00/32/636820032.db2.gz RJLHELNWSFWRRM-UHFFFAOYSA-N 1 0 272.186 3.385 20 10 CGCDRO COc1cc(C[NH2+]CC[C@H](C)OC)c(O)c(C(C)(C)C)c1 ZINC000850113766 636961098 /nfs/dbraw/zinc/96/10/98/636961098.db2.gz UUWJWDJBIVRIMX-LBPRGKRZSA-N 1 0 295.423 3.213 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](c3ccccc3)C2)c1 ZINC000133698113 636970439 /nfs/dbraw/zinc/97/04/39/636970439.db2.gz TWYOLEAJCOTVOA-HNNXBMFYSA-N 1 0 283.371 3.390 20 10 CGCDRO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1O)CC2 ZINC000134445633 637023306 /nfs/dbraw/zinc/02/33/06/637023306.db2.gz GTFWHHIGFLOADD-INIZCTEOSA-N 1 0 253.345 3.478 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@H]2C[C@H](O)c3ccccc32)c1 ZINC000850372480 637035275 /nfs/dbraw/zinc/03/52/75/637035275.db2.gz VCYSVPDOEBECEB-WMZOPIPTSA-N 1 0 299.370 3.059 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CCC(C)(C)F)cc1F ZINC000850374332 637037018 /nfs/dbraw/zinc/03/70/18/637037018.db2.gz IXYOHFWUSWIHEY-UHFFFAOYSA-N 1 0 256.340 3.120 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C[C@H]2C(C)(C)C2(F)F)cc1 ZINC000850394090 637045626 /nfs/dbraw/zinc/04/56/26/637045626.db2.gz LBWSYDGRBUPTFH-ZDUSSCGKSA-N 1 0 268.351 3.134 20 10 CGCDRO CC1(C)[C@@H](C[NH2+]Cc2ccc3c(c2)CCO3)C1(F)F ZINC000850394622 637046722 /nfs/dbraw/zinc/04/67/22/637046722.db2.gz WXLBQDOPWSKGFF-CYBMUJFWSA-N 1 0 267.319 3.002 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2CCOC2(C)C)cc1 ZINC000850408391 637052013 /nfs/dbraw/zinc/05/20/13/637052013.db2.gz LFABZRRSWFXCQZ-INIZCTEOSA-N 1 0 290.451 3.438 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H](c2ccccc2)[C@H](C)O)cc1C ZINC000850420602 637055312 /nfs/dbraw/zinc/05/53/12/637055312.db2.gz PWMICOSUWGSDAC-KBXCAEBGSA-N 1 0 285.387 3.221 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCCSCC1 ZINC000850436663 637061713 /nfs/dbraw/zinc/06/17/13/637061713.db2.gz VTGBSWCKKLZZKS-OAHLLOKOSA-N 1 0 278.465 3.436 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2COC(C)(C)C2)cc1 ZINC000850482843 637086524 /nfs/dbraw/zinc/08/65/24/637086524.db2.gz SGDMORHOFRQIJJ-DZGCQCFKSA-N 1 0 276.424 3.361 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+][C@H](C)CCC3CC3)C2)cc1 ZINC000850488435 637087708 /nfs/dbraw/zinc/08/77/08/637087708.db2.gz MRWCCOZXDKVJOW-ZBFHGGJFSA-N 1 0 288.435 3.442 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1)[C@H]1C[C@@H]1C ZINC000850487053 637088034 /nfs/dbraw/zinc/08/80/34/637088034.db2.gz LNHPIZQZQKVTRV-DACLVMHWSA-N 1 0 288.435 3.298 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+][C@H](C)c3ccccn3)C2)cc1 ZINC000850489454 637089113 /nfs/dbraw/zinc/08/91/13/637089113.db2.gz URLJTBRKABVOSX-CABCVRRESA-N 1 0 297.402 3.020 20 10 CGCDRO CC[C@H](COCC1CC1)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000850493192 637089555 /nfs/dbraw/zinc/08/95/55/637089555.db2.gz HVMYWZSUUFWWLC-BXUZGUMPSA-N 1 0 281.371 3.387 20 10 CGCDRO CN1CCCc2cc(C[NH2+][C@H]3CCOC(C)(C)C3)ccc21 ZINC000215887927 637097069 /nfs/dbraw/zinc/09/70/69/637097069.db2.gz MDKBHJFROAYXEB-INIZCTEOSA-N 1 0 288.435 3.116 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2COC3(CCC3)C2)c(O)c1C ZINC000850524717 637104293 /nfs/dbraw/zinc/10/42/93/637104293.db2.gz HRYWVPPIOPJTDK-ZIAGYGMSSA-N 1 0 275.392 3.371 20 10 CGCDRO C[C@H]([NH2+][C@@H]1C[C@@H](O)c2ccccc21)c1ccccc1O ZINC000850530449 637107470 /nfs/dbraw/zinc/10/74/70/637107470.db2.gz YZAXSQHHIIUCKX-UXEPBGEESA-N 1 0 269.344 3.221 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2C[C@H](O)C23CCC3)cc1 ZINC000850547754 637116865 /nfs/dbraw/zinc/11/68/65/637116865.db2.gz VRYCACOICYEWKC-XKQJLSEDSA-N 1 0 288.435 3.097 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](CO)CC1CC1)c1ccc(C)cc1O ZINC000850546174 637116973 /nfs/dbraw/zinc/11/69/73/637116973.db2.gz XDFJSDSEKAAGQL-HOCLYGCPSA-N 1 0 277.408 3.150 20 10 CGCDRO CC1(C)[C@H](C[NH2+][C@@H]2CCc3cccc(O)c32)C1(F)F ZINC000850553290 637118923 /nfs/dbraw/zinc/11/89/23/637118923.db2.gz VMECOAUSEJPYSU-PWSUYJOCSA-N 1 0 267.319 3.260 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]CC2CCC(O)CC2)c2c1c(F)ccc2O ZINC000850555130 637120668 /nfs/dbraw/zinc/12/06/68/637120668.db2.gz MEZSRTKWZJNVGU-NPZBDFSRSA-N 1 0 293.382 3.220 20 10 CGCDRO C[C@H]([NH2+]CC1CCC(O)CC1)c1cc(Cl)ccc1O ZINC000850556934 637121569 /nfs/dbraw/zinc/12/15/69/637121569.db2.gz ULGQHUVDMJLAQG-ZBOXLXRLSA-N 1 0 283.799 3.247 20 10 CGCDRO CCCN1CC[C@H]([NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)C1 ZINC000850557289 637122023 /nfs/dbraw/zinc/12/20/23/637122023.db2.gz VZQHGUMLFHSMAX-SGMGOOAPSA-N 1 0 292.398 3.154 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CC2(O)CCC(F)(F)CC2)c1 ZINC000850565393 637127119 /nfs/dbraw/zinc/12/71/19/637127119.db2.gz ANYLLYJHRPHBMC-LBPRGKRZSA-N 1 0 299.361 3.292 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](C)c2nccn2C)cc1 ZINC000850572961 637129924 /nfs/dbraw/zinc/12/99/24/637129924.db2.gz RJOTZDLAUGGXIU-KBPBESRZSA-N 1 0 286.423 3.288 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](c2ccccc2)[C@@H](C)O)c(O)c1 ZINC000850584723 637133163 /nfs/dbraw/zinc/13/31/63/637133163.db2.gz SSYJHSMKEUCQET-PMUMKWKESA-N 1 0 285.387 3.473 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCC[C@@H](OC)CC2)c1 ZINC000886153654 637438654 /nfs/dbraw/zinc/43/86/54/637438654.db2.gz MMVWLFWVJRLSKX-MELADBBJSA-N 1 0 293.407 3.399 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]C[C@H]1CC2(CCC2)CO1 ZINC000886289432 637486299 /nfs/dbraw/zinc/48/62/99/637486299.db2.gz VMOHPROOVGPBCT-CYBMUJFWSA-N 1 0 281.783 3.094 20 10 CGCDRO CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2c([O-])cccc2F)C1 ZINC000886522024 637550795 /nfs/dbraw/zinc/55/07/95/637550795.db2.gz AMSJGLUYZCADRC-KGLIPLIRSA-N 1 0 294.414 3.302 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC[C@H]2CC(C)(C)CO2)c1 ZINC000886718199 637671492 /nfs/dbraw/zinc/67/14/92/637671492.db2.gz STQNHJGJBYYWKZ-OCCSQVGLSA-N 1 0 293.407 3.257 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@@H]1CCC3(CCC3)CO1)CC2 ZINC000886730602 637674580 /nfs/dbraw/zinc/67/45/80/637674580.db2.gz HPIQIMBCRNWZHZ-GJZGRUSLSA-N 1 0 287.403 3.318 20 10 CGCDRO COCC1([NH2+]Cc2cc(C)c(C)cc2O)CCCCC1 ZINC000853091131 637754608 /nfs/dbraw/zinc/75/46/08/637754608.db2.gz MMQLJGPBCAYSJR-UHFFFAOYSA-N 1 0 277.408 3.448 20 10 CGCDRO CCSCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC000301770775 637883601 /nfs/dbraw/zinc/88/36/01/637883601.db2.gz JHYOKMJVUSVBDD-UHFFFAOYSA-N 1 0 253.411 3.236 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(N)c2)c(O)c1C ZINC000854216738 638025247 /nfs/dbraw/zinc/02/52/47/638025247.db2.gz CYTNRFZEDHGZDI-CYBMUJFWSA-N 1 0 270.376 3.442 20 10 CGCDRO COc1ccc(C[NH2+]Cc2cc(C)ccc2O)cc1C ZINC000113332662 638200559 /nfs/dbraw/zinc/20/05/59/638200559.db2.gz MWOTYZYKAPRGHX-UHFFFAOYSA-N 1 0 271.360 3.307 20 10 CGCDRO ClC1(Cl)C[C@H]1CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000856806835 638393848 /nfs/dbraw/zinc/39/38/48/638393848.db2.gz JLALWRABVDLQDU-GFCCVEGCSA-N 1 0 286.202 3.295 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccnn1C1CCC1 ZINC000924900780 638422509 /nfs/dbraw/zinc/42/25/09/638422509.db2.gz PAQCTHFYWGDOKH-ZDUSSCGKSA-N 1 0 297.402 3.394 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cnn(C2CCC2)c1 ZINC000924902423 638423022 /nfs/dbraw/zinc/42/30/22/638423022.db2.gz ZJMKYKUCGLTYLA-CYBMUJFWSA-N 1 0 297.402 3.394 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cccs1 ZINC000115629329 638569973 /nfs/dbraw/zinc/56/99/73/638569973.db2.gz PMEFSXNYBNBRAB-UHFFFAOYSA-N 1 0 260.406 3.412 20 10 CGCDRO C[C@H]1SCC[C@H]1[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858184992 638652042 /nfs/dbraw/zinc/65/20/42/638652042.db2.gz QFOGRTKFYJTCIQ-NOZJJQNGSA-N 1 0 286.391 3.014 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2cccc3c2CCC3)c1 ZINC000858239868 638661337 /nfs/dbraw/zinc/66/13/37/638661337.db2.gz VFCYSYROLADBRA-UHFFFAOYSA-N 1 0 267.372 3.479 20 10 CGCDRO CC(C)CC[C@H](CO)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000858241251 638661588 /nfs/dbraw/zinc/66/15/88/638661588.db2.gz NHXCXOXILXEJCW-KEGWNNHHSA-N 1 0 290.451 3.153 20 10 CGCDRO COc1cccc(O)c1C[NH2+]CC[C@H]1CC=CCC1 ZINC000858271824 638669827 /nfs/dbraw/zinc/66/98/27/638669827.db2.gz MWMILOGZQWHCMP-ZDUSSCGKSA-N 1 0 261.365 3.237 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c(O)c1C ZINC000858490085 638739279 /nfs/dbraw/zinc/73/92/79/638739279.db2.gz BAWFSWNVJQZOFA-HOTGVXAUSA-N 1 0 290.451 3.392 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@]2(C)C[C@H]3C[C@H]3C2)c1 ZINC000858538760 638757705 /nfs/dbraw/zinc/75/77/05/638757705.db2.gz XUHQAWYVOBBQKU-JRATXPSKSA-N 1 0 275.392 3.488 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@@H](C)c1ncco1 ZINC000926594427 638789275 /nfs/dbraw/zinc/78/92/75/638789275.db2.gz BPTARJZFFRYIPC-KGLIPLIRSA-N 1 0 287.407 3.331 20 10 CGCDRO CCc1onc(C)c1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000927133707 638846294 /nfs/dbraw/zinc/84/62/94/638846294.db2.gz DBYVSZALRZDRQJ-ZDUSSCGKSA-N 1 0 272.348 3.028 20 10 CGCDRO CO[C@H]1C[C@H]([NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)C1 ZINC000858583618 638997901 /nfs/dbraw/zinc/99/79/01/638997901.db2.gz DZCFJILZUHVJDY-CQDKDKBSSA-N 1 0 275.392 3.099 20 10 CGCDRO CC[C@H]([NH2+]C[C@H]1C[C@@H](OC)C1)c1ccc(N(C)C)cc1 ZINC000858593087 638999367 /nfs/dbraw/zinc/99/93/67/638999367.db2.gz RZLFICFMCISVEZ-XKQJLSEDSA-N 1 0 276.424 3.218 20 10 CGCDRO CC[C@H](C)[N@H+](CC)Cc1ccc(N2CCOCC2)cc1 ZINC000930925304 639087400 /nfs/dbraw/zinc/08/74/00/639087400.db2.gz XKCCYOLULYGSND-HNNXBMFYSA-N 1 0 276.424 3.144 20 10 CGCDRO C[C@@H]1C[NH+](Cc2ccc(N(C)C)cc2)C[C@@H](C)C1(F)F ZINC000859414549 639138091 /nfs/dbraw/zinc/13/80/91/639138091.db2.gz HXNFEUQUPNMWBE-CHWSQXEVSA-N 1 0 282.378 3.476 20 10 CGCDRO C[C@H]1C[NH+](Cc2ccc(N(C)C)cc2)C[C@H](C)C1(F)F ZINC000859414550 639138159 /nfs/dbraw/zinc/13/81/59/639138159.db2.gz HXNFEUQUPNMWBE-STQMWFEESA-N 1 0 282.378 3.476 20 10 CGCDRO CS[C@@H]1CCC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000117393667 639326299 /nfs/dbraw/zinc/32/62/99/639326299.db2.gz VSKOBPRAXZPQNJ-LSDHHAIUSA-N 1 0 277.433 3.385 20 10 CGCDRO C[C@@H]1SCC[N@H+](Cc2cc3c(cc2O)CCC3)[C@H]1C ZINC000118381781 639599455 /nfs/dbraw/zinc/59/94/55/639599455.db2.gz JYSJMPTVKGCDED-RYUDHWBXSA-N 1 0 277.433 3.207 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]C1(Cc2ccccc2)CC1 ZINC000187492040 639620271 /nfs/dbraw/zinc/62/02/71/639620271.db2.gz ZYDHBWLNTYRMBG-UHFFFAOYSA-N 1 0 271.335 3.396 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCN2CCCCCC2)c(O)c1 ZINC000040767559 639896339 /nfs/dbraw/zinc/89/63/39/639896339.db2.gz KERGIGIWBSIFTK-OAHLLOKOSA-N 1 0 276.424 3.227 20 10 CGCDRO COc1cc(O)c(C[N@H+](C)Cc2ccccc2)cc1OC ZINC000159458516 640046864 /nfs/dbraw/zinc/04/68/64/640046864.db2.gz ILLJTPLCCFBOFO-UHFFFAOYSA-N 1 0 287.359 3.041 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCC(C)(C)O2)c1 ZINC000187856895 640101545 /nfs/dbraw/zinc/10/15/45/640101545.db2.gz NOIMCQLJNOPQIV-WCQYABFASA-N 1 0 279.380 3.009 20 10 CGCDRO C[C@@H]([NH2+][C@H](C)c1ccccc1O)c1ccc(NC(N)=O)cc1 ZINC000192850852 640410760 /nfs/dbraw/zinc/41/07/60/640410760.db2.gz OCASTYRLAAMRLT-VXGBXAGGSA-N 1 0 299.374 3.295 20 10 CGCDRO CCO[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)c1ccccc1 ZINC000194461293 640533294 /nfs/dbraw/zinc/53/32/94/640533294.db2.gz UTYRRMMVULIUTG-IBGZPJMESA-N 1 0 297.398 3.489 20 10 CGCDRO CC[C@@H](C)C[C@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000088292495 640616413 /nfs/dbraw/zinc/61/64/13/640616413.db2.gz HAZYOUNXEHUUDQ-MNOVXSKESA-N 1 0 265.353 3.035 20 10 CGCDRO C[C@@H]([NH2+]CCN1CCC[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000246852848 640696376 /nfs/dbraw/zinc/69/63/76/640696376.db2.gz CQJVENBNDNTXBV-JKSUJKDBSA-N 1 0 289.467 3.135 20 10 CGCDRO C[N@H+](Cc1cnc(C2CC2)s1)Cc1ccccc1O ZINC000091974648 640728546 /nfs/dbraw/zinc/72/85/46/640728546.db2.gz CRJWLUZAAQAKEQ-UHFFFAOYSA-N 1 0 274.389 3.358 20 10 CGCDRO COc1ccc2c(c1)C[N@@H+](Cc1cc(C)ccc1O)CC2 ZINC000092507724 640739286 /nfs/dbraw/zinc/73/92/86/640739286.db2.gz UITOMSQTAPRLQI-UHFFFAOYSA-N 1 0 283.371 3.268 20 10 CGCDRO C[C@H]([NH2+][C@@H](C)[C@@H](O)Cc1ccccc1)c1ccccc1O ZINC000248393053 640755695 /nfs/dbraw/zinc/75/56/95/640755695.db2.gz WODADCQSNWUURW-DEYYWGMASA-N 1 0 285.387 3.035 20 10 CGCDRO C[C@@H]([NH2+]CC1(N(C)C)CCCCC1)c1cc(F)ccc1O ZINC000094616792 640799160 /nfs/dbraw/zinc/79/91/60/640799160.db2.gz BUISXKXBAGRKQX-CYBMUJFWSA-N 1 0 294.414 3.446 20 10 CGCDRO Oc1ccc(Cl)cc1CN1CCC[C@@H]([NH2+]CC2CC2)C1 ZINC000113359252 640976143 /nfs/dbraw/zinc/97/61/43/640976143.db2.gz YCZPXASGHFWULE-OAHLLOKOSA-N 1 0 294.826 3.010 20 10 CGCDRO CC[C@H](C)[C@@](C)(O)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001251801871 805937476 /nfs/dbraw/zinc/93/74/76/805937476.db2.gz UUGHZGCWLNHZGJ-YJBOKZPZSA-N 1 0 290.451 3.174 20 10 CGCDRO Nc1ccc(Nc2ccc(O[C@@H]3CCC[NH2+]C3)cc2)cc1 ZINC001159948574 806202930 /nfs/dbraw/zinc/20/29/30/806202930.db2.gz ILFZPHXPXFKRIP-QGZVFWFLSA-N 1 0 283.375 3.143 20 10 CGCDRO CCCCCC[C@@H](C)[NH2+]CCc1cc(O)c(O)cc1O ZINC001257363754 807125617 /nfs/dbraw/zinc/12/56/17/807125617.db2.gz YYYBKQHSSMOQNO-GFCCVEGCSA-N 1 0 281.396 3.294 20 10 CGCDRO CCCCC[C@H](O)C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC001253536439 806239754 /nfs/dbraw/zinc/23/97/54/806239754.db2.gz HFHGSIWELRZDTK-KRWDZBQOSA-N 1 0 278.440 3.126 20 10 CGCDRO CCOc1cc[nH+]c(NCc2c(C)cc(C)cc2O)c1 ZINC001160810139 806305527 /nfs/dbraw/zinc/30/55/27/806305527.db2.gz KBXCHGYYXRKFHP-UHFFFAOYSA-N 1 0 272.348 3.415 20 10 CGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2[NH2+][C@H]1CCCOC1 ZINC001254374630 806388378 /nfs/dbraw/zinc/38/83/78/806388378.db2.gz JSJBSNLBHRAHKL-SUMWQHHRSA-N 1 0 289.419 3.401 20 10 CGCDRO Oc1cc2ccccc2cc1C[NH2+][C@@H]1CC2CCN(CC2)C1 ZINC001254846978 806497161 /nfs/dbraw/zinc/49/71/61/806497161.db2.gz ZGANHLJAUJTDRC-GOSISDBHSA-N 1 0 296.414 3.119 20 10 CGCDRO Oc1cc2ccccc2cc1C[NH2+][C@H]1CC2CCN(CC2)C1 ZINC001254846979 806497598 /nfs/dbraw/zinc/49/75/98/806497598.db2.gz ZGANHLJAUJTDRC-SFHVURJKSA-N 1 0 296.414 3.119 20 10 CGCDRO CCOCC1CC[NH+](Cc2cccc(OCC)c2O)CC1 ZINC000093394038 798964474 /nfs/dbraw/zinc/96/44/74/798964474.db2.gz BSAWAAIRZATPRU-UHFFFAOYSA-N 1 0 293.407 3.039 20 10 CGCDRO CC[C@](C)(C[NH2+]Cc1ccc(N2CCCC2)cc1)OC ZINC000322804122 799247512 /nfs/dbraw/zinc/24/75/12/799247512.db2.gz RIERYXKLTYSFBE-QGZVFWFLSA-N 1 0 276.424 3.192 20 10 CGCDRO CC(C)[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)CCCO1 ZINC000381146705 799373453 /nfs/dbraw/zinc/37/34/53/799373453.db2.gz RORKTNLUNAFVLK-HNNXBMFYSA-N 1 0 283.799 3.293 20 10 CGCDRO CC[C@H]1CC[C@H]1[NH2+]CCCSc1nccs1 ZINC000381569395 799381336 /nfs/dbraw/zinc/38/13/36/799381336.db2.gz WJPMQGCJFQWHTF-WDEREUQCSA-N 1 0 256.440 3.404 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCS[C@H]1C)c1cc(F)ccc1O ZINC000383865264 799408284 /nfs/dbraw/zinc/40/82/84/799408284.db2.gz OQJVRRNMHOYQJO-AUTRQRHGSA-N 1 0 255.358 3.076 20 10 CGCDRO C[C@H](CC(C)(C)C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000384451849 799416443 /nfs/dbraw/zinc/41/64/43/799416443.db2.gz ADISOLYBSLZEMI-SNVBAGLBSA-N 1 0 265.353 3.035 20 10 CGCDRO C[C@@H]([NH2+][C@H](CO)C1CCCCC1)c1cc(F)ccc1O ZINC000386038829 799430495 /nfs/dbraw/zinc/43/04/95/799430495.db2.gz AJDJPZVSSSNTQP-IAQYHMDHSA-N 1 0 281.371 3.123 20 10 CGCDRO CO[C@@H]([C@@H](C)[NH2+][C@@H](C)c1cc(C)ccc1O)C1CC1 ZINC000388269918 799451932 /nfs/dbraw/zinc/45/19/32/799451932.db2.gz FLSOLJOLTKVTIH-OZVIIMIRSA-N 1 0 263.381 3.165 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)[C@@H]1CCCOC1 ZINC000388916761 799457611 /nfs/dbraw/zinc/45/76/11/799457611.db2.gz CNZVFQVTROMERQ-DOTOQJQBSA-N 1 0 288.435 3.192 20 10 CGCDRO CC1(C)SC[C@@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000393872483 799492017 /nfs/dbraw/zinc/49/20/17/799492017.db2.gz CKZCTCTXWZUGFW-HNNXBMFYSA-N 1 0 276.449 3.270 20 10 CGCDRO CS[C@@H]1CC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000394998328 799501539 /nfs/dbraw/zinc/50/15/39/799501539.db2.gz ILCRLPBFIYMVSK-GFCCVEGCSA-N 1 0 299.823 3.186 20 10 CGCDRO C[C@H](CCCO)C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000395000922 799501634 /nfs/dbraw/zinc/50/16/34/799501634.db2.gz FTMXYPRNEHIECP-MRXNPFEDSA-N 1 0 290.451 3.175 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2CC[C@H](C)O2)cc1 ZINC000398109648 799527168 /nfs/dbraw/zinc/52/71/68/799527168.db2.gz MILIFNCHGJNPCO-WMLDXEAASA-N 1 0 276.424 3.190 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@](C)(CO)C(C)C)cc1 ZINC000398583658 799531927 /nfs/dbraw/zinc/53/19/27/799531927.db2.gz RKMXHJFSLQUUQD-KRWDZBQOSA-N 1 0 278.440 3.029 20 10 CGCDRO CC[C@H]1C[NH+](Cc2cccc(C)c2O)C[C@H](CC)O1 ZINC000398797953 799532736 /nfs/dbraw/zinc/53/27/36/799532736.db2.gz SHGCFODIJJJCRF-GJZGRUSLSA-N 1 0 263.381 3.090 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)c1 ZINC000403530935 799567396 /nfs/dbraw/zinc/56/73/96/799567396.db2.gz AJODNXMDOCEJCH-AGUYFDCRSA-N 1 0 263.406 3.217 20 10 CGCDRO c1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)cc2c1OCC2 ZINC000403509326 799567543 /nfs/dbraw/zinc/56/75/43/799567543.db2.gz LGFXTEPQZJMNFY-GOOCMWNKSA-N 1 0 275.417 3.138 20 10 CGCDRO CCOc1cccc(C[N@@H+]2C[C@H](CC)OC[C@H]2CC)c1O ZINC000403906012 799572265 /nfs/dbraw/zinc/57/22/65/799572265.db2.gz WWPGRYCSRWKPEE-CABCVRRESA-N 1 0 293.407 3.180 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1COC2(CCC2)C1)c1ccccc1O ZINC000688280974 799746415 /nfs/dbraw/zinc/74/64/15/799746415.db2.gz BFYWKDTZTVPQTB-JSGCOSHPSA-N 1 0 261.365 3.145 20 10 CGCDRO CC[C@H]1C[C@@H]([NH2+]Cc2ccc(N(CC)CC)cc2)CO1 ZINC000688530816 799749923 /nfs/dbraw/zinc/74/99/23/799749923.db2.gz PLNCQOQUIQKWEK-WBVHZDCISA-N 1 0 276.424 3.190 20 10 CGCDRO C[C@@H]([NH2+]C[C@@]1(C)CC1(F)F)c1ccc(N(C)C)cc1 ZINC000689246698 799763673 /nfs/dbraw/zinc/76/36/73/799763673.db2.gz GSPFZOZQDOEOGV-BXUZGUMPSA-N 1 0 268.351 3.449 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H](CCF)C2)c1 ZINC000689870025 799770838 /nfs/dbraw/zinc/77/08/38/799770838.db2.gz YZTJQLCTEHAKTD-CYBMUJFWSA-N 1 0 251.345 3.272 20 10 CGCDRO CC1([NH2+]Cc2ccc(Br)cc2O)CCC1 ZINC000691395511 799783479 /nfs/dbraw/zinc/78/34/79/799783479.db2.gz MSGHMNVETLFJCB-UHFFFAOYSA-N 1 0 270.170 3.187 20 10 CGCDRO CCc1cccc(C[NH2+]CCCCOC(C)C)c1O ZINC000691450794 799784185 /nfs/dbraw/zinc/78/41/85/799784185.db2.gz YZTBNPUPBACYTH-UHFFFAOYSA-N 1 0 265.397 3.249 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@@]2(C)CCCS2)c1O ZINC000691497792 799784973 /nfs/dbraw/zinc/78/49/73/799784973.db2.gz CHZTYEIWHMLELI-OAHLLOKOSA-N 1 0 265.422 3.330 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CC2SCCS2)c1 ZINC000692905849 799803945 /nfs/dbraw/zinc/80/39/45/799803945.db2.gz VRMHTNRXSHISHW-JTQLQIEISA-N 1 0 269.435 3.157 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCC2SCCS2)c1 ZINC000693775520 799813655 /nfs/dbraw/zinc/81/36/55/799813655.db2.gz FLVPVNAPVMDPDX-JTQLQIEISA-N 1 0 299.461 3.248 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]CCC1SCCS1)CC2 ZINC000693800880 799815779 /nfs/dbraw/zinc/81/57/79/799815779.db2.gz FJVZDLGKHWLXJM-LLVKDONJSA-N 1 0 281.446 3.165 20 10 CGCDRO CC(C)OC1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000695088352 799825559 /nfs/dbraw/zinc/82/55/59/799825559.db2.gz ANWHIWGVKYAOFR-UHFFFAOYSA-N 1 0 283.799 3.435 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCCC3(CC3)C2)c1 ZINC000695762346 799834752 /nfs/dbraw/zinc/83/47/52/799834752.db2.gz YARPENWBENOTEM-CYBMUJFWSA-N 1 0 261.365 3.213 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1cscn1 ZINC000697819214 799849579 /nfs/dbraw/zinc/84/95/79/799849579.db2.gz JWJCAADJHZWCDQ-GXSJLCMTSA-N 1 0 260.362 3.187 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC000697966430 799851816 /nfs/dbraw/zinc/85/18/16/799851816.db2.gz PMLLYLDSUAVVQX-FVCCEPFGSA-N 1 0 261.365 3.098 20 10 CGCDRO C[C@H]([NH2+]CCSCC(F)(F)F)c1ccccc1O ZINC000698884509 799858201 /nfs/dbraw/zinc/85/82/01/799858201.db2.gz LBOKNIUWDRRTJT-VIFPVBQESA-N 1 0 279.327 3.338 20 10 CGCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1ccc(Cl)cn1 ZINC000700927293 799882411 /nfs/dbraw/zinc/88/24/11/799882411.db2.gz TYHTUFIHSXMPEE-UHFFFAOYSA-N 1 0 287.794 3.147 20 10 CGCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1cncc(Cl)c1 ZINC000700945483 799882979 /nfs/dbraw/zinc/88/29/79/799882979.db2.gz BOMGXHDYIIVMPT-UHFFFAOYSA-N 1 0 287.794 3.147 20 10 CGCDRO CCCO[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000701666419 799893192 /nfs/dbraw/zinc/89/31/92/799893192.db2.gz VNLPCEHMBKTQOE-CYBMUJFWSA-N 1 0 269.772 3.047 20 10 CGCDRO CCC(C)(C)[NH2+]Cc1c(O)cccc1Br ZINC000706842416 799968050 /nfs/dbraw/zinc/96/80/50/799968050.db2.gz HYJHFOLRMCJYSY-UHFFFAOYSA-N 1 0 272.186 3.433 20 10 CGCDRO CCC1(C[NH2+]Cc2c(O)cccc2Br)CC1 ZINC000706857783 799969489 /nfs/dbraw/zinc/96/94/89/799969489.db2.gz BBMXXRIZCRYYGD-UHFFFAOYSA-N 1 0 284.197 3.435 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+][C@H]1CCCC12CC2 ZINC000706934545 799970192 /nfs/dbraw/zinc/97/01/92/799970192.db2.gz FORYSHUCXMIDDN-ZDUSSCGKSA-N 1 0 251.757 3.468 20 10 CGCDRO CCc1cccc(C[N@H+](C)CCOC(C)(C)C)c1O ZINC000708573452 799991287 /nfs/dbraw/zinc/99/12/87/799991287.db2.gz NJRAXDFNSHOEOQ-UHFFFAOYSA-N 1 0 265.397 3.202 20 10 CGCDRO COc1cccc(C[N@@H+]2CC[C@@H](C3CCCC3)C2)c1O ZINC000708870487 799999744 /nfs/dbraw/zinc/99/97/44/799999744.db2.gz QKCFKYFIOCVWFT-CQSZACIVSA-N 1 0 275.392 3.413 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H](C)c2c(C)noc2C)c1O ZINC000709401264 800008411 /nfs/dbraw/zinc/00/84/11/800008411.db2.gz HZIJIRHRZBAIDQ-JTQLQIEISA-N 1 0 274.364 3.410 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000710599682 800037587 /nfs/dbraw/zinc/03/75/87/800037587.db2.gz BQBQUPLFMKREPK-ZWUHOBOKSA-N 1 0 275.392 3.488 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H]1CC(C)(C)CO1)c1ccccc1O ZINC000717318316 800199087 /nfs/dbraw/zinc/19/90/87/800199087.db2.gz NSCBQBNJXUXLFL-JSGCOSHPSA-N 1 0 263.381 3.248 20 10 CGCDRO COc1ccc(C[NH2+]C[C@H]2CC[C@@H](C3CC3)O2)cc1C ZINC000722333792 800314632 /nfs/dbraw/zinc/31/46/32/800314632.db2.gz OQKZFDBCGNJDBG-WBVHZDCISA-N 1 0 275.392 3.051 20 10 CGCDRO COc1ccc(N(CCC[NH3+])C(C)C)c2ccc(C)nc12 ZINC001164126984 806898363 /nfs/dbraw/zinc/89/83/63/806898363.db2.gz MRYCWOIVPPMVBC-UHFFFAOYSA-N 1 0 287.407 3.115 20 10 CGCDRO COc1cccc(C[N@H+](C)[C@@H]2CC[C@H](SC)C2)c1O ZINC001116444861 802351016 /nfs/dbraw/zinc/35/10/16/802351016.db2.gz BQQRBINQYHGDIM-OLZOCXBDSA-N 1 0 281.421 3.117 20 10 CGCDRO C/C=C/C[C@H](CO)[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC001116629675 802388272 /nfs/dbraw/zinc/38/82/72/802388272.db2.gz PKKQEATXBWPHCU-TUCADOHPSA-N 1 0 275.392 3.166 20 10 CGCDRO COc1cc(C)cc(C[N@H+](C)[C@@H]2CC[C@@H](SC)C2)c1O ZINC001119496080 802672106 /nfs/dbraw/zinc/67/21/06/802672106.db2.gz HAAOZMBFZINISQ-ZIAGYGMSSA-N 1 0 295.448 3.425 20 10 CGCDRO Cc1nnsc1[C@@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC001119743556 802696466 /nfs/dbraw/zinc/69/64/66/802696466.db2.gz LSLMCFJOVNBWTI-WDEREUQCSA-N 1 0 290.436 3.324 20 10 CGCDRO Cc1nnsc1[C@@H](C)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC001119743553 802696606 /nfs/dbraw/zinc/69/66/06/802696606.db2.gz LSLMCFJOVNBWTI-GHMZBOCLSA-N 1 0 290.436 3.324 20 10 CGCDRO Nc1ccc(C[NH+]2CCC3(CCSCC3)CC2)cc1 ZINC001120269348 802737339 /nfs/dbraw/zinc/73/73/39/802737339.db2.gz QLBABBGSJSKEHU-UHFFFAOYSA-N 1 0 276.449 3.378 20 10 CGCDRO COc1ccc(CCC[N@H+](C)Cc2ccc(N)cc2)cc1 ZINC001120262841 802737427 /nfs/dbraw/zinc/73/74/27/802737427.db2.gz FKPRDTDCODPEPR-UHFFFAOYSA-N 1 0 284.403 3.342 20 10 CGCDRO CCOc1ncc(-c2[nH+]ccc3c2ccn3C)cc1C ZINC001244680534 803491489 /nfs/dbraw/zinc/49/14/89/803491489.db2.gz RAZVQDAHXAMTTP-UHFFFAOYSA-N 1 0 267.332 3.342 20 10 CGCDRO Cc1cc(C[N@@H+]2CC[C@H](O)[C@H](C)C2)c(C)n1-c1ccccc1 ZINC001137854008 803784066 /nfs/dbraw/zinc/78/40/66/803784066.db2.gz DTRODPBFYOXIQD-KUHUBIRLSA-N 1 0 298.430 3.297 20 10 CGCDRO O[C@@H]1CCCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC001138215603 803875022 /nfs/dbraw/zinc/87/50/22/803875022.db2.gz LCHHMMQCWCWJAU-GOSISDBHSA-N 1 0 288.435 3.024 20 10 CGCDRO Cc1c(C[N@H+]2C[C@@H](F)C[C@H]2C)c2ccccc2n1C ZINC001138252317 803880591 /nfs/dbraw/zinc/88/05/91/803880591.db2.gz BVLPICIRQVIHLX-YPMHNXCESA-N 1 0 260.356 3.419 20 10 CGCDRO Cc1c(C[N@@H+]2CCC[C@]23CCOC3)c2ccccc2n1C ZINC001138257968 803884172 /nfs/dbraw/zinc/88/41/72/803884172.db2.gz FUQCBBKDCXJMFI-GOSISDBHSA-N 1 0 284.403 3.242 20 10 CGCDRO Oc1c(C[NH+]2C3CCC2CC3)cc2c3c1CCCN3CCC2 ZINC001138336909 803898162 /nfs/dbraw/zinc/89/81/62/803898162.db2.gz IBFXOZDMZPBBKV-UHFFFAOYSA-N 1 0 298.430 3.218 20 10 CGCDRO CN1CCCc2cc(C[N@H+]3C[C@H]4[C@H](CC4(F)F)C3)ccc21 ZINC001138354393 803901354 /nfs/dbraw/zinc/90/13/54/803901354.db2.gz HZBQNNXRZYMALU-CABCVRRESA-N 1 0 292.373 3.156 20 10 CGCDRO CCN(CC)c1ccc(CN2CC[C@@H](F)C2)c(OC)c1 ZINC001138386543 803913644 /nfs/dbraw/zinc/91/36/44/803913644.db2.gz QNHSDLFMFPRCRC-CQSZACIVSA-N 1 0 280.387 3.085 20 10 CGCDRO Cc1cc(C[N@H+]2CC[C@H](C)[C@@](C)(O)CC2)ccc1N(C)C ZINC001139669791 804247292 /nfs/dbraw/zinc/24/72/92/804247292.db2.gz OAEDJQNGRGPVRW-YJBOKZPZSA-N 1 0 290.451 3.044 20 10 CGCDRO Cc1cc(C[NH+]2C[C@H]3CCC[C@@H]3C2)ccc1N(C)C ZINC001139669960 804248596 /nfs/dbraw/zinc/24/85/96/804248596.db2.gz RMSUKVPAAXYRBR-HZPDHXFCSA-N 1 0 258.409 3.293 20 10 CGCDRO CC[N@H+](Cc1ccc(C)cn1)Cc1ccccc1O ZINC001139842458 804297920 /nfs/dbraw/zinc/29/79/20/804297920.db2.gz HJGGSWOCQBOUIP-UHFFFAOYSA-N 1 0 256.349 3.118 20 10 CGCDRO Oc1cccc(Br)c1C[N@@H+]1C[C@H]2CC[C@@H]1C2 ZINC001140101610 804376516 /nfs/dbraw/zinc/37/65/16/804376516.db2.gz YZHKUBFKZHPXEZ-VHSXEESVSA-N 1 0 282.181 3.139 20 10 CGCDRO Oc1cccc(Br)c1C[NH+]1CC2(CCC2)C1 ZINC001140100213 804376839 /nfs/dbraw/zinc/37/68/39/804376839.db2.gz GQZMNGCKCXXAAK-UHFFFAOYSA-N 1 0 282.181 3.141 20 10 CGCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)c1O ZINC001140181498 804396201 /nfs/dbraw/zinc/39/62/01/804396201.db2.gz CFIPBYAYJRJASU-CQSZACIVSA-N 1 0 267.319 3.240 20 10 CGCDRO Oc1cccc(Cl)c1C[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC001140344962 804420045 /nfs/dbraw/zinc/42/00/45/804420045.db2.gz OHGNJKVINADKMD-CYBMUJFWSA-N 1 0 288.778 3.430 20 10 CGCDRO COC(C)(C)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1O ZINC001140466266 804443093 /nfs/dbraw/zinc/44/30/93/804443093.db2.gz DLMXASVCYVCOSD-CQSZACIVSA-N 1 0 283.799 3.435 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](F)C(F)(F)CC2)c1 ZINC001140617331 804476388 /nfs/dbraw/zinc/47/63/88/804476388.db2.gz NMILHLLKIANWPR-CYBMUJFWSA-N 1 0 273.298 3.270 20 10 CGCDRO CCCCC[N@H+](C)Cc1ccc(N2CCOCC2)cc1F ZINC001140662294 804487538 /nfs/dbraw/zinc/48/75/38/804487538.db2.gz MXSUAOVPYNIHRG-UHFFFAOYSA-N 1 0 294.414 3.284 20 10 CGCDRO Cc1c(O)ccc(C[NH+]2CCC3(CC(F)C3)CC2)c1O ZINC001140744122 804502379 /nfs/dbraw/zinc/50/23/79/804502379.db2.gz MSPVJXXWEWKWEA-UHFFFAOYSA-N 1 0 279.355 3.120 20 10 CGCDRO C[N@@H+]1CCC[C@H]1c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256956855 807014919 /nfs/dbraw/zinc/01/49/19/807014919.db2.gz ANDUWMFTQFSXQH-HNNXBMFYSA-N 1 0 294.358 3.294 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@]3(CCO3)C2)c(Cl)c1 ZINC001140926046 804550823 /nfs/dbraw/zinc/55/08/23/804550823.db2.gz YGOBXGFANQRLCM-INIZCTEOSA-N 1 0 294.826 3.161 20 10 CGCDRO COCC[N@H+](Cc1ccc(N(C)C)cc1Cl)C(C)C ZINC001140923558 804551008 /nfs/dbraw/zinc/55/10/08/804551008.db2.gz DIHBTPSNJXKREB-UHFFFAOYSA-N 1 0 284.831 3.263 20 10 CGCDRO CCCCC[NH+]1CCN(Cc2ccc(C)cc2O)CC1 ZINC001140949569 804555670 /nfs/dbraw/zinc/55/56/70/804555670.db2.gz FBAAYZMVWXQHKJ-UHFFFAOYSA-N 1 0 276.424 3.008 20 10 CGCDRO Cc1ccc(C[NH+]2CCc3ccccc3CC2)c(O)c1 ZINC001140949737 804556101 /nfs/dbraw/zinc/55/61/01/804556101.db2.gz KGEMDYMWNJFJND-UHFFFAOYSA-N 1 0 267.372 3.301 20 10 CGCDRO CCC[N@H+](Cc1ccc(C)cc1O)C1CCOCC1 ZINC001140957619 804558281 /nfs/dbraw/zinc/55/82/81/804558281.db2.gz FKQXGXBNFGASBE-UHFFFAOYSA-N 1 0 263.381 3.092 20 10 CGCDRO CC[N@H+](CCN1CCCCC1)Cc1ccc(C)cc1O ZINC001140950746 804559000 /nfs/dbraw/zinc/55/90/00/804559000.db2.gz GOKDBUBTQFNARH-UHFFFAOYSA-N 1 0 276.424 3.008 20 10 CGCDRO CC[C@@H]1CCC[N@H+](Cc2c(O)cc(OC)cc2OC)C1 ZINC001141029480 804574521 /nfs/dbraw/zinc/57/45/21/804574521.db2.gz UBKBNXQIJDSPST-GFCCVEGCSA-N 1 0 279.380 3.031 20 10 CGCDRO Oc1ccc(O)c(C[N@@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)c1 ZINC001141161299 804601165 /nfs/dbraw/zinc/60/11/65/804601165.db2.gz CSFMVRHMCDXLMH-BETUJISGSA-N 1 0 281.355 3.185 20 10 CGCDRO [O-]c1cc(F)c(F)cc1C[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC001142524786 804731565 /nfs/dbraw/zinc/73/15/65/804731565.db2.gz KOMGGMXZNQUYEL-YGRLFVJLSA-N 1 0 267.319 3.435 20 10 CGCDRO CC[N@H+](Cc1cccnc1)Cc1cc(F)c(F)cc1[O-] ZINC001142524834 804732192 /nfs/dbraw/zinc/73/21/92/804732192.db2.gz MNEMJJWYCHZMAO-UHFFFAOYSA-N 1 0 278.302 3.088 20 10 CGCDRO CC(C)(C)c1cccc(C[N@@H+]2CC[C@]23CCOC3)c1O ZINC001143117050 804805158 /nfs/dbraw/zinc/80/51/58/804805158.db2.gz QRUUKKXQJMJBII-QGZVFWFLSA-N 1 0 275.392 3.055 20 10 CGCDRO Oc1cc(O)c(C[N@@H+]2CC[C@@H](C3CCCCC3)C2)c(O)c1 ZINC001144514572 804997624 /nfs/dbraw/zinc/99/76/24/804997624.db2.gz LAACBFQRMWTTPA-CYBMUJFWSA-N 1 0 291.391 3.206 20 10 CGCDRO C[N@H+](Cc1ccccc1Cl)Cc1c(O)cc(O)cc1O ZINC001144508853 804997790 /nfs/dbraw/zinc/99/77/90/804997790.db2.gz AUUIJDHLKGEZMW-UHFFFAOYSA-N 1 0 293.750 3.089 20 10 CGCDRO Cc1ccc([C@H]2CCC[N@@H+]2Cc2c(O)cc(O)cc2O)cc1 ZINC001144509017 804997944 /nfs/dbraw/zinc/99/79/44/804997944.db2.gz HRRJQJIVSFIWND-MRXNPFEDSA-N 1 0 299.370 3.449 20 10 CGCDRO CC[NH+](CC)Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001249224309 805114717 /nfs/dbraw/zinc/11/47/17/805114717.db2.gz XFUIRCBOSRUIIF-UHFFFAOYSA-N 1 0 261.365 3.418 20 10 CGCDRO Cc1cc(C[N@H+]2CC[C@@H](C)C2)c(O)cc1Br ZINC001250120931 805428172 /nfs/dbraw/zinc/42/81/72/805428172.db2.gz VIVBAZZRNLQNGH-SECBINFHSA-N 1 0 284.197 3.305 20 10 CGCDRO COc1ccc2c(c1)C[C@H]([NH2+]Cc1ccc(OC)c(C)c1)C2 ZINC001168244083 807363931 /nfs/dbraw/zinc/36/39/31/807363931.db2.gz LZDFORMGKBXLOY-QGZVFWFLSA-N 1 0 297.398 3.269 20 10 CGCDRO COc1ccc2c(c1)C[C@@H]([N@H+](C)Cc1ccccc1O)C2 ZINC001168285113 807373059 /nfs/dbraw/zinc/37/30/59/807373059.db2.gz ZUOSJCYVWFQFTB-INIZCTEOSA-N 1 0 283.371 3.000 20 10 CGCDRO CCOC(=O)CC[C@@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC001258480637 807475358 /nfs/dbraw/zinc/47/53/58/807475358.db2.gz FERVSWUOWRJTLM-KGLIPLIRSA-N 1 0 292.423 3.135 20 10 CGCDRO CC(C)C1CCC([NH2+]CCc2cc(O)c(O)cc2O)CC1 ZINC001258799179 807620110 /nfs/dbraw/zinc/62/01/10/807620110.db2.gz KYUWWHUFAKCVOP-UHFFFAOYSA-N 1 0 293.407 3.150 20 10 CGCDRO CC(C)CC[C@@H](CO)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001261790025 807787636 /nfs/dbraw/zinc/78/76/36/807787636.db2.gz YFESXYHZZBMCMG-KRWDZBQOSA-N 1 0 290.451 3.174 20 10 CGCDRO Cc1cccc(C[NH2+][C@H]2CCc3c(F)cccc3C2)c1O ZINC001171412630 808050064 /nfs/dbraw/zinc/05/00/64/808050064.db2.gz YDQQSZFKQVPUIV-HNNXBMFYSA-N 1 0 285.362 3.487 20 10 CGCDRO Cc1cccc(C[NH2+][C@H]2Cc3cccc(F)c3C2)c1O ZINC001171782804 808139077 /nfs/dbraw/zinc/13/90/77/808139077.db2.gz GEVYDYBIKSHJQN-AWEZNQCLSA-N 1 0 271.335 3.097 20 10 CGCDRO CC[C@@H]1CC[C@@H]([NH+]2CCN(c3ccc(OC)cc3)CC2)C1 ZINC001173273646 808577650 /nfs/dbraw/zinc/57/76/50/808577650.db2.gz NUYZFONVEUNUSI-NVXWUHKLSA-N 1 0 288.435 3.396 20 10 CGCDRO COc1ccc(N2CCC3(CCC[N@H+](C)C3)CC2)c(C)c1 ZINC001277019031 809053885 /nfs/dbraw/zinc/05/38/85/809053885.db2.gz SXIJHPRZBZNUKW-UHFFFAOYSA-N 1 0 288.435 3.316 20 10 CGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@@H](C3CC3)C2)cc1 ZINC001180082802 809971864 /nfs/dbraw/zinc/97/18/64/809971864.db2.gz TVEXINRVLRZPLE-CWIOURORSA-N 1 0 270.420 3.498 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CC[C@H](c3ccco3)C2)c(O)c1 ZINC001180267105 809987456 /nfs/dbraw/zinc/98/74/56/809987456.db2.gz OGMMWDWLCGCOHS-ZDUSSCGKSA-N 1 0 287.359 3.292 20 10 CGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CC[C@H](O)C(C)(C)C2)c1 ZINC001180963000 810029782 /nfs/dbraw/zinc/02/97/82/810029782.db2.gz UDXCIMBSKSSDCW-INIZCTEOSA-N 1 0 277.408 3.108 20 10 CGCDRO CCN(CCC[NH+]1CCCCC1)c1ccc(OC)cc1 ZINC001191837335 810749773 /nfs/dbraw/zinc/74/97/73/810749773.db2.gz CLZKJBRDLDTLPK-UHFFFAOYSA-N 1 0 276.424 3.398 20 10 CGCDRO CCOc1ccc(N2CC[NH+](C[C@H](C)CC)CC2)cc1 ZINC001201517109 811880891 /nfs/dbraw/zinc/88/08/91/811880891.db2.gz LNTKHFVEBPIZRQ-OAHLLOKOSA-N 1 0 276.424 3.253 20 10 CGCDRO CO[C@H](C[NH2+]Cc1ccc2c(c1)CCCO2)CC(C)C ZINC001202867983 812189814 /nfs/dbraw/zinc/18/98/14/812189814.db2.gz CESCAFLRJLVBDL-INIZCTEOSA-N 1 0 277.408 3.162 20 10 CGCDRO CC(=O)c1ccc2c(c1)C[N@@H+](Cc1ccccc1O)CC2 ZINC001203558630 812393018 /nfs/dbraw/zinc/39/30/18/812393018.db2.gz QVNIAKRKVAJGCQ-UHFFFAOYSA-N 1 0 281.355 3.153 20 10 CGCDRO C[N@H+](CCc1cccnc1)Cc1cc(Cl)ccc1O ZINC001203664175 812422063 /nfs/dbraw/zinc/42/20/63/812422063.db2.gz PRYYVWPRPZRHCH-UHFFFAOYSA-N 1 0 276.767 3.115 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@@H](COCC2CC2)C1 ZINC001203664432 812422474 /nfs/dbraw/zinc/42/24/74/812422474.db2.gz FEIOKXILRQLAME-CYBMUJFWSA-N 1 0 295.810 3.294 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H]2C(C)=O)cc1 ZINC001203943429 812498702 /nfs/dbraw/zinc/49/87/02/812498702.db2.gz AVUBNCALTRLFPI-KRWDZBQOSA-N 1 0 274.408 3.086 20 10 CGCDRO COc1ccc(C[NH2+]CC(C)(C)C2=CCOCC2)cc1C ZINC001204063939 812538609 /nfs/dbraw/zinc/53/86/09/812538609.db2.gz ONHITOGMRYNDOC-UHFFFAOYSA-N 1 0 289.419 3.466 20 10 CGCDRO COc1cccc([C@H]2CCC[N@@H+]2Cc2ccc(O)cc2O)c1 ZINC001204278874 812594643 /nfs/dbraw/zinc/59/46/43/812594643.db2.gz LHAMWPRHCDZHFJ-QGZVFWFLSA-N 1 0 299.370 3.444 20 10 CGCDRO c1cc(N2CCCC2)ccc1C[N@@H+]1CCCC12CC2 ZINC001204319736 812611534 /nfs/dbraw/zinc/61/15/34/812611534.db2.gz GITJDYXQBMHTHO-UHFFFAOYSA-N 1 0 256.393 3.415 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)cc1Cl ZINC001204615627 812691574 /nfs/dbraw/zinc/69/15/74/812691574.db2.gz KLOJWWXFVUOIJD-TXEJJXNPSA-N 1 0 265.784 3.442 20 10 CGCDRO CO[C@H]1CCC[N@H+](Cc2cc(C(C)C)ccc2O)C1 ZINC001204749969 812725013 /nfs/dbraw/zinc/72/50/13/812725013.db2.gz QJALWJSSZIXVFS-HNNXBMFYSA-N 1 0 263.381 3.126 20 10 CGCDRO CC(C)(C)c1cc(O)c(CN2CC[C@@](C)([NH3+])C2)cc1Cl ZINC001204810082 812742770 /nfs/dbraw/zinc/74/27/70/812742770.db2.gz MUOILWNDGMCTJG-MRXNPFEDSA-N 1 0 296.842 3.266 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)c1O ZINC001204892081 812766734 /nfs/dbraw/zinc/76/67/34/812766734.db2.gz UVQSMCLMMBEVAP-ZFWWWQNUSA-N 1 0 275.392 3.474 20 10 CGCDRO [NH3+][C@@H]1CCCN(Cc2cc(Cl)c(Cl)cc2O)CC1 ZINC001205123924 812875904 /nfs/dbraw/zinc/87/59/04/812875904.db2.gz HIQLGNOKYONSJS-SNVBAGLBSA-N 1 0 289.206 3.012 20 10 CGCDRO Cc1cccc2c1CC[N@H+](Cc1ccc(N)cc1)C2 ZINC001205164991 812894781 /nfs/dbraw/zinc/89/47/81/812894781.db2.gz ZNLBNAVLHONBQP-UHFFFAOYSA-N 1 0 252.361 3.136 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+][C@H]2CCC[C@@H]2CCO)c1 ZINC001205492762 812990820 /nfs/dbraw/zinc/99/08/20/812990820.db2.gz NFAAUPNOACBOOX-CJNGLKHVSA-N 1 0 277.408 3.156 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+][C@@H]2CCC[C@H]2CCO)c1 ZINC001205492764 812991349 /nfs/dbraw/zinc/99/13/49/812991349.db2.gz NFAAUPNOACBOOX-XJKSGUPXSA-N 1 0 277.408 3.156 20 10 CGCDRO CCCN(C[C@@](C)(CC)OC)c1ccc(C[NH3+])cc1 ZINC001205656543 813044296 /nfs/dbraw/zinc/04/42/96/813044296.db2.gz PLVKNLHOQCAGAO-MRXNPFEDSA-N 1 0 264.413 3.177 20 10 CGCDRO C[C@H]1CC[C@H](CN)[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC001205829736 813099987 /nfs/dbraw/zinc/09/99/87/813099987.db2.gz PNVXKOQDLMELRE-DZGCQCFKSA-N 1 0 284.403 3.105 20 10 CGCDRO CC(C)c1ccc(O)c(C[N@H+](C)[C@H]2CN3CCC2CC3)c1 ZINC001207252698 813521632 /nfs/dbraw/zinc/52/16/32/813521632.db2.gz RSOYQQISXVWLKH-KRWDZBQOSA-N 1 0 288.435 3.042 20 10 CGCDRO C[C@@H]1CC(C[N@H+](C)Cc2ccccc2O)C[C@@H](C)O1 ZINC001209397031 814013984 /nfs/dbraw/zinc/01/39/84/814013984.db2.gz IMZVRYCOTUHMEH-CHWSQXEVSA-N 1 0 263.381 3.028 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CC[C@@](C)(O)C2)cc1 ZINC001209516941 814071470 /nfs/dbraw/zinc/07/14/70/814071470.db2.gz ULCDNFASCYTUAY-GOSISDBHSA-N 1 0 284.403 3.051 20 10 CGCDRO C=C(c1ccccc1)c1ccc(N2CC[NH2+]CC2)cc1 ZINC001242893159 823165721 /nfs/dbraw/zinc/16/57/21/823165721.db2.gz ODYJTJSKTBNXDG-UHFFFAOYSA-N 1 0 264.372 3.158 20 10 CGCDRO C[C@@H]1CCC[C@@H](Oc2ccc(N3CC[NH2+]CC3)cc2)[C@H]1C ZINC001218353629 816175011 /nfs/dbraw/zinc/17/50/11/816175011.db2.gz JHYUFFSNYSTGGU-RVKKMQEKSA-N 1 0 288.435 3.300 20 10 CGCDRO Cc1cc(O)c(CN2CCC[C@@]3(CCC[NH2+]3)C2)cc1Cl ZINC001222353733 816417882 /nfs/dbraw/zinc/41/78/82/816417882.db2.gz GJZLQWXFXHMOHX-INIZCTEOSA-N 1 0 294.826 3.072 20 10 CGCDRO C[N@@H+]1CC[C@@H](OC2=CC(=O)C=CC2=NNc2ccccn2)C1 ZINC001227487795 817660135 /nfs/dbraw/zinc/66/01/35/817660135.db2.gz ZPSDZEWOTDVODV-NIVDNSEKSA-N 1 0 298.346 3.286 20 10 CGCDRO Oc1ccc2ccccc2c1CN1Cc2cccnc2C1 ZINC001231587878 818130584 /nfs/dbraw/zinc/13/05/84/818130584.db2.gz IFZXAOVDDDZGIF-UHFFFAOYSA-N 1 0 276.339 3.456 20 10 CGCDRO CCCOC1CC[NH+](Cc2cccc(C)c2O)CC1 ZINC001231592378 818131336 /nfs/dbraw/zinc/13/13/36/818131336.db2.gz KRFLZRYYRQAESC-UHFFFAOYSA-N 1 0 263.381 3.092 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCOC[C@@H]2C2CCCCC2)c1O ZINC001231594415 818131529 /nfs/dbraw/zinc/13/15/29/818131529.db2.gz GPRGVWHGEATIMO-QGZVFWFLSA-N 1 0 289.419 3.482 20 10 CGCDRO Cc1nc2c(s1)C[N@H+](Cc1cccc(C)c1O)CC2 ZINC001231593184 818132051 /nfs/dbraw/zinc/13/20/51/818132051.db2.gz QIYYBNGTDYKKFD-UHFFFAOYSA-N 1 0 274.389 3.024 20 10 CGCDRO CCC[N@H+](Cc1cc(OC)c(O)cc1O)[C@H](C)CC ZINC001231634687 818143669 /nfs/dbraw/zinc/14/36/69/818143669.db2.gz QSVMILNBDNZCTF-LLVKDONJSA-N 1 0 267.369 3.117 20 10 CGCDRO CCc1ccc(C[N@H+](C)Cc2ccc(N(C)C)cc2)nc1 ZINC001231642477 818145093 /nfs/dbraw/zinc/14/50/93/818145093.db2.gz BSNKPBXZLCKTLI-UHFFFAOYSA-N 1 0 283.419 3.342 20 10 CGCDRO Cc1cc(C)c(C[N@@H+]2CCC[C@@](C)(F)C2)c(O)c1 ZINC001231841630 818186217 /nfs/dbraw/zinc/18/62/17/818186217.db2.gz CHCSRWNEYPYQJW-OAHLLOKOSA-N 1 0 251.345 3.333 20 10 CGCDRO Cc1cc(C)c(C[NH+]2CCC3(CCOC3)CC2)c(O)c1 ZINC001231842989 818186487 /nfs/dbraw/zinc/18/64/87/818186487.db2.gz RIYAIPPSNDACJK-UHFFFAOYSA-N 1 0 275.392 3.012 20 10 CGCDRO Cc1cc(C)c(C[N@@H+]2CC[C@H]3CCCO[C@H]3C2)c(O)c1 ZINC001231844510 818187753 /nfs/dbraw/zinc/18/77/53/818187753.db2.gz LRVPXHJHKBJIRF-PBHICJAKSA-N 1 0 275.392 3.010 20 10 CGCDRO Cc1cc(C)c(C[N@H+](C)C[C@H]2Cc3ccccc3O2)c(O)c1 ZINC001231851059 818188772 /nfs/dbraw/zinc/18/87/72/818188772.db2.gz YSVHTKUYHNBGHC-MRXNPFEDSA-N 1 0 297.398 3.445 20 10 CGCDRO CC[N@H+](Cc1ccncc1)Cc1ccc(N(C)C)cc1OC ZINC001231849247 818188883 /nfs/dbraw/zinc/18/88/83/818188883.db2.gz QCGFVVIYXPHDOU-UHFFFAOYSA-N 1 0 299.418 3.178 20 10 CGCDRO Cc1ccnn1C1CC[NH+](Cc2c(C)cc(C)cc2O)CC1 ZINC001231850471 818189496 /nfs/dbraw/zinc/18/94/96/818189496.db2.gz QFUHMXYYJUUHMH-UHFFFAOYSA-N 1 0 299.418 3.351 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H]3O[C@@H](C)C[C@H]3C2)cc1Cl ZINC001231867521 818191715 /nfs/dbraw/zinc/19/17/15/818191715.db2.gz NWHLCSAHUUFEEL-DETPVDSQSA-N 1 0 295.810 3.353 20 10 CGCDRO C[C@@H]1CC[C@H](CO)C[N@@H+]1Cc1ccc2ccccc2c1O ZINC001231879235 818198829 /nfs/dbraw/zinc/19/88/29/818198829.db2.gz AYEWPZQJWMSPBO-KGLIPLIRSA-N 1 0 285.387 3.138 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2O)CC[C@@H]1O ZINC001231879372 818199727 /nfs/dbraw/zinc/19/97/27/818199727.db2.gz CYPPANYXRFKGNU-DYVFJYSZSA-N 1 0 285.387 3.138 20 10 CGCDRO CCO[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC001231883721 818201985 /nfs/dbraw/zinc/20/19/85/818201985.db2.gz TUUBIDLFMQNJHA-OAHLLOKOSA-N 1 0 271.360 3.156 20 10 CGCDRO CN(C1CC1)[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC001231882216 818202194 /nfs/dbraw/zinc/20/21/94/818202194.db2.gz FWPFZYOMFYFAJF-QGZVFWFLSA-N 1 0 296.414 3.214 20 10 CGCDRO C[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232196668 818274715 /nfs/dbraw/zinc/27/47/15/818274715.db2.gz DWELPRZWTZBCHJ-CYBMUJFWSA-N 1 0 294.826 3.161 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CCC(C)(C)C2)cc1Cl ZINC001232264635 818297403 /nfs/dbraw/zinc/29/74/03/818297403.db2.gz LQPMDYFJPYNQKS-UHFFFAOYSA-N 1 0 269.772 3.286 20 10 CGCDRO CC[N@H+](Cc1c2ccccc2n(C)c1C(=O)OC)C(C)C ZINC001232401977 818340265 /nfs/dbraw/zinc/34/02/65/818340265.db2.gz RKIWWYRHBAGRRU-UHFFFAOYSA-N 1 0 288.391 3.195 20 10 CGCDRO Cc1cccc(F)c1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001232483448 818367270 /nfs/dbraw/zinc/36/72/70/818367270.db2.gz JJRJLTKQBBWISF-UHFFFAOYSA-N 1 0 271.335 3.398 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@](C)(F)C2)c(O)c1 ZINC001232835393 818452484 /nfs/dbraw/zinc/45/24/84/818452484.db2.gz BOWBAYXZVHNUTR-INIZCTEOSA-N 1 0 280.387 3.172 20 10 CGCDRO C[N@H+](Cc1[nH]nc2cc(F)ccc21)Cc1ccccc1O ZINC001233127151 818527397 /nfs/dbraw/zinc/52/73/97/818527397.db2.gz SJXGWERWQJURKA-UHFFFAOYSA-N 1 0 285.322 3.040 20 10 CGCDRO CCOC(=O)c1c(C[NH+](CC)CC)c2ccccc2n1C ZINC001233270346 818561184 /nfs/dbraw/zinc/56/11/84/818561184.db2.gz KMPWCYBBICKBRC-UHFFFAOYSA-N 1 0 288.391 3.197 20 10 CGCDRO C[C@@H]1CN(C)[C@@H](C)C[N@@H+]1Cc1cc(C(C)(C)C)ccc1O ZINC001233284205 818566230 /nfs/dbraw/zinc/56/62/30/818566230.db2.gz MEXXRGWREGIVHI-UONOGXRCSA-N 1 0 290.451 3.214 20 10 CGCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@@H]2c2ccccc2)cc1O ZINC001233485187 818625175 /nfs/dbraw/zinc/62/51/75/818625175.db2.gz MDXMJGHTJCHGEZ-CQSZACIVSA-N 1 0 285.343 3.141 20 10 CGCDRO Cn1c(-c2cccc3c2CC[NH2+]C3)cc2ccccc21 ZINC001243353806 823363204 /nfs/dbraw/zinc/36/32/04/823363204.db2.gz ZWRURXYKRMDLGA-UHFFFAOYSA-N 1 0 262.356 3.491 20 10 CGCDRO CC[NH+]1CCN(c2ccc(O[C@@H]3CCC[C@@H]3C)cc2)CC1 ZINC001234657182 818906740 /nfs/dbraw/zinc/90/67/40/818906740.db2.gz CEJQUHVXXXBZIF-MAUKXSAKSA-N 1 0 288.435 3.396 20 10 CGCDRO C[C@]1(CO)CC[N@H+](Cc2cccc(-c3ccccc3)c2O)C1 ZINC001234985982 818970094 /nfs/dbraw/zinc/97/00/94/818970094.db2.gz AIRMZNAUXGBLIM-IBGZPJMESA-N 1 0 297.398 3.264 20 10 CGCDRO Cc1cc(CN2CC[C@@]3(CC[NH2+]3)C2)c(C)n1-c1ccccc1 ZINC001235065623 818993639 /nfs/dbraw/zinc/99/36/39/818993639.db2.gz MVZSWMUYKHIOFH-IBGZPJMESA-N 1 0 295.430 3.032 20 10 CGCDRO Cc1cc(CN2CC[C@H]3C[C@@]3([NH3+])C2)c(C)n1-c1ccccc1 ZINC001235163637 819019307 /nfs/dbraw/zinc/01/93/07/819019307.db2.gz YZSIUSDBJCPPSD-PKOBYXMFSA-N 1 0 295.430 3.017 20 10 CGCDRO COC1CC[NH+](Cc2ccc(C(C)(C)C)cc2O)CC1 ZINC001235673992 819134725 /nfs/dbraw/zinc/13/47/25/819134725.db2.gz CGAXPIZSQRQCFI-UHFFFAOYSA-N 1 0 277.408 3.301 20 10 CGCDRO C[C@@H]1CC[C@H](CO)C[N@@H+]1Cc1ccc(C(C)(C)C)cc1O ZINC001235676044 819136162 /nfs/dbraw/zinc/13/61/62/819136162.db2.gz OEWWALBZVOJAFP-KGLIPLIRSA-N 1 0 291.435 3.283 20 10 CGCDRO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1ccc(C(C)(C)C)cc1O ZINC001235676857 819137530 /nfs/dbraw/zinc/13/75/30/819137530.db2.gz WRHMGDFFBHRULA-IUODEOHRSA-N 1 0 277.408 3.035 20 10 CGCDRO CCN(Cc1c2ccccc2n(C)c1C)[C@@H]1CCC[NH2+]C1 ZINC001236007359 819270444 /nfs/dbraw/zinc/27/04/44/819270444.db2.gz YTVHEXBIHUQMDH-OAHLLOKOSA-N 1 0 285.435 3.061 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(CN2CCC[NH2+][C@@H](C)C2)cc1 ZINC001236094690 819311654 /nfs/dbraw/zinc/31/16/54/819311654.db2.gz HTEINDDVHVFQOI-HNNXBMFYSA-N 1 0 297.446 3.278 20 10 CGCDRO Cc1cc(O)c(CN(C)[C@H]2CCCC[C@H]2[NH3+])cc1Cl ZINC001236214701 819377965 /nfs/dbraw/zinc/37/79/65/819377965.db2.gz DTZITHLSZAVRJE-KGLIPLIRSA-N 1 0 282.815 3.056 20 10 CGCDRO Cc1cc(O)c(CN(C2CC2)[C@@H]2CCC[NH2+]C2)cc1Cl ZINC001236239301 819398912 /nfs/dbraw/zinc/39/89/12/819398912.db2.gz GLYFNVDRSFGBFC-CQSZACIVSA-N 1 0 294.826 3.070 20 10 CGCDRO C[C@@H]1[C@@H]([NH3+])CCCN1Cc1c(O)ccc(Cl)c1Cl ZINC001236417461 819463598 /nfs/dbraw/zinc/46/35/98/819463598.db2.gz DRTAZUJWDKPWGP-KCJUWKMLSA-N 1 0 289.206 3.011 20 10 CGCDRO CCN(CC)c1ccc(CN(C(C)C)[C@@H]2CC[NH2+]C2)cc1 ZINC001236528890 819520201 /nfs/dbraw/zinc/52/02/01/819520201.db2.gz LEYXBSUUULNDEB-GOSISDBHSA-N 1 0 289.467 3.105 20 10 CGCDRO COc1cc(O)c(C[NH+]2CC3CCC(CC3)C2)cc1OC ZINC001236758317 819590084 /nfs/dbraw/zinc/59/00/84/819590084.db2.gz YPBHKQXBCFVFCQ-UHFFFAOYSA-N 1 0 291.391 3.031 20 10 CGCDRO CCc1ccc(C[N@@H+]2CCc3cc(CO)ccc3C2)c(O)c1 ZINC001236783266 819593263 /nfs/dbraw/zinc/59/32/63/819593263.db2.gz JHLNXJMQXVOKAU-UHFFFAOYSA-N 1 0 297.398 3.005 20 10 CGCDRO CCc1ccc(C[N@@H+]2CCC(F)(F)[C@H](C)C2)c(O)c1 ZINC001236783847 819594125 /nfs/dbraw/zinc/59/41/25/819594125.db2.gz OTQKGGSMMKZUNO-LLVKDONJSA-N 1 0 269.335 3.432 20 10 CGCDRO CCc1ccc(C[NH+]2CC(C)(C)OC(C)(C)C2)c(O)c1 ZINC001236791172 819594516 /nfs/dbraw/zinc/59/45/16/819594516.db2.gz FCVFTEDVNNAFSO-UHFFFAOYSA-N 1 0 277.408 3.344 20 10 CGCDRO CCc1ccc(C[N@@H+]2CCN(C)CC23CCCC3)c(O)c1 ZINC001236789563 819594929 /nfs/dbraw/zinc/59/49/29/819594929.db2.gz YEKKFYOQWQVSAB-UHFFFAOYSA-N 1 0 288.435 3.015 20 10 CGCDRO CCc1ccc(C[N@H+](CCO)Cc2cccs2)c(O)c1 ZINC001236786641 819595917 /nfs/dbraw/zinc/59/59/17/819595917.db2.gz FYKVXAWWLDVRBU-UHFFFAOYSA-N 1 0 291.416 3.011 20 10 CGCDRO CCc1ccc(C[N@@H+]2CC[C@@H](c3cccnc3)C2)c(O)c1 ZINC001236794254 819597879 /nfs/dbraw/zinc/59/78/79/819597879.db2.gz KDHHHQUVIODNSX-MRXNPFEDSA-N 1 0 282.387 3.339 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CCC[C@](C)(F)C2)c(O)c1 ZINC001236806899 819603103 /nfs/dbraw/zinc/60/31/03/819603103.db2.gz CGNUJHCEYZACOF-HNNXBMFYSA-N 1 0 267.344 3.033 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CCC[C@@H]2c2ccncc2)c(O)c1 ZINC001236812857 819605068 /nfs/dbraw/zinc/60/50/68/819605068.db2.gz FWKASOZNESYYGU-QGZVFWFLSA-N 1 0 298.386 3.441 20 10 CGCDRO Oc1cc2ccccc2cc1C[N@@H+]1CC[C@H](N2CCCC2)C1 ZINC001236835266 819614809 /nfs/dbraw/zinc/61/48/09/819614809.db2.gz FXQWDLANUZJGIT-SFHVURJKSA-N 1 0 296.414 3.216 20 10 CGCDRO C[N@H+](Cc1cc2ccccc2cc1O)CC1(C)COC1 ZINC001236839078 819616806 /nfs/dbraw/zinc/61/68/06/819616806.db2.gz DKTWCIKAMZFMKV-UHFFFAOYSA-N 1 0 271.360 3.014 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2C[C@@H](C)[C@@H](F)C2)c(O)c1 ZINC001237045823 819651093 /nfs/dbraw/zinc/65/10/93/819651093.db2.gz LJCUWACPCMFLPX-RISCZKNCSA-N 1 0 251.345 3.305 20 10 CGCDRO CC(C)c1ccc(C[N@H+]2C[C@H]3[C@H](C2)CCCN3C)c(O)c1 ZINC001237055807 819654087 /nfs/dbraw/zinc/65/40/87/819654087.db2.gz QGJSOIOETATQOQ-RDJZCZTQSA-N 1 0 288.435 3.042 20 10 CGCDRO Oc1ccc(F)c(Cl)c1C[NH+]1CCC(F)CC1 ZINC001237119685 819671953 /nfs/dbraw/zinc/67/19/53/819671953.db2.gz DSFKDHDNBQJCLC-UHFFFAOYSA-N 1 0 261.699 3.119 20 10 CGCDRO Cc1c(CN2CC[C@@H]3[NH2+]CCC[C@H]3C2)c2ccccc2n1C ZINC001237392629 819741856 /nfs/dbraw/zinc/74/18/56/819741856.db2.gz PDKMCJPCPZPZJQ-YJBOKZPZSA-N 1 0 297.446 3.061 20 10 CGCDRO Cc1cccc(O)c1C[N@H+](Cc1ccco1)C1CC1 ZINC001237491616 819763554 /nfs/dbraw/zinc/76/35/54/819763554.db2.gz KJSCFSCBZZYBAU-UHFFFAOYSA-N 1 0 257.333 3.458 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCOC[C@@H]1C1CCCCC1 ZINC001237490814 819764238 /nfs/dbraw/zinc/76/42/38/819764238.db2.gz BNGXILFFRKMKBS-QGZVFWFLSA-N 1 0 289.419 3.482 20 10 CGCDRO COCC[N@H+](C)Cc1cc(-c2ccc(F)cc2)ccc1O ZINC001237641354 819795227 /nfs/dbraw/zinc/79/52/27/819795227.db2.gz RZHCABVOARQLLF-UHFFFAOYSA-N 1 0 289.350 3.277 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+]2CCCC[C@](C)(O)C2)c1O ZINC001237681940 819806384 /nfs/dbraw/zinc/80/63/84/819806384.db2.gz UQNAEFKPCAOTPA-HNNXBMFYSA-N 1 0 283.799 3.091 20 10 CGCDRO Cc1cc(Cl)cc(C[NH+]2CC3CC(C3)C2)c1O ZINC001237689227 819808279 /nfs/dbraw/zinc/80/82/79/819808279.db2.gz ODJRNNDLVHHPBQ-UHFFFAOYSA-N 1 0 251.757 3.196 20 10 CGCDRO CCCC[NH+]1CCN(Cc2cc(Cl)cc(C)c2O)CC1 ZINC001237687895 819809475 /nfs/dbraw/zinc/80/94/75/819809475.db2.gz XXLXNQAHEHQSQI-UHFFFAOYSA-N 1 0 296.842 3.272 20 10 CGCDRO C[N@H+](Cc1cccc(-c2cc[nH]n2)c1)Cc1ccccc1O ZINC001238203577 819956460 /nfs/dbraw/zinc/95/64/60/819956460.db2.gz MPMSICRIEZDCMH-UHFFFAOYSA-N 1 0 293.370 3.414 20 10 CGCDRO Cc1cc(N2CCCCC2)ccc1C1=CCC[NH2+]C1 ZINC001240670137 821230850 /nfs/dbraw/zinc/23/08/50/821230850.db2.gz GLZONEBEVKXOCG-UHFFFAOYSA-N 1 0 256.393 3.362 20 10 CGCDRO CN1CCCc2cc(C[NH2+]Cc3cccn3C3CC3)ccc21 ZINC001347783003 936895710 /nfs/dbraw/zinc/89/57/10/936895710.db2.gz XBJPWIRONIOMTO-UHFFFAOYSA-N 1 0 295.430 3.495 20 10 CGCDRO C[C@H]1COc2ccccc2C[N@@H+]1Cc1ccc(N)cc1 ZINC001352790630 937049712 /nfs/dbraw/zinc/04/97/12/937049712.db2.gz SKVYMARRXIAJMD-ZDUSSCGKSA-N 1 0 268.360 3.052 20 10 CGCDRO C[N@H+](CCO)Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000217611982 928158067 /nfs/dbraw/zinc/15/80/67/928158067.db2.gz VMYNVQOEQGVXFZ-UHFFFAOYSA-N 1 0 293.451 3.411 20 10 CGCDRO CC[C@H]1C[C@H](C)C[N@@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000399505272 928808071 /nfs/dbraw/zinc/80/80/71/928808071.db2.gz LWXQZZWLNNMTAT-HZMBPMFUSA-N 1 0 279.355 3.354 20 10 CGCDRO Cc1ncsc1CCC[N@@H+](C)Cc1ccccc1O ZINC001459689099 937496179 /nfs/dbraw/zinc/49/61/79/937496179.db2.gz QRQSWWGSIKGWRO-UHFFFAOYSA-N 1 0 276.405 3.222 20 10 CGCDRO C[NH+]1CCN(c2ccc(CNc3cccc(F)c3)cc2)CC1 ZINC001461070662 937562277 /nfs/dbraw/zinc/56/22/77/937562277.db2.gz WMDBXXCIPTXCSL-UHFFFAOYSA-N 1 0 299.393 3.190 20 10 CGCDRO CCCOc1ccc(C[NH2+]C[C@](C)(O)C2CC2)cc1C ZINC001461183493 937568579 /nfs/dbraw/zinc/56/85/79/937568579.db2.gz SUAOOVFIIORIQT-KRWDZBQOSA-N 1 0 277.408 3.034 20 10 CGCDRO OCC1(C[NH2+]Cc2ccc3c(c2)CCCO3)CCCCC1 ZINC001461267490 937573632 /nfs/dbraw/zinc/57/36/32/937573632.db2.gz KJKIWGONFGXWTO-UHFFFAOYSA-N 1 0 289.419 3.044 20 10 CGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1CCN(C(C)(C)C)C1 ZINC001461637406 937589923 /nfs/dbraw/zinc/58/99/23/937589923.db2.gz ZJFLHYDGXXVICO-OAHLLOKOSA-N 1 0 299.462 3.449 20 10 CGCDRO CC(C)[C@@H]1C[C@H]1[NH2+]Cc1c(O)cccc1Br ZINC001461836533 937600435 /nfs/dbraw/zinc/60/04/35/937600435.db2.gz GDLREJFIFLZUPN-JOYOIKCWSA-N 1 0 284.197 3.289 20 10 CGCDRO COCC[C@H](C)C[NH2+]Cc1cc(C(C)C)ccc1O ZINC001462344900 937633685 /nfs/dbraw/zinc/63/36/85/937633685.db2.gz BNFGJFFGEQZGEP-ZDUSSCGKSA-N 1 0 265.397 3.278 20 10 CGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CCO[C@H](C(F)F)CC2)c1 ZINC001462511153 937646198 /nfs/dbraw/zinc/64/61/98/937646198.db2.gz VTHZHHKLHMEORF-HNNXBMFYSA-N 1 0 299.361 3.372 20 10 CGCDRO CCC[C@@](C)(CO)[NH2+]Cc1c(C)c2ccccc2n1C ZINC001308264731 933085148 /nfs/dbraw/zinc/08/51/48/933085148.db2.gz USSQRUZECCPTTJ-KRWDZBQOSA-N 1 0 274.408 3.127 20 10 CGCDRO C/C=C\C[C@@H](CO)[NH2+]Cc1ccc(OCCC)c(C)c1 ZINC001308380257 933103595 /nfs/dbraw/zinc/10/35/95/933103595.db2.gz HFXOPVVTSZQWFZ-LEXSJLIMSA-N 1 0 277.408 3.201 20 10 CGCDRO C[C@H]([NH2+]Cc1cnn(C)c1C1CC1)c1ccc(N(C)C)cc1 ZINC001308376939 933104072 /nfs/dbraw/zinc/10/40/72/933104072.db2.gz SDZZBZORYCRTEI-ZDUSSCGKSA-N 1 0 298.434 3.214 20 10 CGCDRO c1cc2c(cc1C[NH2+]C1(C3CCC3)CC1)CCCO2 ZINC001308452064 933112568 /nfs/dbraw/zinc/11/25/68/933112568.db2.gz BLTHWEXRVKSUFK-UHFFFAOYSA-N 1 0 257.377 3.434 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2CC[C@@H]3CCC[C@@H]32)c(O)c1 ZINC001308716394 933164485 /nfs/dbraw/zinc/16/44/85/933164485.db2.gz OFVGPFIKGROVDU-CQDKDKBSSA-N 1 0 261.365 3.069 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+][C@@H]2COC[C@@H]2C2CC2)c1 ZINC001308975851 933218565 /nfs/dbraw/zinc/21/85/65/933218565.db2.gz ZFPFEQKERPMIQG-HZPDHXFCSA-N 1 0 275.392 3.030 20 10 CGCDRO CC[C@@]1(CO)CCC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001320677360 934085264 /nfs/dbraw/zinc/08/52/64/934085264.db2.gz SZZNYVPQYSZBMB-SFHVURJKSA-N 1 0 288.435 3.024 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H](C)Cc1cnccn1 ZINC001321022051 934136156 /nfs/dbraw/zinc/13/61/56/934136156.db2.gz AXNOPQRVNIWHKE-IPYPFGDCSA-N 1 0 297.402 3.260 20 10 CGCDRO CC[C@@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)C[C@@H](C)O1 ZINC001323302690 934381292 /nfs/dbraw/zinc/38/12/92/934381292.db2.gz GJVNDQJDARVIAA-CRAIPNDOSA-N 1 0 288.435 3.286 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@H]1CCn2ccnc2C1 ZINC001324228976 934473655 /nfs/dbraw/zinc/47/36/55/934473655.db2.gz YAHUUJUJHPYSFQ-HZSPNIEDSA-N 1 0 297.402 3.050 20 10 CGCDRO CC[C@H](C)C[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC001473609614 937813628 /nfs/dbraw/zinc/81/36/28/937813628.db2.gz FNUGJUAEIRUVGS-AWEZNQCLSA-N 1 0 264.413 3.109 20 10 CGCDRO COc1ccc(N(C)CC[N@H+](C)CCC2CCC2)cc1 ZINC001473609481 937813882 /nfs/dbraw/zinc/81/38/82/937813882.db2.gz CCYBLALHEYEEKA-UHFFFAOYSA-N 1 0 276.424 3.253 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H](C)c1ccn(C)n1 ZINC001326047005 934947241 /nfs/dbraw/zinc/94/72/41/934947241.db2.gz SEKMKTVVWBOSAT-BZPMIXESSA-N 1 0 285.391 3.333 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+][C@H]2CCC[C@@H](F)C2)c1O ZINC001326303924 934968539 /nfs/dbraw/zinc/96/85/39/934968539.db2.gz VMXUXRGDZIDZOE-NEPJUHHUSA-N 1 0 287.762 3.425 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCC[C@@H](F)C2)cc1F ZINC001326325501 934970633 /nfs/dbraw/zinc/97/06/33/934970633.db2.gz RBUBCZQEGKQVHH-CHWSQXEVSA-N 1 0 268.351 3.262 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@H](C)c1ccnn1C ZINC001329308201 935203125 /nfs/dbraw/zinc/20/31/25/935203125.db2.gz ZJVPXAHTEXFHRX-JHJVBQTASA-N 1 0 285.391 3.333 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)cc1F ZINC001330209645 935276823 /nfs/dbraw/zinc/27/68/23/935276823.db2.gz ZNKKEYAYJLFDCX-FRRDWIJNSA-N 1 0 298.352 3.415 20 10 CGCDRO COC1(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)CCC1 ZINC001330576448 935297898 /nfs/dbraw/zinc/29/78/98/935297898.db2.gz AWHUVKMADYYEQD-UHFFFAOYSA-N 1 0 288.435 3.286 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)Cc2nccnc2C)cc1 ZINC001330656678 935309047 /nfs/dbraw/zinc/30/90/47/935309047.db2.gz JAFJQZBKVOSQOF-UHFFFAOYSA-N 1 0 298.434 3.263 20 10 CGCDRO CN(C)c1cc(F)c(C[NH2+]C/C=C/C2CC2)cc1F ZINC001331522211 935388294 /nfs/dbraw/zinc/38/82/94/935388294.db2.gz WVFVRUOPABVVOM-ONEGZZNKSA-N 1 0 266.335 3.087 20 10 CGCDRO OC1(CCC[NH2+]Cc2ccc(N3CCCC3)cc2)CCC1 ZINC001331545084 935390711 /nfs/dbraw/zinc/39/07/11/935390711.db2.gz IDWFAUJBWCZPGN-UHFFFAOYSA-N 1 0 288.435 3.072 20 10 CGCDRO OC[C@@H]1CCCCC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001331963808 935427005 /nfs/dbraw/zinc/42/70/05/935427005.db2.gz IHMPFGBSOOMLOS-SFHVURJKSA-N 1 0 288.435 3.024 20 10 CGCDRO CN(Cc1ccccc1)CC(C)(C)[NH2+]Cc1ccc(N)cc1 ZINC001334754686 936111810 /nfs/dbraw/zinc/11/18/10/936111810.db2.gz REQVOUOSKNUUQG-UHFFFAOYSA-N 1 0 297.446 3.269 20 10 CGCDRO Cc1ccccc1OCC[N@@H+](C)Cc1ccc(N)cc1 ZINC001334754289 936112165 /nfs/dbraw/zinc/11/21/65/936112165.db2.gz OMMINJZHRROQSA-UHFFFAOYSA-N 1 0 270.376 3.088 20 10 CGCDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(N)cc2)cc1C ZINC001334774770 936112995 /nfs/dbraw/zinc/11/29/95/936112995.db2.gz NEECNEMHJMAMAS-ZDUSSCGKSA-N 1 0 270.376 3.437 20 10 CGCDRO COc1ccc([C@@H]2CC[N@H+](Cc3ccc(N)cc3)C2)cc1 ZINC001335284412 936137362 /nfs/dbraw/zinc/13/73/62/936137362.db2.gz BSTIQPQOFGRUGE-MRXNPFEDSA-N 1 0 282.387 3.267 20 10 CGCDRO CC(C)[C@H](C[NH2+]Cc1ccc(N)cc1)c1cccnc1 ZINC001336118367 936176667 /nfs/dbraw/zinc/17/66/67/936176667.db2.gz XXIWXGKTLZXAFA-KRWDZBQOSA-N 1 0 269.392 3.193 20 10 CGCDRO c1[nH]c2ncccc2c1C1=CCN(c2cc[nH+]cc2)CC1 ZINC001336396868 936191594 /nfs/dbraw/zinc/19/15/94/936191594.db2.gz SDNUYPISPZQGAV-UHFFFAOYSA-N 1 0 276.343 3.252 20 10 CGCDRO Cc1ccccc1[C@@H](CO)[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC001473799524 937822200 /nfs/dbraw/zinc/82/22/00/937822200.db2.gz DAUZAJKFKVIPHL-LJQANCHMSA-N 1 0 298.430 3.226 20 10 CGCDRO CC(C)CCOCC[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC001473964181 937832603 /nfs/dbraw/zinc/83/26/03/937832603.db2.gz LTONSJYFMYCJOY-AATRIKPKSA-N 1 0 290.451 3.418 20 10 CGCDRO c1c2cccnc2oc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC001473970263 937833230 /nfs/dbraw/zinc/83/32/30/937833230.db2.gz MMUSFPYUWJIQIW-UHFFFAOYSA-N 1 0 280.327 3.053 20 10 CGCDRO CC[N@H+](Cc1cc(F)c(N(C)C)cc1F)C1CCC1 ZINC001474361144 937853958 /nfs/dbraw/zinc/85/39/58/937853958.db2.gz YTSVTGQTHCYRGY-UHFFFAOYSA-N 1 0 268.351 3.405 20 10 CGCDRO CC(C)c1ccc(O)c(C[N@H+](C)CC2(N(C)C)CCC2)c1 ZINC001474458739 937861141 /nfs/dbraw/zinc/86/11/41/937861141.db2.gz KWJDTTPGRKXFKM-UHFFFAOYSA-N 1 0 290.451 3.432 20 10 CGCDRO CCC[N@H+](Cc1ccccc1O)[C@@H](C(=O)OC)[C@H](C)CC ZINC001559570942 938229868 /nfs/dbraw/zinc/22/98/68/938229868.db2.gz HGEINEUCSMUKGI-CZUORRHYSA-N 1 0 293.407 3.192 20 10 CGCDRO CCC[N@H+](Cc1ccccc1O)[C@@H](C(=O)OC)[C@@H](C)CC ZINC001559570943 938229929 /nfs/dbraw/zinc/22/99/29/938229929.db2.gz HGEINEUCSMUKGI-XJKSGUPXSA-N 1 0 293.407 3.192 20 10 CGCDRO CCC[N@H+](Cc1cccc(N(C)C)n1)Cc1ccccc1O ZINC001559571176 938229968 /nfs/dbraw/zinc/22/99/68/938229968.db2.gz MNKRMHFYEJTDJV-UHFFFAOYSA-N 1 0 299.418 3.265 20 10 CGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1CCC[C@@H]1CCO ZINC001560448823 938259055 /nfs/dbraw/zinc/25/90/55/938259055.db2.gz QSSLXJFVFYYJFV-GDBMZVCRSA-N 1 0 286.419 3.127 20 10 CGCDRO Cc1ccc(C[NH2+][C@H](C(C)C)C2(CO)CCCC2)c(O)c1 ZINC001560873864 938281039 /nfs/dbraw/zinc/28/10/39/938281039.db2.gz DLEOCGKOTRIJSR-QGZVFWFLSA-N 1 0 291.435 3.368 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+][C@H]3C[C@@H]4CCC[C@@H]43)C2)cc1 ZINC001560928652 938284473 /nfs/dbraw/zinc/28/44/73/938284473.db2.gz YVDDXWYOYPPBLP-USJZOSNVSA-N 1 0 286.419 3.052 20 10 CGCDRO CC(C)c1ccc(O)c(C[N@@H+]2C[C@H](O)CC(C)(C)C2)c1 ZINC001560970145 938287090 /nfs/dbraw/zinc/28/70/90/938287090.db2.gz LPVWKAWPEFAQIF-OAHLLOKOSA-N 1 0 277.408 3.108 20 10 CGCDRO COc1cc(C)c(C[NH+]2CCC(CSC)CC2)c(O)c1 ZINC001561031683 938290444 /nfs/dbraw/zinc/29/04/44/938290444.db2.gz YRDMWGRFKYIIRS-UHFFFAOYSA-N 1 0 295.448 3.284 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCc3cc(O)ccc3C2)cc1 ZINC000196271037 957705231 /nfs/dbraw/zinc/70/52/31/957705231.db2.gz IRRXDZWJIDDOKR-UHFFFAOYSA-N 1 0 282.387 3.017 20 10 CGCDRO CCN(C)c1ccccc1C[NH2+]Cc1ccc(N)cc1 ZINC001577657183 962565904 /nfs/dbraw/zinc/56/59/04/962565904.db2.gz AQRYYRJUNKAFKD-UHFFFAOYSA-N 1 0 269.392 3.015 20 10 CGCDRO CCc1cccc(CN2CC[NH2+]C[C@H]2c2ccccc2)c1O ZINC001578266389 962584933 /nfs/dbraw/zinc/58/49/33/962584933.db2.gz HSQHBTYSFIUAEE-SFHVURJKSA-N 1 0 296.414 3.101 20 10 CGCDRO Cc1ccc(O[C@H](C)C[NH2+]Cc2ccc(N)cc2)cc1 ZINC001579723580 962663937 /nfs/dbraw/zinc/66/39/37/962663937.db2.gz PFHMYUUQLUXNDR-CQSZACIVSA-N 1 0 270.376 3.134 20 10 CGCDRO CC[N@H+](Cc1ccncc1)Cc1cc(Cl)ccc1O ZINC000004676948 368555872 /nfs/dbraw/zinc/55/58/72/368555872.db2.gz XPPKLDWATMUHRS-UHFFFAOYSA-N 1 0 276.767 3.463 20 10 CGCDRO COc1ccc(CC[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000019907372 368780827 /nfs/dbraw/zinc/78/08/27/368780827.db2.gz RFTQGDCOQPNRFO-CYBMUJFWSA-N 1 0 271.360 3.294 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCc2nccs2)c1 ZINC000063133718 369641128 /nfs/dbraw/zinc/64/11/28/369641128.db2.gz XLMBGOKTTIXLKB-LLVKDONJSA-N 1 0 262.378 3.050 20 10 CGCDRO CCC[N@H+](Cc1cccn1C)Cc1ccccc1O ZINC000092705070 370099379 /nfs/dbraw/zinc/09/93/79/370099379.db2.gz WSHMDJOCWQUXPC-UHFFFAOYSA-N 1 0 258.365 3.143 20 10 CGCDRO C[C@H](CN1CCCCC1)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000094617550 370168000 /nfs/dbraw/zinc/16/80/00/370168000.db2.gz FECUAQHEDGALFF-OLZOCXBDSA-N 1 0 280.387 3.056 20 10 CGCDRO CCOc1cccc(C[NH2+]Cc2sccc2C)c1O ZINC000112017581 370408852 /nfs/dbraw/zinc/40/88/52/370408852.db2.gz NGJOVCXRLLLENM-UHFFFAOYSA-N 1 0 277.389 3.451 20 10 CGCDRO C[C@H]([NH2+]C[C@@]1(C)CCCS1)c1cc(F)ccc1O ZINC000134053085 371299953 /nfs/dbraw/zinc/29/99/53/371299953.db2.gz XSAJUOMSVAXDRE-IINYFYTJSA-N 1 0 269.385 3.468 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCCn2ccnc2)cc1 ZINC000151118514 371572011 /nfs/dbraw/zinc/57/20/11/371572011.db2.gz LHWMIBFYWVUQDZ-OAHLLOKOSA-N 1 0 286.423 3.080 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCCSC2)c1 ZINC000286926996 371574521 /nfs/dbraw/zinc/57/45/21/371574521.db2.gz FYPCIXXNHWGCDB-NWDGAFQWSA-N 1 0 281.421 3.195 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1CCOC[C@@H]1C)c1cc(Cl)ccc1O ZINC000287375481 371645200 /nfs/dbraw/zinc/64/52/00/371645200.db2.gz HYJILWPJUVSDDS-SDDRHHMPSA-N 1 0 283.799 3.369 20 10 CGCDRO CCOC(CCC[NH2+]Cc1ccc(OC)c(C)c1)OCC ZINC000287804184 371707706 /nfs/dbraw/zinc/70/77/06/371707706.db2.gz UGMFHWNZDBWSTK-UHFFFAOYSA-N 1 0 295.423 3.273 20 10 CGCDRO C[C@@H]1Oc2ccccc2[C@H]1[NH2+]Cc1ccccc1O ZINC000288466014 371739537 /nfs/dbraw/zinc/73/95/37/371739537.db2.gz FGHSVECDUYIUAC-ZBEGNZNMSA-N 1 0 255.317 3.004 20 10 CGCDRO C[C@@H]1Oc2ccccc2[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000288516680 371739964 /nfs/dbraw/zinc/73/99/64/371739964.db2.gz JGBLEBDBYGTITJ-SCLBCKFNSA-N 1 0 282.387 3.364 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H]1CCOC[C@@H]1C)c1ccccc1O ZINC000287621535 371685895 /nfs/dbraw/zinc/68/58/95/371685895.db2.gz SZGMCFUYZVCBCH-YDHLFZDLSA-N 1 0 263.381 3.106 20 10 CGCDRO C[C@H]([NH2+]Cc1ncccc1N(C)C)c1ccc(N(C)C)cc1 ZINC000289574647 371763561 /nfs/dbraw/zinc/76/35/61/371763561.db2.gz BDRFLNZZAKKZTQ-AWEZNQCLSA-N 1 0 298.434 3.064 20 10 CGCDRO Oc1ccc2ccccc2c1C[N@@H+]1CCC[C@H]1CF ZINC000293920192 372524727 /nfs/dbraw/zinc/52/47/27/372524727.db2.gz GPPRIGMQVCGOFX-ZDUSSCGKSA-N 1 0 259.324 3.479 20 10 CGCDRO Oc1ccccc1C[NH2+]C[C@@H]1CCCCC1(F)F ZINC000294167322 372599755 /nfs/dbraw/zinc/59/97/55/372599755.db2.gz IYAWERBMVSGAGQ-LBPRGKRZSA-N 1 0 255.308 3.307 20 10 CGCDRO CCC[C@H](O)C[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000168771939 372618942 /nfs/dbraw/zinc/61/89/42/372618942.db2.gz NBGZXKNWTOSGAF-JSGCOSHPSA-N 1 0 273.376 3.357 20 10 CGCDRO C[C@H]([NH2+]CC1CCSCC1)c1cc(F)ccc1O ZINC000168774606 372619521 /nfs/dbraw/zinc/61/95/21/372619521.db2.gz YGWAHGRQAMXHLJ-JTQLQIEISA-N 1 0 269.385 3.325 20 10 CGCDRO CC(C)COCCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296144046 373036948 /nfs/dbraw/zinc/03/69/48/373036948.db2.gz WKSIEUNDIKSHSI-AWEZNQCLSA-N 1 0 263.381 3.032 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)c1ccc(C)c(C)c1O)[C@H](O)C(F)F ZINC000296493781 373152427 /nfs/dbraw/zinc/15/24/27/373152427.db2.gz OSTPPLCGUGGWNK-OSMZGAPFSA-N 1 0 287.350 3.064 20 10 CGCDRO Cc1cc(NCCCSc2nccs2)cc[nH+]1 ZINC000302556622 373895320 /nfs/dbraw/zinc/89/53/20/373895320.db2.gz JWBBVCHYNMIKCT-UHFFFAOYSA-N 1 0 265.407 3.441 20 10 CGCDRO Cc1cc(Cl)cc(C[N@H+](C)C[C@H]2CCCOC2)c1O ZINC000180070215 373961115 /nfs/dbraw/zinc/96/11/15/373961115.db2.gz XWCVZLXQYYSVIY-GFCCVEGCSA-N 1 0 283.799 3.212 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H]2CC(C)(C)OC2(C)C)c1O ZINC000180368650 373995389 /nfs/dbraw/zinc/99/53/89/373995389.db2.gz PNDUJMAOWYXVBN-CQSZACIVSA-N 1 0 293.407 3.227 20 10 CGCDRO C[C@H]([NH2+]CC[C@@H]1CCCCO1)c1ccc(N(C)C)cc1 ZINC000180257013 373985047 /nfs/dbraw/zinc/98/50/47/373985047.db2.gz TWOGJEFUIGOKLM-YOEHRIQHSA-N 1 0 276.424 3.362 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccnc(N2CCCC2)c1)c1ccccc1O ZINC000183406365 374411823 /nfs/dbraw/zinc/41/18/23/374411823.db2.gz INIXCKMAUQFZFB-CQSZACIVSA-N 1 0 297.402 3.238 20 10 CGCDRO CCc1nc(CC[NH2+][C@@H](C)c2ccccc2O)cs1 ZINC000183483004 374418167 /nfs/dbraw/zinc/41/81/67/374418167.db2.gz FAYGVIJBFAIFOC-NSHDSACASA-N 1 0 276.405 3.304 20 10 CGCDRO CCc1noc(CC)c1C[NH2+][C@H](C)c1ccccc1O ZINC000183550536 374426119 /nfs/dbraw/zinc/42/61/19/374426119.db2.gz KLVPXKPZZPYFSB-LLVKDONJSA-N 1 0 274.364 3.356 20 10 CGCDRO COCCC1(C[NH2+][C@@H](C)c2ccccc2O)CCC1 ZINC000183561649 374428846 /nfs/dbraw/zinc/42/88/46/374428846.db2.gz KSTVMBMMUYJAKQ-ZDUSSCGKSA-N 1 0 263.381 3.250 20 10 CGCDRO COCCC(C)(C)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000183933744 374475514 /nfs/dbraw/zinc/47/55/14/374475514.db2.gz YTEBCVUMESPEGP-LBPRGKRZSA-N 1 0 281.396 3.114 20 10 CGCDRO COCCC(C)(C)C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000183943238 374475545 /nfs/dbraw/zinc/47/55/45/374475545.db2.gz UGLGLJFIIJWFHJ-LLVKDONJSA-N 1 0 269.360 3.245 20 10 CGCDRO CCC(CC)[C@H](O)C[NH2+][C@H](C)c1cc(C)ccc1O ZINC000185424450 374661233 /nfs/dbraw/zinc/66/12/33/374661233.db2.gz NQAAWINJSVGXMT-MLGOLLRUSA-N 1 0 265.397 3.148 20 10 CGCDRO Cc1nccn1CCCC[NH2+][C@H](C)c1ccc(C)cc1O ZINC000185545299 374684681 /nfs/dbraw/zinc/68/46/81/374684681.db2.gz IPNYDZMHBBXEDM-CQSZACIVSA-N 1 0 287.407 3.337 20 10 CGCDRO CCOC[C@H]([NH2+][C@@H](C)c1ccccc1O)C(C)C ZINC000189356319 375373649 /nfs/dbraw/zinc/37/36/49/375373649.db2.gz KMRDXXYZVSXLSK-JSGCOSHPSA-N 1 0 251.370 3.104 20 10 CGCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCS[C@H](C)CC2)c1O ZINC000192172095 375705935 /nfs/dbraw/zinc/70/59/35/375705935.db2.gz LPLGBOXKYLYOLP-SNVBAGLBSA-N 1 0 297.395 3.061 20 10 CGCDRO CS[C@H]1CCC[C@H]([NH2+]Cc2cccc(C)c2O)C1 ZINC000224818663 376288055 /nfs/dbraw/zinc/28/80/55/376288055.db2.gz NRNOVQWAOLERID-KBPBESRZSA-N 1 0 265.422 3.464 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)c1 ZINC000228172648 376431055 /nfs/dbraw/zinc/43/10/55/376431055.db2.gz FXFVEVNCMHOBHV-SWLSCSKDSA-N 1 0 261.365 3.165 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@@H]2CCCSC2)c(O)c1 ZINC000267224928 378033104 /nfs/dbraw/zinc/03/31/04/378033104.db2.gz UKJCKHAGQOKYAJ-CYBMUJFWSA-N 1 0 281.421 3.166 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CC[C@H](C)OC)cc1 ZINC000268861503 378133662 /nfs/dbraw/zinc/13/36/62/378133662.db2.gz RQDJZJWACZSUJM-UONOGXRCSA-N 1 0 264.413 3.218 20 10 CGCDRO CC(C)[C@@H](C)[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000268875613 378140330 /nfs/dbraw/zinc/14/03/30/378140330.db2.gz WNJXZUOWHSOPHL-OAHLLOKOSA-N 1 0 290.451 3.029 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]CCCc1ccccn1 ZINC000269383892 378214925 /nfs/dbraw/zinc/21/49/25/378214925.db2.gz YVNMPCFZSHZFEA-UHFFFAOYSA-N 1 0 276.767 3.163 20 10 CGCDRO C[C@]1(O)CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000271220069 378483566 /nfs/dbraw/zinc/48/35/66/378483566.db2.gz OSMJLIMNFFZJAO-SFHVURJKSA-N 1 0 283.371 3.016 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)CCc2nccs2)cc1F ZINC000271222856 378484277 /nfs/dbraw/zinc/48/42/77/378484277.db2.gz PNDXNLUQFWRAAJ-UHFFFAOYSA-N 1 0 293.411 3.023 20 10 CGCDRO COc1ncc(C[NH2+][C@H](C)c2ccccc2O)cc1Cl ZINC000271644232 378499278 /nfs/dbraw/zinc/49/92/78/378499278.db2.gz HURJWUSMRQFQNB-SNVBAGLBSA-N 1 0 292.766 3.300 20 10 CGCDRO CCC1(O)CC[NH+](Cc2cc(Cl)cc(C)c2O)CC1 ZINC000271798700 378504514 /nfs/dbraw/zinc/50/45/14/378504514.db2.gz KJDRUWWEVGBKTJ-UHFFFAOYSA-N 1 0 283.799 3.091 20 10 CGCDRO C[C@H](CCO)C1(C[NH2+]Cc2c(O)cccc2Cl)CCC1 ZINC000271873928 378509523 /nfs/dbraw/zinc/50/95/23/378509523.db2.gz YNXHXXVINDCNHH-GFCCVEGCSA-N 1 0 297.826 3.324 20 10 CGCDRO COc1cccc(C[NH2+]C[C@@H](C)c2ccc(F)cc2)c1O ZINC000271883962 378509670 /nfs/dbraw/zinc/50/96/70/378509670.db2.gz QFYFMUFEVPALCL-GFCCVEGCSA-N 1 0 289.350 3.433 20 10 CGCDRO Cc1cccc(C[N@@H+](C)[C@H](CCO)c2ccccc2)c1O ZINC000271880343 378510518 /nfs/dbraw/zinc/51/05/18/378510518.db2.gz VAMUFCGKPOQFGO-QGZVFWFLSA-N 1 0 285.387 3.256 20 10 CGCDRO Cc1cccc(C[NH2+][C@H]2CCO[C@H](CC(C)C)C2)c1O ZINC000272174887 378577440 /nfs/dbraw/zinc/57/74/40/378577440.db2.gz XHCFCPASGCDPQE-JKSUJKDBSA-N 1 0 277.408 3.384 20 10 CGCDRO COCC[C@@H]([NH2+]Cc1cc(C)c(C)cc1O)c1ccco1 ZINC000272612220 378676001 /nfs/dbraw/zinc/67/60/01/378676001.db2.gz UXXYVXHMYRHYHM-OAHLLOKOSA-N 1 0 289.375 3.469 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCOC2)c(O)c1C ZINC000273296476 378740587 /nfs/dbraw/zinc/74/05/87/378740587.db2.gz AEABONPYAUECNZ-UONOGXRCSA-N 1 0 263.381 3.086 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCO[C@H](C)C2)c(O)c1C ZINC000273355723 378742467 /nfs/dbraw/zinc/74/24/67/378742467.db2.gz CMQFZRPXJKPZFR-XBFCOCLRSA-N 1 0 263.381 3.227 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCSC1)c1cc(Cl)ccc1O ZINC000273345796 378742493 /nfs/dbraw/zinc/74/24/93/378742493.db2.gz ARFDYDFSSPSHFM-PSASIEDQSA-N 1 0 257.786 3.202 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N(C)C)nc2)c(O)c1 ZINC000273414707 378745365 /nfs/dbraw/zinc/74/53/65/378745365.db2.gz QMFAELQJZKPXCM-CYBMUJFWSA-N 1 0 285.391 3.012 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCOC(C)C)c(O)c1C ZINC000273435962 378746116 /nfs/dbraw/zinc/74/61/16/378746116.db2.gz MDHIJBNDOBEYAU-ZDUSSCGKSA-N 1 0 251.370 3.085 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCOC3(CCC3)C2)c1 ZINC000273530899 378751863 /nfs/dbraw/zinc/75/18/63/378751863.db2.gz WHPAQLBVUGHCKZ-KBPBESRZSA-N 1 0 275.392 3.453 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cnn(C)c2)c(O)c1C ZINC000273569676 378754301 /nfs/dbraw/zinc/75/43/01/378754301.db2.gz KLMHDDHBAWJOKT-QWHCGFSZSA-N 1 0 273.380 3.154 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1ccc(C)cc1O ZINC000373564127 379299859 /nfs/dbraw/zinc/29/98/59/379299859.db2.gz RKDMNKHGUSECOH-HIFRSBDPSA-N 1 0 285.391 3.022 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H]2c2ncc[nH]2)cc1C ZINC000375344286 379493273 /nfs/dbraw/zinc/49/32/73/379493273.db2.gz CSXWOZGRYLROJM-AWEZNQCLSA-N 1 0 271.364 3.069 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+][C@@H]1COc2c1cccc2Cl ZINC000376168344 379524538 /nfs/dbraw/zinc/52/45/38/379524538.db2.gz WHHIVPITNNDBLA-CYBMUJFWSA-N 1 0 293.725 3.408 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]C[C@@H]2CCC(F)(F)C2)c1 ZINC000281384338 379832528 /nfs/dbraw/zinc/83/25/28/379832528.db2.gz GRWPROHJFUZBKE-LLVKDONJSA-N 1 0 255.308 3.226 20 10 CGCDRO Cc1ccc(O)c(CNc2[nH+]ccn2CC(C)C)c1 ZINC000281134629 379820526 /nfs/dbraw/zinc/82/05/26/379820526.db2.gz YRRUPEUMJKOCSC-UHFFFAOYSA-N 1 0 259.353 3.165 20 10 CGCDRO COc1cc(Cl)cc(C[N@H+](C)CCCSC)c1O ZINC000281308646 379828378 /nfs/dbraw/zinc/82/83/78/379828378.db2.gz QFKKMGNYBWBTRB-UHFFFAOYSA-N 1 0 289.828 3.239 20 10 CGCDRO C[C@@H]([NH2+]CCC1(O)CCC1)c1cc(Cl)ccc1O ZINC000284269095 380136373 /nfs/dbraw/zinc/13/63/73/380136373.db2.gz GTWZGACSQTWLBE-SNVBAGLBSA-N 1 0 269.772 3.001 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]CC(C)(C)CCCO)c(O)c1 ZINC000285246106 380145944 /nfs/dbraw/zinc/14/59/44/380145944.db2.gz PUDYENUBXGSFTJ-AWEZNQCLSA-N 1 0 279.424 3.458 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1 ZINC000365624084 382290672 /nfs/dbraw/zinc/29/06/72/382290672.db2.gz SITTXTURUONFQG-DLBZAZTESA-N 1 0 287.403 3.234 20 10 CGCDRO CCN(CC)c1ccc(C[NH+]2CC([C@H]3CCOC3)C2)cc1 ZINC000366248007 382304259 /nfs/dbraw/zinc/30/42/59/382304259.db2.gz GUSOASOYXYZXTJ-INIZCTEOSA-N 1 0 288.435 3.001 20 10 CGCDRO CC[C@@H]([NH2+][C@H]1CCc2c[nH]nc2C1)c1ccc(C)cc1O ZINC000366442027 382309120 /nfs/dbraw/zinc/30/91/20/382309120.db2.gz DVCLXTVWIVYVKX-DZGCQCFKSA-N 1 0 285.391 3.022 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)c1ccc(C)cc1O ZINC000366442029 382309483 /nfs/dbraw/zinc/30/94/83/382309483.db2.gz DVCLXTVWIVYVKX-UKRRQHHQSA-N 1 0 285.391 3.022 20 10 CGCDRO C[C@@H]([NH2+]C1CCN(c2ccccn2)CC1)c1ccccc1O ZINC000192709508 533338970 /nfs/dbraw/zinc/33/89/70/533338970.db2.gz HTNWQIBRFIYXHC-CQSZACIVSA-N 1 0 297.402 3.107 20 10 CGCDRO COc1cccc(C[N@@H+]2CCc3cccc(F)c3C2)c1O ZINC000093454287 392237766 /nfs/dbraw/zinc/23/77/66/392237766.db2.gz XXSGZHDJXLHMBW-UHFFFAOYSA-N 1 0 287.334 3.098 20 10 CGCDRO COc1cccc(C[N@@H+]2CCS[C@H]3CCCC[C@@H]32)c1O ZINC000093690198 392239034 /nfs/dbraw/zinc/23/90/34/392239034.db2.gz RGJKEMJLBZWVGY-ZFWWWQNUSA-N 1 0 293.432 3.261 20 10 CGCDRO CCSCC[C@H](C)[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000093871055 392241092 /nfs/dbraw/zinc/24/10/92/392241092.db2.gz NQIUSTUKTTYKAO-NSHDSACASA-N 1 0 297.420 3.084 20 10 CGCDRO CCn1cc([C@@H](C)[NH2+]Cc2ccc3c(c2)CCCN3C)cn1 ZINC000122937758 392424145 /nfs/dbraw/zinc/42/41/45/392424145.db2.gz PSAKPUZPZVTCCZ-CQSZACIVSA-N 1 0 298.434 3.136 20 10 CGCDRO CC[C@H]([NH2+]CC(C)(C)CCOC)c1ccccc1O ZINC000158111365 392556456 /nfs/dbraw/zinc/55/64/56/392556456.db2.gz PHGHZFCHPQNORX-AWEZNQCLSA-N 1 0 265.397 3.496 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@]2(C)CCO[C@@H]2C2CC2)cc1C ZINC000372069021 392580166 /nfs/dbraw/zinc/58/01/66/392580166.db2.gz VHLVKPBGEXQYEF-MSOLQXFVSA-N 1 0 289.419 3.304 20 10 CGCDRO Oc1ccc2ccccc2c1C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000372176462 392591925 /nfs/dbraw/zinc/59/19/25/392591925.db2.gz SESAFGJLLRIVJM-JKSUJKDBSA-N 1 0 297.398 3.404 20 10 CGCDRO CC[C@H]([NH2+]CC1CCOCC1)c1ccc(N(C)C)cc1 ZINC000178280454 392676429 /nfs/dbraw/zinc/67/64/29/392676429.db2.gz WRRATLAZCHWEOM-KRWDZBQOSA-N 1 0 276.424 3.220 20 10 CGCDRO Oc1ccccc1C[NH2+][C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000374498243 392680004 /nfs/dbraw/zinc/68/00/04/392680004.db2.gz UVLLGVVFCQPQIG-WMZOPIPTSA-N 1 0 283.371 3.260 20 10 CGCDRO CSC1(C[NH2+][C@H](C)c2ccccc2O)CCC1 ZINC000193810783 392886970 /nfs/dbraw/zinc/88/69/70/392886970.db2.gz PVKLIZCAKXDKPU-LLVKDONJSA-N 1 0 251.395 3.329 20 10 CGCDRO COc1cccc(C[NH2+]CCCc2ccccc2)c1O ZINC000020122720 171003203 /nfs/dbraw/zinc/00/32/03/171003203.db2.gz PAODWJLUFHQTNQ-UHFFFAOYSA-N 1 0 271.360 3.123 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2ccc(N(C)C)cc2)s1 ZINC000020146131 171032124 /nfs/dbraw/zinc/03/21/24/171032124.db2.gz WBBORUHYEZWZOO-UHFFFAOYSA-N 1 0 260.406 3.412 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](CC(C)C)N(C)C)c1ccccc1O ZINC000020201591 171065739 /nfs/dbraw/zinc/06/57/39/171065739.db2.gz ZYBBJTCPBOYPLG-ZBFHGGJFSA-N 1 0 278.440 3.409 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccccc2)c(O)c1 ZINC000035601176 172290072 /nfs/dbraw/zinc/29/00/72/172290072.db2.gz UKMWQQHXKPCSPT-SUMWQHHRSA-N 1 0 271.360 3.085 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](C)N2CCCCC2)c(O)c1 ZINC000038028701 174017217 /nfs/dbraw/zinc/01/72/17/174017217.db2.gz XWVAGHPIYLEXRG-CABCVRRESA-N 1 0 276.424 3.226 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](C)N2CCCCC2)c(O)c1 ZINC000038028703 174017289 /nfs/dbraw/zinc/01/72/89/174017289.db2.gz XWVAGHPIYLEXRG-GJZGRUSLSA-N 1 0 276.424 3.226 20 10 CGCDRO C[C@H](C[NH2+][C@H](C)c1ccc(N(C)C)cc1)N1CCCCC1 ZINC000038028997 174018314 /nfs/dbraw/zinc/01/83/14/174018314.db2.gz GRNMHGISIIHUTC-HZPDHXFCSA-N 1 0 289.467 3.278 20 10 CGCDRO CCCCC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000152207257 261061623 /nfs/dbraw/zinc/06/16/23/261061623.db2.gz QNJQJMMNWYMUSE-OAHLLOKOSA-N 1 0 276.424 3.364 20 10 CGCDRO CC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000154460171 261091805 /nfs/dbraw/zinc/09/18/05/261091805.db2.gz FRRDFEWYFFMGGN-YJBOKZPZSA-N 1 0 290.451 3.489 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1ccccc1O ZINC000155978178 261110306 /nfs/dbraw/zinc/11/03/06/261110306.db2.gz LCRXWORIPSLCSA-GDBMZVCRSA-N 1 0 291.416 3.402 20 10 CGCDRO CC[C@@H]([NH2+][C@H]1c2ccccc2C[C@@H]1O)c1ccccc1O ZINC000156300547 261119224 /nfs/dbraw/zinc/11/92/24/261119224.db2.gz HPSWWFAKVXVDPH-NJAFHUGGSA-N 1 0 283.371 3.091 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCO[C@H](C2CC2)C1)c1ccccc1O ZINC000157892207 261154777 /nfs/dbraw/zinc/15/47/77/261154777.db2.gz WXAGJGFVKDYSNM-RBOXIYTFSA-N 1 0 261.365 3.000 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](CO)Cc2ccccc2)c(O)c1C ZINC000158175969 261159946 /nfs/dbraw/zinc/15/99/46/261159946.db2.gz MXNNJVHRXIWOMO-NVXWUHKLSA-N 1 0 299.414 3.263 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](CO)Cc2ccccc2)c(O)c1C ZINC000158176118 261160004 /nfs/dbraw/zinc/16/00/04/261160004.db2.gz MXNNJVHRXIWOMO-DOTOQJQBSA-N 1 0 299.414 3.263 20 10 CGCDRO CCOC(C)(C)C[NH2+][C@H](C)c1ccc(C)cc1O ZINC000159279416 261182877 /nfs/dbraw/zinc/18/28/77/261182877.db2.gz YXCPEMWAJFQMKA-GFCCVEGCSA-N 1 0 251.370 3.166 20 10 CGCDRO C[C@@H]([NH2+]C[C@H](CO)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000161457047 261247758 /nfs/dbraw/zinc/24/77/58/261247758.db2.gz UBMAGYSIZKOGAK-CRAIPNDOSA-N 1 0 298.430 3.179 20 10 CGCDRO C[C@@H](C[NH2+][C@@H](C)c1ccccc1O)N1CCC[C@@H](C)C1 ZINC000183418788 261974022 /nfs/dbraw/zinc/97/40/22/261974022.db2.gz ZZSIFDULFASCST-ILXRZTDVSA-N 1 0 276.424 3.163 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCC[C@@H]2CCCCO2)c1 ZINC000183987995 262003907 /nfs/dbraw/zinc/00/39/07/262003907.db2.gz AKKHDADFHGYJAI-KBPBESRZSA-N 1 0 293.407 3.401 20 10 CGCDRO C[C@H]([NH2+]Cc1nccs1)c1cc(Cl)ccc1O ZINC000185087593 262041078 /nfs/dbraw/zinc/04/10/78/262041078.db2.gz SIBJGLTUEJLHPR-QMMMGPOBSA-N 1 0 268.769 3.353 20 10 CGCDRO COc1ccc(C[NH2+][C@H](C)c2ccc(C)cc2O)cc1O ZINC000185300936 262048882 /nfs/dbraw/zinc/04/88/82/262048882.db2.gz AQJFZUFUEPFBMK-GFCCVEGCSA-N 1 0 287.359 3.266 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@](C)(O)c2cccs2)c1 ZINC000185518599 262058001 /nfs/dbraw/zinc/05/80/01/262058001.db2.gz VREFKYCOQLJKGR-MLGOLLRUSA-N 1 0 291.416 3.320 20 10 CGCDRO CCC(CC)(CCO)C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000185620960 262063095 /nfs/dbraw/zinc/06/30/95/262063095.db2.gz GBTRWMYACNUGTK-CYBMUJFWSA-N 1 0 295.423 3.240 20 10 CGCDRO CC[C@H](CCO)C[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000185676867 262065768 /nfs/dbraw/zinc/06/57/68/262065768.db2.gz PQEOSTHQNQQWPC-WDEREUQCSA-N 1 0 271.788 3.105 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H](CO)c1ccccc1)c1ccccc1O ZINC000186237057 262085012 /nfs/dbraw/zinc/08/50/12/262085012.db2.gz WYZRVMIXOFAXOQ-DOTOQJQBSA-N 1 0 285.387 3.209 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](CO)c1ccccc1)c1ccccc1O ZINC000186237039 262085626 /nfs/dbraw/zinc/08/56/26/262085626.db2.gz WYZRVMIXOFAXOQ-RDJZCZTQSA-N 1 0 285.387 3.209 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c1O ZINC000367689370 267109820 /nfs/dbraw/zinc/10/98/20/267109820.db2.gz UXCXDEFYVJWUJM-HOTGVXAUSA-N 1 0 289.419 3.339 20 10 CGCDRO C[C@H]1COCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000370183744 267296957 /nfs/dbraw/zinc/29/69/57/267296957.db2.gz LXYRBUYDILTHLP-MRXNPFEDSA-N 1 0 288.435 3.145 20 10 CGCDRO C[C@@H](CN(C)C)[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000287132755 277567533 /nfs/dbraw/zinc/56/75/33/277567533.db2.gz RTFJHAOWBJUHRB-HOTGVXAUSA-N 1 0 289.467 3.278 20 10 CGCDRO C[C@H](C[NH2+][C@H](C)c1ccc2ccccc2c1O)N(C)C ZINC000038088831 278210226 /nfs/dbraw/zinc/21/02/26/278210226.db2.gz NWRPECRHHCYLAD-CHWSQXEVSA-N 1 0 272.392 3.146 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC2(OC)CCCC2)c1 ZINC000295973831 295167441 /nfs/dbraw/zinc/16/74/41/295167441.db2.gz IXLLPDQEPMMPQN-GFCCVEGCSA-N 1 0 279.380 3.011 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCc2ccccc2O)c1 ZINC000185302848 327838113 /nfs/dbraw/zinc/83/81/13/327838113.db2.gz FGMJMRCAJANRQZ-ZDUSSCGKSA-N 1 0 271.360 3.300 20 10 CGCDRO CSCCC[N@H+](C)Cc1cc(C)c(C)cc1O ZINC000281122117 328238840 /nfs/dbraw/zinc/23/88/40/328238840.db2.gz CDBATPFJIRWKBY-UHFFFAOYSA-N 1 0 253.411 3.194 20 10 CGCDRO C[C@@H](CCO)CC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000295131237 327608212 /nfs/dbraw/zinc/60/82/12/327608212.db2.gz ONZNCVTVVBUEOA-MRXNPFEDSA-N 1 0 290.451 3.175 20 10 CGCDRO Cc1cccc2c1OCC[C@H]2[NH2+]Cc1cc(F)ccc1O ZINC000188011183 329363419 /nfs/dbraw/zinc/36/34/19/329363419.db2.gz RZAJQWPQVYSTLR-OAHLLOKOSA-N 1 0 287.334 3.453 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]C[C@]2(C)COc3ccccc3O2)c1 ZINC000527736426 330278808 /nfs/dbraw/zinc/27/88/08/330278808.db2.gz QHDDIBTXLKIZHE-GOSISDBHSA-N 1 0 299.370 3.020 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CC[C@H]2CCCOC2)c(O)c1C ZINC000527931309 330297377 /nfs/dbraw/zinc/29/73/77/330297377.db2.gz RPEFFDXQGVZZLR-HUUCEWRRSA-N 1 0 277.408 3.476 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCc3n[nH]cc3C2)cc1 ZINC000090455503 330392733 /nfs/dbraw/zinc/39/27/33/330392733.db2.gz KRTDELOLQBQXAB-XJKSGUPXSA-N 1 0 298.434 3.074 20 10 CGCDRO CCc1ccc(C[NH2+]Cc2cccc(OC)c2O)s1 ZINC000227437496 333282966 /nfs/dbraw/zinc/28/29/66/333282966.db2.gz KPZLFRWZERMMRJ-UHFFFAOYSA-N 1 0 277.389 3.315 20 10 CGCDRO C[C@@H]([NH2+]CC1CC1)c1cc(Br)ccc1O ZINC000134911922 334108134 /nfs/dbraw/zinc/10/81/34/334108134.db2.gz HPLKOFCURSVYSF-MRVPVSSYSA-N 1 0 270.170 3.215 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)cc1 ZINC000246827764 334270093 /nfs/dbraw/zinc/27/00/93/334270093.db2.gz GNJKCXWYNXDXIO-BRWVUGGUSA-N 1 0 288.435 3.046 20 10 CGCDRO O[C@H]1CC[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000252706089 334385878 /nfs/dbraw/zinc/38/58/78/334385878.db2.gz SFUUEDDAGSQGHX-SAABIXHNSA-N 1 0 288.435 3.070 20 10 CGCDRO CCC[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000052067782 519986111 /nfs/dbraw/zinc/98/61/11/519986111.db2.gz LNRRHDJXWOSVCA-QMMMGPOBSA-N 1 0 258.159 3.215 20 10 CGCDRO CCOC[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000292986692 520116517 /nfs/dbraw/zinc/11/65/17/520116517.db2.gz FSJQPNNOKNRKPD-QGZVFWFLSA-N 1 0 290.451 3.310 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CCCC(C)(F)F)cc1 ZINC000296186313 522206733 /nfs/dbraw/zinc/20/67/33/522206733.db2.gz YCUBTMVNRXARCN-UHFFFAOYSA-N 1 0 256.340 3.278 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C[C@@]2(C)CCCS2)cc1 ZINC000126527385 522208080 /nfs/dbraw/zinc/20/80/80/522208080.db2.gz ZGJWWMFFWOESIF-OAHLLOKOSA-N 1 0 264.438 3.128 20 10 CGCDRO CC[C@H]([NH2+]CCC[C@H](C)CO)c1ccc(N(C)C)cc1 ZINC000271595022 522585902 /nfs/dbraw/zinc/58/59/02/522585902.db2.gz YUWGIOZMIVTPDL-YOEHRIQHSA-N 1 0 278.440 3.202 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H]1CCCC[C@H]1O)c1ccc(C)cc1O ZINC000279945249 522617227 /nfs/dbraw/zinc/61/72/27/522617227.db2.gz BKKUKZQPHVMVCW-CWRNSKLLSA-N 1 0 277.408 3.292 20 10 CGCDRO COC1(C[NH2+][C@@H](C)c2ccc(C)cc2O)CCCC1 ZINC000297438210 522632047 /nfs/dbraw/zinc/63/20/47/522632047.db2.gz VXCVJCRDCNMCSQ-ZDUSSCGKSA-N 1 0 263.381 3.310 20 10 CGCDRO COC1(C[C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2)CCC1 ZINC000277368588 522639236 /nfs/dbraw/zinc/63/92/36/522639236.db2.gz XMTXUPRJDFGGRC-CQSZACIVSA-N 1 0 276.424 3.190 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(C)nc1)c1ccccc1O ZINC000062050978 522644951 /nfs/dbraw/zinc/64/49/51/522644951.db2.gz SDDMIHKKGVFZIV-HNNXBMFYSA-N 1 0 256.349 3.337 20 10 CGCDRO CC[C@H]([NH2+][C@@H](CCO)c1ccco1)c1ccc(C)cc1O ZINC000280013037 522705193 /nfs/dbraw/zinc/70/51/93/522705193.db2.gz GVPFCRFORVRTJS-GJZGRUSLSA-N 1 0 289.375 3.458 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCCC[C@H]1O)c1ccc(C)cc1O ZINC000280263983 522711620 /nfs/dbraw/zinc/71/16/20/522711620.db2.gz XKLRZDNWQZMNCL-RRFJBIMHSA-N 1 0 263.381 3.045 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@H]1C)c1ccc(C)cc1O ZINC000279935211 522722906 /nfs/dbraw/zinc/72/29/06/522722906.db2.gz AXGNEEIQZALCNT-XOKHGSTOSA-N 1 0 288.435 3.224 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCN(c2ccccn2)C1)c1ccccc1O ZINC000156901716 522756167 /nfs/dbraw/zinc/75/61/67/522756167.db2.gz SKFZTVTVHAWATL-HOCLYGCPSA-N 1 0 297.402 3.107 20 10 CGCDRO CC[C@@H]([NH2+]CC(C)(C)CCO)c1ccc(N(C)C)cc1 ZINC000268890165 522818354 /nfs/dbraw/zinc/81/83/54/522818354.db2.gz CSNXMPXTCIVTLE-MRXNPFEDSA-N 1 0 278.440 3.202 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](CCO)C(C)(C)C)c1ccccc1O ZINC000157991798 522919679 /nfs/dbraw/zinc/91/96/79/522919679.db2.gz JDXSYIXAOOVSDK-HIFRSBDPSA-N 1 0 265.397 3.230 20 10 CGCDRO CC[C@@H]1C[N@H+](Cc2cc(C)ccc2O)CCS1 ZINC000093502345 523448882 /nfs/dbraw/zinc/44/88/82/523448882.db2.gz DCTROWIHSZFZIF-CYBMUJFWSA-N 1 0 251.395 3.028 20 10 CGCDRO C[C@H]1C[N@H+](Cc2c(O)ccc3ccccc32)CCCO1 ZINC000096810807 524607450 /nfs/dbraw/zinc/60/74/50/524607450.db2.gz KYBFIRGPUXZVGG-ZDUSSCGKSA-N 1 0 271.360 3.156 20 10 CGCDRO COc1ncccc1C[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000293242331 525063554 /nfs/dbraw/zinc/06/35/54/525063554.db2.gz BFMPMYVJBFLIDR-CYBMUJFWSA-N 1 0 286.375 3.263 20 10 CGCDRO C[C@]1(C[NH2+]Cc2ccccc2O)OCCc2sccc21 ZINC000289969918 525267802 /nfs/dbraw/zinc/26/78/02/525267802.db2.gz YWYBRRLYNAQEOB-MRXNPFEDSA-N 1 0 289.400 3.031 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)cc1C ZINC000291848043 525319439 /nfs/dbraw/zinc/31/94/39/525319439.db2.gz HKQCBVXPQVGMPX-LSDHHAIUSA-N 1 0 281.346 3.486 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H]2c2ccncc2)c1 ZINC000289851593 525342734 /nfs/dbraw/zinc/34/27/34/525342734.db2.gz QAOKELXIYVFSFB-MRXNPFEDSA-N 1 0 268.360 3.433 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](CO)c2ccccc2)c1 ZINC000062999846 525364533 /nfs/dbraw/zinc/36/45/33/525364533.db2.gz CSROJYPVVNMHJS-BBRMVZONSA-N 1 0 271.360 3.085 20 10 CGCDRO C[C@H]([NH2+]CCc1ccc(O)cc1)c1ccc(N(C)C)cc1 ZINC000040736162 525366583 /nfs/dbraw/zinc/36/65/83/525366583.db2.gz LKMKBZKFRCJSRT-AWEZNQCLSA-N 1 0 284.403 3.352 20 10 CGCDRO C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(F)cc1[O-] ZINC000062745109 525394670 /nfs/dbraw/zinc/39/46/70/525394670.db2.gz SASPZEMMDBKPPZ-LLVKDONJSA-N 1 0 294.414 3.491 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccccn1 ZINC000050286073 525449036 /nfs/dbraw/zinc/44/90/36/525449036.db2.gz CTUZFRWFYLEVAJ-AWEZNQCLSA-N 1 0 281.403 3.315 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccccc1O)[C@@H]1OCCc2sccc21 ZINC000291656144 525537959 /nfs/dbraw/zinc/53/79/59/525537959.db2.gz DLHUZVLERIORJE-BZNIZROVSA-N 1 0 289.400 3.246 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1COc2ccc(F)cc2C1)c1ccccc1O ZINC000290375448 525651686 /nfs/dbraw/zinc/65/16/86/525651686.db2.gz RLWZCFBVEDUXBR-RISCZKNCSA-N 1 0 287.334 3.186 20 10 CGCDRO C[C@@H](O)CCC[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000228031002 525758853 /nfs/dbraw/zinc/75/88/53/525758853.db2.gz FLPBVPAYIUXGAI-CHWSQXEVSA-N 1 0 273.376 3.357 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](CO)c2ccccc2)c(O)c1 ZINC000062999642 525938516 /nfs/dbraw/zinc/93/85/16/525938516.db2.gz PLLPJKWUUZMNCC-BBRMVZONSA-N 1 0 271.360 3.085 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCOC3(CCC3)C2)c(O)c1 ZINC000273502134 525946307 /nfs/dbraw/zinc/94/63/07/525946307.db2.gz QJGVEWSLVTWJNZ-KBPBESRZSA-N 1 0 275.392 3.453 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+][C@@H]1CCCSC1 ZINC000129235797 526364688 /nfs/dbraw/zinc/36/46/88/526364688.db2.gz IGAYLENHFREAND-SECBINFHSA-N 1 0 257.786 3.031 20 10 CGCDRO Oc1ccccc1C[NH2+]CC1CCN(c2ccccc2)CC1 ZINC000280498465 526372082 /nfs/dbraw/zinc/37/20/82/526372082.db2.gz FWQQUOXGEXTQQQ-UHFFFAOYSA-N 1 0 296.414 3.398 20 10 CGCDRO CCN(CC)c1ccc(C[NH+]2CCCC2)cc1F ZINC000740002905 571674774 /nfs/dbraw/zinc/67/47/74/571674774.db2.gz RWSJEGPRONRUDT-UHFFFAOYSA-N 1 0 250.361 3.268 20 10 CGCDRO COc1ccc(C[NH2+]CCN2[C@@H](C)CCC[C@@H]2C)cc1C ZINC000730818420 572377913 /nfs/dbraw/zinc/37/79/13/572377913.db2.gz VGLJARSVMLPJLI-HOTGVXAUSA-N 1 0 290.451 3.356 20 10 CGCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]C1CCOCC1 ZINC000725846675 572439542 /nfs/dbraw/zinc/43/95/42/572439542.db2.gz OSNJPOGDFWSDPR-UHFFFAOYSA-N 1 0 283.371 3.328 20 10 CGCDRO C[N@H+](Cc1c(O)ccc2ccccc21)[C@@H]1CCN(C2CC2)C1 ZINC000732189355 572451346 /nfs/dbraw/zinc/45/13/46/572451346.db2.gz QRSOLZCKEFMFQN-MRXNPFEDSA-N 1 0 296.414 3.214 20 10 CGCDRO C[C@H](C[NH2+]Cc1c(O)cccc1Cl)N1CCC[C@H](C)C1 ZINC000733324691 572554981 /nfs/dbraw/zinc/55/49/81/572554981.db2.gz TXKNGQZSLLVJPS-QWHCGFSZSA-N 1 0 296.842 3.256 20 10 CGCDRO CC(C)N(C)CC[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000726189884 572564791 /nfs/dbraw/zinc/56/47/91/572564791.db2.gz QDWOCEODNKZTOD-UHFFFAOYSA-N 1 0 298.430 3.489 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)C2Cc3ccccc3C2)cc1 ZINC000733610148 572591498 /nfs/dbraw/zinc/59/14/98/572591498.db2.gz OGRJOSFABOXUJQ-UHFFFAOYSA-N 1 0 280.415 3.352 20 10 CGCDRO CCC[C@H](C(=O)OCC)[N@H+](CCC)Cc1ccccc1O ZINC000743870689 572694299 /nfs/dbraw/zinc/69/42/99/572694299.db2.gz ZUDZOBBHNHQWCB-OAHLLOKOSA-N 1 0 293.407 3.336 20 10 CGCDRO COC[C@H](Cc1ccccc1)[NH2+]Cc1cc(C)c(C)cc1O ZINC000747100881 572910158 /nfs/dbraw/zinc/91/01/58/572910158.db2.gz XCMCJWQBXUYVHV-SFHVURJKSA-N 1 0 299.414 3.356 20 10 CGCDRO CCC1([NH2+]Cc2ccc(N(C)C)c(F)c2)CCC1 ZINC000748098345 572960018 /nfs/dbraw/zinc/96/00/18/572960018.db2.gz BFHYMMHRCQALSS-UHFFFAOYSA-N 1 0 250.361 3.314 20 10 CGCDRO C[N@H+](CCc1ccccn1)Cc1cc(Cl)ccc1O ZINC000120801564 617802120 /nfs/dbraw/zinc/80/21/20/617802120.db2.gz NKFUOSCBVGVVCJ-UHFFFAOYSA-N 1 0 276.767 3.115 20 10 CGCDRO CC[C@@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2O)CC1 ZINC000160272022 617802925 /nfs/dbraw/zinc/80/29/25/617802925.db2.gz USBGKAQJLVJDHR-CYBMUJFWSA-N 1 0 293.407 3.422 20 10 CGCDRO COc1cc(O)c(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)cc1OC ZINC000160367260 618024973 /nfs/dbraw/zinc/02/49/73/618024973.db2.gz RGZONUBCNUKFIR-BETUJISGSA-N 1 0 291.391 3.031 20 10 CGCDRO C[C@@H]([NH2+]CC(C)(C)O)c1ccc(N2CCCCC2)cc1 ZINC000160582504 618098471 /nfs/dbraw/zinc/09/84/71/618098471.db2.gz IGRSZRWEBHKCLR-CQSZACIVSA-N 1 0 276.424 3.098 20 10 CGCDRO COc1ccc(C[N@H+](C)Cc2ccccc2)c(O)c1OC ZINC000891390684 618182549 /nfs/dbraw/zinc/18/25/49/618182549.db2.gz NZNUYVGZBXDCHW-UHFFFAOYSA-N 1 0 287.359 3.041 20 10 CGCDRO COc1ccc(C[N@H+](C)[C@H](C)C2(C)CC2)c(O)c1OC ZINC000892217266 618600629 /nfs/dbraw/zinc/60/06/29/618600629.db2.gz CWWXHVRFPPOSCM-LLVKDONJSA-N 1 0 279.380 3.030 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCN(C)c2ccccc2)c1 ZINC000184951961 625284644 /nfs/dbraw/zinc/28/46/44/625284644.db2.gz IJKGKWQKHMDJFV-OAHLLOKOSA-N 1 0 284.403 3.488 20 10 CGCDRO CCOc1ncccc1C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000184985999 625286264 /nfs/dbraw/zinc/28/62/64/625286264.db2.gz XZSPLBOSAKPNJW-NSHDSACASA-N 1 0 290.338 3.176 20 10 CGCDRO CC[C@@H](CSC)[NH2+]Cc1cc(Cl)ccc1O ZINC000162189525 618743400 /nfs/dbraw/zinc/74/34/00/618743400.db2.gz WRXUKMLPPBGTTL-NSHDSACASA-N 1 0 259.802 3.277 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C)c(O)c1OC ZINC000892447888 618788097 /nfs/dbraw/zinc/78/80/97/618788097.db2.gz XNRRCFGVZDLGIN-DGCLKSJQSA-N 1 0 279.380 3.078 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H](C)C2)c(O)c1OC ZINC000892510620 618825029 /nfs/dbraw/zinc/82/50/29/618825029.db2.gz PBPMUCZLVFJKIA-DGCLKSJQSA-N 1 0 279.380 3.078 20 10 CGCDRO CC(C)SCC[NH2+]Cc1c(O)cccc1Cl ZINC000309239487 618827031 /nfs/dbraw/zinc/82/70/31/618827031.db2.gz WGLUJUXMMFYTCG-UHFFFAOYSA-N 1 0 259.802 3.277 20 10 CGCDRO CC[C@H](C)[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000163807297 618891206 /nfs/dbraw/zinc/89/12/06/618891206.db2.gz ZJXXFELULMWHMZ-ZQIUZPCESA-N 1 0 278.440 3.200 20 10 CGCDRO CC[C@H]([NH2+][C@@H](COC)C(C)C)c1ccc(N(C)C)cc1 ZINC000165917967 618900630 /nfs/dbraw/zinc/90/06/30/618900630.db2.gz SPULZEVSJSQPGG-IRXDYDNUSA-N 1 0 278.440 3.464 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)CN(C)C(C)C)c(O)c1 ZINC000311415911 618908608 /nfs/dbraw/zinc/90/86/08/618908608.db2.gz JRMKCHPPAMNCTL-KBPBESRZSA-N 1 0 264.413 3.080 20 10 CGCDRO CCCCOCCC[NH2+][C@H](C)c1ccccc1O ZINC000167431353 618908941 /nfs/dbraw/zinc/90/89/41/618908941.db2.gz NFTUARVIRHBNJX-CYBMUJFWSA-N 1 0 251.370 3.250 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H](C)CCCCO ZINC000840892584 618927769 /nfs/dbraw/zinc/92/77/69/618927769.db2.gz BIRZDYFPOMEKHX-HOTGVXAUSA-N 1 0 292.467 3.133 20 10 CGCDRO CCC[C@@H](CC)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000892941759 618958711 /nfs/dbraw/zinc/95/87/11/618958711.db2.gz INAVHKYGTSKGDU-GFCCVEGCSA-N 1 0 267.369 3.078 20 10 CGCDRO C[C@@H]1SCC[C@H]1[NH2+]Cc1c(O)cccc1Cl ZINC000309814302 618963173 /nfs/dbraw/zinc/96/31/73/618963173.db2.gz AIPNUMUZPZQPHJ-GZMMTYOYSA-N 1 0 257.786 3.029 20 10 CGCDRO COc1ccc(C[NH2+]C2C[C@H](C)C[C@@H](C)C2)c(O)c1OC ZINC000892991451 618970951 /nfs/dbraw/zinc/97/09/51/618970951.db2.gz KTYJGGAVGYNUON-VXGBXAGGSA-N 1 0 293.407 3.324 20 10 CGCDRO CO[C@]1(C)C[C@H]([NH2+][C@H](C)c2ccccc2O)C1(C)C ZINC000183539678 619045122 /nfs/dbraw/zinc/04/51/22/619045122.db2.gz APQSITLUBSMSPQ-DIOULYMOSA-N 1 0 263.381 3.246 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH+]1CCC(n2ccnc2)CC1 ZINC000840912356 619122986 /nfs/dbraw/zinc/12/29/86/619122986.db2.gz NJEFFQDOAZJVHE-UHFFFAOYSA-N 1 0 298.434 3.095 20 10 CGCDRO Cc1noc(C)c1[C@H](C)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000313123646 619163625 /nfs/dbraw/zinc/16/36/25/619163625.db2.gz CPPNQCSHIFWHHF-ZANVPECISA-N 1 0 272.348 3.335 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H](C)[C@H](C)C2)c(O)c1OC ZINC000893568059 619224856 /nfs/dbraw/zinc/22/48/56/619224856.db2.gz RQNKYFSDDMESIW-YRGRVCCFSA-N 1 0 293.407 3.324 20 10 CGCDRO Cc1cnn([C@H]2CC[N@@H+](Cc3ccc(N(C)C)cc3C)C2)c1 ZINC000840947468 619248932 /nfs/dbraw/zinc/24/89/32/619248932.db2.gz JWIVTDZQFPFBEA-SFHVURJKSA-N 1 0 298.434 3.013 20 10 CGCDRO C[C@@H]1C[C@H](C[NH2+]C/C=C\c2ccc(N(C)C)cc2)[C@@H](C)O1 ZINC000840963128 619282882 /nfs/dbraw/zinc/28/28/82/619282882.db2.gz IIGCFZWQXISNLP-QHWJPZOLSA-N 1 0 288.435 3.169 20 10 CGCDRO C[C@H]([NH2+]CCOC1CCCC1)c1cc(F)ccc1O ZINC000094618225 619285351 /nfs/dbraw/zinc/28/53/51/619285351.db2.gz GBKYPRDYSJPZIJ-NSHDSACASA-N 1 0 267.344 3.141 20 10 CGCDRO CC(C)C[C@H](C[NH2+][C@H](C)c1cc(F)ccc1O)N(C)C ZINC000094616998 619285419 /nfs/dbraw/zinc/28/54/19/619285419.db2.gz MCPRSJNKIGYKFD-TZMCWYRMSA-N 1 0 282.403 3.158 20 10 CGCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C12CCC2 ZINC000236891229 619308361 /nfs/dbraw/zinc/30/83/61/619308361.db2.gz FTUWPOJYLJUVCG-DLBZAZTESA-N 1 0 289.419 3.441 20 10 CGCDRO [O-]c1c(F)cc(F)cc1C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000894002607 619349593 /nfs/dbraw/zinc/34/95/93/619349593.db2.gz SXUXKOXMIFHMGE-CYBMUJFWSA-N 1 0 253.292 3.045 20 10 CGCDRO CCCN(Cc1cnn(C)c1C1CC1)c1ccc(C[NH3+])cc1 ZINC000894047663 619358721 /nfs/dbraw/zinc/35/87/21/619358721.db2.gz UIDCMJGQVGCIPQ-UHFFFAOYSA-N 1 0 298.434 3.173 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@H](C)Cc2cccs2)c1O ZINC000894164522 619398006 /nfs/dbraw/zinc/39/80/06/619398006.db2.gz IETOPUVDERGMKR-GFCCVEGCSA-N 1 0 291.416 3.492 20 10 CGCDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894202815 619413379 /nfs/dbraw/zinc/41/33/79/619413379.db2.gz MHIAUUONBSVZQN-NEPJUHHUSA-N 1 0 251.370 3.233 20 10 CGCDRO Cc1ncsc1C[N@@H+](C)Cc1cc(C)cc(C)c1O ZINC000178891894 619429895 /nfs/dbraw/zinc/42/98/95/619429895.db2.gz GESOWUCPVYUUME-UHFFFAOYSA-N 1 0 276.405 3.406 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@@H]2CCc3c2cccc3O)c1O ZINC000894246145 619440099 /nfs/dbraw/zinc/44/00/99/619440099.db2.gz IBSAMHJMKWDWMT-OAHLLOKOSA-N 1 0 299.370 3.192 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C2CC3(C2)CO[C@@H](C)C3)c1 ZINC000894503184 619556440 /nfs/dbraw/zinc/55/64/40/619556440.db2.gz YROHQEOLKIPFQO-LZSIIWAZSA-N 1 0 291.391 3.009 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCc2ccc(C)nc2)c1 ZINC000185421654 625357046 /nfs/dbraw/zinc/35/70/46/625357046.db2.gz SJLJHNKBMYTMIY-CQSZACIVSA-N 1 0 270.376 3.297 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2C[C@H](C3CC3)[C@@H]2C2CC2)c1O ZINC000894904939 619679353 /nfs/dbraw/zinc/67/93/53/619679353.db2.gz BLOSSAGVEPIJKC-WBVHZDCISA-N 1 0 287.403 3.330 20 10 CGCDRO COc1ccc(C[N@@H+]2CC[C@@H](C3CCC3)C2)c(O)c1OC ZINC000894947277 619685988 /nfs/dbraw/zinc/68/59/88/619685988.db2.gz DWRSMGZPPFLZCJ-CYBMUJFWSA-N 1 0 291.391 3.031 20 10 CGCDRO Cc1cccc(C[NH+]2CCC(OC3CCC3)CC2)c1O ZINC000841888364 619815320 /nfs/dbraw/zinc/81/53/20/619815320.db2.gz HYMPRCIPPJDIKX-UHFFFAOYSA-N 1 0 275.392 3.234 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@H](c2nccs2)C1 ZINC000895585744 619854925 /nfs/dbraw/zinc/85/49/25/619854925.db2.gz ZBRWYYFNHZXWSP-JTQLQIEISA-N 1 0 294.807 3.492 20 10 CGCDRO CC1([NH+]2CCC2)CCN(Cc2cc(Cl)ccc2O)CC1 ZINC000895672023 619869428 /nfs/dbraw/zinc/86/94/28/619869428.db2.gz TZWXGVLERNAEMB-UHFFFAOYSA-N 1 0 294.826 3.106 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2nccc3c2CCCC3)c(O)c1 ZINC000896282086 619986167 /nfs/dbraw/zinc/98/61/67/619986167.db2.gz SOLULWMBFGKTFA-UHFFFAOYSA-N 1 0 282.387 3.264 20 10 CGCDRO CS[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2cc(F)ccc2O)C1 ZINC000230664562 620291975 /nfs/dbraw/zinc/29/19/75/620291975.db2.gz IYBCTDWFTVYMLI-MVWJERBFSA-N 1 0 269.385 3.466 20 10 CGCDRO C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1[O-] ZINC000841744133 620345342 /nfs/dbraw/zinc/34/53/42/620345342.db2.gz FIIYFVBTWHLNMT-UBHSHLNASA-N 1 0 294.826 3.323 20 10 CGCDRO Cc1ccc(C[NH2+]CCc2ccc(N)cc2)cc1F ZINC000841034743 620414689 /nfs/dbraw/zinc/41/46/89/620414689.db2.gz KBAASRIXRCFOPM-UHFFFAOYSA-N 1 0 258.340 3.049 20 10 CGCDRO Nc1ccc(CC[NH2+]C2CCN(c3ccccc3)CC2)cc1 ZINC000841034576 620414815 /nfs/dbraw/zinc/41/48/15/620414815.db2.gz HVXDXUSRTVMHOF-UHFFFAOYSA-N 1 0 295.430 3.070 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H](C)c2cncs2)cc1C ZINC000897935084 620452278 /nfs/dbraw/zinc/45/22/78/620452278.db2.gz RSODIAZZVQUOIL-NSHDSACASA-N 1 0 262.378 3.316 20 10 CGCDRO CCc1cccc(CN2CCC([NH2+]C3CCC3)CC2)c1O ZINC000897983073 620462309 /nfs/dbraw/zinc/46/23/09/620462309.db2.gz XTODWAIBNOJUFO-UHFFFAOYSA-N 1 0 288.435 3.061 20 10 CGCDRO C[C@H](C[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)C(C)(C)C ZINC000841043437 620540531 /nfs/dbraw/zinc/54/05/31/620540531.db2.gz RWXLLXRBWKHKHK-CZUORRHYSA-N 1 0 277.456 3.024 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000898516174 620595484 /nfs/dbraw/zinc/59/54/84/620595484.db2.gz NNWOETNWCKNQIR-GOEBONIOSA-N 1 0 275.392 3.031 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)C[C@H](O)c2ccco2)c1 ZINC000185835838 625463621 /nfs/dbraw/zinc/46/36/21/625463621.db2.gz NJUDAUZJXDJRCH-WWGRRREGSA-N 1 0 289.375 3.456 20 10 CGCDRO CCNc1ccccc1C[NH2+]Cc1ccccc1O ZINC000902156247 621174371 /nfs/dbraw/zinc/17/43/71/621174371.db2.gz MEWVLAWYVLSBDH-UHFFFAOYSA-N 1 0 256.349 3.114 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCN(C)[C@@H]2C)c1O ZINC000903301924 621668427 /nfs/dbraw/zinc/66/84/27/621668427.db2.gz UTHDOSAKSISIJP-WDMOLILDSA-N 1 0 282.815 3.097 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@H]32)c1O ZINC000903318921 621673849 /nfs/dbraw/zinc/67/38/49/621673849.db2.gz SNCNZHOQKQKRIZ-OIMNJJJWSA-N 1 0 261.365 3.240 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CCc2cccc(O)c21)c1cncs1 ZINC000903311325 621683902 /nfs/dbraw/zinc/68/39/02/621683902.db2.gz NREVVAUHJQIEFQ-KOLCDFICSA-N 1 0 260.362 3.187 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1COC[C@@H]1C1CC1)c1ccc(C)cc1O ZINC000903438200 621747480 /nfs/dbraw/zinc/74/74/80/621747480.db2.gz SRTXJFOEYIPXRX-OWCLPIDISA-N 1 0 275.392 3.166 20 10 CGCDRO C[C@H]([NH2+]CCN1CCC[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000156669701 622832687 /nfs/dbraw/zinc/83/26/87/622832687.db2.gz CQJVENBNDNTXBV-CVEARBPZSA-N 1 0 289.467 3.135 20 10 CGCDRO COc1ccc(N2CCC([NH2+][C@H](C)C3CCC3)CC2)cc1 ZINC000157379679 622899912 /nfs/dbraw/zinc/89/99/12/622899912.db2.gz AMONAYQQNJRBAQ-CQSZACIVSA-N 1 0 288.435 3.442 20 10 CGCDRO COc1cccc(C[NH2+][C@@H]2CC[C@H](C)C[C@@H]2C)c1O ZINC000226157184 622948948 /nfs/dbraw/zinc/94/89/48/622948948.db2.gz CRDVBMHOJCRZKO-SGMGOOAPSA-N 1 0 263.381 3.315 20 10 CGCDRO Cc1cc(C[N@H+]2CCOC[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000046477894 622976795 /nfs/dbraw/zinc/97/67/95/622976795.db2.gz AQTVQAZHNCFBIF-ZDUSSCGKSA-N 1 0 277.408 3.219 20 10 CGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@H]1CCC[C@@H](OC)C1 ZINC000226539256 622980503 /nfs/dbraw/zinc/98/05/03/622980503.db2.gz WZKUFOPHZOJEJZ-DLBZAZTESA-N 1 0 276.424 3.319 20 10 CGCDRO CC(C)Oc1ncccc1C[NH2+]Cc1cc(F)ccc1O ZINC000226581818 622984156 /nfs/dbraw/zinc/98/41/56/622984156.db2.gz IHMDVFPTACGKFP-UHFFFAOYSA-N 1 0 290.338 3.003 20 10 CGCDRO Cc1cccc(CC[NH2+]Cc2cc(F)ccc2O)c1 ZINC000226589408 622986254 /nfs/dbraw/zinc/98/62/54/622986254.db2.gz VVSCPIGZNDINJK-UHFFFAOYSA-N 1 0 259.324 3.172 20 10 CGCDRO C[C@H](C1CC1)[N@H+](C)Cc1cc(Br)ccc1O ZINC000158016772 622992761 /nfs/dbraw/zinc/99/27/61/622992761.db2.gz CXXUNRFEFLCNFH-SECBINFHSA-N 1 0 284.197 3.385 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCSC2)c1 ZINC000168814697 623015404 /nfs/dbraw/zinc/01/54/04/623015404.db2.gz WSEQCMZVWLWHNU-NWDGAFQWSA-N 1 0 251.395 3.247 20 10 CGCDRO C[C@H]1OCC[C@]1(C)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000230150818 623213937 /nfs/dbraw/zinc/21/39/37/623213937.db2.gz UFGFZXJQHWHNMJ-QAPCUYQASA-N 1 0 288.435 3.334 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@H]2C[C@@](C)(OC)C2(C)C)c1 ZINC000174136134 623365530 /nfs/dbraw/zinc/36/55/30/623365530.db2.gz QCCSFYVCHZQGFH-DOTOQJQBSA-N 1 0 293.407 3.084 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]Cc1cc(F)ccc1F ZINC000083494238 623423942 /nfs/dbraw/zinc/42/39/42/623423942.db2.gz XMQJQQSPDVEQNL-UHFFFAOYSA-N 1 0 267.250 3.099 20 10 CGCDRO CC[C@H](C)C[C@H](C)[NH2+]Cc1cc(OC)ccc1O ZINC000088293926 623426093 /nfs/dbraw/zinc/42/60/93/623426093.db2.gz DJNLKEYFQMWATK-RYUDHWBXSA-N 1 0 251.370 3.315 20 10 CGCDRO CC[C@H](C)[C@@](C)(O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000765948089 624034507 /nfs/dbraw/zinc/03/45/07/624034507.db2.gz ZJXXFELULMWHMZ-VBQJREDUSA-N 1 0 278.440 3.200 20 10 CGCDRO COc1cccc(C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)c1O ZINC000155094949 624425546 /nfs/dbraw/zinc/42/55/46/624425546.db2.gz QRKQOLOMXDIEGY-INIZCTEOSA-N 1 0 297.398 3.465 20 10 CGCDRO COc1ccc(O)c(C[N@H+](C)Cc2ccc(C)cc2)c1 ZINC000179563916 624666211 /nfs/dbraw/zinc/66/62/11/624666211.db2.gz RYTOZBYXBPRCDA-UHFFFAOYSA-N 1 0 271.360 3.341 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@](C)(CO)c2ccccc2)cc1C ZINC000237762155 624683306 /nfs/dbraw/zinc/68/33/06/624683306.db2.gz KBIOEMRIMFGTDF-SFHVURJKSA-N 1 0 285.387 3.006 20 10 CGCDRO C[C@H]([NH2+]CCCOCC(F)(F)F)c1ccccc1O ZINC000179884093 624694693 /nfs/dbraw/zinc/69/46/93/624694693.db2.gz AKXYHRHVDJJHAZ-JTQLQIEISA-N 1 0 277.286 3.012 20 10 CGCDRO C[C@@H](c1cccc(O)c1)[N@H+](C)Cc1cc(F)ccc1O ZINC000180135325 624721372 /nfs/dbraw/zinc/72/13/72/624721372.db2.gz QHPYWIARAWHJDX-NSHDSACASA-N 1 0 275.323 3.430 20 10 CGCDRO CC[C@@H]([NH2+]CC1(OC)CCC1)c1ccc(N(C)C)cc1 ZINC000180194225 624725980 /nfs/dbraw/zinc/72/59/80/624725980.db2.gz ZKHVXPRFBYNNAD-MRXNPFEDSA-N 1 0 276.424 3.362 20 10 CGCDRO Oc1ccccc1C[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000238103095 624734300 /nfs/dbraw/zinc/73/43/00/624734300.db2.gz PISBZAVOSYRQMJ-HZPDHXFCSA-N 1 0 253.345 3.286 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1O)c1ccc(N2CCCCC2)cc1 ZINC000181061710 624801962 /nfs/dbraw/zinc/80/19/62/624801962.db2.gz MDWSYVHKESQMRT-WBAXXEDZSA-N 1 0 288.435 3.241 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CCOC2CCCCC2)cc1 ZINC000070168106 624971818 /nfs/dbraw/zinc/97/18/18/624971818.db2.gz UJXSMQXKTCTCMC-UHFFFAOYSA-N 1 0 276.424 3.192 20 10 CGCDRO CC(C)Oc1ccc(C[NH2+][C@@H](C)c2ccccc2O)cn1 ZINC000183425382 625070453 /nfs/dbraw/zinc/07/04/53/625070453.db2.gz GSFOKINGKZTYGZ-ZDUSSCGKSA-N 1 0 286.375 3.425 20 10 CGCDRO COc1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2C)c1O ZINC000184672466 625261669 /nfs/dbraw/zinc/26/16/69/625261669.db2.gz YTRBYQLBCTUBBM-JTQLQIEISA-N 1 0 269.772 3.429 20 10 CGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C)C2)c1O ZINC000184671953 625262067 /nfs/dbraw/zinc/26/20/67/625262067.db2.gz GTUVKYOOSQSING-SNVBAGLBSA-N 1 0 269.772 3.286 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)c1cc(C)ccc1O)[C@@H]1CCCO1 ZINC000186181737 625734883 /nfs/dbraw/zinc/73/48/83/625734883.db2.gz LHZPATJHEVWPCV-NOLJZWGESA-N 1 0 263.381 3.309 20 10 CGCDRO Cc1noc(C)c1[C@H](C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921741455 625859682 /nfs/dbraw/zinc/85/96/82/625859682.db2.gz HWRAMAFZFJCGST-NSHDSACASA-N 1 0 286.375 3.467 20 10 CGCDRO c1cc2c(cc1C[NH2+][C@@H]1CCOC3(CCC3)C1)CCCO2 ZINC000921859669 625913828 /nfs/dbraw/zinc/91/38/28/625913828.db2.gz YYGCQRPPIIYZAR-MRXNPFEDSA-N 1 0 287.403 3.203 20 10 CGCDRO COCC1(CC[NH2+]Cc2ccc3c(c2)CCCO3)CCC1 ZINC000922149243 625972997 /nfs/dbraw/zinc/97/29/97/625972997.db2.gz NWFVFLZFYGJFNK-UHFFFAOYSA-N 1 0 289.419 3.308 20 10 CGCDRO COCC(C)(C)CC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922324055 625997648 /nfs/dbraw/zinc/99/76/48/625997648.db2.gz JWBKINQVSJAVTN-UHFFFAOYSA-N 1 0 277.408 3.164 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)CCS1 ZINC000922836216 626053585 /nfs/dbraw/zinc/05/35/85/626053585.db2.gz KSFYWUCWCQOZSC-DGCLKSJQSA-N 1 0 282.428 3.265 20 10 CGCDRO CC(C)[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1cnn(C)c1 ZINC000922890800 626070135 /nfs/dbraw/zinc/07/01/35/626070135.db2.gz PCIFDEWZOWRLER-GOSISDBHSA-N 1 0 299.418 3.232 20 10 CGCDRO CC[C@H]1C[N@H+](Cc2cc(C(C)C)c(C)cc2O)CCO1 ZINC000074068105 626086682 /nfs/dbraw/zinc/08/66/82/626086682.db2.gz YIFSOWGROWQVDV-HNNXBMFYSA-N 1 0 277.408 3.435 20 10 CGCDRO c1cc2c(c(C[NH2+]Cc3ccc4c(c3)CCCO4)c1)OCC2 ZINC000922940898 626103944 /nfs/dbraw/zinc/10/39/44/626103944.db2.gz GZKZURAPJXNNAY-UHFFFAOYSA-N 1 0 295.382 3.236 20 10 CGCDRO Cc1ccc(O)c(C[NH+]2CC(C)(CC(F)(F)F)C2)c1 ZINC000839144714 626316937 /nfs/dbraw/zinc/31/69/37/626316937.db2.gz JVFKWHWPRXUBPU-UHFFFAOYSA-N 1 0 273.298 3.475 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H]2C[C@@H](OC(C)C)C2)cc1C ZINC000839148006 626317523 /nfs/dbraw/zinc/31/75/23/626317523.db2.gz TVTXMKSLWKEQHR-GASCZTMLSA-N 1 0 263.381 3.055 20 10 CGCDRO CCOc1ccc(CN2Cc3cccc(F)c3C2)c(O)c1 ZINC000839178369 626325719 /nfs/dbraw/zinc/32/57/19/626325719.db2.gz BSQLYFAOEKUBKE-UHFFFAOYSA-N 1 0 287.334 3.446 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)cc1 ZINC000839187699 626327994 /nfs/dbraw/zinc/32/79/94/626327994.db2.gz MOJIZNXSRZFJMG-AEFFLSMTSA-N 1 0 288.435 3.144 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCOC[C@H](C)C2)cc1C(C)C ZINC000753987271 626470873 /nfs/dbraw/zinc/47/08/73/626470873.db2.gz QAWNPSIMISOMKS-CYBMUJFWSA-N 1 0 277.408 3.292 20 10 CGCDRO CSCC[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756351857 626695205 /nfs/dbraw/zinc/69/52/05/626695205.db2.gz OYVNYBJABJQVPZ-SCZZXKLOSA-N 1 0 255.358 3.032 20 10 CGCDRO CCC[NH+]1CCC([NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])CC1 ZINC000756359024 626695728 /nfs/dbraw/zinc/69/57/28/626695728.db2.gz CCAHJEXPLPSPNN-NSHDSACASA-N 1 0 298.377 3.195 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCN2CCc3ccccc32)c1 ZINC000756482879 626708788 /nfs/dbraw/zinc/70/87/88/626708788.db2.gz JUACZZMPZAIRJG-OAHLLOKOSA-N 1 0 296.414 3.414 20 10 CGCDRO CC(C)C[C@H](O)C[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000756497995 626710080 /nfs/dbraw/zinc/71/00/80/626710080.db2.gz SAMMNBDNXGBTDM-JQWIXIFHSA-N 1 0 271.788 3.103 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cc(F)ccc1O ZINC000756514129 626711314 /nfs/dbraw/zinc/71/13/14/626711314.db2.gz DZXRETDCAYPLHO-NSHDSACASA-N 1 0 287.334 3.317 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CC2(O)CCCCC2)c(O)c1C ZINC000756513088 626711488 /nfs/dbraw/zinc/71/14/88/626711488.db2.gz CAEUIQVIHSLSIQ-AWEZNQCLSA-N 1 0 277.408 3.355 20 10 CGCDRO CCn1nc(C)c(C[NH2+][C@H](C)c2cc(C)ccc2O)c1C ZINC000756532819 626712478 /nfs/dbraw/zinc/71/24/78/626712478.db2.gz CWMPAUFBXFKROD-GFCCVEGCSA-N 1 0 287.407 3.385 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CCOC2)c2c1c(F)ccc2O ZINC000756573552 626717156 /nfs/dbraw/zinc/71/71/56/626717156.db2.gz KUZLAJJNLBNZOI-NSODJVPESA-N 1 0 279.355 3.096 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C)c1ccn(C)n1 ZINC000756587062 626718839 /nfs/dbraw/zinc/71/88/39/626718839.db2.gz WGAIGOWPDIMZEK-MRXNPFEDSA-N 1 0 286.423 3.035 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[C@@H](O)C2)c(O)c1C ZINC000756603263 626719975 /nfs/dbraw/zinc/71/99/75/626719975.db2.gz AARZULRVKGZILE-RRFJBIMHSA-N 1 0 277.408 3.211 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCN2CC[C@@H](C)C2)c(O)c1C ZINC000756627386 626721180 /nfs/dbraw/zinc/72/11/80/626721180.db2.gz HYFMKZKISOOVBR-DOMZBBRYSA-N 1 0 276.424 3.001 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2csc(N(C)C)n2)c1 ZINC000756637049 626722813 /nfs/dbraw/zinc/72/28/13/626722813.db2.gz LKLUHNWEWMDHAY-NSHDSACASA-N 1 0 291.420 3.074 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C[C@@H]2CCOC2)c(O)c1C ZINC000756644706 626724027 /nfs/dbraw/zinc/72/40/27/626724027.db2.gz BIIJMNIVHJMKCX-SNPRPXQTSA-N 1 0 277.408 3.475 20 10 CGCDRO CO[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)C1(C)C ZINC000756646725 626724330 /nfs/dbraw/zinc/72/43/30/626724330.db2.gz DAKPQZUNDMTNEP-DGFQIJBJSA-N 1 0 293.382 3.483 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]CCc2ccncc2)c2c1c(F)ccc2O ZINC000756660088 626725295 /nfs/dbraw/zinc/72/52/95/626725295.db2.gz RRXDVRONWLEGSP-RISCZKNCSA-N 1 0 286.350 3.307 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc3c2OCCO3)c1 ZINC000756702636 626727161 /nfs/dbraw/zinc/72/71/61/626727161.db2.gz BPJRUZVPBGWWRB-CYBMUJFWSA-N 1 0 299.370 3.323 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCSC2)c(O)c1C ZINC000756732945 626728176 /nfs/dbraw/zinc/72/81/76/626728176.db2.gz NZQUWNIAYOONHY-NWDGAFQWSA-N 1 0 251.395 3.165 20 10 CGCDRO C[C@@H]([NH2+][C@@H](CCO)C1CC1)c1ccc2ccccc2c1O ZINC000756741218 626729376 /nfs/dbraw/zinc/72/93/76/626729376.db2.gz WENKATMBRZPDJN-PXAZEXFGSA-N 1 0 285.387 3.357 20 10 CGCDRO C[C@H]([NH2+][C@@H](CO)CC(F)(F)F)c1cc(Cl)ccc1O ZINC000756775362 626731510 /nfs/dbraw/zinc/73/15/10/626731510.db2.gz HDUYVLURPCDCME-IONNQARKSA-N 1 0 297.704 3.010 20 10 CGCDRO C[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])c1ccc[nH]1 ZINC000756784457 626732053 /nfs/dbraw/zinc/73/20/53/626732053.db2.gz NLITVJYYRRXMJA-IUCAKERBSA-N 1 0 266.291 3.410 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCc2ccc(CO)cc2)c(O)c1 ZINC000756792154 626733001 /nfs/dbraw/zinc/73/30/01/626733001.db2.gz YXWQSFYGJXTFLJ-CQSZACIVSA-N 1 0 285.387 3.086 20 10 CGCDRO CCc1ccc(C[NH2+][C@H](C)c2cc(OC)ccc2O)nc1 ZINC000839540394 626760372 /nfs/dbraw/zinc/76/03/72/626760372.db2.gz USVJLNBTQOOAGG-GFCCVEGCSA-N 1 0 286.375 3.209 20 10 CGCDRO C[C@H](O)C[C@H](C)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000757659087 626798393 /nfs/dbraw/zinc/79/83/93/626798393.db2.gz YHZLITVQFYWJSW-AVGNSLFASA-N 1 0 277.408 3.081 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H](c2cccnc2)C2CC2)c1 ZINC000758630027 626852002 /nfs/dbraw/zinc/85/20/02/626852002.db2.gz DICCMTCJSKFMSX-QGZVFWFLSA-N 1 0 268.360 3.337 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCOCC3(CCC3)C2)c1 ZINC000758972217 626868468 /nfs/dbraw/zinc/86/84/68/626868468.db2.gz DGJZDFBZZAKTDB-UHFFFAOYSA-N 1 0 275.392 3.012 20 10 CGCDRO COc1cccc(O)c1C[NH2+]C1CCC(F)(F)CC1 ZINC000761336071 627034116 /nfs/dbraw/zinc/03/41/16/627034116.db2.gz HDQPHLOCYUFVPD-UHFFFAOYSA-N 1 0 271.307 3.068 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](C)C[C@H](O)c2ccco2)cc1C ZINC000763525279 627163386 /nfs/dbraw/zinc/16/33/86/627163386.db2.gz WDZIAAINGLESQM-ZFWWWQNUSA-N 1 0 289.375 3.198 20 10 CGCDRO C[C@@H]([NH2+]CCOCC1CCC1)c1ccc(N(C)C)cc1 ZINC000765812769 627273174 /nfs/dbraw/zinc/27/31/74/627273174.db2.gz ZDFBSPDGNWKUJX-CQSZACIVSA-N 1 0 276.424 3.220 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@]1(C)CCOC1)c1ccc(N(C)C)cc1 ZINC000765961247 627281829 /nfs/dbraw/zinc/28/18/29/627281829.db2.gz ZEIHMEZSWLGCPE-IAGOWNOFSA-N 1 0 276.424 3.220 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]C[C@@H]1CCCCN1C1CC1 ZINC000766227072 627305591 /nfs/dbraw/zinc/30/55/91/627305591.db2.gz XITKOJFVGBVBAG-ZDUSSCGKSA-N 1 0 294.826 3.152 20 10 CGCDRO COc1ccc(C[NH2+]C[C@@]2(C)CCO[C@@H]2C2CC2)cc1C ZINC000767196209 627389263 /nfs/dbraw/zinc/38/92/63/627389263.db2.gz UMJOMQVKRLPGDB-QZTJIDSGSA-N 1 0 289.419 3.298 20 10 CGCDRO COc1ccc(C[NH2+]C[C@]2(C)CCO[C@H]2C2CC2)cc1C ZINC000767196210 627389272 /nfs/dbraw/zinc/38/92/72/627389272.db2.gz UMJOMQVKRLPGDB-ROUUACIJSA-N 1 0 289.419 3.298 20 10 CGCDRO Oc1ccccc1C[N@H+](Cc1cn[nH]c1)C1CCCCC1 ZINC000768132761 627461796 /nfs/dbraw/zinc/46/17/96/627461796.db2.gz JZKQCTFEAIKNHN-UHFFFAOYSA-N 1 0 285.391 3.450 20 10 CGCDRO CCOc1ccc(C[N@H+](C)CCC(C)C)c(O)c1 ZINC000768263597 627471602 /nfs/dbraw/zinc/47/16/02/627471602.db2.gz VFCXTQJCRHXHPG-UHFFFAOYSA-N 1 0 251.370 3.269 20 10 CGCDRO COc1cc(C[N@H+](C)[C@@H](C)C2(C)CC2)c(O)cc1C ZINC000768463752 627481245 /nfs/dbraw/zinc/48/12/45/627481245.db2.gz LUAGOXBIPXKYBX-LBPRGKRZSA-N 1 0 263.381 3.330 20 10 CGCDRO CC[C@@]1(C)CC[N@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000768463026 627481356 /nfs/dbraw/zinc/48/13/56/627481356.db2.gz FBRVJHMDAUXJKP-INIZCTEOSA-N 1 0 263.381 3.331 20 10 CGCDRO CC(C)O[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2O)C1(C)C ZINC000768524875 627483679 /nfs/dbraw/zinc/48/36/79/627483679.db2.gz RASHZFMMIXQNJP-HUUCEWRRSA-N 1 0 281.371 3.213 20 10 CGCDRO CCOc1ccc(C[N@H+](C)CC(C)(C)C)c(O)c1 ZINC000768937052 627510077 /nfs/dbraw/zinc/51/00/77/627510077.db2.gz KTPSZJZIJQOPNW-UHFFFAOYSA-N 1 0 251.370 3.269 20 10 CGCDRO COc1cccc(C[N@H+](C)CCc2ccccc2F)c1O ZINC000769020837 627518304 /nfs/dbraw/zinc/51/83/04/627518304.db2.gz GVLQZVZMZLZULW-UHFFFAOYSA-N 1 0 289.350 3.214 20 10 CGCDRO Cc1ccc(O)c(C[N@H+]2CCN(C)CC23CCCCC3)c1 ZINC000769548135 627565006 /nfs/dbraw/zinc/56/50/06/627565006.db2.gz FPRNODABNCTZCB-UHFFFAOYSA-N 1 0 288.435 3.151 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCCC3(CC3)C2)cc1F ZINC000770677082 627636836 /nfs/dbraw/zinc/63/68/36/627636836.db2.gz VQBHRWFRTDCSIJ-UHFFFAOYSA-N 1 0 262.372 3.268 20 10 CGCDRO Cc1cccc(NCC[NH2+][C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000773043253 627845496 /nfs/dbraw/zinc/84/54/96/627845496.db2.gz NDBPCUHTJWXDHJ-OAHLLOKOSA-N 1 0 298.434 3.219 20 10 CGCDRO COc1ccc(N2CCC([NH2+][C@@H](C)c3ccc[nH]3)CC2)cc1 ZINC000773115667 627857722 /nfs/dbraw/zinc/85/77/22/627857722.db2.gz GYKHSGUVKUFUKB-AWEZNQCLSA-N 1 0 299.418 3.343 20 10 CGCDRO COCC1(C)CC[NH+](Cc2cc3c(cc2O)CCC3)CC1 ZINC000773269686 627870465 /nfs/dbraw/zinc/87/04/65/627870465.db2.gz DYDXWLJNCSNOSM-UHFFFAOYSA-N 1 0 289.419 3.129 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@]2(C)CCCO)cc1 ZINC000773825122 627917738 /nfs/dbraw/zinc/91/77/38/627917738.db2.gz WOJKJAGMQHITHH-SFHVURJKSA-N 1 0 290.451 3.270 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@](CC)(CO)C2)cc1 ZINC000773862878 627921307 /nfs/dbraw/zinc/92/13/07/627921307.db2.gz KGHKMBLRGGPOJV-GOSISDBHSA-N 1 0 290.451 3.127 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H]1CCCCN1C1CC1)c1ccccc1O ZINC000774379086 627984255 /nfs/dbraw/zinc/98/42/55/627984255.db2.gz NMMGQPIBVLJDHB-NVXWUHKLSA-N 1 0 288.435 3.450 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCOCC[C@H]2C)cc1C(C)C ZINC000774660786 628013427 /nfs/dbraw/zinc/01/34/27/628013427.db2.gz PUHDTMLFISPYIT-CQSZACIVSA-N 1 0 277.408 3.435 20 10 CGCDRO Cc1nc2ccccn2c1C[NH2+][C@H](C)c1ccccc1O ZINC000775130702 628066261 /nfs/dbraw/zinc/06/62/61/628066261.db2.gz NYCPKLKFQUIFPZ-GFCCVEGCSA-N 1 0 281.359 3.199 20 10 CGCDRO C[C@H]([NH2+]Cc1cccc2c1OCCO2)c1ccccc1O ZINC000775131154 628066556 /nfs/dbraw/zinc/06/65/56/628066556.db2.gz SFRLDFGIYFUJTD-LBPRGKRZSA-N 1 0 285.343 3.014 20 10 CGCDRO CCCN(Cc1ccc(C)cn1)c1ccc(C[NH3+])cc1 ZINC000775141200 628067435 /nfs/dbraw/zinc/06/74/35/628067435.db2.gz YUKOMACCILWFOR-UHFFFAOYSA-N 1 0 269.392 3.265 20 10 CGCDRO CCOc1ccc(C[NH2+]CCCCCSC)c(O)c1 ZINC000775360994 628086090 /nfs/dbraw/zinc/08/60/90/628086090.db2.gz OAOJLFFCDQFJIL-UHFFFAOYSA-N 1 0 283.437 3.414 20 10 CGCDRO CCCn1cc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000775363903 628086152 /nfs/dbraw/zinc/08/61/52/628086152.db2.gz NJLUTLUJISHCJY-CQSZACIVSA-N 1 0 286.423 3.210 20 10 CGCDRO CC(C)C[C@H]1OCCC[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000775370235 628087263 /nfs/dbraw/zinc/08/72/63/628087263.db2.gz MIQDRJKYNGCEAA-ZWKOTPCHSA-N 1 0 290.451 3.436 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H]2Cc2ccccc2)c1 ZINC000775725496 628128996 /nfs/dbraw/zinc/12/89/96/628128996.db2.gz PHLIATVWLMVRJG-MRXNPFEDSA-N 1 0 283.371 3.218 20 10 CGCDRO Cc1cc(Cl)cc(C[N@H+](C)Cc2ccc[nH]2)c1O ZINC000775734605 628129999 /nfs/dbraw/zinc/12/99/99/628129999.db2.gz SJTJKRYZYDEPBB-UHFFFAOYSA-N 1 0 264.756 3.314 20 10 CGCDRO C[C@H](C[NH2+]Cc1c(O)cccc1Cl)N1CCCC[C@H]1C ZINC000775986812 628155848 /nfs/dbraw/zinc/15/58/48/628155848.db2.gz JIROCWBKXFMSLV-CHWSQXEVSA-N 1 0 296.842 3.398 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H](C)COc2ccccc2)c1O ZINC000776174591 628175761 /nfs/dbraw/zinc/17/57/61/628175761.db2.gz ORALGPOBSIABSP-AWEZNQCLSA-N 1 0 271.360 3.258 20 10 CGCDRO COCCC(C)(C)[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000776231119 628183004 /nfs/dbraw/zinc/18/30/04/628183004.db2.gz MCRJPJAVRGGSSZ-UHFFFAOYSA-N 1 0 271.788 3.259 20 10 CGCDRO CO[C@@H]1CCC[C@H]1C[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000776255704 628185405 /nfs/dbraw/zinc/18/54/05/628185405.db2.gz GURBYNMHUBXNBZ-SMDDNHRTSA-N 1 0 283.799 3.259 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1)C(C)(C)O ZINC000776903376 628239818 /nfs/dbraw/zinc/23/98/18/628239818.db2.gz XPWVNSINXYSIHV-LSDHHAIUSA-N 1 0 290.451 3.487 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]1C1CCOCC1 ZINC000777439899 628270347 /nfs/dbraw/zinc/27/03/47/628270347.db2.gz QIYJIKRQKOQHSO-OAHLLOKOSA-N 1 0 295.810 3.437 20 10 CGCDRO Cc1cccc(C[NH2+][C@@]2(CO)C[C@H](C)CC(C)(C)C2)c1O ZINC000777482877 628275196 /nfs/dbraw/zinc/27/51/96/628275196.db2.gz CWNRWJVDQKREJG-ACJLOTCBSA-N 1 0 291.435 3.368 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc(F)cn1 ZINC000779044922 628385388 /nfs/dbraw/zinc/38/53/88/628385388.db2.gz HSSBLPRBCLARJH-OAHLLOKOSA-N 1 0 286.350 3.397 20 10 CGCDRO C[N@@H+](Cc1c(O)cccc1Cl)C[C@@H]1CCCC[C@H]1O ZINC000779152512 628391147 /nfs/dbraw/zinc/39/11/47/628391147.db2.gz BBSJGTUWQZBJJG-SMDDNHRTSA-N 1 0 283.799 3.029 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H]([C@@H](C)O)C2)cc1 ZINC000780892977 628522772 /nfs/dbraw/zinc/52/27/72/628522772.db2.gz SKETXDZULFNSIS-WBVHZDCISA-N 1 0 290.451 3.126 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC=CO2)c(O)c1C ZINC000783312054 628702975 /nfs/dbraw/zinc/70/29/75/628702975.db2.gz ZGMTUKJWKCVRCA-UONOGXRCSA-N 1 0 261.365 3.352 20 10 CGCDRO CCOC(C)(C)C[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000783313431 628703122 /nfs/dbraw/zinc/70/31/22/628703122.db2.gz RDAXMPDQKLJZLZ-JQWIXIFHSA-N 1 0 281.371 3.484 20 10 CGCDRO C[C@H]([NH2+]C[C@]1(O)CCCc2ccccc21)c1ccccc1O ZINC000783511049 628719381 /nfs/dbraw/zinc/71/93/81/628719381.db2.gz WVKGUAJLOLYPNT-IFXJQAMLSA-N 1 0 297.398 3.267 20 10 CGCDRO Cc1ncc(CC[NH2+][C@@H](C)c2ccccc2O)s1 ZINC000783517240 628720302 /nfs/dbraw/zinc/72/03/02/628720302.db2.gz GXNFWWLLORSFDJ-JTQLQIEISA-N 1 0 262.378 3.050 20 10 CGCDRO COC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccccc1O ZINC000783515840 628720332 /nfs/dbraw/zinc/72/03/32/628720332.db2.gz CGOCGUDPGWGQLG-GOEBONIOSA-N 1 0 285.387 3.301 20 10 CGCDRO C[C@@H](C[NH2+][C@H](C)c1ccccc1O)c1ccncc1 ZINC000783521399 628720900 /nfs/dbraw/zinc/72/09/00/628720900.db2.gz WYEYSAXZRFHIEU-QWHCGFSZSA-N 1 0 256.349 3.242 20 10 CGCDRO Cc1cccc(C[N@H+]2Cc3ccccc3OC[C@@H]2C)c1O ZINC000783598438 628730431 /nfs/dbraw/zinc/73/04/31/628730431.db2.gz RODRQSFHSKBSGD-AWEZNQCLSA-N 1 0 283.371 3.484 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]CC[C@H]2CCO[C@H](C)C2)c1 ZINC000784643583 628827096 /nfs/dbraw/zinc/82/70/96/628827096.db2.gz LYBPRBKZNAGTFU-KGLIPLIRSA-N 1 0 293.407 3.086 20 10 CGCDRO C[C@@H]1C[C@H](CC[NH2+]Cc2cc(Cl)ccc2O)CCO1 ZINC000784643681 628827264 /nfs/dbraw/zinc/82/72/64/628827264.db2.gz NRFQYZMATKPUGL-VXGBXAGGSA-N 1 0 283.799 3.340 20 10 CGCDRO C[C@@H](CCNCc1c(O)cccc1Cl)[NH+]1CCCCC1 ZINC000784669867 628828410 /nfs/dbraw/zinc/82/84/10/628828410.db2.gz BLDQCTAYHPAXQW-ZDUSSCGKSA-N 1 0 296.842 3.400 20 10 CGCDRO CN(C)c1ccc(C[NH+]2CC(C)(C)OC(C)(C)C2)cc1F ZINC000785987850 628905925 /nfs/dbraw/zinc/90/59/25/628905925.db2.gz COSVCMSHWOZKIL-UHFFFAOYSA-N 1 0 294.414 3.281 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCc3ccccc3OC2)cc1 ZINC000786782604 628963058 /nfs/dbraw/zinc/96/30/58/628963058.db2.gz HUBQOAUDPUWYMU-QGZVFWFLSA-N 1 0 296.414 3.236 20 10 CGCDRO CO[C@@H](CC[NH2+]Cc1c(O)cccc1Cl)C(F)(F)F ZINC000786824187 628966406 /nfs/dbraw/zinc/96/64/06/628966406.db2.gz SJWRGJMQVNEIDV-NSHDSACASA-N 1 0 297.704 3.103 20 10 CGCDRO CO[C@H](CC[NH2+][C@@H](C)c1ccc(C)cc1O)C(F)(F)F ZINC000786950343 628972232 /nfs/dbraw/zinc/97/22/32/628972232.db2.gz OHCRUDIBSHVAEV-GXFFZTMASA-N 1 0 291.313 3.319 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@](C)(O)C(C)C)c(O)c1 ZINC000788590201 629066821 /nfs/dbraw/zinc/06/68/21/629066821.db2.gz FIPZHRTWECOIBS-CZUORRHYSA-N 1 0 265.397 3.067 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc2ccccc2c1O)c1ncnn1C ZINC000788983248 629093868 /nfs/dbraw/zinc/09/38/68/629093868.db2.gz KYYZRRZIRLPASY-NWDGAFQWSA-N 1 0 296.374 3.086 20 10 CGCDRO C[C@@H]([NH2+]C[C@H](O)CC1CCCC1)c1ccc(N(C)C)cc1 ZINC000789388806 629129357 /nfs/dbraw/zinc/12/93/57/629129357.db2.gz RFMMLUAPHQEMBM-RDTXWAMCSA-N 1 0 290.451 3.344 20 10 CGCDRO C[N@H+](Cc1ccnn1-c1ccccc1)Cc1ccccc1O ZINC000790902734 629240238 /nfs/dbraw/zinc/24/02/38/629240238.db2.gz PKUXAGVCAQMWGD-UHFFFAOYSA-N 1 0 293.370 3.210 20 10 CGCDRO C[C@H](O)C[C@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000790934635 629242250 /nfs/dbraw/zinc/24/22/50/629242250.db2.gz PVOABYWPTTUSLX-SMDDNHRTSA-N 1 0 283.799 3.171 20 10 CGCDRO CCC[N@H+](Cc1cccc(C)c1O)[C@@H](CC)C(=O)OCC ZINC000792184527 629345944 /nfs/dbraw/zinc/34/59/44/629345944.db2.gz BTDQCZSXZOWUKW-HNNXBMFYSA-N 1 0 293.407 3.254 20 10 CGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)CC1(F)CC1 ZINC000792759909 629378818 /nfs/dbraw/zinc/37/88/18/629378818.db2.gz HRMLCZBVSOULBY-UHFFFAOYSA-N 1 0 250.361 3.077 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)c1O ZINC000862473314 629384185 /nfs/dbraw/zinc/38/41/85/629384185.db2.gz NRDIWOHZLBXVDQ-KGLIPLIRSA-N 1 0 293.432 3.261 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+][C@@H](CO)CCC(C)C)c1O ZINC000862480234 629384685 /nfs/dbraw/zinc/38/46/85/629384685.db2.gz ADVXOLZHEHOCTI-CQSZACIVSA-N 1 0 285.815 3.241 20 10 CGCDRO Oc1c(C[N@@H+]2CCO[C@H](CCF)C2)ccc2ccccc21 ZINC000862529418 629391007 /nfs/dbraw/zinc/39/10/07/629391007.db2.gz DRCJCUHEFWSYCS-OAHLLOKOSA-N 1 0 289.350 3.106 20 10 CGCDRO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cc(F)ccc1O ZINC000793231038 629433078 /nfs/dbraw/zinc/43/30/78/629433078.db2.gz JMPKZKMJGYSETK-KWQFWETISA-N 1 0 277.261 3.304 20 10 CGCDRO Cc1cccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)c1O ZINC000793230594 629433537 /nfs/dbraw/zinc/43/35/37/629433537.db2.gz GWKOFLHYQZRHTI-CMPLNLGQSA-N 1 0 273.298 3.473 20 10 CGCDRO COC1(C[NH2+]Cc2cccc(C)c2O)CCC(C)CC1 ZINC000793290907 629440725 /nfs/dbraw/zinc/44/07/25/629440725.db2.gz JBBTUEACWNXXFE-UHFFFAOYSA-N 1 0 277.408 3.386 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]C[C@H]2CC[C@H](C)C2)c1 ZINC000793346843 629445905 /nfs/dbraw/zinc/44/59/05/629445905.db2.gz NCGBXPTUGWCLOL-STQMWFEESA-N 1 0 263.381 3.317 20 10 CGCDRO COc1cc(O)c(C[N@H+](CC2CC2)C2CCC2)cc1OC ZINC000793395174 629453861 /nfs/dbraw/zinc/45/38/61/629453861.db2.gz QCLDYAVGYBYBHB-UHFFFAOYSA-N 1 0 291.391 3.174 20 10 CGCDRO CC[C@@H]([NH2+]CCC1(O)CCC1)c1cc(Cl)ccc1O ZINC000793567052 629484793 /nfs/dbraw/zinc/48/47/93/629484793.db2.gz XBJUQONYMXLGLQ-CYBMUJFWSA-N 1 0 283.799 3.391 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)c1O ZINC000793610721 629490385 /nfs/dbraw/zinc/49/03/85/629490385.db2.gz WTSQEKXVVCJHLD-LSDHHAIUSA-N 1 0 295.810 3.497 20 10 CGCDRO CC[C@@H]([NH2+]CCN(C)[C@@H](C)CC)c1ccc(C)cc1O ZINC000794801737 629578484 /nfs/dbraw/zinc/57/84/84/629578484.db2.gz BDHRTYLFPVXCQT-GOEBONIOSA-N 1 0 278.440 3.472 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)[C@H]1CCOC1)c1ccc(C)cc1O ZINC000794803737 629579364 /nfs/dbraw/zinc/57/93/64/629579364.db2.gz SQOQFDGYBHYKKM-YDHLFZDLSA-N 1 0 263.381 3.166 20 10 CGCDRO CN(C)c1cc(F)c(CN2CCC(C)(F)CC2)cc1F ZINC000864050800 629743814 /nfs/dbraw/zinc/74/38/14/629743814.db2.gz QZVCIUXIVSNLOX-UHFFFAOYSA-N 1 0 286.341 3.355 20 10 CGCDRO CO[C@H]1CC[C@@H](C)[N@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000864054545 629749426 /nfs/dbraw/zinc/74/94/26/629749426.db2.gz URRKRUCOJSNPLX-YPMHNXCESA-N 1 0 298.377 3.030 20 10 CGCDRO Cc1ccc2c(c1)C[N@H+](Cc1ccc(N(C)C)cc1)CCO2 ZINC000796430536 629779921 /nfs/dbraw/zinc/77/99/21/629779921.db2.gz MAWIWAHDVOGJFU-UHFFFAOYSA-N 1 0 296.414 3.456 20 10 CGCDRO COc1cccc(O)c1C[NH2+]Cc1ccc2[nH]c(C)cc2c1 ZINC000796528259 629795227 /nfs/dbraw/zinc/79/52/27/629795227.db2.gz REDOJADGKKVYMC-UHFFFAOYSA-N 1 0 296.370 3.480 20 10 CGCDRO CCOc1cccc(C[N@H+](C)Cc2ccsc2)c1O ZINC000120468602 630040400 /nfs/dbraw/zinc/04/04/00/630040400.db2.gz FYCZNDNKRALFAK-UHFFFAOYSA-N 1 0 277.389 3.484 20 10 CGCDRO CN(C)c1ccc(C[NH2+]Cc2cnc(Cl)c(F)c2)cc1 ZINC000865404623 630106032 /nfs/dbraw/zinc/10/60/32/630106032.db2.gz OJNSBJVGDWWDGQ-UHFFFAOYSA-N 1 0 293.773 3.230 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(C(F)F)nc2)c1 ZINC000865641065 630243404 /nfs/dbraw/zinc/24/34/04/630243404.db2.gz RZBCUCGWFGZIKA-UHFFFAOYSA-N 1 0 278.302 3.323 20 10 CGCDRO CC(C)OC[C@@H](C)[NH2+]CCCSc1nccs1 ZINC000800240884 630255141 /nfs/dbraw/zinc/25/51/41/630255141.db2.gz WDWQPMBIYYGEIR-LLVKDONJSA-N 1 0 274.455 3.028 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCCC23CC3)c1 ZINC000865655455 630260032 /nfs/dbraw/zinc/26/00/32/630260032.db2.gz BDRICICGLOKVKB-OAHLLOKOSA-N 1 0 261.365 3.213 20 10 CGCDRO Oc1ccccc1C[NH2+]CCc1cccc2[nH]ccc21 ZINC000800301304 630263618 /nfs/dbraw/zinc/26/36/18/630263618.db2.gz UVBMKZFXKWAZIB-UHFFFAOYSA-N 1 0 266.344 3.206 20 10 CGCDRO CCCC[N@H+](Cc1ccnc(C)n1)Cc1ccccc1O ZINC000801595238 630346779 /nfs/dbraw/zinc/34/67/79/630346779.db2.gz JUAWKLRNJRVSBI-UHFFFAOYSA-N 1 0 285.391 3.293 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](C)c2cnc(C)s2)c1 ZINC000865701931 630396244 /nfs/dbraw/zinc/39/62/44/630396244.db2.gz SNOUQMBWIVLSCL-JTQLQIEISA-N 1 0 292.404 3.407 20 10 CGCDRO CC[C@@H]1CC[C@@H]1[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000806134063 630546100 /nfs/dbraw/zinc/54/61/00/630546100.db2.gz UQEROTZZBJTLFW-RKVPGOIHSA-N 1 0 288.435 3.362 20 10 CGCDRO Oc1cc2c(cc1C[N@@H+]1C[C@]3(CCCO3)[C@@H]1C1CC1)CCC2 ZINC000840094695 630590736 /nfs/dbraw/zinc/59/07/36/630590736.db2.gz MOXCTPACBLZVAD-RBUKOAKNSA-N 1 0 299.414 3.024 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H]2CCCO2)c1O ZINC000808672484 630663369 /nfs/dbraw/zinc/66/33/69/630663369.db2.gz OZANUNPKVQJBMU-PWSUYJOCSA-N 1 0 269.772 3.184 20 10 CGCDRO COC[C@H](C)C[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808679979 630664050 /nfs/dbraw/zinc/66/40/50/630664050.db2.gz AJMKTJXCXPVRBT-MWLCHTKSSA-N 1 0 271.788 3.287 20 10 CGCDRO Cc1cc(C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)[nH]n1 ZINC000808697423 630666285 /nfs/dbraw/zinc/66/62/85/630666285.db2.gz INXVOSQIQITLHZ-JTQLQIEISA-N 1 0 279.771 3.236 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2(C)OCCCO2)c1O ZINC000808715469 630669802 /nfs/dbraw/zinc/66/98/02/630669802.db2.gz FPBWSBXEHIAHTE-LLVKDONJSA-N 1 0 299.798 3.158 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCC2(O)CCC2)c1O ZINC000808716962 630670236 /nfs/dbraw/zinc/67/02/36/630670236.db2.gz AIIYZJKVKIBCMF-NSHDSACASA-N 1 0 283.799 3.310 20 10 CGCDRO CCC[C@]1([NH2+]Cc2cc(Cl)cc(C)c2O)CCOC1 ZINC000809702974 630787069 /nfs/dbraw/zinc/78/70/69/630787069.db2.gz BPPPODAHMRTRLQ-HNNXBMFYSA-N 1 0 283.799 3.403 20 10 CGCDRO Cc1ccc2c(c1)C[N@@H+](Cc1cccc(C)c1O)CCO2 ZINC000809703024 630787316 /nfs/dbraw/zinc/78/73/16/630787316.db2.gz CIBQTKXATUPADZ-UHFFFAOYSA-N 1 0 283.371 3.404 20 10 CGCDRO COc1cccc(C[NH2+]Cc2cscc2Cl)c1O ZINC000809739885 630796238 /nfs/dbraw/zinc/79/62/38/630796238.db2.gz FXJGAYBHDRTARM-UHFFFAOYSA-N 1 0 283.780 3.406 20 10 CGCDRO CCCC[C@@H](CC)[NH2+]Cc1cccc(OC)c1O ZINC000809739969 630796533 /nfs/dbraw/zinc/79/65/33/630796533.db2.gz JBACJTVNCMACBQ-CYBMUJFWSA-N 1 0 251.370 3.459 20 10 CGCDRO COc1cccc(C[NH2+][C@@H]2CC[C@H]2C2CCC2)c1O ZINC000809740428 630796608 /nfs/dbraw/zinc/79/66/08/630796608.db2.gz YNGIJFFUWMUMKH-UONOGXRCSA-N 1 0 261.365 3.069 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)C2)cc1 ZINC000842764160 635465131 /nfs/dbraw/zinc/46/51/31/635465131.db2.gz NSTOZZFGSNLVEC-FZNQNYSPSA-N 1 0 276.424 3.188 20 10 CGCDRO Cc1nccn1CCC[N@@H+](C)Cc1cc(Cl)ccc1O ZINC000809753504 630800855 /nfs/dbraw/zinc/80/08/55/630800855.db2.gz UOBLDULSWSLAHJ-UHFFFAOYSA-N 1 0 293.798 3.073 20 10 CGCDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000809768249 630804050 /nfs/dbraw/zinc/80/40/50/630804050.db2.gz GHDWPZRIXQHBHW-NVXWUHKLSA-N 1 0 288.435 3.286 20 10 CGCDRO CC[C@H]([NH2+]CCOC)c1ccc(C(F)(F)F)cc1O ZINC000810208077 630853874 /nfs/dbraw/zinc/85/38/74/630853874.db2.gz RTJJXGJSJIJQGK-NSHDSACASA-N 1 0 277.286 3.098 20 10 CGCDRO CC[N@@H+](Cc1cc(C(C)(C)C)cc(O)c1O)C[C@H](C)OC ZINC000812303050 631236494 /nfs/dbraw/zinc/23/64/94/631236494.db2.gz KHSIDUCHBACDFO-LBPRGKRZSA-N 1 0 295.423 3.252 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CC2(CCC2)[C@H]1C(C)C ZINC000814170675 631536682 /nfs/dbraw/zinc/53/66/82/631536682.db2.gz BVNPOKVQCJTNHS-MRXNPFEDSA-N 1 0 275.392 3.411 20 10 CGCDRO CCOC1CC[NH+](Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000815022218 631705108 /nfs/dbraw/zinc/70/51/08/631705108.db2.gz UVBIOEDZNMEADU-UHFFFAOYSA-N 1 0 276.424 3.062 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2C[C@@H](C)O[C@H](C3CC3)C2)cc1 ZINC000815102644 631717738 /nfs/dbraw/zinc/71/77/38/631717738.db2.gz LDLHZHOHEDMIPK-KDOFPFPSSA-N 1 0 288.435 3.142 20 10 CGCDRO Oc1ccccc1C[NH2+]Cc1conc1Cc1ccccc1 ZINC000815122059 631721394 /nfs/dbraw/zinc/72/13/94/631721394.db2.gz FXAPWNMJYVRLEB-UHFFFAOYSA-N 1 0 294.354 3.261 20 10 CGCDRO COc1cccc(O)c1C[NH2+]C1CC(C(C)(C)C)C1 ZINC000815146722 631729420 /nfs/dbraw/zinc/72/94/20/631729420.db2.gz JQOOKYVWMFLMEX-UHFFFAOYSA-N 1 0 263.381 3.315 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCOC[C@H]2CC2CCC2)cc1 ZINC000815293093 631754573 /nfs/dbraw/zinc/75/45/73/631754573.db2.gz WTVIMUBLMZLGRM-GOSISDBHSA-N 1 0 288.435 3.144 20 10 CGCDRO Cc1cc(C[N@@H+]2CCCO[C@H](C(C)C)C2)ccc1N(C)C ZINC000815314721 631756621 /nfs/dbraw/zinc/75/66/21/631756621.db2.gz DPQOSRPVPAWETK-SFHVURJKSA-N 1 0 290.451 3.308 20 10 CGCDRO COCC[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000815552951 631793977 /nfs/dbraw/zinc/79/39/77/631793977.db2.gz OCDRGOSWPZSRDP-QGZVFWFLSA-N 1 0 285.387 3.302 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCCCn2ccnc2)c(O)c1 ZINC000815562951 631795251 /nfs/dbraw/zinc/79/52/51/631795251.db2.gz QFNVNZMNOBXPHZ-HNNXBMFYSA-N 1 0 287.407 3.337 20 10 CGCDRO C[C@@H]([NH2+]CCCSc1nccs1)[C@@]1(C)CCCO1 ZINC000815581372 631798989 /nfs/dbraw/zinc/79/89/89/631798989.db2.gz DRVSRIIPAQYZAW-DGCLKSJQSA-N 1 0 286.466 3.173 20 10 CGCDRO CCc1cc(C[NH2+][C@H](C)c2c(C)cc(C)cc2O)on1 ZINC000815582362 631800506 /nfs/dbraw/zinc/80/05/06/631800506.db2.gz DLRFUDAMSWWBBZ-GFCCVEGCSA-N 1 0 274.364 3.410 20 10 CGCDRO CO[C@@H]1CCC[C@H]1C[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000815601060 631804936 /nfs/dbraw/zinc/80/49/36/631804936.db2.gz MNTZNUYTJQYVRI-IJEWVQPXSA-N 1 0 277.408 3.475 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCOC2CCC2)c(O)c1 ZINC000815606638 631805819 /nfs/dbraw/zinc/80/58/19/631805819.db2.gz CEOMRDYBRYNIFA-CYBMUJFWSA-N 1 0 263.381 3.229 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CCC=CO2)c(O)c1 ZINC000815618452 631806543 /nfs/dbraw/zinc/80/65/43/631806543.db2.gz LWBKDOODMKYJSH-ZIAGYGMSSA-N 1 0 261.365 3.352 20 10 CGCDRO C[C@H](F)CC[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000815646087 631811808 /nfs/dbraw/zinc/81/18/08/631811808.db2.gz ZRURQUSTSILXIK-WCABBAIRSA-N 1 0 255.308 3.417 20 10 CGCDRO C[C@@H]1C[NH+](Cc2ccc3ccccc3c2O)C[C@@H](C)O1 ZINC000816478008 631988169 /nfs/dbraw/zinc/98/81/69/631988169.db2.gz QXJDQYWLJOFJOP-CHWSQXEVSA-N 1 0 271.360 3.155 20 10 CGCDRO CC[C@@H]1C[N@H+](Cc2ccc3ccccc3c2O)CCO1 ZINC000816483838 631990352 /nfs/dbraw/zinc/99/03/52/631990352.db2.gz HCTVTYMFPJKULO-OAHLLOKOSA-N 1 0 271.360 3.156 20 10 CGCDRO C[C@H]1C[C@@H]([N@H+](C)Cc2ccc3ccccc3c2O)CCN1C ZINC000816514798 631999043 /nfs/dbraw/zinc/99/90/43/631999043.db2.gz HSENTTWRGDGLOQ-YOEHRIQHSA-N 1 0 298.430 3.460 20 10 CGCDRO CCOCCC[NH2+]Cc1ccc2ccccc2c1O ZINC000816530361 632004430 /nfs/dbraw/zinc/00/44/30/632004430.db2.gz FRZBFMKKAPRWEH-UHFFFAOYSA-N 1 0 259.349 3.062 20 10 CGCDRO CCC(CC)(CO)C[NH2+]Cc1ccc2ccccc2c1O ZINC000816559109 632011044 /nfs/dbraw/zinc/01/10/44/632011044.db2.gz XTBACKLDQOYFQW-UHFFFAOYSA-N 1 0 287.403 3.434 20 10 CGCDRO OCC1(C[NH2+]Cc2ccc3ccccc3c2O)CCCC1 ZINC000816570945 632015997 /nfs/dbraw/zinc/01/59/97/632015997.db2.gz MJJAFTPYUBMBBI-UHFFFAOYSA-N 1 0 285.387 3.188 20 10 CGCDRO CC1(CO)CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC000816569889 632016289 /nfs/dbraw/zinc/01/62/89/632016289.db2.gz ABORMTOYOVORLG-UHFFFAOYSA-N 1 0 285.387 3.140 20 10 CGCDRO COc1ccc(C[NH2+]Cc2ccsc2C)c(O)c1 ZINC000816597454 632020757 /nfs/dbraw/zinc/02/07/57/632020757.db2.gz RZWWBNWZYPJOOS-UHFFFAOYSA-N 1 0 263.362 3.061 20 10 CGCDRO C[C@H]1COCC[C@H]1C[NH2+]Cc1ccc2ccccc2c1O ZINC000816609048 632023058 /nfs/dbraw/zinc/02/30/58/632023058.db2.gz QKZIDOZLCXIGJT-ZFWWWQNUSA-N 1 0 285.387 3.308 20 10 CGCDRO CC[C@@H]1C[N@@H+](Cc2cc(C)cc(OC)c2O)C[C@H](CC)O1 ZINC000817364011 632131610 /nfs/dbraw/zinc/13/16/10/632131610.db2.gz BELAXBGTTLJNOL-GASCZTMLSA-N 1 0 293.407 3.099 20 10 CGCDRO Cc1cc(O)c(C[N@H+](C)C[C@H]2CCCN2C)cc1C(C)C ZINC000817378671 632134658 /nfs/dbraw/zinc/13/46/58/632134658.db2.gz XUCPKCFANIWJJJ-MRXNPFEDSA-N 1 0 290.451 3.350 20 10 CGCDRO CC[C@@H]1C[C@H]([NH2+][C@H](C)c2cc(F)ccc2O)CCO1 ZINC000817584944 632190372 /nfs/dbraw/zinc/19/03/72/632190372.db2.gz BFQAJKYYEKOLGI-RAIGVLPGSA-N 1 0 267.344 3.140 20 10 CGCDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)c1ccc(F)cc1 ZINC000817955849 632251205 /nfs/dbraw/zinc/25/12/05/632251205.db2.gz JFMLIBMKKDRHOX-GFCCVEGCSA-N 1 0 258.340 3.301 20 10 CGCDRO CC(C)C[C@H](CN)[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000817958379 632252977 /nfs/dbraw/zinc/25/29/77/632252977.db2.gz IYNCQZDLXZZGTG-NQBHXWOUSA-N 1 0 280.387 3.043 20 10 CGCDRO Nc1ccc(CC[NH2+]C2CCC(C(F)F)CC2)cc1 ZINC000817958425 632253729 /nfs/dbraw/zinc/25/37/29/632253729.db2.gz VXIPHZCNJNMSLJ-UHFFFAOYSA-N 1 0 268.351 3.225 20 10 CGCDRO C[C@@H](NC[C@@H]([NH3+])C1CC1)c1ccc(N2CCCCC2)cc1 ZINC000817965213 632259915 /nfs/dbraw/zinc/25/99/15/632259915.db2.gz NVJFXLNQSNBONB-RDTXWAMCSA-N 1 0 287.451 3.065 20 10 CGCDRO C[C@@H]([NH3+])[C@H](C)N[C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000817978090 632268690 /nfs/dbraw/zinc/26/86/90/632268690.db2.gz VTMHZRXCHDPOBH-RDBSUJKOSA-N 1 0 293.430 3.202 20 10 CGCDRO CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817979890 632270010 /nfs/dbraw/zinc/27/00/10/632270010.db2.gz PZGCNRMIYYGDSC-JGVFFNPUSA-N 1 0 277.195 3.087 20 10 CGCDRO CC[C@H]([NH2+][C@H](CN)C1CCCC1)c1ccc(N(C)C)cc1 ZINC000817982689 632272989 /nfs/dbraw/zinc/27/29/89/632272989.db2.gz VLYRMILYHXIJIJ-ZWKOTPCHSA-N 1 0 289.467 3.311 20 10 CGCDRO CC[C@@H]([NH2+][C@H](CN)C1CCCC1)c1ccc(N(C)C)cc1 ZINC000817982687 632273359 /nfs/dbraw/zinc/27/33/59/632273359.db2.gz VLYRMILYHXIJIJ-QZTJIDSGSA-N 1 0 289.467 3.311 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H]2C[C@H]2C2CCC2)c1 ZINC000818223293 632298918 /nfs/dbraw/zinc/29/89/18/632298918.db2.gz UUSUQIFIEBHEHI-BBRMVZONSA-N 1 0 275.392 3.317 20 10 CGCDRO COc1ccc(N2CC[C@@H](CNc3cc(C)cc[nH+]3)C2)cc1 ZINC000819936340 632540541 /nfs/dbraw/zinc/54/05/41/632540541.db2.gz RZIBHNOIOXEUAX-HNNXBMFYSA-N 1 0 297.402 3.337 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@H](C)CC(F)F)cc1C ZINC000842727722 632742532 /nfs/dbraw/zinc/74/25/32/632742532.db2.gz RDDXESFRNXIPKG-SECBINFHSA-N 1 0 257.324 3.390 20 10 CGCDRO CO[C@H](C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C)C1CC1 ZINC000822582353 632975924 /nfs/dbraw/zinc/97/59/24/632975924.db2.gz DIRCIIPWRRCDGA-GOSISDBHSA-N 1 0 290.451 3.388 20 10 CGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@H](OC)C1CC1 ZINC000822653820 633000236 /nfs/dbraw/zinc/00/02/36/633000236.db2.gz CIWDPJOWNGAMBD-INIZCTEOSA-N 1 0 263.381 3.029 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)[C@H](C)O1 ZINC000866443375 633134141 /nfs/dbraw/zinc/13/41/41/633134141.db2.gz LDARBCFHSSYYKT-CWUQZGLOSA-N 1 0 279.355 3.235 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1F)c1cc(F)ccc1O ZINC000866450539 633139226 /nfs/dbraw/zinc/13/92/26/633139226.db2.gz WGYGXZPUJKXEKR-JIMOISOXSA-N 1 0 255.308 3.463 20 10 CGCDRO COc1ccc(O)c(C[NH2+]Cc2cccc(C)c2F)c1 ZINC000823871966 633163447 /nfs/dbraw/zinc/16/34/47/633163447.db2.gz SSEJIMHLMAZGLW-UHFFFAOYSA-N 1 0 275.323 3.138 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@@H]1CCC13CCOCC3)CC2 ZINC000866529414 633174530 /nfs/dbraw/zinc/17/45/30/633174530.db2.gz GFKOXVOWWYCHIO-GJZGRUSLSA-N 1 0 287.403 3.176 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CCOCC1)CC2 ZINC000866539635 633182637 /nfs/dbraw/zinc/18/26/37/633182637.db2.gz NWOUHYQWUHDMIN-JYJNAYRXSA-N 1 0 287.403 3.032 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCCn3nccc32)c1 ZINC000866634349 633223014 /nfs/dbraw/zinc/22/30/14/633223014.db2.gz QWDHXXMRTYRQBH-OCCSQVGLSA-N 1 0 271.364 3.083 20 10 CGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@@H]1CSC[C@H]1C ZINC000824291160 633224512 /nfs/dbraw/zinc/22/45/12/633224512.db2.gz BDRWCUQHQAAZSY-IUODEOHRSA-N 1 0 264.438 3.113 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CC[C@H](O)C2CCCC2)c1 ZINC000866638620 633227416 /nfs/dbraw/zinc/22/74/16/633227416.db2.gz RXRCTQHNBRWVSQ-BBRMVZONSA-N 1 0 277.408 3.292 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CC[C@@H](C)CCO)cc1F ZINC000824517059 633252786 /nfs/dbraw/zinc/25/27/86/633252786.db2.gz OYHDACLVEVQFAF-CQSZACIVSA-N 1 0 296.430 3.170 20 10 CGCDRO CCC1([NH2+]Cc2cc(Br)cc(C)c2O)CC1 ZINC000824620558 633265583 /nfs/dbraw/zinc/26/55/83/633265583.db2.gz UDXQFMXVCIONOC-UHFFFAOYSA-N 1 0 284.197 3.495 20 10 CGCDRO CC(C)[C@H]1C[C@H](C[NH2+]Cc2cc(F)ccc2O)CCO1 ZINC000824798257 633292548 /nfs/dbraw/zinc/29/25/48/633292548.db2.gz AOOZQSABEKCVTI-MLGOLLRUSA-N 1 0 281.371 3.072 20 10 CGCDRO COC(=O)CC[N@H+](Cc1cc(Cl)c(C)cc1O)C(C)C ZINC000824809285 633294670 /nfs/dbraw/zinc/29/46/70/633294670.db2.gz SOJLUVBOALMZOQ-UHFFFAOYSA-N 1 0 299.798 3.128 20 10 CGCDRO CCOc1ccc(C[N@@H+]2C[C@@H](C3CC3)[C@H]2C2CC2)c(O)c1 ZINC000824941148 633308742 /nfs/dbraw/zinc/30/87/42/633308742.db2.gz JSRPWJGGZBDIKI-FUHWJXTLSA-N 1 0 287.403 3.411 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)cc1 ZINC000825125026 633330942 /nfs/dbraw/zinc/33/09/42/633330942.db2.gz CVENBOJDXOQHJU-WMZOPIPTSA-N 1 0 288.435 3.190 20 10 CGCDRO CCn1cc([C@@H](C)[NH2+]Cc2cc(Cl)ccc2O)cn1 ZINC000825130075 633331407 /nfs/dbraw/zinc/33/14/07/633331407.db2.gz LREQCSBTILDJAW-SNVBAGLBSA-N 1 0 279.771 3.113 20 10 CGCDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000825215071 633336013 /nfs/dbraw/zinc/33/60/13/633336013.db2.gz FXGZRSPRCOSJPL-HNNXBMFYSA-N 1 0 281.396 3.250 20 10 CGCDRO COCC1(C[NH2+]Cc2cc(C)c(C)cc2O)CCCC1 ZINC000825246167 633338771 /nfs/dbraw/zinc/33/87/71/633338771.db2.gz ZFLMDZMPZNJODW-UHFFFAOYSA-N 1 0 277.408 3.305 20 10 CGCDRO CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(C)ccc1O ZINC000825299277 633343319 /nfs/dbraw/zinc/34/33/19/633343319.db2.gz GMQMAWORLULICS-GDBMZVCRSA-N 1 0 263.381 3.138 20 10 CGCDRO Cc1ncc(CC[NH2+]Cc2cc(Cl)c(C)cc2O)s1 ZINC000825376325 633349856 /nfs/dbraw/zinc/34/98/56/633349856.db2.gz YBWWDDFAVGITTJ-UHFFFAOYSA-N 1 0 296.823 3.451 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@]2(C)CCCOC2)cc1Cl ZINC000825441649 633354487 /nfs/dbraw/zinc/35/44/87/633354487.db2.gz QKCBZBJFANVCTH-AWEZNQCLSA-N 1 0 269.772 3.013 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCOCC3(CCC3)C2)cc1Cl ZINC000825513094 633360981 /nfs/dbraw/zinc/36/09/81/633360981.db2.gz BLIGTXXKZQZDSR-UHFFFAOYSA-N 1 0 295.810 3.357 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CSC[C@H]2C)cc1Cl ZINC000825886470 633385948 /nfs/dbraw/zinc/38/59/48/633385948.db2.gz PKGFXNZVUFJBFS-BXKDBHETSA-N 1 0 271.813 3.195 20 10 CGCDRO CCC[C@@]1([NH2+]Cc2cc(Cl)c(C)cc2O)CCOC1 ZINC000825886425 633386033 /nfs/dbraw/zinc/38/60/33/633386033.db2.gz OVPPPTYHWUYJIG-OAHLLOKOSA-N 1 0 283.799 3.403 20 10 CGCDRO CO[C@H]([C@H](C)[NH2+]Cc1cc(Cl)c(C)cc1O)C1CC1 ZINC000826089363 633404196 /nfs/dbraw/zinc/40/41/96/633404196.db2.gz FRJOQWWOQGNRBI-ZUZCIYMTSA-N 1 0 283.799 3.257 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+]C[C@H]2CCN2C(C)(C)C)c1O ZINC000826791649 633433797 /nfs/dbraw/zinc/43/37/97/633433797.db2.gz YWDOICMCRUABIG-CQSZACIVSA-N 1 0 296.842 3.316 20 10 CGCDRO CCc1ccc(C)[nH+]c1NCc1cc(F)ccc1O ZINC000826910996 633443297 /nfs/dbraw/zinc/44/32/97/633443297.db2.gz QRJZZQLBEWXWGA-UHFFFAOYSA-N 1 0 260.312 3.409 20 10 CGCDRO Oc1ccc(F)cc1C[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC000827376620 633485805 /nfs/dbraw/zinc/48/58/05/633485805.db2.gz GLYOAUZJEHJERB-KRWDZBQOSA-N 1 0 293.382 3.312 20 10 CGCDRO CO[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)c(C)c2)C1 ZINC000827986385 633544829 /nfs/dbraw/zinc/54/48/29/633544829.db2.gz VGAZTQZVSDEUDY-KRWDZBQOSA-N 1 0 288.435 3.206 20 10 CGCDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2)cc1 ZINC000123347493 633662526 /nfs/dbraw/zinc/66/25/26/633662526.db2.gz HGKXZNHBXFZUTB-OAHLLOKOSA-N 1 0 298.430 3.482 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)cc1 ZINC000828905256 633668261 /nfs/dbraw/zinc/66/82/61/633668261.db2.gz MEQTXJPVGDSWLB-SJLPKXTDSA-N 1 0 288.435 3.144 20 10 CGCDRO C[C@@H](NC(=O)CC[C@H]([NH3+])c1ccccc1)c1ccccc1O ZINC000870988065 633673131 /nfs/dbraw/zinc/67/31/31/633673131.db2.gz FMDNEJSGDHDJHG-CJNGLKHVSA-N 1 0 298.386 3.050 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)c1 ZINC000846105140 636143751 /nfs/dbraw/zinc/14/37/51/636143751.db2.gz QJYMLGXJWNLAOK-CQSZACIVSA-N 1 0 283.318 3.022 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CC[C@]3(CC3(F)F)C2)c1O ZINC000846117919 636147503 /nfs/dbraw/zinc/14/75/03/636147503.db2.gz SSVJPSLNMBFBIO-AWEZNQCLSA-N 1 0 283.318 3.022 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1)c1ccccc1O ZINC000872109622 634034111 /nfs/dbraw/zinc/03/41/11/634034111.db2.gz PBTXYYXPVZTUCB-RSUWNVLCSA-N 1 0 261.365 3.000 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCc2cccc(O)c21)[C@H](O)c1ccccc1 ZINC000872132155 634053958 /nfs/dbraw/zinc/05/39/58/634053958.db2.gz FCAPVWBQQNZFKT-TXPKVOOTSA-N 1 0 297.398 3.481 20 10 CGCDRO C[C@H](C[NH2+][C@H]1CCc2cccc(O)c21)N1CCCC[C@H]1C ZINC000834508956 634174875 /nfs/dbraw/zinc/17/48/75/634174875.db2.gz UFPAOEABAGWCLH-FMKPAKJESA-N 1 0 288.435 3.232 20 10 CGCDRO CCn1ccnc1[C@H](C)[NH2+]CCCSc1nccs1 ZINC000834592487 634192918 /nfs/dbraw/zinc/19/29/18/634192918.db2.gz BDGBPVPSOLVWSM-NSHDSACASA-N 1 0 296.465 3.193 20 10 CGCDRO COc1cc(C)ccc1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834619646 634199120 /nfs/dbraw/zinc/19/91/20/634199120.db2.gz JOSROURPTCHHLH-OAHLLOKOSA-N 1 0 283.371 3.486 20 10 CGCDRO CN1Cc2ccccc2[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000834693082 634221220 /nfs/dbraw/zinc/22/12/20/634221220.db2.gz KKXATOYGPDRURS-IAGOWNOFSA-N 1 0 294.398 3.156 20 10 CGCDRO CCCOc1ccc(C[NH2+]C(C)(C)CCO)cc1C ZINC000873063443 634239462 /nfs/dbraw/zinc/23/94/62/634239462.db2.gz UPYNKWPHAOCOBB-UHFFFAOYSA-N 1 0 265.397 3.034 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@H](C)CC[S@](C)=O)cc1C ZINC000873073769 634241490 /nfs/dbraw/zinc/24/14/90/634241490.db2.gz BTRUUVKBNGESNC-VLIAUNLRSA-N 1 0 297.464 3.031 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@H](C)CCCO)cc1C ZINC000873074984 634242077 /nfs/dbraw/zinc/24/20/77/634242077.db2.gz NYGKGKXHSUOEEC-CQSZACIVSA-N 1 0 265.397 3.034 20 10 CGCDRO Cc1cccc2c1OC[C@@H]([NH2+][C@H]1CCc3cccc(O)c31)C2 ZINC000834806316 634244747 /nfs/dbraw/zinc/24/47/47/634244747.db2.gz ASXYKDIEXXWZLS-HOTGVXAUSA-N 1 0 295.382 3.281 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@@H]2CCCOCC2)cc1C ZINC000873101815 634245777 /nfs/dbraw/zinc/24/57/77/634245777.db2.gz YWQPTPZKJKEMMV-MRXNPFEDSA-N 1 0 277.408 3.443 20 10 CGCDRO CCCOc1ccc(C[NH2+]C[C@@H]2CC[C@@H](O)C2)cc1C ZINC000873113253 634248487 /nfs/dbraw/zinc/24/84/87/634248487.db2.gz VZSMBDHFYQWDBJ-HZPDHXFCSA-N 1 0 277.408 3.034 20 10 CGCDRO CCCOc1ccc(C[NH2+]C[C@H]2C[C@@H](OC)C2)cc1C ZINC000873145773 634258876 /nfs/dbraw/zinc/25/88/76/634258876.db2.gz NWUJAWMSXZGJPW-IYBDPMFKSA-N 1 0 277.408 3.298 20 10 CGCDRO C[C@H](CC(C)(C)O)[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000834877035 634262939 /nfs/dbraw/zinc/26/29/39/634262939.db2.gz RURYDNLWQCLBLU-FOGDFJRCSA-N 1 0 281.371 3.219 20 10 CGCDRO C[C@@H]([NH2+]CC1(CF)CCOCC1)c1ccc(N(C)C)cc1 ZINC000834886375 634268037 /nfs/dbraw/zinc/26/80/37/634268037.db2.gz SFFFOPMDIZERFG-CQSZACIVSA-N 1 0 294.414 3.170 20 10 CGCDRO CCc1nc(C[NH2+][C@H](CC)c2ccc(C)cc2O)co1 ZINC000834897051 634274488 /nfs/dbraw/zinc/27/44/88/634274488.db2.gz FIEKTPYHGSXXCQ-CQSZACIVSA-N 1 0 274.364 3.492 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCC[C@H]2CCOC2)c(O)c1C ZINC000834901499 634278031 /nfs/dbraw/zinc/27/80/31/634278031.db2.gz AXRHMZMZEYPLRV-CABCVRRESA-N 1 0 277.408 3.476 20 10 CGCDRO CC(C)(C[NH2+][C@H]1CCc2cccc(O)c21)C1(O)CCCC1 ZINC000834905761 634282382 /nfs/dbraw/zinc/28/23/82/634282382.db2.gz KUGCNPRCANBBNY-AWEZNQCLSA-N 1 0 289.419 3.300 20 10 CGCDRO C[C@@H]1CC[C@H](C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)O1 ZINC000834915973 634286679 /nfs/dbraw/zinc/28/66/79/634286679.db2.gz VVHMMFXQZQWTNC-UZWSLXQKSA-N 1 0 279.355 3.237 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000873256798 634305091 /nfs/dbraw/zinc/30/50/91/634305091.db2.gz OLLVILPWQSFSIV-IWSPIJDZSA-N 1 0 289.206 3.087 20 10 CGCDRO CN(C)c1ccc(/C=C/C[N@H+](C)CC2(O)CCCC2)cc1 ZINC000835025645 634324327 /nfs/dbraw/zinc/32/43/27/634324327.db2.gz IKSJECBQOJYSIY-VOTSOKGWSA-N 1 0 288.435 3.003 20 10 CGCDRO CN(C)c1ccc(/C=C/C[N@H+](C)[C@H]2CCSC2)cc1 ZINC000835026361 634326451 /nfs/dbraw/zinc/32/64/51/634326451.db2.gz VQBNLNZIFRISRL-APHBUQMISA-N 1 0 276.449 3.203 20 10 CGCDRO CC[C@@H](C)N(C)CC[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835035407 634327692 /nfs/dbraw/zinc/32/76/92/634327692.db2.gz CPEJJZNJUWQKFQ-XITLMJRVSA-N 1 0 289.467 3.086 20 10 CGCDRO CC[C@H](C[C@@H](C)CO)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835039885 634329734 /nfs/dbraw/zinc/32/97/34/634329734.db2.gz LXOAIBMIJSKANY-RUBBHVMPSA-N 1 0 290.451 3.153 20 10 CGCDRO CN(C)c1ccc(C=CC[NH2+][C@H]2CCCc3cn[nH]c32)cc1 ZINC000835043097 634330409 /nfs/dbraw/zinc/33/04/09/634330409.db2.gz MVCBOZQIUOLJPF-CHYADLBTSA-N 1 0 296.418 3.156 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@H]2CCCSC2)cc1 ZINC000835042595 634330552 /nfs/dbraw/zinc/33/05/52/634330552.db2.gz KRETVPHYVWHUNB-QTLSWZBMSA-N 1 0 276.449 3.251 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+]C2(CCO)CCCC2)cc1 ZINC000835052399 634336735 /nfs/dbraw/zinc/33/67/35/634336735.db2.gz MTCKMUZDGWAGTI-WAYWQWQTSA-N 1 0 288.435 3.051 20 10 CGCDRO COC[C@H]1CCCC[N@@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC000835055075 634339041 /nfs/dbraw/zinc/33/90/41/634339041.db2.gz QJULJQWNVYNDIL-HPFMTEOYSA-N 1 0 288.435 3.267 20 10 CGCDRO CC(C)N(C)C[C@@H](C)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835055879 634339572 /nfs/dbraw/zinc/33/95/72/634339572.db2.gz OWVHYRGUTPXVRP-KXPUMZMLSA-N 1 0 289.467 3.084 20 10 CGCDRO CCOc1ccc(C[NH2+]CCOC(C)(C)CC)c(O)c1 ZINC000835085075 634349914 /nfs/dbraw/zinc/34/99/14/634349914.db2.gz LBOYKYHVWIJGPU-UHFFFAOYSA-N 1 0 281.396 3.086 20 10 CGCDRO COC(=O)c1ccc(C[N@H+](C)Cc2ccc(C)cc2O)cc1 ZINC000876612751 634867417 /nfs/dbraw/zinc/86/74/17/634867417.db2.gz VWMCNFHGKLTCLE-UHFFFAOYSA-N 1 0 299.370 3.119 20 10 CGCDRO COc1cccc(OC)c1C[N@H+](C)Cc1ccccc1O ZINC000876616532 634868459 /nfs/dbraw/zinc/86/84/59/634868459.db2.gz YXVBJMLXSMMMOT-UHFFFAOYSA-N 1 0 287.359 3.041 20 10 CGCDRO Cc1ccc(CN2CCC[N@@H+](C3CCCC3)CC2)c(O)c1 ZINC000876656310 634877185 /nfs/dbraw/zinc/87/71/85/634877185.db2.gz KSKWXVZHQNRCCH-UHFFFAOYSA-N 1 0 288.435 3.151 20 10 CGCDRO CO[C@@H]1CCC[N@H+](Cc2cc(C(C)C)c(C)cc2O)C1 ZINC000102766517 634881841 /nfs/dbraw/zinc/88/18/41/634881841.db2.gz JTOJUGIFVJPNQI-OAHLLOKOSA-N 1 0 277.408 3.435 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCC[C@@]3(CCCOC3)C2)c(O)c1 ZINC000876763304 634895693 /nfs/dbraw/zinc/89/56/93/634895693.db2.gz JXTFCCJUDZAWJB-QGZVFWFLSA-N 1 0 275.392 3.093 20 10 CGCDRO Cc1ccc(C[NH2+][C@H](C)CCc2ccco2)c(O)c1 ZINC000876884497 634920051 /nfs/dbraw/zinc/92/00/51/634920051.db2.gz KCVMIYUPAKVEMX-CYBMUJFWSA-N 1 0 259.349 3.405 20 10 CGCDRO CCOc1cccc(C[NH2+]Cc2ccc(C)cc2O)c1 ZINC000876936153 634932321 /nfs/dbraw/zinc/93/23/21/634932321.db2.gz IQXJPODEAFFKDZ-UHFFFAOYSA-N 1 0 271.360 3.389 20 10 CGCDRO COCc1cc(C[NH2+]Cc2c(C)cccc2O)ccc1F ZINC000877010227 634949233 /nfs/dbraw/zinc/94/92/33/634949233.db2.gz QKBVARZUTLDJKI-UHFFFAOYSA-N 1 0 289.350 3.276 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2ccc(C3OCCO3)cc2)c(O)c1 ZINC000877031534 634956223 /nfs/dbraw/zinc/95/62/23/634956223.db2.gz XBMRMBZJNYSNQS-UHFFFAOYSA-N 1 0 299.370 3.036 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cccc(F)c1N ZINC000877030682 634956282 /nfs/dbraw/zinc/95/62/82/634956282.db2.gz HIIAYYCFZHDYBG-UHFFFAOYSA-N 1 0 287.382 3.072 20 10 CGCDRO CS[C@H]1CCC[C@H]([NH2+]Cc2ccc(C)cc2O)C1 ZINC000877037312 634959064 /nfs/dbraw/zinc/95/90/64/634959064.db2.gz ZUXJXKUCYFHZCG-KBPBESRZSA-N 1 0 265.422 3.464 20 10 CGCDRO COc1ccc2c(c1)OCC[C@@H]2[NH2+]Cc1c(C)cccc1O ZINC000877063277 634968739 /nfs/dbraw/zinc/96/87/39/634968739.db2.gz CFJYLVZWWILZPW-INIZCTEOSA-N 1 0 299.370 3.323 20 10 CGCDRO CCc1cnc(CC[NH2+]Cc2ccc(C)cc2O)s1 ZINC000877071484 634971714 /nfs/dbraw/zinc/97/17/14/634971714.db2.gz PDDZVSKYBRRFLO-UHFFFAOYSA-N 1 0 276.405 3.052 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2ccc(C(C)(C)O)cc2)c(O)c1 ZINC000877408044 635036724 /nfs/dbraw/zinc/03/67/24/635036724.db2.gz FUVAGNRIEHTPBD-UHFFFAOYSA-N 1 0 285.387 3.218 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H]2CCOc3c(F)cccc32)c(O)c1 ZINC000877462435 635045893 /nfs/dbraw/zinc/04/58/93/635045893.db2.gz QUMKSNXULPROQB-OAHLLOKOSA-N 1 0 287.334 3.453 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H]2CCc3cc(O)ccc3C2)c(O)c1 ZINC000877480446 635053303 /nfs/dbraw/zinc/05/33/03/635053303.db2.gz VVGAKIMVHBQODU-MRXNPFEDSA-N 1 0 283.371 3.053 20 10 CGCDRO CC[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000840819905 635058706 /nfs/dbraw/zinc/05/87/06/635058706.db2.gz DDKXRCOZVFKOIR-XZOAIXRZSA-N 1 0 289.419 3.489 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H](C)CCOC)c1ccccc1O ZINC000840835784 635060896 /nfs/dbraw/zinc/06/08/96/635060896.db2.gz QNQNRQCUQFNSGY-GXTWGEPZSA-N 1 0 251.370 3.106 20 10 CGCDRO Cc1cc(Cl)nc(C[NH2+]Cc2c(C)cccc2O)c1 ZINC000877498020 635061305 /nfs/dbraw/zinc/06/13/05/635061305.db2.gz IIYIMYVXGJCTND-UHFFFAOYSA-N 1 0 276.767 3.347 20 10 CGCDRO Cc1ccc(C[NH2+]CCCc2cccc(C)n2)c(O)c1 ZINC000877514323 635065924 /nfs/dbraw/zinc/06/59/24/635065924.db2.gz JQBXBVGSIDSMMX-UHFFFAOYSA-N 1 0 270.376 3.126 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCC[C@H]2F)c1 ZINC000840876207 635071346 /nfs/dbraw/zinc/07/13/46/635071346.db2.gz ONTDKMIBVJLGFA-ZLKJLUDKSA-N 1 0 267.344 3.332 20 10 CGCDRO Cc1ccc(C[NH+]2CCC(c3cccnc3)CC2)c(O)c1 ZINC000877524875 635071725 /nfs/dbraw/zinc/07/17/25/635071725.db2.gz JCRGYZDSMHNAOQ-UHFFFAOYSA-N 1 0 282.387 3.475 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000877529147 635073000 /nfs/dbraw/zinc/07/30/00/635073000.db2.gz UOHDLYFPQQLSNO-HZPDHXFCSA-N 1 0 289.419 3.339 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)c1ccc(C)cc1O)[C@H](O)C(C)C ZINC000840884088 635073078 /nfs/dbraw/zinc/07/30/78/635073078.db2.gz ZAVHJBBXHMLWIR-DUVNUKRYSA-N 1 0 265.397 3.147 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)c1ccc(C)c(C)c1O)[C@@H](O)C(C)C ZINC000840883063 635073576 /nfs/dbraw/zinc/07/35/76/635073576.db2.gz RQPWHNYGTGMJJI-BPUTZDHNSA-N 1 0 279.424 3.455 20 10 CGCDRO CC[C@@H](COC)[NH2+][C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000840893565 635077094 /nfs/dbraw/zinc/07/70/94/635077094.db2.gz LMWRNKVRKPUNEY-HOCLYGCPSA-N 1 0 278.440 3.007 20 10 CGCDRO COCC[C@@H](C)[NH2+][C@H](C)Cc1ccc(N(C)C)cc1C ZINC000840892601 635077221 /nfs/dbraw/zinc/07/72/21/635077221.db2.gz BOFZHNGYRYMXTG-HUUCEWRRSA-N 1 0 278.440 3.007 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@H](O)c2ccsc2)c(Cl)c1 ZINC000840898438 635077882 /nfs/dbraw/zinc/07/78/82/635077882.db2.gz DWAGYKMAQKWBMB-AWEZNQCLSA-N 1 0 297.807 3.239 20 10 CGCDRO Cc1cc(O)c(C[N@H+](C)C[C@@H]2CCCOC2)c(Cl)c1 ZINC000840914782 635081923 /nfs/dbraw/zinc/08/19/23/635081923.db2.gz YVDZLYKLSRNASV-LBPRGKRZSA-N 1 0 283.799 3.212 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CC1(N(C)C)CCCC1 ZINC000840927869 635084217 /nfs/dbraw/zinc/08/42/17/635084217.db2.gz GMLDHHRVYQFVDV-UHFFFAOYSA-N 1 0 289.467 3.025 20 10 CGCDRO CC[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2C)CCCO1 ZINC000840942389 635088511 /nfs/dbraw/zinc/08/85/11/635088511.db2.gz FTRYBLMHOJHYHU-QGZVFWFLSA-N 1 0 276.424 3.062 20 10 CGCDRO COc1cccc(C[NH2+]C[C@@H]2CCC[C@H]2C2CC2)c1O ZINC000840954079 635092125 /nfs/dbraw/zinc/09/21/25/635092125.db2.gz CRMHKVOYQSDESH-ZFWWWQNUSA-N 1 0 275.392 3.317 20 10 CGCDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1cc(C)ccc1O ZINC000840956296 635093543 /nfs/dbraw/zinc/09/35/43/635093543.db2.gz PJZAXORIDPVBED-AEFFLSMTSA-N 1 0 283.371 3.103 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]C[C@H]1CCO[C@@H](C(C)C)C1 ZINC000877565346 635094265 /nfs/dbraw/zinc/09/42/65/635094265.db2.gz GAIBYUUSIYIVEF-WMLDXEAASA-N 1 0 277.408 3.241 20 10 CGCDRO COCC1CCC([NH2+]Cc2cc(C)c(C)cc2O)CC1 ZINC000840964090 635095365 /nfs/dbraw/zinc/09/53/65/635095365.db2.gz XFXHQWPPRXJOEK-UHFFFAOYSA-N 1 0 277.408 3.304 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]C[C@H]1CCSC1 ZINC000840975310 635098726 /nfs/dbraw/zinc/09/87/26/635098726.db2.gz FSNOKBCSDWTOJU-LSDHHAIUSA-N 1 0 292.492 3.335 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000877603024 635107682 /nfs/dbraw/zinc/10/76/82/635107682.db2.gz CANUCXPBLFKODE-HOCLYGCPSA-N 1 0 275.392 3.092 20 10 CGCDRO Nc1ccc(CC[NH2+]Cc2ccccc2OC(F)F)cc1 ZINC000841037828 635111180 /nfs/dbraw/zinc/11/11/80/635111180.db2.gz YCPQSUGJQOXFOZ-UHFFFAOYSA-N 1 0 292.329 3.203 20 10 CGCDRO CC(C)(C[NH2+]CCc1ccc(N)cc1)c1ccccc1 ZINC000841035330 635111478 /nfs/dbraw/zinc/11/14/78/635111478.db2.gz MTBAEWXQLCPLDV-UHFFFAOYSA-N 1 0 268.404 3.379 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]CC[C@@]1(C)C[C@]1(F)Cl ZINC000877611487 635112539 /nfs/dbraw/zinc/11/25/39/635112539.db2.gz SPDDITPBGQANPO-UONOGXRCSA-N 1 0 271.763 3.495 20 10 CGCDRO C[C@H](C[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccccc1 ZINC000841044973 635113600 /nfs/dbraw/zinc/11/36/00/635113600.db2.gz HCBFJUXBRQINGL-DNVCBOLYSA-N 1 0 297.446 3.146 20 10 CGCDRO CC[C@@H]1CCC[C@@H]([NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)C1 ZINC000841046044 635114206 /nfs/dbraw/zinc/11/42/06/635114206.db2.gz VCBYXEYXQSAJQT-QGPMSJSTSA-N 1 0 289.467 3.311 20 10 CGCDRO C[C@@H]1CCC[C@H]([NH2+]C[C@H](N)c2ccc(N(C)C)cc2)[C@@H]1C ZINC000841046105 635114384 /nfs/dbraw/zinc/11/43/84/635114384.db2.gz WFKGQDSJGFPCSG-KNCCTNLNSA-N 1 0 289.467 3.167 20 10 CGCDRO C[C@@H]1CC[C@H]([NH2+]C[C@H](N)c2ccc(N(C)C)cc2)C[C@@H]1C ZINC000841045562 635114797 /nfs/dbraw/zinc/11/47/97/635114797.db2.gz MVHAHHOHQXSAAC-OAOQPFQOSA-N 1 0 289.467 3.167 20 10 CGCDRO C[NH2+]Cc1ccc(NCc2cccc(C)c2O)cc1 ZINC000841071889 635117537 /nfs/dbraw/zinc/11/75/37/635117537.db2.gz UKYGWJXKISDEDG-UHFFFAOYSA-N 1 0 256.349 3.032 20 10 CGCDRO CCOc1ccc(CNc2ccc(C[NH2+]C)cc2)c(O)c1 ZINC000841070729 635117664 /nfs/dbraw/zinc/11/76/64/635117664.db2.gz ICMFCICDOSBMEC-UHFFFAOYSA-N 1 0 286.375 3.122 20 10 CGCDRO Cc1cc(N)cc(C[NH2+]Cc2cc(C)c(C)cc2O)c1 ZINC000841071597 635117713 /nfs/dbraw/zinc/11/77/13/635117713.db2.gz QMTNXWVLPYWDAB-UHFFFAOYSA-N 1 0 270.376 3.189 20 10 CGCDRO c1cc(C[NH2+]Cc2ccc3c(c2)CCO3)c2c(c1)NCCC2 ZINC000841082059 635118873 /nfs/dbraw/zinc/11/88/73/635118873.db2.gz BKCZCLJFKVQLBI-UHFFFAOYSA-N 1 0 294.398 3.269 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCOC(C3CC3)(C3CC3)C2)c(O)c1 ZINC000877636268 635125717 /nfs/dbraw/zinc/12/57/17/635125717.db2.gz RLVHYRWRGGBNRP-UHFFFAOYSA-N 1 0 287.403 3.092 20 10 CGCDRO COc1cccc2c1C[N@H+](Cc1c(C)cccc1O)C2 ZINC000877658780 635135331 /nfs/dbraw/zinc/13/53/31/635135331.db2.gz XJFXQHODIGJPNU-UHFFFAOYSA-N 1 0 269.344 3.225 20 10 CGCDRO CCC[C@H](CCO)[NH2+]Cc1ccc2ccccc2c1O ZINC000877666715 635138986 /nfs/dbraw/zinc/13/89/86/635138986.db2.gz GWXCDVUWTGGRJI-OAHLLOKOSA-N 1 0 273.376 3.186 20 10 CGCDRO Cc1ccc(C[N@@H+]2CC[C@H](O)C[C@@H]2c2ccccc2)c(O)c1 ZINC000877672721 635140865 /nfs/dbraw/zinc/14/08/65/635140865.db2.gz LLPHKDGDPCIIEE-ZWKOTPCHSA-N 1 0 297.398 3.399 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@@H]2c3ccccc3CN2C)c1O ZINC000877732382 635166719 /nfs/dbraw/zinc/16/67/19/635166719.db2.gz DNKWFHYDGVNCBA-GOSISDBHSA-N 1 0 296.414 3.231 20 10 CGCDRO Cc1cc(O)c(C[NH+]2CCC(C(C)(C)O)CC2)cc1Cl ZINC000877751465 635181181 /nfs/dbraw/zinc/18/11/81/635181181.db2.gz BEZHGLNFTLFPMM-UHFFFAOYSA-N 1 0 297.826 3.337 20 10 CGCDRO CC(C)C[C@H](CO)[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841744202 635222627 /nfs/dbraw/zinc/22/26/27/635222627.db2.gz FTWNQOVUVUUERE-ZYHUDNBSSA-N 1 0 271.788 3.103 20 10 CGCDRO COC[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1O)C1CC1 ZINC000841750796 635225585 /nfs/dbraw/zinc/22/55/85/635225585.db2.gz JCYHVFXIQMBVAZ-ZANVPECISA-N 1 0 269.772 3.121 20 10 CGCDRO CO[C@H](C[NH2+][C@H](C)c1ccccc1O)CC(C)C ZINC000841755719 635230037 /nfs/dbraw/zinc/23/00/37/635230037.db2.gz LRITXRVQCJAEPB-OLZOCXBDSA-N 1 0 251.370 3.104 20 10 CGCDRO C[C@H]([NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1)c1ccc(Cl)cc1O ZINC000841758502 635231641 /nfs/dbraw/zinc/23/16/41/635231641.db2.gz MFQXPUCICQILNR-NTZNESFSSA-N 1 0 294.826 3.321 20 10 CGCDRO OC[C@H](CC1CCCCC1)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000841761351 635232894 /nfs/dbraw/zinc/23/28/94/635232894.db2.gz IRQQYOKXGJDRAL-JKSUJKDBSA-N 1 0 289.419 3.300 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cccc(C)c1O)[C@@H](O)c1ccccc1 ZINC000877831979 635233549 /nfs/dbraw/zinc/23/35/49/635233549.db2.gz DIEKKXVPROKAHT-AEFFLSMTSA-N 1 0 285.387 3.302 20 10 CGCDRO CN(C)c1ccc(CN(C)C(C)(C)C[NH+]2CCCC2)cc1 ZINC000841894526 635250057 /nfs/dbraw/zinc/25/00/57/635250057.db2.gz YCCSWTZWZCBEHD-UHFFFAOYSA-N 1 0 289.467 3.059 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2CC3(C[C@@H]2C)CCOCC3)cc1C ZINC000842637212 635426125 /nfs/dbraw/zinc/42/61/25/635426125.db2.gz KYEXLARPHAALNX-HNNXBMFYSA-N 1 0 289.419 3.400 20 10 CGCDRO COC(=O)c1cc(C[N@H+](C)Cc2ccccc2O)ccc1C ZINC000878241088 635428520 /nfs/dbraw/zinc/42/85/20/635428520.db2.gz BBKQQVZRUQYJRB-UHFFFAOYSA-N 1 0 299.370 3.119 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(CO)cc1)c1ccc(C)cc1O ZINC000842896588 635508764 /nfs/dbraw/zinc/50/87/64/635508764.db2.gz XUVLIMUYRGNXSE-KRWDZBQOSA-N 1 0 285.387 3.434 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccc(CO)cc2)cc1 ZINC000842895217 635508845 /nfs/dbraw/zinc/50/88/45/635508845.db2.gz LEMFTOIELKQDQK-OAHLLOKOSA-N 1 0 298.430 3.486 20 10 CGCDRO Oc1cccc(Cl)c1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000843417595 635663075 /nfs/dbraw/zinc/66/30/75/635663075.db2.gz VECNVZGKFCDYHN-IUODEOHRSA-N 1 0 295.810 3.437 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000843419536 635664472 /nfs/dbraw/zinc/66/44/72/635664472.db2.gz XDVCEVAMNIBHPJ-GOSISDBHSA-N 1 0 295.430 3.446 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1)c1ccccc1O ZINC000879650202 635826712 /nfs/dbraw/zinc/82/67/12/635826712.db2.gz PBTXYYXPVZTUCB-FOCJUVANSA-N 1 0 261.365 3.000 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1F)c1ccccc1O ZINC000879649820 635826747 /nfs/dbraw/zinc/82/67/47/635826747.db2.gz VTRVLTWZSKVYED-QLJPJBMISA-N 1 0 293.313 3.055 20 10 CGCDRO C[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1F)c1ccccc1O ZINC000879652066 635828581 /nfs/dbraw/zinc/82/85/81/635828581.db2.gz VTRVLTWZSKVYED-QFYYESIMSA-N 1 0 293.313 3.055 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H]2CCc3c2cccc3O)c1O ZINC000105486795 635866666 /nfs/dbraw/zinc/86/66/66/635866666.db2.gz IILWCTXHWXJHPY-OAHLLOKOSA-N 1 0 299.370 3.274 20 10 CGCDRO CC[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)CCS1 ZINC000128041412 635873019 /nfs/dbraw/zinc/87/30/19/635873019.db2.gz WMWTVEOGSOHOMK-SNVBAGLBSA-N 1 0 271.813 3.373 20 10 CGCDRO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1Cc1cc(C)cc(OC)c1O ZINC000844724824 635957595 /nfs/dbraw/zinc/95/75/95/635957595.db2.gz FGJSOKPGIQSODY-CABCVRRESA-N 1 0 293.407 3.099 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H]2CNc3ccccc3C2)cc1C ZINC000844904904 635980886 /nfs/dbraw/zinc/98/08/86/635980886.db2.gz FAYRGYWYSNRAJK-MRXNPFEDSA-N 1 0 282.387 3.135 20 10 CGCDRO COc1ccc(C[NH2+]Cc2cccc3c2CCC3)c(O)c1 ZINC000845966432 636124861 /nfs/dbraw/zinc/12/48/61/636124861.db2.gz IQPZGFCYTSHROG-UHFFFAOYSA-N 1 0 283.371 3.179 20 10 CGCDRO CCOc1ccc(C[N@@H+]2C[C@@H](CC)OC[C@H]2CC)c(O)c1 ZINC000846027786 636132230 /nfs/dbraw/zinc/13/22/30/636132230.db2.gz QVAZJDVLORYSQQ-HUUCEWRRSA-N 1 0 293.407 3.180 20 10 CGCDRO C[C@H](COCC1CC1)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000846073722 636141754 /nfs/dbraw/zinc/14/17/54/636141754.db2.gz QGVWTYXZEOZNFB-MBVDDHJVSA-N 1 0 288.435 3.171 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]CCc2cccs2)c1O ZINC000846137747 636148748 /nfs/dbraw/zinc/14/87/48/636148748.db2.gz PTSSTIJGEJZKKU-NSHDSACASA-N 1 0 277.389 3.356 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]CCCC(F)(F)F)c1O ZINC000846143185 636149273 /nfs/dbraw/zinc/14/92/73/636149273.db2.gz BMGWPHVKKXDFFB-SECBINFHSA-N 1 0 277.286 3.394 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@H](CCO)CC(C)C)c1O ZINC000846148572 636149900 /nfs/dbraw/zinc/14/99/00/636149900.db2.gz QZDCLXDXNPGODS-UONOGXRCSA-N 1 0 295.423 3.096 20 10 CGCDRO CCOC[C@@H]([NH2+][C@@H](C)c1cccc(OC)c1O)C(C)C ZINC000846165421 636150967 /nfs/dbraw/zinc/15/09/67/636150967.db2.gz LRYCDDKSSZDRBO-GXTWGEPZSA-N 1 0 281.396 3.113 20 10 CGCDRO CCOC1CC(CC[NH2+][C@H](C)c2cccc(OC)c2O)C1 ZINC000846163607 636150995 /nfs/dbraw/zinc/15/09/95/636150995.db2.gz BTJGSLMXJASMOM-IYXRBSQSSA-N 1 0 293.407 3.257 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]CC2(OC)CCCCC2)c1O ZINC000846165667 636151034 /nfs/dbraw/zinc/15/10/34/636151034.db2.gz XGUSHIZNDMMRSQ-ZDUSSCGKSA-N 1 0 293.407 3.401 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)c2cncc(F)c2)c1O ZINC000846166246 636152117 /nfs/dbraw/zinc/15/21/17/636152117.db2.gz UCFXMLJOBUAEMZ-QWRGUYRKSA-N 1 0 290.338 3.347 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]CCC[C@@H]2CCCCO2)c1O ZINC000846166686 636152186 /nfs/dbraw/zinc/15/21/86/636152186.db2.gz ZQSZDXSMZSUCBN-KBPBESRZSA-N 1 0 293.407 3.401 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)c1O ZINC000846171022 636152695 /nfs/dbraw/zinc/15/26/95/636152695.db2.gz CNDFFYJKGXXPGE-UMSGYPCISA-N 1 0 261.365 3.240 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H](C)CC(F)F)c1O ZINC000846175140 636154165 /nfs/dbraw/zinc/15/41/65/636154165.db2.gz XDAJOZVWPFPNJY-UWVGGRQHSA-N 1 0 273.323 3.343 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](C)COCC2CC2)c1 ZINC000846205918 636158761 /nfs/dbraw/zinc/15/87/61/636158761.db2.gz UHABEUMQUDZACP-CHWSQXEVSA-N 1 0 263.381 3.166 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@](C)(O)C2)cc1F ZINC000129468742 636266571 /nfs/dbraw/zinc/26/65/71/636266571.db2.gz LJHGLTRBEALARS-KRWDZBQOSA-N 1 0 294.414 3.019 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H](C)N(C)C2CC2)cc1 ZINC000130805348 636515440 /nfs/dbraw/zinc/51/54/40/636515440.db2.gz OHTCRTXLEAYRNO-HUUCEWRRSA-N 1 0 289.467 3.276 20 10 CGCDRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)CS1 ZINC000848524520 636588194 /nfs/dbraw/zinc/58/81/94/636588194.db2.gz FLMRALHMJNKZIA-DGCLKSJQSA-N 1 0 282.428 3.265 20 10 CGCDRO C[C@H]([NH2+][C@H]1C[C@H](OC(C)(C)C)C1)c1ccccc1O ZINC000848565566 636608789 /nfs/dbraw/zinc/60/87/89/636608789.db2.gz KADOKLRGILUONP-AVGNSLFASA-N 1 0 263.381 3.389 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)c1cccc(OC)c1O)[C@@H]1CCCCO1 ZINC000848567982 636610703 /nfs/dbraw/zinc/61/07/03/636610703.db2.gz VHLHUZWQBZCOPM-QEJZJMRPSA-N 1 0 293.407 3.399 20 10 CGCDRO CCc1cccc(C[N@@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)c1O ZINC000848889825 636678149 /nfs/dbraw/zinc/67/81/49/636678149.db2.gz MVPGTWRSCNELEL-YOEHRIQHSA-N 1 0 299.418 3.234 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H](C)COCC(F)(F)F)c1O ZINC000848895664 636678600 /nfs/dbraw/zinc/67/86/00/636678600.db2.gz VIMXOERKKCIBLD-JTQLQIEISA-N 1 0 291.313 3.012 20 10 CGCDRO CCc1cccc(C[NH2+][C@H]2CCCc3nc(C)ncc32)c1O ZINC000848894651 636678740 /nfs/dbraw/zinc/67/87/40/636678740.db2.gz FYTYVFWBGGAMRN-INIZCTEOSA-N 1 0 297.402 3.220 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H](C)[C@@H](O)c2ccc(C)cc2)c1O ZINC000848910916 636686132 /nfs/dbraw/zinc/68/61/32/636686132.db2.gz OIMOCZDKAPEZEL-KBXCAEBGSA-N 1 0 299.414 3.475 20 10 CGCDRO CCc1cccc(C[NH2+]CCCc2ncccc2C)c1O ZINC000848915412 636688833 /nfs/dbraw/zinc/68/88/33/636688833.db2.gz HKDBPYNXBWVKFI-UHFFFAOYSA-N 1 0 284.403 3.380 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCC[C@](CO)(C(C)C)C2)c1O ZINC000848913637 636689095 /nfs/dbraw/zinc/68/90/95/636689095.db2.gz CXEIOXQJJPXNLF-SFHVURJKSA-N 1 0 291.435 3.185 20 10 CGCDRO CCc1cccc(C[NH+]2CC(C)(CC(F)F)C2)c1O ZINC000848919114 636691132 /nfs/dbraw/zinc/69/11/32/636691132.db2.gz FMUGIIGDVRBQFC-UHFFFAOYSA-N 1 0 269.335 3.432 20 10 CGCDRO Cc1cccc(C[NH2+][C@H](C2CC2)[C@@H]2CCCCO2)c1O ZINC000848922088 636693093 /nfs/dbraw/zinc/69/30/93/636693093.db2.gz LWRXMKXEOXGZJH-JKSUJKDBSA-N 1 0 275.392 3.138 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@H](CC)[C@H]2CCCOC2)c1 ZINC000883353253 636694816 /nfs/dbraw/zinc/69/48/16/636694816.db2.gz QWBBZLKDWMCSTG-XJKSGUPXSA-N 1 0 293.407 3.086 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@]23CCCO3)c(O)c1 ZINC000883365871 636707886 /nfs/dbraw/zinc/70/78/86/636707886.db2.gz IPNOBDCDZGSIIR-XKQJLSEDSA-N 1 0 275.392 3.453 20 10 CGCDRO CC[C@@H]([NH2+]CC1(O)CCC(C)CC1)c1ccccc1O ZINC000087045457 636789132 /nfs/dbraw/zinc/78/91/32/636789132.db2.gz CCRFEZCWIBUZGH-GNHJJJEISA-N 1 0 277.408 3.374 20 10 CGCDRO CC[C@H]([NH2+]CCCSc1nccs1)C1CC1 ZINC000132300689 636800039 /nfs/dbraw/zinc/80/00/39/636800039.db2.gz IDDLCQDJYZJZAC-NSHDSACASA-N 1 0 256.440 3.404 20 10 CGCDRO COc1ccc(O)c(C[N@H+](C)[C@@H]2CCC[C@H](C)C2)c1 ZINC000132740051 636833902 /nfs/dbraw/zinc/83/39/02/636833902.db2.gz DUIWVBZFTIWKBB-GXTWGEPZSA-N 1 0 263.381 3.411 20 10 CGCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3ccccc3)C2)cc1 ZINC000850345910 637022780 /nfs/dbraw/zinc/02/27/80/637022780.db2.gz NKTLMIWHSQMPDL-MRXNPFEDSA-N 1 0 282.387 3.064 20 10 CGCDRO CCC(O)(CC)C(C)(C)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000850354134 637023841 /nfs/dbraw/zinc/02/38/41/637023841.db2.gz WJTVWDCBCXCQSO-UHFFFAOYSA-N 1 0 291.435 3.288 20 10 CGCDRO CSCC1(CC[NH2+]Cc2ccccc2O)CC1 ZINC000850355867 637024721 /nfs/dbraw/zinc/02/47/21/637024721.db2.gz MERCCFPBABJOHM-UHFFFAOYSA-N 1 0 251.395 3.015 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2COC3(CCC3)C2)cc1 ZINC000850367524 637031189 /nfs/dbraw/zinc/03/11/89/637031189.db2.gz MARWMPNUYFWNDN-INIZCTEOSA-N 1 0 288.435 3.334 20 10 CGCDRO CCOc1ccc(C[NH2+][C@@H]2C[C@@H](O)c3ccccc32)c(O)c1 ZINC000850371266 637033635 /nfs/dbraw/zinc/03/36/35/637033635.db2.gz ICQZKGLTHUIDSO-SJLPKXTDSA-N 1 0 299.370 3.059 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](O)c3ccccc32)cc1C ZINC000850372706 637035926 /nfs/dbraw/zinc/03/59/26/637035926.db2.gz XQYQDWOPFUYYTM-DLBZAZTESA-N 1 0 283.371 3.272 20 10 CGCDRO CCSC1(C[NH2+]Cc2cc(C)c(C)cc2O)CC1 ZINC000850393701 637044672 /nfs/dbraw/zinc/04/46/72/637044672.db2.gz FDJXRXXLSFYVPH-UHFFFAOYSA-N 1 0 265.422 3.384 20 10 CGCDRO COc1ccc(N2CCC([NH2+][C@@H]3[C@@H]4CCC[C@@H]43)CC2)cc1 ZINC000850394024 637045316 /nfs/dbraw/zinc/04/53/16/637045316.db2.gz ZBHGHYFADRAATM-BCDXTJNWSA-N 1 0 286.419 3.052 20 10 CGCDRO CCOc1ccc(C[NH2+][C@H](C(C)C)C2CC2)c(O)c1 ZINC000850399275 637047565 /nfs/dbraw/zinc/04/75/65/637047565.db2.gz WLZYRQBCGTVAKI-MRXNPFEDSA-N 1 0 263.381 3.315 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H](O)[C@@H](C)c2ccccc2)cc1C ZINC000850412277 637052529 /nfs/dbraw/zinc/05/25/29/637052529.db2.gz VMCAIHKQMMVEGK-HNAYVOBHSA-N 1 0 299.414 3.263 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCSCC2)cc1F ZINC000850431450 637058671 /nfs/dbraw/zinc/05/86/71/637058671.db2.gz WZWOQQFZZONILC-CYBMUJFWSA-N 1 0 282.428 3.267 20 10 CGCDRO COC1CC(CC[NH2+][C@@H](C)c2ccc(C)c(C)c2O)C1 ZINC000850483292 637086453 /nfs/dbraw/zinc/08/64/53/637086453.db2.gz WEIKQFXXALOZQP-NFOMZHRRSA-N 1 0 277.408 3.475 20 10 CGCDRO CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850486718 637087750 /nfs/dbraw/zinc/08/77/50/637087750.db2.gz CXHWETZYDAWWHJ-ZNMIVQPWSA-N 1 0 276.424 3.298 20 10 CGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C(C)C)C3CC3)C2)cc1 ZINC000850487159 637088078 /nfs/dbraw/zinc/08/80/78/637088078.db2.gz GUKUTPHKICXKDH-QAPCUYQASA-N 1 0 288.435 3.298 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCC[C@@H]([S@](C)=O)C1)c1ccccc1O ZINC000850502873 637093050 /nfs/dbraw/zinc/09/30/50/637093050.db2.gz SDTKFRIJPMAFOI-XBEYBXDOSA-N 1 0 295.448 3.123 20 10 CGCDRO C[C@H]([NH2+]C/C=C\CO)c1ccc(N2CCCCC2)c(F)c1 ZINC000850509106 637095437 /nfs/dbraw/zinc/09/54/37/637095437.db2.gz PHEAGWHTALSPPD-XSHSDMCLSA-N 1 0 292.398 3.015 20 10 CGCDRO COc1cccc(F)c1[C@@H](C)[NH2+]Cc1ccccc1O ZINC000135224836 637097797 /nfs/dbraw/zinc/09/77/97/637097797.db2.gz UDEFATDSHFORGL-LLVKDONJSA-N 1 0 275.323 3.391 20 10 CGCDRO CC[C@@H]([NH2+]CCO[C@H]1CC1(F)F)c1ccc(C)cc1O ZINC000850521418 637101135 /nfs/dbraw/zinc/10/11/35/637101135.db2.gz VGKDZJDSDVJJOV-OCCSQVGLSA-N 1 0 285.334 3.166 20 10 CGCDRO C[C@H]([NH2+][C@@H]1C[C@H](O)c2ccccc21)c1cc(F)ccc1O ZINC000850528859 637107398 /nfs/dbraw/zinc/10/73/98/637107398.db2.gz NQIAFDKMVMBEFW-FGDXXIHYSA-N 1 0 287.334 3.360 20 10 CGCDRO C[C@H]([NH2+][C@H]1C[C@@H](O)c2ccccc21)c1cc(F)ccc1O ZINC000850528860 637107660 /nfs/dbraw/zinc/10/76/60/637107660.db2.gz NQIAFDKMVMBEFW-GLZQIGESSA-N 1 0 287.334 3.360 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2c(C3CC3)cnn2C)c(O)c1 ZINC000850534268 637111226 /nfs/dbraw/zinc/11/12/26/637111226.db2.gz IHLUJDIUBQCWQY-GFCCVEGCSA-N 1 0 285.391 3.162 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](C)CN2CCC(C)CC2)c1 ZINC000850543501 637115953 /nfs/dbraw/zinc/11/59/53/637115953.db2.gz KYSPZSMLJPPPGR-HZPDHXFCSA-N 1 0 290.451 3.472 20 10 CGCDRO C[C@@H](CN1CCC(C)CC1)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000850544038 637116013 /nfs/dbraw/zinc/11/60/13/637116013.db2.gz STZXGBYMAOZLKQ-GOEBONIOSA-N 1 0 288.435 3.090 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCc2cncc(C)n2)c(O)c1 ZINC000850551785 637117948 /nfs/dbraw/zinc/11/79/48/637117948.db2.gz VIQQELAPUIPSLO-AWEZNQCLSA-N 1 0 285.391 3.001 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]CCCc2ccco2)c1O ZINC000850569514 637127682 /nfs/dbraw/zinc/12/76/82/637127682.db2.gz GVQFUEJVWZPPEP-GFCCVEGCSA-N 1 0 275.348 3.277 20 10 CGCDRO C[C@H](O)[C@@H]([NH2+][C@H]1CCc2cccc(O)c21)c1ccccc1 ZINC000850583939 637132867 /nfs/dbraw/zinc/13/28/67/637132867.db2.gz OORWMIWPAZOKTM-XLWVJDPXSA-N 1 0 283.371 3.091 20 10 CGCDRO C[N@H+](CCSC(F)(F)F)Cc1ccccc1O ZINC000886065870 637397196 /nfs/dbraw/zinc/39/71/96/637397196.db2.gz XMEGRFZXDCLNFP-UHFFFAOYSA-N 1 0 265.300 3.077 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(C)co2)c1 ZINC000886153985 637439077 /nfs/dbraw/zinc/43/90/77/637439077.db2.gz WPGJADOBCWONDU-NSHDSACASA-N 1 0 261.321 3.153 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCCC[C@H]2[C@@H](C)CO)cc1 ZINC000852427057 637650644 /nfs/dbraw/zinc/65/06/44/637650644.db2.gz ZOYSTPWAXTWJQX-YJBOKZPZSA-N 1 0 290.451 3.126 20 10 CGCDRO CCn1nccc1C[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000853240268 637791865 /nfs/dbraw/zinc/79/18/65/637791865.db2.gz OHFSNGQSFHPQJE-ZWNOBZJWSA-N 1 0 289.354 3.086 20 10 CGCDRO CC[C@@H]([NH2+]CC1([NH3+])CCCC1)c1cccc(Cl)c1[O-] ZINC000854222531 638026078 /nfs/dbraw/zinc/02/60/78/638026078.db2.gz ICNFNLFXKALNOC-CYBMUJFWSA-N 1 0 282.815 3.358 20 10 CGCDRO COc1ccc(O)c(C[NH2+]Cc2cccc3[nH]ccc32)c1 ZINC000114505948 638374529 /nfs/dbraw/zinc/37/45/29/638374529.db2.gz HXDPBJAQHASVGQ-UHFFFAOYSA-N 1 0 282.343 3.172 20 10 CGCDRO Cc1cccc(C[NH+]2CC(C)(c3ccccc3)C2)c1O ZINC000857057626 638445227 /nfs/dbraw/zinc/44/52/27/638445227.db2.gz CTFRPCOSBANRSP-UHFFFAOYSA-N 1 0 267.372 3.474 20 10 CGCDRO CN(C)c1cc(F)c(C[NH2+]CCC2(F)CCC2)cc1F ZINC000858163699 638648253 /nfs/dbraw/zinc/64/82/53/638648253.db2.gz IHBXMTITCDAOID-UHFFFAOYSA-N 1 0 286.341 3.403 20 10 CGCDRO CCC[C@@]1([NH2+]Cc2cc(F)c(N(C)C)cc2F)CCOC1 ZINC000858163795 638648657 /nfs/dbraw/zinc/64/86/57/638648657.db2.gz LAOMCKDSRGWQNR-MRXNPFEDSA-N 1 0 298.377 3.080 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2cccc(C)c2F)c1 ZINC000858239100 638661893 /nfs/dbraw/zinc/66/18/93/638661893.db2.gz IZIAIAKWGHJUGH-UHFFFAOYSA-N 1 0 259.324 3.438 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H](C)c2ccns2)cc1C ZINC000858316938 638679202 /nfs/dbraw/zinc/67/92/02/638679202.db2.gz OMIRIQPHDYIGSK-NSHDSACASA-N 1 0 262.378 3.316 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccns1 ZINC000858316472 638679539 /nfs/dbraw/zinc/67/95/39/638679539.db2.gz CISXMBJSOMOZND-JTQLQIEISA-N 1 0 279.384 3.199 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1CC=C(C(=O)OC)C1)c1ccc(C)cc1O ZINC000858474827 638730745 /nfs/dbraw/zinc/73/07/45/638730745.db2.gz UVAGLAFDPNDOCT-UKRRQHHQSA-N 1 0 289.375 3.003 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@H]2CO[C@H](C3CC3)C2)c(O)c1 ZINC000858548637 638759430 /nfs/dbraw/zinc/75/94/30/638759430.db2.gz WJBRUXXADZWKCN-BJJXKVORSA-N 1 0 275.392 3.227 20 10 CGCDRO C[C@@H]([NH2+]CC1COC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000858550779 638760422 /nfs/dbraw/zinc/76/04/22/638760422.db2.gz VDSKJEOKBAHEID-CYBMUJFWSA-N 1 0 292.398 3.113 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@@H](C)c1ccnnc1 ZINC000926596501 638789549 /nfs/dbraw/zinc/78/95/49/638789549.db2.gz OXPZTGXGQJUYPF-CABCVRRESA-N 1 0 298.434 3.133 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)c(O)c1 ZINC000926937723 638827273 /nfs/dbraw/zinc/82/72/73/638827273.db2.gz XRSCVVLXTHYIIR-JONQDZQNSA-N 1 0 287.403 3.251 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]Cc2cc(C3CC3)n(C)n2)c(O)c1 ZINC000927109690 638843061 /nfs/dbraw/zinc/84/30/61/638843061.db2.gz VMTIXZMMPYHVPH-LBPRGKRZSA-N 1 0 285.391 3.162 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2c3ccccc3CC[C@H]2O)c(O)c1 ZINC000927142232 638847257 /nfs/dbraw/zinc/84/72/57/638847257.db2.gz ZTLVOPMUEWCWBT-XVSDVWIESA-N 1 0 297.398 3.400 20 10 CGCDRO C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCC2(CCC2)O1 ZINC000929975024 638965394 /nfs/dbraw/zinc/96/53/94/638965394.db2.gz CUDVEVKHUIKSGT-HNNXBMFYSA-N 1 0 275.392 3.316 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H]1C[C@@H](OC)C1)c1ccc(C)cc1O ZINC000858593042 638999336 /nfs/dbraw/zinc/99/93/36/638999336.db2.gz REYPEWOZNCELRO-VNHYZAJKSA-N 1 0 263.381 3.166 20 10 CGCDRO C[C@H]1CCCC[C@H]1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000042880579 639921868 /nfs/dbraw/zinc/92/18/68/639921868.db2.gz FRXBSBPFIKVNQF-RYUDHWBXSA-N 1 0 277.364 3.037 20 10 CGCDRO CC[N@H+](Cc1cc(OC)c(C)cc1O)C1CCCC1 ZINC000159864295 640075503 /nfs/dbraw/zinc/07/55/03/640075503.db2.gz WCVBBELJZAMKJE-UHFFFAOYSA-N 1 0 263.381 3.474 20 10 CGCDRO C[N@@H+]1CC[C@H](CSc2ncc(C(C)(C)C)s2)C1 ZINC000187694450 640093860 /nfs/dbraw/zinc/09/38/60/640093860.db2.gz BDGKLFUKKQTYQU-JTQLQIEISA-N 1 0 270.467 3.484 20 10 CGCDRO CC1(C)C[N@H+](Cc2cc3c(cc2O)CCC3)CCS1 ZINC000083630646 640598735 /nfs/dbraw/zinc/59/87/35/640598735.db2.gz XCAZLEZSNYJTCD-UHFFFAOYSA-N 1 0 277.433 3.208 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2CCS[C@@H](C)[C@H]2C)cc1C ZINC000246449081 640675469 /nfs/dbraw/zinc/67/54/69/640675469.db2.gz VKFSDYAAPXYQAJ-OLZOCXBDSA-N 1 0 265.422 3.335 20 10 CGCDRO C[C@@H]([NH2+][C@@H](CO)CC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000090588950 640685736 /nfs/dbraw/zinc/68/57/36/640685736.db2.gz JJZBOUPUEIBXPL-UKRRQHHQSA-N 1 0 278.440 3.200 20 10 CGCDRO C[C@H]([NH2+][C@@H](CO)CC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000090588949 640685920 /nfs/dbraw/zinc/68/59/20/640685920.db2.gz JJZBOUPUEIBXPL-DZGCQCFKSA-N 1 0 278.440 3.200 20 10 CGCDRO CCOc1ccc(O)c(C[N@H+](C)CC2CCCC2)c1 ZINC000092667402 640742387 /nfs/dbraw/zinc/74/23/87/640742387.db2.gz KIMDICSUBKMNTO-UHFFFAOYSA-N 1 0 263.381 3.413 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CCOC[C@H]2CC(C)C)c1 ZINC000093340294 640769062 /nfs/dbraw/zinc/76/90/62/640769062.db2.gz NWTUKAUNPQKRNF-OAHLLOKOSA-N 1 0 293.407 3.038 20 10 CGCDRO CC[C@H]1C[N@H+](Cc2cc(Cl)ccc2O)CCS1 ZINC000093502189 640774441 /nfs/dbraw/zinc/77/44/41/640774441.db2.gz GFJYNUVZLFPUJR-LBPRGKRZSA-N 1 0 271.813 3.373 20 10 CGCDRO CC[NH+](CC)C[C@H]1CCN(Cc2cc(Cl)ccc2O)C1 ZINC000093693233 640780497 /nfs/dbraw/zinc/78/04/97/640780497.db2.gz LDCMHEFZCZIJLP-CYBMUJFWSA-N 1 0 296.842 3.209 20 10 CGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000248882084 640785312 /nfs/dbraw/zinc/78/53/12/640785312.db2.gz KYNLOELRMCNPGB-XOIINTDNSA-N 1 0 276.424 3.318 20 10 CGCDRO CC(C)CCOCC[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000094618009 640800219 /nfs/dbraw/zinc/80/02/19/640800219.db2.gz WZDVQUVWDADOSI-LBPRGKRZSA-N 1 0 269.360 3.245 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1Cc2ccccc2O1)c1cc(F)ccc1O ZINC000094617739 640800233 /nfs/dbraw/zinc/80/02/33/640800233.db2.gz NCMIOPFHSYPMFC-SMDDNHRTSA-N 1 0 287.334 3.186 20 10 CGCDRO CCOCC[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000096970789 640850322 /nfs/dbraw/zinc/85/03/22/640850322.db2.gz ZVAZRIXZEVBROS-UHFFFAOYSA-N 1 0 275.348 3.024 20 10 CGCDRO CC[C@H]([NH2+]CC1(O)CCCC1)c1ccc(N(C)C)cc1 ZINC000305160467 640884624 /nfs/dbraw/zinc/88/46/24/640884624.db2.gz WXFOQZYFVIDCIY-INIZCTEOSA-N 1 0 276.424 3.098 20 10 CGCDRO CC(C)CC[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000021046911 641046120 /nfs/dbraw/zinc/04/61/20/641046120.db2.gz SLTIQZLTXRJLPD-INIZCTEOSA-N 1 0 290.451 3.438 20 10 CGCDRO Cc1ccc(N(C)Cc2ccc(N(C)C)cc2)[nH+]c1C ZINC001156923800 805752575 /nfs/dbraw/zinc/75/25/75/805752575.db2.gz GBSVXTBPDUITMT-UHFFFAOYSA-N 1 0 269.392 3.401 20 10 CGCDRO Nc1ccc(Nc2ccc(C3CC[NH2+]CC3)cc2)cc1 ZINC001159486219 806113121 /nfs/dbraw/zinc/11/31/21/806113121.db2.gz ZRIBXPVEZQMIMK-UHFFFAOYSA-N 1 0 267.376 3.479 20 10 CGCDRO c1cc2c(cc1Nc1ccc3c(c1)CCCN3)CC[NH2+]CC2 ZINC001159679792 806149211 /nfs/dbraw/zinc/14/92/11/806149211.db2.gz ZQQNRHSZOSRQJR-UHFFFAOYSA-N 1 0 293.414 3.477 20 10 CGCDRO CC[N@H+](Cc1ccccc1O)C1CCSCC1 ZINC001255094380 806540980 /nfs/dbraw/zinc/54/09/80/806540980.db2.gz VPMDTCNPBYVMAQ-UHFFFAOYSA-N 1 0 251.395 3.110 20 10 CGCDRO CCOC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2ccccc2O)C1 ZINC001255345798 806623787 /nfs/dbraw/zinc/62/37/87/806623787.db2.gz PKROINZIQCVRQC-MJBXVCDLSA-N 1 0 291.391 3.165 20 10 CGCDRO COC[C@@H](C)[NH2+][C@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001255568198 806675598 /nfs/dbraw/zinc/67/55/98/806675598.db2.gz RWTAOBRPSINUSK-WBMJQRKESA-N 1 0 277.408 3.257 20 10 CGCDRO CCOc1cccc(C[NH2+][C@H](C)Cc2ccco2)c1O ZINC000036993838 798853922 /nfs/dbraw/zinc/85/39/22/798853922.db2.gz HDMVFDKQGUNAJV-GFCCVEGCSA-N 1 0 275.348 3.105 20 10 CGCDRO COc1ccccc1C[C@@H](C)[NH2+]Cc1cc(C)ccc1O ZINC000071408132 798916707 /nfs/dbraw/zinc/91/67/07/798916707.db2.gz DHNYWHZDZBDPOU-CQSZACIVSA-N 1 0 285.387 3.430 20 10 CGCDRO COc1cc(C)cc(C[NH+]2CCCCCCC2)c1O ZINC000125634738 799002423 /nfs/dbraw/zinc/00/24/23/799002423.db2.gz DEFGOHTWFYTDPB-UHFFFAOYSA-N 1 0 263.381 3.475 20 10 CGCDRO C[C@@H]([NH2+]CC1(CO)CCC1)c1cc2c(cc1O)CCCC2 ZINC000186547392 799117837 /nfs/dbraw/zinc/11/78/37/799117837.db2.gz QMWMQBHIMMHJGG-CYBMUJFWSA-N 1 0 289.419 3.084 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CCOC[C@H]1C ZINC000312221328 799226392 /nfs/dbraw/zinc/22/63/92/799226392.db2.gz BZNFFTXOGHINKT-SYQHCUMBSA-N 1 0 275.392 3.264 20 10 CGCDRO CSCCCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000380124438 799358386 /nfs/dbraw/zinc/35/83/86/799358386.db2.gz NJTHQVGYPXSDLQ-GFCCVEGCSA-N 1 0 251.395 3.112 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@H](OC)C2CC2)cc1 ZINC000381104421 799371838 /nfs/dbraw/zinc/37/18/38/799371838.db2.gz HPBAMMCVZKNKNF-KRWDZBQOSA-N 1 0 276.424 3.047 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]C[C@@H]1Cc3ccccc31)CC2 ZINC000381211474 799374521 /nfs/dbraw/zinc/37/45/21/799374521.db2.gz VEQXEOXGAHSJOX-GOEBONIOSA-N 1 0 265.356 3.309 20 10 CGCDRO CC[C@H](C[NH2+]Cc1ccc(N(CC)CC)cc1)OC ZINC000381765657 799387027 /nfs/dbraw/zinc/38/70/27/799387027.db2.gz VILDFNCFNGQWDJ-MRXNPFEDSA-N 1 0 264.413 3.047 20 10 CGCDRO COc1cccc(C[NH2+][C@@H]2CC3CCC2CC3)c1O ZINC000381777465 799387313 /nfs/dbraw/zinc/38/73/13/799387313.db2.gz XNCMLOGUHGMPGB-ORHYLEIMSA-N 1 0 261.365 3.069 20 10 CGCDRO Cc1ccc(C[C@@H](C)[NH2+]CCc2ccc(O)c(O)c2)cc1 ZINC001255775255 806746062 /nfs/dbraw/zinc/74/60/62/806746062.db2.gz UHIRFFOAURUKKD-CQSZACIVSA-N 1 0 285.387 3.170 20 10 CGCDRO CC[N@H+](Cc1cc(OC)ccc1O)CC(C)(C)C ZINC000386089087 799432194 /nfs/dbraw/zinc/43/21/94/799432194.db2.gz IBINYLGQBDMSCS-UHFFFAOYSA-N 1 0 251.370 3.269 20 10 CGCDRO COc1cccc(C[NH2+]C[C@@H]2CCCC2(C)C)c1O ZINC000388986694 799458918 /nfs/dbraw/zinc/45/89/18/799458918.db2.gz OSRZETDOLLGFCZ-ZDUSSCGKSA-N 1 0 263.381 3.317 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccnc(C)c1)c1ccccc1O ZINC000391141714 799477168 /nfs/dbraw/zinc/47/71/68/799477168.db2.gz KTGWOIBGBXVRRJ-OAHLLOKOSA-N 1 0 256.349 3.337 20 10 CGCDRO Cc1cc(Br)cc(C[NH2+][C@@H]2CC[C@H]2C)c1O ZINC000393792252 799491337 /nfs/dbraw/zinc/49/13/37/799491337.db2.gz HQYAHVBLYRWXCY-PRHODGIISA-N 1 0 284.197 3.351 20 10 CGCDRO C[C@@H](CCCO)C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000395000921 799501745 /nfs/dbraw/zinc/50/17/45/799501745.db2.gz FTMXYPRNEHIECP-INIZCTEOSA-N 1 0 290.451 3.175 20 10 CGCDRO COc1cccc(C[NH2+]CC(C)(C)C2CCC2)c1O ZINC000395417876 799506167 /nfs/dbraw/zinc/50/61/67/799506167.db2.gz ZYIFXXCZMHLUGJ-UHFFFAOYSA-N 1 0 263.381 3.317 20 10 CGCDRO CC(C)CSCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000397318830 799514948 /nfs/dbraw/zinc/51/49/48/799514948.db2.gz RZTLKRFHTSBTAR-CYBMUJFWSA-N 1 0 265.422 3.358 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CSC[C@H]1C)c1ccc(N(C)C)cc1 ZINC000397883459 799521666 /nfs/dbraw/zinc/52/16/66/799521666.db2.gz AUCAFQVAWOYDLC-TYNCELHUSA-N 1 0 264.438 3.155 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCC[C@H]2CCOC2)c1 ZINC000402012861 799559429 /nfs/dbraw/zinc/55/94/29/799559429.db2.gz BSRGVJARRQOVAY-KBPBESRZSA-N 1 0 263.381 3.168 20 10 CGCDRO Cc1cccnc1CC[NH2+][C@H](C)c1cc(F)ccc1O ZINC000405072949 799581719 /nfs/dbraw/zinc/58/17/19/799581719.db2.gz HUCJRRPXVCWKNO-GFCCVEGCSA-N 1 0 274.339 3.128 20 10 CGCDRO CCOc1cccc(C[N@H+](C[C@@H](C)OC)C(C)C)c1O ZINC000688107037 799744835 /nfs/dbraw/zinc/74/48/35/799744835.db2.gz SIRRBSCAUBEBOR-CYBMUJFWSA-N 1 0 281.396 3.036 20 10 CGCDRO CC[C@H]([NH2+]C[C@H]1CCC[C@H](C)O1)c1ccccc1O ZINC000688872253 799755952 /nfs/dbraw/zinc/75/59/52/799755952.db2.gz AVVOFHDMRNUKGM-GUTXKFCHSA-N 1 0 263.381 3.391 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCC[C@@H](C)O2)c1 ZINC000688879491 799756053 /nfs/dbraw/zinc/75/60/53/799756053.db2.gz PWFMEHHEVUTYGA-DYEKYZERSA-N 1 0 279.380 3.009 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]C[C@H]2CCC[C@@H](C)O2)c1O ZINC000688903986 799757528 /nfs/dbraw/zinc/75/75/28/799757528.db2.gz ZUFIFDOZRWWCCJ-ZWNOBZJWSA-N 1 0 299.798 3.101 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CC[C@@H](C)SC1)c1ccccc1O ZINC000689608174 799766245 /nfs/dbraw/zinc/76/62/45/799766245.db2.gz HCTZFSABFBWDAJ-IJLUTSLNSA-N 1 0 251.395 3.327 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCN2C(C)(C)C)c1 ZINC000690375365 799775126 /nfs/dbraw/zinc/77/51/26/799775126.db2.gz NUFKLPMFRXHTKK-KGLIPLIRSA-N 1 0 276.424 3.224 20 10 CGCDRO Oc1cc(Br)ccc1C[NH2+]CCC1CC1 ZINC000691394423 799783557 /nfs/dbraw/zinc/78/35/57/799783557.db2.gz DWWZNUMEZRUVMX-UHFFFAOYSA-N 1 0 270.170 3.044 20 10 CGCDRO CCc1cccc(C[NH2+]CCCC(C)(F)F)c1O ZINC000691450823 799784202 /nfs/dbraw/zinc/78/42/02/799784202.db2.gz ZLVJMCRJJKRFCH-UHFFFAOYSA-N 1 0 257.324 3.480 20 10 CGCDRO CCc1cccc(C[NH2+]Cc2cnc(C)s2)c1O ZINC000691498156 799785509 /nfs/dbraw/zinc/78/55/09/799785509.db2.gz YYAWNWWUUWHRKL-UHFFFAOYSA-N 1 0 262.378 3.009 20 10 CGCDRO CCSC1(C[NH2+][C@@H](C)c2ccccc2O)CC1 ZINC000691826631 799788131 /nfs/dbraw/zinc/78/81/31/799788131.db2.gz DFCOEKCSZRHRKJ-NSHDSACASA-N 1 0 251.395 3.329 20 10 CGCDRO CCSC1(C[NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000691872722 799790150 /nfs/dbraw/zinc/79/01/50/799790150.db2.gz HEWJNBUBGWVBAM-LBPRGKRZSA-N 1 0 263.406 3.255 20 10 CGCDRO CCOc1cccc(C[NH2+][C@]23C[C@H]2CCCC3)c1O ZINC000693234684 799809740 /nfs/dbraw/zinc/80/97/40/799809740.db2.gz VMPGBNUMASSCMJ-CZUORRHYSA-N 1 0 261.365 3.213 20 10 CGCDRO CO[C@@H](C[NH2+]Cc1cc(F)ccc1O)C1CCCCC1 ZINC000695113870 799825452 /nfs/dbraw/zinc/82/54/52/799825452.db2.gz QSKLVYZECOSSLD-INIZCTEOSA-N 1 0 281.371 3.216 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCCC(F)(F)C2)c1 ZINC000695128005 799826608 /nfs/dbraw/zinc/82/66/08/799826608.db2.gz TVFQSRGFFHPYBU-LLVKDONJSA-N 1 0 271.307 3.068 20 10 CGCDRO C[C@H]([NH2+][C@@H]1[C@H](C)O[C@@H](C)[C@H]1C)c1ccc(N(C)C)cc1 ZINC000701021636 799883354 /nfs/dbraw/zinc/88/33/54/799883354.db2.gz SYKZHLISZDQSKT-RVFOSREFSA-N 1 0 276.424 3.215 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CC[C@@H]2CC2(F)F)c1 ZINC000701944758 799898930 /nfs/dbraw/zinc/89/89/30/799898930.db2.gz BUBVVPHEDSDUIZ-WDEREUQCSA-N 1 0 255.308 3.397 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC[C@@H]2CC2(F)F)c1 ZINC000701949400 799900202 /nfs/dbraw/zinc/90/02/02/799900202.db2.gz CRBGMZOKMDWLEE-VHSXEESVSA-N 1 0 271.307 3.097 20 10 CGCDRO CC[C@H]([NH2+]CC1SCCS1)c1ccccc1O ZINC000703061723 799918549 /nfs/dbraw/zinc/91/85/49/799918549.db2.gz ZSMLQSWCCRFMEI-NSHDSACASA-N 1 0 269.435 3.239 20 10 CGCDRO C[C@@H]([NH2+]CCC1SCCS1)c1cc(F)ccc1O ZINC000703382283 799922706 /nfs/dbraw/zinc/92/27/06/799922706.db2.gz YOUQFVLTDPWPMM-SECBINFHSA-N 1 0 287.425 3.378 20 10 CGCDRO C[C@H]1CC[C@@H]1[NH2+]Cc1c(O)cccc1Br ZINC000706829133 799967353 /nfs/dbraw/zinc/96/73/53/799967353.db2.gz MAHNBXKSZSRDIF-KWQFWETISA-N 1 0 270.170 3.043 20 10 CGCDRO CC(C)=CC[NH2+]Cc1c(O)cccc1Br ZINC000706830537 799967789 /nfs/dbraw/zinc/96/77/89/799967789.db2.gz ZMMMOYBAKQZNNJ-UHFFFAOYSA-N 1 0 270.170 3.211 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCCC23CC3)c1 ZINC000706918853 799968427 /nfs/dbraw/zinc/96/84/27/799968427.db2.gz ZULIXIBCDPLVGW-ABAIWWIYSA-N 1 0 261.365 3.384 20 10 CGCDRO C[C@@H]1CCC[C@H]1[NH2+]Cc1c(O)cccc1Br ZINC000706857801 799968517 /nfs/dbraw/zinc/96/85/17/799968517.db2.gz FXUQOZHMQGOIIB-BXKDBHETSA-N 1 0 284.197 3.433 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCCC23CC3)c1O ZINC000706938526 799970276 /nfs/dbraw/zinc/97/02/76/799970276.db2.gz VUWYLOUVIJZAMS-CYBMUJFWSA-N 1 0 281.783 3.477 20 10 CGCDRO CC[C@H](C)[N@H+](C)Cc1c(O)cccc1Br ZINC000707129670 799973052 /nfs/dbraw/zinc/97/30/52/799973052.db2.gz OWLKDVJUVOCFOL-VIFPVBQESA-N 1 0 272.186 3.385 20 10 CGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](CF)C2)c1O ZINC000711501227 800064796 /nfs/dbraw/zinc/06/47/96/800064796.db2.gz ZETDTIZOWYRTKW-JTQLQIEISA-N 1 0 287.762 3.236 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H](C)CC1(C)OCCO1)c1ccccc1O ZINC000715995770 800158558 /nfs/dbraw/zinc/15/85/58/800158558.db2.gz DHRIQNGZRVOVPQ-UKRRQHHQSA-N 1 0 293.407 3.222 20 10 CGCDRO CO[C@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)ccc2O)CC1 ZINC000718372951 800215929 /nfs/dbraw/zinc/21/59/29/800215929.db2.gz HLVDWCJQEQMCDZ-KGLIPLIRSA-N 1 0 283.799 3.483 20 10 CGCDRO Cc1nc(C[NH2+][C@@H](C)c2ccccc2O)sc1C ZINC000719626137 800246843 /nfs/dbraw/zinc/24/68/43/800246843.db2.gz PORROPSHBWKZAC-JTQLQIEISA-N 1 0 262.378 3.316 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@@H]2CC[C@@H](C3CC3)O2)c1O ZINC000722321382 800313200 /nfs/dbraw/zinc/31/32/00/800313200.db2.gz RLUSSQBFIROIEP-HOTGVXAUSA-N 1 0 275.392 3.002 20 10 CGCDRO CCC[N@H+](Cc1ccccc1O)CC1(SC)CC1 ZINC000809556762 800446251 /nfs/dbraw/zinc/44/62/51/800446251.db2.gz JYDCGHUYPTZUPM-UHFFFAOYSA-N 1 0 265.422 3.500 20 10 CGCDRO CO[C@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)[C@H](C)C1 ZINC001116908975 802427971 /nfs/dbraw/zinc/42/79/71/802427971.db2.gz MKWXFBOLPFWGNB-QAPCUYQASA-N 1 0 288.435 3.286 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC)C1)c1ccc(F)cc1[O-] ZINC001117139604 802437472 /nfs/dbraw/zinc/43/74/72/802437472.db2.gz OHCNBLOHMNLOPY-CZUORRHYSA-N 1 0 294.414 3.304 20 10 CGCDRO c1cc(N2CCCC2)ccc1C[NH2+][C@@H]1[C@@H]2CCC[C@@H]21 ZINC001118628983 802590636 /nfs/dbraw/zinc/59/06/36/802590636.db2.gz PZNDWDWDBIJJNC-BJWYYQGGSA-N 1 0 256.393 3.175 20 10 CGCDRO Cc1nc2c(s1)[C@H]([NH2+]Cc1cc(F)ccc1O)CCC2 ZINC001180302097 809991686 /nfs/dbraw/zinc/99/16/86/809991686.db2.gz SYJHOTMRLRWNOA-GFCCVEGCSA-N 1 0 292.379 3.463 20 10 CGCDRO CCN(CC)c1ccc(CNc2cc[nH+]cc2)cc1F ZINC001120860875 802787856 /nfs/dbraw/zinc/78/78/56/802787856.db2.gz UWOZYKTYARTPFZ-UHFFFAOYSA-N 1 0 273.355 3.101 20 10 CGCDRO Cc1cc(C)c(C[N@@H+](C)Cc2ccc(N(C)C)cc2)[nH]1 ZINC001137332363 803718232 /nfs/dbraw/zinc/71/82/32/803718232.db2.gz QZHHGUMLQCLJBZ-UHFFFAOYSA-N 1 0 271.408 3.330 20 10 CGCDRO CC[N@H+](Cc1ccccc1O)Cc1c([O-])cccc1F ZINC001137839810 803779610 /nfs/dbraw/zinc/77/96/10/803779610.db2.gz KYJYQVMXCKZAQK-UHFFFAOYSA-N 1 0 275.323 3.259 20 10 CGCDRO Cc1cc(C[N@@H+]2CCC[C@H](O)CC2)c(C)n1-c1ccccc1 ZINC001137854287 803786384 /nfs/dbraw/zinc/78/63/84/803786384.db2.gz PNUKLCIDUARWPN-IBGZPJMESA-N 1 0 298.430 3.441 20 10 CGCDRO OC[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC001138214031 803874384 /nfs/dbraw/zinc/87/43/84/803874384.db2.gz NIZHYPJOWWLJSZ-GOSISDBHSA-N 1 0 288.435 3.024 20 10 CGCDRO Cc1c(C[N@@H+](CCCO)C(C)C)c2ccccc2n1C ZINC001138256930 803882599 /nfs/dbraw/zinc/88/25/99/803882599.db2.gz PTLOTEXSSXILJB-UHFFFAOYSA-N 1 0 274.408 3.080 20 10 CGCDRO Cc1c(C[N@H+](C)Cc2cnc(C)nc2)c2ccccc2n1C ZINC001138257928 803885409 /nfs/dbraw/zinc/88/54/09/803885409.db2.gz DMSWOACNMRLRGS-UHFFFAOYSA-N 1 0 294.402 3.217 20 10 CGCDRO CN1CCCc2cc(C[N@H+](C)Cc3ccncc3)ccc21 ZINC001138355028 803899963 /nfs/dbraw/zinc/89/99/63/803899963.db2.gz ZETAVUHKNBMJSM-UHFFFAOYSA-N 1 0 281.403 3.096 20 10 CGCDRO CN1CCCc2cc(CN3CC[C@](C)(F)[C@H](F)C3)ccc21 ZINC001138354613 803900068 /nfs/dbraw/zinc/90/00/68/803900068.db2.gz PESJRLXTMKDVSC-SJORKVTESA-N 1 0 294.389 3.341 20 10 CGCDRO CN1CCCc2cc(C[N@H+](C)Cc3ccccc3O)ccc21 ZINC001138356967 803900624 /nfs/dbraw/zinc/90/06/24/803900624.db2.gz WLOXBQAFQPLPLS-UHFFFAOYSA-N 1 0 296.414 3.407 20 10 CGCDRO CN1CCCc2cc(CN3CC[C@@](C)(F)[C@@H](F)C3)ccc21 ZINC001138354610 803900796 /nfs/dbraw/zinc/90/07/96/803900796.db2.gz PESJRLXTMKDVSC-DLBZAZTESA-N 1 0 294.389 3.341 20 10 CGCDRO CCN(CC)c1ccc(C[NH+]2CCCC2)c(OC)c1 ZINC001138388602 803913967 /nfs/dbraw/zinc/91/39/67/803913967.db2.gz YWFZYVCDJPYEPW-UHFFFAOYSA-N 1 0 262.397 3.137 20 10 CGCDRO CCC(=O)Oc1ccc(C[N@H+](C)Cc2ccccc2O)cc1 ZINC001138965252 804089287 /nfs/dbraw/zinc/08/92/87/804089287.db2.gz LOVQGLAKELZNQB-UHFFFAOYSA-N 1 0 299.370 3.340 20 10 CGCDRO O[C@@]1(CNc2ccc(/N=N/c3ccccc3)cc2)CC[NH2+]C1 ZINC001245962629 804089508 /nfs/dbraw/zinc/08/95/08/804089508.db2.gz SLSPKYOXZNHPGR-UAFUQJIBSA-N 1 0 296.374 3.238 20 10 CGCDRO Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+](C)CC(C)(C)C ZINC001139129377 804134707 /nfs/dbraw/zinc/13/47/07/804134707.db2.gz XOIPPWMDKKIYSY-UHFFFAOYSA-N 1 0 289.375 3.285 20 10 CGCDRO Cc1cc(C[N@@H+]2CC(C)(C)C[C@]2(C)CO)ccc1N(C)C ZINC001139669590 804244960 /nfs/dbraw/zinc/24/49/60/804244960.db2.gz CAMRGBWBCZILQV-GOSISDBHSA-N 1 0 290.451 3.044 20 10 CGCDRO Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)ccc1N(C)C ZINC001139669961 804247525 /nfs/dbraw/zinc/24/75/25/804247525.db2.gz RMSUKVPAAXYRBR-IYBDPMFKSA-N 1 0 258.409 3.293 20 10 CGCDRO Oc1cccc(Br)c1C[N@@H+]1CCC2(CC2)C1 ZINC001140100062 804377119 /nfs/dbraw/zinc/37/71/19/804377119.db2.gz DAIZUDRKMZHEOD-UHFFFAOYSA-N 1 0 282.181 3.141 20 10 CGCDRO CCCCOC1C[NH+](Cc2c(C)ccc(C)c2O)C1 ZINC001140179407 804397379 /nfs/dbraw/zinc/39/73/79/804397379.db2.gz JUWQIUABQBINBC-UHFFFAOYSA-N 1 0 263.381 3.010 20 10 CGCDRO CO[C@@H]1CC[N@H+](Cc2c(C)ccc(C)c2O)[C@@H](C)C1 ZINC001140184675 804399274 /nfs/dbraw/zinc/39/92/74/804399274.db2.gz DPZIOOBSGZKELS-UONOGXRCSA-N 1 0 263.381 3.008 20 10 CGCDRO Cc1ccc2n[nH]c(C[N@@H+]3CCc4cccc(O)c4C3)c2c1 ZINC001140333828 804416805 /nfs/dbraw/zinc/41/68/05/804416805.db2.gz SAFMVSPPOQLUSJ-UHFFFAOYSA-N 1 0 293.370 3.135 20 10 CGCDRO Cc1ccc2n[nH]c(C[N@@H+](C)Cc3ccccc3O)c2c1 ZINC001140333918 804417003 /nfs/dbraw/zinc/41/70/03/804417003.db2.gz WDVONAHQEKKZKN-UHFFFAOYSA-N 1 0 281.359 3.209 20 10 CGCDRO CCN(CC[NH+]1CCCCC1)Cc1c(O)cccc1Cl ZINC001140341253 804419810 /nfs/dbraw/zinc/41/98/10/804419810.db2.gz GSFTXBDVPHYGQU-UHFFFAOYSA-N 1 0 296.842 3.353 20 10 CGCDRO Oc1cccc(Cl)c1C[NH+]1CCC2(C[C@H](F)CO2)CC1 ZINC001140341758 804420847 /nfs/dbraw/zinc/42/08/47/804420847.db2.gz GNWOIICKMKHMBY-NSHDSACASA-N 1 0 299.773 3.139 20 10 CGCDRO Oc1cc(Cl)ccc1C[NH+]1CCC(n2ccnc2)CC1 ZINC001140465419 804443700 /nfs/dbraw/zinc/44/37/00/804443700.db2.gz MTGMVTFCHOLWRD-UHFFFAOYSA-N 1 0 291.782 3.079 20 10 CGCDRO CCCC[N@H+](CC)Cc1ccc(N2CCOCC2)cc1F ZINC001140662242 804487471 /nfs/dbraw/zinc/48/74/71/804487471.db2.gz KRWVGDOPIKKLRZ-UHFFFAOYSA-N 1 0 294.414 3.284 20 10 CGCDRO C[N@H+](Cc1cc[nH]c1)Cc1ccc(N2CCCC2)cc1 ZINC001140707226 804493417 /nfs/dbraw/zinc/49/34/17/804493417.db2.gz CWQYWMPARLCZFN-UHFFFAOYSA-N 1 0 269.392 3.247 20 10 CGCDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@@H](c3ccccn3)C2)c1O ZINC001140746290 804502625 /nfs/dbraw/zinc/50/26/25/804502625.db2.gz YADLZSZMMLMDJT-CQSZACIVSA-N 1 0 298.386 3.181 20 10 CGCDRO Cc1c(O)ccc(C[NH+]2CCC(c3ccncc3)CC2)c1O ZINC001140745369 804502704 /nfs/dbraw/zinc/50/27/04/804502704.db2.gz HGJVKIFEKZXNCK-UHFFFAOYSA-N 1 0 298.386 3.181 20 10 CGCDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@H](c3ccccn3)C2)c1O ZINC001140746288 804503585 /nfs/dbraw/zinc/50/35/85/804503585.db2.gz YADLZSZMMLMDJT-AWEZNQCLSA-N 1 0 298.386 3.181 20 10 CGCDRO CN(Cc1ccccc1O)[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256924428 807013384 /nfs/dbraw/zinc/01/33/84/807013384.db2.gz XBALWPIFOZAMSZ-QGZVFWFLSA-N 1 0 288.435 3.231 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCCC[C@H]2CN2CCCC2)c(O)c1 ZINC001140949891 804555470 /nfs/dbraw/zinc/55/54/70/804555470.db2.gz OPMJSKFKZXJIGC-KRWDZBQOSA-N 1 0 288.435 3.151 20 10 CGCDRO Cc1ccc(N2CC[NH+](Cc3ccc(C)cc3O)CC2)cc1 ZINC001140948501 804555826 /nfs/dbraw/zinc/55/58/26/804555826.db2.gz KKSXQWNEFHGYTP-UHFFFAOYSA-N 1 0 296.414 3.331 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCCC(F)(F)[C@H](F)C2)c(O)c1 ZINC001140948196 804555836 /nfs/dbraw/zinc/55/58/36/804555836.db2.gz XWLRCSGURFBRBF-CYBMUJFWSA-N 1 0 273.298 3.270 20 10 CGCDRO Cc1ccc(C[NH+]2CCC3(CCOC3(C)C)CC2)c(O)c1 ZINC001140954037 804558742 /nfs/dbraw/zinc/55/87/42/804558742.db2.gz JUGODLLSERLBDL-UHFFFAOYSA-N 1 0 289.419 3.482 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CC[C@H]3CCC[C@@H]3C2)c(OC)c1 ZINC001141026660 804572824 /nfs/dbraw/zinc/57/28/24/804572824.db2.gz YOFMRVQRAZBVIE-CHWSQXEVSA-N 1 0 291.391 3.031 20 10 CGCDRO COc1cc(O)c(C[N@H+](C)CC2CCCC2)c(OC)c1 ZINC001141028835 804575554 /nfs/dbraw/zinc/57/55/54/804575554.db2.gz BJJNUNNYKXPYKV-UHFFFAOYSA-N 1 0 279.380 3.031 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)c(OC)c1 ZINC001141029175 804575897 /nfs/dbraw/zinc/57/58/97/804575897.db2.gz LEOWCPZCJWFOKC-SWLSCSKDSA-N 1 0 291.391 3.174 20 10 CGCDRO c1c(C[NH+]2CC3(CCC3)C2)cc2c3c1CCCN3CCC2 ZINC001141075410 804584278 /nfs/dbraw/zinc/58/42/78/804584278.db2.gz PROFYLWYWOWKCL-UHFFFAOYSA-N 1 0 282.431 3.371 20 10 CGCDRO C[C@H]1CCC[N@@H+]1Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141074595 804584714 /nfs/dbraw/zinc/58/47/14/804584714.db2.gz NJBDGIHKJCWLNW-AWEZNQCLSA-N 1 0 270.420 3.370 20 10 CGCDRO C[C@@H]1C[C@@H](F)C[N@@H+]1Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141074593 804585580 /nfs/dbraw/zinc/58/55/80/804585580.db2.gz NGLFDRVNWCKZKJ-CXAGYDPISA-N 1 0 288.410 3.318 20 10 CGCDRO CC[NH+](CC)Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141074338 804585792 /nfs/dbraw/zinc/58/57/92/804585792.db2.gz FJNNOYDFFURIEV-UHFFFAOYSA-N 1 0 258.409 3.227 20 10 CGCDRO CN1CCOc2cc(C[N@H+](C)CCc3ccccc3)ccc21 ZINC001141139568 804596500 /nfs/dbraw/zinc/59/65/00/804596500.db2.gz XHNOLIWMUWHHHD-UHFFFAOYSA-N 1 0 296.414 3.190 20 10 CGCDRO Oc1ccc(O)c(C[N@@H+]2CC[C@@H](c3ccccc3)C2)c1 ZINC001141156656 804600029 /nfs/dbraw/zinc/60/00/29/804600029.db2.gz PWDGWIDVCTTWEG-CQSZACIVSA-N 1 0 269.344 3.087 20 10 CGCDRO COc1cccc([C@@H]2CC[N@H+](Cc3cc(O)ccc3O)C2)c1 ZINC001141162197 804601322 /nfs/dbraw/zinc/60/13/22/804601322.db2.gz MFFKXPBAOWMBAM-CQSZACIVSA-N 1 0 299.370 3.096 20 10 CGCDRO CC[N@H+](Cc1cccc(OC)c1)Cc1cc(O)ccc1O ZINC001141160749 804601877 /nfs/dbraw/zinc/60/18/77/804601877.db2.gz HMJIRYQFIUXTFF-UHFFFAOYSA-N 1 0 287.359 3.129 20 10 CGCDRO CC(C)(C)c1cccc(C[N@@H+]2CCC[C@H](CCO)C2)c1O ZINC001143110534 804803338 /nfs/dbraw/zinc/80/33/38/804803338.db2.gz IKMICKWDEYNUGA-CQSZACIVSA-N 1 0 291.435 3.284 20 10 CGCDRO COc1cc(F)c(F)cc1C[N@H+](C)Cc1ccccc1O ZINC001143399732 804848167 /nfs/dbraw/zinc/84/81/67/804848167.db2.gz CSXGJLWTOLCDGS-UHFFFAOYSA-N 1 0 293.313 3.311 20 10 CGCDRO C[NH+](C)C1CN(Cc2cc(Cl)c(C(C)(C)C)cc2O)C1 ZINC001248881030 805030024 /nfs/dbraw/zinc/03/00/24/805030024.db2.gz OQOBLLZBCSZUCQ-UHFFFAOYSA-N 1 0 296.842 3.089 20 10 CGCDRO CC(C)(C)c1cc(O)c(C[N@@H+]2CC[C@@H](CO)C2)cc1Cl ZINC001248883463 805033129 /nfs/dbraw/zinc/03/31/29/805033129.db2.gz HYPMDOCVVZZJBK-LLVKDONJSA-N 1 0 297.826 3.157 20 10 CGCDRO CCN(Cc1ccccc1O)c1cc(C)cc(C)[nH+]1 ZINC001154890440 805506098 /nfs/dbraw/zinc/50/60/98/805506098.db2.gz ZXRRVAXPPRWBAD-UHFFFAOYSA-N 1 0 256.349 3.431 20 10 CGCDRO COc1ccc(N2CC[NH+](C3CCCC3)CC2)c(C)c1 ZINC001257354540 807119977 /nfs/dbraw/zinc/11/99/77/807119977.db2.gz GXNQBTFXMNFYAR-UHFFFAOYSA-N 1 0 274.408 3.068 20 10 CGCDRO CCCCCC[C@H](C)[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC001257361167 807122720 /nfs/dbraw/zinc/12/27/20/807122720.db2.gz FHJZINGDEQIARX-LBPRGKRZSA-N 1 0 279.380 3.229 20 10 CGCDRO CC(C)C[C@@H](C)C[C@@H](C)[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001258053677 807279451 /nfs/dbraw/zinc/27/94/51/807279451.db2.gz WIRIKEXAKLHONY-XNJGSVPQSA-N 1 0 295.423 3.182 20 10 CGCDRO CC(C)C[C@@H](C)C[C@H](C)[NH2+]CCc1cc(O)c(O)cc1O ZINC001258057140 807281170 /nfs/dbraw/zinc/28/11/70/807281170.db2.gz RVAQJUCQCGMKAP-OLZOCXBDSA-N 1 0 295.423 3.396 20 10 CGCDRO C[C@@H]1CC([NH2+]CCc2ccc(O)c(O)c2)C[C@@H](C)C1 ZINC001258150480 807320421 /nfs/dbraw/zinc/32/04/21/807320421.db2.gz ADOZALXHOHUBIP-RYUDHWBXSA-N 1 0 263.381 3.055 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(N[C@H]2C[NH2+]CC[C@H]2F)cc1 ZINC001168226325 807356482 /nfs/dbraw/zinc/35/64/82/807356482.db2.gz DEASUPQORYFCCF-SJORKVTESA-N 1 0 287.382 3.206 20 10 CGCDRO CCOc1ccc(N2CC[NH+]([C@@H](C)CC3CC3)CC2)cc1 ZINC001258470812 807470179 /nfs/dbraw/zinc/47/01/79/807470179.db2.gz QYMPJEUWBXUPIY-HNNXBMFYSA-N 1 0 288.435 3.396 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(N(C)C(C)(C)C[NH3+])cc1 ZINC001170059115 807743673 /nfs/dbraw/zinc/74/36/73/807743673.db2.gz MEJLAKMLDQKJJK-UHFFFAOYSA-N 1 0 271.408 3.268 20 10 CGCDRO CC[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)CCO1 ZINC001170177626 807785837 /nfs/dbraw/zinc/78/58/37/807785837.db2.gz IIKZBBJHMSCKMV-QRTARXTBSA-N 1 0 276.424 3.361 20 10 CGCDRO CO[C@@H](C[NH2+]Cc1ccc(C)cc1O)c1ccc(F)cc1 ZINC001262009359 807804115 /nfs/dbraw/zinc/80/41/15/807804115.db2.gz UJNAEIYTFLYPJI-KRWDZBQOSA-N 1 0 289.350 3.317 20 10 CGCDRO Oc1ccccc1C[NH2+][C@H]1CCc2cccc(F)c2C1 ZINC001170950800 807942992 /nfs/dbraw/zinc/94/29/92/807942992.db2.gz UJVDWIRZRSCUQP-AWEZNQCLSA-N 1 0 271.335 3.178 20 10 CGCDRO CC(C)COCC[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC001172461477 808333013 /nfs/dbraw/zinc/33/30/13/808333013.db2.gz GUUQAYPCRTVYJJ-HNNXBMFYSA-N 1 0 278.440 3.293 20 10 CGCDRO Cc1ccc2c(c1)C[C@@H]([NH2+]Cc1ccccc1O)CC2 ZINC001172825710 808447240 /nfs/dbraw/zinc/44/72/40/808447240.db2.gz HYBGOUYFYGUCFT-KRWDZBQOSA-N 1 0 267.372 3.348 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H](OC)C2)cc1C ZINC001172925920 808483780 /nfs/dbraw/zinc/48/37/80/808483780.db2.gz LTCQEONGFYIEFB-HUUCEWRRSA-N 1 0 263.381 3.051 20 10 CGCDRO CCOC[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)C(C)C ZINC001178606401 809879091 /nfs/dbraw/zinc/87/90/91/809879091.db2.gz ZMLBVINUVSTDRQ-MRXNPFEDSA-N 1 0 277.408 3.162 20 10 CGCDRO C[C@]1(C[NH2+]Cc2ccc(Cl)cc2O)CCO[C@H]1C1CC1 ZINC001180592111 810012742 /nfs/dbraw/zinc/01/27/42/810012742.db2.gz BSLWUWOWBUKNPJ-JKSUJKDBSA-N 1 0 295.810 3.340 20 10 CGCDRO COc1ccc(N2CC[C@@H]([NH2+]CC3(C)CCCC3)C2)cc1 ZINC001182856894 810127644 /nfs/dbraw/zinc/12/76/44/810127644.db2.gz YYCOMHOQJMZXLW-OAHLLOKOSA-N 1 0 288.435 3.444 20 10 CGCDRO COc1c(Cl)cccc1C[NH2+]Cc1cc(F)ccc1O ZINC001184045452 810175538 /nfs/dbraw/zinc/17/55/38/810175538.db2.gz NQBKIPQBIUBGJJ-UHFFFAOYSA-N 1 0 295.741 3.483 20 10 CGCDRO Cc1cc(C[N@@H+]2CC[C@@H]3[C@H](C2)C3(F)F)ccc1N(C)C ZINC001192387259 810792368 /nfs/dbraw/zinc/79/23/68/810792368.db2.gz BIHJBJMEJUMMAF-KGLIPLIRSA-N 1 0 280.362 3.148 20 10 CGCDRO c1ccc2c(c1)C[C@H]2C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001200204432 811644857 /nfs/dbraw/zinc/64/48/57/811644857.db2.gz RNERNNUZKXOCTF-KRWDZBQOSA-N 1 0 279.383 3.441 20 10 CGCDRO CCCCC[NH+]1CCN(c2ccc(OC)cc2C)CC1 ZINC001201743982 811954966 /nfs/dbraw/zinc/95/49/66/811954966.db2.gz CAAUFDHXBYDLED-UHFFFAOYSA-N 1 0 276.424 3.316 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)CCC(F)(F)F)cc1 ZINC001202356318 812071888 /nfs/dbraw/zinc/07/18/88/812071888.db2.gz UNMRFHMLVVTSQY-UHFFFAOYSA-N 1 0 260.303 3.137 20 10 CGCDRO COc1cccc(C[N@@H+]2CCCC[C@@](C)(F)C2)c1O ZINC001203585620 812400323 /nfs/dbraw/zinc/40/03/23/812400323.db2.gz QUJAXHVFCZQXJC-OAHLLOKOSA-N 1 0 267.344 3.115 20 10 CGCDRO COc1ccc(C[N@H+](C)Cc2ccc(F)cc2F)c(O)c1 ZINC001203629281 812411457 /nfs/dbraw/zinc/41/14/57/812411457.db2.gz VOTSBYRQAHYNBI-UHFFFAOYSA-N 1 0 293.313 3.311 20 10 CGCDRO CC[N@H+](Cc1ccc(F)cc1)Cc1ccc(O)c(O)c1 ZINC001203880702 812478358 /nfs/dbraw/zinc/47/83/58/812478358.db2.gz WOPYOWUMQCSCLH-UHFFFAOYSA-N 1 0 275.323 3.259 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@]23CCOC3)cc1 ZINC001203942430 812497826 /nfs/dbraw/zinc/49/78/26/812497826.db2.gz QEZYFWKGGDTYLC-SFHVURJKSA-N 1 0 288.435 3.288 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@]3(CCCO3)C2)cc1 ZINC001203940649 812498048 /nfs/dbraw/zinc/49/80/48/812498048.db2.gz STGRHSZSGLDBOV-SFHVURJKSA-N 1 0 288.435 3.288 20 10 CGCDRO CN(C)c1ccc(CN2CC(C)([NH+](C)C)C2)c2ccccc21 ZINC001204242380 812582805 /nfs/dbraw/zinc/58/28/05/812582805.db2.gz OPJHRCVKTOHOGS-UHFFFAOYSA-N 1 0 297.446 3.042 20 10 CGCDRO Oc1ccc(C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)c(O)c1 ZINC001204278695 812594266 /nfs/dbraw/zinc/59/42/66/812594266.db2.gz IQJMXLAZWNAQOS-SWLSCSKDSA-N 1 0 261.365 3.252 20 10 CGCDRO Cc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(O)cc2O)cn1 ZINC001204279643 812595377 /nfs/dbraw/zinc/59/53/77/812595377.db2.gz DMBYYEQUPDXXDJ-MRXNPFEDSA-N 1 0 284.359 3.138 20 10 CGCDRO F[C@H]1CCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204322568 812612452 /nfs/dbraw/zinc/61/24/52/812612452.db2.gz SCGKBZVRWYSEFV-HNNXBMFYSA-N 1 0 262.372 3.221 20 10 CGCDRO C[C@@H]1C[C@@H](F)C[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001204325121 812613396 /nfs/dbraw/zinc/61/33/96/812613396.db2.gz QXUVLYGWCHZFGS-UKRRQHHQSA-N 1 0 262.372 3.219 20 10 CGCDRO CC1(C)C[N@H+](Cc2ccc(N3CCCC3)cc2)CCCO1 ZINC001204327253 812613868 /nfs/dbraw/zinc/61/38/68/812613868.db2.gz NICXAZPRDMJWPY-UHFFFAOYSA-N 1 0 288.435 3.288 20 10 CGCDRO CCCC[N@H+](CCOC)Cc1ccc(N(C)C)cc1C ZINC001204867759 812758847 /nfs/dbraw/zinc/75/88/47/812758847.db2.gz XYDUHPLVYAEJOG-UHFFFAOYSA-N 1 0 278.440 3.310 20 10 CGCDRO [NH3+]C[C@H]1CCCCN1Cc1c(O)ccc(Cl)c1Cl ZINC001204932160 812782406 /nfs/dbraw/zinc/78/24/06/812782406.db2.gz HLLNQTBWHPQMDP-SECBINFHSA-N 1 0 289.206 3.012 20 10 CGCDRO CCCN(C[C@H](OC)[C@H](C)CC)c1ccc(C[NH3+])cc1 ZINC001205657013 813043715 /nfs/dbraw/zinc/04/37/15/813043715.db2.gz WUEKWBNPGQYJPC-PBHICJAKSA-N 1 0 278.440 3.423 20 10 CGCDRO Cc1cc(O)c(C[N@@H+](CC2CCC2)[C@H](C)CO)cc1Cl ZINC001205765491 813071507 /nfs/dbraw/zinc/07/15/07/813071507.db2.gz AZCJOGJIXMCNCO-GFCCVEGCSA-N 1 0 297.826 3.337 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]Cc1cc2cccnc2o1 ZINC001206517252 813339118 /nfs/dbraw/zinc/33/91/18/813339118.db2.gz PBIULQORMSJBJI-UHFFFAOYSA-N 1 0 288.734 3.477 20 10 CGCDRO CC[N@H+](Cc1cc(C)ccn1)Cc1ccccc1O ZINC001206852551 813452902 /nfs/dbraw/zinc/45/29/02/813452902.db2.gz BIHMFHDJERKVIC-UHFFFAOYSA-N 1 0 256.349 3.118 20 10 CGCDRO Cc1cccc(CC[N@@H+]2CCCc3cc(O)c(O)cc3C2)c1 ZINC001207536813 813591334 /nfs/dbraw/zinc/59/13/34/813591334.db2.gz PYFWIDNPGIUOJR-UHFFFAOYSA-N 1 0 297.398 3.397 20 10 CGCDRO COc1ccc(C[N@@H+]2CC[C@@H](C)C[C@@H](C)C2)c(O)c1OC ZINC001207588344 813601795 /nfs/dbraw/zinc/60/17/95/813601795.db2.gz HJNBVRNEKSCHSR-CHWSQXEVSA-N 1 0 293.407 3.277 20 10 CGCDRO COC1(C[NH2+]Cc2cc(F)ccc2O)CCCCCC1 ZINC001207745413 813643391 /nfs/dbraw/zinc/64/33/91/813643391.db2.gz NWBINYKJOYJKNH-UHFFFAOYSA-N 1 0 281.371 3.360 20 10 CGCDRO C[C@@H](CC1CC1)[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001207748948 813644761 /nfs/dbraw/zinc/64/47/61/813644761.db2.gz RQOZYVGIVFFCMW-KSSFIOAISA-N 1 0 289.467 3.134 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CCC[C@H](O)CC2)cc1 ZINC001209519035 814072657 /nfs/dbraw/zinc/07/26/57/814072657.db2.gz QNDMCSRHVHVOSJ-IBGZPJMESA-N 1 0 298.430 3.441 20 10 CGCDRO CC[NH+](CC)Cc1c(Br)ccc(OC)c1O ZINC001231547661 818123997 /nfs/dbraw/zinc/12/39/97/818123997.db2.gz HMBMMPFAHDUBMZ-UHFFFAOYSA-N 1 0 288.185 3.005 20 10 CGCDRO CC[NH+](CC)CCN(C)Cc1c(O)ccc2ccccc21 ZINC001231588113 818129102 /nfs/dbraw/zinc/12/91/02/818129102.db2.gz MITHXDYYTWHTGN-UHFFFAOYSA-N 1 0 286.419 3.319 20 10 CGCDRO Cc1cccc(C[N@H+]2CCC(=O)[C@H](C)C23CCCC3)c1O ZINC001231595489 818133685 /nfs/dbraw/zinc/13/36/85/818133685.db2.gz WUUABMXWZAHDPB-AWEZNQCLSA-N 1 0 287.403 3.424 20 10 CGCDRO Cc1cccc(C[N@H+]2CC[C@@H](Oc3ccncc3C)C2)c1O ZINC001231595163 818133936 /nfs/dbraw/zinc/13/39/36/818133936.db2.gz PJYVEJLUPKAUFS-MRXNPFEDSA-N 1 0 298.386 3.057 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCC[C@H](Oc3ccncc3)C2)c1O ZINC001231595518 818134072 /nfs/dbraw/zinc/13/40/72/818134072.db2.gz XZRDUPSJNXSXJS-KRWDZBQOSA-N 1 0 298.386 3.139 20 10 CGCDRO COc1cc(C[N@H+](C)Cc2ccccc2C)c(O)cc1O ZINC001231635485 818143932 /nfs/dbraw/zinc/14/39/32/818143932.db2.gz DCJYQJNLHPVTKA-UHFFFAOYSA-N 1 0 287.359 3.047 20 10 CGCDRO Cc1cc(C)c(C[N@@H+]2CC[C@](C)(F)[C@@H](F)C2)c(O)c1 ZINC001231842196 818185873 /nfs/dbraw/zinc/18/58/73/818185873.db2.gz KQMWGXDQMUEQRS-GJZGRUSLSA-N 1 0 269.335 3.281 20 10 CGCDRO Cc1cc(C)c(C[NH+]2CCC(C)(F)CC2)c(O)c1 ZINC001231841903 818186394 /nfs/dbraw/zinc/18/63/94/818186394.db2.gz GJNPLVMEDQDPIW-UHFFFAOYSA-N 1 0 251.345 3.333 20 10 CGCDRO Cc1cc(C)c(C[N@H+](C)C[C@@H]2CCCCO2)c(O)c1 ZINC001231846389 818187080 /nfs/dbraw/zinc/18/70/80/818187080.db2.gz KVRLRHXTEKYBJF-AWEZNQCLSA-N 1 0 263.381 3.010 20 10 CGCDRO COc1cc(N(C)C)ccc1C[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC001231849009 818187468 /nfs/dbraw/zinc/18/74/68/818187468.db2.gz MNCHZRJARCFVIM-GJZGRUSLSA-N 1 0 288.435 3.383 20 10 CGCDRO Cc1cc(C)c(C[N@@H+]2CC[C@H](C(F)(F)F)C2)c(O)c1 ZINC001231845643 818187798 /nfs/dbraw/zinc/18/77/98/818187798.db2.gz DYXIDOZJNZSYNK-NSHDSACASA-N 1 0 273.298 3.393 20 10 CGCDRO COc1cc(N(C)C)ccc1C[NH+]1CCC2(CC2)CC1 ZINC001231851963 818188692 /nfs/dbraw/zinc/18/86/92/818188692.db2.gz PCHFROOTCVYEMU-UHFFFAOYSA-N 1 0 274.408 3.137 20 10 CGCDRO CC[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2OC)C1 ZINC001231854216 818189314 /nfs/dbraw/zinc/18/93/14/818189314.db2.gz BXZMDWCJKQFLBU-CQSZACIVSA-N 1 0 276.424 3.383 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@](C)(O)[C@@H](C)C2)cc1Cl ZINC001231867961 818191593 /nfs/dbraw/zinc/19/15/93/818191593.db2.gz OTYCZOPBUZYWNH-LRDDRELGSA-N 1 0 297.826 3.337 20 10 CGCDRO Cc1cc(O)c(C[NH+]2CC3(CCC3)C2)cc1Cl ZINC001231867034 818192535 /nfs/dbraw/zinc/19/25/35/818192535.db2.gz GYUKIFAFOYNTMV-UHFFFAOYSA-N 1 0 251.757 3.340 20 10 CGCDRO CCCO[C@H]1CC[N@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC001231870726 818193630 /nfs/dbraw/zinc/19/36/30/818193630.db2.gz QLRDIBKDVIAOHB-ZDUSSCGKSA-N 1 0 283.799 3.355 20 10 CGCDRO Cc1cc(O)c(CN2CC[N@@H+]3CCCC[C@H]3C2)cc1Cl ZINC001231868712 818194081 /nfs/dbraw/zinc/19/40/81/818194081.db2.gz FJUQMLRJPGGZHZ-AWEZNQCLSA-N 1 0 294.826 3.024 20 10 CGCDRO Oc1c(C[NH+]2CCC3(COC3)CC2)ccc2ccccc21 ZINC001231878503 818197641 /nfs/dbraw/zinc/19/76/41/818197641.db2.gz LGZPTZRJZOSUSN-UHFFFAOYSA-N 1 0 283.371 3.158 20 10 CGCDRO CCN1CCC[N@H+](Cc2ccc3ccccc3c2O)CC1 ZINC001231878553 818197926 /nfs/dbraw/zinc/19/79/26/818197926.db2.gz OQAWKHYOALLJTF-UHFFFAOYSA-N 1 0 284.403 3.073 20 10 CGCDRO COc1cc(O)c(C[N@H+]2CCC[C@@H](OC)CC2)cc1Cl ZINC001232270057 818299652 /nfs/dbraw/zinc/29/96/52/818299652.db2.gz RIZPKLJIHQISIL-GFCCVEGCSA-N 1 0 299.798 3.055 20 10 CGCDRO CCCn1cnc(C[N@H+](CC)Cc2ccccc2O)c1 ZINC001232799624 818444385 /nfs/dbraw/zinc/44/43/85/818444385.db2.gz PZYORXZOZWVAEO-UHFFFAOYSA-N 1 0 273.380 3.021 20 10 CGCDRO Cc1cccc2c1C[N@H+](Cc1ccc(N(C)C)cc1O)C2 ZINC001232834952 818451702 /nfs/dbraw/zinc/45/17/02/818451702.db2.gz RQARHHUFPFSQQR-UHFFFAOYSA-N 1 0 282.387 3.282 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H]3CCC[C@H]3C2)c(O)c1 ZINC001232835659 818452256 /nfs/dbraw/zinc/45/22/56/818452256.db2.gz FJKRPUIIWHNRKI-KBPBESRZSA-N 1 0 274.408 3.080 20 10 CGCDRO C[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1ccc(N(C)C)cc1O ZINC001232839719 818453118 /nfs/dbraw/zinc/45/31/18/818453118.db2.gz UVHBXIYDIYXNCT-QWHCGFSZSA-N 1 0 262.397 3.079 20 10 CGCDRO C[N@H+](Cc1c[nH]c2ccc(O)cc12)Cc1ccccc1O ZINC001232872350 818459721 /nfs/dbraw/zinc/45/97/21/818459721.db2.gz WCQDKHPEVPUCPT-UHFFFAOYSA-N 1 0 282.343 3.211 20 10 CGCDRO Oc1cc(C[NH+]2CCC3(CCCCC3)CC2)cc(O)c1O ZINC001233010340 818499711 /nfs/dbraw/zinc/49/97/11/818499711.db2.gz OYTYVXHFCJOJTO-UHFFFAOYSA-N 1 0 291.391 3.350 20 10 CGCDRO CCC[NH+]1CCN(Cc2cc(C(C)(C)C)ccc2O)CC1 ZINC001233286290 818567301 /nfs/dbraw/zinc/56/73/01/818567301.db2.gz NNAZGTZHNVIPRN-UHFFFAOYSA-N 1 0 290.451 3.217 20 10 CGCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CCCC23COC3)c1 ZINC001233286090 818568397 /nfs/dbraw/zinc/56/83/97/818568397.db2.gz DYICDXNQVXKVBX-UHFFFAOYSA-N 1 0 275.392 3.055 20 10 CGCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CC[C@@H]3CCO[C@H]3C2)c1 ZINC001233284555 818568606 /nfs/dbraw/zinc/56/86/06/818568606.db2.gz ZEMKIAPCKPDPHH-DYVFJYSZSA-N 1 0 289.419 3.301 20 10 CGCDRO COc1cc(Cl)cc(C[N@@H+]2C[C@@H](C)C[C@H]2CF)c1O ZINC001233287926 818569438 /nfs/dbraw/zinc/56/94/38/818569438.db2.gz NRLJKAGESLBZKF-CABZTGNLSA-N 1 0 287.762 3.234 20 10 CGCDRO C[N@H+](Cc1c[nH]c(Br)c1)Cc1ccccc1O ZINC001233437655 818619988 /nfs/dbraw/zinc/61/99/88/818619988.db2.gz IPSIFERDDNRDKM-UHFFFAOYSA-N 1 0 295.180 3.115 20 10 CGCDRO C[C@H]1C[C@H](O)CC[N@@H+]1Cc1cccc(-c2ccccc2)c1O ZINC001234993748 818971976 /nfs/dbraw/zinc/97/19/76/818971976.db2.gz BDBQSDBGDCDXMG-WMLDXEAASA-N 1 0 297.398 3.404 20 10 CGCDRO C[C@]1(O)CC[N@H+](Cc2cccc(-c3ccccc3)c2O)C1 ZINC001235002930 818976393 /nfs/dbraw/zinc/97/63/93/818976393.db2.gz RYQXPWNTBIMRPB-SFHVURJKSA-N 1 0 283.371 3.016 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2ccc(C(C)(C)C)cc2O)CCCC1=O ZINC001235677015 819137276 /nfs/dbraw/zinc/13/72/76/819137276.db2.gz ZVBDLSQYZKRBBW-CYBMUJFWSA-N 1 0 289.419 3.491 20 10 CGCDRO CCO[C@@H]1CC[N@H+](Cc2ccc(C(C)(C)C)cc2O)C1 ZINC001235678686 819138598 /nfs/dbraw/zinc/13/85/98/819138598.db2.gz KWVDBPYBQUVRDM-OAHLLOKOSA-N 1 0 277.408 3.301 20 10 CGCDRO Nc1ccc(C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)cc1 ZINC001235713434 819148712 /nfs/dbraw/zinc/14/87/12/819148712.db2.gz ADQOHMXYCNEWEI-KRWDZBQOSA-N 1 0 266.388 3.333 20 10 CGCDRO Cc1c(CN(C)[C@H]2CCCC[C@H]2[NH3+])c2ccccc2n1C ZINC001236214177 819376673 /nfs/dbraw/zinc/37/66/73/819376673.db2.gz COFMSAWJWMMJKP-AEFFLSMTSA-N 1 0 285.435 3.188 20 10 CGCDRO CCCC[N@H+](CCC)Cc1cc(OC)c(OC)cc1O ZINC001236757067 819590812 /nfs/dbraw/zinc/59/08/12/819590812.db2.gz XPUNMSUOCAIAFW-UHFFFAOYSA-N 1 0 281.396 3.422 20 10 CGCDRO CC[N@H+](Cc1cc(O)c(Br)cc1O)C(C)C ZINC001236772787 819591235 /nfs/dbraw/zinc/59/12/35/819591235.db2.gz KNBJJDBSZIOBNO-UHFFFAOYSA-N 1 0 288.185 3.091 20 10 CGCDRO CC[C@H](C)[N@H+](C)Cc1cc(O)c(Br)cc1O ZINC001236765314 819592353 /nfs/dbraw/zinc/59/23/53/819592353.db2.gz CACYQZZBMQSSDB-QMMMGPOBSA-N 1 0 288.185 3.091 20 10 CGCDRO CCc1ccc(C[NH+]2Cc3ccccc3C2)c(O)c1 ZINC001236782517 819593271 /nfs/dbraw/zinc/59/32/71/819593271.db2.gz BZNUAXTVGAHJDS-UHFFFAOYSA-N 1 0 253.345 3.470 20 10 CGCDRO CCc1ccc(C[N@H+](C(C)C)C2CCOCC2)c(O)c1 ZINC001236789576 819594592 /nfs/dbraw/zinc/59/45/92/819594592.db2.gz YROVXIGTBBXNTO-UHFFFAOYSA-N 1 0 277.408 3.344 20 10 CGCDRO COc1cc(O)c(C[NH+]2CCC(CF)CC2)c(Cl)c1 ZINC001236801390 819600311 /nfs/dbraw/zinc/60/03/11/819600311.db2.gz DPQBKVWOQYLFTJ-UHFFFAOYSA-N 1 0 287.762 3.236 20 10 CGCDRO CCO[C@H]1CCC[N@H+](Cc2c(O)cc(OC)cc2Cl)C1 ZINC001236798787 819600325 /nfs/dbraw/zinc/60/03/25/819600325.db2.gz HRFFVGNSIXBJRE-NSHDSACASA-N 1 0 299.798 3.055 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CC[C@H](C)C[C@@H]2C)c(O)c1 ZINC001236810211 819603927 /nfs/dbraw/zinc/60/39/27/819603927.db2.gz DHQNYKFKLBVZJJ-AAEUAGOBSA-N 1 0 263.381 3.330 20 10 CGCDRO COc1ccc(C[N@@H+]2CCCOC(C)(C)C2)c([O-])c1Cl ZINC001236811167 819604130 /nfs/dbraw/zinc/60/41/30/819604130.db2.gz HQXGTZXHGTVDPG-UHFFFAOYSA-N 1 0 299.798 3.055 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CC[C@@H]3CCC[C@@H]3C2)c(O)c1 ZINC001236808710 819604917 /nfs/dbraw/zinc/60/49/17/819604917.db2.gz RIIITRUQZYEKET-UONOGXRCSA-N 1 0 275.392 3.331 20 10 CGCDRO Oc1cc2ccccc2cc1CN1CCC[N@@H+]2CCC[C@H]2C1 ZINC001236834385 819613611 /nfs/dbraw/zinc/61/36/11/819613611.db2.gz XXJCABGVVPGMLM-SFHVURJKSA-N 1 0 296.414 3.216 20 10 CGCDRO C[C@H]1C[NH+](Cc2cc3ccccc3cc2O)C[C@H](C)O1 ZINC001236833907 819613796 /nfs/dbraw/zinc/61/37/96/819613796.db2.gz QXSCVZPPGZTIRI-STQMWFEESA-N 1 0 271.360 3.155 20 10 CGCDRO O=C1CCC[C@@H]2C[N@@H+](Cc3cc4ccccc4cc3O)C[C@@H]12 ZINC001236835766 819614958 /nfs/dbraw/zinc/61/49/58/819614958.db2.gz RVFHIMUZXCIYLC-NVXWUHKLSA-N 1 0 295.382 3.346 20 10 CGCDRO CCC[N@@H+](Cc1c(O)ccc2ccccc21)C[C@H]1CC[NH2+]C1 ZINC001236843006 819618534 /nfs/dbraw/zinc/61/85/34/819618534.db2.gz JPZDPABWESWHJF-HNNXBMFYSA-N 1 0 298.430 3.367 20 10 CGCDRO CC[NH+](CC)Cc1ccc(N2CCOCC2)cc1Cl ZINC001236926225 819636208 /nfs/dbraw/zinc/63/62/08/819636208.db2.gz CNYIZBOLRINTBY-UHFFFAOYSA-N 1 0 282.815 3.018 20 10 CGCDRO CCOc1ccc(C[N@@H+]2C[C@H](C)CC23CC3)c(O)c1 ZINC001237045935 819650117 /nfs/dbraw/zinc/65/01/17/819650117.db2.gz KLNPQJKSGYTUAM-GFCCVEGCSA-N 1 0 261.365 3.165 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2C[C@H](F)C[C@H]2C)c(O)c1 ZINC001237044940 819650177 /nfs/dbraw/zinc/65/01/77/819650177.db2.gz GAFUJEYKKDHNEX-BXUZGUMPSA-N 1 0 251.345 3.448 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2C[C@H](C)N(C)C[C@H]2C)c(O)c1 ZINC001237051864 819651833 /nfs/dbraw/zinc/65/18/33/819651833.db2.gz ODVOOTYQAMZATL-UONOGXRCSA-N 1 0 276.424 3.040 20 10 CGCDRO CCC[N@H+](C)Cc1c(O)cc(OC)cc1Br ZINC001237063486 819656916 /nfs/dbraw/zinc/65/69/16/819656916.db2.gz RGGJWRLSIHYZBT-UHFFFAOYSA-N 1 0 288.185 3.005 20 10 CGCDRO Oc1ccc(F)c(Cl)c1C[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC001237120018 819671690 /nfs/dbraw/zinc/67/16/90/819671690.db2.gz HPQQRAJTPNHYTP-NXEZZACHSA-N 1 0 269.747 3.417 20 10 CGCDRO Oc1ccc(F)c(Cl)c1C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC001237120015 819671706 /nfs/dbraw/zinc/67/17/06/819671706.db2.gz HPQQRAJTPNHYTP-AOOOYVTPSA-N 1 0 269.747 3.417 20 10 CGCDRO Oc1ccc(F)c(Cl)c1C[NH+]1CCC2(CCOC2)CC1 ZINC001237121443 819673448 /nfs/dbraw/zinc/67/34/48/819673448.db2.gz NFBAVSRHWGHOQU-UHFFFAOYSA-N 1 0 299.773 3.187 20 10 CGCDRO CO[C@@H]1CC[N@H+](Cc2c(O)ccc(F)c2Cl)[C@@H](C)C1 ZINC001237128547 819675690 /nfs/dbraw/zinc/67/56/90/819675690.db2.gz RKXRXWGKQSLYGG-VHSXEESVSA-N 1 0 287.762 3.184 20 10 CGCDRO Oc1ccc(C(F)(F)F)cc1C[N@@H+]1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001237140754 819676503 /nfs/dbraw/zinc/67/65/03/819676503.db2.gz OQPAWPIJYQEGSY-UWJYBYFXSA-N 1 0 289.272 3.343 20 10 CGCDRO Cc1cccc(N2CC[NH+](Cc3c(C)cccc3O)CC2)c1 ZINC001237483773 819760423 /nfs/dbraw/zinc/76/04/23/819760423.db2.gz SZBBOUQMANOGAF-UHFFFAOYSA-N 1 0 296.414 3.331 20 10 CGCDRO Cc1cccc(O)c1C[N@H+](C)CCCC(=O)c1cccnc1 ZINC001237487662 819762720 /nfs/dbraw/zinc/76/27/20/819762720.db2.gz JVKAPUYGKPBFTF-UHFFFAOYSA-N 1 0 298.386 3.191 20 10 CGCDRO [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCC2(CC2)C1 ZINC001237617217 819787538 /nfs/dbraw/zinc/78/75/38/819787538.db2.gz NOEDHGPHIWCVIR-UHFFFAOYSA-N 1 0 255.720 3.171 20 10 CGCDRO Oc1ccc(-c2ccc(F)cc2)cc1CN1CCC12COC2 ZINC001237648225 819796494 /nfs/dbraw/zinc/79/64/94/819796494.db2.gz YPSUWUVBHCJACP-UHFFFAOYSA-N 1 0 299.345 3.173 20 10 CGCDRO CC[C@@H]1CCC[N@H+](Cc2cc(OC)cc(OC)c2O)C1 ZINC001237677591 819803893 /nfs/dbraw/zinc/80/38/93/819803893.db2.gz FJZCMXZLGMMCLK-GFCCVEGCSA-N 1 0 279.380 3.031 20 10 CGCDRO Cc1cc(F)cc(C[N@@H+]2CCc3ccccc3C2)c1O ZINC001238056322 819918985 /nfs/dbraw/zinc/91/89/85/819918985.db2.gz GYMABWIYLIMCPA-UHFFFAOYSA-N 1 0 271.335 3.398 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)Cc2cccc3cncn32)cc1 ZINC001238105079 819935294 /nfs/dbraw/zinc/93/52/94/819935294.db2.gz BYGKAVGTFLSDAC-UHFFFAOYSA-N 1 0 294.402 3.032 20 10 CGCDRO C(=C/c1ccc(N2CC[NH2+]CC2)cc1)\Cc1ccccc1 ZINC001242142674 822892007 /nfs/dbraw/zinc/89/20/07/822892007.db2.gz YHIXZVZVQQOPGO-XBXARRHUSA-N 1 0 278.399 3.352 20 10 CGCDRO Oc1ccccc1C[NH+]1CCC(Nc2ccccc2)CC1 ZINC001341947808 936455601 /nfs/dbraw/zinc/45/56/01/936455601.db2.gz ZTPGGICZPOMGNY-UHFFFAOYSA-N 1 0 282.387 3.469 20 10 CGCDRO Cc1ccc(C)c(C[N@H+](C)Cc2cnc3ccccn23)c1O ZINC001140178315 926714677 /nfs/dbraw/zinc/71/46/77/926714677.db2.gz HTWADDLABDYXRU-UHFFFAOYSA-N 1 0 295.386 3.289 20 10 CGCDRO COc1ccc(C[NH2+]Cc2ccc(OC)c(F)c2)cc1C ZINC000078877509 928260423 /nfs/dbraw/zinc/26/04/23/928260423.db2.gz BZSRGPGVSZCZQP-UHFFFAOYSA-N 1 0 289.350 3.441 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCOC[C@H]2C2CCC2)cc1 ZINC001460291690 937524839 /nfs/dbraw/zinc/52/48/39/937524839.db2.gz LEAKSGSVIAQNRI-SFHVURJKSA-N 1 0 288.435 3.144 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CO[C@H](C)C1)c1ccc2ccccc2c1O ZINC000402389079 932017936 /nfs/dbraw/zinc/01/79/36/932017936.db2.gz RYWYCCAKGOXNAB-BZPMIXESSA-N 1 0 271.360 3.373 20 10 CGCDRO C[C@@H]([NH2+]Cc1nc2ccccc2[nH]1)c1ccc(N(C)C)cc1 ZINC000315132827 932030867 /nfs/dbraw/zinc/03/08/67/932030867.db2.gz YVOBFPWCQKYXSK-CYBMUJFWSA-N 1 0 294.402 3.480 20 10 CGCDRO CC[C@H](COCC1CC1)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001461630787 937589206 /nfs/dbraw/zinc/58/92/06/937589206.db2.gz KGVREGHUBAQUOR-QGZVFWFLSA-N 1 0 289.419 3.306 20 10 CGCDRO CC[C@H](C)[C@@H](C[N@H+](C)Cc1ccc(N(C)C)cc1)OC ZINC001461838647 937601166 /nfs/dbraw/zinc/60/11/66/937601166.db2.gz OPVAOJXUQMMKLY-WMLDXEAASA-N 1 0 278.440 3.246 20 10 CGCDRO Cn1ccc(C[N@H+](C)Cc2ccc(N3CCCC3)cc2)c1 ZINC001462207561 937625678 /nfs/dbraw/zinc/62/56/78/937625678.db2.gz UQMVMVFDCSZCKB-UHFFFAOYSA-N 1 0 283.419 3.257 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(Cl)cc2O)c1 ZINC001462449229 937642302 /nfs/dbraw/zinc/64/23/02/937642302.db2.gz REGTYHZWFGYKAK-UHFFFAOYSA-N 1 0 277.751 3.349 20 10 CGCDRO Cc1cc(O)c(C[NH2+]Cc2cccnc2)c(Cl)c1 ZINC001308183191 933067996 /nfs/dbraw/zinc/06/79/96/933067996.db2.gz NFWNGDJZNOXSRH-UHFFFAOYSA-N 1 0 262.740 3.039 20 10 CGCDRO CC(C)c1ccc(O)c(CN2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC001308596541 933140188 /nfs/dbraw/zinc/14/01/88/933140188.db2.gz USTXLWMVUYKNCV-KRWDZBQOSA-N 1 0 288.435 3.186 20 10 CGCDRO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(N(C)C)cc1C ZINC001308660497 933152205 /nfs/dbraw/zinc/15/22/05/933152205.db2.gz QBBZMVPCRJPOGP-GOEBONIOSA-N 1 0 276.424 3.060 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc(OC)cc1O)[C@H]1CC1(C)C ZINC001308716983 933164849 /nfs/dbraw/zinc/16/48/49/933164849.db2.gz XJBOVOHYMNIZGP-ZIAGYGMSSA-N 1 0 263.381 3.315 20 10 CGCDRO CCC[C@@H](CN(CCC)c1ccc(C[NH3+])cc1)OC ZINC001308740565 933168385 /nfs/dbraw/zinc/16/83/85/933168385.db2.gz QUWRQXPRDSIHKH-INIZCTEOSA-N 1 0 264.413 3.177 20 10 CGCDRO CO[C@H]1CC[N@H+](Cc2cc(C(C)C)ccc2O)C[C@@H]1C ZINC001308774965 933173639 /nfs/dbraw/zinc/17/36/39/933173639.db2.gz XAIGEMZHLZTJQD-GUYCJALGSA-N 1 0 277.408 3.372 20 10 CGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CCC[C@](O)(C3CC3)C2)c1 ZINC001308860277 933191755 /nfs/dbraw/zinc/19/17/55/933191755.db2.gz NIFSJFRACMJFTH-GOSISDBHSA-N 1 0 289.419 3.253 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2ccnn2-c2ccccc2)c1 ZINC001308870055 933193683 /nfs/dbraw/zinc/19/36/83/933193683.db2.gz UYEHZIDDFASENC-UHFFFAOYSA-N 1 0 293.370 3.176 20 10 CGCDRO CC(C)OCC[NH2+]Cc1cc(C(C)C)ccc1O ZINC001308886080 933197487 /nfs/dbraw/zinc/19/74/87/933197487.db2.gz JBHFWSPDQXLZNM-UHFFFAOYSA-N 1 0 251.370 3.030 20 10 CGCDRO CO[C@@H]1CC[C@@H]([NH2+][C@H](C)c2ccc(C)c(C)c2O)C1 ZINC001320778673 934101554 /nfs/dbraw/zinc/10/15/54/934101554.db2.gz HNGWBSDZSAZTIS-MGPQQGTHSA-N 1 0 263.381 3.227 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@@H](CO)CC1CCC1 ZINC001327724408 935080963 /nfs/dbraw/zinc/08/09/63/935080963.db2.gz XAXPPRFWRADODP-BPLDGKMQSA-N 1 0 289.419 3.390 20 10 CGCDRO CCn1nccc1C[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC001328491010 935143140 /nfs/dbraw/zinc/14/31/40/935143140.db2.gz GTOBIVOGEANJQQ-TZMCWYRMSA-N 1 0 285.391 3.255 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H]2C[C@@H]3[C@H](C2)C3(F)F)cc1Cl ZINC001328817337 935170589 /nfs/dbraw/zinc/17/05/89/935170589.db2.gz CUHJKPTWJDFHKJ-JGPRNRPPSA-N 1 0 287.737 3.487 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CCC1(CO)CCC1 ZINC001329675676 935239314 /nfs/dbraw/zinc/23/93/14/935239314.db2.gz RIWLHDYPRIUJJO-KGLIPLIRSA-N 1 0 289.419 3.391 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CCN(C)CC(F)F ZINC001329755640 935244175 /nfs/dbraw/zinc/24/41/75/935244175.db2.gz SMGWHNOQCFERJH-NEPJUHHUSA-N 1 0 298.377 3.035 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC001330354360 935286455 /nfs/dbraw/zinc/28/64/55/935286455.db2.gz MLVBERIZWVZIDQ-SMTACUOLSA-N 1 0 299.414 3.262 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](O)[C@H]2C)cc1C(C)C ZINC001331080671 935348048 /nfs/dbraw/zinc/34/80/48/935348048.db2.gz ONWXBFMKLWBGHU-CZUORRHYSA-N 1 0 277.408 3.169 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)[C@@H](O)C(C)C ZINC001331401482 935377100 /nfs/dbraw/zinc/37/71/00/935377100.db2.gz ZCKAMQIZHDTXSQ-MSOLQXFVSA-N 1 0 290.451 3.172 20 10 CGCDRO CC[C@](C)([NH2+]Cc1ccc(N)cc1)c1nc(C)cs1 ZINC001334754530 936111942 /nfs/dbraw/zinc/11/19/42/936111942.db2.gz OQZFPQUFNUTTLP-HNNXBMFYSA-N 1 0 275.421 3.449 20 10 CGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001334755333 936112155 /nfs/dbraw/zinc/11/21/55/936112155.db2.gz MMQRAIYLGBFNJB-GYYSBXETSA-N 1 0 285.387 3.014 20 10 CGCDRO CC1([NH+]2CCCCC2)CCN(Cc2ccc(N)cc2)CC1 ZINC001334755142 936112237 /nfs/dbraw/zinc/11/22/37/936112237.db2.gz XMZPYZWJFUQCCX-UHFFFAOYSA-N 1 0 287.451 3.109 20 10 CGCDRO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](Cc2ccc(N)cc2)C1 ZINC001334774150 936113078 /nfs/dbraw/zinc/11/30/78/936113078.db2.gz DVPHIOAREBBFQP-DYVFJYSZSA-N 1 0 267.376 3.247 20 10 CGCDRO Nc1ccc(C[N@@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)cc1 ZINC001336120440 936176950 /nfs/dbraw/zinc/17/69/50/936176950.db2.gz ZAORSBLPRMDVCK-GFCCVEGCSA-N 1 0 288.288 3.135 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C/C=C\C2CC2)c(Cl)c1 ZINC001474156316 937842125 /nfs/dbraw/zinc/84/21/25/937842125.db2.gz ZLVSLWSCMYAETB-IHWYPQMZSA-N 1 0 251.757 3.410 20 10 CGCDRO CCCN(CC(=O)OCC)Cc1cc(C(C)C)ccc1O ZINC001474329173 937851954 /nfs/dbraw/zinc/85/19/54/937851954.db2.gz BJQCIRAZBJUDQQ-UHFFFAOYSA-N 1 0 293.407 3.291 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@H+]1CCS[C@@H](C)[C@H]1C ZINC001474368936 937854950 /nfs/dbraw/zinc/85/49/50/937854950.db2.gz CUIGGPPTAIIYCW-KGLIPLIRSA-N 1 0 278.465 3.387 20 10 CGCDRO CCCN(C[C@@]1(C)CCCCO1)c1ccc(C[NH3+])cc1 ZINC001474496215 937863250 /nfs/dbraw/zinc/86/32/50/937863250.db2.gz RTBXDHRFRFNRRE-QGZVFWFLSA-N 1 0 276.424 3.321 20 10 CGCDRO Cc1cc(O)c(C[N@@H+](C)[C@@H](CO)CC(C)C)cc1Cl ZINC001474504102 937863873 /nfs/dbraw/zinc/86/38/73/937863873.db2.gz ATONVZOZEKLWSB-CYBMUJFWSA-N 1 0 285.815 3.193 20 10 CGCDRO Cc1ncsc1CC[NH2+]Cc1ccc(Cl)cc1O ZINC001474532178 937865322 /nfs/dbraw/zinc/86/53/22/937865322.db2.gz TVNOTYMLTQYHOR-UHFFFAOYSA-N 1 0 282.796 3.143 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH+]2CCC(C3(O)CC3)CC2)c1 ZINC001474617076 937870793 /nfs/dbraw/zinc/87/07/93/937870793.db2.gz XSCQKMNCSHVOPT-UHFFFAOYSA-N 1 0 289.419 3.253 20 10 CGCDRO C[C@H]([NH2+]CC(=O)c1ccccc1F)c1ccccc1O ZINC001560075103 938243012 /nfs/dbraw/zinc/24/30/12/938243012.db2.gz SHVFIFOMZURCFW-NSHDSACASA-N 1 0 273.307 3.065 20 10 CGCDRO C[C@H]([NH2+]CCN1C[C@H](C)C[C@H](C)C1)c1ccccc1O ZINC001560074859 938243054 /nfs/dbraw/zinc/24/30/54/938243054.db2.gz ITEMGFHTJRGIDZ-ZNMIVQPWSA-N 1 0 276.424 3.021 20 10 CGCDRO OC[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)C1CCCCC1 ZINC001560354131 938254868 /nfs/dbraw/zinc/25/48/68/938254868.db2.gz GZGKSCXUDWSSJA-QGZVFWFLSA-N 1 0 289.419 3.042 20 10 CGCDRO CC(C)(C)[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2O)C[C@@H]1O ZINC001560720159 938272078 /nfs/dbraw/zinc/27/20/78/938272078.db2.gz LLXHEMNKFJLHHC-HIFRSBDPSA-N 1 0 297.826 3.275 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCC[C@@]2(CO)CC(C)C)c1O ZINC001560802287 938276595 /nfs/dbraw/zinc/27/65/95/938276595.db2.gz PZFGAAJYTIKNJQ-SFHVURJKSA-N 1 0 291.435 3.328 20 10 CGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CCCc3n[nH]cc3C2)c1 ZINC001560951265 938286177 /nfs/dbraw/zinc/28/61/77/938286177.db2.gz BYXUMGKHOVCCFV-UHFFFAOYSA-N 1 0 285.391 3.187 20 10 CGCDRO CC[C@@H]1CC[C@H]1[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001561039740 938291143 /nfs/dbraw/zinc/29/11/43/938291143.db2.gz ABQXUCCYNBONLU-ZTFGCOKTSA-N 1 0 289.467 3.134 20 10 CGCDRO CCC[C@H](CCO)[NH2+]Cc1ccc(N(CC)CC)c(F)c1 ZINC001179358994 957885490 /nfs/dbraw/zinc/88/54/90/957885490.db2.gz NBJAZIQFBNGICU-OAHLLOKOSA-N 1 0 296.430 3.313 20 10 CGCDRO CCCOc1ccc(CN[C@]23CCC[C@H]2[NH2+]CC3)cc1C ZINC001577586591 962558299 /nfs/dbraw/zinc/55/82/99/962558299.db2.gz YYDBYZQRZUJYEC-MSOLQXFVSA-N 1 0 288.435 3.158 20 10 CGCDRO C[C@@H]([NH2+]C[C@H](C)CO)c1ccc(N2CCCCC2)c(F)c1 ZINC000151721444 346138385 /nfs/dbraw/zinc/13/83/85/346138385.db2.gz HSKWVTIQZJOMNL-UONOGXRCSA-N 1 0 294.414 3.095 20 10 CGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCCO1 ZINC000069009964 283297120 /nfs/dbraw/zinc/29/71/20/283297120.db2.gz ZHHLTOLPZMGBIG-HNNXBMFYSA-N 1 0 263.381 3.173 20 10 CGCDRO Cc1cccc(C[NH2+]C[C@@]2(C)CCCS2)c1O ZINC000124853821 370929549 /nfs/dbraw/zinc/92/95/49/370929549.db2.gz QHZCLCWSBBYRDG-CQSZACIVSA-N 1 0 251.395 3.076 20 10 CGCDRO C[C@H]([NH2+]C1CCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000020551018 368807853 /nfs/dbraw/zinc/80/78/53/368807853.db2.gz UQFWRAHRSGBQEO-ZDUSSCGKSA-N 1 0 292.398 3.256 20 10 CGCDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1O ZINC000072629600 369829604 /nfs/dbraw/zinc/82/96/04/369829604.db2.gz HJWXVSNTDQHTOG-LBPRGKRZSA-N 1 0 286.331 3.493 20 10 CGCDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1O ZINC000072629601 369830487 /nfs/dbraw/zinc/83/04/87/369830487.db2.gz HJWXVSNTDQHTOG-GFCCVEGCSA-N 1 0 286.331 3.493 20 10 CGCDRO C[C@H]([NH2+]Cc1cccc(N(C)C)n1)c1ccc(N(C)C)cc1 ZINC000090851833 370069351 /nfs/dbraw/zinc/06/93/51/370069351.db2.gz LBHXLXBVUJPYCL-AWEZNQCLSA-N 1 0 298.434 3.064 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCSC(C)C)c(O)c1 ZINC000287185328 371617203 /nfs/dbraw/zinc/61/72/03/371617203.db2.gz VMWDOJDXDHXQCI-LBPRGKRZSA-N 1 0 253.411 3.493 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCSC(C)C)c1 ZINC000287255699 371627973 /nfs/dbraw/zinc/62/79/73/371627973.db2.gz ZTYCFYMYFRHWJB-LBPRGKRZSA-N 1 0 253.411 3.493 20 10 CGCDRO C[C@H]1Oc2ccccc2[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000288516673 371738963 /nfs/dbraw/zinc/73/89/63/371738963.db2.gz JGBLEBDBYGTITJ-FZKQIMNGSA-N 1 0 282.387 3.364 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](C3CC3)C2)cc1OC ZINC000288697900 371743193 /nfs/dbraw/zinc/74/31/93/371743193.db2.gz UICLSVLBJLRKIC-CYBMUJFWSA-N 1 0 291.391 3.031 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H]2c3ccccc3O[C@H]2C)c1 ZINC000289249069 371753084 /nfs/dbraw/zinc/75/30/84/371753084.db2.gz AWOXLKBHFPCXQH-GTNSWQLSSA-N 1 0 285.343 3.013 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCOC(C)(C)C2)c1 ZINC000159930282 372193994 /nfs/dbraw/zinc/19/39/94/372193994.db2.gz VEUSKLDDCOCBPD-RYUDHWBXSA-N 1 0 279.380 3.009 20 10 CGCDRO Cc1cc(C[N@@H+]2CCC[C@]2(C)CCCO)ccc1N(C)C ZINC000293766583 372475874 /nfs/dbraw/zinc/47/58/74/372475874.db2.gz KLRSEAORWSUUGZ-GOSISDBHSA-N 1 0 290.451 3.188 20 10 CGCDRO C[C@H](CCO)[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000293864315 372505623 /nfs/dbraw/zinc/50/56/23/372505623.db2.gz UQVJSKJZTVGULB-QAPCUYQASA-N 1 0 299.414 3.427 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H](CO)Cc2ccccc2)c(O)c1 ZINC000294112600 372584328 /nfs/dbraw/zinc/58/43/28/372584328.db2.gz KDHQYECDJCOUBI-DOTOQJQBSA-N 1 0 299.414 3.263 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](CC)c1ccc(F)cc1[O-])C(C)(C)O ZINC000294552881 372660123 /nfs/dbraw/zinc/66/01/23/372660123.db2.gz BHVYFPCXIYKJHS-GXTWGEPZSA-N 1 0 269.360 3.122 20 10 CGCDRO COc1ccc(C[NH2+]CCc2ncccc2C)cc1C ZINC000294720764 372667555 /nfs/dbraw/zinc/66/75/55/372667555.db2.gz CNOBIGHDCGJURP-UHFFFAOYSA-N 1 0 270.376 3.039 20 10 CGCDRO Cc1cccc(C[NH2+]Cc2cccc(C(F)(F)F)n2)c1O ZINC000294765634 372669738 /nfs/dbraw/zinc/66/97/38/372669738.db2.gz JPYNAYZKATZQLK-UHFFFAOYSA-N 1 0 296.292 3.404 20 10 CGCDRO Cc1cc(O)c(CN2CC(C)(C)[C@@H]2c2nccn2C)cc1C ZINC000294814261 372672650 /nfs/dbraw/zinc/67/26/50/372672650.db2.gz OFRXGMRWVSOWFP-INIZCTEOSA-N 1 0 299.418 3.326 20 10 CGCDRO CC[C@@H]([NH2+][C@H](C)c1cnn(CC)c1)c1ccccc1O ZINC000294952800 372682185 /nfs/dbraw/zinc/68/21/85/372682185.db2.gz WAHYNSSYZIUTQQ-IUODEOHRSA-N 1 0 273.380 3.411 20 10 CGCDRO Cc1cccnc1CC[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000295861493 372937013 /nfs/dbraw/zinc/93/70/13/372937013.db2.gz BNPBPNGTRDTQSV-LBPRGKRZSA-N 1 0 274.339 3.128 20 10 CGCDRO CCCCOCCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296064082 373010264 /nfs/dbraw/zinc/01/02/64/373010264.db2.gz RTXMMSDGOWUXHX-CQSZACIVSA-N 1 0 263.381 3.176 20 10 CGCDRO C[C@@H](CC(C)(C)O)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000296343174 373095535 /nfs/dbraw/zinc/09/55/35/373095535.db2.gz HWQKFELIPMJFLN-STQMWFEESA-N 1 0 291.435 3.471 20 10 CGCDRO CC[C@@H]([NH2+][C@H](C)CCCCO)c1ccc(C)cc1O ZINC000296373706 373109006 /nfs/dbraw/zinc/10/90/06/373109006.db2.gz JIKNDNNFXNBAHR-UKRRQHHQSA-N 1 0 265.397 3.292 20 10 CGCDRO Cc1ncsc1CC[NH2+][C@H](C)c1cc(C)ccc1O ZINC000296481697 373151072 /nfs/dbraw/zinc/15/10/72/373151072.db2.gz OGLXISXPQNMTBE-LLVKDONJSA-N 1 0 276.405 3.359 20 10 CGCDRO CCSCCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296568734 373180581 /nfs/dbraw/zinc/18/05/81/373180581.db2.gz UXMWQSYDMGOCCB-GFCCVEGCSA-N 1 0 251.395 3.112 20 10 CGCDRO CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CCc3cccc(O)c32)CCO1 ZINC000296711265 373227334 /nfs/dbraw/zinc/22/73/34/373227334.db2.gz IFSVSSGXIRZAAL-YCPHGPKFSA-N 1 0 275.392 3.173 20 10 CGCDRO CN(C)c1cccc(C[NH2+][C@H]2CCc3cccc(O)c32)c1 ZINC000297960613 373287911 /nfs/dbraw/zinc/28/79/11/373287911.db2.gz ZGQCYHAAZRGKKG-INIZCTEOSA-N 1 0 282.387 3.235 20 10 CGCDRO COc1cc(C[NH2+][C@H]2CCc3cccc(O)c32)ccc1C ZINC000297880435 373282846 /nfs/dbraw/zinc/28/28/46/373282846.db2.gz UZVBXBHEJFEZQA-HNNXBMFYSA-N 1 0 283.371 3.486 20 10 CGCDRO CCSCC[C@H](C)[N@H+](C)Cc1ccccc1O ZINC000179584782 373890637 /nfs/dbraw/zinc/89/06/37/373890637.db2.gz GHPHOPCNBQEPMC-LBPRGKRZSA-N 1 0 253.411 3.356 20 10 CGCDRO Cc1cc(NCc2ccc(N(C)C)cc2C)cc[nH+]1 ZINC000302546014 373893477 /nfs/dbraw/zinc/89/34/77/373893477.db2.gz GZULJDYRJDVOOY-UHFFFAOYSA-N 1 0 255.365 3.377 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCCC[C@H](N3CCCC3)C2)c1O ZINC000179957228 373946429 /nfs/dbraw/zinc/94/64/29/373946429.db2.gz ZURDLVGXZUZGPY-KRWDZBQOSA-N 1 0 288.435 3.151 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)cc1OC ZINC000179852055 373927475 /nfs/dbraw/zinc/92/74/75/373927475.db2.gz IYSCPUPPUIWIAO-JSGCOSHPSA-N 1 0 291.391 3.174 20 10 CGCDRO CCC[N@@H+](Cc1ccccc1O)Cc1cccc2nccn21 ZINC000179929285 373940175 /nfs/dbraw/zinc/94/01/75/373940175.db2.gz MMKMFBFWOATJJE-UHFFFAOYSA-N 1 0 295.386 3.452 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]C1(c2cccc(F)c2)CC1 ZINC000180771731 374045082 /nfs/dbraw/zinc/04/50/82/374045082.db2.gz IHZVTWIAVDTRIZ-UHFFFAOYSA-N 1 0 275.298 3.449 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C2(c3cccc(F)c3)CC2)c1 ZINC000182358630 374264043 /nfs/dbraw/zinc/26/40/43/374264043.db2.gz PTYFMUNFFNNQOK-UHFFFAOYSA-N 1 0 287.334 3.319 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(OCC2CC2)nc1)c1ccccc1O ZINC000183474734 374417526 /nfs/dbraw/zinc/41/75/26/374417526.db2.gz DVZMPAWBWWOUGG-ZDUSSCGKSA-N 1 0 298.386 3.427 20 10 CGCDRO C[C@@H]([NH2+][C@H](C)[C@H](O)c1ccc(F)cc1)c1ccccc1O ZINC000183516636 374423235 /nfs/dbraw/zinc/42/32/35/374423235.db2.gz XFZQGIHGPMNQRC-QFSBIZTOSA-N 1 0 289.350 3.304 20 10 CGCDRO COCCC1(C[NH2+][C@@H](C)c2ccc(C)cc2O)CC1 ZINC000186134443 374802868 /nfs/dbraw/zinc/80/28/68/374802868.db2.gz DOGODSTZIQPXEC-ZDUSSCGKSA-N 1 0 263.381 3.168 20 10 CGCDRO CC[N@@H+]1CC[C@@H]([NH2+]Cc2c(C)c3ccccc3n2C)[C@@H](C)C1 ZINC000475200319 375131561 /nfs/dbraw/zinc/13/15/61/375131561.db2.gz ZXUNAAGWJWRSBP-WMLDXEAASA-N 1 0 299.462 3.307 20 10 CGCDRO COc1ccc([C@@H]([NH2+]Cc2cccc(C)c2O)C2CC2)cn1 ZINC000529686864 375934147 /nfs/dbraw/zinc/93/41/47/375934147.db2.gz CCQWDGHOHLUBDU-KRWDZBQOSA-N 1 0 298.386 3.345 20 10 CGCDRO Cn1ccc(C[NH2+]Cc2ccc(N3CCCCC3)cc2)c1 ZINC000267035617 378030801 /nfs/dbraw/zinc/03/08/01/378030801.db2.gz BTJNYYPKEVZWPA-UHFFFAOYSA-N 1 0 283.419 3.305 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](C)Cn1ccnc1)c1ccc(N(C)C)cc1 ZINC000268788888 378111295 /nfs/dbraw/zinc/11/12/95/378111295.db2.gz CHLQYISJPWZTQO-WMLDXEAASA-N 1 0 286.423 3.079 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CCOC3(CCC3)C2)cc1C ZINC000268999133 378170331 /nfs/dbraw/zinc/17/03/31/378170331.db2.gz YWUJNTWECDTCFC-OAHLLOKOSA-N 1 0 275.392 3.195 20 10 CGCDRO C[C@@H](CCCO)[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000269001976 378171500 /nfs/dbraw/zinc/17/15/00/378171500.db2.gz JUAIPMYIOGRDIF-HOTGVXAUSA-N 1 0 290.451 3.489 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)c1 ZINC000270653031 378383138 /nfs/dbraw/zinc/38/31/38/378383138.db2.gz MLSBVELEAOGUQY-HOCLYGCPSA-N 1 0 277.408 3.384 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CCc2c(F)cccc2C1 ZINC000271243994 378485829 /nfs/dbraw/zinc/48/58/29/378485829.db2.gz BNRKYMJFGHJUMQ-UHFFFAOYSA-N 1 0 257.308 3.090 20 10 CGCDRO Cc1cc(C)cc([C@H](O)C[NH2+][C@H](C)c2ccccc2O)c1 ZINC000271699015 378500862 /nfs/dbraw/zinc/50/08/62/378500862.db2.gz SYPFLSCETZWFEH-RDTXWAMCSA-N 1 0 285.387 3.393 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C(C)(C)c2ccccc2)c1 ZINC000271853736 378509692 /nfs/dbraw/zinc/50/96/92/378509692.db2.gz HNHQGQAXUASCQG-UHFFFAOYSA-N 1 0 271.360 3.426 20 10 CGCDRO Cc1cccc(C[NH2+][C@H]2CCO[C@@H](CC(C)C)C2)c1O ZINC000272173817 378577191 /nfs/dbraw/zinc/57/71/91/378577191.db2.gz XHCFCPASGCDPQE-HOTGVXAUSA-N 1 0 277.408 3.384 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1CCCCO1)c1cc(Cl)ccc1O ZINC000273403492 378744116 /nfs/dbraw/zinc/74/41/16/378744116.db2.gz NSTJRYGKSIBKCE-JQWIXIFHSA-N 1 0 269.772 3.265 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCn2cnc3ccccc32)c1 ZINC000273432883 378746798 /nfs/dbraw/zinc/74/67/98/378746798.db2.gz WICFUXLPSUKWJK-CQSZACIVSA-N 1 0 295.386 3.401 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCC[C@@H](C)CO)c(O)c1C ZINC000273481214 378750814 /nfs/dbraw/zinc/75/08/14/378750814.db2.gz MDHUVHJYWIUNPJ-BXUZGUMPSA-N 1 0 265.397 3.068 20 10 CGCDRO C[C@H]([NH2+][C@@H](C)[C@@H]1CCOC1)c1cc(Cl)ccc1O ZINC000273622755 378758233 /nfs/dbraw/zinc/75/82/33/378758233.db2.gz ZOHQEGAJNRFTMR-GARJFASQSA-N 1 0 269.772 3.121 20 10 CGCDRO Oc1cc2c(cc1C[NH2+]C[C@H]1CCCC(F)(F)C1)OCO2 ZINC000282133106 379860188 /nfs/dbraw/zinc/86/01/88/379860188.db2.gz VRJBLCUSFHHYMU-JTQLQIEISA-N 1 0 299.317 3.036 20 10 CGCDRO Cc1cccc(C[NH2+][C@@]2(CO)CCCc3ccccc32)c1O ZINC000282338927 379901088 /nfs/dbraw/zinc/90/10/88/379901088.db2.gz OTACVZJMGOIICF-LJQANCHMSA-N 1 0 297.398 3.014 20 10 CGCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]CCC1(O)CCC1 ZINC000284197882 380137096 /nfs/dbraw/zinc/13/70/96/380137096.db2.gz YTPBKVUAFWIGMT-UHFFFAOYSA-N 1 0 297.398 3.454 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@H]2CCO[C@H](C)C2)c(O)c1 ZINC000285243311 380144867 /nfs/dbraw/zinc/14/48/67/380144867.db2.gz PSUCCYXJWRDLKK-RDBSUJKOSA-N 1 0 263.381 3.227 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]C[C@H]1CCCSC1)CC2 ZINC000297396102 285397659 /nfs/dbraw/zinc/39/76/59/285397659.db2.gz SCMOPBOXFDVWHW-DGCLKSJQSA-N 1 0 263.406 3.112 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](C)c2cccc(O)c2)c1 ZINC000105461270 392289644 /nfs/dbraw/zinc/28/96/44/392289644.db2.gz JRACXPNFKAHAGQ-LBPRGKRZSA-N 1 0 287.359 3.347 20 10 CGCDRO C[N@H+](CCOc1ccccc1F)Cc1ccccc1O ZINC000109769515 392373110 /nfs/dbraw/zinc/37/31/10/392373110.db2.gz AOAWZBVGPGNGED-UHFFFAOYSA-N 1 0 275.323 3.042 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]Cc2cncs2)cc1 ZINC000133058707 392462858 /nfs/dbraw/zinc/46/28/58/392462858.db2.gz PUCHCRRAJZBBBL-UHFFFAOYSA-N 1 0 275.421 3.279 20 10 CGCDRO C[C@@H]([NH2+]CC1CCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000177776716 392667749 /nfs/dbraw/zinc/66/77/49/392667749.db2.gz MRYZIAHPBQBULO-CYBMUJFWSA-N 1 0 292.398 3.113 20 10 CGCDRO Cc1ncc(C[N@@H+](C)Cc2cc(C)ccc2O)s1 ZINC000179383526 392700190 /nfs/dbraw/zinc/70/01/90/392700190.db2.gz PVRSGZNXMOHWQQ-UHFFFAOYSA-N 1 0 262.378 3.098 20 10 CGCDRO C[C@H](O)C[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000179581531 392703898 /nfs/dbraw/zinc/70/38/98/392703898.db2.gz UKWQOURGKGIHFE-GJZGRUSLSA-N 1 0 276.424 3.098 20 10 CGCDRO CC[C@H]([NH2+]Cc1c(C)c2ccccc2n1C)c1cnn(C)c1 ZINC000358999368 393533293 /nfs/dbraw/zinc/53/32/93/393533293.db2.gz HAYHTIATIZIYSX-INIZCTEOSA-N 1 0 296.418 3.461 20 10 CGCDRO CC[C@@H]([NH2+][C@H](C)[C@H](C)OC)c1ccc(C)cc1O ZINC000290112064 286928813 /nfs/dbraw/zinc/92/88/13/286928813.db2.gz ISSCKJQBEZELRR-MBNYWOFBSA-N 1 0 251.370 3.165 20 10 CGCDRO C[C@H]([NH2+]CCc1ccc(F)cc1)c1ccccc1O ZINC000019904066 170916159 /nfs/dbraw/zinc/91/61/59/170916159.db2.gz MRBCLBOGFGATAR-LBPRGKRZSA-N 1 0 259.324 3.425 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](c2ccco2)N(C)C)c(O)c1 ZINC000020122445 171002497 /nfs/dbraw/zinc/00/24/97/171002497.db2.gz IOVXRJGDZPIRTL-ZFWWWQNUSA-N 1 0 288.391 3.247 20 10 CGCDRO COCCC[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000020142343 171028600 /nfs/dbraw/zinc/02/86/00/171028600.db2.gz DGZIBMXELKFYEY-GFCCVEGCSA-N 1 0 259.349 3.233 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCCOC(C)C)c(O)c1 ZINC000020198358 171062532 /nfs/dbraw/zinc/06/25/32/171062532.db2.gz MEBSNDXZGGOQNQ-ZDUSSCGKSA-N 1 0 251.370 3.166 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](CC(C)C)N(C)C)c1 ZINC000035628953 172308417 /nfs/dbraw/zinc/30/84/17/172308417.db2.gz XSDLGLHHZRZPBL-CABCVRRESA-N 1 0 278.440 3.328 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](c2ccco2)N(C)C)c1 ZINC000035628765 172308449 /nfs/dbraw/zinc/30/84/49/172308449.db2.gz ADXDNUCVGBFOOO-HIFRSBDPSA-N 1 0 288.391 3.247 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](C(C)C)N2CCCC2)c1 ZINC000035628947 172308466 /nfs/dbraw/zinc/30/84/66/172308466.db2.gz UQBINMRJQUBRSZ-WBVHZDCISA-N 1 0 290.451 3.472 20 10 CGCDRO Cc1c([C@@H](C)[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cnn1C ZINC000037321761 260088585 /nfs/dbraw/zinc/08/85/85/260088585.db2.gz NUTWPCVPBYDIFK-QWHCGFSZSA-N 1 0 286.423 3.206 20 10 CGCDRO C[C@H]([NH2+]CCc1ccccn1)c1ccc(N(C)C)cc1 ZINC000037201208 260073948 /nfs/dbraw/zinc/07/39/48/260073948.db2.gz MWZHPASUNPPGRT-AWEZNQCLSA-N 1 0 269.392 3.041 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H](C)Cc2ccc(C)s2)c1 ZINC000080226711 260178831 /nfs/dbraw/zinc/17/88/31/260178831.db2.gz PYWDBROYMXJIDT-NSHDSACASA-N 1 0 291.416 3.492 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)CCO)c1ccc(N2CCCCCC2)cc1 ZINC000151955327 261057358 /nfs/dbraw/zinc/05/73/58/261057358.db2.gz UBVJHPBQEIWINB-JKSUJKDBSA-N 1 0 290.451 3.489 20 10 CGCDRO Cc1cncc([C@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)c1 ZINC000184329245 262016573 /nfs/dbraw/zinc/01/65/73/262016573.db2.gz MVYUVKIZOPXZHO-ZDUSSCGKSA-N 1 0 287.382 3.446 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1CCCOC1)c1cc(Cl)ccc1O ZINC000185089745 262040796 /nfs/dbraw/zinc/04/07/96/262040796.db2.gz FAFHOTCUGOJTBD-GHMZBOCLSA-N 1 0 269.772 3.123 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1CCCOC1)c1cc2c(cc1O)CCCC2 ZINC000185090148 262041498 /nfs/dbraw/zinc/04/14/98/262041498.db2.gz BTVJLOAAASPJOX-ZIAGYGMSSA-N 1 0 289.419 3.348 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCOC2CCCC2)c1 ZINC000185240654 262047771 /nfs/dbraw/zinc/04/77/71/262047771.db2.gz QOCXBHNQBUZPEQ-CYBMUJFWSA-N 1 0 293.407 3.401 20 10 CGCDRO Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000185348259 262051687 /nfs/dbraw/zinc/05/16/87/262051687.db2.gz SQTPUBXSOCPOES-VHSXEESVSA-N 1 0 293.798 3.499 20 10 CGCDRO Cc1noc(C)c1C[C@@H](C)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000185502047 262056936 /nfs/dbraw/zinc/05/69/36/262056936.db2.gz HZTJWMSZTWWFBM-ZJUUUORDSA-N 1 0 292.354 3.418 20 10 CGCDRO CC[C@H](COC)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000185503840 262057254 /nfs/dbraw/zinc/05/72/54/262057254.db2.gz UASHGQBVIOYBOX-GXSJLCMTSA-N 1 0 257.761 3.121 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC[C@H]3OCC[C@@H]32)c1 ZINC000185771936 262069852 /nfs/dbraw/zinc/06/98/52/262069852.db2.gz HDADHRVGFRBFOZ-TZDHZFECSA-N 1 0 275.392 3.309 20 10 CGCDRO C[C@@H]([NH2+]CC(C)(C)C[C@H](C)O)c1cc(Cl)ccc1O ZINC000186075004 262078208 /nfs/dbraw/zinc/07/82/08/262078208.db2.gz RMMAHYGMPZBGOB-WDEREUQCSA-N 1 0 285.815 3.493 20 10 CGCDRO C/C=C/C[C@H](CO)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000186503359 262095338 /nfs/dbraw/zinc/09/53/38/262095338.db2.gz WJSOBSMVQJIYOP-JNFNSLLPSA-N 1 0 289.419 3.249 20 10 CGCDRO C/C=C/C[C@@H](CO)[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000186512095 262096429 /nfs/dbraw/zinc/09/64/29/262096429.db2.gz OUOXLDQVJZESJJ-YGEYTSGZSA-N 1 0 269.772 3.023 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)c2ccsc2)c1 ZINC000185512835 262305913 /nfs/dbraw/zinc/30/59/13/262305913.db2.gz RZEZWZCIXKMGGL-NHYWBVRUSA-N 1 0 277.389 3.146 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](C)C2CCOCC2)c1 ZINC000185782325 262308801 /nfs/dbraw/zinc/30/88/01/262308801.db2.gz KUOZEGSHHSCKDJ-CHWSQXEVSA-N 1 0 263.381 3.166 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C)c1ccccc1O ZINC000186198005 262311778 /nfs/dbraw/zinc/31/17/78/262311778.db2.gz QNEHHVVZUDCEIV-GXTWGEPZSA-N 1 0 265.397 3.230 20 10 CGCDRO CCC[N@H+](Cc1ccc(CO)cc1)Cc1ccccc1O ZINC000272273556 263003064 /nfs/dbraw/zinc/00/30/64/263003064.db2.gz DKYGCNRPNWKNTR-UHFFFAOYSA-N 1 0 285.387 3.297 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000272540564 263006361 /nfs/dbraw/zinc/00/63/61/263006361.db2.gz PAOFQTUCKLYDLT-HNNXBMFYSA-N 1 0 283.371 3.293 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+][C@H]1CCOC3(CCCC3)C1)CC2 ZINC000296957159 263198698 /nfs/dbraw/zinc/19/86/98/263198698.db2.gz RAFUASSPCDIFMQ-GJZGRUSLSA-N 1 0 287.403 3.461 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+][C@@H](CO)Cc2ccccc2)c(O)c1 ZINC000294112601 265007584 /nfs/dbraw/zinc/00/75/84/265007584.db2.gz KDHQYECDJCOUBI-NVXWUHKLSA-N 1 0 299.414 3.263 20 10 CGCDRO Cc1cc([C@H]2CCC[N@@H+]2Cc2cc(C)ccc2O)no1 ZINC000371397239 267399217 /nfs/dbraw/zinc/39/92/17/267399217.db2.gz YSFVOFRUGRVTQJ-OAHLLOKOSA-N 1 0 272.348 3.334 20 10 CGCDRO CC(C)[C@H](C[NH2+][C@H](C)c1ccccc1O)N1CCCC1 ZINC000020200717 277898372 /nfs/dbraw/zinc/89/83/72/277898372.db2.gz GSYFJSFOEAOJKA-ZBFHGGJFSA-N 1 0 276.424 3.163 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCCOCC2)cc1 ZINC000183338652 327819685 /nfs/dbraw/zinc/81/96/85/327819685.db2.gz BKYMEKXFHQMYIZ-GOEBONIOSA-N 1 0 276.424 3.362 20 10 CGCDRO Cc1nccn1CCCC[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000185545317 327840648 /nfs/dbraw/zinc/84/06/48/327840648.db2.gz IPNYDZMHBBXEDM-AWEZNQCLSA-N 1 0 287.407 3.337 20 10 CGCDRO COCC[C@H]([NH2+]Cc1ccccc1O)c1ccc(C)o1 ZINC000272286870 328199699 /nfs/dbraw/zinc/19/96/99/328199699.db2.gz MAURKEDAALZHAH-AWEZNQCLSA-N 1 0 275.348 3.161 20 10 CGCDRO Cc1cc(Cl)cc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1O ZINC000180413029 329216343 /nfs/dbraw/zinc/21/63/43/329216343.db2.gz HIQYXMWXPXQTRK-CABCVRRESA-N 1 0 294.826 3.023 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCN(C)[C@@H]1c1ccccc1)c1ccccc1O ZINC000183630896 329251662 /nfs/dbraw/zinc/25/16/62/329251662.db2.gz YKQYQMHZTVCXFO-UCLAIMLFSA-N 1 0 296.414 3.488 20 10 CGCDRO C[C@H](CCc1ccc(O)cc1)[NH2+]Cc1cc(F)ccc1O ZINC000226606670 333266076 /nfs/dbraw/zinc/26/60/76/333266076.db2.gz GZLSRQABFDVUMY-GFCCVEGCSA-N 1 0 289.350 3.348 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)c1cn[nH]c1 ZINC000229884134 333310846 /nfs/dbraw/zinc/31/08/46/333310846.db2.gz RZIJYNXTHFDICW-CQSZACIVSA-N 1 0 284.407 3.251 20 10 CGCDRO CC[C@@](C)(CCO)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000230222403 333315954 /nfs/dbraw/zinc/31/59/54/333315954.db2.gz SSQBMKXXVBPLML-SFHVURJKSA-N 1 0 290.451 3.318 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)[C@@H]2C[C@H]2C2CC2)c1 ZINC000529569047 333498304 /nfs/dbraw/zinc/49/83/04/333498304.db2.gz JAAYDJHKTPCJPF-AZLWOZFGSA-N 1 0 275.392 3.486 20 10 CGCDRO CCOCC[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000263677703 519966384 /nfs/dbraw/zinc/96/63/84/519966384.db2.gz LMVMORKOKVMXGZ-UHFFFAOYSA-N 1 0 271.360 3.185 20 10 CGCDRO CCOC[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000126567756 520116565 /nfs/dbraw/zinc/11/65/65/520116565.db2.gz ZEYYECGEJAKORO-OAHLLOKOSA-N 1 0 294.414 3.140 20 10 CGCDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](CC)c2ccccc2O)C1 ZINC000280997562 521140820 /nfs/dbraw/zinc/14/08/20/521140820.db2.gz KKMFHQRPZVMWKA-IPYPFGDCSA-N 1 0 291.391 3.165 20 10 CGCDRO CCOC(C)(C)C[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000275712217 521627282 /nfs/dbraw/zinc/62/72/82/521627282.db2.gz MJZUWNGDRSGSRU-CYBMUJFWSA-N 1 0 265.397 3.475 20 10 CGCDRO CCC(O)(CC)CC[NH2+]Cc1c(O)cccc1Cl ZINC000276254316 521651336 /nfs/dbraw/zinc/65/13/36/521651336.db2.gz RHOZCAQHYOKKOM-UHFFFAOYSA-N 1 0 271.788 3.076 20 10 CGCDRO CCC(O)(CC)CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC000276205961 521651773 /nfs/dbraw/zinc/65/17/73/521651773.db2.gz JIWYNUIUOWOFDF-UHFFFAOYSA-N 1 0 265.397 3.034 20 10 CGCDRO CO[C@]1(C)CCC[N@H+](Cc2cc(C)c(C)cc2O)CC1 ZINC000280350340 521750949 /nfs/dbraw/zinc/75/09/49/521750949.db2.gz SUKACIRVPUOWNW-QGZVFWFLSA-N 1 0 277.408 3.400 20 10 CGCDRO COC[C@H](C)C[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000045656369 522581011 /nfs/dbraw/zinc/58/10/11/522581011.db2.gz KGSZWCSBWMJYIW-CHWSQXEVSA-N 1 0 273.376 3.479 20 10 CGCDRO CC[C@H]([NH2+][C@@H](CCO)C(C)(C)C)c1ccccc1O ZINC000157991663 522704808 /nfs/dbraw/zinc/70/48/08/522704808.db2.gz JDXSYIXAOOVSDK-ZFWWWQNUSA-N 1 0 265.397 3.230 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1ccc(C)cc1O ZINC000280095585 522719601 /nfs/dbraw/zinc/71/96/01/522719601.db2.gz MTNZBGDHINZPDK-NFAWXSAZSA-N 1 0 263.381 3.309 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCO[C@@H](C)C1)c1ccc(C)cc1O ZINC000280095589 522757451 /nfs/dbraw/zinc/75/74/51/522757451.db2.gz MTNZBGDHINZPDK-YDHLFZDLSA-N 1 0 263.381 3.309 20 10 CGCDRO COCC(C)(C)CCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000290141446 522805172 /nfs/dbraw/zinc/80/51/72/522805172.db2.gz NXZLMEUCEHPZIB-UHFFFAOYSA-N 1 0 277.408 3.164 20 10 CGCDRO CC[C@@H]([NH2+]CCCOC[C@H]1CCCO1)c1ccccc1O ZINC000020146782 522828729 /nfs/dbraw/zinc/82/87/29/522828729.db2.gz MFAZUXBDMNAJEY-GDBMZVCRSA-N 1 0 293.407 3.019 20 10 CGCDRO CC[C@@H]([NH2+]CCCc1cnn(C)c1)c1ccc(C)cc1O ZINC000280254220 522830846 /nfs/dbraw/zinc/83/08/46/522830846.db2.gz WUCCIIFXNCINND-MRXNPFEDSA-N 1 0 287.407 3.108 20 10 CGCDRO CCc1noc(C)c1C[NH2+]Cc1c(O)cccc1Cl ZINC000293113221 522841695 /nfs/dbraw/zinc/84/16/95/522841695.db2.gz YQVPVQFREBSWTR-UHFFFAOYSA-N 1 0 280.755 3.194 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](C)COCC(F)(F)F)c1ccccc1O ZINC000274886521 522908237 /nfs/dbraw/zinc/90/82/37/522908237.db2.gz IQIMYGLMFNUYGY-CMPLNLGQSA-N 1 0 291.313 3.400 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](C)CSC)c1ccc(C)cc1O ZINC000280175774 522909715 /nfs/dbraw/zinc/90/97/15/522909715.db2.gz RJILOAIQTCDEEY-WCQYABFASA-N 1 0 253.411 3.493 20 10 CGCDRO COCc1nc(C[NH2+][C@@H](C)c2cc(C)ccc2O)cs1 ZINC000289659625 523202925 /nfs/dbraw/zinc/20/29/25/523202925.db2.gz GQIXZUAOMHDHGX-NSHDSACASA-N 1 0 292.404 3.154 20 10 CGCDRO COc1ccc(CNC2CC[NH+](C3CCC3)CC2)cc1C ZINC000299352732 524069173 /nfs/dbraw/zinc/06/91/73/524069173.db2.gz SCIPWLRYUCAKKB-UHFFFAOYSA-N 1 0 288.435 3.110 20 10 CGCDRO COc1ccc(O)c(C[NH2+]CCc2cccc(C)c2)c1 ZINC000051668975 524750228 /nfs/dbraw/zinc/75/02/28/524750228.db2.gz IXXKWLNPGDJGFD-UHFFFAOYSA-N 1 0 271.360 3.042 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+][C@H]2CCOC(C)(C)C2)c1O ZINC000127239484 524873746 /nfs/dbraw/zinc/87/37/46/524873746.db2.gz CSHYIVDGVUHQCQ-ZDUSSCGKSA-N 1 0 283.799 3.401 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCc3c2cccc3O)cc1C ZINC000266209839 525322337 /nfs/dbraw/zinc/32/23/37/525322337.db2.gz NYNDQPMBMCSUBU-MRXNPFEDSA-N 1 0 283.371 3.492 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCCc2nccs2)cc1C ZINC000266184732 525323645 /nfs/dbraw/zinc/32/36/45/525323645.db2.gz WMRDMKWDLAOKGZ-UHFFFAOYSA-N 1 0 276.405 3.188 20 10 CGCDRO C[C@@H]([NH2+]CCc1ccc(O)cc1)c1cc(F)ccc1O ZINC000094617824 525462699 /nfs/dbraw/zinc/46/26/99/525462699.db2.gz AALCFBYVIHOHQL-LLVKDONJSA-N 1 0 275.323 3.130 20 10 CGCDRO COc1cccc(C[NH+]2CC3(C2)CCCCC3)c1O ZINC000297363846 525932034 /nfs/dbraw/zinc/93/20/34/525932034.db2.gz GZTZTFZJGGHYMU-UHFFFAOYSA-N 1 0 261.365 3.167 20 10 CGCDRO COc1cccc(C[N@@H+]2CCC[C@H](C3CC3)C2)c1O ZINC000290169179 525937707 /nfs/dbraw/zinc/93/77/07/525937707.db2.gz MPKCTGFIKNHJRY-ZDUSSCGKSA-N 1 0 261.365 3.023 20 10 CGCDRO Cc1nnc(CC[NH2+][C@@H](C)c2cc(Cl)ccc2O)s1 ZINC000289661813 526330228 /nfs/dbraw/zinc/33/02/28/526330228.db2.gz GUDKDCXKICTHAM-QMMMGPOBSA-N 1 0 297.811 3.099 20 10 CGCDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000289715072 526349970 /nfs/dbraw/zinc/34/99/70/526349970.db2.gz GVTFIWDRWQBRKO-OAHLLOKOSA-N 1 0 272.323 3.263 20 10 CGCDRO Oc1ccc2ccccc2c1C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000151312538 526356481 /nfs/dbraw/zinc/35/64/81/526356481.db2.gz LZCUUWXMNSHLEB-GOSISDBHSA-N 1 0 283.371 3.158 20 10 CGCDRO Oc1ccc2ccccc2c1C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000151312468 526356784 /nfs/dbraw/zinc/35/67/84/526356784.db2.gz LZCUUWXMNSHLEB-SFHVURJKSA-N 1 0 283.371 3.158 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000289816659 526371057 /nfs/dbraw/zinc/37/10/57/526371057.db2.gz NXUDCVCRSSKRQA-HNNXBMFYSA-N 1 0 254.333 3.124 20 10 CGCDRO OCCC1(C[NH2+][C@H]2CCc3cccc(O)c32)CCCCC1 ZINC000297842305 527533771 /nfs/dbraw/zinc/53/37/71/527533771.db2.gz SMFIILPYEMRMPB-HNNXBMFYSA-N 1 0 289.419 3.302 20 10 CGCDRO C[C@@H]1CC[C@H](C)[C@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000749922643 573058506 /nfs/dbraw/zinc/05/85/06/573058506.db2.gz DBYMIDKRGJDAOO-ATCWAGBWSA-N 1 0 264.388 3.416 20 10 CGCDRO Cc1cc(CC[NH2+]Cc2cc[nH]n2)c(C)n1-c1ccccc1 ZINC000727465659 571747856 /nfs/dbraw/zinc/74/78/56/571747856.db2.gz OJGLMGXUVUFFRG-UHFFFAOYSA-N 1 0 294.402 3.150 20 10 CGCDRO COC[C@@H]1CC[N@H+](Cc2cc(C(C)C)c(C)cc2O)C1 ZINC000739874433 572425784 /nfs/dbraw/zinc/42/57/84/572425784.db2.gz WUAULPCBDIDSNK-CQSZACIVSA-N 1 0 277.408 3.292 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2C[C@H]2C)cc1F ZINC000740003900 572427907 /nfs/dbraw/zinc/42/79/07/572427907.db2.gz ASOJOGMJZXFMPI-OCCSQVGLSA-N 1 0 264.388 3.418 20 10 CGCDRO Cc1cnc(C[N@H+](Cc2ccccc2O)C2CCCC2)cn1 ZINC000732204718 572451425 /nfs/dbraw/zinc/45/14/25/572451425.db2.gz QLMDUXSVCZKMRB-UHFFFAOYSA-N 1 0 297.402 3.435 20 10 CGCDRO C[C@H](O)c1ccc(C[NH2+]Cc2c(O)cccc2Cl)cc1 ZINC000733325664 572556406 /nfs/dbraw/zinc/55/64/06/572556406.db2.gz RWHHVEXSSRPTML-NSHDSACASA-N 1 0 291.778 3.389 20 10 CGCDRO COc1cccc2c1OCC[C@@H]2[NH2+]Cc1ccccc1O ZINC000733331740 572557591 /nfs/dbraw/zinc/55/75/91/572557591.db2.gz GHEZVCUCMCYGPC-AWEZNQCLSA-N 1 0 285.343 3.014 20 10 CGCDRO COc1ccc(N2CCC([NH2+][C@@H]3CC[C@@H](C)C3)CC2)cc1 ZINC000742369706 572568467 /nfs/dbraw/zinc/56/84/67/572568467.db2.gz OUSOJIVQEQXBRV-GDBMZVCRSA-N 1 0 288.435 3.442 20 10 CGCDRO COc1cccc(C[NH2+][C@@H]2CC[C@H]3CCC[C@H]3C2)c1O ZINC000742379355 572571116 /nfs/dbraw/zinc/57/11/16/572571116.db2.gz WGTJZIOUVCKTOD-VNHYZAJKSA-N 1 0 275.392 3.459 20 10 CGCDRO Cc1cc(C[NH2+]Cc2ccc3c(c2)CCO3)c(C)o1 ZINC000734003533 572622807 /nfs/dbraw/zinc/62/28/07/572622807.db2.gz NGDUQIHJCPUUPW-UHFFFAOYSA-N 1 0 257.333 3.121 20 10 CGCDRO Oc1cc2c(cc1C[NH2+]Cc1coc3ccccc13)OCO2 ZINC000734004246 572622935 /nfs/dbraw/zinc/62/29/35/572622935.db2.gz ZGUCCULNKBHUBX-UHFFFAOYSA-N 1 0 297.310 3.157 20 10 CGCDRO Cc1nonc1C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000734149890 572632089 /nfs/dbraw/zinc/63/20/89/572632089.db2.gz VULGUDZAJHOYSK-UHFFFAOYSA-N 1 0 287.363 3.028 20 10 CGCDRO C[C@@H]1C[N@@H+](Cc2c(O)ccc3ccncc32)C[C@H](C)S1 ZINC000743376733 572655529 /nfs/dbraw/zinc/65/55/29/572655529.db2.gz URHIAXFXNRBJDA-TXEJJXNPSA-N 1 0 288.416 3.266 20 10 CGCDRO CCCC[C@H](C(=O)OC)[N@H+](CCC)Cc1ccccc1O ZINC000743870585 572695058 /nfs/dbraw/zinc/69/50/58/572695058.db2.gz YEOHTVLXLVCOIX-OAHLLOKOSA-N 1 0 293.407 3.336 20 10 CGCDRO CC(C)C[C@H]1OCCC[C@H]1[NH2+]Cc1cc(F)ccc1O ZINC000187679417 617618147 /nfs/dbraw/zinc/61/81/47/617618147.db2.gz FTVPTXWRGVRLQL-GDBMZVCRSA-N 1 0 281.371 3.215 20 10 CGCDRO COc1cc(C[NH+]2C[C@@H]3CCCC[C@H]3C2)c(O)cc1C ZINC000160367996 618024691 /nfs/dbraw/zinc/02/46/91/618024691.db2.gz RMFMGOUZKAMYDM-KBPBESRZSA-N 1 0 275.392 3.331 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]CC[C@]2(C)C[C@]2(F)Cl)c1 ZINC000846031915 618064773 /nfs/dbraw/zinc/06/47/73/618064773.db2.gz DBYPPPCPJFKDJE-ZIAGYGMSSA-N 1 0 271.763 3.495 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2c(C)noc2C)c1 ZINC000092326811 618179445 /nfs/dbraw/zinc/17/94/45/618179445.db2.gz FSMBPJCCYWQGNM-VHSXEESVSA-N 1 0 290.363 3.417 20 10 CGCDRO CCOc1ccc(C[N@H+](C)Cc2ccccc2O)o1 ZINC000891713681 618253734 /nfs/dbraw/zinc/25/37/34/618253734.db2.gz KBUZWPRCRRTMTR-UHFFFAOYSA-N 1 0 261.321 3.016 20 10 CGCDRO COc1ccc(C[N@@H+]2C[C@@H](C)CC[C@@H]2C)c(O)c1OC ZINC000892066791 618515221 /nfs/dbraw/zinc/51/52/21/618515221.db2.gz HRDLBISOASKGJJ-RYUDHWBXSA-N 1 0 279.380 3.030 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)CN(CC)CC)c1ccccc1O ZINC000045690274 618622119 /nfs/dbraw/zinc/62/21/19/618622119.db2.gz PXQPMUDPHOGUCS-ZFWWWQNUSA-N 1 0 264.413 3.163 20 10 CGCDRO CO[C@@](C)([C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1O)C1CC1 ZINC000840858850 618693974 /nfs/dbraw/zinc/69/39/74/618693974.db2.gz HCKHEOFGUGOADN-MMPTUQATSA-N 1 0 281.371 3.386 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCN(C)c2ccccc2)c(O)c1 ZINC000184952091 625284872 /nfs/dbraw/zinc/28/48/72/625284872.db2.gz NJUSWESTTRNIAR-OAHLLOKOSA-N 1 0 284.403 3.488 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](C)N2CCC[C@H](C)C2)c(O)c1 ZINC000185024096 625290376 /nfs/dbraw/zinc/29/03/76/625290376.db2.gz ZETVIJSWXYFOPS-JYJNAYRXSA-N 1 0 290.451 3.472 20 10 CGCDRO CC(C)[C@@H](C)[N@H+](Cc1cc2c(cc1O)OCO2)C1CC1 ZINC000179496627 618786535 /nfs/dbraw/zinc/78/65/35/618786535.db2.gz HOSHUBJHAOJBMF-LLVKDONJSA-N 1 0 277.364 3.130 20 10 CGCDRO O=[N+]([O-])c1ccc(C[N@@H+](Cc2ccccc2O)C2CC2)cc1 ZINC000179557490 618795704 /nfs/dbraw/zinc/79/57/04/618795704.db2.gz ALGDIRUANURTKD-UHFFFAOYSA-N 1 0 298.342 3.465 20 10 CGCDRO COc1ccc(C[NH2+]CCC2=CCCCC2)c(O)c1OC ZINC000892478051 618799829 /nfs/dbraw/zinc/79/98/29/618799829.db2.gz BRYLFGCAWVTGCR-UHFFFAOYSA-N 1 0 291.391 3.390 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCS[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000310757390 618856264 /nfs/dbraw/zinc/85/62/64/618856264.db2.gz ADTNCIKGTCGSJS-YWPYICTPSA-N 1 0 264.438 3.297 20 10 CGCDRO C[C@H]([NH2+]Cc1cncs1)c1ccc(N(C)C)cc1 ZINC000168897417 618914260 /nfs/dbraw/zinc/91/42/60/618914260.db2.gz IOJHYSBZIDTCNO-NSHDSACASA-N 1 0 261.394 3.060 20 10 CGCDRO Cc1cc(C[NH2+]Cc2ccc3c(c2)CCCN3C)cnc1F ZINC000892733215 618927415 /nfs/dbraw/zinc/92/74/15/618927415.db2.gz QJSLORFDJUJCGP-UHFFFAOYSA-N 1 0 299.393 3.201 20 10 CGCDRO Oc1cc2c(cc1C[NH2+]Cc1cccc(Cl)c1)OCO2 ZINC000053148513 618967022 /nfs/dbraw/zinc/96/70/22/618967022.db2.gz GSCUTBSMUAMVTB-UHFFFAOYSA-N 1 0 291.734 3.064 20 10 CGCDRO COC1(C[NH2+]Cc2ccc3c(c2)CCCN3C)CCCC1 ZINC000314327574 618967954 /nfs/dbraw/zinc/96/79/54/618967954.db2.gz KZAVKZOAVFLLGW-UHFFFAOYSA-N 1 0 288.435 3.118 20 10 CGCDRO CN(Cc1nc2ccccc2n1C)Cc1cc(F)ccc1O ZINC000180148061 619013121 /nfs/dbraw/zinc/01/31/21/619013121.db2.gz IEZIRHKLDMJJIV-UHFFFAOYSA-N 1 0 299.349 3.050 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CCCC(C)(C)CC2)cc1OC ZINC000180440471 619015744 /nfs/dbraw/zinc/01/57/44/619015744.db2.gz TZZMNPHYBUBZOX-UHFFFAOYSA-N 1 0 293.407 3.422 20 10 CGCDRO CO[C@]1(C)C[C@@H]([NH2+][C@@H](C)c2ccccc2O)C1(C)C ZINC000183539631 619045392 /nfs/dbraw/zinc/04/53/92/619045392.db2.gz APQSITLUBSMSPQ-SGIREYDYSA-N 1 0 263.381 3.246 20 10 CGCDRO Cc1cc(C[C@H](C)[NH2+][C@@H](C)c2cc(C)ccc2O)[nH]n1 ZINC000186130710 619067988 /nfs/dbraw/zinc/06/79/88/619067988.db2.gz PJVLEVWTZZESBE-AAEUAGOBSA-N 1 0 273.380 3.014 20 10 CGCDRO C[C@@H]([NH2+]CCC1CCOCC1)c1ccc(N(C)C)cc1 ZINC000312451288 619078546 /nfs/dbraw/zinc/07/85/46/619078546.db2.gz ONQNBNLTOHGGME-CQSZACIVSA-N 1 0 276.424 3.220 20 10 CGCDRO CCOc1ncccc1C[NH2+][C@@H](CC)c1ccccc1O ZINC000185208247 625319028 /nfs/dbraw/zinc/31/90/28/625319028.db2.gz BFTGLLQZDRYQCT-HNNXBMFYSA-N 1 0 286.375 3.427 20 10 CGCDRO CC(C)[C@H](C)[NH2+]Cc1cc(Br)ccc1O ZINC000163754753 619223036 /nfs/dbraw/zinc/22/30/36/619223036.db2.gz RLNGEZGBVGYMJQ-VIFPVBQESA-N 1 0 272.186 3.289 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCCOC1CCCC1 ZINC000840933553 619225576 /nfs/dbraw/zinc/22/55/76/619225576.db2.gz PSHSUUFDJJDSPZ-UHFFFAOYSA-N 1 0 290.451 3.500 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H](CCO)CC(C)C ZINC000840935382 619226976 /nfs/dbraw/zinc/22/69/76/619226976.db2.gz NTZRWHOFXNLSGE-MRXNPFEDSA-N 1 0 292.467 3.195 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@H+](C)C[C@H]1CCCC[C@H]1O ZINC000840936521 619227540 /nfs/dbraw/zinc/22/75/40/619227540.db2.gz KTRDSLBDBZZADF-SJLPKXTDSA-N 1 0 290.451 3.044 20 10 CGCDRO Cc1cccc(N2CC[NH+](Cc3cc(C)ccc3O)CC2)c1 ZINC000317164364 619244480 /nfs/dbraw/zinc/24/44/80/619244480.db2.gz YTCOXIFDAMHESO-UHFFFAOYSA-N 1 0 296.414 3.331 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H]1COc2ccccc21 ZINC000840946144 619245425 /nfs/dbraw/zinc/24/54/25/619245425.db2.gz GUCOQOUOWCPRLJ-INIZCTEOSA-N 1 0 296.414 3.327 20 10 CGCDRO COc1ccc(C[NH2+][C@H](C)CCC2CC2)c(O)c1OC ZINC000893648514 619268908 /nfs/dbraw/zinc/26/89/08/619268908.db2.gz IADBYJLUJDCSBV-LLVKDONJSA-N 1 0 279.380 3.078 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H](C)[C@@](C)(OC)C2CC2)c1O ZINC000840962033 619281637 /nfs/dbraw/zinc/28/16/37/619281637.db2.gz ZXXYLRWKJAJMAQ-YVEFUNNKSA-N 1 0 293.407 3.084 20 10 CGCDRO [O-]c1c(F)cc(F)cc1C[N@@H+]1CCC[C@H]1C1CC1 ZINC000894002609 619349290 /nfs/dbraw/zinc/34/92/90/619349290.db2.gz SXUXKOXMIFHMGE-ZDUSSCGKSA-N 1 0 253.292 3.045 20 10 CGCDRO CCCN(Cc1cn(C)nc1C1CC1)c1ccc(C[NH3+])cc1 ZINC000894044402 619358353 /nfs/dbraw/zinc/35/83/53/619358353.db2.gz ANTNQRUPYPHPHO-UHFFFAOYSA-N 1 0 298.434 3.173 20 10 CGCDRO CC(C)CCCC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000096867470 619358591 /nfs/dbraw/zinc/35/85/91/619358591.db2.gz RRHWFKYAEKNKRR-UHFFFAOYSA-N 1 0 290.451 3.439 20 10 CGCDRO COc1cc(C)cc(C[NH2+]Cc2ccc(C)c(F)c2)c1O ZINC000894157556 619395952 /nfs/dbraw/zinc/39/59/52/619395952.db2.gz VOSYTOCIYVPBOZ-UHFFFAOYSA-N 1 0 289.350 3.447 20 10 CGCDRO CN(c1ccc(C[NH2+]Cc2cnc[nH]2)cc1)C1CCCCC1 ZINC000894208907 619421192 /nfs/dbraw/zinc/42/11/92/619421192.db2.gz MZDGHXNGZNHBNC-UHFFFAOYSA-N 1 0 298.434 3.468 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@@H](C)[C@](C)(OC)C2CC2)c1O ZINC000894993375 619692416 /nfs/dbraw/zinc/69/24/16/619692416.db2.gz QPNQYDQCDCCRLB-SJCJKPOMSA-N 1 0 293.407 3.002 20 10 CGCDRO COc1cc(C)cc(C[NH2+]Cc2cc(C)nc(C)c2)c1O ZINC000895032057 619697727 /nfs/dbraw/zinc/69/77/27/619697727.db2.gz WEDMNXPXSQXZPO-UHFFFAOYSA-N 1 0 286.375 3.011 20 10 CGCDRO CCC[N@@H+](Cc1cc(OCC)ccc1O)CC1CC1 ZINC000154686300 619759679 /nfs/dbraw/zinc/75/96/79/619759679.db2.gz XFDMMQBQLBUPCC-UHFFFAOYSA-N 1 0 263.381 3.413 20 10 CGCDRO CC(C)C[C@H](C[NH2+]Cc1cc(Cl)ccc1O)N(C)C ZINC000020201566 619769534 /nfs/dbraw/zinc/76/95/34/619769534.db2.gz UKDMVPSYYJKXRO-CQSZACIVSA-N 1 0 284.831 3.112 20 10 CGCDRO COc1cc(C)cc(C[NH2+]C(C)(C2CC2)C2CC2)c1O ZINC000895332112 619806542 /nfs/dbraw/zinc/80/65/42/619806542.db2.gz FLKUDOJXTSOBAF-UHFFFAOYSA-N 1 0 275.392 3.378 20 10 CGCDRO COc1ccc(C[NH2+]C2(CC(C)C)CC2)c(O)c1OC ZINC000895451336 619831604 /nfs/dbraw/zinc/83/16/04/619831604.db2.gz WMRPKHMYEBESGV-UHFFFAOYSA-N 1 0 279.380 3.078 20 10 CGCDRO COc1cc(C)cc(C[NH2+]C[C@@H]2CCC(C)(C)CO2)c1O ZINC000895529862 619842477 /nfs/dbraw/zinc/84/24/77/619842477.db2.gz YPWPZIONRCBNNL-AWEZNQCLSA-N 1 0 293.407 3.004 20 10 CGCDRO CCc1cccc(C[N@@H+]2CC[C@H](c3nccs3)C2)c1O ZINC000895585570 619855403 /nfs/dbraw/zinc/85/54/03/619855403.db2.gz ZAWTWQYPAIZOSC-AWEZNQCLSA-N 1 0 288.416 3.401 20 10 CGCDRO Cc1cccc(C[NH2+]C(C)(C)[C@H](O)c2ccccc2)c1O ZINC000895659439 619865317 /nfs/dbraw/zinc/86/53/17/619865317.db2.gz XIXDIGWKABRAJP-QGZVFWFLSA-N 1 0 285.387 3.302 20 10 CGCDRO CO[C@H]1CC[C@@H](C)[N@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000895926458 619908645 /nfs/dbraw/zinc/90/86/45/619908645.db2.gz FSEJDYQEIXGWCG-HIFRSBDPSA-N 1 0 263.381 3.008 20 10 CGCDRO COc1cc(O)c(C[NH2+]C[C@@]23C[C@@H]2CCCC3)cc1OC ZINC000896264185 619983347 /nfs/dbraw/zinc/98/33/47/619983347.db2.gz FLNNFJICXLRFDB-SUMWQHHRSA-N 1 0 291.391 3.079 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCS[C@@H](C(F)(F)F)C2)c1 ZINC000896456007 620011562 /nfs/dbraw/zinc/01/15/62/620011562.db2.gz NGWPBIQUQIBVEL-GFCCVEGCSA-N 1 0 291.338 3.180 20 10 CGCDRO C[C@@H]1Cc2cc(C[NH2+]Cc3cc(F)ccc3O)ccc2O1 ZINC000896828998 620072737 /nfs/dbraw/zinc/07/27/37/620072737.db2.gz LTKGJVJNSWPXBG-LLVKDONJSA-N 1 0 287.334 3.145 20 10 CGCDRO C[N@@H+](Cc1ccccc1O)C[C@H](O)c1ccc(Cl)cc1 ZINC000303992730 620196674 /nfs/dbraw/zinc/19/66/74/620196674.db2.gz NIZIFLAMLCXHEK-INIZCTEOSA-N 1 0 291.778 3.211 20 10 CGCDRO CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])C1 ZINC000841743958 620345717 /nfs/dbraw/zinc/34/57/17/620345717.db2.gz DMJUEDDIKCGPQP-VXGBXAGGSA-N 1 0 282.815 3.038 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CC([NH3+])(CC)CC)cc1 ZINC000841030679 620408555 /nfs/dbraw/zinc/40/85/55/620408555.db2.gz KAEKTRQLRWAPHC-UHFFFAOYSA-N 1 0 277.456 3.140 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2C[C@@H]3CCC[C@H]23)c1 ZINC000897960204 620456877 /nfs/dbraw/zinc/45/68/77/620456877.db2.gz ZSEIJRMKUUNPMZ-TZQJONAQSA-N 1 0 261.365 3.240 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]CC[C@@H]1CCC(F)(F)C1 ZINC000898017738 620466893 /nfs/dbraw/zinc/46/68/93/620466893.db2.gz RRJHMQZLOHWTCF-JTQLQIEISA-N 1 0 273.298 3.446 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]CC[C@H]1CCC(F)(F)C1 ZINC000898017739 620467065 /nfs/dbraw/zinc/46/70/65/620467065.db2.gz RRJHMQZLOHWTCF-SNVBAGLBSA-N 1 0 273.298 3.446 20 10 CGCDRO COc1cccc(O)c1C[NH2+]CC[C@@H]1CCC(F)(F)C1 ZINC000898019397 620467528 /nfs/dbraw/zinc/46/75/28/620467528.db2.gz LJPXQWBYVZOHFP-NSHDSACASA-N 1 0 285.334 3.316 20 10 CGCDRO Oc1cccc(Cl)c1C[NH+]1CC(Cc2ccoc2)C1 ZINC000898160678 620484618 /nfs/dbraw/zinc/48/46/18/620484618.db2.gz OTMQDHWSEWROPP-UHFFFAOYSA-N 1 0 277.751 3.313 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C[C@H](O)c2ccco2)c(O)c1 ZINC000185837256 625463538 /nfs/dbraw/zinc/46/35/38/625463538.db2.gz TYUXXYOKODQOON-XEZPLFJOSA-N 1 0 289.375 3.456 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1N)c1ccccc1O ZINC000902439369 621319886 /nfs/dbraw/zinc/31/98/86/621319886.db2.gz RFHJHQIEUVCIAX-JFIYKMOQSA-N 1 0 282.387 3.058 20 10 CGCDRO CNc1ccccc1C[NH2+][C@H](C)c1ccccc1O ZINC000902644016 621392391 /nfs/dbraw/zinc/39/23/91/621392391.db2.gz NOAMOEGYBQUXFV-GFCCVEGCSA-N 1 0 256.349 3.285 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1O)c1ccc(N(C)C)cc1 ZINC000902968908 621502304 /nfs/dbraw/zinc/50/23/04/621502304.db2.gz YVEKEFPBGSHTCU-UPRAQXHNSA-N 1 0 296.414 3.062 20 10 CGCDRO COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)c2c(C)cc(C)cc2O)C1 ZINC000903128697 621591524 /nfs/dbraw/zinc/59/15/24/621591524.db2.gz HUNDZVABYULIEK-MJBXVCDLSA-N 1 0 291.391 3.001 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]Cc1nccc3c1CCCC3)CC2 ZINC000903182035 621615921 /nfs/dbraw/zinc/61/59/21/621615921.db2.gz LWHPLBADVTYPDP-MRXNPFEDSA-N 1 0 294.398 3.443 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc3c(c2)ncn3C)c(O)c1 ZINC000903204486 621626051 /nfs/dbraw/zinc/62/60/51/621626051.db2.gz QEVBRBOAYNADOO-CYBMUJFWSA-N 1 0 295.386 3.438 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](CO)CCc2ccccc2)c(O)c1 ZINC000903292672 621663153 /nfs/dbraw/zinc/66/31/53/621663153.db2.gz JYVMQOHCRFILMO-NVXWUHKLSA-N 1 0 299.414 3.345 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@@H]32)c1O ZINC000903318922 621673742 /nfs/dbraw/zinc/67/37/42/621673742.db2.gz SNCNZHOQKQKRIZ-UZGDPCLZSA-N 1 0 261.365 3.240 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@H](C)c2cncs2)c1O ZINC000903310495 621682460 /nfs/dbraw/zinc/68/24/60/621682460.db2.gz JWYYBDYZDGMCFA-VHSXEESVSA-N 1 0 278.377 3.269 20 10 CGCDRO C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1cncs1 ZINC000903311083 621683769 /nfs/dbraw/zinc/68/37/69/621683769.db2.gz MXCJLJNUDRHSCC-IUCAKERBSA-N 1 0 266.341 3.400 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@]23C[C@H]2COC32CCC2)c(O)c1 ZINC000903363124 621715184 /nfs/dbraw/zinc/71/51/84/621715184.db2.gz HNQRRSQCCVNRCO-GRDNDAEWSA-N 1 0 287.403 3.310 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+][C@H]2COC[C@H]2C2CC2)c2c1c(F)ccc2O ZINC000903434697 621745097 /nfs/dbraw/zinc/74/50/97/621745097.db2.gz AJOBMUOIZBZMJY-OJDJGZDQSA-N 1 0 291.366 3.094 20 10 CGCDRO C[C@H]([NH2+][C@@H]1COC[C@@H]1C1CC1)c1ccc(Cl)cc1O ZINC000903441236 621750475 /nfs/dbraw/zinc/75/04/75/621750475.db2.gz ZYFBTEJRZZFBJQ-CUOATXAZSA-N 1 0 281.783 3.121 20 10 CGCDRO Cc1cccc(C[NH2+]CCCc2ccccc2)c1O ZINC000083411581 625517143 /nfs/dbraw/zinc/51/71/43/625517143.db2.gz ZEMBUUWXXVGATJ-UHFFFAOYSA-N 1 0 255.361 3.423 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CC2(CO)CCCC2)c(O)c1C ZINC000769996917 625581714 /nfs/dbraw/zinc/58/17/14/625581714.db2.gz XLLCAPVGJPPNNR-AWEZNQCLSA-N 1 0 277.408 3.212 20 10 CGCDRO Cc1cc(C)c(O)c(C[NH+]2C[C@H](C)S[C@@H](C)C2)c1 ZINC000164415832 622834431 /nfs/dbraw/zinc/83/44/31/622834431.db2.gz YNZSCGPONHCVNC-STQMWFEESA-N 1 0 265.422 3.335 20 10 CGCDRO Cc1cc(C)c(O)c(C[NH+]2C[C@@H](C)S[C@H](C)C2)c1 ZINC000164415746 622834885 /nfs/dbraw/zinc/83/48/85/622834885.db2.gz YNZSCGPONHCVNC-CHWSQXEVSA-N 1 0 265.422 3.335 20 10 CGCDRO CCOCCCC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000165099180 622855469 /nfs/dbraw/zinc/85/54/69/622855469.db2.gz GAYJSGPRWRVQBJ-CQSZACIVSA-N 1 0 264.413 3.220 20 10 CGCDRO CCN(CC)C[C@@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000045692636 622886699 /nfs/dbraw/zinc/88/66/99/622886699.db2.gz ZQTMTPDLEKTORK-CABCVRRESA-N 1 0 277.456 3.134 20 10 CGCDRO CC[C@H]([NH2+]C[C@@]1(C)CCCO1)c1ccc(N(C)C)cc1 ZINC000167059421 622921194 /nfs/dbraw/zinc/92/11/94/622921194.db2.gz JHQYMKJILPFSNM-DLBZAZTESA-N 1 0 276.424 3.362 20 10 CGCDRO CS[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(F)ccc1O ZINC000226610352 622986907 /nfs/dbraw/zinc/98/69/07/622986907.db2.gz RGQGGAQHXVLAIT-TZMCWYRMSA-N 1 0 269.385 3.295 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1CCCCS1)c1cc(F)ccc1O ZINC000158033266 622994972 /nfs/dbraw/zinc/99/49/72/622994972.db2.gz FVSRFIWIPZNHLC-PWSUYJOCSA-N 1 0 269.385 3.468 20 10 CGCDRO C[C@@H]1CCC[C@@H](C[NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000227439747 623019149 /nfs/dbraw/zinc/01/91/49/623019149.db2.gz AJZGYUKRTLRCAV-VXGBXAGGSA-N 1 0 277.364 3.037 20 10 CGCDRO COc1cccc(CC[NH2+]Cc2cc(Cl)ccc2O)c1 ZINC000227437864 623019501 /nfs/dbraw/zinc/01/95/01/623019501.db2.gz RXVLAQWIGIOPLQ-UHFFFAOYSA-N 1 0 291.778 3.387 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCC[C@H]2C)c1O ZINC000228673916 623070539 /nfs/dbraw/zinc/07/05/39/623070539.db2.gz PEKCGMRMHQCVBH-BXKDBHETSA-N 1 0 269.772 3.332 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@]2(C)CCO[C@@H]2C)cc1 ZINC000230155639 623215014 /nfs/dbraw/zinc/21/50/14/623215014.db2.gz OQAPVMQCKDMGLK-PBHICJAKSA-N 1 0 276.424 3.190 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@]2(C)CCO[C@@H]2C)cc1 ZINC000230155642 623216344 /nfs/dbraw/zinc/21/63/44/623216344.db2.gz OQAPVMQCKDMGLK-RHSMWYFYSA-N 1 0 276.424 3.190 20 10 CGCDRO CCC1(C[NH2+]Cc2cc3c(cc2O)OCO3)CCCC1 ZINC000230200156 623221732 /nfs/dbraw/zinc/22/17/32/623221732.db2.gz DZKVRUGGMWTRCT-UHFFFAOYSA-N 1 0 277.364 3.181 20 10 CGCDRO c1ccc(C[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC000062351259 623226947 /nfs/dbraw/zinc/22/69/47/623226947.db2.gz DCVCKNAHEYPYQO-UHFFFAOYSA-N 1 0 253.345 3.301 20 10 CGCDRO CCOc1cccc(C[NH2+][C@H]2CC[C@H](SC)C2)c1O ZINC000230699013 623263180 /nfs/dbraw/zinc/26/31/80/623263180.db2.gz FLSJDJDQLWPVRL-STQMWFEESA-N 1 0 281.421 3.165 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2CC[C@H](SC)C2)cc1C ZINC000230699155 623263411 /nfs/dbraw/zinc/26/34/11/623263411.db2.gz OXEKXANICFVMDX-KBPBESRZSA-N 1 0 265.422 3.377 20 10 CGCDRO COc1ccc(CNC[C@@H](C(C)C)[NH+]2CCCC2)cc1C ZINC000035258573 623423650 /nfs/dbraw/zinc/42/36/50/623423650.db2.gz DWLSGCAZCQBDEJ-KRWDZBQOSA-N 1 0 290.451 3.214 20 10 CGCDRO Cn1c(-c2ccccc2)cnc1SCC[NH+]1CCCC1 ZINC000918060843 624330876 /nfs/dbraw/zinc/33/08/76/624330876.db2.gz ZKNSAOFTWODGOB-UHFFFAOYSA-N 1 0 287.432 3.275 20 10 CGCDRO COc1ccc(C[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC000921472430 624596919 /nfs/dbraw/zinc/59/69/19/624596919.db2.gz FUQYGCHAHUTYJK-UHFFFAOYSA-N 1 0 283.371 3.310 20 10 CGCDRO c1cc(C[NH2+]Cc2ccc3c(c2)CCCO3)cc2c1OCO2 ZINC000921474027 624599052 /nfs/dbraw/zinc/59/90/52/624599052.db2.gz KKTBNYBBBRUIQB-UHFFFAOYSA-N 1 0 297.354 3.030 20 10 CGCDRO Cc1ccccc1C[C@@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000237555659 624657960 /nfs/dbraw/zinc/65/79/60/624657960.db2.gz PNHAHWDHZKXKIU-CYBMUJFWSA-N 1 0 299.370 3.150 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000179569557 624664075 /nfs/dbraw/zinc/66/40/75/624664075.db2.gz CANVUZVWZMIOLO-HNNXBMFYSA-N 1 0 297.354 3.458 20 10 CGCDRO CC[N@H+](Cc1ccc2c(c1)OCO2)Cc1cccc(C)c1O ZINC000179604566 624670079 /nfs/dbraw/zinc/67/00/79/624670079.db2.gz FNNYMMQFJWBBCF-UHFFFAOYSA-N 1 0 299.370 3.451 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCO[C@](C)(c3ccccc3)C2)c1O ZINC000180203236 624726831 /nfs/dbraw/zinc/72/68/31/624726831.db2.gz FYJOPLLRTFFSIG-IBGZPJMESA-N 1 0 297.398 3.448 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCc3ccc(F)cc3C2)c1O ZINC000180235154 624729222 /nfs/dbraw/zinc/72/92/22/624729222.db2.gz XAZXXJIMZQHWKD-UHFFFAOYSA-N 1 0 271.335 3.398 20 10 CGCDRO CCOc1cccc(C[NH2+][C@H](C)C2CCCC2)c1O ZINC000070305840 624995977 /nfs/dbraw/zinc/99/59/77/624995977.db2.gz NQOJSNLGAYPUGI-GFCCVEGCSA-N 1 0 263.381 3.459 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(C#N)cc2C)c1 ZINC000186321921 625787019 /nfs/dbraw/zinc/78/70/19/625787019.db2.gz GEBJYLSDFGMYDL-CYBMUJFWSA-N 1 0 296.370 3.432 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CC[C@H](C)[C@@H](C)C2)c1 ZINC000085039044 625791807 /nfs/dbraw/zinc/79/18/07/625791807.db2.gz XXSHANNKQZOQPT-SGMGOOAPSA-N 1 0 263.381 3.315 20 10 CGCDRO Oc1cccc(C[NH2+]Cc2ccc3c(c2)CCCO3)c1 ZINC000921655235 625810106 /nfs/dbraw/zinc/81/01/06/625810106.db2.gz QDWDIOSQPXWFSR-UHFFFAOYSA-N 1 0 269.344 3.007 20 10 CGCDRO Cc1ccc(CC[NH2+]Cc2ccc3c(c2)CCCO3)cn1 ZINC000921725356 625855731 /nfs/dbraw/zinc/85/57/31/625855731.db2.gz QOKGZSISIHQLPK-UHFFFAOYSA-N 1 0 282.387 3.047 20 10 CGCDRO C[C@H](C[NH2+]Cc1ccc2c(c1)CCCO2)c1ccncc1 ZINC000921817163 625886405 /nfs/dbraw/zinc/88/64/05/625886405.db2.gz IYHVOGHUJXNFTH-CQSZACIVSA-N 1 0 282.387 3.300 20 10 CGCDRO CC(C)([NH2+]Cc1ccc2c(c1)CCCO2)C1CCOCC1 ZINC000922072260 625968896 /nfs/dbraw/zinc/96/88/96/625968896.db2.gz GEVJJVWUCZADBX-UHFFFAOYSA-N 1 0 289.419 3.306 20 10 CGCDRO Cc1cccc(CCC[NH2+]Cc2ccc3c(c2)CCCO3)n1 ZINC000922121824 625970876 /nfs/dbraw/zinc/97/08/76/625970876.db2.gz HXVDZZNFNQXQDZ-UHFFFAOYSA-N 1 0 296.414 3.437 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2c(Cl)n[nH]c2C2CC2)c1 ZINC000922286427 625993313 /nfs/dbraw/zinc/99/33/13/625993313.db2.gz XSCCRUPUBSTNRE-UHFFFAOYSA-N 1 0 291.782 3.244 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H](C2CC2)[C@H]2CCCOC2)cc1 ZINC000922894153 626091287 /nfs/dbraw/zinc/09/12/87/626091287.db2.gz YNKBFYKFYSMLNH-WMZOPIPTSA-N 1 0 288.435 3.047 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@]2(C)CCOC2)c(O)c1C ZINC000756575843 626097455 /nfs/dbraw/zinc/09/74/55/626097455.db2.gz QQNJSOVNHWGXPT-CJNGLKHVSA-N 1 0 263.381 3.086 20 10 CGCDRO CC[C@@H]([NH2+][C@H](CO)C[C@@H](C)CC)c1ccccc1O ZINC000842918919 626290079 /nfs/dbraw/zinc/29/00/79/626290079.db2.gz VIKGPHUQFKOLAI-KCQAQPDRSA-N 1 0 265.397 3.230 20 10 CGCDRO CCOc1ccc(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)c(O)c1 ZINC000839186359 626327681 /nfs/dbraw/zinc/32/76/81/626327681.db2.gz JJSSQKQAMNRJJH-UGFHNGPFSA-N 1 0 261.365 3.069 20 10 CGCDRO CC(C)(C)O[C@H]1C[C@H]([NH2+]Cc2ccccc2O)C1(C)C ZINC000839191848 626328536 /nfs/dbraw/zinc/32/85/36/626328536.db2.gz KSPBTUQUYWXLEI-GJZGRUSLSA-N 1 0 277.408 3.464 20 10 CGCDRO CC(C)(C)O[C@@H]1C[C@@H]([NH2+]Cc2ccccc2O)C1(C)C ZINC000839191850 626328634 /nfs/dbraw/zinc/32/86/34/626328634.db2.gz KSPBTUQUYWXLEI-HUUCEWRRSA-N 1 0 277.408 3.464 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000839191996 626328822 /nfs/dbraw/zinc/32/88/22/626328822.db2.gz RRYALWMYMWOXJH-FIXIBIHLSA-N 1 0 261.365 3.240 20 10 CGCDRO CCC[N@H+](CCc1cncs1)Cc1ccccc1O ZINC000839498294 626356916 /nfs/dbraw/zinc/35/69/16/626356916.db2.gz IBKVWORWFDMLGM-UHFFFAOYSA-N 1 0 276.405 3.303 20 10 CGCDRO C[C@@H]1C[NH+](Cc2c(O)ccc3ccncc32)C[C@H]1C ZINC000751930829 626412028 /nfs/dbraw/zinc/41/20/28/626412028.db2.gz UXDCTYAQDLZEQA-VXGBXAGGSA-N 1 0 256.349 3.028 20 10 CGCDRO Cc1ccc(O)c(CN(CCC[NH3+])c2ccccc2F)c1 ZINC000753592120 626457574 /nfs/dbraw/zinc/45/75/74/626457574.db2.gz WSBJAJZBNLMNDA-UHFFFAOYSA-N 1 0 288.366 3.195 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CCOc3ccccc3C2)c1O ZINC000754726983 626584984 /nfs/dbraw/zinc/58/49/84/626584984.db2.gz CVJYXBFHAZNBIG-UHFFFAOYSA-N 1 0 299.370 3.104 20 10 CGCDRO COc1cc(C)cc(C[N@@H+](C)C2CCC(OC)CC2)c1O ZINC000754726591 626585099 /nfs/dbraw/zinc/58/50/99/626585099.db2.gz TVGKYKVYVKGGPN-UHFFFAOYSA-N 1 0 293.407 3.099 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CC[C@@H](C(C)C)C2)c1O ZINC000754740428 626585876 /nfs/dbraw/zinc/58/58/76/626585876.db2.gz RTDQSWQUTKCCKT-CYBMUJFWSA-N 1 0 263.381 3.187 20 10 CGCDRO CC[C@@H](C)C[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000755909988 626658736 /nfs/dbraw/zinc/65/87/36/626658736.db2.gz VXLKVAVYIVVHOD-OAHLLOKOSA-N 1 0 276.424 3.253 20 10 CGCDRO C[C@@H]([NH2+]Cc1cn2ccccc2n1)c1cc(F)ccc1O ZINC000756363633 626696991 /nfs/dbraw/zinc/69/69/91/626696991.db2.gz QACCPIWJIOPKTH-LLVKDONJSA-N 1 0 285.322 3.030 20 10 CGCDRO C[C@H]([NH2+]Cc1ccccc1CO)c1cc(Cl)ccc1O ZINC000756459396 626707059 /nfs/dbraw/zinc/70/70/59/626707059.db2.gz NWLQZBIRNFQNSG-NSHDSACASA-N 1 0 291.778 3.389 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)CC(C)C)c(O)c1C ZINC000756498618 626710186 /nfs/dbraw/zinc/71/01/86/626710186.db2.gz VLDLIPDTNIOOBE-ZIAGYGMSSA-N 1 0 265.397 3.067 20 10 CGCDRO CCCCOCC[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756503718 626710529 /nfs/dbraw/zinc/71/05/29/626710529.db2.gz LTYFQJPEYOFLPD-YPMHNXCESA-N 1 0 281.371 3.486 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cscn2)c(O)c1C ZINC000756507065 626710632 /nfs/dbraw/zinc/71/06/32/626710632.db2.gz ADFQTYPWFWGRGY-LLVKDONJSA-N 1 0 262.378 3.316 20 10 CGCDRO CO[C@H](C)CC[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756525559 626711941 /nfs/dbraw/zinc/71/19/41/626711941.db2.gz QJQBMGBBCNWMRF-HOSYDEDBSA-N 1 0 267.344 3.094 20 10 CGCDRO CCc1cc(C[NH2+][C@@H](C)c2cc(Cl)ccc2O)[nH]n1 ZINC000756570343 626716200 /nfs/dbraw/zinc/71/62/00/626716200.db2.gz AQXVQRYJNCLLEC-VIFPVBQESA-N 1 0 279.771 3.182 20 10 CGCDRO C[C@@H]([NH2+]C[C@](C)(O)C1CC1)c1cc2c(cc1O)CCCC2 ZINC000756569558 626716534 /nfs/dbraw/zinc/71/65/34/626716534.db2.gz QSPMIHWZZUVBGC-XIKOKIGWSA-N 1 0 289.419 3.083 20 10 CGCDRO CCC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000756579164 626717513 /nfs/dbraw/zinc/71/75/13/626717513.db2.gz ZIZDDWPXZLNLIJ-CZUORRHYSA-N 1 0 265.397 3.211 20 10 CGCDRO CC[C@H](C)[C@@H](O)C[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000756576380 626717635 /nfs/dbraw/zinc/71/76/35/626717635.db2.gz TWXZJVAZYXTUEN-XEGUGMAKSA-N 1 0 265.397 3.067 20 10 CGCDRO C[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)c1cnn(C)c1 ZINC000756605427 626719931 /nfs/dbraw/zinc/71/99/31/626719931.db2.gz IHCVKNJJFLBTJC-NRUUGDAUSA-N 1 0 289.354 3.164 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCN2CC[C@H](C)C2)c(O)c1C ZINC000756627390 626721856 /nfs/dbraw/zinc/72/18/56/626721856.db2.gz HYFMKZKISOOVBR-SWLSCSKDSA-N 1 0 276.424 3.001 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)c1cc(OC)ccc1O)C1CCOCC1 ZINC000756628482 626722174 /nfs/dbraw/zinc/72/21/74/626722174.db2.gz MNZSRLKKQWAJFC-LRDDRELGSA-N 1 0 293.407 3.257 20 10 CGCDRO CO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(C)c(C)c2O)C1(C)C ZINC000756649311 626724577 /nfs/dbraw/zinc/72/45/77/626724577.db2.gz OQENRLJQKMYCMB-AEGPPILISA-N 1 0 277.408 3.473 20 10 CGCDRO Cc1noc(CCC[NH2+][C@H](C)c2cc(Cl)ccc2O)n1 ZINC000756684031 626726751 /nfs/dbraw/zinc/72/67/51/626726751.db2.gz JNYQKXUMVHZGTE-SECBINFHSA-N 1 0 295.770 3.020 20 10 CGCDRO CC[C@H](O)CCC[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000756733002 626728400 /nfs/dbraw/zinc/72/84/00/626728400.db2.gz LVZKUENSTGNMDX-BBRMVZONSA-N 1 0 291.435 3.473 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CC2(CCO)CCC2)c(O)c1C ZINC000756764404 626730006 /nfs/dbraw/zinc/73/00/06/626730006.db2.gz IQRJFVGURYXIDY-CQSZACIVSA-N 1 0 277.408 3.212 20 10 CGCDRO C[C@H]1C[C@@H]([NH2+]Cc2cccc(F)n2)c2c1c(F)ccc2O ZINC000756768234 626730705 /nfs/dbraw/zinc/73/07/05/626730705.db2.gz KYHZZEQFINTVML-JOYOIKCWSA-N 1 0 290.313 3.404 20 10 CGCDRO C[C@@H]([NH2+][C@H](CO)CC(F)(F)F)c1cc(Cl)ccc1O ZINC000756775054 626731561 /nfs/dbraw/zinc/73/15/61/626731561.db2.gz HDUYVLURPCDCME-APPZFPTMSA-N 1 0 297.704 3.010 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2[C@H](C)[C@@H](OC)C2(C)C)c1 ZINC000756789660 626732383 /nfs/dbraw/zinc/73/23/83/626732383.db2.gz HXPIENNIWSLLQY-DPDCMNJDSA-N 1 0 293.407 3.111 20 10 CGCDRO C[C@@H](Nc1cnn(-c2cc[nH+]cc2)c1)c1cc(F)ccc1O ZINC000756867301 626738554 /nfs/dbraw/zinc/73/85/54/626738554.db2.gz IDSCEFVCYUZHHJ-LLVKDONJSA-N 1 0 298.321 3.285 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)C[C@H](C)O)c1cc2c(cc1O)CCCC2 ZINC000757659090 626798509 /nfs/dbraw/zinc/79/85/09/626798509.db2.gz YHZLITVQFYWJSW-RWMBFGLXSA-N 1 0 277.408 3.081 20 10 CGCDRO CC(C)OCC[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000757686993 626800676 /nfs/dbraw/zinc/80/06/76/626800676.db2.gz KYZMADKWDOGFAD-CMPLNLGQSA-N 1 0 267.344 3.094 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CC23CCCC3)cc1F ZINC000758527365 626847847 /nfs/dbraw/zinc/84/78/47/626847847.db2.gz WNXXJTFEFSLFRJ-OAHLLOKOSA-N 1 0 262.372 3.314 20 10 CGCDRO Cc1ccc(C(C)(C)[NH2+]Cc2ccc3c(c2)CCO3)cn1 ZINC000759187159 626879217 /nfs/dbraw/zinc/87/92/17/626879217.db2.gz NLPDTIRBNGVCGS-UHFFFAOYSA-N 1 0 282.387 3.350 20 10 CGCDRO COC1(C[C@H](C)[NH2+]Cc2ccc3c(c2)CCO3)CCC1 ZINC000759988499 626934471 /nfs/dbraw/zinc/93/44/71/626934471.db2.gz KHXHXWGMPFPZFZ-ZDUSSCGKSA-N 1 0 275.392 3.059 20 10 CGCDRO CC[N@H+](CCC1CC1)Cc1cc(OC)c(C)cc1O ZINC000760538688 626977250 /nfs/dbraw/zinc/97/72/50/626977250.db2.gz NLNFXVZPMUNARE-UHFFFAOYSA-N 1 0 263.381 3.331 20 10 CGCDRO CC[C@@H](CC(F)(F)F)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000760656288 626983559 /nfs/dbraw/zinc/98/35/59/626983559.db2.gz HKHLYTFWDGDDFN-LBPRGKRZSA-N 1 0 273.298 3.442 20 10 CGCDRO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)C1(C)C ZINC000761197737 627024207 /nfs/dbraw/zinc/02/42/07/627024207.db2.gz CQGHDCNXFHYBMN-IUIKQTSFSA-N 1 0 294.414 3.041 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc(F)cn2)cc1 ZINC000763517795 627162402 /nfs/dbraw/zinc/16/24/02/627162402.db2.gz HDTICFAWXCLBJJ-UHFFFAOYSA-N 1 0 287.382 3.357 20 10 CGCDRO C[N@H+](Cc1ccc(N2CCCCC2)cc1)CC1(O)CCC1 ZINC000764141133 627196864 /nfs/dbraw/zinc/19/68/64/627196864.db2.gz WLVDSSSHJJTLIX-UHFFFAOYSA-N 1 0 288.435 3.024 20 10 CGCDRO C[N@H+](Cc1ccc(N2CCCCC2)cc1)[C@@H]1CCCOC1 ZINC000764140904 627197092 /nfs/dbraw/zinc/19/70/92/627197092.db2.gz QWNRZFUHJPXYCN-GOSISDBHSA-N 1 0 288.435 3.288 20 10 CGCDRO CC(C)O[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C1(C)C ZINC000765814217 627272849 /nfs/dbraw/zinc/27/28/49/627272849.db2.gz WINZAQQQRLGCSS-IAGOWNOFSA-N 1 0 289.419 3.303 20 10 CGCDRO CC[C@H]([NH2+]CCN1CC[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000766380371 627325021 /nfs/dbraw/zinc/32/50/21/627325021.db2.gz CWQCFFZELBVPEO-YJBOKZPZSA-N 1 0 289.467 3.135 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CC(C)(C)OC)cc1 ZINC000766583060 627346218 /nfs/dbraw/zinc/34/62/18/627346218.db2.gz BDJBLSUQBAHNGV-ZDUSSCGKSA-N 1 0 264.413 3.218 20 10 CGCDRO C[C@]1(C[NH2+]Cc2cc(Cl)ccc2O)CCO[C@@H]1C1CC1 ZINC000767195640 627389230 /nfs/dbraw/zinc/38/92/30/627389230.db2.gz OLAAGLUFSQXNOL-HZPDHXFCSA-N 1 0 295.810 3.340 20 10 CGCDRO CCOc1ccc(C[N@H+](C)Cc2ccc(C)o2)c(O)c1 ZINC000768168780 627465275 /nfs/dbraw/zinc/46/52/75/627465275.db2.gz NZZSLLCUKAESSR-UHFFFAOYSA-N 1 0 275.348 3.324 20 10 CGCDRO COc1cccc(O)c1C[N@H+](C)CCCc1ccccc1 ZINC000768335985 627474114 /nfs/dbraw/zinc/47/41/14/627474114.db2.gz DOXNROWIFAHPGM-UHFFFAOYSA-N 1 0 285.387 3.465 20 10 CGCDRO CCC[C@H]1C[N@H+](Cc2cc3c(cc2O)CCCC3)CCO1 ZINC000768466243 627481144 /nfs/dbraw/zinc/48/11/44/627481144.db2.gz WHLIHNDVEASLKZ-KRWDZBQOSA-N 1 0 289.419 3.272 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCc3ccc(O)cc3CC2)cc1 ZINC000769192107 627530415 /nfs/dbraw/zinc/53/04/15/627530415.db2.gz YFFAKVPWIOKXPG-UHFFFAOYSA-N 1 0 296.414 3.059 20 10 CGCDRO CC(C)(C)[N@@H+]1CCCN(Cc2c(O)cccc2Cl)CC1 ZINC000769188944 627530676 /nfs/dbraw/zinc/53/06/76/627530676.db2.gz SNRWLGGRCBKAEB-UHFFFAOYSA-N 1 0 296.842 3.352 20 10 CGCDRO CC(C)C[C@H]1COCCN1Cc1cc(Cl)ccc1O ZINC000769398846 627548647 /nfs/dbraw/zinc/54/86/47/627548647.db2.gz KHILEIKWUFEXNW-AWEZNQCLSA-N 1 0 283.799 3.293 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)CCC2CC2)cc1F ZINC000770374341 627615402 /nfs/dbraw/zinc/61/54/02/627615402.db2.gz LYFHPCQLGJUACO-UHFFFAOYSA-N 1 0 250.361 3.124 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000770371935 627615514 /nfs/dbraw/zinc/61/55/14/627615514.db2.gz CVUZBJLOOAXMHU-CHWSQXEVSA-N 1 0 295.810 3.294 20 10 CGCDRO CSc1cc(C[NH2+]Cc2c(O)cccc2Cl)ccn1 ZINC000771880273 627739534 /nfs/dbraw/zinc/73/95/34/627739534.db2.gz DYWKNZLTCNZUDV-UHFFFAOYSA-N 1 0 294.807 3.452 20 10 CGCDRO CCN(CC)c1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000772597860 627805426 /nfs/dbraw/zinc/80/54/26/627805426.db2.gz CRPVBKSBVBLELC-GJZGRUSLSA-N 1 0 276.424 3.142 20 10 CGCDRO C[C@@H]([NH2+]C1CCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000772962039 627835101 /nfs/dbraw/zinc/83/51/01/627835101.db2.gz XXWGMRJVSWDEQE-GFCCVEGCSA-N 1 0 294.826 3.380 20 10 CGCDRO CCN(C)c1ccc(C[N@H+](C)[C@H]2CCN(C)[C@H](C)C2)cc1 ZINC000773756978 627911002 /nfs/dbraw/zinc/91/10/02/627911002.db2.gz XYFBWJHFDJQQLW-QAPCUYQASA-N 1 0 289.467 3.057 20 10 CGCDRO CC[C@H]1C[N@H+](Cc2ccc(N(C)CC)cc2)CCS1 ZINC000773756156 627911522 /nfs/dbraw/zinc/91/15/22/627911522.db2.gz UGESPOFLPOTDCV-INIZCTEOSA-N 1 0 278.465 3.470 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@H]3COCC[C@H]32)cc1 ZINC000773766750 627913839 /nfs/dbraw/zinc/91/38/39/627913839.db2.gz VFLSMDYGVCQCTD-FUHWJXTLSA-N 1 0 288.435 3.144 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCSC[C@@H](C)C2)cc1 ZINC000773888690 627925429 /nfs/dbraw/zinc/92/54/29/627925429.db2.gz MATBBEDDGRPGAV-AWEZNQCLSA-N 1 0 278.465 3.328 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCCCN2C2CC2)c1 ZINC000774379173 627984103 /nfs/dbraw/zinc/98/41/03/627984103.db2.gz NZJRWOSZEJOENO-GDBMZVCRSA-N 1 0 288.435 3.368 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2CCC[C@@H]2OC)cc1 ZINC000774830919 628035966 /nfs/dbraw/zinc/03/59/66/628035966.db2.gz GMJQHRHOXRJZDY-AEFFLSMTSA-N 1 0 290.451 3.438 20 10 CGCDRO CC[C@@H]([NH2+]CCN1CCc2ccccc21)c1ccccc1O ZINC000775496623 628100956 /nfs/dbraw/zinc/10/09/56/628100956.db2.gz KVWXYJBOMWNLHS-QGZVFWFLSA-N 1 0 296.414 3.496 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cc[nH]n1)c1cc(Cl)ccc1O ZINC000775502473 628102106 /nfs/dbraw/zinc/10/21/06/628102106.db2.gz SEKYRWFCLQXOLR-GFCCVEGCSA-N 1 0 265.744 3.010 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc(F)cn1)c1ccccc1O ZINC000775514172 628102436 /nfs/dbraw/zinc/10/24/36/628102436.db2.gz RGUAJWXLVJRRDB-CQSZACIVSA-N 1 0 260.312 3.167 20 10 CGCDRO CC[C@@H]([NH2+][C@H](C)Cn1cccn1)c1cc(Cl)ccc1O ZINC000775519121 628103463 /nfs/dbraw/zinc/10/34/63/628103463.db2.gz IRGNPPBKSSRSDK-BXUZGUMPSA-N 1 0 293.798 3.372 20 10 CGCDRO CC[C@H]([NH2+][C@@H](CCO)C1CC1)c1cc(Cl)ccc1O ZINC000775526876 628104355 /nfs/dbraw/zinc/10/43/55/628104355.db2.gz MUCFXNAWTRVERD-KBPBESRZSA-N 1 0 283.799 3.247 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H](OC)C(F)(F)F)c1ccccc1O ZINC000775538543 628104905 /nfs/dbraw/zinc/10/49/05/628104905.db2.gz WYWSJYVCWMQPGU-ZYHUDNBSSA-N 1 0 277.286 3.010 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H](OC)C(F)(F)F)c1ccccc1O ZINC000775538542 628105010 /nfs/dbraw/zinc/10/50/10/628105010.db2.gz WYWSJYVCWMQPGU-PWSUYJOCSA-N 1 0 277.286 3.010 20 10 CGCDRO CCO[C@H]1CCC[N@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000775634020 628117411 /nfs/dbraw/zinc/11/74/11/628117411.db2.gz NSGDVPROUVADFG-AWEZNQCLSA-N 1 0 283.799 3.355 20 10 CGCDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2cccc(C)c2O)C12CCC2 ZINC000775743378 628132288 /nfs/dbraw/zinc/13/22/88/628132288.db2.gz ZKJSMAFTQRYULK-HOTGVXAUSA-N 1 0 289.419 3.480 20 10 CGCDRO COc1ccnc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775832727 628140211 /nfs/dbraw/zinc/14/02/11/628140211.db2.gz AUTAJZSRJVBKJV-ZDUSSCGKSA-N 1 0 285.391 3.007 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CCc3ccccc32)c1 ZINC000776175295 628176555 /nfs/dbraw/zinc/17/65/55/628176555.db2.gz OJAGWDTXYPAGGD-AWEZNQCLSA-N 1 0 283.371 3.220 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H](c2cccnc2)C2CC2)c1O ZINC000776253726 628185372 /nfs/dbraw/zinc/18/53/72/628185372.db2.gz PPTQSBYDULYDAS-MRXNPFEDSA-N 1 0 268.360 3.337 20 10 CGCDRO COc1ccc(O)c(C[NH2+]Cc2cc(F)cc(Cl)c2)c1 ZINC000776801745 628232822 /nfs/dbraw/zinc/23/28/22/628232822.db2.gz YRGCSFLAFGUHJH-UHFFFAOYSA-N 1 0 295.741 3.483 20 10 CGCDRO COc1cccc(O)c1C[NH2+][C@H]1CCO[C@@H](CC(C)C)C1 ZINC000776948995 628240721 /nfs/dbraw/zinc/24/07/21/628240721.db2.gz JGOQVBOBFWQFBI-KBPBESRZSA-N 1 0 293.407 3.084 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H]2C2CCOCC2)c1 ZINC000777440186 628270892 /nfs/dbraw/zinc/27/08/92/628270892.db2.gz VZELPSKYEZFJOF-MRXNPFEDSA-N 1 0 275.392 3.092 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)CCC3)C[C@H]1F ZINC000777970065 628317349 /nfs/dbraw/zinc/31/73/49/628317349.db2.gz VAHMDRQWQSBIFY-IAQYHMDHSA-N 1 0 263.356 3.061 20 10 CGCDRO Cc1cccc(C[N@@H+](C)Cc2cc(F)ccc2O)c1 ZINC000778994285 628381612 /nfs/dbraw/zinc/38/16/12/628381612.db2.gz CFKCARQOIIUECZ-UHFFFAOYSA-N 1 0 259.324 3.472 20 10 CGCDRO CC(C)[C@H]1C[C@H](C[NH2+]Cc2ccc3c(c2)CCO3)CCO1 ZINC000779063854 628385997 /nfs/dbraw/zinc/38/59/97/628385997.db2.gz AVGUBMXRNKNVNE-CRAIPNDOSA-N 1 0 289.419 3.162 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCc3cc(F)ccc3C2)cc1 ZINC000779598464 628417624 /nfs/dbraw/zinc/41/76/24/628417624.db2.gz JDZIRBOCVHBJSF-UHFFFAOYSA-N 1 0 284.378 3.450 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+][C@@H](C)[C@H]2CCCOC2)c1O ZINC000780780101 628516681 /nfs/dbraw/zinc/51/66/81/628516681.db2.gz ICVDUGXGRYWUGS-RYUDHWBXSA-N 1 0 283.799 3.259 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+][C@@H](C)[C@@H]2CCCOC2)c1O ZINC000780780100 628516814 /nfs/dbraw/zinc/51/68/14/628516814.db2.gz ICVDUGXGRYWUGS-NWDGAFQWSA-N 1 0 283.799 3.259 20 10 CGCDRO COC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C)C1CCCC1 ZINC000783246914 628694436 /nfs/dbraw/zinc/69/44/36/628694436.db2.gz UKCXKQHJLIEUAS-GOSISDBHSA-N 1 0 290.451 3.356 20 10 CGCDRO COC[C@H](Cc1ccccc1)[NH2+][C@H](C)c1ccccc1O ZINC000783515842 628719865 /nfs/dbraw/zinc/71/98/65/628719865.db2.gz CGOCGUDPGWGQLG-ZBFHGGJFSA-N 1 0 285.387 3.301 20 10 CGCDRO Cc1cccn2cc(CC[NH2+][C@@H](C)c3ccccc3O)nc12 ZINC000783516164 628720046 /nfs/dbraw/zinc/72/00/46/628720046.db2.gz FGFDPMDWFNWNPP-AWEZNQCLSA-N 1 0 295.386 3.242 20 10 CGCDRO C[C@H]([NH2+]C1(c2ccc3c(c2)OCO3)CC1)c1ccccc1O ZINC000783523697 628721381 /nfs/dbraw/zinc/72/13/81/628721381.db2.gz JGUONKIAAGIFED-LBPRGKRZSA-N 1 0 297.354 3.461 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCS[C@@H]1C ZINC000783628886 628732802 /nfs/dbraw/zinc/73/28/02/628732802.db2.gz NDNQCPDSDBLXIG-DOMZBBRYSA-N 1 0 264.438 3.045 20 10 CGCDRO Cc1cccc(C[NH2+]C[C@@]2(O)CCCC(C)(C)C2)c1O ZINC000783735839 628744076 /nfs/dbraw/zinc/74/40/76/628744076.db2.gz SWPOHOOAUJIKJC-QGZVFWFLSA-N 1 0 277.408 3.122 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)C2)cc1 ZINC000785765449 628886545 /nfs/dbraw/zinc/88/65/45/628886545.db2.gz HUZKQIUIUXDQKH-LBPRGKRZSA-N 1 0 272.314 3.137 20 10 CGCDRO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000785988323 628905624 /nfs/dbraw/zinc/90/56/24/628905624.db2.gz LDHGCYRJTZTLAG-GYSYKLTISA-N 1 0 283.799 3.027 20 10 CGCDRO Cc1cc(Cl)cc(C[N@H+]2CC[C@H](C)C[C@H]2[C@H](C)O)c1O ZINC000785986810 628905786 /nfs/dbraw/zinc/90/57/86/628905786.db2.gz DOZNERVFTXHMDS-WBIUFABUSA-N 1 0 297.826 3.335 20 10 CGCDRO CO[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1ccccc1O ZINC000786819914 628965090 /nfs/dbraw/zinc/96/50/90/628965090.db2.gz CKWJNYIJBYOUAQ-GUYCJALGSA-N 1 0 271.360 3.258 20 10 CGCDRO CO[C@H](CC[NH2+][C@@H](C)c1ccccc1O)C(F)(F)F ZINC000786952845 628972530 /nfs/dbraw/zinc/97/25/30/628972530.db2.gz IRCDLQSSQPQSDN-JOYOIKCWSA-N 1 0 277.286 3.010 20 10 CGCDRO CCOC(CC[NH2+][C@H](C)c1ccc(C)cc1O)OCC ZINC000786967665 628973362 /nfs/dbraw/zinc/97/33/62/628973362.db2.gz MWTRAXVLRVFXRA-CYBMUJFWSA-N 1 0 281.396 3.140 20 10 CGCDRO CCN1CCC[C@H]1C[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000788501672 629060071 /nfs/dbraw/zinc/06/00/71/629060071.db2.gz GTTNFGPWGBMVAK-CABCVRRESA-N 1 0 276.424 3.144 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(N(C)C)nc2)c(O)c1 ZINC000788521686 629062688 /nfs/dbraw/zinc/06/26/88/629062688.db2.gz WLCZYRDPUVUCQH-CQSZACIVSA-N 1 0 299.418 3.321 20 10 CGCDRO CC[C@H](C)[C@@](C)(O)C[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000788594628 629067603 /nfs/dbraw/zinc/06/76/03/629067603.db2.gz WYRBUUJLRCKOHU-VBQJREDUSA-N 1 0 279.424 3.457 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCOC(F)(F)F)c(O)c1C ZINC000788980233 629093348 /nfs/dbraw/zinc/09/33/48/629093348.db2.gz LQPREWFCGFCXKC-SNVBAGLBSA-N 1 0 277.286 3.196 20 10 CGCDRO CN(C)c1cc(F)c(C[N@H+](C)C(C)(C)C)cc1F ZINC000862400130 629363756 /nfs/dbraw/zinc/36/37/56/629363756.db2.gz NSAXQMRRBVABDT-UHFFFAOYSA-N 1 0 256.340 3.261 20 10 CGCDRO Cc1cccc(C[NH+]2C[C@H](C)C(F)(F)[C@@H](C)C2)c1O ZINC000862442327 629374266 /nfs/dbraw/zinc/37/42/66/629374266.db2.gz HRIKIMKGAFWUID-RYUDHWBXSA-N 1 0 269.335 3.424 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@H+]2CC(C)(C)OC[C@@H]2C)c1 ZINC000792728007 629377937 /nfs/dbraw/zinc/37/79/37/629377937.db2.gz XPEJDDBMIZPUGS-ZDUSSCGKSA-N 1 0 263.381 3.008 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@](O)(c3ccccc3)C2)c1 ZINC000862482136 629384936 /nfs/dbraw/zinc/38/49/36/629384936.db2.gz DQRCPDSOKRHBTM-LJQANCHMSA-N 1 0 297.398 3.184 20 10 CGCDRO C[N@H+](Cc1ccc2ccccc2c1O)CC1(C)COC1 ZINC000862479185 629385007 /nfs/dbraw/zinc/38/50/07/629385007.db2.gz GCNPXFZZHOVEDL-UHFFFAOYSA-N 1 0 271.360 3.014 20 10 CGCDRO Cc1cc(O)c(C[NH2+]Cc2cccnc2C)cc1Cl ZINC000862498886 629389757 /nfs/dbraw/zinc/38/97/57/629389757.db2.gz CIWCVEGSOYVNID-UHFFFAOYSA-N 1 0 276.767 3.347 20 10 CGCDRO CC(C)(C)[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000793369415 629449592 /nfs/dbraw/zinc/44/95/92/629449592.db2.gz FRGVDXUNNZUCCL-ZDUSSCGKSA-N 1 0 291.391 3.379 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](C)C2CCSCC2)c(O)c1 ZINC000793388065 629453249 /nfs/dbraw/zinc/45/32/49/629453249.db2.gz KGGGGZSMODPRII-NSHDSACASA-N 1 0 281.421 3.022 20 10 CGCDRO CC[C@@H](C)N(C)CC[NH2+][C@H](CC)c1ccc(C)cc1O ZINC000794801736 629578234 /nfs/dbraw/zinc/57/82/34/629578234.db2.gz BDHRTYLFPVXCQT-GDBMZVCRSA-N 1 0 278.440 3.472 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H](CO)CC2CCC2)cc1 ZINC000794832886 629584234 /nfs/dbraw/zinc/58/42/34/629584234.db2.gz IEZCHFZOGQOZIV-PBHICJAKSA-N 1 0 290.451 3.344 20 10 CGCDRO CC[C@@H](N[C@H]1CC[NH2+]C12CCC2)c1ccc(N(C)C)cc1 ZINC000863540995 629601738 /nfs/dbraw/zinc/60/17/38/629601738.db2.gz FNBXCKSOWWCXPD-SJORKVTESA-N 1 0 287.451 3.078 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CSC[C@@H]1C)c1ccc(C)cc1O ZINC000797065586 629881266 /nfs/dbraw/zinc/88/12/66/629881266.db2.gz MEKOJMRBHVFVFM-UBHSHLNASA-N 1 0 265.422 3.493 20 10 CGCDRO COc1ccc(C[NH2+]C[C@H](CO)CC2CCCC2)cc1C ZINC000798503016 630060612 /nfs/dbraw/zinc/06/06/12/630060612.db2.gz ASIYQCLFZUYCIU-QGZVFWFLSA-N 1 0 291.435 3.282 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccnn2C(C)C)c1 ZINC000799156051 630150099 /nfs/dbraw/zinc/15/00/99/630150099.db2.gz KYOGSQNXEISEMA-GFCCVEGCSA-N 1 0 289.379 3.029 20 10 CGCDRO COCC1(C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)CCC1 ZINC000800493097 630287825 /nfs/dbraw/zinc/28/78/25/630287825.db2.gz JFSKGMNLQNQXOZ-WCQYABFASA-N 1 0 293.382 3.486 20 10 CGCDRO CCCC[N@H+](CCC(=O)C1CC1)Cc1ccccc1O ZINC000801595905 630346704 /nfs/dbraw/zinc/34/67/04/630346704.db2.gz MLEVVHASRNMDJL-UHFFFAOYSA-N 1 0 275.392 3.364 20 10 CGCDRO C[C@@H]1C[C@@H](CC[NH2+]Cc2ccc(N(C)C)cc2)C[C@H](C)O1 ZINC000801732690 630354223 /nfs/dbraw/zinc/35/42/23/630354223.db2.gz TXSARECWVGXNSV-SCAQPMJSSA-N 1 0 290.451 3.436 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCN2CCCC2)c1O ZINC000808673089 630662834 /nfs/dbraw/zinc/66/28/34/630662834.db2.gz WXHMTAPEXXXSKJ-LBPRGKRZSA-N 1 0 282.815 3.100 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H]2CCCO2)c1O ZINC000808672485 630662938 /nfs/dbraw/zinc/66/29/38/630662938.db2.gz OZANUNPKVQJBMU-ZYHUDNBSSA-N 1 0 269.772 3.184 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCC[C@@H]2c2cccnc2)c1O ZINC000809728962 630793525 /nfs/dbraw/zinc/79/35/25/630793525.db2.gz NBKDRYGJRJVDEJ-MRXNPFEDSA-N 1 0 268.360 3.433 20 10 CGCDRO COc1cccc(C[NH2+][C@@H]2CC(C)(C)C[C@H]2C)c1O ZINC000809740048 630796205 /nfs/dbraw/zinc/79/62/05/630796205.db2.gz KLYLGOUWWRFKQC-DGCLKSJQSA-N 1 0 263.381 3.315 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@](C)(CO)C(C)C)cc1F ZINC000810172371 630849693 /nfs/dbraw/zinc/84/96/93/630849693.db2.gz GQJWYXYBBBGGEI-KRWDZBQOSA-N 1 0 296.430 3.169 20 10 CGCDRO CCCN(CC)C[C@@H](C)[NH2+]Cc1cc(OCC)ccc1O ZINC000810180382 630851248 /nfs/dbraw/zinc/85/12/48/630851248.db2.gz WIYRCMYGGDKXNN-CQSZACIVSA-N 1 0 294.439 3.001 20 10 CGCDRO Cc1cccc2c1OC[C@@H]([NH2+][C@H](C)c1ccccc1O)C2 ZINC000810259449 630861094 /nfs/dbraw/zinc/86/10/94/630861094.db2.gz JMIJJZZZZVYIFO-HIFRSBDPSA-N 1 0 283.371 3.355 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](CO)C1CCCC1)c1ccc(C)cc1O ZINC000810259988 630861571 /nfs/dbraw/zinc/86/15/71/630861571.db2.gz ZKIFZOLRMIIKDP-CVEARBPZSA-N 1 0 277.408 3.292 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000811512497 631080606 /nfs/dbraw/zinc/08/06/06/631080606.db2.gz MOFDMWNOYZHRPC-IBGZPJMESA-N 1 0 295.382 3.362 20 10 CGCDRO CC[N@H+](Cc1ccns1)Cc1ccc(N(C)C)cc1 ZINC000876522611 634851166 /nfs/dbraw/zinc/85/11/66/634851166.db2.gz XEZFVDMHSQFLMB-UHFFFAOYSA-N 1 0 275.421 3.231 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)CF)cc1F ZINC000814299412 631569567 /nfs/dbraw/zinc/56/95/67/631569567.db2.gz JQTPWTFNBRRWOD-NSHDSACASA-N 1 0 256.340 3.120 20 10 CGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@H]2CC3CCC2CC3)c1O ZINC000814652322 631618048 /nfs/dbraw/zinc/61/80/48/631618048.db2.gz WTCIQXBHIABHMD-PPUFBPAQSA-N 1 0 291.366 3.402 20 10 CGCDRO Cc1noc(C)c1C[N@@H+](C)Cc1ccc(N(C)C)c(C)c1 ZINC000815015589 631703451 /nfs/dbraw/zinc/70/34/51/631703451.db2.gz MWBSZKBVUUMIHX-UHFFFAOYSA-N 1 0 287.407 3.298 20 10 CGCDRO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000815017117 631703946 /nfs/dbraw/zinc/70/39/46/631703946.db2.gz GJZCJFVYBDHYGL-GDBMZVCRSA-N 1 0 276.424 3.060 20 10 CGCDRO Cc1cc(C[N@H+]2C[C@@H](C)OC(C)(C)C2)ccc1N(C)C ZINC000815023826 631705503 /nfs/dbraw/zinc/70/55/03/631705503.db2.gz JRLHZOZXXWHANA-CQSZACIVSA-N 1 0 276.424 3.060 20 10 CGCDRO CC[C@H](O)[C@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000815052372 631707464 /nfs/dbraw/zinc/70/74/64/631707464.db2.gz MLDVEROOKBYEHW-MSOLQXFVSA-N 1 0 290.451 3.186 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2C[C@@H](C)O)cc1 ZINC000815103328 631717947 /nfs/dbraw/zinc/71/79/47/631717947.db2.gz PCVFGQMABQTBGO-CRAIPNDOSA-N 1 0 290.451 3.268 20 10 CGCDRO CCN(C)c1ccc(C[N@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)cc1 ZINC000815102647 631718028 /nfs/dbraw/zinc/71/80/28/631718028.db2.gz LDLHZHOHEDMIPK-KSSFIOAISA-N 1 0 288.435 3.142 20 10 CGCDRO COc1ccc(F)c(C[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000815121621 631721007 /nfs/dbraw/zinc/72/10/07/631721007.db2.gz AACWULXIFFBRQP-UHFFFAOYSA-N 1 0 287.334 3.059 20 10 CGCDRO COc1ccc(O)c(C[NH2+]Cc2ccsc2C)c1 ZINC000815126271 631723908 /nfs/dbraw/zinc/72/39/08/631723908.db2.gz JWCFKWKWIYGFIG-UHFFFAOYSA-N 1 0 263.362 3.061 20 10 CGCDRO CC1(C)CCC[C@]1(O)C[NH2+]Cc1c(O)cccc1Cl ZINC000815146754 631730115 /nfs/dbraw/zinc/73/01/15/631730115.db2.gz KSLMFFVVJNAUGD-HNNXBMFYSA-N 1 0 283.799 3.076 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCCO[C@@H](C(C)C)C2)cc1 ZINC000815313985 631756498 /nfs/dbraw/zinc/75/64/98/631756498.db2.gz BPADRTAPWSRRMB-GOSISDBHSA-N 1 0 290.451 3.390 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](O)CC(C)C)c(O)c1 ZINC000815571975 631796636 /nfs/dbraw/zinc/79/66/36/631796636.db2.gz RFNQWUWGVKKZJS-ZIAGYGMSSA-N 1 0 265.397 3.067 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CCC[C@H](O)C2)c(O)c1 ZINC000815583194 631800672 /nfs/dbraw/zinc/80/06/72/631800672.db2.gz YYVYFTWEFGZQTN-ZNMIVQPWSA-N 1 0 277.408 3.211 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCc2cscn2)c(O)c1 ZINC000815588944 631802253 /nfs/dbraw/zinc/80/22/53/631802253.db2.gz DJIXEMDXKGQORZ-LBPRGKRZSA-N 1 0 276.405 3.359 20 10 CGCDRO CO[C@@H](C[NH2+][C@@H](C)c1c(C)cc(C)cc1O)C(F)(F)F ZINC000815605129 631804264 /nfs/dbraw/zinc/80/42/64/631804264.db2.gz LVEXXHOPIVUBRX-JQWIXIFHSA-N 1 0 291.313 3.237 20 10 CGCDRO [O-]c1cc(F)c(Cl)cc1C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000816484837 631989678 /nfs/dbraw/zinc/98/96/78/631989678.db2.gz QCOXLFYMWDUDBS-JTQLQIEISA-N 1 0 299.773 3.186 20 10 CGCDRO C[N@H+](Cc1ccc2ccccc2c1O)[C@@H]1CCN(C2CC2)C1 ZINC000816504274 631995949 /nfs/dbraw/zinc/99/59/49/631995949.db2.gz GOQKFPGABFTPNG-QGZVFWFLSA-N 1 0 296.414 3.214 20 10 CGCDRO C[N@@H+](Cc1ccc2ccccc2c1O)C[C@@H]1CCOC1 ZINC000816519048 632001893 /nfs/dbraw/zinc/00/18/93/632001893.db2.gz WNQJDUINJUTRLF-ZDUSSCGKSA-N 1 0 271.360 3.014 20 10 CGCDRO CCN(CC)[C@H](C)C[NH2+]Cc1ccc2ccccc2c1O ZINC000816532532 632006018 /nfs/dbraw/zinc/00/60/18/632006018.db2.gz LJULXHJTSGZWMP-CQSZACIVSA-N 1 0 286.419 3.365 20 10 CGCDRO Cn1cc(CCC[NH2+]Cc2ccc3ccccc3c2O)cn1 ZINC000816545480 632007766 /nfs/dbraw/zinc/00/77/66/632007766.db2.gz RZNLKIKIWXUPET-UHFFFAOYSA-N 1 0 295.386 3.001 20 10 CGCDRO C[C@]1(C[NH2+]Cc2ccc3ccccc3c2O)CCOC1 ZINC000816551120 632008338 /nfs/dbraw/zinc/00/83/38/632008338.db2.gz PNYXYXNASRUYBE-QGZVFWFLSA-N 1 0 271.360 3.062 20 10 CGCDRO CSCCCC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816552226 632009272 /nfs/dbraw/zinc/00/92/72/632009272.db2.gz FAZKYPBPEDDRKY-UHFFFAOYSA-N 1 0 277.792 3.418 20 10 CGCDRO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1ccc2ccccc2c1O ZINC000816557451 632011073 /nfs/dbraw/zinc/01/10/73/632011073.db2.gz QNNVUIPICHMEHF-ACJLOTCBSA-N 1 0 296.414 3.118 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc3ccccc3c2O)CCO1 ZINC000816559019 632011499 /nfs/dbraw/zinc/01/14/99/632011499.db2.gz VAHLJFDVQVMXGD-DOMZBBRYSA-N 1 0 271.360 3.203 20 10 CGCDRO Oc1c(C[NH2+]C[C@H]2CCC=CO2)ccc2ccccc21 ZINC000816584086 632017272 /nfs/dbraw/zinc/01/72/72/632017272.db2.gz BILVDWHRESYLDL-OAHLLOKOSA-N 1 0 269.344 3.328 20 10 CGCDRO Oc1c(C[NH2+]C[C@@H]2CCSC2)ccc2ccccc21 ZINC000816595094 632019730 /nfs/dbraw/zinc/01/97/30/632019730.db2.gz ZBICZTRUJQFTSR-LBPRGKRZSA-N 1 0 273.401 3.388 20 10 CGCDRO Cc1cc(O)c(C[N@H+](C)C[C@@H](O)Cc2ccccc2)cc1C ZINC000816624679 632025872 /nfs/dbraw/zinc/02/58/72/632025872.db2.gz CVANQAUGVNBEKI-SFHVURJKSA-N 1 0 299.414 3.044 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCOC[C@@H]2CC2CCC2)cc1C ZINC000816667292 632041713 /nfs/dbraw/zinc/04/17/13/632041713.db2.gz JAHIDXCKFDSSOT-KRWDZBQOSA-N 1 0 289.419 3.400 20 10 CGCDRO Cc1cc(C[NH2+]Cc2cc(C)c(C)cc2O)cc(C)n1 ZINC000817410521 632141023 /nfs/dbraw/zinc/14/10/23/632141023.db2.gz MQZCBELQCSZNEV-UHFFFAOYSA-N 1 0 270.376 3.311 20 10 CGCDRO CC[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(OC)c2O)CCO1 ZINC000817415280 632144680 /nfs/dbraw/zinc/14/46/80/632144680.db2.gz QDNJIQIWOBQPNB-STQMWFEESA-N 1 0 299.798 3.101 20 10 CGCDRO C[C@H]([NH2+]C[C@H](N)c1ccccc1)c1cc(Cl)ccc1O ZINC000817954785 632250018 /nfs/dbraw/zinc/25/00/18/632250018.db2.gz JJSICBXKKRHAHJ-NHYWBVRUSA-N 1 0 290.794 3.396 20 10 CGCDRO C[C@H]([NH2+]CCc1ccc(N)cc1)c1ccc(Cl)nc1 ZINC000817956001 632251076 /nfs/dbraw/zinc/25/10/76/632251076.db2.gz NFNCBPSMMGGDRK-NSHDSACASA-N 1 0 275.783 3.211 20 10 CGCDRO C[C@H]([NH2+]CCc1ccc(N)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000817956250 632251141 /nfs/dbraw/zinc/25/11/41/632251141.db2.gz UTVFSZAPWHBAHE-LBPRGKRZSA-N 1 0 285.347 3.070 20 10 CGCDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)c1nc2ccccc2n1C ZINC000817956004 632251322 /nfs/dbraw/zinc/25/13/22/632251322.db2.gz NHNUANZWVBWLAC-CYBMUJFWSA-N 1 0 294.402 3.049 20 10 CGCDRO CCc1cccnc1[C@H](C)[NH2+]CCc1ccc(N)cc1 ZINC000817957098 632252170 /nfs/dbraw/zinc/25/21/70/632252170.db2.gz IYADZYJHLNMKAX-ZDUSSCGKSA-N 1 0 269.392 3.120 20 10 CGCDRO CCO[C@H]1C[C@H]([NH2+]CCc2ccc(N)cc2)C12CCCC2 ZINC000817956824 632252200 /nfs/dbraw/zinc/25/22/00/632252200.db2.gz DOADEVIOYARFJJ-IRXDYDNUSA-N 1 0 288.435 3.139 20 10 CGCDRO CCCCO[C@H]1C[C@@H]([NH2+]CCc2ccc(N)cc2)C1(C)C ZINC000817956736 632252446 /nfs/dbraw/zinc/25/24/46/632252446.db2.gz BMHVMJJAQQVPQF-SJORKVTESA-N 1 0 290.451 3.385 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](CN)C1CCCCC1)c1ccccc1O ZINC000817958136 632253485 /nfs/dbraw/zinc/25/34/85/632253485.db2.gz IGTOJEPLUZOMKZ-CVEARBPZSA-N 1 0 276.424 3.341 20 10 CGCDRO COc1ccc([C@H](C)[NH2+]CCc2ccc(N)cc2)c(C)c1 ZINC000817958824 632255265 /nfs/dbraw/zinc/25/52/65/632255265.db2.gz ZAFLUQWMPJETDN-AWEZNQCLSA-N 1 0 284.403 3.479 20 10 CGCDRO CC[NH2+][C@H](C)CN[C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000817971275 632264648 /nfs/dbraw/zinc/26/46/48/632264648.db2.gz BTGRWZFETMNGFH-CVEARBPZSA-N 1 0 289.467 3.326 20 10 CGCDRO CC[NH2+][C@H](C)CN[C@@H](C)c1cc(Cl)cc(C)c1O ZINC000817972936 632266719 /nfs/dbraw/zinc/26/67/19/632266719.db2.gz QGJSHGZQOAOVBK-MNOVXSKESA-N 1 0 270.804 3.003 20 10 CGCDRO CC[C@@H]([NH3+])CN[C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000817978809 632269962 /nfs/dbraw/zinc/26/99/62/632269962.db2.gz DZJIFWBDWCNQBO-GOEBONIOSA-N 1 0 275.440 3.065 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+][C@@H](CN)C2CCCC2)c2c1c(F)ccc2O ZINC000817982697 632273215 /nfs/dbraw/zinc/27/32/15/632273215.db2.gz VNDBBNLPMXUIKA-HONMWMINSA-N 1 0 292.398 3.187 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C(C)(C)[C@H]2CCCCO2)cc1C ZINC000865746405 632875140 /nfs/dbraw/zinc/87/51/40/632875140.db2.gz MXSQOPQSBLSNMT-MRXNPFEDSA-N 1 0 277.408 3.446 20 10 CGCDRO COc1ccc(C[NH2+]C[C@H]2CCC23CCOCC3)cc1C ZINC000865778027 632887731 /nfs/dbraw/zinc/88/77/31/632887731.db2.gz FGONTSWJIVONTE-MRXNPFEDSA-N 1 0 289.419 3.300 20 10 CGCDRO Oc1ccccc1C[NH2+]CCSCCC(F)(F)F ZINC000865788186 632891131 /nfs/dbraw/zinc/89/11/31/632891131.db2.gz GXAZKMIWJGSLCO-UHFFFAOYSA-N 1 0 279.327 3.167 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CC[C@H](O)C2CCCC2)cc1C ZINC000865876094 632935946 /nfs/dbraw/zinc/93/59/46/632935946.db2.gz TZGHCMAUKSSLOU-INIZCTEOSA-N 1 0 277.408 3.040 20 10 CGCDRO CS[C@@H]1CC[C@H]1[NH2+][C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000822489908 632944109 /nfs/dbraw/zinc/94/41/09/632944109.db2.gz MLWLKGDZOWSRCR-IAOVAPTHSA-N 1 0 292.492 3.476 20 10 CGCDRO C[N@H+](CC[C@@H]1CC1(Cl)Cl)Cc1ccccc1O ZINC000822740107 633014338 /nfs/dbraw/zinc/01/43/38/633014338.db2.gz MDOUZGBNPNXMHW-LLVKDONJSA-N 1 0 274.191 3.408 20 10 CGCDRO C[C@H]([NH2+][C@H]1C[C@@H](CO)C1)c1ccc(N2CCCCC2)cc1 ZINC000866414734 633127026 /nfs/dbraw/zinc/12/70/26/633127026.db2.gz KFCAGXPUSSJXTO-YQQAZPJKSA-N 1 0 288.435 3.098 20 10 CGCDRO CS[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000866486577 633155806 /nfs/dbraw/zinc/15/58/06/633155806.db2.gz LCDBNMNAHDMMHO-WHOFXGATSA-N 1 0 264.438 3.297 20 10 CGCDRO CC[C@H](C[C@H](C)O)[NH2+][C@H](C)c1ccc(N(C)CC)cc1 ZINC000866634261 633223086 /nfs/dbraw/zinc/22/30/86/633223086.db2.gz DEGFDESQVQKSHJ-SQWLQELKSA-N 1 0 278.440 3.343 20 10 CGCDRO CC[C@H](C[C@@H](C)O)[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000866634530 633223261 /nfs/dbraw/zinc/22/32/61/633223261.db2.gz SBZNMKJEJJQOLO-HZSPNIEDSA-N 1 0 265.397 3.209 20 10 CGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@H]1CSC[C@@H]1C ZINC000824291165 633224732 /nfs/dbraw/zinc/22/47/32/633224732.db2.gz BDRWCUQHQAAZSY-WFASDCNBSA-N 1 0 264.438 3.113 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2CCCC23CCC3)c(O)c1 ZINC000824320731 633229653 /nfs/dbraw/zinc/22/96/53/633229653.db2.gz JSDPIMPJAYRREK-HNNXBMFYSA-N 1 0 261.365 3.213 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@](C)(F)C2)cc1C ZINC000824471915 633247872 /nfs/dbraw/zinc/24/78/72/633247872.db2.gz IOJZVDIOBIAJEI-OAHLLOKOSA-N 1 0 251.345 3.333 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)CC(C)(C)O)cc1F ZINC000824695732 633275006 /nfs/dbraw/zinc/27/50/06/633275006.db2.gz BMXHTIQFGLYIEQ-CYBMUJFWSA-N 1 0 296.430 3.311 20 10 CGCDRO Cc1cc(O)c(C[N@H+](C)C[C@@H]2CCCOC2)cc1Cl ZINC000824719690 633279076 /nfs/dbraw/zinc/27/90/76/633279076.db2.gz GODXJFSASDKGRL-LBPRGKRZSA-N 1 0 283.799 3.212 20 10 CGCDRO CC(C)[C@@H](CO)[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)C(C)C ZINC000824844925 633300548 /nfs/dbraw/zinc/30/05/48/633300548.db2.gz FUGRRGKYPGQZGJ-AEFFLSMTSA-N 1 0 291.435 3.000 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CCSC[C@H]2C2CC2)c1 ZINC000824914505 633304589 /nfs/dbraw/zinc/30/45/89/633304589.db2.gz SRGKVLLPSZAWPL-HNNXBMFYSA-N 1 0 293.432 3.118 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C23CCC(CC2)CC3)c1 ZINC000824935576 633308226 /nfs/dbraw/zinc/30/82/26/633308226.db2.gz JAQCJHWXAMVULG-UHFFFAOYSA-N 1 0 261.365 3.213 20 10 CGCDRO CCOc1ccc(C[N@H+](C)[C@H](CO)CC(C)(C)C)c(O)c1 ZINC000825040322 633320911 /nfs/dbraw/zinc/32/09/11/633320911.db2.gz GMFFBLKFRGBJIK-AWEZNQCLSA-N 1 0 295.423 3.020 20 10 CGCDRO CO[C@H]([C@H](C)[NH2+]Cc1cc(Cl)cc(C)c1O)C1CC1 ZINC000825098404 633328440 /nfs/dbraw/zinc/32/84/40/633328440.db2.gz IGAKVPHWCHLEHD-ZUZCIYMTSA-N 1 0 283.799 3.257 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)cc1 ZINC000825125025 633330785 /nfs/dbraw/zinc/33/07/85/633330785.db2.gz CVENBOJDXOQHJU-SJLPKXTDSA-N 1 0 288.435 3.190 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCc2nccs2)cc1Cl ZINC000825173438 633333613 /nfs/dbraw/zinc/33/36/13/633333613.db2.gz LZOHIJFEVKINGZ-UHFFFAOYSA-N 1 0 282.796 3.143 20 10 CGCDRO COCC1(C[NH2+]Cc2cc(Cl)ccc2O)CCCC1 ZINC000825245874 633338947 /nfs/dbraw/zinc/33/89/47/633338947.db2.gz SWWMNAKORXSXGX-UHFFFAOYSA-N 1 0 283.799 3.342 20 10 CGCDRO CCO[C@@H]1CCC[C@H]1[NH2+][C@H](CC)c1ccccc1O ZINC000825290102 633342630 /nfs/dbraw/zinc/34/26/30/633342630.db2.gz OOOFFWZATBRREC-IIAWOOMASA-N 1 0 263.381 3.391 20 10 CGCDRO CC[C@H](COC)[NH2+]Cc1ccc2ccccc2c1O ZINC000825297776 633343467 /nfs/dbraw/zinc/34/34/67/633343467.db2.gz MZTXQYPRAQFWPV-CQSZACIVSA-N 1 0 259.349 3.060 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H](C)Cc2ccncc2)cc1Cl ZINC000825327038 633346072 /nfs/dbraw/zinc/34/60/72/633346072.db2.gz UPQNIAVCLKYZLX-LBPRGKRZSA-N 1 0 290.794 3.470 20 10 CGCDRO Cc1cc(O)c(C[N@H+](C)CCc2ccncc2)cc1Cl ZINC000825502616 633358150 /nfs/dbraw/zinc/35/81/50/633358150.db2.gz ZKMWEZNWADORPR-UHFFFAOYSA-N 1 0 290.794 3.424 20 10 CGCDRO CCC(O)(CC)CC[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825666090 633371822 /nfs/dbraw/zinc/37/18/22/633371822.db2.gz GWOPXEAJAVYINL-UHFFFAOYSA-N 1 0 285.815 3.385 20 10 CGCDRO CCOCC(C)(C)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000826011190 633396724 /nfs/dbraw/zinc/39/67/24/633396724.db2.gz AEBXIDLEDFVTJJ-UHFFFAOYSA-N 1 0 271.788 3.259 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCOC2(C)C)cc1Cl ZINC000826043902 633400442 /nfs/dbraw/zinc/40/04/42/633400442.db2.gz VFLLVABQRMVDIL-ZDUSSCGKSA-N 1 0 269.772 3.011 20 10 CGCDRO Cc1cccnc1CC[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000826062188 633401900 /nfs/dbraw/zinc/40/19/00/633401900.db2.gz MYNUHCINJVUVCD-UHFFFAOYSA-N 1 0 290.794 3.390 20 10 CGCDRO CO[C@H]1CC[N@H+](Cc2cc(Cl)c(C)cc2O)C[C@H]1C ZINC000826063016 633402028 /nfs/dbraw/zinc/40/20/28/633402028.db2.gz ZTPJZCJQADSTEV-ABAIWWIYSA-N 1 0 283.799 3.211 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1CCC[C@H](C)O1 ZINC000827251789 633475474 /nfs/dbraw/zinc/47/54/74/633475474.db2.gz NNEVJTCREZEQHE-YOEHRIQHSA-N 1 0 276.424 3.108 20 10 CGCDRO COc1ccc2c(c1)CC[N@@H+](Cc1cccc(C)c1O)C2 ZINC000827296561 633479119 /nfs/dbraw/zinc/47/91/19/633479119.db2.gz DHXPTZNYHSCGMN-UHFFFAOYSA-N 1 0 283.371 3.268 20 10 CGCDRO Oc1ccc2c(c1)[C@H]([NH2+]Cc1cc(F)ccc1O)CC2 ZINC000827346137 633483872 /nfs/dbraw/zinc/48/38/72/633483872.db2.gz FSORIGZCXNONPC-OAHLLOKOSA-N 1 0 273.307 3.014 20 10 CGCDRO Cc1cccc(C[NH2+][C@H]2CCc3ccc(O)cc32)c1O ZINC000827347039 633484064 /nfs/dbraw/zinc/48/40/64/633484064.db2.gz MSCFZPDPZQTVGT-INIZCTEOSA-N 1 0 269.344 3.183 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000827377133 633487304 /nfs/dbraw/zinc/48/73/04/633487304.db2.gz QIIRNKIGZBRFTL-DOTOQJQBSA-N 1 0 275.392 3.173 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2CC[C@H](CO)CC2)cc1 ZINC000121363730 633498069 /nfs/dbraw/zinc/49/80/69/633498069.db2.gz VIKNDGFZHFKUPC-INMHGKMJSA-N 1 0 290.451 3.344 20 10 CGCDRO Oc1c(C[N@@H+]2CC[C@@H]3COC[C@H]3C2)ccc2ccccc21 ZINC000827601735 633501893 /nfs/dbraw/zinc/50/18/93/633501893.db2.gz HSACGHRXAWOCFF-HZPDHXFCSA-N 1 0 283.371 3.014 20 10 CGCDRO CCc1cccc(C[NH+]2CCC(c3ccon3)CC2)c1O ZINC000827627324 633504039 /nfs/dbraw/zinc/50/40/39/633504039.db2.gz QBHHJZSXALXGNN-UHFFFAOYSA-N 1 0 286.375 3.322 20 10 CGCDRO Cc1cccc(C[NH+]2CCC(c3ccon3)CC2)c1O ZINC000827629912 633505316 /nfs/dbraw/zinc/50/53/16/633505316.db2.gz QZJLDOWCQYXCQU-UHFFFAOYSA-N 1 0 272.348 3.068 20 10 CGCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H]1CC1(C)C ZINC000827941480 633538369 /nfs/dbraw/zinc/53/83/69/633538369.db2.gz FMRROPFFESEDBT-MRXNPFEDSA-N 1 0 288.435 3.001 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCC[C@@H]2CCOC2=O)c(O)c1 ZINC000872114213 634039168 /nfs/dbraw/zinc/03/91/68/634039168.db2.gz UTNQSCVIAINOOW-UONOGXRCSA-N 1 0 291.391 3.003 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](C)c1nccnc1C)c1ccccc1O ZINC000872133820 634055941 /nfs/dbraw/zinc/05/59/41/634055941.db2.gz OYAFWBCHGGWEAJ-GXTWGEPZSA-N 1 0 271.364 3.293 20 10 CGCDRO CO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)cc2C)C12CCC2 ZINC000834590158 634192633 /nfs/dbraw/zinc/19/26/33/634192633.db2.gz RSVPYBBAOXWWMF-IAGOWNOFSA-N 1 0 288.435 3.108 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@@H]2CCc3n[nH]cc3C2)cc1C ZINC000873055086 634238162 /nfs/dbraw/zinc/23/81/62/634238162.db2.gz DFJODMOSYKQCMZ-MRXNPFEDSA-N 1 0 299.418 3.154 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]CCc1ccc3c[nH]nc3c1)CC2 ZINC000834793980 634243989 /nfs/dbraw/zinc/24/39/89/634243989.db2.gz LHNCQTQGLLEJDA-HNNXBMFYSA-N 1 0 293.370 3.088 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCn3ccnc32)c2c1c(F)ccc2O ZINC000834832874 634251632 /nfs/dbraw/zinc/25/16/32/634251632.db2.gz SIUXNGUGIYKSBU-JLLWLGSASA-N 1 0 287.338 3.011 20 10 CGCDRO C[C@@H]([NH2+]CC1=CCOCC1)c1cc2c(cc1O)CCCC2 ZINC000834859601 634258057 /nfs/dbraw/zinc/25/80/57/634258057.db2.gz FPGRMCUFMFDTAT-CYBMUJFWSA-N 1 0 287.403 3.268 20 10 CGCDRO COCC(C)(C)CC[NH2+]Cc1cc(C)c(C)cc1O ZINC000873152916 634259707 /nfs/dbraw/zinc/25/97/07/634259707.db2.gz MCVNIJFIGIDYBZ-UHFFFAOYSA-N 1 0 265.397 3.161 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2C[C@H]3CCC[C@H]3O2)cc1C ZINC000873156523 634264004 /nfs/dbraw/zinc/26/40/04/634264004.db2.gz KTEQOBWIEVASGS-UKPHBRMFSA-N 1 0 275.392 3.056 20 10 CGCDRO CO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000834886799 634268011 /nfs/dbraw/zinc/26/80/11/634268011.db2.gz NAZMGIFRJSPHDO-BJOOFOGMSA-N 1 0 289.419 3.489 20 10 CGCDRO CCOc1cccc(C[NH2+]CC2(OC(C)C)CCC2)c1O ZINC000873166686 634268226 /nfs/dbraw/zinc/26/82/26/634268226.db2.gz JBPJDVKEXVWYOM-UHFFFAOYSA-N 1 0 293.407 3.228 20 10 CGCDRO C[C@H]([NH2+][C@@H]1C[C@@H](C)n2ccnc21)c1cc(F)ccc1O ZINC000834893849 634271347 /nfs/dbraw/zinc/27/13/47/634271347.db2.gz HITZZAKFQWABOG-GBIKHYSHSA-N 1 0 275.327 3.084 20 10 CGCDRO CCn1ccnc1[C@@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000834894800 634272335 /nfs/dbraw/zinc/27/23/35/634272335.db2.gz MGRQFQFJBYZTRZ-VXGBXAGGSA-N 1 0 259.353 3.020 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCO[C@H](c2ccncc2)C1)c1ccccc1O ZINC000834894904 634272548 /nfs/dbraw/zinc/27/25/48/634272548.db2.gz VXGSFEFFSGJHLT-JOQOYGCGSA-N 1 0 298.386 3.358 20 10 CGCDRO CCn1ccnc1[C@H](C)[NH2+][C@H](C)c1ccc(C)cc1O ZINC000834896107 634273489 /nfs/dbraw/zinc/27/34/89/634273489.db2.gz UQCLXWGABYYASF-OLZOCXBDSA-N 1 0 273.380 3.329 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[C@H]2O)c2c1c(F)ccc2O ZINC000834898984 634275791 /nfs/dbraw/zinc/27/57/91/634275791.db2.gz DIEBDEQTNMTUSZ-ZMJPVWNMSA-N 1 0 293.382 3.220 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ncccc1OC)c1ccc(N(C)C)cc1 ZINC000834904989 634280892 /nfs/dbraw/zinc/28/08/92/634280892.db2.gz DNBRQRRXCXDXAT-MRXNPFEDSA-N 1 0 299.418 3.397 20 10 CGCDRO CC[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1ccc(F)cc1[O-] ZINC000834909568 634284209 /nfs/dbraw/zinc/28/42/09/634284209.db2.gz SKLTZUCMLHDFPP-MRXNPFEDSA-N 1 0 294.414 3.446 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]Cc2cc(N)cc(F)c2)c(O)c1 ZINC000873288504 634320943 /nfs/dbraw/zinc/32/09/43/634320943.db2.gz HGXUBOVDRRPXOB-NSHDSACASA-N 1 0 274.339 3.273 20 10 CGCDRO COCCCCC[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835038112 634328404 /nfs/dbraw/zinc/32/84/04/634328404.db2.gz USKNDHIRABBCCG-BQYQJAHWSA-N 1 0 276.424 3.172 20 10 CGCDRO Cc1n[nH]cc1CCC[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835036904 634328457 /nfs/dbraw/zinc/32/84/57/634328457.db2.gz ROOSELDJXANNPO-GQCTYLIASA-N 1 0 298.434 3.020 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@H]2CC=CCC2)cc1 ZINC000835040378 634329176 /nfs/dbraw/zinc/32/91/76/634329176.db2.gz PZVNDMOPUMCZTM-WLMCBFPDSA-N 1 0 256.393 3.464 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@H](CO)CC(C)(C)C)cc1 ZINC000835041944 634330804 /nfs/dbraw/zinc/33/08/04/634330804.db2.gz PLXJPTFEUFUBCI-WLMCBFPDSA-N 1 0 290.451 3.153 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+]CC[C@H]2CCCCO2)cc1 ZINC000835045748 634332682 /nfs/dbraw/zinc/33/26/82/634332682.db2.gz YIDOOQONMXGFQK-OOFWQKGWSA-N 1 0 288.435 3.315 20 10 CGCDRO CCn1ccnc1[C@@H](C)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835055037 634338867 /nfs/dbraw/zinc/33/88/67/634338867.db2.gz PDWLRZDQDWPBIN-IDTUSYRASA-N 1 0 298.434 3.333 20 10 CGCDRO CCn1ccnc1[C@H](C)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835055040 634338885 /nfs/dbraw/zinc/33/88/85/634338885.db2.gz PDWLRZDQDWPBIN-XHPSBEMXSA-N 1 0 298.434 3.333 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCOC(C)(C)C2)cc1C ZINC000835060240 634341800 /nfs/dbraw/zinc/34/18/00/634341800.db2.gz PPEMKBJIEXYCOP-CQSZACIVSA-N 1 0 277.408 3.304 20 10 CGCDRO Cc1ccc(C[NH+]2CCC(OC(C)C)CC2)c(O)c1 ZINC000876631222 634871099 /nfs/dbraw/zinc/87/10/99/634871099.db2.gz QMNPGMPTXLVNHM-UHFFFAOYSA-N 1 0 263.381 3.090 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000876762808 634894826 /nfs/dbraw/zinc/89/48/26/634894826.db2.gz HBJSVEGWASYRIL-KRWDZBQOSA-N 1 0 275.392 3.093 20 10 CGCDRO Cc1cnc(CC[N@@H+](C)Cc2c(C)cccc2O)s1 ZINC000876779708 634897476 /nfs/dbraw/zinc/89/74/76/634897476.db2.gz KVTHQPNNATVLEM-UHFFFAOYSA-N 1 0 276.405 3.140 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)[C@@H]1CC1(F)F ZINC000876986658 634943094 /nfs/dbraw/zinc/94/30/94/634943094.db2.gz IAXOIUBIPRGWRW-RISCZKNCSA-N 1 0 280.362 3.202 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)c(O)c1 ZINC000876989484 634945230 /nfs/dbraw/zinc/94/52/30/634945230.db2.gz VGHYBWTUSMTYSE-UHFFFAOYSA-N 1 0 288.366 3.196 20 10 CGCDRO Cc1ccc(C[NH2+]C[C@H]2CCOc3ccccc32)c(O)c1 ZINC000877024498 634953635 /nfs/dbraw/zinc/95/36/35/634953635.db2.gz FXDQCYZWQBUQLS-CQSZACIVSA-N 1 0 283.371 3.357 20 10 CGCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2c(C)cccc2O)C12CCC2 ZINC000877043629 634961193 /nfs/dbraw/zinc/96/11/93/634961193.db2.gz MACSCDQXCNFCKW-JKSUJKDBSA-N 1 0 275.392 3.138 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]CCCSc1nccs1 ZINC000877061558 634967786 /nfs/dbraw/zinc/96/77/86/634967786.db2.gz LFEUEDNSBILZEU-UHFFFAOYSA-N 1 0 294.445 3.429 20 10 CGCDRO Cc1nc(CC[NH2+]Cc2ccc(C)cc2O)sc1C ZINC000877108432 634986285 /nfs/dbraw/zinc/98/62/85/634986285.db2.gz OEPFYRPKQHUXFD-UHFFFAOYSA-N 1 0 276.405 3.106 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H]2CCO[C@H](CC(C)C)C2)c(O)c1 ZINC000877140939 635000345 /nfs/dbraw/zinc/00/03/45/635000345.db2.gz BTRKBCJDBBCEMZ-HZPDHXFCSA-N 1 0 277.408 3.384 20 10 CGCDRO COCC[C@@H]([NH2+]Cc1ccc(C)cc1O)c1ccco1 ZINC000877183487 635009152 /nfs/dbraw/zinc/00/91/52/635009152.db2.gz FLJCBGVNMTZONZ-CQSZACIVSA-N 1 0 275.348 3.161 20 10 CGCDRO CCn1c(C[NH2+]Cc2ccc(C)cc2O)nc2ccccc21 ZINC000877342324 635029034 /nfs/dbraw/zinc/02/90/34/635029034.db2.gz ALYCGBLIWHDNJA-UHFFFAOYSA-N 1 0 295.386 3.360 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)[C@@H]1C[C@@H]1C ZINC000840718571 635041279 /nfs/dbraw/zinc/04/12/79/635041279.db2.gz ZFQJTCMXYAONQV-OIPACUDHSA-N 1 0 288.435 3.218 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2C[C@@H](OC(C)C)C2)c1 ZINC000840764780 635048965 /nfs/dbraw/zinc/04/89/65/635048965.db2.gz SMWIVDXFKXADIO-MCIONIFRSA-N 1 0 263.381 3.307 20 10 CGCDRO CCCN(C[C@@](C)(OC)C1CC1)c1ccc(C[NH3+])cc1 ZINC000877477727 635052735 /nfs/dbraw/zinc/05/27/35/635052735.db2.gz GFBCAFLASJXLKL-QGZVFWFLSA-N 1 0 276.424 3.177 20 10 CGCDRO Cc1cccc(O)c1C[N@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000877486345 635055955 /nfs/dbraw/zinc/05/59/55/635055955.db2.gz ICVPISUWLUNPNC-ZYHUDNBSSA-N 1 0 273.298 3.473 20 10 CGCDRO COCC[C@H](C)C[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000840835735 635061011 /nfs/dbraw/zinc/06/10/11/635061011.db2.gz PDZOFLICKUYBID-DMDPSCGWSA-N 1 0 281.371 3.342 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]CC1(c2ccccn2)CCC1 ZINC000877519001 635068800 /nfs/dbraw/zinc/06/88/00/635068800.db2.gz OEVWQFSEQSXBJN-UHFFFAOYSA-N 1 0 282.387 3.307 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@@H](C)O[C@@H]2C)c(O)c1C ZINC000840871899 635070200 /nfs/dbraw/zinc/07/02/00/635070200.db2.gz HQISXMDMGSRLHC-BEAPCOKYSA-N 1 0 277.408 3.473 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](CC)c1ccccc1O)[C@@H](O)C(C)C ZINC000840882550 635073447 /nfs/dbraw/zinc/07/34/47/635073447.db2.gz PGAWLRFAHKCUCM-LZWOXQAQSA-N 1 0 265.397 3.228 20 10 CGCDRO Cc1ccc(C[N@H+](Cc2ccccn2)C2CC2)c(O)c1 ZINC000877530515 635075304 /nfs/dbraw/zinc/07/53/04/635075304.db2.gz HOUSCURBPRRRJX-UHFFFAOYSA-N 1 0 268.360 3.260 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H]1CCOC[C@H]1C ZINC000840893843 635077406 /nfs/dbraw/zinc/07/74/06/635077406.db2.gz MVKICGSENQEXJD-VKJFTORMSA-N 1 0 290.451 3.007 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@@H](C)c1cnccn1 ZINC000840895284 635078122 /nfs/dbraw/zinc/07/81/22/635078122.db2.gz WVVOWTJOVPVZEY-CABCVRRESA-N 1 0 298.434 3.133 20 10 CGCDRO CCOC1(C)CC[NH+](Cc2c(C)cccc2O)CC1 ZINC000877543767 635082050 /nfs/dbraw/zinc/08/20/50/635082050.db2.gz LKDCBNWKLANDMV-UHFFFAOYSA-N 1 0 263.381 3.092 20 10 CGCDRO Cc1occc1CN(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000840939352 635086614 /nfs/dbraw/zinc/08/66/14/635086614.db2.gz LQRZGVYHGILOBR-UHFFFAOYSA-N 1 0 288.391 3.165 20 10 CGCDRO Cc1cccc(O)c1C[NH+]1CCC2(CCC(O)CC2)CC1 ZINC000877557075 635089877 /nfs/dbraw/zinc/08/98/77/635089877.db2.gz NFCBACBKJBQZIR-UHFFFAOYSA-N 1 0 289.419 3.218 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CC[C@H](O)c1ccccc1 ZINC000840949036 635091356 /nfs/dbraw/zinc/09/13/56/635091356.db2.gz OPXIQZGHQRXTTI-IBGZPJMESA-N 1 0 298.430 3.274 20 10 CGCDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCO[C@H](c2ccncc2)C1 ZINC000877569348 635096004 /nfs/dbraw/zinc/09/60/04/635096004.db2.gz NMZOKJNXUKKSQR-QAPCUYQASA-N 1 0 298.386 3.106 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]C[C@@H]1CCC=CO1 ZINC000840975100 635098437 /nfs/dbraw/zinc/09/84/37/635098437.db2.gz DCSWIXBLUKIICC-YJBOKZPZSA-N 1 0 288.435 3.274 20 10 CGCDRO Cc1ccc(C[N@@H+](C)C[C@@](C)(O)c2ccccc2)c(O)c1 ZINC000877598293 635106570 /nfs/dbraw/zinc/10/65/70/635106570.db2.gz CVHRYKCTWSYLOH-GOSISDBHSA-N 1 0 285.387 3.040 20 10 CGCDRO CC(C)Oc1ccc(N(C)C[C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000841024618 635108036 /nfs/dbraw/zinc/10/80/36/635108036.db2.gz WILQNAOVWVBRJS-GJZGRUSLSA-N 1 0 276.424 3.298 20 10 CGCDRO Cc1ccc(C[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)c(C)c1 ZINC000841040787 635112266 /nfs/dbraw/zinc/11/22/66/635112266.db2.gz TUCOGIHNRKWMFR-LJQANCHMSA-N 1 0 297.446 3.159 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]CC[C@]1(C)C[C@]1(F)Cl ZINC000877611488 635112305 /nfs/dbraw/zinc/11/23/05/635112305.db2.gz SPDDITPBGQANPO-ZIAGYGMSSA-N 1 0 271.763 3.495 20 10 CGCDRO Cc1ccc(C[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)cc1C ZINC000841040496 635112508 /nfs/dbraw/zinc/11/25/08/635112508.db2.gz NNZVUYSXQBCLCN-LJQANCHMSA-N 1 0 297.446 3.159 20 10 CGCDRO Cc1ccc(C[NH+]2CCC3(CC3(F)F)CC2)c(O)c1 ZINC000877612301 635112527 /nfs/dbraw/zinc/11/25/27/635112527.db2.gz GYDASTSDYVFLDI-UHFFFAOYSA-N 1 0 267.319 3.322 20 10 CGCDRO CCCC[C@H](CC)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000841045830 635114186 /nfs/dbraw/zinc/11/41/86/635114186.db2.gz QYZMDABGMYFYGF-DOTOQJQBSA-N 1 0 277.456 3.311 20 10 CGCDRO CN(C)c1ccc([C@H](N)C[NH2+]C2CCCCCCC2)cc1 ZINC000841046188 635114302 /nfs/dbraw/zinc/11/43/02/635114302.db2.gz XNCPPPNDEYMZFE-GOSISDBHSA-N 1 0 289.467 3.455 20 10 CGCDRO Oc1ccccc1C[NH2+]Cc1cccc2c1CCCN2 ZINC000841084337 635119895 /nfs/dbraw/zinc/11/98/95/635119895.db2.gz XWLLELIFCBQBQA-UHFFFAOYSA-N 1 0 268.360 3.040 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1Cc2cnn(C)c2CC(C)(C)C1 ZINC000877644558 635129638 /nfs/dbraw/zinc/12/96/38/635129638.db2.gz UADGTDGATRWRQS-UHFFFAOYSA-N 1 0 299.418 3.019 20 10 CGCDRO CCc1cccc(C[N@@H+]2CC[C@H]3CSC[C@H]3C2)c1O ZINC000877740508 635176147 /nfs/dbraw/zinc/17/61/47/635176147.db2.gz VUHCHMPTISFJQB-LSDHHAIUSA-N 1 0 277.433 3.140 20 10 CGCDRO COC1(C[C@H](C)[NH2+][C@H](C)c2ccccc2O)CCC1 ZINC000877755879 635184652 /nfs/dbraw/zinc/18/46/52/635184652.db2.gz PZSYRDRYOOWTOV-QWHCGFSZSA-N 1 0 263.381 3.391 20 10 CGCDRO CCOc1cc(C[NH2+][C@@H](C)c2ccccc2O)ccc1O ZINC000877758348 635187654 /nfs/dbraw/zinc/18/76/54/635187654.db2.gz UVZFOPNLDMPOFM-LBPRGKRZSA-N 1 0 287.359 3.347 20 10 CGCDRO C[C@@H]1[C@H](C)C[N@H+](Cc2c(O)ccc3ccncc32)[C@H]1C ZINC000841690684 635212675 /nfs/dbraw/zinc/21/26/75/635212675.db2.gz MWIGNFRQOIGYGI-UPJWGTAASA-N 1 0 270.376 3.417 20 10 CGCDRO C[C@@H]([NH2+]Cc1nccs1)c1ccc(Cl)cc1O ZINC000841745232 635221661 /nfs/dbraw/zinc/22/16/61/635221661.db2.gz OJMUJGXTQZPYCI-MRVPVSSYSA-N 1 0 268.769 3.353 20 10 CGCDRO CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])C1 ZINC000841744613 635222656 /nfs/dbraw/zinc/22/26/56/635222656.db2.gz JGMKXRJWXRLLHE-QWHCGFSZSA-N 1 0 296.842 3.428 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCOC1(C)C)c1ccc(Cl)cc1O ZINC000841755568 635229884 /nfs/dbraw/zinc/22/98/84/635229884.db2.gz JIDPILAEEBZZIY-NOZJJQNGSA-N 1 0 269.772 3.264 20 10 CGCDRO C[C@H]([NH2+][C@H]1C[C@@H](C)N(C2CC2)C1)c1ccc(Cl)cc1O ZINC000841758498 635230871 /nfs/dbraw/zinc/23/08/71/635230871.db2.gz MFQXPUCICQILNR-MDZLAQPJSA-N 1 0 294.826 3.321 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)c1ccc(Cl)cc1O)[C@H](O)C(F)F ZINC000841758973 635231411 /nfs/dbraw/zinc/23/14/11/635231411.db2.gz WIYIDZPNDJRIFV-VHRDEZTHSA-N 1 0 293.741 3.101 20 10 CGCDRO OC[C@@H](CC1CCCCC1)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000841761345 635232712 /nfs/dbraw/zinc/23/27/12/635232712.db2.gz IRQQYOKXGJDRAL-CVEARBPZSA-N 1 0 289.419 3.300 20 10 CGCDRO Oc1ccccc1C[N@H+](CCc1cnccn1)C1CCCC1 ZINC000878102604 635357403 /nfs/dbraw/zinc/35/74/03/635357403.db2.gz AMNDUIKJSJEVBF-UHFFFAOYSA-N 1 0 297.402 3.170 20 10 CGCDRO Oc1ccc2ccccc2c1C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000842624852 635421574 /nfs/dbraw/zinc/42/15/74/635421574.db2.gz KRXMMLQJTRRPOI-KDOFPFPSSA-N 1 0 283.371 3.156 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1CC2(CCC2)CO1)c1ccccc1O ZINC000878354279 635473397 /nfs/dbraw/zinc/47/33/97/635473397.db2.gz HVUIKJBWNHGMFO-QWHCGFSZSA-N 1 0 261.365 3.002 20 10 CGCDRO COc1ccccc1CN1CCCc2cc(C[NH3+])ccc21 ZINC000843057113 635553407 /nfs/dbraw/zinc/55/34/07/635553407.db2.gz BGMZWZPABCLFGY-UHFFFAOYSA-N 1 0 282.387 3.107 20 10 CGCDRO FC(F)Oc1ccc2c(c1)CCCN2C[C@H]1CCC[NH2+]C1 ZINC000843065455 635555593 /nfs/dbraw/zinc/55/55/93/635555593.db2.gz FLCWXZBYOVYCQJ-LBPRGKRZSA-N 1 0 296.361 3.040 20 10 CGCDRO COc1ccc(N(Cc2ccccc2)C[C@H]2CC[NH2+]C2)cc1 ZINC000843357104 635652611 /nfs/dbraw/zinc/65/26/11/635652611.db2.gz COOGSYLJBTVSPV-KRWDZBQOSA-N 1 0 296.414 3.311 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)c1 ZINC000843416953 635663283 /nfs/dbraw/zinc/66/32/83/635663283.db2.gz MMADHYDVZHUTMD-GDBMZVCRSA-N 1 0 275.392 3.092 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000843419694 635664417 /nfs/dbraw/zinc/66/44/17/635664417.db2.gz PTKNYJUCQZLNHR-ZDUSSCGKSA-N 1 0 288.778 3.430 20 10 CGCDRO C[C@H]1C[N@H+](Cc2c(O)cccc2Cl)CC2(CCC2)O1 ZINC000843432721 635674485 /nfs/dbraw/zinc/67/44/85/635674485.db2.gz OIZNJUYIADMNIU-NSHDSACASA-N 1 0 281.783 3.189 20 10 CGCDRO CC(=O)c1cc(F)cc(C[NH2+]C2(C3CCC3)CC2)c1O ZINC000844419661 635895419 /nfs/dbraw/zinc/89/54/19/635895419.db2.gz PFHFEOLMGYOZTG-UHFFFAOYSA-N 1 0 277.339 3.156 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CC[C@H]2C(C)C)c1 ZINC000845971243 636125617 /nfs/dbraw/zinc/12/56/17/636125617.db2.gz JBWHNQKZGXGUFN-CORIIIEPSA-N 1 0 263.381 3.486 20 10 CGCDRO COc1ccc(O)c(C[NH2+]CC[C@]2(C)C[C@@]2(F)Cl)c1 ZINC000846035600 636134129 /nfs/dbraw/zinc/13/41/29/636134129.db2.gz HNVXKUYDEBGVRI-KGLIPLIRSA-N 1 0 287.762 3.195 20 10 CGCDRO COc1ccc(C[NH2+][C@H](C2CC2)C2CCOCC2)cc1C ZINC000846041822 636136777 /nfs/dbraw/zinc/13/67/77/636136777.db2.gz CCDRKMGNNICQQP-GOSISDBHSA-N 1 0 289.419 3.298 20 10 CGCDRO COc1cccc(O)c1C[NH2+][C@H]1CCc2ccc(C)cc21 ZINC000846054427 636138964 /nfs/dbraw/zinc/13/89/64/636138964.db2.gz AZOPYKYLRDQMLM-INIZCTEOSA-N 1 0 283.371 3.486 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+][C@@H](C)COCC2CC2)c1O ZINC000846074024 636141710 /nfs/dbraw/zinc/14/17/10/636141710.db2.gz VTQLFQNXWUIMFU-NSHDSACASA-N 1 0 283.799 3.259 20 10 CGCDRO Oc1c(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)ccc2ccccc21 ZINC000846114401 636146074 /nfs/dbraw/zinc/14/60/74/636146074.db2.gz VJFWZYQNDHDGMU-OKILXGFUSA-N 1 0 275.298 3.242 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000846116704 636146859 /nfs/dbraw/zinc/14/68/59/636146859.db2.gz IMQOWXWOATUVJA-OAHLLOKOSA-N 1 0 280.362 3.292 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]CCc2ccc(F)cc2)c1O ZINC000846137305 636148870 /nfs/dbraw/zinc/14/88/70/636148870.db2.gz LSJGXGFKOHFHSP-GFCCVEGCSA-N 1 0 289.350 3.433 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]CC(C2CC2)C2CC2)c1O ZINC000846144656 636149236 /nfs/dbraw/zinc/14/92/36/636149236.db2.gz IFLQQFOXURXHLL-LLVKDONJSA-N 1 0 275.392 3.488 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@H]2CCO[C@H](C(C)C)C2)c1O ZINC000846147554 636149671 /nfs/dbraw/zinc/14/96/71/636149671.db2.gz SAIABWXMOHWDJA-XEZPLFJOSA-N 1 0 293.407 3.255 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc3c(c2)COC3)c1O ZINC000846154665 636150513 /nfs/dbraw/zinc/15/05/13/636150513.db2.gz BYNMFXHLAYMVOE-GFCCVEGCSA-N 1 0 299.370 3.282 20 10 CGCDRO CCOc1cccc(C[NH2+][C@H]2CC[C@@H](C)CC2)c1O ZINC000106283252 636177029 /nfs/dbraw/zinc/17/70/29/636177029.db2.gz CVPUMTFHNOTKPK-MQMHXKEQSA-N 1 0 263.381 3.459 20 10 CGCDRO CC[C@@H]([NH2+]CC1(CO)CCCCC1)c1ccccc1O ZINC000130812799 636517561 /nfs/dbraw/zinc/51/75/61/636517561.db2.gz HQAXAIXJKCCKCH-OAHLLOKOSA-N 1 0 277.408 3.376 20 10 CGCDRO C[C@H]([NH2+]CC1(CO)CCCCC1)c1cc(F)ccc1O ZINC000130826778 636517840 /nfs/dbraw/zinc/51/78/40/636517840.db2.gz IVWITYBKYQGWJV-LBPRGKRZSA-N 1 0 281.371 3.125 20 10 CGCDRO CC(C)(C[NH2+]Cc1cc(F)cc(F)c1[O-])c1ccccn1 ZINC000883132233 636549598 /nfs/dbraw/zinc/54/95/98/636549598.db2.gz JXAKULKHJKLLBO-UHFFFAOYSA-N 1 0 292.329 3.133 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CC[C@@H](C)SC1 ZINC000848530466 636591339 /nfs/dbraw/zinc/59/13/39/636591339.db2.gz HHTUZIBWQJUGMN-HIFRSBDPSA-N 1 0 278.465 3.435 20 10 CGCDRO c1cc(C[NH2+][C@@H](C2CC2)[C@@H]2CCCCO2)cc2c1OCC2 ZINC000848559158 636605418 /nfs/dbraw/zinc/60/54/18/636605418.db2.gz BBYNQVRKBMZVBQ-ROUUACIJSA-N 1 0 287.403 3.059 20 10 CGCDRO C[C@H](Cc1ccccn1)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000848564349 636608250 /nfs/dbraw/zinc/60/82/50/636608250.db2.gz FMMLLHPMIPIBRD-CABCVRRESA-N 1 0 283.419 3.429 20 10 CGCDRO COC[C@H](CC(C)(C)C)[NH2+]Cc1cc(C)ccc1O ZINC000848566726 636609454 /nfs/dbraw/zinc/60/94/54/636609454.db2.gz GYROIZQESVJLLW-AWEZNQCLSA-N 1 0 265.397 3.241 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@@H]1CCCCO1 ZINC000848574996 636612785 /nfs/dbraw/zinc/61/27/85/636612785.db2.gz KJJVFSKMPKREBJ-WBVHZDCISA-N 1 0 275.392 3.059 20 10 CGCDRO CC[C@H]([NH2+]Cc1cc(C)c(C)cc1O)[C@@H]1CCCCO1 ZINC000848574173 636613188 /nfs/dbraw/zinc/61/31/88/636613188.db2.gz AZPIHWHVJQKPAU-RDJZCZTQSA-N 1 0 277.408 3.446 20 10 CGCDRO C=C/C=C\CC[NH2+]Cc1ccc(OC)c(COCC)c1 ZINC000883260697 636631432 /nfs/dbraw/zinc/63/14/32/636631432.db2.gz CVIOJVIYQZGKBX-SREVYHEPSA-N 1 0 275.392 3.454 20 10 CGCDRO CCc1cccc(C[N@@H+]2CC[C@H](C)[C@@H](F)C2)c1O ZINC000848900108 636681535 /nfs/dbraw/zinc/68/15/35/636681535.db2.gz AYMCVLIUMPDRNO-FZMZJTMJSA-N 1 0 251.345 3.135 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H](C)c2c(F)cncc2F)c1O ZINC000848910482 636686447 /nfs/dbraw/zinc/68/64/47/636686447.db2.gz KBVOJYSHZSBOMR-JTQLQIEISA-N 1 0 292.329 3.479 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCOC[C@@H](C3CCC3)C2)c1O ZINC000848913502 636687864 /nfs/dbraw/zinc/68/78/64/636687864.db2.gz YUAKKIVANKQZOQ-KRWDZBQOSA-N 1 0 289.419 3.203 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)c1O ZINC000848916866 636690087 /nfs/dbraw/zinc/69/00/87/636690087.db2.gz YAFODCIFAXYZBT-GVDBMIGSSA-N 1 0 289.419 3.080 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H](C)[C@@](C)(OC)C2CC2)c1O ZINC000848917811 636690195 /nfs/dbraw/zinc/69/01/95/636690195.db2.gz XPQKNNBVXFAHLZ-YVEFUNNKSA-N 1 0 277.408 3.248 20 10 CGCDRO CCc1cccc(C[N@H+](CC)CCSC)c1O ZINC000848919663 636691919 /nfs/dbraw/zinc/69/19/19/636691919.db2.gz PJCREJNLCLSCRW-UHFFFAOYSA-N 1 0 253.411 3.140 20 10 CGCDRO Cc1cccc(C[NH2+][C@H](C2CC2)[C@H]2CCCCO2)c1O ZINC000848922087 636692482 /nfs/dbraw/zinc/69/24/82/636692482.db2.gz LWRXMKXEOXGZJH-HZPDHXFCSA-N 1 0 275.392 3.138 20 10 CGCDRO CCC(C)(C)[NH+]1CCN(Cc2cc(C)ccc2O)CC1 ZINC000848924976 636696847 /nfs/dbraw/zinc/69/68/47/636696847.db2.gz JFRWLQFRDYHUDY-UHFFFAOYSA-N 1 0 276.424 3.007 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](OC3CCC3)C2)c1 ZINC000848924827 636697060 /nfs/dbraw/zinc/69/70/60/636697060.db2.gz CFLSVKVSNRFIHF-MRXNPFEDSA-N 1 0 275.392 3.234 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2ccccc2O)CC2(CCCCC2)O1 ZINC000848929550 636700058 /nfs/dbraw/zinc/70/00/58/636700058.db2.gz YBKQGPFBROWHLB-CQSZACIVSA-N 1 0 275.392 3.316 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]C1CCC2(COC2)CC1 ZINC000883390929 636734210 /nfs/dbraw/zinc/73/42/10/636734210.db2.gz XTCFSRKEVPRWIT-UHFFFAOYSA-N 1 0 281.783 3.094 20 10 CGCDRO COc1ccc(CNC(=[NH2+])Nc2cc(C)cc(C)c2)c(O)c1 ZINC000849095699 636744456 /nfs/dbraw/zinc/74/44/56/636744456.db2.gz JUXZVYVERQYQLY-UHFFFAOYSA-N 1 0 299.374 3.154 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC2(O)CCC(C)CC2)c1 ZINC000087044241 636789556 /nfs/dbraw/zinc/78/95/56/636789556.db2.gz VQOFDKBSVCHDBS-KDJCLPLCSA-N 1 0 277.408 3.292 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]Cc2cncc(OC)c2)cc1 ZINC000850035328 636929950 /nfs/dbraw/zinc/92/99/50/636929950.db2.gz ZBSLTIZJMZOVPQ-UHFFFAOYSA-N 1 0 299.418 3.226 20 10 CGCDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]Cc2ccccc2O)c1 ZINC000134236014 637008628 /nfs/dbraw/zinc/00/86/28/637008628.db2.gz RKNIYKSVGKBDBL-UHFFFAOYSA-N 1 0 292.722 3.244 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[C@H](C)C3)C2)cc1 ZINC000850347777 637022969 /nfs/dbraw/zinc/02/29/69/637022969.db2.gz XEPKWUGSZJDUCG-ZNMIVQPWSA-N 1 0 274.408 3.052 20 10 CGCDRO COc1cccc(O)c1C[NH2+]CCc1ccc(C)c(C)c1 ZINC000850366700 637031424 /nfs/dbraw/zinc/03/14/24/637031424.db2.gz JLTHZNOYYPZRPN-UHFFFAOYSA-N 1 0 285.387 3.350 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H]2COC3(CCC3)C2)cc1 ZINC000850368831 637032701 /nfs/dbraw/zinc/03/27/01/637032701.db2.gz CCLNQHBJBNHFMA-IMMZDGJCSA-N 1 0 286.419 3.067 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCc3ccc(O)cc32)c1 ZINC000850385912 637043395 /nfs/dbraw/zinc/04/33/95/637043395.db2.gz COJSHXAWLMOKDH-QGZVFWFLSA-N 1 0 299.370 3.274 20 10 CGCDRO CC(C)C[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000134902234 637050302 /nfs/dbraw/zinc/05/03/02/637050302.db2.gz LXPXWEXTSOWGPH-VIFPVBQESA-N 1 0 272.186 3.461 20 10 CGCDRO CN1CCCc2cc(C[NH2+]C3CC(CF)(CF)C3)ccc21 ZINC000850431608 637059571 /nfs/dbraw/zinc/05/95/71/637059571.db2.gz ZIFGANHVYOJKGL-UHFFFAOYSA-N 1 0 294.389 3.246 20 10 CGCDRO C[C@H]([NH2+][C@H]1COC(C)(C)C1)c1cc2c(cc1O)CCCC2 ZINC000850481408 637085399 /nfs/dbraw/zinc/08/53/99/637085399.db2.gz GUUXTCMFOLZHQX-SWLSCSKDSA-N 1 0 289.419 3.489 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1COC(C)(C)C1)c1cc(Cl)ccc1O ZINC000850483407 637086397 /nfs/dbraw/zinc/08/63/97/637086397.db2.gz XEUWLKTWAKGUFH-KOLCDFICSA-N 1 0 269.772 3.264 20 10 CGCDRO COC1CC(CC[NH2+][C@H](C)c2ccc(C)c(C)c2O)C1 ZINC000850483293 637087039 /nfs/dbraw/zinc/08/70/39/637087039.db2.gz WEIKQFXXALOZQP-WLYUNCDWSA-N 1 0 277.408 3.475 20 10 CGCDRO CCC[C@H](CC)[NH2+][C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850488393 637088107 /nfs/dbraw/zinc/08/81/07/637088107.db2.gz MOHROEHWCUDPHT-GJZGRUSLSA-N 1 0 276.424 3.442 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](CO)C2CCC2)c1O ZINC000850487975 637088232 /nfs/dbraw/zinc/08/82/32/637088232.db2.gz KLAXUWGIPHIVCO-QMTHXVAHSA-N 1 0 283.799 3.166 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2COC3(CCC3)C2)c(O)c1 ZINC000850523872 637103352 /nfs/dbraw/zinc/10/33/52/637103352.db2.gz QLMRZUNKERHDAS-KBPBESRZSA-N 1 0 275.392 3.371 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+][C@@H]1C[C@H](O)c3ccccc31)CC2 ZINC000850527489 637106564 /nfs/dbraw/zinc/10/65/64/637106564.db2.gz XXADTCGHMDQIBQ-INMHGKMJSA-N 1 0 281.355 3.148 20 10 CGCDRO C[C@H]([NH2+][C@@H]1C[C@H](O)c2ccccc21)c1ccccc1O ZINC000850530445 637107767 /nfs/dbraw/zinc/10/77/67/637107767.db2.gz YZAXSQHHIIUCKX-CXMBCZLWSA-N 1 0 269.344 3.221 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2CCC[C@H](C)O2)c1O ZINC000850533845 637110236 /nfs/dbraw/zinc/11/02/36/637110236.db2.gz COLNLLIDALEVCB-AVGNSLFASA-N 1 0 279.380 3.009 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]CC[C@@]2(C)CC2(F)F)c1O ZINC000850536918 637112712 /nfs/dbraw/zinc/11/27/12/637112712.db2.gz OXKQOROJKKMAJN-YGRLFVJLSA-N 1 0 285.334 3.487 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1C[C@@H](O)C12CCC2)c1cc(Cl)ccc1O ZINC000850547813 637116915 /nfs/dbraw/zinc/11/69/15/637116915.db2.gz XAHRUKPYLZRETM-NWANDNLSSA-N 1 0 295.810 3.390 20 10 CGCDRO CCCN1CC[C@H]([NH2+][C@@H](CC)c2ccc(N(C)C)cc2)C1 ZINC000850553693 637119342 /nfs/dbraw/zinc/11/93/42/637119342.db2.gz ATRGIWCWICTAGV-WMZOPIPTSA-N 1 0 289.467 3.278 20 10 CGCDRO CCCN1CC[C@H]([NH2+][C@H](C)c2ccc(N(C)CC)cc2)C1 ZINC000850556136 637120244 /nfs/dbraw/zinc/12/02/44/637120244.db2.gz QYNAHGLWWTZJCE-WBVHZDCISA-N 1 0 289.467 3.278 20 10 CGCDRO C[C@H]1C[C@@H]([NH2+]CC2SCCS2)c2c1c(F)ccc2O ZINC000850560612 637124471 /nfs/dbraw/zinc/12/44/71/637124471.db2.gz MINGHFSBSPSBHM-WCBMZHEXSA-N 1 0 299.436 3.475 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)c1nccn1C ZINC000850572193 637129437 /nfs/dbraw/zinc/12/94/37/637129437.db2.gz HXHUAWZHMVRBLJ-VHSXEESVSA-N 1 0 279.771 3.191 20 10 CGCDRO C[C@H](O)[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1ccccc1 ZINC000850585416 637133231 /nfs/dbraw/zinc/13/32/31/637133231.db2.gz XYCUPSHBOOISRO-PRXAMGSTSA-N 1 0 289.350 3.304 20 10 CGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H]1C[C@@]12CCOC2 ZINC000886027860 637374051 /nfs/dbraw/zinc/37/40/51/637374051.db2.gz JPUAWOFVMSXKCQ-DOTOQJQBSA-N 1 0 275.392 3.031 20 10 CGCDRO CCc1nocc1C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000851949471 637556753 /nfs/dbraw/zinc/55/67/53/637556753.db2.gz FEEZEPDFZBSCCK-GFCCVEGCSA-N 1 0 273.380 3.154 20 10 CGCDRO C[C@@H]([NH2+]Cc1cc(C2CC2)no1)c1ccc(N(C)C)cc1 ZINC000851952176 637557798 /nfs/dbraw/zinc/55/77/98/637557798.db2.gz URLOQPPSRUNGPQ-GFCCVEGCSA-N 1 0 285.391 3.469 20 10 CGCDRO Cc1cc(C[N@H+]2CCC[C@@H](C)[C@@H]2CCO)ccc1N(C)C ZINC000852461401 637654116 /nfs/dbraw/zinc/65/41/16/637654116.db2.gz IQSASNBODIXUGB-KDOFPFPSSA-N 1 0 290.451 3.044 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@H]([C@H]3CCCO3)C2)cc1 ZINC000886818906 637705881 /nfs/dbraw/zinc/70/58/81/637705881.db2.gz LOWQOXSNNZNVHJ-FUHWJXTLSA-N 1 0 288.435 3.144 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C2(C3CC3)CCC2)c1O ZINC000886824765 637709451 /nfs/dbraw/zinc/70/94/51/637709451.db2.gz GLMCDRURTNBKTF-NSHDSACASA-N 1 0 261.365 3.384 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccnn1CC)c1ccc(C)cc1O ZINC000853239869 637791534 /nfs/dbraw/zinc/79/15/34/637791534.db2.gz JRVNULWFDGDXMU-HNNXBMFYSA-N 1 0 273.380 3.158 20 10 CGCDRO CC[C@@H](N[C@@H](C)C[NH2+]C)c1ccc(C(F)(F)F)cc1O ZINC000854232801 638030280 /nfs/dbraw/zinc/03/02/80/638030280.db2.gz ULMYGHFJAWTVEG-JOYOIKCWSA-N 1 0 290.329 3.060 20 10 CGCDRO Oc1cccc(Cl)c1C[NH+]1CC(CC2CC2)C1 ZINC000857066709 638448605 /nfs/dbraw/zinc/44/86/05/638448605.db2.gz SIYRRUWLZOMFBM-UHFFFAOYSA-N 1 0 251.757 3.278 20 10 CGCDRO CSCC[C@H](C)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858141871 638641775 /nfs/dbraw/zinc/64/17/75/638641775.db2.gz SXEVSFNQMSKHKE-JTQLQIEISA-N 1 0 288.407 3.262 20 10 CGCDRO CCCn1nc(C)c(C[NH2+]Cc2cc(C)ccc2O)c1C ZINC000858238153 638661328 /nfs/dbraw/zinc/66/13/28/638661328.db2.gz WHSHOFFWSSTSLE-UHFFFAOYSA-N 1 0 287.407 3.214 20 10 CGCDRO COc1cc(C)c(C[NH2+]Cc2cc(C)ccc2O)c(C)n1 ZINC000858239783 638661421 /nfs/dbraw/zinc/66/14/21/638661421.db2.gz TVVLIHYJESGYQV-UHFFFAOYSA-N 1 0 286.375 3.011 20 10 CGCDRO CCc1ncc(C[NH2+]Cc2cc(C)ccc2O)s1 ZINC000858237812 638661764 /nfs/dbraw/zinc/66/17/64/638661764.db2.gz QKUYZWSRVGSOMG-UHFFFAOYSA-N 1 0 262.378 3.009 20 10 CGCDRO CCOc1ccc(C[NH2+]C[C@]2(C)C[C@H]3C[C@H]3C2)c(O)c1 ZINC000858289755 638672171 /nfs/dbraw/zinc/67/21/71/638672171.db2.gz AIVLXDJOMQHNAL-XOIINTDNSA-N 1 0 275.392 3.317 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CO[C@@H](C2CC2)C1)c1cc(Cl)ccc1O ZINC000858547734 638759327 /nfs/dbraw/zinc/75/93/27/638759327.db2.gz OAZWZLSJYTXLTN-ONENECBXSA-N 1 0 281.783 3.264 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc[nH]c1=O)c1cc(Cl)ccc1O ZINC000858562360 638761743 /nfs/dbraw/zinc/76/17/43/638761743.db2.gz BRWDQFMIWGOWMQ-CYBMUJFWSA-N 1 0 292.766 3.387 20 10 CGCDRO COC[C@H](C[NH2+][C@H](C)c1cc(C)ccc1O)C(C)C ZINC000927097786 638841486 /nfs/dbraw/zinc/84/14/86/638841486.db2.gz ZRLOHJWDLQKZJN-KGLIPLIRSA-N 1 0 265.397 3.270 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]Cc2cc(C3CC3)nn2C)c(O)c1C ZINC000927101722 638842263 /nfs/dbraw/zinc/84/22/63/638842263.db2.gz MFNBXHMCLNFAJI-ZDUSSCGKSA-N 1 0 299.418 3.471 20 10 CGCDRO C[C@@H]([NH2+][C@H](C)c1ccccc1O)c1ccc(F)nc1 ZINC000931554206 639170000 /nfs/dbraw/zinc/17/00/00/639170000.db2.gz MEHFRHHTNKRHNG-GHMZBOCLSA-N 1 0 260.312 3.338 20 10 CGCDRO Cc1cc(C[N@@H+]2CCC[C@H]2c2ccnn2C)ccc1N(C)C ZINC000932261379 639304137 /nfs/dbraw/zinc/30/41/37/639304137.db2.gz OVCLITNGWAKEGE-SFHVURJKSA-N 1 0 298.434 3.132 20 10 CGCDRO CS[C@@H]1CCC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000117393675 639326791 /nfs/dbraw/zinc/32/67/91/639326791.db2.gz VSKOBPRAXZPQNJ-HUUCEWRRSA-N 1 0 277.433 3.385 20 10 CGCDRO CCCCC1([NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000934202403 639556790 /nfs/dbraw/zinc/55/67/90/639556790.db2.gz BXYJYSIPIZAQHZ-UHFFFAOYSA-N 1 0 288.435 3.336 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2ccc(N(C)C)cc2C)cn1 ZINC000155947175 639959052 /nfs/dbraw/zinc/95/90/52/639959052.db2.gz JUWLLFZVESDFLS-UHFFFAOYSA-N 1 0 269.392 3.054 20 10 CGCDRO CC[C@@H]([NH2+]Cc1csc(N(C)C)n1)c1ccccc1O ZINC000156189788 639968739 /nfs/dbraw/zinc/96/87/39/639968739.db2.gz HSDMZFSKBHYCAC-CYBMUJFWSA-N 1 0 291.420 3.156 20 10 CGCDRO CSCCCC[NH2+]Cc1cc(Cl)ccc1O ZINC000076764916 640214177 /nfs/dbraw/zinc/21/41/77/640214177.db2.gz HUTBHDSCXWTHBS-UHFFFAOYSA-N 1 0 259.802 3.278 20 10 CGCDRO Cc1ccc(C[C@H](CO)[NH2+][C@H](C)c2ccc(C)cc2O)cc1 ZINC000191579055 640320966 /nfs/dbraw/zinc/32/09/66/640320966.db2.gz CVIUTOPQSKAFAF-NVXWUHKLSA-N 1 0 299.414 3.263 20 10 CGCDRO COc1cccc(Cl)c1C[NH2+]Cc1cc(F)ccc1O ZINC000191615460 640322507 /nfs/dbraw/zinc/32/25/07/640322507.db2.gz ZLQCINBLFBPGRP-UHFFFAOYSA-N 1 0 295.741 3.483 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCO[C@](C)(c3ccccc3)C2)c1 ZINC000093341944 640769521 /nfs/dbraw/zinc/76/95/21/640769521.db2.gz OHCVSDBLHRVRHL-IBGZPJMESA-N 1 0 297.398 3.448 20 10 CGCDRO Cc1cc(O)c(C[N@H+](C)CCC(=O)OC(C)(C)C)cc1C ZINC000093686615 640779766 /nfs/dbraw/zinc/77/97/66/640779766.db2.gz ZTURGGIUNKXLIX-UHFFFAOYSA-N 1 0 293.407 3.173 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H]1CCC[C@H](O)C1)c1ccc(N(C)C)cc1 ZINC000305145379 640883675 /nfs/dbraw/zinc/88/36/75/640883675.db2.gz NHNMYDQRLQBIPG-JLSDUUJJSA-N 1 0 290.451 3.344 20 10 CGCDRO Oc1ccc(Cl)cc1CN1CCC[C@H]([NH2+]CC2CC2)C1 ZINC000113359251 640976435 /nfs/dbraw/zinc/97/64/35/640976435.db2.gz YCZPXASGHFWULE-HNNXBMFYSA-N 1 0 294.826 3.010 20 10 CGCDRO O=C(c1ccc(F)cc1)c1ccccc1NC1=CC[NH2+]CC1 ZINC001159438905 806102662 /nfs/dbraw/zinc/10/26/62/806102662.db2.gz UHTFACZHWGSORF-UHFFFAOYSA-N 1 0 296.345 3.346 20 10 CGCDRO CC[N@H+](Cc1ccccc1O)C1CCC(OC)CC1 ZINC001255462781 806645404 /nfs/dbraw/zinc/64/54/04/806645404.db2.gz AANHEHFKPPUUFH-UHFFFAOYSA-N 1 0 263.381 3.172 20 10 CGCDRO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(OC)ccc1O ZINC000037031274 798856892 /nfs/dbraw/zinc/85/68/92/798856892.db2.gz RVYLEFLPWLZEFS-IUODEOHRSA-N 1 0 263.381 3.459 20 10 CGCDRO Oc1ccccc1C[NH2+]CCSc1ccccc1 ZINC000037903982 798879740 /nfs/dbraw/zinc/87/97/40/798879740.db2.gz HEDMCGPHDDMLJH-UHFFFAOYSA-N 1 0 259.374 3.274 20 10 CGCDRO Oc1cc2c(cc1C[NH2+]Cc1ccccc1Cl)OCO2 ZINC000042879171 798889556 /nfs/dbraw/zinc/88/95/56/798889556.db2.gz RNGQBNGJYBGWMB-UHFFFAOYSA-N 1 0 291.734 3.064 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]CCc2cc(F)cc(F)c2)c1 ZINC000071409253 798917428 /nfs/dbraw/zinc/91/74/28/798917428.db2.gz DDILRSYDKHVRGM-UHFFFAOYSA-N 1 0 277.314 3.311 20 10 CGCDRO COc1ccc(C[NH2+]C2CCC(C)(C)CC2)c(O)c1 ZINC000079675597 798930684 /nfs/dbraw/zinc/93/06/84/798930684.db2.gz ZYXXMIVKCFDJJL-UHFFFAOYSA-N 1 0 263.381 3.459 20 10 CGCDRO CC[NH+](CC)C1CCN(Cc2c(O)cccc2Cl)CC1 ZINC000121704310 798989269 /nfs/dbraw/zinc/98/92/69/798989269.db2.gz NFSKBMAZOQWUTR-UHFFFAOYSA-N 1 0 296.842 3.352 20 10 CGCDRO COc1cccc(C[N@@H+]2CC[C@@H]3CCCC[C@H]3C2)c1O ZINC000250410515 799162316 /nfs/dbraw/zinc/16/23/16/799162316.db2.gz YEDOJHPOOKVNGV-KBPBESRZSA-N 1 0 275.392 3.413 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCN(C2CC2)C1)c1ccc2ccccc2c1O ZINC000314594792 799234503 /nfs/dbraw/zinc/23/45/03/799234503.db2.gz CBUHYUXOJBHHIQ-UKRRQHHQSA-N 1 0 296.414 3.433 20 10 CGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H](C)c1cnn(C)c1C ZINC000318819706 799245864 /nfs/dbraw/zinc/24/58/64/799245864.db2.gz QCZHZJOXWZUTIU-ZDUSSCGKSA-N 1 0 296.418 3.379 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@]2(O)CCC[C@@H]2C)cc1 ZINC000328229409 799250356 /nfs/dbraw/zinc/25/03/56/799250356.db2.gz CLQMBLUCCGIAQW-YJBOKZPZSA-N 1 0 290.451 3.174 20 10 CGCDRO CCC[C@@H](C[NH2+][C@@H](CC)c1ccccc1O)OC ZINC000378666741 799342484 /nfs/dbraw/zinc/34/24/84/799342484.db2.gz AZBSCQXVSHAOHE-JSGCOSHPSA-N 1 0 251.370 3.248 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)[C@H]1CCCCO1 ZINC000379285564 799349128 /nfs/dbraw/zinc/34/91/28/799349128.db2.gz GUYDNIBVNHYAKT-RDTXWAMCSA-N 1 0 288.435 3.116 20 10 CGCDRO COC1(CC[NH2+][C@@H](C)c2ccc(N(C)C)cc2)CCC1 ZINC000380677922 799365990 /nfs/dbraw/zinc/36/59/90/799365990.db2.gz ZDYBWYZBRVTDLQ-AWEZNQCLSA-N 1 0 276.424 3.362 20 10 CGCDRO CS[C@@H]1CC[C@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000381540229 799382066 /nfs/dbraw/zinc/38/20/66/799382066.db2.gz HKCGLTNZXXEKQI-ZYHUDNBSSA-N 1 0 257.786 3.029 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc(OC)cc1O)C1CCCC1 ZINC000382785021 799396841 /nfs/dbraw/zinc/39/68/41/799396841.db2.gz JYOALUJPJFSKLV-OAHLLOKOSA-N 1 0 263.381 3.459 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2C[C@H]2CC(C)C)c1 ZINC000385873969 799428701 /nfs/dbraw/zinc/42/87/01/799428701.db2.gz VOCXDCZIIRIDHI-YWPYICTPSA-N 1 0 263.381 3.486 20 10 CGCDRO CC(C)[C@@H](C[NH2+][C@@H]1CCc2cccc(O)c21)N1CCCC1 ZINC000386652041 799438566 /nfs/dbraw/zinc/43/85/66/799438566.db2.gz YOEDNWRGCCQHDC-HZPDHXFCSA-N 1 0 288.435 3.090 20 10 CGCDRO Cc1csc([C@H](C)[NH2+][C@@H]2CCc3cccc(O)c32)n1 ZINC000389192473 799460719 /nfs/dbraw/zinc/46/07/19/799460719.db2.gz ORTLNUSFXHIZPX-CMPLNLGQSA-N 1 0 274.389 3.495 20 10 CGCDRO C[C@H]([NH2+]CCc1cnccn1)c1ccc2ccccc2c1O ZINC000390209939 799469513 /nfs/dbraw/zinc/46/95/13/799469513.db2.gz NTTQXSGTDCWUMF-ZDUSSCGKSA-N 1 0 293.370 3.229 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CS[C@@H](C)C2)c1 ZINC000397970511 799524256 /nfs/dbraw/zinc/52/42/56/799524256.db2.gz MNROGYRCYXVFEO-SRVKXCTJSA-N 1 0 251.395 3.245 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]Cc2cnc(C)o2)cc1 ZINC000398020570 799525788 /nfs/dbraw/zinc/52/57/88/799525788.db2.gz VGXRBOGUGHRDRR-UHFFFAOYSA-N 1 0 273.380 3.119 20 10 CGCDRO CCOc1cccc(C[N@H+]2C[C@@H](CC)O[C@@H](CC)C2)c1O ZINC000398733698 799533302 /nfs/dbraw/zinc/53/33/02/799533302.db2.gz NJEOIEJDHMFRKY-GASCZTMLSA-N 1 0 293.407 3.180 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCC[C@@H]2CCOC2)c(O)c1 ZINC000402029360 799560082 /nfs/dbraw/zinc/56/00/82/799560082.db2.gz HXSSYKZMQDXMLQ-UONOGXRCSA-N 1 0 263.381 3.168 20 10 CGCDRO CC[C@@H]([NH2+]CCC[C@H]1CCOC1)c1ccccc1O ZINC000402057999 799560245 /nfs/dbraw/zinc/56/02/45/799560245.db2.gz SEKKVYLMUJCZCV-DZGCQCFKSA-N 1 0 263.381 3.250 20 10 CGCDRO COc1cc(Cl)cc(C[N@@H+]2C[C@@H](OC)CC[C@@H]2C)c1O ZINC000687207165 799736934 /nfs/dbraw/zinc/73/69/34/799736934.db2.gz GEIOILOXJQAYFI-GWCFXTLKSA-N 1 0 299.798 3.054 20 10 CGCDRO COc1ccc(C[NH2+]C2(CCO)CCCCC2)cc1C ZINC000687278922 799738924 /nfs/dbraw/zinc/73/89/24/799738924.db2.gz XKESYCZPYXLXMZ-UHFFFAOYSA-N 1 0 277.408 3.179 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCC[C@H](C)O2)c1 ZINC000688879397 799756552 /nfs/dbraw/zinc/75/65/52/799756552.db2.gz OYKNQHSUDNGBBV-IHRRRGAJSA-N 1 0 263.381 3.309 20 10 CGCDRO Oc1cc(Br)ccc1C[NH2+][C@H]1CC=CCC1 ZINC000691426153 799783863 /nfs/dbraw/zinc/78/38/63/799783863.db2.gz GTELVJZVRROCRW-LBPRGKRZSA-N 1 0 282.181 3.353 20 10 CGCDRO CC1(C)C[C@@H]1[NH2+]Cc1ccc(Br)cc1O ZINC000691397417 799783771 /nfs/dbraw/zinc/78/37/71/799783771.db2.gz YFBUNQMYVJJLPC-NSHDSACASA-N 1 0 270.170 3.043 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@H]2CCC(C)(C)O2)c1O ZINC000691496157 799785028 /nfs/dbraw/zinc/78/50/28/799785028.db2.gz UCBJODOJHXFNBQ-CQSZACIVSA-N 1 0 263.381 3.002 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@H]2CCCCS2)c1O ZINC000691500767 799785644 /nfs/dbraw/zinc/78/56/44/799785644.db2.gz RMPFQABSPUCZEN-CQSZACIVSA-N 1 0 265.422 3.330 20 10 CGCDRO CCSC1(C[NH2+]Cc2cc(Cl)ccc2O)CC1 ZINC000691854557 799788862 /nfs/dbraw/zinc/78/88/62/799788862.db2.gz CVMVUPHOOOPFSC-UHFFFAOYSA-N 1 0 271.813 3.421 20 10 CGCDRO C[C@@H](C[NH2+]Cc1cc(Cl)ccc1O)c1ccccn1 ZINC000692655822 799795290 /nfs/dbraw/zinc/79/52/90/799795290.db2.gz GHWDMCZQKYRSEB-NSHDSACASA-N 1 0 276.767 3.334 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1CCOC1(C)C)c1ccc(N(C)C)cc1 ZINC000693106653 799806906 /nfs/dbraw/zinc/80/69/06/799806906.db2.gz GHKKVTOQNADTAY-ZFWWWQNUSA-N 1 0 276.424 3.218 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]CCC1SCCS1 ZINC000693779033 799815295 /nfs/dbraw/zinc/81/52/95/799815295.db2.gz BHUXFSFCDYGHDI-UHFFFAOYSA-N 1 0 289.853 3.331 20 10 CGCDRO CO[C@H](C[NH2+]Cc1ccccc1O)C1CCCCC1 ZINC000695138956 799827325 /nfs/dbraw/zinc/82/73/25/799827325.db2.gz AOBJFUCRGVQXDS-MRXNPFEDSA-N 1 0 263.381 3.077 20 10 CGCDRO CC[C@@H]([NH2+]Cc1c(O)cccc1Br)C1CC1 ZINC000706854293 799967257 /nfs/dbraw/zinc/96/72/57/799967257.db2.gz ZBXAUACEVBTKJL-GFCCVEGCSA-N 1 0 284.197 3.433 20 10 CGCDRO Oc1cccc(Br)c1C[NH2+]C(C1CC1)C1CC1 ZINC000706820253 799967902 /nfs/dbraw/zinc/96/79/02/799967902.db2.gz ZIYNAQFRISVQKY-UHFFFAOYSA-N 1 0 296.208 3.433 20 10 CGCDRO CCOC[C@H]1CCCC[N@@H+]1Cc1cccc(CC)c1O ZINC000709322256 800006465 /nfs/dbraw/zinc/00/64/65/800006465.db2.gz XCPZXQOMYOODES-MRXNPFEDSA-N 1 0 277.408 3.346 20 10 CGCDRO CCc1cccc(C[NH2+]C2Cc3ccccc3C2)c1O ZINC000709493299 800009618 /nfs/dbraw/zinc/00/96/18/800009618.db2.gz XHBKNHIVDMPFMW-UHFFFAOYSA-N 1 0 267.372 3.212 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1CCC2(CCC2)O1)c1ccccc1O ZINC000711511792 800064448 /nfs/dbraw/zinc/06/44/48/800064448.db2.gz BBNZNWLFZAVNKP-CHWSQXEVSA-N 1 0 261.365 3.145 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](C)CC2(C)OCCO2)c(O)c1 ZINC000715996427 800158437 /nfs/dbraw/zinc/15/84/37/800158437.db2.gz GYLPNNLAKPDHRY-KGLIPLIRSA-N 1 0 293.407 3.140 20 10 CGCDRO C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1O)c1ccns1 ZINC000716002383 800159929 /nfs/dbraw/zinc/15/99/29/800159929.db2.gz ZCBROQNBVOTZPO-RKDXNWHRSA-N 1 0 266.341 3.400 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CC(C)(C)CO2)c1 ZINC000717324648 800201141 /nfs/dbraw/zinc/20/11/41/800201141.db2.gz YVPVKRHBWDFKJS-CHWSQXEVSA-N 1 0 263.381 3.166 20 10 CGCDRO c1cc(C[NH2+]C2(C3CCC3)CCC2)cc2c1OCC2 ZINC000717819021 800205912 /nfs/dbraw/zinc/20/59/12/800205912.db2.gz FAADRUFRHKLLAT-UHFFFAOYSA-N 1 0 257.377 3.434 20 10 CGCDRO Cc1cccc(C[NH2+]Cc2nc3c(s2)CCCC3)c1O ZINC000719527768 800241327 /nfs/dbraw/zinc/24/13/27/800241327.db2.gz LVKHFXKDAOWCMF-UHFFFAOYSA-N 1 0 288.416 3.326 20 10 CGCDRO CCc1cccc(C[NH2+]Cc2nc3c(s2)CCC3)c1O ZINC000719560194 800242948 /nfs/dbraw/zinc/24/29/48/800242948.db2.gz KYRNQPMLYOIVHY-UHFFFAOYSA-N 1 0 288.416 3.190 20 10 CGCDRO C[C@H]([NH2+]Cc1nc2c(s1)CCC2)c1ccccc1O ZINC000719624458 800246740 /nfs/dbraw/zinc/24/67/40/800246740.db2.gz GYLRLXLUUBCHNJ-JTQLQIEISA-N 1 0 274.389 3.188 20 10 CGCDRO Cc1nc(C[NH2+]Cc2cc(C)ccc2O)sc1C ZINC000719627948 800246972 /nfs/dbraw/zinc/24/69/72/800246972.db2.gz YJTRWOQXSYZHIG-UHFFFAOYSA-N 1 0 262.378 3.064 20 10 CGCDRO COC(C)(C)[C@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000720246373 800254851 /nfs/dbraw/zinc/25/48/51/800254851.db2.gz FTTZOSVNDWJEJM-STQMWFEESA-N 1 0 264.413 3.217 20 10 CGCDRO C[C@@H]1Cc2cc(C[NH2+]Cc3ccccc3O)ccc2O1 ZINC000720776001 800266274 /nfs/dbraw/zinc/26/62/74/800266274.db2.gz BOOTUSHXMYYEQP-GFCCVEGCSA-N 1 0 269.344 3.005 20 10 CGCDRO CCc1cccc(C[NH2+]CC2(C)CC(F)(F)C2)c1O ZINC000720913501 800271929 /nfs/dbraw/zinc/27/19/29/800271929.db2.gz ICAWIZBVEYOYKM-UHFFFAOYSA-N 1 0 269.335 3.480 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1CC[C@@H](C2CC2)O1)c1cc(F)ccc1O ZINC000722338239 800316177 /nfs/dbraw/zinc/31/61/77/800316177.db2.gz UETRVEZURAHRSS-WNMQOVRZSA-N 1 0 279.355 3.140 20 10 CGCDRO C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000724640593 800364875 /nfs/dbraw/zinc/36/48/75/800364875.db2.gz VPPSTVIWRQJBCT-CTASWTNQSA-N 1 0 276.424 3.359 20 10 CGCDRO Cc1cc(C)c(O)c(C[NH+]2CCC(c3ccncn3)CC2)c1 ZINC000840170521 800496475 /nfs/dbraw/zinc/49/64/75/800496475.db2.gz OVGXKOGNLCWLBU-UHFFFAOYSA-N 1 0 297.402 3.179 20 10 CGCDRO Cc1cc(F)ncc1C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000893682538 800575077 /nfs/dbraw/zinc/57/50/77/800575077.db2.gz BXKJFDBOEIRCHQ-ZDUSSCGKSA-N 1 0 287.382 3.446 20 10 CGCDRO C[C@@]1([NH2+]Cc2cc(F)ccc2O)CCOc2ccccc21 ZINC000897385996 800587452 /nfs/dbraw/zinc/58/74/52/800587452.db2.gz PCJYSGWQYYYVGO-QGZVFWFLSA-N 1 0 287.334 3.319 20 10 CGCDRO CCOc1cccc(C[N@@H+]2C[C@H](C)CC23CC3)c1O ZINC001203614920 812407377 /nfs/dbraw/zinc/40/73/77/812407377.db2.gz GXQPQTLKYYGPLZ-GFCCVEGCSA-N 1 0 261.365 3.165 20 10 CGCDRO CC[N@H+](Cc1ccc(Cl)cn1)Cc1ccccc1O ZINC001136931837 803660536 /nfs/dbraw/zinc/66/05/36/803660536.db2.gz XUUVLNBMEBKCLD-UHFFFAOYSA-N 1 0 276.767 3.463 20 10 CGCDRO Cc1c(C[N@H+]2CCC[C@@H](C)[C@H]2CO)c2ccccc2n1C ZINC001138252347 803879955 /nfs/dbraw/zinc/87/99/55/803879955.db2.gz CZONYFUMDRWKAV-FZKQIMNGSA-N 1 0 286.419 3.080 20 10 CGCDRO Cc1c(C[N@H+]2C[C@H](F)C[C@H]2C)c2ccccc2n1C ZINC001138252316 803880155 /nfs/dbraw/zinc/88/01/55/803880155.db2.gz BVLPICIRQVIHLX-DGCLKSJQSA-N 1 0 260.356 3.419 20 10 CGCDRO Cc1c(C[N@@H+]2CC[C@](C)(O)[C@@H](C)C2)c2ccccc2n1C ZINC001138252473 803880715 /nfs/dbraw/zinc/88/07/15/803880715.db2.gz IBGQEUQJNHGZJC-UGSOOPFHSA-N 1 0 286.419 3.080 20 10 CGCDRO CC[NH+](CC)[C@H]1CCN(Cc2c3ccccc3n(C)c2C)C1 ZINC001138257910 803881559 /nfs/dbraw/zinc/88/15/59/803881559.db2.gz CPIFAWPFSIQYOP-INIZCTEOSA-N 1 0 299.462 3.403 20 10 CGCDRO Cc1c(C[N@H+](C)C2CCOCC2)c2ccccc2n1C ZINC001138252861 803882186 /nfs/dbraw/zinc/88/21/86/803882186.db2.gz XAGWVTPWCZMDLW-UHFFFAOYSA-N 1 0 272.392 3.098 20 10 CGCDRO Cc1c(C[NH+]2CC(C(F)F)C2)c2ccccc2n1C ZINC001138259520 803884211 /nfs/dbraw/zinc/88/42/11/803884211.db2.gz ITUQQIXEJGJTIB-UHFFFAOYSA-N 1 0 264.319 3.184 20 10 CGCDRO CO[C@@H]1CC[N@H+](Cc2c(C)n(C)c3ccccc32)[C@H](C)C1 ZINC001138260753 803886423 /nfs/dbraw/zinc/88/64/23/803886423.db2.gz RDLGEFOALUJIML-UKRRQHHQSA-N 1 0 286.419 3.486 20 10 CGCDRO Oc1c(C[N@@H+]2CCCC23CC3)cc2c3c1CCCN3CCC2 ZINC001138338983 803898462 /nfs/dbraw/zinc/89/84/62/803898462.db2.gz YSLTYTWYTDTXLA-UHFFFAOYSA-N 1 0 298.430 3.219 20 10 CGCDRO CN1CCCc2cc(C[N@@H+]3CC[C@@](C)(CF)C3)ccc21 ZINC001138354337 803900671 /nfs/dbraw/zinc/90/06/71/803900671.db2.gz FULZQUUUDPMYKU-KRWDZBQOSA-N 1 0 276.399 3.251 20 10 CGCDRO CN1CCCc2cc(C[N@@H+]3CC[C@](C)(CF)C3)ccc21 ZINC001138354338 803900706 /nfs/dbraw/zinc/90/07/06/803900706.db2.gz FULZQUUUDPMYKU-QGZVFWFLSA-N 1 0 276.399 3.251 20 10 CGCDRO CN1CCCc2cc(C[NH+]3CCC(C)(F)CC3)ccc21 ZINC001138354805 803900936 /nfs/dbraw/zinc/90/09/36/803900936.db2.gz VPZJELPKPISKBU-UHFFFAOYSA-N 1 0 276.399 3.393 20 10 CGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cnccc1OC ZINC001139609697 804225427 /nfs/dbraw/zinc/22/54/27/804225427.db2.gz OXGHILQZVNNNJD-UHFFFAOYSA-N 1 0 299.418 3.178 20 10 CGCDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)Cc1ccnc(F)c1 ZINC001139833506 804293927 /nfs/dbraw/zinc/29/39/27/804293927.db2.gz FDYKRBZNPDPSBJ-UHFFFAOYSA-N 1 0 299.393 3.453 20 10 CGCDRO Cc1ccc(C)c(C[N@H+]2CC[C@H](OC(C)C)C2)c1O ZINC001140184002 804396781 /nfs/dbraw/zinc/39/67/81/804396781.db2.gz JPYKBWXFIUBSMR-AWEZNQCLSA-N 1 0 263.381 3.008 20 10 CGCDRO Cc1cc(C[N@H+](C)Cc2ccccc2O)c(C)cc1O ZINC001140202724 804402473 /nfs/dbraw/zinc/40/24/73/804402473.db2.gz WHORNBXTNRAESZ-UHFFFAOYSA-N 1 0 271.360 3.347 20 10 CGCDRO CCCCC[N@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC001140281897 804408709 /nfs/dbraw/zinc/40/87/09/804408709.db2.gz SJEPTECBAVBXKG-UHFFFAOYSA-N 1 0 290.451 3.270 20 10 CGCDRO CCC[N@H+](CCC[NH+](C)C)Cc1ccc(Cl)cc1[O-] ZINC001140464566 804440857 /nfs/dbraw/zinc/44/08/57/804440857.db2.gz VMVRELVCWIXBCQ-UHFFFAOYSA-N 1 0 284.831 3.209 20 10 CGCDRO CC1(F)CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001140461560 804440971 /nfs/dbraw/zinc/44/09/71/804440971.db2.gz MDISFPPNRIGLDO-UHFFFAOYSA-N 1 0 257.736 3.370 20 10 CGCDRO Cc1c(O)ccc(C[N@H+](C)CC/C=C/c2cccnc2)c1O ZINC001140747965 804504838 /nfs/dbraw/zinc/50/48/38/804504838.db2.gz PNFUTKOWASETOI-ZZXKWVIFSA-N 1 0 298.386 3.337 20 10 CGCDRO CN(C)c1ccc(CN2C[C@@H]3C[C@@H]3[C@@H](F)C2)c(Cl)c1 ZINC001140922402 804548743 /nfs/dbraw/zinc/54/87/43/804548743.db2.gz PWKKKOZDMDXUJH-WHOFXGATSA-N 1 0 282.790 3.196 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2C3)c(Cl)c1 ZINC001140924052 804550989 /nfs/dbraw/zinc/55/09/89/804550989.db2.gz BZCSYKGPCSMMOD-SMDDNHRTSA-N 1 0 264.800 3.390 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCC[C@H](c3ccccn3)C2)c(O)c1 ZINC001140949864 804556304 /nfs/dbraw/zinc/55/63/04/804556304.db2.gz OAXLKWMUDTUHFI-HNNXBMFYSA-N 1 0 282.387 3.475 20 10 CGCDRO Cc1ccc(C[N@@H+]2CC[C@H](C(=O)c3ccccc3)C2)c(O)c1 ZINC001140954085 804557693 /nfs/dbraw/zinc/55/76/93/804557693.db2.gz LDXAYGBFECQMOD-KRWDZBQOSA-N 1 0 295.382 3.405 20 10 CGCDRO Cc1ccc(C[N@H+]2CCN(C)[C@H](c3ccccc3)C2)c(O)c1 ZINC001140950057 804558825 /nfs/dbraw/zinc/55/88/25/804558825.db2.gz SRVLKBHGCNBHKK-SFHVURJKSA-N 1 0 296.414 3.189 20 10 CGCDRO CCCCc1ncc(C[N@H+](CC)Cc2ccccc2O)[nH]1 ZINC001141071596 804584542 /nfs/dbraw/zinc/58/45/42/804584542.db2.gz WCNVZIGVEPDHSQ-UHFFFAOYSA-N 1 0 287.407 3.480 20 10 CGCDRO CN1CCOc2cc(C[NH+]3C[C@@H]4CCCC[C@H]4C3)ccc21 ZINC001141141504 804597028 /nfs/dbraw/zinc/59/70/28/804597028.db2.gz ZFOQLPNRISGMNR-HOTGVXAUSA-N 1 0 286.419 3.137 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2ccc3c(c2)OCCN3C)[C@H](C)C1 ZINC001141143546 804597438 /nfs/dbraw/zinc/59/74/38/804597438.db2.gz DAGVYEHAACNLDC-ZIAGYGMSSA-N 1 0 274.408 3.136 20 10 CGCDRO Oc1ccc(O)c(C[N@@H+]2CCC3(C2)CCCCC3)c1 ZINC001141162736 804601730 /nfs/dbraw/zinc/60/17/30/804601730.db2.gz BMZMIXFEROQOBM-UHFFFAOYSA-N 1 0 261.365 3.254 20 10 CGCDRO Oc1ccc(O)c(C[N@@H+]2CC[C@H]3CCCC[C@H]3C2)c1 ZINC001141160443 804602121 /nfs/dbraw/zinc/60/21/21/804602121.db2.gz YPGPBZPRIONTPC-OLZOCXBDSA-N 1 0 261.365 3.110 20 10 CGCDRO CC[N@H+](Cc1cccc2nn(C)cc21)Cc1ccccc1O ZINC001142464693 804725409 /nfs/dbraw/zinc/72/54/09/804725409.db2.gz BOOGWTMCLGZYAQ-UHFFFAOYSA-N 1 0 295.386 3.301 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@@H]3CC[NH2+]3)n2)cc1 ZINC001247676899 804794830 /nfs/dbraw/zinc/79/48/30/804794830.db2.gz OHYMSGLVUIDLLJ-HNNXBMFYSA-N 1 0 294.358 3.179 20 10 CGCDRO CC(C)(C)c1cccc(C[N@@H+]2CC[C@H](F)C2)c1O ZINC001143103898 804801295 /nfs/dbraw/zinc/80/12/95/804801295.db2.gz MRWNVADSRZFZCG-LBPRGKRZSA-N 1 0 251.345 3.234 20 10 CGCDRO CC(C)(C)c1cccc(C[N@@H+]2CCC[C@]23CCOC3)c1O ZINC001143112310 804803586 /nfs/dbraw/zinc/80/35/86/804803586.db2.gz PSHYLNSTRXANER-GOSISDBHSA-N 1 0 289.419 3.445 20 10 CGCDRO CCN1CC[N@H+](Cc2cccc(C(C)(C)C)c2O)[C@H](C)C1 ZINC001143117252 804804891 /nfs/dbraw/zinc/80/48/91/804804891.db2.gz ZWTOIIDEHADECF-CQSZACIVSA-N 1 0 290.451 3.216 20 10 CGCDRO CCOc1ccc(N2CC[NH+](C3CCCC3)CC2)cc1 ZINC001257355459 807120153 /nfs/dbraw/zinc/12/01/53/807120153.db2.gz VBUAKPVWEUYAIZ-UHFFFAOYSA-N 1 0 274.408 3.150 20 10 CGCDRO CCn1cc(C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3C)cn1 ZINC001257438035 807155866 /nfs/dbraw/zinc/15/58/66/807155866.db2.gz PVYUWBXUDQMSNU-OCCSQVGLSA-N 1 0 285.391 3.255 20 10 CGCDRO CCCCC[C@@H](C)[NH2+]CCc1ccc(O)c(O)c1 ZINC001257502363 807183458 /nfs/dbraw/zinc/18/34/58/807183458.db2.gz YHBXXGHKQOSJCN-GFCCVEGCSA-N 1 0 251.370 3.199 20 10 CGCDRO C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCC12CCOCC2 ZINC001167735196 807237100 /nfs/dbraw/zinc/23/71/00/807237100.db2.gz UZKOMLXMURLJED-INIZCTEOSA-N 1 0 289.419 3.421 20 10 CGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC001167958057 807286557 /nfs/dbraw/zinc/28/65/57/807286557.db2.gz YBDSTJXZSDXVRI-SCAQPMJSSA-N 1 0 258.409 3.373 20 10 CGCDRO CCCCC[C@@H](CC)[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001258427259 807445548 /nfs/dbraw/zinc/44/55/48/807445548.db2.gz AQCAHDIBCGEJDN-CJNGLKHVSA-N 1 0 281.396 3.080 20 10 CGCDRO CC(C)CC(CC(C)C)[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001258829632 807643865 /nfs/dbraw/zinc/64/38/65/807643865.db2.gz CBBJVYWYMNCSRA-KRWDZBQOSA-N 1 0 295.423 3.182 20 10 CGCDRO C[C@@H]([NH2+]C1CC2(CC2(F)F)C1)c1ccccc1O ZINC001261602944 807770271 /nfs/dbraw/zinc/77/02/71/807770271.db2.gz GOAAMIOXSKJTPW-TTXORMCVSA-N 1 0 253.292 3.231 20 10 CGCDRO Cc1ccc(OCC[N@@H+](C)Cc2ccc(N)cc2)cc1 ZINC001262487579 807868404 /nfs/dbraw/zinc/86/84/04/807868404.db2.gz YMADOYPSNKDNBW-UHFFFAOYSA-N 1 0 270.376 3.088 20 10 CGCDRO Oc1ccccc1C[NH2+][C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170660140 807870686 /nfs/dbraw/zinc/87/06/86/807870686.db2.gz SYRWWYRSWPBKDU-CQSZACIVSA-N 1 0 289.325 3.318 20 10 CGCDRO Fc1cccc2c1C[C@H]([NH2+]Cc1ccc3c(c1)CCO3)C2 ZINC001171776688 808135665 /nfs/dbraw/zinc/13/56/65/808135665.db2.gz ZRFPWNQSABUGQD-OAHLLOKOSA-N 1 0 283.346 3.018 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1Cc2cccc(F)c2C1)c1ccccc1O ZINC001171777134 808136675 /nfs/dbraw/zinc/13/66/75/808136675.db2.gz IYFLSIFRWZBTJR-DGCLKSJQSA-N 1 0 271.335 3.349 20 10 CGCDRO CCOCC[C@@H](C)[N@H+](CC)Cc1ccc(N(C)C)cc1 ZINC001172425938 808304238 /nfs/dbraw/zinc/30/42/38/808304238.db2.gz FQDPDXYGOGQZRY-OAHLLOKOSA-N 1 0 278.440 3.390 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2CCC[C@H](OC)C2)cc1C ZINC001172925919 808483493 /nfs/dbraw/zinc/48/34/93/808483493.db2.gz LTCQEONGFYIEFB-GJZGRUSLSA-N 1 0 263.381 3.051 20 10 CGCDRO CCOc1ccc(N2CCC[C@@]3(CCC[N@H+](C)C3)C2)cc1 ZINC001276926121 809045861 /nfs/dbraw/zinc/04/58/61/809045861.db2.gz OADFFLYFCIDLHS-GOSISDBHSA-N 1 0 288.435 3.398 20 10 CGCDRO COc1cc(C[NH2+]Cc2ccc3c(c2)CCO3)ccc1F ZINC001177586984 809810905 /nfs/dbraw/zinc/81/09/05/809810905.db2.gz RQJTTYINJVBLOW-UHFFFAOYSA-N 1 0 287.334 3.059 20 10 CGCDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@H]1CCN1C(C)(C)C ZINC001179143103 809906399 /nfs/dbraw/zinc/90/63/99/809906399.db2.gz RUTBBISZVKWLLS-OAHLLOKOSA-N 1 0 299.462 3.449 20 10 CGCDRO COc1ccc(C[NH2+]CC2(OC(C)C)CCC2)cc1C ZINC001179512383 809926799 /nfs/dbraw/zinc/92/67/99/809926799.db2.gz SWXDTRDOVNLJCF-UHFFFAOYSA-N 1 0 277.408 3.441 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@H+](CCO)C1CCCCC1 ZINC001179850149 809950749 /nfs/dbraw/zinc/95/07/49/809950749.db2.gz RWNOHVPVOQEAOY-UHFFFAOYSA-N 1 0 290.451 3.188 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH+]2CCSCC2)c1 ZINC001180540073 810009526 /nfs/dbraw/zinc/00/95/26/810009526.db2.gz GYETZFKAESBDAX-UHFFFAOYSA-N 1 0 251.395 3.064 20 10 CGCDRO [O-]c1cc(F)c(F)cc1C[N@@H+]1CCCC2(CC2)C1 ZINC001181113450 810038207 /nfs/dbraw/zinc/03/82/07/810038207.db2.gz OPLHKRWNRPETKU-UHFFFAOYSA-N 1 0 253.292 3.046 20 10 CGCDRO C=Cn1cc(C[N@@H+](C)Cc2ccc(N3CCCC3)cc2)cn1 ZINC001181556594 810059113 /nfs/dbraw/zinc/05/91/13/810059113.db2.gz ZNCZWNZYCQKVAY-UHFFFAOYSA-N 1 0 296.418 3.216 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+]CCO[C@H]2CCCCO2)c1 ZINC001182033215 810091333 /nfs/dbraw/zinc/09/13/33/810091333.db2.gz PDFPLLCUKOBTKU-KRWDZBQOSA-N 1 0 293.407 3.148 20 10 CGCDRO CC1(C)CO[C@@H](C[NH2+]Cc2ccc3ccccc3c2O)C1 ZINC001183674270 810156406 /nfs/dbraw/zinc/15/64/06/810156406.db2.gz WACYMVJIZAROKD-OAHLLOKOSA-N 1 0 285.387 3.450 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+]CC[C@H]2CCCO2)c1 ZINC001183810262 810163534 /nfs/dbraw/zinc/16/35/34/810163534.db2.gz BHCNDJOWGGNGLV-OAHLLOKOSA-N 1 0 263.381 3.174 20 10 CGCDRO Oc1cc2c(cc1O)C[N@H+](C[C@@H]1CC=CCC1)CCC2 ZINC001201421679 811838666 /nfs/dbraw/zinc/83/86/66/811838666.db2.gz DDGCVDLDPQARAO-CYBMUJFWSA-N 1 0 273.376 3.202 20 10 CGCDRO CCC[C@@H](C)C[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001201554085 811901608 /nfs/dbraw/zinc/90/16/08/811901608.db2.gz UCCBJYUBWCYDIW-GFCCVEGCSA-N 1 0 263.381 3.282 20 10 CGCDRO CCCCCC[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001201756334 811960660 /nfs/dbraw/zinc/96/06/60/811960660.db2.gz JPWSXWLZYNPINO-UHFFFAOYSA-N 1 0 263.381 3.426 20 10 CGCDRO CC[C@@H](C)[C@@H](C[NH2+]Cc1ccc2c(c1)CCCO2)OC ZINC001202496118 812109235 /nfs/dbraw/zinc/10/92/35/812109235.db2.gz VNLUYQDYGXFWOF-CXAGYDPISA-N 1 0 277.408 3.162 20 10 CGCDRO CCC(C)(C)CC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC001203351879 812318822 /nfs/dbraw/zinc/31/88/22/812318822.db2.gz HHHPOZFFVWKYQB-UHFFFAOYSA-N 1 0 290.451 3.439 20 10 CGCDRO COc1ccc(O)c(C[NH+]2CCC3(CC(F)(F)C3)CC2)c1 ZINC001203669583 812425837 /nfs/dbraw/zinc/42/58/37/812425837.db2.gz FYGZKJLDTPPXDZ-UHFFFAOYSA-N 1 0 297.345 3.412 20 10 CGCDRO Oc1ccc(C[NH+]2CCC(Oc3ccccc3)CC2)cc1O ZINC001203874961 812478179 /nfs/dbraw/zinc/47/81/79/812478179.db2.gz FVQFXZCCIBCVCA-UHFFFAOYSA-N 1 0 299.370 3.141 20 10 CGCDRO Oc1ccc(C[N@@H+]2CC[C@H](c3ccccc3F)C2)cc1O ZINC001203882739 812479745 /nfs/dbraw/zinc/47/97/45/812479745.db2.gz TUXBBAJWTDTKSS-ZDUSSCGKSA-N 1 0 287.334 3.226 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H](C)N(C)C[C@H]2C)cc1 ZINC001203940303 812497985 /nfs/dbraw/zinc/49/79/85/812497985.db2.gz LOWNESJHDCXDPB-JKSUJKDBSA-N 1 0 289.467 3.057 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2CO)c2ccccc21 ZINC001204233013 812580326 /nfs/dbraw/zinc/58/03/26/812580326.db2.gz NGJMYDAYMUZIJN-MRXNPFEDSA-N 1 0 298.430 3.253 20 10 CGCDRO C[C@H]1COCC[N@H+](Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001204233570 812580608 /nfs/dbraw/zinc/58/06/08/812580608.db2.gz RPMRTGZEHFDZQO-OAHLLOKOSA-N 1 0 298.430 3.374 20 10 CGCDRO C[C@H]1C[N@H+](Cc2ccc(N(C)C)c3ccccc23)CC[C@H]1O ZINC001204234157 812581796 /nfs/dbraw/zinc/58/17/96/812581796.db2.gz XRHWZGRCYOEVFM-IFXJQAMLSA-N 1 0 298.430 3.109 20 10 CGCDRO C[N@H+](C/C=C/c1ccccc1)Cc1ccc(O)cc1O ZINC001204281095 812596184 /nfs/dbraw/zinc/59/61/84/812596184.db2.gz QMGHSRMLHJPTFV-VMPITWQZSA-N 1 0 269.344 3.243 20 10 CGCDRO FC[C@@H]1CCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204327510 812614238 /nfs/dbraw/zinc/61/42/38/812614238.db2.gz WRXMPURLTCTXHM-INIZCTEOSA-N 1 0 276.399 3.468 20 10 CGCDRO FC[C@H]1CCC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001204329804 812614300 /nfs/dbraw/zinc/61/43/00/812614300.db2.gz YUOOAPMDMCEWFR-MRXNPFEDSA-N 1 0 262.372 3.221 20 10 CGCDRO COc1cc(C[NH+]2CCC3(CCCC3)CC2)cc(O)c1O ZINC001204347284 812618151 /nfs/dbraw/zinc/61/81/51/812618151.db2.gz OMUGBMHSONXLRO-UHFFFAOYSA-N 1 0 291.391 3.263 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)c1O ZINC001204892077 812766292 /nfs/dbraw/zinc/76/62/92/812766292.db2.gz UVQSMCLMMBEVAP-HIFRSBDPSA-N 1 0 275.392 3.474 20 10 CGCDRO C[C@@]1([NH3+])CCCN(Cc2cc(Cl)c(Cl)cc2O)C1 ZINC001204946438 812792968 /nfs/dbraw/zinc/79/29/68/812792968.db2.gz OAOOIOGNXWIZIW-CYBMUJFWSA-N 1 0 289.206 3.012 20 10 CGCDRO Cc1c(CN2C[C@H](C)CC[C@@H]2C[NH3+])c2ccccc2n1C ZINC001205814280 813091299 /nfs/dbraw/zinc/09/12/99/813091299.db2.gz BYCMBKQLHVRODL-UKRRQHHQSA-N 1 0 285.435 3.046 20 10 CGCDRO Oc1cc2c(cc1O)C[N@H+](C[C@@H]1C[C@H]3C=C[C@@H]1C3)CCC2 ZINC001207632940 813622862 /nfs/dbraw/zinc/62/28/62/813622862.db2.gz WEMCWTUQPGHSEF-CFVMTHIKSA-N 1 0 285.387 3.058 20 10 CGCDRO Cc1cc(F)c(C[NH2+]Cc2cc(F)ccc2O)c(F)c1 ZINC001207653601 813628496 /nfs/dbraw/zinc/62/84/96/813628496.db2.gz CUBQSTKDBCGKFA-UHFFFAOYSA-N 1 0 281.277 3.408 20 10 CGCDRO COc1ccc2c(c1)c1c(n2C)CC[N@@H+](C[C@@H]2C[C@H]2C)C1 ZINC001209421827 814024002 /nfs/dbraw/zinc/02/40/02/814024002.db2.gz PMTWTESFOWOBJE-OLZOCXBDSA-N 1 0 284.403 3.201 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2C[C@@H]3CCO[C@@H]3C2)cc1 ZINC001209520532 814073549 /nfs/dbraw/zinc/07/35/49/814073549.db2.gz ZXWCPVXZGMLKFA-PKOBYXMFSA-N 1 0 296.414 3.315 20 10 CGCDRO Cn1ccc2c1cc[nH+]c2-c1ccccc1-n1cccn1 ZINC001242708443 823107399 /nfs/dbraw/zinc/10/73/99/823107399.db2.gz BLFRWQIKPLQHKP-UHFFFAOYSA-N 1 0 274.327 3.426 20 10 CGCDRO COc1c[nH+]ccc1Nc1cc(C(C)(C)C)ccc1O ZINC001211263787 814865912 /nfs/dbraw/zinc/86/59/12/814865912.db2.gz JOBRLYJLMJWASV-UHFFFAOYSA-N 1 0 272.348 3.259 20 10 CGCDRO Nc1ccc(O[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC001218178873 816118258 /nfs/dbraw/zinc/11/82/58/816118258.db2.gz UIJBJPLDIZYCPM-SFHVURJKSA-N 1 0 282.387 3.312 20 10 CGCDRO CCN1CCc2cc(O[C@H]3C[NH2+]Cc4ccccc43)ccc21 ZINC001218491508 816245089 /nfs/dbraw/zinc/24/50/89/816245089.db2.gz VAPPPBGDZYZRBK-IBGZPJMESA-N 1 0 294.398 3.292 20 10 CGCDRO Cc1cccc(C[N@@H+]2CC[C@@H](F)C(F)(F)CC2)c1O ZINC001231591154 818132313 /nfs/dbraw/zinc/13/23/13/818132313.db2.gz UPUYEEYWMZTLFR-GFCCVEGCSA-N 1 0 273.298 3.270 20 10 CGCDRO Cc1cc(C)c(C[N@@H+]2CCC[C@]3(CCOC3)C2)c(O)c1 ZINC001231845036 818187160 /nfs/dbraw/zinc/18/71/60/818187160.db2.gz WFUKCSUSNLPNJK-KRWDZBQOSA-N 1 0 275.392 3.012 20 10 CGCDRO Cc1cc(C)c(C[N@@H+]2CC[C@@H](N3CCCCC3)C2)c(O)c1 ZINC001231845863 818187179 /nfs/dbraw/zinc/18/71/79/818187179.db2.gz RPZYUAMSKGREQW-MRXNPFEDSA-N 1 0 288.435 3.069 20 10 CGCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H](C)[C@H]1C ZINC001231853883 818188719 /nfs/dbraw/zinc/18/87/19/818188719.db2.gz SXSOTUVFXTTYCV-UONOGXRCSA-N 1 0 276.424 3.382 20 10 CGCDRO COc1cc(N(C)C)ccc1C[N@H+](C)C[C@H]1CC1(C)C ZINC001231855445 818189198 /nfs/dbraw/zinc/18/91/98/818189198.db2.gz UTVCCFCCYZVCAP-CQSZACIVSA-N 1 0 276.424 3.239 20 10 CGCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H](F)CC1 ZINC001231849804 818189289 /nfs/dbraw/zinc/18/92/89/818189289.db2.gz ZLXCUGFEEYXZRA-CQSZACIVSA-N 1 0 280.387 3.085 20 10 CGCDRO CN(C)C[C@@H]1CCC[N@@H+]1Cc1ccc2ccccc2c1O ZINC001231882722 818201556 /nfs/dbraw/zinc/20/15/56/818201556.db2.gz SVRQITUEKBADHP-INIZCTEOSA-N 1 0 284.403 3.071 20 10 CGCDRO Oc1cc(O)c(C[N@@H+]2CC[C@H]3CCC[C@@H]3C2)cc1Cl ZINC001232257955 818294734 /nfs/dbraw/zinc/29/47/34/818294734.db2.gz NLYWMRCETJHOPJ-GHMZBOCLSA-N 1 0 281.783 3.373 20 10 CGCDRO CCC[NH+](CCC)Cc1cc(Cl)c(O)cc1O ZINC001232258273 818294815 /nfs/dbraw/zinc/29/48/15/818294815.db2.gz HZJGBQSRZWCXHS-UHFFFAOYSA-N 1 0 257.761 3.373 20 10 CGCDRO CC(C)[C@@H]1CCC[N@@H+]1Cc1cc(Cl)c(O)cc1O ZINC001232263592 818297171 /nfs/dbraw/zinc/29/71/71/818297171.db2.gz SJCCHKHJQFXWRL-LBPRGKRZSA-N 1 0 269.772 3.372 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CCCC[C@H]2C)cc1Cl ZINC001232266817 818298696 /nfs/dbraw/zinc/29/86/96/818298696.db2.gz ZJSOYJMVAZZHTI-SNVBAGLBSA-N 1 0 269.772 3.429 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](c3ccccc3)C2)c(O)c1 ZINC001232835080 818451809 /nfs/dbraw/zinc/45/18/09/818451809.db2.gz VDPRLEXHVGLGFL-INIZCTEOSA-N 1 0 296.414 3.448 20 10 CGCDRO C[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2O)[C@H]1C ZINC001232839448 818453490 /nfs/dbraw/zinc/45/34/90/818453490.db2.gz OEWOYENZWYEHSA-OLZOCXBDSA-N 1 0 262.397 3.079 20 10 CGCDRO Cc1cc(Br)cc(C[NH+]2CC3CC(C3)C2)c1O ZINC001233110666 818523598 /nfs/dbraw/zinc/52/35/98/818523598.db2.gz HTYXOERIOVEBPZ-UHFFFAOYSA-N 1 0 296.208 3.305 20 10 CGCDRO COC1CC[NH+](Cc2cc(C(C)(C)C)ccc2O)CC1 ZINC001233283420 818566279 /nfs/dbraw/zinc/56/62/79/818566279.db2.gz GHWCUSDROSLJIN-UHFFFAOYSA-N 1 0 277.408 3.301 20 10 CGCDRO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1cc(C(C)(C)C)ccc1O ZINC001233286423 818567612 /nfs/dbraw/zinc/56/76/12/818567612.db2.gz TYBNGNJNABMRIC-WFASDCNBSA-N 1 0 277.408 3.035 20 10 CGCDRO Oc1c(C[N@H+]2C[C@H]3C[C@@H](C2)O3)cccc1-c1ccccc1 ZINC001234993923 818971417 /nfs/dbraw/zinc/97/14/17/818971417.db2.gz CTQDVVWVYIAMLA-IYBDPMFKSA-N 1 0 281.355 3.032 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2cccc(-c3ccccc3)c2O)CCN1C ZINC001234996603 818972000 /nfs/dbraw/zinc/97/20/00/818972000.db2.gz JCEYINWCKRGBBD-OAHLLOKOSA-N 1 0 296.414 3.195 20 10 CGCDRO CC(=O)[C@H]1CC[N@H+](Cc2cccc(-c3ccccc3)c2O)C1 ZINC001234996334 818973158 /nfs/dbraw/zinc/97/31/58/818973158.db2.gz AQXZXYZYIPRHRH-INIZCTEOSA-N 1 0 295.382 3.470 20 10 CGCDRO Oc1c(CN2CCCC[C@]23CC[NH2+]C3)ccc2ccccc21 ZINC001235116687 819010904 /nfs/dbraw/zinc/01/09/04/819010904.db2.gz HAUCOLVINZUMHW-LJQANCHMSA-N 1 0 296.414 3.263 20 10 CGCDRO C[C@@H]1C[NH+](Cc2ccc(C(C)(C)C)cc2O)C[C@@H](C)O1 ZINC001235674367 819135111 /nfs/dbraw/zinc/13/51/11/819135111.db2.gz FLDPQEPZCMADAI-CHWSQXEVSA-N 1 0 277.408 3.299 20 10 CGCDRO CC(C)(C)c1ccc(C[NH+]2CC3(C2)CCCOC3)c(O)c1 ZINC001235682148 819140157 /nfs/dbraw/zinc/14/01/57/819140157.db2.gz OGRRCIJPSQSFIM-UHFFFAOYSA-N 1 0 289.419 3.302 20 10 CGCDRO CCN(Cc1cccc(-c2ccccc2)c1O)[C@H]1CC[NH2+]C1 ZINC001235969250 819254049 /nfs/dbraw/zinc/25/40/49/819254049.db2.gz AAZQNORKMFXBOB-KRWDZBQOSA-N 1 0 296.414 3.243 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(CN2C[C@H]3CC[C@]3([NH3+])C2)cc1 ZINC001235976989 819255820 /nfs/dbraw/zinc/25/58/20/819255820.db2.gz DWEGXKXHOSOFDN-MJGOQNOKSA-N 1 0 295.430 3.017 20 10 CGCDRO CCN(Cc1cc(C(C)(C)C)ccc1O)[C@@H]1CCC[NH2+]C1 ZINC001236007860 819272839 /nfs/dbraw/zinc/27/28/39/819272839.db2.gz CKYWGKCFCQYIAG-MRXNPFEDSA-N 1 0 290.451 3.264 20 10 CGCDRO Cc1cc(CN(C)C[C@@H]2CCC[NH2+]2)c(C)n1-c1ccccc1 ZINC001236119017 819327691 /nfs/dbraw/zinc/32/76/91/819327691.db2.gz QVMCPPLNGPWZPT-SFHVURJKSA-N 1 0 297.446 3.278 20 10 CGCDRO Nc1ccc(CN(Cc2ccccc2)[C@H]2CCC[NH2+]C2)cc1 ZINC001236269894 819411756 /nfs/dbraw/zinc/41/17/56/819411756.db2.gz IZZLKCXCMXTVAW-IBGZPJMESA-N 1 0 295.430 3.023 20 10 CGCDRO CCc1ccc(C[N@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)c(O)c1 ZINC001236786402 819594783 /nfs/dbraw/zinc/59/47/83/819594783.db2.gz OSJRHFFZGCEXNG-OKILXGFUSA-N 1 0 281.346 3.432 20 10 CGCDRO CCc1ccc(C[N@H+](C)CCc2ccncc2)c(O)c1 ZINC001236790397 819594847 /nfs/dbraw/zinc/59/48/47/819594847.db2.gz WSNXZEHQRXUFQZ-UHFFFAOYSA-N 1 0 270.376 3.024 20 10 CGCDRO CCc1ccc(CN2CC[NH+](C3CCCC3)CC2)c(O)c1 ZINC001236789843 819595548 /nfs/dbraw/zinc/59/55/48/819595548.db2.gz UBGTVSPNMJQTEE-UHFFFAOYSA-N 1 0 288.435 3.015 20 10 CGCDRO CCOC1CC[NH+](Cc2c(O)cc(OC)cc2Cl)CC1 ZINC001236799321 819599361 /nfs/dbraw/zinc/59/93/61/819599361.db2.gz MPKUPYTZUDFPKN-UHFFFAOYSA-N 1 0 299.798 3.055 20 10 CGCDRO COc1cc(O)c(C[NH+]2CCCCCC2)c(Cl)c1 ZINC001236797576 819599711 /nfs/dbraw/zinc/59/97/11/819599711.db2.gz HDOHNGUFJZJCMR-UHFFFAOYSA-N 1 0 269.772 3.430 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CCCC2(C)C)c(Cl)c1 ZINC001236799005 819599863 /nfs/dbraw/zinc/59/98/63/819599863.db2.gz QSOAHWHHTXFZMR-UHFFFAOYSA-N 1 0 269.772 3.429 20 10 CGCDRO COc1cc(C)c(C[NH+]2C[C@@H]3CCCC[C@H]3C2)c(O)c1 ZINC001236806790 819601619 /nfs/dbraw/zinc/60/16/19/819601619.db2.gz BDQMPCWGXTZYQQ-KBPBESRZSA-N 1 0 275.392 3.331 20 10 CGCDRO COc1cc(C)c(C[NH+]2C[C@H]3CCCC[C@@H]3C2)c(O)c1 ZINC001236806795 819601741 /nfs/dbraw/zinc/60/17/41/819601741.db2.gz BDQMPCWGXTZYQQ-ZIAGYGMSSA-N 1 0 275.392 3.331 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CCCC[C@@H]2C)c(Cl)c1 ZINC001236803032 819602956 /nfs/dbraw/zinc/60/29/56/819602956.db2.gz LURUCBAWXKBMIU-JTQLQIEISA-N 1 0 269.772 3.429 20 10 CGCDRO COc1cc(C)c(C[NH+]2CC3(C2)CCCC3)c(O)c1 ZINC001236806785 819603151 /nfs/dbraw/zinc/60/31/51/819603151.db2.gz BDEBIGPMYXFNGW-UHFFFAOYSA-N 1 0 261.365 3.085 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CC[C@H](C(F)(F)F)C2)c(O)c1 ZINC001236811649 819604478 /nfs/dbraw/zinc/60/44/78/819604478.db2.gz USMYZAVVCTVVKE-JTQLQIEISA-N 1 0 289.297 3.093 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CC[C@@H]3CCC[C@H]3C2)c(O)c1 ZINC001236808708 819604510 /nfs/dbraw/zinc/60/45/10/819604510.db2.gz RIIITRUQZYEKET-KBPBESRZSA-N 1 0 275.392 3.331 20 10 CGCDRO C[C@@]1(O)CCC[N@H+](Cc2cc3ccccc3cc2O)CC1 ZINC001236827447 819609715 /nfs/dbraw/zinc/60/97/15/819609715.db2.gz SDLKANNCIVDMTM-GOSISDBHSA-N 1 0 285.387 3.282 20 10 CGCDRO COC[C@@H]1CCC[N@@H+]1Cc1cc2ccccc2cc1O ZINC001236827171 819610484 /nfs/dbraw/zinc/61/04/84/819610484.db2.gz QOFGKDLCILMVLW-INIZCTEOSA-N 1 0 271.360 3.156 20 10 CGCDRO Oc1cc2ccccc2cc1C[N@@H+]1CCC[C@]12CCOC2 ZINC001236832796 819611824 /nfs/dbraw/zinc/61/18/24/819611824.db2.gz LMBPCIAYGUVUCT-GOSISDBHSA-N 1 0 283.371 3.300 20 10 CGCDRO CC1(C)C[N@H+](Cc2cc3ccccc3cc2O)CCC1=O ZINC001236834409 819613496 /nfs/dbraw/zinc/61/34/96/819613496.db2.gz YNABZXVEBOOAKI-UHFFFAOYSA-N 1 0 283.371 3.346 20 10 CGCDRO CN(CC[NH+]1CCCC1)Cc1cc2ccccc2cc1O ZINC001236834525 819613884 /nfs/dbraw/zinc/61/38/84/819613884.db2.gz ZVCQKVBQRJJSOY-UHFFFAOYSA-N 1 0 284.403 3.073 20 10 CGCDRO Oc1cc2ccccc2cc1C[N@@H+]1CCN2CCCC[C@@H]2C1 ZINC001236842519 819618224 /nfs/dbraw/zinc/61/82/24/819618224.db2.gz WROZGDFXBWMQQO-GOSISDBHSA-N 1 0 296.414 3.216 20 10 CGCDRO CC(C)c1ccc(CN2CC[NH+](C3CCC3)CC2)c(O)c1 ZINC001237046304 819649691 /nfs/dbraw/zinc/64/96/91/819649691.db2.gz SWYJFRHMCKZNCR-UHFFFAOYSA-N 1 0 288.435 3.186 20 10 CGCDRO CCOc1ccc(C[N@H+](C(C)C)C2CCOCC2)c(O)c1 ZINC001237047233 819650247 /nfs/dbraw/zinc/65/02/47/819650247.db2.gz JZEDVWFRPOZQIH-UHFFFAOYSA-N 1 0 293.407 3.180 20 10 CGCDRO CC[NH+](CC)[C@@H]1CCN(Cc2ccc(C(C)C)cc2O)C1 ZINC001237048136 819651821 /nfs/dbraw/zinc/65/18/21/819651821.db2.gz DIQQPIHEKSTONS-QGZVFWFLSA-N 1 0 290.451 3.432 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2CCC[C@H]2CN(C)C)c(O)c1 ZINC001237048414 819652166 /nfs/dbraw/zinc/65/21/66/819652166.db2.gz FWDUQDKNATXNAJ-INIZCTEOSA-N 1 0 276.424 3.042 20 10 CGCDRO CC[N@H+](Cc1c(O)ccc(F)c1Cl)C1CCOCC1 ZINC001237127259 819673562 /nfs/dbraw/zinc/67/35/62/819673562.db2.gz YAEVBWKBDKJMMJ-UHFFFAOYSA-N 1 0 287.762 3.186 20 10 CGCDRO Oc1ccc(C(F)(F)F)cc1C[N@@H+]1C[C@H]2CC[C@@H]1C2 ZINC001237141004 819676851 /nfs/dbraw/zinc/67/68/51/819676851.db2.gz QZGHKFQZCLCNQV-JOYOIKCWSA-N 1 0 271.282 3.395 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@H]1Cc1ccccn1 ZINC001237489442 819761786 /nfs/dbraw/zinc/76/17/86/819761786.db2.gz HPRNEXVZAGLPAP-MRXNPFEDSA-N 1 0 282.387 3.303 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCCC[C@@](C)(F)C1 ZINC001237485796 819762056 /nfs/dbraw/zinc/76/20/56/819762056.db2.gz SUQYWXUUBVJPAN-OAHLLOKOSA-N 1 0 251.345 3.415 20 10 CGCDRO Cc1cccc(O)c1C[NH+]1CC2(C1)CC(F)(F)CS2 ZINC001237489787 819764377 /nfs/dbraw/zinc/76/43/77/819764377.db2.gz DIRCFUZPYOPNLP-UHFFFAOYSA-N 1 0 285.359 3.027 20 10 CGCDRO COc1cc(C[NH+]2[C@@H](C)CCC[C@@H]2C)c(O)c(OC)c1 ZINC001237674405 819803554 /nfs/dbraw/zinc/80/35/54/819803554.db2.gz GIEIRGRSSMBENT-RYUDHWBXSA-N 1 0 279.380 3.172 20 10 CGCDRO Cc1cc(Cl)cc(C[N@H+]2C[C@H]3[C@H](CC3(F)F)C2)c1O ZINC001237682157 819805872 /nfs/dbraw/zinc/80/58/72/819805872.db2.gz ZMMCBKGQZVQXSV-PWSUYJOCSA-N 1 0 287.737 3.441 20 10 CGCDRO Cc1cc(Cl)cc(CN2CC[C@H]([N@@H+](C)C(C)C)C2)c1O ZINC001237690220 819808642 /nfs/dbraw/zinc/80/86/42/819808642.db2.gz USPXBDHBCDOQGR-HNNXBMFYSA-N 1 0 296.842 3.269 20 10 CGCDRO Cc1cc(F)cc(C[NH+]2CCC(C)(C)CC2)c1O ZINC001238062232 819920202 /nfs/dbraw/zinc/92/02/02/819920202.db2.gz OBZWMTOBQVCIGY-UHFFFAOYSA-N 1 0 251.345 3.462 20 10 CGCDRO Cc1cc(F)cc(C[N@H+]2CCC[C@@H](C)[C@@H]2C)c1O ZINC001238060686 819920990 /nfs/dbraw/zinc/92/09/90/819920990.db2.gz FCWAHPJRJRMVNE-PWSUYJOCSA-N 1 0 251.345 3.460 20 10 CGCDRO CCN(CC[NH+]1CCCCC1)Cc1cc(F)cc(C)c1O ZINC001238071475 819924630 /nfs/dbraw/zinc/92/46/30/819924630.db2.gz YCXXMGJGGMTFJN-UHFFFAOYSA-N 1 0 294.414 3.148 20 10 CGCDRO COc1cccc(O)c1C[N@H+](C)Cc1cc(F)cc(F)c1 ZINC001339287319 936365257 /nfs/dbraw/zinc/36/52/57/936365257.db2.gz IOEARPGFKSXGPC-UHFFFAOYSA-N 1 0 293.313 3.311 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@H]1CCc2n[nH]cc2C1 ZINC001342410179 936466215 /nfs/dbraw/zinc/46/62/15/936466215.db2.gz YQLALFQODXYNIM-OSAQELSMSA-N 1 0 297.402 3.119 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]Cc1ccn(C)c1 ZINC001342407927 936466328 /nfs/dbraw/zinc/46/63/28/936466328.db2.gz UPGQAHSZAICDGC-OCCSQVGLSA-N 1 0 270.376 3.377 20 10 CGCDRO COc1cccc(C[C@H]2CCC[N@@H+]2Cc2ccc(N)cc2)c1 ZINC001356083550 937152958 /nfs/dbraw/zinc/15/29/58/937152958.db2.gz SFPGYIWTNKEBAZ-GOSISDBHSA-N 1 0 296.414 3.485 20 10 CGCDRO Cc1ccc(C)c(C[N@@H+]2CCC[C@@H](F)CC2)c1O ZINC001140178609 931957055 /nfs/dbraw/zinc/95/70/55/931957055.db2.gz QMEXNJYGQHTEQT-CYBMUJFWSA-N 1 0 251.345 3.333 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)c1 ZINC000164531110 932004176 /nfs/dbraw/zinc/00/41/76/932004176.db2.gz NZUBLPJRDSCGQA-GDBMZVCRSA-N 1 0 275.392 3.010 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)O[C@H]2C)cc1C ZINC001461682907 937592309 /nfs/dbraw/zinc/59/23/09/937592309.db2.gz IVYXDNNQVBHWJX-IJEWVQPXSA-N 1 0 277.408 3.439 20 10 CGCDRO COc1cc(C)c(C[NH2+]CC2(OC)CCCCC2)c(O)c1 ZINC001462108108 937617856 /nfs/dbraw/zinc/61/78/56/937617856.db2.gz YPWLNCCFDNDMER-UHFFFAOYSA-N 1 0 293.407 3.148 20 10 CGCDRO CCC[C@@]1([NH2+]Cc2ccc(Cl)cc2O)CCOC1 ZINC001462222385 937626203 /nfs/dbraw/zinc/62/62/03/937626203.db2.gz CWMOJVFFZVFVII-CQSZACIVSA-N 1 0 269.772 3.094 20 10 CGCDRO CC(C)([NH2+]Cc1ccc(N)cc1)c1cccc(F)c1 ZINC001335284557 932775792 /nfs/dbraw/zinc/77/57/92/932775792.db2.gz CZKFICMKIGFABY-UHFFFAOYSA-N 1 0 258.340 3.433 20 10 CGCDRO COCC[C@@H](C)C[NH2+]Cc1cc(C(C)C)ccc1O ZINC001462344899 937633932 /nfs/dbraw/zinc/63/39/32/937633932.db2.gz BNFGJFFGEQZGEP-CYBMUJFWSA-N 1 0 265.397 3.278 20 10 CGCDRO CCCC[C@H](COC)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001308277890 933086561 /nfs/dbraw/zinc/08/65/61/933086561.db2.gz VIBIOJNQXABPTF-OAHLLOKOSA-N 1 0 265.397 3.298 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+][C@@H]1C[C@H]2CCC[C@@H]21 ZINC001308548157 933129246 /nfs/dbraw/zinc/12/92/46/933129246.db2.gz WOBXBKIWXXSYHM-GBIKHYSHSA-N 1 0 251.757 3.324 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCO[C@H](Cc3ccccc3)C2)c(O)c1 ZINC001308643708 933149830 /nfs/dbraw/zinc/14/98/30/933149830.db2.gz ROTOASKBXGSDFI-GOSISDBHSA-N 1 0 297.398 3.144 20 10 CGCDRO CCC(C)(C)C[NH2+]Cc1c(C)cc(OC)cc1O ZINC001308683647 933157459 /nfs/dbraw/zinc/15/74/59/933157459.db2.gz BTQHFWZURSFNBZ-UHFFFAOYSA-N 1 0 251.370 3.235 20 10 CGCDRO COc1cc(C)c(C[NH+]2CC(C3CCCC3)C2)c(O)c1 ZINC001308810744 933182050 /nfs/dbraw/zinc/18/20/50/933182050.db2.gz YOVLOZXQAVCQOE-UHFFFAOYSA-N 1 0 275.392 3.331 20 10 CGCDRO CCO[C@@]1(C)C[C@H]1[NH2+]Cc1cc(C(C)C)ccc1O ZINC001308866565 933192591 /nfs/dbraw/zinc/19/25/91/933192591.db2.gz VCRPIAVCUGBXPP-CVEARBPZSA-N 1 0 263.381 3.173 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](C)CC(=O)OC(C)(C)C)c1 ZINC001320252417 934021269 /nfs/dbraw/zinc/02/12/69/934021269.db2.gz FOORUHAIHROKRV-CHWSQXEVSA-N 1 0 293.407 3.472 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CC[C@H](OC)C1)c1ccc(C)cc1O ZINC001321075294 934146560 /nfs/dbraw/zinc/14/65/60/934146560.db2.gz UTVYSJGBDINPDS-YDHLFZDLSA-N 1 0 263.381 3.309 20 10 CGCDRO CC1(C)CCN(Cc2cc(F)c(F)cc2O)CC(C)(C)[NH2+]1 ZINC001474755791 934158399 /nfs/dbraw/zinc/15/83/99/934158399.db2.gz RZHTXBPCAKVJRN-UHFFFAOYSA-N 1 0 298.377 3.023 20 10 CGCDRO COc1ccc(N2CCC[N@H+](CCCC3CC3)CC2)cc1 ZINC001473114848 937793233 /nfs/dbraw/zinc/79/32/33/937793233.db2.gz IGECJFALDYUQBX-UHFFFAOYSA-N 1 0 288.435 3.398 20 10 CGCDRO C[C@@H]([NH2+]C1(C)CC1)c1ccc(N2CCOCC2)cc1Cl ZINC001324965247 934878405 /nfs/dbraw/zinc/87/84/05/934878405.db2.gz JMBLYVDYCIQVDC-GFCCVEGCSA-N 1 0 294.826 3.380 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)cc1 ZINC001327830120 935087393 /nfs/dbraw/zinc/08/73/93/935087393.db2.gz IFNUYHDENWGBMZ-VHDGCEQUSA-N 1 0 280.362 3.276 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001328730724 935164033 /nfs/dbraw/zinc/16/40/33/935164033.db2.gz QHTAVNCSYHCKHY-HVNMYJMUSA-N 1 0 273.376 3.158 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+]C/C=C\C2CC2)cc1 ZINC001330721766 935316278 /nfs/dbraw/zinc/31/62/78/935316278.db2.gz RBRZYIYLXWWCPO-CIIODKQPSA-N 1 0 256.393 3.322 20 10 CGCDRO CCc1nc(C[NH2+]Cc2cc(C)cc(OC)c2O)cs1 ZINC001331553998 935393235 /nfs/dbraw/zinc/39/32/35/935393235.db2.gz RJFUQNBZXMNZPE-UHFFFAOYSA-N 1 0 292.404 3.018 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@@H](CN)C1CCCC1 ZINC001331835094 935413602 /nfs/dbraw/zinc/41/36/02/935413602.db2.gz PRIOESUIAHGDTH-YUELXQCFSA-N 1 0 288.435 3.356 20 10 CGCDRO COc1cc(C)cc(C[NH2+]CC2(C(F)(F)F)CC2)c1O ZINC001332005785 935433142 /nfs/dbraw/zinc/43/31/42/935433142.db2.gz XBFZUDDNZYVOFP-UHFFFAOYSA-N 1 0 289.297 3.141 20 10 CGCDRO CCC1([NH+]2CCCC2)CCN(Cc2ccc(N)cc2)CC1 ZINC001334753591 936112034 /nfs/dbraw/zinc/11/20/34/936112034.db2.gz HDVSWFGWRRYRLK-UHFFFAOYSA-N 1 0 287.451 3.109 20 10 CGCDRO Nc1ccc(C[N@@H+]2CCS[C@H]3CCCC[C@@H]32)cc1 ZINC001335284630 936136935 /nfs/dbraw/zinc/13/69/35/936136935.db2.gz FVRKWEWGLFNZDG-GJZGRUSLSA-N 1 0 262.422 3.129 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2nc(C)sc2C)c1 ZINC001337211026 936243673 /nfs/dbraw/zinc/24/36/73/936243673.db2.gz HHPNBHZBYZWPNY-SECBINFHSA-N 1 0 292.404 3.325 20 10 CGCDRO CCC[C@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC001473858462 937824940 /nfs/dbraw/zinc/82/49/40/937824940.db2.gz NGUPJJOVABYLTJ-KRWDZBQOSA-N 1 0 288.435 3.288 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CCC[C@@H](C)C3)C2)cc1 ZINC001474206053 937844097 /nfs/dbraw/zinc/84/40/97/937844097.db2.gz SXZICYQEOGUYFS-OAGGEKHMSA-N 1 0 288.435 3.442 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@H+]1CCS[C@H](C)[C@@H]1C ZINC001474368937 937854926 /nfs/dbraw/zinc/85/49/26/937854926.db2.gz CUIGGPPTAIIYCW-UONOGXRCSA-N 1 0 278.465 3.387 20 10 CGCDRO COc1ccc(C[NH2+]C2CCC3(CSC3)CC2)c(O)c1 ZINC001474473026 937861765 /nfs/dbraw/zinc/86/17/65/937861765.db2.gz JHAUILSSNXBNLM-UHFFFAOYSA-N 1 0 293.432 3.166 20 10 CGCDRO CCCCN(C)C[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1C ZINC001474557968 937866855 /nfs/dbraw/zinc/86/68/55/937866855.db2.gz VPGSXJNBVBOOIF-INIZCTEOSA-N 1 0 291.483 3.271 20 10 CGCDRO CCc1cccc(C[N@H+]2C[C@@H]3CC=CC[C@@H]3C2)c1O ZINC001474669660 937873981 /nfs/dbraw/zinc/87/39/81/937873981.db2.gz KWMJLZICJCYRNJ-GASCZTMLSA-N 1 0 257.377 3.353 20 10 CGCDRO Oc1cc(Cl)ccc1C[NH2+]C1([C@@H]2CCCCO2)CC1 ZINC001474721056 937877221 /nfs/dbraw/zinc/87/72/21/937877221.db2.gz NYNOHIXGBMWFOD-AWEZNQCLSA-N 1 0 281.783 3.237 20 10 CGCDRO CCCOc1ccc(C[NH2+]C[C@H](C)N(C)C2CC2)cc1C ZINC001560322382 938252958 /nfs/dbraw/zinc/25/29/58/938252958.db2.gz CQPWUIXRRAFJCB-HNNXBMFYSA-N 1 0 290.451 3.356 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@@H]2CC[C@H](OC)C2)cc1C ZINC001560441326 938258625 /nfs/dbraw/zinc/25/86/25/938258625.db2.gz YEGQEGCWDYJULT-CVEARBPZSA-N 1 0 277.408 3.441 20 10 CGCDRO Oc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC001560628419 938266810 /nfs/dbraw/zinc/26/68/10/938266810.db2.gz JYNJQNYAQXLLGU-GFCCVEGCSA-N 1 0 291.782 3.148 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+][C@H]2CS[C@@H](C)C2)c1 ZINC001560887757 938282095 /nfs/dbraw/zinc/28/20/95/938282095.db2.gz WWHJVWIYLNNYOQ-SMDDNHRTSA-N 1 0 265.422 3.499 20 10 CGCDRO COc1cccc(F)c1C[NH2+]Cc1ccc(Cl)cc1O ZINC001561026508 938290208 /nfs/dbraw/zinc/29/02/08/938290208.db2.gz GSXFOMNPAFLJLP-UHFFFAOYSA-N 1 0 295.741 3.483 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCOC[C@H]2CC(C)C)c1O ZINC001308630185 958798143 /nfs/dbraw/zinc/79/81/43/958798143.db2.gz ZRMSJUVUGNXGBY-MRXNPFEDSA-N 1 0 277.408 3.202 20 10 CGCDRO C[C@H](O)CC[N@H+](C)Cc1cc(-c2ccccc2)ccc1O ZINC000093481361 345879534 /nfs/dbraw/zinc/87/95/34/345879534.db2.gz XUBCBJXFDJEULC-AWEZNQCLSA-N 1 0 285.387 3.262 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCOC2CCCC2)c(O)c1 ZINC000104449970 186006674 /nfs/dbraw/zinc/00/66/74/186006674.db2.gz QSTLSMTVQJQYSQ-ZDUSSCGKSA-N 1 0 263.381 3.310 20 10 CGCDRO CC[C@@H](CSC)[N@H+](C)Cc1cccc(C)c1O ZINC000290310371 522602041 /nfs/dbraw/zinc/60/20/41/522602041.db2.gz CDCWSMDWPONGOS-ZDUSSCGKSA-N 1 0 253.411 3.274 20 10 CGCDRO C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccc(F)cc1[O-] ZINC000062747763 296114896 /nfs/dbraw/zinc/11/48/96/296114896.db2.gz UDVBSBQRAORFFB-GFCCVEGCSA-N 1 0 294.414 3.445 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H](C)Cn1ccnc1C)c1ccccc1O ZINC000124568443 370925918 /nfs/dbraw/zinc/92/59/18/370925918.db2.gz ZKPCEAXNLUIAGZ-XJKSGUPXSA-N 1 0 287.407 3.274 20 10 CGCDRO C[C@@H]([NH2+]CCc1ccccc1F)c1ccccc1O ZINC000019912679 368781464 /nfs/dbraw/zinc/78/14/64/368781464.db2.gz VJOKFLKTLIXVRS-GFCCVEGCSA-N 1 0 259.324 3.425 20 10 CGCDRO Cc1ccccc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000037719132 369101675 /nfs/dbraw/zinc/10/16/75/369101675.db2.gz DEMOICMFDUYARP-UHFFFAOYSA-N 1 0 253.345 3.220 20 10 CGCDRO Cc1cc(C[C@H](C)[NH2+][C@H](C)c2ccc(N(C)C)cc2)[nH]n1 ZINC000090531845 370062318 /nfs/dbraw/zinc/06/23/18/370062318.db2.gz WEYULYPSJRMYDL-GXTWGEPZSA-N 1 0 286.423 3.066 20 10 CGCDRO COC(=O)c1ccc(C[N@H+](C)Cc2cc(C)ccc2O)cc1 ZINC000091829918 370077035 /nfs/dbraw/zinc/07/70/35/370077035.db2.gz XYTMWUKTWNOLMH-UHFFFAOYSA-N 1 0 299.370 3.119 20 10 CGCDRO CC(C)C[NH+]1CCC(NCc2c(O)cccc2Cl)CC1 ZINC000113319561 370471669 /nfs/dbraw/zinc/47/16/69/370471669.db2.gz AGTNUDRUQXUHRQ-UHFFFAOYSA-N 1 0 296.842 3.256 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C2(C)CCOCC2)cc1 ZINC000131189826 371089483 /nfs/dbraw/zinc/08/94/83/371089483.db2.gz WUHMCOUMGMQWIS-UHFFFAOYSA-N 1 0 276.424 3.192 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 ZINC000134784254 371364466 /nfs/dbraw/zinc/36/44/66/371364466.db2.gz WWPUIRQYOUODPK-PYTWLRIVSA-N 1 0 287.403 3.309 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCc3sccc3C2)c1O ZINC000138547729 371504983 /nfs/dbraw/zinc/50/49/83/371504983.db2.gz LQKVSAZRTFKJBF-UHFFFAOYSA-N 1 0 259.374 3.320 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCOC[C@H]2C)c1 ZINC000286941347 371577981 /nfs/dbraw/zinc/57/79/81/371577981.db2.gz BDWHJAPDCUZVDU-HZSPNIEDSA-N 1 0 263.381 3.024 20 10 CGCDRO CCOc1cccc(C[NH2+][C@H]2c3ccccc3O[C@@H]2C)c1O ZINC000288710344 371744103 /nfs/dbraw/zinc/74/41/03/371744103.db2.gz ZDVPOVXPVMMDGR-SJKOYZFVSA-N 1 0 299.370 3.403 20 10 CGCDRO CCC[C@@H](C[NH2+][C@@H](C)c1ccc(C)cc1O)OC ZINC000293643308 372434654 /nfs/dbraw/zinc/43/46/54/372434654.db2.gz JXOFRXDMXFNFDX-STQMWFEESA-N 1 0 251.370 3.166 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2c3ccccc3C[C@@H]2O)c(O)c1 ZINC000293748220 372467935 /nfs/dbraw/zinc/46/79/35/372467935.db2.gz NYTUHIHRSCWKST-SOVGHPHASA-N 1 0 297.398 3.318 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](CO)c2ccccc2)c(O)c1 ZINC000294700957 372668321 /nfs/dbraw/zinc/66/83/21/372668321.db2.gz JANMBMYRSXXIOD-NVXWUHKLSA-N 1 0 299.414 3.436 20 10 CGCDRO Cc1nccnc1CC[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000295011193 372686728 /nfs/dbraw/zinc/68/67/28/372686728.db2.gz MTPIYDHTMMYVRR-JTQLQIEISA-N 1 0 291.782 3.037 20 10 CGCDRO CC[C@@H]([NH2+][C@H](C)c1ccc(N(C)CC)cc1)C(C)(C)O ZINC000295016640 372687012 /nfs/dbraw/zinc/68/70/12/372687012.db2.gz NEUYZAGIHLEDTO-CZUORRHYSA-N 1 0 278.440 3.343 20 10 CGCDRO CCC1([NH2+]Cc2cc(OC)c(OC)cc2O)CCCC1 ZINC000295059349 372691008 /nfs/dbraw/zinc/69/10/08/372691008.db2.gz OCOYYGLBGYYBKT-UHFFFAOYSA-N 1 0 279.380 3.222 20 10 CGCDRO CC[C@H]([NH2+]CCC(C)(C)CO)c1ccc(C)cc1O ZINC000295851789 372934733 /nfs/dbraw/zinc/93/47/33/372934733.db2.gz BAKZAHCYHXIOME-AWEZNQCLSA-N 1 0 265.397 3.150 20 10 CGCDRO CCC1([NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000296534142 373168478 /nfs/dbraw/zinc/16/84/78/373168478.db2.gz QQGRNTKXAHAPTK-CYBMUJFWSA-N 1 0 292.398 3.256 20 10 CGCDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296807945 373247826 /nfs/dbraw/zinc/24/78/26/373247826.db2.gz LTKWDZYZTWQIHZ-ZDUSSCGKSA-N 1 0 284.315 3.078 20 10 CGCDRO COc1cc(C[NH2+][C@@H]2CCc3cccc(O)c32)ccc1C ZINC000297880437 373284000 /nfs/dbraw/zinc/28/40/00/373284000.db2.gz UZVBXBHEJFEZQA-OAHLLOKOSA-N 1 0 283.371 3.486 20 10 CGCDRO Cc1ccccc1[C@@H](O)C[NH2+][C@H](C)c1ccccc1O ZINC000179903153 373936398 /nfs/dbraw/zinc/93/63/98/373936398.db2.gz VXPIMZDYOQUMMB-DYVFJYSZSA-N 1 0 271.360 3.085 20 10 CGCDRO C[C@H]([NH2+][C@@H](Cc1ccccc1)CN(C)C)c1ccccc1O ZINC000183435089 374414251 /nfs/dbraw/zinc/41/42/51/374414251.db2.gz LIYHTNIHTBCFAX-RDJZCZTQSA-N 1 0 298.430 3.216 20 10 CGCDRO C[C@@H]([NH2+]C[C@](C)(O)c1cccs1)c1ccccc1O ZINC000183524362 374424333 /nfs/dbraw/zinc/42/43/33/374424333.db2.gz DBBBKHXHJZEVHS-ABAIWWIYSA-N 1 0 277.389 3.012 20 10 CGCDRO COC[C@H]([NH2+][C@H](C)c1ccccc1O)c1ccccc1 ZINC000183604607 374431766 /nfs/dbraw/zinc/43/17/66/374431766.db2.gz VROWJNIDCSLAID-CJNGLKHVSA-N 1 0 271.360 3.431 20 10 CGCDRO COCCC(C)(C)C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000183933761 374476497 /nfs/dbraw/zinc/47/64/97/374476497.db2.gz YTEBCVUMESPEGP-GFCCVEGCSA-N 1 0 281.396 3.114 20 10 CGCDRO CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(F)cc2[O-])C1 ZINC000185358061 374646962 /nfs/dbraw/zinc/64/69/62/374646962.db2.gz AOGBEMOYYXGCTA-UONOGXRCSA-N 1 0 294.414 3.302 20 10 CGCDRO C[C@H]([NH2+]Cc1cccc(CO)c1)c1cc(Cl)ccc1O ZINC000185372941 374650816 /nfs/dbraw/zinc/65/08/16/374650816.db2.gz COCDPEOZPUGGFY-NSHDSACASA-N 1 0 291.778 3.389 20 10 CGCDRO CC(C)=CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000188442375 375214470 /nfs/dbraw/zinc/21/44/70/375214470.db2.gz MORDVFJPCKNKKO-AWEZNQCLSA-N 1 0 292.398 3.279 20 10 CGCDRO COCCC1CC[NH+](Cc2cc(C)cc(C)c2O)CC1 ZINC000530096115 375938828 /nfs/dbraw/zinc/93/88/28/375938828.db2.gz JOULPIPNVDTKJJ-UHFFFAOYSA-N 1 0 277.408 3.258 20 10 CGCDRO CC[C@@](C)(CCO)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000230222329 376494992 /nfs/dbraw/zinc/49/49/92/376494992.db2.gz ZVKXBQBUBALCAF-ZDUSSCGKSA-N 1 0 292.206 3.340 20 10 CGCDRO Cc1csc(C2([NH2+]Cc3ccccc3O)CCC2)n1 ZINC000263651889 377949600 /nfs/dbraw/zinc/94/96/00/377949600.db2.gz DIRHISHRSJQZDL-UHFFFAOYSA-N 1 0 274.389 3.326 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CC[C@H](C)OC)cc1 ZINC000268861501 378133949 /nfs/dbraw/zinc/13/39/49/378133949.db2.gz RQDJZJWACZSUJM-KBPBESRZSA-N 1 0 264.413 3.218 20 10 CGCDRO CCC[C@H](O)C[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000268889156 378144581 /nfs/dbraw/zinc/14/45/81/378144581.db2.gz NLKPAFLYYQXAOO-QAPCUYQASA-N 1 0 290.451 3.489 20 10 CGCDRO C[C@@H]([NH2+]CCOc1ccc(F)cc1)c1ccccc1O ZINC000271694796 378501520 /nfs/dbraw/zinc/50/15/20/378501520.db2.gz SEBUQIMNAAILMY-GFCCVEGCSA-N 1 0 275.323 3.261 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)c1 ZINC000271794291 378505009 /nfs/dbraw/zinc/50/50/09/378505009.db2.gz HRCKNABSGXABIB-BBRMVZONSA-N 1 0 293.407 3.084 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+][C@H]2CCO[C@H](C)C2)c1O ZINC000271828039 378510070 /nfs/dbraw/zinc/51/00/70/378510070.db2.gz OIHULQMHYOWYAI-MFKMUULPSA-N 1 0 269.772 3.011 20 10 CGCDRO Oc1ccc(F)cc1C[N@@H+]1CCc2ccsc2C1 ZINC000272231735 378591385 /nfs/dbraw/zinc/59/13/85/378591385.db2.gz DYIXOTYIUCEIFL-UHFFFAOYSA-N 1 0 263.337 3.151 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)CCc2ccccc2)c1 ZINC000273392500 378744189 /nfs/dbraw/zinc/74/41/89/378744189.db2.gz DTFWPPSMUQQUOZ-DOTOQJQBSA-N 1 0 299.414 3.345 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCCCO2)c(O)c1 ZINC000273467839 378748044 /nfs/dbraw/zinc/74/80/44/378748044.db2.gz JGBBPFXIJGADMZ-WOSRLPQWSA-N 1 0 263.381 3.309 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCc2ccncc2C)c(O)c1 ZINC000273466546 378749030 /nfs/dbraw/zinc/74/90/30/378749030.db2.gz IZWMTQALZFMSBT-AWEZNQCLSA-N 1 0 270.376 3.297 20 10 CGCDRO C[C@@H](CO)CCC[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000273485472 378750478 /nfs/dbraw/zinc/75/04/78/378750478.db2.gz NCGHPINSOASKLD-MNOVXSKESA-N 1 0 271.788 3.105 20 10 CGCDRO C[C@@H]([NH2+]CCc1ccncc1)c1cc(Cl)ccc1O ZINC000273584497 378753801 /nfs/dbraw/zinc/75/38/01/378753801.db2.gz NLVMJVQAUGTRQK-LLVKDONJSA-N 1 0 276.767 3.334 20 10 CGCDRO CO[C@H](C)CC[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000273584359 378754809 /nfs/dbraw/zinc/75/48/09/378754809.db2.gz NJKUDUOGJOVERA-OLZOCXBDSA-N 1 0 277.408 3.347 20 10 CGCDRO CSCCC[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000273598082 378756433 /nfs/dbraw/zinc/75/64/33/378756433.db2.gz RDAWWXWCUOTOEO-LBPRGKRZSA-N 1 0 253.411 3.413 20 10 CGCDRO CCOc1cccc(C[NH2+]CC[C@@H]2CCO[C@H](C)C2)c1O ZINC000273005160 378733240 /nfs/dbraw/zinc/73/32/40/378733240.db2.gz AVXRWZUSOXYYAU-ZIAGYGMSSA-N 1 0 293.407 3.086 20 10 CGCDRO Cn1cc(-c2ccccc2C[NH2+]Cc2ccccc2O)cn1 ZINC000372864369 379203988 /nfs/dbraw/zinc/20/39/88/379203988.db2.gz VNKUXHWJNNJXFS-UHFFFAOYSA-N 1 0 293.370 3.083 20 10 CGCDRO CC[C@@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1ccc(C)cc1O ZINC000373564126 379300649 /nfs/dbraw/zinc/30/06/49/379300649.db2.gz RKDMNKHGUSECOH-DZGCQCFKSA-N 1 0 285.391 3.022 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCCC12CCOCC2)c1ccccc1O ZINC000282465814 379927272 /nfs/dbraw/zinc/92/72/72/379927272.db2.gz GEIDONGSZPLLRF-CZUORRHYSA-N 1 0 275.392 3.392 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CCCC23CCOCC3)cc1C ZINC000282721177 379976281 /nfs/dbraw/zinc/97/62/81/379976281.db2.gz QKDMSXUUEIJAEZ-QGZVFWFLSA-N 1 0 289.419 3.443 20 10 CGCDRO C[N@H+](CCSC(C)(C)C)Cc1ccccc1O ZINC000284373396 380139210 /nfs/dbraw/zinc/13/92/10/380139210.db2.gz LLXUDTBGGSKBEX-UHFFFAOYSA-N 1 0 253.411 3.356 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCC[C@H](C)CO)c(O)c1 ZINC000285341925 380147403 /nfs/dbraw/zinc/14/74/03/380147403.db2.gz UURRTMODMBRURG-FZMZJTMJSA-N 1 0 265.397 3.068 20 10 CGCDRO Cc1cc(C[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)n(C)n1 ZINC000284076505 380122736 /nfs/dbraw/zinc/12/27/36/380122736.db2.gz AYQBPGYNHUVSPF-CYBMUJFWSA-N 1 0 299.418 3.164 20 10 CGCDRO CCC[N@@H+]1CC[C@H](C[NH2+][C@H](CC)c2ccc(F)cc2[O-])C1 ZINC000286319108 380195516 /nfs/dbraw/zinc/19/55/16/380195516.db2.gz XNGVNUHWYSTCAO-CZUORRHYSA-N 1 0 294.414 3.304 20 10 CGCDRO Cc1ccnc([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2)c1 ZINC000285625708 380150207 /nfs/dbraw/zinc/15/02/07/380150207.db2.gz KZZXWNZITDCMPJ-CQSZACIVSA-N 1 0 269.392 3.307 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCc2c[nH]nc2C1)c1ccc(C)cc1O ZINC000366442030 382308691 /nfs/dbraw/zinc/30/86/91/382308691.db2.gz DVCLXTVWIVYVKX-ZFWWWQNUSA-N 1 0 285.391 3.022 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)c1ccc(C)cc1O ZINC000368101817 382364566 /nfs/dbraw/zinc/36/45/66/382364566.db2.gz LQOPYDXADKEGER-OCCSQVGLSA-N 1 0 285.391 3.022 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CCCC[C@H](COC)C2)c1 ZINC000368666024 382380365 /nfs/dbraw/zinc/38/03/65/382380365.db2.gz JNAPNYAZAHITLL-AWEZNQCLSA-N 1 0 293.407 3.039 20 10 CGCDRO CCOc1cccc(C[N@H+](CCCO)CC(C)(C)C)c1O ZINC000093146127 392236132 /nfs/dbraw/zinc/23/61/32/392236132.db2.gz PGEFGXSOZBYFOW-UHFFFAOYSA-N 1 0 295.423 3.021 20 10 CGCDRO CCOc1ccc(O)c(C[NH+]2C[C@@H]3CCC[C@H]3C2)c1 ZINC000093443460 392237615 /nfs/dbraw/zinc/23/76/15/392237615.db2.gz GPXFRYOXSXHLMZ-STQMWFEESA-N 1 0 261.365 3.023 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)c1 ZINC000093443458 392237880 /nfs/dbraw/zinc/23/78/80/392237880.db2.gz GPXFRYOXSXHLMZ-BETUJISGSA-N 1 0 261.365 3.023 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC3(CCC3)C2)c1 ZINC000093455976 392237914 /nfs/dbraw/zinc/23/79/14/392237914.db2.gz FPSOFGQGOBQRGE-UHFFFAOYSA-N 1 0 261.365 3.167 20 10 CGCDRO CSC[C@@H]1CCC[N@@H+]1Cc1cc(C)ccc1O ZINC000093761431 392239600 /nfs/dbraw/zinc/23/96/00/392239600.db2.gz YFAPUWGWJSITBO-ZDUSSCGKSA-N 1 0 251.395 3.028 20 10 CGCDRO C[N@H+](CCCCC1CCOCC1)Cc1ccccc1O ZINC000281950697 392261716 /nfs/dbraw/zinc/26/17/16/392261716.db2.gz JOBZYKKNCXHQKN-UHFFFAOYSA-N 1 0 277.408 3.421 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1cncs1 ZINC000122926034 392425147 /nfs/dbraw/zinc/42/51/47/392425147.db2.gz GLPYSRARNHCTNG-LBPRGKRZSA-N 1 0 287.432 3.376 20 10 CGCDRO CCOCC(C)(C)C[NH2+][C@@H](CC)c1ccccc1O ZINC000290459065 392448291 /nfs/dbraw/zinc/44/82/91/392448291.db2.gz WIEOPSLMIGXWID-AWEZNQCLSA-N 1 0 265.397 3.496 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1cccc(Cl)c1[O-] ZINC000293630308 392526629 /nfs/dbraw/zinc/52/66/29/392526629.db2.gz KERSTGWBAOIVBC-SMDDNHRTSA-N 1 0 284.831 3.284 20 10 CGCDRO CO[C@H](C)CC[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000293759519 392527092 /nfs/dbraw/zinc/52/70/92/392527092.db2.gz OUAVXDHSZJKBOC-OLZOCXBDSA-N 1 0 251.370 3.085 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)c1ccc(N(C)C)cc1 ZINC000374469354 392679680 /nfs/dbraw/zinc/67/96/80/392679680.db2.gz QBLAWPILYOAXHH-NVXWUHKLSA-N 1 0 298.434 3.074 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@H](C)CC(C)(C)OC)c(O)c1 ZINC000174556742 392643352 /nfs/dbraw/zinc/64/33/52/392643352.db2.gz LPEMLAZWFNMBLE-CYBMUJFWSA-N 1 0 295.423 3.474 20 10 CGCDRO CO[C@@H](C)C[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000191207136 392824435 /nfs/dbraw/zinc/82/44/35/392824435.db2.gz QZNBFAXOAGVMCW-RYUDHWBXSA-N 1 0 259.349 3.231 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCCc2nn(C)cc21)c1ccc(N(C)C)cc1 ZINC000280286119 393340617 /nfs/dbraw/zinc/34/06/17/393340617.db2.gz YXZRBQKQVUEZQI-GUYCJALGSA-N 1 0 298.434 3.214 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2cccnc2)c1 ZINC000020127702 171014053 /nfs/dbraw/zinc/01/40/53/171014053.db2.gz DIOGBOWWXOQRIO-NEPJUHHUSA-N 1 0 272.348 3.208 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cccs2)c1 ZINC000020139213 171026323 /nfs/dbraw/zinc/02/63/23/171026323.db2.gz PZXBBVHWAVBQNH-JTQLQIEISA-N 1 0 263.362 3.313 20 10 CGCDRO CC(C)C[C@@H](C[NH2+][C@H](C)c1ccccc1O)N(C)C ZINC000020201338 171065727 /nfs/dbraw/zinc/06/57/27/171065727.db2.gz WLZLBTBDEKFFDD-KGLIPLIRSA-N 1 0 264.413 3.019 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)c1cnn(C)c1C)c1ccccc1O ZINC000037167531 260072687 /nfs/dbraw/zinc/07/26/87/260072687.db2.gz RZRCPGXACJMRCY-NHYWBVRUSA-N 1 0 273.380 3.236 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](C)c1cnn(C)c1C)c1ccccc1O ZINC000037167532 260073015 /nfs/dbraw/zinc/07/30/15/260073015.db2.gz RZRCPGXACJMRCY-XHDPSFHLSA-N 1 0 273.380 3.236 20 10 CGCDRO COCCC1(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000090536343 260260712 /nfs/dbraw/zinc/26/07/12/260260712.db2.gz WCVJBHHVMHTIPL-AWEZNQCLSA-N 1 0 276.424 3.220 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc(F)cn1 ZINC000092195435 260267545 /nfs/dbraw/zinc/26/75/45/260267545.db2.gz XRLHPCXKIHSMFZ-LBPRGKRZSA-N 1 0 273.355 3.138 20 10 CGCDRO COCCC[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000151690754 261054377 /nfs/dbraw/zinc/05/43/77/261054377.db2.gz ZRSFEVYCFBFLKX-HNNXBMFYSA-N 1 0 276.424 3.364 20 10 CGCDRO C[C@@H](CCO)[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000151920371 261057295 /nfs/dbraw/zinc/05/72/95/261057295.db2.gz VNKAGAXUKGDKAE-KBPBESRZSA-N 1 0 294.414 3.238 20 10 CGCDRO COC[C@@H](C)[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000157521307 261147645 /nfs/dbraw/zinc/14/76/45/261147645.db2.gz WGHOYCPJGMQVPG-OAHLLOKOSA-N 1 0 276.424 3.047 20 10 CGCDRO Cc1ccccc1[C@H](O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000163201422 261309535 /nfs/dbraw/zinc/30/95/35/261309535.db2.gz HHTVBEBMIUYXCG-HNAYVOBHSA-N 1 0 298.430 3.445 20 10 CGCDRO C[C@H]([NH2+]CC1(C)COC1)c1ccc(N2CCCCC2)cc1 ZINC000164352368 261349182 /nfs/dbraw/zinc/34/91/82/261349182.db2.gz OUARMJXCFSZBJY-HNNXBMFYSA-N 1 0 288.435 3.364 20 10 CGCDRO C[C@@H]([NH2+]CCc1ccccn1)c1cc(Cl)ccc1O ZINC000184839201 262030584 /nfs/dbraw/zinc/03/05/84/262030584.db2.gz ZHLLJKVEQQNDDB-LLVKDONJSA-N 1 0 276.767 3.334 20 10 CGCDRO CCOCCC[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000184830633 262030978 /nfs/dbraw/zinc/03/09/78/262030978.db2.gz BFTUNFJBPGBXBF-SNVBAGLBSA-N 1 0 257.761 3.123 20 10 CGCDRO CCC[C@@H](O)C[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000185436997 262054558 /nfs/dbraw/zinc/05/45/58/262054558.db2.gz WKIMAYFMAUBRDA-IUODEOHRSA-N 1 0 277.408 3.083 20 10 CGCDRO CCC[C@@H](CCO)C[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000185605324 262061522 /nfs/dbraw/zinc/06/15/22/262061522.db2.gz LSZWNNAUARPJBX-RYUDHWBXSA-N 1 0 285.815 3.495 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](CCO)CC(C)C)c1 ZINC000185614673 262062505 /nfs/dbraw/zinc/06/25/05/262062505.db2.gz IWMIAXAOQCMQRN-CABCVRRESA-N 1 0 279.424 3.396 20 10 CGCDRO CO[C@H](C[NH2+][C@@H](C)c1ccc(C)cc1O)C(C)(C)C ZINC000185617839 262062954 /nfs/dbraw/zinc/06/29/54/262062954.db2.gz INCLHPYHNNGRGR-SWLSCSKDSA-N 1 0 265.397 3.412 20 10 CGCDRO Cc1cccc([C@H](O)C[NH2+][C@H](C)c2cc(C)ccc2O)c1 ZINC000186124434 262081034 /nfs/dbraw/zinc/08/10/34/262081034.db2.gz JWXVHINQZXTNAY-RDTXWAMCSA-N 1 0 285.387 3.393 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CCCC3(CC3)C2)c1 ZINC000186624924 262102747 /nfs/dbraw/zinc/10/27/47/262102747.db2.gz UGMKQYHPPMKRDC-UHFFFAOYSA-N 1 0 261.365 3.167 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)c2ccsc2)c1 ZINC000185512873 262305832 /nfs/dbraw/zinc/30/58/32/262305832.db2.gz RZEZWZCIXKMGGL-XHDPSFHLSA-N 1 0 277.389 3.146 20 10 CGCDRO CC(C)[NH2+]C1CCN(Cc2c(O)cccc2Cl)CC1 ZINC000271171450 262994159 /nfs/dbraw/zinc/99/41/59/262994159.db2.gz LZMOPGZAGNPUES-UHFFFAOYSA-N 1 0 282.815 3.008 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)[C@H](O)c1cccc(F)c1 ZINC000272903408 263009750 /nfs/dbraw/zinc/00/97/50/263009750.db2.gz VIWCYCFGXSMNCL-JKDFXYPNSA-N 1 0 289.350 3.304 20 10 CGCDRO CO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000276885648 263038442 /nfs/dbraw/zinc/03/84/42/263038442.db2.gz GTWJZLVGSCLQHY-OASPWFOLSA-N 1 0 285.334 3.279 20 10 CGCDRO C[C@H]([NH2+]CCF)c1ccc(N2CCCCC2)cc1 ZINC000280984670 263065575 /nfs/dbraw/zinc/06/55/75/263065575.db2.gz JHQSAXMUOJSGJO-ZDUSSCGKSA-N 1 0 250.361 3.297 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000367689428 267109974 /nfs/dbraw/zinc/10/99/74/267109974.db2.gz VLLOSPLZSNRBAJ-CABCVRRESA-N 1 0 275.392 3.031 20 10 CGCDRO CO[C@@H]1CC[N@H+](Cc2cc(Cl)cc(C)c2O)[C@H](C)C1 ZINC000282441350 274064284 /nfs/dbraw/zinc/06/42/84/274064284.db2.gz UMAVDZZJHBWIAP-BXUZGUMPSA-N 1 0 283.799 3.353 20 10 CGCDRO CCN(C)CC[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000054109887 276071872 /nfs/dbraw/zinc/07/18/72/276071872.db2.gz LSKZZYDCLGJAQO-ZDUSSCGKSA-N 1 0 272.392 3.148 20 10 CGCDRO C[C@H](COCC(F)(F)F)[NH2+][C@H](C)c1ccccc1O ZINC000272854983 328200908 /nfs/dbraw/zinc/20/09/08/328200908.db2.gz LRNXAMZAVFNPLW-NXEZZACHSA-N 1 0 277.286 3.010 20 10 CGCDRO CO[C@@H](C)[C@@H](C)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000290047165 328257731 /nfs/dbraw/zinc/25/77/31/328257731.db2.gz DWTGPLRIPKOTSY-AGIUHOORSA-N 1 0 277.408 3.345 20 10 CGCDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000378492134 329052530 /nfs/dbraw/zinc/05/25/30/329052530.db2.gz GHUSVVPWZYDVNF-LLVKDONJSA-N 1 0 261.296 3.114 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+][C@H]2CCCSC2)c1O ZINC000169091124 329063727 /nfs/dbraw/zinc/06/37/27/329063727.db2.gz VJOPKZMZKGDWTA-NSHDSACASA-N 1 0 287.812 3.039 20 10 CGCDRO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](Cc2ccccc2O)C1 ZINC000185230322 329269252 /nfs/dbraw/zinc/26/92/52/329269252.db2.gz ASYWHVBXOWNPBB-CJNGLKHVSA-N 1 0 268.360 3.370 20 10 CGCDRO C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])c1cn[nH]c1 ZINC000229883176 329358364 /nfs/dbraw/zinc/35/83/64/329358364.db2.gz RPAFTLXQOUYHIM-SSDOTTSWSA-N 1 0 286.162 3.273 20 10 CGCDRO CSCCCCCC[NH2+]Cc1ccccc1O ZINC000230148775 329362996 /nfs/dbraw/zinc/36/29/96/329362996.db2.gz BCIPOJDXPKDCCM-UHFFFAOYSA-N 1 0 253.411 3.405 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1O)c1ccccc1O ZINC000305780648 329536521 /nfs/dbraw/zinc/53/65/21/329536521.db2.gz OIDZKEGVCACLKC-LZLYRXPVSA-N 1 0 283.371 3.091 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1CCN1C1CCCC1)c1cc(F)ccc1O ZINC000528001786 330300225 /nfs/dbraw/zinc/30/02/25/330300225.db2.gz NIUYODAJXAMAFX-SWLSCSKDSA-N 1 0 292.398 3.199 20 10 CGCDRO CC[C@@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1ccc(N(C)C)cc1 ZINC000090454743 330392705 /nfs/dbraw/zinc/39/27/05/330392705.db2.gz CYMOMGIPWYTGNP-DOTOQJQBSA-N 1 0 298.434 3.074 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)N[C@@H]2CC[NH2+]C23CCC3)c1O ZINC000530215516 333528219 /nfs/dbraw/zinc/52/82/19/333528219.db2.gz GZTAOXYOLUVEKC-BXUZGUMPSA-N 1 0 294.826 3.289 20 10 CGCDRO CC(C)COCCC[NH2+][C@H](C)c1cc(F)ccc1O ZINC000094616952 519754338 /nfs/dbraw/zinc/75/43/38/519754338.db2.gz KFOJCWZUXVAINO-GFCCVEGCSA-N 1 0 269.360 3.245 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCOC[C@@H]2C)cc1 ZINC000278634138 520289892 /nfs/dbraw/zinc/28/98/92/520289892.db2.gz SCJNRGDHYCNGHW-GRDNDAEWSA-N 1 0 276.424 3.218 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCSC2)cc1 ZINC000271542948 520290814 /nfs/dbraw/zinc/29/08/14/520290814.db2.gz UPMKDEXZRKOXCX-JSGCOSHPSA-N 1 0 264.438 3.299 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCOC[C@H]2C)cc1 ZINC000278634143 520291042 /nfs/dbraw/zinc/29/10/42/520291042.db2.gz SCJNRGDHYCNGHW-JKIFEVAISA-N 1 0 276.424 3.218 20 10 CGCDRO CCC[C@H]([NH2+]Cc1ccccc1O)[C@H](O)c1ccccc1 ZINC000279712701 521164042 /nfs/dbraw/zinc/16/40/42/521164042.db2.gz SUBVGQDDPNUIBE-FUHWJXTLSA-N 1 0 285.387 3.384 20 10 CGCDRO CCOC1CC(CC[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000276734270 521645002 /nfs/dbraw/zinc/64/50/02/521645002.db2.gz RCFWWXYWKKLGHO-UHFFFAOYSA-N 1 0 277.408 3.298 20 10 CGCDRO CCC(O)(CC)CC[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000276207896 521652190 /nfs/dbraw/zinc/65/21/90/521652190.db2.gz ANEIFDOEYFAOFD-ZDUSSCGKSA-N 1 0 265.397 3.292 20 10 CGCDRO CCc1ccccc1C[NH2+]Cc1cc(OC)ccc1O ZINC000084200088 521839721 /nfs/dbraw/zinc/83/97/21/521839721.db2.gz MGBCVORVATXFIG-UHFFFAOYSA-N 1 0 271.360 3.253 20 10 CGCDRO CN(C)c1ccc(CNc2cccc(C[NH+](C)C)c2)cc1 ZINC000036979549 521930511 /nfs/dbraw/zinc/93/05/11/521930511.db2.gz FZMHXWLFNVCPNG-UHFFFAOYSA-N 1 0 283.419 3.426 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccnc(OC)c1)c1ccccc1O ZINC000062057792 522659010 /nfs/dbraw/zinc/65/90/10/522659010.db2.gz MBDAOSPVVWIPIS-AWEZNQCLSA-N 1 0 272.348 3.037 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CC(C)(C)[C@@H]2C2CC2)cc1OC ZINC000291519991 522771596 /nfs/dbraw/zinc/77/15/96/522771596.db2.gz JAZMSTUHHXOXDV-INIZCTEOSA-N 1 0 291.391 3.030 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H]1CCc2nccn2C1)c1ccc(C)cc1O ZINC000279964158 522855738 /nfs/dbraw/zinc/85/57/38/522855738.db2.gz CNXOAGDRQPUQBI-GOEBONIOSA-N 1 0 299.418 3.200 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](C)[C@@H](C)OC)c1ccc(C)cc1O ZINC000280038668 522911449 /nfs/dbraw/zinc/91/14/49/522911449.db2.gz ISSCKJQBEZELRR-OUCADQQQSA-N 1 0 251.370 3.165 20 10 CGCDRO C[N@H+](Cc1cc2c(cc1O)OCO2)C1CCC(F)(F)CC1 ZINC000290229711 523184976 /nfs/dbraw/zinc/18/49/76/523184976.db2.gz STPSEDXYUYSDEA-UHFFFAOYSA-N 1 0 299.317 3.131 20 10 CGCDRO C[N@H+](Cc1ccccc1O)C1CCC(F)(F)CC1 ZINC000289375846 523385333 /nfs/dbraw/zinc/38/53/33/523385333.db2.gz BJTJNVCGKMSFFA-UHFFFAOYSA-N 1 0 255.308 3.402 20 10 CGCDRO CCn1nccc1C1CC[NH+](Cc2cccc(C)c2O)CC1 ZINC000279419616 523710376 /nfs/dbraw/zinc/71/03/76/523710376.db2.gz NELMFMARQYDPPO-UHFFFAOYSA-N 1 0 299.418 3.297 20 10 CGCDRO CC[C@H](C)C[C@H](C)[NH2+]Cc1cccc(OC)c1O ZINC000088292937 523902494 /nfs/dbraw/zinc/90/24/94/523902494.db2.gz FWOMTANYTAQHBY-RYUDHWBXSA-N 1 0 251.370 3.315 20 10 CGCDRO Cc1cccc(NCCCSc2nccs2)[nH+]1 ZINC000157553627 524672742 /nfs/dbraw/zinc/67/27/42/524672742.db2.gz GTEGTGPSZKCRQR-UHFFFAOYSA-N 1 0 265.407 3.441 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCC(F)(F)C2)c1 ZINC000281080586 524762120 /nfs/dbraw/zinc/76/21/20/524762120.db2.gz JGYSDOFJOVKRBI-GHMZBOCLSA-N 1 0 285.334 3.487 20 10 CGCDRO Cc1cc(Cl)cc(C[N@H+](C)CCCn2ccnc2)c1O ZINC000290643834 524861794 /nfs/dbraw/zinc/86/17/94/524861794.db2.gz YSBNTOSYYBDMPQ-UHFFFAOYSA-N 1 0 293.798 3.073 20 10 CGCDRO Cc1cc(Cl)cc(CN2CCC[C@H]([NH+](C)C)CC2)c1O ZINC000277601169 524864033 /nfs/dbraw/zinc/86/40/33/524864033.db2.gz VPQAJSCYLHHAEL-HNNXBMFYSA-N 1 0 296.842 3.270 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@]2(C)CCCO)c1O ZINC000290326899 524864373 /nfs/dbraw/zinc/86/43/73/524864373.db2.gz DKOMYIBNSUFMEC-MRXNPFEDSA-N 1 0 297.826 3.481 20 10 CGCDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000088218881 525154831 /nfs/dbraw/zinc/15/48/31/525154831.db2.gz WYPOWCCZLIBQSQ-CYBMUJFWSA-N 1 0 283.371 3.481 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c1 ZINC000292677953 525345975 /nfs/dbraw/zinc/34/59/75/525345975.db2.gz AKYWCMFFYFYCAD-UONOGXRCSA-N 1 0 267.319 3.178 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](CO)c2ccccc2)c1 ZINC000062999845 525362401 /nfs/dbraw/zinc/36/24/01/525362401.db2.gz CSROJYPVVNMHJS-CJNGLKHVSA-N 1 0 271.360 3.085 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1ccccn1 ZINC000094616834 525603553 /nfs/dbraw/zinc/60/35/53/525603553.db2.gz UDBXIVYFBPALEM-WDEREUQCSA-N 1 0 260.312 3.338 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCC1(C)C)c1ccc(N2CCOCC2)cc1 ZINC000284419198 525632553 /nfs/dbraw/zinc/63/25/53/525632553.db2.gz QRYAYMQVJYSEBN-RHSMWYFYSA-N 1 0 288.435 3.362 20 10 CGCDRO C[C@H](O)CCC[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000228030991 525715128 /nfs/dbraw/zinc/71/51/28/525715128.db2.gz FLPBVPAYIUXGAI-STQMWFEESA-N 1 0 273.376 3.357 20 10 CGCDRO COc1cccc(C[NH+]2CCC3(CCC3)CC2)c1O ZINC000368038308 525934104 /nfs/dbraw/zinc/93/41/04/525934104.db2.gz OPAOWZJPVCGAHM-UHFFFAOYSA-N 1 0 261.365 3.167 20 10 CGCDRO Cc1ncc(C[NH2+][C@@H](C)c2cc(C)ccc2O)s1 ZINC000040997624 527274894 /nfs/dbraw/zinc/27/48/94/527274894.db2.gz IUGMUTYHJPOUGW-JTQLQIEISA-N 1 0 262.378 3.316 20 10 CGCDRO C[C@@H]1C[C@H](C)[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000740857864 571885683 /nfs/dbraw/zinc/88/56/83/571885683.db2.gz BAKBAWYDGXENMS-NEPJUHHUSA-N 1 0 256.349 3.171 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]Cc2ccc(Cl)o2)c1 ZINC000725841608 572435702 /nfs/dbraw/zinc/43/57/02/572435702.db2.gz JEPVSNZPQFCJIG-UHFFFAOYSA-N 1 0 281.739 3.327 20 10 CGCDRO COc1ccc(C[NH2+]Cc2ccc([C@H]3C[C@@H]3C)o2)c(O)c1 ZINC000725846403 572439207 /nfs/dbraw/zinc/43/92/07/572439207.db2.gz DCYBHOQWVLHFTQ-NHYWBVRUSA-N 1 0 287.359 3.407 20 10 CGCDRO COc1cccc(O)c1C[NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000725847284 572439523 /nfs/dbraw/zinc/43/95/23/572439523.db2.gz YMKYLSHFYOWSOU-AAEUAGOBSA-N 1 0 287.359 3.407 20 10 CGCDRO Cn1ccnc1C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000732204188 572451472 /nfs/dbraw/zinc/45/14/72/572451472.db2.gz FMKZCBYIPURTOO-UHFFFAOYSA-N 1 0 285.391 3.071 20 10 CGCDRO Cc1ccc(CC[NH2+]Cc2ccc(N(C)C)c(F)c2)o1 ZINC000733324666 572555143 /nfs/dbraw/zinc/55/51/43/572555143.db2.gz RPMBCWBZEJJHBI-UHFFFAOYSA-N 1 0 276.355 3.125 20 10 CGCDRO COc1cc(C[NH2+]Cc2cc(C)ccc2O)cc(OC)c1 ZINC000733324749 572555411 /nfs/dbraw/zinc/55/54/11/572555411.db2.gz ALDYTBNUTRTXJU-UHFFFAOYSA-N 1 0 287.359 3.008 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc(N(CC)CC)cc1)[C@H]1CCOC1 ZINC000742380380 572571010 /nfs/dbraw/zinc/57/10/10/572571010.db2.gz IBFFHCMIWZFUPB-FUHWJXTLSA-N 1 0 290.451 3.438 20 10 CGCDRO CCOc1ccc(C[NH2+][C@@H](CC)C2CCOCC2)c(O)c1 ZINC000746054405 572849474 /nfs/dbraw/zinc/84/94/74/572849474.db2.gz RUSIYGAGTBGDRT-INIZCTEOSA-N 1 0 293.407 3.086 20 10 CGCDRO CO[C@H]1CCC[C@H]([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000746754435 572895164 /nfs/dbraw/zinc/89/51/64/572895164.db2.gz KETCFHGQHPFIMY-STQMWFEESA-N 1 0 269.772 3.093 20 10 CGCDRO Cn1cc([C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C(C)(C)C)cn1 ZINC000748246870 572970423 /nfs/dbraw/zinc/97/04/23/572970423.db2.gz QKRWVMBLLCTLDZ-QGZVFWFLSA-N 1 0 299.418 3.232 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCCC(F)(F)CC2)cc1 ZINC000859537905 617720008 /nfs/dbraw/zinc/72/00/08/617720008.db2.gz RYKHEUSKVIZTDV-UHFFFAOYSA-N 1 0 268.351 3.374 20 10 CGCDRO CC[C@@H]1CC[C@H]1[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000806135394 617928717 /nfs/dbraw/zinc/92/87/17/617928717.db2.gz JNWKFTWMPOVYOF-GDBMZVCRSA-N 1 0 258.409 3.347 20 10 CGCDRO COc1cc(C[N@@H+]2CCC[C@H]2CSC)c(O)cc1C ZINC000160450110 618046398 /nfs/dbraw/zinc/04/63/98/618046398.db2.gz QLIQQBRBYZDYBF-ZDUSSCGKSA-N 1 0 281.421 3.037 20 10 CGCDRO COC[C@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)C(C)C ZINC000086697986 618071790 /nfs/dbraw/zinc/07/17/90/618071790.db2.gz ZXGBYFZRYXSXAA-SFHVURJKSA-N 1 0 290.451 3.438 20 10 CGCDRO COc1ccc(C[N@@H+]2CCC[C@@H]2C(C)C)c(O)c1OC ZINC000891617745 618242204 /nfs/dbraw/zinc/24/22/04/618242204.db2.gz IFJSCFASEMAFQC-CYBMUJFWSA-N 1 0 279.380 3.030 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccn(CC)n1)c1ccc(C)cc1O ZINC000840840699 618251250 /nfs/dbraw/zinc/25/12/50/618251250.db2.gz NPUXZQZZWWNOFO-OAHLLOKOSA-N 1 0 273.380 3.158 20 10 CGCDRO COc1ccc(C[N@@H+]2CCCC(C)(C)C2)c(O)c1OC ZINC000891722009 618259033 /nfs/dbraw/zinc/25/90/33/618259033.db2.gz MSOYJDSIIMMOME-UHFFFAOYSA-N 1 0 279.380 3.031 20 10 CGCDRO COc1ccc(C[N@@H+]2CCCCC[C@@H]2C)c(O)c1OC ZINC000892035522 618498968 /nfs/dbraw/zinc/49/89/68/618498968.db2.gz BEPWQTKVGJRYFF-LBPRGKRZSA-N 1 0 279.380 3.174 20 10 CGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@H](C)c2cncs2)c1O ZINC000934197158 618527790 /nfs/dbraw/zinc/52/77/90/618527790.db2.gz AZYYVRCZYBTOJK-MRVPVSSYSA-N 1 0 294.351 3.041 20 10 CGCDRO CCCC(O)(CCC)C[NH2+]Cc1cc(C)ccc1O ZINC000119711672 618551708 /nfs/dbraw/zinc/55/17/08/618551708.db2.gz KQXMJTLALCODIB-UHFFFAOYSA-N 1 0 265.397 3.122 20 10 CGCDRO C[C@@H]1CC[C@@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000309046367 618618030 /nfs/dbraw/zinc/61/80/30/618618030.db2.gz NKRLLAVJLWJUDJ-KCJUWKMLSA-N 1 0 270.170 3.043 20 10 CGCDRO CO[C@@](C)([C@H](C)[NH2+][C@@H](C)c1ccccc1O)C1CC1 ZINC000840858428 618692557 /nfs/dbraw/zinc/69/25/57/618692557.db2.gz BZFKRAHZKBLADW-MKBNYLNASA-N 1 0 263.381 3.246 20 10 CGCDRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1cc(C)cc(OC)c1O ZINC000184984799 625287201 /nfs/dbraw/zinc/28/72/01/625287201.db2.gz AJPGVFLRTNNSHX-TZMCWYRMSA-N 1 0 263.381 3.330 20 10 CGCDRO Cc1cccc(CN2CC[NH+](Cc3ccccc3O)CC2)c1 ZINC000179553560 618795524 /nfs/dbraw/zinc/79/55/24/618795524.db2.gz WJOXPVWUDKKEAI-UHFFFAOYSA-N 1 0 296.414 3.018 20 10 CGCDRO COc1ccc(C[NH2+]C2CCCCCC2)c(O)c1OC ZINC000892478942 618802113 /nfs/dbraw/zinc/80/21/13/618802113.db2.gz TZCQAJILICUBLY-UHFFFAOYSA-N 1 0 279.380 3.222 20 10 CGCDRO COc1cccc(C[NH2+][C@H](C)C2CCCCC2)c1O ZINC000052332748 618823882 /nfs/dbraw/zinc/82/38/82/618823882.db2.gz XDVIWNKKFZZOBZ-GFCCVEGCSA-N 1 0 263.381 3.459 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCC(F)(F)C2)cc1 ZINC000310880182 618874348 /nfs/dbraw/zinc/87/43/48/618874348.db2.gz WIJDLMAKNZMELZ-GFCCVEGCSA-N 1 0 254.324 3.030 20 10 CGCDRO C[C@@H]([NH2+]CCOc1cccc(F)c1)c1cc(F)ccc1O ZINC000185106413 625301988 /nfs/dbraw/zinc/30/19/88/625301988.db2.gz LMPIUAVFORFONW-LLVKDONJSA-N 1 0 293.313 3.400 20 10 CGCDRO Cc1ccsc1[C@@H](CO)[NH2+][C@@H](C)c1ccccc1O ZINC000783518726 618912444 /nfs/dbraw/zinc/91/24/44/618912444.db2.gz NXWTZCOHGZKLHY-WCQYABFASA-N 1 0 277.389 3.146 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCCSC)c1 ZINC000168784221 618914249 /nfs/dbraw/zinc/91/42/49/618914249.db2.gz JTTFYQUHXHBWTH-NSHDSACASA-N 1 0 269.410 3.195 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H](C)[C@H]1CCOC1 ZINC000840894007 618939836 /nfs/dbraw/zinc/93/98/36/618939836.db2.gz OOLMZXBUYHTNMZ-UXLLHSPISA-N 1 0 290.451 3.007 20 10 CGCDRO COc1ccc(C[NH2+]CCSC(C)(C)C)c(O)c1OC ZINC000892926924 618954336 /nfs/dbraw/zinc/95/43/36/618954336.db2.gz NTQZBFBEHCCDNI-UHFFFAOYSA-N 1 0 299.436 3.031 20 10 CGCDRO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)Cc1cc(F)ccc1O ZINC000180137985 619013428 /nfs/dbraw/zinc/01/34/28/619013428.db2.gz KNJPULXGOJRNAY-LBPRGKRZSA-N 1 0 289.350 3.300 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC(F)(F)C2)c1 ZINC000312096718 619024374 /nfs/dbraw/zinc/02/43/74/619024374.db2.gz RWJCEHGXYFYQGA-VHSXEESVSA-N 1 0 271.307 3.239 20 10 CGCDRO COC[C@@H](Cc1ccccc1)[N@H+](C)Cc1ccccc1O ZINC000182033448 619031458 /nfs/dbraw/zinc/03/14/58/619031458.db2.gz ZGTVQDLLUYLIIJ-QGZVFWFLSA-N 1 0 285.387 3.082 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2CCC(C)(C)C2)c(O)c1OC ZINC000893222684 619034162 /nfs/dbraw/zinc/03/41/62/619034162.db2.gz WUTCAZSWEPPOAT-LBPRGKRZSA-N 1 0 279.380 3.078 20 10 CGCDRO CCC(=O)CC[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000190294475 619098678 /nfs/dbraw/zinc/09/86/78/619098678.db2.gz QWEQLCGQUBLJDN-UHFFFAOYSA-N 1 0 287.359 3.357 20 10 CGCDRO [NH3+]CCN(Cc1ccccc1)Cc1c(O)cccc1Cl ZINC000220353308 619127414 /nfs/dbraw/zinc/12/74/14/619127414.db2.gz QOPSMXAVAMKEFR-UHFFFAOYSA-N 1 0 290.794 3.007 20 10 CGCDRO CCCN(Cc1cccc(C#N)c1)c1ccc(C[NH3+])cc1 ZINC000194978667 619144862 /nfs/dbraw/zinc/14/48/62/619144862.db2.gz PQIFBVBPUNJQFF-UHFFFAOYSA-N 1 0 279.387 3.434 20 10 CGCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1ccccc1 ZINC000257826674 619182240 /nfs/dbraw/zinc/18/22/40/619182240.db2.gz HEKPZGZEPDHQTH-UHFFFAOYSA-N 1 0 252.361 3.098 20 10 CGCDRO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000093383629 619191370 /nfs/dbraw/zinc/19/13/70/619191370.db2.gz BFOZMZKCTXYFQC-BZPMIXESSA-N 1 0 289.375 3.274 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(C)c(C)n2)c1 ZINC000313886531 619197126 /nfs/dbraw/zinc/19/71/26/619197126.db2.gz DANYRXHBTMTLAY-UHFFFAOYSA-N 1 0 256.349 3.002 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCN(C)C1CCCC1 ZINC000840932745 619225758 /nfs/dbraw/zinc/22/57/58/619225758.db2.gz TVTYVBVOSOHTGV-UHFFFAOYSA-N 1 0 289.467 3.025 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2C[C@H](C)O[C@H]2C)cc1 ZINC000840962422 619281769 /nfs/dbraw/zinc/28/17/69/619281769.db2.gz BMNJAOYBEOBLRN-ZOBUZTSGSA-N 1 0 290.451 3.436 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2CCC[C@H](C)CC2)c(O)c1OC ZINC000893907581 619329108 /nfs/dbraw/zinc/32/91/08/619329108.db2.gz NGTYXWZMBHBDQE-JSGCOSHPSA-N 1 0 293.407 3.468 20 10 CGCDRO COc1ccccc1C[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894148398 619393335 /nfs/dbraw/zinc/39/33/35/619393335.db2.gz XHUYYQZHBZJBEG-UHFFFAOYSA-N 1 0 287.359 3.008 20 10 CGCDRO COc1cc(C)cc(C[NH2+]Cc2ccc(F)cc2F)c1O ZINC000894210887 619425437 /nfs/dbraw/zinc/42/54/37/619425437.db2.gz KTOZSARBSJAFIR-UHFFFAOYSA-N 1 0 293.313 3.277 20 10 CGCDRO COc1cc(C)cc(C[NH2+]Cc2cc(C(C)C)no2)c1O ZINC000894256352 619446082 /nfs/dbraw/zinc/44/60/82/619446082.db2.gz PIVXXZZAMVSCTK-UHFFFAOYSA-N 1 0 290.363 3.110 20 10 CGCDRO CCOCc1cc(C[NH2+]Cc2ccco2)ccc1OC ZINC000195264249 625357127 /nfs/dbraw/zinc/35/71/27/625357127.db2.gz YTHGWWOPDOJGLB-UHFFFAOYSA-N 1 0 275.348 3.115 20 10 CGCDRO COc1cc(C)cc(C[NH2+]Cc2cscc2C)c1O ZINC000894579115 619581274 /nfs/dbraw/zinc/58/12/74/619581274.db2.gz FIGILSUCZUJEMV-UHFFFAOYSA-N 1 0 277.389 3.369 20 10 CGCDRO CC[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000894689200 619605557 /nfs/dbraw/zinc/60/55/57/619605557.db2.gz HXGRTVHIVJJQKN-STQMWFEESA-N 1 0 293.407 3.325 20 10 CGCDRO COc1cc(C)cc(CNc2cc3c(c[nH+]2)CCC3)c1O ZINC000894864547 619659455 /nfs/dbraw/zinc/65/94/55/619659455.db2.gz CELCOWQBQJJPPJ-UHFFFAOYSA-N 1 0 284.359 3.205 20 10 CGCDRO COc1cc(C)cc(C[NH2+]Cc2cc(C)cs2)c1O ZINC000894895053 619673107 /nfs/dbraw/zinc/67/31/07/619673107.db2.gz OEISSUYDJZBVAP-UHFFFAOYSA-N 1 0 277.389 3.369 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CCSC[C@H]2C2CC2)c1O ZINC000894904175 619678960 /nfs/dbraw/zinc/67/89/60/619678960.db2.gz FSAYLFRBWZMGTJ-AWEZNQCLSA-N 1 0 293.432 3.037 20 10 CGCDRO [O-]c1c(F)cc(F)cc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000895073438 619712824 /nfs/dbraw/zinc/71/28/24/619712824.db2.gz HMMZKKYRAKHYPK-IAQYHMDHSA-N 1 0 297.345 3.061 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CCCC(F)(F)CC2)c1O ZINC000895391923 619820026 /nfs/dbraw/zinc/82/00/26/619820026.db2.gz HSEDIHPLDOUNNC-UHFFFAOYSA-N 1 0 285.334 3.330 20 10 CGCDRO Cc1cc(C[NH2+]Cc2cnc[nH]2)c(C)n1-c1cccc(C)c1 ZINC000895406155 619822142 /nfs/dbraw/zinc/82/21/42/619822142.db2.gz QSCTWORSYOZYRH-UHFFFAOYSA-N 1 0 294.402 3.415 20 10 CGCDRO Oc1cccc2c1C[N@H+](C[C@H]1CCc3ccccc31)C2 ZINC000895784670 619885441 /nfs/dbraw/zinc/88/54/41/619885441.db2.gz KYLVJWMARAINCK-OAHLLOKOSA-N 1 0 265.356 3.438 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1C[C@@]1(C)Br)c1ccccc1O ZINC000895850971 619897367 /nfs/dbraw/zinc/89/73/67/619897367.db2.gz HKPUAPHKKVTDJQ-OPQQBVKSSA-N 1 0 284.197 3.216 20 10 CGCDRO CO[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000895926459 619909239 /nfs/dbraw/zinc/90/92/39/619909239.db2.gz FSEJDYQEIXGWCG-UKRRQHHQSA-N 1 0 263.381 3.008 20 10 CGCDRO CC(C)C[N@H+](Cc1ccccn1)Cc1ccccc1O ZINC000896666474 620044166 /nfs/dbraw/zinc/04/41/66/620044166.db2.gz WTGCMZFSAKLVKG-UHFFFAOYSA-N 1 0 270.376 3.445 20 10 CGCDRO COc1cc(C)cc(C[NH2+]C(C)(C)/C=C\Cl)c1O ZINC000896748596 620055680 /nfs/dbraw/zinc/05/56/80/620055680.db2.gz XKXIZIFKFKKTIL-WAYWQWQTSA-N 1 0 269.772 3.330 20 10 CGCDRO COc1cc(C)cc(C[NH+]2CCC(F)(C3CC3)CC2)c1O ZINC000896946353 620110862 /nfs/dbraw/zinc/11/08/62/620110862.db2.gz SBVJORFBOKKAIM-UHFFFAOYSA-N 1 0 293.382 3.423 20 10 CGCDRO CCC(CC)(CCO)C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000185621400 625399583 /nfs/dbraw/zinc/39/95/83/625399583.db2.gz BGLQYNKUUMMMAI-GFCCVEGCSA-N 1 0 283.387 3.371 20 10 CGCDRO Cc1ccc(C[NH2+]C[C@@H]2CC(C)(C)OC2(C)C)c(O)c1 ZINC000897225515 620164771 /nfs/dbraw/zinc/16/47/71/620164771.db2.gz OXSIACXLWJJYTD-AWEZNQCLSA-N 1 0 277.408 3.384 20 10 CGCDRO Cc1cc(O)c(C[NH2+]Cc2cnn(CC3CCC3)c2)cc1C ZINC000897433300 620318604 /nfs/dbraw/zinc/31/86/04/620318604.db2.gz UQMYHGCBLOJISP-UHFFFAOYSA-N 1 0 299.418 3.295 20 10 CGCDRO CC[C@@H]([NH2+]CC1(C2(O)CCC2)CC1)c1ccccc1O ZINC000897527425 620370175 /nfs/dbraw/zinc/37/01/75/620370175.db2.gz MCUNIOYDEWGUQQ-CQSZACIVSA-N 1 0 275.392 3.128 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CC2(C3(O)CCC3)CC2)c(Cl)c1 ZINC000897528113 620371542 /nfs/dbraw/zinc/37/15/42/620371542.db2.gz WJRNACXQJATJBG-UHFFFAOYSA-N 1 0 295.810 3.139 20 10 CGCDRO C[C@@H]([NH2+][C@H](C)c1ccc(Cl)cc1O)c1cn[nH]c1 ZINC000841752715 620384796 /nfs/dbraw/zinc/38/47/96/620384796.db2.gz VHSAGSOGHFPSLE-RKDXNWHRSA-N 1 0 265.744 3.181 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H](C)Cc2cccnc2)cc1C ZINC000897969254 620459208 /nfs/dbraw/zinc/45/92/08/620459208.db2.gz HUCCWWODXNUPNS-AWEZNQCLSA-N 1 0 270.376 3.125 20 10 CGCDRO Cc1cc(O)c(C[NH+]2CC(Cc3ccoc3)C2)cc1C ZINC000898160570 620484192 /nfs/dbraw/zinc/48/41/92/620484192.db2.gz JTNJSXZKXDFHBL-UHFFFAOYSA-N 1 0 271.360 3.277 20 10 CGCDRO C[C@H]([NH2+]Cc1ccccc1O)c1cnn(CC2CCC2)c1 ZINC000898177988 620489857 /nfs/dbraw/zinc/48/98/57/620489857.db2.gz VUPHRNAMLPUSGQ-ZDUSSCGKSA-N 1 0 285.391 3.240 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H]2CC=CC[C@H]2C)c1O ZINC000898225080 620499510 /nfs/dbraw/zinc/49/95/10/620499510.db2.gz DICKBGCBLCVAOS-TZMCWYRMSA-N 1 0 261.365 3.235 20 10 CGCDRO CSCC(C)(C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000898305225 620508552 /nfs/dbraw/zinc/50/85/52/620508552.db2.gz UKQLTSBSSMAJRC-UHFFFAOYSA-N 1 0 265.422 3.243 20 10 CGCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+][C@H]1CCCC[C@H]1O ZINC000265263850 620525194 /nfs/dbraw/zinc/52/51/94/620525194.db2.gz RLCXNMFJUYUDQE-PKOBYXMFSA-N 1 0 297.398 3.452 20 10 CGCDRO Cc1cc(C)cc(C[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)c1 ZINC000841043395 620540635 /nfs/dbraw/zinc/54/06/35/620540635.db2.gz OFONQJCCIKYOGD-LJQANCHMSA-N 1 0 297.446 3.159 20 10 CGCDRO COc1cc(C[NH+]2CCC(CSC)CC2)c(O)cc1C ZINC000902392872 621302931 /nfs/dbraw/zinc/30/29/31/621302931.db2.gz LEGRVEGNEBLQFB-UHFFFAOYSA-N 1 0 295.448 3.284 20 10 CGCDRO CC[C@H]([NH2+]CC1([NH3+])CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000902403646 621308098 /nfs/dbraw/zinc/30/80/98/621308098.db2.gz AIXNHKPAQRLUAF-JTQLQIEISA-N 1 0 289.206 3.231 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1N)c1ccc(N(C)C)cc1 ZINC000902441158 621320811 /nfs/dbraw/zinc/32/08/11/621320811.db2.gz CIIVKCGYURNLMF-UPRAQXHNSA-N 1 0 295.430 3.028 20 10 CGCDRO C[C@@H](N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccc2ccccc2c1O ZINC000902476209 621325740 /nfs/dbraw/zinc/32/57/40/621325740.db2.gz NPMXSNJJUKNROX-HQQPKKBNSA-N 1 0 282.387 3.089 20 10 CGCDRO CC[C@H](N[C@H]1C[NH2+]CC1(C)C)c1cccc(Cl)c1[O-] ZINC000902447287 621328643 /nfs/dbraw/zinc/32/86/43/621328643.db2.gz YGBPEEAHZGPSHV-STQMWFEESA-N 1 0 282.815 3.084 20 10 CGCDRO CC[C@@H]([NH2+]Cc1csc(N)n1)c1cc(Cl)ccc1O ZINC000902499290 621346593 /nfs/dbraw/zinc/34/65/93/621346593.db2.gz MQSOAFHVHBFXTA-LLVKDONJSA-N 1 0 297.811 3.325 20 10 CGCDRO CCO[C@@H]1CCC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000902784011 621438970 /nfs/dbraw/zinc/43/89/70/621438970.db2.gz MEWUJEHCCSKLGN-HZPDHXFCSA-N 1 0 275.392 3.059 20 10 CGCDRO Cc1ncccc1CC[NH2+][C@H](C)c1cc(F)ccc1O ZINC000903415132 621734792 /nfs/dbraw/zinc/73/47/92/621734792.db2.gz HQHLDCXEYVWJJK-GFCCVEGCSA-N 1 0 274.339 3.128 20 10 CGCDRO C[C@H]([NH2+][C@@H]1COC[C@H]1C1CC1)c1ccc(Cl)cc1O ZINC000903441239 621749679 /nfs/dbraw/zinc/74/96/79/621749679.db2.gz ZYFBTEJRZZFBJQ-QCZZGDTMSA-N 1 0 281.783 3.121 20 10 CGCDRO [O-]c1c(Cl)cccc1C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903959407 621836612 /nfs/dbraw/zinc/83/66/12/621836612.db2.gz HPWUZGHRGIPIPC-MRXNPFEDSA-N 1 0 294.826 3.011 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2cc(F)ccc2F)c1 ZINC000083458552 625522571 /nfs/dbraw/zinc/52/25/71/625522571.db2.gz IXILMSRIBPLCLW-UHFFFAOYSA-N 1 0 263.287 3.269 20 10 CGCDRO COc1cccc(O)c1CNc1ccc(C(C)(C)[NH3+])cc1 ZINC000904471189 621925615 /nfs/dbraw/zinc/92/56/15/621925615.db2.gz ZSHNNRBBYCMBBL-UHFFFAOYSA-N 1 0 286.375 3.207 20 10 CGCDRO Cc1cccc(C[NH2+][C@H]2C[C@@H](OC(C)C)C2(C)C)c1O ZINC000768525162 625541144 /nfs/dbraw/zinc/54/11/44/625541144.db2.gz UDDHDIAZKRTZMV-LSDHHAIUSA-N 1 0 277.408 3.382 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1CCCS1)c1ccc(N(C)C)cc1 ZINC000149725965 622376557 /nfs/dbraw/zinc/37/65/57/622376557.db2.gz RUCNLGHOYGVYMD-SWLSCSKDSA-N 1 0 264.438 3.299 20 10 CGCDRO Cc1noc(C)c1C[N@@H+](C)Cc1cc(C)cc(C)c1O ZINC000163994819 622811087 /nfs/dbraw/zinc/81/10/87/622811087.db2.gz CXUFUQMHDGYQKB-UHFFFAOYSA-N 1 0 274.364 3.246 20 10 CGCDRO CS[C@@H]1CC[C@H]([NH2+]Cc2cccc(C)c2O)C1 ZINC000224879856 622889447 /nfs/dbraw/zinc/88/94/47/622889447.db2.gz OAMCRAVNDWRWMW-QWHCGFSZSA-N 1 0 251.395 3.074 20 10 CGCDRO CC(C)C1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000226565763 622981672 /nfs/dbraw/zinc/98/16/72/622981672.db2.gz QEIBIXIGQVHKOO-UHFFFAOYSA-N 1 0 251.345 3.399 20 10 CGCDRO C[C@@H]1CCC[C@H]([NH2+]Cc2cc(F)ccc2O)[C@@H]1C ZINC000226582759 622983074 /nfs/dbraw/zinc/98/30/74/622983074.db2.gz KCBMRKRVNUINQT-GYSYKLTISA-N 1 0 251.345 3.446 20 10 CGCDRO C[C@H](C[NH2+]Cc1cc(F)ccc1O)c1ccccc1 ZINC000226582625 622984126 /nfs/dbraw/zinc/98/41/26/622984126.db2.gz QDZGUBCTPWCOGZ-GFCCVEGCSA-N 1 0 259.324 3.425 20 10 CGCDRO CC[C@@H]([NH2+]CC(CC)(CC)C(=O)OC)c1ccccc1O ZINC000158105897 623003419 /nfs/dbraw/zinc/00/34/19/623003419.db2.gz KRUVQIQLZCIGHX-CQSZACIVSA-N 1 0 293.407 3.412 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CCCCS2)cc1 ZINC000158108643 623004214 /nfs/dbraw/zinc/00/42/14/623004214.db2.gz DDYIBADLOZALDM-HNNXBMFYSA-N 1 0 264.438 3.128 20 10 CGCDRO CC1CC[NH+](CCC[NH2+]Cc2cccc(Cl)c2[O-])CC1 ZINC000158080080 623004481 /nfs/dbraw/zinc/00/44/81/623004481.db2.gz PVPSWELSNVJJBJ-UHFFFAOYSA-N 1 0 296.842 3.257 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)C(C)(C)C)c1 ZINC000168768275 623014448 /nfs/dbraw/zinc/01/44/48/623014448.db2.gz QBXRXUAJBDMXEW-WDEREUQCSA-N 1 0 251.370 3.486 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@H](O)CC(C)(C)C)cc1 ZINC000227375165 623018878 /nfs/dbraw/zinc/01/88/78/623018878.db2.gz DQHKOYSHWXRUMU-QGZVFWFLSA-N 1 0 292.467 3.420 20 10 CGCDRO CC[C@H]([NH2+]CC[C@H](C)[NH3+])c1ccc(Cl)c(Cl)c1[O-] ZINC000817953845 625620316 /nfs/dbraw/zinc/62/03/16/625620316.db2.gz VCFTTYFKATWPOJ-KWQFWETISA-N 1 0 291.222 3.477 20 10 CGCDRO CC(=O)c1cc(F)cc(C[NH+]2CCC(C)(C)CC2)c1O ZINC000061820763 623180528 /nfs/dbraw/zinc/18/05/28/623180528.db2.gz JZXGUWBHXJUCHO-UHFFFAOYSA-N 1 0 279.355 3.356 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CC2(C)CCOCC2)c1 ZINC000230668241 623258224 /nfs/dbraw/zinc/25/82/24/623258224.db2.gz UCILZKQVZYAMRE-ZDUSSCGKSA-N 1 0 263.381 3.168 20 10 CGCDRO C[N@H+](Cc1cc(C(C)(C)C)cc(O)c1O)C1CCC1 ZINC000172963607 623301506 /nfs/dbraw/zinc/30/15/06/623301506.db2.gz BZJNPDSYXHEFDC-UHFFFAOYSA-N 1 0 263.381 3.380 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@](C)(CO)C2CCCCC2)cc1C ZINC000174420512 623391740 /nfs/dbraw/zinc/39/17/40/623391740.db2.gz MFUCBFCMXWCXHI-GOSISDBHSA-N 1 0 291.435 3.430 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)cc1Cl ZINC000827506321 623465585 /nfs/dbraw/zinc/46/55/85/623465585.db2.gz GPQPMNIUZONUGW-GHMZBOCLSA-N 1 0 251.757 3.196 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)[C@H]2CCCO2)cc1F ZINC000152061995 623611515 /nfs/dbraw/zinc/61/15/15/623611515.db2.gz PDPZUIPUYLOSPM-SUMWQHHRSA-N 1 0 294.414 3.329 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@H]2CS[C@H](C(C)C)C2)c1 ZINC000754122072 623813310 /nfs/dbraw/zinc/81/33/10/623813310.db2.gz MQSFGQQFRDJXCD-DOMZBBRYSA-N 1 0 281.421 3.021 20 10 CGCDRO CCC[N@@H+](Cc1cc(C)cc(OC)c1O)CC1CC1 ZINC000915794909 624029953 /nfs/dbraw/zinc/02/99/53/624029953.db2.gz XFWFNBJORUFELS-UHFFFAOYSA-N 1 0 263.381 3.331 20 10 CGCDRO COc1cc(C)cc(C[N@H+](C)Cc2ccc(C)o2)c1O ZINC000915818639 624036179 /nfs/dbraw/zinc/03/61/79/624036179.db2.gz ZFLSRIMGVFKRMG-UHFFFAOYSA-N 1 0 275.348 3.243 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCSC)cc1 ZINC000154751483 624362076 /nfs/dbraw/zinc/36/20/76/624362076.db2.gz ABTKSFIJMUXKLY-LBPRGKRZSA-N 1 0 252.427 3.156 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CC2(OC)CCC2)cc1 ZINC000180197688 624726394 /nfs/dbraw/zinc/72/63/94/624726394.db2.gz TWJDJNYFWGJCKD-CQSZACIVSA-N 1 0 276.424 3.362 20 10 CGCDRO COc1ccc(O)c(C[NH+]2CCC(C(C)C)CC2)c1 ZINC000180467211 624754097 /nfs/dbraw/zinc/75/40/97/624754097.db2.gz CPEYSMDPXJFAHI-UHFFFAOYSA-N 1 0 263.381 3.269 20 10 CGCDRO COc1ccc(O)c(C[N@H+](C)[C@@H]2C[C@@](C)(OC)C2(C)C)c1 ZINC000180672683 624766717 /nfs/dbraw/zinc/76/67/17/624766717.db2.gz LFAKTAUXUDXLKU-NVXWUHKLSA-N 1 0 293.407 3.036 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C/C(Cl)=C/Cl)c1 ZINC000182334798 624985011 /nfs/dbraw/zinc/98/50/11/624985011.db2.gz WUJTZGDGKFMMKF-HWPCKVLBSA-N 1 0 276.163 3.370 20 10 CGCDRO CC[N@H+](Cc1cc(Br)ccc1O)C(C)C ZINC000076118496 625052814 /nfs/dbraw/zinc/05/28/14/625052814.db2.gz VHDCLKFZXMSPCJ-UHFFFAOYSA-N 1 0 272.186 3.385 20 10 CGCDRO C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000071206824 625065131 /nfs/dbraw/zinc/06/51/31/625065131.db2.gz ZABFLKMDNXXJRU-CZUORRHYSA-N 1 0 258.409 3.347 20 10 CGCDRO C[C@H](CN1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H](C)c1ccccc1O ZINC000183444607 625075744 /nfs/dbraw/zinc/07/57/44/625075744.db2.gz CQOAXTQGBOKSMG-QXSJWSMHSA-N 1 0 290.451 3.409 20 10 CGCDRO C[C@H](C[NH2+][C@@H](C)c1ccccc1O)N1CCc2ccccc21 ZINC000183456129 625075798 /nfs/dbraw/zinc/07/57/98/625075798.db2.gz MZHNXSPPOPICSM-CABCVRRESA-N 1 0 296.414 3.494 20 10 CGCDRO COc1cccc(C[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)c1O ZINC000019963253 634441180 /nfs/dbraw/zinc/44/11/80/634441180.db2.gz NWIMHWLCENVZKM-MBNYWOFBSA-N 1 0 263.381 3.315 20 10 CGCDRO CC[C@@H]1CC[N@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000184702479 625263303 /nfs/dbraw/zinc/26/33/03/625263303.db2.gz IKLHOXSOIYXXDY-SNVBAGLBSA-N 1 0 269.772 3.286 20 10 CGCDRO Cc1cc(C#N)ccc1C[N@@H+](C)Cc1ccccc1O ZINC000186291516 625781246 /nfs/dbraw/zinc/78/12/46/625781246.db2.gz BTKPMSPOFFWADN-UHFFFAOYSA-N 1 0 266.344 3.204 20 10 CGCDRO CC[C@@H]1CCC[C@@H]([NH2+]Cc2cc(OC)ccc2O)C1 ZINC000085063190 625792935 /nfs/dbraw/zinc/79/29/35/625792935.db2.gz FIMKGEJIPNVVET-TZMCWYRMSA-N 1 0 263.381 3.459 20 10 CGCDRO Oc1ccccc1C[NH2+][C@H](c1ccccn1)C1CC1 ZINC000922585333 626016832 /nfs/dbraw/zinc/01/68/32/626016832.db2.gz FFOOHMJZTPHSDY-INIZCTEOSA-N 1 0 254.333 3.028 20 10 CGCDRO CCC[C@@H](O)CC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000922825821 626050066 /nfs/dbraw/zinc/05/00/66/626050066.db2.gz PODXNYWQZIVRJP-GOSISDBHSA-N 1 0 290.451 3.318 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCS[C@@H](C)C2)cc1C ZINC000922838443 626056765 /nfs/dbraw/zinc/05/67/65/626056765.db2.gz ZHQDCGFSSYFSHC-JSGCOSHPSA-N 1 0 265.422 3.383 20 10 CGCDRO COc1cc(C)cc(C[N@H+](C)C(C2CC2)C2CC2)c1O ZINC000164244680 626085667 /nfs/dbraw/zinc/08/56/67/626085667.db2.gz XNXUEKICSIINSW-UHFFFAOYSA-N 1 0 275.392 3.330 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H](C)CCc2ccco2)c1O ZINC000124643756 634477050 /nfs/dbraw/zinc/47/70/50/634477050.db2.gz QDEUUZIXAIXZPS-ZDUSSCGKSA-N 1 0 259.349 3.405 20 10 CGCDRO Oc1cc2c(cc1C[NH+]1CC(C3CCCCC3)C1)OCO2 ZINC000839136683 626322428 /nfs/dbraw/zinc/32/24/28/626322428.db2.gz RPCFJBCVLRTIFG-UHFFFAOYSA-N 1 0 289.375 3.133 20 10 CGCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)C1CC(C)(C)C1 ZINC000839180481 626326164 /nfs/dbraw/zinc/32/61/64/626326164.db2.gz DHIWXTHABHMPGI-UHFFFAOYSA-N 1 0 288.435 3.144 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+][C@@]2(C)CCO[C@H]2C)c1O ZINC000753577175 626456329 /nfs/dbraw/zinc/45/63/29/626456329.db2.gz RVEFYSSVYKHVRV-HZMBPMFUSA-N 1 0 269.772 3.011 20 10 CGCDRO C[C@@H]1C[C@H]1C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000754099170 626475654 /nfs/dbraw/zinc/47/56/54/626475654.db2.gz BTTIVVDXDSOQJX-KBMXLJTQSA-N 1 0 275.392 3.029 20 10 CGCDRO CCCC[N@H+](Cc1cc(C)cc(OC)c1O)C1CC1 ZINC000754726005 626585122 /nfs/dbraw/zinc/58/51/22/626585122.db2.gz KLJKBSRSTWFAKE-UHFFFAOYSA-N 1 0 263.381 3.474 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]CCc2ccccn2)c2c1c(F)ccc2O ZINC000756339677 626693199 /nfs/dbraw/zinc/69/31/99/626693199.db2.gz BZIVFUFGGPVXGA-RISCZKNCSA-N 1 0 286.350 3.307 20 10 CGCDRO CCN1CCC([NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)CC1 ZINC000756360073 626696504 /nfs/dbraw/zinc/69/65/04/626696504.db2.gz DDZOIXCWIZKQCM-RISCZKNCSA-N 1 0 292.398 3.154 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)cn1 ZINC000756380369 626698728 /nfs/dbraw/zinc/69/87/28/626698728.db2.gz HWELANIAWHVADX-ZDUSSCGKSA-N 1 0 286.375 3.263 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2CO)c(O)c1C ZINC000756456107 626707082 /nfs/dbraw/zinc/70/70/82/626707082.db2.gz GDSJINUNHHMBLP-CQSZACIVSA-N 1 0 285.387 3.352 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCN2CCc3ccccc32)c1 ZINC000756482878 626709033 /nfs/dbraw/zinc/70/90/33/626709033.db2.gz JUACZZMPZAIRJG-HNNXBMFYSA-N 1 0 296.414 3.414 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)CC(C)C)c(O)c1C ZINC000756498614 626709947 /nfs/dbraw/zinc/70/99/47/626709947.db2.gz VLDLIPDTNIOOBE-UONOGXRCSA-N 1 0 265.397 3.067 20 10 CGCDRO CCN(CC[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)C1CC1 ZINC000756524579 626711795 /nfs/dbraw/zinc/71/17/95/626711795.db2.gz KXRXEJFEKLTAMR-RISCZKNCSA-N 1 0 292.398 3.154 20 10 CGCDRO CCN(CC[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F)C(C)C ZINC000756527554 626712419 /nfs/dbraw/zinc/71/24/19/626712419.db2.gz ZVXLZVVTWBKQTC-GXTWGEPZSA-N 1 0 294.414 3.400 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCOC2)c2c1c(F)ccc2O ZINC000756573562 626716703 /nfs/dbraw/zinc/71/67/03/626716703.db2.gz KUZLAJJNLBNZOI-XAGWURHQSA-N 1 0 279.355 3.096 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCOc2cccnc2)c(O)c1C ZINC000756573078 626716945 /nfs/dbraw/zinc/71/69/45/626716945.db2.gz POARJVZBQXWWNB-CQSZACIVSA-N 1 0 286.375 3.134 20 10 CGCDRO C[C@H]([NH2+]C[C@]1(C)CCOC1)c1cc2c(cc1O)CCCC2 ZINC000756574555 626716957 /nfs/dbraw/zinc/71/69/57/626716957.db2.gz NBFLHPYSCBTAKG-UGSOOPFHSA-N 1 0 289.419 3.348 20 10 CGCDRO CC(C)[C@@](C)(O)C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756576275 626717471 /nfs/dbraw/zinc/71/74/71/626717471.db2.gz LWNIDSUTIKXKMT-XAGWURHQSA-N 1 0 281.371 3.076 20 10 CGCDRO CSC[C@H](C)[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756585504 626718844 /nfs/dbraw/zinc/71/88/44/626718844.db2.gz KORBRGDJGWYTSV-YWVKMMECSA-N 1 0 269.385 3.421 20 10 CGCDRO COC[C@@H]([NH2+][C@@H](C)c1ccc(C)c(C)c1O)C(C)C ZINC000756596782 626719330 /nfs/dbraw/zinc/71/93/30/626719330.db2.gz GWLHSQCVFADUEV-DZGCQCFKSA-N 1 0 265.397 3.331 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(C)[C@@H](C)C2)c(O)c1C ZINC000756613709 626720494 /nfs/dbraw/zinc/72/04/94/626720494.db2.gz QICHMYRSJVMGRN-AEGPPILISA-N 1 0 276.424 3.142 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCN2CCC[C@H]2C)c(O)c1C ZINC000756616929 626720585 /nfs/dbraw/zinc/72/05/85/626720585.db2.gz MCQPZEYTTMBSEU-UKRRQHHQSA-N 1 0 276.424 3.144 20 10 CGCDRO CCc1cc(C[NH2+][C@@H](C)c2ccc(C)cc2O)on1 ZINC000756611501 626720880 /nfs/dbraw/zinc/72/08/80/626720880.db2.gz WJYFOYCOBMHJTQ-NSHDSACASA-N 1 0 260.337 3.102 20 10 CGCDRO C[C@@H]([NH2+]CCN1CCC[C@@H]1C)c1cc(Cl)ccc1O ZINC000756618151 626721475 /nfs/dbraw/zinc/72/14/75/626721475.db2.gz RIJJWHZHAJIMSC-NWDGAFQWSA-N 1 0 282.815 3.181 20 10 CGCDRO Cc1ccccc1[C@H](CO)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000756636997 626722526 /nfs/dbraw/zinc/72/25/26/626722526.db2.gz KVYHPGOGNDGAEJ-LRDDRELGSA-N 1 0 289.350 3.224 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]C2CCC(C)(O)CC2)c2c1c(F)ccc2O ZINC000756637137 626723507 /nfs/dbraw/zinc/72/35/07/626723507.db2.gz ZRUXUDLBPBFEBI-BRNAGBGPSA-N 1 0 293.382 3.363 20 10 CGCDRO C[C@H]1C[C@H]([NH2+][C@H]2CC[C@@H](CO)CC2)c2c1c(F)ccc2O ZINC000756644464 626724301 /nfs/dbraw/zinc/72/43/01/626724301.db2.gz ARQYGEGDEDQFPL-FMSGJZPZSA-N 1 0 293.382 3.220 20 10 CGCDRO Cc1ccsc1[C@H](CO)[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000756735585 626728903 /nfs/dbraw/zinc/72/89/03/626728903.db2.gz FSPOVKCNUJYROQ-JSGCOSHPSA-N 1 0 291.416 3.455 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H](CO)CC(C)(C)C)c(O)c1C ZINC000756763016 626729990 /nfs/dbraw/zinc/72/99/90/626729990.db2.gz WREMIHAIVPWKEJ-KBPBESRZSA-N 1 0 279.424 3.457 20 10 CGCDRO C[C@H]([NH2+]CCOC1CCC1)c1cc(Cl)ccc1O ZINC000756836458 626735978 /nfs/dbraw/zinc/73/59/78/626735978.db2.gz ARYDDHRKEHWTPU-JTQLQIEISA-N 1 0 269.772 3.265 20 10 CGCDRO CC[C@@H](CC(F)(F)F)[NH2+]Cc1cccc(OC)c1O ZINC000760650799 626983154 /nfs/dbraw/zinc/98/31/54/626983154.db2.gz JSDUYCINEVWRMV-JTQLQIEISA-N 1 0 277.286 3.221 20 10 CGCDRO COc1cc(Cl)cc(C[N@H+](C)Cc2ccccn2)c1O ZINC000761215104 627026285 /nfs/dbraw/zinc/02/62/85/627026285.db2.gz IMPOHVSZTWIKJA-UHFFFAOYSA-N 1 0 292.766 3.081 20 10 CGCDRO COc1cccc(O)c1C[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000763533284 627164101 /nfs/dbraw/zinc/16/41/01/627164101.db2.gz ZUXBFVSKUOJAAH-WBMJQRKESA-N 1 0 293.407 3.084 20 10 CGCDRO CC(C)O[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)C1(C)C ZINC000765811983 627272912 /nfs/dbraw/zinc/27/29/12/627272912.db2.gz SIKPGHSZPDGUAE-IAGOWNOFSA-N 1 0 290.451 3.434 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C)C1CCOCC1 ZINC000766027999 627288157 /nfs/dbraw/zinc/28/81/57/627288157.db2.gz CIDFRDWOKCARDP-GOSISDBHSA-N 1 0 290.451 3.356 20 10 CGCDRO C[C@@]1(C[NH2+]Cc2cc(Cl)ccc2O)CCO[C@@H]1C1CC1 ZINC000767195638 627389153 /nfs/dbraw/zinc/38/91/53/627389153.db2.gz OLAAGLUFSQXNOL-CVEARBPZSA-N 1 0 295.810 3.340 20 10 CGCDRO CC[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)CC(C)C ZINC000768336339 627474272 /nfs/dbraw/zinc/47/42/72/627474272.db2.gz RUMIUNOGZSBRBA-UHFFFAOYSA-N 1 0 294.414 3.140 20 10 CGCDRO C[N@@H+](Cc1cc2c(cc1O)CCCC2)C[C@H]1CCCCO1 ZINC000768441002 627480638 /nfs/dbraw/zinc/48/06/38/627480638.db2.gz CHSFREFHDNKXEO-QGZVFWFLSA-N 1 0 289.419 3.272 20 10 CGCDRO CCC1(CC)C[N@H+](Cc2ccccc2O)CCS1 ZINC000768528267 627483743 /nfs/dbraw/zinc/48/37/43/627483743.db2.gz IFRNOEKCLFXJQN-UHFFFAOYSA-N 1 0 265.422 3.500 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CCCC[C@@H](COC)C2)c(O)c1 ZINC000768541877 627485278 /nfs/dbraw/zinc/48/52/78/627485278.db2.gz SUOFGXSOXUMLRT-CQSZACIVSA-N 1 0 293.407 3.039 20 10 CGCDRO CCOc1cccc(C[NH+]2CCC(OC(C)C)CC2)c1O ZINC000768993445 627514441 /nfs/dbraw/zinc/51/44/41/627514441.db2.gz WVDUUJBTKJMRBU-UHFFFAOYSA-N 1 0 293.407 3.180 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000769103309 627522663 /nfs/dbraw/zinc/52/26/63/627522663.db2.gz VOFGYHDYWVFIND-JSGCOSHPSA-N 1 0 261.365 3.165 20 10 CGCDRO CC(C)(C)[N@@H+]1CCCN(Cc2cc(Cl)ccc2O)CC1 ZINC000769188887 627530307 /nfs/dbraw/zinc/53/03/07/627530307.db2.gz QQFBSZIWJGVPKL-UHFFFAOYSA-N 1 0 296.842 3.352 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C)c(O)c1 ZINC000769224878 627531461 /nfs/dbraw/zinc/53/14/61/627531461.db2.gz ZWWDMWJITGJAEW-OLZOCXBDSA-N 1 0 263.381 3.411 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CCC[C@@H](C)[C@H]2C)c(O)c1 ZINC000769224877 627531788 /nfs/dbraw/zinc/53/17/88/627531788.db2.gz ZWWDMWJITGJAEW-CHWSQXEVSA-N 1 0 263.381 3.411 20 10 CGCDRO CCC[N@@H+](Cc1c(O)cccc1OC)C[C@H]1CCCCO1 ZINC000769337073 627543866 /nfs/dbraw/zinc/54/38/66/627543866.db2.gz CLWWIBAFMHLTEK-CQSZACIVSA-N 1 0 293.407 3.182 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CCc2ccc(F)cc2C1 ZINC000769403422 627549501 /nfs/dbraw/zinc/54/95/01/627549501.db2.gz CKKVIBWVWIQEEI-UHFFFAOYSA-N 1 0 287.334 3.098 20 10 CGCDRO CC[N@H+](Cc1ccc(N(C)C)c(F)c1)C1CCC1 ZINC000769466070 627556217 /nfs/dbraw/zinc/55/62/17/627556217.db2.gz HPNWLHVVGWBVOL-UHFFFAOYSA-N 1 0 250.361 3.266 20 10 CGCDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2cc(C)ccc2O)C1(C)C ZINC000769476244 627558536 /nfs/dbraw/zinc/55/85/36/627558536.db2.gz XMIAOWROEAZODB-HOTGVXAUSA-N 1 0 277.408 3.336 20 10 CGCDRO COc1cccc(O)c1C[NH+]1C2CCCC1CCC2 ZINC000769498637 627560288 /nfs/dbraw/zinc/56/02/88/627560288.db2.gz LZNPQJULKKNGCM-UHFFFAOYSA-N 1 0 261.365 3.308 20 10 CGCDRO C[N@H+](Cc1ccc[nH]1)Cc1cc(Br)ccc1O ZINC000769543305 627564471 /nfs/dbraw/zinc/56/44/71/627564471.db2.gz MQFMWFZYVWNQCG-UHFFFAOYSA-N 1 0 295.180 3.115 20 10 CGCDRO C[C@H]([NH2+][C@@H](CO)c1ccsc1)c1cc(Cl)ccc1O ZINC000769986023 627594966 /nfs/dbraw/zinc/59/49/66/627594966.db2.gz GIULRFJTTKKONB-ZANVPECISA-N 1 0 297.807 3.491 20 10 CGCDRO C[N@H+](CCc1cnccn1)Cc1c(O)ccc2ccccc21 ZINC000770663575 627635247 /nfs/dbraw/zinc/63/52/47/627635247.db2.gz QAAWODCLYSIBEV-UHFFFAOYSA-N 1 0 293.370 3.010 20 10 CGCDRO CCOc1ccc(C[NH2+][C@H]2CCO[C@@H](C(C)C)C2)c(O)c1 ZINC000771891084 627742142 /nfs/dbraw/zinc/74/21/42/627742142.db2.gz XXHKTIGZEDUULI-WMLDXEAASA-N 1 0 293.407 3.084 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCCOC[C@H]2C)cc1C(C)C ZINC000772820512 627826498 /nfs/dbraw/zinc/82/64/98/627826498.db2.gz IHVMHHSDBNDONB-CQSZACIVSA-N 1 0 277.408 3.435 20 10 CGCDRO C[C@H]([NH2+]CC(C)(C)CO)c1ccc(N2CCCCC2)cc1 ZINC000773071108 627850666 /nfs/dbraw/zinc/85/06/66/627850666.db2.gz JJYKWDQVISHKNM-HNNXBMFYSA-N 1 0 290.451 3.346 20 10 CGCDRO CC[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1ccc(N(C)CC)cc1 ZINC000773755625 627911269 /nfs/dbraw/zinc/91/12/69/627911269.db2.gz UNIVEJYIWXFNHI-QZTJIDSGSA-N 1 0 290.451 3.268 20 10 CGCDRO CCN(C)c1ccc(C[N@H+](C)CCc2ccccn2)cc1 ZINC000773803729 627916644 /nfs/dbraw/zinc/91/66/44/627916644.db2.gz BRXMOTYVALSTHS-UHFFFAOYSA-N 1 0 283.419 3.212 20 10 CGCDRO CCN(C)c1ccc(C[N@H+](C)C[C@H]2CCCC[C@H]2O)cc1 ZINC000773832088 627918017 /nfs/dbraw/zinc/91/80/17/627918017.db2.gz MSNIZZFWFNDESO-SJLPKXTDSA-N 1 0 290.451 3.126 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc(N(C)CC)cc1)[C@@H]1CCCO1 ZINC000773838242 627919479 /nfs/dbraw/zinc/91/94/79/627919479.db2.gz LPBOBEUBGOMQJO-SJORKVTESA-N 1 0 276.424 3.190 20 10 CGCDRO COc1ccc(O)c(C[NH2+]Cc2coc3ccccc23)c1 ZINC000121435845 634622606 /nfs/dbraw/zinc/62/26/06/634622606.db2.gz MKDJPQKUGHHLMO-UHFFFAOYSA-N 1 0 283.327 3.437 20 10 CGCDRO C[C@H]([NH2+]C[C@H](O)c1c(F)cccc1F)c1ccccc1O ZINC000775137756 628067062 /nfs/dbraw/zinc/06/70/62/628067062.db2.gz YCOVZBITHUZELZ-BONVTDFDSA-N 1 0 293.313 3.055 20 10 CGCDRO COC1(C[NH2+]Cc2c(O)cccc2Cl)CCCCC1 ZINC000775321389 628082367 /nfs/dbraw/zinc/08/23/67/628082367.db2.gz VNUWGPUNYUTPOL-UHFFFAOYSA-N 1 0 283.799 3.485 20 10 CGCDRO CO[C@@H]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000775418983 628093339 /nfs/dbraw/zinc/09/33/39/628093339.db2.gz RXMCHJIWMXMUMZ-JLJPHGGASA-N 1 0 276.424 3.218 20 10 CGCDRO CC[C@H](CCO)[NH2+][C@@H](CC)c1cc(Cl)ccc1O ZINC000775509999 628098782 /nfs/dbraw/zinc/09/87/82/628098782.db2.gz UEZGGIYEPZRUJM-YPMHNXCESA-N 1 0 271.788 3.247 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H]1CCCO1)c1cc(Cl)ccc1O ZINC000775483135 628099053 /nfs/dbraw/zinc/09/90/53/628099053.db2.gz MERWAXVOHLZMBV-AAEUAGOBSA-N 1 0 269.772 3.265 20 10 CGCDRO CC[C@H]([NH2+]C1CCN(C2CCC2)CC1)c1ccccc1O ZINC000775497376 628101332 /nfs/dbraw/zinc/10/13/32/628101332.db2.gz PKTHCJKPCORURV-KRWDZBQOSA-N 1 0 288.435 3.450 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](CCO)C(C)C)c1cc(Cl)ccc1O ZINC000775507768 628101761 /nfs/dbraw/zinc/10/17/61/628101761.db2.gz DYHOQSPDPOGVAW-KGLIPLIRSA-N 1 0 285.815 3.493 20 10 CGCDRO CC[C@H]([NH2+]C[C@](C)(O)CC)c1cc(Cl)ccc1O ZINC000775502844 628101990 /nfs/dbraw/zinc/10/19/90/628101990.db2.gz WLBYEGKZGLIZMR-GXTWGEPZSA-N 1 0 271.788 3.247 20 10 CGCDRO CC[C@H]([NH2+]Cc1cc(C)ncn1)c1cc(Cl)ccc1O ZINC000775522962 628103309 /nfs/dbraw/zinc/10/33/09/628103309.db2.gz CWQGKMUXXTUUQI-AWEZNQCLSA-N 1 0 291.782 3.385 20 10 CGCDRO COc1ccc(O)c(C[N@H+](C)Cc2ccccc2C)c1 ZINC000775642281 628118443 /nfs/dbraw/zinc/11/84/43/628118443.db2.gz JHOOCSFBWLPPMM-UHFFFAOYSA-N 1 0 271.360 3.341 20 10 CGCDRO Cc1cccc(CN2CC[NH+](CCC(C)(C)C)CC2)c1O ZINC000775659191 628121179 /nfs/dbraw/zinc/12/11/79/628121179.db2.gz FMYICVHLPMDRHJ-UHFFFAOYSA-N 1 0 290.451 3.254 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H]3COCC[C@H]32)c1O ZINC000775736151 628131270 /nfs/dbraw/zinc/13/12/70/628131270.db2.gz NXZJARDYAFIDCS-SWLSCSKDSA-N 1 0 295.810 3.355 20 10 CGCDRO CCCCOC(=O)CC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000775834581 628140994 /nfs/dbraw/zinc/14/09/94/628140994.db2.gz VCBFYMUBZPLAQG-CQSZACIVSA-N 1 0 292.423 3.137 20 10 CGCDRO Cc1cccc(C[NH2+][C@H](C)COc2ccccc2)c1O ZINC000776174592 628175862 /nfs/dbraw/zinc/17/58/62/628175862.db2.gz ORALGPOBSIABSP-CQSZACIVSA-N 1 0 271.360 3.258 20 10 CGCDRO C[N@H+](Cc1ccc(Cl)cn1)Cc1ccccc1O ZINC000778219653 628334643 /nfs/dbraw/zinc/33/46/43/628334643.db2.gz IZVKEKBEHQNYQA-UHFFFAOYSA-N 1 0 262.740 3.073 20 10 CGCDRO Cc1ccc(C[N@H+](Cc2ccccc2O)C2CC2)o1 ZINC000778996509 628381640 /nfs/dbraw/zinc/38/16/40/628381640.db2.gz SBHSWAIKMFCCIK-UHFFFAOYSA-N 1 0 257.333 3.458 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1CCn2ccnc2C1)c1ccc(N(C)C)cc1 ZINC000779067621 628386529 /nfs/dbraw/zinc/38/65/29/628386529.db2.gz XURZRNYGJRCZQA-NVXWUHKLSA-N 1 0 298.434 3.005 20 10 CGCDRO CCOC[C@H](C)[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000779072166 628386592 /nfs/dbraw/zinc/38/65/92/628386592.db2.gz JGUASOCVBDRQMS-JBLDHEPKSA-N 1 0 267.344 3.094 20 10 CGCDRO CCOC[C@H](C)[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000779072167 628386865 /nfs/dbraw/zinc/38/68/65/628386865.db2.gz JGUASOCVBDRQMS-JFGNBEQYSA-N 1 0 267.344 3.094 20 10 CGCDRO CCOC[C@H](C)[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000779075208 628387116 /nfs/dbraw/zinc/38/71/16/628387116.db2.gz WUQBGSGMGZNMLE-AAEUAGOBSA-N 1 0 251.370 3.085 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](C(C)C)C2)cc1OC ZINC000780499498 628493047 /nfs/dbraw/zinc/49/30/47/628493047.db2.gz SIYQSYSVRHNWNC-ZDUSSCGKSA-N 1 0 293.407 3.277 20 10 CGCDRO CCOCc1cc(C[NH2+]C[C@H]2CCC=CO2)ccc1OC ZINC000780566690 628501404 /nfs/dbraw/zinc/50/14/04/628501404.db2.gz HXPCRHYCOZXVBP-MRXNPFEDSA-N 1 0 291.391 3.014 20 10 CGCDRO C[C@@H](O)C[C@H](C)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000782977540 628670671 /nfs/dbraw/zinc/67/06/71/628670671.db2.gz HDSURHFTNRORCE-UONOGXRCSA-N 1 0 285.387 3.308 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CC2(N(C)C)CCC2)c(O)c1C ZINC000783313702 628703139 /nfs/dbraw/zinc/70/31/39/628703139.db2.gz DYLJBMYKGOTKPD-AWEZNQCLSA-N 1 0 276.424 3.144 20 10 CGCDRO C[C@H]([NH2+][C@@H](C)c1ccccc1O)c1cncc(F)c1 ZINC000783532959 628722568 /nfs/dbraw/zinc/72/25/68/628722568.db2.gz LGMBAWWSESHIPV-QWRGUYRKSA-N 1 0 260.312 3.338 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H]2CCCCS2)c1 ZINC000784615185 628825196 /nfs/dbraw/zinc/82/51/96/628825196.db2.gz DYHFJYNKRNHJFA-AWEZNQCLSA-N 1 0 281.421 3.166 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)[C@@H]1CO ZINC000785984168 628906040 /nfs/dbraw/zinc/90/60/40/628906040.db2.gz HHJDNEYZOKWEHK-RDTXWAMCSA-N 1 0 297.398 3.262 20 10 CGCDRO CC[C@@H]([NH2+]CCOC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000788980027 629093470 /nfs/dbraw/zinc/09/34/70/629093470.db2.gz KDWKEUJBGKJQGM-CYBMUJFWSA-N 1 0 290.329 3.330 20 10 CGCDRO C[N@H+](Cc1ccc(-c2cc[nH]n2)o1)Cc1ccccc1O ZINC000789726245 629164677 /nfs/dbraw/zinc/16/46/77/629164677.db2.gz BXGDGBQXISJEIT-UHFFFAOYSA-N 1 0 283.331 3.007 20 10 CGCDRO CC[C@H]([NH2+]CCCCCO)c1cc(Cl)ccc1O ZINC000790496719 629213558 /nfs/dbraw/zinc/21/35/58/629213558.db2.gz ZJESNVYSYZNCBL-ZDUSSCGKSA-N 1 0 271.788 3.249 20 10 CGCDRO C[C@H](O)C[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000790934633 629242011 /nfs/dbraw/zinc/24/20/11/629242011.db2.gz PVOABYWPTTUSLX-FZMZJTMJSA-N 1 0 283.799 3.171 20 10 CGCDRO CC1(C)C[N@H+](Cc2cc(-c3ccccc3)ccc2O)C[C@H]1O ZINC000790937201 629242417 /nfs/dbraw/zinc/24/24/17/629242417.db2.gz IBZDHTZWANCVQZ-GOSISDBHSA-N 1 0 297.398 3.262 20 10 CGCDRO CCCN(Cc1cnc(C2CC2)o1)c1ccc(C[NH3+])cc1 ZINC000862348140 629346417 /nfs/dbraw/zinc/34/64/17/629346417.db2.gz CJFJBHMUWBJJKE-UHFFFAOYSA-N 1 0 285.391 3.427 20 10 CGCDRO COCC[N@H+](Cc1cccc(C)c1O)[C@H]1CC[C@@H](C)C1 ZINC000792193155 629347986 /nfs/dbraw/zinc/34/79/86/629347986.db2.gz RJRSIYRTKQGJRG-CJNGLKHVSA-N 1 0 277.408 3.338 20 10 CGCDRO Cc1ncc(C[NH2+][C@H](C)Cc2ccc(N(C)C)cc2C)o1 ZINC000862394779 629361064 /nfs/dbraw/zinc/36/10/64/629361064.db2.gz QSPKHVHFDLADPS-CYBMUJFWSA-N 1 0 287.407 3.078 20 10 CGCDRO C[C@H]1COC(C)(C)C[N@@H+]1Cc1cc2c(cc1O)CCCC2 ZINC000792726796 629377812 /nfs/dbraw/zinc/37/78/12/629377812.db2.gz XKDLJSSWRMWUHI-ZDUSSCGKSA-N 1 0 289.419 3.270 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]CCCc2ccc3c(c2)CCO3)c1 ZINC000862478611 629384742 /nfs/dbraw/zinc/38/47/42/629384742.db2.gz JWTZVAJSBSAIMH-UHFFFAOYSA-N 1 0 297.398 3.358 20 10 CGCDRO Oc1c(C[N@@H+]2CCO[C@@H](CCF)C2)ccc2ccccc21 ZINC000862529417 629391755 /nfs/dbraw/zinc/39/17/55/629391755.db2.gz DRCJCUHEFWSYCS-HNNXBMFYSA-N 1 0 289.350 3.106 20 10 CGCDRO CO[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N(C)C)cc2C)C1 ZINC000792976946 629398901 /nfs/dbraw/zinc/39/89/01/629398901.db2.gz GWRRXBHPGKJHDP-NVXWUHKLSA-N 1 0 276.424 3.108 20 10 CGCDRO COc1ccc(C[NH2+]Cc2cncc3ccccc32)c(O)c1 ZINC000793386795 629453206 /nfs/dbraw/zinc/45/32/06/629453206.db2.gz ZTGGNPOCNJBSAA-UHFFFAOYSA-N 1 0 294.354 3.239 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CS[C@@H](C(C)C)C2)c(O)c1 ZINC000793390349 629453750 /nfs/dbraw/zinc/45/37/50/629453750.db2.gz PFGMSFDVOHBGIM-SWLSCSKDSA-N 1 0 281.421 3.021 20 10 CGCDRO COc1cccc(O)c1C[N@H+](CC1CC1)C1CCC1 ZINC000793395032 629454054 /nfs/dbraw/zinc/45/40/54/629454054.db2.gz OZYCQNSUWMYHAX-UHFFFAOYSA-N 1 0 261.365 3.165 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c1O ZINC000793525301 629474843 /nfs/dbraw/zinc/47/48/43/629474843.db2.gz HXOHLRFGUZWAGR-HIFRSBDPSA-N 1 0 297.345 3.186 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cccnc1N(C)C)c1ccc(C)cc1O ZINC000794795711 629577366 /nfs/dbraw/zinc/57/73/66/629577366.db2.gz IELONQNIVOSFNG-MRXNPFEDSA-N 1 0 299.418 3.403 20 10 CGCDRO CC[C@@H]([NH2+]C[C@]1(C)CCOC1)c1ccc(C)cc1O ZINC000794803622 629579021 /nfs/dbraw/zinc/57/90/21/629579021.db2.gz BPOIFHPVIKXUPO-ZBFHGGJFSA-N 1 0 263.381 3.168 20 10 CGCDRO CC[C@H]([NH2+]CCN1CC=CCC1)c1ccc(N(C)C)cc1 ZINC000794831103 629582808 /nfs/dbraw/zinc/58/28/08/629582808.db2.gz CLIZAGLBTRGORL-SFHVURJKSA-N 1 0 287.451 3.055 20 10 CGCDRO C[C@H]1C[C@H]([NH2+]Cc2cccnc2F)c2c1c(F)ccc2O ZINC000794832104 629583778 /nfs/dbraw/zinc/58/37/78/629583778.db2.gz CEVDEBUGIKJJKZ-CABZTGNLSA-N 1 0 290.313 3.404 20 10 CGCDRO CC1=C(C)C[N@H+](Cc2c(O)ccc3ccncc32)CC1 ZINC000794882689 629594010 /nfs/dbraw/zinc/59/40/10/629594010.db2.gz UCPSWDOUUPQLBN-UHFFFAOYSA-N 1 0 268.360 3.483 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cnn3ccccc23)c1 ZINC000797053117 629878174 /nfs/dbraw/zinc/87/81/74/629878174.db2.gz OWZWDIOVDGTMGU-CYBMUJFWSA-N 1 0 281.359 3.199 20 10 CGCDRO Oc1ccccc1C[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000798494081 630060034 /nfs/dbraw/zinc/06/00/34/630060034.db2.gz IXRNQWTYXYTTDR-FVQBIDKESA-N 1 0 275.392 3.077 20 10 CGCDRO Oc1cccc(Cl)c1C[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000798962956 630128972 /nfs/dbraw/zinc/12/89/72/630128972.db2.gz UJWGRCNRLPQKCR-LBPRGKRZSA-N 1 0 288.778 3.430 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@H+]2CCCC[C@H]2c2ccnn2C)c1 ZINC000799148078 630150146 /nfs/dbraw/zinc/15/01/46/630150146.db2.gz KQNUMFIEBCYCSN-KRWDZBQOSA-N 1 0 299.418 3.470 20 10 CGCDRO c1ccc([C@@H]2OCC[C@H]2[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000865650447 630252853 /nfs/dbraw/zinc/25/28/53/630252853.db2.gz KNDMQSYWHPFFCS-MJGOQNOKSA-N 1 0 295.382 3.241 20 10 CGCDRO C[C@]12C[C@H]1CCC[C@H]2[NH2+]Cc1ccc2c(c1)CCO2 ZINC000800477432 630283776 /nfs/dbraw/zinc/28/37/76/630283776.db2.gz ZXUMCVVZKYWPGP-OIISXLGYSA-N 1 0 257.377 3.290 20 10 CGCDRO CO[C@H]1CC[N@H+](Cc2cc(C)cc(C)c2O)CC1(C)C ZINC000840122998 630604823 /nfs/dbraw/zinc/60/48/23/630604823.db2.gz GHAVZOYOYPLYMG-HNNXBMFYSA-N 1 0 277.408 3.256 20 10 CGCDRO CCOCC(C)(C)C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000808449447 630646305 /nfs/dbraw/zinc/64/63/05/630646305.db2.gz BJNFDLQOQYWPNU-UHFFFAOYSA-N 1 0 282.403 3.044 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C2CCN(C)CC2)c1O ZINC000808673112 630663341 /nfs/dbraw/zinc/66/33/41/630663341.db2.gz XSOPMCVBGQCNQE-LLVKDONJSA-N 1 0 282.815 3.099 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](CO)CC(C)C)c1O ZINC000808680020 630663979 /nfs/dbraw/zinc/66/39/79/630663979.db2.gz GXJZKJKPZKZXIZ-WCQYABFASA-N 1 0 285.815 3.412 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCN(C)C(C)C)c1O ZINC000808692612 630665166 /nfs/dbraw/zinc/66/51/66/630665166.db2.gz YRNZTQIBFGVRGK-GFCCVEGCSA-N 1 0 284.831 3.345 20 10 CGCDRO Cc1c(C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)cnn1C ZINC000808709749 630668472 /nfs/dbraw/zinc/66/84/72/630668472.db2.gz ZBFSSMXLKROKIQ-JTQLQIEISA-N 1 0 293.798 3.247 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCC2CC(O)C2)c1O ZINC000808715450 630669883 /nfs/dbraw/zinc/66/98/83/630669883.db2.gz FFFGVDJTXMQXHS-XSRFYTQQSA-N 1 0 283.799 3.166 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCOC[C@@H]2C)c1O ZINC000808716400 630670384 /nfs/dbraw/zinc/67/03/84/630670384.db2.gz NGLSXBFHBIOKMA-MJVIPROJSA-N 1 0 283.799 3.430 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H]2c2cccnc2)c1 ZINC000809728970 630793000 /nfs/dbraw/zinc/79/30/00/630793000.db2.gz NENUHKVBMMREBZ-MRXNPFEDSA-N 1 0 284.359 3.133 20 10 CGCDRO COc1cccc(C[NH2+]Cc2cc(F)c(F)c(F)c2)c1O ZINC000809739756 630796344 /nfs/dbraw/zinc/79/63/44/630796344.db2.gz DHASONLOUTYABS-UHFFFAOYSA-N 1 0 297.276 3.108 20 10 CGCDRO COc1cccc(C[NH2+]Cc2cccc3cnccc32)c1O ZINC000809740386 630796772 /nfs/dbraw/zinc/79/67/72/630796772.db2.gz XLLYQTIPGHZIBB-UHFFFAOYSA-N 1 0 294.354 3.239 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]CC[C@H](O)c1ccccc1 ZINC000809746976 630798123 /nfs/dbraw/zinc/79/81/23/630798123.db2.gz FNGFMRKGBDXGQS-INIZCTEOSA-N 1 0 291.778 3.259 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)COC)c1ccc(C(F)(F)F)cc1O ZINC000810208153 630853743 /nfs/dbraw/zinc/85/37/43/630853743.db2.gz SKZCFOJTIJSJGI-SKDRFNHKSA-N 1 0 291.313 3.487 20 10 CGCDRO Cc1cc([C@H](C)[NH2+]CCCSc2nccs2)no1 ZINC000810220027 630856144 /nfs/dbraw/zinc/85/61/44/630856144.db2.gz ZRCBSILQUSQTRO-JTQLQIEISA-N 1 0 283.422 3.273 20 10 CGCDRO CC[N@@H+](Cc1cc(C(C)(C)C)cc(O)c1O)C[C@@H](C)OC ZINC000812303049 631236438 /nfs/dbraw/zinc/23/64/38/631236438.db2.gz KHSIDUCHBACDFO-GFCCVEGCSA-N 1 0 295.423 3.252 20 10 CGCDRO CCOc1cccc(C[NH+]2CCC(C3CC3)CC2)c1O ZINC000814172182 631537377 /nfs/dbraw/zinc/53/73/77/631537377.db2.gz BUDGEKKHBCXHTI-UHFFFAOYSA-N 1 0 275.392 3.413 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2Cc3ccccc3O[C@@H](C)C2)c1 ZINC000814177667 631538785 /nfs/dbraw/zinc/53/87/85/631538785.db2.gz LIMPHDAWLVAZCD-AWEZNQCLSA-N 1 0 283.371 3.484 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000814178432 631540343 /nfs/dbraw/zinc/54/03/43/631540343.db2.gz POGWAZOEPWYKGB-CQSZACIVSA-N 1 0 295.810 3.294 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@H](OC)C2CC2)cc1F ZINC000815153032 631732037 /nfs/dbraw/zinc/73/20/37/631732037.db2.gz FWODVHPTUMANOB-KRWDZBQOSA-N 1 0 294.414 3.187 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)cn1 ZINC000815557526 631795396 /nfs/dbraw/zinc/79/53/96/631795396.db2.gz WWGQIYGOLNGXGQ-ZDUSSCGKSA-N 1 0 286.375 3.263 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCN2CCC[C@@H](C)C2)c(O)c1 ZINC000815559731 631795830 /nfs/dbraw/zinc/79/58/30/631795830.db2.gz OVOBLDPJLXKKCV-CJNGLKHVSA-N 1 0 290.451 3.392 20 10 CGCDRO CCc1nocc1C[N@@H+](CC)Cc1ccc(N(C)C)cc1 ZINC000816480085 631987336 /nfs/dbraw/zinc/98/73/36/631987336.db2.gz CLBMNCHOUJYXQL-UHFFFAOYSA-N 1 0 287.407 3.325 20 10 CGCDRO CC[C@@H](CCO)C[NH2+]Cc1ccc2ccccc2c1O ZINC000816557625 632011334 /nfs/dbraw/zinc/01/13/34/632011334.db2.gz WQOJJDWPBTZBQY-ZDUSSCGKSA-N 1 0 273.376 3.044 20 10 CGCDRO C[C@@H](O)[C@H]1CCC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816564365 632013601 /nfs/dbraw/zinc/01/36/01/632013601.db2.gz COEVEDSMEQGISL-HIFRSBDPSA-N 1 0 285.387 3.138 20 10 CGCDRO Oc1c(C[NH2+]CC[C@@H]2CCOC2)ccc2ccccc21 ZINC000816567961 632014536 /nfs/dbraw/zinc/01/45/36/632014536.db2.gz QJWXWNANBGDCDA-CYBMUJFWSA-N 1 0 271.360 3.062 20 10 CGCDRO C[N@H+](CCCn1ccnc1)Cc1ccc2ccccc2c1O ZINC000816611302 632022933 /nfs/dbraw/zinc/02/29/33/632022933.db2.gz MNMIPRVOSVLGEY-UHFFFAOYSA-N 1 0 295.386 3.264 20 10 CGCDRO CC[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc(OC)ccc2O)CCO1 ZINC000817414911 632145592 /nfs/dbraw/zinc/14/55/92/632145592.db2.gz LOJHKDRHYRUQDD-YNEHKIRRSA-N 1 0 279.380 3.009 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+]CCCC2(O)CCC2)cc1 ZINC000817414972 632145778 /nfs/dbraw/zinc/14/57/78/632145778.db2.gz PRVKTUIJWJJCBZ-UTCJRWHESA-N 1 0 288.435 3.051 20 10 CGCDRO CC[C@H]1C[C@@H]([NH2+]Cc2cc(C)c(C)cc2O)CCO1 ZINC000817415744 632146342 /nfs/dbraw/zinc/14/63/42/632146342.db2.gz XUSKRUGLHSTIOS-GJZGRUSLSA-N 1 0 263.381 3.056 20 10 CGCDRO CC[C@H]1C[C@H]([NH2+]Cc2cc(C)c(C)cc2O)CCO1 ZINC000817415743 632146598 /nfs/dbraw/zinc/14/65/98/632146598.db2.gz XUSKRUGLHSTIOS-CABCVRRESA-N 1 0 263.381 3.056 20 10 CGCDRO CC(C)=CCC[C@@H](C)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000817939146 632238690 /nfs/dbraw/zinc/23/86/90/632238690.db2.gz ZNJVVKQJJOAPIA-QAPCUYQASA-N 1 0 289.467 3.477 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)cc1 ZINC000817938677 632239762 /nfs/dbraw/zinc/23/97/62/632239762.db2.gz PLYJKAKVEXSMIP-BEFAXECRSA-N 1 0 297.446 3.412 20 10 CGCDRO CC[C@@H](NC[C@@H]1CCCC[NH2+]1)c1cc(Cl)ccc1O ZINC000817949316 632245256 /nfs/dbraw/zinc/24/52/56/632245256.db2.gz INBJMYDBMZNZIH-GXTWGEPZSA-N 1 0 282.815 3.228 20 10 CGCDRO Cc1cc([C@H](C)[NH2+]CCc2ccc(N)cc2)c(C)o1 ZINC000817955743 632250277 /nfs/dbraw/zinc/25/02/77/632250277.db2.gz GRJBYXWYSQOPSM-LBPRGKRZSA-N 1 0 258.365 3.372 20 10 CGCDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)c1cccc(F)c1 ZINC000817956196 632251182 /nfs/dbraw/zinc/25/11/82/632251182.db2.gz SXJJHFHAILXDKL-GFCCVEGCSA-N 1 0 258.340 3.301 20 10 CGCDRO COc1ccc2c(c1)[C@@H]([NH2+]CCc1ccc(N)cc1)CCC2 ZINC000817956246 632251251 /nfs/dbraw/zinc/25/12/51/632251251.db2.gz USXWBPVSWCWXBE-IBGZPJMESA-N 1 0 296.414 3.487 20 10 CGCDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)c1cccc([N+](=O)[O-])c1 ZINC000817955778 632251399 /nfs/dbraw/zinc/25/13/99/632251399.db2.gz HQOIQSZFFFJPQZ-GFCCVEGCSA-N 1 0 285.347 3.070 20 10 CGCDRO COc1ccc2c(c1)CCC[C@@H]2[NH2+]CCc1ccc(N)cc1 ZINC000817956364 632251408 /nfs/dbraw/zinc/25/14/08/632251408.db2.gz XKIFFPDPEORWFR-IBGZPJMESA-N 1 0 296.414 3.487 20 10 CGCDRO COc1cccc2c1CCC[C@@H]2[NH2+]CCc1ccc(N)cc1 ZINC000817957393 632252127 /nfs/dbraw/zinc/25/21/27/632252127.db2.gz LVXKWLLQTVAANI-SFHVURJKSA-N 1 0 296.414 3.487 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](CN)CC(C)C)c1O ZINC000817958919 632254519 /nfs/dbraw/zinc/25/45/19/632254519.db2.gz MSMMQPAKDXRJON-YPMHNXCESA-N 1 0 284.831 3.378 20 10 CGCDRO CC(C)[C@H]([NH3+])CN[C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000817958967 632254725 /nfs/dbraw/zinc/25/47/25/632254725.db2.gz NVEINIRFRQHDAE-CRAIPNDOSA-N 1 0 289.467 3.311 20 10 CGCDRO C[C@@H](NCC[NH2+]C1CCCCCC1)c1ccccc1O ZINC000817960872 632256355 /nfs/dbraw/zinc/25/63/55/632256355.db2.gz SDEYGHHSKXVIQC-CQSZACIVSA-N 1 0 276.424 3.355 20 10 CGCDRO CCCC[C@@H](CN)[NH2+][C@H](CC)c1ccc(N(C)C)cc1 ZINC000817962523 632257968 /nfs/dbraw/zinc/25/79/68/632257968.db2.gz JNWNHIIRVRYFCZ-DOTOQJQBSA-N 1 0 277.456 3.311 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1cccc(Cl)c1[O-] ZINC000817968471 632262001 /nfs/dbraw/zinc/26/20/01/632262001.db2.gz JYDRNUJNEWJEDC-FZMZJTMJSA-N 1 0 282.815 3.228 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H]1NCCc2ccccc21)c1ccccc1O ZINC000817975638 632267184 /nfs/dbraw/zinc/26/71/84/632267184.db2.gz XFAPKOGEKGLMCR-MSOLQXFVSA-N 1 0 296.414 3.320 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)N[C@H]2CCCC[NH2+]C2)c1O ZINC000817984077 632272503 /nfs/dbraw/zinc/27/25/03/632272503.db2.gz MNVKJJSLCFYJSR-YPMHNXCESA-N 1 0 282.815 3.147 20 10 CGCDRO CC[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(F)cc1[O-] ZINC000817986861 632275970 /nfs/dbraw/zinc/27/59/70/632275970.db2.gz VAHVFFJBCYIZCK-DZGCQCFKSA-N 1 0 292.398 3.247 20 10 CGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CC[C@@H](C)C3)C2)cc1 ZINC000818219219 632298987 /nfs/dbraw/zinc/29/89/87/632298987.db2.gz ANVYHBXWACSFAR-OAGGEKHMSA-N 1 0 288.435 3.300 20 10 CGCDRO Oc1cc2c(cc1C[NH2+][C@@H]1CCC[C@H](C3CC3)C1)OCO2 ZINC000818238050 632301284 /nfs/dbraw/zinc/30/12/84/632301284.db2.gz FGXDJODOLUZBIB-GXTWGEPZSA-N 1 0 289.375 3.179 20 10 CGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)CC3CC3)C2)cc1 ZINC000818344023 632311163 /nfs/dbraw/zinc/31/11/63/632311163.db2.gz HJLXDMBCJSSTBH-GOEBONIOSA-N 1 0 288.435 3.300 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]C(C)(C)[C@@H]2CCCCO2)c1 ZINC000865746143 632875438 /nfs/dbraw/zinc/87/54/38/632875438.db2.gz MDEKMRSSBDFTHX-INIZCTEOSA-N 1 0 293.407 3.228 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C(C)(C)[C@@H]2CCCCO2)cc1 ZINC000865745349 632875724 /nfs/dbraw/zinc/87/57/24/632875724.db2.gz GYFTYOIOYRHFOD-INIZCTEOSA-N 1 0 276.424 3.190 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H]2C[C@]2(F)c2ccccc2)c1O ZINC000822498476 632948978 /nfs/dbraw/zinc/94/89/78/632948978.db2.gz YYUCJWGRYBJDIE-WBVHZDCISA-N 1 0 271.335 3.428 20 10 CGCDRO COc1cccc2c1OCCC[C@@H]2[NH2+]Cc1ccccc1O ZINC000866253863 633046348 /nfs/dbraw/zinc/04/63/48/633046348.db2.gz OUHJIHACIRCPDV-HNNXBMFYSA-N 1 0 299.370 3.404 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCCC23CC3)c1O ZINC000866411105 633127311 /nfs/dbraw/zinc/12/73/11/633127311.db2.gz COAPHMZALWTKEV-SMDDNHRTSA-N 1 0 261.365 3.384 20 10 CGCDRO C[C@H]([NH2+]CC[C@@H](O)C(F)F)c1ccc2ccccc2c1O ZINC000866443145 633133587 /nfs/dbraw/zinc/13/35/87/633133587.db2.gz WRBWTSNWWVIJHE-IINYFYTJSA-N 1 0 295.329 3.212 20 10 CGCDRO CC[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCCN3C)CCO1 ZINC000823730005 633146100 /nfs/dbraw/zinc/14/61/00/633146100.db2.gz QAKZHTUMHKDCMX-DLBZAZTESA-N 1 0 288.435 3.116 20 10 CGCDRO C[C@@H](Cc1ccoc1)[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000823729958 633146176 /nfs/dbraw/zinc/14/61/76/633146176.db2.gz PQYCLWNFXYKQBU-AWEZNQCLSA-N 1 0 284.403 3.383 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccnc(F)c1)c1ccc(C)cc1O ZINC000866473119 633147313 /nfs/dbraw/zinc/14/73/13/633147313.db2.gz BEXWHDZVPPSXPC-AWEZNQCLSA-N 1 0 274.339 3.476 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+][C@H](C1CCC1)[C@H]1CCCO1)CC2 ZINC000866490986 633158684 /nfs/dbraw/zinc/15/86/84/633158684.db2.gz HEPMDJJOWNAIIK-QGPMSJSTSA-N 1 0 287.403 3.317 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)c1ccccc1O ZINC000866499577 633161071 /nfs/dbraw/zinc/16/10/71/633161071.db2.gz LTMDRTAAYAFQJV-GMTAPVOTSA-N 1 0 259.271 3.384 20 10 CGCDRO CC[C@@H]1C[C@@H]([NH2+]CCCSc2nccs2)CCO1 ZINC000823938321 633170686 /nfs/dbraw/zinc/17/06/86/633170686.db2.gz XCSXQXRPXXVLOU-NWDGAFQWSA-N 1 0 286.466 3.173 20 10 CGCDRO CC[C@@H]([NH2+][C@H]1CCCn2nccc21)c1ccccc1O ZINC000866633091 633222176 /nfs/dbraw/zinc/22/21/76/633222176.db2.gz FOLRSBSSDKPWNC-KGLIPLIRSA-N 1 0 271.364 3.165 20 10 CGCDRO CC[C@H](C[C@H](C)O)[NH2+][C@H](CC)c1ccc(N(C)C)cc1 ZINC000866634750 633223723 /nfs/dbraw/zinc/22/37/23/633223723.db2.gz IQACWFNHFIBCSQ-YSVLISHTSA-N 1 0 278.440 3.343 20 10 CGCDRO COc1cccc(C[N@@H+]2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)c1O ZINC000824703128 633276877 /nfs/dbraw/zinc/27/68/77/633276877.db2.gz WFZYWUQRQRDKAE-FHIHXZLISA-N 1 0 285.387 3.045 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)c1 ZINC000824702520 633276930 /nfs/dbraw/zinc/27/69/30/633276930.db2.gz MVUVHRHJRICGRZ-YUFPNPJJSA-N 1 0 285.387 3.045 20 10 CGCDRO CN(C)c1ccc(C[N@H+](Cc2ccc(=O)[nH]c2)C2CC2)cc1 ZINC000876570922 634860407 /nfs/dbraw/zinc/86/04/07/634860407.db2.gz PWGUAWKHHSUPPN-UHFFFAOYSA-N 1 0 297.402 3.018 20 10 CGCDRO CC[C@@H]1C[C@H]1C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000824783295 633289768 /nfs/dbraw/zinc/28/97/68/633289768.db2.gz ISPDFMLQKYDQBZ-CABCVRRESA-N 1 0 288.435 3.300 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H](C(C)C)[C@@H](CO)C(C)C)c1 ZINC000824845166 633300172 /nfs/dbraw/zinc/30/01/72/633300172.db2.gz ILYFZMDDGQUOBE-DOTOQJQBSA-N 1 0 279.424 3.079 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCSC[C@@H]2C2CC2)cc1F ZINC000824914799 633305255 /nfs/dbraw/zinc/30/52/55/633305255.db2.gz ZMSAYIAZGSGAQH-MRXNPFEDSA-N 1 0 294.439 3.219 20 10 CGCDRO CCOc1cccc(C[N@@H+]2C[C@@H](C3CC3)[C@H]2C2CC2)c1O ZINC000824941445 633309093 /nfs/dbraw/zinc/30/90/93/633309093.db2.gz NQUFTNHGAWBSJT-DOTOQJQBSA-N 1 0 287.403 3.411 20 10 CGCDRO COc1cccc(C[N@@H+]2C[C@@H](C3CC3)[C@@H]2C2CC2)c1O ZINC000824941361 633309158 /nfs/dbraw/zinc/30/91/58/633309158.db2.gz MSMRTWKOTJUFLN-HOCLYGCPSA-N 1 0 273.376 3.021 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2C[C@H]2C(C)C)c1 ZINC000824978433 633313733 /nfs/dbraw/zinc/31/37/33/633313733.db2.gz WCXGHYACVWITNM-DYEKYZERSA-N 1 0 263.381 3.344 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C2CCSCC2)cc1Cl ZINC000825247529 633339643 /nfs/dbraw/zinc/33/96/43/633339643.db2.gz UEOSECKLBMVUSC-UHFFFAOYSA-N 1 0 271.813 3.339 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](COC)CC2)c1 ZINC000825321738 633344942 /nfs/dbraw/zinc/34/49/42/633344942.db2.gz MLDCDQARQKNQGW-CQSZACIVSA-N 1 0 293.407 3.039 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@]2(C)CCO[C@@H]2C2CC2)cc1Cl ZINC000825502286 633358396 /nfs/dbraw/zinc/35/83/96/633358396.db2.gz VWCRLWJOZYELBZ-HZPDHXFCSA-N 1 0 295.810 3.401 20 10 CGCDRO Cc1cc(O)c(C[N@H+](CC(C)(C)O)C2CC2)cc1Cl ZINC000825563560 633365096 /nfs/dbraw/zinc/36/50/96/633365096.db2.gz ZHGYRGHWSPEIBL-UHFFFAOYSA-N 1 0 283.799 3.089 20 10 CGCDRO COC1CC(CC[NH2+]Cc2ccc3ccccc3c2O)C1 ZINC000826795656 633433403 /nfs/dbraw/zinc/43/34/03/633433403.db2.gz CJQRUKUYZHDCSV-UHFFFAOYSA-N 1 0 285.387 3.450 20 10 CGCDRO COCCC1C[NH+](Cc2ccc3ccccc3c2O)C1 ZINC000826894782 633441284 /nfs/dbraw/zinc/44/12/84/633441284.db2.gz WOVOBSRWVNDLJX-UHFFFAOYSA-N 1 0 271.360 3.014 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H]2CCN(C3CCCCC3)C2)c1O ZINC000827261068 633475854 /nfs/dbraw/zinc/47/58/54/633475854.db2.gz UFGQJCUHXWTCFC-MRXNPFEDSA-N 1 0 288.435 3.197 20 10 CGCDRO Cc1ccc(O)c(C[NH+]2CCC([C@@H]3CCCCO3)CC2)c1 ZINC000827376870 633486502 /nfs/dbraw/zinc/48/65/02/633486502.db2.gz JRYSTETWGLTDDN-SFHVURJKSA-N 1 0 289.419 3.482 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C(C1CC1)C1CC1 ZINC000122681266 633490881 /nfs/dbraw/zinc/49/08/81/633490881.db2.gz GESXHSSBVCKTNX-UHFFFAOYSA-N 1 0 258.409 3.339 20 10 CGCDRO CCCN1CC[C@@H]([NH2+]Cc2ccc3ccccc3c2O)C1 ZINC000827519083 633496003 /nfs/dbraw/zinc/49/60/03/633496003.db2.gz JOWOBTGSXQFEGB-MRXNPFEDSA-N 1 0 284.403 3.119 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]C1CCSCC1 ZINC000122728605 633501501 /nfs/dbraw/zinc/50/15/01/633501501.db2.gz JBQBMXMNHACNHC-UHFFFAOYSA-N 1 0 257.786 3.031 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H]3COC[C@H]3C2)cc1 ZINC000827595821 633501808 /nfs/dbraw/zinc/50/18/08/633501808.db2.gz RDANCLIIZCHAEG-IAGOWNOFSA-N 1 0 288.435 3.001 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CC2SCCS2)cc1Cl ZINC000827620003 633504679 /nfs/dbraw/zinc/50/46/79/633504679.db2.gz BQCWHXBCMCJOST-UHFFFAOYSA-N 1 0 289.853 3.250 20 10 CGCDRO Cc1cc(C[NH2+][C@H](C)[C@H](C)CO)ccc1N1CCCCC1 ZINC000828846759 633660646 /nfs/dbraw/zinc/66/06/46/633660646.db2.gz RKAARAMOGBSYGJ-HZPDHXFCSA-N 1 0 290.451 3.092 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)cc1 ZINC000828905257 633668046 /nfs/dbraw/zinc/66/80/46/633668046.db2.gz MEQTXJPVGDSWLB-WMZOPIPTSA-N 1 0 288.435 3.144 20 10 CGCDRO CC[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)CCO1 ZINC000830161029 633834160 /nfs/dbraw/zinc/83/41/60/633834160.db2.gz KKPILFMDWNLXAP-WMZOPIPTSA-N 1 0 288.435 3.334 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)c(C)c1)[C@H]1CCCOC1 ZINC000872046518 633969463 /nfs/dbraw/zinc/96/94/63/633969463.db2.gz XXJGLVRMRAVZGX-IRXDYDNUSA-N 1 0 290.451 3.356 20 10 CGCDRO C[C@H](O)[C@@H]([NH2+][C@@H](C)c1ccccc1O)c1ccccc1F ZINC000846184536 636154520 /nfs/dbraw/zinc/15/45/20/636154520.db2.gz UNDXAFCFXNPMEN-NVGCLXPQSA-N 1 0 289.350 3.304 20 10 CGCDRO CCC[C@H](C)[C@H](CO)[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000846182841 636154982 /nfs/dbraw/zinc/15/49/82/636154982.db2.gz DWHWQYXRYPJAIL-YDHLFZDLSA-N 1 0 265.397 3.148 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]CC2(OC(C)C)CCC2)c1O ZINC000872115370 634040420 /nfs/dbraw/zinc/04/04/20/634040420.db2.gz KAHGJCLQDOPHEW-ZDUSSCGKSA-N 1 0 293.407 3.399 20 10 CGCDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872261908 634091943 /nfs/dbraw/zinc/09/19/43/634091943.db2.gz KBQDSUOAINLNLO-INIZCTEOSA-N 1 0 293.382 3.455 20 10 CGCDRO C[C@H](C[NH2+][C@@H]1CCc2cccc(O)c21)N1CCC[C@@H](C)C1 ZINC000834514664 634174893 /nfs/dbraw/zinc/17/48/93/634174893.db2.gz VRWMDYWVWXGPNG-IIAWOOMASA-N 1 0 288.435 3.090 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]CCc1c(F)cccc1F)CC2 ZINC000834519554 634175703 /nfs/dbraw/zinc/17/57/03/634175703.db2.gz VYFZQOAXFPGRLN-OAHLLOKOSA-N 1 0 289.325 3.490 20 10 CGCDRO CC(C)CC[C@@](C)(O)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834599420 634194910 /nfs/dbraw/zinc/19/49/10/634194910.db2.gz YNAPPEYOXVCOFF-WMLDXEAASA-N 1 0 277.408 3.156 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCc2cccc(O)c21)C1CCOCC1 ZINC000834613081 634198666 /nfs/dbraw/zinc/19/86/66/634198666.db2.gz YSCSEDFMPZPHJM-GJZGRUSLSA-N 1 0 275.392 3.174 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]CCNc1ccccc1)CC2 ZINC000834617147 634198724 /nfs/dbraw/zinc/19/87/24/634198724.db2.gz WPLJKOAQKYVEIS-HNNXBMFYSA-N 1 0 268.360 3.081 20 10 CGCDRO Cc1ccsc1[C@@H](CO)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834676697 634216859 /nfs/dbraw/zinc/21/68/59/634216859.db2.gz XZUWJZQOVHFVOS-QWHCGFSZSA-N 1 0 289.400 3.073 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@@H](C)C[C@@H](C)O)cc1C ZINC000873103072 634245801 /nfs/dbraw/zinc/24/58/01/634245801.db2.gz WRHGTTFHXILCAT-UONOGXRCSA-N 1 0 265.397 3.033 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@H]2CCOC[C@H]2C)cc1C ZINC000873114688 634249171 /nfs/dbraw/zinc/24/91/71/634249171.db2.gz QAOACJIPJOQUHA-ZBFHGGJFSA-N 1 0 277.408 3.298 20 10 CGCDRO CC[C@H]([NH2+]Cc1nccn1CC)c1ccc(N(C)C)cc1 ZINC000834880101 634263680 /nfs/dbraw/zinc/26/36/80/634263680.db2.gz JMBCRWSXPPXWIF-INIZCTEOSA-N 1 0 286.423 3.210 20 10 CGCDRO CC[C@](C)(C[NH2+][C@H](C)c1ccc(C)c(C)c1O)OC ZINC000834882001 634264869 /nfs/dbraw/zinc/26/48/69/634264869.db2.gz HSPQQKKOVSDIBM-CZUORRHYSA-N 1 0 265.397 3.475 20 10 CGCDRO Cc1cccnc1CCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834882616 634265479 /nfs/dbraw/zinc/26/54/79/634265479.db2.gz BTWPDWOUYIAVQP-MRXNPFEDSA-N 1 0 282.387 3.305 20 10 CGCDRO COc1cccc(O)c1C[NH2+]C1CC(Nc2ccccc2)C1 ZINC000873191505 634277603 /nfs/dbraw/zinc/27/76/03/634277603.db2.gz VCQHGEHJHNWJJR-UHFFFAOYSA-N 1 0 298.386 3.134 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2COCC2(C)C)cc1 ZINC000834904920 634281616 /nfs/dbraw/zinc/28/16/16/634281616.db2.gz QYTPOKVWTLINCT-BBRMVZONSA-N 1 0 276.424 3.218 20 10 CGCDRO CCOc1ccc(CNc2ccc([C@@H]3C[C@H]3[NH3+])cc2)c(O)c1 ZINC000873218049 634287632 /nfs/dbraw/zinc/28/76/32/634287632.db2.gz VRYMUSUMEKZKNP-DLBZAZTESA-N 1 0 298.386 3.218 20 10 CGCDRO Cc1cc(N(C)C)ccc1CNc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000873215665 634287716 /nfs/dbraw/zinc/28/77/16/634287716.db2.gz KPSUHFFZKIZRPW-RBUKOAKNSA-N 1 0 295.430 3.488 20 10 CGCDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC000835028152 634325852 /nfs/dbraw/zinc/32/58/52/634325852.db2.gz KCKWOZKVGMYDMZ-HRHLHYAFSA-N 1 0 288.435 3.001 20 10 CGCDRO CN(C)c1ccc(/C=C/C[N@H+](C)C[C@H]2CCCCO2)cc1 ZINC000835029087 634326405 /nfs/dbraw/zinc/32/64/05/634326405.db2.gz UUTXCOQQPMADEP-IPLHWJFFSA-N 1 0 288.435 3.267 20 10 CGCDRO CN(C)c1ccc(/C=C\C[N@H+](C)C[C@@H]2CCCOC2)cc1 ZINC000835029681 634326471 /nfs/dbraw/zinc/32/64/71/634326471.db2.gz YUGKYUSQLJCBLW-AATOQMJSSA-N 1 0 288.435 3.124 20 10 CGCDRO CCOCC[N@H+](CC)C/C=C\c1ccc(N(C)C)cc1 ZINC000835029612 634326486 /nfs/dbraw/zinc/32/64/86/634326486.db2.gz YADMFUAXSOEZAI-FPLPWBNLSA-N 1 0 276.424 3.124 20 10 CGCDRO CCOCCCC[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835034541 634327541 /nfs/dbraw/zinc/32/75/41/634327541.db2.gz BEIOCSSQTAHDHC-BQYQJAHWSA-N 1 0 276.424 3.172 20 10 CGCDRO C[C@@H](O)CC(C)(C)C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835041127 634329389 /nfs/dbraw/zinc/32/93/89/634329389.db2.gz VQNZFFVFNJWTMC-IDTUSYRASA-N 1 0 290.451 3.153 20 10 CGCDRO CC[C@H]([NH2+]C/C=C\c1ccc(N(C)C)cc1)[C@H]1CCCO1 ZINC000835040411 634329636 /nfs/dbraw/zinc/32/96/36/634329636.db2.gz CCMPSFGECABNPQ-QGNVGDHZSA-N 1 0 288.435 3.313 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@H]2CCC=CO2)cc1 ZINC000835044838 634331431 /nfs/dbraw/zinc/33/14/31/634331431.db2.gz GVLUOYYIXCRQEQ-FUTAKVPZSA-N 1 0 272.392 3.048 20 10 CGCDRO C[C@H]([NH2+]C/C=C/c1ccc(N(C)C)cc1)[C@@H]1CCCOC1 ZINC000835044029 634331796 /nfs/dbraw/zinc/33/17/96/634331796.db2.gz GKOOGCMPPMKAKL-BWTRYIQHSA-N 1 0 288.435 3.171 20 10 CGCDRO CCOC(C)(C)C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835045701 634332262 /nfs/dbraw/zinc/33/22/62/634332262.db2.gz OJKRFDYKWRWAJM-BQYQJAHWSA-N 1 0 276.424 3.171 20 10 CGCDRO CCC(CC)(CCO)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835049814 634335299 /nfs/dbraw/zinc/33/52/99/634335299.db2.gz LXXYGVLFZAEAPT-BQYQJAHWSA-N 1 0 290.451 3.297 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH+]2CCC(F)(F)CC2)cc1 ZINC000835054130 634338472 /nfs/dbraw/zinc/33/84/72/634338472.db2.gz NNASFIRTKMUUMI-ONEGZZNKSA-N 1 0 280.362 3.497 20 10 CGCDRO CC(C)N(C)C[C@H](C)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835055880 634339489 /nfs/dbraw/zinc/33/94/89/634339489.db2.gz OWVHYRGUTPXVRP-PTZVLDCSSA-N 1 0 289.467 3.084 20 10 CGCDRO COC[C@@H]1CCCC[N@@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC000835055077 634339674 /nfs/dbraw/zinc/33/96/74/634339674.db2.gz QJULJQWNVYNDIL-MJRGOJFPSA-N 1 0 288.435 3.267 20 10 CGCDRO Cc1ccc(C[N@@H+](Cc2ccccc2)C[C@@H](C)O)c(O)c1 ZINC000876618905 634869255 /nfs/dbraw/zinc/86/92/55/634869255.db2.gz IRKSQXMZXZUWGK-OAHLLOKOSA-N 1 0 285.387 3.084 20 10 CGCDRO Cc1cccc(O)c1C[NH+]1CCC(OC(C)C)CC1 ZINC000876631575 634871157 /nfs/dbraw/zinc/87/11/57/634871157.db2.gz WESNJGYWCMGQOS-UHFFFAOYSA-N 1 0 263.381 3.090 20 10 CGCDRO Cc1ccc(C[N@@H+](C)[C@H](C)Cc2ccc(O)cc2)c(O)c1 ZINC000876724427 634887191 /nfs/dbraw/zinc/88/71/91/634887191.db2.gz WQUIVWXDSJTADM-CQSZACIVSA-N 1 0 285.387 3.469 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]CCCNc1ccccc1 ZINC000876874502 634917726 /nfs/dbraw/zinc/91/77/26/634917726.db2.gz GEUXOWRDTJQHIY-UHFFFAOYSA-N 1 0 270.376 3.292 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]C[C@@H](O)c1ccc(Cl)cc1 ZINC000876911680 634927211 /nfs/dbraw/zinc/92/72/11/634927211.db2.gz KLMKVSGMIPZAMZ-MRXNPFEDSA-N 1 0 291.778 3.177 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2ccc(OCC3CC3)nc2)c(O)c1 ZINC000876999370 634946481 /nfs/dbraw/zinc/94/64/81/634946481.db2.gz TYRMJZKXPRPGAJ-UHFFFAOYSA-N 1 0 298.386 3.174 20 10 CGCDRO CS[C@@H]1CCC[C@@H]([NH2+]Cc2c(C)cccc2O)C1 ZINC000877035172 634958107 /nfs/dbraw/zinc/95/81/07/634958107.db2.gz CZVXNLKSJNCUDH-CHWSQXEVSA-N 1 0 265.422 3.464 20 10 CGCDRO CSc1cc(C[NH2+]Cc2c(C)cccc2O)ccn1 ZINC000877165969 635005160 /nfs/dbraw/zinc/00/51/60/635005160.db2.gz NQAQHEGDQDHDML-UHFFFAOYSA-N 1 0 274.389 3.107 20 10 CGCDRO Cc1ccc(C[NH2+]C[C@H]2CCCCS2)c(O)c1 ZINC000877303171 635021774 /nfs/dbraw/zinc/02/17/74/635021774.db2.gz QDBLLWAFNXKDBK-CYBMUJFWSA-N 1 0 251.395 3.076 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCC[C@@H](OCC3CC3)C2)c(O)c1 ZINC000877425670 635039762 /nfs/dbraw/zinc/03/97/62/635039762.db2.gz DHEWNULUIIMREK-MRXNPFEDSA-N 1 0 275.392 3.092 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)[C@H]1C[C@H]1C ZINC000840721967 635042302 /nfs/dbraw/zinc/04/23/02/635042302.db2.gz XBTYZDHUWFUFLO-WZRBSPASSA-N 1 0 250.361 3.026 20 10 CGCDRO COCC[C@@H](C)C[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000840836481 635061570 /nfs/dbraw/zinc/06/15/70/635061570.db2.gz YQGAYXQDFWORIG-OLZOCXBDSA-N 1 0 251.370 3.024 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](CO)C2)c2c1c(F)ccc2O ZINC000840894982 635078296 /nfs/dbraw/zinc/07/82/96/635078296.db2.gz GPYDQUXRCPYGLQ-CZXHOFHRSA-N 1 0 293.382 3.220 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H](O)CC(C)(C)C)c(Cl)c1 ZINC000840898056 635078404 /nfs/dbraw/zinc/07/84/04/635078404.db2.gz DWQGVHUJSODLQD-NSHDSACASA-N 1 0 285.815 3.241 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCOCC12CCCC2 ZINC000840919186 635082371 /nfs/dbraw/zinc/08/23/71/635082371.db2.gz WYAODSMHDKIKCN-UHFFFAOYSA-N 1 0 288.435 3.206 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@H+](C)CCc1nccs1 ZINC000840919017 635083247 /nfs/dbraw/zinc/08/32/47/635083247.db2.gz RCKQDTWXJRHSLO-UHFFFAOYSA-N 1 0 289.448 3.192 20 10 CGCDRO CCCc1nc(C)c(C[NH2+]Cc2c(C)cccc2O)o1 ZINC000877547755 635083311 /nfs/dbraw/zinc/08/33/11/635083311.db2.gz JLJJIFYSIOZGTA-UHFFFAOYSA-N 1 0 274.364 3.239 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCc1ccc(O)cc1 ZINC000840933565 635085080 /nfs/dbraw/zinc/08/50/80/635085080.db2.gz PXWOYGBOYPAUDN-UHFFFAOYSA-N 1 0 284.403 3.099 20 10 CGCDRO CC[C@]1(CO)CCC[N@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000840939294 635086960 /nfs/dbraw/zinc/08/69/60/635086960.db2.gz MRFVKUUIZLCSAH-SFHVURJKSA-N 1 0 290.451 3.046 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000840941168 635087880 /nfs/dbraw/zinc/08/78/80/635087880.db2.gz POWLNVCIUQWSCD-RDTXWAMCSA-N 1 0 288.435 3.060 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+][C@@H]2CS[C@@H](C)C2)c1O ZINC000840959699 635094018 /nfs/dbraw/zinc/09/40/18/635094018.db2.gz YJHLLQBCZAMVBD-CABZTGNLSA-N 1 0 271.813 3.338 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc2ccccc2c1O)[C@@H](O)C(C)C ZINC000840968208 635095668 /nfs/dbraw/zinc/09/56/68/635095668.db2.gz OSDYYRFLQJZDJG-SJORKVTESA-N 1 0 287.403 3.431 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)c(O)c1 ZINC000877573689 635098579 /nfs/dbraw/zinc/09/85/79/635098579.db2.gz UMPIDFMNBDIQDD-CRAIPNDOSA-N 1 0 298.386 3.106 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1ccn(C)c1 ZINC000840977166 635099487 /nfs/dbraw/zinc/09/94/87/635099487.db2.gz TXLMXIVSDCVELF-HNNXBMFYSA-N 1 0 285.435 3.120 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2ccc(C)c(C)n2)c(O)c1 ZINC000877582824 635101465 /nfs/dbraw/zinc/10/14/65/635101465.db2.gz ABJNDNAOPRDBHX-UHFFFAOYSA-N 1 0 256.349 3.002 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+](C)C[C@](C)(O)c1ccccc1 ZINC000877599043 635106792 /nfs/dbraw/zinc/10/67/92/635106792.db2.gz ORCCZCAFRFCIKU-SFHVURJKSA-N 1 0 285.387 3.040 20 10 CGCDRO C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2cccc(Cl)c2[O-])cc1 ZINC000841030695 635109154 /nfs/dbraw/zinc/10/91/54/635109154.db2.gz ZATIDQOJPOBPAH-LLVKDONJSA-N 1 0 290.794 3.355 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H](N)c2ccccc2)c(Cl)c1 ZINC000841036787 635111502 /nfs/dbraw/zinc/11/15/02/635111502.db2.gz MLOATJWDBSEIPT-OAHLLOKOSA-N 1 0 290.794 3.144 20 10 CGCDRO COc1ccc(CNCC2([NH3+])CCCCCC2)cc1C ZINC000841041075 635112063 /nfs/dbraw/zinc/11/20/63/635112063.db2.gz BVRFVZFYNSGHLO-UHFFFAOYSA-N 1 0 276.424 3.145 20 10 CGCDRO C[C@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)C1CCCCC1 ZINC000841042706 635113458 /nfs/dbraw/zinc/11/34/58/635113458.db2.gz MMORAUYPZUWQEX-KBXCAEBGSA-N 1 0 289.467 3.311 20 10 CGCDRO CC[C@@H]1CCC[C@H]([NH2+]C[C@H](N)c2ccc(N(C)C)cc2)C1 ZINC000841046042 635114546 /nfs/dbraw/zinc/11/45/46/635114546.db2.gz VCBYXEYXQSAJQT-HFTRVMKXSA-N 1 0 289.467 3.311 20 10 CGCDRO CC(C)CC[C@@H](C)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000841045364 635114748 /nfs/dbraw/zinc/11/47/48/635114748.db2.gz KIIYQFPMQRWZDA-PBHICJAKSA-N 1 0 277.456 3.167 20 10 CGCDRO C[NH2+]Cc1ccc(NCc2cc(C)c(C)cc2O)cc1 ZINC000841071916 635117760 /nfs/dbraw/zinc/11/77/60/635117760.db2.gz VINSIIDOSAHJHX-UHFFFAOYSA-N 1 0 270.376 3.341 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1 ZINC000877631522 635122558 /nfs/dbraw/zinc/12/25/58/635122558.db2.gz VESHCLXGHZYWLR-IRXDYDNUSA-N 1 0 297.398 3.363 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]CC[C@H]1CC1(Cl)Cl ZINC000877646919 635130297 /nfs/dbraw/zinc/13/02/97/635130297.db2.gz NBOCDYYFJAPUHV-JTQLQIEISA-N 1 0 274.191 3.374 20 10 CGCDRO CC(C)c1ncc(CN2Cc3cccc(O)c3C2)s1 ZINC000877702747 635153766 /nfs/dbraw/zinc/15/37/66/635153766.db2.gz FYSNCLXYCFWDJS-UHFFFAOYSA-N 1 0 274.389 3.488 20 10 CGCDRO COc1cc(O)c(C[NH2+]CCCCC2CC2)cc1OC ZINC000877729948 635165903 /nfs/dbraw/zinc/16/59/03/635165903.db2.gz HGYBZLOSXYURIL-UHFFFAOYSA-N 1 0 279.380 3.079 20 10 CGCDRO COCCCC[N@H+](C)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000841689058 635212848 /nfs/dbraw/zinc/21/28/48/635212848.db2.gz BMZYEZWUAZELGH-UHFFFAOYSA-N 1 0 295.423 3.254 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCSC1)c1ccc(Cl)cc1O ZINC000841752212 635225085 /nfs/dbraw/zinc/22/50/85/635225085.db2.gz RNBJBODWQNLJHG-WPRPVWTQSA-N 1 0 257.786 3.202 20 10 CGCDRO C[C@H]([NH2+][C@@H](CO)c1ccsc1)c1ccc(Cl)cc1O ZINC000841751022 635225387 /nfs/dbraw/zinc/22/53/87/635225387.db2.gz FAZAZCDIJFBVDI-ZANVPECISA-N 1 0 297.807 3.491 20 10 CGCDRO CO[C@H](C[NH2+][C@@H](C)c1cc(F)ccc1O)CC(C)C ZINC000841755331 635228438 /nfs/dbraw/zinc/22/84/38/635228438.db2.gz JHHFSHNEPYEQBT-AAEUAGOBSA-N 1 0 269.360 3.243 20 10 CGCDRO CO[C@H](C[NH2+][C@@H](C)c1ccc(N(C)C)cc1)CC(C)C ZINC000841755306 635228772 /nfs/dbraw/zinc/22/87/72/635228772.db2.gz JANROEXKYARBKS-YOEHRIQHSA-N 1 0 278.440 3.464 20 10 CGCDRO CO[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1O)C(C)C ZINC000841754168 635229217 /nfs/dbraw/zinc/22/92/17/635229217.db2.gz IELRJGGLJOSGGH-HZMBPMFUSA-N 1 0 271.788 3.367 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+][C@@H]1COCc3ccccc31)CC2 ZINC000841755605 635229962 /nfs/dbraw/zinc/22/99/62/635229962.db2.gz KCQZKNCQFXDMAW-HZPDHXFCSA-N 1 0 281.355 3.241 20 10 CGCDRO CCC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841765088 635234240 /nfs/dbraw/zinc/23/42/40/635234240.db2.gz UZBFHYFYIQBTHG-HZMBPMFUSA-N 1 0 271.788 3.247 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCCC(C)(C)O2)c1 ZINC000878361042 635474279 /nfs/dbraw/zinc/47/42/79/635474279.db2.gz VYLFIOLLSVMTKM-JSGCOSHPSA-N 1 0 293.407 3.399 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccc(CO)cc2)cc1 ZINC000842895216 635508055 /nfs/dbraw/zinc/50/80/55/635508055.db2.gz LEMFTOIELKQDQK-HNNXBMFYSA-N 1 0 298.430 3.486 20 10 CGCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1scnc1C1CC1 ZINC000843058433 635553268 /nfs/dbraw/zinc/55/32/68/635553268.db2.gz SSNXZRZZXJHXQM-UHFFFAOYSA-N 1 0 299.443 3.432 20 10 CGCDRO Cc1cc(Cl)cc(CN[C@H]2CC[NH2+]C23CCCC3)c1O ZINC000843127847 635562280 /nfs/dbraw/zinc/56/22/80/635562280.db2.gz JFOCULCICMWARS-AWEZNQCLSA-N 1 0 294.826 3.118 20 10 CGCDRO Oc1cccc(Cl)c1C[N@@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000843417597 635663408 /nfs/dbraw/zinc/66/34/08/635663408.db2.gz VECNVZGKFCDYHN-WFASDCNBSA-N 1 0 295.810 3.437 20 10 CGCDRO Oc1cccc(Cl)c1C[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000843417494 635663463 /nfs/dbraw/zinc/66/34/63/635663463.db2.gz VECNVZGKFCDYHN-DOMZBBRYSA-N 1 0 295.810 3.437 20 10 CGCDRO Cc1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccccc2O)c1 ZINC000879653504 635828307 /nfs/dbraw/zinc/82/83/07/635828307.db2.gz QQSYMWWLKDJAHI-KBPBESRZSA-N 1 0 298.386 3.378 20 10 CGCDRO C[C@H](c1ccccn1)N1CCCc2cc(C[NH3+])ccc21 ZINC000844219248 635832907 /nfs/dbraw/zinc/83/29/07/635832907.db2.gz KDFXJPGVTOEWGJ-CYBMUJFWSA-N 1 0 267.376 3.054 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)cc1 ZINC000844441636 635903388 /nfs/dbraw/zinc/90/33/88/635903388.db2.gz PXXREBYPDLYSQW-OAHLLOKOSA-N 1 0 280.362 3.374 20 10 CGCDRO CC[C@H]1C[N@H+](Cc2cc(OC)c(C)cc2O)[C@@H](CC)CO1 ZINC000844722937 635957628 /nfs/dbraw/zinc/95/76/28/635957628.db2.gz JQWMSDQVIYINBI-GJZGRUSLSA-N 1 0 293.407 3.099 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1CNc2ccccc2C1)c1ccccc1O ZINC000844921844 635984007 /nfs/dbraw/zinc/98/40/07/635984007.db2.gz VMMCYBDFDXIVHT-GOEBONIOSA-N 1 0 282.387 3.470 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CNc2ccccc2C1)c1ccccc1O ZINC000844920367 635984220 /nfs/dbraw/zinc/98/42/20/635984220.db2.gz LPLVBVOZUDYPBQ-TZMCWYRMSA-N 1 0 268.360 3.080 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C2CC(C(F)F)C2)c1 ZINC000845970649 636125383 /nfs/dbraw/zinc/12/53/83/636125383.db2.gz BAKQVGBUZHLWDE-XNWIYYODSA-N 1 0 271.307 3.095 20 10 CGCDRO COC[C@@H](CC(C)(C)C)[NH2+][C@H](C)c1ccccc1O ZINC000845988867 636127077 /nfs/dbraw/zinc/12/70/77/636127077.db2.gz BOFMJKLQCXEXNF-CHWSQXEVSA-N 1 0 265.397 3.494 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CCC[C@H](OC(C)C)C2)c(O)c1 ZINC000846016625 636129820 /nfs/dbraw/zinc/12/98/20/636129820.db2.gz WFJUHGUZBNYLPW-INIZCTEOSA-N 1 0 293.407 3.180 20 10 CGCDRO CCOc1ccc(C[NH+]2CCC3(CC3(F)F)CC2)c(O)c1 ZINC000846054131 636139007 /nfs/dbraw/zinc/13/90/07/636139007.db2.gz DJVQCVPJKCWNJW-UHFFFAOYSA-N 1 0 297.345 3.412 20 10 CGCDRO COC1(C[C@H](C)[NH2+]Cc2cc(Cl)ccc2O)CCC1 ZINC000846056704 636139833 /nfs/dbraw/zinc/13/98/33/636139833.db2.gz XYYOHSNLOAYNHM-NSHDSACASA-N 1 0 283.799 3.483 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CCC[C@]3(CC3(F)F)C2)c1O ZINC000846106415 636144020 /nfs/dbraw/zinc/14/40/20/636144020.db2.gz BBLKQHFDQCRNNT-HNNXBMFYSA-N 1 0 297.345 3.412 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc(F)cc2)c1O ZINC000846138447 636148839 /nfs/dbraw/zinc/14/88/39/636148839.db2.gz RUHCYGZCEGVDKP-LLVKDONJSA-N 1 0 275.323 3.391 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]Cc2cc(C(C)C)no2)c1O ZINC000846142972 636149097 /nfs/dbraw/zinc/14/90/97/636149097.db2.gz DRZNGFUBTMKXIS-LLVKDONJSA-N 1 0 290.363 3.363 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@H]2Cc3ccccc32)c1O ZINC000846143264 636149465 /nfs/dbraw/zinc/14/94/65/636149465.db2.gz DCVZHWVFOGPIFC-GXTWGEPZSA-N 1 0 283.371 3.391 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)Cc2ccncc2)c1O ZINC000846150938 636149844 /nfs/dbraw/zinc/14/98/44/636149844.db2.gz TWEXDGCGYQHYJE-QWHCGFSZSA-N 1 0 286.375 3.078 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]Cc2ccc3c(c2)CCO3)c1O ZINC000846146010 636149852 /nfs/dbraw/zinc/14/98/52/636149852.db2.gz PCBNRJLYFMJHTA-LBPRGKRZSA-N 1 0 299.370 3.187 20 10 CGCDRO CCC1(O)CCC([NH2+][C@H](C)c2cccc(OC)c2O)CC1 ZINC000846146713 636149891 /nfs/dbraw/zinc/14/98/91/636149891.db2.gz KFPUYUJJGPHMBH-SFYCDEOASA-N 1 0 293.407 3.135 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]CCNc2ccccc2)c1O ZINC000846151234 636150410 /nfs/dbraw/zinc/15/04/10/636150410.db2.gz VXYNLLDVYLFNQJ-CYBMUJFWSA-N 1 0 286.375 3.164 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2COc3ccc(C)cc32)c1O ZINC000846153084 636150588 /nfs/dbraw/zinc/15/05/88/636150588.db2.gz FPBYARRRCYRUMU-SWLSCSKDSA-N 1 0 299.370 3.494 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]CC[C@H]2CCCCO2)c1O ZINC000846163123 636151120 /nfs/dbraw/zinc/15/11/20/636151120.db2.gz KVCRTQATRCVBCN-QWHCGFSZSA-N 1 0 279.380 3.011 20 10 CGCDRO CCCc1ncc(C[NH2+][C@@H](C)c2cccc(OC)c2O)o1 ZINC000846168074 636151938 /nfs/dbraw/zinc/15/19/38/636151938.db2.gz GJRZXKKGWZXHBC-NSHDSACASA-N 1 0 290.363 3.192 20 10 CGCDRO CCCCN(C)C[C@@H](C)[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846169613 636152963 /nfs/dbraw/zinc/15/29/63/636152963.db2.gz FVXIPSBUAQXCBX-KGLIPLIRSA-N 1 0 294.439 3.172 20 10 CGCDRO CCO[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846169695 636153169 /nfs/dbraw/zinc/15/31/69/636153169.db2.gz RUADCZBWDDODCZ-MRVWCRGKSA-N 1 0 279.380 3.009 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]CCCC2CCOCC2)c1O ZINC000846169273 636153189 /nfs/dbraw/zinc/15/31/89/636153189.db2.gz GJGMNJYIROMLFN-ZDUSSCGKSA-N 1 0 293.407 3.258 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2C[C@H]2C2CCC2)c1O ZINC000846175229 636153846 /nfs/dbraw/zinc/15/38/46/636153846.db2.gz YAFCFVKMLHDHCD-LEWSCRJBSA-N 1 0 261.365 3.240 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)c1O ZINC000846187765 636156327 /nfs/dbraw/zinc/15/63/27/636156327.db2.gz CNLOCGQJGNSXJU-IMJCEVDSSA-N 1 0 281.783 3.325 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)COCC2CC2)c(O)c1 ZINC000846204560 636157647 /nfs/dbraw/zinc/15/76/47/636157647.db2.gz MTXFJZDGDWCQHG-CHWSQXEVSA-N 1 0 263.381 3.166 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)COCC2CC2)c(O)c1C ZINC000846203963 636157991 /nfs/dbraw/zinc/15/79/91/636157991.db2.gz JDIMPPKDPREKMF-GXTWGEPZSA-N 1 0 277.408 3.475 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCc2cccnc2)c1 ZINC000930217533 636250868 /nfs/dbraw/zinc/25/08/68/636250868.db2.gz XGUFIYLYSCEQGO-ZDUSSCGKSA-N 1 0 286.375 3.079 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc2nonc2c1)c1ccc(N(C)C)cc1 ZINC000846856600 636261878 /nfs/dbraw/zinc/26/18/78/636261878.db2.gz CPAVOVKCXFQQML-GFCCVEGCSA-N 1 0 296.374 3.140 20 10 CGCDRO C[C@@H](C[C@H](O)c1ccco1)[NH2+]Cc1c(O)cccc1Cl ZINC000130485790 636463863 /nfs/dbraw/zinc/46/38/63/636463863.db2.gz KOENOYYCSCHJDE-HZMBPMFUSA-N 1 0 295.766 3.240 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2nc(C(C)C)c[nH]2)c1 ZINC000883156327 636560328 /nfs/dbraw/zinc/56/03/28/636560328.db2.gz LAYCYMAHBQLAAK-LLVKDONJSA-N 1 0 289.379 3.098 20 10 CGCDRO CSc1ccc(C[NH2+]Cc2cc(C)ccc2O)o1 ZINC000883186835 636571973 /nfs/dbraw/zinc/57/19/73/636571973.db2.gz AGLTXIGRRULQHC-UHFFFAOYSA-N 1 0 263.362 3.305 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)c1cc(OC)ccc1O)[C@@H]1CCCCO1 ZINC000848567059 636609100 /nfs/dbraw/zinc/60/91/00/636609100.db2.gz AUEYPNHTKCGEIO-PVUWLOKVSA-N 1 0 293.407 3.399 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCN3CCCC[C@H]23)c(O)c1 ZINC000848568403 636610452 /nfs/dbraw/zinc/61/04/52/636610452.db2.gz HTMNOXHKQUKBST-BHYGNILZSA-N 1 0 288.435 3.368 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)c1ccccc1O)[C@H]1CCCCO1 ZINC000848567866 636610716 /nfs/dbraw/zinc/61/07/16/636610716.db2.gz RHENRQHEOPWVKB-IVMMDQJWSA-N 1 0 263.381 3.391 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H]2C[C@H](OC)C2)cc1 ZINC000883270408 636641710 /nfs/dbraw/zinc/64/17/10/636641710.db2.gz NENPQOGQRPEESL-ZQIUZPCESA-N 1 0 276.424 3.218 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCCSC1 ZINC000131505859 636669961 /nfs/dbraw/zinc/66/99/61/636669961.db2.gz QPNPVYFAMWHMNY-AWEZNQCLSA-N 1 0 264.438 3.046 20 10 CGCDRO COC[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)C1 ZINC000883319567 636669977 /nfs/dbraw/zinc/66/99/77/636669977.db2.gz HPDPRVZPUOZVBO-MEWQQHAOSA-N 1 0 279.355 3.094 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCCC[C@H]2C[C@H](C)O)c1O ZINC000848907602 636685527 /nfs/dbraw/zinc/68/55/27/636685527.db2.gz GAVFNMQXGGHMKN-BBRMVZONSA-N 1 0 277.408 3.080 20 10 CGCDRO CCc1cccc(C[NH2+]CC(C)(C)c2ccccn2)c1O ZINC000848915683 636688434 /nfs/dbraw/zinc/68/84/34/636688434.db2.gz LNGSNSOXCODJSR-UHFFFAOYSA-N 1 0 284.403 3.417 20 10 CGCDRO CCc1cccc(C[NH2+]CCC2(COC)CCC2)c1O ZINC000848914809 636689047 /nfs/dbraw/zinc/68/90/47/636689047.db2.gz SYFVXKCAKDLASL-UHFFFAOYSA-N 1 0 277.408 3.251 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C2CCC3(COC3)CC2)c1 ZINC000883381601 636723604 /nfs/dbraw/zinc/72/36/04/636723604.db2.gz QDONJGXTXWAJIJ-CYBMUJFWSA-N 1 0 275.392 3.310 20 10 CGCDRO Oc1ccc(Cl)cc1CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000134114758 636999720 /nfs/dbraw/zinc/99/97/20/636999720.db2.gz FDZMPUHHGRTECZ-HNNXBMFYSA-N 1 0 294.826 3.106 20 10 CGCDRO COc1cc(C[NH2+][C@@H](C)[C@H](C)OC)c(O)c(C(C)(C)C)c1 ZINC000850270601 637002533 /nfs/dbraw/zinc/00/25/33/637002533.db2.gz LVPBBUHNJJDUFJ-RYUDHWBXSA-N 1 0 295.423 3.211 20 10 CGCDRO Oc1ccccc1C[NH2+]Cc1c[nH]nc1-c1cccs1 ZINC000134236413 637008551 /nfs/dbraw/zinc/00/85/51/637008551.db2.gz YTACBYJJNYMVFU-UHFFFAOYSA-N 1 0 285.372 3.134 20 10 CGCDRO CCC(CC)C[NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850345692 637021716 /nfs/dbraw/zinc/02/17/16/637021716.db2.gz HYVPMZZJBAXBMV-OAHLLOKOSA-N 1 0 276.424 3.300 20 10 CGCDRO COc1cccc(O)c1C[NH2+]CCC1(CSC)CC1 ZINC000850356179 637026027 /nfs/dbraw/zinc/02/60/27/637026027.db2.gz PQRJAPXMHOJFQC-UHFFFAOYSA-N 1 0 281.421 3.024 20 10 CGCDRO c1cc(N2CCOCC2)ccc1C[NH2+]CCCC1CCC1 ZINC000850378822 637039088 /nfs/dbraw/zinc/03/90/88/637039088.db2.gz ADCITMGDYRUGKW-UHFFFAOYSA-N 1 0 288.435 3.193 20 10 CGCDRO C[C@@]1(CC[NH2+]Cc2ccc3c(c2)CCO3)CC1(F)F ZINC000850380961 637040854 /nfs/dbraw/zinc/04/08/54/637040854.db2.gz RSLUXPGRNHHMEU-CQSZACIVSA-N 1 0 267.319 3.147 20 10 CGCDRO CC1(C)[C@H](C[NH2+]Cc2ccc3c(c2)CCO3)C1(F)F ZINC000850394623 637047008 /nfs/dbraw/zinc/04/70/08/637047008.db2.gz WXLBQDOPWSKGFF-ZDUSSCGKSA-N 1 0 267.319 3.002 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)c1 ZINC000850409407 637051731 /nfs/dbraw/zinc/05/17/31/637051731.db2.gz SYXSSNYGZJRCKF-BPQIPLTHSA-N 1 0 283.346 3.268 20 10 CGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@H]3CCCC34CC4)C2)cc1 ZINC000850486819 637087659 /nfs/dbraw/zinc/08/76/59/637087659.db2.gz KDURQLINVBZWLL-PBHICJAKSA-N 1 0 286.419 3.196 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CCCC3(C)C)C2)cc1 ZINC000850489406 637089000 /nfs/dbraw/zinc/08/90/00/637089000.db2.gz SYVITYSXVZVDBM-WMLDXEAASA-N 1 0 288.435 3.442 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCO[C@H]2CC2(F)F)c(O)c1C ZINC000850521425 637101283 /nfs/dbraw/zinc/10/12/83/637101283.db2.gz VHNPNADCKHDMDF-AAEUAGOBSA-N 1 0 285.334 3.084 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+][C@H]1COc3cc(F)ccc3C1)CC2 ZINC000850536885 637112952 /nfs/dbraw/zinc/11/29/52/637112952.db2.gz KTRFJLWYDSUYBA-CABCVRRESA-N 1 0 299.345 3.112 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H](CO)CC2CC2)cc1 ZINC000850546438 637116534 /nfs/dbraw/zinc/11/65/34/637116534.db2.gz ZUTQACFGFFXBGQ-HOCLYGCPSA-N 1 0 290.451 3.202 20 10 CGCDRO CC[C@@H]([NH2+]CCc1cncc(C)n1)c1ccc(C)cc1O ZINC000850548820 637117961 /nfs/dbraw/zinc/11/79/61/637117961.db2.gz AUCVEHCOBMKQME-MRXNPFEDSA-N 1 0 285.391 3.082 20 10 CGCDRO C[C@H]1C[C@H]([NH2+]CC2CCC(O)CC2)c2c1c(F)ccc2O ZINC000850555120 637120521 /nfs/dbraw/zinc/12/05/21/637120521.db2.gz MEZSRTKWZJNVGU-BBCYWQGDSA-N 1 0 293.382 3.220 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](C)c2nccn2C)c1O ZINC000850573199 637129287 /nfs/dbraw/zinc/12/92/87/637129287.db2.gz WLXHDGGHXJZQSC-GHMZBOCLSA-N 1 0 293.798 3.499 20 10 CGCDRO CCC[NH+]1CCC(C[NH2+][C@@H](C)c2c([O-])cccc2F)CC1 ZINC000886522534 637551552 /nfs/dbraw/zinc/55/15/52/637551552.db2.gz LSRWGPDRGUFEHG-ZDUSSCGKSA-N 1 0 294.414 3.304 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1c([O-])cccc1F ZINC000886536356 637561678 /nfs/dbraw/zinc/56/16/78/637561678.db2.gz GHMSNMDZSHXDGM-XQQFMLRXSA-N 1 0 280.387 3.055 20 10 CGCDRO C[C@@H]1CCCN(C(=O)C=C2CC[NH2+]CC2)c2ccccc21 ZINC000852884360 637721404 /nfs/dbraw/zinc/72/14/04/637721404.db2.gz JHRANRBRXVBCJH-CQSZACIVSA-N 1 0 284.403 3.227 20 10 CGCDRO C[N@H+](Cc1ccc(F)c(F)c1)Cc1ccccc1O ZINC000111236496 637805272 /nfs/dbraw/zinc/80/52/72/637805272.db2.gz APAAFLKUHABEEE-UHFFFAOYSA-N 1 0 263.287 3.302 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCc3cc(N)ccc32)c1 ZINC000854225595 638027729 /nfs/dbraw/zinc/02/77/29/638027729.db2.gz IJBFCCBPIBOERU-PIGZYNQJSA-N 1 0 298.386 3.321 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]CC(C)(C)C(C)(F)F)c1 ZINC000829237087 638215402 /nfs/dbraw/zinc/21/54/02/638215402.db2.gz QIKGKSLMAIPFAV-UHFFFAOYSA-N 1 0 257.324 3.472 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CC[C@H]2CC2(F)F)cc1Cl ZINC000857059625 638446529 /nfs/dbraw/zinc/44/65/29/638446529.db2.gz VCTISKAARGGUSD-JTQLQIEISA-N 1 0 275.726 3.489 20 10 CGCDRO C[C@@H](Cc1ccccn1)[NH2+]CCCSc1nccs1 ZINC000925103056 638453397 /nfs/dbraw/zinc/45/33/97/638453397.db2.gz NZWMAGAQMLOZRQ-LBPRGKRZSA-N 1 0 293.461 3.241 20 10 CGCDRO CC[C@H]1C[C@@H]([NH2+]Cc2cc(F)c(N(C)C)cc2F)CCO1 ZINC000858180317 638650955 /nfs/dbraw/zinc/65/09/55/638650955.db2.gz QGTYWGCOUSACLY-STQMWFEESA-N 1 0 298.377 3.078 20 10 CGCDRO Oc1cccc(Br)c1C[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000858182844 638651093 /nfs/dbraw/zinc/65/10/93/638651093.db2.gz JTCKVWXLQUDPQN-GXFFZTMASA-N 1 0 296.208 3.433 20 10 CGCDRO O=c1[nH]cccc1C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000858303956 638675626 /nfs/dbraw/zinc/67/56/26/638675626.db2.gz AMQXLSMPHNUEDN-UHFFFAOYSA-N 1 0 297.402 3.067 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](CO)CCC(C)C)c1 ZINC000858484843 638736554 /nfs/dbraw/zinc/73/65/54/638736554.db2.gz CPUJHGLEUSSMJB-UONOGXRCSA-N 1 0 265.397 3.148 20 10 CGCDRO CCOC(=O)C1=CC[C@H]([NH2+][C@H](C)c2cc(C)ccc2O)C1 ZINC000858504853 638747166 /nfs/dbraw/zinc/74/71/66/638747166.db2.gz ABTVGPMNXNJDCL-OCCSQVGLSA-N 1 0 289.375 3.003 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CO[C@@H](C2CC2)C1)c1ccc(C)cc1O ZINC000858547358 638759353 /nfs/dbraw/zinc/75/93/53/638759353.db2.gz KOZKSRUTXYLHNX-JLJPHGGASA-N 1 0 275.392 3.309 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)c(O)c1 ZINC000926937724 638827324 /nfs/dbraw/zinc/82/73/24/638827324.db2.gz XRSCVVLXTHYIIR-QXSJWSMHSA-N 1 0 287.403 3.251 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C2([C@@H]3CCCCO3)CC2)c(O)c1 ZINC000927162807 638849295 /nfs/dbraw/zinc/84/92/95/638849295.db2.gz SZVYAVJPIGFFQS-BBRMVZONSA-N 1 0 275.392 3.453 20 10 CGCDRO CC[C@@H]1C[C@H]1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000929185951 638906283 /nfs/dbraw/zinc/90/62/83/638906283.db2.gz VLNICAXVJLQONU-SJORKVTESA-N 1 0 288.435 3.001 20 10 CGCDRO CO[C@H]1C[C@H]([NH2+][C@H](C)c2cc(Cl)cc(C)c2O)C1 ZINC000858583463 638998085 /nfs/dbraw/zinc/99/80/85/638998085.db2.gz BZKQSCOKHGKEMB-YUSALJHKSA-N 1 0 269.772 3.182 20 10 CGCDRO COc1ccc(C[NH2+]CCc2ccc(C)cc2)c(O)c1 ZINC000116360832 639028388 /nfs/dbraw/zinc/02/83/88/639028388.db2.gz XLQVKZOXGAREIF-UHFFFAOYSA-N 1 0 271.360 3.042 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H]2c2ccnn2C)cc1 ZINC000932264971 639305084 /nfs/dbraw/zinc/30/50/84/639305084.db2.gz LOMGTWNONUFORI-GOSISDBHSA-N 1 0 298.434 3.213 20 10 CGCDRO COc1ccc(N2CC[NH+](CC3CCCC3)CC2)cc1 ZINC000041411632 639902187 /nfs/dbraw/zinc/90/21/87/639902187.db2.gz NPGYSQKNMVWNSB-UHFFFAOYSA-N 1 0 274.408 3.007 20 10 CGCDRO CC[C@H](C)[C@@](C)(O)C[NH2+][C@@H](CC)c1ccccc1O ZINC000155805585 639951715 /nfs/dbraw/zinc/95/17/15/639951715.db2.gz ULAAQNVYEHFHMS-NOLJZWGESA-N 1 0 265.397 3.230 20 10 CGCDRO COc1cc(C[N@@H+]2CCC[C@@H]2C2CCC2)c(O)cc1C ZINC000160127054 640090866 /nfs/dbraw/zinc/09/08/66/640090866.db2.gz JXTZLGRVERHUHI-OAHLLOKOSA-N 1 0 275.392 3.474 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC(C)(C)O2)c(O)c1 ZINC000187867958 640101712 /nfs/dbraw/zinc/10/17/12/640101712.db2.gz FJGVFJFSHNUNKX-STQMWFEESA-N 1 0 263.381 3.309 20 10 CGCDRO CCC[N@H+](Cc1ccc(F)nc1)Cc1ccccc1O ZINC000189312504 640186990 /nfs/dbraw/zinc/18/69/90/640186990.db2.gz SXOBTBCXZKQKLM-UHFFFAOYSA-N 1 0 274.339 3.339 20 10 CGCDRO Cc1ccc(C[C@H](CO)[NH2+][C@@H](C)c2ccc(C)cc2O)cc1 ZINC000191579033 640320158 /nfs/dbraw/zinc/32/01/58/640320158.db2.gz CVIUTOPQSKAFAF-DOTOQJQBSA-N 1 0 299.414 3.263 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]Cc1ccccc1F ZINC000083551352 640597537 /nfs/dbraw/zinc/59/75/37/640597537.db2.gz NYVWDSILFTZRON-UHFFFAOYSA-N 1 0 265.715 3.475 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2CCS[C@H](C)[C@H]2C)cc1C ZINC000246449062 640675420 /nfs/dbraw/zinc/67/54/20/640675420.db2.gz VKFSDYAAPXYQAJ-CHWSQXEVSA-N 1 0 265.422 3.335 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CCOC1)c1ccc(N2CCCCC2)cc1 ZINC000090774194 640692302 /nfs/dbraw/zinc/69/23/02/640692302.db2.gz HVSHNTGHHPICDZ-ZBFHGGJFSA-N 1 0 274.408 3.116 20 10 CGCDRO CC[C@@H]1C[N@H+](Cc2cc(C)cc(C)c2O)C[C@@H](C)O1 ZINC000247000863 640705843 /nfs/dbraw/zinc/70/58/43/640705843.db2.gz UEINJLHJZPKGHU-UKRRQHHQSA-N 1 0 263.381 3.008 20 10 CGCDRO Cc1occc1C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000092438406 640737522 /nfs/dbraw/zinc/73/75/22/640737522.db2.gz DMAQZOQUBAKXJX-UHFFFAOYSA-N 1 0 258.365 3.286 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2C[C@H](C)[C@H]3CCCC[C@H]32)c1 ZINC000248376083 640754018 /nfs/dbraw/zinc/75/40/18/640754018.db2.gz ZDTOCLVRQXSXHO-APHBMKBZSA-N 1 0 275.392 3.411 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CCOC[C@@H]2CC(C)C)c1 ZINC000093340293 640768988 /nfs/dbraw/zinc/76/89/88/640768988.db2.gz NWTUKAUNPQKRNF-HNNXBMFYSA-N 1 0 293.407 3.038 20 10 CGCDRO C[C@H]1OCC[N@H+](Cc2ccc(N3CCCCC3)cc2)[C@H]1C ZINC000093417771 640771378 /nfs/dbraw/zinc/77/13/78/640771378.db2.gz ZFRLHTRQCZRKNS-JKSUJKDBSA-N 1 0 288.435 3.286 20 10 CGCDRO Oc1cc2c(cc1C[NH+]1CCC3(CCCC3)CC1)OCO2 ZINC000096810837 640839254 /nfs/dbraw/zinc/83/92/54/640839254.db2.gz VRUWYYUKMQAHPJ-UHFFFAOYSA-N 1 0 289.375 3.277 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)C[C@@H](O)c2ccco2)c1 ZINC000252952311 640866829 /nfs/dbraw/zinc/86/68/29/640866829.db2.gz NJUDAUZJXDJRCH-HEHGZKQESA-N 1 0 289.375 3.456 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](O)c1ccco1)c1ccc(N(C)C)cc1 ZINC000305063169 640878098 /nfs/dbraw/zinc/87/80/98/640878098.db2.gz HGQUQBGBMUAYJG-JKSUJKDBSA-N 1 0 288.391 3.120 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H](C)C[C@H](O)c2ccco2)cc1C ZINC000305714039 640900012 /nfs/dbraw/zinc/90/00/12/640900012.db2.gz GKMVLJUNRZYXNU-CJNGLKHVSA-N 1 0 289.375 3.204 20 10 CGCDRO CC[C@@H](C[NH2+]Cc1c(O)cccc1Cl)N1CCCC1 ZINC000113320580 640975782 /nfs/dbraw/zinc/97/57/82/640975782.db2.gz UAOYKGMIVPBVNF-LBPRGKRZSA-N 1 0 282.815 3.010 20 10 CGCDRO c1cc(Nc2ccc3c(c2)CCCN3)cc2c1C[NH2+]C2 ZINC001159471431 806108703 /nfs/dbraw/zinc/10/87/03/806108703.db2.gz WVEUYFVRMIFKGR-UHFFFAOYSA-N 1 0 265.360 3.392 20 10 CGCDRO CCC[C@@H](O)C[NH2+][C@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001252809918 806125590 /nfs/dbraw/zinc/12/55/90/806125590.db2.gz UNWRQYAXGLRTJV-DYVFJYSZSA-N 1 0 291.435 3.383 20 10 CGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2[NH2+]C[C@@H](O)C(C)C ZINC001253788896 806311770 /nfs/dbraw/zinc/31/17/70/806311770.db2.gz WSATUTMPJWJACW-PBHICJAKSA-N 1 0 291.435 3.239 20 10 CGCDRO COc1ccc([C@@H](C)[NH2+]Cc2ccccc2O)cc1F ZINC000037074608 798858130 /nfs/dbraw/zinc/85/81/30/798858130.db2.gz ZUFSZFVEUMUEAG-LLVKDONJSA-N 1 0 275.323 3.391 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2Cc3ccccc3O2)c(O)c1 ZINC000038009527 798883388 /nfs/dbraw/zinc/88/33/88/798883388.db2.gz MWAGHIDANKNMOC-ZFWWWQNUSA-N 1 0 283.371 3.355 20 10 CGCDRO COc1ccccc1C[C@H](C)[NH2+]Cc1cc(C)ccc1O ZINC000071408130 798916713 /nfs/dbraw/zinc/91/67/13/798916713.db2.gz DHNYWHZDZBDPOU-AWEZNQCLSA-N 1 0 285.387 3.430 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H](Cn2ccnc2)C(C)(C)C)c1 ZINC000071407950 798916751 /nfs/dbraw/zinc/91/67/51/798916751.db2.gz ITDZLRZCBBBOJR-MRXNPFEDSA-N 1 0 287.407 3.102 20 10 CGCDRO COCCC[N@H+](C)Cc1cc(C)cc(C(C)(C)C)c1O ZINC000126967666 799010446 /nfs/dbraw/zinc/01/04/46/799010446.db2.gz YRFXVAUKTRPXDF-UHFFFAOYSA-N 1 0 279.424 3.466 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@]2(O)CCC[C@H]2C)cc1 ZINC000328229407 799250592 /nfs/dbraw/zinc/25/05/92/799250592.db2.gz CLQMBLUCCGIAQW-QAPCUYQASA-N 1 0 290.451 3.174 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)c1ccc2ccccc2c1O)[C@H](C)O ZINC000386713550 799439046 /nfs/dbraw/zinc/43/90/46/799439046.db2.gz QCCUKVLTPMUJDV-MKBNYLNASA-N 1 0 273.376 3.355 20 10 CGCDRO CCOc1cccc(C[NH2+]C[C@@H]2CCCC2(F)F)c1O ZINC000390848552 799475737 /nfs/dbraw/zinc/47/57/37/799475737.db2.gz GSVCWFNYOPEPLR-LBPRGKRZSA-N 1 0 285.334 3.316 20 10 CGCDRO CC(C)[C@H]1C[N@H+](Cc2cc(Cl)ccc2O)CCCO1 ZINC000394506751 799496908 /nfs/dbraw/zinc/49/69/08/799496908.db2.gz WFJBYXKFPDXTAQ-OAHLLOKOSA-N 1 0 283.799 3.293 20 10 CGCDRO CC(C)OCC(C)(C)[NH2+]Cc1cc(Cl)ccc1O ZINC000396418536 799508004 /nfs/dbraw/zinc/50/80/04/799508004.db2.gz NDGWQWZYGGVHEE-UHFFFAOYSA-N 1 0 271.788 3.339 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@](C)(CO)C(C)C)cc1 ZINC000398583660 799531649 /nfs/dbraw/zinc/53/16/49/799531649.db2.gz RKMXHJFSLQUUQD-QGZVFWFLSA-N 1 0 278.440 3.029 20 10 CGCDRO Oc1ccc(Br)cc1C[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403788361 799571318 /nfs/dbraw/zinc/57/13/18/799571318.db2.gz ZVPUAJUSWWKCLB-GIPNMCIBSA-N 1 0 296.208 3.433 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccns2)cc1 ZINC000404294618 799576255 /nfs/dbraw/zinc/57/62/55/799576255.db2.gz WQJFWHBXZZVQIY-UHFFFAOYSA-N 1 0 275.421 3.279 20 10 CGCDRO CC/C=C\CC[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000588475687 799698542 /nfs/dbraw/zinc/69/85/42/799698542.db2.gz DQVKIDYTAUYHIO-PLNGDYQASA-N 1 0 288.435 3.311 20 10 CGCDRO C/C=C\C[C@@H](CO)[NH2+]Cc1ccc(N(CC)CC)c(F)c1 ZINC000588489546 799700722 /nfs/dbraw/zinc/70/07/22/799700722.db2.gz DARQHDKLJTUYED-QZDDGCDVSA-N 1 0 294.414 3.089 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2ccc(N(C)C)cc2)c(F)c1 ZINC000686491089 799735180 /nfs/dbraw/zinc/73/51/80/799735180.db2.gz MRHQHJGGHMOCSW-UHFFFAOYSA-N 1 0 272.367 3.490 20 10 CGCDRO CCc1cccc(C[N@H+](C[C@@H](C)OC)C(C)C)c1O ZINC000688106174 799745200 /nfs/dbraw/zinc/74/52/00/799745200.db2.gz ODJLLZJHZJPQBG-CYBMUJFWSA-N 1 0 265.397 3.200 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1CCC[C@@H](C)O1)c1cc(F)ccc1O ZINC000688885714 799758299 /nfs/dbraw/zinc/75/82/99/799758299.db2.gz UAGQQXMUVSENQG-NTZNESFSSA-N 1 0 267.344 3.140 20 10 CGCDRO Cc1cnc(CC[NH2+]Cc2cccc(C)c2O)c(C)c1 ZINC000689484165 799764521 /nfs/dbraw/zinc/76/45/21/799764521.db2.gz KGXYVOZNVQUZNX-UHFFFAOYSA-N 1 0 270.376 3.045 20 10 CGCDRO CCc1cccc(C[NH2+]CCOCC2CCCC2)c1O ZINC000691463098 799783973 /nfs/dbraw/zinc/78/39/73/799783973.db2.gz FEQWVBGLQCSOMP-UHFFFAOYSA-N 1 0 277.408 3.251 20 10 CGCDRO CCc1cccc(C[NH2+]Cc2ccc(OC)cc2)c1O ZINC000691502087 799784868 /nfs/dbraw/zinc/78/48/68/799784868.db2.gz ZHEPMIWMRMPBHT-UHFFFAOYSA-N 1 0 271.360 3.253 20 10 CGCDRO C[C@H](Cc1ccccn1)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000694008091 799819807 /nfs/dbraw/zinc/81/98/07/799819807.db2.gz RFGGUHBQRYUFCC-NEPJUHHUSA-N 1 0 274.339 3.208 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C2CC2)c(O)c1 ZINC000695894232 799836273 /nfs/dbraw/zinc/83/62/73/799836273.db2.gz XSSVVGXBKMCESI-CVEARBPZSA-N 1 0 275.392 3.459 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]C2(C3CCC3)CC2)c1O ZINC000697400957 799845151 /nfs/dbraw/zinc/84/51/51/799845151.db2.gz MQEJAQXXUAQXIG-UHFFFAOYSA-N 1 0 281.783 3.477 20 10 CGCDRO COc1ccc(C[NH2+]C[C@H](C)CC(F)F)cc1C ZINC000697742135 799848577 /nfs/dbraw/zinc/84/85/77/799848577.db2.gz LTZLLHQNUPFWHO-SNVBAGLBSA-N 1 0 257.324 3.385 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H](C)CC(F)F)c1O ZINC000697696550 799849084 /nfs/dbraw/zinc/84/90/84/799849084.db2.gz HXWQSZGNRQITTB-QMMMGPOBSA-N 1 0 293.741 3.435 20 10 CGCDRO CC(C)C(C)(C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000697964277 799851160 /nfs/dbraw/zinc/85/11/60/799851160.db2.gz LHYPODRPJLYKNO-UHFFFAOYSA-N 1 0 276.424 3.047 20 10 CGCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1cccnc1Cl ZINC000700819718 799881837 /nfs/dbraw/zinc/88/18/37/799881837.db2.gz KQXYNOBGUWFGLT-UHFFFAOYSA-N 1 0 287.794 3.147 20 10 CGCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1ncccc1Cl ZINC000700927118 799883216 /nfs/dbraw/zinc/88/32/16/799883216.db2.gz RHNBTJFODPZXCC-UHFFFAOYSA-N 1 0 287.794 3.147 20 10 CGCDRO Oc1ccc(Br)cc1C[NH2+]CC1=CCCC1 ZINC000702385154 799909495 /nfs/dbraw/zinc/90/94/95/799909495.db2.gz COXPYALUTUWXSR-UHFFFAOYSA-N 1 0 282.181 3.355 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCCC(F)(F)CC2)c1 ZINC000702765974 799912916 /nfs/dbraw/zinc/91/29/16/799912916.db2.gz IPYNXEKKUNJQOJ-UHFFFAOYSA-N 1 0 255.308 3.322 20 10 CGCDRO CCC[C@@H](C[NH2+]Cc1cc(Cl)ccc1O)OCC ZINC000705385064 799948092 /nfs/dbraw/zinc/94/80/92/799948092.db2.gz RUTMYKWKHDFPCQ-ZDUSSCGKSA-N 1 0 271.788 3.340 20 10 CGCDRO Oc1cccc(Br)c1C[NH+]1CCC(F)CC1 ZINC000707157021 799973466 /nfs/dbraw/zinc/97/34/66/799973466.db2.gz YTDGAQWNOOJIDO-UHFFFAOYSA-N 1 0 288.160 3.089 20 10 CGCDRO C[C@H]1CCC[N@H+](Cc2cc(F)cc(F)c2[O-])CC1 ZINC000708420994 799989441 /nfs/dbraw/zinc/98/94/41/799989441.db2.gz AFUBFRNWYNDLDP-JTQLQIEISA-N 1 0 255.308 3.292 20 10 CGCDRO Cc1cccc(C[N@@H+]2CC[C@@](C)(C(F)(F)F)C2)c1O ZINC000708598794 799992476 /nfs/dbraw/zinc/99/24/76/799992476.db2.gz ADPFYQBGNLGAIE-CYBMUJFWSA-N 1 0 273.298 3.475 20 10 CGCDRO C[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000708602529 799992575 /nfs/dbraw/zinc/99/25/75/799992575.db2.gz VHALYSPXEWOGGT-GFCCVEGCSA-N 1 0 277.261 3.306 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1CCC2(CCC2)O1)c1cc(F)ccc1O ZINC000711472045 800061878 /nfs/dbraw/zinc/06/18/78/800061878.db2.gz LXIZHCPLIYAHAZ-WCQYABFASA-N 1 0 279.355 3.284 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]C[C@H]2C=CCC2)c1O ZINC000711701553 800070009 /nfs/dbraw/zinc/07/00/09/800070009.db2.gz JPPGIIBZTSIWGH-JTQLQIEISA-N 1 0 267.756 3.110 20 10 CGCDRO CO[C@@H]1C[C@@H]([NH2+]Cc2c(O)cccc2Cl)C12CCC2 ZINC000713470972 800109527 /nfs/dbraw/zinc/10/95/27/800109527.db2.gz NRTMQHFLEFMOMF-ZIAGYGMSSA-N 1 0 281.783 3.093 20 10 CGCDRO CO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc(F)ccc2O)C12CCC2 ZINC000713482978 800110475 /nfs/dbraw/zinc/11/04/75/800110475.db2.gz WTGZSAYMQBCCRR-NZVBXONLSA-N 1 0 279.355 3.140 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]CC[C@H]1CCCS1)CC2 ZINC000715690799 800143630 /nfs/dbraw/zinc/14/36/30/800143630.db2.gz VFDWQKJJUFWVBW-OLZOCXBDSA-N 1 0 263.406 3.255 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]CC[C@H]1CCCS1)CC2 ZINC000715690796 800143984 /nfs/dbraw/zinc/14/39/84/800143984.db2.gz VFDWQKJJUFWVBW-CHWSQXEVSA-N 1 0 263.406 3.255 20 10 CGCDRO COc1ccc(C[NH2+]Cc2cc(F)ccc2O)cc1Cl ZINC000718893485 800228379 /nfs/dbraw/zinc/22/83/79/800228379.db2.gz WKQUQNNPSCNRHR-UHFFFAOYSA-N 1 0 295.741 3.483 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000723650695 800335685 /nfs/dbraw/zinc/33/56/85/800335685.db2.gz NEMVEMGLJWSBGN-SLEUVZQESA-N 1 0 295.810 3.340 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+][C@@H](C1CC1)[C@H]1CCCOC1 ZINC000723996864 800350384 /nfs/dbraw/zinc/35/03/84/800350384.db2.gz PYPVGNLRAABGLX-LRDDRELGSA-N 1 0 295.810 3.340 20 10 CGCDRO C[C@H]([NH2+][C@@H](C1CC1)[C@@H]1CCCOC1)c1ccccc1O ZINC000724010954 800352597 /nfs/dbraw/zinc/35/25/97/800352597.db2.gz PXNOVNWSMRVHAG-QEORTHHSSA-N 1 0 275.392 3.248 20 10 CGCDRO C[C@H](Cc1ccccn1)[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC001256427417 806893899 /nfs/dbraw/zinc/89/38/99/806893899.db2.gz WNGWREDCMHRSMJ-OAHLLOKOSA-N 1 0 283.419 3.211 20 10 CGCDRO C[C@@H](Cc1ccncc1)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001256720849 806957211 /nfs/dbraw/zinc/95/72/11/806957211.db2.gz ZROJBHGDQPLNAW-INIZCTEOSA-N 1 0 295.430 3.403 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C[C@@H](C1CC1)N(C)C ZINC001116565888 802379113 /nfs/dbraw/zinc/37/91/13/802379113.db2.gz ZKVNCFGOPGZKED-YUELXQCFSA-N 1 0 288.435 3.179 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC)C1)c1ccc(F)cc1[O-] ZINC001117139602 802436692 /nfs/dbraw/zinc/43/66/92/802436692.db2.gz OHCNBLOHMNLOPY-BBRMVZONSA-N 1 0 294.414 3.304 20 10 CGCDRO C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC001118122730 802527139 /nfs/dbraw/zinc/52/71/39/802527139.db2.gz ZVGVYVKCINHLLB-BDAKNGLRSA-N 1 0 291.222 3.205 20 10 CGCDRO C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC001118122736 802527255 /nfs/dbraw/zinc/52/72/55/802527255.db2.gz ZVGVYVKCINHLLB-IUCAKERBSA-N 1 0 291.222 3.205 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCC[C@H](F)C1 ZINC001118201779 802537809 /nfs/dbraw/zinc/53/78/09/802537809.db2.gz MZIUKRBCJXGBIU-GJZGRUSLSA-N 1 0 264.388 3.431 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H]1COC[C@H]1C1CC1 ZINC001120258017 802736173 /nfs/dbraw/zinc/73/61/73/802736173.db2.gz CMCRANSLFHSPBI-UNQGMJICSA-N 1 0 287.403 3.264 20 10 CGCDRO CCOc1cccc(C[NH+]2CC3CCC(CC3)C2)c1O ZINC001203615385 812407175 /nfs/dbraw/zinc/40/71/75/812407175.db2.gz UOKBWHDBDJBSRC-UHFFFAOYSA-N 1 0 275.392 3.413 20 10 CGCDRO CN(C)c1ccc(C2=C[NH2+]CCC2)c(C(F)(F)F)c1 ZINC001243950501 803096594 /nfs/dbraw/zinc/09/65/94/803096594.db2.gz WQLKHSXACZZQBO-UHFFFAOYSA-N 1 0 270.298 3.496 20 10 CGCDRO CN(C)c1ccc(C2=CC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC001245422348 803733104 /nfs/dbraw/zinc/73/31/04/803733104.db2.gz BTGYVLSSVXAERN-GOSISDBHSA-N 1 0 286.419 3.021 20 10 CGCDRO C[C@@H]1Cc2ccccc2C[N@@H+]1Cc1c([O-])cccc1F ZINC001137840076 803779923 /nfs/dbraw/zinc/77/99/23/803779923.db2.gz RGGVVZZDZBZHSR-GFCCVEGCSA-N 1 0 271.335 3.478 20 10 CGCDRO Cc1cc(C[N@@H+]2CCC[C@H](CO)C2)c(C)n1-c1ccccc1 ZINC001137854486 803785882 /nfs/dbraw/zinc/78/58/82/803785882.db2.gz YMHIYEFKCFAZPL-KRWDZBQOSA-N 1 0 298.430 3.298 20 10 CGCDRO CC(C)[N@H+](CCCO)Cc1ccc(N2CCCCC2)cc1 ZINC001138220064 803875054 /nfs/dbraw/zinc/87/50/54/803875054.db2.gz YPCWKTQQKLFBAG-UHFFFAOYSA-N 1 0 290.451 3.270 20 10 CGCDRO Cc1c(C[N@@H+]2CCC(=O)[C@@H](C)CC2)c2ccccc2n1C ZINC001138252605 803879474 /nfs/dbraw/zinc/87/94/74/803879474.db2.gz NDEWYLBSEUOZSO-ZDUSSCGKSA-N 1 0 284.403 3.288 20 10 CGCDRO Cc1c(CN2CC[NH+](C(C)C)CC2)c2ccccc2n1C ZINC001138252765 803881266 /nfs/dbraw/zinc/88/12/66/803881266.db2.gz TVOSLQBDAVAACU-UHFFFAOYSA-N 1 0 285.435 3.013 20 10 CGCDRO Cc1c(C[N@H+](C)C[C@@H]2CCCCO2)c2ccccc2n1C ZINC001138256862 803882733 /nfs/dbraw/zinc/88/27/33/803882733.db2.gz NLNRDSARRWSCCL-HNNXBMFYSA-N 1 0 286.419 3.488 20 10 CGCDRO Cc1c(C[N@@H+]2CCCC3(COC3)C2)c2ccccc2n1C ZINC001138253911 803883181 /nfs/dbraw/zinc/88/31/81/803883181.db2.gz KHUSFAJPZWGMJM-UHFFFAOYSA-N 1 0 284.403 3.099 20 10 CGCDRO CO[C@H]1CC[N@H+](Cc2c(C)n(C)c3ccccc32)[C@@H](C)C1 ZINC001138260754 803886480 /nfs/dbraw/zinc/88/64/80/803886480.db2.gz RDLGEFOALUJIML-ZFWWWQNUSA-N 1 0 286.419 3.486 20 10 CGCDRO CN1CCCc2cc(C[N@@H+]3CC[C@H](C(F)(F)F)C3)ccc21 ZINC001138357152 803902589 /nfs/dbraw/zinc/90/25/89/803902589.db2.gz DOEAKWBOIBLZMT-AWEZNQCLSA-N 1 0 298.352 3.453 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)CC2CC2)c(OC)c1 ZINC001138388457 803912541 /nfs/dbraw/zinc/91/25/41/803912541.db2.gz VQNOXHQDWPRXMU-UHFFFAOYSA-N 1 0 276.424 3.383 20 10 CGCDRO CCN(CC)c1ccc(C[NH+]2CCC(F)CC2)c(OC)c1 ZINC001138386373 803913941 /nfs/dbraw/zinc/91/39/41/803913941.db2.gz LICYQPXVWDIPOH-UHFFFAOYSA-N 1 0 294.414 3.475 20 10 CGCDRO CC[C@@H]1CCC[N@@H+]1Cc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001139129029 804134483 /nfs/dbraw/zinc/13/44/83/804134483.db2.gz LHWHAPWIAWJRCT-GFCCVEGCSA-N 1 0 287.359 3.181 20 10 CGCDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@@H]1Cc1ccccn1 ZINC001140054947 804363971 /nfs/dbraw/zinc/36/39/71/804363971.db2.gz AVDQBCLSIHQTKF-MRXNPFEDSA-N 1 0 286.350 3.133 20 10 CGCDRO C[C@@]1(F)CCC[N@H+](Cc2cc(F)ccc2O)CC1 ZINC001140057671 804365814 /nfs/dbraw/zinc/36/58/14/804365814.db2.gz JNNRJNWSTZPMSR-CQSZACIVSA-N 1 0 255.308 3.245 20 10 CGCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@@]3(C2)CC(F)(F)CO3)c1O ZINC001140184216 804397050 /nfs/dbraw/zinc/39/70/50/804397050.db2.gz NOXQTRNJPGLHIT-HNNXBMFYSA-N 1 0 297.345 3.009 20 10 CGCDRO Cc1ccc(C)c(C[N@H+](C)Cc2ccccc2O)c1O ZINC001140183706 804397179 /nfs/dbraw/zinc/39/71/79/804397179.db2.gz HSORWNNXOZUSJY-UHFFFAOYSA-N 1 0 271.360 3.347 20 10 CGCDRO CO[C@@H]1CC[N@H+](Cc2c(C)ccc(C)c2O)[C@H](C)C1 ZINC001140184676 804398976 /nfs/dbraw/zinc/39/89/76/804398976.db2.gz DPZIOOBSGZKELS-ZIAGYGMSSA-N 1 0 263.381 3.008 20 10 CGCDRO OCC[C@@H]1CC12CC[NH+](Cc1c(O)cccc1Cl)CC2 ZINC001140337906 804418075 /nfs/dbraw/zinc/41/80/75/804418075.db2.gz MGWPHOFKIAMEGK-GFCCVEGCSA-N 1 0 295.810 3.030 20 10 CGCDRO C[C@H]1C[N@H+](Cc2c(O)cccc2Cl)CCC[C@]1(C)O ZINC001140337893 804418161 /nfs/dbraw/zinc/41/81/61/804418161.db2.gz LMYUGBUEHBSYCW-NHYWBVRUSA-N 1 0 283.799 3.029 20 10 CGCDRO Oc1cccc(Cl)c1C[NH+]1CCC2(CCOC2)CC1 ZINC001140338167 804418364 /nfs/dbraw/zinc/41/83/64/804418364.db2.gz YIFJPZKLCLSOOJ-UHFFFAOYSA-N 1 0 281.783 3.048 20 10 CGCDRO C[C@@]1(F)CCN(Cc2ccc(Cl)cc2O)C[C@@H]1F ZINC001140462521 804440623 /nfs/dbraw/zinc/44/06/23/804440623.db2.gz IBMHYWRAPUNXTJ-QWHCGFSZSA-N 1 0 275.726 3.318 20 10 CGCDRO Oc1cc(Cl)ccc1C[N@@H+]1CC[C@H]2CCCO[C@H]2C1 ZINC001140463079 804441313 /nfs/dbraw/zinc/44/13/13/804441313.db2.gz RWHSMNPTVDSVSP-ABAIWWIYSA-N 1 0 281.783 3.047 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H](Oc3cccc(C)n3)C2)c1 ZINC001140624523 804478174 /nfs/dbraw/zinc/47/81/74/804478174.db2.gz ZSVGXKXBEMNWFY-INIZCTEOSA-N 1 0 298.386 3.057 20 10 CGCDRO Cc1ccc(O)c(C[N@H+](C)CCC(=O)c2cccs2)c1 ZINC001140623693 804478242 /nfs/dbraw/zinc/47/82/42/804478242.db2.gz QEFXVTNSCAVXNZ-UHFFFAOYSA-N 1 0 289.400 3.467 20 10 CGCDRO Cc1c(O)ccc(C[N@H+](C)Cc2cccc(F)c2)c1O ZINC001140741951 804502660 /nfs/dbraw/zinc/50/26/60/804502660.db2.gz FBEBEQIKKJGVNZ-UHFFFAOYSA-N 1 0 275.323 3.177 20 10 CGCDRO CN(C)c1ccc(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)c(Cl)c1 ZINC001140924093 804550984 /nfs/dbraw/zinc/55/09/84/804550984.db2.gz CZYUVPFYOPZQSG-OKILXGFUSA-N 1 0 278.827 3.494 20 10 CGCDRO Cc1ccc(C[N@H+](Cc2ccccc2)CC(C)(C)O)c(O)c1 ZINC001140957655 804557522 /nfs/dbraw/zinc/55/75/22/804557522.db2.gz HHOIVZILTLSALK-UHFFFAOYSA-N 1 0 299.414 3.474 20 10 CGCDRO C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141074594 804584952 /nfs/dbraw/zinc/58/49/52/804584952.db2.gz NGLFDRVNWCKZKJ-DYVFJYSZSA-N 1 0 288.410 3.318 20 10 CGCDRO CCCCC[N@H+](C)Cc1ccc2c(c1)OCCN2C ZINC001141139098 804596848 /nfs/dbraw/zinc/59/68/48/804596848.db2.gz IYQVSUZLDKLZPD-UHFFFAOYSA-N 1 0 262.397 3.137 20 10 CGCDRO C[N@H+](C/C=C/c1ccccc1)Cc1cc(O)ccc1O ZINC001141161236 804601371 /nfs/dbraw/zinc/60/13/71/804601371.db2.gz PSBMHJNEOQIEJQ-VMPITWQZSA-N 1 0 269.344 3.243 20 10 CGCDRO CC[N@H+](Cc1ccccc1F)Cc1cc(O)ccc1O ZINC001141160911 804602142 /nfs/dbraw/zinc/60/21/42/804602142.db2.gz JIDRDFZSAIIGFB-UHFFFAOYSA-N 1 0 275.323 3.259 20 10 CGCDRO Oc1ccc(O)c(C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)c1 ZINC001141162652 804602166 /nfs/dbraw/zinc/60/21/66/804602166.db2.gz YPGPBZPRIONTPC-CHWSQXEVSA-N 1 0 261.365 3.110 20 10 CGCDRO C[C@@H]1CC(=O)CCN1Cc1cccc(C(C)(C)C)c1O ZINC001143104032 804802492 /nfs/dbraw/zinc/80/24/92/804802492.db2.gz OLFAMMKCXUURER-GFCCVEGCSA-N 1 0 275.392 3.243 20 10 CGCDRO CC(C)(C)c1cccc(C[N@@H+]2CC[C@H]3OCC[C@H]32)c1O ZINC001143104476 804802597 /nfs/dbraw/zinc/80/25/97/804802597.db2.gz SXJOPPWBVPCYPC-HUUCEWRRSA-N 1 0 275.392 3.053 20 10 CGCDRO CC(C)(C)c1cccc(C[N@@H+]2C[C@H]3CC[C@@H]2CO3)c1O ZINC001143117053 804805020 /nfs/dbraw/zinc/80/50/20/804805020.db2.gz QUVOUHNMUHMUPO-ZIAGYGMSSA-N 1 0 275.392 3.053 20 10 CGCDRO COc1cc(C)cc(C[N@H+](C)Cc2ccccc2O)c1 ZINC001143159867 804813309 /nfs/dbraw/zinc/81/33/09/804813309.db2.gz IWRVDGIXGRYBEP-UHFFFAOYSA-N 1 0 271.360 3.341 20 10 CGCDRO CN(CC[NH+](C)C)Cc1cc(Cl)c(C(C)(C)C)cc1O ZINC001248879610 805029639 /nfs/dbraw/zinc/02/96/39/805029639.db2.gz CBKYLDYIPLACJZ-UHFFFAOYSA-N 1 0 298.858 3.337 20 10 CGCDRO Cc1cc(C[N@@H+]2CCC[C@H]3C[C@H]32)c(O)cc1Br ZINC001250133658 805435023 /nfs/dbraw/zinc/43/50/23/805435023.db2.gz NPGJVXPDIKDSBR-GXFFZTMASA-N 1 0 296.208 3.447 20 10 CGCDRO CCCCCC[C@H](C)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001257354865 807120258 /nfs/dbraw/zinc/12/02/58/807120258.db2.gz OTKGTEVXKBTJBE-BLLLJJGKSA-N 1 0 281.396 3.080 20 10 CGCDRO CCC[C@H](C)CC[C@@H](C)[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC001257473364 807173604 /nfs/dbraw/zinc/17/36/04/807173604.db2.gz YDYKLDLALCUFQH-QWHCGFSZSA-N 1 0 293.407 3.475 20 10 CGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001167958053 807286591 /nfs/dbraw/zinc/28/65/91/807286591.db2.gz YBDSTJXZSDXVRI-QLPKVWCKSA-N 1 0 258.409 3.373 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]CC(=O)c2ccc(O)c(O)c2)CC(C)(C)C1 ZINC001258688927 807545083 /nfs/dbraw/zinc/54/50/83/807545083.db2.gz ZSJYEQOFQVSAPD-YPMHNXCESA-N 1 0 291.391 3.085 20 10 CGCDRO CCCC[C@@H](CCC)[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC001258757221 807596859 /nfs/dbraw/zinc/59/68/59/807596859.db2.gz KMEYZVWKDBGKQW-CYBMUJFWSA-N 1 0 279.380 3.229 20 10 CGCDRO CC[C@@H]1C[C@@H]([N@H+](CC)Cc2ccccc2O)CCO1 ZINC001170235221 807799500 /nfs/dbraw/zinc/79/95/00/807799500.db2.gz KUYJVHGPZPPKIU-LSDHHAIUSA-N 1 0 263.381 3.172 20 10 CGCDRO Cc1ccccc1C1(C[NH2+]Cc2ccc(N)cc2)CC1 ZINC001262487897 807867966 /nfs/dbraw/zinc/86/79/66/807867966.db2.gz JSEJGVVMALIEAD-UHFFFAOYSA-N 1 0 266.388 3.399 20 10 CGCDRO Cc1cccc2c1CC[C@@H]([NH2+]Cc1cccc(O)c1O)C2 ZINC001171559427 808095504 /nfs/dbraw/zinc/09/55/04/808095504.db2.gz FJENVMHXYCVVDG-OAHLLOKOSA-N 1 0 283.371 3.053 20 10 CGCDRO COC(=O)[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2ccccc2O)CC1 ZINC001172777890 808438041 /nfs/dbraw/zinc/43/80/41/808438041.db2.gz SFKZJXKCIZSPBP-MGPQQGTHSA-N 1 0 291.391 3.165 20 10 CGCDRO CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC001173260846 808565781 /nfs/dbraw/zinc/56/57/81/808565781.db2.gz OGWDHFFDQJAOCP-WBVHZDCISA-N 1 0 288.435 3.192 20 10 CGCDRO CCC(CC)(CO)C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001178213632 809852098 /nfs/dbraw/zinc/85/20/98/809852098.db2.gz RZTDPDXGXROQBX-UHFFFAOYSA-N 1 0 289.778 3.073 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc2nccnc2c1)c1ccccc1O ZINC001179493555 809925023 /nfs/dbraw/zinc/92/50/23/809925023.db2.gz CNCRFUODKKUQKT-LBPRGKRZSA-N 1 0 279.343 3.186 20 10 CGCDRO CC(C)C[N@H+](C)Cc1cc(F)c(N(C)C)cc1F ZINC001180170260 809981272 /nfs/dbraw/zinc/98/12/72/809981272.db2.gz NYQYGCHNRYZLJL-UHFFFAOYSA-N 1 0 256.340 3.119 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2C[C@H](C)C[C@@H]2c2cccnc2)c1 ZINC001180664763 810017563 /nfs/dbraw/zinc/01/75/63/810017563.db2.gz JDVKNPTVPZZJLP-CXAGYDPISA-N 1 0 298.386 3.379 20 10 CGCDRO CO[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2O)C12CCC2 ZINC001182249711 810100162 /nfs/dbraw/zinc/10/01/62/810100162.db2.gz GFCWBHXYCFTQBX-KGLIPLIRSA-N 1 0 281.783 3.093 20 10 CGCDRO COc1ccc(F)c(C[NH2+]Cc2ccc(Cl)cc2O)c1 ZINC001182999095 810133539 /nfs/dbraw/zinc/13/35/39/810133539.db2.gz GDHYSAHPKZNBJQ-UHFFFAOYSA-N 1 0 295.741 3.483 20 10 CGCDRO Oc1cc(Br)ccc1C[NH2+][C@@H]1C[C@H]2CCC[C@@H]21 ZINC001184250158 810184932 /nfs/dbraw/zinc/18/49/32/810184932.db2.gz CRHPCAWSWPJJIN-JIMOISOXSA-N 1 0 296.208 3.433 20 10 CGCDRO COc1ccc(C[NH2+][C@H](CO)c2sccc2C)cc1C ZINC001193703615 810937764 /nfs/dbraw/zinc/93/77/64/810937764.db2.gz JLRANTWVVYJLRO-CQSZACIVSA-N 1 0 291.416 3.197 20 10 CGCDRO CCCC[N@H+](CCOC1CC1)Cc1ccccc1O ZINC001193838038 810964991 /nfs/dbraw/zinc/96/49/91/810964991.db2.gz DIIBKZSSIAQSAQ-UHFFFAOYSA-N 1 0 263.381 3.173 20 10 CGCDRO Cc1cc(C[N@H+](C)[C@@H](CO)CC(C)(C)C)ccc1N(C)C ZINC001194383327 811064440 /nfs/dbraw/zinc/06/44/40/811064440.db2.gz BLVXBHNOXWWRRJ-MRXNPFEDSA-N 1 0 292.467 3.290 20 10 CGCDRO C[C@H](C[NH2+]Cc1cc(F)c(N(C)C)cc1F)C1CC1 ZINC001199732871 811594332 /nfs/dbraw/zinc/59/43/32/811594332.db2.gz UNQAEYHDNLJYKE-SNVBAGLBSA-N 1 0 268.351 3.167 20 10 CGCDRO CC1(C)CC[N@H+](Cc2c(O)ccc(F)c2Cl)C1 ZINC001237123272 819672452 /nfs/dbraw/zinc/67/24/52/819672452.db2.gz BFYXJPMYOYRTLP-UHFFFAOYSA-N 1 0 257.736 3.417 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](C2CCC2)[C@@H]2CCCO2)cc1C ZINC001203270128 812286522 /nfs/dbraw/zinc/28/65/22/812286522.db2.gz HXAXLZJFHGCMBV-ROUUACIJSA-N 1 0 289.419 3.441 20 10 CGCDRO COc1cccc(C[N@H+](C)CCc2ccc(C)cc2)c1O ZINC001203596546 812404104 /nfs/dbraw/zinc/40/41/04/812404104.db2.gz IHFMKKOQSKQREM-UHFFFAOYSA-N 1 0 285.387 3.384 20 10 CGCDRO COCC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC001203657356 812419341 /nfs/dbraw/zinc/41/93/41/812419341.db2.gz JNKORUUJIWXECV-AWEZNQCLSA-N 1 0 283.799 3.437 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH+]1CCC2(C[C@@H](F)CO2)CC1 ZINC001203664343 812422874 /nfs/dbraw/zinc/42/28/74/812422874.db2.gz ZQCGNTVMSQWMFT-CYBMUJFWSA-N 1 0 299.773 3.139 20 10 CGCDRO Oc1ccc(C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)cc1O ZINC001203880457 812477886 /nfs/dbraw/zinc/47/78/86/812477886.db2.gz SIHRUEROPIOMSU-AWEZNQCLSA-N 1 0 287.334 3.226 20 10 CGCDRO CC[N@H+](Cc1ccc(C)cc1)Cc1ccc(O)c(O)c1 ZINC001203881326 812479759 /nfs/dbraw/zinc/47/97/59/812479759.db2.gz OYWZCMSSBZPZID-UHFFFAOYSA-N 1 0 271.360 3.428 20 10 CGCDRO CN(C)c1ccc(C[N@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)cc1 ZINC001203931181 812494461 /nfs/dbraw/zinc/49/44/61/812494461.db2.gz OAINJNPBFQDACZ-OKILXGFUSA-N 1 0 280.362 3.230 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCO[C@@H](C(C)C)C2)cc1 ZINC001203941918 812497954 /nfs/dbraw/zinc/49/79/54/812497954.db2.gz GXHSMXPMTLAOIU-GOSISDBHSA-N 1 0 290.451 3.390 20 10 CGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cccc(C)n1 ZINC001204071075 812540873 /nfs/dbraw/zinc/54/08/73/812540873.db2.gz QTBDBIODMYBUMC-UHFFFAOYSA-N 1 0 283.419 3.478 20 10 CGCDRO Oc1ccc(C[N@@H+]2CCCC3(CCCC3)C2)c(O)c1 ZINC001204275770 812594068 /nfs/dbraw/zinc/59/40/68/812594068.db2.gz AQKCODSBMBIEIU-UHFFFAOYSA-N 1 0 261.365 3.254 20 10 CGCDRO CC(=O)[C@@H]1CCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204322234 812612979 /nfs/dbraw/zinc/61/29/79/812612979.db2.gz QCHZNHOWVKPOJN-QGZVFWFLSA-N 1 0 286.419 3.088 20 10 CGCDRO CSCC[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001204328930 812613887 /nfs/dbraw/zinc/61/38/87/812613887.db2.gz UMGAGPWPWZTZJC-UHFFFAOYSA-N 1 0 264.438 3.082 20 10 CGCDRO c1cc(N2CCCC2)ccc1C[N@@H+]1CCC[C@@H]2C[C@@H]21 ZINC001204328599 812614732 /nfs/dbraw/zinc/61/47/32/812614732.db2.gz KETRQZGPAFDFCU-WBVHZDCISA-N 1 0 256.393 3.271 20 10 CGCDRO CC(C)O[C@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204328273 812615037 /nfs/dbraw/zinc/61/50/37/812615037.db2.gz FSRBPQDKWPSFQL-SFHVURJKSA-N 1 0 288.435 3.286 20 10 CGCDRO COc1cc(C[N@H+](Cc2ccccc2)C2CC2)cc(O)c1O ZINC001204346729 812618285 /nfs/dbraw/zinc/61/82/85/812618285.db2.gz XFYDDBIAGQJVTK-UHFFFAOYSA-N 1 0 299.370 3.271 20 10 CGCDRO CO[C@]1(C)C[C@@H]([N@H+](C)Cc2ccc(C)cc2O)C1(C)C ZINC001204359002 812620508 /nfs/dbraw/zinc/62/05/08/812620508.db2.gz NYRWXWMLCCOHTH-NVXWUHKLSA-N 1 0 277.408 3.336 20 10 CGCDRO CCn1cc(C[N@H+](C)Cc2ccc(N3CCCC3)cc2)cn1 ZINC001205538975 812997065 /nfs/dbraw/zinc/99/70/65/812997065.db2.gz ZMWJASRVTXVSET-UHFFFAOYSA-N 1 0 298.434 3.135 20 10 CGCDRO CCc1cccc(C[NH2+]Cc2nc3ccccc3o2)c1O ZINC001207605833 813610336 /nfs/dbraw/zinc/61/03/36/813610336.db2.gz YOWVRVCEYHMUCN-UHFFFAOYSA-N 1 0 282.343 3.386 20 10 CGCDRO C[N@H+](CCCC(=O)OC(C)(C)C)Cc1cc(F)ccc1O ZINC001207732463 813641812 /nfs/dbraw/zinc/64/18/12/813641812.db2.gz KJGDXDFCQGCXNP-UHFFFAOYSA-N 1 0 297.370 3.085 20 10 CGCDRO C[C@H]([NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C)C1CCC1 ZINC001207748636 813644874 /nfs/dbraw/zinc/64/48/74/813644874.db2.gz MKTXWDBKCRUFAA-KBXCAEBGSA-N 1 0 289.467 3.134 20 10 CGCDRO CCC(=O)C(C)(C)C[N@H+](CC)Cc1ccccc1O ZINC001208920286 813898416 /nfs/dbraw/zinc/89/84/16/813898416.db2.gz ATUVVTXNKCNCJD-UHFFFAOYSA-N 1 0 263.381 3.219 20 10 CGCDRO C[NH+](C)Cc1ccc(Nc2ccc3c(c2)OCCN3)cc1 ZINC001209766289 814134849 /nfs/dbraw/zinc/13/48/49/814134849.db2.gz MQELARDYCDRJTA-UHFFFAOYSA-N 1 0 283.375 3.296 20 10 CGCDRO Oc1cccc(NC2=CC[C@@H]([NH+]3CCCC3)CC2)c1O ZINC001210712765 814593410 /nfs/dbraw/zinc/59/34/10/814593410.db2.gz BKYFXZWDJKTHIL-CYBMUJFWSA-N 1 0 274.364 3.042 20 10 CGCDRO C[C@@H](Cc1ccccc1)Oc1ccc(N2CC[NH2+]CC2)cc1 ZINC001218291985 816155104 /nfs/dbraw/zinc/15/51/04/816155104.db2.gz NBWWWNJUVHLCFA-INIZCTEOSA-N 1 0 296.414 3.106 20 10 CGCDRO CC(C)N1CC[N@H+](Cc2c(O)ccc3ccccc32)C[C@@H]1C ZINC001231589752 818130086 /nfs/dbraw/zinc/13/00/86/818130086.db2.gz PPWIACKJUXQPOI-HNNXBMFYSA-N 1 0 298.430 3.460 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCOC[C@H]2C2CCCCC2)c1O ZINC001231594414 818132402 /nfs/dbraw/zinc/13/24/02/818132402.db2.gz GPRGVWHGEATIMO-KRWDZBQOSA-N 1 0 289.419 3.482 20 10 CGCDRO Cc1ccn2cc(C[N@@H+](C)Cc3cccc(C)c3O)nc2c1 ZINC001231595206 818134212 /nfs/dbraw/zinc/13/42/12/818134212.db2.gz QRVREJDXKKUVTQ-UHFFFAOYSA-N 1 0 295.386 3.289 20 10 CGCDRO Cc1cc(C)c(C[N@H+]2C[C@H]3[C@H](CC3(F)F)C2)c(O)c1 ZINC001231842548 818186335 /nfs/dbraw/zinc/18/63/35/818186335.db2.gz OCCCRPDLFNSIRR-YPMHNXCESA-N 1 0 267.319 3.096 20 10 CGCDRO Cc1cc(C)c(C[N@@H+]2CCC[C@H](C(F)F)C2)c(O)c1 ZINC001231846070 818187212 /nfs/dbraw/zinc/18/72/12/818187212.db2.gz FDVGXAKVHGOSPF-LBPRGKRZSA-N 1 0 269.335 3.486 20 10 CGCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCCC[C@@H]1C ZINC001231848549 818187311 /nfs/dbraw/zinc/18/73/11/818187311.db2.gz IGERCQFHSHSFRU-ZDUSSCGKSA-N 1 0 262.397 3.136 20 10 CGCDRO CSC1CC[NH+](Cc2c(C)cc(C)cc2O)CC1 ZINC001231847329 818187818 /nfs/dbraw/zinc/18/78/18/818187818.db2.gz WSVZUONGBQHYDD-UHFFFAOYSA-N 1 0 265.422 3.336 20 10 CGCDRO Cc1nc2c(s1)C[N@H+](Cc1c(C)cc(C)cc1O)CC2 ZINC001231846813 818187881 /nfs/dbraw/zinc/18/78/81/818187881.db2.gz PXHYVHURZNHRFX-UHFFFAOYSA-N 1 0 288.416 3.332 20 10 CGCDRO Cc1cc(C)c(C[NH+]2CC3(C2)C[C@@H](F)CS3)c(O)c1 ZINC001231849638 818189281 /nfs/dbraw/zinc/18/92/81/818189281.db2.gz TYVXXHAKVYPCDS-GFCCVEGCSA-N 1 0 281.396 3.038 20 10 CGCDRO Cc1cc(O)c(CN2C[C@@H]3C[C@@H]3[C@H](F)C2)cc1Cl ZINC001231867016 818191787 /nfs/dbraw/zinc/19/17/87/818191787.db2.gz GNGFRWYJCZXYBC-XHVZSJERSA-N 1 0 269.747 3.144 20 10 CGCDRO Cc1cc(O)c(C[NH+]2CCC(F)CC2)cc1Cl ZINC001231866264 818192340 /nfs/dbraw/zinc/19/23/40/818192340.db2.gz BSPYPCQGLBIJRD-UHFFFAOYSA-N 1 0 257.736 3.288 20 10 CGCDRO Cc1cc(O)c(CN2C[C@@H]3C[C@@H]3[C@@H](F)C2)cc1Cl ZINC001231867014 818192413 /nfs/dbraw/zinc/19/24/13/818192413.db2.gz GNGFRWYJCZXYBC-GAFUQQFSSA-N 1 0 269.747 3.144 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2CC[C@H](C)[C@@](C)(O)CC2)cc1Cl ZINC001231869315 818193905 /nfs/dbraw/zinc/19/39/05/818193905.db2.gz QGFAPPQDSLFXJG-LRDDRELGSA-N 1 0 297.826 3.337 20 10 CGCDRO C[C@@]1(O)CCCC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC001231879529 818198917 /nfs/dbraw/zinc/19/89/17/818198917.db2.gz HDUQNBHCCZLJRF-GOSISDBHSA-N 1 0 285.387 3.282 20 10 CGCDRO C[C@@H]1CCC[N@H+](Cc2cc(Cl)c(O)cc2O)CC1 ZINC001232261271 818295587 /nfs/dbraw/zinc/29/55/87/818295587.db2.gz YDYVPXFDLYPPGS-SNVBAGLBSA-N 1 0 269.772 3.373 20 10 CGCDRO C[C@@H]1CCC[N@H+](Cc2cc(Cl)c(O)cc2O)[C@H]1C ZINC001232267541 818298525 /nfs/dbraw/zinc/29/85/25/818298525.db2.gz ISZOZXBIWWBROT-ZJUUUORDSA-N 1 0 269.772 3.372 20 10 CGCDRO COC(=O)c1c(C[NH+]2C3CCC2CC3)c2ccccc2n1C ZINC001232407455 818339577 /nfs/dbraw/zinc/33/95/77/818339577.db2.gz OWLGESGFBNYLLY-UHFFFAOYSA-N 1 0 298.386 3.092 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC23CCCCC3)c(O)c1 ZINC001232835298 818452059 /nfs/dbraw/zinc/45/20/59/818452059.db2.gz ABNGWBWPSKHUIR-UHFFFAOYSA-N 1 0 274.408 3.367 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)c(O)c1 ZINC001232840028 818453567 /nfs/dbraw/zinc/45/35/67/818453567.db2.gz KKPWAFQAOOARKD-BBRMVZONSA-N 1 0 274.408 3.223 20 10 CGCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CCC[C@@H](CCO)C2)c1 ZINC001233286503 818568242 /nfs/dbraw/zinc/56/82/42/818568242.db2.gz WSVYLOHKGGUHHL-AWEZNQCLSA-N 1 0 291.435 3.284 20 10 CGCDRO C[N@H+](Cc1ccc(F)cc1)Cc1c([O-])ccc(F)c1F ZINC001233331557 818582823 /nfs/dbraw/zinc/58/28/23/818582823.db2.gz BFOICXQIUFDNEV-UHFFFAOYSA-N 1 0 281.277 3.442 20 10 CGCDRO Oc1cc(C(F)(F)F)ccc1C[NH+]1CC(C(F)F)C1 ZINC001233455784 818624795 /nfs/dbraw/zinc/62/47/95/818624795.db2.gz YKNPOZALVNKGCM-UHFFFAOYSA-N 1 0 281.224 3.108 20 10 CGCDRO Oc1c(C[N@@H+]2C[C@H]3CC[C@@H]2C3)cccc1OC(F)(F)F ZINC001233761343 818699191 /nfs/dbraw/zinc/69/91/91/818699191.db2.gz RWDUKVGRJPRVIE-GXSJLCMTSA-N 1 0 287.281 3.275 20 10 CGCDRO CC[NH+]1CCN(c2ccc(O[C@H]3CC[C@@H](C)C3)cc2)CC1 ZINC001234657524 818907371 /nfs/dbraw/zinc/90/73/71/818907371.db2.gz DKNCFSISOFINRM-QAPCUYQASA-N 1 0 288.435 3.396 20 10 CGCDRO C[C@H]1C[NH2+]CCN1Cc1cc(Cl)c(C(C)(C)C)cc1O ZINC001235360351 819077711 /nfs/dbraw/zinc/07/77/11/819077711.db2.gz FLBHBAVVRQVZIR-NSHDSACASA-N 1 0 296.842 3.137 20 10 CGCDRO CC(C)[C@@H]1CN(Cc2cc(C(C)(C)C)ccc2O)CC[NH2+]1 ZINC001235475246 819108453 /nfs/dbraw/zinc/10/84/53/819108453.db2.gz PPAQRRDLYOSXOQ-INIZCTEOSA-N 1 0 290.451 3.120 20 10 CGCDRO C[C@H]1C[C@H](O)CC[N@@H+]1Cc1ccc(C(C)(C)C)cc1O ZINC001235677138 819136549 /nfs/dbraw/zinc/13/65/49/819136549.db2.gz BRTRPYNPQWYBNE-SWLSCSKDSA-N 1 0 277.408 3.035 20 10 CGCDRO CC(C)(C)c1ccc(C[N@@H+]2CCOC[C@H]2C2CC2)c(O)c1 ZINC001235677758 819138840 /nfs/dbraw/zinc/13/88/40/819138840.db2.gz HLCFBYVNDNSXTD-INIZCTEOSA-N 1 0 289.419 3.301 20 10 CGCDRO CC(C)C[C@H]1CN(Cc2ccc3ccccc3c2O)CC[NH2+]1 ZINC001235881159 819195008 /nfs/dbraw/zinc/19/50/08/819195008.db2.gz BRLJPROFBHYZOQ-KRWDZBQOSA-N 1 0 298.430 3.365 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(CN2C[C@H](C)C[C@H]([NH3+])C2)cc1 ZINC001236050488 819287076 /nfs/dbraw/zinc/28/70/76/819287076.db2.gz STXXKNXURVEWHU-KDOFPFPSSA-N 1 0 297.446 3.263 20 10 CGCDRO CN(Cc1ccc2ccccc2c1O)[C@]1(C)CCC[NH2+]C1 ZINC001236206763 819368583 /nfs/dbraw/zinc/36/85/83/819368583.db2.gz LVWZHZHGYYMRMY-GOSISDBHSA-N 1 0 284.403 3.119 20 10 CGCDRO Cc1c(CN(C2CC2)[C@H]2CCC[NH2+]C2)c2ccccc2n1C ZINC001236239997 819399815 /nfs/dbraw/zinc/39/98/15/819399815.db2.gz NRXAHSYLMTZBTF-INIZCTEOSA-N 1 0 297.446 3.203 20 10 CGCDRO Cc1c(CN(C(C)C)[C@@H]2CCC[NH2+]C2)c2ccccc2n1C ZINC001236468571 819489644 /nfs/dbraw/zinc/48/96/44/819489644.db2.gz JDYHERJMNLQAPS-MRXNPFEDSA-N 1 0 299.462 3.449 20 10 CGCDRO CC(C)N(Cc1ccc(Cl)cc1O)[C@@H]1CCC[NH2+]C1 ZINC001236468381 819489864 /nfs/dbraw/zinc/48/98/64/819489864.db2.gz LPCPTCHEDTZSDI-CQSZACIVSA-N 1 0 282.815 3.008 20 10 CGCDRO CC(C)CN(Cc1cc(Cl)ccc1O)[C@@H]1CCC[NH2+]C1 ZINC001236473483 819492271 /nfs/dbraw/zinc/49/22/71/819492271.db2.gz JSOPXZMPOFZDNA-OAHLLOKOSA-N 1 0 296.842 3.256 20 10 CGCDRO CCc1ccc(C[N@@H+]2CCC[C@@H]2CN2CCCC2)c(O)c1 ZINC001236793883 819596449 /nfs/dbraw/zinc/59/64/49/819596449.db2.gz GVWWIXRSVIWMJB-QGZVFWFLSA-N 1 0 288.435 3.015 20 10 CGCDRO COc1cc(O)c(C[N@H+](C)C[C@@H]2CCCCO2)c(Cl)c1 ZINC001236797814 819599317 /nfs/dbraw/zinc/59/93/17/819599317.db2.gz AWMYPTVPDLWJCP-NSHDSACASA-N 1 0 299.798 3.055 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2C[C@H]3CC[C@@H]2C3)c(Cl)c1 ZINC001236803925 819602376 /nfs/dbraw/zinc/60/23/76/819602376.db2.gz QFGYNBHHQKBTGW-VHSXEESVSA-N 1 0 267.756 3.039 20 10 CGCDRO C[C@H]1C[N@H+](Cc2cc3ccccc3cc2O)CC[C@@]1(C)O ZINC001236825698 819608316 /nfs/dbraw/zinc/60/83/16/819608316.db2.gz CMJHYLNPASBJNK-SCLBCKFNSA-N 1 0 285.387 3.138 20 10 CGCDRO Cc1ncc2n1CCN(Cc1cc3ccccc3cc1O)C2 ZINC001236828623 819609868 /nfs/dbraw/zinc/60/98/68/819609868.db2.gz DSTCEPFNYODTEI-UHFFFAOYSA-N 1 0 293.370 3.066 20 10 CGCDRO CC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc2ccccc2cc1O ZINC001236837013 819616209 /nfs/dbraw/zinc/61/62/09/819616209.db2.gz MALYHHLMIGAVGV-KRWDZBQOSA-N 1 0 283.371 3.489 20 10 CGCDRO CC[NH+](CC)CCN(C)Cc1cc2ccccc2cc1O ZINC001236839657 819616859 /nfs/dbraw/zinc/61/68/59/819616859.db2.gz KSSAETKALPVPBT-UHFFFAOYSA-N 1 0 286.419 3.319 20 10 CGCDRO CCC[N@@H+](Cc1ccc(C(C)C)cc1O)C[C@H]1CC[NH2+]C1 ZINC001236841955 819618275 /nfs/dbraw/zinc/61/82/75/819618275.db2.gz BFDCMFACTBBLRP-HNNXBMFYSA-N 1 0 290.451 3.337 20 10 CGCDRO CCC[N@@H+](Cc1ccc(C(C)C)cc1O)C[C@@H]1CC[NH2+]C1 ZINC001236841956 819619281 /nfs/dbraw/zinc/61/92/81/819619281.db2.gz BFDCMFACTBBLRP-OAHLLOKOSA-N 1 0 290.451 3.337 20 10 CGCDRO Cc1cccc(O[C@H]2CCC[N@H+](Cc3ccc(N)cc3)C2)n1 ZINC001236849352 819620724 /nfs/dbraw/zinc/62/07/24/819620724.db2.gz WCRNTWPQCAZPCX-KRWDZBQOSA-N 1 0 297.402 3.016 20 10 CGCDRO CC[N@H+](Cc1ccc(N2CCOCC2)cc1Cl)C(C)C ZINC001236929637 819638291 /nfs/dbraw/zinc/63/82/91/819638291.db2.gz RKYIEWKASVZXBC-UHFFFAOYSA-N 1 0 296.842 3.407 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2CCC[C@H](C)[C@@H]2CO)c(O)c1 ZINC001237046179 819650521 /nfs/dbraw/zinc/65/05/21/819650521.db2.gz RASTYKPKKPKCDJ-BBRMVZONSA-N 1 0 277.408 3.108 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2CC[C@H]3OCC[C@H]3C2)c(O)c1 ZINC001237056003 819653673 /nfs/dbraw/zinc/65/36/73/819653673.db2.gz UKSUGJHQFQCSMW-DOTOQJQBSA-N 1 0 275.392 3.126 20 10 CGCDRO CC(C)c1ccc(CN2CC[C@@H]([NH+]3CCCC3)C2)c(O)c1 ZINC001237053521 819655064 /nfs/dbraw/zinc/65/50/64/819655064.db2.gz LZTPRJYMBGBXBH-QGZVFWFLSA-N 1 0 288.435 3.186 20 10 CGCDRO C[N@H+](CCc1cccnc1)Cc1c(O)ccc(F)c1Cl ZINC001237126680 819673223 /nfs/dbraw/zinc/67/32/23/819673223.db2.gz OOWLAPVSXWSIAH-UHFFFAOYSA-N 1 0 294.757 3.254 20 10 CGCDRO C[N@H+](CCc1ccncc1)Cc1c(O)ccc(F)c1Cl ZINC001237127198 819673696 /nfs/dbraw/zinc/67/36/96/819673696.db2.gz WFTZDPCZULABKV-UHFFFAOYSA-N 1 0 294.757 3.254 20 10 CGCDRO Oc1ccc(F)c(Cl)c1C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC001237127222 819673774 /nfs/dbraw/zinc/67/37/74/819673774.db2.gz WWMDCFASKUZOOS-LBPRGKRZSA-N 1 0 291.700 3.416 20 10 CGCDRO Oc1ccc(C(F)(F)F)cc1C[NH+]1CC2CC(C2)C1 ZINC001237143183 819676474 /nfs/dbraw/zinc/67/64/74/819676474.db2.gz KESJMPQHPCCJHR-UHFFFAOYSA-N 1 0 271.282 3.253 20 10 CGCDRO COc1cccc2c1C[N@H+](Cc1c(C)cccc1O)CC2 ZINC001237481647 819760345 /nfs/dbraw/zinc/76/03/45/819760345.db2.gz GRAIQIBHBOJZNU-UHFFFAOYSA-N 1 0 283.371 3.268 20 10 CGCDRO Cc1cccc(O)c1C[N@H+](C)CCc1ccccc1 ZINC001237482692 819760976 /nfs/dbraw/zinc/76/09/76/819760976.db2.gz NHUYNGRIAFBAAD-UHFFFAOYSA-N 1 0 255.361 3.375 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@H]1COCc1ccccc1 ZINC001237489002 819761838 /nfs/dbraw/zinc/76/18/38/819761838.db2.gz BLFSTSUBSGZHNI-QGZVFWFLSA-N 1 0 297.398 3.492 20 10 CGCDRO CC[N@H+](Cc1ccccc1O)Cc1c(C)cccc1O ZINC001237489439 819761918 /nfs/dbraw/zinc/76/19/18/819761918.db2.gz AWMAWWDYCIPZKM-UHFFFAOYSA-N 1 0 271.360 3.428 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@H]1C(=O)OC(C)(C)C ZINC001237489102 819762368 /nfs/dbraw/zinc/76/23/68/819762368.db2.gz FIVLEJCNCLVRFU-AWEZNQCLSA-N 1 0 291.391 3.007 20 10 CGCDRO COc1cccc2c1CC[N@H+](Cc1c(C)cccc1O)C2 ZINC001237493333 819764753 /nfs/dbraw/zinc/76/47/53/819764753.db2.gz XJWSWRFRNGAOMN-UHFFFAOYSA-N 1 0 283.371 3.268 20 10 CGCDRO Cc1cccc(O)c1C[N@H+](C)Cc1ccccc1F ZINC001237490397 819764894 /nfs/dbraw/zinc/76/48/94/819764894.db2.gz ULZZGOVMKSHMMR-UHFFFAOYSA-N 1 0 259.324 3.472 20 10 CGCDRO CCC1CC[NH+](Cc2cc(OC)cc(OC)c2O)CC1 ZINC001237671131 819803661 /nfs/dbraw/zinc/80/36/61/819803661.db2.gz YPDAPZMWDFIUNI-UHFFFAOYSA-N 1 0 279.380 3.031 20 10 CGCDRO Cc1cc(O)c(C[NH+]2CCCC2)cc1Br ZINC001237677484 819804450 /nfs/dbraw/zinc/80/44/50/819804450.db2.gz NWENZTYXBAUGDK-UHFFFAOYSA-N 1 0 270.170 3.059 20 10 CGCDRO COC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(C)c1O ZINC001237682158 819805614 /nfs/dbraw/zinc/80/56/14/819805614.db2.gz ZRJVFFZXGVYRGS-AWEZNQCLSA-N 1 0 283.799 3.355 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+]2CCC3(CC3)C2)c1O ZINC001237680448 819807308 /nfs/dbraw/zinc/80/73/08/819807308.db2.gz SHRMWMGIFHGECV-UHFFFAOYSA-N 1 0 251.757 3.340 20 10 CGCDRO [O-]c1cc(Cl)c(F)cc1C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC001237933634 819883586 /nfs/dbraw/zinc/88/35/86/819883586.db2.gz FHDODKNBKUJDSX-OAHLLOKOSA-N 1 0 299.773 3.187 20 10 CGCDRO Cc1cc(F)cc(CN2CCCC(F)(F)[C@@H](F)C2)c1O ZINC001238061271 819920332 /nfs/dbraw/zinc/92/03/32/819920332.db2.gz LBJCYJKNFOVNAJ-LBPRGKRZSA-N 1 0 291.288 3.409 20 10 CGCDRO Cc1cc(F)cc(C[N@@H+]2CCC[C@@](C)(F)C2)c1O ZINC001238059505 819920421 /nfs/dbraw/zinc/92/04/21/819920421.db2.gz DGOVOSCATNLOPE-CQSZACIVSA-N 1 0 255.308 3.164 20 10 CGCDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)[C@H](CO)C(C)(C)C ZINC001341569693 936442572 /nfs/dbraw/zinc/44/25/72/936442572.db2.gz TVUDCDSFNCQYJM-QGZVFWFLSA-N 1 0 290.451 3.126 20 10 CGCDRO CC1(C)CC[C@@H](C[NH2+]Cc2ccc(Cl)cc2O)O1 ZINC001474460944 937860812 /nfs/dbraw/zinc/86/08/12/937860812.db2.gz JLDDILWCHOCJBR-LBPRGKRZSA-N 1 0 269.772 3.093 20 10 CGCDRO CO[C@H]1CC[C@@H]([NH2+]Cc2c(O)cc(C)cc2Cl)C1 ZINC001345153691 936803934 /nfs/dbraw/zinc/80/39/34/936803934.db2.gz DQNCKUFMIMWRLG-MNOVXSKESA-N 1 0 269.772 3.011 20 10 CGCDRO CC[C@@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)[C@@H](C)CO1 ZINC001349536130 936951438 /nfs/dbraw/zinc/95/14/38/936951438.db2.gz UQGLPTGBXBRNTG-MAUKXSAKSA-N 1 0 288.435 3.286 20 10 CGCDRO Cc1cc(C[NH2+]Cc2ccc(N(C)C)cc2C)cnc1F ZINC001352749413 937047995 /nfs/dbraw/zinc/04/79/95/937047995.db2.gz HMNACURTEWQESK-UHFFFAOYSA-N 1 0 287.382 3.193 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C/C(Cl)=C\Cl)c1 ZINC000588382541 926730763 /nfs/dbraw/zinc/73/07/63/926730763.db2.gz WUJTZGDGKFMMKF-CYXIBPNKSA-N 1 0 276.163 3.370 20 10 CGCDRO C[N@H+](CCCOCc1ccccc1)Cc1ccccc1O ZINC000182520817 926923323 /nfs/dbraw/zinc/92/33/23/926923323.db2.gz RVAFLBGVGQADIW-UHFFFAOYSA-N 1 0 285.387 3.431 20 10 CGCDRO Cc1csc([C@@H](C)[NH2+]Cc2c(C)cccc2O)n1 ZINC001355244667 937131458 /nfs/dbraw/zinc/13/14/58/937131458.db2.gz SYUDAPHNEPKSAK-LLVKDONJSA-N 1 0 262.378 3.316 20 10 CGCDRO Cc1ccccc1C1([NH2+]Cc2ccc(N)cc2)CC1 ZINC001356083059 937152635 /nfs/dbraw/zinc/15/26/35/937152635.db2.gz IYYXYOVVQVTFQF-UHFFFAOYSA-N 1 0 252.361 3.356 20 10 CGCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@H](N3CCCCC3)C2)c1O ZINC001140178948 931957386 /nfs/dbraw/zinc/95/73/86/931957386.db2.gz DMEUEBRTGIRZAW-INIZCTEOSA-N 1 0 288.435 3.069 20 10 CGCDRO CC(C)[C@@H](CO)[C@H]([NH2+]Cc1c(O)cccc1Cl)C(C)C ZINC001461518343 937584193 /nfs/dbraw/zinc/58/41/93/937584193.db2.gz BYLCVUJISBKFMV-CZUORRHYSA-N 1 0 299.842 3.424 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2CC[C@@H](C)O2)cc1F ZINC001461546630 937585292 /nfs/dbraw/zinc/58/52/92/937585292.db2.gz AFTZOGRGADGUNF-HIFRSBDPSA-N 1 0 294.414 3.329 20 10 CGCDRO Cc1c2ccccc2n(C)c1C[NH2+]CCOCC1CCC1 ZINC001461590350 937587533 /nfs/dbraw/zinc/58/75/33/937587533.db2.gz PRAMBBMMZNZUGX-UHFFFAOYSA-N 1 0 286.419 3.393 20 10 CGCDRO Cc1c2ccccc2n(C)c1C[NH2+]CC1(C2(O)CCC2)CC1 ZINC001461788641 937597335 /nfs/dbraw/zinc/59/73/35/937597335.db2.gz VKFIKFGUFORUCN-UHFFFAOYSA-N 1 0 298.430 3.272 20 10 CGCDRO CCCN(CC)C[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1C ZINC001462289968 937630349 /nfs/dbraw/zinc/63/03/49/937630349.db2.gz CGHHDOMECSYHHP-MRXNPFEDSA-N 1 0 291.483 3.271 20 10 CGCDRO CCC[N@H+](Cc1cc(C)cc(OC)c1O)C(C)C ZINC001462388656 937637391 /nfs/dbraw/zinc/63/73/91/937637391.db2.gz UGJAPDOYPFVNTE-UHFFFAOYSA-N 1 0 251.370 3.330 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+][C@@H]2CCCn3nccc32)c1 ZINC001462526643 937647728 /nfs/dbraw/zinc/64/77/28/937647728.db2.gz IRXKDFAKJCLTEX-OAHLLOKOSA-N 1 0 285.391 3.337 20 10 CGCDRO CC(C)[C@@H]1OCCC[C@@H]1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC001308293969 933089238 /nfs/dbraw/zinc/08/92/38/933089238.db2.gz YECHZUMKVURRGR-AEFFLSMTSA-N 1 0 289.419 3.162 20 10 CGCDRO COc1ccc(C[NH2+]CCc2cnc(C)s2)cc1C ZINC001308340287 933097710 /nfs/dbraw/zinc/09/77/10/933097710.db2.gz WHLLSYDCJKSURL-UHFFFAOYSA-N 1 0 276.405 3.101 20 10 CGCDRO c1cc2c(cc1C[NH2+][C@@]13C[C@@H]1CCCC3)CCCO2 ZINC001308489054 933119002 /nfs/dbraw/zinc/11/90/02/933119002.db2.gz MYYGMUQIJVEQAD-RDJZCZTQSA-N 1 0 257.377 3.434 20 10 CGCDRO CCC[N@H+](Cc1cc(C(C)C)ccc1O)CC(C)(C)O ZINC001308614132 933143014 /nfs/dbraw/zinc/14/30/14/933143014.db2.gz VNLHEJBSTYHXJM-UHFFFAOYSA-N 1 0 279.424 3.499 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+][C@@H](C)[C@H]2CCCOC2)c1 ZINC001308634390 933146905 /nfs/dbraw/zinc/14/69/05/933146905.db2.gz FPISCDPZLBFCPH-ZFWWWQNUSA-N 1 0 277.408 3.420 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+]Cc2ccc(CO)cc2)c1 ZINC001308832415 933185630 /nfs/dbraw/zinc/18/56/30/933185630.db2.gz KPJCHDJIOJACSD-UHFFFAOYSA-N 1 0 285.387 3.298 20 10 CGCDRO C[C@]1(C2CC2)CN(Cc2ccc(Cl)cc2O)CCO1 ZINC001308858374 933191519 /nfs/dbraw/zinc/19/15/19/933191519.db2.gz UVKUXSBQEKGZBF-OAHLLOKOSA-N 1 0 281.783 3.047 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH+]2CC(CC3CC3)C2)cc1 ZINC001308878615 933195141 /nfs/dbraw/zinc/19/51/41/933195141.db2.gz RABWTHVMWJIEIQ-ARJAWSKDSA-N 1 0 270.420 3.498 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@H](C)CC2CCC2)c1O ZINC001308887726 933197557 /nfs/dbraw/zinc/19/75/57/933197557.db2.gz XTFRPFZXJRUDOS-GFCCVEGCSA-N 1 0 263.381 3.378 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H](C)CC(=O)OC(C)(C)C)cc1C ZINC001319951317 933964946 /nfs/dbraw/zinc/96/49/46/933964946.db2.gz KWYHIUAXUDPCFJ-CYBMUJFWSA-N 1 0 293.407 3.219 20 10 CGCDRO Oc1ccc(-c2ccccc2)cc1C[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC001320485533 934053631 /nfs/dbraw/zinc/05/36/31/934053631.db2.gz GHGCPNKPMFJJSW-GOSISDBHSA-N 1 0 295.382 3.016 20 10 CGCDRO Cc1c([C@H](C)[NH2+]C/C=C/c2ccc(N(C)C)cc2)cnn1C ZINC001324610653 934533161 /nfs/dbraw/zinc/53/31/61/934533161.db2.gz PQSWVPBVKBMVHG-UZYOAWRESA-N 1 0 298.434 3.159 20 10 CGCDRO COCCC1(C)C[NH+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001324746998 934562261 /nfs/dbraw/zinc/56/22/61/934562261.db2.gz JBUOZCNIVDMPQM-UHFFFAOYSA-N 1 0 288.435 3.145 20 10 CGCDRO Oc1c(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)ccc2ccccc21 ZINC001325011506 934881922 /nfs/dbraw/zinc/88/19/22/934881922.db2.gz RSFFGJBZCWRLJJ-MVVMVCHASA-N 1 0 297.398 3.138 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+]CCC2CCOCC2)cc1 ZINC001325575230 934919209 /nfs/dbraw/zinc/91/92/09/934919209.db2.gz WNIDGOYIFIPASV-ONEGZZNKSA-N 1 0 288.435 3.172 20 10 CGCDRO C[NH2+][C@H](C)CC[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC001326473699 934982382 /nfs/dbraw/zinc/98/23/82/934982382.db2.gz NVKQAWVPAPCHRG-BDAKNGLRSA-N 1 0 291.222 3.348 20 10 CGCDRO CN(C)c1cc(F)c(C[NH2+][C@H]2CCC[C@H](F)C2)cc1F ZINC001329157877 935191187 /nfs/dbraw/zinc/19/11/87/935191187.db2.gz APROPDAPCCZSFE-RYUDHWBXSA-N 1 0 286.341 3.401 20 10 CGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H](CF)C1)CCC2 ZINC001331478784 935383640 /nfs/dbraw/zinc/38/36/40/935383640.db2.gz SVPDIXWZFCJUQM-LBPRGKRZSA-N 1 0 263.356 3.062 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@H](CF)C2)c1 ZINC001331479449 935384211 /nfs/dbraw/zinc/38/42/11/935384211.db2.gz ZVJKRBGJHIZMMN-CYBMUJFWSA-N 1 0 251.345 3.191 20 10 CGCDRO CCCO[C@H]1CCC[N@H+](Cc2ccc(N)cc2)CC1 ZINC001335286397 936137042 /nfs/dbraw/zinc/13/70/42/936137042.db2.gz YPBRHRUUHHXLQV-INIZCTEOSA-N 1 0 262.397 3.050 20 10 CGCDRO [NH3+]Cc1ccccc1NCc1ccc(N2CCCC2)cc1 ZINC001335287780 936137195 /nfs/dbraw/zinc/13/71/95/936137195.db2.gz BCTNYBZFUFXTRM-UHFFFAOYSA-N 1 0 281.403 3.358 20 10 CGCDRO CC[N@@H+](Cc1ccc(N)cc1)C[C@@H](O)c1ccc(C)cc1 ZINC001336116591 936176013 /nfs/dbraw/zinc/17/60/13/936176013.db2.gz GQTJAMLXGJRGGA-GOSISDBHSA-N 1 0 284.403 3.133 20 10 CGCDRO Cc1cc(F)cc2c1C[N@H+](Cc1ccc(N)cc1)CC2 ZINC001336285212 936186325 /nfs/dbraw/zinc/18/63/25/936186325.db2.gz JEZRLGGDYWDHNL-UHFFFAOYSA-N 1 0 270.351 3.275 20 10 CGCDRO C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H](C)c1cc(F)ccc1O ZINC001337800259 936290044 /nfs/dbraw/zinc/29/00/44/936290044.db2.gz MKBIVROGZREWGI-GHMZBOCLSA-N 1 0 297.370 3.302 20 10 CGCDRO c1cc2cnccc2c(C[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC001473970287 937833294 /nfs/dbraw/zinc/83/32/94/937833294.db2.gz NJYKHCBSEAWQEQ-UHFFFAOYSA-N 1 0 290.366 3.460 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cc(C(C)C)ccc1O)[C@H](O)C(F)F ZINC001474553713 937866694 /nfs/dbraw/zinc/86/66/94/937866694.db2.gz UNEKUNBVNKHBHQ-OCCSQVGLSA-N 1 0 287.350 3.010 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1CCC(C)(C)CO1 ZINC001474683938 937874932 /nfs/dbraw/zinc/87/49/32/937874932.db2.gz CBBNHAXKCHDKAN-KRWDZBQOSA-N 1 0 290.451 3.356 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@H](C)N2CCCCC2)c(Cl)c1 ZINC001560284174 938250940 /nfs/dbraw/zinc/25/09/40/938250940.db2.gz HJDBJIHHHXWSCI-ZDUSSCGKSA-N 1 0 296.842 3.318 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(Cl)cc1O)[C@H](O)c1ccccc1 ZINC001560868728 938280812 /nfs/dbraw/zinc/28/08/12/938280812.db2.gz MKSUEVLUKQUMEV-ZBEGNZNMSA-N 1 0 291.778 3.257 20 10 CGCDRO CCc1cccc(C[N@@H+]2CC[C@H]3[C@@H](C2)C3(F)F)c1O ZINC001560877660 938281472 /nfs/dbraw/zinc/28/14/72/938281472.db2.gz ZNHBHBVDBPAKDQ-QWHCGFSZSA-N 1 0 267.319 3.042 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH+]2CCC([C@@H](C)CO)CC2)c1 ZINC001560920656 938283844 /nfs/dbraw/zinc/28/38/44/938283844.db2.gz LCOQIWXDYYETBE-AWEZNQCLSA-N 1 0 291.435 3.356 20 10 CGCDRO CCC1(CC)CN(C(=O)C2=CC[C@H]([NH3+])C2)c2ccccc21 ZINC001577217732 962518085 /nfs/dbraw/zinc/51/80/85/962518085.db2.gz NHCUTSFSPPUJMC-AWEZNQCLSA-N 1 0 284.403 3.139 20 10 CGCDRO Nc1ccc(CC[NH2+]Cc2cccc3ncccc23)cc1 ZINC001580443506 962723836 /nfs/dbraw/zinc/72/38/36/962723836.db2.gz MESHJZSFTIHKOO-UHFFFAOYSA-N 1 0 277.371 3.149 20 10 CGCDRO CCC[N@H+](CCn1nc(C)cc1C)Cc1ccccc1O ZINC000068819714 345365160 /nfs/dbraw/zinc/36/51/60/345365160.db2.gz SHDIQEKGFAAGEX-UHFFFAOYSA-N 1 0 287.407 3.118 20 10 CGCDRO CC[C@H](C)C[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000093065037 345868406 /nfs/dbraw/zinc/86/84/06/345868406.db2.gz FQIHSODKJFJHHB-HNNXBMFYSA-N 1 0 290.451 3.031 20 10 CGCDRO C[C@@H]([NH2+]CCOCc1ccccc1)c1ccccc1O ZINC000183541696 346257423 /nfs/dbraw/zinc/25/74/23/346257423.db2.gz DSCMBZLOLUYKDO-CQSZACIVSA-N 1 0 271.360 3.260 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]CC[C@H]1CCCS1 ZINC000715666089 800141714 /nfs/dbraw/zinc/14/17/14/800141714.db2.gz IHCLUQBDLGCWGY-SNVBAGLBSA-N 1 0 271.813 3.421 20 10 CGCDRO COc1cccc(C[NH2+][C@@H](C)c2ccccc2)c1O ZINC000019878321 368774501 /nfs/dbraw/zinc/77/45/01/368774501.db2.gz BMBGPGQJCYSEHF-LBPRGKRZSA-N 1 0 257.333 3.252 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCOC[C@@H]2C)c(O)c1 ZINC000287457525 371660696 /nfs/dbraw/zinc/66/06/96/371660696.db2.gz LSAODDLMRQKDSB-MELADBBJSA-N 1 0 263.381 3.024 20 10 CGCDRO CC[C@H]([NH2+]C[C@H]1CCOC[C@H]1C)c1ccccc1O ZINC000287621532 371682573 /nfs/dbraw/zinc/68/25/73/371682573.db2.gz SZGMCFUYZVCBCH-NFAWXSAZSA-N 1 0 263.381 3.106 20 10 CGCDRO COc1ccc2c(c1)C[C@@H]([NH2+]Cc1ccccc1O)CC2 ZINC000159555834 372155428 /nfs/dbraw/zinc/15/54/28/372155428.db2.gz ZRDDTNKGAFCOBB-INIZCTEOSA-N 1 0 283.371 3.048 20 10 CGCDRO CCc1nc(C)c(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)o1 ZINC000291962639 372179228 /nfs/dbraw/zinc/17/92/28/372179228.db2.gz SDAOQVAUTWOTBM-GFCCVEGCSA-N 1 0 287.407 3.462 20 10 CGCDRO C[C@@H]([NH2+]C[C@H](CO)C1CCCCC1)c1ccccc1O ZINC000293777125 372479802 /nfs/dbraw/zinc/47/98/02/372479802.db2.gz SPPNPWLUWMJVSY-UKRRQHHQSA-N 1 0 277.408 3.232 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2CCOC[C@@H]2C)c(O)c1 ZINC000294101753 372581208 /nfs/dbraw/zinc/58/12/08/372581208.db2.gz JLLZXNVQAOHVHL-SOUVJXGZSA-N 1 0 277.408 3.332 20 10 CGCDRO Cc1cc(C)n(CCC[NH2+][C@H](C)c2cc(F)ccc2O)n1 ZINC000168736297 372616723 /nfs/dbraw/zinc/61/67/23/372616723.db2.gz CMLSLDAAPHTMAL-CYBMUJFWSA-N 1 0 291.370 3.086 20 10 CGCDRO CSC1(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000294818125 372672514 /nfs/dbraw/zinc/67/25/14/372672514.db2.gz XHQGURSQIICIFB-UHFFFAOYSA-N 1 0 275.776 3.170 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+][C@H]2CCOC2(C)C)c1O ZINC000294923917 372679811 /nfs/dbraw/zinc/67/98/11/372679811.db2.gz YZAUHRIORUCDBA-LBPRGKRZSA-N 1 0 269.772 3.011 20 10 CGCDRO CCCOc1ccc(C[NH+]2CCC(CF)CC2)c(O)c1 ZINC000295086255 372691536 /nfs/dbraw/zinc/69/15/36/372691536.db2.gz QZORKWYRLQMXQD-UHFFFAOYSA-N 1 0 281.371 3.363 20 10 CGCDRO Cc1cc(O)c(C[NH2+]Cc2cc(F)cnc2Cl)cc1C ZINC000295122875 372694567 /nfs/dbraw/zinc/69/45/67/372694567.db2.gz NOANKMVABYVZSX-UHFFFAOYSA-N 1 0 294.757 3.486 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CCC[C@@](C)(F)C2)c1O ZINC000295585706 372837012 /nfs/dbraw/zinc/83/70/12/372837012.db2.gz BTVGLWUHKNWYPU-OAHLLOKOSA-N 1 0 267.344 3.115 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H](C)CCCO)c1ccc(C)cc1O ZINC000295839855 372929438 /nfs/dbraw/zinc/92/94/38/372929438.db2.gz AKFVLNPNOZTTPI-DZGCQCFKSA-N 1 0 265.397 3.150 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCc3cccc(O)c32)cc1 ZINC000296135496 373031593 /nfs/dbraw/zinc/03/15/93/373031593.db2.gz VYRWDZXGPPHYIO-INIZCTEOSA-N 1 0 282.387 3.235 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]CC2(OC)CCCC2)c1O ZINC000296181829 373047613 /nfs/dbraw/zinc/04/76/13/373047613.db2.gz XTWKVGXWKZQDGJ-UHFFFAOYSA-N 1 0 299.798 3.103 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CCOC1(C)C)c1cc(Cl)ccc1O ZINC000296506474 373157537 /nfs/dbraw/zinc/15/75/37/373157537.db2.gz PIJMLPNTONUBEH-RNCFNFMXSA-N 1 0 269.772 3.264 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCC(C)(C)CO)cc1 ZINC000296404622 373121843 /nfs/dbraw/zinc/12/18/43/373121843.db2.gz KRELBGNPWUTEGU-CQSZACIVSA-N 1 0 278.440 3.202 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](C)CCCO)c(O)c1C ZINC000296462322 373143208 /nfs/dbraw/zinc/14/32/08/373143208.db2.gz NIHPMMAQFIIFNO-FZMZJTMJSA-N 1 0 265.397 3.068 20 10 CGCDRO CC[C@H]([NH2+]Cc1nccn1CC)c1ccc(C)cc1O ZINC000296652677 373209588 /nfs/dbraw/zinc/20/95/88/373209588.db2.gz YZWDDHSVFBXKCF-AWEZNQCLSA-N 1 0 273.380 3.158 20 10 CGCDRO C[C@@H](Cc1ccc(O)cc1)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297637316 373276548 /nfs/dbraw/zinc/27/65/48/373276548.db2.gz JOMICNUGNQIRLX-LRDDRELGSA-N 1 0 283.371 3.306 20 10 CGCDRO COC1(C[NH2+][C@@H](C)c2cc(C)ccc2O)CCCC1 ZINC000297227221 373260842 /nfs/dbraw/zinc/26/08/42/373260842.db2.gz HNUQFPGZPBHOOR-ZDUSSCGKSA-N 1 0 263.381 3.310 20 10 CGCDRO CC(F)(F)CCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297248918 373263512 /nfs/dbraw/zinc/26/35/12/373263512.db2.gz JCUVTOVMLQDDLX-LLVKDONJSA-N 1 0 255.308 3.405 20 10 CGCDRO Cc1ccn2cc(C[NH2+][C@H]3CCc4cccc(O)c43)nc2c1 ZINC000297803812 373281693 /nfs/dbraw/zinc/28/16/93/373281693.db2.gz QNTBABBILYYOBK-HNNXBMFYSA-N 1 0 293.370 3.125 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]Cc1ccc(F)cc1F)CC2 ZINC000297951291 373285527 /nfs/dbraw/zinc/28/55/27/373285527.db2.gz YSPFXHYCPJVMQL-AWEZNQCLSA-N 1 0 275.298 3.448 20 10 CGCDRO CN(c1ccccc1)C1CC[NH+](Cc2ccccc2O)CC1 ZINC000179585644 373890755 /nfs/dbraw/zinc/89/07/55/373890755.db2.gz IHKORHODRNOLAO-UHFFFAOYSA-N 1 0 296.414 3.493 20 10 CGCDRO COc1cc(O)c(C[N@H+](C)[C@H](C)c2ccco2)cc1OC ZINC000179682668 373905697 /nfs/dbraw/zinc/90/56/97/373905697.db2.gz FLWDBZPHWSCKJB-LLVKDONJSA-N 1 0 291.347 3.195 20 10 CGCDRO Cc1cccc(CN2CCC[N@@H+](C3CCCC3)CC2)c1O ZINC000179936335 373942300 /nfs/dbraw/zinc/94/23/00/373942300.db2.gz YHLJCTHGTSDCLV-UHFFFAOYSA-N 1 0 288.435 3.151 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]C1(c2ccccc2F)CC1 ZINC000180773572 374044516 /nfs/dbraw/zinc/04/45/16/374044516.db2.gz LWXVPBAKVZIANL-UHFFFAOYSA-N 1 0 275.298 3.449 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H]2CCOC3(CCCC3)C2)c1O ZINC000182623130 374300315 /nfs/dbraw/zinc/30/03/15/374300315.db2.gz CBBLQXOYNZVDCE-OAHLLOKOSA-N 1 0 275.392 3.282 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)c1ccccc1O ZINC000183622100 374434057 /nfs/dbraw/zinc/43/40/57/374434057.db2.gz FUSPAUQZVVUQBV-WOSRLPQWSA-N 1 0 293.432 3.098 20 10 CGCDRO C[C@@H]([NH2+]CCN(C)Cc1ccccc1)c1ccccc1O ZINC000183440480 374414076 /nfs/dbraw/zinc/41/40/76/374414076.db2.gz IVJLALMXZARWIR-OAHLLOKOSA-N 1 0 284.403 3.175 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)OCCCO2)c1ccccc1O ZINC000183486236 374417865 /nfs/dbraw/zinc/41/78/65/374417865.db2.gz DNXZCNIRQWUUMY-ZDUSSCGKSA-N 1 0 299.370 3.404 20 10 CGCDRO CO[C@@H](C[NH2+][C@H](C)c1ccccc1O)C(C)(C)C ZINC000183539414 374424745 /nfs/dbraw/zinc/42/47/45/374424745.db2.gz CYRGPGCDRCDXMP-RISCZKNCSA-N 1 0 251.370 3.104 20 10 CGCDRO C[C@@H]([NH2+]CC1(CCO)CCCCC1)c1ccccc1O ZINC000183548274 374426145 /nfs/dbraw/zinc/42/61/45/374426145.db2.gz SHQZRAHTQDOMQK-CQSZACIVSA-N 1 0 277.408 3.376 20 10 CGCDRO CCO[C@@H](CC[NH2+][C@H](C)c1ccccc1O)C(C)C ZINC000183540455 374426851 /nfs/dbraw/zinc/42/68/51/374426851.db2.gz BSUWINAIPZJIMR-CJNGLKHVSA-N 1 0 265.397 3.494 20 10 CGCDRO CCOc1cccc(C[N@H+](C)[C@H](C)c2ccncc2)c1O ZINC000183710862 374443863 /nfs/dbraw/zinc/44/38/63/374443863.db2.gz XRCLKRKSKOVNRW-CYBMUJFWSA-N 1 0 286.375 3.379 20 10 CGCDRO C[C@@H]([NH2+]C[C@H](O)c1ccccc1)c1cc(Cl)ccc1O ZINC000184854983 374563974 /nfs/dbraw/zinc/56/39/74/374563974.db2.gz OPOGNFCHJOVNBU-BZNIZROVSA-N 1 0 291.778 3.430 20 10 CGCDRO C[C@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1cc(Cl)ccc1O ZINC000185735906 374726170 /nfs/dbraw/zinc/72/61/70/374726170.db2.gz TYJNAWBAKQIIEK-GMXVVIOVSA-N 1 0 283.799 3.247 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2CCO)cc1 ZINC000188019622 375142672 /nfs/dbraw/zinc/14/26/72/375142672.db2.gz RFEUBIFONWOGAD-YXJHDRRASA-N 1 0 290.451 3.344 20 10 CGCDRO CCOc1cccc(C[NH2+]CCC2CC(OCC)C2)c1O ZINC000188786415 375268274 /nfs/dbraw/zinc/26/82/74/375268274.db2.gz UVPGBGBFHHPSDU-UHFFFAOYSA-N 1 0 293.407 3.086 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]CCC2CC(OCC)C2)c1 ZINC000188781763 375268365 /nfs/dbraw/zinc/26/83/65/375268365.db2.gz HFGUHNLMBHHKQJ-UHFFFAOYSA-N 1 0 293.407 3.086 20 10 CGCDRO COCCC1CC[NH+](Cc2cc(C)c(C)cc2O)CC1 ZINC000529637630 375931762 /nfs/dbraw/zinc/93/17/62/375931762.db2.gz HVGDOQKPEUJVBA-UHFFFAOYSA-N 1 0 277.408 3.258 20 10 CGCDRO CC[C@H]([NH2+]C[C@H](C)C[C@H](C)O)c1ccc(N(C)C)cc1 ZINC000269067430 522625086 /nfs/dbraw/zinc/62/50/86/522625086.db2.gz VYSVFNTVAIIIER-KEYYUXOJSA-N 1 0 278.440 3.200 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)cc1C ZINC000246234324 376993658 /nfs/dbraw/zinc/99/36/58/376993658.db2.gz FPLKFNCBIYHWJN-WMLDXEAASA-N 1 0 275.392 3.010 20 10 CGCDRO Cc1cnc(CC[N@@H+](C)Cc2c(O)cccc2Cl)s1 ZINC000271174201 378470376 /nfs/dbraw/zinc/47/03/76/378470376.db2.gz GFFDAORBKNQSNZ-UHFFFAOYSA-N 1 0 296.823 3.485 20 10 CGCDRO Cc1cc(C[NH2+][C@H](C)c2cccnc2)ccc1N(C)C ZINC000271511618 378494849 /nfs/dbraw/zinc/49/48/49/378494849.db2.gz ORBGQDJHMFFYQS-CQSZACIVSA-N 1 0 269.392 3.307 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](O)c1ccccc1F)c1ccccc1O ZINC000271657362 378500309 /nfs/dbraw/zinc/50/03/09/378500309.db2.gz CONMPQFKBQPUFB-DOTOQJQBSA-N 1 0 289.350 3.306 20 10 CGCDRO COCC[C@H]([NH2+]Cc1cc(C)ccc1O)c1ccc(C)o1 ZINC000272213011 378586138 /nfs/dbraw/zinc/58/61/38/378586138.db2.gz CSHSIAQHBOBKMT-HNNXBMFYSA-N 1 0 289.375 3.469 20 10 CGCDRO COCC[C@H]([NH2+]Cc1cc(C)c(C)cc1O)c1ccco1 ZINC000272612218 378676059 /nfs/dbraw/zinc/67/60/59/378676059.db2.gz UXXYVXHMYRHYHM-HNNXBMFYSA-N 1 0 289.375 3.469 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1CCCCO1)c1cc(Cl)ccc1O ZINC000273403498 378744044 /nfs/dbraw/zinc/74/40/44/378744044.db2.gz NSTJRYGKSIBKCE-ZYHUDNBSSA-N 1 0 269.772 3.265 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCCCO2)c(O)c1 ZINC000273467838 378748471 /nfs/dbraw/zinc/74/84/71/378748471.db2.gz JGBBPFXIJGADMZ-HEHGZKQESA-N 1 0 263.381 3.309 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCOC3(CCC3)C2)c1 ZINC000273530902 378751803 /nfs/dbraw/zinc/75/18/03/378751803.db2.gz WHPAQLBVUGHCKZ-KGLIPLIRSA-N 1 0 275.392 3.453 20 10 CGCDRO Cc1ccc([C@@H](O)C[NH2+][C@H](C)c2ccc(C)c(C)c2O)o1 ZINC000273567970 378754530 /nfs/dbraw/zinc/75/45/30/378754530.db2.gz JZQONGSEASMGFO-HIFRSBDPSA-N 1 0 289.375 3.295 20 10 CGCDRO Cc1ccc([C@@H](O)C[NH2+][C@H](C)c2cc(Cl)ccc2O)o1 ZINC000273592911 378756015 /nfs/dbraw/zinc/75/60/15/378756015.db2.gz PSJUTNCPQUUIKW-YGRLFVJLSA-N 1 0 295.766 3.331 20 10 CGCDRO CO[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1cc(F)ccc1O ZINC000273608459 378756452 /nfs/dbraw/zinc/75/64/52/378756452.db2.gz UXAXPXPQDIYTOB-RIEGTJTDSA-N 1 0 267.344 3.140 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H](C)COCC(F)(F)F)c(O)c1 ZINC000273595068 378756714 /nfs/dbraw/zinc/75/67/14/378756714.db2.gz QFJYPDOOKMHMID-MNOVXSKESA-N 1 0 291.313 3.319 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+][C@@H]1CCO[C@@H](C2CC2)C1 ZINC000274035263 378766653 /nfs/dbraw/zinc/76/66/53/378766653.db2.gz BWYHDICNUNRJPR-IAQYHMDHSA-N 1 0 281.783 3.093 20 10 CGCDRO Cc1nnc([C@H](C)[NH2+][C@@H](C)c2ccc(C)cc2O)s1 ZINC000274122030 378780221 /nfs/dbraw/zinc/78/02/21/378780221.db2.gz AUEXTJBDHWPSKA-UWVGGRQHSA-N 1 0 277.393 3.272 20 10 CGCDRO Cc1nn(C(C)C)cc1C[N@H+](C)Cc1ccccc1O ZINC000281625348 379841079 /nfs/dbraw/zinc/84/10/79/379841079.db2.gz NXOYGXZHUIWKJR-UHFFFAOYSA-N 1 0 273.380 3.110 20 10 CGCDRO CC[C@@H]([NH2+]CC1([S@@](C)=O)CCC1)c1ccc(C)cc1O ZINC000281137329 379819604 /nfs/dbraw/zinc/81/96/04/379819604.db2.gz UHVJVYFQTMFCFH-JLTOFOAXSA-N 1 0 295.448 3.043 20 10 CGCDRO COCC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000282275973 379887054 /nfs/dbraw/zinc/88/70/54/379887054.db2.gz RLUPMSGJIZSZCS-NVXWUHKLSA-N 1 0 276.424 3.047 20 10 CGCDRO CCCC[N@H+](Cc1c[nH]nc1C)Cc1ccccc1O ZINC000283032936 380025332 /nfs/dbraw/zinc/02/53/32/380025332.db2.gz NIWWFELYIBTVRF-UHFFFAOYSA-N 1 0 273.380 3.226 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@H]2CN(C3CC3)C[C@@H]2C)c(O)c1 ZINC000283973559 380110794 /nfs/dbraw/zinc/11/07/94/380110794.db2.gz GPXPGYCCYUJEMI-DZKIICNBSA-N 1 0 288.435 3.142 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCCC(C)(C)CO)c(O)c1 ZINC000284074124 380122181 /nfs/dbraw/zinc/12/21/81/380122181.db2.gz LLUDPIGEECNZKY-CQSZACIVSA-N 1 0 279.424 3.458 20 10 CGCDRO CCC[N@@H+](Cc1ccccc1O)CC1CC(OCC)C1 ZINC000286238380 380180392 /nfs/dbraw/zinc/18/03/92/380180392.db2.gz CGYPSQFXAMTBJY-UHFFFAOYSA-N 1 0 277.408 3.419 20 10 CGCDRO COc1cc(Cl)cc(C[N@H+](C)[C@@H](C)C2CC2)c1O ZINC000184680120 262025839 /nfs/dbraw/zinc/02/58/39/262025839.db2.gz LBNLPOOWUWWHCR-VIFPVBQESA-N 1 0 269.772 3.285 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCc3nc(C)ncc3C2)c(O)c1 ZINC000363864726 382258557 /nfs/dbraw/zinc/25/85/57/382258557.db2.gz MLNZTVCCDXEPOK-DOMZBBRYSA-N 1 0 297.402 3.007 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCc3cn[nH]c32)c(O)c1C ZINC000363865389 382259410 /nfs/dbraw/zinc/25/94/10/382259410.db2.gz NDIWTQCLLHPRQC-SWLSCSKDSA-N 1 0 285.391 3.460 20 10 CGCDRO CCOc1ccc(O)c(C[NH+]2C[C@H]3CCC[C@@H]3C2)c1 ZINC000093443459 392238053 /nfs/dbraw/zinc/23/80/53/392238053.db2.gz GPXFRYOXSXHLMZ-CHWSQXEVSA-N 1 0 261.365 3.023 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@H](C)CC(C)(C)OC)c1 ZINC000174552273 392643330 /nfs/dbraw/zinc/64/33/30/392643330.db2.gz IREBISZUJOASEJ-GFCCVEGCSA-N 1 0 281.396 3.084 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@@H](C)CC(C)(C)OC)c(O)c1 ZINC000174556725 392643381 /nfs/dbraw/zinc/64/33/81/392643381.db2.gz LPEMLAZWFNMBLE-ZDUSSCGKSA-N 1 0 295.423 3.474 20 10 CGCDRO COc1cc(O)c(C[N@H+](CC(C)C)C2CC2)cc1OC ZINC000179437120 392702660 /nfs/dbraw/zinc/70/26/60/392702660.db2.gz SSFGGFLNVSHZQN-UHFFFAOYSA-N 1 0 279.380 3.030 20 10 CGCDRO COc1ccc([C@H]2CC[N@H+](Cc3ccccc3O)C2)cc1 ZINC000179566810 392704659 /nfs/dbraw/zinc/70/46/59/392704659.db2.gz CUFPYTCRXQGXCK-HNNXBMFYSA-N 1 0 283.371 3.390 20 10 CGCDRO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000193457039 392877430 /nfs/dbraw/zinc/87/74/30/392877430.db2.gz UATFGYMOLYXCJV-QGZVFWFLSA-N 1 0 298.434 3.430 20 10 CGCDRO C[C@@H](C[NH2+]Cc1c(O)cccc1Cl)c1nccs1 ZINC000230693343 393025353 /nfs/dbraw/zinc/02/53/53/393025353.db2.gz VTEOCMVXXYHVAV-VIFPVBQESA-N 1 0 282.796 3.395 20 10 CGCDRO CC[C@@H]([NH2+][C@H](C)Cn1ccnc1)c1ccc(C)cc1O ZINC000280075730 393338783 /nfs/dbraw/zinc/33/87/83/393338783.db2.gz LJYDGWJLKYHCHY-UKRRQHHQSA-N 1 0 273.380 3.027 20 10 CGCDRO CCO[C@@H](CC[NH2+][C@@H]1CCc2cccc(O)c21)C(C)C ZINC000297897791 286200422 /nfs/dbraw/zinc/20/04/22/286200422.db2.gz VWXNCKWBDFNINV-ZBFHGGJFSA-N 1 0 277.408 3.420 20 10 CGCDRO CCC[NH+](CCC)CCCC(=O)Nc1ccc(N)cc1 ZINC000022155508 171362357 /nfs/dbraw/zinc/36/23/57/171362357.db2.gz DXXHYNKLNANGRI-UHFFFAOYSA-N 1 0 277.412 3.110 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H](O)c1ccccc1)c1ccccc1O ZINC000035601244 172289709 /nfs/dbraw/zinc/28/97/09/172289709.db2.gz WLIYDZFQBWULKV-NVXWUHKLSA-N 1 0 271.360 3.167 20 10 CGCDRO CC[C@H](COC)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000079732939 260176708 /nfs/dbraw/zinc/17/67/08/260176708.db2.gz HMFAVRUVYKUVNR-MRXNPFEDSA-N 1 0 276.424 3.192 20 10 CGCDRO C[C@@H]([NH2+]Cc1cccc(N(C)C)c1)c1ccccc1O ZINC000154187003 261088387 /nfs/dbraw/zinc/08/83/87/261088387.db2.gz BXIMWFRAPDXMED-CYBMUJFWSA-N 1 0 270.376 3.309 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H](OC)C(C)(C)C)c1ccccc1O ZINC000156153206 261114986 /nfs/dbraw/zinc/11/49/86/261114986.db2.gz JTHXJZXDRLMVII-UKRRQHHQSA-N 1 0 265.397 3.494 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCO[C@H](C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000157843912 261154071 /nfs/dbraw/zinc/15/40/71/261154071.db2.gz OWKATSZWVAWCSD-OWQGQXMQSA-N 1 0 288.435 3.361 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccn(C)c2)cc1 ZINC000158477015 261165439 /nfs/dbraw/zinc/16/54/39/261165439.db2.gz SFRPKMOVQBNHTD-AWEZNQCLSA-N 1 0 271.408 3.332 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccn(C)c1)c1ccc(N(C)C)cc1 ZINC000158519717 261165972 /nfs/dbraw/zinc/16/59/72/261165972.db2.gz DLFKFCHUOPBCNE-KRWDZBQOSA-N 1 0 271.408 3.332 20 10 CGCDRO CC[N@H+](Cc1cc(OC)c(OC)cc1O)[C@H](C)C(C)C ZINC000159982872 261200952 /nfs/dbraw/zinc/20/09/52/261200952.db2.gz IGRFCAQFBNZOJR-GFCCVEGCSA-N 1 0 281.396 3.276 20 10 CGCDRO C[C@@H]([NH2+][C@H](CO)c1ccccc1)c1cc(Cl)ccc1O ZINC000169520484 261433764 /nfs/dbraw/zinc/43/37/64/261433764.db2.gz AOCYTOVTKNCQLT-IAQYHMDHSA-N 1 0 291.778 3.430 20 10 CGCDRO OC[C@H](C1CC1)[N@H+](Cc1ccccc1)Cc1ccccc1O ZINC000184788505 262029928 /nfs/dbraw/zinc/02/99/28/262029928.db2.gz FJODMKVDYCEKBS-GOSISDBHSA-N 1 0 297.398 3.165 20 10 CGCDRO Cc1ccc([C@@H](O)C[NH2+][C@@H](C)c2cc(C)ccc2O)cc1 ZINC000185098815 262041485 /nfs/dbraw/zinc/04/14/85/262041485.db2.gz CFYSPTHCKLJTSK-KSSFIOAISA-N 1 0 285.387 3.393 20 10 CGCDRO COCCCCC[NH2+][C@H](C)c1cc(C)ccc1O ZINC000185232910 262046812 /nfs/dbraw/zinc/04/68/12/262046812.db2.gz TWOJZDWZHZDHCM-CYBMUJFWSA-N 1 0 251.370 3.168 20 10 CGCDRO Cc1nn(C)cc1[C@H](C)[NH2+][C@H](C)c1cc(C)ccc1O ZINC000185349373 262051600 /nfs/dbraw/zinc/05/16/00/262051600.db2.gz WPVWMGDVUAQJDV-NEPJUHHUSA-N 1 0 273.380 3.154 20 10 CGCDRO C[C@H]([NH2+]C[C@](C)(O)c1cccs1)c1cc(F)ccc1O ZINC000185519629 262057887 /nfs/dbraw/zinc/05/78/87/262057887.db2.gz VLKFWXDTLZTNAX-BONVTDFDSA-N 1 0 295.379 3.151 20 10 CGCDRO C[C@@H](O)C[C@H](C)C[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000185520931 262058692 /nfs/dbraw/zinc/05/86/92/262058692.db2.gz FRQQFKSRFPOQJT-AXFHLTTASA-N 1 0 271.788 3.103 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](OC)C(C)(C)C)c1 ZINC000185617650 262062390 /nfs/dbraw/zinc/06/23/90/262062390.db2.gz BFLRDRNJLJGHQV-NHYWBVRUSA-N 1 0 281.396 3.113 20 10 CGCDRO C[C@@H]([NH2+]CCCc1ccccn1)c1cc(F)ccc1O ZINC000186141041 262081712 /nfs/dbraw/zinc/08/17/12/262081712.db2.gz NIQABFAZVVXULL-GFCCVEGCSA-N 1 0 274.339 3.210 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CC(C)(C)[C@@H](O)C(C)C)c(O)c1 ZINC000186174831 262082663 /nfs/dbraw/zinc/08/26/63/262082663.db2.gz FLXMHILLUZNYNV-BBRMVZONSA-N 1 0 279.424 3.394 20 10 CGCDRO CC1(C)[C@H]([NH2+]Cc2cc(Cl)ccc2O)[C@H]2CCCO[C@@H]21 ZINC000371798655 262157463 /nfs/dbraw/zinc/15/74/63/262157463.db2.gz CNYMNTFQZKTWLM-YUELXQCFSA-N 1 0 295.810 3.339 20 10 CGCDRO COc1ccc(C[NH2+]Cc2cc(F)ccc2OC)cc1C ZINC000275046224 263032431 /nfs/dbraw/zinc/03/24/31/263032431.db2.gz IXBSTQOYKZZXSJ-UHFFFAOYSA-N 1 0 289.350 3.441 20 10 CGCDRO CCn1ccnc1[C@H]1CCCC[N@@H+]1Cc1ccccc1O ZINC000281228445 263067315 /nfs/dbraw/zinc/06/73/15/263067315.db2.gz VNXDZURKQXBBBK-OAHLLOKOSA-N 1 0 285.391 3.336 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+][C@H]1CCOC3(CCCC3)C1)CC2 ZINC000296957166 263198673 /nfs/dbraw/zinc/19/86/73/263198673.db2.gz RAFUASSPCDIFMQ-LSDHHAIUSA-N 1 0 287.403 3.461 20 10 CGCDRO CCOC[C@@H]([NH2+][C@@H](CC)c1ccccc1O)C(C)C ZINC000189345759 264292147 /nfs/dbraw/zinc/29/21/47/264292147.db2.gz YAMYAUZDNOYZSW-LSDHHAIUSA-N 1 0 265.397 3.494 20 10 CGCDRO CCOC[C@@H]([NH2+][C@@H](C)c1cc(OC)ccc1O)C(C)C ZINC000189364190 264293574 /nfs/dbraw/zinc/29/35/74/264293574.db2.gz QSXPDGWBLGYLOS-SWLSCSKDSA-N 1 0 281.396 3.113 20 10 CGCDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1c(O)cccc1Cl ZINC000368043417 267141334 /nfs/dbraw/zinc/14/13/34/267141334.db2.gz PMAFSOSEYZTCNX-OLZOCXBDSA-N 1 0 294.826 3.104 20 10 CGCDRO CCc1noc(C)c1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297175192 276704516 /nfs/dbraw/zinc/70/45/16/276704516.db2.gz DQOZNFYLTOADBW-AWEZNQCLSA-N 1 0 272.348 3.028 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)[C@H](C)OC)c1ccc(N(C)C)cc1 ZINC000191641234 288060613 /nfs/dbraw/zinc/06/06/13/288060613.db2.gz ADTXNLHCMZMTBS-XEZPLFJOSA-N 1 0 264.413 3.217 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCCc2c1cnn2C)c1ccccc1O ZINC000037087290 280973688 /nfs/dbraw/zinc/97/36/88/280973688.db2.gz KNPBGZZQBPRDDH-GJZGRUSLSA-N 1 0 285.391 3.244 20 10 CGCDRO CC[C@@H]([NH2+]CCCCCOC)c1ccccc1O ZINC000183312869 327818858 /nfs/dbraw/zinc/81/88/58/327818858.db2.gz GMDPIEBWDCYXRY-CQSZACIVSA-N 1 0 251.370 3.250 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1CCCO1)c1cc2c(cc1O)CCCC2 ZINC000184851175 327834113 /nfs/dbraw/zinc/83/41/13/327834113.db2.gz HYBHJIHQTZCFCC-IUODEOHRSA-N 1 0 275.392 3.101 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](C)c1nnc(C)s1)c1ccccc1O ZINC000274793722 328010913 /nfs/dbraw/zinc/01/09/13/328010913.db2.gz SOXBSBKMEYFEHX-JOYOIKCWSA-N 1 0 277.393 3.354 20 10 CGCDRO CCOCC(C)(C)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000290154815 328097158 /nfs/dbraw/zinc/09/71/58/328097158.db2.gz CVEBSIZXDLQOSL-LBPRGKRZSA-N 1 0 281.396 3.114 20 10 CGCDRO C[C@@H]([NH2+]CC1(CO)CC2(CCC2)C1)c1cc(F)ccc1O ZINC000278955577 328232174 /nfs/dbraw/zinc/23/21/74/328232174.db2.gz ZSCGSSSHZKQGCX-GFCCVEGCSA-N 1 0 293.382 3.125 20 10 CGCDRO Oc1cc2c(cc1C[NH2+][C@H]1C[C@H](c3ccccc3)C1)OCO2 ZINC000280734697 328236312 /nfs/dbraw/zinc/23/63/12/328236312.db2.gz WHDHMKYWOMFAPI-CTYIDZIISA-N 1 0 297.354 3.157 20 10 CGCDRO CCC(CC)[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000228668927 329344243 /nfs/dbraw/zinc/34/42/43/329344243.db2.gz HLXOHXWUGNQVPK-UHFFFAOYSA-N 1 0 257.761 3.332 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CC(C)(C)CCCO)c1 ZINC000230666379 326936021 /nfs/dbraw/zinc/93/60/21/326936021.db2.gz LTDKNUOUCKCZEC-ZDUSSCGKSA-N 1 0 265.397 3.150 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]CCC(C)(F)F)c1O ZINC000294245276 327530784 /nfs/dbraw/zinc/53/07/84/327530784.db2.gz PMUGJPWLSHIBDJ-UHFFFAOYSA-N 1 0 279.714 3.189 20 10 CGCDRO c1cc(C[NH2+][C@@H]2CCOC3(CCCC3)C2)cc2c1OCC2 ZINC000136687472 329673688 /nfs/dbraw/zinc/67/36/88/329673688.db2.gz SCZFOWBSVWMXIS-MRXNPFEDSA-N 1 0 287.403 3.203 20 10 CGCDRO CCOCc1cc(C[NH2+]CC2CC=CC2)ccc1OC ZINC000527750400 330280921 /nfs/dbraw/zinc/28/09/21/330280921.db2.gz LFCAFIYZEMBGJU-UHFFFAOYSA-N 1 0 275.392 3.288 20 10 CGCDRO Oc1ccccc1C[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000527773771 330282275 /nfs/dbraw/zinc/28/22/75/330282275.db2.gz QSCTXEXHUUAIKJ-KRWDZBQOSA-N 1 0 268.360 3.418 20 10 CGCDRO CCC[C@@H](C[NH2+][C@H]1CCc2cccc(O)c21)OCC ZINC000527933712 330297618 /nfs/dbraw/zinc/29/76/18/330297618.db2.gz RXOIEPKEOOIBNY-KBPBESRZSA-N 1 0 263.381 3.174 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2C[C@]2(C)OC(C)C)c(O)c1 ZINC000527996692 330299686 /nfs/dbraw/zinc/29/96/86/330299686.db2.gz FHMMDPYNOASNDK-WQVCFCJDSA-N 1 0 263.381 3.307 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)c(O)c1 ZINC000527999221 330299822 /nfs/dbraw/zinc/29/98/22/330299822.db2.gz CTUZMNBVZRGSAF-UWHVMBRKSA-N 1 0 263.381 3.163 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1ccc(N(C)C)cc1 ZINC000090454740 330392697 /nfs/dbraw/zinc/39/26/97/330392697.db2.gz CYMOMGIPWYTGNP-WBVHZDCISA-N 1 0 298.434 3.074 20 10 CGCDRO CCOc1cccc(C[NH2+]C[C@H](C)c2nccs2)c1O ZINC000230693851 333321107 /nfs/dbraw/zinc/32/11/07/333321107.db2.gz SELDHNMNFFGKGB-NSHDSACASA-N 1 0 292.404 3.141 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H]2CCOC[C@@H]2C)cc1 ZINC000286939392 520287796 /nfs/dbraw/zinc/28/77/96/520287796.db2.gz BBURBQYVWNXVCC-YQQAZPJKSA-N 1 0 290.451 3.466 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CCc2ccncc2)cc1 ZINC000057921370 520905223 /nfs/dbraw/zinc/90/52/23/520905223.db2.gz FVMPLNOJKUDXFV-UHFFFAOYSA-N 1 0 283.419 3.260 20 10 CGCDRO CC1CCN(c2ccc(C[NH2+]CC3(C)COC3)cc2)CC1 ZINC000286481042 521041406 /nfs/dbraw/zinc/04/14/06/521041406.db2.gz LJCDKKJWCNFLKF-UHFFFAOYSA-N 1 0 288.435 3.049 20 10 CGCDRO CCOc1cccc(C[N@H+](C)Cc2ccc(O)cc2)c1O ZINC000290354538 521333288 /nfs/dbraw/zinc/33/32/88/521333288.db2.gz GJQMZUZGRSRBLG-UHFFFAOYSA-N 1 0 287.359 3.129 20 10 CGCDRO CCCN(CC)C[C@@H](C)[NH2+]Cc1cccc(OCC)c1O ZINC000289534613 521611254 /nfs/dbraw/zinc/61/12/54/521611254.db2.gz JHYSXRNMYUFIPO-CQSZACIVSA-N 1 0 294.439 3.001 20 10 CGCDRO CC[C@@H](C)NC(=O)CC[NH2+][C@@H](CC)c1ccc(C)cc1O ZINC000280187030 522153375 /nfs/dbraw/zinc/15/33/75/522153375.db2.gz SADZCTRHXNINOR-HIFRSBDPSA-N 1 0 292.423 3.046 20 10 CGCDRO CCc1nnc([C@@H](C)[NH2+][C@@H](CC)c2ccc(C)cc2O)[nH]1 ZINC000280177851 522422200 /nfs/dbraw/zinc/42/22/00/522422200.db2.gz RMSVHMVCWYWTRO-YPMHNXCESA-N 1 0 288.395 3.183 20 10 CGCDRO CC[C@H]([NH2+]CCC[C@@H](C)CO)c1ccc(N(C)C)cc1 ZINC000271595014 522587682 /nfs/dbraw/zinc/58/76/82/522587682.db2.gz YUWGIOZMIVTPDL-PBHICJAKSA-N 1 0 278.440 3.202 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H]1CCc2nccn2C1)c1ccc(C)cc1O ZINC000279964160 522620563 /nfs/dbraw/zinc/62/05/63/522620563.db2.gz CNXOAGDRQPUQBI-HOCLYGCPSA-N 1 0 299.418 3.200 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C(C)C ZINC000049127163 522648703 /nfs/dbraw/zinc/64/87/03/522648703.db2.gz UKMIIKIGCJUEPK-KRWDZBQOSA-N 1 0 276.424 3.047 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccnc(OC)c1)c1ccc(C)cc1O ZINC000280124063 522659400 /nfs/dbraw/zinc/65/94/00/522659400.db2.gz ONAVNUWRQTUPHK-HNNXBMFYSA-N 1 0 286.375 3.345 20 10 CGCDRO CC[C@H]([NH2+][C@@H](CO)CC(C)(C)C)c1ccccc1O ZINC000156814275 522705456 /nfs/dbraw/zinc/70/54/56/522705456.db2.gz VRRAQJDFNQKKPE-OCCSQVGLSA-N 1 0 265.397 3.230 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCSC1)c1ccc(N(C)C)cc1 ZINC000271496283 522760772 /nfs/dbraw/zinc/76/07/72/522760772.db2.gz MJONISDUOFKPEL-ZFWWWQNUSA-N 1 0 264.438 3.299 20 10 CGCDRO CC[C@@H]([NH2+]CC(C)(C)CCO)c1ccc(C)cc1O ZINC000280287776 522818091 /nfs/dbraw/zinc/81/80/91/522818091.db2.gz YYQCGZKMWBJVAF-CQSZACIVSA-N 1 0 265.397 3.150 20 10 CGCDRO CC[C@@H]([NH2+]CCC[C@H](C)CO)c1ccc(C)cc1O ZINC000280272644 522831407 /nfs/dbraw/zinc/83/14/07/522831407.db2.gz YASGBMVCGFYXES-DZGCQCFKSA-N 1 0 265.397 3.150 20 10 CGCDRO CC[C@@H]([NH2+]CCCn1ccnc1C)c1ccc(C)cc1O ZINC000280079194 522832864 /nfs/dbraw/zinc/83/28/64/522832864.db2.gz LQLJZNIMZUZQPV-MRXNPFEDSA-N 1 0 287.407 3.337 20 10 CGCDRO CC[C@@H]([NH2+]CCOCC(F)F)c1ccc(C)cc1O ZINC000279988813 522835975 /nfs/dbraw/zinc/83/59/75/522835975.db2.gz FFFYYXHWBYCCSH-GFCCVEGCSA-N 1 0 273.323 3.023 20 10 CGCDRO CC[C@@H]([NH2+]CC[C@H](C)CCO)c1ccc(C)cc1O ZINC000297368555 522839051 /nfs/dbraw/zinc/83/90/51/522839051.db2.gz QHUZRXWPIRSBQU-SWLSCSKDSA-N 1 0 265.397 3.150 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccnc(OC)c1)c1ccc(C)cc1O ZINC000280124066 522886033 /nfs/dbraw/zinc/88/60/33/522886033.db2.gz ONAVNUWRQTUPHK-OAHLLOKOSA-N 1 0 286.375 3.345 20 10 CGCDRO CC[C@@H]([NH2+][C@H](CO)CC(C)C)c1ccc(C)cc1O ZINC000279983266 522943439 /nfs/dbraw/zinc/94/34/39/522943439.db2.gz DVBIUDSVWNQGGI-DZGCQCFKSA-N 1 0 265.397 3.148 20 10 CGCDRO CC[C@](C)(O)C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000264775925 523509203 /nfs/dbraw/zinc/50/92/03/523509203.db2.gz SKSQQCWQMJSYDB-SFHVURJKSA-N 1 0 285.387 3.310 20 10 CGCDRO CO[C@@](C)(C[NH2+][C@@H](C)c1ccc(C)c(C)c1O)C1CC1 ZINC000291099544 523797310 /nfs/dbraw/zinc/79/73/10/523797310.db2.gz DNEOZJJRGFFTTG-GUYCJALGSA-N 1 0 277.408 3.475 20 10 CGCDRO CO[C@H](C)[C@@H](C)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000289974537 523890668 /nfs/dbraw/zinc/89/06/68/523890668.db2.gz ZGPDLDVUQLOZKL-HUUCEWRRSA-N 1 0 276.424 3.190 20 10 CGCDRO CO[C@H](C)[C@H](C)[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000276134666 523899592 /nfs/dbraw/zinc/89/95/92/523899592.db2.gz MCNCEMHORWSYDL-YNEHKIRRSA-N 1 0 251.370 3.083 20 10 CGCDRO CCc1ccc([C@H](O)C[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000276412740 524052043 /nfs/dbraw/zinc/05/20/43/524052043.db2.gz MQDRJVXEMCBIKP-FZKQIMNGSA-N 1 0 285.387 3.339 20 10 CGCDRO COc1ccc(C[NH2+]C[C@H]2COc3ccccc32)cc1C ZINC000288502387 524072504 /nfs/dbraw/zinc/07/25/04/524072504.db2.gz ICUAQQCREQJWSI-HNNXBMFYSA-N 1 0 283.371 3.269 20 10 CGCDRO COc1ccc(C[NH2+]Cc2cccc3c2OCO3)cc1C ZINC000040667218 524073259 /nfs/dbraw/zinc/07/32/59/524073259.db2.gz CJIBKEUBQYNKBV-UHFFFAOYSA-N 1 0 285.343 3.022 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2CCSC2)c(O)c1 ZINC000285402695 524329738 /nfs/dbraw/zinc/32/97/38/524329738.db2.gz XHAQRRGFUIHBSJ-OLZOCXBDSA-N 1 0 265.422 3.413 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CC(C)(C)[C@@H]2C2CC2)c1 ZINC000291642226 524736577 /nfs/dbraw/zinc/73/65/77/524736577.db2.gz TWKHHXQBTHCLMK-HNNXBMFYSA-N 1 0 261.365 3.021 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC2(O)CCCCCC2)c1 ZINC000087088988 524769371 /nfs/dbraw/zinc/76/93/71/524769371.db2.gz NIHVJAOMSBAVJD-ZDUSSCGKSA-N 1 0 293.407 3.137 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2COc3ccccc32)c1 ZINC000290264295 524770999 /nfs/dbraw/zinc/77/09/99/524770999.db2.gz KXLABFROMGPYBM-QWHCGFSZSA-N 1 0 299.370 3.228 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cnc(C)s2)c1 ZINC000040997434 524771798 /nfs/dbraw/zinc/77/17/98/524771798.db2.gz XZNVNGLMZBHNDG-VIFPVBQESA-N 1 0 278.377 3.017 20 10 CGCDRO Cc1cc(Cl)cc(CN2CCC[C@@H]([NH+](C)C)CC2)c1O ZINC000277601171 524862483 /nfs/dbraw/zinc/86/24/83/524862483.db2.gz VPQAJSCYLHHAEL-OAHLLOKOSA-N 1 0 296.842 3.270 20 10 CGCDRO C[C@]1(C[NH2+][C@@H]2CCc3cccc(O)c32)CCCS1 ZINC000297583811 525270225 /nfs/dbraw/zinc/27/02/25/525270225.db2.gz HHDMGNBOLUXTNV-IUODEOHRSA-N 1 0 263.406 3.255 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]C[C@]2(C)CCCS2)c1 ZINC000126493913 525348458 /nfs/dbraw/zinc/34/84/58/525348458.db2.gz RIFHWYDTHOQATA-AWEZNQCLSA-N 1 0 251.395 3.076 20 10 CGCDRO C[C@@H]([NH2+]CCC[C@H](C)CO)c1cc(Cl)ccc1O ZINC000273485477 525440845 /nfs/dbraw/zinc/44/08/45/525440845.db2.gz NCGHPINSOASKLD-WDEREUQCSA-N 1 0 271.788 3.105 20 10 CGCDRO COc1cccc(C[N@H+](C)Cc2ccc(Cl)nc2)c1O ZINC000125747511 525913145 /nfs/dbraw/zinc/91/31/45/525913145.db2.gz OYJVFQLXVYCKPP-UHFFFAOYSA-N 1 0 292.766 3.081 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](CO)C2CCCC2)c(O)c1C ZINC000290118915 525937514 /nfs/dbraw/zinc/93/75/14/525937514.db2.gz JDHNVHNBMNXENJ-BBRMVZONSA-N 1 0 277.408 3.211 20 10 CGCDRO COc1cccc(C[NH2+][C@@H](C)c2ccccc2OC)c1O ZINC000020096794 526030496 /nfs/dbraw/zinc/03/04/96/526030496.db2.gz XSQKGRQUYXLKNH-LBPRGKRZSA-N 1 0 287.359 3.260 20 10 CGCDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCc3cccc(O)c32)cc1 ZINC000297589244 527347012 /nfs/dbraw/zinc/34/70/12/527347012.db2.gz HNYKVCABVXJEOL-OAHLLOKOSA-N 1 0 298.342 3.120 20 10 CGCDRO CC1(C)C[N@H+](Cc2cc(Cl)ccc2O)CCCO1 ZINC000378345335 529122882 /nfs/dbraw/zinc/12/28/82/529122882.db2.gz JGEHRTVYHWXUJY-UHFFFAOYSA-N 1 0 269.772 3.047 20 10 CGCDRO COC1CCC(C[NH2+]Cc2c(O)cccc2Cl)CC1 ZINC000749922245 573059469 /nfs/dbraw/zinc/05/94/69/573059469.db2.gz BNCKAORLRHYHTQ-UHFFFAOYSA-N 1 0 283.799 3.340 20 10 CGCDRO CCOc1ccc(C[NH2+][C@H]2CCc3c2cccc3O)c(O)c1 ZINC000729685602 571929525 /nfs/dbraw/zinc/92/95/25/571929525.db2.gz BVVALVBZRPLKTB-INIZCTEOSA-N 1 0 299.370 3.274 20 10 CGCDRO Cc1cc(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)[nH]n1 ZINC000738431785 572375453 /nfs/dbraw/zinc/37/54/53/572375453.db2.gz YKTMTASFBHOYSF-UHFFFAOYSA-N 1 0 293.370 3.381 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2C[C@@H]2C)cc1F ZINC000740003899 572427995 /nfs/dbraw/zinc/42/79/95/572427995.db2.gz ASOJOGMJZXFMPI-JSGCOSHPSA-N 1 0 264.388 3.418 20 10 CGCDRO Cc1occc1C[NH2+]Cc1cc(Br)ccc1O ZINC000725849185 572442089 /nfs/dbraw/zinc/44/20/89/572442089.db2.gz VCLHCRVVYFTLAA-UHFFFAOYSA-N 1 0 296.164 3.346 20 10 CGCDRO Cc1cc(CN(C)Cc2cc[nH]n2)c(O)c(C(C)(C)C)c1 ZINC000732670894 572477083 /nfs/dbraw/zinc/47/70/83/572477083.db2.gz QYJVKNLLSVBAMU-UHFFFAOYSA-N 1 0 287.407 3.353 20 10 CGCDRO COc1ccc(C[NH2+]Cc2cc(C)ccc2O)cc1F ZINC000733322510 572555307 /nfs/dbraw/zinc/55/53/07/572555307.db2.gz KKGKHFCRUHKVND-UHFFFAOYSA-N 1 0 275.323 3.138 20 10 CGCDRO COC[C@H](C)[NH2+]CCc1cc(C)n(-c2ccccc2)c1C ZINC000743464703 572664805 /nfs/dbraw/zinc/66/48/05/572664805.db2.gz NPZIBJGOULONTL-AWEZNQCLSA-N 1 0 286.419 3.261 20 10 CGCDRO COc1ccc(C[NH2+][C@H](CO)[C@@H](C)c2ccccc2)cc1C ZINC000734846366 572687127 /nfs/dbraw/zinc/68/71/27/572687127.db2.gz SWJZCDZYAFZVSV-MAUKXSAKSA-N 1 0 299.414 3.258 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@H](OC)C(C)C)cc1F ZINC000744448079 572753703 /nfs/dbraw/zinc/75/37/03/572753703.db2.gz DLVYRWJPVZFDBC-KRWDZBQOSA-N 1 0 296.430 3.433 20 10 CGCDRO CO[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC000746754078 572894685 /nfs/dbraw/zinc/89/46/85/572894685.db2.gz JUYDGMNZZIEPAI-SJLPKXTDSA-N 1 0 288.435 3.334 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H](C)Cc2ccncc2)cc1C ZINC000749295184 572991749 /nfs/dbraw/zinc/99/17/49/572991749.db2.gz LBHMGYDUDWITOZ-AWEZNQCLSA-N 1 0 270.376 3.125 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H](C)c2ccncc2)c1 ZINC000749297177 572991767 /nfs/dbraw/zinc/99/17/67/572991767.db2.gz QJWVUVFXGHHQJJ-CYBMUJFWSA-N 1 0 286.375 3.079 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H](C)N(C)C2CC2)cc1 ZINC000247042054 617813121 /nfs/dbraw/zinc/81/31/21/617813121.db2.gz OHTCRTXLEAYRNO-GJZGRUSLSA-N 1 0 289.467 3.276 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]CC2=CCCOC2)c2c1c(F)ccc2O ZINC000806177599 617818007 /nfs/dbraw/zinc/81/80/07/617818007.db2.gz DLYUUXOUULSYJC-MFKMUULPSA-N 1 0 277.339 3.016 20 10 CGCDRO CC[C@@H]1CCC[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000068592311 617907612 /nfs/dbraw/zinc/90/76/12/617907612.db2.gz PAMMTSNZZUOXNB-DGCLKSJQSA-N 1 0 277.364 3.179 20 10 CGCDRO CC1CC[NH+](CCCNCc2c(O)cccc2Cl)CC1 ZINC000083551559 618009151 /nfs/dbraw/zinc/00/91/51/618009151.db2.gz VTVJWDCJLGEQDJ-UHFFFAOYSA-N 1 0 296.842 3.257 20 10 CGCDRO COc1ccc(C[N@H+](C)Cc2cccs2)c(O)c1OC ZINC000891474868 618230433 /nfs/dbraw/zinc/23/04/33/618230433.db2.gz YUEDXRIEUYOMMA-UHFFFAOYSA-N 1 0 293.388 3.103 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)CCCOC)cc1 ZINC000178229020 618244136 /nfs/dbraw/zinc/24/41/36/618244136.db2.gz ACASSLUKIFZXLD-HNNXBMFYSA-N 1 0 278.440 3.438 20 10 CGCDRO CC[C@H]1C[C@H](C)C[N@@H+]1Cc1ccc(OC)c(OC)c1O ZINC000892068813 618517470 /nfs/dbraw/zinc/51/74/70/618517470.db2.gz UFPGCKWWPASBAK-AAEUAGOBSA-N 1 0 279.380 3.030 20 10 CGCDRO Oc1ccccc1C[NH2+][C@@H]1CCc2ccccc2C1 ZINC000051630620 618616221 /nfs/dbraw/zinc/61/62/21/618616221.db2.gz IAEPXCHTPIVPSD-MRXNPFEDSA-N 1 0 253.345 3.039 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCc2ccco2)c(Cl)c1 ZINC000840877402 618757954 /nfs/dbraw/zinc/75/79/54/618757954.db2.gz WFTULXUVHOCECP-UHFFFAOYSA-N 1 0 265.740 3.279 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](C)CCC(C)C)c(O)c1OC ZINC000892428006 618774707 /nfs/dbraw/zinc/77/47/07/618774707.db2.gz YCRCFCXUWSOPJP-LBPRGKRZSA-N 1 0 281.396 3.324 20 10 CGCDRO C[C@H]1CSCC[N@@H+]1Cc1cc2c(cc1O)CCCC2 ZINC000179444610 618784841 /nfs/dbraw/zinc/78/48/41/618784841.db2.gz IHCSWSQOLOVBMY-LBPRGKRZSA-N 1 0 277.433 3.208 20 10 CGCDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2ccccc2O)C12CCC2 ZINC000179586611 618795652 /nfs/dbraw/zinc/79/56/52/618795652.db2.gz IHNKQWUZKGCCAZ-CVEARBPZSA-N 1 0 275.392 3.172 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)c1cc(C)ccc1O)[C@@H](O)C(C)C ZINC000840883081 618868179 /nfs/dbraw/zinc/86/81/79/618868179.db2.gz RSLCYJVRPYLRBC-NOLJZWGESA-N 1 0 265.397 3.147 20 10 CGCDRO CSCC[C@H](C)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000168790048 618914173 /nfs/dbraw/zinc/91/41/73/618914173.db2.gz BZBPSZCHMNBSFD-VHSXEESVSA-N 1 0 257.374 3.324 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@H](C)c1cnccn1 ZINC000840895286 618961252 /nfs/dbraw/zinc/96/12/52/618961252.db2.gz WVVOWTJOVPVZEY-HUUCEWRRSA-N 1 0 298.434 3.133 20 10 CGCDRO C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000020090754 618975437 /nfs/dbraw/zinc/97/54/37/618975437.db2.gz LOORXFNTFGHTBC-CRAIPNDOSA-N 1 0 288.435 3.192 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1CCCN1C)c1cc2c(cc1O)CCCC2 ZINC000185142313 625309935 /nfs/dbraw/zinc/30/99/35/625309935.db2.gz YXMSCAQZZAXARD-CZUORRHYSA-N 1 0 288.435 3.016 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccccc2C#N)c1 ZINC000182409344 619036608 /nfs/dbraw/zinc/03/66/08/619036608.db2.gz UYWLCFGBBQXJRU-GFCCVEGCSA-N 1 0 282.343 3.123 20 10 CGCDRO C[C@@H]([NH2+]CCCF)c1cc2c(cc1O)CCCC2 ZINC000186125746 619067735 /nfs/dbraw/zinc/06/77/35/619067735.db2.gz AGZPOPZDZALRGA-LLVKDONJSA-N 1 0 251.345 3.281 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2C[C@@H](C)N(C3CC3)C2)c(Cl)c1 ZINC000840904280 619088284 /nfs/dbraw/zinc/08/82/84/619088284.db2.gz IJKLUDXMXCIETA-VXGBXAGGSA-N 1 0 294.826 3.069 20 10 CGCDRO CS[C@@H]1CC[C@@H]([NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000310928860 619099583 /nfs/dbraw/zinc/09/95/83/619099583.db2.gz BSTPUCNPJMYTHD-JHJVBQTASA-N 1 0 263.406 3.253 20 10 CGCDRO CC[N@H+](CCC(F)(F)F)Cc1cccc(OC)c1O ZINC000092753817 619126087 /nfs/dbraw/zinc/12/60/87/619126087.db2.gz MEYHAUMJLRDKQB-UHFFFAOYSA-N 1 0 277.286 3.175 20 10 CGCDRO C[C@@H]([NH2+]C[C@H](C)N1CCC(C)CC1)c1cc(F)ccc1O ZINC000185227677 625324673 /nfs/dbraw/zinc/32/46/73/625324673.db2.gz UPEFAQJLUNVNIR-UONOGXRCSA-N 1 0 294.414 3.302 20 10 CGCDRO CSCC[C@H](C)[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000093558523 619203631 /nfs/dbraw/zinc/20/36/31/619203631.db2.gz UIOAZABDESCQCR-ZDUSSCGKSA-N 1 0 266.454 3.326 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@](C)(OC)C2CC2)cc1 ZINC000314390175 619226274 /nfs/dbraw/zinc/22/62/74/619226274.db2.gz SRZLRMCXNHVLBJ-SFHVURJKSA-N 1 0 290.451 3.438 20 10 CGCDRO CCCC(O)(CCC)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC000236788669 619229144 /nfs/dbraw/zinc/22/91/44/619229144.db2.gz OBXSHQROONAWTI-UHFFFAOYSA-N 1 0 279.424 3.425 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](C)CCC2CC2)c(O)c1OC ZINC000893648515 619268759 /nfs/dbraw/zinc/26/87/59/619268759.db2.gz IADBYJLUJDCSBV-NSHDSACASA-N 1 0 279.380 3.078 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000840959019 619276291 /nfs/dbraw/zinc/27/62/91/619276291.db2.gz RBORTEBZTRMQBD-JSGCOSHPSA-N 1 0 264.438 3.045 20 10 CGCDRO CCN(CC)C[C@@H](C)[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC000059715279 619279998 /nfs/dbraw/zinc/27/99/98/619279998.db2.gz KPLIXVPCPAZTOR-MRXNPFEDSA-N 1 0 291.483 3.353 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2F)cc1 ZINC000840962947 619282515 /nfs/dbraw/zinc/28/25/15/619282515.db2.gz OWLJGHLBMTTXDT-HUUCEWRRSA-N 1 0 250.361 3.123 20 10 CGCDRO Cc1cccc(C[N@@H+]2CC3(CCOCC3)[C@H]2C(C)C)c1O ZINC000840970360 619295821 /nfs/dbraw/zinc/29/58/21/619295821.db2.gz PYHYJZLMICGWDD-QGZVFWFLSA-N 1 0 289.419 3.338 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)CN1C[C@H](C)C[C@H](C)C1)c1ccccc1O ZINC000248384105 619379775 /nfs/dbraw/zinc/37/97/75/619379775.db2.gz CQOAXTQGBOKSMG-XUWVNRHRSA-N 1 0 290.451 3.409 20 10 CGCDRO C[C@H](CN1C[C@H](C)C[C@H](C)C1)[NH2+][C@H](C)c1ccccc1O ZINC000248384104 619380016 /nfs/dbraw/zinc/38/00/16/619380016.db2.gz CQOAXTQGBOKSMG-QKPAOTATSA-N 1 0 290.451 3.409 20 10 CGCDRO COc1cc(C)cc(C[NH2+]Cc2ccsc2)c1O ZINC000894138085 619388798 /nfs/dbraw/zinc/38/87/98/619388798.db2.gz WLMDKLWQVYATLQ-UHFFFAOYSA-N 1 0 263.362 3.061 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@H]2CCCc3occc32)c1O ZINC000894172670 619404934 /nfs/dbraw/zinc/40/49/34/619404934.db2.gz JFZBFPGWKYVLGO-AWEZNQCLSA-N 1 0 287.359 3.469 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@@H]2CC[C@H](SC)C2)c1O ZINC000894312983 619486591 /nfs/dbraw/zinc/48/65/91/619486591.db2.gz PMLXNUPDUXELOY-OLZOCXBDSA-N 1 0 281.421 3.083 20 10 CGCDRO COCCC1(C[NH2+]Cc2cc(C)cc(OC)c2O)CCC1 ZINC000894328956 619493837 /nfs/dbraw/zinc/49/38/37/619493837.db2.gz DLDMPFGFWRRLNW-UHFFFAOYSA-N 1 0 293.407 3.006 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C2CC3(C2)CO[C@H](C)C3)c1 ZINC000894503185 619556656 /nfs/dbraw/zinc/55/66/56/619556656.db2.gz YROHQEOLKIPFQO-SDQNGVQFSA-N 1 0 291.391 3.009 20 10 CGCDRO CCC1(CC)C[NH+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000894820306 619642668 /nfs/dbraw/zinc/64/26/68/619642668.db2.gz VLPIIXGZPRQIIK-UHFFFAOYSA-N 1 0 279.380 3.031 20 10 CGCDRO CC[N@H+](Cc1ccc(OC)c(OC)c1O)C1CC(C)(C)C1 ZINC000894923748 619684102 /nfs/dbraw/zinc/68/41/02/619684102.db2.gz LKJAOIZKSHNXNT-UHFFFAOYSA-N 1 0 293.407 3.420 20 10 CGCDRO CCCC[C@@H](COC)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000185494760 625363687 /nfs/dbraw/zinc/36/36/87/625363687.db2.gz HRQFJCSBBJGLQI-YPMHNXCESA-N 1 0 269.360 3.387 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@@H](C2CC2)C2CCC2)c1O ZINC000894969084 619689063 /nfs/dbraw/zinc/68/90/63/619689063.db2.gz GWSUHBAAQBKARI-MRXNPFEDSA-N 1 0 275.392 3.378 20 10 CGCDRO COc1ccc(C[NH2+]CC2(CO)CCCCC2)cc1C ZINC000157385133 619708933 /nfs/dbraw/zinc/70/89/33/619708933.db2.gz FGEVIIZGUFPEQJ-UHFFFAOYSA-N 1 0 277.408 3.036 20 10 CGCDRO COc1ccc(O)c(C[NH2+]Cc2ccccc2Cl)c1 ZINC000020088363 619766258 /nfs/dbraw/zinc/76/62/58/619766258.db2.gz LRWOFXLRKIKQIK-UHFFFAOYSA-N 1 0 277.751 3.344 20 10 CGCDRO COc1cc(C)cc(C[NH2+]CC[C@@]2(C)CC2(F)F)c1O ZINC000895273911 619793510 /nfs/dbraw/zinc/79/35/10/619793510.db2.gz LGLMNJXVYQOGGF-AWEZNQCLSA-N 1 0 285.334 3.234 20 10 CGCDRO CC1=NO[C@H](C[NH2+]Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000895310869 619803106 /nfs/dbraw/zinc/80/31/06/619803106.db2.gz KRQQRGOVCZFWEO-KRWDZBQOSA-N 1 0 296.370 3.314 20 10 CGCDRO COCC1([NH2+]Cc2cc(C)cc(OC)c2O)CCCCC1 ZINC000895359302 619812766 /nfs/dbraw/zinc/81/27/66/619812766.db2.gz PXASGKIOUZQKSF-UHFFFAOYSA-N 1 0 293.407 3.148 20 10 CGCDRO Cc1ccc(C[NH2+]CC2(C)CC(F)(F)C2)c(O)c1 ZINC000895531243 619842787 /nfs/dbraw/zinc/84/27/87/619842787.db2.gz LVWZCRHNHKHHQY-UHFFFAOYSA-N 1 0 255.308 3.226 20 10 CGCDRO Cc1ccc(C[N@@H+]2CC[C@H](c3nccs3)C2)c(O)c1 ZINC000895583365 619854346 /nfs/dbraw/zinc/85/43/46/619854346.db2.gz NYZDFQUMKZERHF-ZDUSSCGKSA-N 1 0 274.389 3.147 20 10 CGCDRO CCc1cccc(C[NH+]2CC(CC3CCOCC3)C2)c1O ZINC000895616499 619859581 /nfs/dbraw/zinc/85/95/81/619859581.db2.gz UNNSCZPMDZDHCH-UHFFFAOYSA-N 1 0 289.419 3.203 20 10 CGCDRO CCCN(CCC)c1ccc(C[N@@H+]2C[C@@H](O)C[C@H]2C)cc1 ZINC000788270303 619902580 /nfs/dbraw/zinc/90/25/80/619902580.db2.gz QWKMSIILPDRXBV-QAPCUYQASA-N 1 0 290.451 3.268 20 10 CGCDRO Cc1ccc(O)c(C[NH+]2CCC(Nc3ccccn3)CC2)c1 ZINC000896197352 619964440 /nfs/dbraw/zinc/96/44/40/619964440.db2.gz BNLBTTVEWRUKTJ-UHFFFAOYSA-N 1 0 297.402 3.172 20 10 CGCDRO Cc1cccc(CN[C@H]2c3ccccc3OC[C@@H]2F)c1O ZINC000896423525 620007173 /nfs/dbraw/zinc/00/71/73/620007173.db2.gz UANPWFBEGTXOEM-HOCLYGCPSA-N 1 0 287.334 3.262 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@H](c2ccccn2)C2CC2)c1O ZINC000896607924 620036871 /nfs/dbraw/zinc/03/68/71/620036871.db2.gz BFWOHBQMNPMVBE-KRWDZBQOSA-N 1 0 298.386 3.345 20 10 CGCDRO CCOCc1cc(C[NH2+][C@H]2CC[C@@H]2C)ccc1OC ZINC000796526700 620103310 /nfs/dbraw/zinc/10/33/10/620103310.db2.gz PYZHZBYWKBXNIK-WFASDCNBSA-N 1 0 263.381 3.120 20 10 CGCDRO Oc1cccc(Cl)c1C[NH+]1CCC(O)(C2CCC2)CC1 ZINC000897034151 620123630 /nfs/dbraw/zinc/12/36/30/620123630.db2.gz IOUHTPWYBNLIPN-UHFFFAOYSA-N 1 0 295.810 3.173 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+][C@@H]1CCCc2cccnc21 ZINC000897072353 620135117 /nfs/dbraw/zinc/13/51/17/620135117.db2.gz YUOOMEJUWUZYIL-CQSZACIVSA-N 1 0 272.323 3.094 20 10 CGCDRO Cc1cccc(C[NH2+]CCc2c(F)cc(O)cc2F)c1O ZINC000897304952 620187260 /nfs/dbraw/zinc/18/72/60/620187260.db2.gz MBTDTGKVQRJAKA-UHFFFAOYSA-N 1 0 293.313 3.017 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C1([C@H]2CCCCO2)CC1 ZINC000897387392 620280583 /nfs/dbraw/zinc/28/05/83/620280583.db2.gz TXQSZSLVSKHRHE-QGZVFWFLSA-N 1 0 288.435 3.252 20 10 CGCDRO CC[NH+](CC)CCC[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841743886 620344688 /nfs/dbraw/zinc/34/46/88/620344688.db2.gz KPKZZVGUCZDXES-GFCCVEGCSA-N 1 0 284.831 3.428 20 10 CGCDRO C[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc(Cl)cc1[O-] ZINC000841747579 620353452 /nfs/dbraw/zinc/35/34/52/620353452.db2.gz RHROQBIUSWWXLM-LBPRGKRZSA-N 1 0 296.842 3.428 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CCn2ccnc21)c1ccc(Cl)cc1O ZINC000841758602 620405553 /nfs/dbraw/zinc/40/55/53/620405553.db2.gz TUYDGBMKNFSJTM-SKDRFNHKSA-N 1 0 277.755 3.038 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@@H](C)c2cncs2)c1O ZINC000897931411 620447517 /nfs/dbraw/zinc/44/75/17/620447517.db2.gz YZICYDKRAKAMKB-JTQLQIEISA-N 1 0 278.377 3.017 20 10 CGCDRO C[C@H](Cc1cccnc1)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000897969961 620450587 /nfs/dbraw/zinc/45/05/87/620450587.db2.gz PNBKJUOPWDPLBN-CYBMUJFWSA-N 1 0 287.382 3.008 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@@H](C)C(C)(C)O)cc1C ZINC000898118946 620480524 /nfs/dbraw/zinc/48/05/24/620480524.db2.gz BFNBHABQSIGFBP-ZDUSSCGKSA-N 1 0 265.397 3.033 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H](c2ccncc2)C2CC2)c1 ZINC000898322922 620506155 /nfs/dbraw/zinc/50/61/55/620506155.db2.gz UUUZBALCLQWBEC-QGZVFWFLSA-N 1 0 284.359 3.037 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cc(C3CC3)n(C)n2)c(O)c1C ZINC000927108040 620577535 /nfs/dbraw/zinc/57/75/35/620577535.db2.gz KBZVMPFWFJKXDO-CYBMUJFWSA-N 1 0 299.418 3.471 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCCC[C@H]([C@H]3CCOC3)C2)c(O)c1 ZINC000898511661 620593918 /nfs/dbraw/zinc/59/39/18/620593918.db2.gz DHTNCHJOSOFIPL-RDJZCZTQSA-N 1 0 289.419 3.339 20 10 CGCDRO CC(=O)c1cc(F)cc(C[N@@H+](CC(C)C)C2CC2)c1[O-] ZINC000042558421 621179481 /nfs/dbraw/zinc/17/94/81/621179481.db2.gz HLNWZIVCMHVSTE-UHFFFAOYSA-N 1 0 279.355 3.354 20 10 CGCDRO COC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)c2c(C)cc(C)cc2O)C1 ZINC000903128696 621591468 /nfs/dbraw/zinc/59/14/68/621591468.db2.gz HUNDZVABYULIEK-MCIONIFRSA-N 1 0 291.391 3.001 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]CC[C@@H]2CC[C@@H]3C[C@@H]32)c1O ZINC000903165928 621610464 /nfs/dbraw/zinc/61/04/64/621610464.db2.gz YPRNHUCWYRJEAY-RMRHIDDWSA-N 1 0 275.392 3.488 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCN(C)[C@H]1C)c1ccc2ccccc2c1O ZINC000903302093 621668148 /nfs/dbraw/zinc/66/81/48/621668148.db2.gz YULUXJVKORMRPY-GDZNZVCISA-N 1 0 284.403 3.289 20 10 CGCDRO CC[C@@H]([NH2+][C@H](CO)CCc1ccccc1)c1ccccc1O ZINC000903290535 621673559 /nfs/dbraw/zinc/67/35/59/621673559.db2.gz YCMBTUMTXDDOIB-FUHWJXTLSA-N 1 0 299.414 3.427 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1cncs1 ZINC000903311082 621683477 /nfs/dbraw/zinc/68/34/77/621683477.db2.gz MXCJLJNUDRHSCC-DTWKUNHWSA-N 1 0 266.341 3.400 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc3nonc3c2)c(O)c1 ZINC000903326818 621700567 /nfs/dbraw/zinc/70/05/67/621700567.db2.gz TYVSYVLNLUHKEZ-LLVKDONJSA-N 1 0 283.331 3.088 20 10 CGCDRO C[C@@H]([NH2+]C1CC(CCO)C1)c1ccc2ccccc2c1O ZINC000903328874 621702199 /nfs/dbraw/zinc/70/21/99/621702199.db2.gz GJFJJAKPYIPBDB-DNOWBOINSA-N 1 0 285.387 3.357 20 10 CGCDRO C[C@H]([NH2+][C@@H]1COC[C@H]1C)c1ccc(N2CCCCC2)cc1 ZINC000903400775 621739450 /nfs/dbraw/zinc/73/94/50/621739450.db2.gz WPTDYVSCOKHOQZ-RVKKMQEKSA-N 1 0 288.435 3.362 20 10 CGCDRO CC[C@@H]1CCC[N@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000164008374 622810867 /nfs/dbraw/zinc/81/08/67/622810867.db2.gz QJCWXUGXRNUZPD-CYBMUJFWSA-N 1 0 263.381 3.331 20 10 CGCDRO COCCC[N@H+](C)Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000164215477 622819347 /nfs/dbraw/zinc/81/93/47/622819347.db2.gz XVEKSLIBEUUCOC-UHFFFAOYSA-N 1 0 295.423 3.167 20 10 CGCDRO COc1cc(C)cc(C[NH+]2Cc3ccccc3C2)c1O ZINC000164300087 622826805 /nfs/dbraw/zinc/82/68/05/622826805.db2.gz GFNSMSPFQURMQW-UHFFFAOYSA-N 1 0 269.344 3.225 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CCS[C@H](C)[C@@H]2C)c1O ZINC000164345658 622829333 /nfs/dbraw/zinc/82/93/33/622829333.db2.gz IHTLUFLUDPHFLS-NWDGAFQWSA-N 1 0 281.421 3.035 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CCC3(CCC3)C2)c1O ZINC000164487832 622837242 /nfs/dbraw/zinc/83/72/42/622837242.db2.gz KDBLNYSRHTVUBJ-UHFFFAOYSA-N 1 0 261.365 3.085 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]C[C@H]2CCCCS2)c1 ZINC000158091962 623003922 /nfs/dbraw/zinc/00/39/22/623003922.db2.gz SLQLBKNWRFXZTE-CYBMUJFWSA-N 1 0 251.395 3.076 20 10 CGCDRO CCOc1cccc(C[NH2+]C[C@@H]2CC[C@H](C)C2)c1O ZINC000230412946 623240658 /nfs/dbraw/zinc/24/06/58/623240658.db2.gz ABERSQSBRFZJLI-QWHCGFSZSA-N 1 0 263.381 3.317 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H]2CN2CCCC2)cc1C ZINC000172484427 623251343 /nfs/dbraw/zinc/25/13/43/623251343.db2.gz QFHLNJDZZVOEEK-QGZVFWFLSA-N 1 0 288.435 3.069 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](SC)C2)cc1C ZINC000230699153 623263959 /nfs/dbraw/zinc/26/39/59/623263959.db2.gz OXEKXANICFVMDX-KGLIPLIRSA-N 1 0 265.422 3.377 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C(C)C)C2CC2)c1 ZINC000324105537 623565118 /nfs/dbraw/zinc/56/51/18/623565118.db2.gz MIJINKVSICFYEQ-ZBEGNZNMSA-N 1 0 263.381 3.486 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CCOCC2CCCC2)cc1 ZINC000313308788 623640799 /nfs/dbraw/zinc/64/07/99/623640799.db2.gz UYNWVXQRAAUIJM-UHFFFAOYSA-N 1 0 276.424 3.049 20 10 CGCDRO Oc1ccccc1C[NH2+]C1(c2cccc(F)c2)CC1 ZINC000152864922 623726413 /nfs/dbraw/zinc/72/64/13/623726413.db2.gz ZJVWVPONCLBGGG-UHFFFAOYSA-N 1 0 257.308 3.310 20 10 CGCDRO CC[C@H](COC)[NH2+][C@H](C)c1ccc(N(C)CC)cc1 ZINC000152884189 623728685 /nfs/dbraw/zinc/72/86/85/623728685.db2.gz RIJUSMMYAFINAP-UKRRQHHQSA-N 1 0 264.413 3.218 20 10 CGCDRO COC[C@@H]([NH2+][C@H](C)c1cc2c(cc1O)CCCC2)C1CC1 ZINC000186153941 625679494 /nfs/dbraw/zinc/67/94/94/625679494.db2.gz TVWMHUBDDRHWMA-SJKOYZFVSA-N 1 0 289.419 3.347 20 10 CGCDRO CCC[C@H]([NH2+]Cc1cccc(OC)c1O)C1CCC1 ZINC000324680645 624214935 /nfs/dbraw/zinc/21/49/35/624214935.db2.gz RBFHBWSLDONADR-AWEZNQCLSA-N 1 0 263.381 3.459 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(NC(N)=O)cc1)c1ccccc1O ZINC000155055163 624417632 /nfs/dbraw/zinc/41/76/32/624417632.db2.gz LPQHPMHDYCVELR-HNNXBMFYSA-N 1 0 299.374 3.124 20 10 CGCDRO C[C@H](c1cccc(O)c1)[N@H+](C)Cc1cc(F)ccc1O ZINC000180135338 624721210 /nfs/dbraw/zinc/72/12/10/624721210.db2.gz QHPYWIARAWHJDX-LLVKDONJSA-N 1 0 275.323 3.430 20 10 CGCDRO COc1ccc(O)c(C[N@H+](C)[C@H]2C[C@](C)(OC)C2(C)C)c1 ZINC000180672742 624766609 /nfs/dbraw/zinc/76/66/09/624766609.db2.gz LFAKTAUXUDXLKU-RDJZCZTQSA-N 1 0 293.407 3.036 20 10 CGCDRO COC[C@H]([NH2+]Cc1cccc(C)c1O)c1ccc(C)o1 ZINC000182529210 625009119 /nfs/dbraw/zinc/00/91/19/625009119.db2.gz BXSKEPGWLFJTEE-AWEZNQCLSA-N 1 0 275.348 3.079 20 10 CGCDRO COC[C@@H]([NH2+]Cc1cccc(C)c1O)c1ccc(C)o1 ZINC000182529226 625009152 /nfs/dbraw/zinc/00/91/52/625009152.db2.gz BXSKEPGWLFJTEE-CQSZACIVSA-N 1 0 275.348 3.079 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccnn1C1CCC1 ZINC000921746785 625862568 /nfs/dbraw/zinc/86/25/68/625862568.db2.gz IDTZKVVYSUZTDM-UHFFFAOYSA-N 1 0 298.434 3.272 20 10 CGCDRO CC(C)C[C@@H](CCO)C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921807377 625883138 /nfs/dbraw/zinc/88/31/38/625883138.db2.gz POLNVAKXIMIWMQ-MRXNPFEDSA-N 1 0 291.435 3.146 20 10 CGCDRO C[C@H]1CC(C[NH2+]Cc2ccc3c(c2)CCCO3)C[C@H](C)O1 ZINC000922093749 625969451 /nfs/dbraw/zinc/96/94/51/625969451.db2.gz FQCJCJGJLQNDHM-KBPBESRZSA-N 1 0 289.419 3.305 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cccc3c2OCC3)c1 ZINC000922217452 625985188 /nfs/dbraw/zinc/98/51/88/625985188.db2.gz QDQTTWJXPJREEK-LBPRGKRZSA-N 1 0 299.370 3.187 20 10 CGCDRO CC(C)(F)CC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922246304 625989475 /nfs/dbraw/zinc/98/94/75/625989475.db2.gz NIXFTUATBPYXIB-UHFFFAOYSA-N 1 0 251.345 3.239 20 10 CGCDRO c1cc2c(cc1C[NH2+]C[C@H]1CC3(CCC3)CO1)CCCO2 ZINC000922336909 626000202 /nfs/dbraw/zinc/00/02/02/626000202.db2.gz CQLRZTCQZALZAV-MRXNPFEDSA-N 1 0 287.403 3.060 20 10 CGCDRO COC(C)(C)[C@H](C)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000922580020 626015150 /nfs/dbraw/zinc/01/51/50/626015150.db2.gz BFFZKUUEEUDUDU-DANTVBBOSA-N 1 0 276.424 3.169 20 10 CGCDRO CCOc1ccc(C[NH2+][C@@H]2CCS[C@H](C)C2)c(O)c1 ZINC000922841838 626055553 /nfs/dbraw/zinc/05/55/53/626055553.db2.gz JHPDQUBVQSHVRA-DGCLKSJQSA-N 1 0 281.421 3.165 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H](C2CC2)[C@H]2CCCOC2)cc1C ZINC000922894719 626091231 /nfs/dbraw/zinc/09/12/31/626091231.db2.gz BQMPANPYUIECEY-YJBOKZPZSA-N 1 0 289.419 3.304 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@]2(C)CCOC2)c(O)c1C ZINC000756575833 626097242 /nfs/dbraw/zinc/09/72/42/626097242.db2.gz QQNJSOVNHWGXPT-BBRMVZONSA-N 1 0 263.381 3.086 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]CC[C@@H]2OCCc3ccccc32)c1 ZINC000922965371 626108717 /nfs/dbraw/zinc/10/87/17/626108717.db2.gz XLKYZKSJUBQXKD-IBGZPJMESA-N 1 0 297.398 3.494 20 10 CGCDRO CC[C@H](C)C[N@H+](CC)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774907347 626181893 /nfs/dbraw/zinc/18/18/93/626181893.db2.gz ABJZEPHUJNSBGQ-NSHDSACASA-N 1 0 296.367 3.177 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)C[C@H]2CC2(Cl)Cl)cc1 ZINC000838523514 626234250 /nfs/dbraw/zinc/23/42/50/626234250.db2.gz XTDDLWLDVFTRRS-GFCCVEGCSA-N 1 0 287.234 3.378 20 10 CGCDRO COc1cccc(O)c1C[NH+]1CC2(C1)CCCCC2 ZINC000839132059 626321925 /nfs/dbraw/zinc/32/19/25/626321925.db2.gz JCKSEYQKZROWFO-UHFFFAOYSA-N 1 0 261.365 3.167 20 10 CGCDRO CCOc1ccc(C[NH+]2CC(C(C)(C)C)C2)c(O)c1 ZINC000839143753 626323594 /nfs/dbraw/zinc/32/35/94/626323594.db2.gz BQEDXZVUJYYPAO-UHFFFAOYSA-N 1 0 263.381 3.269 20 10 CGCDRO CC[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cccc(Cl)c1[O-] ZINC000806138893 626360608 /nfs/dbraw/zinc/36/06/08/626360608.db2.gz DLVQAEUKKQEJCB-DOMZBBRYSA-N 1 0 296.842 3.428 20 10 CGCDRO CC1(C)C[N@H+](Cc2c(O)ccc3ccncc32)CCS1 ZINC000751598742 626398153 /nfs/dbraw/zinc/39/81/53/626398153.db2.gz IHNRUUAJDADNMJ-UHFFFAOYSA-N 1 0 288.416 3.268 20 10 CGCDRO C[C@H]([NH2+]Cc1ccccc1O)[C@@H]1Oc2ccccc2[C@H]1C ZINC000752264376 626423234 /nfs/dbraw/zinc/42/32/34/626423234.db2.gz CXNLHNMEINTBKP-FHSNZYRGSA-N 1 0 283.371 3.435 20 10 CGCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000756079052 626675139 /nfs/dbraw/zinc/67/51/39/626675139.db2.gz FYVZHWHBWDFSAP-QGZVFWFLSA-N 1 0 276.424 3.142 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]CC(C)(C)N(C)C)c2c1c(F)ccc2O ZINC000756345619 626693784 /nfs/dbraw/zinc/69/37/84/626693784.db2.gz YXWYJQOKHSWHKW-PWSUYJOCSA-N 1 0 280.387 3.009 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccoc2)c2c1c(F)ccc2O ZINC000756445385 626706135 /nfs/dbraw/zinc/70/61/35/626706135.db2.gz MXHZGLYETMSWKE-SKDRFNHKSA-N 1 0 261.296 3.462 20 10 CGCDRO CC(C)C[C@H](CO)[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756449455 626707211 /nfs/dbraw/zinc/70/72/11/626707211.db2.gz MGKGREKWLHSCHM-LOWVWBTDSA-N 1 0 281.371 3.076 20 10 CGCDRO COCCCCC[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756496323 626710112 /nfs/dbraw/zinc/71/01/12/626710112.db2.gz GHLOIRIVQRCVNL-YPMHNXCESA-N 1 0 281.371 3.486 20 10 CGCDRO CCn1nc(C)c(C[NH2+][C@@H](C)c2cc(C)ccc2O)c1C ZINC000756533180 626712357 /nfs/dbraw/zinc/71/23/57/626712357.db2.gz CWMPAUFBXFKROD-LBPRGKRZSA-N 1 0 287.407 3.385 20 10 CGCDRO CCn1nc(C)c(C[NH2+][C@H](C)c2ccc(C)cc2O)c1C ZINC000756537154 626713251 /nfs/dbraw/zinc/71/32/51/626713251.db2.gz XCQPETWNOHECES-GFCCVEGCSA-N 1 0 287.407 3.385 20 10 CGCDRO C[C@@H]([NH2+]CCOCC1CC1)c1cc2c(cc1O)CCCC2 ZINC000756549528 626713925 /nfs/dbraw/zinc/71/39/25/626713925.db2.gz GGLTTWHTEZUTBG-CYBMUJFWSA-N 1 0 289.419 3.348 20 10 CGCDRO CO[C@H](C[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F)C(C)C ZINC000756626391 626721143 /nfs/dbraw/zinc/72/11/43/626721143.db2.gz ORGZXQGYIFUVRN-ZKYQVNSYSA-N 1 0 281.371 3.340 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCN2CC[C@@H](C)C2)c(O)c1C ZINC000756627388 626722176 /nfs/dbraw/zinc/72/21/76/626722176.db2.gz HYFMKZKISOOVBR-IUODEOHRSA-N 1 0 276.424 3.001 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc3c2OCCO3)c(O)c1 ZINC000756706309 626727311 /nfs/dbraw/zinc/72/73/11/626727311.db2.gz ZSPCOOPXAQNORU-ZDUSSCGKSA-N 1 0 299.370 3.323 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCSC2)c(O)c1C ZINC000756732910 626727981 /nfs/dbraw/zinc/72/79/81/626727981.db2.gz NZQUWNIAYOONHY-NEPJUHHUSA-N 1 0 251.395 3.165 20 10 CGCDRO CC[C@H](O)CCC[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756738151 626728608 /nfs/dbraw/zinc/72/86/08/626728608.db2.gz JWBKUXOYFAHXCD-GMXVVIOVSA-N 1 0 281.371 3.220 20 10 CGCDRO COCCC1(C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)CC1 ZINC000756762444 626730226 /nfs/dbraw/zinc/73/02/26/626730226.db2.gz ZZINHUSMLHKQLR-DGCLKSJQSA-N 1 0 293.382 3.486 20 10 CGCDRO CCC(CC)(CO)C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756770901 626730533 /nfs/dbraw/zinc/73/05/33/626730533.db2.gz PIMHXMPMHLXTDY-YPMHNXCESA-N 1 0 295.398 3.468 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ncccc2F)c2c1c(F)ccc2O ZINC000756768176 626730871 /nfs/dbraw/zinc/73/08/71/626730871.db2.gz KQLKVKPZQKIFDB-BXKDBHETSA-N 1 0 290.313 3.404 20 10 CGCDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@@H](C)c2cc(F)ccc2O)C1(C)C ZINC000756792099 626733311 /nfs/dbraw/zinc/73/33/11/626733311.db2.gz XQDQRBZFHXFSRZ-ANGCBRKESA-N 1 0 281.371 3.241 20 10 CGCDRO CO[C@@H](C[NH2+][C@@H](C)c1ccc(C)c(C)c1O)C(F)(F)F ZINC000756835513 626735930 /nfs/dbraw/zinc/73/59/30/626735930.db2.gz NTYVXWYOGDENHP-JQWIXIFHSA-N 1 0 291.313 3.237 20 10 CGCDRO CO[C@@](C)([C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1)C1CC1 ZINC000839640636 626774362 /nfs/dbraw/zinc/77/43/62/626774362.db2.gz RJZXBWBNBKVBOQ-DYVFJYSZSA-N 1 0 276.424 3.046 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)C[C@H]2CCCO2)cc1F ZINC000761228172 627027101 /nfs/dbraw/zinc/02/71/01/627027101.db2.gz INGINVLHWKVEKY-OAHLLOKOSA-N 1 0 294.414 3.283 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)c1 ZINC000762610922 627117373 /nfs/dbraw/zinc/11/73/73/627117373.db2.gz AJVYMIZKEBSODO-SNPRPXQTSA-N 1 0 295.473 3.170 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)[C@@H](C)OC)cc1 ZINC000765106753 627240692 /nfs/dbraw/zinc/24/06/92/627240692.db2.gz RCLQOZBXAFESPL-ZIAGYGMSSA-N 1 0 264.413 3.046 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H]2CCCCO2)cc1 ZINC000765341961 627246626 /nfs/dbraw/zinc/24/66/26/627246626.db2.gz AQAAOXCAUVHLRH-YOEHRIQHSA-N 1 0 276.424 3.362 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cncc(F)c1 ZINC000765607358 627262099 /nfs/dbraw/zinc/26/20/99/627262099.db2.gz CAEHCYSRACOODV-LLVKDONJSA-N 1 0 272.323 3.006 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](OC)C(C)C)c1ccc(N(C)C)cc1 ZINC000766366211 627323527 /nfs/dbraw/zinc/32/35/27/627323527.db2.gz MVOAJFCIVWGQEH-DLBZAZTESA-N 1 0 278.440 3.464 20 10 CGCDRO CC(C)(C)Oc1cccc(C[NH2+]Cc2ccccc2O)n1 ZINC000767417935 627406859 /nfs/dbraw/zinc/40/68/59/627406859.db2.gz RSIWURNXKXVZES-UHFFFAOYSA-N 1 0 286.375 3.254 20 10 CGCDRO CCOc1ccc(C[NH2+][C@@H](C)c2cccc(O)c2)c(O)c1 ZINC000767726541 627432833 /nfs/dbraw/zinc/43/28/33/627432833.db2.gz DCRCJPRVKAQAER-LBPRGKRZSA-N 1 0 287.359 3.347 20 10 CGCDRO Cc1cc(C[N@H+](Cc2ccccc2O)C2CCCC2)nn1C ZINC000767899802 627442086 /nfs/dbraw/zinc/44/20/86/627442086.db2.gz NXVHPTYBNIYHNL-UHFFFAOYSA-N 1 0 299.418 3.379 20 10 CGCDRO C[C@H]1CCC[C@H](C)[NH+]1Cc1ccc(N2CCOCC2)cc1 ZINC000768137635 627462499 /nfs/dbraw/zinc/46/24/99/627462499.db2.gz QKJPOONYIPKWLI-HOTGVXAUSA-N 1 0 288.435 3.286 20 10 CGCDRO Oc1ccccc1C[N@@H+](Cc1ccoc1)C[C@@H]1CCCO1 ZINC000768163301 627465042 /nfs/dbraw/zinc/46/50/42/627465042.db2.gz XXTQJIIDPDBERG-INIZCTEOSA-N 1 0 287.359 3.166 20 10 CGCDRO COc1cc(C[NH+]2CCC(C(F)F)CC2)c(O)cc1C ZINC000768462182 627481278 /nfs/dbraw/zinc/48/12/78/627481278.db2.gz KXRZVJHDDRFEPO-UHFFFAOYSA-N 1 0 285.334 3.186 20 10 CGCDRO CCOc1ccc(O)c(C[N@H+](C)Cc2ccoc2)c1 ZINC000769006465 627516140 /nfs/dbraw/zinc/51/61/40/627516140.db2.gz URTDBBKEIVLRHV-UHFFFAOYSA-N 1 0 261.321 3.016 20 10 CGCDRO CCOc1ccc(C[N@H+]2C[C@@H](C)S[C@@H](C)C2)c(O)c1 ZINC000769142782 627525461 /nfs/dbraw/zinc/52/54/61/627525461.db2.gz ZUVSQOXTKZYWIL-TXEJJXNPSA-N 1 0 281.421 3.117 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000769311672 627539123 /nfs/dbraw/zinc/53/91/23/627539123.db2.gz NWLMOHQTYYGZDS-CQSZACIVSA-N 1 0 291.782 3.079 20 10 CGCDRO Cc1ccc(O)c(C[N@H+]2CCN(C)c3ccccc3C2)c1 ZINC000769319872 627540414 /nfs/dbraw/zinc/54/04/14/627540414.db2.gz BRBUGLSRNFGIIZ-UHFFFAOYSA-N 1 0 282.387 3.153 20 10 CGCDRO CCOc1ccc(O)c(C[NH+]2CCC(C(F)F)CC2)c1 ZINC000769445798 627552954 /nfs/dbraw/zinc/55/29/54/627552954.db2.gz JXLGIVHQWDSFFM-UHFFFAOYSA-N 1 0 285.334 3.268 20 10 CGCDRO CCOc1ccc(C[N@@H+]2C[C@H](C)C[C@@H]2CC)c(O)c1 ZINC000769449125 627553777 /nfs/dbraw/zinc/55/37/77/627553777.db2.gz ZCOOVGKJBRHDMH-OCCSQVGLSA-N 1 0 263.381 3.411 20 10 CGCDRO CCC[C@H]1CCC[N@H+](Cc2c(O)cccc2OC)C1 ZINC000769503779 627560346 /nfs/dbraw/zinc/56/03/46/627560346.db2.gz LVXZXFBFNSFFFG-ZDUSSCGKSA-N 1 0 263.381 3.413 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@](C)(CC)C2)c1 ZINC000769519090 627562344 /nfs/dbraw/zinc/56/23/44/627562344.db2.gz JWTNGMSMNOUOMK-MRXNPFEDSA-N 1 0 263.381 3.413 20 10 CGCDRO CCOc1ccc(C[NH2+]Cc2ccc3c(c2)COC3)c(O)c1 ZINC000769929241 627590398 /nfs/dbraw/zinc/59/03/98/627590398.db2.gz XLHHHMBKTYUNTE-UHFFFAOYSA-N 1 0 299.370 3.111 20 10 CGCDRO Oc1cccc(Cl)c1C[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000770286601 627611735 /nfs/dbraw/zinc/61/17/35/627611735.db2.gz RYLUMLXHVXBCBB-FZMZJTMJSA-N 1 0 281.783 3.047 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000770285295 627611985 /nfs/dbraw/zinc/61/19/85/627611985.db2.gz FPQDERKVJJMZTA-RISCZKNCSA-N 1 0 281.783 3.047 20 10 CGCDRO CC[C@H](O)[C@H]1CCCC[N@@H+]1Cc1ccc(N(C)CC)cc1 ZINC000773755623 627911641 /nfs/dbraw/zinc/91/16/41/627911641.db2.gz UNIVEJYIWXFNHI-MSOLQXFVSA-N 1 0 290.451 3.268 20 10 CGCDRO CCN(C)c1ccc(CN2CCC[C@H]2c2ncc[nH]2)cc1 ZINC000773819097 627916819 /nfs/dbraw/zinc/91/68/19/627916819.db2.gz OEWLEBXTBLHGSU-INIZCTEOSA-N 1 0 284.407 3.203 20 10 CGCDRO CCN(C)c1ccc(C[N@H+](C)[C@@]2(CO)CC[C@@H](C)C2)cc1 ZINC000773861896 627921250 /nfs/dbraw/zinc/92/12/50/627921250.db2.gz ACZJIVMTBPBYDA-QAPCUYQASA-N 1 0 290.451 3.126 20 10 CGCDRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1cc(OC)c(C)cc1O ZINC000774621433 628009768 /nfs/dbraw/zinc/00/97/68/628009768.db2.gz QJHIFEYRLKLMHJ-BXUZGUMPSA-N 1 0 263.381 3.330 20 10 CGCDRO C[C@H]([NH2+]CCN1CCCc2ccccc21)c1ccccc1O ZINC000775128880 628066572 /nfs/dbraw/zinc/06/65/72/628066572.db2.gz FNPNHMGAVUDXJA-HNNXBMFYSA-N 1 0 296.414 3.496 20 10 CGCDRO CCC[C@]1(CO)CCC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000775175616 628068564 /nfs/dbraw/zinc/06/85/64/628068564.db2.gz JSJKGCVHJSPJGZ-QGZVFWFLSA-N 1 0 294.414 3.019 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H]2CCc3cc(O)ccc3C2)c1O ZINC000775178283 628069532 /nfs/dbraw/zinc/06/95/32/628069532.db2.gz VKQLEDVLVHJNIC-MRXNPFEDSA-N 1 0 283.371 3.053 20 10 CGCDRO CCC[C@]1(COC)CCC[N@@H+]1Cc1cccc(C)c1O ZINC000775201159 628072136 /nfs/dbraw/zinc/07/21/36/628072136.db2.gz CDTFGTCTBTUAFZ-QGZVFWFLSA-N 1 0 277.408 3.482 20 10 CGCDRO CO[C@@H]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000775418982 628093036 /nfs/dbraw/zinc/09/30/36/628093036.db2.gz RXMCHJIWMXMUMZ-FRFSOERESA-N 1 0 276.424 3.218 20 10 CGCDRO CC[C@H]([NH2+]C1CCOCC1)c1cc(Cl)ccc1O ZINC000775494281 628101315 /nfs/dbraw/zinc/10/13/15/628101315.db2.gz YXMMEMFZCTWPRI-ZDUSSCGKSA-N 1 0 269.772 3.265 20 10 CGCDRO CC[C@@H]([NH2+]CC1(O)CCC1)c1cc(Cl)ccc1O ZINC000775503214 628101781 /nfs/dbraw/zinc/10/17/81/628101781.db2.gz DLDZYKNDNMNLIW-GFCCVEGCSA-N 1 0 269.772 3.001 20 10 CGCDRO CC[C@H]([NH2+]Cc1cc[nH]n1)c1cc(Cl)ccc1O ZINC000775502476 628101789 /nfs/dbraw/zinc/10/17/89/628101789.db2.gz SEKYRWFCLQXOLR-LBPRGKRZSA-N 1 0 265.744 3.010 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCCOC1)c1cc(Cl)ccc1O ZINC000775502808 628102096 /nfs/dbraw/zinc/10/20/96/628102096.db2.gz WCZBHUHCFDMOCP-AAEUAGOBSA-N 1 0 269.772 3.265 20 10 CGCDRO CC[C@@H]([NH2+][C@H](C)CCCO)c1cc(Cl)ccc1O ZINC000775512729 628102848 /nfs/dbraw/zinc/10/28/48/628102848.db2.gz MEHZHCNVWZAQSO-ZWNOBZJWSA-N 1 0 271.788 3.247 20 10 CGCDRO CC[C@H]([NH2+][C@H](CO)CC1CC1)c1cc(Cl)ccc1O ZINC000775523561 628103480 /nfs/dbraw/zinc/10/34/80/628103480.db2.gz LADRFPMWCVBFLV-JSGCOSHPSA-N 1 0 283.799 3.247 20 10 CGCDRO CC[N@H+](Cc1ccoc1)Cc1cc(OC)c(OC)cc1O ZINC000775675067 628123883 /nfs/dbraw/zinc/12/38/83/628123883.db2.gz RGGXBIDLEMRXGM-UHFFFAOYSA-N 1 0 291.347 3.025 20 10 CGCDRO COc1ccc(O)c(C[NH2+]Cc2cscc2Cl)c1 ZINC000776174883 628175680 /nfs/dbraw/zinc/17/56/80/628175680.db2.gz IOBKAGUGSLHXRU-UHFFFAOYSA-N 1 0 283.780 3.406 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000776174696 628175930 /nfs/dbraw/zinc/17/59/30/628175930.db2.gz RRSRVOSGTMDHGT-MIFYACCESA-N 1 0 276.424 3.107 20 10 CGCDRO C[C@H]1Cc2ccccc2C[N@@H+]1Cc1cc(F)ccc1O ZINC000779025769 628384095 /nfs/dbraw/zinc/38/40/95/628384095.db2.gz HSJOWMIHJCGDLE-LBPRGKRZSA-N 1 0 271.335 3.478 20 10 CGCDRO CC[C@H]([NH2+][C@H]1C[C@H](O)C1(C)C)c1cc(Cl)ccc1O ZINC000779063580 628385925 /nfs/dbraw/zinc/38/59/25/628385925.db2.gz HBYYUXJYUIAHFQ-UBHSHLNASA-N 1 0 283.799 3.246 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2CCn3ccnc3C2)cc1 ZINC000779066363 628386856 /nfs/dbraw/zinc/38/68/56/628386856.db2.gz QRSMZYWMWXQRRT-ZBFHGGJFSA-N 1 0 298.434 3.005 20 10 CGCDRO CN(C)c1ccc(C[N@H+](Cc2ccc(F)nc2)C2CC2)cc1 ZINC000779154361 628390933 /nfs/dbraw/zinc/39/09/33/628390933.db2.gz RXXMBFYCFCFUGZ-UHFFFAOYSA-N 1 0 299.393 3.451 20 10 CGCDRO CCOCc1cc(C[NH2+]C[C@@H]2CCC=CO2)ccc1OC ZINC000780566687 628501458 /nfs/dbraw/zinc/50/14/58/628501458.db2.gz HXPCRHYCOZXVBP-INIZCTEOSA-N 1 0 291.391 3.014 20 10 CGCDRO Cc1cc(Br)c([O-])c(C[NH2+]C2(C3CC3)CC2)c1 ZINC000781636420 628581322 /nfs/dbraw/zinc/58/13/22/628581322.db2.gz WTEMNJWVRVNHBO-UHFFFAOYSA-N 1 0 296.208 3.495 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000781930407 628606051 /nfs/dbraw/zinc/60/60/51/628606051.db2.gz WSERUMOJDXJCHE-CXAGYDPISA-N 1 0 275.392 3.413 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1ccccc1O ZINC000783516482 628720149 /nfs/dbraw/zinc/72/01/49/628720149.db2.gz CIIXTMVVMMVUCA-CHWSQXEVSA-N 1 0 261.365 3.145 20 10 CGCDRO C[C@H](Cc1ccncc1)[NH2+][C@@H](C)c1ccccc1O ZINC000783518527 628720909 /nfs/dbraw/zinc/72/09/09/628720909.db2.gz DEBWHVRQAALGBF-OLZOCXBDSA-N 1 0 256.349 3.069 20 10 CGCDRO Cc1ccccc1[C@H]([C@H](C)[NH2+]Cc1ccccc1O)N(C)C ZINC000785561620 628870615 /nfs/dbraw/zinc/87/06/15/628870615.db2.gz ZSXBARKGDZFWFM-KXBFYZLASA-N 1 0 298.430 3.482 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1cc[nH]c(=O)c1 ZINC000788524817 629062658 /nfs/dbraw/zinc/06/26/58/629062658.db2.gz HVBORINBCOHLPT-CQSZACIVSA-N 1 0 297.402 3.238 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCOC(C)(C)C)c(O)c1 ZINC000788705997 629074412 /nfs/dbraw/zinc/07/44/12/629074412.db2.gz SFKWAIIZPAOYKK-ZDUSSCGKSA-N 1 0 265.397 3.475 20 10 CGCDRO C[C@@H]1CC[C@@H](C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)O1 ZINC000789310335 629122859 /nfs/dbraw/zinc/12/28/59/629122859.db2.gz QQANSLVRCLYVTH-KDOFPFPSSA-N 1 0 288.435 3.285 20 10 CGCDRO CCCN(Cc1ccnc(F)c1C)c1ccc(C[NH3+])cc1 ZINC000862349011 629346432 /nfs/dbraw/zinc/34/64/32/629346432.db2.gz ZKJONOYGWOUDFW-UHFFFAOYSA-N 1 0 287.382 3.404 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H]2COc3cccc(C)c3C2)c1O ZINC000862441645 629374731 /nfs/dbraw/zinc/37/47/31/629374731.db2.gz XCQCEPVOVVAOCB-HNNXBMFYSA-N 1 0 283.371 3.102 20 10 CGCDRO COc1ccc(C[C@@H](C)[NH2+]Cc2cc(C)ccc2O)cc1 ZINC000862476788 629383900 /nfs/dbraw/zinc/38/39/00/629383900.db2.gz YQFYSBISKGLCFW-CQSZACIVSA-N 1 0 285.387 3.430 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)c1 ZINC000862478266 629384344 /nfs/dbraw/zinc/38/43/44/629384344.db2.gz FFVCVMVXGBOIKF-CQSZACIVSA-N 1 0 292.382 3.439 20 10 CGCDRO COc1cccc(C[N@@H+]2CCCC3(CC3)CC2)c1O ZINC000862538940 629395193 /nfs/dbraw/zinc/39/51/93/629395193.db2.gz GWRMGHFSBGJPMZ-UHFFFAOYSA-N 1 0 261.365 3.167 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CC[C@H](c2ccc(O)cc2)C1 ZINC000862541632 629397428 /nfs/dbraw/zinc/39/74/28/629397428.db2.gz YFSFWMKEFPNTTD-AWEZNQCLSA-N 1 0 299.370 3.096 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C(C)C)c(O)c1 ZINC000793389461 629452886 /nfs/dbraw/zinc/45/28/86/629452886.db2.gz YWGHJQNRIAAISI-HUUCEWRRSA-N 1 0 263.381 3.315 20 10 CGCDRO COc1cccc(C[N@H+](CC2CC2)CC2CCC2)c1O ZINC000793388584 629453232 /nfs/dbraw/zinc/45/32/32/629453232.db2.gz GFQSALHXMMAWFO-UHFFFAOYSA-N 1 0 275.392 3.413 20 10 CGCDRO COc1ccc(C[NH2+]Cc2cc(F)ccc2C)c(O)c1 ZINC000793389466 629453563 /nfs/dbraw/zinc/45/35/63/629453563.db2.gz ZDJTWYCNRVEEBI-UHFFFAOYSA-N 1 0 275.323 3.138 20 10 CGCDRO COc1cccc2c1C[N@H+](Cc1cc3c(cc1O)CCC3)C2 ZINC000863320059 629531894 /nfs/dbraw/zinc/53/18/94/629531894.db2.gz GEVUSIRAKALEFC-UHFFFAOYSA-N 1 0 295.382 3.405 20 10 CGCDRO C[C@]1(O)CCC[N@H+](Cc2cc3c(cc2O)CCCC3)CC1 ZINC000794673256 629565031 /nfs/dbraw/zinc/56/50/31/629565031.db2.gz SMCBVBORCIALFV-SFHVURJKSA-N 1 0 289.419 3.008 20 10 CGCDRO Oc1cc2c(cc1C[NH+]1CCC(F)(F)CC1)CCC2 ZINC000794690954 629567889 /nfs/dbraw/zinc/56/78/89/629567889.db2.gz BTCUHVYIRBTODI-UHFFFAOYSA-N 1 0 267.319 3.112 20 10 CGCDRO CC[C@H]([NH2+][C@@H](COC)C(C)C)c1ccc(C)cc1O ZINC000794805619 629579012 /nfs/dbraw/zinc/57/90/12/629579012.db2.gz XXBXKVWWVTVWCK-GJZGRUSLSA-N 1 0 265.397 3.412 20 10 CGCDRO CC[C@H]([NH2+]CC1(O)CCCCC1)c1ccc(C)cc1O ZINC000794802543 629579466 /nfs/dbraw/zinc/57/94/66/629579466.db2.gz FZKHMLHVPRLTCR-HNNXBMFYSA-N 1 0 277.408 3.437 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CC[C@H](O)CC1)c1ccc(C)cc1O ZINC000794817035 629581285 /nfs/dbraw/zinc/58/12/85/629581285.db2.gz OIOIDAIDZBQFLK-YDHLFZDLSA-N 1 0 263.381 3.045 20 10 CGCDRO CC[C@@H]([NH2+]CCN1CC=CCC1)c1ccc(N(C)C)cc1 ZINC000794831098 629583437 /nfs/dbraw/zinc/58/34/37/629583437.db2.gz CLIZAGLBTRGORL-GOSISDBHSA-N 1 0 287.451 3.055 20 10 CGCDRO CCOCCC[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000119485142 629593402 /nfs/dbraw/zinc/59/34/02/629593402.db2.gz DOKXPXRQWGORRD-UHFFFAOYSA-N 1 0 289.375 3.414 20 10 CGCDRO CCN(C)c1ccc([C@H](C)N[C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000863541927 629601771 /nfs/dbraw/zinc/60/17/71/629601771.db2.gz NBDQBRGQLLSOKX-WMLDXEAASA-N 1 0 287.451 3.078 20 10 CGCDRO C[C@H](N[C@@H]1CC[NH2+][C@H]1C)c1cc(Cl)c(Cl)cc1O ZINC000863547238 629603611 /nfs/dbraw/zinc/60/36/11/629603611.db2.gz QGNARHZRFOEGDH-YVZVNANGSA-N 1 0 289.206 3.100 20 10 CGCDRO CCCN1CCC[C@H]1C[NH2+]Cc1cc(Cl)ccc1O ZINC000796523296 629794484 /nfs/dbraw/zinc/79/44/84/629794484.db2.gz YHBVXCQITVPEFM-AWEZNQCLSA-N 1 0 282.815 3.010 20 10 CGCDRO CN(Cc1cscn1)Cc1cc(Cl)ccc1O ZINC000120226436 629903374 /nfs/dbraw/zinc/90/33/74/629903374.db2.gz ZZSMAWUDMDVXOU-UHFFFAOYSA-N 1 0 268.769 3.134 20 10 CGCDRO COc1cc(C[N@H+]2CC(C)=C[C@H](C)C2)c(O)cc1C ZINC000797417932 629945550 /nfs/dbraw/zinc/94/55/50/629945550.db2.gz UPRACURVUQBTJZ-NSHDSACASA-N 1 0 261.365 3.107 20 10 CGCDRO CCCN(CCC)c1ccc(C[NH2+]CCF)cc1 ZINC000798087232 630020875 /nfs/dbraw/zinc/02/08/75/630020875.db2.gz POPUFCLOSOFBGJ-UHFFFAOYSA-N 1 0 252.377 3.372 20 10 CGCDRO CC[C@H]1C[N@H+](Cc2cc(Cl)cc(C)c2O)CCCO1 ZINC000798964646 630130780 /nfs/dbraw/zinc/13/07/80/630130780.db2.gz ONBZLPMHXBVYLQ-AWEZNQCLSA-N 1 0 283.799 3.355 20 10 CGCDRO CO[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000799352196 630174374 /nfs/dbraw/zinc/17/43/74/630174374.db2.gz OLBFOTDNHKHBSM-JSGCOSHPSA-N 1 0 269.772 3.093 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CC[C@@H]2CCSC2)cc1C ZINC000865654508 630256966 /nfs/dbraw/zinc/25/69/66/630256966.db2.gz NZQZQDGFXUWYIC-CYBMUJFWSA-N 1 0 265.422 3.242 20 10 CGCDRO CCC[N@H+](CCOCC(C)C)Cc1ccccc1O ZINC000800347082 630267221 /nfs/dbraw/zinc/26/72/21/630267221.db2.gz SYXZXVHAPOBGRI-UHFFFAOYSA-N 1 0 265.397 3.277 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CC[C@H]2C2CCC2)cc1 ZINC000800965636 630314285 /nfs/dbraw/zinc/31/42/85/630314285.db2.gz NPCCOCURVKMOFA-DLBZAZTESA-N 1 0 258.409 3.421 20 10 CGCDRO CCCC[N@H+](C/C=C(/C)C(=O)OC)Cc1ccccc1O ZINC000801595470 630346468 /nfs/dbraw/zinc/34/64/68/630346468.db2.gz DBDKQEZZCASKOG-UVTDQMKNSA-N 1 0 291.391 3.114 20 10 CGCDRO CCCC[N@H+](CCSC)Cc1ccccc1O ZINC000801595189 630346750 /nfs/dbraw/zinc/34/67/50/630346750.db2.gz YGPZRJLDOZKDRG-UHFFFAOYSA-N 1 0 253.411 3.357 20 10 CGCDRO CC[C@@H]([NH2+]CC1=CCCOC1)c1ccc(N(C)C)cc1 ZINC000806177801 630553708 /nfs/dbraw/zinc/55/37/08/630553708.db2.gz KLFUAVDBQWUAFO-QGZVFWFLSA-N 1 0 274.408 3.140 20 10 CGCDRO CCc1nocc1C[N@H+](C)Cc1cc2c(cc1O)CCC2 ZINC000840087868 630587235 /nfs/dbraw/zinc/58/72/35/630587235.db2.gz COSUXYOYJHJKKW-UHFFFAOYSA-N 1 0 286.375 3.063 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](C)Cn2ccnc2)c1O ZINC000808675516 630662826 /nfs/dbraw/zinc/66/28/26/630662826.db2.gz JLJWCQBTLDLPCT-NWDGAFQWSA-N 1 0 293.798 3.290 20 10 CGCDRO CCOCC[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808678194 630663225 /nfs/dbraw/zinc/66/32/25/630663225.db2.gz NDAZPTZJNUTFTP-SNVBAGLBSA-N 1 0 257.761 3.041 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCC[C@H](C)CO)c1O ZINC000808707835 630667857 /nfs/dbraw/zinc/66/78/57/630667857.db2.gz AFFBCWQSUPJWDZ-CMPLNLGQSA-N 1 0 285.815 3.413 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H](C2CCC2)[C@@H]2CCCO2)c1 ZINC000865736787 630675281 /nfs/dbraw/zinc/67/52/81/630675281.db2.gz NIUBICAYQBGCLI-DLBZAZTESA-N 1 0 275.392 3.138 20 10 CGCDRO Cc1ccncc1CCC[NH2+]Cc1ccc(N(C)C)cc1C ZINC000809618586 630763700 /nfs/dbraw/zinc/76/37/00/630763700.db2.gz KNJTZBUMENKHCE-UHFFFAOYSA-N 1 0 297.446 3.487 20 10 CGCDRO Cc1cc(O)c(CNc2c[nH+]ccc2-n2cccn2)cc1C ZINC000809631193 630767792 /nfs/dbraw/zinc/76/77/92/630767792.db2.gz BLQHZBMXJHVPJQ-UHFFFAOYSA-N 1 0 294.358 3.202 20 10 CGCDRO CC[C@H]([NH2+]CCCOC)c1ccc(C(F)(F)F)cc1O ZINC000810206920 630853972 /nfs/dbraw/zinc/85/39/72/630853972.db2.gz AKCCZRKZIDSFDS-LBPRGKRZSA-N 1 0 291.313 3.488 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ncccc2N(C)C)c(O)c1 ZINC000810249075 630858903 /nfs/dbraw/zinc/85/89/03/630858903.db2.gz LZFVJHIMJBMXMR-ZDUSSCGKSA-N 1 0 285.391 3.012 20 10 CGCDRO CC[C@H](C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)OC ZINC000810260346 630861395 /nfs/dbraw/zinc/86/13/95/630861395.db2.gz JGOKIBIRCVWWTD-SWLSCSKDSA-N 1 0 277.408 3.347 20 10 CGCDRO COCC1(CC[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)CC1 ZINC000842891296 635505539 /nfs/dbraw/zinc/50/55/39/635505539.db2.gz SJPGQUOAQBTAMA-YPMHNXCESA-N 1 0 293.382 3.486 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c1 ZINC000811778770 631119638 /nfs/dbraw/zinc/11/96/38/631119638.db2.gz NSFYTNZQHLCHLG-DOTOQJQBSA-N 1 0 289.419 3.398 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+](C(C)C)[C@@H]2CCOC2)c1 ZINC000812290665 631235411 /nfs/dbraw/zinc/23/54/11/631235411.db2.gz FKPDXASZGTWLIV-OAHLLOKOSA-N 1 0 263.381 3.008 20 10 CGCDRO CN(C)c1ccc(C[NH+]2CC(c3ccccc3F)C2)cc1 ZINC000812790221 631309259 /nfs/dbraw/zinc/30/92/59/631309259.db2.gz MFMXONGCNJEDCI-UHFFFAOYSA-N 1 0 284.378 3.491 20 10 CGCDRO CC[C@@H]([NH2+]CC(C)(C)COC)c1ccc(N(C)C)cc1 ZINC000813883064 631476353 /nfs/dbraw/zinc/47/63/53/631476353.db2.gz PVYYNCVUCVLEAU-MRXNPFEDSA-N 1 0 278.440 3.466 20 10 CGCDRO CC(C)[C@H]1[N@H+](Cc2cc3c(cc2O)OCO3)CC12CCC2 ZINC000814170743 631536485 /nfs/dbraw/zinc/53/64/85/631536485.db2.gz CSEMWISLGQHJLD-MRXNPFEDSA-N 1 0 289.375 3.131 20 10 CGCDRO COc1cccc(O)c1C[N@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000814177410 631538687 /nfs/dbraw/zinc/53/86/87/631538687.db2.gz AYOMIDRMZRLBDN-CYBMUJFWSA-N 1 0 299.370 3.184 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CCC[C@H](CSC)C2)c(O)c1 ZINC000814179712 631539718 /nfs/dbraw/zinc/53/97/18/631539718.db2.gz XLIPCXRRMXKXLP-ZDUSSCGKSA-N 1 0 295.448 3.366 20 10 CGCDRO CC[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000815052374 631707791 /nfs/dbraw/zinc/70/77/91/631707791.db2.gz MLDVEROOKBYEHW-ROUUACIJSA-N 1 0 290.451 3.186 20 10 CGCDRO Cc1cc(C[N@H+]2CCS[C@H](C)[C@H]2C)ccc1N(C)C ZINC000815050644 631707802 /nfs/dbraw/zinc/70/78/02/631707802.db2.gz DKDKCNBTPMEGIM-ZIAGYGMSSA-N 1 0 278.465 3.387 20 10 CGCDRO Cc1cc(C[N@H+]2CC[C@@H](C)[C@@H](F)C2)ccc1N(C)C ZINC000815087975 631713889 /nfs/dbraw/zinc/71/38/89/631713889.db2.gz WVIGLMHCIWBZAR-DOMZBBRYSA-N 1 0 264.388 3.241 20 10 CGCDRO Cc1cc(C[NH2+][C@@H](CO)C2CCCCC2)ccc1N(C)C ZINC000815086785 631714094 /nfs/dbraw/zinc/71/40/94/631714094.db2.gz OPIHKJOAIGXGTO-KRWDZBQOSA-N 1 0 290.451 3.092 20 10 CGCDRO OC[C@@H](C[NH2+]Cc1c(O)cccc1Cl)C1CCCCC1 ZINC000815151317 631732032 /nfs/dbraw/zinc/73/20/32/631732032.db2.gz XQOKFWVTQHRFCF-CYBMUJFWSA-N 1 0 297.826 3.324 20 10 CGCDRO COc1cccc(C[NH2+]Cc2c(F)cc(F)cc2F)c1O ZINC000815152836 631732039 /nfs/dbraw/zinc/73/20/39/631732039.db2.gz WZCIKVPIBPKNPQ-UHFFFAOYSA-N 1 0 297.276 3.108 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](O)CC(C)C)c(O)c1 ZINC000815571973 631798350 /nfs/dbraw/zinc/79/83/50/631798350.db2.gz RFNQWUWGVKKZJS-KGLIPLIRSA-N 1 0 265.397 3.067 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@H]2CCN(CC3CC3)C2)c(O)c1 ZINC000815578693 631799573 /nfs/dbraw/zinc/79/95/73/631799573.db2.gz TZUKOUHOXIJPRS-HOCLYGCPSA-N 1 0 288.435 3.144 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCN(C)[C@@H](C)C2)c(O)c1 ZINC000815583742 631800187 /nfs/dbraw/zinc/80/01/87/631800187.db2.gz NIMXLNGWNRWWLK-SOUVJXGZSA-N 1 0 276.424 3.142 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCN2CC[C@@H](C)C2)c(O)c1 ZINC000815585703 631801741 /nfs/dbraw/zinc/80/17/41/631801741.db2.gz PUXCUOYLEDKGHS-DOMZBBRYSA-N 1 0 276.424 3.001 20 10 CGCDRO CCOC[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816518617 632003315 /nfs/dbraw/zinc/00/33/15/632003315.db2.gz HYIHRHLKCKNZOH-CQSZACIVSA-N 1 0 285.387 3.404 20 10 CGCDRO C[C@H](O)CC(C)(C)C[NH2+]Cc1ccc2ccccc2c1O ZINC000816552437 632009883 /nfs/dbraw/zinc/00/98/83/632009883.db2.gz MIFPMFZWPAAFSK-ZDUSSCGKSA-N 1 0 287.403 3.432 20 10 CGCDRO Oc1c(C[NH2+]C[C@@H]2CCC[C@H](O)C2)ccc2ccccc21 ZINC000816553501 632010066 /nfs/dbraw/zinc/01/00/66/632010066.db2.gz XRRAUVWAZIUGSF-CJNGLKHVSA-N 1 0 285.387 3.186 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C2CC(C(C)(C)C)C2)c1 ZINC000816642224 632030546 /nfs/dbraw/zinc/03/05/46/632030546.db2.gz TWWIXPOJRRDNKO-UHFFFAOYSA-N 1 0 263.381 3.315 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](CO)CC2)cc1 ZINC000816666642 632040275 /nfs/dbraw/zinc/04/02/75/632040275.db2.gz SIJOHNIWMXICJJ-QGZVFWFLSA-N 1 0 290.451 3.127 20 10 CGCDRO OC[C@@H]1CCC[N@H+](Cc2ccc3ccccc3c2O)CC1 ZINC000816665612 632040766 /nfs/dbraw/zinc/04/07/66/632040766.db2.gz OMLSZXFMVGOWBA-CQSZACIVSA-N 1 0 285.387 3.140 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]C[C@H]2CC23CCSCC3)c1 ZINC000817410554 632142554 /nfs/dbraw/zinc/14/25/54/632142554.db2.gz NEVFRRDYSCMOPO-CQSZACIVSA-N 1 0 277.433 3.324 20 10 CGCDRO Cc1cc(N(C)C)ccc1CN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000817895047 632230174 /nfs/dbraw/zinc/23/01/74/632230174.db2.gz TVPNLHIAZXNSJB-RTBURBONSA-N 1 0 295.430 3.295 20 10 CGCDRO CC[C@@H]([NH2+]CC1CC[NH2+]CC1)c1cccc(Cl)c1[O-] ZINC000817941396 632241048 /nfs/dbraw/zinc/24/10/48/632241048.db2.gz PPVRKOMWVMKBJT-CQSZACIVSA-N 1 0 282.815 3.086 20 10 CGCDRO Nc1ccc(CC[NH2+][C@@H]2CCc3c2cc(F)cc3F)cc1 ZINC000817956263 632251404 /nfs/dbraw/zinc/25/14/04/632251404.db2.gz VEVFGHSIFBVDAJ-QGZVFWFLSA-N 1 0 288.341 3.367 20 10 CGCDRO CC[C@@H]([NH2+][C@H](CN)CC(C)C)c1ccc(N(C)C)cc1 ZINC000817958176 632253765 /nfs/dbraw/zinc/25/37/65/632253765.db2.gz IMYVHLFOJMTCJF-DOTOQJQBSA-N 1 0 277.456 3.167 20 10 CGCDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)c1cc(F)ccc1O ZINC000817957883 632253788 /nfs/dbraw/zinc/25/37/88/632253788.db2.gz QJOGTKMGJASFIH-LLVKDONJSA-N 1 0 274.339 3.007 20 10 CGCDRO CC[C@@H]([NH2+]CC([NH3+])(CC)CC)c1ccc(F)cc1[O-] ZINC000817959360 632254845 /nfs/dbraw/zinc/25/48/45/632254845.db2.gz CBCQQEVRUJXQKO-CYBMUJFWSA-N 1 0 268.376 3.090 20 10 CGCDRO C[C@@H]([NH2+][C@H](CN)C1CC1)c1ccc(N2CCCCC2)cc1 ZINC000817960596 632256700 /nfs/dbraw/zinc/25/67/00/632256700.db2.gz OAPNFNNBXFGDMZ-RDTXWAMCSA-N 1 0 287.451 3.065 20 10 CGCDRO C[C@H](NC[C@H]([NH3+])C1CC1)c1ccc(N2CCCCC2)cc1 ZINC000817965212 632260362 /nfs/dbraw/zinc/26/03/62/632260362.db2.gz NVJFXLNQSNBONB-KSSFIOAISA-N 1 0 287.451 3.065 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cccc(Cl)c1[O-] ZINC000817966491 632261222 /nfs/dbraw/zinc/26/12/22/632261222.db2.gz OWWBYUXWCZMTNL-ZBFHGGJFSA-N 1 0 296.842 3.476 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccc(Cl)c(Cl)c1[O-] ZINC000817973760 632265738 /nfs/dbraw/zinc/26/57/38/632265738.db2.gz WBXMGOZHCRFRQE-OIBJUYFYSA-N 1 0 277.195 3.087 20 10 CGCDRO CC[C@H]([NH2+]C[C@H]1NCCc2ccccc21)c1ccccc1O ZINC000817975643 632267514 /nfs/dbraw/zinc/26/75/14/632267514.db2.gz XFAPKOGEKGLMCR-ZWKOTPCHSA-N 1 0 296.414 3.320 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1cccc(Cl)c1[O-] ZINC000817976903 632267693 /nfs/dbraw/zinc/26/76/93/632267693.db2.gz WTFFVXLZPWZFKC-KBPBESRZSA-N 1 0 294.826 3.228 20 10 CGCDRO C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817977226 632269254 /nfs/dbraw/zinc/26/92/54/632269254.db2.gz FDEAEZPUFJFNKN-CSMHCCOUSA-N 1 0 277.195 3.085 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@H]2CC23CC3)c(C(F)(F)F)c1 ZINC000818230152 632298485 /nfs/dbraw/zinc/29/84/85/632298485.db2.gz NEZMKBCGVKPAIF-ZDUSSCGKSA-N 1 0 284.325 3.414 20 10 CGCDRO CC[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818342680 632311227 /nfs/dbraw/zinc/31/12/27/632311227.db2.gz UPBAKFHPYHYVFT-RKVPGOIHSA-N 1 0 288.435 3.300 20 10 CGCDRO COc1ccc(C[NH2+]C[C@@H](O)[C@H](C)c2ccccc2)cc1C ZINC000818997568 632361596 /nfs/dbraw/zinc/36/15/96/632361596.db2.gz FZONBJTUCIOHSU-CRAIPNDOSA-N 1 0 299.414 3.258 20 10 CGCDRO C[C@@H](O)C[NH2+]Cc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000819290493 632421479 /nfs/dbraw/zinc/42/14/79/632421479.db2.gz HMWVSOGKPGITFG-CHWSQXEVSA-N 1 0 296.842 3.047 20 10 CGCDRO COc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccc2c(c1)CCO2 ZINC000866252211 633045940 /nfs/dbraw/zinc/04/59/40/633045940.db2.gz GRYCEMNDFOIAEG-GOSISDBHSA-N 1 0 295.382 3.407 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)[C@@H](C)O1 ZINC000866443376 633133883 /nfs/dbraw/zinc/13/38/83/633133883.db2.gz LDARBCFHSSYYKT-HQPVMZNJSA-N 1 0 279.355 3.235 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CC(C)(C)CC[C@H]1O)c1ccccc1O ZINC000866452369 633142453 /nfs/dbraw/zinc/14/24/53/633142453.db2.gz DRFLUCSCKCTGLW-SQWLQELKSA-N 1 0 277.408 3.373 20 10 CGCDRO Cc1cnccc1C[NH2+]Cc1ccc(N(C)C)cc1C ZINC000823851554 633158853 /nfs/dbraw/zinc/15/88/53/633158853.db2.gz OWLFKWBOECXNQD-UHFFFAOYSA-N 1 0 269.392 3.054 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@H]2CCCC23CCC3)c1 ZINC000823872115 633163371 /nfs/dbraw/zinc/16/33/71/633163371.db2.gz YVXXNPRLHPZQTH-HNNXBMFYSA-N 1 0 261.365 3.213 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1CCC12CCOCC2)c1ccccc1O ZINC000866528313 633173369 /nfs/dbraw/zinc/17/33/69/633173369.db2.gz DOHPUFWZPMZWOM-UONOGXRCSA-N 1 0 275.392 3.250 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccnn2C)c(O)c1C ZINC000866613017 633213541 /nfs/dbraw/zinc/21/35/41/633213541.db2.gz DKHXQWIOVTYZEA-QWHCGFSZSA-N 1 0 273.380 3.154 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H](C)c2ccnn2C)cc1 ZINC000866613434 633213583 /nfs/dbraw/zinc/21/35/83/633213583.db2.gz SRQPMGCZMHRIMW-UONOGXRCSA-N 1 0 286.423 3.288 20 10 CGCDRO C[C@@H]([NH2+][C@H](C)c1cc2c(cc1O)CCCC2)c1ccnn1C ZINC000866615908 633215745 /nfs/dbraw/zinc/21/57/45/633215745.db2.gz XTKDVSGQMTZSIT-CHWSQXEVSA-N 1 0 299.418 3.416 20 10 CGCDRO COc1cccc(C[NH2+][C@@H]2CCCC23CCC3)c1O ZINC000824382772 633238870 /nfs/dbraw/zinc/23/88/70/633238870.db2.gz HDJZTZWFDMXMBN-CQSZACIVSA-N 1 0 261.365 3.213 20 10 CGCDRO COc1cccc(C[NH2+][C@@H]2C[C@@H](C)CC[C@@H]2C)c1O ZINC000824383516 633240430 /nfs/dbraw/zinc/24/04/30/633240430.db2.gz OOHOKBXXKRAOLY-SGMGOOAPSA-N 1 0 263.381 3.315 20 10 CGCDRO CCC[C@@H](C[NH2+]Cc1ccc2ccccc2c1O)OC ZINC000824543168 633257265 /nfs/dbraw/zinc/25/72/65/633257265.db2.gz FSGRBVJOKWZAJU-HNNXBMFYSA-N 1 0 273.376 3.450 20 10 CGCDRO CCC[C@H](C[NH2+]Cc1cc(Cl)cc(C)c1O)OC ZINC000824544000 633258136 /nfs/dbraw/zinc/25/81/36/633258136.db2.gz RUBKPASSBIXKEJ-CYBMUJFWSA-N 1 0 271.788 3.259 20 10 CGCDRO Cc1cc(O)c(C[N@H+](C)C[C@H]2CCCOC2)cc1Cl ZINC000824719687 633279705 /nfs/dbraw/zinc/27/97/05/633279705.db2.gz GODXJFSASDKGRL-GFCCVEGCSA-N 1 0 283.799 3.212 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CCCC2(F)F)cc1F ZINC000824798275 633292355 /nfs/dbraw/zinc/29/23/55/633292355.db2.gz BJNIXAXAZZZVDV-LBPRGKRZSA-N 1 0 286.341 3.417 20 10 CGCDRO CC[C@@H]([NH2+][C@H](C)c1nccn1CC)c1ccccc1O ZINC000825005385 633316842 /nfs/dbraw/zinc/31/68/42/633316842.db2.gz JBZCIHUFJIVUNP-TZMCWYRMSA-N 1 0 273.380 3.411 20 10 CGCDRO CCn1ccnc1[C@H](C)[NH2+]Cc1cc(C)c(C)cc1O ZINC000825005760 633317473 /nfs/dbraw/zinc/31/74/73/633317473.db2.gz RXBNZWUVUBZRNY-ZDUSSCGKSA-N 1 0 273.380 3.076 20 10 CGCDRO CCOc1cccc(C[N@H+](C)[C@@H](CO)CC(C)(C)C)c1O ZINC000825039984 633320818 /nfs/dbraw/zinc/32/08/18/633320818.db2.gz FAKPDHHIXPKTSP-CQSZACIVSA-N 1 0 295.423 3.020 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H](O)c2ccccc2)cc1Cl ZINC000825051230 633322740 /nfs/dbraw/zinc/32/27/40/633322740.db2.gz YPVDVZNORQRGTE-MRXNPFEDSA-N 1 0 291.778 3.177 20 10 CGCDRO Cc1n[nH]cc1CCC[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825096557 633327866 /nfs/dbraw/zinc/32/78/66/633327866.db2.gz HGIZQYLNTKXOMA-UHFFFAOYSA-N 1 0 293.798 3.108 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCN3CCCC[C@H]23)cc1Cl ZINC000825114667 633330132 /nfs/dbraw/zinc/33/01/32/633330132.db2.gz UWLBONUNCFHOBE-LSDHHAIUSA-N 1 0 294.826 3.070 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@]3(CCOC3)C2)c1O ZINC000825133871 633331439 /nfs/dbraw/zinc/33/14/39/633331439.db2.gz NOYUGIXUPLOAGG-MRXNPFEDSA-N 1 0 295.810 3.357 20 10 CGCDRO CCOCc1cc(C[NH2+]C[C@@H]2C[C@H]2C2CC2)ccc1OC ZINC000825246169 633338981 /nfs/dbraw/zinc/33/89/81/633338981.db2.gz ZGNQBPYCOFRZJJ-RDJZCZTQSA-N 1 0 289.419 3.367 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H](O)CC(C)(C)C)cc1Cl ZINC000825284038 633341781 /nfs/dbraw/zinc/34/17/81/633341781.db2.gz WQOSKAWYNUXLPY-LBPRGKRZSA-N 1 0 285.815 3.241 20 10 CGCDRO C[C@@H]1C[C@H](O)C[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000825311333 633343891 /nfs/dbraw/zinc/34/38/91/633343891.db2.gz IXFHCUVPTTUNIO-KDOFPFPSSA-N 1 0 297.398 3.262 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](COC)CC2)c1 ZINC000825321737 633344795 /nfs/dbraw/zinc/34/47/95/633344795.db2.gz MLDCDQARQKNQGW-AWEZNQCLSA-N 1 0 293.407 3.039 20 10 CGCDRO CCC[C@@H](CCO)C[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825315810 633344920 /nfs/dbraw/zinc/34/49/20/633344920.db2.gz MXADOOAXJNTJCE-LBPRGKRZSA-N 1 0 285.815 3.242 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H](CO)c2ccsc2)cc1Cl ZINC000825537114 633362745 /nfs/dbraw/zinc/36/27/45/633362745.db2.gz RMCAUKOUVUDDFF-CYBMUJFWSA-N 1 0 297.807 3.239 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H](C2CC2)C(C)(C)CO)cc1Cl ZINC000825948961 633392060 /nfs/dbraw/zinc/39/20/60/633392060.db2.gz NJNAAZOSXKFMQC-HNNXBMFYSA-N 1 0 297.826 3.241 20 10 CGCDRO CC(C)n1ccnc1C[NH2+]Cc1cc(Cl)ccc1O ZINC000826139689 633407175 /nfs/dbraw/zinc/40/71/75/633407175.db2.gz LLHYGBXCZPKKNZ-UHFFFAOYSA-N 1 0 279.771 3.113 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H](C)Cc2ccccn2)cc1Cl ZINC000826534451 633411015 /nfs/dbraw/zinc/41/10/15/633411015.db2.gz GPTQQJWMMYFADO-LBPRGKRZSA-N 1 0 290.794 3.470 20 10 CGCDRO [O-]c1c(Cl)cccc1C[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000826539572 633412659 /nfs/dbraw/zinc/41/26/59/633412659.db2.gz VZFVTVUCOHKDCU-GWCFXTLKSA-N 1 0 251.757 3.420 20 10 CGCDRO COC1CC(CC[NH2+]Cc2cc(Cl)c(C)cc2O)C1 ZINC000826796868 633433478 /nfs/dbraw/zinc/43/34/78/633433478.db2.gz OIDAVKNGECPZRD-UHFFFAOYSA-N 1 0 283.799 3.259 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C)c1cnn(C)c1 ZINC000122662909 633475585 /nfs/dbraw/zinc/47/55/85/633475585.db2.gz TUQZXFMMZGSSKD-QGZVFWFLSA-N 1 0 286.423 3.035 20 10 CGCDRO C[C@@]12COC[C@@H]1C[N@H+](Cc1ccc3ccccc3c1O)C2 ZINC000827284945 633478574 /nfs/dbraw/zinc/47/85/74/633478574.db2.gz WZDFZJHZOVXGCH-MAUKXSAKSA-N 1 0 283.371 3.014 20 10 CGCDRO CCc1cccc(C[NH2+]Cc2c(C3CCC3)cnn2C)c1O ZINC000827400763 633489324 /nfs/dbraw/zinc/48/93/24/633489324.db2.gz FOZZJSVCNZVIQO-UHFFFAOYSA-N 1 0 299.418 3.245 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1C(C)(C)C1(F)F ZINC000827511024 633495551 /nfs/dbraw/zinc/49/55/51/633495551.db2.gz MPWOIKJTOZXSEP-CQSZACIVSA-N 1 0 282.378 3.442 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@H](C2CCC2)C1 ZINC000827626828 633504737 /nfs/dbraw/zinc/50/47/37/633504737.db2.gz GEUUYGKRFBGDCE-AWEZNQCLSA-N 1 0 275.392 3.413 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)CC(F)(F)F ZINC000122802996 633515776 /nfs/dbraw/zinc/51/57/76/633515776.db2.gz SRGWYRMQQGQWRX-LLVKDONJSA-N 1 0 274.330 3.492 20 10 CGCDRO Cc1cncc(C[NH2+]Cc2c(O)cccc2Cl)c1 ZINC000123060043 633558374 /nfs/dbraw/zinc/55/83/74/633558374.db2.gz SAKOEJJENDWNGT-UHFFFAOYSA-N 1 0 262.740 3.039 20 10 CGCDRO C[C@]1(CC[NH2+]Cc2cc(F)ccc2O)C[C@@]1(F)Cl ZINC000846038427 636134738 /nfs/dbraw/zinc/13/47/38/636134738.db2.gz PHRBRCUZZBDXEK-STQMWFEESA-N 1 0 275.726 3.326 20 10 CGCDRO CCN(CCCCCC[NH3+])c1ccc(OC)cc1 ZINC000846218065 636161227 /nfs/dbraw/zinc/16/12/27/636161227.db2.gz RWLXPQSTXNFYSI-UHFFFAOYSA-N 1 0 250.386 3.041 20 10 CGCDRO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000872266676 634093722 /nfs/dbraw/zinc/09/37/22/634093722.db2.gz JUOVTQKCPBCGFT-HDICACEKSA-N 1 0 295.382 3.137 20 10 CGCDRO CN(CC[NH2+][C@@H]1CCc2cccc(O)c21)c1ccccc1 ZINC000834501435 634173591 /nfs/dbraw/zinc/17/35/91/634173591.db2.gz BDFIFPYDXAFBOW-MRXNPFEDSA-N 1 0 282.387 3.106 20 10 CGCDRO C[C@H](C[NH2+][C@@H]1CCc2cccc(O)c21)N1CCC(C)CC1 ZINC000834543313 634178906 /nfs/dbraw/zinc/17/89/06/634178906.db2.gz DHCJEHTXRZCZKK-GDBMZVCRSA-N 1 0 288.435 3.090 20 10 CGCDRO COC[C@H](Cc1ccccc1)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834611505 634197216 /nfs/dbraw/zinc/19/72/16/634197216.db2.gz LUPWDHUXNJNXDB-IRXDYDNUSA-N 1 0 297.398 3.227 20 10 CGCDRO CCCCn1cc(C[NH2+][C@H]2CCc3cccc(O)c32)c(C)n1 ZINC000834697455 634221833 /nfs/dbraw/zinc/22/18/33/634221833.db2.gz LLBZCBWKXDLLCG-INIZCTEOSA-N 1 0 299.418 3.474 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@@H](C)CC[S@](C)=O)cc1C ZINC000873073770 634241374 /nfs/dbraw/zinc/24/13/74/634241374.db2.gz BTRUUVKBNGESNC-XOBRGWDASA-N 1 0 297.464 3.031 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCn2ccnc21)c1cc(Cl)ccc1O ZINC000834830650 634250783 /nfs/dbraw/zinc/25/07/83/634250783.db2.gz FZZPUMRHCLPGFH-JOYOIKCWSA-N 1 0 277.755 3.038 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CC2=CCOCC2)c(O)c1C ZINC000834859746 634258225 /nfs/dbraw/zinc/25/82/25/634258225.db2.gz IHIXKAHNZIBKLY-CYBMUJFWSA-N 1 0 261.365 3.006 20 10 CGCDRO CCn1ccnc1C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000834880406 634263228 /nfs/dbraw/zinc/26/32/28/634263228.db2.gz YCHOQBDSBSZNJW-NSHDSACASA-N 1 0 293.798 3.421 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CC2(CF)CCOCC2)c(O)c1 ZINC000834887081 634267998 /nfs/dbraw/zinc/26/79/98/634267998.db2.gz XYXOHDHJBNLVKJ-ZDUSSCGKSA-N 1 0 281.371 3.118 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)c1cc(Cl)cc(C)c1O)[C@H](C)O ZINC000834889819 634269777 /nfs/dbraw/zinc/26/97/77/634269777.db2.gz ZXAUIEUYBDOEAF-NRUUGDAUSA-N 1 0 271.788 3.164 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H]1CCCC[C@H]1O)c1ccc(C)cc1O ZINC000834898686 634275682 /nfs/dbraw/zinc/27/56/82/634275682.db2.gz BKKUKZQPHVMVCW-NUEKZKHPSA-N 1 0 277.408 3.292 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCC[C@@H]2CCOC2)c(O)c1 ZINC000834904176 634281328 /nfs/dbraw/zinc/28/13/28/634281328.db2.gz NNAFQESYDYQMBR-HUUCEWRRSA-N 1 0 277.408 3.476 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2COCC2(C)C)c1O ZINC000834905806 634282087 /nfs/dbraw/zinc/28/20/87/634282087.db2.gz WNBGGYSZYIXIOS-GXFFZTMASA-N 1 0 283.799 3.430 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCOC(C)(C)C2)c1 ZINC000834908287 634283614 /nfs/dbraw/zinc/28/36/14/634283614.db2.gz DQUFJVYCMDZEQN-OLZOCXBDSA-N 1 0 293.407 3.257 20 10 CGCDRO COCC1CC[NH+](C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000835027308 634326377 /nfs/dbraw/zinc/32/63/77/634326377.db2.gz LBEUNZAGNNXXOR-SNAWJCMRSA-N 1 0 288.435 3.124 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+]CCc2cscn2)cc1 ZINC000835041480 634329568 /nfs/dbraw/zinc/32/95/68/634329568.db2.gz XRKFXNCKJBVUEH-ONEGZZNKSA-N 1 0 287.432 3.055 20 10 CGCDRO CC(C)n1ccc(C[NH2+]C/C=C\c2ccc(N(C)C)cc2)n1 ZINC000835039728 634329649 /nfs/dbraw/zinc/32/96/49/634329649.db2.gz JFCKJXRGOIIVFV-WAYWQWQTSA-N 1 0 298.434 3.333 20 10 CGCDRO CCOC[C@@H]([NH2+]C/C=C/c1ccc(N(C)C)cc1)C(C)C ZINC000835051193 634336926 /nfs/dbraw/zinc/33/69/26/634336926.db2.gz XCWKDDLSUFIRTD-LKGOPFMKSA-N 1 0 290.451 3.417 20 10 CGCDRO CC[C@@](C)(C[NH2+]C/C=C/c1ccc(N(C)C)cc1)OC ZINC000835053863 634337712 /nfs/dbraw/zinc/33/77/12/634337712.db2.gz FNFSOQUEXKPGDE-OZSKJFCKSA-N 1 0 276.424 3.171 20 10 CGCDRO CCC[C@H](C[NH2+]C/C=C\c1ccc(N(C)C)cc1)OC ZINC000835054689 634338447 /nfs/dbraw/zinc/33/84/47/634338447.db2.gz MENNXNZIIOGJEL-BQLWYNFJSA-N 1 0 276.424 3.171 20 10 CGCDRO Cc1cc([C@H]2CCC[N@@H+]2Cc2ccc(C)cc2O)on1 ZINC000876617767 634868592 /nfs/dbraw/zinc/86/85/92/634868592.db2.gz UWFZKBSMJXXGEU-CQSZACIVSA-N 1 0 272.348 3.334 20 10 CGCDRO Cc1ccc(CNc2cccc(C[NH+](C)C)c2)c(O)c1 ZINC000876822540 634907751 /nfs/dbraw/zinc/90/77/51/634907751.db2.gz ASJXXKNNALZJHO-UHFFFAOYSA-N 1 0 270.376 3.374 20 10 CGCDRO CCN(C)c1ccccc1C[NH2+]Cc1ccc(C)cc1O ZINC000877011371 634950145 /nfs/dbraw/zinc/95/01/45/634950145.db2.gz BJBIFLVUXOQBRO-UHFFFAOYSA-N 1 0 284.403 3.447 20 10 CGCDRO Cc1ccc(C[NH2+][C@H]2CCc3c2cccc3O)c(O)c1 ZINC000877023834 634953576 /nfs/dbraw/zinc/95/35/76/634953576.db2.gz HBRUOXZDBFNYFK-HNNXBMFYSA-N 1 0 269.344 3.183 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H]2CCc3c2cccc3O)c(O)c1 ZINC000877023835 634953746 /nfs/dbraw/zinc/95/37/46/634953746.db2.gz HBRUOXZDBFNYFK-OAHLLOKOSA-N 1 0 269.344 3.183 20 10 CGCDRO CO[C@@H](C[NH2+]CCCSc1nccs1)CC(C)C ZINC000877061509 634967860 /nfs/dbraw/zinc/96/78/60/634967860.db2.gz JORQDAAQACUOFI-GFCCVEGCSA-N 1 0 288.482 3.276 20 10 CGCDRO Cc1cnc(C(C)(C)[NH2+]Cc2ccc(C)cc2O)s1 ZINC000877080595 634977038 /nfs/dbraw/zinc/97/70/38/634977038.db2.gz FITYNHILISOYKG-UHFFFAOYSA-N 1 0 276.405 3.490 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]CC(C)(C)[C@@H]1CCCCO1 ZINC000877087433 634980148 /nfs/dbraw/zinc/98/01/48/634980148.db2.gz LTBJRWLRIKEDPB-INIZCTEOSA-N 1 0 277.408 3.386 20 10 CGCDRO Cc1ccc(C[NH2+]C[C@@H](C[C@@H](C)O)c2ccccc2)c(O)c1 ZINC000877093300 634981834 /nfs/dbraw/zinc/98/18/34/634981834.db2.gz HXRKACGIMITRPJ-CRAIPNDOSA-N 1 0 299.414 3.345 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]C[C@@H](C[C@H](C)O)c1ccccc1 ZINC000877093202 634982553 /nfs/dbraw/zinc/98/25/53/634982553.db2.gz FVSJREMXGUMCQB-DOTOQJQBSA-N 1 0 299.414 3.345 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000877399152 635034726 /nfs/dbraw/zinc/03/47/26/635034726.db2.gz KXVCSAFBRAQMKQ-LJQANCHMSA-N 1 0 295.382 3.332 20 10 CGCDRO COC1(C[NH2+]Cc2c(C)cccc2O)CCCCC1 ZINC000877408759 635037144 /nfs/dbraw/zinc/03/71/44/635037144.db2.gz SYMYQHRLXVYOOW-UHFFFAOYSA-N 1 0 263.381 3.140 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@@H]1C[C@@H]1C ZINC000840718087 635041312 /nfs/dbraw/zinc/04/13/12/635041312.db2.gz LGVIZOMMVPYHJD-QGTPRVQTSA-N 1 0 288.435 3.047 20 10 CGCDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCOc2c(F)cccc21 ZINC000877462440 635046555 /nfs/dbraw/zinc/04/65/55/635046555.db2.gz QXBYLDGPLDDULG-OAHLLOKOSA-N 1 0 287.334 3.453 20 10 CGCDRO Cc1cccc(O)c1C[N@H+]1CCSCC[C@H]1C ZINC000877473308 635049361 /nfs/dbraw/zinc/04/93/61/635049361.db2.gz GFWLOFLYJQSVEI-GFCCVEGCSA-N 1 0 251.395 3.028 20 10 CGCDRO Cc1ccc(C[N@H+]2CCSCC[C@H]2C)c(O)c1 ZINC000877473561 635051171 /nfs/dbraw/zinc/05/11/71/635051171.db2.gz JTXFKEBNTJAGIB-GFCCVEGCSA-N 1 0 251.395 3.028 20 10 CGCDRO CCCN(Cc1ccc(Cl)nn1)c1ccc(C[NH3+])cc1 ZINC000877479257 635052651 /nfs/dbraw/zinc/05/26/51/635052651.db2.gz UWSVYNHAEFZFOM-UHFFFAOYSA-N 1 0 290.798 3.005 20 10 CGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@H](C)[C@H]1CC1(F)F ZINC000877479635 635052722 /nfs/dbraw/zinc/05/27/22/635052722.db2.gz VNCUPJKGXAPLSW-BXUZGUMPSA-N 1 0 268.351 3.405 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2ccc3c(n2)CCCC3)c(O)c1 ZINC000877479324 635052810 /nfs/dbraw/zinc/05/28/10/635052810.db2.gz AUKPBXHTTMNVPH-UHFFFAOYSA-N 1 0 282.387 3.264 20 10 CGCDRO Cc1cccc(O)c1C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000877486342 635056042 /nfs/dbraw/zinc/05/60/42/635056042.db2.gz ICVPISUWLUNPNC-CMPLNLGQSA-N 1 0 273.298 3.473 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)c1ccn(C)n1)c1ccc(N(C)C)cc1 ZINC000840818419 635058486 /nfs/dbraw/zinc/05/84/86/635058486.db2.gz XUSQHYJLENXJQY-CJNGLKHVSA-N 1 0 286.423 3.288 20 10 CGCDRO COCC[C@@H](C)C[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000840836306 635061837 /nfs/dbraw/zinc/06/18/37/635061837.db2.gz XVDVLCWACVHCKH-BXUZGUMPSA-N 1 0 265.397 3.332 20 10 CGCDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000840845514 635063477 /nfs/dbraw/zinc/06/34/77/635063477.db2.gz AWKMVVSLWBOSEL-MDZRGWNJSA-N 1 0 295.382 3.282 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCC(=O)OC(C)(C)C)c(Cl)c1 ZINC000840898950 635077896 /nfs/dbraw/zinc/07/78/96/635077896.db2.gz HUQYUINXQHECJX-UHFFFAOYSA-N 1 0 299.798 3.175 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@](C)(O)c1ccccc1 ZINC000840933121 635084936 /nfs/dbraw/zinc/08/49/36/635084936.db2.gz AQLIPDSOLDIWNG-LJQANCHMSA-N 1 0 298.430 3.058 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)c(Cl)c1 ZINC000840943313 635088653 /nfs/dbraw/zinc/08/86/53/635088653.db2.gz LHDZKXHGKQNEAM-GOEBONIOSA-N 1 0 295.810 3.497 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C[C@H]2CCC[C@@H]2C2CC2)c1 ZINC000840954338 635092204 /nfs/dbraw/zinc/09/22/04/635092204.db2.gz HLBAOLBZMDLQRT-CZUORRHYSA-N 1 0 275.392 3.317 20 10 CGCDRO Oc1ccc(F)cc1C[N@@H+]1CCSC2(CCC2)CC1 ZINC000840954212 635092623 /nfs/dbraw/zinc/09/26/23/635092623.db2.gz FBJMZQGZFIMWBU-UHFFFAOYSA-N 1 0 281.396 3.393 20 10 CGCDRO COCC[C@@H](C)C[NH2+]Cc1ccc2ccccc2c1O ZINC000840955899 635092992 /nfs/dbraw/zinc/09/29/92/635092992.db2.gz ZZUIVVQQGNVXJU-CYBMUJFWSA-N 1 0 273.376 3.308 20 10 CGCDRO COCC[C@@H](C)C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000840955891 635093551 /nfs/dbraw/zinc/09/35/51/635093551.db2.gz ZWKLGRIIXJERQN-IYKSTZQJSA-N 1 0 276.424 3.028 20 10 CGCDRO CCOCc1cc(C[NH2+][C@H]2CS[C@@H](C)C2)ccc1OC ZINC000840959652 635094221 /nfs/dbraw/zinc/09/42/21/635094221.db2.gz XXVXOSXKNDZWSC-SWLSCSKDSA-N 1 0 295.448 3.215 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]C[C@H](C)CC(F)(F)F)c1 ZINC000840964388 635094783 /nfs/dbraw/zinc/09/47/83/635094783.db2.gz RMVXJTGIOBNUHX-SNVBAGLBSA-N 1 0 291.313 3.469 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2C[C@@H](C)O[C@@H]2C)cc1 ZINC000840962419 635094810 /nfs/dbraw/zinc/09/48/10/635094810.db2.gz BMNJAOYBEOBLRN-INMHGKMJSA-N 1 0 290.451 3.436 20 10 CGCDRO COC1([C@@H](C)[NH2+]Cc2cc(Cl)cc(C)c2O)CCC1 ZINC000840969217 635096146 /nfs/dbraw/zinc/09/61/46/635096146.db2.gz CHILRJFRSYAEJL-LLVKDONJSA-N 1 0 283.799 3.401 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@@H](C)COC(C)C ZINC000840975680 635099286 /nfs/dbraw/zinc/09/92/86/635099286.db2.gz JTDSMCRSBPHFJX-CVEARBPZSA-N 1 0 292.467 3.395 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2cnc(C)cc2C)c(O)c1 ZINC000877574985 635099327 /nfs/dbraw/zinc/09/93/27/635099327.db2.gz BHXKOAHPZUUQTG-UHFFFAOYSA-N 1 0 256.349 3.002 20 10 CGCDRO Cc1cnc(C[NH2+][C@@H](C)Cc2ccc(N(C)C)cc2C)o1 ZINC000877591203 635105267 /nfs/dbraw/zinc/10/52/67/635105267.db2.gz BIUCKAMGXIWZEU-ZDUSSCGKSA-N 1 0 287.407 3.078 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCc2ccc(N)cc2)c(Cl)c1 ZINC000841038477 635111046 /nfs/dbraw/zinc/11/10/46/635111046.db2.gz KGOQVVKUNXUDOL-UHFFFAOYSA-N 1 0 290.794 3.269 20 10 CGCDRO CC(C)c1cnc(C[NH2+]CCc2ccc(N)cc2)s1 ZINC000841036967 635111297 /nfs/dbraw/zinc/11/12/97/635111297.db2.gz XIOXOHBJMHWDPU-UHFFFAOYSA-N 1 0 275.421 3.181 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](N)c2ccccc2)cc1 ZINC000841037456 635111318 /nfs/dbraw/zinc/11/13/18/635111318.db2.gz QOUGWZPIQHWKHM-LJQANCHMSA-N 1 0 297.446 3.322 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]Cc1cc(C2CC2)no1 ZINC000877612561 635112400 /nfs/dbraw/zinc/11/24/00/635112400.db2.gz KWAOKXDSOKBJOZ-UHFFFAOYSA-N 1 0 278.739 3.201 20 10 CGCDRO CC[NH2+]Cc1cccc(NCc2cccc(OC)c2O)c1 ZINC000841041830 635113212 /nfs/dbraw/zinc/11/32/12/635113212.db2.gz BDHKSAUZHYVVOU-UHFFFAOYSA-N 1 0 286.375 3.122 20 10 CGCDRO [NH3+]C1(C[NH2+]Cc2cccc(Cl)c2[O-])CCCCCC1 ZINC000841041885 635113265 /nfs/dbraw/zinc/11/32/65/635113265.db2.gz BTQGQUVSEZIMCX-UHFFFAOYSA-N 1 0 282.815 3.187 20 10 CGCDRO C[NH2+]Cc1cccc(NCc2ccc(N(C)C)cc2)c1 ZINC000841043771 635113449 /nfs/dbraw/zinc/11/34/49/635113449.db2.gz UABXEHIUYUPQEO-UHFFFAOYSA-N 1 0 269.392 3.084 20 10 CGCDRO C[C@H](CC1CCCC1)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000841046128 635114808 /nfs/dbraw/zinc/11/48/08/635114808.db2.gz WSGDMBLKFBJZPO-KDOFPFPSSA-N 1 0 289.467 3.311 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H](C2CC2)[C@H]2CCCCO2)c(O)c1 ZINC000877616771 635114880 /nfs/dbraw/zinc/11/48/80/635114880.db2.gz HHIOESFNJZMKKT-SJORKVTESA-N 1 0 275.392 3.138 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCCC(F)(F)CC2)c(O)c1 ZINC000877652703 635133123 /nfs/dbraw/zinc/13/31/23/635133123.db2.gz LRXCSYBJQKUFTD-UHFFFAOYSA-N 1 0 255.308 3.322 20 10 CGCDRO CCC1([NH+](C)C)CC[NH+](Cc2ccc(C)cc2O)CC1 ZINC000877690321 635148022 /nfs/dbraw/zinc/14/80/22/635148022.db2.gz QUDRJVRKRYUUPS-UHFFFAOYSA-N 1 0 276.424 3.007 20 10 CGCDRO COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccccc2O)[C@@H]1C ZINC000877755443 635184547 /nfs/dbraw/zinc/18/45/47/635184547.db2.gz BMEGREYUNLGWEZ-CXTNEJHOSA-N 1 0 291.391 3.021 20 10 CGCDRO CC[C@@H](C)[C@H](C[NH2+][C@@H](C)c1ccccc1O)OC ZINC000877758335 635187670 /nfs/dbraw/zinc/18/76/70/635187670.db2.gz TVISGQGDAXGWMA-XUJVJEKNSA-N 1 0 251.370 3.104 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCOC2CCCC2)c1 ZINC000104432535 635199706 /nfs/dbraw/zinc/19/97/06/635199706.db2.gz ACZXQENVXSHWAQ-CYBMUJFWSA-N 1 0 263.381 3.310 20 10 CGCDRO Cc1ccc(C[N@@H+]2CC[C@](C)(C(F)(F)F)C2)c(O)c1 ZINC000877810786 635213486 /nfs/dbraw/zinc/21/34/86/635213486.db2.gz MTPPGRRSBMGANP-ZDUSSCGKSA-N 1 0 273.298 3.475 20 10 CGCDRO CCN(CC[NH2+][C@@H](C)c1ccc(Cl)cc1O)C(C)C ZINC000841748044 635224323 /nfs/dbraw/zinc/22/43/23/635224323.db2.gz VMLUIHVLSIVMBW-LBPRGKRZSA-N 1 0 284.831 3.427 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCN(CC2CC2)C1)c1ccc(Cl)cc1O ZINC000841764114 635232784 /nfs/dbraw/zinc/23/27/84/635232784.db2.gz PFEXADVTFPNQHH-FZMZJTMJSA-N 1 0 294.826 3.181 20 10 CGCDRO CC(C)(C)O[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000842761229 635463947 /nfs/dbraw/zinc/46/39/47/635463947.db2.gz UGTNMLAOCPOWOU-GASCZTMLSA-N 1 0 275.392 3.057 20 10 CGCDRO C=C/C=C\CC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000878358062 635473965 /nfs/dbraw/zinc/47/39/65/635473965.db2.gz LBGNFIRMNIQIAF-YIEVGGLXSA-N 1 0 286.419 3.306 20 10 CGCDRO CC[C@H](C)C[C@H](CO)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000842920757 635511602 /nfs/dbraw/zinc/51/16/02/635511602.db2.gz ZYDGGTVOVXQKRR-GMXVVIOVSA-N 1 0 285.815 3.493 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1CC2(CCC2)CO1)c1ccc(N(C)C)cc1 ZINC000878455304 635513593 /nfs/dbraw/zinc/51/35/93/635513593.db2.gz VXVGEZPZRXTAJY-PBHICJAKSA-N 1 0 288.435 3.362 20 10 CGCDRO COc1ccc(N(C)CCC2CC[NH2+]CC2)cc1Cl ZINC000843359444 635653652 /nfs/dbraw/zinc/65/36/52/635653652.db2.gz VZFNVVKCQZPGRR-UHFFFAOYSA-N 1 0 282.815 3.175 20 10 CGCDRO Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](OC(C)C)C2)c1O ZINC000843413430 635661074 /nfs/dbraw/zinc/66/10/74/635661074.db2.gz IYVGBZOCAIZZAY-CQSZACIVSA-N 1 0 283.799 3.353 20 10 CGCDRO CC[N@H+](CCSC)Cc1cc(Cl)cc(OC)c1O ZINC000843437554 635676610 /nfs/dbraw/zinc/67/66/10/635676610.db2.gz LKKAFQYFZIYFAN-UHFFFAOYSA-N 1 0 289.828 3.239 20 10 CGCDRO CCCCCC[C@H](O)C[NH2+][C@@H](C)c1ccccc1O ZINC000879650333 635826312 /nfs/dbraw/zinc/82/63/12/635826312.db2.gz VMDOUHWMZCUPJK-KBPBESRZSA-N 1 0 265.397 3.374 20 10 CGCDRO Cc1cccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccccc2O)c1 ZINC000879653505 635827677 /nfs/dbraw/zinc/82/76/77/635827677.db2.gz QQSYMWWLKDJAHI-UONOGXRCSA-N 1 0 298.386 3.378 20 10 CGCDRO Cc1cc(C)cc(NC(=O)C[NH2+][C@@H](C)c2ccccc2O)c1 ZINC000879651150 635828167 /nfs/dbraw/zinc/82/81/67/635828167.db2.gz KCRRLLPNOFMKPM-AWEZNQCLSA-N 1 0 298.386 3.298 20 10 CGCDRO CC[N@H+](Cc1ccc(N(C)C)c(C)c1)[C@@H]1CCCOC1 ZINC000844401751 635891628 /nfs/dbraw/zinc/89/16/28/635891628.db2.gz MPKXPGKWYVWVOQ-MRXNPFEDSA-N 1 0 276.424 3.062 20 10 CGCDRO c1csc(SCCC[NH2+][C@H]2CCCSC2)n1 ZINC000128278504 635932099 /nfs/dbraw/zinc/93/20/99/635932099.db2.gz UQZLFSMCIMFPQB-JTQLQIEISA-N 1 0 274.480 3.111 20 10 CGCDRO COc1cc(C[NH+]2CCC3(CC3(F)F)CC2)c(O)cc1C ZINC000844728084 635957692 /nfs/dbraw/zinc/95/76/92/635957692.db2.gz KARZHYVAHBXGER-UHFFFAOYSA-N 1 0 297.345 3.330 20 10 CGCDRO C[C@H]([NH2+][C@H]1CNc2ccccc2C1)c1ccc(N(C)C)cc1 ZINC000844919325 635983399 /nfs/dbraw/zinc/98/33/99/635983399.db2.gz FFESJZWZPGPAOT-WMLDXEAASA-N 1 0 295.430 3.440 20 10 CGCDRO C[C@@H]1CC([NH2+]Cc2c(O)cccc2Cl)C[C@@H](C)O1 ZINC000128636714 636051595 /nfs/dbraw/zinc/05/15/95/636051595.db2.gz XJDZCLOHUFQPQC-NXEZZACHSA-N 1 0 269.772 3.091 20 10 CGCDRO CCn1cc(C[N@H+](Cc2cccc(C)c2O)C(C)C)cn1 ZINC000846054426 636139379 /nfs/dbraw/zinc/13/93/79/636139379.db2.gz AZBXGHWLTKJPGS-UHFFFAOYSA-N 1 0 287.407 3.328 20 10 CGCDRO Cc1cc(Cl)cc(C[NH+]2CCC([C@H](C)CO)CC2)c1O ZINC000846058707 636140550 /nfs/dbraw/zinc/14/05/50/636140550.db2.gz RXTSCAPLWNTDMP-GFCCVEGCSA-N 1 0 297.826 3.194 20 10 CGCDRO C[C@@H](CCO)[N@H+](C)Cc1cc(-c2ccccc2)ccc1O ZINC000846112655 636145668 /nfs/dbraw/zinc/14/56/68/636145668.db2.gz WEXFOWTZRJPKHQ-AWEZNQCLSA-N 1 0 285.387 3.262 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@H](C)c2c(C)noc2C)c1O ZINC000846144359 636149225 /nfs/dbraw/zinc/14/92/25/636149225.db2.gz KNWJXLLMHBWPOO-VHSXEESVSA-N 1 0 290.363 3.417 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+][C@H](C)CC(C)(C)OC)c1O ZINC000846143549 636149435 /nfs/dbraw/zinc/14/94/35/636149435.db2.gz COCXOGRJSMSOQV-VXGBXAGGSA-N 1 0 281.396 3.255 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]Cc2cnc(C)s2)c1O ZINC000846147765 636149698 /nfs/dbraw/zinc/14/96/98/636149698.db2.gz VXKMUCWVEMRPFH-VIFPVBQESA-N 1 0 278.377 3.017 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)CCSC)c1O ZINC000846145867 636149736 /nfs/dbraw/zinc/14/97/36/636149736.db2.gz PKWMZCATWJGZIX-WDEREUQCSA-N 1 0 269.410 3.193 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@](C)(O)CCC(C)C)c1O ZINC000846145527 636149795 /nfs/dbraw/zinc/14/97/95/636149795.db2.gz OGSCTRSTFCOJSO-SUMWQHHRSA-N 1 0 295.423 3.239 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc(Cl)o2)c1O ZINC000846158734 636150331 /nfs/dbraw/zinc/15/03/31/636150331.db2.gz KHIUJNYEIFPQSG-SECBINFHSA-N 1 0 281.739 3.498 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@H]2COc3ccc(C)cc32)c1O ZINC000846153085 636150387 /nfs/dbraw/zinc/15/03/87/636150387.db2.gz FPBYARRRCYRUMU-WFASDCNBSA-N 1 0 299.370 3.494 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@H]2CCO[C@H](C3CC3)C2)c1O ZINC000846165691 636151174 /nfs/dbraw/zinc/15/11/74/636151174.db2.gz XQGSEHQSBOFHRZ-RBOXIYTFSA-N 1 0 291.391 3.009 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]CC2(OC)CCCC2)c1O ZINC000846168611 636151995 /nfs/dbraw/zinc/15/19/95/636151995.db2.gz BJJBOLMWLJAZSZ-LBPRGKRZSA-N 1 0 279.380 3.011 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+][C@H](C)C2(OC)CCC2)c1O ZINC000846171055 636152698 /nfs/dbraw/zinc/15/26/98/636152698.db2.gz CTEKLTUPAKBEBC-VXGBXAGGSA-N 1 0 279.380 3.009 20 10 CGCDRO CCc1nc(C)c(C[NH2+][C@@H](C)c2cccc(OC)c2O)o1 ZINC000846170451 636153042 /nfs/dbraw/zinc/15/30/42/636153042.db2.gz NZTSYOCEBKRZBU-JTQLQIEISA-N 1 0 290.363 3.110 20 10 CGCDRO CCOC(=O)CC[N@H+](Cc1cc(C)cc(C)c1O)C(C)C ZINC000848502862 636582022 /nfs/dbraw/zinc/58/20/22/636582022.db2.gz YJRNRCHWDOCUFL-UHFFFAOYSA-N 1 0 293.407 3.173 20 10 CGCDRO CCOC(=O)CC[N@H+](Cc1cc(C)c(C)cc1O)C(C)C ZINC000848502390 636582117 /nfs/dbraw/zinc/58/21/17/636582117.db2.gz RXJMCIKRPFVNCM-UHFFFAOYSA-N 1 0 293.407 3.173 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+][C@H](C)Cc2ccccn2)c1O ZINC000848564772 636608659 /nfs/dbraw/zinc/60/86/59/636608659.db2.gz IAMDMEXLHIGOBZ-CHWSQXEVSA-N 1 0 286.375 3.078 20 10 CGCDRO COC[C@@H](CC(C)(C)C)[NH2+]Cc1cc(C)ccc1O ZINC000848566727 636609734 /nfs/dbraw/zinc/60/97/34/636609734.db2.gz GYROIZQESVJLLW-CQSZACIVSA-N 1 0 265.397 3.241 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCCN2CCCC[C@@H]12)c1cc(F)ccc1O ZINC000848568211 636610334 /nfs/dbraw/zinc/61/03/34/636610334.db2.gz BMLXIJRBMHNATB-MAZHCROVSA-N 1 0 292.398 3.199 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cc(C)ccc1O)[C@@H]1CCCCO1 ZINC000848575545 636614242 /nfs/dbraw/zinc/61/42/42/636614242.db2.gz SCGMAQCKYNDTGH-ZBFHGGJFSA-N 1 0 263.381 3.138 20 10 CGCDRO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]Cc1cccc(OC)c1O ZINC000131429965 636652600 /nfs/dbraw/zinc/65/26/00/636652600.db2.gz LDWICUGHPBWARN-LSDHHAIUSA-N 1 0 293.407 3.084 20 10 CGCDRO CCc1cccc(C[N@H+](C)Cc2cccc(O)c2)c1O ZINC000848876447 636669611 /nfs/dbraw/zinc/66/96/11/636669611.db2.gz JMZBYRFEMRLIGF-UHFFFAOYSA-N 1 0 271.360 3.292 20 10 CGCDRO CCc1cccc(C[NH2+]CCc2cccc(OC)c2)c1O ZINC000848893255 636679164 /nfs/dbraw/zinc/67/91/64/636679164.db2.gz AHIZXNXXBUFNLG-UHFFFAOYSA-N 1 0 285.387 3.296 20 10 CGCDRO CCc1cnc(CC[NH2+]Cc2cccc(CC)c2O)s1 ZINC000848897000 636679694 /nfs/dbraw/zinc/67/96/94/636679694.db2.gz CQHPLGRBJDOOKD-UHFFFAOYSA-N 1 0 290.432 3.306 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)c1O ZINC000848897458 636679987 /nfs/dbraw/zinc/67/99/87/636679987.db2.gz JEOUPZSWYPURKH-OIISXLGYSA-N 1 0 289.419 3.248 20 10 CGCDRO CCc1cccc(C[NH2+][C@H](C)[C@@H](O)Cc2ccccc2)c1O ZINC000848898843 636680646 /nfs/dbraw/zinc/68/06/46/636680646.db2.gz HTYDVHVXOBIYON-KDOFPFPSSA-N 1 0 299.414 3.036 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCC[C@H]2c2ncc[nH]2)c1O ZINC000848903399 636682716 /nfs/dbraw/zinc/68/27/16/636682716.db2.gz RWCGNKMBLIKOLG-AWEZNQCLSA-N 1 0 271.364 3.015 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@]2(C)CCO[C@@H]2C2CC2)c1O ZINC000848903828 636683459 /nfs/dbraw/zinc/68/34/59/636683459.db2.gz ZYVFGSNQJQIOAK-MSOLQXFVSA-N 1 0 289.419 3.249 20 10 CGCDRO CCc1cccc(C[NH2+][C@H](C)[C@H](O)c2ccc(C)cc2)c1O ZINC000848910917 636686499 /nfs/dbraw/zinc/68/64/99/636686499.db2.gz OIMOCZDKAPEZEL-KDOFPFPSSA-N 1 0 299.414 3.475 20 10 CGCDRO CCc1cccc(C[NH2+][C@H](C)[C@@H](O)c2ccc(C)cc2)c1O ZINC000848910921 636686651 /nfs/dbraw/zinc/68/66/51/636686651.db2.gz OIMOCZDKAPEZEL-RDTXWAMCSA-N 1 0 299.414 3.475 20 10 CGCDRO CCc1cccc(C[N@@H+]2CC[C@H](OC)C(C)(C)C2)c1O ZINC000848915786 636689608 /nfs/dbraw/zinc/68/96/08/636689608.db2.gz LZQTVTZQQQIAGI-HNNXBMFYSA-N 1 0 277.408 3.202 20 10 CGCDRO CCc1cccc(C[N@H+](C)[C@@H](CO)c2ccccc2)c1O ZINC000848916322 636689649 /nfs/dbraw/zinc/68/96/49/636689649.db2.gz SSFHYLZFWKOOMY-KRWDZBQOSA-N 1 0 285.387 3.120 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H]1CCN1CC)c1cc(Cl)ccc1O ZINC000883355673 636697218 /nfs/dbraw/zinc/69/72/18/636697218.db2.gz WAEGFWBSSUBDQI-JSGCOSHPSA-N 1 0 282.815 3.181 20 10 CGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)c3cccnc3)C2)cc1 ZINC000849323509 636810323 /nfs/dbraw/zinc/81/03/23/636810323.db2.gz YSGSLXMWXVJWEM-GOEBONIOSA-N 1 0 297.402 3.020 20 10 CGCDRO COc1cccc(C[N@@H+]2CCCc3ccccc3C2)c1O ZINC000133967214 636991176 /nfs/dbraw/zinc/99/11/76/636991176.db2.gz MHFWVDALDVUSLT-UHFFFAOYSA-N 1 0 283.371 3.349 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CC2(O)CCCCC2)cc1 ZINC000134041875 636995929 /nfs/dbraw/zinc/99/59/29/636995929.db2.gz IMAFNYJPGJONKN-OAHLLOKOSA-N 1 0 290.451 3.489 20 10 CGCDRO CCC[C@H](C)C[NH2+][C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850347832 637022633 /nfs/dbraw/zinc/02/26/33/637022633.db2.gz YMJCXGSWMKDZAI-GJZGRUSLSA-N 1 0 276.424 3.300 20 10 CGCDRO CCOc1ccc(C[NH2+]CC[C@@H](C)CC)c(O)c1 ZINC000850355682 637025074 /nfs/dbraw/zinc/02/50/74/637025074.db2.gz LUGXPNXFMWMZNX-LBPRGKRZSA-N 1 0 251.370 3.317 20 10 CGCDRO CCOc1cccc(C[NH2+]CCC2(CSC)CC2)c1O ZINC000850356873 637025701 /nfs/dbraw/zinc/02/57/01/637025701.db2.gz ZULZUBSZNNBUGZ-UHFFFAOYSA-N 1 0 295.448 3.414 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCc2cnccc2C)c(Cl)c1 ZINC000850356150 637026206 /nfs/dbraw/zinc/02/62/06/637026206.db2.gz RVYOKGWSJAEOOA-UHFFFAOYSA-N 1 0 290.794 3.390 20 10 CGCDRO Oc1ccccc1C[NH2+][C@@H]1CSc2ccccc21 ZINC000134763865 637036775 /nfs/dbraw/zinc/03/67/75/637036775.db2.gz XADZQYDQWKHMLG-CYBMUJFWSA-N 1 0 257.358 3.329 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+]CCC(C)(C)F)cc1 ZINC000850374686 637037191 /nfs/dbraw/zinc/03/71/91/637037191.db2.gz NBTKWOYSYKCKEN-WAYWQWQTSA-N 1 0 264.388 3.494 20 10 CGCDRO CCC(C)(C)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850406198 637051020 /nfs/dbraw/zinc/05/10/20/637051020.db2.gz WWWFREKVMATEEH-UHFFFAOYSA-N 1 0 290.451 3.174 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCC2SCCS2)cc1C ZINC000850407247 637051107 /nfs/dbraw/zinc/05/11/07/637051107.db2.gz WGXLQNDPXYSTGB-UHFFFAOYSA-N 1 0 283.462 3.295 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@@H]2CCOC2(C)C)cc1 ZINC000850409167 637051479 /nfs/dbraw/zinc/05/14/79/637051479.db2.gz MQWSEKKKAHGKFY-KJPDOMRESA-N 1 0 288.435 3.171 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]CCCc2ccco2)c1 ZINC000850408058 637051524 /nfs/dbraw/zinc/05/15/24/637051524.db2.gz WRWVTCHANWMBOH-UHFFFAOYSA-N 1 0 275.348 3.106 20 10 CGCDRO c1cc2n(n1)CCC[C@@H]2[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000850422994 637055708 /nfs/dbraw/zinc/05/57/08/637055708.db2.gz KMIFNHQUJDVDKY-KRWDZBQOSA-N 1 0 296.418 3.108 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1COC(C)(C)C1)c1ccc(Cl)cc1O ZINC000850481967 637085349 /nfs/dbraw/zinc/08/53/49/637085349.db2.gz LMDIHMMHVCLDLD-KOLCDFICSA-N 1 0 269.772 3.264 20 10 CGCDRO COC1CC(CC[NH2+][C@@H](C)c2ccc(C)cc2O)C1 ZINC000850482215 637085974 /nfs/dbraw/zinc/08/59/74/637085974.db2.gz MTIKSNDDEXKSMF-HSBZDZAISA-N 1 0 263.381 3.166 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1)C1CCC1 ZINC000850485920 637086796 /nfs/dbraw/zinc/08/67/96/637086796.db2.gz CRDIPCVEVLWSSO-CRAIPNDOSA-N 1 0 288.435 3.442 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1)C(C)C ZINC000850488419 637087605 /nfs/dbraw/zinc/08/76/05/637087605.db2.gz MQOXREBUEZPNNN-RHSMWYFYSA-N 1 0 276.424 3.298 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+][C@H]3CC[C@H]3C(C)C)C2)cc1 ZINC000850488375 637087714 /nfs/dbraw/zinc/08/77/14/637087714.db2.gz MNNKVQMNMKSPQA-WBAXXEDZSA-N 1 0 288.435 3.298 20 10 CGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)C(C)(C)C)C2)cc1 ZINC000850489280 637089074 /nfs/dbraw/zinc/08/90/74/637089074.db2.gz SMRBYFXXBLGJJG-ZIAGYGMSSA-N 1 0 276.424 3.298 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC[C@@H]([S@](C)=O)C2)c1 ZINC000850503284 637093039 /nfs/dbraw/zinc/09/30/39/637093039.db2.gz VYMSLOXTQFWBDR-BSGIZYOKSA-N 1 0 295.448 3.041 20 10 CGCDRO Cc1ccncc1CC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000850506317 637094423 /nfs/dbraw/zinc/09/44/23/637094423.db2.gz IMILPBTZXBZBIE-OAHLLOKOSA-N 1 0 283.419 3.349 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1COC2(CCC2)C1)c1ccc(C)cc1O ZINC000850523263 637102373 /nfs/dbraw/zinc/10/23/73/637102373.db2.gz DXZZPHIGPDHGLH-DZGCQCFKSA-N 1 0 275.392 3.453 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](CO)CC1CC1)c1ccc(N(C)C)cc1 ZINC000850544071 637115595 /nfs/dbraw/zinc/11/55/95/637115595.db2.gz BYRGPQORVGSQEV-YJBOKZPZSA-N 1 0 290.451 3.202 20 10 CGCDRO C[C@H]([NH2+]C[C@@H](CO)CC1CC1)c1cc(Cl)ccc1O ZINC000850544771 637115988 /nfs/dbraw/zinc/11/59/88/637115988.db2.gz JSVSIMPOGCDVCA-JQWIXIFHSA-N 1 0 283.799 3.105 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H](CO)CC1CC1)c1cc(Cl)ccc1O ZINC000850544772 637116091 /nfs/dbraw/zinc/11/60/91/637116091.db2.gz JSVSIMPOGCDVCA-PWSUYJOCSA-N 1 0 283.799 3.105 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H](CO)CC2CC2)cc1 ZINC000850546439 637116829 /nfs/dbraw/zinc/11/68/29/637116829.db2.gz ZUTQACFGFFXBGQ-ZBFHGGJFSA-N 1 0 290.451 3.202 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2C[C@@H](O)C23CCC3)cc1 ZINC000850547750 637117083 /nfs/dbraw/zinc/11/70/83/637117083.db2.gz VRYCACOICYEWKC-IAOVAPTHSA-N 1 0 288.435 3.097 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1C(C)(C)C1(F)F)c1cc(F)ccc1O ZINC000850551953 637117599 /nfs/dbraw/zinc/11/75/99/637117599.db2.gz KSWRASZDTZPMAW-UFBFGSQYSA-N 1 0 273.298 3.473 20 10 CGCDRO Cc1cncc(CC[NH2+][C@H](C)c2ccc(C)c(C)c2O)n1 ZINC000850552083 637117799 /nfs/dbraw/zinc/11/77/99/637117799.db2.gz WQHRIGNDYCCYRX-CQSZACIVSA-N 1 0 285.391 3.001 20 10 CGCDRO C[C@@H]([NH2+]Cc1c(C2CCC2)cnn1C)c1ccccc1O ZINC000850552019 637118691 /nfs/dbraw/zinc/11/86/91/637118691.db2.gz UPGQNHKXLCEASK-GFCCVEGCSA-N 1 0 285.391 3.244 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](OC)C2CCCC2)c1 ZINC000850561943 637125595 /nfs/dbraw/zinc/12/55/95/637125595.db2.gz LSBXJAPKKOIVKA-SJCJKPOMSA-N 1 0 293.407 3.257 20 10 CGCDRO C[N@H+](CC(=O)c1c[nH]c2ccccc12)Cc1ccccc1O ZINC000109773553 637266903 /nfs/dbraw/zinc/26/69/03/637266903.db2.gz JBRQVRFOHXCXBY-UHFFFAOYSA-N 1 0 294.354 3.188 20 10 CGCDRO C[N@H+](CCC1CCC1)Cc1ccc(N2CCOCC2)cc1 ZINC000851717491 637474086 /nfs/dbraw/zinc/47/40/86/637474086.db2.gz MEBQBZYNTXGGNE-UHFFFAOYSA-N 1 0 288.435 3.145 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCc2cccnc21 ZINC000886529121 637554431 /nfs/dbraw/zinc/55/44/31/637554431.db2.gz WOLXZCNDXJXMQB-QGZVFWFLSA-N 1 0 281.403 3.233 20 10 CGCDRO C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1c([O-])cccc1F ZINC000886628677 637618581 /nfs/dbraw/zinc/61/85/81/637618581.db2.gz YTZSULFICQBBRM-PNESKVBLSA-N 1 0 280.387 3.055 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CC3(CCC3)CO2)c(O)c1 ZINC000886701541 637665099 /nfs/dbraw/zinc/66/50/99/637665099.db2.gz QYWADCBGJZKROS-ZIAGYGMSSA-N 1 0 275.392 3.310 20 10 CGCDRO CC[C@H]1C[N@H+](Cc2cc(C)c(C)cc2O)C[C@H](C)O1 ZINC000111167227 637783572 /nfs/dbraw/zinc/78/35/72/637783572.db2.gz VORMVXCREQSOSP-ZFWWWQNUSA-N 1 0 263.381 3.008 20 10 CGCDRO CCn1nccc1C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000853240267 637791055 /nfs/dbraw/zinc/79/10/55/637791055.db2.gz OHFSNGQSFHPQJE-MFKMUULPSA-N 1 0 289.354 3.086 20 10 CGCDRO COc1cccc(C[NH2+]C[C@@H]2CCc3ccccc32)c1O ZINC000111390667 637861489 /nfs/dbraw/zinc/86/14/89/637861489.db2.gz XOMKCAIDFSWCPG-AWEZNQCLSA-N 1 0 283.371 3.220 20 10 CGCDRO Nc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000854226699 638027534 /nfs/dbraw/zinc/02/75/34/638027534.db2.gz OEFOOEZHHWUQJG-JKSUJKDBSA-N 1 0 280.371 3.239 20 10 CGCDRO CC(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000112675788 638104446 /nfs/dbraw/zinc/10/44/46/638104446.db2.gz FFSRSGZGONGIRU-KGLIPLIRSA-N 1 0 291.391 3.425 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+]CC[C@@H]2CC2(F)F)cc1 ZINC000856802967 638391870 /nfs/dbraw/zinc/39/18/70/638391870.db2.gz WHKXSEATULCFCG-RDFMZFSFSA-N 1 0 280.362 3.401 20 10 CGCDRO Cc1cccc(C[NH2+]CC[C@H]2CC2(Cl)Cl)c1O ZINC000857065079 638448267 /nfs/dbraw/zinc/44/82/67/638448267.db2.gz IECFIJHJJDXTRZ-NSHDSACASA-N 1 0 274.191 3.374 20 10 CGCDRO COc1ccc(C[NH2+]Cc2ccccc2O)cc1OC1CC1 ZINC000858121247 638636781 /nfs/dbraw/zinc/63/67/81/638636781.db2.gz ZGEDFCGTYXRKLQ-UHFFFAOYSA-N 1 0 299.370 3.232 20 10 CGCDRO CCC[C@@H](C[NH2+][C@@H](C)c1cccc(OC)c1O)OCC ZINC000858451275 638722479 /nfs/dbraw/zinc/72/24/79/638722479.db2.gz QHGLAEZODLDIGD-STQMWFEESA-N 1 0 281.396 3.257 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H](CO)CCC(C)C)c(O)c1C ZINC000858484937 638736588 /nfs/dbraw/zinc/73/65/88/638736588.db2.gz GJPSXQOJEVIYHW-GJZGRUSLSA-N 1 0 279.424 3.457 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CO[C@@H](C3CC3)C2)cc1 ZINC000858545324 638758577 /nfs/dbraw/zinc/75/85/77/638758577.db2.gz CKNROCJOPVHRDX-FDQGKXFDSA-N 1 0 288.435 3.361 20 10 CGCDRO CC[C@@H]([NH2+][C@H]1c2ccccc2CC[C@H]1O)c1ccccc1O ZINC000927139557 638846790 /nfs/dbraw/zinc/84/67/90/638846790.db2.gz NHZYXNVMGLPEID-QRQLOZEOSA-N 1 0 297.398 3.481 20 10 CGCDRO COC(=O)[C@H]1CCCC[C@@H]1C[NH2+][C@H](C)c1ccccc1O ZINC000931555220 639169992 /nfs/dbraw/zinc/16/99/92/639169992.db2.gz VGHVPAZMWAPIJR-NFAWXSAZSA-N 1 0 291.391 3.022 20 10 CGCDRO CCN(C)c1ccc(C[NH2+][C@@H]2[C@H](C)O[C@H](C)[C@H]2C)cc1 ZINC000859829760 639232319 /nfs/dbraw/zinc/23/23/19/639232319.db2.gz IXIYABSLKXILMR-WVZRYYJFSA-N 1 0 276.424 3.044 20 10 CGCDRO Oc1cc2c(cc1C[NH2+]C1CCCCCCC1)OCO2 ZINC000042879177 639921990 /nfs/dbraw/zinc/92/19/90/639921990.db2.gz ZDQDCGRFSOTIRB-UHFFFAOYSA-N 1 0 277.364 3.323 20 10 CGCDRO C[C@@H]1CCCC[C@H]1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000042880576 639922537 /nfs/dbraw/zinc/92/25/37/639922537.db2.gz FRXBSBPFIKVNQF-NEPJUHHUSA-N 1 0 277.364 3.037 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)C1CC1 ZINC000155351490 639930684 /nfs/dbraw/zinc/93/06/84/639930684.db2.gz PHKDMEYTAFWFJZ-KSSFIOAISA-N 1 0 288.435 3.362 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2CC(C)(C)OC2(C)C)cc1C ZINC000155415141 639933385 /nfs/dbraw/zinc/93/33/85/639933385.db2.gz TXPGYVDEEHWKPL-HNNXBMFYSA-N 1 0 277.408 3.439 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H]1CCCCN1CC)c1ccccc1O ZINC000155780547 639947917 /nfs/dbraw/zinc/94/79/17/639947917.db2.gz MEIRAQNPNIEGIZ-GDBMZVCRSA-N 1 0 276.424 3.307 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)c1 ZINC000156100685 639964700 /nfs/dbraw/zinc/96/47/00/639964700.db2.gz AYLCMDWEFMAEBB-WFASDCNBSA-N 1 0 261.365 3.165 20 10 CGCDRO COc1cccc(C[NH2+][C@@H](C)Cc2ccsc2)c1O ZINC000049154613 640085635 /nfs/dbraw/zinc/08/56/35/640085635.db2.gz VZSOQWICYCRTKE-NSHDSACASA-N 1 0 277.389 3.183 20 10 CGCDRO C[C@H]([NH2+]CC1(CCO)CC1)c1cc2c(cc1O)CCCC2 ZINC000188057775 640117424 /nfs/dbraw/zinc/11/74/24/640117424.db2.gz SNUHVKRUWAXHFR-ZDUSSCGKSA-N 1 0 289.419 3.084 20 10 CGCDRO CCC[N@H+](CCCSC)Cc1ccccc1O ZINC000076074161 640173368 /nfs/dbraw/zinc/17/33/68/640173368.db2.gz MZNGLVTZOQCVFH-UHFFFAOYSA-N 1 0 253.411 3.357 20 10 CGCDRO COc1ccc(N2CC[C@H](C[NH2+]C3CCCC3)C2)cc1 ZINC000076361145 640194307 /nfs/dbraw/zinc/19/43/07/640194307.db2.gz VHXDUJBCFGBPQG-CQSZACIVSA-N 1 0 274.408 3.054 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)C[C@@H]2CCC[C@@H]2O)cc1 ZINC000091899968 640725983 /nfs/dbraw/zinc/72/59/83/640725983.db2.gz BFGWBDVZAKTZNT-WMZOPIPTSA-N 1 0 290.451 3.126 20 10 CGCDRO C[N@H+](Cc1cc(-c2ccccc2)n[nH]1)Cc1ccccc1O ZINC000091974749 640727636 /nfs/dbraw/zinc/72/76/36/640727636.db2.gz QFCANGNXURURAR-UHFFFAOYSA-N 1 0 293.370 3.414 20 10 CGCDRO COCC[N@H+](Cc1ccco1)Cc1cc(Cl)ccc1O ZINC000092562023 640741098 /nfs/dbraw/zinc/74/10/98/640741098.db2.gz PZBCCTBAQKEPNP-UHFFFAOYSA-N 1 0 295.766 3.287 20 10 CGCDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cc(F)ccc1O ZINC000094618031 640800185 /nfs/dbraw/zinc/80/01/85/640800185.db2.gz XDTHTONUEIWUDF-JTQLQIEISA-N 1 0 290.294 3.290 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CC[C@@H](C)[C@H](C)C2)c1 ZINC000251966669 640836426 /nfs/dbraw/zinc/83/64/26/640836426.db2.gz XXSHANNKQZOQPT-YRGRVCCFSA-N 1 0 263.381 3.315 20 10 CGCDRO Oc1ccccc1C[NH2+]Cc1sccc1Cl ZINC000303964564 640852331 /nfs/dbraw/zinc/85/23/31/640852331.db2.gz MZHMIOPQJYCSHN-UHFFFAOYSA-N 1 0 253.754 3.397 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccccc1CO)c1ccc(N(C)C)cc1 ZINC000305163443 640884313 /nfs/dbraw/zinc/88/43/13/640884313.db2.gz XRDGOEZDFUBEBU-CQSZACIVSA-N 1 0 284.403 3.096 20 10 CGCDRO CCCCC[C@@H](O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC001253554343 806252116 /nfs/dbraw/zinc/25/21/16/806252116.db2.gz LFVDMKPHGIYKQB-WMLDXEAASA-N 1 0 278.440 3.344 20 10 CGCDRO CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])C1 ZINC001254720985 806487082 /nfs/dbraw/zinc/48/70/82/806487082.db2.gz FGJVCEOTZTWQGH-NWDGAFQWSA-N 1 0 298.377 3.053 20 10 CGCDRO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(OC)c1O ZINC000037032062 798856729 /nfs/dbraw/zinc/85/67/29/798856729.db2.gz CQVSHYGNGZIKMJ-TZMCWYRMSA-N 1 0 263.381 3.459 20 10 CGCDRO C[C@@H](CN1CCCCC1)[NH2+]Cc1cc(Cl)ccc1O ZINC000037154195 798861243 /nfs/dbraw/zinc/86/12/43/798861243.db2.gz QBJDSCQTAMDOQG-LBPRGKRZSA-N 1 0 282.815 3.010 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCC(C)C)c1 ZINC000038093384 798885175 /nfs/dbraw/zinc/88/51/75/798885175.db2.gz CQMLMVWEKYHASS-GFCCVEGCSA-N 1 0 251.370 3.488 20 10 CGCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)C12CCC2 ZINC000087709141 798946807 /nfs/dbraw/zinc/94/68/07/798946807.db2.gz FUKGPZKGPCYFGF-IAGOWNOFSA-N 1 0 288.435 3.190 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CC1=CCCOC1 ZINC000379736159 799353259 /nfs/dbraw/zinc/35/32/59/799353259.db2.gz MHBCMGKTRXFGJQ-TZMCWYRMSA-N 1 0 273.376 3.185 20 10 CGCDRO COc1ccc(C[NH2+]C[C@H]2CCCSC2)cc1C ZINC000384125503 799411830 /nfs/dbraw/zinc/41/18/30/799411830.db2.gz KAKCSQYTUOFWOT-CQSZACIVSA-N 1 0 265.422 3.236 20 10 CGCDRO CCC[C@@H](C[NH2+][C@H](C)c1cc(C)ccc1O)OC ZINC000386043132 799430865 /nfs/dbraw/zinc/43/08/65/799430865.db2.gz FCDDIBCROHKQJS-OLZOCXBDSA-N 1 0 251.370 3.166 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H](CO)C1CCCC1 ZINC000386230409 799432585 /nfs/dbraw/zinc/43/25/85/799432585.db2.gz WYXQMGWBHQWBLY-SNPRPXQTSA-N 1 0 289.419 3.390 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@@H](CO)C1CCCC1 ZINC000386230417 799433317 /nfs/dbraw/zinc/43/33/17/799433317.db2.gz WYXQMGWBHQWBLY-YUELXQCFSA-N 1 0 289.419 3.390 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)[C@@H](OC)C1CC1)c1ccccc1O ZINC000388291504 799451764 /nfs/dbraw/zinc/45/17/64/799451764.db2.gz WNNCFEGZYWFJBM-DIOULYMOSA-N 1 0 263.381 3.246 20 10 CGCDRO Cc1cc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)ccn1 ZINC000391145962 799476300 /nfs/dbraw/zinc/47/63/00/799476300.db2.gz LCADADVYHRPXGK-AWEZNQCLSA-N 1 0 269.392 3.307 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)[C@@H]1CCCCO1 ZINC000393650424 799489657 /nfs/dbraw/zinc/48/96/57/799489657.db2.gz BJMJFZAHRUVNKQ-YJBOKZPZSA-N 1 0 288.435 3.334 20 10 CGCDRO Cc1cc(C)c(C[NH2+][C@@H]2CCc3cccc(O)c32)cn1 ZINC000396997562 799512112 /nfs/dbraw/zinc/51/21/12/799512112.db2.gz XZJPSEQNIHZMLT-OAHLLOKOSA-N 1 0 268.360 3.181 20 10 CGCDRO C[C@H](C[NH2+]Cc1cc(F)ccc1O)CC(F)(F)F ZINC000397053978 799513213 /nfs/dbraw/zinc/51/32/13/799513213.db2.gz VXUUKWOUPWUBQY-QMMMGPOBSA-N 1 0 265.250 3.209 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CS[C@H](C)C2)c1 ZINC000397970513 799524150 /nfs/dbraw/zinc/52/41/50/799524150.db2.gz MNROGYRCYXVFEO-WOPDTQHZSA-N 1 0 251.395 3.245 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCC[C@@H]2CCOC2)c1 ZINC000402012864 799559203 /nfs/dbraw/zinc/55/92/03/799559203.db2.gz BSRGVJARRQOVAY-ZIAGYGMSSA-N 1 0 263.381 3.168 20 10 CGCDRO C[C@@H]([NH2+]CCC[C@@H]1CCOC1)c1ccc(N(C)C)cc1 ZINC000402250824 799561105 /nfs/dbraw/zinc/56/11/05/799561105.db2.gz ABQPBHWHDZITAQ-HUUCEWRRSA-N 1 0 276.424 3.220 20 10 CGCDRO CC[C@H]([NH2+][C@H]1COC2(CCC2)C1)c1ccccc1O ZINC000688280975 799746161 /nfs/dbraw/zinc/74/61/61/799746161.db2.gz BFYWKDTZTVPQTB-OCCSQVGLSA-N 1 0 261.365 3.145 20 10 CGCDRO C[C@@H]1CCC[C@H](C[NH2+]Cc2c(O)cccc2Cl)O1 ZINC000688900960 799757739 /nfs/dbraw/zinc/75/77/39/799757739.db2.gz QBVMNECRGFRJEQ-GHMZBOCLSA-N 1 0 269.772 3.093 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@]1(C)CC1(F)F)c1ccccc1O ZINC000689213989 799762244 /nfs/dbraw/zinc/76/22/44/799762244.db2.gz LUQZEQPHTBXDHO-DGCLKSJQSA-N 1 0 255.308 3.478 20 10 CGCDRO Cc1ccc(CC[NH2+]Cc2c(O)cccc2Cl)nc1 ZINC000689472962 799764769 /nfs/dbraw/zinc/76/47/69/799764769.db2.gz WLWXRWAMXHPTNG-UHFFFAOYSA-N 1 0 276.767 3.081 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C)SC1)c1ccccc1O ZINC000689608172 799765804 /nfs/dbraw/zinc/76/58/04/799765804.db2.gz HCTZFSABFBWDAJ-GRYCIOLGSA-N 1 0 251.395 3.327 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@@H](CC(C)C)N(C)C)c1O ZINC000691472446 799783631 /nfs/dbraw/zinc/78/36/31/799783631.db2.gz DGUXCQUQJMKMNV-MRXNPFEDSA-N 1 0 278.440 3.021 20 10 CGCDRO CCc1cccc(C[NH2+]CCCc2nccs2)c1O ZINC000691436770 799783979 /nfs/dbraw/zinc/78/39/79/799783979.db2.gz IQWXZRQFKIXEFD-UHFFFAOYSA-N 1 0 276.405 3.134 20 10 CGCDRO C[C@H](C[NH2+][C@H]1CCc2cccc(O)c21)c1ccccn1 ZINC000692679879 799797026 /nfs/dbraw/zinc/79/70/26/799797026.db2.gz MOFHPPCYBNRCTB-DOMZBBRYSA-N 1 0 268.360 3.168 20 10 CGCDRO C[C@@H]([NH2+]C[C@H](C)c1ccccn1)c1ccccc1O ZINC000692761217 799799089 /nfs/dbraw/zinc/79/90/89/799799089.db2.gz LSWIGXFNJPXNFK-QWHCGFSZSA-N 1 0 256.349 3.242 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCN(C(C)(C)C)C2)c1 ZINC000693887806 799818163 /nfs/dbraw/zinc/81/81/63/799818163.db2.gz KHIDGJGYDXYEEH-KBPBESRZSA-N 1 0 276.424 3.224 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000694248171 799820826 /nfs/dbraw/zinc/82/08/26/799820826.db2.gz MJMBNWLLWUTIBM-ZWKOPEQDSA-N 1 0 251.757 3.324 20 10 CGCDRO CCC(C)(C)[C@H](C)[NH2+]Cc1cc(OC)ccc1O ZINC000695142409 799827056 /nfs/dbraw/zinc/82/70/56/799827056.db2.gz VAIXEXRGPXMIOR-NSHDSACASA-N 1 0 251.370 3.315 20 10 CGCDRO CC(C)([NH2+]Cc1ccc(F)c(F)c1[O-])c1nccs1 ZINC000703342885 799923001 /nfs/dbraw/zinc/92/30/01/799923001.db2.gz XHESEHGNICLKOW-UHFFFAOYSA-N 1 0 284.331 3.152 20 10 CGCDRO Cc1ncccc1C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000705528644 799950223 /nfs/dbraw/zinc/95/02/23/799950223.db2.gz WFCVRVIUIGNWIQ-ZDUSSCGKSA-N 1 0 269.392 3.307 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cccnc1C)c1ccccc1O ZINC000705570129 799951071 /nfs/dbraw/zinc/95/10/71/799951071.db2.gz NRHNILJBLHTORH-OAHLLOKOSA-N 1 0 256.349 3.337 20 10 CGCDRO CCOC1CCC([NH2+]Cc2cc(Cl)ccc2O)CC1 ZINC000705965458 799957162 /nfs/dbraw/zinc/95/71/62/799957162.db2.gz OPESDGWOIAAURZ-UHFFFAOYSA-N 1 0 283.799 3.483 20 10 CGCDRO CC/C=C/C[NH2+]Cc1c(O)cccc1Br ZINC000706835691 799967126 /nfs/dbraw/zinc/96/71/26/799967126.db2.gz MZXFWTAPQLACRJ-ONEGZZNKSA-N 1 0 270.170 3.211 20 10 CGCDRO Oc1cccc(Br)c1C[NH+]1CCCCC1 ZINC000707171248 799974807 /nfs/dbraw/zinc/97/48/07/799974807.db2.gz IIVDTKDYBRFYKR-UHFFFAOYSA-N 1 0 270.170 3.141 20 10 CGCDRO C[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(N)cc2)C1 ZINC000709622010 800010396 /nfs/dbraw/zinc/01/03/96/800010396.db2.gz NSQNTYZPFJIFOM-GFCCVEGCSA-N 1 0 258.287 3.043 20 10 CGCDRO C[C@@H]([NH2+]CC[C@H]1CCCS1)c1ccccc1O ZINC000715617554 800142342 /nfs/dbraw/zinc/14/23/42/800142342.db2.gz BIBKVKIZTOLMKE-VXGBXAGGSA-N 1 0 251.395 3.329 20 10 CGCDRO CO[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2ccccc2O)CC1 ZINC000718353042 800216317 /nfs/dbraw/zinc/21/63/17/800216317.db2.gz OTQIUEWFIKFPDE-BFHYXJOUSA-N 1 0 263.381 3.391 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]Cc1nc3c(s1)CCC3)CC2 ZINC000719562923 800243088 /nfs/dbraw/zinc/24/30/88/800243088.db2.gz WMFILIVCUIZYKB-GFCCVEGCSA-N 1 0 286.400 3.115 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]C2(C)CC(F)(F)C2)c1O ZINC000720912785 800272490 /nfs/dbraw/zinc/27/24/90/800272490.db2.gz PSXKCILRHOZEDO-UHFFFAOYSA-N 1 0 291.725 3.332 20 10 CGCDRO COc1ccc(C[NH2+]C2(C)CC(F)(F)C2)cc1C ZINC000720949712 800272885 /nfs/dbraw/zinc/27/28/85/800272885.db2.gz OKLJOMXTMDTNSG-UHFFFAOYSA-N 1 0 255.308 3.281 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000722320321 800312793 /nfs/dbraw/zinc/31/27/93/800312793.db2.gz LOYHYUCKSYQJCX-NHYWBVRUSA-N 1 0 281.783 3.093 20 10 CGCDRO C[C@H]([NH2+][C@@H](C1CC1)[C@H]1CCCOC1)c1ccccc1O ZINC000724010951 800352273 /nfs/dbraw/zinc/35/22/73/800352273.db2.gz PXNOVNWSMRVHAG-JDFRZJQESA-N 1 0 275.392 3.248 20 10 CGCDRO CCc1cc(C[NH2+][C@@H](CC)c2ccc(N(C)C)cc2)[nH]n1 ZINC000765994698 800383759 /nfs/dbraw/zinc/38/37/59/800383759.db2.gz QUQDVROUIATMGP-KRWDZBQOSA-N 1 0 286.423 3.279 20 10 CGCDRO COc1cccc(C[C@H](C)[NH2+]Cc2ccc(N(C)C)cc2)c1 ZINC001256152380 806836752 /nfs/dbraw/zinc/83/67/52/806836752.db2.gz UYATZLJJBBTTHO-HNNXBMFYSA-N 1 0 298.430 3.482 20 10 CGCDRO COc1ccc(C[NH2+]Cc2sccc2C)c(O)c1OC ZINC000892731170 800568570 /nfs/dbraw/zinc/56/85/70/800568570.db2.gz MYVGDONPEVOBCW-UHFFFAOYSA-N 1 0 293.388 3.069 20 10 CGCDRO CO[C@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)CC[C@@H]1C ZINC001116721088 802401717 /nfs/dbraw/zinc/40/17/17/802401717.db2.gz PVQXGGIPXSABGR-YJBOKZPZSA-N 1 0 288.435 3.144 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CCc1nccnc1C ZINC001117751157 802486818 /nfs/dbraw/zinc/48/68/18/802486818.db2.gz POMWQFYNTRXOGZ-DOMZBBRYSA-N 1 0 297.402 3.180 20 10 CGCDRO COc1ccc(C[NH2+]CC[C@H]2CC=CCC2)c(O)c1OC ZINC001120059185 802732114 /nfs/dbraw/zinc/73/21/14/802732114.db2.gz HEMVZVTUTYGKMN-ZDUSSCGKSA-N 1 0 291.391 3.245 20 10 CGCDRO CC(C)[NH+]1CCC(C[N@H+](C)Cc2c([O-])cccc2F)CC1 ZINC001137837616 803781143 /nfs/dbraw/zinc/78/11/43/803781143.db2.gz NVJBYXIIPHRLKK-UHFFFAOYSA-N 1 0 294.414 3.084 20 10 CGCDRO COc1cccc2c1CC[N@H+](Cc1c([O-])cccc1F)C2 ZINC001137840405 803781275 /nfs/dbraw/zinc/78/12/75/803781275.db2.gz ZLEUOYTYVGNHAD-UHFFFAOYSA-N 1 0 287.334 3.098 20 10 CGCDRO CO[C@@H]1CC[N@H+](Cc2cc(C)n(-c3ccccc3)c2C)C1 ZINC001137855847 803786087 /nfs/dbraw/zinc/78/60/87/803786087.db2.gz HTHYSMIMTRFTTQ-GOSISDBHSA-N 1 0 284.403 3.315 20 10 CGCDRO Cc1cc(C[N@@H+]2C[C@@H](C)C[C@H]2CO)c(C)n1-c1ccccc1 ZINC001137854492 803786270 /nfs/dbraw/zinc/78/62/70/803786270.db2.gz YURZWKBJMFARNW-LIRRHRJNSA-N 1 0 298.430 3.297 20 10 CGCDRO Oc1c(F)cccc1CN1CCCC(F)(F)[C@@H](F)C1 ZINC001138123609 803863199 /nfs/dbraw/zinc/86/31/99/803863199.db2.gz CDYJPHCRFMVKEO-NSHDSACASA-N 1 0 277.261 3.101 20 10 CGCDRO CC(C)[NH+]1CCC(C[N@H+](C)Cc2cccc(F)c2[O-])CC1 ZINC001138127887 803864518 /nfs/dbraw/zinc/86/45/18/803864518.db2.gz UMIPQQKHTZXVCK-UHFFFAOYSA-N 1 0 294.414 3.084 20 10 CGCDRO Cc1c(C[N@@H+]2CCC[C@@]3(CCOC3)C2)c2ccccc2n1C ZINC001138253910 803881472 /nfs/dbraw/zinc/88/14/72/803881472.db2.gz KFVYYFFDDOMWGP-LJQANCHMSA-N 1 0 298.430 3.489 20 10 CGCDRO Cc1c(C[N@H+](C)[C@H]2CCCOC2)c2ccccc2n1C ZINC001138259845 803885007 /nfs/dbraw/zinc/88/50/07/803885007.db2.gz PGHNDPXWGJVTEX-AWEZNQCLSA-N 1 0 272.392 3.098 20 10 CGCDRO Cc1c(C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)c2ccccc2n1C ZINC001138258359 803885057 /nfs/dbraw/zinc/88/50/57/803885057.db2.gz QWUGBVWENXHVEA-XEZPLFJOSA-N 1 0 272.367 3.419 20 10 CGCDRO CN1CCCc2cc(C[N@@H+]3CCCC[C@@H](F)C3)ccc21 ZINC001138354367 803901448 /nfs/dbraw/zinc/90/14/48/803901448.db2.gz HCSWSBRCFDGMHR-MRXNPFEDSA-N 1 0 276.399 3.393 20 10 CGCDRO CCCO[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCCN3C)C1 ZINC001138358404 803902360 /nfs/dbraw/zinc/90/23/60/803902360.db2.gz QLNFBIHHMYBPKT-QGZVFWFLSA-N 1 0 288.435 3.070 20 10 CGCDRO CN1CCCc2cc(C[N@@H+]3CC[C@@H](C(F)(F)F)C3)ccc21 ZINC001138357156 803903476 /nfs/dbraw/zinc/90/34/76/803903476.db2.gz DOEAKWBOIBLZMT-CQSZACIVSA-N 1 0 298.352 3.453 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](C)C2)c(OC)c1 ZINC001138386104 803912948 /nfs/dbraw/zinc/91/29/48/803912948.db2.gz HGPFZVOJPLIPIN-AWEZNQCLSA-N 1 0 276.424 3.383 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)C(C)C)c(OC)c1 ZINC001138388604 803913684 /nfs/dbraw/zinc/91/36/84/803913684.db2.gz YZYGMWGIRPSYCB-UHFFFAOYSA-N 1 0 264.413 3.382 20 10 CGCDRO Cc1cc(C[NH+]2CC(c3cccnc3)C2)ccc1N(C)C ZINC001139673151 804248454 /nfs/dbraw/zinc/24/84/54/804248454.db2.gz QJRLPYQXNMLXAF-UHFFFAOYSA-N 1 0 281.403 3.055 20 10 CGCDRO CC[N@H+](Cc1cnc2cccnc2c1)Cc1ccccc1O ZINC001139743829 804274363 /nfs/dbraw/zinc/27/43/63/804274363.db2.gz QXDOEXLHXFARKQ-UHFFFAOYSA-N 1 0 293.370 3.358 20 10 CGCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@H](c3cccnc3)C2)c1O ZINC001140179329 804395911 /nfs/dbraw/zinc/39/59/11/804395911.db2.gz HTVUKLGIOYKCIX-INIZCTEOSA-N 1 0 282.387 3.394 20 10 CGCDRO Cc1ccc(C)c(C[N@H+](C)CCc2ccccn2)c1O ZINC001140179941 804396725 /nfs/dbraw/zinc/39/67/25/804396725.db2.gz KOPZTWISNFOORX-UHFFFAOYSA-N 1 0 270.376 3.079 20 10 CGCDRO Cc1ccc(C)c(C[NH+]2CCC(CF)CC2)c1O ZINC001140182085 804396867 /nfs/dbraw/zinc/39/68/67/804396867.db2.gz IEMUAOIVRZZHSJ-UHFFFAOYSA-N 1 0 251.345 3.191 20 10 CGCDRO Oc1cccc(Cl)c1C[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001140338042 804418316 /nfs/dbraw/zinc/41/83/16/804418316.db2.gz SLOBJPSUDKNRGR-XHDPSFHLSA-N 1 0 281.783 3.047 20 10 CGCDRO Oc1cccc(Cl)c1C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC001140338995 804419874 /nfs/dbraw/zinc/41/98/74/804419874.db2.gz QLMADDPWGBTWMY-OAHLLOKOSA-N 1 0 281.783 3.048 20 10 CGCDRO Oc1cccc(Cl)c1C[NH+]1CC2(C1)C[C@@H](F)CS2 ZINC001140342063 804420777 /nfs/dbraw/zinc/42/07/77/804420777.db2.gz RMSSJYBRBNCCOF-SECBINFHSA-N 1 0 287.787 3.075 20 10 CGCDRO C[C@H]1C[N@H+](Cc2ccc(Cl)cc2O)C2(CC2)C1 ZINC001140464352 804442188 /nfs/dbraw/zinc/44/21/88/804442188.db2.gz MJUKBLIPMUYOFO-SNVBAGLBSA-N 1 0 251.757 3.420 20 10 CGCDRO Cc1ccc(O)c(CN2CC[NH+](CC3CCCC3)CC2)c1 ZINC001140621028 804477009 /nfs/dbraw/zinc/47/70/09/804477009.db2.gz MSXBVGQYSQEPQB-UHFFFAOYSA-N 1 0 288.435 3.008 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H](Oc3ccncc3C)C2)c1 ZINC001140624319 804478594 /nfs/dbraw/zinc/47/85/94/804478594.db2.gz QNRDJIDQDQIZAB-INIZCTEOSA-N 1 0 298.386 3.057 20 10 CGCDRO CCN(CC)c1ccc(C[NH+](CC)CC)c(O)c1 ZINC001140851841 804532950 /nfs/dbraw/zinc/53/29/50/804532950.db2.gz QUTOOWBINYMDTG-UHFFFAOYSA-N 1 0 250.386 3.080 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2C3)c(O)c1 ZINC001140856009 804533862 /nfs/dbraw/zinc/53/38/62/804533862.db2.gz ORIFQTSTWKOEGW-DZGCQCFKSA-N 1 0 274.408 3.223 20 10 CGCDRO C[C@H]1CCN(Cc2ccc(N(C)C)cc2Cl)CCC1=O ZINC001140922196 804548640 /nfs/dbraw/zinc/54/86/40/804548640.db2.gz JVEBBASLURZRDQ-LBPRGKRZSA-N 1 0 294.826 3.207 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CCC3(CCCC3)C2)c(OC)c1 ZINC001141028417 804574848 /nfs/dbraw/zinc/57/48/48/804574848.db2.gz NQTPSDTXBRZCDT-UHFFFAOYSA-N 1 0 291.391 3.176 20 10 CGCDRO CN1CCOc2cc(C[NH+]3CC4CCC(CC4)C3)ccc21 ZINC001141145337 804598107 /nfs/dbraw/zinc/59/81/07/804598107.db2.gz UNQNJNFAKHXDJS-UHFFFAOYSA-N 1 0 286.419 3.137 20 10 CGCDRO CC[N@H+](Cc1ccc(OC)cc1)Cc1cc(O)ccc1O ZINC001141161323 804601357 /nfs/dbraw/zinc/60/13/57/804601357.db2.gz DTCJOLWLBYJTGV-UHFFFAOYSA-N 1 0 287.359 3.129 20 10 CGCDRO C[N@H+](Cc1cc(O)ccc1O)[C@H]1CCc2ccccc21 ZINC001141162889 804602198 /nfs/dbraw/zinc/60/21/98/804602198.db2.gz JIWDBQSVYISANJ-INIZCTEOSA-N 1 0 269.344 3.217 20 10 CGCDRO CC(C)(C)c1cccc(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)c1O ZINC001143104501 804801225 /nfs/dbraw/zinc/80/12/25/804801225.db2.gz UGBYXYKALIUZQR-CABCVRRESA-N 1 0 289.419 3.158 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2cccc(C(C)(C)C)c2O)CC[C@@]1(C)O ZINC001143104519 804801258 /nfs/dbraw/zinc/80/12/58/804801258.db2.gz USLWGZIFHAAIFM-FZKQIMNGSA-N 1 0 291.435 3.283 20 10 CGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(C)nc1N ZINC001143207456 804820807 /nfs/dbraw/zinc/82/08/07/804820807.db2.gz XSHPHSFMZPBWJK-UHFFFAOYSA-N 1 0 298.434 3.060 20 10 CGCDRO CN(C)c1ccc(CN(C)Cc2ncn3ccccc23)cc1 ZINC001144626069 805017791 /nfs/dbraw/zinc/01/77/91/805017791.db2.gz XVLNFLDXJLHADE-UHFFFAOYSA-N 1 0 294.402 3.032 20 10 CGCDRO CN(C)c1cc(F)cc(C[N@H+](C)Cc2ccccc2O)c1 ZINC001249958048 805324280 /nfs/dbraw/zinc/32/42/80/805324280.db2.gz GHPSBNNFKMYYQO-UHFFFAOYSA-N 1 0 288.366 3.229 20 10 CGCDRO CC(C)C[C@H](C)C[C@H](C)[NH2+]CCc1cc(O)c(O)cc1O ZINC001258057142 807280861 /nfs/dbraw/zinc/28/08/61/807280861.db2.gz RVAQJUCQCGMKAP-STQMWFEESA-N 1 0 295.423 3.396 20 10 CGCDRO Cc1cccc(C[NH2+]C2CCN(c3ccccc3)CC2)c1O ZINC001258506924 807481303 /nfs/dbraw/zinc/48/13/03/807481303.db2.gz JKKWYWAGIHIHCG-UHFFFAOYSA-N 1 0 296.414 3.459 20 10 CGCDRO COC(=O)C1(C)CCC([NH2+][C@@H](C)c2ccccc2O)CC1 ZINC001168752806 807506314 /nfs/dbraw/zinc/50/63/14/807506314.db2.gz UYRISZAJAJAFSJ-POZPTJLLSA-N 1 0 291.391 3.165 20 10 CGCDRO C[C@@H](Cc1cccnc1)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001258610635 807508072 /nfs/dbraw/zinc/50/80/72/807508072.db2.gz SJYCNIXMILYKSF-INIZCTEOSA-N 1 0 295.430 3.403 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)c(Cl)c1 ZINC001261366863 807739531 /nfs/dbraw/zinc/73/95/31/807739531.db2.gz IIHBQQIVEBGMQS-BLLLJJGKSA-N 1 0 295.810 3.355 20 10 CGCDRO CC[C@@H]1C[C@@H]([NH2+]Cc2c(C)cc(C)cc2O)CCO1 ZINC001170184974 807788022 /nfs/dbraw/zinc/78/80/22/807788022.db2.gz ZHHNRKJYHBBQQS-UONOGXRCSA-N 1 0 263.381 3.056 20 10 CGCDRO CCCCCC[C@H](CC)[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001170582819 807858673 /nfs/dbraw/zinc/85/86/73/807858673.db2.gz XSAXIIZGSLACSG-YOEHRIQHSA-N 1 0 295.423 3.470 20 10 CGCDRO Cc1cccc2c1CC[C@H]([NH2+]Cc1ccc(O)c(O)c1)C2 ZINC001171556388 808094229 /nfs/dbraw/zinc/09/42/29/808094229.db2.gz JJJCNUHGPOBBPI-HNNXBMFYSA-N 1 0 283.371 3.053 20 10 CGCDRO CC(C)COCC[C@@H](C)[N@@H+]1CCc2cccc(O)c2C1 ZINC001172485633 808346848 /nfs/dbraw/zinc/34/68/48/808346848.db2.gz YBTXADCSYJFGCY-CQSZACIVSA-N 1 0 277.408 3.202 20 10 CGCDRO CC1(C)CC([NH2+]Cc2ccc3c(c2)CCO3)CC(C)(C)O1 ZINC001172649053 808407922 /nfs/dbraw/zinc/40/79/22/808407922.db2.gz GYQCNZUSKDVRCE-UHFFFAOYSA-N 1 0 289.419 3.447 20 10 CGCDRO Cc1ccc2c(c1)C[C@@H]([NH2+]CCc1ccc(O)c(O)c1)CC2 ZINC001172833911 808451039 /nfs/dbraw/zinc/45/10/39/808451039.db2.gz CEPJQWJVEVWDKW-KRWDZBQOSA-N 1 0 297.398 3.096 20 10 CGCDRO CO[C@@H]1CCC[C@@H]([N@H+](C)Cc2ccc(N(C)C)cc2)C1 ZINC001172951786 808494257 /nfs/dbraw/zinc/49/42/57/808494257.db2.gz TYJLSVYLZFHONN-IAGOWNOFSA-N 1 0 276.424 3.142 20 10 CGCDRO Cc1cccc(C[NH2+]C2Cc3cc(F)c(F)cc3C2)c1O ZINC001173476769 808643411 /nfs/dbraw/zinc/64/34/11/808643411.db2.gz UWCUYRNGOVOJFY-UHFFFAOYSA-N 1 0 289.325 3.236 20 10 CGCDRO COc1ccc(N2CCC3(CCC[N@H+](C)C3)CC2)cc1 ZINC001276924731 809045984 /nfs/dbraw/zinc/04/59/84/809045984.db2.gz OAYFNDOWNSCTPX-UHFFFAOYSA-N 1 0 274.408 3.007 20 10 CGCDRO COc1ccc(C[NH2+]C[C@H](O)c2ccccc2C)cc1C ZINC001177799712 809823325 /nfs/dbraw/zinc/82/33/25/809823325.db2.gz FVKDBUYOHSZSKE-KRWDZBQOSA-N 1 0 285.387 3.135 20 10 CGCDRO CO[C@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)C(C)(C)C ZINC001177928861 809833191 /nfs/dbraw/zinc/83/31/91/809833191.db2.gz QKZVDOSJEQWLOP-QGZVFWFLSA-N 1 0 290.451 3.438 20 10 CGCDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@@H]1CCN1C(C)(C)C ZINC001179143102 809906624 /nfs/dbraw/zinc/90/66/24/809906624.db2.gz RUTBBISZVKWLLS-HNNXBMFYSA-N 1 0 299.462 3.449 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCN2CCC(C)(C)C2)c(Cl)c1 ZINC001179767886 809943463 /nfs/dbraw/zinc/94/34/63/809943463.db2.gz HOLITXGFNAPLAQ-UHFFFAOYSA-N 1 0 296.842 3.176 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2C[C@H](C)C[C@H]2c2cccnc2)c1 ZINC001180664764 810017159 /nfs/dbraw/zinc/01/71/59/810017159.db2.gz JDVKNPTVPZZJLP-DYVFJYSZSA-N 1 0 298.386 3.379 20 10 CGCDRO CO[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2O)C12CCC2 ZINC001182249709 810100020 /nfs/dbraw/zinc/10/00/20/810100020.db2.gz GFCWBHXYCFTQBX-KBPBESRZSA-N 1 0 281.783 3.093 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC001183371724 810146853 /nfs/dbraw/zinc/14/68/53/810146853.db2.gz SAJDFVQTJBGYQO-HOTGVXAUSA-N 1 0 290.476 3.246 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C1(C2CC2)CCC1 ZINC001183788969 810161230 /nfs/dbraw/zinc/16/12/30/810161230.db2.gz QKCHTYUOJUXPTJ-UHFFFAOYSA-N 1 0 258.409 3.483 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)C(C)(C)C ZINC001203007040 812215805 /nfs/dbraw/zinc/21/58/05/812215805.db2.gz WMBRXFXIOCLQCF-LLVKDONJSA-N 1 0 252.377 3.416 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@@H]2C[C@@H](O)C23CCC3)cc1C ZINC001203128139 812248523 /nfs/dbraw/zinc/24/85/23/812248523.db2.gz SDAMNSXJMIDBMB-IAGOWNOFSA-N 1 0 289.419 3.177 20 10 CGCDRO COc1ccc(C[N@@H+]2CCCC[C@](C)(F)C2)c(O)c1 ZINC001203620832 812409530 /nfs/dbraw/zinc/40/95/30/812409530.db2.gz JLMKWGRDFNJCRZ-HNNXBMFYSA-N 1 0 267.344 3.115 20 10 CGCDRO CC[N@H+](Cc1ccc(OC)cc1)Cc1ccc(O)c(O)c1 ZINC001203878557 812478753 /nfs/dbraw/zinc/47/87/53/812478753.db2.gz CEHFXAZOGRXTMO-UHFFFAOYSA-N 1 0 287.359 3.129 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2ccc(O)c(O)c2)Cc2ccccc21 ZINC001203875149 812478841 /nfs/dbraw/zinc/47/88/41/812478841.db2.gz IWZLBWTUVUMZLU-GFCCVEGCSA-N 1 0 269.344 3.217 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@]3(CCO3)C2)cc1 ZINC001203942379 812498000 /nfs/dbraw/zinc/49/80/00/812498000.db2.gz NHJVRPUAEDGAMA-SFHVURJKSA-N 1 0 288.435 3.288 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](C)[C@](C)(O)C2)cc1 ZINC001203940680 812498148 /nfs/dbraw/zinc/49/81/48/812498148.db2.gz UTWHIVDYKOBFAL-CRAIPNDOSA-N 1 0 290.451 3.126 20 10 CGCDRO CC[N@H+](Cc1cccc(C)n1)Cc1ccccc1O ZINC001204070959 812540169 /nfs/dbraw/zinc/54/01/69/812540169.db2.gz WFKABCCFGNPJOO-UHFFFAOYSA-N 1 0 256.349 3.118 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C2CC2)C2COC2)c2ccccc21 ZINC001204240014 812581262 /nfs/dbraw/zinc/58/12/62/812581262.db2.gz GBCGTOZIYCNSDP-UHFFFAOYSA-N 1 0 296.414 3.269 20 10 CGCDRO Oc1ccc(C[NH+]2CCC(c3ccccc3)CC2)c(O)c1 ZINC001204273313 812591995 /nfs/dbraw/zinc/59/19/95/812591995.db2.gz NTJODOWGMDKGCL-UHFFFAOYSA-N 1 0 283.371 3.477 20 10 CGCDRO Oc1ccc(C[N@@H+]2CC[C@H](c3ccccc3)C2)c(O)c1 ZINC001204276561 812595030 /nfs/dbraw/zinc/59/50/30/812595030.db2.gz NFDGCFXHAXVXJS-AWEZNQCLSA-N 1 0 269.344 3.087 20 10 CGCDRO Cn1cc(C[N@@H+]2CCc3cccc(O)c3C2)c2ccccc21 ZINC001204319277 812611629 /nfs/dbraw/zinc/61/16/29/812611629.db2.gz MUVIWIRQZGDFBZ-UHFFFAOYSA-N 1 0 292.382 3.442 20 10 CGCDRO c1cc2c(cn1)CC[N@@H+](Cc1ccc(N3CCCC3)cc1)C2 ZINC001204320187 812611863 /nfs/dbraw/zinc/61/18/63/812611863.db2.gz NZDACJYLAMMMGT-UHFFFAOYSA-N 1 0 293.414 3.240 20 10 CGCDRO C[C@]1(O)CCC[N@H+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204323749 812612520 /nfs/dbraw/zinc/61/25/20/812612520.db2.gz IVKIMTBRQUBQFD-SFHVURJKSA-N 1 0 288.435 3.024 20 10 CGCDRO CCCC1CC[NH+](Cc2cc(O)c(O)c(OC)c2)CC1 ZINC001204343252 812615828 /nfs/dbraw/zinc/61/58/28/812615828.db2.gz RAUQITSKYHKOIT-UHFFFAOYSA-N 1 0 279.380 3.119 20 10 CGCDRO CC(C)(C)c1cccc(CN2CCC[C@](C)([NH3+])C2)c1O ZINC001204938143 812786213 /nfs/dbraw/zinc/78/62/13/812786213.db2.gz JKMOIMMGCZOHPR-KRWDZBQOSA-N 1 0 276.424 3.003 20 10 CGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ncccc1C ZINC001205813821 813091971 /nfs/dbraw/zinc/09/19/71/813091971.db2.gz KCOHWZSSHKEDQD-UHFFFAOYSA-N 1 0 283.419 3.478 20 10 CGCDRO CCc1cccc(C[NH2+][C@H]2COc3c(C)cccc3C2)c1O ZINC001206120743 813207145 /nfs/dbraw/zinc/20/71/45/813207145.db2.gz DMCYGXOPOGHBFP-QGZVFWFLSA-N 1 0 297.398 3.356 20 10 CGCDRO CC[C@@]1(O)CCC[N@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC001207103137 813487128 /nfs/dbraw/zinc/48/71/28/813487128.db2.gz VSALTSHNGSVLPM-OAHLLOKOSA-N 1 0 283.799 3.091 20 10 CGCDRO CC1(C)CC[C@H](CO)[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001207302507 813537908 /nfs/dbraw/zinc/53/79/08/813537908.db2.gz PXGMPUGQOUEIIH-CYBMUJFWSA-N 1 0 283.799 3.029 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@]12C[C@H]1CCC2 ZINC001207639374 813627026 /nfs/dbraw/zinc/62/70/26/813627026.db2.gz ONJKFFDLVMGTAG-WBVHZDCISA-N 1 0 258.409 3.341 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CCC[C@@](C)(O)C2)cc1 ZINC001209516587 814070881 /nfs/dbraw/zinc/07/08/81/814070881.db2.gz BGCDICGAOXMDEB-LJQANCHMSA-N 1 0 298.430 3.441 20 10 CGCDRO CN(c1ccc(N)cc1)C1=CC[C@H]([NH+]2CCCC2)CC1 ZINC001210714720 814594286 /nfs/dbraw/zinc/59/42/86/814594286.db2.gz ZAUDCWWFCMNVQI-KRWDZBQOSA-N 1 0 271.408 3.237 20 10 CGCDRO [NH3+][C@@H]1CCC[C@H]1c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001217720976 815948968 /nfs/dbraw/zinc/94/89/68/815948968.db2.gz RHHOAFHNKNFROC-HUUCEWRRSA-N 1 0 294.358 3.122 20 10 CGCDRO CC(C)(C)c1ccc(CN2CCC[C@@]3(CC[NH2+]3)C2)c(O)c1 ZINC001222287826 816397246 /nfs/dbraw/zinc/39/72/46/816397246.db2.gz RZKDKUNSHXAVKN-GOSISDBHSA-N 1 0 288.435 3.018 20 10 CGCDRO Oc1ccc2ccccc2c1CN1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001222353460 816418018 /nfs/dbraw/zinc/41/80/18/816418018.db2.gz BKXQLMGURADALO-IBGZPJMESA-N 1 0 296.414 3.263 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)Cc2c[nH]c3cccnc23)cc1 ZINC001231492882 818112467 /nfs/dbraw/zinc/11/24/67/818112467.db2.gz PSNCTVLHCSFZIT-UHFFFAOYSA-N 1 0 294.402 3.261 20 10 CGCDRO CC[N@H+](Cc1c[nH]c2cccnc12)Cc1ccccc1O ZINC001231492377 818112713 /nfs/dbraw/zinc/11/27/13/818112713.db2.gz MZNDBZDYDGPCIE-UHFFFAOYSA-N 1 0 281.359 3.291 20 10 CGCDRO Cc1cccc(C[N@H+]2C[C@H]3c4ccccc4C(=O)[C@H]3C2)c1O ZINC001231593049 818131568 /nfs/dbraw/zinc/13/15/68/818131568.db2.gz XRPIUCLKIHAZAP-IRXDYDNUSA-N 1 0 293.366 3.113 20 10 CGCDRO CC[N@H+](Cc1cccnc1)Cc1cccc(C)c1O ZINC001231593263 818131900 /nfs/dbraw/zinc/13/19/00/818131900.db2.gz SHNOXCMTCADCCF-UHFFFAOYSA-N 1 0 256.349 3.118 20 10 CGCDRO CC[C@@]12C[C@@H](CO1)[N@H+](Cc1ccc3ccccc3c1O)C2 ZINC001231881344 818199948 /nfs/dbraw/zinc/19/99/48/818199948.db2.gz VQUCTTMSOCAYLQ-YJBOKZPZSA-N 1 0 283.371 3.299 20 10 CGCDRO Oc1c(C[NH+]2CCC(N3CCC3)CC2)ccc2ccccc21 ZINC001231883492 818201758 /nfs/dbraw/zinc/20/17/58/818201758.db2.gz MAYBZNGBFGAUCA-UHFFFAOYSA-N 1 0 296.414 3.216 20 10 CGCDRO Oc1cc(O)c(C[NH+]2C[C@@H]3CCCC[C@H]3C2)cc1Cl ZINC001232259563 818295529 /nfs/dbraw/zinc/29/55/29/818295529.db2.gz LBKUJTOXPRQZSB-QWRGUYRKSA-N 1 0 281.783 3.373 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)CCc2ccccc2)c(O)c1 ZINC001232834781 818452036 /nfs/dbraw/zinc/45/20/36/818452036.db2.gz MKXOVZJYZMDQPS-UHFFFAOYSA-N 1 0 284.403 3.133 20 10 CGCDRO CC[N@H+](Cc1ccccc1)Cc1ccc(N(C)C)cc1O ZINC001232834112 818452248 /nfs/dbraw/zinc/45/22/48/818452248.db2.gz GVIHXWAQRMBHDA-UHFFFAOYSA-N 1 0 284.403 3.480 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2c2ccncc2)c(O)c1 ZINC001232839231 818453328 /nfs/dbraw/zinc/45/33/28/818453328.db2.gz NLAQYNHTIUJNAU-QGZVFWFLSA-N 1 0 297.402 3.190 20 10 CGCDRO Cc1cc(C)c(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)cn1 ZINC001233012983 818501957 /nfs/dbraw/zinc/50/19/57/818501957.db2.gz RBVJKUZDSRDUSM-UHFFFAOYSA-N 1 0 298.386 3.058 20 10 CGCDRO CC[N@H+](Cc1ccccc1O)Cc1cc(Cl)ncc1O ZINC001233037765 818508818 /nfs/dbraw/zinc/50/88/18/818508818.db2.gz FCPAXZDFIPTYLD-UHFFFAOYSA-N 1 0 292.766 3.168 20 10 CGCDRO CC(C)(C)c1ccc(O)c(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC001233284009 818565430 /nfs/dbraw/zinc/56/54/30/818565430.db2.gz DQZDQWWEPPHBKD-GASCZTMLSA-N 1 0 275.392 3.053 20 10 CGCDRO COC[C@H]1CCC[N@@H+]1Cc1ccc(C(F)(F)F)cc1O ZINC001233451894 818622893 /nfs/dbraw/zinc/62/28/93/818622893.db2.gz CTBXDJHUSODJOO-GFCCVEGCSA-N 1 0 289.297 3.022 20 10 CGCDRO Oc1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@@H]1CF ZINC001233455353 818623421 /nfs/dbraw/zinc/62/34/21/818623421.db2.gz HDXCMLHDSQNARO-LLVKDONJSA-N 1 0 277.261 3.345 20 10 CGCDRO Oc1cc(O)c(C[NH+]2CCC3(CCCCC3)CC2)cc1O ZINC001233483155 818625822 /nfs/dbraw/zinc/62/58/22/818625822.db2.gz PGESQZHTQNWHJH-UHFFFAOYSA-N 1 0 291.391 3.350 20 10 CGCDRO CC[NH+]1CCN(c2ccc(O[C@H](C)C(C)C)cc2)CC1 ZINC001234658028 818907985 /nfs/dbraw/zinc/90/79/85/818907985.db2.gz QZQOWPDLXKRMRU-OAHLLOKOSA-N 1 0 276.424 3.252 20 10 CGCDRO CC[NH+]1CCN(c2ccc(O[C@@H]3C[C@H]4C=C[C@@H]3C4)cc2)CC1 ZINC001234658053 818908222 /nfs/dbraw/zinc/90/82/22/818908222.db2.gz SBKPDNBZKIEIGZ-FRQCXROJSA-N 1 0 298.430 3.172 20 10 CGCDRO Oc1c(C[N@H+]2CCC[C@@H](O)C2)cccc1-c1ccccc1 ZINC001234992153 818969422 /nfs/dbraw/zinc/96/94/22/818969422.db2.gz NRFQVGOXPQKQCO-MRXNPFEDSA-N 1 0 283.371 3.016 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2cccc(-c3ccccc3)c2O)CCC1=O ZINC001234992561 818969815 /nfs/dbraw/zinc/96/98/15/818969815.db2.gz PQFKXVFONUQZEW-CQSZACIVSA-N 1 0 295.382 3.470 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2cccc(-c3ccccc3)c2O)CCO1 ZINC001234998139 818972779 /nfs/dbraw/zinc/97/27/79/818972779.db2.gz GANSKVDPGPDXIO-CQSZACIVSA-N 1 0 283.371 3.280 20 10 CGCDRO Oc1c(C[N@@H+]2CCOCC23CC3)cccc1-c1ccccc1 ZINC001234998526 818974100 /nfs/dbraw/zinc/97/41/00/818974100.db2.gz KZOHFJWCTNNBNH-UHFFFAOYSA-N 1 0 295.382 3.424 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(CN2CC[C@]3(CC[NH2+]3)C2)cc1 ZINC001235064033 818993019 /nfs/dbraw/zinc/99/30/19/818993019.db2.gz FYLQNIKZEJUFLM-LJQANCHMSA-N 1 0 295.430 3.032 20 10 CGCDRO Oc1cccc(Cl)c1CN1CCCC[C@@]12CCC[NH2+]C2 ZINC001235168812 819021439 /nfs/dbraw/zinc/02/14/39/819021439.db2.gz UUROHZDDJBGPEN-INIZCTEOSA-N 1 0 294.826 3.154 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(CN2CCC[C@@H]3[NH2+]C[C@H]32)cc1 ZINC001235304023 819065284 /nfs/dbraw/zinc/06/52/84/819065284.db2.gz ZPPBOYYKBLRIAA-RBUKOAKNSA-N 1 0 295.430 3.030 20 10 CGCDRO CC(C)(C)c1ccc(C[N@@H+]2CC[C@]3(CCCO3)C2)c(O)c1 ZINC001235683690 819142292 /nfs/dbraw/zinc/14/22/92/819142292.db2.gz TXULJALOBAWRRO-GOSISDBHSA-N 1 0 289.419 3.445 20 10 CGCDRO C[C@@H]1CC[C@@H]([NH3+])CN1Cc1ccc(N(C)C)c2ccccc12 ZINC001235892262 819201344 /nfs/dbraw/zinc/20/13/44/819201344.db2.gz OECGTSUYBSOHMD-GDBMZVCRSA-N 1 0 297.446 3.217 20 10 CGCDRO C[C@@H]1CC[C@@H]([NH3+])CN1Cc1cccc(C(C)(C)C)c1O ZINC001235905209 819214100 /nfs/dbraw/zinc/21/41/00/819214100.db2.gz LEPVDOXYKHIXEV-TZMCWYRMSA-N 1 0 276.424 3.001 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(CN2C[C@H](C)C[C@@H]([NH3+])C2)cc1 ZINC001236050491 819286952 /nfs/dbraw/zinc/28/69/52/819286952.db2.gz STXXKNXURVEWHU-RDTXWAMCSA-N 1 0 297.446 3.263 20 10 CGCDRO C[C@@H]1C[C@H]([NH3+])CN(Cc2cccc(-c3ccccc3)c2O)C1 ZINC001236053037 819289379 /nfs/dbraw/zinc/28/93/79/819289379.db2.gz XREMCKAVXGODRW-PBHICJAKSA-N 1 0 296.414 3.228 20 10 CGCDRO Cc1c(CN(C)[C@@]2(C)CCC[NH2+]C2)c2ccccc2n1C ZINC001236204778 819367311 /nfs/dbraw/zinc/36/73/11/819367311.db2.gz BWPAZSXCDCERTG-SFHVURJKSA-N 1 0 285.435 3.061 20 10 CGCDRO CC(C)N(Cc1ccc(C(C)(C)C)cc1O)[C@H]1CC[NH2+]C1 ZINC001236528026 819519238 /nfs/dbraw/zinc/51/92/38/819519238.db2.gz JHCAYSYXKYVVAS-INIZCTEOSA-N 1 0 290.451 3.262 20 10 CGCDRO CC(C)(C)c1ccc(CN(C2CC2)[C@@H]2CC[NH2+]C2)c(O)c1 ZINC001236529652 819521533 /nfs/dbraw/zinc/52/15/33/819521533.db2.gz VFSHDKZQQHLNAA-MRXNPFEDSA-N 1 0 288.435 3.016 20 10 CGCDRO CCc1ccc(C[N@@H+]2CCc3c(O)cccc3C2)c(O)c1 ZINC001236784248 819594730 /nfs/dbraw/zinc/59/47/30/819594730.db2.gz SIJDWXHSDRULFX-UHFFFAOYSA-N 1 0 283.371 3.219 20 10 CGCDRO CCc1ccc(CN(CC)CC[NH+](CC)CC)c(O)c1 ZINC001236790287 819595290 /nfs/dbraw/zinc/59/52/90/819595290.db2.gz VFXNLMJBTVVQPL-UHFFFAOYSA-N 1 0 278.440 3.118 20 10 CGCDRO CCc1ccc(C[N@@H+]2CCC[C@@H](CF)C2)c(O)c1 ZINC001236795274 819596403 /nfs/dbraw/zinc/59/64/03/819596403.db2.gz SVTMFZBCCCMEJK-ZDUSSCGKSA-N 1 0 251.345 3.136 20 10 CGCDRO CCc1ccc(C[N@@H+]2CC[C@H](Oc3ccncc3)C2)c(O)c1 ZINC001236792887 819597129 /nfs/dbraw/zinc/59/71/29/819597129.db2.gz TUFIBBWQJKOFAX-KRWDZBQOSA-N 1 0 298.386 3.003 20 10 CGCDRO CCc1ccc(C[N@H+](C)Cc2ccccc2O)c(O)c1 ZINC001236792839 819597856 /nfs/dbraw/zinc/59/78/56/819597856.db2.gz SBGYXKCNTHUKSY-UHFFFAOYSA-N 1 0 271.360 3.292 20 10 CGCDRO COc1cc(C)c(C[NH+]2CCc3ccccc3CC2)c(O)c1 ZINC001236812301 819603848 /nfs/dbraw/zinc/60/38/48/819603848.db2.gz BWDMXNPIXANJRP-UHFFFAOYSA-N 1 0 297.398 3.310 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CCC[C@@H]2c2cccnc2)c(O)c1 ZINC001236810395 819604219 /nfs/dbraw/zinc/60/42/19/819604219.db2.gz FNSJQZBZWOXYLQ-QGZVFWFLSA-N 1 0 298.386 3.441 20 10 CGCDRO COC[C@@H]1CC[N@H+](Cc2cc3ccccc3cc2O)C1 ZINC001236826495 819609581 /nfs/dbraw/zinc/60/95/81/819609581.db2.gz LIABNMWALPSOPU-CYBMUJFWSA-N 1 0 271.360 3.014 20 10 CGCDRO Oc1cc2ccccc2cc1C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC001236826460 819610059 /nfs/dbraw/zinc/61/00/59/819610059.db2.gz KCRFETJGPHFTJH-SFHVURJKSA-N 1 0 283.371 3.158 20 10 CGCDRO Oc1cc2ccccc2cc1C[N@@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001236834571 819613755 /nfs/dbraw/zinc/61/37/55/819613755.db2.gz AFWOGJWZQSMRLU-CWRNSKLLSA-N 1 0 271.335 3.478 20 10 CGCDRO CC(=O)[C@@H]1CCC[N@@H+]1Cc1cc2ccccc2cc1O ZINC001236833220 819613968 /nfs/dbraw/zinc/61/39/68/819613968.db2.gz AZDJSQZXKJHZJW-INIZCTEOSA-N 1 0 269.344 3.099 20 10 CGCDRO CC(C)c1ccc(CN2CCC(=O)[C@H](F)CC2)c(O)c1 ZINC001237044191 819649016 /nfs/dbraw/zinc/64/90/16/819649016.db2.gz BJPWXWRUIRYKOS-CQSZACIVSA-N 1 0 279.355 3.019 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2CC(C)(C)C[C@@]2(C)CO)c(O)c1 ZINC001237045835 819650674 /nfs/dbraw/zinc/65/06/74/819650674.db2.gz LJRDOQXSYILYCS-SFHVURJKSA-N 1 0 291.435 3.499 20 10 CGCDRO Cc1cc(C[N@@H+](C)Cc2ccc(C(C)C)cc2O)n(C)n1 ZINC001237054363 819653718 /nfs/dbraw/zinc/65/37/18/819653718.db2.gz WTAFFCOUCCVSBX-UHFFFAOYSA-N 1 0 287.407 3.190 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001237116138 819671962 /nfs/dbraw/zinc/67/19/62/819671962.db2.gz XVOXUKHAQQGPAF-SECBINFHSA-N 1 0 275.270 3.133 20 10 CGCDRO Oc1cc(Cl)c(F)cc1CN1CC[NH2+]C2=CCCC[C@H]21 ZINC001237231367 819706475 /nfs/dbraw/zinc/70/64/75/819706475.db2.gz XBYXJHDQLNCJGR-CQSZACIVSA-N 1 0 296.773 3.026 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCC(=O)[C@H]2CCCC[C@H]21 ZINC001237483707 819760281 /nfs/dbraw/zinc/76/02/81/819760281.db2.gz RHXWBNSOAUZKTE-DZGCQCFKSA-N 1 0 273.376 3.034 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+]2CC(C)(C)C[C@@]2(C)CO)c1O ZINC001237681746 819805488 /nfs/dbraw/zinc/80/54/88/819805488.db2.gz QGEDHZFGTLTWMF-INIZCTEOSA-N 1 0 297.826 3.337 20 10 CGCDRO Cc1cc(F)cc(C[NH+]2CC3(C2)CC(F)(F)C3)c1O ZINC001238055723 819918850 /nfs/dbraw/zinc/91/88/50/819918850.db2.gz CKMAPBFVXHTNHB-UHFFFAOYSA-N 1 0 271.282 3.071 20 10 CGCDRO Cc1cc(F)cc(C[N@@H+]2CCCC[C@H](F)C2)c1O ZINC001238057748 819919113 /nfs/dbraw/zinc/91/91/13/819919113.db2.gz MBUIOLCRKMMOOM-LBPRGKRZSA-N 1 0 255.308 3.164 20 10 CGCDRO Cc1cc(F)cc(C[N@H+]2CCC[C@@H]2C(C)C)c1O ZINC001238069349 819922265 /nfs/dbraw/zinc/92/22/65/819922265.db2.gz YHVQGIAAGFDHHY-CQSZACIVSA-N 1 0 251.345 3.460 20 10 CGCDRO Cc1cc(F)cc(C[N@H+](C)Cc2cccnc2C)c1O ZINC001238066821 819923620 /nfs/dbraw/zinc/92/36/20/819923620.db2.gz MJJDBCUMOWKPTO-UHFFFAOYSA-N 1 0 274.339 3.175 20 10 CGCDRO C[N@H+](Cc1cncc(C2CC2)c1)Cc1ccccc1O ZINC001238187399 819949586 /nfs/dbraw/zinc/94/95/86/819949586.db2.gz AKQZPCCELPQSRC-UHFFFAOYSA-N 1 0 268.360 3.297 20 10 CGCDRO CN1CCC(C)(C)c2cc(C3=CC[NH2+]CC3)ccc21 ZINC001240470163 821077680 /nfs/dbraw/zinc/07/76/80/821077680.db2.gz CASTUSFOMDPGEI-UHFFFAOYSA-N 1 0 256.393 3.181 20 10 CGCDRO Cc1cncc(CC[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3C)n1 ZINC001330325010 935285000 /nfs/dbraw/zinc/28/50/00/935285000.db2.gz ZZPJTWFFAIYQFP-DOMZBBRYSA-N 1 0 297.402 3.180 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H](C)Cc1cnn(C)c1 ZINC001344437512 936534567 /nfs/dbraw/zinc/53/45/67/936534567.db2.gz GYUAQBQCWMGRAL-IPYPFGDCSA-N 1 0 299.418 3.203 20 10 CGCDRO COc1cc(C)c(C[NH2+]C[C@H](C)CC(F)F)c(O)c1 ZINC001474594874 937207039 /nfs/dbraw/zinc/20/70/39/937207039.db2.gz MWTYUEYTBGDZSE-SECBINFHSA-N 1 0 273.323 3.090 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCN2CCCC[C@@H]12)c1ccccc1O ZINC000217659015 928158092 /nfs/dbraw/zinc/15/80/92/928158092.db2.gz VZSSWQBMEICTLX-XHSDSOJGSA-N 1 0 274.408 3.060 20 10 CGCDRO Cc1ccnc([C@H]2CC[N@@H+](Cc3ccc(N(C)C)cc3)C2)c1 ZINC000846970631 928204838 /nfs/dbraw/zinc/20/48/38/928204838.db2.gz RHDLZHXOTIKKRE-KRWDZBQOSA-N 1 0 295.430 3.446 20 10 CGCDRO OC[C@H]([NH2+]Cc1ccc(Cl)cc1O)c1ccc(F)cc1 ZINC001462273951 928789113 /nfs/dbraw/zinc/78/91/13/928789113.db2.gz SKFZXIHRMFCRTD-AWEZNQCLSA-N 1 0 295.741 3.008 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCCSC[C@@H]2C)cc1 ZINC001460919545 937553110 /nfs/dbraw/zinc/55/31/10/937553110.db2.gz ZMAXUZLCZNJGIR-AWEZNQCLSA-N 1 0 278.465 3.470 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)C2)cc1F ZINC001461591777 937587835 /nfs/dbraw/zinc/58/78/35/937587835.db2.gz DSKMPZJWHXGRDD-OKILXGFUSA-N 1 0 294.414 3.327 20 10 CGCDRO C[C@H]1C[C@H](C)[N@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC001461858495 937601686 /nfs/dbraw/zinc/60/16/86/937601686.db2.gz GXGWPPZKTHVHCR-QWRGUYRKSA-N 1 0 268.351 3.261 20 10 CGCDRO C[N@H+](Cc1ccc(O)cc1)Cc1ccc(Cl)cc1O ZINC001462199105 937624512 /nfs/dbraw/zinc/62/45/12/937624512.db2.gz HOZKMHIMNNQUPR-UHFFFAOYSA-N 1 0 277.751 3.383 20 10 CGCDRO CCOC1CC([NH2+][C@H](C)Cc2ccc(N(C)C)cc2C)C1 ZINC001462354618 937635258 /nfs/dbraw/zinc/63/52/58/937635258.db2.gz IPZSZKVJUKIPDB-MXWWQKGMSA-N 1 0 290.451 3.149 20 10 CGCDRO Oc1cc(Cl)ccc1C[NH2+][C@H]1CCC[C@H](F)C1 ZINC001462362706 937635606 /nfs/dbraw/zinc/63/56/06/937635606.db2.gz CFYDJBDIPWDPGW-RYUDHWBXSA-N 1 0 257.736 3.416 20 10 CGCDRO C/C=C/C[C@H](CO)[NH2+]Cc1ccc(OCCC)c(C)c1 ZINC001308380258 933104373 /nfs/dbraw/zinc/10/43/73/933104373.db2.gz HFXOPVVTSZQWFZ-MQDFFIGUSA-N 1 0 277.408 3.201 20 10 CGCDRO O[C@@H](CC[NH2+]Cc1ccc2c(c1)CCCO2)C1CCCC1 ZINC001308496227 933119518 /nfs/dbraw/zinc/11/95/18/933119518.db2.gz SBZSZHWLVSDAQQ-KRWDZBQOSA-N 1 0 289.419 3.042 20 10 CGCDRO CC1(C)CC[C@@H](CO)[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC001308915652 933203844 /nfs/dbraw/zinc/20/38/44/933203844.db2.gz YXDPEAQZQIPABA-LBPRGKRZSA-N 1 0 283.799 3.029 20 10 CGCDRO COc1cc(C)c(C[NH2+]CC2(CC3CC3)CC2)c(O)c1 ZINC001308920018 933205162 /nfs/dbraw/zinc/20/51/62/933205162.db2.gz GCCVJPVAZYHWFE-UHFFFAOYSA-N 1 0 275.392 3.379 20 10 CGCDRO COc1cc(C)cc(C[N@H+](C)CCC(F)(F)F)c1O ZINC001319688766 933914284 /nfs/dbraw/zinc/91/42/84/933914284.db2.gz ALAHVKTXJPMQNJ-UHFFFAOYSA-N 1 0 277.286 3.093 20 10 CGCDRO CC[C@H](C)[C@H](O)C[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC001320411693 934045562 /nfs/dbraw/zinc/04/55/62/934045562.db2.gz RBAHGIWEZUZKNP-XTWPYSKKSA-N 1 0 277.408 3.246 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCCC[C@H]1N(C)C)c1cc(F)ccc1O ZINC001323831262 934429190 /nfs/dbraw/zinc/42/91/90/934429190.db2.gz KPAMWDNWVWNWRD-TUKIKUTGSA-N 1 0 280.387 3.055 20 10 CGCDRO CO[C@]1(C)C[C@H]([N@H+](C)Cc2ccc(N(C)C)cc2)C1(C)C ZINC001473187885 937796422 /nfs/dbraw/zinc/79/64/22/937796422.db2.gz UFAXMPKWVSCCNR-FUHWJXTLSA-N 1 0 290.451 3.388 20 10 CGCDRO Cc1cc(C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3C)ncn1 ZINC001325355825 934906574 /nfs/dbraw/zinc/90/65/74/934906574.db2.gz GAMWHZCZWQPHOR-RISCZKNCSA-N 1 0 283.375 3.137 20 10 CGCDRO [NH3+]Cc1ccc(NCc2ccc(N3CCCC3)cc2)cc1 ZINC001325627164 934921549 /nfs/dbraw/zinc/92/15/49/934921549.db2.gz ULMZSRFUUCHFLG-UHFFFAOYSA-N 1 0 281.403 3.358 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+][C@H]2CCC[C@H](F)C2)c1O ZINC001326303926 934968590 /nfs/dbraw/zinc/96/85/90/934968590.db2.gz VMXUXRGDZIDZOE-RYUDHWBXSA-N 1 0 287.762 3.425 20 10 CGCDRO COc1ccc(N2CCC([NH2+]C/C=C/C3CC3)CC2)cc1 ZINC001326327764 934970741 /nfs/dbraw/zinc/97/07/41/934970741.db2.gz ZNPXGTFJNGMRRD-NSCUHMNNSA-N 1 0 286.419 3.220 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC001329588981 935231005 /nfs/dbraw/zinc/23/10/05/935231005.db2.gz UCNUGWVBMGHGCU-AYRXBEOTSA-N 1 0 287.403 3.142 20 10 CGCDRO CO[C@@H]1CC[C@H]([NH2+]Cc2ccc3ccccc3c2O)C1 ZINC001330432166 935288594 /nfs/dbraw/zinc/28/85/94/935288594.db2.gz MJVKKCSTUIUNBU-LSDHHAIUSA-N 1 0 271.360 3.203 20 10 CGCDRO C[C@@H]([NH2+]Cc1cccn1C1CC1)c1ccccc1O ZINC001330806499 935323473 /nfs/dbraw/zinc/32/34/73/935323473.db2.gz QGZZSBZCOCDTJY-GFCCVEGCSA-N 1 0 256.349 3.379 20 10 CGCDRO COc1cc(C)c(C[NH2+]CC(C)(C)C2CC2)c(O)c1 ZINC001474727442 937877417 /nfs/dbraw/zinc/87/74/17/937877417.db2.gz CTEGHQYYXJQNFR-UHFFFAOYSA-N 1 0 263.381 3.235 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+]CCC2CSC2)c1 ZINC001474757701 937879065 /nfs/dbraw/zinc/87/90/65/937879065.db2.gz YPPHQLQXTCBUIX-UHFFFAOYSA-N 1 0 265.422 3.358 20 10 CGCDRO COC[C@@H](C[NH2+]Cc1ccc2c(c1)CCCO2)C(C)C ZINC001560600809 938264725 /nfs/dbraw/zinc/26/47/25/938264725.db2.gz BMZYNOCYSQNUNC-MRXNPFEDSA-N 1 0 277.408 3.020 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+][C@@H]2CS[C@@H](C)C2)c1 ZINC001560887753 938282147 /nfs/dbraw/zinc/28/21/47/938282147.db2.gz WWHJVWIYLNNYOQ-FZMZJTMJSA-N 1 0 265.422 3.499 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH+]2CCC(O)(C(C)C)CC2)c1 ZINC001561046508 938291512 /nfs/dbraw/zinc/29/15/12/938291512.db2.gz OTOBTHONFGFZOG-UHFFFAOYSA-N 1 0 291.435 3.499 20 10 CGCDRO COc1ccc(O)c(C[N@H+](C)CCC(=O)c2ccccc2)c1 ZINC001203679017 957892118 /nfs/dbraw/zinc/89/21/18/957892118.db2.gz XJRLJGGQUPSPAR-UHFFFAOYSA-N 1 0 299.370 3.106 20 10 CGCDRO C[C@H]1CCc2nc(C[NH2+]Cc3ccc(N)cc3)sc2C1 ZINC001576757919 962493911 /nfs/dbraw/zinc/49/39/11/962493911.db2.gz FEZZJMGKAPUKCK-NSHDSACASA-N 1 0 287.432 3.140 20 10 CGCDRO CC[C@@H](C)[NH2+]Cc1ccc(Br)cc1O ZINC000691394091 799784137 /nfs/dbraw/zinc/78/41/37/799784137.db2.gz ZUIANJAHROIKJR-MRVPVSSYSA-N 1 0 258.159 3.043 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](CCO)C(C)C)cc1 ZINC000123553085 370912644 /nfs/dbraw/zinc/91/26/44/370912644.db2.gz SOJHGXUOEQLAJY-YOEHRIQHSA-N 1 0 278.440 3.200 20 10 CGCDRO CCC[N@H+](Cc1ccnn1CC)Cc1ccccc1O ZINC000124039542 370919061 /nfs/dbraw/zinc/91/90/61/370919061.db2.gz ZFVDUTBQISURNY-UHFFFAOYSA-N 1 0 273.380 3.021 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2CCCN2CC)cc1 ZINC000022935915 368814606 /nfs/dbraw/zinc/81/46/06/368814606.db2.gz GYVRINJUSAZLKL-GOSISDBHSA-N 1 0 289.467 3.107 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC000019909039 368780243 /nfs/dbraw/zinc/78/02/43/368780243.db2.gz HSIWRLQFYFMODL-LBPRGKRZSA-N 1 0 257.333 3.252 20 10 CGCDRO CCOc1cccc(C[NH2+]CCc2ccccc2F)c1O ZINC000019912698 368781394 /nfs/dbraw/zinc/78/13/94/368781394.db2.gz RXEPDSCBMSKUGF-UHFFFAOYSA-N 1 0 289.350 3.262 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCOC2CCCCC2)c1 ZINC000111635863 370402918 /nfs/dbraw/zinc/40/29/18/370402918.db2.gz CODXUTVSRDAOLB-CYBMUJFWSA-N 1 0 293.407 3.401 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1cccc(O)c1 ZINC000113336422 370471598 /nfs/dbraw/zinc/47/15/98/370471598.db2.gz WICDEHJITQKQKB-LBPRGKRZSA-N 1 0 288.366 3.448 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2cccnc2OC)cc1 ZINC000151142528 371576674 /nfs/dbraw/zinc/57/66/74/371576674.db2.gz SHIVBGVEGYHGHU-AWEZNQCLSA-N 1 0 299.418 3.397 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCOC[C@H]2C)c(O)c1C ZINC000287342617 371642342 /nfs/dbraw/zinc/64/23/42/371642342.db2.gz GLDJZDNKYBOIIO-SNPRPXQTSA-N 1 0 277.408 3.332 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2COc3ccccc32)cc1C ZINC000288580140 371741239 /nfs/dbraw/zinc/74/12/39/371741239.db2.gz NSBRZEPAGGOHOY-HNNXBMFYSA-N 1 0 283.371 3.275 20 10 CGCDRO CCCOc1ccc(C[N@H+](C)C[C@@H]2CCCOC2)c(O)c1 ZINC000156032124 371958839 /nfs/dbraw/zinc/95/88/39/371958839.db2.gz WDSLOBGSELBINB-AWEZNQCLSA-N 1 0 293.407 3.039 20 10 CGCDRO CC[C@@H]([NH2+]CCCOC1CCOCC1)c1ccccc1O ZINC000156657134 371989682 /nfs/dbraw/zinc/98/96/82/371989682.db2.gz IWBHCYXZUGHHQN-MRXNPFEDSA-N 1 0 293.407 3.019 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1ccc(N(C)C)cc1 ZINC000159941309 372196290 /nfs/dbraw/zinc/19/62/90/372196290.db2.gz HKICMCRQPRGPDD-DZGCQCFKSA-N 1 0 276.424 3.361 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2nccs2)c(O)c1 ZINC000293594129 372420402 /nfs/dbraw/zinc/42/04/02/372420402.db2.gz FPNPYCBCGFPYRJ-LLVKDONJSA-N 1 0 262.378 3.316 20 10 CGCDRO C[C@H](O)CC[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000293613579 372425692 /nfs/dbraw/zinc/42/56/92/372425692.db2.gz GSRTVKBOYDUUJV-MAUKXSAKSA-N 1 0 299.414 3.427 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H](O)Cc2ccccc2)c(O)c1 ZINC000293792273 372482709 /nfs/dbraw/zinc/48/27/09/372482709.db2.gz QQUKZOCUXOBNDS-DOTOQJQBSA-N 1 0 299.414 3.263 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2cnccc2OC)cc1 ZINC000294039194 372562979 /nfs/dbraw/zinc/56/29/79/372562979.db2.gz FYRMUPDVQKGFQE-CQSZACIVSA-N 1 0 299.418 3.397 20 10 CGCDRO Cc1cc(C)n(CCC[NH2+][C@@H](C)c2ccc(C)cc2O)n1 ZINC000168735920 372617674 /nfs/dbraw/zinc/61/76/74/372617674.db2.gz WFNCDZCYYQAGPV-HNNXBMFYSA-N 1 0 287.407 3.255 20 10 CGCDRO CSC(C)(C)C[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000168812983 372620947 /nfs/dbraw/zinc/62/09/47/372620947.db2.gz IKFBIMSHARLYQC-NSHDSACASA-N 1 0 253.411 3.493 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CSCCS2)c(O)c1 ZINC000168820038 372621585 /nfs/dbraw/zinc/62/15/85/372621585.db2.gz LCARNPLESUOYBE-NEPJUHHUSA-N 1 0 283.462 3.200 20 10 CGCDRO C[C@H]([NH2+]C[C@](C)(O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000169135988 372625967 /nfs/dbraw/zinc/62/59/67/372625967.db2.gz STJKBXRVEOWLTN-KXBFYZLASA-N 1 0 298.430 3.311 20 10 CGCDRO CC[C@H](C)[C@@H](C[NH2+][C@H](C)c1ccccc1O)OC ZINC000294285540 372639600 /nfs/dbraw/zinc/63/96/00/372639600.db2.gz TVISGQGDAXGWMA-YWPYICTPSA-N 1 0 251.370 3.104 20 10 CGCDRO CCCOc1ccc(C[N@@H+]2CC[C@](C)(COC)C2)c(O)c1 ZINC000294298645 372642475 /nfs/dbraw/zinc/64/24/75/372642475.db2.gz UVWHBLRJAKZPHR-KRWDZBQOSA-N 1 0 293.407 3.039 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C2CC(F)(F)C2)c(O)c1 ZINC000294355258 372651878 /nfs/dbraw/zinc/65/18/78/372651878.db2.gz PZWVAJYSLUGQLG-SNVBAGLBSA-N 1 0 255.308 3.457 20 10 CGCDRO CC[C@H](COCC(F)(F)F)[NH2+]Cc1cccc(C)c1O ZINC000295199822 372698619 /nfs/dbraw/zinc/69/86/19/372698619.db2.gz YOOPWINRGACFAM-GFCCVEGCSA-N 1 0 291.313 3.148 20 10 CGCDRO CCC[N@H+](Cc1ccccc1O)Cc1cc(F)ncc1F ZINC000294668342 372665757 /nfs/dbraw/zinc/66/57/57/372665757.db2.gz CNFCTEHXNDSPDM-UHFFFAOYSA-N 1 0 292.329 3.478 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2cccc(C(F)(F)F)n2)c1 ZINC000294766803 372670209 /nfs/dbraw/zinc/67/02/09/372670209.db2.gz JVAYJTACMWBHQN-UHFFFAOYSA-N 1 0 296.292 3.404 20 10 CGCDRO Cc1ccc(O)c(CNc2ccc3c([nH+]2)CCC3)c1 ZINC000294796403 372672287 /nfs/dbraw/zinc/67/22/87/372672287.db2.gz ICPUDFVWGNERPU-UHFFFAOYSA-N 1 0 254.333 3.196 20 10 CGCDRO CCOc1cccc(CNc2ccc3c([nH+]2)CCC3)c1O ZINC000294798464 372672667 /nfs/dbraw/zinc/67/26/67/372672667.db2.gz IFOUIOKQUPMJPY-UHFFFAOYSA-N 1 0 284.359 3.287 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C[C@H]2CCCCC2(F)F)c1 ZINC000295067067 372690676 /nfs/dbraw/zinc/69/06/76/372690676.db2.gz GZPJANBFNSYKOD-GFCCVEGCSA-N 1 0 285.334 3.316 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CCC[C@](C)(F)C2)c1O ZINC000295585695 372837098 /nfs/dbraw/zinc/83/70/98/372837098.db2.gz BTVGLWUHKNWYPU-HNNXBMFYSA-N 1 0 267.344 3.115 20 10 CGCDRO C[C@H](O)c1ccc(C[NH2+][C@@H]2CCc3cccc(O)c32)cc1 ZINC000295954796 372973583 /nfs/dbraw/zinc/97/35/83/372973583.db2.gz LRTCFQPHOBXHIP-BLLLJJGKSA-N 1 0 283.371 3.223 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@H]1CCC(F)(F)C1)CC2 ZINC000296228559 373059768 /nfs/dbraw/zinc/05/97/68/373059768.db2.gz AIMNEFUMDKACSJ-JQWIXIFHSA-N 1 0 267.319 3.405 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCOC2(C)C)c(O)c1C ZINC000296359502 373102515 /nfs/dbraw/zinc/10/25/15/373102515.db2.gz IRMDYVZTXCMJDU-TZMCWYRMSA-N 1 0 263.381 3.227 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](C)CC(C)(C)O)cc1 ZINC000296265203 373073168 /nfs/dbraw/zinc/07/31/68/373073168.db2.gz DKIMOEDZPZPRTQ-KBPBESRZSA-N 1 0 278.440 3.343 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)CC(C)(C)O)c(O)c1C ZINC000296587665 373187543 /nfs/dbraw/zinc/18/75/43/373187543.db2.gz UTYCJHNASHYXTD-WCQYABFASA-N 1 0 265.397 3.209 20 10 CGCDRO C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297637321 373276352 /nfs/dbraw/zinc/27/63/52/373276352.db2.gz JOMICNUGNQIRLX-WBMJQRKESA-N 1 0 283.371 3.306 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CC[C@@H](C)CCO)c(O)c1 ZINC000297340685 373268937 /nfs/dbraw/zinc/26/89/37/373268937.db2.gz OLLFSLNIOHRLSK-BXUZGUMPSA-N 1 0 265.397 3.068 20 10 CGCDRO CN(C)c1cccc(C[NH2+][C@@H]2CCc3cccc(O)c32)c1 ZINC000297960616 373286985 /nfs/dbraw/zinc/28/69/85/373286985.db2.gz ZGQCYHAAZRGKKG-MRXNPFEDSA-N 1 0 282.387 3.235 20 10 CGCDRO Cn1cncc1C[N@H+](Cc1ccccc1O)C1CCCCC1 ZINC000177047595 373650472 /nfs/dbraw/zinc/65/04/72/373650472.db2.gz XZVSWQNWCNCDMF-UHFFFAOYSA-N 1 0 299.418 3.461 20 10 CGCDRO COc1ccc(O)c(C[N@H+]([C@@H](C)C2CC2)C2CC2)c1 ZINC000179731146 373909085 /nfs/dbraw/zinc/90/90/85/373909085.db2.gz GMSFGQNJGGXFAL-NSHDSACASA-N 1 0 261.365 3.164 20 10 CGCDRO [O-]c1c(Cl)cccc1CN1CCCC[C@H]1c1ncc[nH]1 ZINC000179938000 373941729 /nfs/dbraw/zinc/94/17/29/373941729.db2.gz AAKINMKQPBRUEO-ZDUSSCGKSA-N 1 0 291.782 3.496 20 10 CGCDRO CCC1(CO)CC[NH+](Cc2cc(Cl)cc(C)c2O)CC1 ZINC000180383515 373996357 /nfs/dbraw/zinc/99/63/57/373996357.db2.gz JTSSPUHNFOEPDK-UHFFFAOYSA-N 1 0 297.826 3.339 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+][C@@H]1CCCc2occc21 ZINC000180450459 374009056 /nfs/dbraw/zinc/00/90/56/374009056.db2.gz FDOIPEGEVKODTN-CYBMUJFWSA-N 1 0 261.296 3.292 20 10 CGCDRO CSC[C@H]1CCC[N@@H+]1Cc1cccc(C)c1O ZINC000180534651 374017910 /nfs/dbraw/zinc/01/79/10/374017910.db2.gz QWDJMUCIIBHFDB-CYBMUJFWSA-N 1 0 251.395 3.028 20 10 CGCDRO CC[C@@H](C[NH2+][C@H](C)c1cc(C)ccc1O)N1CCCC1 ZINC000184990689 374574826 /nfs/dbraw/zinc/57/48/26/374574826.db2.gz YKDJWIFCZKLGIE-CABCVRRESA-N 1 0 276.424 3.226 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+][C@H](CCO)c2ccco2)c1O ZINC000187528749 375035236 /nfs/dbraw/zinc/03/52/36/375035236.db2.gz GJOGCJGCEMWJRR-CYBMUJFWSA-N 1 0 295.766 3.160 20 10 CGCDRO CC(C)N(C)c1ccc(C[N@H+](C)Cc2ccccc2O)cn1 ZINC000191253492 375600901 /nfs/dbraw/zinc/60/09/01/375600901.db2.gz CULJORPVFJGOPQ-UHFFFAOYSA-N 1 0 299.418 3.264 20 10 CGCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCS[C@@H](C)CC2)c1O ZINC000192172100 375706215 /nfs/dbraw/zinc/70/62/15/375706215.db2.gz LPLGBOXKYLYOLP-JTQLQIEISA-N 1 0 297.395 3.061 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)OCO2)c1ccc(N(C)C)cc1 ZINC000192936670 375806640 /nfs/dbraw/zinc/80/66/40/375806640.db2.gz NEJCLGAAXNGDHI-ZDUSSCGKSA-N 1 0 298.386 3.332 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1cccc(Cl)c1[O-] ZINC000530219365 375939934 /nfs/dbraw/zinc/93/99/34/375939934.db2.gz ZYFBWFURYPPPSZ-UONOGXRCSA-N 1 0 294.826 3.371 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)c1 ZINC000271794300 378503828 /nfs/dbraw/zinc/50/38/28/378503828.db2.gz HRCKNABSGXABIB-CZUORRHYSA-N 1 0 293.407 3.084 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2C[C@H](C)CC2(C)C)cc1OC ZINC000271903924 378512301 /nfs/dbraw/zinc/51/23/01/378512301.db2.gz ZVQCFVYXNWZSMT-LLVKDONJSA-N 1 0 279.380 3.030 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000272353625 378618940 /nfs/dbraw/zinc/61/89/40/378618940.db2.gz DNQCVEFOBUQCOU-AWEZNQCLSA-N 1 0 299.374 3.032 20 10 CGCDRO C[C@H]([NH2+]C[C@@H](O)CCc1ccccc1)c1ccccc1O ZINC000273193061 378737702 /nfs/dbraw/zinc/73/77/02/378737702.db2.gz HHDYOSPPWUVXNT-HOCLYGCPSA-N 1 0 285.387 3.037 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccccc2)c(O)c1C ZINC000273433926 378745664 /nfs/dbraw/zinc/74/56/64/378745664.db2.gz WLPIMCSPTCFJLW-RHSMWYFYSA-N 1 0 285.387 3.393 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCOC3(CCC3)C2)c1 ZINC000273463353 378747319 /nfs/dbraw/zinc/74/73/19/378747319.db2.gz INPZDFKNFUMJPX-CHWSQXEVSA-N 1 0 291.391 3.153 20 10 CGCDRO C[C@H](Cn1cccn1)[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000273475311 378747658 /nfs/dbraw/zinc/74/76/58/378747658.db2.gz KNLYUWSPIAUPSZ-ZIAGYGMSSA-N 1 0 295.386 3.481 20 10 CGCDRO C[C@@H](CO)CCC[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000273475354 378748952 /nfs/dbraw/zinc/74/89/52/378748952.db2.gz KONAIGDVVUETPS-KGLIPLIRSA-N 1 0 291.435 3.330 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCO[C@@H](C(C)C)C2)c1 ZINC000273499820 378749715 /nfs/dbraw/zinc/74/97/15/378749715.db2.gz PZWXGXDQLIDRBU-OGHNNQOOSA-N 1 0 293.407 3.255 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc(N(C)C)n2)c(O)c1C ZINC000273481174 378749790 /nfs/dbraw/zinc/74/97/90/378749790.db2.gz LZPRUJICFYEISA-AWEZNQCLSA-N 1 0 299.418 3.321 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCc3cn[nH]c32)c1 ZINC000273520656 378751994 /nfs/dbraw/zinc/75/19/94/378751994.db2.gz UHPLXHZSGARYPD-FZMZJTMJSA-N 1 0 271.364 3.152 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2c3ccccc3C[C@H]2O)c(O)c1C ZINC000273579345 378753895 /nfs/dbraw/zinc/75/38/95/378753895.db2.gz MGBGGVWGSSNOFS-VHSSKADRSA-N 1 0 297.398 3.318 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)c1cnn(C)c1 ZINC000273583472 378754695 /nfs/dbraw/zinc/75/46/95/378754695.db2.gz NDLFUCAWXYLATF-OLZOCXBDSA-N 1 0 299.418 3.416 20 10 CGCDRO CO[C@H]1CC[N@H+](Cc2cc(C)c(C)cc2O)[C@@H](C)C1 ZINC000282114742 379856453 /nfs/dbraw/zinc/85/64/53/379856453.db2.gz ALPVEAFZLCXIRJ-ZFWWWQNUSA-N 1 0 263.381 3.008 20 10 CGCDRO CC[C@H]([NH2+]CC1([S@](C)=O)CCC1)c1ccc(C)cc1O ZINC000281137335 379820163 /nfs/dbraw/zinc/82/01/63/379820163.db2.gz UHVJVYFQTMFCFH-XOBRGWDASA-N 1 0 295.448 3.043 20 10 CGCDRO CCC[N@H+](CCc1ccnn1CC)Cc1ccccc1O ZINC000284323332 380139271 /nfs/dbraw/zinc/13/92/71/380139271.db2.gz IDLMWYYWPNRTMM-UHFFFAOYSA-N 1 0 287.407 3.063 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+][C@@H](CCO)c2ccco2)c(O)c1 ZINC000284910033 380143250 /nfs/dbraw/zinc/14/32/50/380143250.db2.gz CPCIHJYTSJTKKA-KGLIPLIRSA-N 1 0 289.375 3.376 20 10 CGCDRO CO[C@@H](C[NH2+][C@@H](C)c1c(C)cc(C)cc1O)C(C)C ZINC000284177912 380134770 /nfs/dbraw/zinc/13/47/70/380134770.db2.gz QVMGMGHRDUTYSU-ZFWWWQNUSA-N 1 0 265.397 3.331 20 10 CGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H]1CN(C2CC2)C[C@@H]1C ZINC000355140595 380596483 /nfs/dbraw/zinc/59/64/83/380596483.db2.gz XZBOMXVRWTZRNZ-GUYCJALGSA-N 1 0 297.446 3.059 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCc2nc[nH]c2C1)c1ccc(C)cc1O ZINC000368101816 382364676 /nfs/dbraw/zinc/36/46/76/382364676.db2.gz LQOPYDXADKEGER-JSGCOSHPSA-N 1 0 285.391 3.022 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)c1ccc(N(C)C)cc1 ZINC000368100864 382365092 /nfs/dbraw/zinc/36/50/92/382365092.db2.gz IPQMAJPTTNWQGY-GDBMZVCRSA-N 1 0 298.434 3.074 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccnc(OC)c1)c1ccc(N(C)C)cc1 ZINC000131709343 392458373 /nfs/dbraw/zinc/45/83/73/392458373.db2.gz PASLPRJLFLBCLA-KRWDZBQOSA-N 1 0 299.418 3.397 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)cc1C ZINC000374154942 392671613 /nfs/dbraw/zinc/67/16/13/392671613.db2.gz BHVWJCRLWGCVAP-UAGQMJEPSA-N 1 0 289.419 3.302 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000179562462 392701735 /nfs/dbraw/zinc/70/17/35/392701735.db2.gz HQHVBAUJTXQOCT-UHFFFAOYSA-N 1 0 282.387 3.105 20 10 CGCDRO C[N@H+](CCc1ccc(F)cc1)Cc1ccccc1O ZINC000179561957 392702284 /nfs/dbraw/zinc/70/22/84/392702284.db2.gz AUZYKIYMSDDYEZ-UHFFFAOYSA-N 1 0 259.324 3.206 20 10 CGCDRO CCCOc1ccc(C[NH2+]CC2(SC)CC2)c(O)c1 ZINC000193661378 392882923 /nfs/dbraw/zinc/88/29/23/392882923.db2.gz SSTBYPKBGOMVIP-UHFFFAOYSA-N 1 0 281.421 3.166 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]Cc2nc(C)cs2)c1O ZINC000228670728 393020463 /nfs/dbraw/zinc/02/04/63/393020463.db2.gz JQKSJSJQQYIOBN-UHFFFAOYSA-N 1 0 298.795 3.109 20 10 CGCDRO COc1cccc(C[NH2+]C[C@@H](C)c2ccccc2)c1O ZINC000020137167 171024442 /nfs/dbraw/zinc/02/44/42/171024442.db2.gz ZNJZRBMOVOEXFF-CYBMUJFWSA-N 1 0 271.360 3.294 20 10 CGCDRO COc1cccc(C[NH2+]Cc2ccc(Cl)cc2)c1O ZINC000020209706 171073002 /nfs/dbraw/zinc/07/30/02/171073002.db2.gz PBBGOCFIOSSHBC-UHFFFAOYSA-N 1 0 277.751 3.344 20 10 CGCDRO Cc1csc(C[NH2+][C@H](C)c2ccc(C)cc2O)n1 ZINC000038090845 174104668 /nfs/dbraw/zinc/10/46/68/174104668.db2.gz QDTTZMSTZADQBB-LLVKDONJSA-N 1 0 262.378 3.316 20 10 CGCDRO Cc1c([C@@H](C)[NH2+][C@@H](C)c2ccc(C)cc2O)cnn1C ZINC000037167346 260071843 /nfs/dbraw/zinc/07/18/43/260071843.db2.gz DQEBJKGYLFBPBV-NWDGAFQWSA-N 1 0 273.380 3.154 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000037771514 260116322 /nfs/dbraw/zinc/11/63/22/260116322.db2.gz RMPPPIJGAQXXIX-CYBMUJFWSA-N 1 0 283.371 3.481 20 10 CGCDRO C[C@@H]([NH2+]CC(C)(C)C[C@H](C)O)c1ccc(N(C)C)cc1 ZINC000090086271 260238337 /nfs/dbraw/zinc/23/83/37/260238337.db2.gz RUZGPJYPZNFDFS-UONOGXRCSA-N 1 0 278.440 3.200 20 10 CGCDRO Cc1noc(C)c1C[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000092329137 260269043 /nfs/dbraw/zinc/26/90/43/260269043.db2.gz UENYQKMIKWMYQQ-JTQLQIEISA-N 1 0 260.337 3.156 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](C)CCOC)cc1 ZINC000152712914 261068440 /nfs/dbraw/zinc/06/84/40/261068440.db2.gz RULBVCIQKXVCQF-UONOGXRCSA-N 1 0 264.413 3.218 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CC[C@H](CO)CC2)cc1 ZINC000153121965 261073574 /nfs/dbraw/zinc/07/35/74/261073574.db2.gz XBXIUUWXHDIXPW-CALCHBBNSA-N 1 0 290.451 3.174 20 10 CGCDRO CC[C@@H]([NH2+]C[C@]1(C)CCCC[C@@H]1O)c1ccccc1O ZINC000156213872 261116436 /nfs/dbraw/zinc/11/64/36/261116436.db2.gz SODWGDUFNIXXMF-PVAVHDDUSA-N 1 0 277.408 3.374 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCO[C@H](C2CC2)C1)c1cc(F)ccc1O ZINC000157745722 261151648 /nfs/dbraw/zinc/15/16/48/261151648.db2.gz RLHBVWFKHSDTMO-NKFCBESUSA-N 1 0 279.355 3.140 20 10 CGCDRO CC(C)[C@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000159011955 261175935 /nfs/dbraw/zinc/17/59/35/261175935.db2.gz VAFVBVUIIQIUFO-LSDHHAIUSA-N 1 0 276.424 3.218 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H]2C2CCC2)cc1OC ZINC000160126750 261205841 /nfs/dbraw/zinc/20/58/41/261205841.db2.gz RVRHWUAJNUNGGT-AWEZNQCLSA-N 1 0 291.391 3.174 20 10 CGCDRO C[C@@H]([NH2+]CC1(C)COC1)c1ccc(N2CCCCC2)cc1 ZINC000164352477 261348549 /nfs/dbraw/zinc/34/85/49/261348549.db2.gz OUARMJXCFSZBJY-OAHLLOKOSA-N 1 0 288.435 3.364 20 10 CGCDRO COc1cc(Cl)cc(C[N@H+](C)[C@H](C)C2CC2)c1O ZINC000184680146 262025966 /nfs/dbraw/zinc/02/59/66/262025966.db2.gz LBNLPOOWUWWHCR-SECBINFHSA-N 1 0 269.772 3.285 20 10 CGCDRO C[C@H]([NH2+]CCc1ccccn1)c1cc(Cl)ccc1O ZINC000184839184 262030590 /nfs/dbraw/zinc/03/05/90/262030590.db2.gz ZHLLJKVEQQNDDB-NSHDSACASA-N 1 0 276.767 3.334 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccccc2F)c(O)c1 ZINC000185095961 262041178 /nfs/dbraw/zinc/04/11/78/262041178.db2.gz KIOGOPPMMAAJBO-SJKOYZFVSA-N 1 0 289.350 3.224 20 10 CGCDRO Cc1ccc([C@@H](O)C[NH2+][C@H](C)c2ccc(C)cc2O)cc1 ZINC000185099140 262041432 /nfs/dbraw/zinc/04/14/32/262041432.db2.gz INPPXXZOCGFBFM-KDOFPFPSSA-N 1 0 285.387 3.393 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)c2cccc(F)c2)c(O)c1 ZINC000185162863 262044232 /nfs/dbraw/zinc/04/42/32/262044232.db2.gz YIWLUJJWFDLGRJ-PXAZEXFGSA-N 1 0 289.350 3.224 20 10 CGCDRO Cc1noc(C)c1CC[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000185395842 262052786 /nfs/dbraw/zinc/05/27/86/262052786.db2.gz POIGDTJMYBENMD-NSHDSACASA-N 1 0 274.364 3.199 20 10 CGCDRO CC[C@@H](CCO)C[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000185676849 262065864 /nfs/dbraw/zinc/06/58/64/262065864.db2.gz PQEOSTHQNQQWPC-QWRGUYRKSA-N 1 0 271.788 3.105 20 10 CGCDRO Cc1cc(C[C@@H](C)[NH2+][C@H](C)c2ccc(C)cc2O)[nH]n1 ZINC000186131347 262080613 /nfs/dbraw/zinc/08/06/13/262080613.db2.gz MWYSUFZOIISSQF-DGCLKSJQSA-N 1 0 273.380 3.014 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCCOCC1)c1cc2c(cc1O)CCCC2 ZINC000186234638 262085623 /nfs/dbraw/zinc/08/56/23/262085623.db2.gz CXPUNEVCANXWTO-XJKSGUPXSA-N 1 0 289.419 3.491 20 10 CGCDRO C[C@H]([NH2+][C@@H](CCO)c1ccco1)c1cc(Cl)ccc1O ZINC000186558616 262099145 /nfs/dbraw/zinc/09/91/45/262099145.db2.gz CRPWLENWWKRMGF-GWCFXTLKSA-N 1 0 295.766 3.413 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1CCCN1C)c1ccc2ccccc2c1O ZINC000185142147 262303293 /nfs/dbraw/zinc/30/32/93/262303293.db2.gz XTIAGWVGASWRGY-UKRRQHHQSA-N 1 0 284.403 3.290 20 10 CGCDRO CC[C@@H](C)N(C)CC[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000185316467 262304586 /nfs/dbraw/zinc/30/45/86/262304586.db2.gz PAUSAHPXHINUOS-KGLIPLIRSA-N 1 0 264.413 3.082 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCSC2)c(O)c1 ZINC000285051408 263089682 /nfs/dbraw/zinc/08/96/82/263089682.db2.gz INJUEARGOQVXNN-NWDGAFQWSA-N 1 0 251.395 3.165 20 10 CGCDRO Cc1cccc(CCC[NH2+]Cc2c(O)cccc2Cl)n1 ZINC000285390169 263092695 /nfs/dbraw/zinc/09/26/95/263092695.db2.gz BWDKRLUIVVJLMX-UHFFFAOYSA-N 1 0 290.794 3.471 20 10 CGCDRO CO[C@@H](C[NH2+][C@@H]1CCc2cccc(O)c21)Cc1ccccc1 ZINC000296333350 263189895 /nfs/dbraw/zinc/18/98/95/263189895.db2.gz HJWTXGOBTXUFKE-IAGOWNOFSA-N 1 0 297.398 3.227 20 10 CGCDRO CCOc1cccc(C[NH2+][C@H](C)CCSCC)c1O ZINC000135296319 264567432 /nfs/dbraw/zinc/56/74/32/264567432.db2.gz JBPASDLJXJDIKG-GFCCVEGCSA-N 1 0 283.437 3.412 20 10 CGCDRO Cc1cc(O)c(C[NH+]2CCC(OCC3CC3)CC2)cc1C ZINC000369768362 267265242 /nfs/dbraw/zinc/26/52/42/267265242.db2.gz DQKZSKKKYVPZQL-UHFFFAOYSA-N 1 0 289.419 3.400 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CC[C@H](c3ccco3)C2)c1O ZINC000371332259 267391986 /nfs/dbraw/zinc/39/19/86/267391986.db2.gz OBYZFJZRSOMJKO-ZDUSSCGKSA-N 1 0 287.359 3.373 20 10 CGCDRO Cc1cc(O)c(C[NH+]2CCC(c3c[nH]cn3)CC2)cc1C ZINC000371332667 267392530 /nfs/dbraw/zinc/39/25/30/267392530.db2.gz AQLVAOJMMFGDOV-UHFFFAOYSA-N 1 0 285.391 3.112 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CCc2c1cccc2O)c1ccccc1O ZINC000272842006 278386896 /nfs/dbraw/zinc/38/68/96/278386896.db2.gz JUTVSIGBAUOKLE-ABAIWWIYSA-N 1 0 269.344 3.436 20 10 CGCDRO CC(C)[NH+]1CCC([NH2+][C@H](C)c2ccc(F)c(F)c2[O-])CC1 ZINC000187766778 279481913 /nfs/dbraw/zinc/48/19/13/279481913.db2.gz WLEXVHHDISOCRB-LLVKDONJSA-N 1 0 298.377 3.194 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCC[C@H]2OCC[C@@H]21)c1ccc(N(C)C)cc1 ZINC000124895254 290050308 /nfs/dbraw/zinc/05/03/08/290050308.db2.gz LTRNEOTWDMDEAY-HNONPPJISA-N 1 0 288.435 3.361 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+][C@@H]1[C@H]3CCO[C@@H]3C13CCCC3)CC2 ZINC000296672062 304845898 /nfs/dbraw/zinc/84/58/98/304845898.db2.gz FXRWBFRMBXHWIJ-DTDBQYNISA-N 1 0 299.414 3.317 20 10 CGCDRO CC[NH+]1CCC(CC[NH2+][C@H](C)c2ccc(F)cc2[O-])CC1 ZINC000185563766 327841006 /nfs/dbraw/zinc/84/10/06/327841006.db2.gz YUHADRSETYTTPX-CYBMUJFWSA-N 1 0 294.414 3.304 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1ccc2ccccc2c1O ZINC000185830527 327846800 /nfs/dbraw/zinc/84/68/00/327846800.db2.gz FGMBSYBHSUMWHI-VNHYZAJKSA-N 1 0 283.371 3.133 20 10 CGCDRO CCc1nc(C)c(C[NH2+][C@@H](C)c2cc(F)ccc2O)o1 ZINC000291855749 328124832 /nfs/dbraw/zinc/12/48/32/328124832.db2.gz HDYQXHKPBLKYCU-VIFPVBQESA-N 1 0 278.327 3.241 20 10 CGCDRO CCCOc1ccc(C[NH2+]C[C@@](C)(OC)C2CC2)c(O)c1 ZINC000291038580 328262179 /nfs/dbraw/zinc/26/21/79/328262179.db2.gz KHNVXAXAIOARFR-QGZVFWFLSA-N 1 0 293.407 3.086 20 10 CGCDRO CN(C)c1ccccc1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296996164 328293046 /nfs/dbraw/zinc/29/30/46/328293046.db2.gz SMNRZRVMNGQQRG-HNNXBMFYSA-N 1 0 282.387 3.235 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cnc3n2CCCC3)c(O)c1 ZINC000375270593 329002371 /nfs/dbraw/zinc/00/23/71/329002371.db2.gz VXJGJYBGDDBREE-CYBMUJFWSA-N 1 0 285.391 3.084 20 10 CGCDRO Cn1cccc1[C@H]1CCC[N@@H+]1Cc1ccccc1O ZINC000179887791 329212929 /nfs/dbraw/zinc/21/29/29/329212929.db2.gz PWNCKQBPNKDDFO-OAHLLOKOSA-N 1 0 256.349 3.068 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCN2C2CCCC2)c1 ZINC000528005298 330299536 /nfs/dbraw/zinc/29/95/36/330299536.db2.gz ZGYKIPMSQVLYMB-HOCLYGCPSA-N 1 0 288.435 3.368 20 10 CGCDRO Oc1ccccc1C[NH2+]C[C@@H]1CCC2(CCCCC2)O1 ZINC000229312799 333303460 /nfs/dbraw/zinc/30/34/60/333303460.db2.gz ICMLZWPRDOYLGX-HNNXBMFYSA-N 1 0 275.392 3.364 20 10 CGCDRO CCC1(C[NH2+][C@@H](C)c2ccccc2O)CCOCC1 ZINC000272806772 334756560 /nfs/dbraw/zinc/75/65/60/334756560.db2.gz CKRXUADYEZIQHV-ZDUSSCGKSA-N 1 0 263.381 3.250 20 10 CGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H](C)c1cncnc1C ZINC000568236645 334806978 /nfs/dbraw/zinc/80/69/78/334806978.db2.gz QXSKMUIBLUTJGA-CYBMUJFWSA-N 1 0 294.402 3.436 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](C)c2cn[nH]c2)cc1 ZINC000271422180 520289303 /nfs/dbraw/zinc/28/93/03/520289303.db2.gz BZXOWGLFUBRPHI-STQMWFEESA-N 1 0 272.396 3.278 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]Cc2cc[nH]c2)cc1 ZINC000086251267 520908437 /nfs/dbraw/zinc/90/84/37/520908437.db2.gz KNRSBESFFGEPGS-UHFFFAOYSA-N 1 0 257.381 3.151 20 10 CGCDRO COC[C@@H]([NH2+]Cc1cc(C)c(C)cc1O)c1ccco1 ZINC000080239804 522359942 /nfs/dbraw/zinc/35/99/42/522359942.db2.gz LHALSGRNGRNTAB-CQSZACIVSA-N 1 0 275.348 3.079 20 10 CGCDRO CC[C@H]([NH2+]CCCSC)c1ccc(C)cc1O ZINC000280007130 522586952 /nfs/dbraw/zinc/58/69/52/522586952.db2.gz GIZJOOYSWGAXDC-ZDUSSCGKSA-N 1 0 253.411 3.494 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](C)C[C@@H](C)O)c1ccc(C)cc1O ZINC000280064106 522606216 /nfs/dbraw/zinc/60/62/16/522606216.db2.gz KPTHKMZRXSKLDF-GUTXKFCHSA-N 1 0 265.397 3.148 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)Cc1cc(C)n[nH]1)c1ccc(C)cc1O ZINC000280026496 522691057 /nfs/dbraw/zinc/69/10/57/522691057.db2.gz HSRKRSAUEHVYMP-LRDDRELGSA-N 1 0 287.407 3.404 20 10 CGCDRO CC[C@@H]([NH2+]CC1(CO)CC2(CCC2)C1)c1ccccc1O ZINC000278847593 522822236 /nfs/dbraw/zinc/82/22/36/522822236.db2.gz QDXBFZJVHYQNCR-OAHLLOKOSA-N 1 0 289.419 3.376 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H](O)Cc1ccccc1)c1ccc(C)cc1O ZINC000280079182 522849809 /nfs/dbraw/zinc/84/98/09/522849809.db2.gz LQKWIMSGZGRWJM-FUHWJXTLSA-N 1 0 299.414 3.345 20 10 CGCDRO CC[C@@H]([NH2+][C@H](C)Cc1cc(C)n[nH]1)c1ccc(C)cc1O ZINC000280026502 522935944 /nfs/dbraw/zinc/93/59/44/522935944.db2.gz HSRKRSAUEHVYMP-MLGOLLRUSA-N 1 0 287.407 3.404 20 10 CGCDRO CC[C@@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1ccc(C)cc1O ZINC000280295859 522952160 /nfs/dbraw/zinc/95/21/60/522952160.db2.gz ZNMGLYYRWJNMOM-IIAWOOMASA-N 1 0 277.408 3.292 20 10 CGCDRO CO[C@@H](C[NH2+]Cc1cc(C)ccc1O)Cc1ccccc1 ZINC000294765524 523535097 /nfs/dbraw/zinc/53/50/97/523535097.db2.gz JOCKTJZOKIPEKT-QGZVFWFLSA-N 1 0 285.387 3.048 20 10 CGCDRO CC[C@@](C)(O)C[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000087011712 523674035 /nfs/dbraw/zinc/67/40/35/523674035.db2.gz UUCXKWRBNABXQY-SJKOYZFVSA-N 1 0 273.376 3.357 20 10 CGCDRO CC[C@H](C)N(C)CC[NH2+][C@@H](CC)c1ccccc1O ZINC000155583668 523921313 /nfs/dbraw/zinc/92/13/13/523921313.db2.gz ZIJLDQHFJHMLBJ-ZFWWWQNUSA-N 1 0 264.413 3.163 20 10 CGCDRO COc1ccc(CC[NH2+]Cc2cccc(C)c2O)cc1 ZINC000158077456 523974805 /nfs/dbraw/zinc/97/48/05/523974805.db2.gz CIGUKKGZFNRECL-UHFFFAOYSA-N 1 0 271.360 3.042 20 10 CGCDRO COc1ccc(N2CCC([NH2+]CCC(C)C)CC2)cc1 ZINC000151771974 524404291 /nfs/dbraw/zinc/40/42/91/524404291.db2.gz VJXOVCDVQNOVKX-UHFFFAOYSA-N 1 0 276.424 3.300 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2COc3ccccc32)c1 ZINC000290264290 524763241 /nfs/dbraw/zinc/76/32/41/524763241.db2.gz KXLABFROMGPYBM-OLZOCXBDSA-N 1 0 299.370 3.228 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@](C)(O)CC2)c1O ZINC000279644466 524865966 /nfs/dbraw/zinc/86/59/66/524865966.db2.gz JRXDWTRYVKELFD-OAHLLOKOSA-N 1 0 283.799 3.091 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]C[C@H](c2ccccc2)N(C)C)c1 ZINC000071406305 525349209 /nfs/dbraw/zinc/34/92/09/525349209.db2.gz SYNBAEFIVMXYOY-QGZVFWFLSA-N 1 0 284.403 3.093 20 10 CGCDRO C[C@H]([NH2+]CC[C@@H]1CCO[C@H](C)C1)c1ccccc1O ZINC000273175092 525363547 /nfs/dbraw/zinc/36/35/47/525363547.db2.gz CSWUVAHHECQXFX-HZSPNIEDSA-N 1 0 263.381 3.248 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)CN2CCCCC2)c1 ZINC000037154411 525364570 /nfs/dbraw/zinc/36/45/70/525364570.db2.gz VZJZQLGSLHLNDP-GJZGRUSLSA-N 1 0 276.424 3.226 20 10 CGCDRO C[C@H]([NH2+]CCc1cccs1)c1cc(F)ccc1O ZINC000094616729 525370985 /nfs/dbraw/zinc/37/09/85/525370985.db2.gz IMGKKYPHPPSDKE-JTQLQIEISA-N 1 0 265.353 3.486 20 10 CGCDRO C[C@H]([NH2+]Cc1ccccc1O)[C@H]1OCCc2sccc21 ZINC000291656146 525462643 /nfs/dbraw/zinc/46/26/43/525462643.db2.gz DLHUZVLERIORJE-MEDUHNTESA-N 1 0 289.400 3.246 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCOC3(CCC3)C2)c(O)c1 ZINC000273502141 525744546 /nfs/dbraw/zinc/74/45/46/525744546.db2.gz QJGVEWSLVTWJNZ-ZIAGYGMSSA-N 1 0 275.392 3.453 20 10 CGCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]C[C@H]1CC[C@H](O)C1 ZINC000276749394 526338386 /nfs/dbraw/zinc/33/83/86/526338386.db2.gz SSBWGKWDECJUHV-KSSFIOAISA-N 1 0 297.398 3.310 20 10 CGCDRO Cc1nccn1CCCC[NH2+]Cc1c(O)cccc1Cl ZINC000266156664 527404908 /nfs/dbraw/zinc/40/49/08/527404908.db2.gz MEBPBVNJZJOWED-UHFFFAOYSA-N 1 0 293.798 3.121 20 10 CGCDRO COc1ccc(C[NH2+]C[C@H](C)c2ccncc2)cc1C ZINC000749297055 571700008 /nfs/dbraw/zinc/70/00/08/571700008.db2.gz PPERJCUTGMLFDY-AWEZNQCLSA-N 1 0 270.376 3.292 20 10 CGCDRO COCCC[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000732205038 572451541 /nfs/dbraw/zinc/45/15/41/572451541.db2.gz XWJUIVKGXBQRQA-UHFFFAOYSA-N 1 0 263.381 3.173 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](CO)c2ccccc2C)cc1C ZINC000747100577 572560312 /nfs/dbraw/zinc/56/03/12/572560312.db2.gz MCWVDFPNUIWOAB-KRWDZBQOSA-N 1 0 285.387 3.135 20 10 CGCDRO COc1cccc(C[NH2+][C@H](C)CCc2ccc(C)o2)c1O ZINC000742381076 572572766 /nfs/dbraw/zinc/57/27/66/572572766.db2.gz WCJKLIURILCXTN-GFCCVEGCSA-N 1 0 289.375 3.413 20 10 CGCDRO c1ccc2c(c1)C=C(C[NH2+]Cc1ccc3c(c1)CCO3)CO2 ZINC000726605266 572588617 /nfs/dbraw/zinc/58/86/17/572588617.db2.gz AWIHIHQZWBJREX-UHFFFAOYSA-N 1 0 293.366 3.187 20 10 CGCDRO CC[C@@H](C[C@@H](C)CO)[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC000743499965 572666645 /nfs/dbraw/zinc/66/66/45/572666645.db2.gz RIOPLRPOFQTKHK-WBVHZDCISA-N 1 0 292.467 3.420 20 10 CGCDRO C[C@H](c1ccccc1)[C@H](CO)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000734845733 572687169 /nfs/dbraw/zinc/68/71/69/572687169.db2.gz DEDIBAATONMXEZ-BEFAXECRSA-N 1 0 298.430 3.007 20 10 CGCDRO CO[C@]1(C)C[C@@H]([NH2+]Cc2c(O)cccc2Cl)C1(C)C ZINC000744448316 572753929 /nfs/dbraw/zinc/75/39/29/572753929.db2.gz IBYQQUHVMDVKPH-UKRRQHHQSA-N 1 0 283.799 3.339 20 10 CGCDRO CO[C@@]1(C)C[C@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)C1(C)C ZINC000744448706 572754194 /nfs/dbraw/zinc/75/41/94/572754194.db2.gz MXNPXGDZBDZVLQ-RDJZCZTQSA-N 1 0 294.414 3.185 20 10 CGCDRO CCOCc1cc(C[NH2+]Cc2ccoc2C)ccc1OC ZINC000747853130 572951740 /nfs/dbraw/zinc/95/17/40/572951740.db2.gz ZMJUUEFOUOEIFP-UHFFFAOYSA-N 1 0 289.375 3.423 20 10 CGCDRO C[C@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccncc1 ZINC000749298811 572991702 /nfs/dbraw/zinc/99/17/02/572991702.db2.gz XOOBOIISHSWBQS-CYBMUJFWSA-N 1 0 287.382 3.180 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]CCOc1ccccc1 ZINC000083551399 618009394 /nfs/dbraw/zinc/00/93/94/618009394.db2.gz WDLTUIWFZUQSSZ-UHFFFAOYSA-N 1 0 277.751 3.214 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]CC[C@]2(C)C[C@@]2(F)Cl)c1 ZINC000846031911 618064769 /nfs/dbraw/zinc/06/47/69/618064769.db2.gz DBYPPPCPJFKDJE-KGLIPLIRSA-N 1 0 271.763 3.495 20 10 CGCDRO CCC(CC)(CC)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000086642186 618071724 /nfs/dbraw/zinc/07/17/24/618071724.db2.gz ASFLTDGHIWFQKZ-UHFFFAOYSA-N 1 0 265.353 3.179 20 10 CGCDRO COC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000307789397 618078867 /nfs/dbraw/zinc/07/88/67/618078867.db2.gz UZRGJLDKQCQZGI-CYBMUJFWSA-N 1 0 269.772 3.047 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]C2CCCCC2)c1O ZINC000076274219 618209811 /nfs/dbraw/zinc/20/98/11/618209811.db2.gz QDEYIMMLVGZEHO-UHFFFAOYSA-N 1 0 269.772 3.477 20 10 CGCDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccccc2O)c(Cl)c1 ZINC000168126216 618724831 /nfs/dbraw/zinc/72/48/31/618724831.db2.gz SWSAOWVTMZGHQY-UHFFFAOYSA-N 1 0 292.722 3.244 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000179557685 618795244 /nfs/dbraw/zinc/79/52/44/618795244.db2.gz LQMKDWCAUQMIIO-MRXNPFEDSA-N 1 0 267.372 3.457 20 10 CGCDRO Cc1ccoc1C[NH2+]Cc1cc(Br)ccc1O ZINC000310514850 618798011 /nfs/dbraw/zinc/79/80/11/618798011.db2.gz MDPKSSAGIPCRNY-UHFFFAOYSA-N 1 0 296.164 3.346 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H](C)C2CCCCC2)c1 ZINC000052332954 618823892 /nfs/dbraw/zinc/82/38/92/618823892.db2.gz PJIRYVSIOSESIC-LBPRGKRZSA-N 1 0 263.381 3.459 20 10 CGCDRO COc1ccnc([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2)c1 ZINC000924573340 618855956 /nfs/dbraw/zinc/85/59/56/618855956.db2.gz IASGHPVFDFPTJB-CYBMUJFWSA-N 1 0 285.391 3.007 20 10 CGCDRO CCC(CC)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000168761630 618913598 /nfs/dbraw/zinc/91/35/98/618913598.db2.gz XMEUZCVENXNIFB-NSHDSACASA-N 1 0 251.370 3.488 20 10 CGCDRO CSCCCC[NH2+][C@H](C)c1cc(C)ccc1O ZINC000168783618 618914263 /nfs/dbraw/zinc/91/42/63/618914263.db2.gz ZAQDHOQYSQXOML-GFCCVEGCSA-N 1 0 253.411 3.494 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H]1CCSC1 ZINC000840892547 618925760 /nfs/dbraw/zinc/92/57/60/618925760.db2.gz ASXTUEGTSAJSSE-ZFWWWQNUSA-N 1 0 278.465 3.087 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCC[C@H](CO)C1)c1ccc(N(C)C)cc1 ZINC000840895640 618964840 /nfs/dbraw/zinc/96/48/40/618964840.db2.gz POXUBUVQEUSJKX-LESCRADOSA-N 1 0 290.451 3.344 20 10 CGCDRO C[N@H+](Cc1cccc(F)c1)Cc1cc(F)ccc1O ZINC000179882882 619010703 /nfs/dbraw/zinc/01/07/03/619010703.db2.gz GFUMLFAIVCYRFU-UHFFFAOYSA-N 1 0 263.287 3.302 20 10 CGCDRO Cc1cccc(C[N@@H+](C)Cc2cccc(N(C)C)c2)c1O ZINC000180639275 619017985 /nfs/dbraw/zinc/01/79/85/619017985.db2.gz CVBWUNHXMFKFEK-UHFFFAOYSA-N 1 0 284.403 3.399 20 10 CGCDRO CCN1CCCC[C@@H]1C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000185418242 619061161 /nfs/dbraw/zinc/06/11/61/619061161.db2.gz RSCGODSYUOKLEJ-GXTWGEPZSA-N 1 0 280.387 3.056 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)c1cc(Cl)ccc1O ZINC000775494098 619074808 /nfs/dbraw/zinc/07/48/08/619074808.db2.gz YCDKTSPKUKTTKW-MWLCHTKSSA-N 1 0 297.704 3.010 20 10 CGCDRO CC[C@H](C)[C@](C)(O)C[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000776174364 619115047 /nfs/dbraw/zinc/11/50/47/619115047.db2.gz MWLHBYQDDVVSSQ-XHDPSFHLSA-N 1 0 285.815 3.241 20 10 CGCDRO Cc1noc(C)c1[C@H](C)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000313123644 619163713 /nfs/dbraw/zinc/16/37/13/619163713.db2.gz CPPNQCSHIFWHHF-TVQRCGJNSA-N 1 0 272.348 3.335 20 10 CGCDRO C[C@H]1SCC[N@H+](Cc2ccc(N(C)C)cc2)[C@@H]1C ZINC000093499402 619201092 /nfs/dbraw/zinc/20/10/92/619201092.db2.gz UQOFWMXBGVGONE-CHWSQXEVSA-N 1 0 264.438 3.078 20 10 CGCDRO CC(C)[N@H+](Cc1ccc(N2CCOCC2)cc1)C1CCC1 ZINC000093608320 619205496 /nfs/dbraw/zinc/20/54/96/619205496.db2.gz ILOCXQFNOBLOFM-UHFFFAOYSA-N 1 0 288.435 3.286 20 10 CGCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@H](C)[C@@H]2C)c1O ZINC000248882389 619216717 /nfs/dbraw/zinc/21/67/17/619216717.db2.gz PCBPNONWJAXJQQ-UWVGGRQHSA-N 1 0 269.772 3.285 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@](C)(OC)C2CC2)cc1 ZINC000314390173 619226357 /nfs/dbraw/zinc/22/63/57/619226357.db2.gz SRZLRMCXNHVLBJ-GOSISDBHSA-N 1 0 290.451 3.438 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCNc1ccccc1 ZINC000840935495 619227165 /nfs/dbraw/zinc/22/71/65/619227165.db2.gz RFDNKVNWJCKIEL-UHFFFAOYSA-N 1 0 283.419 3.263 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H]1CCCCS1 ZINC000840937168 619227501 /nfs/dbraw/zinc/22/75/01/619227501.db2.gz PGJUPEICRCKBDB-MRXNPFEDSA-N 1 0 278.465 3.436 20 10 CGCDRO CCCN(Cc1cc(OC)cc(C)n1)c1ccc(C[NH3+])cc1 ZINC000317094110 619243117 /nfs/dbraw/zinc/24/31/17/619243117.db2.gz PQFJJFIAUQNHPJ-UHFFFAOYSA-N 1 0 299.418 3.274 20 10 CGCDRO CC[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1cccc(Cl)c1[O-] ZINC000925804070 619255749 /nfs/dbraw/zinc/25/57/49/619255749.db2.gz YYIYQCDIVQSZQK-LALPHHSUSA-N 1 0 296.842 3.332 20 10 CGCDRO COC[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2C)CC1 ZINC000840953689 619257179 /nfs/dbraw/zinc/25/71/79/619257179.db2.gz WCONZXYGGXQTQS-MRXNPFEDSA-N 1 0 290.451 3.310 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+]C[C@@H]2C[C@@H](C)O[C@@H]2C)c1O ZINC000840964735 619284582 /nfs/dbraw/zinc/28/45/82/619284582.db2.gz VUYCFZBPWLRVOS-UTUOFQBUSA-N 1 0 283.799 3.257 20 10 CGCDRO Oc1ccccc1C[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000238102196 619310424 /nfs/dbraw/zinc/31/04/24/619310424.db2.gz PISBZAVOSYRQMJ-JKSUJKDBSA-N 1 0 253.345 3.286 20 10 CGCDRO COc1ccc(C[N@@H+]2CC3(CCC3)C[C@@H]2C)c(O)c1OC ZINC000894039176 619355868 /nfs/dbraw/zinc/35/58/68/619355868.db2.gz RDVBBWBLFNJTTE-LBPRGKRZSA-N 1 0 291.391 3.174 20 10 CGCDRO COc1ccc(C[NH2+]Cc2cc(C)cnc2Cl)c(O)c1 ZINC000894185274 619408737 /nfs/dbraw/zinc/40/87/37/619408737.db2.gz LTOJEAHLGIDGCI-UHFFFAOYSA-N 1 0 292.766 3.047 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C2CC3(C2)CO[C@H](C)C3)c1 ZINC000894503186 619556467 /nfs/dbraw/zinc/55/64/67/619556467.db2.gz YROHQEOLKIPFQO-ZHEUNLNZSA-N 1 0 291.391 3.009 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](C)CC(C)(C)C)c(O)c1OC ZINC000894807705 619640479 /nfs/dbraw/zinc/64/04/79/619640479.db2.gz WAMZEYSLUZFPAG-NSHDSACASA-N 1 0 281.396 3.324 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@H]2C[C@H](OC(C)(C)C)C2)c1O ZINC000895188466 619773878 /nfs/dbraw/zinc/77/38/78/619773878.db2.gz MKAIEJPEZXYUKP-HDJSIYSDSA-N 1 0 293.407 3.145 20 10 CGCDRO CC[C@H](CCO)[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000185527250 625370612 /nfs/dbraw/zinc/37/06/12/625370612.db2.gz GPMGDOPKLONGOJ-IUODEOHRSA-N 1 0 277.408 3.083 20 10 CGCDRO COc1cc(C)cc(C[NH2+]CCC2(CSC)CC2)c1O ZINC000895247678 619790890 /nfs/dbraw/zinc/79/08/90/619790890.db2.gz GWWZDWHRGUIYIB-UHFFFAOYSA-N 1 0 295.448 3.332 20 10 CGCDRO CN(C)c1ccc(C[NH+]2CCC(OC3CCC3)CC2)cc1 ZINC000841888319 619815269 /nfs/dbraw/zinc/81/52/69/619815269.db2.gz HTKXDSAGWYNXHD-UHFFFAOYSA-N 1 0 288.435 3.286 20 10 CGCDRO Cc1cccc(O)c1C[NH+]1CCC2(CCCCO2)CC1 ZINC000895654634 619864541 /nfs/dbraw/zinc/86/45/41/619864541.db2.gz WIHJEQINNUSHMP-UHFFFAOYSA-N 1 0 275.392 3.236 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]C(C)(C)[C@@H](O)c2ccccc2)c1 ZINC000895657795 619865091 /nfs/dbraw/zinc/86/50/91/619865091.db2.gz DGPVKEVRYKMMNR-KRWDZBQOSA-N 1 0 285.387 3.302 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CC2(C3(O)CCC3)CCC2)cc1C ZINC000895870279 619898740 /nfs/dbraw/zinc/89/87/40/619898740.db2.gz NTRBKANPLNNILO-UHFFFAOYSA-N 1 0 289.419 3.184 20 10 CGCDRO CO[C@@H]1CC[C@H](C)[N@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000895926457 619908980 /nfs/dbraw/zinc/90/89/80/619908980.db2.gz FSEJDYQEIXGWCG-DZGCQCFKSA-N 1 0 263.381 3.008 20 10 CGCDRO CCc1cccc(C[NH2+]Cc2ccc3c(c2)ncn3C)c1O ZINC000896298049 619988344 /nfs/dbraw/zinc/98/83/44/619988344.db2.gz YGPFKPVFQRCMDX-UHFFFAOYSA-N 1 0 295.386 3.131 20 10 CGCDRO CCc1cccc(C[NH+]2CCC(c3ccn(C)n3)CC2)c1O ZINC000896495888 620017176 /nfs/dbraw/zinc/01/71/76/620017176.db2.gz VGKFJSGWOVGDLS-UHFFFAOYSA-N 1 0 299.418 3.068 20 10 CGCDRO CO[C@]1(C)C[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)C1(C)C ZINC000237269328 620058153 /nfs/dbraw/zinc/05/81/53/620058153.db2.gz XJWGADPCKQUWBL-NVXWUHKLSA-N 1 0 276.424 3.046 20 10 CGCDRO CCOc1cccc(C[NH+]2CCC(CSC)CC2)c1O ZINC000896936969 620107658 /nfs/dbraw/zinc/10/76/58/620107658.db2.gz HOMHTENYEPHEPE-UHFFFAOYSA-N 1 0 295.448 3.366 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H]2CCCc3cccnc32)c(O)c1 ZINC000897070721 620134953 /nfs/dbraw/zinc/13/49/53/620134953.db2.gz MQWUGYFVUGBQGP-OAHLLOKOSA-N 1 0 268.360 3.263 20 10 CGCDRO CCc1cccc(C[NH2+][C@H](C2CC2)[C@H]2CCCOC2)c1O ZINC000897081349 620135191 /nfs/dbraw/zinc/13/51/91/620135191.db2.gz NSQKFMQTGKCTNC-DLBZAZTESA-N 1 0 289.419 3.249 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCC2(C)C)c1O ZINC000310682551 620197381 /nfs/dbraw/zinc/19/73/81/620197381.db2.gz LJPDWEMWEAIOIV-GFCCVEGCSA-N 1 0 269.772 3.332 20 10 CGCDRO CC[C@H]([NH2+]C[C@H]1CC[N@H+](CC)C1)c1ccc(N(C)C)cc1 ZINC000163264783 620210450 /nfs/dbraw/zinc/21/04/50/620210450.db2.gz CBBSQMSMCWQQHP-QAPCUYQASA-N 1 0 289.467 3.135 20 10 CGCDRO COc1cccc(O)c1C[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000800275584 620348340 /nfs/dbraw/zinc/34/83/40/620348340.db2.gz AYNIZYIKDGWORX-NSHDSACASA-N 1 0 285.334 3.316 20 10 CGCDRO Cc1ccc(C[NH2+][C@H]2CCOC23CCCCC3)c(O)c1 ZINC000897728041 620421664 /nfs/dbraw/zinc/42/16/64/620421664.db2.gz XXMGYPLBXZQWOB-INIZCTEOSA-N 1 0 275.392 3.282 20 10 CGCDRO CCCOc1ccc(C[NH2+]C2CC(CCO)C2)cc1C ZINC000898016157 620466904 /nfs/dbraw/zinc/46/69/04/620466904.db2.gz YQMYNGOFVQHSAB-UHFFFAOYSA-N 1 0 277.408 3.034 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(CCO)cc1)c1ccccc1O ZINC000898169612 620485087 /nfs/dbraw/zinc/48/50/87/620485087.db2.gz IOSZPCAVTOYVHG-KRWDZBQOSA-N 1 0 285.387 3.168 20 10 CGCDRO CCC[C@@H](O)CC[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000927016059 620561580 /nfs/dbraw/zinc/56/15/80/620561580.db2.gz HNSPRHRJSMWCPV-CMPLNLGQSA-N 1 0 271.788 3.247 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2Cc3ccccc3[C@H]2N)c(O)c1C ZINC000902437046 621319193 /nfs/dbraw/zinc/31/91/93/621319193.db2.gz GYZWEZAUHQIURC-MORSLUCNSA-N 1 0 296.414 3.284 20 10 CGCDRO C[C@@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccc(N2CCCCC2)cc1 ZINC000902467239 621339281 /nfs/dbraw/zinc/33/92/81/621339281.db2.gz NZHITHPHZUYESX-IWKCEXAMSA-N 1 0 299.462 3.220 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CC2(C3(O)CCC3)CC2)c(O)c1 ZINC000903257541 621644852 /nfs/dbraw/zinc/64/48/52/621644852.db2.gz HBZOBEVTFKJISE-CYBMUJFWSA-N 1 0 275.392 3.046 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]CC2(C3(O)CCC3)CC2)c(O)c1 ZINC000903258034 621645254 /nfs/dbraw/zinc/64/52/54/621645254.db2.gz OLACJGVMTJOHQT-AWEZNQCLSA-N 1 0 289.419 3.355 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+][C@H]1CCOC13CCCCC3)CC2 ZINC000903269319 621655710 /nfs/dbraw/zinc/65/57/10/621655710.db2.gz VQCIBABDEQBYDD-ZBFHGGJFSA-N 1 0 287.403 3.461 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1CCN1C)c1ccc(N2CCCCC2)cc1 ZINC000903322534 621676434 /nfs/dbraw/zinc/67/64/34/621676434.db2.gz ITWVTBYULGIJLH-MAUKXSAKSA-N 1 0 287.451 3.032 20 10 CGCDRO C[C@H]([NH2+]CC[C@@H](O)C1CC1)c1ccc2ccccc2c1O ZINC000903407086 621731247 /nfs/dbraw/zinc/73/12/47/621731247.db2.gz MMDVJTVAYHMXMD-YVEFUNNKSA-N 1 0 285.387 3.357 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]CCc1ccc(F)cc1 ZINC000083458573 625522754 /nfs/dbraw/zinc/52/27/54/625522754.db2.gz BSYXYAVUKIFJKM-UHFFFAOYSA-N 1 0 263.287 3.003 20 10 CGCDRO CC(C)O[C@H]1C[C@@H]([NH2+][C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000840764717 625561339 /nfs/dbraw/zinc/56/13/39/625561339.db2.gz RLPTYEUMKAGIBZ-UNEWFSDZSA-N 1 0 276.424 3.359 20 10 CGCDRO COc1cc(C)ccc1C[NH2+]Cc1cccc(OC)c1O ZINC000151014666 622720334 /nfs/dbraw/zinc/72/03/34/622720334.db2.gz MACYQXGMVDSEDR-UHFFFAOYSA-N 1 0 287.359 3.008 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@H+](C)C[C@H]2CCCCO2)c1 ZINC000164198121 622820943 /nfs/dbraw/zinc/82/09/43/622820943.db2.gz RXCKBGCTSDSDCE-OAHLLOKOSA-N 1 0 263.381 3.010 20 10 CGCDRO COc1cc(C)cc(C[NH+]2C[C@@H](C)S[C@H](C)C2)c1O ZINC000164416080 622834706 /nfs/dbraw/zinc/83/47/06/622834706.db2.gz YRQKAXMUMACRCN-VXGBXAGGSA-N 1 0 281.421 3.035 20 10 CGCDRO Cc1cscc1C[NH2+]Cc1cc(F)ccc1O ZINC000226403500 622967775 /nfs/dbraw/zinc/96/77/75/622967775.db2.gz PUSCISVGXGBBEH-UHFFFAOYSA-N 1 0 251.326 3.191 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(CO)cc1)c1ccccc1O ZINC000226560538 622981793 /nfs/dbraw/zinc/98/17/93/622981793.db2.gz VTCVRXHDXQLIAS-INIZCTEOSA-N 1 0 271.360 3.125 20 10 CGCDRO CCSCC[C@@H](C)[NH2+]Cc1cc(F)ccc1O ZINC000226611880 622986324 /nfs/dbraw/zinc/98/63/24/622986324.db2.gz ZDIVUZGTNDWSOV-SNVBAGLBSA-N 1 0 257.374 3.153 20 10 CGCDRO Cc1cc(F)ccc1CC[NH2+]Cc1cc(F)ccc1O ZINC000226616681 622986411 /nfs/dbraw/zinc/98/64/11/622986411.db2.gz ZKZUQLMUGOIFNA-UHFFFAOYSA-N 1 0 277.314 3.311 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@](C)(O)C(C)C)cc1 ZINC000171842954 623193697 /nfs/dbraw/zinc/19/36/97/623193697.db2.gz OZJLQMGSKJSUQU-KRWDZBQOSA-N 1 0 278.440 3.029 20 10 CGCDRO C[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000230407465 623238066 /nfs/dbraw/zinc/23/80/66/623238066.db2.gz GIIRGHPDUJRHIW-NVXWUHKLSA-N 1 0 288.435 3.049 20 10 CGCDRO CCOc1cccc(C[NH2+]C[C@H]2CCC[C@H]2C)c1O ZINC000230665829 623258272 /nfs/dbraw/zinc/25/82/72/623258272.db2.gz IKIIQDCQUJYNAY-CHWSQXEVSA-N 1 0 263.381 3.317 20 10 CGCDRO Cc1nc(CC[NH2+][C@@H](C)c2cc(F)ccc2O)cs1 ZINC000230658503 623260757 /nfs/dbraw/zinc/26/07/57/623260757.db2.gz ZULLQURDIFFHJR-VIFPVBQESA-N 1 0 280.368 3.190 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1Cc2ccccc2O1)c1ccc(F)cc1[O-] ZINC000062747805 623266994 /nfs/dbraw/zinc/26/69/94/623266994.db2.gz JLIURNRAMAPIRF-SMDDNHRTSA-N 1 0 287.334 3.186 20 10 CGCDRO c1cc(C[NH2+]Cc2ccc3c(c2)CCCO3)cs1 ZINC000921535215 625652454 /nfs/dbraw/zinc/65/24/54/625652454.db2.gz ZVSUOLNBHCFTPH-UHFFFAOYSA-N 1 0 259.374 3.363 20 10 CGCDRO COc1cccc(C[NH2+]Cc2ccsc2Cl)c1O ZINC000312768926 623606010 /nfs/dbraw/zinc/60/60/10/623606010.db2.gz VUCPUOPOQTYHRC-UHFFFAOYSA-N 1 0 283.780 3.406 20 10 CGCDRO COC[C@@H]([NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)C1CC1 ZINC000186153919 625679467 /nfs/dbraw/zinc/67/94/67/625679467.db2.gz TVWMHUBDDRHWMA-YVEFUNNKSA-N 1 0 289.419 3.347 20 10 CGCDRO CCCC[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000916835405 624216571 /nfs/dbraw/zinc/21/65/71/624216571.db2.gz AXINDTJGFZOIKV-UHFFFAOYSA-N 1 0 264.438 3.130 20 10 CGCDRO CCC(CC)[N@H+](CCOC)Cc1cccc(C)c1O ZINC000124544296 634388426 /nfs/dbraw/zinc/38/84/26/634388426.db2.gz QLTSNAZJHCSLHQ-UHFFFAOYSA-N 1 0 265.397 3.338 20 10 CGCDRO CC[N@H+](CCc1ccccc1)Cc1cc(OC)ccc1O ZINC000179690203 624678343 /nfs/dbraw/zinc/67/83/43/624678343.db2.gz UQOCLKFFGPPIPY-UHFFFAOYSA-N 1 0 285.387 3.465 20 10 CGCDRO C[N@H+](CCOc1ccccc1F)Cc1cc(F)ccc1O ZINC000179891566 624693456 /nfs/dbraw/zinc/69/34/56/624693456.db2.gz HQUKMCMWYWMSSI-UHFFFAOYSA-N 1 0 293.313 3.181 20 10 CGCDRO Cc1nn(C)c(C)c1CCC[NH2+][C@@H](C)c1ccccc1O ZINC000183644737 625100439 /nfs/dbraw/zinc/10/04/39/625100439.db2.gz GOIHKXQRXRIPSH-LBPRGKRZSA-N 1 0 287.407 3.026 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)[C@H]1CCCO1 ZINC000186183305 625735944 /nfs/dbraw/zinc/73/59/44/625735944.db2.gz XINGYLNQCASROP-VZJVUDMVSA-N 1 0 267.344 3.140 20 10 CGCDRO Cc1noc(C)c1[C@@H](C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921741454 625859509 /nfs/dbraw/zinc/85/95/09/625859509.db2.gz HWRAMAFZFJCGST-LLVKDONJSA-N 1 0 286.375 3.467 20 10 CGCDRO CC(C)(C[NH2+]Cc1ccc2c(c1)CCCO2)c1cccnc1 ZINC000922188189 625981849 /nfs/dbraw/zinc/98/18/49/625981849.db2.gz RCNKAIYGDLSYOM-UHFFFAOYSA-N 1 0 296.414 3.474 20 10 CGCDRO C[C@H](CC[NH2+][C@@H](C)c1ccc(F)cc1[O-])[NH+]1CCCCC1 ZINC000186545651 626017304 /nfs/dbraw/zinc/01/73/04/626017304.db2.gz OPWTWRZCLPYGJE-KGLIPLIRSA-N 1 0 294.414 3.446 20 10 CGCDRO C[C@]1([NH2+]Cc2ccc3c(c2)CCO3)CCOc2ccccc21 ZINC000923024868 626121152 /nfs/dbraw/zinc/12/11/52/626121152.db2.gz IPUALDAYWQCZLB-IBGZPJMESA-N 1 0 295.382 3.409 20 10 CGCDRO CCCN(CCC)c1ccc(C[NH+]2CC(C)(CO)C2)cc1 ZINC000839145666 626317122 /nfs/dbraw/zinc/31/71/22/626317122.db2.gz PCTQOLRZCNHMGW-UHFFFAOYSA-N 1 0 290.451 3.127 20 10 CGCDRO Oc1c(C[NH+]2CC3(C2)CCOCC3)ccc2ccccc21 ZINC000839141748 626322812 /nfs/dbraw/zinc/32/28/12/626322812.db2.gz YLOHCOALZAZHQZ-UHFFFAOYSA-N 1 0 283.371 3.158 20 10 CGCDRO COCC[C@H](Cc1ccco1)[NH2+][C@H](C)c1ccccc1O ZINC000753741316 626464216 /nfs/dbraw/zinc/46/42/16/626464216.db2.gz JWOKSVBLUSPLSQ-ZIAGYGMSSA-N 1 0 289.375 3.284 20 10 CGCDRO C[C@H]1C[C@@H]1C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000754102005 626475555 /nfs/dbraw/zinc/47/55/55/626475555.db2.gz OOTZUPGFGDNOTK-DZGCQCFKSA-N 1 0 258.409 3.373 20 10 CGCDRO C[C@H]1CSCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000754155925 626561316 /nfs/dbraw/zinc/56/13/16/626561316.db2.gz LTYAZZDEXXOUTK-SNVBAGLBSA-N 1 0 271.813 3.231 20 10 CGCDRO CCN1CCC[C@H]1C[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000756357224 626695770 /nfs/dbraw/zinc/69/57/70/626695770.db2.gz LTWRBZIHJGDNQZ-CABCVRRESA-N 1 0 276.424 3.144 20 10 CGCDRO COc1ccc(C[NH2+][C@H](C)c2ccc(C)c(C)c2O)cn1 ZINC000756380368 626698914 /nfs/dbraw/zinc/69/89/14/626698914.db2.gz HWELANIAWHVADX-CYBMUJFWSA-N 1 0 286.375 3.263 20 10 CGCDRO CCCCOCC[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000756504694 626710655 /nfs/dbraw/zinc/71/06/55/626710655.db2.gz QASXCZAVQQDKOB-CQSZACIVSA-N 1 0 265.397 3.476 20 10 CGCDRO COCC[C@H](C)[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756525563 626711934 /nfs/dbraw/zinc/71/19/34/626711934.db2.gz IJOLYJWDFSVXJD-JFGNBEQYSA-N 1 0 267.344 3.094 20 10 CGCDRO COCC[C@H](C)[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756525565 626712104 /nfs/dbraw/zinc/71/21/04/626712104.db2.gz IJOLYJWDFSVXJD-SCVCMEIPSA-N 1 0 267.344 3.094 20 10 CGCDRO CCN(CC)C[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000756535566 626713148 /nfs/dbraw/zinc/71/31/48/626713148.db2.gz RDXPSXATRODKBW-HIFRSBDPSA-N 1 0 278.440 3.390 20 10 CGCDRO C[C@H]([NH2+]C[C@@](C)(O)C1CC1)c1cc2c(cc1O)CCCC2 ZINC000756569553 626716282 /nfs/dbraw/zinc/71/62/82/626716282.db2.gz QSPMIHWZZUVBGC-KPZWWZAWSA-N 1 0 289.419 3.083 20 10 CGCDRO CCCCN(C)CC[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756573450 626716816 /nfs/dbraw/zinc/71/68/16/626716816.db2.gz BBTVWRLQXSZUHF-OCCSQVGLSA-N 1 0 294.414 3.401 20 10 CGCDRO CC[C@H]1CCCCN1CC[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000756577710 626717458 /nfs/dbraw/zinc/71/74/58/626717458.db2.gz ZSJWNEQWDVKWAA-ZFWWWQNUSA-N 1 0 294.414 3.446 20 10 CGCDRO CCCCN(C)CC[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000756578035 626717522 /nfs/dbraw/zinc/71/75/22/626717522.db2.gz VOSVHJYCBMQGTI-HNNXBMFYSA-N 1 0 278.440 3.392 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@](C)(O)C(C)C)c(O)c1C ZINC000756578596 626717535 /nfs/dbraw/zinc/71/75/35/626717535.db2.gz XBRDNFXNZVQYDP-BBRMVZONSA-N 1 0 265.397 3.067 20 10 CGCDRO CCc1cc(C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)on1 ZINC000756604032 626719984 /nfs/dbraw/zinc/71/99/84/626719984.db2.gz CPUFTIAWMSXJMU-NOZJJQNGSA-N 1 0 290.338 3.420 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[C@@H](O)C2)c2c1c(F)ccc2O ZINC000756611573 626720466 /nfs/dbraw/zinc/72/04/66/626720466.db2.gz WNJLWYACMTZJIE-CZXHOFHRSA-N 1 0 293.382 3.220 20 10 CGCDRO CC[C@H](C[C@@H](C)CO)[NH2+][C@H](C)c1ccc(C)cc1O ZINC000756624288 626721110 /nfs/dbraw/zinc/72/11/10/626721110.db2.gz DYGKPMYINIAGDZ-MGPQQGTHSA-N 1 0 265.397 3.148 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CC2(CCO)CCCC2)c1 ZINC000756623630 626721366 /nfs/dbraw/zinc/72/13/66/626721366.db2.gz BXCVHVPGWRICBH-AWEZNQCLSA-N 1 0 277.408 3.294 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)Cc2ccoc2)c1 ZINC000756641373 626723281 /nfs/dbraw/zinc/72/32/81/626723281.db2.gz VJLGEIXUJIENMW-NEPJUHHUSA-N 1 0 275.348 3.276 20 10 CGCDRO C[C@H]1C[C@H]([NH2+]Cc2ccn(C)c2)c2c1c(F)ccc2O ZINC000756638935 626723481 /nfs/dbraw/zinc/72/34/81/626723481.db2.gz XHFYNUDFCUNZEJ-GWCFXTLKSA-N 1 0 274.339 3.208 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)Cc2ccoc2)c1 ZINC000756641375 626723513 /nfs/dbraw/zinc/72/35/13/626723513.db2.gz VJLGEIXUJIENMW-NWDGAFQWSA-N 1 0 275.348 3.276 20 10 CGCDRO C[C@H]([NH2+]CCC(=O)NC(C)(C)C)c1cc(Cl)ccc1O ZINC000756682498 626726658 /nfs/dbraw/zinc/72/66/58/626726658.db2.gz HHKCBTMFZKLXMN-JTQLQIEISA-N 1 0 298.814 3.001 20 10 CGCDRO CC[C@@H](O)CCC[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000756731471 626728164 /nfs/dbraw/zinc/72/81/64/626728164.db2.gz BLOGJMMFXHCMQU-UONOGXRCSA-N 1 0 265.397 3.211 20 10 CGCDRO Cc1ccsc1[C@H](CO)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000756735580 626728509 /nfs/dbraw/zinc/72/85/09/626728509.db2.gz FRVUCLQDODGFHR-GWCFXTLKSA-N 1 0 295.379 3.285 20 10 CGCDRO CO[C@@H]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000756785573 626732030 /nfs/dbraw/zinc/73/20/30/626732030.db2.gz GGSBROXRCKINHC-IIAWOOMASA-N 1 0 277.408 3.475 20 10 CGCDRO CO[C@@H]1CCC[C@H]1C[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000756788462 626732640 /nfs/dbraw/zinc/73/26/40/626732640.db2.gz VDBIIBHHNSUAOB-HEHGZKQESA-N 1 0 263.381 3.166 20 10 CGCDRO C[C@H]1C[C@H]([NH2+]CCOC2CCC2)c2c1c(F)ccc2O ZINC000756837081 626735961 /nfs/dbraw/zinc/73/59/61/626735961.db2.gz FPLQRUAKZXYVOR-GWCFXTLKSA-N 1 0 279.355 3.238 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCCOC2)c(O)c1C ZINC000757636891 626795740 /nfs/dbraw/zinc/79/57/40/626795740.db2.gz KGLNSUCJEQIMOA-KKUMJFAQSA-N 1 0 277.408 3.475 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CC[C@@H]2CCOC2)c(O)c1C ZINC000757659400 626798187 /nfs/dbraw/zinc/79/81/87/626798187.db2.gz ZJZJFJOFUQIPQF-UONOGXRCSA-N 1 0 263.381 3.086 20 10 CGCDRO COC1CCC(CC[NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000757985715 626819694 /nfs/dbraw/zinc/81/96/94/626819694.db2.gz PFPXCICIAFEJPN-UHFFFAOYSA-N 1 0 289.419 3.306 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H](c2cccnc2)C2CC2)c1 ZINC000758630025 626851970 /nfs/dbraw/zinc/85/19/70/626851970.db2.gz DICCMTCJSKFMSX-KRWDZBQOSA-N 1 0 268.360 3.337 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)CCSC)cc1 ZINC000759643269 626910993 /nfs/dbraw/zinc/91/09/93/626910993.db2.gz LWVUMWNDLMLBNG-UHFFFAOYSA-N 1 0 266.454 3.328 20 10 CGCDRO CCSCC[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000761522998 627047992 /nfs/dbraw/zinc/04/79/92/627047992.db2.gz OTUCNUSNQPSWPK-UHFFFAOYSA-N 1 0 294.464 3.007 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CC2(CC)COC2)cc1F ZINC000761968929 627075942 /nfs/dbraw/zinc/07/59/42/627075942.db2.gz DQGLUNGZUKONLS-UHFFFAOYSA-N 1 0 294.414 3.188 20 10 CGCDRO C[C@H]([NH2+]CCC1CC(O)C1)c1ccc2ccccc2c1O ZINC000762652173 627119187 /nfs/dbraw/zinc/11/91/87/627119187.db2.gz WIMWEZJJDXQSCC-OPFPJEHXSA-N 1 0 285.387 3.357 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)[C@H](C)OC)cc1 ZINC000765106751 627240665 /nfs/dbraw/zinc/24/06/65/627240665.db2.gz RCLQOZBXAFESPL-KGLIPLIRSA-N 1 0 264.413 3.046 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H](O)CC(C)C)cc1 ZINC000765474581 627252190 /nfs/dbraw/zinc/25/21/90/627252190.db2.gz PLKLMBOKQQKHLJ-PBHICJAKSA-N 1 0 278.440 3.200 20 10 CGCDRO CC(C)O[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C1(C)C ZINC000765815591 627273719 /nfs/dbraw/zinc/27/37/19/627273719.db2.gz WINZAQQQRLGCSS-IRXDYDNUSA-N 1 0 289.419 3.303 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@]2(C)CCOC2)cc1 ZINC000765957134 627281169 /nfs/dbraw/zinc/28/11/69/627281169.db2.gz KBZAPPPJPJNTKK-PBHICJAKSA-N 1 0 276.424 3.220 20 10 CGCDRO CCc1cc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)on1 ZINC000766135620 627297968 /nfs/dbraw/zinc/29/79/68/627297968.db2.gz MJSMYZKXFJONFO-LBPRGKRZSA-N 1 0 273.380 3.154 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](C)CC(F)(F)F)c1 ZINC000766477405 627335150 /nfs/dbraw/zinc/33/51/50/627335150.db2.gz CGZOGBWFRGAKQV-VIFPVBQESA-N 1 0 277.286 3.221 20 10 CGCDRO COc1ccccc1C[N@H+](C)Cc1c(O)cccc1OC ZINC000768162723 627465221 /nfs/dbraw/zinc/46/52/21/627465221.db2.gz GQYOKEYRCDZODG-UHFFFAOYSA-N 1 0 287.359 3.041 20 10 CGCDRO COc1cc(C[N@@H+]2CCC[C@H]2C(C)C)c(O)cc1C ZINC000768442700 627480832 /nfs/dbraw/zinc/48/08/32/627480832.db2.gz MZOOLVJXXSAGLT-AWEZNQCLSA-N 1 0 263.381 3.330 20 10 CGCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@H]1CCCOC1 ZINC000768535100 627485320 /nfs/dbraw/zinc/48/53/20/627485320.db2.gz NVWPKEROEQFLSI-QGZVFWFLSA-N 1 0 290.451 3.390 20 10 CGCDRO C[C@@H]([N@H+](C)Cc1ccc(N2CCOCC2)cc1)C(C)(C)C ZINC000768545177 627486317 /nfs/dbraw/zinc/48/63/17/627486317.db2.gz VBKMYUMCGTVWJX-OAHLLOKOSA-N 1 0 290.451 3.390 20 10 CGCDRO CC[C@H]1CCC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000769010904 627516592 /nfs/dbraw/zinc/51/65/92/627516592.db2.gz XEQCLXXOFKZVMG-ZDUSSCGKSA-N 1 0 250.361 3.266 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+](C)C2Cc3ccccc3C2)c1 ZINC000769035965 627519583 /nfs/dbraw/zinc/51/95/83/627519583.db2.gz ZVLXXKQYMPPRQD-UHFFFAOYSA-N 1 0 267.372 3.300 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCO[C@@H](C)[C@H]2C)cc1 ZINC000769421591 627550878 /nfs/dbraw/zinc/55/08/78/627550878.db2.gz AXXHNBGPTIACPV-CABCVRRESA-N 1 0 276.424 3.142 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CC(C)(C)OCC2(C)C)c(O)c1 ZINC000769445385 627552648 /nfs/dbraw/zinc/55/26/48/627552648.db2.gz HFQPXQQUHQFOFV-UHFFFAOYSA-N 1 0 293.407 3.180 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](C)C2)c(O)c1 ZINC000769451577 627554202 /nfs/dbraw/zinc/55/42/02/627554202.db2.gz NFEFUAPHRYPKCV-STQMWFEESA-N 1 0 263.381 3.269 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]Cc2ccc3c(c2)COC3)c1 ZINC000769928978 627590597 /nfs/dbraw/zinc/59/05/97/627590597.db2.gz SYOKHPMNKJTUPQ-UHFFFAOYSA-N 1 0 299.370 3.111 20 10 CGCDRO CC(C)OC1CC([NH2+][C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000769996158 627596397 /nfs/dbraw/zinc/59/63/97/627596397.db2.gz RLPTYEUMKAGIBZ-BZOOQXSSSA-N 1 0 276.424 3.359 20 10 CGCDRO CCc1ncc(C[N@H+](C)Cc2ccc(N(C)C)cc2)s1 ZINC000771934865 627746437 /nfs/dbraw/zinc/74/64/37/627746437.db2.gz DLMWADORPSERTJ-UHFFFAOYSA-N 1 0 289.448 3.404 20 10 CGCDRO COc1ccc(N2CCC([NH2+]C[C@H]3CC3(C)C)CC2)cc1 ZINC000772978103 627836859 /nfs/dbraw/zinc/83/68/59/627836859.db2.gz QTONBSAJVSHBCY-CQSZACIVSA-N 1 0 288.435 3.300 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CC2(CCO)CCC2)cc1 ZINC000773072369 627850950 /nfs/dbraw/zinc/85/09/50/627850950.db2.gz XFYKWKVHPGZNCU-HNNXBMFYSA-N 1 0 290.451 3.346 20 10 CGCDRO C[C@@H]([NH2+]Cc1cccc(F)n1)c1ccc(N(C)C)cc1 ZINC000773087428 627853690 /nfs/dbraw/zinc/85/36/90/627853690.db2.gz LTWHKFUDSIEFIH-GFCCVEGCSA-N 1 0 273.355 3.138 20 10 CGCDRO CCN(C)c1ccc(C[N@H+](CC)C[C@@H]2CCOC2)cc1 ZINC000773731904 627908730 /nfs/dbraw/zinc/90/87/30/627908730.db2.gz XGELHSDHYHKRIJ-INIZCTEOSA-N 1 0 276.424 3.001 20 10 CGCDRO CCN(C)c1ccc(C[NH+]2CCC(n3cccn3)CC2)cc1 ZINC000773754461 627911409 /nfs/dbraw/zinc/91/14/09/627911409.db2.gz FTATWIYCTSWRKF-UHFFFAOYSA-N 1 0 298.434 3.176 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(N(C)CC)cc1)[C@@H]1CCCO1 ZINC000773838240 627919266 /nfs/dbraw/zinc/91/92/66/627919266.db2.gz LPBOBEUBGOMQJO-IRXDYDNUSA-N 1 0 276.424 3.190 20 10 CGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@@H](COC)CC(C)C ZINC000775141010 628067332 /nfs/dbraw/zinc/06/73/32/628067332.db2.gz SWLPAAPFCRNYNG-QGZVFWFLSA-N 1 0 278.440 3.423 20 10 CGCDRO CCC[C@@]1(C(=O)OCC)CCC[N@@H+]1Cc1ccccc1O ZINC000775186011 628071088 /nfs/dbraw/zinc/07/10/88/628071088.db2.gz ZBYXNZWCZAPBNI-KRWDZBQOSA-N 1 0 291.391 3.090 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000775365763 628086320 /nfs/dbraw/zinc/08/63/20/628086320.db2.gz WXHASYAFLBAYIW-AWEZNQCLSA-N 1 0 299.418 3.397 20 10 CGCDRO CC[C@@H]([NH2+]CCCn1ccnc1)c1cc(Cl)ccc1O ZINC000775483189 628098975 /nfs/dbraw/zinc/09/89/75/628098975.db2.gz ORKSYGPWXXOCEH-CQSZACIVSA-N 1 0 293.798 3.373 20 10 CGCDRO CC[C@H]([NH2+]Cc1c(C)nn(CC)c1C)c1ccccc1O ZINC000775499754 628101340 /nfs/dbraw/zinc/10/13/40/628101340.db2.gz VIBZSXZOCUDTLD-INIZCTEOSA-N 1 0 287.407 3.466 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCC[C@H]2OC)cc1F ZINC000776174045 628175821 /nfs/dbraw/zinc/17/58/21/628175821.db2.gz ZJDOEVJSFDDIRN-NVXWUHKLSA-N 1 0 294.414 3.329 20 10 CGCDRO COc1cc(O)c(C[NH2+][C@H](C)C2CCCCC2)cc1OC ZINC000776213058 628180741 /nfs/dbraw/zinc/18/07/41/628180741.db2.gz PJQSTWLKSVVZCP-GFCCVEGCSA-N 1 0 293.407 3.468 20 10 CGCDRO CC(C)[C@H]1C[N@H+](Cc2cc3c(cc2O)CCCC3)CCO1 ZINC000777968329 628316483 /nfs/dbraw/zinc/31/64/83/628316483.db2.gz IZGXRUJLLTXLJV-GOSISDBHSA-N 1 0 289.419 3.128 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2CC[C@H](C)[C@H](F)C2)cc1C ZINC000777965662 628316685 /nfs/dbraw/zinc/31/66/85/628316685.db2.gz BXLBNRZJGDLMEQ-IINYFYTJSA-N 1 0 251.345 3.189 20 10 CGCDRO OCCC1(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000778216891 628334717 /nfs/dbraw/zinc/33/47/17/628334717.db2.gz RIVFCMGAJFKXIX-UHFFFAOYSA-N 1 0 297.398 3.311 20 10 CGCDRO C[N@H+](Cc1cc(F)ccc1O)C1Cc2ccccc2C1 ZINC000779000144 628382693 /nfs/dbraw/zinc/38/26/93/628382693.db2.gz UOYIQPZYRRTYPZ-UHFFFAOYSA-N 1 0 271.335 3.131 20 10 CGCDRO COc1ccc(N2CCC([NH2+]CCC3CCC3)CC2)cc1 ZINC000781515813 628568146 /nfs/dbraw/zinc/56/81/46/628568146.db2.gz CIPFFRAJOOIAPQ-UHFFFAOYSA-N 1 0 288.435 3.444 20 10 CGCDRO CC1(C)CCC[C@@](O)(C[NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000782535233 628653303 /nfs/dbraw/zinc/65/33/03/628653303.db2.gz MJYZEWTVADYRKU-INIZCTEOSA-N 1 0 297.826 3.467 20 10 CGCDRO C[C@H]([NH2+]CCN(C)C1CCCCC1)c1ccccc1O ZINC000783499773 628719046 /nfs/dbraw/zinc/71/90/46/628719046.db2.gz BGGDGLWHNFXDJP-AWEZNQCLSA-N 1 0 276.424 3.307 20 10 CGCDRO COc1cc(C)cc(C[N@H+](C)C[C@H]2CC=CCC2)c1O ZINC000784017078 628766899 /nfs/dbraw/zinc/76/68/99/628766899.db2.gz VRKTWGAKTCPCIG-AWEZNQCLSA-N 1 0 275.392 3.497 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](C(C)(C)C)C2)cc1OC ZINC000784033295 628769676 /nfs/dbraw/zinc/76/96/76/628769676.db2.gz DWRBPLIRSHCKRM-ZDUSSCGKSA-N 1 0 293.407 3.277 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]CC[C@@H]2CCO[C@H](C)C2)c1 ZINC000784643585 628827295 /nfs/dbraw/zinc/82/72/95/628827295.db2.gz LYBPRBKZNAGTFU-ZIAGYGMSSA-N 1 0 293.407 3.086 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)Cc2ccnc(N)c2)cc1 ZINC000785630772 628876027 /nfs/dbraw/zinc/87/60/27/628876027.db2.gz LLORUTSPLYMVLF-UHFFFAOYSA-N 1 0 298.434 3.142 20 10 CGCDRO Cc1cc(Cl)cc(C[N@H+]2CC[C@H](C)C[C@H]2[C@@H](C)O)c1O ZINC000785986807 628905526 /nfs/dbraw/zinc/90/55/26/628905526.db2.gz DOZNERVFTXHMDS-NVBFEUDRSA-N 1 0 297.826 3.335 20 10 CGCDRO CC[C@@H]([NH2+]CC[C@@H](OC)C(F)(F)F)c1ccccc1O ZINC000786951162 628972080 /nfs/dbraw/zinc/97/20/80/628972080.db2.gz URKXBELNBCQKCA-DGCLKSJQSA-N 1 0 291.313 3.400 20 10 CGCDRO CS[C@@H](C)C[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000788668312 629071703 /nfs/dbraw/zinc/07/17/03/629071703.db2.gz AIWHHADNJWFDIX-NWDGAFQWSA-N 1 0 253.411 3.411 20 10 CGCDRO CCOC(=O)CC1([NH2+]Cc2cccc(C)c2O)CCCC1 ZINC000789779956 629167680 /nfs/dbraw/zinc/16/76/80/629167680.db2.gz SLOFHODTJUEMKO-UHFFFAOYSA-N 1 0 291.391 3.056 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCC2CCOCC2)c1 ZINC000790324602 629205814 /nfs/dbraw/zinc/20/58/14/629205814.db2.gz KINWDVFJNGUTEK-ZDUSSCGKSA-N 1 0 293.407 3.258 20 10 CGCDRO CC[C@@H]([NH2+]CCCCCO)c1cc(Cl)ccc1O ZINC000790496718 629213812 /nfs/dbraw/zinc/21/38/12/629213812.db2.gz ZJESNVYSYZNCBL-CYBMUJFWSA-N 1 0 271.788 3.249 20 10 CGCDRO Cc1ccc2c(c1)CC[N@@H+](Cc1ccccc1O)C2 ZINC000792179969 629345748 /nfs/dbraw/zinc/34/57/48/629345748.db2.gz JTKKLJLYNLEEQD-UHFFFAOYSA-N 1 0 253.345 3.259 20 10 CGCDRO CSCCC[N@H+](C)Cc1cc(F)c(N(C)C)cc1F ZINC000862353975 629347394 /nfs/dbraw/zinc/34/73/94/629347394.db2.gz HQMLNAAPAQRBRK-UHFFFAOYSA-N 1 0 288.407 3.216 20 10 CGCDRO Cc1ccc(O)c(C[NH+]2C[C@H](C)C(F)(F)[C@@H](C)C2)c1 ZINC000862443579 629376981 /nfs/dbraw/zinc/37/69/81/629376981.db2.gz PUODMVBPTLHIOW-RYUDHWBXSA-N 1 0 269.335 3.424 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)c1 ZINC000862478264 629383372 /nfs/dbraw/zinc/38/33/72/629383372.db2.gz FFVCVMVXGBOIKF-AWEZNQCLSA-N 1 0 292.382 3.439 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]CCCc2cnccc2C)c1 ZINC000862477110 629384104 /nfs/dbraw/zinc/38/41/04/629384104.db2.gz CDSCVBFREWTKBQ-UHFFFAOYSA-N 1 0 270.376 3.126 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2cccc(C)c2O)c1 ZINC000862476042 629384351 /nfs/dbraw/zinc/38/43/51/629384351.db2.gz GGDVMQXYSZSEAJ-UHFFFAOYSA-N 1 0 257.333 3.004 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH+]1CC(Cc2ccco2)C1 ZINC000862486939 629387031 /nfs/dbraw/zinc/38/70/31/629387031.db2.gz KVZRTPGRSAPDGR-UHFFFAOYSA-N 1 0 284.403 3.329 20 10 CGCDRO Oc1ccc(F)cc1C[NH+]1CC(Cc2cccs2)C1 ZINC000862538828 629394499 /nfs/dbraw/zinc/39/44/99/629394499.db2.gz FJZDZSZBAYFDFZ-UHFFFAOYSA-N 1 0 277.364 3.267 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000793230688 629433159 /nfs/dbraw/zinc/43/31/59/629433159.db2.gz IAVXKYYEJZDNMP-MWLCHTKSSA-N 1 0 289.297 3.174 20 10 CGCDRO COc1cc(O)c(C[N@H+](C)[C@@H]2CCC(C)(C)C2)cc1OC ZINC000793358590 629447196 /nfs/dbraw/zinc/44/71/96/629447196.db2.gz RRHUARAIHIZJBQ-CYBMUJFWSA-N 1 0 293.407 3.420 20 10 CGCDRO CC[C@@H]1CC[N@@H+]1Cc1c(O)c(C(=O)OC)cc2ccccc21 ZINC000793810098 629502585 /nfs/dbraw/zinc/50/25/85/629502585.db2.gz NAKLLZGHXFJFNF-CYBMUJFWSA-N 1 0 299.370 3.316 20 10 CGCDRO Cc1cnc([C@H](C)[NH2+][C@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000793906994 629507273 /nfs/dbraw/zinc/50/72/73/629507273.db2.gz JOSAYMYUQDNLBY-KGLIPLIRSA-N 1 0 284.407 3.263 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H](O)c1ccccc1)c1ccc(C)cc1O ZINC000794795206 629577650 /nfs/dbraw/zinc/57/76/50/629577650.db2.gz OWETVKJVHYNQQG-SJLPKXTDSA-N 1 0 285.387 3.475 20 10 CGCDRO CC[C@@H]([NH2+]CCN(C)C(C)C)c1ccc(C)cc1O ZINC000794803459 629579618 /nfs/dbraw/zinc/57/96/18/629579618.db2.gz JDNHSAFDGCCDLM-OAHLLOKOSA-N 1 0 264.413 3.082 20 10 CGCDRO CC[C@H]([NH2+]C[C@@](C)(O)C(C)C)c1ccc(C)cc1O ZINC000794806328 629580264 /nfs/dbraw/zinc/58/02/64/629580264.db2.gz HJZIUWUQAUAPML-GOEBONIOSA-N 1 0 265.397 3.148 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cscn1)c1ccc(C)cc1O ZINC000794805742 629580628 /nfs/dbraw/zinc/58/06/28/629580628.db2.gz QTXDGWCMEGMFRH-CYBMUJFWSA-N 1 0 262.378 3.398 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](C)N(CC)CC)c1ccc(C)cc1O ZINC000794830541 629583387 /nfs/dbraw/zinc/58/33/87/629583387.db2.gz KDGLAOOGNDHTJQ-ZBFHGGJFSA-N 1 0 278.440 3.472 20 10 CGCDRO CC[C@H](N[C@@H]1CC[NH2+]C12CCC2)c1ccc(N(C)C)cc1 ZINC000863540889 629601329 /nfs/dbraw/zinc/60/13/29/629601329.db2.gz FNBXCKSOWWCXPD-DLBZAZTESA-N 1 0 287.451 3.078 20 10 CGCDRO C[C@H](N[C@H]1CC[C@@H](C)[NH2+]C1)c1cc2c(cc1O)CCCC2 ZINC000863546684 629602858 /nfs/dbraw/zinc/60/28/58/629602858.db2.gz MVRVIHNMCHEBDS-WWGRRREGSA-N 1 0 288.435 3.062 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1CC)c1cccc(Cl)c1[O-] ZINC000863543642 629603257 /nfs/dbraw/zinc/60/32/57/629603257.db2.gz UFSCHUGMPDRFAX-MELADBBJSA-N 1 0 282.815 3.227 20 10 CGCDRO C[C@@H](N[C@@H]1CC[NH2+][C@H]1C)c1cc(Cl)c(Cl)cc1O ZINC000863547237 629603396 /nfs/dbraw/zinc/60/33/96/629603396.db2.gz QGNARHZRFOEGDH-RGNHYFCHSA-N 1 0 289.206 3.100 20 10 CGCDRO CO[C@H]1C[C@@H]([N@H+](C)Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000795673297 629708430 /nfs/dbraw/zinc/70/84/30/629708430.db2.gz AABXWDPEMQTJQF-OKILXGFUSA-N 1 0 293.407 3.005 20 10 CGCDRO CCc1cccc(C[NH2+][C@H](C2CCC2)[C@H]2CCOC2)c1O ZINC000864055461 629750852 /nfs/dbraw/zinc/75/08/52/629750852.db2.gz QAUWIAFOJCRBAY-DLBZAZTESA-N 1 0 289.419 3.249 20 10 CGCDRO C[C@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000796384175 629774296 /nfs/dbraw/zinc/77/42/96/629774296.db2.gz MFTUCEVJPLDEOL-YJBOKZPZSA-N 1 0 290.451 3.268 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2CCOC[C@H]2C)cc1 ZINC000796497245 629790155 /nfs/dbraw/zinc/79/01/55/629790155.db2.gz HJEOSTZXGPNUNA-WBVHZDCISA-N 1 0 290.451 3.295 20 10 CGCDRO Cc1cc2cc(C[NH2+]Cc3ccccc3O)ccc2[nH]1 ZINC000796527295 629795818 /nfs/dbraw/zinc/79/58/18/629795818.db2.gz FBAQHZOJORFUMY-UHFFFAOYSA-N 1 0 266.344 3.472 20 10 CGCDRO CCOc1ccc(C[N@H+]2CC(C)=C[C@@H](C)C2)c(O)c1 ZINC000797604695 629970488 /nfs/dbraw/zinc/97/04/88/629970488.db2.gz HSJMITFDRRFDEC-GFCCVEGCSA-N 1 0 261.365 3.189 20 10 CGCDRO OC[C@@H](C[NH2+]Cc1c(O)cccc1Cl)CC1CCCC1 ZINC000798503572 630060696 /nfs/dbraw/zinc/06/06/96/630060696.db2.gz KGLRIDGJZJLIQO-CYBMUJFWSA-N 1 0 297.826 3.324 20 10 CGCDRO COc1cncc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1C ZINC000865531958 630171227 /nfs/dbraw/zinc/17/12/27/630171227.db2.gz QVGGMHBVVNVNEZ-AWEZNQCLSA-N 1 0 299.418 3.315 20 10 CGCDRO C[C@H]([NH2+]Cc1cn(C2CC2)cn1)c1ccc(N(C)C)cc1 ZINC000865532240 630172468 /nfs/dbraw/zinc/17/24/68/630172468.db2.gz VQXQMNJIHGKBPD-ZDUSSCGKSA-N 1 0 284.407 3.135 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2CCCC[C@@H]2OC)cc1C ZINC000799352423 630174425 /nfs/dbraw/zinc/17/44/25/630174425.db2.gz TYJIESHTKILVCB-HOCLYGCPSA-N 1 0 263.381 3.051 20 10 CGCDRO C[C@@H]1CCC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000799390734 630177691 /nfs/dbraw/zinc/17/76/91/630177691.db2.gz QUPXDVKFFJDUGO-GFCCVEGCSA-N 1 0 256.349 3.172 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+][C@H]2CCCC[C@@H]2OC)c1O ZINC000799739749 630229347 /nfs/dbraw/zinc/22/93/47/630229347.db2.gz DAOIFYYZAQJGNH-STQMWFEESA-N 1 0 299.798 3.101 20 10 CGCDRO COc1cccc(C[NH2+]Cc2ccc3c(c2)CCO3)c1F ZINC000800231443 630254349 /nfs/dbraw/zinc/25/43/49/630254349.db2.gz MTXMLBOLLIAWOJ-UHFFFAOYSA-N 1 0 287.334 3.059 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCC[C@H]3C[C@H]32)c1 ZINC000800987184 630317660 /nfs/dbraw/zinc/31/76/60/630317660.db2.gz RRYALWMYMWOXJH-BVIHXZOGSA-N 1 0 261.365 3.240 20 10 CGCDRO CCN(CC)c1ccc(C[NH+]2CC(C)C2)cc1F ZINC000802650925 630402551 /nfs/dbraw/zinc/40/25/51/630402551.db2.gz FFHIPQFVLWSOBG-UHFFFAOYSA-N 1 0 250.361 3.124 20 10 CGCDRO CC[C@@H]1CC[C@H]1[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000806136269 630547163 /nfs/dbraw/zinc/54/71/63/630547163.db2.gz AHNAWBGXWQZYSU-RDTXWAMCSA-N 1 0 288.435 3.442 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H](CO)C(C)C)c1ccc(C)cc1O ZINC000806169414 630553158 /nfs/dbraw/zinc/55/31/58/630553158.db2.gz LGNVCLKPRYRTAW-UKRRQHHQSA-N 1 0 265.397 3.006 20 10 CGCDRO CCCCN(C)C[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC000808455226 630646985 /nfs/dbraw/zinc/64/69/85/630646985.db2.gz YIYXDTYMNOXGPR-HNNXBMFYSA-N 1 0 278.440 3.214 20 10 CGCDRO CCN1CCC[C@@H]1C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808672262 630662580 /nfs/dbraw/zinc/66/25/80/630662580.db2.gz HWXFRPCSJWGESL-GXTWGEPZSA-N 1 0 296.842 3.489 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](O)CC(C)C)c1O ZINC000808687877 630664622 /nfs/dbraw/zinc/66/46/22/630664622.db2.gz VSXKIJKHASAEEI-AAEUAGOBSA-N 1 0 285.815 3.412 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2O)c1O ZINC000808694602 630665626 /nfs/dbraw/zinc/66/56/26/630665626.db2.gz FDPICMQDDXVGOM-BPNCWPANSA-N 1 0 283.799 3.308 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](C)c2cnn(C)c2)c1O ZINC000808698700 630666218 /nfs/dbraw/zinc/66/62/18/630666218.db2.gz KKICYUBHGLQMRE-GHMZBOCLSA-N 1 0 293.798 3.499 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)CCCO)c1O ZINC000808701776 630667269 /nfs/dbraw/zinc/66/72/69/630667269.db2.gz ICRZKCNQTOGSFD-MNOVXSKESA-N 1 0 271.788 3.166 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)C(C)(C)O)c1O ZINC000808710167 630668256 /nfs/dbraw/zinc/66/82/56/630668256.db2.gz ZDQBZYSBMSXTOS-UWVGGRQHSA-N 1 0 271.788 3.164 20 10 CGCDRO CC(C)C(=O)CC[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000808710355 630668285 /nfs/dbraw/zinc/66/82/85/630668285.db2.gz IGODBBCHSTWQOA-UHFFFAOYSA-N 1 0 288.435 3.332 20 10 CGCDRO CCc1cc(CCC[N@H+](C)Cc2ccccc2O)on1 ZINC000809575810 630753277 /nfs/dbraw/zinc/75/32/77/630753277.db2.gz MFBHUGSKRCQSKU-UHFFFAOYSA-N 1 0 274.364 3.007 20 10 CGCDRO Cc1ccc([C@H](O)[C@H](C)[NH2+]Cc2cc(F)ccc2O)cc1 ZINC000809701817 630785937 /nfs/dbraw/zinc/78/59/37/630785937.db2.gz LZFQRQYMWVAVCQ-YVEFUNNKSA-N 1 0 289.350 3.051 20 10 CGCDRO Cc1ccc2c(c1)C[N@@H+](Cc1cc(F)ccc1O)CCO2 ZINC000809703762 630786887 /nfs/dbraw/zinc/78/68/87/630786887.db2.gz POAXGSUOMVYERR-UHFFFAOYSA-N 1 0 287.334 3.234 20 10 CGCDRO COc1cccc(C[NH2+]C[C@@H](C)CC(C)C)c1O ZINC000809740449 630793518 /nfs/dbraw/zinc/79/35/18/630793518.db2.gz YYMCEJGYBSLXLN-LBPRGKRZSA-N 1 0 251.370 3.173 20 10 CGCDRO CCC[N@H+](CCC[NH+](C)C)Cc1cccc(Cl)c1[O-] ZINC000809754595 630799968 /nfs/dbraw/zinc/79/99/68/630799968.db2.gz CKAKAGRCSAUGGZ-UHFFFAOYSA-N 1 0 284.831 3.209 20 10 CGCDRO CCCCN(C)C[C@@H](C)[NH2+]Cc1cc(Cl)ccc1O ZINC000810163286 630848803 /nfs/dbraw/zinc/84/88/03/630848803.db2.gz NZEBHDGBUJCESA-GFCCVEGCSA-N 1 0 284.831 3.256 20 10 CGCDRO CCC[N@H+](CC)C[C@@H](C)NCc1ccc(OC)c(C)c1 ZINC000810180163 630851021 /nfs/dbraw/zinc/85/10/21/630851021.db2.gz PHHKGJPCSUUNHN-OAHLLOKOSA-N 1 0 278.440 3.214 20 10 CGCDRO CC[C@@H](C[NH2+][C@@H](C)c1ccc(N(C)CC)cc1)OC ZINC000810257857 630860269 /nfs/dbraw/zinc/86/02/69/630860269.db2.gz IGXSCFJWQTXHAP-BBRMVZONSA-N 1 0 264.413 3.218 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](CO)C2CCCC2)cc1 ZINC000810259373 630861316 /nfs/dbraw/zinc/86/13/16/630861316.db2.gz HYUWVCHPOOCQCY-KSSFIOAISA-N 1 0 290.451 3.344 20 10 CGCDRO COCC1(CC[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)CC1 ZINC000842891295 635505770 /nfs/dbraw/zinc/50/57/70/635505770.db2.gz SJPGQUOAQBTAMA-WCQYABFASA-N 1 0 293.382 3.486 20 10 CGCDRO COCC1(CC[NH2+][C@H](C)c2ccc(C)c(C)c2O)CC1 ZINC000842891634 635505979 /nfs/dbraw/zinc/50/59/79/635505979.db2.gz ZEDCFLVKGCCJPS-CQSZACIVSA-N 1 0 277.408 3.476 20 10 CGCDRO Cc1c[nH]nc1C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000811463371 631068932 /nfs/dbraw/zinc/06/89/32/631068932.db2.gz SPBHQYVJDKTDOI-UHFFFAOYSA-N 1 0 285.391 3.369 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+](C(C)C)[C@H]2CCOC2)c1 ZINC000812290664 631235739 /nfs/dbraw/zinc/23/57/39/631235739.db2.gz FKPDXASZGTWLIV-HNNXBMFYSA-N 1 0 263.381 3.008 20 10 CGCDRO CC[N@@H+](Cc1cc2c(cc1O)CCCC2)C[C@@H](C)OC ZINC000812300978 631236391 /nfs/dbraw/zinc/23/63/91/631236391.db2.gz AMXWLSGBIFNGBG-CYBMUJFWSA-N 1 0 277.408 3.128 20 10 CGCDRO COc1cccc(O)c1CNc1cc2c(c[nH+]1)CCCC2 ZINC000812782342 631307876 /nfs/dbraw/zinc/30/78/76/631307876.db2.gz WQQZCLFVRLWXKV-UHFFFAOYSA-N 1 0 284.359 3.287 20 10 CGCDRO COc1ccc(O)c(C[NH+](C2CCC2)C2CCC2)c1 ZINC000814177409 631538602 /nfs/dbraw/zinc/53/86/02/631538602.db2.gz AYAPCJQXBZOSTD-UHFFFAOYSA-N 1 0 261.365 3.308 20 10 CGCDRO Oc1cccc(Cl)c1C[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000814178207 631538890 /nfs/dbraw/zinc/53/88/90/631538890.db2.gz HJNLMBRACCJSIW-CYBMUJFWSA-N 1 0 295.810 3.294 20 10 CGCDRO CC[C@H]1CC[N@@H+]1Cc1cc(Br)cc(C)c1O ZINC000814179631 631540080 /nfs/dbraw/zinc/54/00/80/631540080.db2.gz WPGLPKXBPHORQH-LBPRGKRZSA-N 1 0 284.197 3.447 20 10 CGCDRO CC[C@H]([NH2+]Cc1nnc(C(C)(C)C)[nH]1)c1ccccc1O ZINC000814629240 631614898 /nfs/dbraw/zinc/61/48/98/631614898.db2.gz KRKFOFKCVCMGKR-LBPRGKRZSA-N 1 0 288.395 3.049 20 10 CGCDRO Cc1cc(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)ccc1N(C)C ZINC000815020057 631704838 /nfs/dbraw/zinc/70/48/38/631704838.db2.gz YAXORYLDZYWKOZ-MRXNPFEDSA-N 1 0 298.434 3.164 20 10 CGCDRO Cc1cc(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)ccc1N(C)C ZINC000815020056 631705281 /nfs/dbraw/zinc/70/52/81/631705281.db2.gz YAXORYLDZYWKOZ-INIZCTEOSA-N 1 0 298.434 3.164 20 10 CGCDRO Cc1cc(C[N@@H+]2CCC[C@H]2C2CC2)ccc1N(C)C ZINC000815037327 631706353 /nfs/dbraw/zinc/70/63/53/631706353.db2.gz HYEMUXJIPNSNOD-KRWDZBQOSA-N 1 0 258.409 3.435 20 10 CGCDRO Cc1cc(C[N@@H+](C)[C@@]2(CO)CC[C@H](C)C2)ccc1N(C)C ZINC000815095674 631716760 /nfs/dbraw/zinc/71/67/60/631716760.db2.gz FVUGYZIPDBDMKB-KSSFIOAISA-N 1 0 290.451 3.044 20 10 CGCDRO Cc1cc(C[NH2+]C(C)(C)C2CCOCC2)ccc1N(C)C ZINC000815104730 631717935 /nfs/dbraw/zinc/71/79/35/631717935.db2.gz SHOCRZPYYLZJLQ-UHFFFAOYSA-N 1 0 290.451 3.356 20 10 CGCDRO CCOC1(C[NH2+]Cc2ccc(N(C)C)c(F)c2)CCCC1 ZINC000815148964 631730678 /nfs/dbraw/zinc/73/06/78/631730678.db2.gz SBWRIAYAEKNNSY-UHFFFAOYSA-N 1 0 294.414 3.331 20 10 CGCDRO COc1ccc(C[NH2+]C[C@]2(O)CCCC2(C)C)cc1C ZINC000815147334 631730775 /nfs/dbraw/zinc/73/07/75/631730775.db2.gz QTIZDEAIHRUQQB-QGZVFWFLSA-N 1 0 277.408 3.034 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCOCC(F)(F)F)c(O)c1 ZINC000815567626 631796502 /nfs/dbraw/zinc/79/65/02/631796502.db2.gz FYBCCDIRIIFRDR-LLVKDONJSA-N 1 0 291.313 3.239 20 10 CGCDRO CC[C@@H](C)N(C)CC[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000815574637 631798374 /nfs/dbraw/zinc/79/83/74/631798374.db2.gz XWQGDMCSRGGYEU-CABCVRRESA-N 1 0 278.440 3.390 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+][C@H]2CC[C@@H](CO)CC2)c(O)c1 ZINC000815588332 631802534 /nfs/dbraw/zinc/80/25/34/631802534.db2.gz KURUMWXPZUDYRC-KFWWJZLASA-N 1 0 277.408 3.211 20 10 CGCDRO C[C@@H](F)CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000815645501 631812041 /nfs/dbraw/zinc/81/20/41/631812041.db2.gz HUQJSZIYFJOORD-OLZOCXBDSA-N 1 0 298.377 3.061 20 10 CGCDRO C[C@@H]([NH2+]C[C@H](CO)C1CCCCC1)c1cc(F)ccc1O ZINC000815648631 631812773 /nfs/dbraw/zinc/81/27/73/631812773.db2.gz SKGWZPOYQRFZRS-TZMCWYRMSA-N 1 0 295.398 3.371 20 10 CGCDRO CC1CCN(CC[NH2+]Cc2ccc3ccccc3c2O)CC1 ZINC000816535649 632005144 /nfs/dbraw/zinc/00/51/44/632005144.db2.gz VUKYADAVGCLONG-UHFFFAOYSA-N 1 0 298.430 3.367 20 10 CGCDRO Oc1c(C[NH2+]CCc2cscn2)ccc2ccccc21 ZINC000816553238 632010037 /nfs/dbraw/zinc/01/00/37/632010037.db2.gz OBHKKLORNPNVPU-UHFFFAOYSA-N 1 0 284.384 3.334 20 10 CGCDRO CC(C)[C@@H](CCO)[NH2+]Cc1ccc2ccccc2c1O ZINC000816554127 632010710 /nfs/dbraw/zinc/01/07/10/632010710.db2.gz PJRBIQWOSDFSGP-MRXNPFEDSA-N 1 0 273.376 3.042 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc3ccccc3c2O)CN1C1CC1 ZINC000816556642 632011555 /nfs/dbraw/zinc/01/15/55/632011555.db2.gz PVTKHVWKRKBFDU-CJNGLKHVSA-N 1 0 296.414 3.260 20 10 CGCDRO CO[C@H]1C[C@@H]([N@H+](C)Cc2ccc3ccccc3c2O)C1 ZINC000816608094 632023150 /nfs/dbraw/zinc/02/31/50/632023150.db2.gz OXAVLRVVNODCCH-GASCZTMLSA-N 1 0 271.360 3.155 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+][C@H](C)c2cc[nH]c(=O)c2)c1O ZINC000816638897 632027624 /nfs/dbraw/zinc/02/76/24/632027624.db2.gz BBUWYYOUFDUJOS-SNVBAGLBSA-N 1 0 292.766 3.305 20 10 CGCDRO CC(C)(C)C1CC([NH2+]Cc2cc(F)ccc2O)C1 ZINC000816642406 632029556 /nfs/dbraw/zinc/02/95/56/632029556.db2.gz YPXLMABVLXVXOH-UHFFFAOYSA-N 1 0 251.345 3.446 20 10 CGCDRO CC[C@@H]1C[NH+](Cc2cc(C)cc(OC)c2O)C[C@@H](CC)O1 ZINC000817364013 632131674 /nfs/dbraw/zinc/13/16/74/632131674.db2.gz BELAXBGTTLJNOL-HUUCEWRRSA-N 1 0 293.407 3.099 20 10 CGCDRO COC1([C@H](C)[NH2+]Cc2ccc3c(c2)CCO3)CCCC1 ZINC000817574785 632185775 /nfs/dbraw/zinc/18/57/75/632185775.db2.gz RLHXHIAEDJJIHS-ZDUSSCGKSA-N 1 0 275.392 3.059 20 10 CGCDRO Cc1cc(C[NH2+][C@H](C)c2cc(F)ccc2O)cc(C)n1 ZINC000817588482 632193117 /nfs/dbraw/zinc/19/31/17/632193117.db2.gz GJANVTBIJMPVRP-GFCCVEGCSA-N 1 0 274.339 3.394 20 10 CGCDRO CCC[C@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)C1CCC1 ZINC000817942586 632240371 /nfs/dbraw/zinc/24/03/71/632240371.db2.gz PQVVOEGNYRGQSP-ROUUACIJSA-N 1 0 289.467 3.311 20 10 CGCDRO Cc1ccc2c(c1)[C@@H]([NH2+]CCc1ccc(N)cc1)CC2 ZINC000817955908 632251094 /nfs/dbraw/zinc/25/10/94/632251094.db2.gz KUFNNAZDCIAGNW-SFHVURJKSA-N 1 0 266.388 3.397 20 10 CGCDRO CCc1ccc([C@H](C)[NH2+]CCc2ccc(N)cc2)o1 ZINC000817956079 632251318 /nfs/dbraw/zinc/25/13/18/632251318.db2.gz QDLAEBAHGOWWBV-LBPRGKRZSA-N 1 0 258.365 3.318 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCc2ccc(N)cc2)c1 ZINC000817957314 632252089 /nfs/dbraw/zinc/25/20/89/632252089.db2.gz KSYNTOFHPSOCDY-CYBMUJFWSA-N 1 0 270.376 3.176 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](CN)CC(C)C)cc1 ZINC000817958149 632253564 /nfs/dbraw/zinc/25/35/64/632253564.db2.gz IKKJUZXBCMABOP-GOEBONIOSA-N 1 0 277.456 3.167 20 10 CGCDRO CC[C@H]([NH2+]CC(C)(C)[NH3+])c1cc(Cl)cc(Cl)c1[O-] ZINC000817960538 632255895 /nfs/dbraw/zinc/25/58/95/632255895.db2.gz NEJZCUKBKYACQP-NSHDSACASA-N 1 0 291.222 3.477 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2NCCc3ccccc32)c(O)c1 ZINC000817973400 632265812 /nfs/dbraw/zinc/26/58/12/632265812.db2.gz FFNRRKGSHGTGLJ-RDTXWAMCSA-N 1 0 296.414 3.238 20 10 CGCDRO CC[C@H]([NH2+]CCC[NH2+]C1CC1)c1cccc(Cl)c1[O-] ZINC000817983652 632273207 /nfs/dbraw/zinc/27/32/07/632273207.db2.gz HNYQBHXGGTXMNV-AWEZNQCLSA-N 1 0 282.815 3.228 20 10 CGCDRO CC[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1cccc(Cl)c1[O-] ZINC000817986442 632274383 /nfs/dbraw/zinc/27/43/83/632274383.db2.gz PZZIFYNJZQTZLZ-HNNXBMFYSA-N 1 0 294.826 3.396 20 10 CGCDRO C[C@H]([NH2+][C@H]1CC12CC2)c1cc(Br)ccc1O ZINC000818355502 632312673 /nfs/dbraw/zinc/31/26/73/632312673.db2.gz GYSHMIDLUBOQMT-UFBFGSQYSA-N 1 0 282.181 3.358 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2C[C@H]2C(F)(F)F)cc1C ZINC000865753216 632878773 /nfs/dbraw/zinc/87/87/73/632878773.db2.gz IGSAVLPJGIDBKV-GHMZBOCLSA-N 1 0 259.271 3.049 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2c3ccccc3CN2C)cc1C ZINC000865806715 632896381 /nfs/dbraw/zinc/89/63/81/632896381.db2.gz SRGNSIQXMIGNKQ-SFHVURJKSA-N 1 0 296.414 3.285 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]CC[C@H]2CCSC2)c1O ZINC000866405160 633125278 /nfs/dbraw/zinc/12/52/78/633125278.db2.gz YDSXJRYOOCBDFF-RYUDHWBXSA-N 1 0 281.421 3.195 20 10 CGCDRO CCC[C@@H](CCO)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000866414546 633127250 /nfs/dbraw/zinc/12/72/50/633127250.db2.gz IAIVSUUHLAPAGE-JQWIXIFHSA-N 1 0 271.788 3.247 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccnc(F)c2)c(O)c1C ZINC000866472616 633147772 /nfs/dbraw/zinc/14/77/72/633147772.db2.gz BZDRAYTYVBDHKV-GFCCVEGCSA-N 1 0 274.339 3.394 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2ccnc(F)c2)c(O)c1 ZINC000866475372 633149258 /nfs/dbraw/zinc/14/92/58/633149258.db2.gz XIIDBGNLMDQORL-LBPRGKRZSA-N 1 0 274.339 3.394 20 10 CGCDRO CS[C@H]1C[C@H]([NH2+][C@@H](C)c2cc(C)ccc2O)C1 ZINC000866488907 633158570 /nfs/dbraw/zinc/15/85/70/633158570.db2.gz XRSPKFGQVXTPMA-SRVKXCTJSA-N 1 0 251.395 3.245 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2C[C@H]2C2CCOCC2)c(O)c1 ZINC000866537826 633180022 /nfs/dbraw/zinc/18/00/22/633180022.db2.gz JQVVHRSTLAFCEC-KMFMINBZSA-N 1 0 289.419 3.414 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H](C)c2ccnn2C)cc1 ZINC000866613435 633213754 /nfs/dbraw/zinc/21/37/54/633213754.db2.gz SRQPMGCZMHRIMW-ZIAGYGMSSA-N 1 0 286.423 3.288 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)c1ccnn1C ZINC000866615912 633215826 /nfs/dbraw/zinc/21/58/26/633215826.db2.gz XTKDVSGQMTZSIT-QWHCGFSZSA-N 1 0 299.418 3.416 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](C)c2ccnn2C)c1O ZINC000866616154 633215845 /nfs/dbraw/zinc/21/58/45/633215845.db2.gz ZJMJJYWNBDKKFN-GHMZBOCLSA-N 1 0 293.798 3.499 20 10 CGCDRO CC[C@H](C[C@H](C)O)[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000866635888 633224117 /nfs/dbraw/zinc/22/41/17/633224117.db2.gz UUJCMEROQNDOHF-HOSYDEDBSA-N 1 0 271.788 3.246 20 10 CGCDRO C[C@@H]([NH2+]Cc1cc2c([nH]c1=O)CCCC2)c1ccccc1O ZINC000866642020 633228028 /nfs/dbraw/zinc/22/80/28/633228028.db2.gz ZUASBRVJYOLCKB-GFCCVEGCSA-N 1 0 298.386 3.222 20 10 CGCDRO CC[C@@H]([NH2+]C1CCN(c2ccc(OC)cc2)CC1)C(F)F ZINC000824509238 633251405 /nfs/dbraw/zinc/25/14/05/633251405.db2.gz JUJHKLPFALZTHR-OAHLLOKOSA-N 1 0 298.377 3.297 20 10 CGCDRO Cc1ccccc1CC[N@@H+](C)Cc1ccccc1O ZINC000824554662 633258745 /nfs/dbraw/zinc/25/87/45/633258745.db2.gz KDIMDAMHGAPUJX-UHFFFAOYSA-N 1 0 255.361 3.375 20 10 CGCDRO CC[C@H](C)[C@H](C[NH2+]Cc1cc(C)c(C)cc1O)OC ZINC000824596239 633263226 /nfs/dbraw/zinc/26/32/26/633263226.db2.gz HIHISUBPQWVGOP-ZBEGNZNMSA-N 1 0 265.397 3.160 20 10 CGCDRO CCC[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)C1CC1 ZINC000876575714 634861552 /nfs/dbraw/zinc/86/15/52/634861552.db2.gz PZIJZKAMSWLGPR-UHFFFAOYSA-N 1 0 288.435 3.022 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2CCC[C@H]2C[C@H](C)O)cc1Cl ZINC000824829676 633296341 /nfs/dbraw/zinc/29/63/41/633296341.db2.gz KGXODJPYXQMXAU-AAEUAGOBSA-N 1 0 283.799 3.089 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000876584897 634862646 /nfs/dbraw/zinc/86/26/46/634862646.db2.gz RYYHHKPDKIFNMY-MRXNPFEDSA-N 1 0 268.360 3.433 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC3(C2)CCOCC3)cc1Cl ZINC000824913854 633305286 /nfs/dbraw/zinc/30/52/86/633305286.db2.gz ZMQVQZVUCDQAKB-UHFFFAOYSA-N 1 0 295.810 3.357 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2C[C@H](C3CC3)[C@H]2C2CC2)c1 ZINC000824941366 633309272 /nfs/dbraw/zinc/30/92/72/633309272.db2.gz MUOHXZRTSRWNRA-NVXWUHKLSA-N 1 0 257.377 3.321 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)c1nccn1CC)c1ccccc1O ZINC000825005384 633316334 /nfs/dbraw/zinc/31/63/34/633316334.db2.gz JBZCIHUFJIVUNP-OCCSQVGLSA-N 1 0 273.380 3.411 20 10 CGCDRO CCC1(C[NH2+]Cc2ccc3ccccc3c2O)COC1 ZINC000825079602 633326874 /nfs/dbraw/zinc/32/68/74/633326874.db2.gz WMCJWTYIVWIXJM-UHFFFAOYSA-N 1 0 271.360 3.062 20 10 CGCDRO CCCc1ncc(C[NH2+][C@H](C)c2cc(OC)ccc2O)o1 ZINC000825085655 633326937 /nfs/dbraw/zinc/32/69/37/633326937.db2.gz LZYJOOODCWZTSI-LLVKDONJSA-N 1 0 290.363 3.192 20 10 CGCDRO Cc1nc(CC[NH2+]Cc2cc(Cl)c(C)cc2O)cs1 ZINC000825096814 633327958 /nfs/dbraw/zinc/32/79/58/633327958.db2.gz JWTUNIDDEGKULE-UHFFFAOYSA-N 1 0 296.823 3.451 20 10 CGCDRO Oc1ccccc1C[NH2+]C1(Cc2ccccc2)CCOCC1 ZINC000825188437 633334636 /nfs/dbraw/zinc/33/46/36/633334636.db2.gz KSEMFSVXDKAIOR-UHFFFAOYSA-N 1 0 297.398 3.274 20 10 CGCDRO Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825246556 633338583 /nfs/dbraw/zinc/33/85/83/633338583.db2.gz DDBRNFHOPJYNCH-SNVBAGLBSA-N 1 0 293.798 3.247 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)cc1Cl ZINC000825304011 633343089 /nfs/dbraw/zinc/34/30/89/633343089.db2.gz PJCIWKHEFALPEK-KCPJHIHWSA-N 1 0 295.810 3.257 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H](C)Cc2ccncc2)cc1Cl ZINC000825327034 633346329 /nfs/dbraw/zinc/34/63/29/633346329.db2.gz UPQNIAVCLKYZLX-GFCCVEGCSA-N 1 0 290.794 3.470 20 10 CGCDRO COc1cc(F)cc(C[C@@H](C)[NH2+]Cc2ccccc2O)c1 ZINC000825326927 633346510 /nfs/dbraw/zinc/34/65/10/633346510.db2.gz PXRQCWPDCGNBJQ-GFCCVEGCSA-N 1 0 289.350 3.261 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCO[C@@H](C)C2)cc1Cl ZINC000825380272 633350533 /nfs/dbraw/zinc/35/05/33/633350533.db2.gz ZRROKCWPSWAINR-CMPLNLGQSA-N 1 0 269.772 3.011 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H](C)[C@H]2CCCOC2)cc1Cl ZINC000825469059 633357013 /nfs/dbraw/zinc/35/70/13/633357013.db2.gz UXULNSRVTDBRIG-NEPJUHHUSA-N 1 0 283.799 3.259 20 10 CGCDRO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825501490 633358840 /nfs/dbraw/zinc/35/88/40/633358840.db2.gz QBKYUAZNNPRZKH-WDEREUQCSA-N 1 0 299.798 3.031 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2CCCC[C@@H]2C[C@H](C)O)cc1Cl ZINC000825731034 633377981 /nfs/dbraw/zinc/37/79/81/633377981.db2.gz CIZDJWWHHKTRLA-GXTWGEPZSA-N 1 0 297.826 3.479 20 10 CGCDRO CCCC[N@H+](Cc1cnc(C)n1C)Cc1ccccc1O ZINC000825788997 633382013 /nfs/dbraw/zinc/38/20/13/633382013.db2.gz LWRADDWEGMHYCC-UHFFFAOYSA-N 1 0 287.407 3.236 20 10 CGCDRO CCOC1CCC([NH2+][C@@H](C)c2cc(OC)ccc2O)CC1 ZINC000825935503 633389446 /nfs/dbraw/zinc/38/94/46/633389446.db2.gz WEVJJLVNIMUVGK-HSBZDZAISA-N 1 0 293.407 3.399 20 10 CGCDRO COC1(C[NH2+]Cc2cc(Cl)c(C)cc2O)CCCC1 ZINC000826023990 633397742 /nfs/dbraw/zinc/39/77/42/633397742.db2.gz NNCNIZQMYBTWOW-UHFFFAOYSA-N 1 0 283.799 3.403 20 10 CGCDRO CCC[C@H](C[NH2+]Cc1cc(Cl)c(C)cc1O)OC ZINC000826030043 633399025 /nfs/dbraw/zinc/39/90/25/633399025.db2.gz NLMRQNZSUTVZDC-GFCCVEGCSA-N 1 0 271.788 3.259 20 10 CGCDRO CO[C@@H]1CC[N@H+](Cc2cc(Cl)c(C)cc2O)C[C@@H]1C ZINC000826063019 633401633 /nfs/dbraw/zinc/40/16/33/633401633.db2.gz ZTPJZCJQADSTEV-XHDPSFHLSA-N 1 0 283.799 3.211 20 10 CGCDRO COc1ccc(O)c(C[NH+]2CC(Cc3ccc(C)cc3)C2)c1 ZINC000827320552 633482035 /nfs/dbraw/zinc/48/20/35/633482035.db2.gz KNDKNQMYIRHJIU-UHFFFAOYSA-N 1 0 297.398 3.384 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)c1 ZINC000827377478 633486908 /nfs/dbraw/zinc/48/69/08/633486908.db2.gz ZCUYHKJFTINDGH-QAPCUYQASA-N 1 0 289.419 3.482 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+][C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]12 ZINC000827704022 633511231 /nfs/dbraw/zinc/51/12/31/633511231.db2.gz AVZYUOYIDXBNGC-USXIJHARSA-N 1 0 287.309 3.098 20 10 CGCDRO Cc1cc(C[N@@H+]2CC[C@H](c3cccnc3)C2)ccc1N(C)C ZINC000829522364 633746828 /nfs/dbraw/zinc/74/68/28/633746828.db2.gz FHGDCVSYEXKMNW-SFHVURJKSA-N 1 0 295.430 3.446 20 10 CGCDRO CCC[C@H](C)[C@H](CO)[NH2+][C@H](C)c1cc(C)ccc1O ZINC000846182838 636154783 /nfs/dbraw/zinc/15/47/83/636154783.db2.gz DWHWQYXRYPJAIL-GUTXKFCHSA-N 1 0 265.397 3.148 20 10 CGCDRO C[C@@H](O)[C@@H]([NH2+][C@@H](C)c1ccccc1O)c1ccccc1F ZINC000846184538 636155572 /nfs/dbraw/zinc/15/55/72/636155572.db2.gz UNDXAFCFXNPMEN-XWCIJXRUSA-N 1 0 289.350 3.304 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]C[C@H]1COc3ccccc3C1)CC2 ZINC000834533840 634177326 /nfs/dbraw/zinc/17/73/26/634177326.db2.gz AWPAQTAAVSYEGL-XJKSGUPXSA-N 1 0 295.382 3.220 20 10 CGCDRO COc1cc(C[NH+]2CCC(SC)CC2)c(O)cc1C ZINC000872627991 634179580 /nfs/dbraw/zinc/17/95/80/634179580.db2.gz NRUVGMZTTSXEMB-UHFFFAOYSA-N 1 0 281.421 3.037 20 10 CGCDRO CC(C)CC[C@](C)(O)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834599418 634194871 /nfs/dbraw/zinc/19/48/71/634194871.db2.gz YNAPPEYOXVCOFF-PBHICJAKSA-N 1 0 277.408 3.156 20 10 CGCDRO Cc1cc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c(O)c(C(C)(C)C)c1 ZINC000872783912 634209936 /nfs/dbraw/zinc/20/99/36/634209936.db2.gz DFWZOUZELLRKPJ-GASCZTMLSA-N 1 0 289.419 3.076 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CCc3sccc3C2)c1 ZINC000124295076 634218068 /nfs/dbraw/zinc/21/80/68/634218068.db2.gz YPWIZVCSOHJJHF-UHFFFAOYSA-N 1 0 289.400 3.411 20 10 CGCDRO C[C@H]([NH2+][C@H]1C[C@@H](C)n2ccnc21)c1ccc(N(C)C)cc1 ZINC000834769408 634239011 /nfs/dbraw/zinc/23/90/11/634239011.db2.gz MSYSNWLLABRYEX-WWGRRREGSA-N 1 0 284.407 3.306 20 10 CGCDRO CCCCN(C)C[C@H](C)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834803905 634245041 /nfs/dbraw/zinc/24/50/41/634245041.db2.gz ZXRMRNNHWVZABD-ZFWWWQNUSA-N 1 0 276.424 3.090 20 10 CGCDRO CCCOc1ccc(C[NH2+]CCC2(CO)CC2)cc1C ZINC000873128997 634251357 /nfs/dbraw/zinc/25/13/57/634251357.db2.gz CWFJIHDCKCXHGV-UHFFFAOYSA-N 1 0 277.408 3.036 20 10 CGCDRO COc1ccc(C[NH2+]C2(C(C)C)CC2)cc1Cn1cccn1 ZINC000873128614 634251738 /nfs/dbraw/zinc/25/17/38/634251738.db2.gz XMPCREONMLZRAI-UHFFFAOYSA-N 1 0 299.418 3.218 20 10 CGCDRO CCC[C@H](C[NH2+][C@@H](C)c1ccc(C)c(C)c1O)OC ZINC000834839774 634253943 /nfs/dbraw/zinc/25/39/43/634253943.db2.gz CUJJQSTXKLZSJO-UONOGXRCSA-N 1 0 265.397 3.475 20 10 CGCDRO C[C@H]1C[C@H]([NH2+]CC2=CCOCC2)c2c1c(F)ccc2O ZINC000834859654 634257829 /nfs/dbraw/zinc/25/78/29/634257829.db2.gz HGOYRKYOSQYBMC-GWCFXTLKSA-N 1 0 277.339 3.016 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2C[C@H]3CCC[C@@H]3O2)cc1C ZINC000873156521 634264479 /nfs/dbraw/zinc/26/44/79/634264479.db2.gz KTEQOBWIEVASGS-KMFMINBZSA-N 1 0 275.392 3.056 20 10 CGCDRO C[C@H]([NH2+][C@@H]1C[C@H](C)n2ccnc21)c1cc(F)ccc1O ZINC000834893852 634270813 /nfs/dbraw/zinc/27/08/13/634270813.db2.gz HITZZAKFQWABOG-OUJBWJOFSA-N 1 0 275.327 3.084 20 10 CGCDRO C[C@H]([NH2+][C@H]1C[C@@H](C)n2ccnc21)c1cc(F)ccc1O ZINC000834893851 634271041 /nfs/dbraw/zinc/27/10/41/634271041.db2.gz HITZZAKFQWABOG-NRUUGDAUSA-N 1 0 275.327 3.084 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H]1CCCC[C@H]1O)c1ccc(N(C)C)cc1 ZINC000834900479 634276985 /nfs/dbraw/zinc/27/69/85/634276985.db2.gz PHVLKTBFRWXIMS-CGTJXYLNSA-N 1 0 290.451 3.344 20 10 CGCDRO Oc1ccccc1C[NH2+]C1CC(Nc2ccccc2)C1 ZINC000873191057 634278304 /nfs/dbraw/zinc/27/83/04/634278304.db2.gz PAZCPONWAGMNGT-UHFFFAOYSA-N 1 0 268.360 3.125 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H]1CCC[C@H]1O)c1cc(Cl)ccc1O ZINC000834906415 634282306 /nfs/dbraw/zinc/28/23/06/634282306.db2.gz QGWDVXMBGXEYHV-ZLKJLUDKSA-N 1 0 283.799 3.247 20 10 CGCDRO CC[C@H]([NH2+]C[C@H](O)C1CCC1)c1cc(Cl)ccc1O ZINC000834906923 634283465 /nfs/dbraw/zinc/28/34/65/634283465.db2.gz UIPXHOASYBZDQA-ZFWWWQNUSA-N 1 0 283.799 3.247 20 10 CGCDRO Cc1ccc(CC[NH2+][C@H](C)c2ccc(N(C)C)cc2)nc1 ZINC000834908444 634283596 /nfs/dbraw/zinc/28/35/96/634283596.db2.gz DWUUGDZBNKGQNQ-OAHLLOKOSA-N 1 0 283.419 3.349 20 10 CGCDRO CN(C)c1ccc(/C=C\C[N@H+](C)CC2CCOCC2)cc1 ZINC000835029430 634326304 /nfs/dbraw/zinc/32/63/04/634326304.db2.gz QVYJYPKFTCYHCG-PLNGDYQASA-N 1 0 288.435 3.124 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@H](O)c2ccccc2)cc1 ZINC000835032916 634327688 /nfs/dbraw/zinc/32/76/88/634327688.db2.gz AEFNEVNDOVDPER-GHOSXJJBSA-N 1 0 296.414 3.089 20 10 CGCDRO C[C@H](C[NH2+]C/C=C\c1ccc(N(C)C)cc1)C1CC1 ZINC000835038067 634328561 /nfs/dbraw/zinc/32/85/61/634328561.db2.gz UFNYSTFEFCSSRD-ZRUQZJFASA-N 1 0 258.409 3.402 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@H](O)CC(C)(C)C)cc1 ZINC000835040916 634329148 /nfs/dbraw/zinc/32/91/48/634329148.db2.gz WHCYJFQKTQTHQU-DKRLNXSXSA-N 1 0 290.451 3.153 20 10 CGCDRO CC[C@H](C[C@@H](C)CO)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835039884 634329547 /nfs/dbraw/zinc/32/95/47/634329547.db2.gz LXOAIBMIJSKANY-IKJDWHLJSA-N 1 0 290.451 3.153 20 10 CGCDRO CN(C)c1ccc(/C=C/C[N@H+](C)Cc2ccccn2)cc1 ZINC000835048529 634335607 /nfs/dbraw/zinc/33/56/07/634335607.db2.gz TZLQYKBDTYZSCN-VOTSOKGWSA-N 1 0 281.403 3.293 20 10 CGCDRO CCC(O)(CC)CC[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835050619 634336200 /nfs/dbraw/zinc/33/62/00/634336200.db2.gz QIVKOBIDKJKYJZ-FPLPWBNLSA-N 1 0 290.451 3.297 20 10 CGCDRO CC[N@H+](C/C=C\c1ccc(N(C)C)cc1)C[C@@H](C)OC ZINC000835055751 634339216 /nfs/dbraw/zinc/33/92/16/634339216.db2.gz OGQRHLFECVNODJ-ZPIQOJFGSA-N 1 0 276.424 3.123 20 10 CGCDRO CC(C)SCC[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835054739 634339649 /nfs/dbraw/zinc/33/96/49/634339649.db2.gz XVFLHJBUIORPGY-AATRIKPKSA-N 1 0 278.465 3.497 20 10 CGCDRO COc1ccc(C[NH2+]C[C@H]2CCOC(C)(C)C2)cc1C ZINC000835059537 634341032 /nfs/dbraw/zinc/34/10/32/634341032.db2.gz IVYRRUHZLMAUQJ-HNNXBMFYSA-N 1 0 277.408 3.298 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CC[C@@H](C)O2)c1O ZINC000835089245 634351626 /nfs/dbraw/zinc/35/16/26/634351626.db2.gz YLERDQBXNDCYEP-MFKMUULPSA-N 1 0 269.772 3.011 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccc3c(c2)OCO3)cc1 ZINC000102675129 634836359 /nfs/dbraw/zinc/83/63/59/634836359.db2.gz FJHFCVSLMWFTEQ-UHFFFAOYSA-N 1 0 298.386 3.113 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000876643329 634874869 /nfs/dbraw/zinc/87/48/69/634874869.db2.gz XDVCFUHJJCNDGT-TXEJJXNPSA-N 1 0 251.395 3.026 20 10 CGCDRO Cc1ccc(C[NH+]2CC(c3nc4ccccc4[nH]3)C2)c(O)c1 ZINC000876762652 634895404 /nfs/dbraw/zinc/89/54/04/634895404.db2.gz JBTAEQSUABQFLA-UHFFFAOYSA-N 1 0 293.370 3.176 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]CCCn1cnc2ccccc21 ZINC000876898637 634923603 /nfs/dbraw/zinc/92/36/03/634923603.db2.gz ODAYLVFCHGMHJT-UHFFFAOYSA-N 1 0 295.386 3.230 20 10 CGCDRO COc1cccc(CC[NH2+]Cc2c(C)cccc2O)c1 ZINC000876937182 634932361 /nfs/dbraw/zinc/93/23/61/634932361.db2.gz RBKWAGIYWYIHKB-UHFFFAOYSA-N 1 0 271.360 3.042 20 10 CGCDRO CCOc1ccccc1C[NH2+]Cc1c(C)cccc1O ZINC000876961619 634938988 /nfs/dbraw/zinc/93/89/88/634938988.db2.gz HTXJPEZWYIYGBZ-UHFFFAOYSA-N 1 0 271.360 3.389 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]CCCc1nc2ccccc2[nH]1 ZINC000876985024 634943055 /nfs/dbraw/zinc/94/30/55/634943055.db2.gz MTPSWYJZEMYLMD-UHFFFAOYSA-N 1 0 295.386 3.299 20 10 CGCDRO CSC(C)(C)CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000876996035 634946910 /nfs/dbraw/zinc/94/69/10/634946910.db2.gz MVBBXGZQHQJTHE-UHFFFAOYSA-N 1 0 265.422 3.243 20 10 CGCDRO ClC1(Cl)C[C@H]1C[NH2+]CCCSc1nccs1 ZINC000877061540 634967609 /nfs/dbraw/zinc/96/76/09/634967609.db2.gz KOMSLWGKLWLYRC-QMMMGPOBSA-N 1 0 297.276 3.409 20 10 CGCDRO CC[C@@H](C)[C@H](C[NH2+]CCCSc1nccs1)OC ZINC000877061286 634967696 /nfs/dbraw/zinc/96/76/96/634967696.db2.gz CXXAEXXMJRDFDB-NEPJUHHUSA-N 1 0 288.482 3.276 20 10 CGCDRO Cc1nc(C)c(C[NH2+]Cc2c(C)cccc2O)s1 ZINC000877065355 634968698 /nfs/dbraw/zinc/96/86/98/634968698.db2.gz KXNPPTDOQOPKEG-UHFFFAOYSA-N 1 0 262.378 3.064 20 10 CGCDRO Cc1ccc(C[NH2+][C@H](c2cnn(C)c2)C(C)(C)C)c(O)c1 ZINC000877076140 634973727 /nfs/dbraw/zinc/97/37/27/634973727.db2.gz MMXUSWYOQNPCEH-MRXNPFEDSA-N 1 0 287.407 3.311 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]C[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000877089447 634981147 /nfs/dbraw/zinc/98/11/47/634981147.db2.gz PZHAODOMERPATN-SZVBFZGTSA-N 1 0 279.383 3.376 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H](c2cccnc2)C2CC2)c(O)c1 ZINC000877124680 634992609 /nfs/dbraw/zinc/99/26/09/634992609.db2.gz ZBVZXVWJKCMVAS-QGZVFWFLSA-N 1 0 268.360 3.337 20 10 CGCDRO Cc1cnc([C@H](C)C[NH2+]Cc2c(C)cccc2O)s1 ZINC000877340652 635028923 /nfs/dbraw/zinc/02/89/23/635028923.db2.gz LKMIWOAYJQQEOR-LLVKDONJSA-N 1 0 276.405 3.359 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)[C@@H]1C[C@H]1C ZINC000840718566 635041305 /nfs/dbraw/zinc/04/13/05/635041305.db2.gz ZFQJTCMXYAONQV-BASYENTBSA-N 1 0 288.435 3.218 20 10 CGCDRO CCCN(CC1CC(OCC)C1)c1ccc(C[NH3+])cc1 ZINC000877478805 635052700 /nfs/dbraw/zinc/05/27/00/635052700.db2.gz PHTAIEPKCZAMAT-UHFFFAOYSA-N 1 0 276.424 3.177 20 10 CGCDRO Cc1ccc(C[N@@H+](C)Cc2cnccc2C)c(O)c1 ZINC000877492284 635059028 /nfs/dbraw/zinc/05/90/28/635059028.db2.gz UCNSKOHWJKNBCB-UHFFFAOYSA-N 1 0 256.349 3.036 20 10 CGCDRO Cc1cccc(O)c1C[NH+]1CCC(c2ccncc2)CC1 ZINC000877521719 635070362 /nfs/dbraw/zinc/07/03/62/635070362.db2.gz AZMGLRNLSRIGCY-UHFFFAOYSA-N 1 0 282.387 3.475 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1F)c1cc(F)ccc1O ZINC000840876997 635071393 /nfs/dbraw/zinc/07/13/93/635071393.db2.gz WGYGXZPUJKXEKR-ZWKOPEQDSA-N 1 0 255.308 3.463 20 10 CGCDRO CCn1cc[nH+]c1NCc1c(O)cc(C)cc1Cl ZINC000840887434 635075876 /nfs/dbraw/zinc/07/58/76/635075876.db2.gz IYZAMAJUYDUBAF-UHFFFAOYSA-N 1 0 265.744 3.183 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCO[C@@H](C)C2)c(Cl)c1 ZINC000840908746 635080193 /nfs/dbraw/zinc/08/01/93/635080193.db2.gz WKGANINXRAAMCO-NWDGAFQWSA-N 1 0 283.799 3.259 20 10 CGCDRO Cc1cc(O)c(C[N@H+](C)C[C@H]2CCCOC2)c(Cl)c1 ZINC000840914781 635081614 /nfs/dbraw/zinc/08/16/14/635081614.db2.gz YVDZLYKLSRNASV-GFCCVEGCSA-N 1 0 283.799 3.212 20 10 CGCDRO COC1(C[NH2+]Cc2c(O)cc(C)cc2Cl)CCC1 ZINC000840937184 635085448 /nfs/dbraw/zinc/08/54/48/635085448.db2.gz PJRDJNBVGPUKCM-UHFFFAOYSA-N 1 0 269.772 3.013 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@H+](C)Cc1cccnc1 ZINC000840938232 635085897 /nfs/dbraw/zinc/08/58/97/635085897.db2.gz ZUCYQCVUDSRNEA-UHFFFAOYSA-N 1 0 269.392 3.088 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H](C)c1nccs1 ZINC000840940372 635086844 /nfs/dbraw/zinc/08/68/44/635086844.db2.gz ZPROPXLSMJYJHS-CYBMUJFWSA-N 1 0 289.448 3.411 20 10 CGCDRO CO[C@]1(C)CCC[N@H+](Cc2ccc(N(C)C)cc2C)CC1 ZINC000840940795 635087461 /nfs/dbraw/zinc/08/74/61/635087461.db2.gz GAVNBAYQHBCIPI-GOSISDBHSA-N 1 0 290.451 3.452 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCC1(F)CCC1 ZINC000840945666 635089178 /nfs/dbraw/zinc/08/91/78/635089178.db2.gz UIZLEBQTFVVEFB-UHFFFAOYSA-N 1 0 264.388 3.433 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCCCC[C@@H]1CCO ZINC000840943510 635089704 /nfs/dbraw/zinc/08/97/04/635089704.db2.gz SWDONKWSESJVEJ-QGZVFWFLSA-N 1 0 290.451 3.188 20 10 CGCDRO COCC[C@H](C)C[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000840954708 635092197 /nfs/dbraw/zinc/09/21/97/635092197.db2.gz IQRTZEUVTHCVIW-JTQLQIEISA-N 1 0 271.788 3.116 20 10 CGCDRO CO[C@@](C)([C@H](C)[NH2+]Cc1cc(Cl)ccc1O)C1CC1 ZINC000840960998 635094169 /nfs/dbraw/zinc/09/41/69/635094169.db2.gz PHEOOOBOQZIEOU-BONVTDFDSA-N 1 0 283.799 3.339 20 10 CGCDRO Cc1ccc(C[NH2+][C@H]2COCc3ccccc32)c(O)c1 ZINC000877593825 635105755 /nfs/dbraw/zinc/10/57/55/635105755.db2.gz ZPLXYLDNSCUQOF-INIZCTEOSA-N 1 0 269.344 3.062 20 10 CGCDRO Cc1cccc(O)c1C[NH2+][C@H]1COCc2ccccc21 ZINC000877593777 635105876 /nfs/dbraw/zinc/10/58/76/635105876.db2.gz YFMHWODGXMOSAW-INIZCTEOSA-N 1 0 269.344 3.062 20 10 CGCDRO CN(CCC[NH3+])c1ccc(OCc2ccccc2)cc1 ZINC000841022681 635108184 /nfs/dbraw/zinc/10/81/84/635108184.db2.gz GNDIGFSNHDGQBB-UHFFFAOYSA-N 1 0 270.376 3.051 20 10 CGCDRO C[C@H](C[NH2+]CCc1ccc(N)cc1)c1ccccc1 ZINC000841034524 635109997 /nfs/dbraw/zinc/10/99/97/635109997.db2.gz HCTCSRRYZPXJIM-CQSZACIVSA-N 1 0 254.377 3.205 20 10 CGCDRO Nc1ccc(CC[NH2+]CCSCc2ccccc2)cc1 ZINC000841037926 635110997 /nfs/dbraw/zinc/11/09/97/635110997.db2.gz CZGYZCXWLOJXCL-UHFFFAOYSA-N 1 0 286.444 3.334 20 10 CGCDRO CC[C@H](Cc1ccccc1)[NH2+]CCc1ccc(N)cc1 ZINC000841036486 635111038 /nfs/dbraw/zinc/11/10/38/635111038.db2.gz SNBBEHVWCNZEOF-GOSISDBHSA-N 1 0 268.404 3.422 20 10 CGCDRO CN(C)c1ccc([C@@H](N)C[NH2+]C/C=C/c2ccccc2)cc1 ZINC000841043986 635113374 /nfs/dbraw/zinc/11/33/74/635113374.db2.gz SHDYJDTYBANKQZ-AIADIJKESA-N 1 0 295.430 3.055 20 10 CGCDRO CN(C)c1ccc([C@H](N)C[NH2+]CC2CCCCCC2)cc1 ZINC000841043865 635113390 /nfs/dbraw/zinc/11/33/90/635113390.db2.gz QUXPFCKGHFICDP-GOSISDBHSA-N 1 0 289.467 3.312 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]C[C@H]1CCC2(CCCC2)O1 ZINC000877620472 635116910 /nfs/dbraw/zinc/11/69/10/635116910.db2.gz IGBSBYQYTNTCAZ-CQSZACIVSA-N 1 0 275.392 3.282 20 10 CGCDRO Cc1cc(N)cc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)c1 ZINC000841070653 635117656 /nfs/dbraw/zinc/11/76/56/635117656.db2.gz FRWDOUBMZIHPBW-UHFFFAOYSA-N 1 0 287.382 3.072 20 10 CGCDRO Cc1ccc(C[NH2+]CC[C@@]2(C)CC2(F)F)c(O)c1 ZINC000877630080 635121535 /nfs/dbraw/zinc/12/15/35/635121535.db2.gz FHWSRWQAZPZTET-ZDUSSCGKSA-N 1 0 255.308 3.226 20 10 CGCDRO Cc1cccc(O)c1C[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC000877633868 635124536 /nfs/dbraw/zinc/12/45/36/635124536.db2.gz TWJZAAQTHUNCGV-SFHVURJKSA-N 1 0 289.419 3.482 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H]2CCO[C@H]2c2ccccc2)c(O)c1 ZINC000877661894 635136857 /nfs/dbraw/zinc/13/68/57/635136857.db2.gz IUULHNRFMZSXEI-AEFFLSMTSA-N 1 0 283.371 3.320 20 10 CGCDRO Cc1ccc(O)c(C[NH+]2CCC(CCF)CC2)c1 ZINC000877674612 635142763 /nfs/dbraw/zinc/14/27/63/635142763.db2.gz SWNLGBGTPKTSOO-UHFFFAOYSA-N 1 0 251.345 3.272 20 10 CGCDRO Cc1ncc([C@@H](C)[NH2+]Cc2ccc(C)cc2O)s1 ZINC000877685224 635145440 /nfs/dbraw/zinc/14/54/40/635145440.db2.gz QDGSEGABAXDGIC-SNVBAGLBSA-N 1 0 262.378 3.316 20 10 CGCDRO Cc1ncc([C@H](C)[NH2+]Cc2cc(F)ccc2O)s1 ZINC000877685380 635146255 /nfs/dbraw/zinc/14/62/55/635146255.db2.gz XACQTPUNHQKQBG-QMMMGPOBSA-N 1 0 266.341 3.147 20 10 CGCDRO COc1ccc(C[N@@H+]2Cc3cccc(O)c3C2)c(C)c1OC ZINC000877703193 635155096 /nfs/dbraw/zinc/15/50/96/635155096.db2.gz VOQZMLHGMAUSAD-UHFFFAOYSA-N 1 0 299.370 3.234 20 10 CGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2Cc3cccc(O)c3C2)cc1 ZINC000877703286 635155576 /nfs/dbraw/zinc/15/55/76/635155576.db2.gz ZZJHRQQVMANSTK-SNAWJCMRSA-N 1 0 294.398 3.487 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@H]2CCC23CCOCC3)c1O ZINC000877728921 635165136 /nfs/dbraw/zinc/16/51/36/635165136.db2.gz VNGXMRNDSBEJKJ-MRXNPFEDSA-N 1 0 289.419 3.251 20 10 CGCDRO COC(=O)C[C@@H]1CC[C@@H]([NH2+][C@H](C)c2ccccc2O)[C@@H]1C ZINC000877755445 635184094 /nfs/dbraw/zinc/18/40/94/635184094.db2.gz BMEGREYUNLGWEZ-GUIRCDHDSA-N 1 0 291.391 3.021 20 10 CGCDRO CCOc1ccc(C[NH2+][C@@H](C)c2ccccc2O)nc1 ZINC000877757354 635185664 /nfs/dbraw/zinc/18/56/64/635185664.db2.gz SKIYVJYIKOAIIX-LBPRGKRZSA-N 1 0 272.348 3.037 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H](C)c2ccccc2O)c1 ZINC000877756531 635185802 /nfs/dbraw/zinc/18/58/02/635185802.db2.gz PQQHYLPFWRBSFM-GFCCVEGCSA-N 1 0 257.333 3.257 20 10 CGCDRO CCOc1ccc(C[NH2+][C@H](C)c2ccccc2O)c(O)c1 ZINC000877756527 635186082 /nfs/dbraw/zinc/18/60/82/635186082.db2.gz PNAYGLSECBMTJG-GFCCVEGCSA-N 1 0 287.359 3.347 20 10 CGCDRO CCC(CC)[C@H](O)C[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841762917 635232958 /nfs/dbraw/zinc/23/29/58/635232958.db2.gz KJLPONHCXNIICM-MEBBXXQBSA-N 1 0 285.815 3.493 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@@H]1COC(C)(C)C1 ZINC000841887100 635246404 /nfs/dbraw/zinc/24/64/04/635246404.db2.gz FDZIKZBGNYROPR-ZBFHGGJFSA-N 1 0 290.451 3.149 20 10 CGCDRO CO[C@H]1C[C@@H](C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)C1 ZINC000877976015 635302540 /nfs/dbraw/zinc/30/25/40/635302540.db2.gz FITGNTLWEVAJNX-MAEOIBBWSA-N 1 0 290.451 3.388 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(C)CC3)cc2)CO1 ZINC000842677440 635437906 /nfs/dbraw/zinc/43/79/06/635437906.db2.gz QAOHRYGRWRKZHL-NVXWUHKLSA-N 1 0 288.435 3.190 20 10 CGCDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(C)CC3)cc2)CO1 ZINC000842677439 635437979 /nfs/dbraw/zinc/43/79/79/635437979.db2.gz QAOHRYGRWRKZHL-DOTOQJQBSA-N 1 0 288.435 3.190 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCc3ccsc3C2)cc1 ZINC000127040455 635448204 /nfs/dbraw/zinc/44/82/04/635448204.db2.gz CZAYHRDFUHKDFU-UHFFFAOYSA-N 1 0 272.417 3.372 20 10 CGCDRO COc1cccc(C[NH2+]CC2CCC(F)CC2)c1O ZINC000842774640 635468511 /nfs/dbraw/zinc/46/85/11/635468511.db2.gz JPCGDTZUEHZKRS-UHFFFAOYSA-N 1 0 267.344 3.019 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCC3(CCC3)O2)c1 ZINC000878360975 635473983 /nfs/dbraw/zinc/47/39/83/635473983.db2.gz USCAHEMUWARSKU-OCCSQVGLSA-N 1 0 291.391 3.153 20 10 CGCDRO CC[C@H](C)C[C@@H](CO)[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000842920924 635512073 /nfs/dbraw/zinc/51/20/73/635512073.db2.gz ZYDGGTVOVXQKRR-LOWVWBTDSA-N 1 0 285.815 3.493 20 10 CGCDRO CC[C@H](C)C[C@@H](CO)[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000843426829 635671378 /nfs/dbraw/zinc/67/13/78/635671378.db2.gz BQBMLDCAZMIGEM-HZMBPMFUSA-N 1 0 285.815 3.241 20 10 CGCDRO Cc1cccc(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)C2)c1O ZINC000843428692 635672563 /nfs/dbraw/zinc/67/25/63/635672563.db2.gz MFZRPRCNJWEFAP-OKILXGFUSA-N 1 0 263.381 3.136 20 10 CGCDRO C[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1F)c1ccccc1O ZINC000879649819 635826555 /nfs/dbraw/zinc/82/65/55/635826555.db2.gz VTRVLTWZSKVYED-HWPZZCPQSA-N 1 0 293.313 3.055 20 10 CGCDRO C[C@H]([NH2+]CCc1nc2ccccc2n1C)c1ccccc1O ZINC000879650635 635826675 /nfs/dbraw/zinc/82/66/75/635826675.db2.gz KWELNRRYSTVHIE-ZDUSSCGKSA-N 1 0 295.386 3.172 20 10 CGCDRO C[C@H]([NH2+]Cc1scnc1Cl)c1ccccc1O ZINC000879650090 635826843 /nfs/dbraw/zinc/82/68/43/635826843.db2.gz IBSAZOOTQQYXOK-QMMMGPOBSA-N 1 0 268.769 3.353 20 10 CGCDRO C[C@@H]([NH2+]Cc1scnc1Cl)c1ccccc1O ZINC000879650089 635826927 /nfs/dbraw/zinc/82/69/27/635826927.db2.gz IBSAZOOTQQYXOK-MRVPVSSYSA-N 1 0 268.769 3.353 20 10 CGCDRO COc1ccc(N(C)CC[N@H+](C)CCC(F)(F)F)cc1 ZINC000844401765 635891317 /nfs/dbraw/zinc/89/13/17/635891317.db2.gz QDUMXTNGVUGKQL-UHFFFAOYSA-N 1 0 290.329 3.016 20 10 CGCDRO Cc1cc(C[N@@H+](C)[C@@H](C)CCO)ccc1N1CCCCC1 ZINC000844450739 635906604 /nfs/dbraw/zinc/90/66/04/635906604.db2.gz PYGTYDUXCURNAG-INIZCTEOSA-N 1 0 290.451 3.188 20 10 CGCDRO COc1cc(C[N@@H+]2CCC[C@]3(CC3(F)F)C2)c(O)cc1C ZINC000844750349 635958971 /nfs/dbraw/zinc/95/89/71/635958971.db2.gz KPHWYBRVYHUBIK-HNNXBMFYSA-N 1 0 297.345 3.330 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CNc3ccccc3C2)cc1C ZINC000844904901 635981335 /nfs/dbraw/zinc/98/13/35/635981335.db2.gz FAYRGYWYSNRAJK-INIZCTEOSA-N 1 0 282.387 3.135 20 10 CGCDRO CC[C@@H]([NH2+][C@H]1CNc2ccccc2C1)c1ccccc1O ZINC000844921843 635984143 /nfs/dbraw/zinc/98/41/43/635984143.db2.gz VMMCYBDFDXIVHT-GDBMZVCRSA-N 1 0 282.387 3.470 20 10 CGCDRO CC[C@@H]1C[C@H](C[NH2+][C@@H](C)c2cc(OC)ccc2O)CCO1 ZINC000845971944 636125599 /nfs/dbraw/zinc/12/55/99/636125599.db2.gz OGQMBEMCBWFVSU-BFHYXJOUSA-N 1 0 293.407 3.257 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC23CCCC3)cc1F ZINC000846000382 636128528 /nfs/dbraw/zinc/12/85/28/636128528.db2.gz QITYMGWZTPKULG-UHFFFAOYSA-N 1 0 262.372 3.410 20 10 CGCDRO Cc1cccc(C[NH2+]CC[C@@]2(C)C[C@]2(F)Cl)c1O ZINC000846041460 636136625 /nfs/dbraw/zinc/13/66/25/636136625.db2.gz XXSBCPKHCZHYPA-UONOGXRCSA-N 1 0 271.763 3.495 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]Cc2ccoc2C)c1O ZINC000846142181 636149090 /nfs/dbraw/zinc/14/90/90/636149090.db2.gz QPYYBSPLHYZQJP-JTQLQIEISA-N 1 0 261.321 3.153 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2[C@@H](C)[C@H](OC)C2(C)C)c1O ZINC000846159435 636150462 /nfs/dbraw/zinc/15/04/62/636150462.db2.gz OKMVEEPHALUCDJ-CJTUPEFNSA-N 1 0 293.407 3.111 20 10 CGCDRO COCCC(C)(C)C[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846161960 636151247 /nfs/dbraw/zinc/15/12/47/636151247.db2.gz DCMSIGIERSKGMH-LBPRGKRZSA-N 1 0 281.396 3.114 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@H]2CCOC(C)(C)C2)c1O ZINC000846168039 636152161 /nfs/dbraw/zinc/15/21/61/636152161.db2.gz GEQFGLJXMHEAQX-STQMWFEESA-N 1 0 293.407 3.257 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]CCCC2CCOCC2)c1O ZINC000846169271 636152742 /nfs/dbraw/zinc/15/27/42/636152742.db2.gz GJGMNJYIROMLFN-CYBMUJFWSA-N 1 0 293.407 3.258 20 10 CGCDRO C[C@H](COCC1CC1)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000846206115 636158747 /nfs/dbraw/zinc/15/87/47/636158747.db2.gz VNVSDCDNSRRRQV-KGLIPLIRSA-N 1 0 276.424 3.218 20 10 CGCDRO CCC[N@H+](Cc1ccc2nonc2c1)Cc1ccccc1O ZINC000846809099 636247257 /nfs/dbraw/zinc/24/72/57/636247257.db2.gz MMCGTJOOBHLNTJ-UHFFFAOYSA-N 1 0 297.358 3.341 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H](CCO)C2CCCCC2)cc1 ZINC000129513704 636289709 /nfs/dbraw/zinc/28/97/09/636289709.db2.gz LUVPSWPMHZCANO-SFHVURJKSA-N 1 0 290.451 3.174 20 10 CGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H]2CCC2(C)C)c1O ZINC000846959448 636294275 /nfs/dbraw/zinc/29/42/75/636294275.db2.gz IPVGGZLXXQDFGQ-CYBMUJFWSA-N 1 0 265.328 3.012 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H](C)N(C)C1CC1)c1ccc(N(C)C)cc1 ZINC000130973845 636539329 /nfs/dbraw/zinc/53/93/29/636539329.db2.gz VZPROSZOLFXLRD-KBXCAEBGSA-N 1 0 289.467 3.276 20 10 CGCDRO Cc1ncncc1[C@@H](C)[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000848525959 636589458 /nfs/dbraw/zinc/58/94/58/636589458.db2.gz SRJDCMVUFOPCIK-CYBMUJFWSA-N 1 0 296.418 3.018 20 10 CGCDRO c1cc(C[NH2+][C@H](C2CC2)[C@@H]2CCCCO2)cc2c1OCC2 ZINC000848559159 636605969 /nfs/dbraw/zinc/60/59/69/636605969.db2.gz BBYNQVRKBMZVBQ-ZWKOTPCHSA-N 1 0 287.403 3.059 20 10 CGCDRO COCC1(C[NH2+][C@@H](C)c2cc(Cl)ccc2O)CC1 ZINC000848561495 636606589 /nfs/dbraw/zinc/60/65/89/636606589.db2.gz XIVUFYMIWQIBOI-JTQLQIEISA-N 1 0 269.772 3.123 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+][C@H]2C[C@H](OC(C)(C)C)C2)c1O ZINC000848566393 636609534 /nfs/dbraw/zinc/60/95/34/636609534.db2.gz WXUQVYKAIMZEFZ-JHJVBQTASA-N 1 0 293.407 3.398 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCN3CCCC[C@@H]23)c1 ZINC000848568352 636610764 /nfs/dbraw/zinc/61/07/64/636610764.db2.gz GJMGPBPJXOVXIR-UAGQMJEPSA-N 1 0 288.435 3.368 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]CC2(C)CC(F)(F)C2)c1O ZINC000883257137 636626920 /nfs/dbraw/zinc/62/69/20/636626920.db2.gz SIIQVKXBSZJIQW-SNVBAGLBSA-N 1 0 285.334 3.487 20 10 CGCDRO Oc1ccccc1C[NH2+]CC[C@H]1CCCC1(F)F ZINC000883266735 636638323 /nfs/dbraw/zinc/63/83/23/636638323.db2.gz IBVLPWNRCIOUDT-GFCCVEGCSA-N 1 0 255.308 3.307 20 10 CGCDRO CC[C@H]1CO[C@H](C)CN1Cc1c(O)cccc1Cl ZINC000131501303 636670698 /nfs/dbraw/zinc/67/06/98/636670698.db2.gz JNBRIRGVTBBWHP-MNOVXSKESA-N 1 0 269.772 3.045 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCSC(C)(C)C2)c1O ZINC000848886284 636675151 /nfs/dbraw/zinc/67/51/51/636675151.db2.gz DDKZHUONVIJCCO-UHFFFAOYSA-N 1 0 265.422 3.282 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)c1O ZINC000848888452 636676554 /nfs/dbraw/zinc/67/65/54/636676554.db2.gz BGEIJYFOAQASIW-RDJZCZTQSA-N 1 0 289.419 3.203 20 10 CGCDRO CCc1cccc(C[N@H+](CC)CCc2nccs2)c1O ZINC000848889354 636676634 /nfs/dbraw/zinc/67/66/34/636676634.db2.gz IUWBGNUSANQQCD-UHFFFAOYSA-N 1 0 290.432 3.476 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H]2CCOC3(CCC3)C2)c1O ZINC000848899215 636680680 /nfs/dbraw/zinc/68/06/80/636680680.db2.gz LBBUZVHTNYBKQV-OAHLLOKOSA-N 1 0 275.392 3.146 20 10 CGCDRO CCc1cccc(C[NH2+]Cc2ccc(C(=O)OC)cc2)c1O ZINC000848910266 636686005 /nfs/dbraw/zinc/68/60/05/636686005.db2.gz HJWUQPBPXDIZOS-UHFFFAOYSA-N 1 0 299.370 3.031 20 10 CGCDRO CCc1cccc(C[N@@H+]2C[C@H](N3CCCC3)C[C@H]2C)c1O ZINC000848909880 636686219 /nfs/dbraw/zinc/68/62/19/636686219.db2.gz BYVOYNBBQOJHJA-RHSMWYFYSA-N 1 0 288.435 3.013 20 10 CGCDRO CCCc1nc(C)c(C[NH2+]Cc2cccc(CC)c2O)o1 ZINC000848913077 636687712 /nfs/dbraw/zinc/68/77/12/636687712.db2.gz NSFOCKJLELTFMS-UHFFFAOYSA-N 1 0 288.391 3.493 20 10 CGCDRO CCC[N@H+](Cc1ccc(N2CCOCC2)cc1)C(C)C ZINC000848923121 636694257 /nfs/dbraw/zinc/69/42/57/636694257.db2.gz GQIDBGBUFSOHNN-UHFFFAOYSA-N 1 0 276.424 3.144 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@@H](C)C(=O)OC(C)(C)C)c1O ZINC000848925647 636697719 /nfs/dbraw/zinc/69/77/19/636697719.db2.gz AUBQGYUSKCZPIS-GFCCVEGCSA-N 1 0 293.407 3.022 20 10 CGCDRO CCN(CC)c1ccc(CNC(=[NH2+])NCCC(C)C)cc1 ZINC000849071354 636737060 /nfs/dbraw/zinc/73/70/60/636737060.db2.gz KTHQCKCDMODHBJ-UHFFFAOYSA-N 1 0 290.455 3.193 20 10 CGCDRO COc1ccc(N2CC[NH+]([C@H]3C=CCCC3)CC2)cc1F ZINC000084866461 636768058 /nfs/dbraw/zinc/76/80/58/636768058.db2.gz XAMGYIBZXJZWPA-AWEZNQCLSA-N 1 0 290.382 3.065 20 10 CGCDRO CC[C@@H]([NH2+]CCCSc1nccs1)C1CC1 ZINC000132300876 636800021 /nfs/dbraw/zinc/80/00/21/636800021.db2.gz IDDLCQDJYZJZAC-LLVKDONJSA-N 1 0 256.440 3.404 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C[C@@]2(C)CCCS2)cc1F ZINC000133500239 636905825 /nfs/dbraw/zinc/90/58/25/636905825.db2.gz OXWIPXQRVIFSLO-OAHLLOKOSA-N 1 0 282.428 3.267 20 10 CGCDRO COc1cc(C[NH2+]CC2CC2)c(O)c(C(C)(C)C)c1 ZINC000850024958 636928315 /nfs/dbraw/zinc/92/83/15/636928315.db2.gz IGIMAULSIOMSIN-UHFFFAOYSA-N 1 0 263.381 3.198 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H](C)c2cscn2)cc1C ZINC000850359916 637027941 /nfs/dbraw/zinc/02/79/41/637027941.db2.gz WCQBTIMJVMTLGF-LLVKDONJSA-N 1 0 262.378 3.316 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000850377536 637038209 /nfs/dbraw/zinc/03/82/09/637038209.db2.gz FWRRAGYJKYPDTN-WWGRRREGSA-N 1 0 275.392 3.317 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCN(C3CCCCC3)C2)c1 ZINC000850381394 637040283 /nfs/dbraw/zinc/04/02/83/637040283.db2.gz DCKKVABTAPRMAH-MRXNPFEDSA-N 1 0 288.435 3.197 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+]CC2=CCCC2)cc1 ZINC000850395194 637046957 /nfs/dbraw/zinc/04/69/57/637046957.db2.gz FFACABLIQFMYBR-VMPITWQZSA-N 1 0 256.393 3.466 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@H](O)[C@H](C)c2ccccc2)cc1C ZINC000850412272 637053086 /nfs/dbraw/zinc/05/30/86/637053086.db2.gz VMCAIHKQMMVEGK-BEFAXECRSA-N 1 0 299.414 3.263 20 10 CGCDRO C[C@H](CSCCF)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000850422797 637056022 /nfs/dbraw/zinc/05/60/22/637056022.db2.gz CVVZTLVGPZKHOV-CQSZACIVSA-N 1 0 296.455 3.468 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2COC(C)(C)C2)c(O)c1 ZINC000850482333 637086079 /nfs/dbraw/zinc/08/60/79/637086079.db2.gz OIICTXKQNDIMGF-STQMWFEESA-N 1 0 263.381 3.227 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)CCC3CC3)C2)cc1 ZINC000850488434 637087997 /nfs/dbraw/zinc/08/79/97/637087997.db2.gz MRWCCOZXDKVJOW-HOCLYGCPSA-N 1 0 288.435 3.442 20 10 CGCDRO CCCC[C@@H](C)[NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850489398 637088559 /nfs/dbraw/zinc/08/85/59/637088559.db2.gz SXUCOZRSPDGUNF-HUUCEWRRSA-N 1 0 276.424 3.442 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CCC(C)(C)C3)C2)cc1 ZINC000850489081 637088841 /nfs/dbraw/zinc/08/88/41/637088841.db2.gz QJFICOCXIVIKHS-CABCVRRESA-N 1 0 288.435 3.442 20 10 CGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)C3CCCC3)C2)cc1 ZINC000850488630 637089049 /nfs/dbraw/zinc/08/90/49/637089049.db2.gz OCTOKRHPSRBXKH-GOEBONIOSA-N 1 0 288.435 3.442 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@H]2C[C@@H](O)c3ccccc32)c1O ZINC000850526306 637105540 /nfs/dbraw/zinc/10/55/40/637105540.db2.gz PENHAFJHASPHIW-KNXALSJPSA-N 1 0 299.370 3.230 20 10 CGCDRO C[C@H]([NH2+][C@H]1C[C@H](O)c2ccccc21)c1cc(F)ccc1O ZINC000850528862 637107596 /nfs/dbraw/zinc/10/75/96/637107596.db2.gz NQIAFDKMVMBEFW-QXKQMHMISA-N 1 0 287.334 3.360 20 10 CGCDRO Oc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3cccc(O)c31)CC2 ZINC000850542666 637114960 /nfs/dbraw/zinc/11/49/60/637114960.db2.gz SYIDYFNDQQRTSO-HZPDHXFCSA-N 1 0 281.355 3.362 20 10 CGCDRO Oc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3cccc(O)c31)CC2 ZINC000850542665 637115118 /nfs/dbraw/zinc/11/51/18/637115118.db2.gz SYIDYFNDQQRTSO-HOTGVXAUSA-N 1 0 281.355 3.362 20 10 CGCDRO CC[C@H]([NH2+]C[C@H](CO)CC1CC1)c1cc(Cl)ccc1O ZINC000850543937 637115904 /nfs/dbraw/zinc/11/59/04/637115904.db2.gz BAUUFTCKQNLIPW-DOMZBBRYSA-N 1 0 297.826 3.495 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CC2CCC(O)CC2)cc1 ZINC000850553923 637119452 /nfs/dbraw/zinc/11/94/52/637119452.db2.gz DXSYKAHKNDEBGJ-KSTDHSDQSA-N 1 0 290.451 3.344 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+][C@H](C(C)C)C2CC2)c1O ZINC000850556879 637121909 /nfs/dbraw/zinc/12/19/09/637121909.db2.gz MJOYLQRZEPLIGL-IAQYHMDHSA-N 1 0 263.381 3.486 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]CC2SCCS2)c2c1c(F)ccc2O ZINC000850560610 637124805 /nfs/dbraw/zinc/12/48/05/637124805.db2.gz MINGHFSBSPSBHM-PSASIEDQSA-N 1 0 299.436 3.475 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)c2nccn2C)c1O ZINC000850573201 637130001 /nfs/dbraw/zinc/13/00/01/637130001.db2.gz WLXHDGGHXJZQSC-QWRGUYRKSA-N 1 0 293.798 3.499 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CC[C@H](C(C)C)C2)c1O ZINC000135648744 637150561 /nfs/dbraw/zinc/15/05/61/637150561.db2.gz BUBDISLNIBXAKG-ZDUSSCGKSA-N 1 0 263.381 3.269 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1CC[C@H](C2CC2)O1)c1ccc(N(C)C)cc1 ZINC000886142773 637433321 /nfs/dbraw/zinc/43/33/21/637433321.db2.gz KSFAVXXSASAXPB-DOPJRALCSA-N 1 0 288.435 3.361 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCC[C@H](OC)CC2)c1 ZINC000886153653 637438426 /nfs/dbraw/zinc/43/84/26/637438426.db2.gz MMVWLFWVJRLSKX-IHRRRGAJSA-N 1 0 293.407 3.399 20 10 CGCDRO CCC[N@H+](Cc1ccccc1O)[C@@H]1CC[C@H](OC)C1 ZINC000851792981 637504950 /nfs/dbraw/zinc/50/49/50/637504950.db2.gz VUIGTHLCOAMFET-CABCVRRESA-N 1 0 263.381 3.172 20 10 CGCDRO CO[C@H](C[N@H+](C)Cc1ccccc1O)C1CCCCC1 ZINC000851841297 637519133 /nfs/dbraw/zinc/51/91/33/637519133.db2.gz OPOYNCGQBMDAGF-QGZVFWFLSA-N 1 0 277.408 3.419 20 10 CGCDRO c1cc(N2CCOCC2)ccc1C[NH2+]C1CCC=CCC1 ZINC000886376627 637520049 /nfs/dbraw/zinc/52/00/49/637520049.db2.gz LHVAPUSUOABAEA-UHFFFAOYSA-N 1 0 286.419 3.112 20 10 CGCDRO C[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1c([O-])cccc1F ZINC000886498907 637543986 /nfs/dbraw/zinc/54/39/86/637543986.db2.gz UPVFFRUWXFGNJU-BMIGLBTASA-N 1 0 293.313 3.055 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]Cc1cc(C3CC3)no1)CC2 ZINC000886685014 637650155 /nfs/dbraw/zinc/65/01/55/637650155.db2.gz YLHBSEAJIWZVIG-CYBMUJFWSA-N 1 0 270.332 3.035 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CC3(CCC3)CO2)c1 ZINC000886701979 637664405 /nfs/dbraw/zinc/66/44/05/637664405.db2.gz YHWRGJYZTIVJEW-KGLIPLIRSA-N 1 0 275.392 3.310 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H]2CC3(CCC3)CO2)c1O ZINC000886702815 637664992 /nfs/dbraw/zinc/66/49/92/637664992.db2.gz DHSYRSSQXWJZHM-OLZOCXBDSA-N 1 0 291.391 3.011 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]CC[C@@H]2CC(C)(C)CO2)c1O ZINC000886717512 637669106 /nfs/dbraw/zinc/66/91/06/637669106.db2.gz BLKQAHQAZJHYHV-CHWSQXEVSA-N 1 0 293.407 3.257 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccnn1CC)c1ccc(C)cc1O ZINC000853239870 637791649 /nfs/dbraw/zinc/79/16/49/637791649.db2.gz JRVNULWFDGDXMU-OAHLLOKOSA-N 1 0 273.380 3.158 20 10 CGCDRO CO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(C)cc2O)C1(C)C ZINC000300418941 637838083 /nfs/dbraw/zinc/83/80/83/637838083.db2.gz IMCSYSVDZIBPKS-BYCMXARLSA-N 1 0 263.381 3.165 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H]3COC[C@H]3C2)cc1C(C)C ZINC000853585612 637870528 /nfs/dbraw/zinc/87/05/28/637870528.db2.gz HSFKYWRXAKVSOE-GDBMZVCRSA-N 1 0 289.419 3.292 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@H](C)C(C)(C)C)c1 ZINC000112375585 638075409 /nfs/dbraw/zinc/07/54/09/638075409.db2.gz GOYZFDFEUUSFBL-LLVKDONJSA-N 1 0 251.370 3.315 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(C)c(F)c2)c1 ZINC000113316511 638185195 /nfs/dbraw/zinc/18/51/95/638185195.db2.gz PNBYCKONLXTJCN-UHFFFAOYSA-N 1 0 259.324 3.438 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]C[C@@H]2CCN(c3ccccc3)C2)c1 ZINC000113320992 638200055 /nfs/dbraw/zinc/20/00/55/638200055.db2.gz LRMFEIKNCMXSBI-INIZCTEOSA-N 1 0 296.414 3.317 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2ccnnc2)cc1 ZINC000924710560 638392268 /nfs/dbraw/zinc/39/22/68/638392268.db2.gz LXKCOSXCTFLQRA-AWEZNQCLSA-N 1 0 284.407 3.174 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)c2cn(C)cn2)cc1 ZINC000924711968 638393764 /nfs/dbraw/zinc/39/37/64/638393764.db2.gz ZGQZPPCHHQVEAL-CQSZACIVSA-N 1 0 286.423 3.117 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]CC[C@@H]2CC2(Cl)Cl)c1 ZINC000856806207 638393909 /nfs/dbraw/zinc/39/39/09/638393909.db2.gz BWXIIGAVDVPXRN-LLVKDONJSA-N 1 0 274.191 3.374 20 10 CGCDRO COc1cccc(O)c1C[NH2+]C[C@H]1CCCC12CC2 ZINC000858332247 638684309 /nfs/dbraw/zinc/68/43/09/638684309.db2.gz GZUPHXNGRNKDSG-GFCCVEGCSA-N 1 0 261.365 3.071 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccc(Cl)cc1[O-] ZINC000858491661 638743141 /nfs/dbraw/zinc/74/31/41/638743141.db2.gz MTIKUDJLTKDUFD-QWHCGFSZSA-N 1 0 296.842 3.428 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+][C@H]2CO[C@@H](C3CC3)C2)c2c1c(F)ccc2O ZINC000858547719 638759573 /nfs/dbraw/zinc/75/95/73/638759573.db2.gz NWACVKPZMGDBNW-ZOUAZZMLSA-N 1 0 291.366 3.237 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CO[C@H](C2CC2)C1)c1ccc(C)cc1O ZINC000858547359 638759595 /nfs/dbraw/zinc/75/95/95/638759595.db2.gz KOZKSRUTXYLHNX-KMFMINBZSA-N 1 0 275.392 3.309 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc3c2OCC3)c(O)c1 ZINC000927090103 638840076 /nfs/dbraw/zinc/84/00/76/638840076.db2.gz IFZHVQSUQRESIY-ZDUSSCGKSA-N 1 0 283.371 3.486 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2cc(C3CC3)n(C)n2)c1 ZINC000927108021 638843134 /nfs/dbraw/zinc/84/31/34/638843134.db2.gz JTSBSQMCEXFZCD-LBPRGKRZSA-N 1 0 285.391 3.162 20 10 CGCDRO CCC(O)(CC)C[N@H+](C)Cc1ccc(N(C)C)c(C)c1 ZINC000860067504 639277968 /nfs/dbraw/zinc/27/79/68/639277968.db2.gz LAIUWQPNKLDIJS-UHFFFAOYSA-N 1 0 278.440 3.044 20 10 CGCDRO Cc1cc(C[NH2+][C@H](C)Cc2cccnc2)ccc1N(C)C ZINC000934229606 639564113 /nfs/dbraw/zinc/56/41/13/639564113.db2.gz JLTZVCLTBLUDOR-OAHLLOKOSA-N 1 0 283.419 3.177 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2CCS[C@H](C)[C@@H]2C)cc1C ZINC000118382119 639599360 /nfs/dbraw/zinc/59/93/60/639599360.db2.gz VKFSDYAAPXYQAJ-QWHCGFSZSA-N 1 0 265.422 3.335 20 10 CGCDRO C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1cc2c(cc1O)CCC2 ZINC000118381778 639599667 /nfs/dbraw/zinc/59/96/67/639599667.db2.gz JYSJMPTVKGCDED-NEPJUHHUSA-N 1 0 277.433 3.207 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@H](c2ccncc2)C2CC2)cc1 ZINC000934696509 639659685 /nfs/dbraw/zinc/65/96/85/639659685.db2.gz GQGDBQULEMYUKS-SFHVURJKSA-N 1 0 281.403 3.389 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H](CO)CC(C)C)cc1 ZINC000040774848 639896224 /nfs/dbraw/zinc/89/62/24/639896224.db2.gz AQOQHSQTFOYATQ-INIZCTEOSA-N 1 0 278.440 3.029 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCN2CCC(C)CC2)c(O)c1 ZINC000040771641 639896355 /nfs/dbraw/zinc/89/63/55/639896355.db2.gz DKPDBMOAMDXJSS-HNNXBMFYSA-N 1 0 276.424 3.083 20 10 CGCDRO COc1ccc(C[NH2+][C@H](C)c2cncs2)cc1C ZINC000155399298 639934282 /nfs/dbraw/zinc/93/42/82/639934282.db2.gz ILYPBGKOYSRXKR-LLVKDONJSA-N 1 0 262.378 3.311 20 10 CGCDRO CC[C@H]([NH2+]CCc1ccc(C)nc1)c1ccccc1O ZINC000155783642 639950036 /nfs/dbraw/zinc/95/00/36/639950036.db2.gz YHLACEUOGGBMBZ-INIZCTEOSA-N 1 0 270.376 3.379 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1CCC(C)(C)O1)c1cc(F)ccc1O ZINC000187853040 640101877 /nfs/dbraw/zinc/10/18/77/640101877.db2.gz WZOXFWDHUDYZCA-JQWIXIFHSA-N 1 0 267.344 3.140 20 10 CGCDRO COc1cnccc1[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000188776681 640152262 /nfs/dbraw/zinc/15/22/62/640152262.db2.gz NKYHRPOQFCNEEA-QWRGUYRKSA-N 1 0 290.338 3.347 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)[C@@H](C)OC)cc1 ZINC000189118204 640167883 /nfs/dbraw/zinc/16/78/83/640167883.db2.gz RCLQOZBXAFESPL-UONOGXRCSA-N 1 0 264.413 3.046 20 10 CGCDRO Cc1cccc(C[C@H](CO)[NH2+][C@@H](C)c2cc(C)ccc2O)c1 ZINC000191605638 640322778 /nfs/dbraw/zinc/32/27/78/640322778.db2.gz UCYTYJDNGUIUBM-DOTOQJQBSA-N 1 0 299.414 3.263 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](C)C(C)C)c1 ZINC000081046372 640515482 /nfs/dbraw/zinc/51/54/82/640515482.db2.gz LAOMYHZQAVELTJ-VXGBXAGGSA-N 1 0 251.370 3.344 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000083551688 640597079 /nfs/dbraw/zinc/59/70/79/640597079.db2.gz ZSXFKCNYUIJRRC-LBPRGKRZSA-N 1 0 289.762 3.139 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CCCCC[C@H]2C)c(O)c1 ZINC000088507705 640619132 /nfs/dbraw/zinc/61/91/32/640619132.db2.gz PBEFIBVBSRXJGZ-IUODEOHRSA-N 1 0 263.381 3.459 20 10 CGCDRO C[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)[C@H]1C ZINC000245570098 640627572 /nfs/dbraw/zinc/62/75/72/640627572.db2.gz WSJNCBGLFGYHOY-CVEARBPZSA-N 1 0 288.435 3.144 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1O)c1ccc(N2CCCCC2)cc1 ZINC000246407624 640673933 /nfs/dbraw/zinc/67/39/33/640673933.db2.gz MDWSYVHKESQMRT-BMGDILEWSA-N 1 0 288.435 3.241 20 10 CGCDRO C[C@H]1C[NH+](Cc2ccc(N(C)C)cc2)C[C@H](C)S1 ZINC000092540180 640738700 /nfs/dbraw/zinc/73/87/00/640738700.db2.gz XIWXGXWGVQLVTM-STQMWFEESA-N 1 0 264.438 3.078 20 10 CGCDRO CCOc1cccc(C[NH+]2C[C@H](C)S[C@@H](C)C2)c1O ZINC000092540704 640739463 /nfs/dbraw/zinc/73/94/63/640739463.db2.gz GEDNQJNFILWEHG-RYUDHWBXSA-N 1 0 281.421 3.117 20 10 CGCDRO C[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)[C@@H]1C ZINC000092737248 640743961 /nfs/dbraw/zinc/74/39/61/640743961.db2.gz WSJNCBGLFGYHOY-HZPDHXFCSA-N 1 0 288.435 3.144 20 10 CGCDRO COc1cccc(C[N@@H+]2CC[C@@H](CC(C)C)C2)c1O ZINC000093338539 640768288 /nfs/dbraw/zinc/76/82/88/640768288.db2.gz HFSUVXIJDHMWEG-ZDUSSCGKSA-N 1 0 263.381 3.269 20 10 CGCDRO COc1cccc(C[NH+]2CCC(C(C)C)CC2)c1O ZINC000093670097 640778937 /nfs/dbraw/zinc/77/89/37/640778937.db2.gz CJRGEFBEIPBXDE-UHFFFAOYSA-N 1 0 263.381 3.269 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccsc1)c1cc(F)ccc1O ZINC000094618178 640800439 /nfs/dbraw/zinc/80/04/39/640800439.db2.gz BGRIMNWJXMCJRC-SECBINFHSA-N 1 0 251.326 3.444 20 10 CGCDRO CC[C@@H]([NH2+]CC1(O)CCCC1)c1ccc(N(C)C)cc1 ZINC000305160468 640884153 /nfs/dbraw/zinc/88/41/53/640884153.db2.gz WXFOQZYFVIDCIY-MRXNPFEDSA-N 1 0 276.424 3.098 20 10 CGCDRO Cc1cc(C)c(C[NH2+]C[C@](C)(O)c2ccccc2)c(O)c1 ZINC001253122904 806177228 /nfs/dbraw/zinc/17/72/28/806177228.db2.gz VBROUCRCEJHINM-SFHVURJKSA-N 1 0 285.387 3.006 20 10 CGCDRO Cc1cc2[nH]ccc2c(NCc2ccc(N)cc2)[nH+]1 ZINC001162785873 806665824 /nfs/dbraw/zinc/66/58/24/806665824.db2.gz MTTYJDVPZVZDIE-UHFFFAOYSA-N 1 0 252.321 3.066 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)[C@H]2CCOC(C)(C)C2)cc1 ZINC001255553606 806672580 /nfs/dbraw/zinc/67/25/80/806672580.db2.gz MZGJHSRAPVQORX-INIZCTEOSA-N 1 0 276.424 3.142 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@H](C)Cc2cccs2)c1 ZINC000036992502 798854397 /nfs/dbraw/zinc/85/43/97/798854397.db2.gz PVIGECDNKAPKHD-LLVKDONJSA-N 1 0 277.389 3.183 20 10 CGCDRO COc1cccc(C[NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)c1O ZINC000037021684 798854777 /nfs/dbraw/zinc/85/47/77/798854777.db2.gz NWIMHWLCENVZKM-YRGRVCCFSA-N 1 0 263.381 3.315 20 10 CGCDRO C[C@H](C[NH2+]Cc1cc(Cl)ccc1O)N1CCCCC1 ZINC000038028583 798884448 /nfs/dbraw/zinc/88/44/48/798884448.db2.gz VESHOOSABPUKJD-GFCCVEGCSA-N 1 0 282.815 3.010 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CCc3sccc3C2)c1 ZINC000138549479 799039634 /nfs/dbraw/zinc/03/96/34/799039634.db2.gz NWVVVCUDMGQYTL-UHFFFAOYSA-N 1 0 275.373 3.021 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CCOC[C@H]1C ZINC000312220758 799226883 /nfs/dbraw/zinc/22/68/83/799226883.db2.gz BZNFFTXOGHINKT-MQYQWHSLSA-N 1 0 275.392 3.264 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2nc3ccccc3[nH]2)c1 ZINC000315243765 799235359 /nfs/dbraw/zinc/23/53/59/799235359.db2.gz USPFSXIJZXWGKK-LLVKDONJSA-N 1 0 297.358 3.128 20 10 CGCDRO CC(C)(CC[NH2+]Cc1cc2c(cc1O)OCO2)C1CC1 ZINC000328572857 799252723 /nfs/dbraw/zinc/25/27/23/799252723.db2.gz VBXQQJXHRYZULC-UHFFFAOYSA-N 1 0 277.364 3.037 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)c1ccc2ccccc2c1O)[C@@H](C)O ZINC000386713552 799439137 /nfs/dbraw/zinc/43/91/37/799439137.db2.gz QCCUKVLTPMUJDV-OZVIIMIRSA-N 1 0 273.376 3.355 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+][C@@H]1CC12CCCC2 ZINC000386864355 799441131 /nfs/dbraw/zinc/44/11/31/799441131.db2.gz CNGFBHRZJUTEHA-CYBMUJFWSA-N 1 0 251.757 3.468 20 10 CGCDRO Cc1ccc(C[C@@H](C)[NH2+]Cc2ccc(O)c(O)c2)cc1 ZINC001255780981 806748364 /nfs/dbraw/zinc/74/83/64/806748364.db2.gz SXNZEUDEJKUPKL-CYBMUJFWSA-N 1 0 271.360 3.127 20 10 CGCDRO Cc1cc(C[NH2+][C@H](C)c2cc(F)ccc2O)ccn1 ZINC000391146054 799477069 /nfs/dbraw/zinc/47/70/69/799477069.db2.gz UENHDJMIIXIZEQ-LLVKDONJSA-N 1 0 260.312 3.086 20 10 CGCDRO CC[C@H](C)[C@H](C[NH2+][C@@H](C)c1cc(C)ccc1O)OC ZINC000394453431 799496803 /nfs/dbraw/zinc/49/68/03/799496803.db2.gz PYNORHKELXKNCJ-XEZPLFJOSA-N 1 0 265.397 3.412 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CC23CCCC3)c1 ZINC000395658931 799507270 /nfs/dbraw/zinc/50/72/70/799507270.db2.gz XFTFUZZGGRKYNM-NHYWBVRUSA-N 1 0 261.365 3.384 20 10 CGCDRO COc1cccc(C[NH2+]C[C@@H](C)CC(F)(F)F)c1O ZINC000396903071 799511083 /nfs/dbraw/zinc/51/10/83/799511083.db2.gz HGMUBPSHWHEVEN-VIFPVBQESA-N 1 0 277.286 3.079 20 10 CGCDRO Cc1cc(C)c(C[NH2+][C@H](C)c2ccccc2O)cn1 ZINC000397071973 799513565 /nfs/dbraw/zinc/51/35/65/799513565.db2.gz ZQPJNDMOVRJAFZ-CYBMUJFWSA-N 1 0 256.349 3.255 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2CC[C@@H](C)O2)cc1 ZINC000398109646 799527227 /nfs/dbraw/zinc/52/72/27/799527227.db2.gz MILIFNCHGJNPCO-RHSMWYFYSA-N 1 0 276.424 3.190 20 10 CGCDRO COc1cc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)sn1 ZINC000399173339 799536034 /nfs/dbraw/zinc/53/60/34/799536034.db2.gz METRUEGPIZYUTM-LLVKDONJSA-N 1 0 291.420 3.069 20 10 CGCDRO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1Cc1cccc(C)c1O ZINC000403890104 799572564 /nfs/dbraw/zinc/57/25/64/799572564.db2.gz WMJCAHRGNIPWQP-CABCVRRESA-N 1 0 263.381 3.090 20 10 CGCDRO Cc1ccc(O)c(C[N@H+]2CCC[C@H](OC(C)C)C2)c1 ZINC000404540513 799578173 /nfs/dbraw/zinc/57/81/73/799578173.db2.gz FEWCVKGHHKYUTR-HNNXBMFYSA-N 1 0 263.381 3.090 20 10 CGCDRO C[C@H]([NH2+][C@@H]1COC2(CCC2)C1)c1ccc(N(C)C)cc1 ZINC000688281426 799746485 /nfs/dbraw/zinc/74/64/85/799746485.db2.gz DSGHFOLLUHXFPD-ZFWWWQNUSA-N 1 0 274.408 3.115 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2COC3(CCC3)C2)c(O)c1 ZINC000688285667 799747021 /nfs/dbraw/zinc/74/70/21/799747021.db2.gz ZJBSGQKZHSBDHP-OLZOCXBDSA-N 1 0 261.365 3.063 20 10 CGCDRO C[C@H]1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2O)CS1 ZINC000689641166 799767461 /nfs/dbraw/zinc/76/74/61/799767461.db2.gz JXJSWQIOGCYXLA-JOYOIKCWSA-N 1 0 271.813 3.419 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](CCF)C2)c1O ZINC000689883598 799770188 /nfs/dbraw/zinc/77/01/88/799770188.db2.gz GMBCREXGRYFOHK-ZDUSSCGKSA-N 1 0 281.371 3.363 20 10 CGCDRO CCc1cnc(C[NH2+]Cc2cccc(CC)c2O)s1 ZINC000691448185 799783599 /nfs/dbraw/zinc/78/35/99/799783599.db2.gz QTYRFZGFDFYACN-UHFFFAOYSA-N 1 0 276.405 3.263 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H]2CC[C@H](SC)C2)c1O ZINC000691501301 799785563 /nfs/dbraw/zinc/78/55/63/799785563.db2.gz VBPTYZAYALRUSD-KGLIPLIRSA-N 1 0 265.422 3.328 20 10 CGCDRO CO[C@H](C[NH2+][C@H](C)c1ccccc1O)C1CCCC1 ZINC000692933533 799805079 /nfs/dbraw/zinc/80/50/79/799805079.db2.gz JJAFCENZTYFFPQ-MLGOLLRUSA-N 1 0 263.381 3.248 20 10 CGCDRO COc1ccc(C[NH2+]Cc2cc(C)cc(C)c2)c(O)c1 ZINC000693202423 799808940 /nfs/dbraw/zinc/80/89/40/799808940.db2.gz KIMPCKCJFQCKBI-UHFFFAOYSA-N 1 0 271.360 3.307 20 10 CGCDRO CCc1cccc(C[NH2+][C@H](C)Cc2ccccn2)c1O ZINC000694064705 799820729 /nfs/dbraw/zinc/82/07/29/799820729.db2.gz UBOFSTWKPHSNHV-CYBMUJFWSA-N 1 0 270.376 3.070 20 10 CGCDRO CN1CCCc2cc(C[NH2+][C@@H]3CCC[C@H]4C[C@H]43)ccc21 ZINC000694343938 799822037 /nfs/dbraw/zinc/82/20/37/799822037.db2.gz LPYGJNFFKNDYCP-USXIJHARSA-N 1 0 270.420 3.347 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H]2CCCC(F)(F)C2)c1O ZINC000695082358 799825540 /nfs/dbraw/zinc/82/55/40/799825540.db2.gz LLNAORDPASKDCP-GFCCVEGCSA-N 1 0 285.334 3.458 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1cscn1 ZINC000697819219 799850331 /nfs/dbraw/zinc/85/03/31/799850331.db2.gz JWJCAADJHZWCDQ-MWLCHTKSSA-N 1 0 260.362 3.187 20 10 CGCDRO C[C@H]([NH2+][C@H]1[C@@H](C)[C@H](C)O[C@H]1C)c1ccc(N(C)C)cc1 ZINC000701021625 799882497 /nfs/dbraw/zinc/88/24/97/799882497.db2.gz SYKZHLISZDQSKT-DEEHTKSCSA-N 1 0 276.424 3.215 20 10 CGCDRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Br)cc1O ZINC000701044233 799884299 /nfs/dbraw/zinc/88/42/99/799884299.db2.gz PEGAOQBSYIFQHI-SKDRFNHKSA-N 1 0 284.197 3.433 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]CC[C@H]1CC1(F)F ZINC000701942631 799899107 /nfs/dbraw/zinc/89/91/07/799899107.db2.gz BWBPXVACMDTKAX-VIFPVBQESA-N 1 0 261.699 3.181 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]CC[C@@H]1CC1(F)F ZINC000701942629 799899969 /nfs/dbraw/zinc/89/99/69/799899969.db2.gz BWBPXVACMDTKAX-SECBINFHSA-N 1 0 261.699 3.181 20 10 CGCDRO CS[C@@H]1CC[C@@H]1[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000702001528 799901209 /nfs/dbraw/zinc/90/12/09/799901209.db2.gz GLVCTIJMJZPJES-GOEBONIOSA-N 1 0 276.449 3.053 20 10 CGCDRO CO[C@@H](C[NH2+][C@H]1CCc2cccc(O)c21)C1CCCC1 ZINC000703093435 799918896 /nfs/dbraw/zinc/91/88/96/799918896.db2.gz KVMPPAZQLAUAOD-HOCLYGCPSA-N 1 0 275.392 3.174 20 10 CGCDRO C[C@H]1CCCCC[N@@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000708421404 799988407 /nfs/dbraw/zinc/98/84/07/799988407.db2.gz FJMUMXBLRFWGJW-JTQLQIEISA-N 1 0 255.308 3.435 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCCO[C@@H](C(C)C)C2)c1O ZINC000709327590 800006425 /nfs/dbraw/zinc/00/64/25/800006425.db2.gz XEFNNOILBWJOHQ-MRXNPFEDSA-N 1 0 277.408 3.202 20 10 CGCDRO Cc1ccc(CC[NH2+][C@H](C)c2cc(C)ccc2O)o1 ZINC000709746674 800016593 /nfs/dbraw/zinc/01/65/93/800016593.db2.gz QWSFHKBZYUPYJX-CYBMUJFWSA-N 1 0 259.349 3.495 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCC3(CCC3)O2)c(O)c1 ZINC000711454232 800059377 /nfs/dbraw/zinc/05/93/77/800059377.db2.gz AQXBMLGOZGSGJY-ZIAGYGMSSA-N 1 0 275.392 3.453 20 10 CGCDRO c1cc(N2CCCCC2)ccc1C[NH2+][C@@H]1CC12CC2 ZINC000715241926 800132551 /nfs/dbraw/zinc/13/25/51/800132551.db2.gz ZLDJQGDXEUYCRD-MRXNPFEDSA-N 1 0 256.393 3.319 20 10 CGCDRO Cc1cccc(C[NH2+]CC[C@H]2CCCS2)c1O ZINC000715611497 800141480 /nfs/dbraw/zinc/14/14/80/800141480.db2.gz PLCUUPLQRGHHIT-CYBMUJFWSA-N 1 0 251.395 3.076 20 10 CGCDRO C[C@@H]([NH2+]CC[C@@H]1CC(C)(C)CO1)c1ccccc1O ZINC000717333550 800201155 /nfs/dbraw/zinc/20/11/55/800201155.db2.gz WMODQVBOXPNCAY-CHWSQXEVSA-N 1 0 263.381 3.248 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H](CCO)C2CCCC2)c(O)c1 ZINC000725073671 800372007 /nfs/dbraw/zinc/37/20/07/800372007.db2.gz ZXPCOKFZLOFQNM-XJKSGUPXSA-N 1 0 277.408 3.292 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1CCCSC1 ZINC000840945782 800501141 /nfs/dbraw/zinc/50/11/41/800501141.db2.gz XNQXVDHNDHJJAZ-AWEZNQCLSA-N 1 0 278.465 3.294 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CC[C@]2(C)CC2(F)F)cc1 ZINC000850380526 800517830 /nfs/dbraw/zinc/51/78/30/800517830.db2.gz IFAMMPORULOZNH-CQSZACIVSA-N 1 0 268.351 3.278 20 10 CGCDRO CCOc1ccc(C[NH2+][C@@H](c2ccccn2)C2CC2)c(O)c1 ZINC000922586066 800619334 /nfs/dbraw/zinc/61/93/34/800619334.db2.gz JYUTZFZNZWPCQZ-GOSISDBHSA-N 1 0 298.386 3.427 20 10 CGCDRO COc1cccc(C[N@H+](C)[C@H]2CC[C@@H](SC)C2)c1O ZINC001116444862 802351287 /nfs/dbraw/zinc/35/12/87/802351287.db2.gz BQQRBINQYHGDIM-QWHCGFSZSA-N 1 0 281.421 3.117 20 10 CGCDRO COc1cccc(C[N@H+](C)[C@@H]2CC[C@@H](SC)C2)c1O ZINC001116444860 802351360 /nfs/dbraw/zinc/35/13/60/802351360.db2.gz BQQRBINQYHGDIM-CHWSQXEVSA-N 1 0 281.421 3.117 20 10 CGCDRO COCC1(CC[NH2+]Cc2ccc(N3CCCC3)cc2)CC1 ZINC001118202619 802537824 /nfs/dbraw/zinc/53/78/24/802537824.db2.gz XZBNSTGVMOQWTP-UHFFFAOYSA-N 1 0 288.435 3.193 20 10 CGCDRO Cc1nnsc1[C@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC001119743555 802697019 /nfs/dbraw/zinc/69/70/19/802697019.db2.gz LSLMCFJOVNBWTI-QWRGUYRKSA-N 1 0 290.436 3.324 20 10 CGCDRO CCCSC[C@@H](C)[NH2+]Cc1cc(OC)ccc1O ZINC001120031495 802727700 /nfs/dbraw/zinc/72/77/00/802727700.db2.gz AIYPRZSDIJNUBQ-LLVKDONJSA-N 1 0 269.410 3.022 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H]1COC[C@@H]1C1CC1 ZINC001120258016 802736274 /nfs/dbraw/zinc/73/62/74/802736274.db2.gz CMCRANSLFHSPBI-RZFFKMDDSA-N 1 0 287.403 3.264 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CCc3cccc(O)c3C2)c1O ZINC001203615304 812406897 /nfs/dbraw/zinc/40/68/97/812406897.db2.gz PXMBYULVTSBIKR-UHFFFAOYSA-N 1 0 299.370 3.055 20 10 CGCDRO CN(C)c1ccc(C2=CC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC001245422350 803733135 /nfs/dbraw/zinc/73/31/35/803733135.db2.gz BTGYVLSSVXAERN-SFHVURJKSA-N 1 0 286.419 3.021 20 10 CGCDRO C[C@H]1Cc2ccccc2C[N@@H+]1Cc1c([O-])cccc1F ZINC001137840077 803779689 /nfs/dbraw/zinc/77/96/89/803779689.db2.gz RGGVVZZDZBZHSR-LBPRGKRZSA-N 1 0 271.335 3.478 20 10 CGCDRO Cc1cc(C[N@@H+]2CCCC[C@@H]2CO)c(C)n1-c1ccccc1 ZINC001137854463 803786560 /nfs/dbraw/zinc/78/65/60/803786560.db2.gz XVBVBJKICICXOU-LJQANCHMSA-N 1 0 298.430 3.441 20 10 CGCDRO C[C@]1(F)CCCC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC001138123878 803863886 /nfs/dbraw/zinc/86/38/86/803863886.db2.gz POPMJFDXRNMLDV-AWEZNQCLSA-N 1 0 255.308 3.245 20 10 CGCDRO Cc1c(C[N@@H+]2CCC[C@H](O)[C@H](C)C2)c2ccccc2n1C ZINC001138252297 803879524 /nfs/dbraw/zinc/87/95/24/803879524.db2.gz AWECDGUSRMTCES-ACJLOTCBSA-N 1 0 286.419 3.080 20 10 CGCDRO Cc1c(CN(C)Cc2ccno2)c2ccccc2n1C ZINC001138259707 803883453 /nfs/dbraw/zinc/88/34/53/803883453.db2.gz MNYUOFFYKPRKLN-UHFFFAOYSA-N 1 0 269.348 3.107 20 10 CGCDRO COC[C@H]1CCCC[N@@H+]1Cc1ccc2c(c1)CCCN2C ZINC001138354972 803900994 /nfs/dbraw/zinc/90/09/94/803900994.db2.gz XDMPJQVQUQMJGP-QGZVFWFLSA-N 1 0 288.435 3.070 20 10 CGCDRO Nc1ccc(C[NH2+][C@H]2COc3ccc(Cl)cc3C2)cc1 ZINC001246169592 804183943 /nfs/dbraw/zinc/18/39/43/804183943.db2.gz ICHPKFOETZOQFN-OAHLLOKOSA-N 1 0 288.778 3.016 20 10 CGCDRO Cc1cc(C[N@H+](C)Cc2cccnc2C)ccc1N(C)C ZINC001139673952 804246989 /nfs/dbraw/zinc/24/69/89/804246989.db2.gz ODMDMBADZLKZSH-UHFFFAOYSA-N 1 0 283.419 3.396 20 10 CGCDRO CCCOC1CC[NH+](Cc2ccc(N(C)C)c(C)c2)CC1 ZINC001139672440 804247040 /nfs/dbraw/zinc/24/70/40/804247040.db2.gz XISXYMOTAZXWDG-UHFFFAOYSA-N 1 0 290.451 3.452 20 10 CGCDRO Cc1cc(C[N@@H+]2CCC[C@@](C)(CO)CC2)ccc1N(C)C ZINC001139669708 804247717 /nfs/dbraw/zinc/24/77/17/804247717.db2.gz IQEPPYDXWCNKPI-GOSISDBHSA-N 1 0 290.451 3.046 20 10 CGCDRO Cc1cc(C[N@H+]2CC[C@@H](C)[C@](C)(O)CC2)ccc1N(C)C ZINC001139669788 804248297 /nfs/dbraw/zinc/24/82/97/804248297.db2.gz OAEDJQNGRGPVRW-CRAIPNDOSA-N 1 0 290.451 3.044 20 10 CGCDRO C[C@H]1CCC[N@H+](Cc2cc(F)ccc2O)C[C@H]1C ZINC001140057827 804365519 /nfs/dbraw/zinc/36/55/19/804365519.db2.gz PHRHVNPJQHWNEN-NWDGAFQWSA-N 1 0 251.345 3.399 20 10 CGCDRO Cc1ccc(C)c(C[N@@H+]2CCC[C@@H]2c2ncccn2)c1O ZINC001140185507 804398079 /nfs/dbraw/zinc/39/80/79/804398079.db2.gz XYVBAQPNOCELLD-OAHLLOKOSA-N 1 0 283.375 3.136 20 10 CGCDRO CCCCC[NH+]1CCN(Cc2c(O)cccc2Cl)CC1 ZINC001140344274 804419554 /nfs/dbraw/zinc/41/95/54/804419554.db2.gz HCIAEGPKSNASQI-UHFFFAOYSA-N 1 0 296.842 3.353 20 10 CGCDRO CCN(CC[NH+](CC)CC)Cc1c(O)cccc1Cl ZINC001140345298 804420904 /nfs/dbraw/zinc/42/09/04/804420904.db2.gz RDGZMEKEECJDFY-UHFFFAOYSA-N 1 0 284.831 3.209 20 10 CGCDRO O=C1CCN(Cc2ccc(Cl)cc2O)[C@@H]2CCCC[C@H]12 ZINC001140461732 804441085 /nfs/dbraw/zinc/44/10/85/804441085.db2.gz SERJRGZQEFSLDT-UONOGXRCSA-N 1 0 293.794 3.379 20 10 CGCDRO OCC[C@@H]1CC12CC[NH+](Cc1ccc(Cl)cc1O)CC2 ZINC001140463225 804441128 /nfs/dbraw/zinc/44/11/28/804441128.db2.gz WMGHHCRIGBBHCB-CYBMUJFWSA-N 1 0 295.810 3.030 20 10 CGCDRO CCCOC1CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001140466705 804442864 /nfs/dbraw/zinc/44/28/64/804442864.db2.gz LIXOWXQFBYNGBQ-UHFFFAOYSA-N 1 0 283.799 3.437 20 10 CGCDRO Oc1cc(Cl)ccc1C[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC001140467211 804443715 /nfs/dbraw/zinc/44/37/15/804443715.db2.gz PWTJWBADAZRFSV-CYBMUJFWSA-N 1 0 288.778 3.430 20 10 CGCDRO CC(C)OC1CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001140466910 804443840 /nfs/dbraw/zinc/44/38/40/804443840.db2.gz MBYYUVVFJDKIQO-UHFFFAOYSA-N 1 0 283.799 3.435 20 10 CGCDRO Oc1cc(Cl)ccc1C[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC001140466954 804444217 /nfs/dbraw/zinc/44/42/17/804444217.db2.gz NNNRITXERLJHRW-SECBINFHSA-N 1 0 279.689 3.430 20 10 CGCDRO Oc1cc(Cl)ccc1C[N@@H+]1CC[C@H](COCC2CC2)C1 ZINC001140466082 804444242 /nfs/dbraw/zinc/44/42/42/804444242.db2.gz WNTLPGLUCMZVJP-ZDUSSCGKSA-N 1 0 295.810 3.294 20 10 CGCDRO [O-]c1cc(F)cc(F)c1C[N@H+](CC1CC1)C1CC1 ZINC001140585397 804467891 /nfs/dbraw/zinc/46/78/91/804467891.db2.gz HZMCSTLROSRGRN-UHFFFAOYSA-N 1 0 253.292 3.045 20 10 CGCDRO CCOC[C@@]12CCC[C@@H]1C[N@H+](Cc1cc(C)ccc1O)C2 ZINC001140621612 804476276 /nfs/dbraw/zinc/47/62/76/804476276.db2.gz MRZNKVFPWSMIHH-AEFFLSMTSA-N 1 0 289.419 3.339 20 10 CGCDRO Cc1c(O)ccc(C[N@H+](C)Cc2nc3ccccc3o2)c1O ZINC001140747358 804504570 /nfs/dbraw/zinc/50/45/70/804504570.db2.gz ACGKWFFGHFPVMT-UHFFFAOYSA-N 1 0 298.342 3.179 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H](C)C[C@H]2CF)c(O)c1 ZINC001140850650 804533903 /nfs/dbraw/zinc/53/39/03/804533903.db2.gz PGMICXXVSUJRDI-BBRMVZONSA-N 1 0 294.414 3.418 20 10 CGCDRO CC[N@H+](Cc1cccnc1)Cc1ccc(C)cc1O ZINC001140949661 804556063 /nfs/dbraw/zinc/55/60/63/804556063.db2.gz HJGNDVVGMPXAMG-UHFFFAOYSA-N 1 0 256.349 3.118 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCCC[C@@](C)(F)C2)c(O)c1 ZINC001140947805 804556853 /nfs/dbraw/zinc/55/68/53/804556853.db2.gz GJCLITMOIBMGAM-OAHLLOKOSA-N 1 0 251.345 3.415 20 10 CGCDRO Cc1ccc(C[N@H+]2CCC(=O)[C@@H](C)C23CCCC3)c(O)c1 ZINC001140954711 804557286 /nfs/dbraw/zinc/55/72/86/804557286.db2.gz WXGOSCDFYGNKGS-CQSZACIVSA-N 1 0 287.403 3.424 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCOC[C@H]2C2CCCCC2)c(O)c1 ZINC001140954245 804557355 /nfs/dbraw/zinc/55/73/55/804557355.db2.gz NVNPFMXEFFTIBE-KRWDZBQOSA-N 1 0 289.419 3.482 20 10 CGCDRO Cc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(O)ccc2O)cn1 ZINC001141161521 804601579 /nfs/dbraw/zinc/60/15/79/804601579.db2.gz TXOTYOJPGPVVHF-INIZCTEOSA-N 1 0 284.359 3.138 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2cc(F)c(F)cc2[O-])[C@H](C)C1 ZINC001142525039 804731602 /nfs/dbraw/zinc/73/16/02/804731602.db2.gz UUIQQOWVSYCHHC-NXEZZACHSA-N 1 0 255.308 3.291 20 10 CGCDRO CC[C@@H](C)c1nn(C)cc1C[N@H+](C)Cc1ccccc1O ZINC001249408424 805142409 /nfs/dbraw/zinc/14/24/09/805142409.db2.gz DHTHFRAKUUILMF-CYBMUJFWSA-N 1 0 287.407 3.271 20 10 CGCDRO Cc1cc(C[N@@H+]2C[C@H]3CC[C@@H]2C3)c(O)cc1Br ZINC001250128597 805432451 /nfs/dbraw/zinc/43/24/51/805432451.db2.gz GWDOXZAQUXWPBJ-CMPLNLGQSA-N 1 0 296.208 3.447 20 10 CGCDRO CCN(Cc1ccccc1O)c1ncc(C)cc1OC ZINC001154888950 805504733 /nfs/dbraw/zinc/50/47/33/805504733.db2.gz LOPSCCVCHIVNCA-UHFFFAOYSA-N 1 0 272.348 3.131 20 10 CGCDRO CCC[C@H](C)[NH+]1CCN(c2ccc(OC)cc2C)CC1 ZINC001257327115 807109471 /nfs/dbraw/zinc/10/94/71/807109471.db2.gz HLXKIMOBNFCNTF-HNNXBMFYSA-N 1 0 276.424 3.314 20 10 CGCDRO C[C@H]1C[C@@H]([NH2+]Cc2cc3ccccc3cc2O)CCO1 ZINC001168090653 807308815 /nfs/dbraw/zinc/30/88/15/807308815.db2.gz GESNXQJJYXGPCK-LRDDRELGSA-N 1 0 271.360 3.203 20 10 CGCDRO CCOC(=O)CCC[C@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC001258107938 807311575 /nfs/dbraw/zinc/31/15/75/807311575.db2.gz YVRWYMCALVAFAE-STQMWFEESA-N 1 0 279.380 3.165 20 10 CGCDRO CC[N@H+](Cc1ccccc1O)[C@@H](C)Cc1ccco1 ZINC001258196453 807355286 /nfs/dbraw/zinc/35/52/86/807355286.db2.gz WTXKZGOVNCPUJP-ZDUSSCGKSA-N 1 0 259.349 3.438 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(-n2ccc(C[NH3+])c2)cc1 ZINC001169726067 807698549 /nfs/dbraw/zinc/69/85/49/807698549.db2.gz UEGJVBMBOKFSEB-UHFFFAOYSA-N 1 0 265.360 3.344 20 10 CGCDRO C[C@@H]1C[C@H](C[NH2+]Cc2ccc(N3CCCC3)cc2)[C@@H](C)O1 ZINC001261368305 807739429 /nfs/dbraw/zinc/73/94/29/807739429.db2.gz ZISQQHRLOVNEKB-BFYDXBDKSA-N 1 0 288.435 3.190 20 10 CGCDRO C[C@@H]1CC[C@H]([NH2+]C2CCN(Cc3ccccc3O)CC2)C1 ZINC001170113555 807761542 /nfs/dbraw/zinc/76/15/42/807761542.db2.gz RFMZIGVCAQWPRO-PBHICJAKSA-N 1 0 288.435 3.135 20 10 CGCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H](CF)C1)CCCC2 ZINC001262052653 807815112 /nfs/dbraw/zinc/81/51/12/807815112.db2.gz BXEKMVVWQQCCBC-GFCCVEGCSA-N 1 0 263.356 3.062 20 10 CGCDRO Cc1cccc2c1CC[C@H]([NH2+]Cc1ccc(O)cc1O)C2 ZINC001171552856 808093134 /nfs/dbraw/zinc/09/31/34/808093134.db2.gz IQULAJVJBJCISA-HNNXBMFYSA-N 1 0 283.371 3.053 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2C)c1ccccc1O ZINC001172105108 808174469 /nfs/dbraw/zinc/17/44/69/808174469.db2.gz GUNGJEUHPCLYJF-TUVASFSCSA-N 1 0 274.408 3.058 20 10 CGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)[C@@H]1COC(C)(C)C1 ZINC001172294270 808219031 /nfs/dbraw/zinc/21/90/31/808219031.db2.gz XGNUHQIZMAEMNQ-INIZCTEOSA-N 1 0 276.424 3.142 20 10 CGCDRO CC(C)OCC[C@H](C)[N@H+](C)Cc1ccccc1O ZINC001172454373 808325063 /nfs/dbraw/zinc/32/50/63/808325063.db2.gz JJFYGAKMJWBPRM-ZDUSSCGKSA-N 1 0 251.370 3.028 20 10 CGCDRO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1cc(Cl)c(C)cc1O ZINC001276372229 809005985 /nfs/dbraw/zinc/00/59/85/809005985.db2.gz KKWRNIQGFAUTTA-AGUYFDCRSA-N 1 0 294.826 3.069 20 10 CGCDRO CCOc1ccc(N2CCC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC001276925984 809044947 /nfs/dbraw/zinc/04/49/47/809044947.db2.gz KYQGLTQBEHVKDJ-KRWDZBQOSA-N 1 0 274.408 3.007 20 10 CGCDRO Cc1cc(Nc2ccc(Br)cc2O)cc[nH+]1 ZINC001174655504 809119371 /nfs/dbraw/zinc/11/93/71/809119371.db2.gz IMSQPNVGKDONHS-UHFFFAOYSA-N 1 0 279.137 3.024 20 10 CGCDRO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001178934081 809895310 /nfs/dbraw/zinc/89/53/10/809895310.db2.gz IKENUCMGBPVRCW-QZTJIDSGSA-N 1 0 288.435 3.334 20 10 CGCDRO Oc1cc(Cl)ccc1CN1CC(C(F)(F)F)C1 ZINC001181860892 810077367 /nfs/dbraw/zinc/07/73/67/810077367.db2.gz PENZWBCNXYWNFM-UHFFFAOYSA-N 1 0 265.662 3.040 20 10 CGCDRO CCC[C@@]1(CO)CC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001182142236 810095612 /nfs/dbraw/zinc/09/56/12/810095612.db2.gz YDSXYFXTSAOPKQ-OAHLLOKOSA-N 1 0 283.799 3.030 20 10 CGCDRO CC[C@H]([NH2+]Cc1cc(C(C)C)ccc1O)[C@@H](O)C(C)C ZINC001182387975 810108447 /nfs/dbraw/zinc/10/84/47/810108447.db2.gz QFWFUQGNIQGGLP-RDJZCZTQSA-N 1 0 279.424 3.401 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H]2C[C@@]2(F)c2ccccc2)c(O)c1 ZINC001182497696 810112404 /nfs/dbraw/zinc/11/24/04/810112404.db2.gz ALENDTAIWJUYJA-IAGOWNOFSA-N 1 0 271.335 3.428 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2C[C@H]2C(C)C)cc1Cl ZINC001184439339 810199636 /nfs/dbraw/zinc/19/96/36/810199636.db2.gz MVIYOHNOLPUIAW-WCQYABFASA-N 1 0 253.773 3.488 20 10 CGCDRO Cc1c[nH+]ccc1Nc1ccc(OC(F)(F)F)cc1O ZINC001214386655 815403518 /nfs/dbraw/zinc/40/35/18/815403518.db2.gz JAEALGCWLUAOAX-UHFFFAOYSA-N 1 0 284.237 3.160 20 10 CGCDRO CCOCc1cc(C[NH2+][C@H]2C=CCCC2)ccc1OC ZINC001201178984 811792236 /nfs/dbraw/zinc/79/22/36/811792236.db2.gz HAARCVZTJMRQJE-INIZCTEOSA-N 1 0 275.392 3.430 20 10 CGCDRO CC[N@H+](Cc1cnc2ccccn12)Cc1ccccc1O ZINC001203157098 812254622 /nfs/dbraw/zinc/25/46/22/812254622.db2.gz JPQFKBGVNQJZGZ-UHFFFAOYSA-N 1 0 281.359 3.062 20 10 CGCDRO CCSC1(C[NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC001203216039 812268215 /nfs/dbraw/zinc/26/82/15/812268215.db2.gz PKYVMDBTLAIBGB-UHFFFAOYSA-N 1 0 277.433 3.387 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CC[C@@H]1COCc1ccccc1 ZINC001203555802 812389950 /nfs/dbraw/zinc/38/99/50/812389950.db2.gz GGVVFPUKNVZSCJ-QGZVFWFLSA-N 1 0 283.371 3.183 20 10 CGCDRO COc1ccc(C[N@@H+]2Cc3cccc(C)c3C2)c(O)c1 ZINC001203621026 812409491 /nfs/dbraw/zinc/40/94/91/812409491.db2.gz OCKMZJLFXKWHBM-UHFFFAOYSA-N 1 0 269.344 3.225 20 10 CGCDRO COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1ccc(O)c(O)c1 ZINC001203882279 812479863 /nfs/dbraw/zinc/47/98/63/812479863.db2.gz GYAMOGSDQPYBCC-HNNXBMFYSA-N 1 0 299.370 3.444 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H]3CCC[C@H]3C2)cc1 ZINC001203931183 812494621 /nfs/dbraw/zinc/49/46/21/812494621.db2.gz OBNXMZMOWGTRKY-CVEARBPZSA-N 1 0 258.409 3.375 20 10 CGCDRO CN(C)c1ccc(C[NH+]2CCC3(CC(F)C3)CC2)cc1 ZINC001203930735 812494817 /nfs/dbraw/zinc/49/48/17/812494817.db2.gz GWDIEQOHCHCLAP-UHFFFAOYSA-N 1 0 276.399 3.467 20 10 CGCDRO CCN(CC)c1ccc(CN2CCn3cccc3C2)cc1 ZINC001203939775 812497263 /nfs/dbraw/zinc/49/72/63/812497263.db2.gz VFWIBLXZNOEJDJ-UHFFFAOYSA-N 1 0 283.419 3.350 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)C2CCN(C)CC2)cc1 ZINC001203936816 812497445 /nfs/dbraw/zinc/49/74/45/812497445.db2.gz ODSUTOFOKQSENW-UHFFFAOYSA-N 1 0 289.467 3.059 20 10 CGCDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cc(F)c(F)cc2[O-])C1(C)C ZINC001204235798 812581199 /nfs/dbraw/zinc/58/11/99/812581199.db2.gz DGMBNSFKFUXTCW-HUUCEWRRSA-N 1 0 299.361 3.306 20 10 CGCDRO C[C@H]1C[N@H+](Cc2ccc(N(C)C)c3ccccc23)CC[C@@H]1O ZINC001204234159 812582068 /nfs/dbraw/zinc/58/20/68/812582068.db2.gz XRHWZGRCYOEVFM-LIRRHRJNSA-N 1 0 298.430 3.109 20 10 CGCDRO Oc1ccc(C[N@@H+]2CCC[C@@H](c3ccccc3)C2)c(O)c1 ZINC001204274943 812595323 /nfs/dbraw/zinc/59/53/23/812595323.db2.gz JVYXLJOJOYVGBY-OAHLLOKOSA-N 1 0 283.371 3.477 20 10 CGCDRO Oc1cc(Cl)ccc1C[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC001204333288 812615800 /nfs/dbraw/zinc/61/58/00/812615800.db2.gz ARWLZDGYFSMVTJ-JSGCOSHPSA-N 1 0 281.783 3.047 20 10 CGCDRO COc1cc(CN2Cc3ccccc3C[C@@H]2C)cc(O)c1O ZINC001204345103 812616456 /nfs/dbraw/zinc/61/64/56/812616456.db2.gz HOMWTTYDIRAWOD-LBPRGKRZSA-N 1 0 299.370 3.053 20 10 CGCDRO C[N@H+](Cc1cc2cccnc2o1)Cc1ccccc1O ZINC001204826488 812747134 /nfs/dbraw/zinc/74/71/34/812747134.db2.gz KYQUMHJOLRIXEQ-UHFFFAOYSA-N 1 0 268.316 3.165 20 10 CGCDRO C[C@]1([NH3+])CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001204939403 812788186 /nfs/dbraw/zinc/78/81/86/812788186.db2.gz RCYKOAXZZCIIQF-ZDUSSCGKSA-N 1 0 289.206 3.012 20 10 CGCDRO C[C@H]1CC[C@@H](C[NH3+])N1Cc1cccc(C(C)(C)C)c1O ZINC001205075755 812850316 /nfs/dbraw/zinc/85/03/16/812850316.db2.gz LQMBHDWXLXTGBZ-JSGCOSHPSA-N 1 0 276.424 3.001 20 10 CGCDRO COc1cc(C)c(C[NH2+]C[C@@H]2CC[C@@H](C)C2)c(O)c1 ZINC001205634430 813036377 /nfs/dbraw/zinc/03/63/77/813036377.db2.gz SODRDCKGPZMFRD-DGCLKSJQSA-N 1 0 263.381 3.235 20 10 CGCDRO CO[C@@H]([C@@H](C)[NH2+]Cc1cc(C(C)C)ccc1O)C1CC1 ZINC001205811403 813089745 /nfs/dbraw/zinc/08/97/45/813089745.db2.gz CICRXNUPTSDKTC-PXAZEXFGSA-N 1 0 277.408 3.419 20 10 CGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ncccc1OC ZINC001206656052 813391513 /nfs/dbraw/zinc/39/15/13/813391513.db2.gz GNAQICCVYVMFLW-UHFFFAOYSA-N 1 0 299.418 3.178 20 10 CGCDRO CC[N@H+](CCCCOC)Cc1ccc(N(C)C)cc1 ZINC001209220739 813971294 /nfs/dbraw/zinc/97/12/94/813971294.db2.gz XRZWCTMZJKTGCY-UHFFFAOYSA-N 1 0 264.413 3.001 20 10 CGCDRO CCc1ccc(CN2CC[NH2+]C[C@H]2c2ccccc2)c(O)c1 ZINC001210228526 814354544 /nfs/dbraw/zinc/35/45/44/814354544.db2.gz VKUNPQBKCNVIQN-SFHVURJKSA-N 1 0 296.414 3.101 20 10 CGCDRO c1ccc(/N=N/c2ccc(O[C@H]3C[NH2+]CCOC3)cc2)cc1 ZINC001218042158 816070118 /nfs/dbraw/zinc/07/01/18/816070118.db2.gz JRXFGTZEYLYNRP-NRTINQSCSA-N 1 0 297.358 3.469 20 10 CGCDRO c1cc(N2CC[NH2+]CC2)ccc1O[C@H]1CCC=CCCC1 ZINC001218302255 816158639 /nfs/dbraw/zinc/15/86/39/816158639.db2.gz AVYKRPIWHZURDF-KRWDZBQOSA-N 1 0 286.419 3.364 20 10 CGCDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Oc1ccc(N)cc1 ZINC001218484948 816239037 /nfs/dbraw/zinc/23/90/37/816239037.db2.gz OTANHCBGOSULKK-KSSFIOAISA-N 1 0 282.387 3.168 20 10 CGCDRO Cc1c(CN2CC[C@]3(C2)CCCC[NH2+]3)c2ccccc2n1C ZINC001222427143 816443030 /nfs/dbraw/zinc/44/30/30/816443030.db2.gz MOHJBMQXFGNMIQ-IBGZPJMESA-N 1 0 297.446 3.205 20 10 CGCDRO C[C@H]1CC[N@H+](Cc2c(O)ccc3ccccc32)CCC1=O ZINC001231587010 818128820 /nfs/dbraw/zinc/12/88/20/818128820.db2.gz PJEJDIJVTNWCOJ-ZDUSSCGKSA-N 1 0 283.371 3.346 20 10 CGCDRO Cc1cc(C)c(C[N@@H+]2CCC(F)(F)[C@@H](C)C2)c(O)c1 ZINC001231842189 818185836 /nfs/dbraw/zinc/18/58/36/818185836.db2.gz KPKCYLSZXBBKHE-LBPRGKRZSA-N 1 0 269.335 3.486 20 10 CGCDRO Cc1cc(C)c(C[N@H+](C)Cc2cccnc2)c(O)c1 ZINC001231842359 818186081 /nfs/dbraw/zinc/18/60/81/818186081.db2.gz QHMZHXKPCKBUKC-UHFFFAOYSA-N 1 0 256.349 3.036 20 10 CGCDRO Cc1cc(C)c(C[NH+]2CC3(C2)CC(F)(F)C3)c(O)c1 ZINC001231843281 818186238 /nfs/dbraw/zinc/18/62/38/818186238.db2.gz ULNMPWHKDRSLSZ-UHFFFAOYSA-N 1 0 267.319 3.240 20 10 CGCDRO COC(C)(C)[C@@H]1CCC[N@@H+]1Cc1c(C)cc(C)cc1O ZINC001231847028 818187471 /nfs/dbraw/zinc/18/74/71/818187471.db2.gz UQJFDMCCAQEQPZ-INIZCTEOSA-N 1 0 277.408 3.398 20 10 CGCDRO COc1cc(N(C)C)ccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001231854790 818188299 /nfs/dbraw/zinc/18/82/99/818188299.db2.gz LXPHDIQXCPZNAM-ZIAGYGMSSA-N 1 0 276.424 3.239 20 10 CGCDRO Cc1cc(O)c(CN2CCC[N@@H+]3CCC[C@@H]3C2)cc1Cl ZINC001231870511 818193611 /nfs/dbraw/zinc/19/36/11/818193611.db2.gz GYECKXRIAOTTFL-CQSZACIVSA-N 1 0 294.826 3.024 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2C[C@@H]3CCCC(=O)[C@@H]3C2)cc1Cl ZINC001231871980 818193774 /nfs/dbraw/zinc/19/37/74/818193774.db2.gz TWZUEPIIZGQQTI-WCQYABFASA-N 1 0 293.794 3.155 20 10 CGCDRO CC[NH+](CC)[C@H]1CCN(Cc2cc(Cl)c(C)cc2O)C1 ZINC001231870580 818194809 /nfs/dbraw/zinc/19/48/09/818194809.db2.gz KIVKWPXXNCRQOK-AWEZNQCLSA-N 1 0 296.842 3.270 20 10 CGCDRO Oc1c(C[NH+]2CC3(C2)CCCCO3)ccc2ccccc21 ZINC001231879754 818199848 /nfs/dbraw/zinc/19/98/48/818199848.db2.gz QRWGOCWKXUCINY-UHFFFAOYSA-N 1 0 283.371 3.300 20 10 CGCDRO CC1(F)CC[NH+](Cc2cc(Cl)c(O)cc2O)CC1 ZINC001232260819 818296523 /nfs/dbraw/zinc/29/65/23/818296523.db2.gz RQULSIJIUKZVFG-UHFFFAOYSA-N 1 0 273.735 3.075 20 10 CGCDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232262874 818298281 /nfs/dbraw/zinc/29/82/81/818298281.db2.gz UNQDPXMFXZIDFZ-NXEZZACHSA-N 1 0 269.772 3.229 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2cc(Cl)c(O)cc2O)[C@@H](C)C1 ZINC001232269249 818299619 /nfs/dbraw/zinc/29/96/19/818299619.db2.gz YTUXCPUCURITKK-ZJUUUORDSA-N 1 0 269.772 3.372 20 10 CGCDRO CC[N@H+](Cc1cn2cc(F)ccc2n1)Cc1ccccc1O ZINC001232415523 818341645 /nfs/dbraw/zinc/34/16/45/818341645.db2.gz ACXWJKKEGPJLRI-UHFFFAOYSA-N 1 0 299.349 3.201 20 10 CGCDRO Cc1c(C[N@@H+]2CCc3cccc(O)c3C2)ccnc1Cl ZINC001232756638 818434686 /nfs/dbraw/zinc/43/46/86/818434686.db2.gz IBCYDTIADRUORZ-UHFFFAOYSA-N 1 0 288.778 3.307 20 10 CGCDRO CN(C)c1ccc(C[N@H+](Cc2ccco2)C2CC2)c(O)c1 ZINC001232841208 818453545 /nfs/dbraw/zinc/45/35/45/818453545.db2.gz YCFLGXYETDNOTP-UHFFFAOYSA-N 1 0 286.375 3.216 20 10 CGCDRO Oc1cc(C[N@@H+]2CCC[C@@H]2c2ccccc2)cc(O)c1O ZINC001233014078 818503293 /nfs/dbraw/zinc/50/32/93/818503293.db2.gz YFXBYXRMHPVSJN-CQSZACIVSA-N 1 0 285.343 3.141 20 10 CGCDRO Cc1ccc(C[N@@H+](C)Cc2ccccc2O)cc1O ZINC001233233224 818547155 /nfs/dbraw/zinc/54/71/55/818547155.db2.gz BGGSNVZREVGVNA-UHFFFAOYSA-N 1 0 257.333 3.038 20 10 CGCDRO CC[N@H+](CCOC)Cc1cc(C(C)(C)C)ccc1O ZINC001233283271 818566037 /nfs/dbraw/zinc/56/60/37/818566037.db2.gz ABXBQAWNWYCQMM-UHFFFAOYSA-N 1 0 265.397 3.158 20 10 CGCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CCCC[C@@H]2CO)c1 ZINC001233283469 818566108 /nfs/dbraw/zinc/56/61/08/818566108.db2.gz IDFCCUKATXSGFF-OAHLLOKOSA-N 1 0 277.408 3.037 20 10 CGCDRO C[C@@H]1CCC[N@H+](Cc2cc(C(C)(C)C)ccc2O)[C@@H]1CO ZINC001233284551 818567536 /nfs/dbraw/zinc/56/75/36/818567536.db2.gz ZCUUTHVQMFSKFJ-CZUORRHYSA-N 1 0 291.435 3.283 20 10 CGCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CCC[C@@]23CCOC3)c1 ZINC001233286753 818567590 /nfs/dbraw/zinc/56/75/90/818567590.db2.gz HOJYLWIOIFDQDV-SFHVURJKSA-N 1 0 289.419 3.445 20 10 CGCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CCC(=O)C(C)(C)C2)c1 ZINC001233286307 818568062 /nfs/dbraw/zinc/56/80/62/818568062.db2.gz NZFLYJMGCPYREF-UHFFFAOYSA-N 1 0 289.419 3.491 20 10 CGCDRO CC1(C)[C@@H]2C[N@@H+](Cc3cccc(C(F)(F)F)c3[O-])C[C@@H]21 ZINC001233418513 818615651 /nfs/dbraw/zinc/61/56/51/818615651.db2.gz KDWGHANPCNLWDJ-TXEJJXNPSA-N 1 0 285.309 3.499 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2cccc(OC(F)(F)F)c2O)C[C@@H]1F ZINC001233726806 818691937 /nfs/dbraw/zinc/69/19/37/818691937.db2.gz IFMWLISVFTWZQS-SCZZXKLOSA-N 1 0 293.260 3.081 20 10 CGCDRO Oc1c(C[N@@H+]2CCCOCC2)cccc1-c1ccccc1 ZINC001234991279 818970510 /nfs/dbraw/zinc/97/05/10/818970510.db2.gz LQUJDAKIPYKEBH-UHFFFAOYSA-N 1 0 283.371 3.282 20 10 CGCDRO Cc1cc(CN2CC[C@@H]3[NH2+]CC[C@H]32)c(C)n1-c1ccccc1 ZINC001235042015 818987718 /nfs/dbraw/zinc/98/77/18/818987718.db2.gz OGPVHGBLCKMWAS-RBUKOAKNSA-N 1 0 295.430 3.030 20 10 CGCDRO CC(C)c1ccc(CN2CCCC[C@@]23CC[NH2+]C3)c(O)c1 ZINC001235129245 819013853 /nfs/dbraw/zinc/01/38/53/819013853.db2.gz LEMSEVVUXPCZPU-SFHVURJKSA-N 1 0 288.435 3.234 20 10 CGCDRO Oc1ccc(Cl)cc1CN1CCCC[C@]12CCC[NH2+]C2 ZINC001235169663 819022370 /nfs/dbraw/zinc/02/23/70/819022370.db2.gz BZQGTCASHXFQCA-MRXNPFEDSA-N 1 0 294.826 3.154 20 10 CGCDRO CCOc1cc(O)cc(C[N@H+](C)Cc2ccccc2O)c1 ZINC001235400729 819085579 /nfs/dbraw/zinc/08/55/79/819085579.db2.gz JFIWEDNYEPOSJN-UHFFFAOYSA-N 1 0 287.359 3.129 20 10 CGCDRO CC(C)[NH+]1CCN(Cc2ccc(C(C)(C)C)cc2O)CC1 ZINC001235674068 819135604 /nfs/dbraw/zinc/13/56/04/819135604.db2.gz DGRVEGVXVNTDSK-UHFFFAOYSA-N 1 0 290.451 3.216 20 10 CGCDRO CC(C)(C)c1ccc(C[N@H+]2CCC[C@H]2C(C)(C)O)c(O)c1 ZINC001235678691 819138161 /nfs/dbraw/zinc/13/81/61/819138161.db2.gz LCMVECMMKWJMHQ-INIZCTEOSA-N 1 0 291.435 3.425 20 10 CGCDRO C[C@@H]1CN(C)[C@@H](C)C[N@@H+]1Cc1ccc(C(C)(C)C)cc1O ZINC001235681447 819139977 /nfs/dbraw/zinc/13/99/77/819139977.db2.gz IEQSLMVREOPUDL-UONOGXRCSA-N 1 0 290.451 3.214 20 10 CGCDRO CC(C)(C)c1ccc(C[NH+]2CCSCC2)c(O)c1 ZINC001235683878 819141743 /nfs/dbraw/zinc/14/17/43/819141743.db2.gz WQTQOAVFMXUHCN-UHFFFAOYSA-N 1 0 265.422 3.239 20 10 CGCDRO Nc1ccc(C[N@@H+]2CCC[C@H](OCc3ccccc3)C2)cc1 ZINC001235958645 819246264 /nfs/dbraw/zinc/24/62/64/819246264.db2.gz OTVMAOFVADSIDU-IBGZPJMESA-N 1 0 296.414 3.450 20 10 CGCDRO CCN(Cc1cccc(-c2ccccc2)c1O)[C@@H]1CC[NH2+]C1 ZINC001235969254 819253862 /nfs/dbraw/zinc/25/38/62/819253862.db2.gz AAZQNORKMFXBOB-QGZVFWFLSA-N 1 0 296.414 3.243 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(CN2C[C@@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001235976990 819257282 /nfs/dbraw/zinc/25/72/82/819257282.db2.gz DWEGXKXHOSOFDN-PKOBYXMFSA-N 1 0 295.430 3.017 20 10 CGCDRO CCCC[C@H]1CN(Cc2ccc(N(C)C)c(C)c2)CC[NH2+]1 ZINC001236137906 819338633 /nfs/dbraw/zinc/33/86/33/819338633.db2.gz DBKSYAVWQOQFGA-KRWDZBQOSA-N 1 0 289.467 3.025 20 10 CGCDRO CCCC[C@H]1CN(Cc2ccc(C(C)C)cc2O)CC[NH2+]1 ZINC001236140793 819340867 /nfs/dbraw/zinc/34/08/67/819340867.db2.gz GWMNTLVOFRIJKY-KRWDZBQOSA-N 1 0 290.451 3.480 20 10 CGCDRO c1cc(N2CCCC2)ccc1CN(C1CC1)[C@@H]1CCC[NH2+]C1 ZINC001236237668 819397202 /nfs/dbraw/zinc/39/72/02/819397202.db2.gz UNNLRMORYYMGIE-LJQANCHMSA-N 1 0 299.462 3.003 20 10 CGCDRO C[C@H]1[C@@H]([NH3+])CCCN1Cc1cc(Cl)c(Cl)cc1O ZINC001236416755 819462275 /nfs/dbraw/zinc/46/22/75/819462275.db2.gz CKGSRRIZAYOKRV-UFBFGSQYSA-N 1 0 289.206 3.011 20 10 CGCDRO C[C@H]1[C@H]([NH3+])CCCN1Cc1cc(Cl)c(Cl)cc1O ZINC001236416753 819462374 /nfs/dbraw/zinc/46/23/74/819462374.db2.gz CKGSRRIZAYOKRV-QPUJVOFHSA-N 1 0 289.206 3.011 20 10 CGCDRO C[C@@H]1[C@H]([NH3+])CCCN1Cc1ccc(N(C)C)c2ccccc12 ZINC001236420486 819466947 /nfs/dbraw/zinc/46/69/47/819466947.db2.gz MTYHFOHBERDWCP-RDTXWAMCSA-N 1 0 297.446 3.217 20 10 CGCDRO [O-]c1cc(Cl)ccc1C[N@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001236599050 819548618 /nfs/dbraw/zinc/54/86/18/819548618.db2.gz OSYYUZVDKFQJSO-LBPRGKRZSA-N 1 0 294.826 3.010 20 10 CGCDRO Oc1ccc(OCc2ccccc2)cc1C[NH+]1CC=CC1 ZINC001236779629 819593130 /nfs/dbraw/zinc/59/31/30/819593130.db2.gz UKBYMOMPUSZBJL-UHFFFAOYSA-N 1 0 281.355 3.343 20 10 CGCDRO CCc1ccc(C[NH+]2CCC3(C[C@@H](F)CO3)CC2)c(O)c1 ZINC001236791504 819594491 /nfs/dbraw/zinc/59/44/91/819594491.db2.gz HWVVMZVBJPZNKV-OAHLLOKOSA-N 1 0 293.382 3.048 20 10 CGCDRO CCc1ccc(C[N@@H+]2CCC[C@H](F)CC2)c(O)c1 ZINC001236784298 819594988 /nfs/dbraw/zinc/59/49/88/819594988.db2.gz UJVQGUAQWGTWOR-AWEZNQCLSA-N 1 0 251.345 3.279 20 10 CGCDRO COc1cc(O)c(C[N@H+](C)C2CCCC2)c(Cl)c1 ZINC001236799462 819600249 /nfs/dbraw/zinc/60/02/49/819600249.db2.gz OGBOTNBTNSXUEH-UHFFFAOYSA-N 1 0 269.772 3.429 20 10 CGCDRO CC[C@@H]1CC[N@H+](Cc2c(O)cc(OC)cc2Cl)C1 ZINC001236805774 819602340 /nfs/dbraw/zinc/60/23/40/819602340.db2.gz IXNXGJSWABFCIF-SNVBAGLBSA-N 1 0 269.772 3.286 20 10 CGCDRO COc1cc(C)c(C[N@H+](C)Cc2cccc(F)c2)c(O)c1 ZINC001236807745 819603186 /nfs/dbraw/zinc/60/31/86/819603186.db2.gz KMEZJJLROOZCFY-UHFFFAOYSA-N 1 0 289.350 3.480 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CCC[C@H]2c2ccncc2)c(O)c1 ZINC001236812856 819603907 /nfs/dbraw/zinc/60/39/07/819603907.db2.gz FWKASOZNESYYGU-KRWDZBQOSA-N 1 0 298.386 3.441 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CC[C@@H](C)C[C@H]2C)c(O)c1 ZINC001236810212 819605018 /nfs/dbraw/zinc/60/50/18/819605018.db2.gz DHQNYKFKLBVZJJ-DGCLKSJQSA-N 1 0 263.381 3.330 20 10 CGCDRO COc1cc(C)c(C[NH+]2CC(C)(C)OC(C)(C)C2)c(O)c1 ZINC001236817673 819605703 /nfs/dbraw/zinc/60/57/03/819605703.db2.gz FTZIJLJBQOPXTA-UHFFFAOYSA-N 1 0 293.407 3.099 20 10 CGCDRO Oc1cc2ccccc2cc1C[N@@H+]1CCOCC12CCC2 ZINC001236834296 819613332 /nfs/dbraw/zinc/61/33/32/819613332.db2.gz VUZRSXORGJBEDD-UHFFFAOYSA-N 1 0 283.371 3.300 20 10 CGCDRO CCOc1ccc(C[N@H+](C)C[C@@H]2CC2(C)C)c(O)c1 ZINC001237044868 819650298 /nfs/dbraw/zinc/65/02/98/819650298.db2.gz VCNCRMXVHMUKOO-ZDUSSCGKSA-N 1 0 263.381 3.269 20 10 CGCDRO CCOc1ccc(C[N@H+](C)C(CC)CC)c(O)c1 ZINC001237044666 819650538 /nfs/dbraw/zinc/65/05/38/819650538.db2.gz RQKKXTNUVAFHRW-UHFFFAOYSA-N 1 0 251.370 3.411 20 10 CGCDRO CCC[N@H+](C)Cc1ccc(OCC(F)(F)F)cc1O ZINC001237052428 819652021 /nfs/dbraw/zinc/65/20/21/819652021.db2.gz YLOOZZKWVNASQC-UHFFFAOYSA-N 1 0 277.286 3.175 20 10 CGCDRO CCN1CC[N@H+](Cc2ccc(C(C)C)cc2O)[C@H](C)C1 ZINC001237050299 819652231 /nfs/dbraw/zinc/65/22/31/819652231.db2.gz AAUDAKKMXGCSGY-CQSZACIVSA-N 1 0 276.424 3.042 20 10 CGCDRO CCOc1ccc(CN2CC[C@@](C)(F)[C@H](F)C2)c(O)c1 ZINC001237049840 819652358 /nfs/dbraw/zinc/65/23/58/819652358.db2.gz LWTOLOCQKLLNNO-HUUCEWRRSA-N 1 0 285.334 3.063 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2CCO[C@@H](C(C)C)C2)c(O)c1 ZINC001237056226 819654478 /nfs/dbraw/zinc/65/44/78/819654478.db2.gz VNBFMPJVBDQREA-QGZVFWFLSA-N 1 0 277.408 3.372 20 10 CGCDRO Oc1ccc(F)c(Cl)c1C[N@@H+]1CC[C@@]2(C1)CCCCO2 ZINC001237124213 819673113 /nfs/dbraw/zinc/67/31/13/819673113.db2.gz NCCKTDIFQFCZAK-OAHLLOKOSA-N 1 0 299.773 3.330 20 10 CGCDRO COCC1CC[NH+](Cc2c(O)ccc(F)c2Cl)CC1 ZINC001237122823 819674068 /nfs/dbraw/zinc/67/40/68/819674068.db2.gz ZDHBKCJBEMNBOH-UHFFFAOYSA-N 1 0 287.762 3.043 20 10 CGCDRO COC[C@@H]1CCC[N@@H+]1Cc1cc(C(F)(F)F)ccc1O ZINC001237134988 819674809 /nfs/dbraw/zinc/67/48/09/819674809.db2.gz DTRREIRGEFBAKM-LBPRGKRZSA-N 1 0 289.297 3.022 20 10 CGCDRO Oc1ccc(C(F)(F)F)cc1C[N@@H+]1CCC2(CC2)C1 ZINC001237136921 819675305 /nfs/dbraw/zinc/67/53/05/819675305.db2.gz XKKDXOWEOUHMTJ-UHFFFAOYSA-N 1 0 271.282 3.397 20 10 CGCDRO Oc1c(C[N@@H+]2CCNC3=CCCC[C@@H]32)ccc2ccccc21 ZINC001237225763 819705391 /nfs/dbraw/zinc/70/53/91/819705391.db2.gz QWKIUMFSCSQOJC-SFHVURJKSA-N 1 0 294.398 3.387 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2CCNC3=CCCC[C@H]32)c(O)c1 ZINC001237229368 819706711 /nfs/dbraw/zinc/70/67/11/819706711.db2.gz OQHZSTWDZVHKKN-QGZVFWFLSA-N 1 0 286.419 3.357 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1C[C@@H](CF)[C@H](C(F)(F)F)C1 ZINC001237485878 819762536 /nfs/dbraw/zinc/76/25/36/819762536.db2.gz VBJLFBDTXJNMQQ-ZYHUDNBSSA-N 1 0 291.288 3.280 20 10 CGCDRO Cc1cccc(O)c1C[NH+]1CC(OCc2ccccc2)C1 ZINC001237488981 819762839 /nfs/dbraw/zinc/76/28/39/819762839.db2.gz BBIIZHXMJSFNBU-UHFFFAOYSA-N 1 0 283.371 3.102 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC001237489833 819764100 /nfs/dbraw/zinc/76/41/00/819764100.db2.gz LGPUOKRRAHVHSC-OAHLLOKOSA-N 1 0 282.387 3.475 20 10 CGCDRO Oc1ccc(-c2ccc(F)cc2)cc1C[NH+]1CCC1 ZINC001237641017 819795854 /nfs/dbraw/zinc/79/58/54/819795854.db2.gz KEJBSYOPTIAMRR-UHFFFAOYSA-N 1 0 257.308 3.404 20 10 CGCDRO COc1cc(C[N@@H+]2CCCCC[C@@H]2C)c(O)c(OC)c1 ZINC001237675285 819803633 /nfs/dbraw/zinc/80/36/33/819803633.db2.gz DEPGMYZUQVJWHO-LBPRGKRZSA-N 1 0 279.380 3.174 20 10 CGCDRO Cc1cc(Cl)cc(CN2CC([NH+]3CCCCC3)C2)c1O ZINC001237687345 819806946 /nfs/dbraw/zinc/80/69/46/819806946.db2.gz XXULBDIBMVJPPX-UHFFFAOYSA-N 1 0 294.826 3.024 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@](C)(O)[C@@H](C)C2)c1O ZINC001237681774 819807472 /nfs/dbraw/zinc/80/74/72/819807472.db2.gz RKEQFRRACNUBBP-LRDDRELGSA-N 1 0 297.826 3.337 20 10 CGCDRO Cc1nc2c(s1)C[N@H+](Cc1cc(F)cc(C)c1O)CC2 ZINC001238061335 819921065 /nfs/dbraw/zinc/92/10/65/819921065.db2.gz GTESFDCVTKYWNI-UHFFFAOYSA-N 1 0 292.379 3.163 20 10 CGCDRO CCC[N@@H+](Cc1cc(F)cc(C)c1O)CC1CC1 ZINC001238059003 819921169 /nfs/dbraw/zinc/92/11/69/819921169.db2.gz XFKNFSAQGYGLQO-UHFFFAOYSA-N 1 0 251.345 3.462 20 10 CGCDRO Cc1cc(F)cc(CN(C)CC(=O)c2ccccc2)c1O ZINC001238071037 819924778 /nfs/dbraw/zinc/92/47/78/819924778.db2.gz QYZNZPNOOBYDHH-UHFFFAOYSA-N 1 0 287.334 3.154 20 10 CGCDRO CCOC(=O)c1cc2c(cc(C)[nH+]c2-c2cccnc2)n1C ZINC001239567891 820418733 /nfs/dbraw/zinc/41/87/33/820418733.db2.gz DTGXPMKBYAMPPU-UHFFFAOYSA-N 1 0 295.342 3.120 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(C2=CCC[N@@H+](C)C2)cn1 ZINC001241570317 821957371 /nfs/dbraw/zinc/95/73/71/821957371.db2.gz HKYBEXNKOQBWLF-UHFFFAOYSA-N 1 0 267.376 3.208 20 10 CGCDRO C[C@H](CC(=O)OC(C)(C)C)[NH2+]Cc1c(O)cccc1Cl ZINC001339017444 936344434 /nfs/dbraw/zinc/34/44/34/936344434.db2.gz MIDVYOIBOKTDTQ-SNVBAGLBSA-N 1 0 299.798 3.256 20 10 CGCDRO COC[C@]1(C)CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001344074775 936525382 /nfs/dbraw/zinc/52/53/82/936525382.db2.gz JZCMFNPSXBLYHN-GOSISDBHSA-N 1 0 288.435 3.145 20 10 CGCDRO CCC[N@H+](Cc1ccc(N)cc1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC001352786750 937049487 /nfs/dbraw/zinc/04/94/87/937049487.db2.gz AAOLZWDJENXEQD-BBWFWOEESA-N 1 0 288.435 3.294 20 10 CGCDRO COc1cccc(C[NH2+]C[C@@H]2CCCC[C@H]2C)c1O ZINC000042857231 928646435 /nfs/dbraw/zinc/64/64/35/928646435.db2.gz KNGAFIKMKCRFRT-OLZOCXBDSA-N 1 0 263.381 3.317 20 10 CGCDRO OCC1([NH2+]Cc2ccc3c(c2)CCO3)CCCCCCC1 ZINC001461698282 937592578 /nfs/dbraw/zinc/59/25/78/937592578.db2.gz VUOFYDWQVSJDCA-UHFFFAOYSA-N 1 0 289.419 3.187 20 10 CGCDRO C[C@@H]1CC[N@H+](C/C=C\c2ccc(N(C)C)cc2)[C@@H]1C ZINC001461884354 937603923 /nfs/dbraw/zinc/60/39/23/937603923.db2.gz AJFYWVWYNXMATK-JBZXTQMFSA-N 1 0 258.409 3.496 20 10 CGCDRO CCC[N@H+](Cc1ccccc1O)C[C@@](C)(OC)C1CC1 ZINC001461956653 937608796 /nfs/dbraw/zinc/60/87/96/937608796.db2.gz HCHCNCKJTJYUES-QGZVFWFLSA-N 1 0 277.408 3.419 20 10 CGCDRO COc1cc(C)c(C[NH2+]C[C@H]2C(C)(C)C2(F)F)c(O)c1 ZINC001474640622 932755708 /nfs/dbraw/zinc/75/57/08/932755708.db2.gz KPCFCOUEESSTEC-ZDUSSCGKSA-N 1 0 285.334 3.090 20 10 CGCDRO CCc1cccc(C[NH2+]C(C)(C)[C@@H]2CCCCO2)c1O ZINC001462516661 937646402 /nfs/dbraw/zinc/64/64/02/937646402.db2.gz DFTDLQPWWDVELP-HNNXBMFYSA-N 1 0 277.408 3.392 20 10 CGCDRO COC1(C[N@@H+]2Cc3cccc(O)c3C2)CCCCCC1 ZINC001462521954 937647228 /nfs/dbraw/zinc/64/72/28/937647228.db2.gz UKYPGLKAGSNMRF-UHFFFAOYSA-N 1 0 275.392 3.447 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC001462534369 937648878 /nfs/dbraw/zinc/64/88/78/937648878.db2.gz OGJWUYMQVULWKD-MSOLQXFVSA-N 1 0 288.435 3.252 20 10 CGCDRO CC(C)OC1(C[NH2+]Cc2ccc(Cl)cc2O)CCC1 ZINC001462562227 937650830 /nfs/dbraw/zinc/65/08/30/937650830.db2.gz MQIFIHLXJIICCU-UHFFFAOYSA-N 1 0 283.799 3.483 20 10 CGCDRO Cc1ccc(C[NH2+][C@H]2C[C@@H](OC(C)C)C2(C)C)c(O)c1 ZINC001308671139 933154104 /nfs/dbraw/zinc/15/41/04/933154104.db2.gz ZZLPLOBJFQXCTQ-JKSUJKDBSA-N 1 0 277.408 3.382 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+][C@@H]2CCOC[C@H]2C)c1 ZINC001308683153 933157778 /nfs/dbraw/zinc/15/77/78/933157778.db2.gz AORSJXTVAHOKRO-IUODEOHRSA-N 1 0 263.381 3.030 20 10 CGCDRO CC[C@@H]1CC[N@H+](Cc2c(C)cc(OC)cc2O)[C@H]1C ZINC001308706221 933163633 /nfs/dbraw/zinc/16/36/33/933163633.db2.gz TWHXWSUDECLVHF-QWHCGFSZSA-N 1 0 263.381 3.330 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](C)c2cc3cnccc3o2)c(O)c1 ZINC001308716356 933164413 /nfs/dbraw/zinc/16/44/13/933164413.db2.gz NPUGIYIEKZKANE-NSHDSACASA-N 1 0 298.342 3.393 20 10 CGCDRO Oc1cc(Cl)ccc1C[NH2+]CCC1(F)CCC1 ZINC001308801994 933178795 /nfs/dbraw/zinc/17/87/95/933178795.db2.gz RORNMQWJSJIIQV-UHFFFAOYSA-N 1 0 257.736 3.418 20 10 CGCDRO CCC[C@@H](C)[C@H](CO)[NH2+]Cc1cc(C(C)C)ccc1O ZINC001308848461 933189380 /nfs/dbraw/zinc/18/93/80/933189380.db2.gz SEWCCTHGCFEZLT-CJNGLKHVSA-N 1 0 279.424 3.402 20 10 CGCDRO CO[C@H](C)C[NH2+]CCc1cc(C)n(-c2ccccc2)c1C ZINC001308889160 933197304 /nfs/dbraw/zinc/19/73/04/933197304.db2.gz DNFYAJNRXVPDQJ-OAHLLOKOSA-N 1 0 286.419 3.261 20 10 CGCDRO CCC[C@@H](CCO)[NH2+]Cc1cc(C(C)C)ccc1O ZINC001308899917 933199318 /nfs/dbraw/zinc/19/93/18/933199318.db2.gz NWPREOSJRJFMAS-HNNXBMFYSA-N 1 0 265.397 3.156 20 10 CGCDRO C[C@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)CC(C)(C)O1 ZINC001319706064 933919588 /nfs/dbraw/zinc/91/95/88/933919588.db2.gz TWXWBAICIHAVGN-HNNXBMFYSA-N 1 0 288.435 3.286 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CCNc1ccccn1 ZINC001321024786 934135894 /nfs/dbraw/zinc/13/58/94/934135894.db2.gz VOBITRDCWQYSHD-ZIAGYGMSSA-N 1 0 297.402 3.346 20 10 CGCDRO Cc1nccn1CCC[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC001321023102 934136076 /nfs/dbraw/zinc/13/60/76/934136076.db2.gz KLOTVBJOKVTLIA-HIFRSBDPSA-N 1 0 299.418 3.434 20 10 CGCDRO COc1ccc(N2CCC([NH2+][C@H]3C=CCCC3)CC2)cc1 ZINC001324039073 934452268 /nfs/dbraw/zinc/45/22/68/934452268.db2.gz IYMJJVMOBQUNHQ-HNNXBMFYSA-N 1 0 286.419 3.362 20 10 CGCDRO C[NH2+][C@@H](C)CC[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC001326473700 934981964 /nfs/dbraw/zinc/98/19/64/934981964.db2.gz NVKQAWVPAPCHRG-DTWKUNHWSA-N 1 0 291.222 3.348 20 10 CGCDRO CCC[C@@H](C)[C@H](CO)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001327271243 935049334 /nfs/dbraw/zinc/04/93/34/935049334.db2.gz WYSUBOVIYSMLDA-QAPCUYQASA-N 1 0 290.451 3.174 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@H]2C[C@@H]3[C@H](C2)C3(F)F)cc1F ZINC001330768051 935320905 /nfs/dbraw/zinc/32/09/05/935320905.db2.gz WFLYJFYRNBWQCP-ZSBIGDGJSA-N 1 0 284.325 3.025 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@H](CN)C1CCCC1 ZINC001331835090 935413300 /nfs/dbraw/zinc/41/33/00/935413300.db2.gz PRIOESUIAHGDTH-BPLDGKMQSA-N 1 0 288.435 3.356 20 10 CGCDRO c1cc2c(cc1C[NH2+]C1(C3CC3)CCOCC1)CCCO2 ZINC001333505975 935541566 /nfs/dbraw/zinc/54/15/66/935541566.db2.gz ZKHCPSHNMVOPAC-UHFFFAOYSA-N 1 0 287.403 3.060 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCOC12CCCC2 ZINC001335133805 936131230 /nfs/dbraw/zinc/13/12/30/936131230.db2.gz LCGLBKKJLKQWDY-QGZVFWFLSA-N 1 0 288.435 3.252 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H](C)C[C@H]2C)c(O)c1OC ZINC001336722295 936210499 /nfs/dbraw/zinc/21/04/99/936210499.db2.gz OOVKFFIGHPNWPN-YRGRVCCFSA-N 1 0 293.407 3.324 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CC(C)(C)C2(C)C)c1 ZINC001337032552 936233070 /nfs/dbraw/zinc/23/30/70/936233070.db2.gz HUZDDKSOJQKGHJ-UHFFFAOYSA-N 1 0 263.381 3.411 20 10 CGCDRO CS[C@@H]1CC[C@H]([N@H+](C)Cc2ccccc2O)C1 ZINC001337074200 936234425 /nfs/dbraw/zinc/23/44/25/936234425.db2.gz ZAAOIWDOGHTUBR-QWHCGFSZSA-N 1 0 251.395 3.108 20 10 CGCDRO COc1cccc2c1CC[C@H]2[NH2+]Cc1ccc(N)cc1 ZINC001337837800 936293455 /nfs/dbraw/zinc/29/34/55/936293455.db2.gz FZEAOPOIOAFTPG-MRXNPFEDSA-N 1 0 268.360 3.055 20 10 CGCDRO C[N@H+](CC[C@H]1CCOC1)Cc1ccc(N2CCCC2)cc1 ZINC001474506419 937863959 /nfs/dbraw/zinc/86/39/59/937863959.db2.gz YRSVMXBDRVTEJY-KRWDZBQOSA-N 1 0 288.435 3.145 20 10 CGCDRO CCC[N@H+](CCN1CCCC1)Cc1ccc(C)cc1O ZINC001474517843 937864533 /nfs/dbraw/zinc/86/45/33/937864533.db2.gz WENNZVVDYKGMSU-UHFFFAOYSA-N 1 0 276.424 3.008 20 10 CGCDRO Cc1ccc(C[NH2+][C@]2(CO)CCCC(C)(C)C2)c(O)c1 ZINC001474631763 937871554 /nfs/dbraw/zinc/87/15/54/937871554.db2.gz CAOCJEBEFSGTDB-QGZVFWFLSA-N 1 0 277.408 3.122 20 10 CGCDRO COc1cc(C)c(C[NH2+]C[C@@H]2CCC(C)(C)CO2)c(O)c1 ZINC001474685279 937875364 /nfs/dbraw/zinc/87/53/64/937875364.db2.gz ORAYJPRKGFHOBK-ZDUSSCGKSA-N 1 0 293.407 3.004 20 10 CGCDRO Oc1cc(Cl)ccc1C[NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC001474694439 937875858 /nfs/dbraw/zinc/87/58/58/937875858.db2.gz DBURRCFHHGHYNT-VZJVUDMVSA-N 1 0 281.783 3.093 20 10 CGCDRO CCN(C)c1ccc(C[NH2+]C2([C@H]3CCCO3)CCC2)cc1 ZINC001560227660 938248036 /nfs/dbraw/zinc/24/80/36/938248036.db2.gz SXFUZWFGSBDKPE-QGZVFWFLSA-N 1 0 288.435 3.334 20 10 CGCDRO c1nc(C2CC2)sc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC001560302945 938251960 /nfs/dbraw/zinc/25/19/60/938251960.db2.gz QMPIVGCWSKXUQJ-UHFFFAOYSA-N 1 0 286.400 3.245 20 10 CGCDRO CCN1CCCC[C@H]1C[NH2+]Cc1c(O)cc(C)cc1Cl ZINC001560329951 938253511 /nfs/dbraw/zinc/25/35/11/938253511.db2.gz YTXXQVIPWBVPTC-ZDUSSCGKSA-N 1 0 296.842 3.318 20 10 CGCDRO CC(C)(C)[C@H]1CC[N@H+](Cc2ccc(Cl)cc2O)C[C@H]1O ZINC001560720158 938272152 /nfs/dbraw/zinc/27/21/52/938272152.db2.gz LLXHEMNKFJLHHC-DZGCQCFKSA-N 1 0 297.826 3.275 20 10 CGCDRO CC[C@]1(C)C[N@H+](C/C=C\c2ccc(N(C)C)cc2)CCO1 ZINC001560761177 938274222 /nfs/dbraw/zinc/27/42/22/938274222.db2.gz BJFBHGFWXQORJW-HPFMTEOYSA-N 1 0 288.435 3.267 20 10 CGCDRO CC[C@]1(C)C[N@H+](C/C=C/c2ccc(N(C)C)cc2)CCO1 ZINC001560761178 938274392 /nfs/dbraw/zinc/27/43/92/938274392.db2.gz BJFBHGFWXQORJW-IPLHWJFFSA-N 1 0 288.435 3.267 20 10 CGCDRO CCC[N@H+](CCN1CCCC1)Cc1cccc(CC)c1O ZINC001560823515 938278020 /nfs/dbraw/zinc/27/80/20/938278020.db2.gz JGCVRRZFVFTTHL-UHFFFAOYSA-N 1 0 290.451 3.262 20 10 CGCDRO COC1(C[NH2+]Cc2cc(C(C)C)ccc2O)CCC1 ZINC001560887000 938281938 /nfs/dbraw/zinc/28/19/38/938281938.db2.gz DZFQSXIFVRPHIA-UHFFFAOYSA-N 1 0 263.381 3.174 20 10 CGCDRO Oc1cc(Cl)ccc1C[NH2+][C@@H]1CCOCC12CCCC2 ZINC001561050635 938291851 /nfs/dbraw/zinc/29/18/51/938291851.db2.gz CAOGZZYMWVNIKD-OAHLLOKOSA-N 1 0 295.810 3.485 20 10 CGCDRO Nc1ccc(C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)cc1 ZINC001580445630 962725332 /nfs/dbraw/zinc/72/53/32/962725332.db2.gz MYFLYBKASKYENH-MRXNPFEDSA-N 1 0 272.779 3.179 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+][C@@H]2Cc3ccccc3[C@H]2O)c1 ZINC001621560632 1126246740 /nfs/dbraw/zinc/24/67/40/1126246740.db2.gz SPDRAUKGCPRNGV-IEBWSBKVSA-N 1 0 297.398 3.264 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](C)COC)c1ccc(C)cc1O ZINC000280011210 522605797 /nfs/dbraw/zinc/60/57/97/522605797.db2.gz GSLQOXSMIQEPQE-OCCSQVGLSA-N 1 0 251.370 3.024 20 10 CGCDRO Oc1cc(Br)ccc1C[NH2+]CCC(F)(F)F ZINC000691463196 799784127 /nfs/dbraw/zinc/78/41/27/799784127.db2.gz BSSISRGSEKGVCK-UHFFFAOYSA-N 1 0 298.102 3.197 20 10 CGCDRO COCCCCC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000122660834 370906338 /nfs/dbraw/zinc/90/63/38/370906338.db2.gz HYIHJIYFORXICT-AWEZNQCLSA-N 1 0 264.413 3.220 20 10 CGCDRO C[C@H]([NH2+]C[C@@H](c1ccccc1)N(C)C)c1ccccc1O ZINC000020093968 368802285 /nfs/dbraw/zinc/80/22/85/368802285.db2.gz DTPMLBOLCLSPLZ-YOEHRIQHSA-N 1 0 284.403 3.346 20 10 CGCDRO CCOCC[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000036229019 369013764 /nfs/dbraw/zinc/01/37/64/369013764.db2.gz TWTZGANKMAVTTF-LBPRGKRZSA-N 1 0 259.349 3.233 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@]2(C)CCCS2)c1 ZINC000133937872 371289684 /nfs/dbraw/zinc/28/96/84/371289684.db2.gz DVAHRCSOMCDXAY-XHDPSFHLSA-N 1 0 281.421 3.337 20 10 CGCDRO CC[C@H]([NH2+]C[C@H]1CCOC[C@H]1C)c1ccc(N(C)C)cc1 ZINC000286934789 371576505 /nfs/dbraw/zinc/57/65/05/371576505.db2.gz AWUWNGDWCROHCF-KYJSFNMBSA-N 1 0 290.451 3.466 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCOC[C@H]2C)c1 ZINC000286941359 371577837 /nfs/dbraw/zinc/57/78/37/371577837.db2.gz BDWHJAPDCUZVDU-RDBSUJKOSA-N 1 0 263.381 3.024 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1CCOC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000287462230 371659964 /nfs/dbraw/zinc/65/99/64/371659964.db2.gz LZHLXNTZWYNBPA-OFQRWUPVSA-N 1 0 276.424 3.076 20 10 CGCDRO CCOc1cccc(C[NH2+]C[C@@H]2COc3ccccc32)c1O ZINC000288549084 371739818 /nfs/dbraw/zinc/73/98/18/371739818.db2.gz LHGQYABFLAQLOF-CQSZACIVSA-N 1 0 299.370 3.057 20 10 CGCDRO C[NH+](C)Cc1ccnc(NCc2c(O)cccc2Cl)c1 ZINC000157468127 372021370 /nfs/dbraw/zinc/02/13/70/372021370.db2.gz QMCGPAYTMGIPHA-UHFFFAOYSA-N 1 0 291.782 3.114 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CC2CC(F)(F)C2)c(O)c1 ZINC000293827066 372494537 /nfs/dbraw/zinc/49/45/37/372494537.db2.gz WHUZYLPLAJAFLQ-SNVBAGLBSA-N 1 0 255.308 3.397 20 10 CGCDRO COCC1(CC[NH2+][C@H](C)c2cc(F)ccc2O)CCC1 ZINC000293858042 372503157 /nfs/dbraw/zinc/50/31/57/372503157.db2.gz YUIADQXJSXFZAA-GFCCVEGCSA-N 1 0 281.371 3.389 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC2CCSCC2)c1 ZINC000168773626 372618801 /nfs/dbraw/zinc/61/88/01/372618801.db2.gz AZNUHTNFFKNPAJ-NSHDSACASA-N 1 0 281.421 3.195 20 10 CGCDRO CCC[C@@H](O)C[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000168772220 372619203 /nfs/dbraw/zinc/61/92/03/372619203.db2.gz NBGZXKNWTOSGAF-TZMCWYRMSA-N 1 0 273.376 3.357 20 10 CGCDRO Cc1cc(O)c(C[N@@H+](C)[C@H](CO)c2ccccc2)cc1C ZINC000295126058 372694768 /nfs/dbraw/zinc/69/47/68/372694768.db2.gz XHULZRRZLWOKBA-QGZVFWFLSA-N 1 0 285.387 3.174 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2CCc3cccc(O)c32)cc1F ZINC000296214865 373055685 /nfs/dbraw/zinc/05/56/85/373055685.db2.gz ZPSHNWJWTHMMBA-AWEZNQCLSA-N 1 0 287.334 3.317 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1ccccn1 ZINC000296167703 373042525 /nfs/dbraw/zinc/04/25/25/373042525.db2.gz XOZSGMZODJSWRW-BXUZGUMPSA-N 1 0 254.333 3.125 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+][C@@H](C)CC(C)(C)O)c(O)c1 ZINC000296284078 373079841 /nfs/dbraw/zinc/07/98/41/373079841.db2.gz FDLQIILSROKSMH-QWHCGFSZSA-N 1 0 265.397 3.209 20 10 CGCDRO C[C@H](CCCO)C[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000296376474 373111541 /nfs/dbraw/zinc/11/15/41/373111541.db2.gz JKVYUGNAHVIMRA-ZIAGYGMSSA-N 1 0 291.435 3.330 20 10 CGCDRO CCSCCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296568737 373179568 /nfs/dbraw/zinc/17/95/68/373179568.db2.gz UXMWQSYDMGOCCB-LBPRGKRZSA-N 1 0 251.395 3.112 20 10 CGCDRO CC[C@@H](COCC(F)(F)F)[NH2+][C@@H](C)c1ccccc1O ZINC000296631587 373201838 /nfs/dbraw/zinc/20/18/38/373201838.db2.gz BKELLYRUBCSCSK-QWRGUYRKSA-N 1 0 291.313 3.400 20 10 CGCDRO CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296714104 373226976 /nfs/dbraw/zinc/22/69/76/373226976.db2.gz IIXAPGGSGADVCH-VKJFTORMSA-N 1 0 289.419 3.420 20 10 CGCDRO CCc1ccc([C@@H](O)C[NH2+][C@@H]2CCc3cccc(O)c32)cc1 ZINC000297298299 373266319 /nfs/dbraw/zinc/26/63/19/373266319.db2.gz MEYJTQDTKPDJPI-AEFFLSMTSA-N 1 0 297.398 3.265 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)cc1 ZINC000298311745 373295048 /nfs/dbraw/zinc/29/50/48/373295048.db2.gz QHUNMXZCQRGNOP-CABCVRRESA-N 1 0 280.362 3.230 20 10 CGCDRO Oc1ccc2ccccc2c1CN1CCC[N@@H+]2CCC[C@H]2C1 ZINC000317062585 374337861 /nfs/dbraw/zinc/33/78/61/374337861.db2.gz MAPQHGZTDQVWKQ-INIZCTEOSA-N 1 0 296.414 3.216 20 10 CGCDRO C[C@@H](C[N@H+](C)Cc1ccc(N(C)C)cc1)c1nccs1 ZINC000183255164 374393652 /nfs/dbraw/zinc/39/36/52/374393652.db2.gz RXPIEZWTZSHMEO-ZDUSSCGKSA-N 1 0 289.448 3.445 20 10 CGCDRO C[C@@H]([NH2+]CCOc1ccc(Cl)cn1)c1ccccc1O ZINC000183617954 374435036 /nfs/dbraw/zinc/43/50/36/374435036.db2.gz YNJRMRMLUIZCSJ-LLVKDONJSA-N 1 0 292.766 3.170 20 10 CGCDRO CC(C)C[C@H](CCO)C[NH2+][C@@H](C)c1ccccc1O ZINC000183539117 374424940 /nfs/dbraw/zinc/42/49/40/374424940.db2.gz VFKLEQLDLKUPFS-KBPBESRZSA-N 1 0 265.397 3.088 20 10 CGCDRO C[C@H](c1cccnc1)[N@H+](C)Cc1cc(F)ccc1O ZINC000183724130 374447034 /nfs/dbraw/zinc/44/70/34/374447034.db2.gz NQIHYEFXBPXOIJ-LLVKDONJSA-N 1 0 260.312 3.119 20 10 CGCDRO C[C@H]([NH2+]C[C@H](O)c1ccccc1)c1cc(Cl)ccc1O ZINC000184854966 374565247 /nfs/dbraw/zinc/56/52/47/374565247.db2.gz OPOGNFCHJOVNBU-ZBEGNZNMSA-N 1 0 291.778 3.430 20 10 CGCDRO Cc1nccnc1[C@H](C)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000187761542 375089755 /nfs/dbraw/zinc/08/97/55/375089755.db2.gz VIRZEYZUTZDTJI-HNNXBMFYSA-N 1 0 296.418 3.236 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+]2CC=C(COC)CC2)cc1 ZINC000187622385 375059987 /nfs/dbraw/zinc/05/99/87/375059987.db2.gz MGMVFGLHZBWUTC-UHFFFAOYSA-N 1 0 288.435 3.311 20 10 CGCDRO C[C@H]([NH2+]C[C@@](C)(O)C1CCCCC1)c1ccccc1O ZINC000188670963 375250129 /nfs/dbraw/zinc/25/01/29/375250129.db2.gz RJXDUZLIPFLWND-SUMWQHHRSA-N 1 0 277.408 3.374 20 10 CGCDRO CCOC[C@H]([NH2+][C@H](C)c1ccccc1O)C(C)C ZINC000189356361 375374426 /nfs/dbraw/zinc/37/44/26/375374426.db2.gz KMRDXXYZVSXLSK-OCCSQVGLSA-N 1 0 251.370 3.104 20 10 CGCDRO C[C@@](O)(CC[NH2+]Cc1ccc2c(c1)CCO2)c1ccccc1 ZINC000189850442 375452697 /nfs/dbraw/zinc/45/26/97/375452697.db2.gz CWEGRDWXNKBUBC-LJQANCHMSA-N 1 0 297.398 3.009 20 10 CGCDRO C[C@@H](N[C@H]1CC[NH2+]C12CCC2)c1ccc2ccccc2c1O ZINC000530217399 375939830 /nfs/dbraw/zinc/93/98/30/375939830.db2.gz SSRXUGDRSOVMIE-DYVFJYSZSA-N 1 0 296.414 3.481 20 10 CGCDRO CC(C)(C)[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)CCO1 ZINC000270700471 378390730 /nfs/dbraw/zinc/39/07/30/378390730.db2.gz YADJOXJXCNMASN-NVXWUHKLSA-N 1 0 289.419 3.305 20 10 CGCDRO Cc1cccc(C[NH2+][C@H](C)[C@@H](O)c2cccc(F)c2)c1O ZINC000271798537 378504321 /nfs/dbraw/zinc/50/43/21/378504321.db2.gz INFYZSFCMXZOFD-SJKOYZFVSA-N 1 0 289.350 3.051 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)c1 ZINC000271794303 378504929 /nfs/dbraw/zinc/50/49/29/378504929.db2.gz HRCKNABSGXABIB-XJKSGUPXSA-N 1 0 293.407 3.084 20 10 CGCDRO Cc1nccn1CC[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000273620513 378757375 /nfs/dbraw/zinc/75/73/75/378757375.db2.gz YUJQZAXYBZIWNB-ZDUSSCGKSA-N 1 0 299.418 3.127 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCC[C@@H]2OC)c1 ZINC000273368697 378742597 /nfs/dbraw/zinc/74/25/97/378742597.db2.gz BWUORELRNWWERF-PJODQICGSA-N 1 0 279.380 3.009 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCc2cccnc2)c(O)c1C ZINC000273407012 378745539 /nfs/dbraw/zinc/74/55/39/378745539.db2.gz OQMGJIKGSVGQNU-AWEZNQCLSA-N 1 0 270.376 3.297 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)c2ccccc2)c(O)c1C ZINC000273433928 378746752 /nfs/dbraw/zinc/74/67/52/378746752.db2.gz WLPIMCSPTCFJLW-YOEHRIQHSA-N 1 0 285.387 3.393 20 10 CGCDRO CCn1cc(C[NH2+][C@@H](C)c2cc(Cl)ccc2O)cn1 ZINC000273451857 378747750 /nfs/dbraw/zinc/74/77/50/378747750.db2.gz GGGHNVICCKAJLL-JTQLQIEISA-N 1 0 279.771 3.113 20 10 CGCDRO Cc1n[nH]cc1C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000273470730 378747824 /nfs/dbraw/zinc/74/78/24/378747824.db2.gz JOWSXFJHFPZPJL-LBPRGKRZSA-N 1 0 285.391 3.153 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](C)N(C)C2CC2)c(O)c1C ZINC000273465152 378748753 /nfs/dbraw/zinc/74/87/53/378748753.db2.gz DOVMUGXJMIEQNO-OCCSQVGLSA-N 1 0 276.424 3.142 20 10 CGCDRO CCC[C@H](CCO)C[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000273607209 378756123 /nfs/dbraw/zinc/75/61/23/378756123.db2.gz UNCHHFZENCRBJI-LSDHHAIUSA-N 1 0 279.424 3.458 20 10 CGCDRO Cc1nnc([C@@H](C)[NH2+][C@H](C)c2ccc(C)cc2O)s1 ZINC000274122027 378780173 /nfs/dbraw/zinc/78/01/73/378780173.db2.gz AUEXTJBDHWPSKA-NXEZZACHSA-N 1 0 277.393 3.272 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@]3(C2)CCCOC3)c1O ZINC000375300372 379490518 /nfs/dbraw/zinc/49/05/18/379490518.db2.gz AGPKGGBCUPADLN-INIZCTEOSA-N 1 0 295.810 3.357 20 10 CGCDRO COCC1(C[NH2+][C@H](C)c2cc(C)ccc2O)CCC1 ZINC000282413125 379914241 /nfs/dbraw/zinc/91/42/41/379914241.db2.gz CIWGMWDLOCZMEF-CYBMUJFWSA-N 1 0 263.381 3.168 20 10 CGCDRO COc1ccc(O)c(C[NH2+]Cc2cc(C)cc(Cl)n2)c1 ZINC000282620796 379957523 /nfs/dbraw/zinc/95/75/23/379957523.db2.gz XVUXPRONLRCHFV-UHFFFAOYSA-N 1 0 292.766 3.047 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+][C@H](CCO)c2ccco2)c(O)c1 ZINC000284910039 380143223 /nfs/dbraw/zinc/14/32/23/380143223.db2.gz CPCIHJYTSJTKKA-ZIAGYGMSSA-N 1 0 289.375 3.376 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]CC2([C@@H](O)C(C)C)CC2)c(O)c1 ZINC000285123498 380145460 /nfs/dbraw/zinc/14/54/60/380145460.db2.gz LCWSIODXBHVOPD-YOEHRIQHSA-N 1 0 291.435 3.457 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@H]2CCC[C@H]2CCO)c(O)c1 ZINC000285407053 380148197 /nfs/dbraw/zinc/14/81/97/380148197.db2.gz XMAJSVIITJFQEA-KKUMJFAQSA-N 1 0 277.408 3.211 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCCC(C)(C)CO)c(O)c1 ZINC000284074120 380122502 /nfs/dbraw/zinc/12/25/02/380122502.db2.gz LLUDPIGEECNZKY-AWEZNQCLSA-N 1 0 279.424 3.458 20 10 CGCDRO CCOc1ccc(C[NH2+]CCSC(F)(F)F)c(O)c1 ZINC000725848266 572440280 /nfs/dbraw/zinc/44/02/80/572440280.db2.gz ZIHGXKNBPDWYEJ-UHFFFAOYSA-N 1 0 295.326 3.134 20 10 CGCDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1cccn1C ZINC000355121377 380584721 /nfs/dbraw/zinc/58/47/21/380584721.db2.gz IGCDQVJMLWVWNM-UHFFFAOYSA-N 1 0 267.376 3.115 20 10 CGCDRO CN(Cc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000364296580 382269392 /nfs/dbraw/zinc/26/93/92/382269392.db2.gz CPBMMFVZDYLWFS-SFHVURJKSA-N 1 0 296.414 3.099 20 10 CGCDRO C/C=C/C[C@@H](CO)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000186512058 262096239 /nfs/dbraw/zinc/09/62/39/262096239.db2.gz OUOXLDQVJZESJJ-BMPPAVAUSA-N 1 0 269.772 3.023 20 10 CGCDRO CCOC[C@H]1CCC[N@H+](Cc2cc(OCC)ccc2O)C1 ZINC000093419440 392237191 /nfs/dbraw/zinc/23/71/91/392237191.db2.gz MRDPSPJWNOFWQW-AWEZNQCLSA-N 1 0 293.407 3.039 20 10 CGCDRO COc1ccc(C[NH2+][C@H](C)c2ccccc2O)c(OC)c1 ZINC000109553741 392365710 /nfs/dbraw/zinc/36/57/10/392365710.db2.gz KHHVTEOGFYMYSC-GFCCVEGCSA-N 1 0 287.359 3.260 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1cncc(F)c1 ZINC000122467315 392422581 /nfs/dbraw/zinc/42/25/81/392422581.db2.gz YIMFIHFLAWDSQS-LLVKDONJSA-N 1 0 291.345 3.277 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2CC[C@@H](CO)CC2)cc1 ZINC000120193250 392400194 /nfs/dbraw/zinc/40/01/94/392400194.db2.gz VIKNDGFZHFKUPC-BFYDXBDKSA-N 1 0 290.451 3.344 20 10 CGCDRO CC[C@H]([NH2+]C[C@@](C)(O)c1ccccc1)c1ccccc1O ZINC000121100611 392409351 /nfs/dbraw/zinc/40/93/51/392409351.db2.gz KLPYWKVCSCKDRQ-FUHWJXTLSA-N 1 0 285.387 3.341 20 10 CGCDRO COCc1cccc(C[NH2+]Cc2cccc(C)c2O)c1 ZINC000158106301 392554163 /nfs/dbraw/zinc/55/41/63/392554163.db2.gz ALUAFRXDBXXICJ-UHFFFAOYSA-N 1 0 271.360 3.137 20 10 CGCDRO COCCC[C@H](C)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000177975281 392670435 /nfs/dbraw/zinc/67/04/35/392670435.db2.gz ACGIEKSAUVJMRJ-HNNXBMFYSA-N 1 0 276.424 3.192 20 10 CGCDRO C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1Cc1ccccc1O ZINC000179568480 392704377 /nfs/dbraw/zinc/70/43/77/392704377.db2.gz LNKBDYHLDPLBKZ-KDOFPFPSSA-N 1 0 283.371 3.354 20 10 CGCDRO C[C@H]([NH2+]CC[C@@](C)(O)c1ccccc1)c1ccccc1O ZINC000187894927 392796292 /nfs/dbraw/zinc/79/62/92/392796292.db2.gz BEJUFEIAZKMVOE-KBXCAEBGSA-N 1 0 285.387 3.341 20 10 CGCDRO CCCN(Cc1cnn2ccccc12)c1ccc(C[NH3+])cc1 ZINC000194977911 392949535 /nfs/dbraw/zinc/94/95/35/392949535.db2.gz JJBNZSYWEUNUQN-UHFFFAOYSA-N 1 0 294.402 3.210 20 10 CGCDRO Cc1c2ccccc2n(C)c1CNC(=[NH2+])N1CCC(C)CC1 ZINC000358877806 393528664 /nfs/dbraw/zinc/52/86/64/393528664.db2.gz FXIAVZHPIIJBRX-UHFFFAOYSA-N 1 0 298.434 3.243 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCc3nn(C)cc32)c(O)c1C ZINC000282489784 292196748 /nfs/dbraw/zinc/19/67/48/292196748.db2.gz QXVPWLXTGJFNQO-CJNGLKHVSA-N 1 0 299.418 3.471 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](c2ccco2)N(C)C)c(O)c1 ZINC000020122444 171002634 /nfs/dbraw/zinc/00/26/34/171002634.db2.gz IOVXRJGDZPIRTL-HIFRSBDPSA-N 1 0 288.391 3.247 20 10 CGCDRO Cc1cccc(C[NH2+]Cc2ccc(N(C)C)cc2)c1 ZINC000020133832 171021679 /nfs/dbraw/zinc/02/16/79/171021679.db2.gz PLSSYWDHQGBJNV-UHFFFAOYSA-N 1 0 254.377 3.351 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](CC(C)C)N(C)C)c1 ZINC000020201546 171065601 /nfs/dbraw/zinc/06/56/01/171065601.db2.gz CJLFNOIDDIYNNF-UONOGXRCSA-N 1 0 294.439 3.028 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](CC(C)C)N(C)C)c(O)c1 ZINC000020201844 171066052 /nfs/dbraw/zinc/06/60/52/171066052.db2.gz KIERDKFTSAZEGA-LSDHHAIUSA-N 1 0 278.440 3.328 20 10 CGCDRO Cc1csc(C[NH2+]Cc2cc(Cl)ccc2O)n1 ZINC000038090676 174104108 /nfs/dbraw/zinc/10/41/08/174104108.db2.gz KBMGMDMBQKADOZ-UHFFFAOYSA-N 1 0 268.769 3.100 20 10 CGCDRO C[C@H](CCO)[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000151955411 261057276 /nfs/dbraw/zinc/05/72/76/261057276.db2.gz UBVJHPBQEIWINB-HZPDHXFCSA-N 1 0 290.451 3.489 20 10 CGCDRO CCCCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000152207182 261061893 /nfs/dbraw/zinc/06/18/93/261061893.db2.gz QNJQJMMNWYMUSE-HNNXBMFYSA-N 1 0 276.424 3.364 20 10 CGCDRO CC(C)[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000159011808 261175750 /nfs/dbraw/zinc/17/57/50/261175750.db2.gz VAFVBVUIIQIUFO-HUUCEWRRSA-N 1 0 276.424 3.218 20 10 CGCDRO CC(C)[C@@H](CO)[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000162726694 261291888 /nfs/dbraw/zinc/29/18/88/261291888.db2.gz KGTGQHJCTVABJW-CRAIPNDOSA-N 1 0 290.451 3.344 20 10 CGCDRO CCC(CC)(CCO)C[NH2+][C@@H](C)c1ccccc1O ZINC000183540264 261979379 /nfs/dbraw/zinc/97/93/79/261979379.db2.gz OLCAXQQQLMKBFP-ZDUSSCGKSA-N 1 0 265.397 3.232 20 10 CGCDRO CSCCCCC[NH2+]Cc1cc(C)ccc1O ZINC000185162150 262044113 /nfs/dbraw/zinc/04/41/13/262044113.db2.gz HCAYZTSFWJOURD-UHFFFAOYSA-N 1 0 253.411 3.324 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)c2cccc(F)c2)c(O)c1 ZINC000185162916 262044311 /nfs/dbraw/zinc/04/43/11/262044311.db2.gz YIWLUJJWFDLGRJ-YVEFUNNKSA-N 1 0 289.350 3.224 20 10 CGCDRO COc1cccc(C[NH2+][C@H]2CCCO[C@H]2CC(C)C)c1O ZINC000185191804 262045145 /nfs/dbraw/zinc/04/51/45/262045145.db2.gz CHSVTIFKIMKNTA-HOCLYGCPSA-N 1 0 293.407 3.084 20 10 CGCDRO CCC(O)(CC)C[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000185231334 262047344 /nfs/dbraw/zinc/04/73/44/262047344.db2.gz MIVPKHORZUXEON-JTQLQIEISA-N 1 0 271.788 3.247 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@]2(C)CCCC[C@@H]2O)c(O)c1 ZINC000185644313 262063474 /nfs/dbraw/zinc/06/34/74/262063474.db2.gz TVAJSEXIEITNDG-XOKHGSTOSA-N 1 0 277.408 3.292 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@]2(C)CCCC[C@@H]2O)c1 ZINC000185644006 262063836 /nfs/dbraw/zinc/06/38/36/262063836.db2.gz YWJGGXOTRFUAGW-JQFCIGGWSA-N 1 0 277.408 3.292 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@]2(O)CCc3ccccc32)c1 ZINC000186165536 262083100 /nfs/dbraw/zinc/08/31/00/262083100.db2.gz UJFMGJDZAIQPIO-LIRRHRJNSA-N 1 0 297.398 3.185 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2cccc(O)c2)c1 ZINC000185300053 262304591 /nfs/dbraw/zinc/30/45/91/262304591.db2.gz NUJNYBBIMXLENX-LBPRGKRZSA-N 1 0 257.333 3.257 20 10 CGCDRO Oc1ccc(F)cc1C[N@H+](Cc1ccccn1)C1CC1 ZINC000290605155 263117895 /nfs/dbraw/zinc/11/78/95/263117895.db2.gz WDIXBCJKTWFQAO-UHFFFAOYSA-N 1 0 272.323 3.091 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](C)[C@H](O)c2ccccc2)cc1C ZINC000288443820 264666104 /nfs/dbraw/zinc/66/61/04/264666104.db2.gz CMMQADKCVZUFKH-KSSFIOAISA-N 1 0 285.387 3.215 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c1O ZINC000367689369 267109701 /nfs/dbraw/zinc/10/97/01/267109701.db2.gz UXCXDEFYVJWUJM-CVEARBPZSA-N 1 0 289.419 3.339 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](Oc3ccccc3)C2)c1 ZINC000367723830 267113014 /nfs/dbraw/zinc/11/30/14/267113014.db2.gz NEIOAIQMRSPGAR-QGZVFWFLSA-N 1 0 299.370 3.054 20 10 CGCDRO COCC[C@@H]1CCCC[N@H+](Cc2ccccc2O)C1 ZINC000368666436 267196046 /nfs/dbraw/zinc/19/60/46/267196046.db2.gz LSQCBQWKYOJGGG-AWEZNQCLSA-N 1 0 263.381 3.031 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)CC(C)(C)O)c1ccc(N(C)C)cc1 ZINC000296638101 288076975 /nfs/dbraw/zinc/07/69/75/288076975.db2.gz XXVLBZBUXUYMHX-CJNGLKHVSA-N 1 0 278.440 3.343 20 10 CGCDRO Cc1ccccc1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296042598 281343906 /nfs/dbraw/zinc/34/39/06/281343906.db2.gz QRHCFNXEOWOJOU-OAHLLOKOSA-N 1 0 253.345 3.478 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCc2cccc(O)c21)[C@H](O)c1ccccc1 ZINC000297225009 290058608 /nfs/dbraw/zinc/05/86/08/290058608.db2.gz HLRKQFIHZXINMS-QITLCBANSA-N 1 0 283.371 3.091 20 10 CGCDRO C[C@@H]([NH2+]C1CCSCC1)c1ccc(N(C)C)cc1 ZINC000163262248 327708740 /nfs/dbraw/zinc/70/87/40/327708740.db2.gz TXFQUAOALMMHPF-GFCCVEGCSA-N 1 0 264.438 3.299 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1O)c1cc2c(cc1O)CCCC2 ZINC000186791675 327854362 /nfs/dbraw/zinc/85/43/62/327854362.db2.gz MYPKNVGCORWESO-CSMYWGQOSA-N 1 0 289.419 3.225 20 10 CGCDRO CCN(CC)c1ccc(C[NH+]2CCC(O)(CC)CC2)cc1 ZINC000271164378 328195668 /nfs/dbraw/zinc/19/56/68/328195668.db2.gz BQEHNPFDODXAJW-UHFFFAOYSA-N 1 0 290.451 3.270 20 10 CGCDRO COc1ccc(C[N@H+](C)Cc2ccccc2O)cc1 ZINC000091956816 327188098 /nfs/dbraw/zinc/18/80/98/327188098.db2.gz NHRFNTUAJFRKOH-UHFFFAOYSA-N 1 0 257.333 3.033 20 10 CGCDRO Cc1cc(Cl)cc(CN2CC[C@@H]([NH+]3CCCC3)C2)c1O ZINC000179949701 329213639 /nfs/dbraw/zinc/21/36/39/329213639.db2.gz VVWPCTMPGOQRKZ-OAHLLOKOSA-N 1 0 294.826 3.024 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccccc1-n1ccnc1)c1ccccc1O ZINC000183444092 329247927 /nfs/dbraw/zinc/24/79/27/329247927.db2.gz BDBNSGBLYVUYRE-CQSZACIVSA-N 1 0 293.370 3.429 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(c3ccccn3)C2)c(O)c1 ZINC000186171935 329338971 /nfs/dbraw/zinc/33/89/71/329338971.db2.gz CABKQQRUNCRVGG-GJZGRUSLSA-N 1 0 297.402 3.025 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CC[C@H]2CCCOC2)c(O)c1 ZINC000527925126 330296546 /nfs/dbraw/zinc/29/65/46/330296546.db2.gz IAHAOISQVOSHCH-UONOGXRCSA-N 1 0 263.381 3.168 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCCOC2)c2c1c(F)ccc2O ZINC000527935735 330297886 /nfs/dbraw/zinc/29/78/86/330297886.db2.gz YOXFFSUFXRGOEI-MBNYWOFBSA-N 1 0 293.382 3.486 20 10 CGCDRO CCO[C@@]1(C)C[C@H]1[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000527980785 330298116 /nfs/dbraw/zinc/29/81/16/330298116.db2.gz SLKWPALYGCZWHL-XPKDYRNWSA-N 1 0 263.381 3.227 20 10 CGCDRO COc1ccc(C[NH2+]CC[C@@H]2CCCCO2)cc1C ZINC000227339746 333281045 /nfs/dbraw/zinc/28/10/45/333281045.db2.gz PSJMDPGCWYWRIN-HNNXBMFYSA-N 1 0 263.381 3.052 20 10 CGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@](C)(OC)C2)c1O ZINC000230300136 333316109 /nfs/dbraw/zinc/31/61/09/333316109.db2.gz GMXLICYHLWUAID-OAHLLOKOSA-N 1 0 299.798 3.055 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)C1CC(F)(F)C1 ZINC000529537197 333494858 /nfs/dbraw/zinc/49/48/58/333494858.db2.gz CFGOELLKBKWYFI-SNVBAGLBSA-N 1 0 267.319 3.145 20 10 CGCDRO CC[C@H](N[C@@H]1CC[NH2+]C12CCC2)c1cc(Cl)ccc1O ZINC000530215231 333528288 /nfs/dbraw/zinc/52/82/88/333528288.db2.gz FNWKGGWXPGNTHS-DZGCQCFKSA-N 1 0 294.826 3.371 20 10 CGCDRO CCn1cnnc1C[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000273299240 334764012 /nfs/dbraw/zinc/76/40/12/334764012.db2.gz AWRRSRIZTTVQHK-GFCCVEGCSA-N 1 0 296.374 3.008 20 10 CGCDRO CC[C@H](COC)[NH2+][C@@H](CC)c1ccc(C)cc1O ZINC000280149295 522259789 /nfs/dbraw/zinc/25/97/89/522259789.db2.gz QCTHDWBNZIEEIC-OCCSQVGLSA-N 1 0 251.370 3.166 20 10 CGCDRO CCOC[C@H]1CCC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000126567993 520172273 /nfs/dbraw/zinc/17/22/73/520172273.db2.gz ZEYYECGEJAKORO-HNNXBMFYSA-N 1 0 294.414 3.140 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](C)Cn2cccn2)cc1 ZINC000271474137 520290244 /nfs/dbraw/zinc/29/02/44/520290244.db2.gz MHEPNCHOMNKTNK-GJZGRUSLSA-N 1 0 286.423 3.079 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@](C)(OC)CC2)c1 ZINC000280137860 521145175 /nfs/dbraw/zinc/14/51/75/521145175.db2.gz CUXPVYHEQPJGBW-QGZVFWFLSA-N 1 0 293.407 3.182 20 10 CGCDRO CC[N@H+](Cc1cccc(C)c1O)[C@H]1CCOC(C)(C)C1 ZINC000291689591 521341072 /nfs/dbraw/zinc/34/10/72/521341072.db2.gz XYEBLOWAYMJYIY-HNNXBMFYSA-N 1 0 277.408 3.480 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CCSC(C)(C)C2)c1O ZINC000093504420 521342107 /nfs/dbraw/zinc/34/21/07/521342107.db2.gz DPGALWMLCRNDFV-UHFFFAOYSA-N 1 0 281.421 3.118 20 10 CGCDRO CCOc1cccc(C[NH2+][C@H](C)c2ccccn2)c1O ZINC000020123372 521374325 /nfs/dbraw/zinc/37/43/25/521374325.db2.gz LPQWRNXFWNOLNM-GFCCVEGCSA-N 1 0 272.348 3.037 20 10 CGCDRO CC[C@H]([NH2+]CC(O)(CC)CC)c1ccc(C)cc1O ZINC000280026873 522569730 /nfs/dbraw/zinc/56/97/30/522569730.db2.gz HVSTWSZFKRTAKF-AWEZNQCLSA-N 1 0 265.397 3.292 20 10 CGCDRO CC[C@H]([NH2+]C[C@](C)(O)C(F)(F)F)c1ccc(C)cc1O ZINC000280014805 522634342 /nfs/dbraw/zinc/63/43/42/522634342.db2.gz GYKVULKQOYZNDY-AAEUAGOBSA-N 1 0 291.313 3.055 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1c2ccccc2C[C@H]1O)c1ccc(C)cc1O ZINC000280245652 522725764 /nfs/dbraw/zinc/72/57/64/522725764.db2.gz WICZUIPVHRLKCL-QXAKKESOSA-N 1 0 297.398 3.400 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCCC[C@@H]1O)c1ccc(C)cc1O ZINC000280263979 522750652 /nfs/dbraw/zinc/75/06/52/522750652.db2.gz XKLRZDNWQZMNCL-KKUMJFAQSA-N 1 0 263.381 3.045 20 10 CGCDRO CC[C@@H]([NH2+]CCOCC1CC1)c1ccc(C)cc1O ZINC000279987267 522837850 /nfs/dbraw/zinc/83/78/50/522837850.db2.gz FDBJGWWBVJVBPW-OAHLLOKOSA-N 1 0 263.381 3.168 20 10 CGCDRO CC[C@@H]([NH2+][C@H](CO)c1ccccc1)c1ccc(C)cc1O ZINC000280138095 522944937 /nfs/dbraw/zinc/94/49/37/522944937.db2.gz PLDZTMDBMSNORF-IAGOWNOFSA-N 1 0 285.387 3.475 20 10 CGCDRO CO[C@H](C)C[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000188127874 523885931 /nfs/dbraw/zinc/88/59/31/523885931.db2.gz VPMWKYAMRLOZNV-HUUCEWRRSA-N 1 0 276.424 3.362 20 10 CGCDRO CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000290297233 523891202 /nfs/dbraw/zinc/89/12/02/523891202.db2.gz YKNQRFZRIZNLFQ-KXUCPTDWSA-N 1 0 257.761 3.120 20 10 CGCDRO Cc1cccc(C(C)(C)[NH2+]Cc2cc3c(cc2O)OCO3)c1 ZINC000130449265 524231789 /nfs/dbraw/zinc/23/17/89/524231789.db2.gz UJQOFJLHSOGVFY-UHFFFAOYSA-N 1 0 299.370 3.454 20 10 CGCDRO Cc1cccc(C[N@H+](C)Cc2ccc(O)cc2)c1O ZINC000290656376 524375021 /nfs/dbraw/zinc/37/50/21/524375021.db2.gz ZJULJOORUMMJIT-UHFFFAOYSA-N 1 0 257.333 3.038 20 10 CGCDRO C[C@H](CO)[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000275069096 524566225 /nfs/dbraw/zinc/56/62/25/524566225.db2.gz YTWGQFOHZBHDCQ-PBHICJAKSA-N 1 0 285.387 3.037 20 10 CGCDRO C[C@H]([NH2+]CC1(O)CCCCCC1)c1ccccc1O ZINC000087088694 525318646 /nfs/dbraw/zinc/31/86/46/525318646.db2.gz AWUBBQKGDPXSQQ-ZDUSSCGKSA-N 1 0 263.381 3.128 20 10 CGCDRO C[C@H]([NH2+]CCC(C)(C)O)c1cc2c(cc1O)CCCC2 ZINC000274813498 525327874 /nfs/dbraw/zinc/32/78/74/525327874.db2.gz WAUBCRKQHJSKDY-LBPRGKRZSA-N 1 0 277.408 3.083 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H](C)CCc2ccco2)c1 ZINC000071406621 525352839 /nfs/dbraw/zinc/35/28/39/525352839.db2.gz IPUAGGNLDHQPIR-CYBMUJFWSA-N 1 0 259.349 3.405 20 10 CGCDRO C[C@@H]([NH2+]CCC[C@H](C)O)c1ccc(N2CCCCC2)cc1 ZINC000279048004 525442061 /nfs/dbraw/zinc/44/20/61/525442061.db2.gz JVXHUQSYDZLFLH-JKSUJKDBSA-N 1 0 290.451 3.489 20 10 CGCDRO C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1cccnc1 ZINC000094616873 525528489 /nfs/dbraw/zinc/52/84/89/525528489.db2.gz CXUGLAVEDJOCBZ-QWRGUYRKSA-N 1 0 260.312 3.338 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1cccnc1 ZINC000094616874 525604194 /nfs/dbraw/zinc/60/41/94/525604194.db2.gz CXUGLAVEDJOCBZ-MNOVXSKESA-N 1 0 260.312 3.338 20 10 CGCDRO C[C@@H]([NH2+][C@H](CCO)C(C)(C)C)c1ccc(N(C)C)cc1 ZINC000158070793 525667372 /nfs/dbraw/zinc/66/73/72/525667372.db2.gz QENOOBCKENNQCQ-CZUORRHYSA-N 1 0 278.440 3.200 20 10 CGCDRO COc1cccc(C[NH2+]Cc2cccc(C)c2C)c1O ZINC000289404802 526027163 /nfs/dbraw/zinc/02/71/63/526027163.db2.gz GZPWIHODOCEKDN-UHFFFAOYSA-N 1 0 271.360 3.307 20 10 CGCDRO COc1cccc(C[NH2+][C@@H](C)Cc2ccc(F)cc2)c1O ZINC000060942091 526028564 /nfs/dbraw/zinc/02/85/64/526028564.db2.gz UCHMYKUTXSPGOR-LBPRGKRZSA-N 1 0 289.350 3.261 20 10 CGCDRO COc1cccc(C[NH2+][C@H](C)c2cc(F)ccc2O)c1 ZINC000094617620 526036421 /nfs/dbraw/zinc/03/64/21/526036421.db2.gz LUDAJFNNTSMOAX-LLVKDONJSA-N 1 0 275.323 3.391 20 10 CGCDRO Oc1ccccc1C[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000280796738 526372365 /nfs/dbraw/zinc/37/23/65/526372365.db2.gz HZPJSXQBZYJGFC-UHFFFAOYSA-N 1 0 283.371 3.050 20 10 CGCDRO Oc1ccccc1C[NH2+]C1CC(OCc2ccccc2)C1 ZINC000364921091 526372653 /nfs/dbraw/zinc/37/26/53/526372653.db2.gz VEVBYBZAIBFDIH-UHFFFAOYSA-N 1 0 283.371 3.230 20 10 CGCDRO c1cc(CC[NH2+]Cc2ccc3c(c2)CCO3)cs1 ZINC000042340440 526421550 /nfs/dbraw/zinc/42/15/50/526421550.db2.gz JOQXTXPTJFQTHJ-UHFFFAOYSA-N 1 0 259.374 3.015 20 10 CGCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCCC12CCC2 ZINC000365827495 526433001 /nfs/dbraw/zinc/43/30/01/526433001.db2.gz GERCGXCOGLUMKH-UHFFFAOYSA-N 1 0 286.419 3.042 20 10 CGCDRO Cc1ncsc1C[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000071212983 527511364 /nfs/dbraw/zinc/51/13/64/527511364.db2.gz HYIXREMCEUNUNW-UHFFFAOYSA-N 1 0 287.432 3.124 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2C[C@H](C)OC(C)(C)C2)cc1 ZINC000741754598 572521986 /nfs/dbraw/zinc/52/19/86/572521986.db2.gz SPOKGYLRBRPMKK-AWEZNQCLSA-N 1 0 276.424 3.142 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2ccn(-c3ccccc3)n2)c1 ZINC000733326017 572556221 /nfs/dbraw/zinc/55/62/21/572556221.db2.gz DCHZVGXRUXAMIV-UHFFFAOYSA-N 1 0 293.370 3.176 20 10 CGCDRO CCn1c(C[NH2+]Cc2cc(C)ccc2O)nc2ccccc21 ZINC000733328358 572556337 /nfs/dbraw/zinc/55/63/37/572556337.db2.gz PQDSBQLDXQEYGT-UHFFFAOYSA-N 1 0 295.386 3.360 20 10 CGCDRO COc1cccc(O)c1C[NH2+][C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000742378397 572571628 /nfs/dbraw/zinc/57/16/28/572571628.db2.gz HJIPKYKLMYZDPC-HZSPNIEDSA-N 1 0 275.392 3.459 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CCCC2CC2)cc1F ZINC000736360346 572784326 /nfs/dbraw/zinc/78/43/26/572784326.db2.gz AVXDAQQKSMTQFK-UHFFFAOYSA-N 1 0 250.361 3.172 20 10 CGCDRO CCOc1ccc(C[NH2+][C@H](CC)C2CCOCC2)c(O)c1 ZINC000746054407 572849698 /nfs/dbraw/zinc/84/96/98/572849698.db2.gz RUSIYGAGTBGDRT-MRXNPFEDSA-N 1 0 293.407 3.086 20 10 CGCDRO Cc1cc(CC[NH2+][C@H]2CCO[C@H]2C)c(C)n1-c1ccccc1 ZINC000747859626 572951559 /nfs/dbraw/zinc/95/15/59/572951559.db2.gz OMRKQARSCVEQOK-LPHOPBHVSA-N 1 0 298.430 3.404 20 10 CGCDRO CCOCc1cc(C[NH2+]CCc2ccco2)ccc1OC ZINC000747854575 572951645 /nfs/dbraw/zinc/95/16/45/572951645.db2.gz PQKCOGFDLBLKGS-UHFFFAOYSA-N 1 0 289.375 3.157 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H](c2cnn(C)c2)C(C)(C)C)c1 ZINC000748246038 572970542 /nfs/dbraw/zinc/97/05/42/572970542.db2.gz HXKKFYLGJKWOFR-INIZCTEOSA-N 1 0 287.407 3.311 20 10 CGCDRO C[N@@H+](Cc1ccccc1O)C[C@H]1CC1(Cl)Cl ZINC000749299140 572991819 /nfs/dbraw/zinc/99/18/19/572991819.db2.gz SUHSGWCWTYOKHL-SNVBAGLBSA-N 1 0 260.164 3.018 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]CCOC1CCCCC1 ZINC000083552245 618009357 /nfs/dbraw/zinc/00/93/57/618009357.db2.gz WDSKIFICDNLAET-UHFFFAOYSA-N 1 0 283.799 3.485 20 10 CGCDRO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H](C)[C@H]2C)c1O ZINC000050565924 618122928 /nfs/dbraw/zinc/12/29/28/618122928.db2.gz BQXUHCCWEFMTAY-WDEREUQCSA-N 1 0 279.355 3.354 20 10 CGCDRO COc1cccc(C[NH2+][C@@]2(C)CCCC[C@@H]2C)c1O ZINC000308697121 618350652 /nfs/dbraw/zinc/35/06/52/618350652.db2.gz GBOWFMAEXFGHKA-LRDDRELGSA-N 1 0 263.381 3.459 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@]2(C)CCCC[C@@H]2C)c1 ZINC000308708861 618353649 /nfs/dbraw/zinc/35/36/49/618353649.db2.gz LDGAJWKZQZOWPJ-LRDDRELGSA-N 1 0 263.381 3.459 20 10 CGCDRO COCC1(C[NH2+][C@H](C)c2cc(Cl)ccc2O)CC1 ZINC000848561496 618564577 /nfs/dbraw/zinc/56/45/77/618564577.db2.gz XIVUFYMIWQIBOI-SNVBAGLBSA-N 1 0 269.772 3.123 20 10 CGCDRO CO[C@@](C)([C@@H](C)[NH2+][C@H](C)c1ccccc1O)C1CC1 ZINC000840858419 618692661 /nfs/dbraw/zinc/69/26/61/618692661.db2.gz BZFKRAHZKBLADW-HSMVNMDESA-N 1 0 263.381 3.246 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@](C)(O)C(C)C)c1ccc(N(C)C)cc1 ZINC000178118237 618857522 /nfs/dbraw/zinc/85/75/22/618857522.db2.gz JWVCYCSSQHODNR-IAGOWNOFSA-N 1 0 278.440 3.200 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@](C)(O)C(C)C)cc1 ZINC000178115733 618857528 /nfs/dbraw/zinc/85/75/28/618857528.db2.gz KWUXNMRXYLRTJS-YOEHRIQHSA-N 1 0 278.440 3.200 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+][C@H]2CCS[C@@H]2C)c1O ZINC000311049002 618889317 /nfs/dbraw/zinc/88/93/17/618889317.db2.gz HZGJMJROQWUKPF-KCJUWKMLSA-N 1 0 287.812 3.038 20 10 CGCDRO CC[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000893087439 618991799 /nfs/dbraw/zinc/99/17/99/618991799.db2.gz WBXZKNMFNDVLQU-NEPJUHHUSA-N 1 0 281.396 3.324 20 10 CGCDRO CC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000893107401 618997121 /nfs/dbraw/zinc/99/71/21/618997121.db2.gz BOJARMZHJRLWSS-WCQYABFASA-N 1 0 279.380 3.078 20 10 CGCDRO COc1ccc(C[NH2+]CC2(C)CCCCC2)c(O)c1OC ZINC000893138455 619004156 /nfs/dbraw/zinc/00/41/56/619004156.db2.gz ICAQCNKRFSZSGH-UHFFFAOYSA-N 1 0 293.407 3.469 20 10 CGCDRO CC[C@H]([NH2+]CCSC)c1cc(Cl)ccc1O ZINC000309716233 619049327 /nfs/dbraw/zinc/04/93/27/619049327.db2.gz TUSYTIGSKZKUKG-NSHDSACASA-N 1 0 259.802 3.449 20 10 CGCDRO CCCN(Cc1ccccc1O)c1cc(C)nc(C)n1 ZINC000189527706 619093639 /nfs/dbraw/zinc/09/36/39/619093639.db2.gz GKAJLQVHRVMZGJ-UHFFFAOYSA-N 1 0 271.364 3.216 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C[C@H](C)C(C)(C)C)c1 ZINC000162687831 619128671 /nfs/dbraw/zinc/12/86/71/619128671.db2.gz BJJMYYWDDRSDEH-NSHDSACASA-N 1 0 251.370 3.173 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@]1(C)CCO[C@H]1C1CC1 ZINC000840939941 619231570 /nfs/dbraw/zinc/23/15/70/619231570.db2.gz RPZKGSGBZBQXJJ-ZWKOTPCHSA-N 1 0 288.435 3.108 20 10 CGCDRO Cc1cc(F)ccc1CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000094951001 619291166 /nfs/dbraw/zinc/29/11/66/619291166.db2.gz AXFOKWIEMGNWBJ-UHFFFAOYSA-N 1 0 285.362 3.401 20 10 CGCDRO CCOc1ccc(O)c(C[N@H+](C)[C@H](C)C2(C)CC2)c1 ZINC000091900869 619309513 /nfs/dbraw/zinc/30/95/13/619309513.db2.gz BRAKLQVFCYMTDS-GFCCVEGCSA-N 1 0 263.381 3.411 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CCSC(C)(C)C2)c1 ZINC000093504648 619377761 /nfs/dbraw/zinc/37/77/61/619377761.db2.gz GOCXRSBOKNZCAE-UHFFFAOYSA-N 1 0 281.421 3.118 20 10 CGCDRO COc1cc(C)cc(C[NH2+]Cc2ccc(C)cc2)c1O ZINC000894151160 619394604 /nfs/dbraw/zinc/39/46/04/619394604.db2.gz XXPBGVYLFQRGNO-UHFFFAOYSA-N 1 0 271.360 3.307 20 10 CGCDRO CCCSC[C@@H](C)[NH2+]Cc1ccc(OC)cc1O ZINC000894184997 619408729 /nfs/dbraw/zinc/40/87/29/619408729.db2.gz IMDRPHSOCIYDAD-LLVKDONJSA-N 1 0 269.410 3.022 20 10 CGCDRO COc1cc(C)cc(C[NH2+]Cc2cc(F)ccc2F)c1O ZINC000894236401 619434460 /nfs/dbraw/zinc/43/44/60/619434460.db2.gz RBQULZFQRTXBNA-UHFFFAOYSA-N 1 0 293.313 3.277 20 10 CGCDRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1ccc(OC)c(OC)c1O ZINC000894499014 619554268 /nfs/dbraw/zinc/55/42/68/619554268.db2.gz MWBHDFVXGCRVGU-AAEUAGOBSA-N 1 0 279.380 3.172 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cnc(F)c(C)c2)c1 ZINC000894503216 619556492 /nfs/dbraw/zinc/55/64/92/619556492.db2.gz ZHPKSFBYBPLQRR-LLVKDONJSA-N 1 0 290.338 3.094 20 10 CGCDRO COc1ccc(C[N@@H+]2CCC[C@@H](C3CC3)C2)c(O)c1OC ZINC000894523350 619562410 /nfs/dbraw/zinc/56/24/10/619562410.db2.gz WWLRTFPVOPDELR-CYBMUJFWSA-N 1 0 291.391 3.031 20 10 CGCDRO COc1cc(C)cc(C[NH2+]CC2(SC)CCC2)c1O ZINC000894590018 619580525 /nfs/dbraw/zinc/58/05/25/619580525.db2.gz RAZSRWYVFZOXHI-UHFFFAOYSA-N 1 0 281.421 3.085 20 10 CGCDRO CC(C)[C@@](C)(O)C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000185434288 625358411 /nfs/dbraw/zinc/35/84/11/625358411.db2.gz LQRSGODKADNQGU-UGSOOPFHSA-N 1 0 291.435 3.329 20 10 CGCDRO CC[C@H](COC)[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000185504122 625365127 /nfs/dbraw/zinc/36/51/27/625365127.db2.gz JXMYYYQLBFXZNT-IUODEOHRSA-N 1 0 277.408 3.347 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)c1 ZINC000793231092 619708937 /nfs/dbraw/zinc/70/89/37/619708937.db2.gz KSQCIWOKXCKOEH-JOYOIKCWSA-N 1 0 289.297 3.174 20 10 CGCDRO Cc1cc(O)c(C[NH2+]Cc2cnc(Cl)s2)cc1C ZINC000895155775 619759326 /nfs/dbraw/zinc/75/93/26/619759326.db2.gz OBUAMCFCFMWSJD-UHFFFAOYSA-N 1 0 282.796 3.409 20 10 CGCDRO CCc1cccc(C[N@H+](C)Cc2ccns2)c1O ZINC000895452367 619832502 /nfs/dbraw/zinc/83/25/02/619832502.db2.gz KLWIPJYWIKTMDR-UHFFFAOYSA-N 1 0 262.378 3.043 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCc2cccnc21)c1ccccc1O ZINC000895460156 619833241 /nfs/dbraw/zinc/83/32/41/619833241.db2.gz LNECUVVEGVNJCB-SMDDNHRTSA-N 1 0 254.333 3.125 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)cc1Cl ZINC000895841568 619892395 /nfs/dbraw/zinc/89/23/95/619892395.db2.gz CSGYCARCMSSWRK-LRDDRELGSA-N 1 0 295.810 3.355 20 10 CGCDRO Cc1ccc(C[NH2+]C[C@@H]2CCCC3(CCC3)O2)c(O)c1 ZINC000896917830 620099981 /nfs/dbraw/zinc/09/99/81/620099981.db2.gz HIPUGSNWSYYDMG-HNNXBMFYSA-N 1 0 275.392 3.282 20 10 CGCDRO CCOCc1cc(C[NH2+][C@H]2CC[C@H]2C)ccc1OC ZINC000796526693 620104145 /nfs/dbraw/zinc/10/41/45/620104145.db2.gz PYZHZBYWKBXNIK-DOMZBBRYSA-N 1 0 263.381 3.120 20 10 CGCDRO CSCC1CC[NH+](Cc2cccc(C)c2O)CC1 ZINC000896940649 620108794 /nfs/dbraw/zinc/10/87/94/620108794.db2.gz JWOMDJRLICHNGB-UHFFFAOYSA-N 1 0 265.422 3.276 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@H]2CCSC3(CCC3)C2)c1 ZINC000896952704 620112389 /nfs/dbraw/zinc/11/23/89/620112389.db2.gz ZKMWUGJUHBPJME-ZDUSSCGKSA-N 1 0 293.432 3.309 20 10 CGCDRO Cc1cccc(O)c1C[NH2+][C@H]1CCS[C@@H](C)C1 ZINC000896953055 620112919 /nfs/dbraw/zinc/11/29/19/620112919.db2.gz UIWWRYADGXUEFP-RYUDHWBXSA-N 1 0 251.395 3.074 20 10 CGCDRO C[C@H]([NH2+]Cc1cc(Cl)ccc1O)[C@@H](O)c1ccccc1 ZINC000206876994 620230137 /nfs/dbraw/zinc/23/01/37/620230137.db2.gz OUGKLNCWWAUBJV-MEDUHNTESA-N 1 0 291.778 3.257 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]Cc2cnc(C)s2)c1O ZINC000228673518 620268650 /nfs/dbraw/zinc/26/86/50/620268650.db2.gz ALOUOGXNQYFOGG-UHFFFAOYSA-N 1 0 298.795 3.109 20 10 CGCDRO CC(C)C1CC([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000752935173 620300965 /nfs/dbraw/zinc/30/09/65/620300965.db2.gz UVVNLLXGOBDHMJ-UHFFFAOYSA-N 1 0 288.435 3.047 20 10 CGCDRO C[C@H](C[NH2+]Cc1ccccc1O)c1ccccc1[N+](=O)[O-] ZINC000897469352 620341751 /nfs/dbraw/zinc/34/17/51/620341751.db2.gz ITDLLLHQUMCQMC-GFCCVEGCSA-N 1 0 286.331 3.194 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]CC[C@H]1CCCC[C@H]1O ZINC000897538779 620381024 /nfs/dbraw/zinc/38/10/24/620381024.db2.gz FUEZJFXWEHAEIL-BXUZGUMPSA-N 1 0 283.799 3.076 20 10 CGCDRO COc1cccc(O)c1C[NH2+]CC(C)(C)C(C)(F)F ZINC000865789681 620408976 /nfs/dbraw/zinc/40/89/76/620408976.db2.gz MZLCGQVPALDIKM-UHFFFAOYSA-N 1 0 273.323 3.172 20 10 CGCDRO CC1(C)C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)CCS1 ZINC000897800140 620434687 /nfs/dbraw/zinc/43/46/87/620434687.db2.gz OENNHSVYUUYACZ-CQSZACIVSA-N 1 0 277.433 3.385 20 10 CGCDRO CCc1cccc(C[NH2+][C@H](C)c2cncs2)c1O ZINC000897931015 620447872 /nfs/dbraw/zinc/44/78/72/620447872.db2.gz URUFNMCPHYIADG-SNVBAGLBSA-N 1 0 262.378 3.262 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]C[C@]12C[C@H]1COC21CCC1 ZINC000898066203 620474085 /nfs/dbraw/zinc/47/40/85/620474085.db2.gz XZDNELHXPWPDSQ-XHDPSFHLSA-N 1 0 293.794 3.094 20 10 CGCDRO Cc1cccc(C[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)c1C ZINC000841041265 620521518 /nfs/dbraw/zinc/52/15/18/620521518.db2.gz ZDXZRLINFABWNX-LJQANCHMSA-N 1 0 297.446 3.159 20 10 CGCDRO CC[NH2+]Cc1ccccc1NCc1cccc(OC)c1O ZINC000841041893 620529900 /nfs/dbraw/zinc/52/99/00/620529900.db2.gz BXXBSYICCDRRCO-UHFFFAOYSA-N 1 0 286.375 3.122 20 10 CGCDRO CN(C)c1ccc([C@@H](N)C[NH2+]C/C=C\c2ccccc2)cc1 ZINC000841043988 620541941 /nfs/dbraw/zinc/54/19/41/620541941.db2.gz SHDYJDTYBANKQZ-QBUQCISBSA-N 1 0 295.430 3.055 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccccc1O)[C@H]1COc2ccccc2C1 ZINC000902786369 621446182 /nfs/dbraw/zinc/44/61/82/621446182.db2.gz NDLMGQIUUUNSTD-CZUORRHYSA-N 1 0 283.371 3.122 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2cnn(CCF)c2)c(O)c1 ZINC000903274955 621658162 /nfs/dbraw/zinc/65/81/62/621658162.db2.gz ULXOKGLCONVYRK-CYBMUJFWSA-N 1 0 291.370 3.026 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCN(C)[C@H]1C)c1cc(Cl)ccc1O ZINC000903300477 621667215 /nfs/dbraw/zinc/66/72/15/621667215.db2.gz IPSZBUVOLWGNAX-LEWSCRJBSA-N 1 0 282.815 3.179 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCOc2ccc(C#N)cc2)c(O)c1 ZINC000186080241 625511163 /nfs/dbraw/zinc/51/11/63/625511163.db2.gz KQOXKZATFLYGNN-CQSZACIVSA-N 1 0 296.370 3.302 20 10 CGCDRO C[C@@H]([NH2+]C[C@@](C)(O)c1cccc(F)c1)c1ccccc1O ZINC000903307333 621681087 /nfs/dbraw/zinc/68/10/87/621681087.db2.gz CQCJMQJABHHUIU-SJKOYZFVSA-N 1 0 289.350 3.090 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC(C)(C)C[C@H](C)O)c1 ZINC000186075082 625512354 /nfs/dbraw/zinc/51/23/54/625512354.db2.gz KBRQMUNZUJVGCG-QWHCGFSZSA-N 1 0 265.397 3.148 20 10 CGCDRO COC(C)(C)[C@H](C)[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000903331443 621706343 /nfs/dbraw/zinc/70/63/43/621706343.db2.gz NSHKSQUSLUYCIO-NHCYSSNCSA-N 1 0 281.371 3.483 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCc2cccnc2C)c1 ZINC000903415739 621734901 /nfs/dbraw/zinc/73/49/01/621734901.db2.gz KZUFJJIUIBPDBJ-CQSZACIVSA-N 1 0 270.376 3.297 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]CCc1cccc(F)c1 ZINC000083458581 625522263 /nfs/dbraw/zinc/52/22/63/625522263.db2.gz RAIMLUJSFFVRKV-UHFFFAOYSA-N 1 0 263.287 3.003 20 10 CGCDRO Oc1cccc(C[NH2+]Cc2cc(Cl)ccc2O)c1 ZINC000083461607 625522655 /nfs/dbraw/zinc/52/26/55/625522655.db2.gz LPVLIEIWMMFKMA-UHFFFAOYSA-N 1 0 263.724 3.041 20 10 CGCDRO CC(C)CC[C@@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000042879404 621886159 /nfs/dbraw/zinc/88/61/59/621886159.db2.gz OTEKYKKSTCUVCR-LLVKDONJSA-N 1 0 265.353 3.035 20 10 CGCDRO CCOc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)c(O)c1 ZINC000768138325 625526708 /nfs/dbraw/zinc/52/67/08/625526708.db2.gz SWDIKFROEIEHIX-STQMWFEESA-N 1 0 263.381 3.269 20 10 CGCDRO CCOc1ccc(O)c(C[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000768138522 625527342 /nfs/dbraw/zinc/52/73/42/625527342.db2.gz YCIPIZFQLMHNOL-CHWSQXEVSA-N 1 0 263.381 3.269 20 10 CGCDRO CCO[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)C1 ZINC000840763481 625550851 /nfs/dbraw/zinc/55/08/51/625550851.db2.gz JOVUUWUOSNYXMJ-KQXIARHKSA-N 1 0 279.355 3.237 20 10 CGCDRO CCO[C@H]1C[C@@H]([NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)C1 ZINC000840763479 625551691 /nfs/dbraw/zinc/55/16/91/625551691.db2.gz JOVUUWUOSNYXMJ-HNCHTBHHSA-N 1 0 279.355 3.237 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCS2)c(O)c1 ZINC000149710607 622375309 /nfs/dbraw/zinc/37/53/09/622375309.db2.gz VDXKELWGZAKALD-NWDGAFQWSA-N 1 0 251.395 3.247 20 10 CGCDRO CC[C@H]([NH2+]C[C@H]1CCCS1)c1ccccc1O ZINC000149724753 622375554 /nfs/dbraw/zinc/37/55/54/622375554.db2.gz OQBUFTRHZCCMIA-YPMHNXCESA-N 1 0 251.395 3.329 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCCCn2ccnc2)c1 ZINC000045105877 622843196 /nfs/dbraw/zinc/84/31/96/622843196.db2.gz ZPKDRQHYMJDHHW-AWEZNQCLSA-N 1 0 273.380 3.028 20 10 CGCDRO COc1ccc(C[NH2+]CCOCCC(C)C)cc1C ZINC000045094273 622843838 /nfs/dbraw/zinc/84/38/38/622843838.db2.gz IMLVYESCSCFPHQ-UHFFFAOYSA-N 1 0 265.397 3.156 20 10 CGCDRO CCSCC[C@@H](C)[NH2+]Cc1cc(OC)ccc1O ZINC000164729157 622844659 /nfs/dbraw/zinc/84/46/59/622844659.db2.gz SNQXBSPPYLIBLN-LLVKDONJSA-N 1 0 269.410 3.022 20 10 CGCDRO COc1ccc(C[NH2+]CCSC(F)(F)F)cc1C ZINC000225638672 622923690 /nfs/dbraw/zinc/92/36/90/622923690.db2.gz JHNNIAFUGJLGME-UHFFFAOYSA-N 1 0 279.327 3.346 20 10 CGCDRO COc1cccc(C[NH2+][C@@H]2CC[C@@H](C)C[C@@H]2C)c1O ZINC000226157171 622948091 /nfs/dbraw/zinc/94/80/91/622948091.db2.gz CRDVBMHOJCRZKO-MBNYWOFBSA-N 1 0 263.381 3.315 20 10 CGCDRO C[C@@H]([NH2+]CC1(CO)CCCCC1)c1ccc(N(C)C)cc1 ZINC000157964124 622988686 /nfs/dbraw/zinc/98/86/86/622988686.db2.gz DKYWOHHILVGGBJ-OAHLLOKOSA-N 1 0 290.451 3.346 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]C[C@@H]1CCCCS1 ZINC000158060242 622994619 /nfs/dbraw/zinc/99/46/19/622994619.db2.gz CYVQMJMDAWFKAX-LBPRGKRZSA-N 1 0 271.813 3.421 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)CCSC)c1 ZINC000168788553 623013929 /nfs/dbraw/zinc/01/39/29/623013929.db2.gz QKVQMKRBZBUNQI-MNOVXSKESA-N 1 0 269.410 3.193 20 10 CGCDRO COCCC(C)(C)C[NH2+]Cc1cc(Cl)ccc1O ZINC000230863847 623279260 /nfs/dbraw/zinc/27/92/60/623279260.db2.gz NLMGQRCXPFPNIJ-UHFFFAOYSA-N 1 0 271.788 3.198 20 10 CGCDRO C[C@@H]([NH2+]CCC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000063099498 623296799 /nfs/dbraw/zinc/29/67/99/623296799.db2.gz OGWOFMUJBADVOD-SNVBAGLBSA-N 1 0 260.303 3.356 20 10 CGCDRO COc1ccc(N2CCC[N@H+](CC3CCC3)CC2)cc1 ZINC000173553350 623330501 /nfs/dbraw/zinc/33/05/01/623330501.db2.gz UAODNHKBKWDUOS-UHFFFAOYSA-N 1 0 274.408 3.007 20 10 CGCDRO COc1ccc(C[NH2+][C@H](C)Cc2ccco2)cc1C ZINC000035254579 623422808 /nfs/dbraw/zinc/42/28/08/623422808.db2.gz ZQUNKBURYDOIHH-CYBMUJFWSA-N 1 0 259.349 3.317 20 10 CGCDRO C[C@H]([NH2+]CC1(C)CCC1)c1ccc(N2CCOCC2)cc1 ZINC000090219806 623520835 /nfs/dbraw/zinc/52/08/35/623520835.db2.gz LGTIKDDTUWLKIP-HNNXBMFYSA-N 1 0 288.435 3.364 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C(C)C)C2CC2)c1 ZINC000324105534 623564840 /nfs/dbraw/zinc/56/48/40/623564840.db2.gz MIJINKVSICFYEQ-BDJLRTHQSA-N 1 0 263.381 3.486 20 10 CGCDRO C[C@H]([NH2+]CCOCC1CCCC1)c1cc(F)ccc1O ZINC000313258363 623636850 /nfs/dbraw/zinc/63/68/50/623636850.db2.gz XHJWVCCOKXTILN-LBPRGKRZSA-N 1 0 281.371 3.389 20 10 CGCDRO COC[C@H]([NH2+][C@H](C)c1cc2c(cc1O)CCCC2)C1CC1 ZINC000186153901 625679292 /nfs/dbraw/zinc/67/92/92/625679292.db2.gz TVWMHUBDDRHWMA-PXAZEXFGSA-N 1 0 289.419 3.347 20 10 CGCDRO CSCCC[N@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835050416 623860276 /nfs/dbraw/zinc/86/02/76/623860276.db2.gz AXCXNMGJWZMXDJ-FNORWQNLSA-N 1 0 278.465 3.451 20 10 CGCDRO Oc1ccc(F)cc1C[N@@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000245911381 623881478 /nfs/dbraw/zinc/88/14/78/623881478.db2.gz FXAKSAAZWQIZCU-UKRRQHHQSA-N 1 0 281.396 3.391 20 10 CGCDRO COc1cccc(C[N@@H+]2CCC[C@@H]2CC(C)C)c1O ZINC000153453746 623892327 /nfs/dbraw/zinc/89/23/27/623892327.db2.gz AXHAHRJTVDKFPL-CQSZACIVSA-N 1 0 263.381 3.411 20 10 CGCDRO COc1ccc(O)c(C[N@H+](C2CC2)C2CCCC2)c1 ZINC000179679567 624676087 /nfs/dbraw/zinc/67/60/87/624676087.db2.gz DNCLGARKUKQFRN-UHFFFAOYSA-N 1 0 261.365 3.308 20 10 CGCDRO Cc1cccc(C[N@H+](C)Cc2ccc(C#N)cc2)c1O ZINC000179682950 624676632 /nfs/dbraw/zinc/67/66/32/624676632.db2.gz WTPHSTWUMAHWAD-UHFFFAOYSA-N 1 0 266.344 3.204 20 10 CGCDRO CCC[N@@H+](Cc1cc(F)ccc1O)C[C@H]1CCCCO1 ZINC000180083494 624716478 /nfs/dbraw/zinc/71/64/78/624716478.db2.gz TXSKHDDMQUSSCU-OAHLLOKOSA-N 1 0 281.371 3.312 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCc3cc(F)ccc3C2)c1O ZINC000181445289 624860563 /nfs/dbraw/zinc/86/05/63/624860563.db2.gz KLVTWIREHYNXOB-UHFFFAOYSA-N 1 0 271.335 3.398 20 10 CGCDRO COc1cc(O)c(C[NH2+]C2(C)CCC(C)CC2)cc1OC ZINC000182188462 624951536 /nfs/dbraw/zinc/95/15/36/624951536.db2.gz KAZWVRMMLDJGHE-UHFFFAOYSA-N 1 0 293.407 3.468 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2nccn2C(C)C)c1 ZINC000182392984 624996373 /nfs/dbraw/zinc/99/63/73/624996373.db2.gz QPYWBPYUKZPBMA-GFCCVEGCSA-N 1 0 289.379 3.029 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCc2ccc3c(c2)OCO3)c1 ZINC000184896727 625279108 /nfs/dbraw/zinc/27/91/08/625279108.db2.gz DWCWZMQYBVVYBX-CYBMUJFWSA-N 1 0 299.370 3.323 20 10 CGCDRO CC[C@H]([NH2+]CC1(CO)CCCC1)c1ccc(N(C)C)cc1 ZINC000186481226 625873416 /nfs/dbraw/zinc/87/34/16/625873416.db2.gz NJOMXELQGVNSHK-KRWDZBQOSA-N 1 0 290.451 3.346 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CC2(CO)CCCC2)cc1 ZINC000186484894 625875554 /nfs/dbraw/zinc/87/55/54/625875554.db2.gz BUHRDWWREBIZAB-HNNXBMFYSA-N 1 0 290.451 3.346 20 10 CGCDRO Cc1cnccc1CC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921931140 625934112 /nfs/dbraw/zinc/93/41/12/625934112.db2.gz BEGALRLZGHKTKQ-UHFFFAOYSA-N 1 0 282.387 3.047 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)C[C@H](C)O1 ZINC000921955542 625944268 /nfs/dbraw/zinc/94/42/68/625944268.db2.gz LLFWNKLGFUHWBS-YWVIFJGQSA-N 1 0 275.392 3.057 20 10 CGCDRO FC1(F)CC(C[NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000922140159 625972266 /nfs/dbraw/zinc/97/22/66/625972266.db2.gz OTYGHDNHHNWOPD-UHFFFAOYSA-N 1 0 267.319 3.147 20 10 CGCDRO Cc1ccc(CC[NH2+]Cc2ccc3c(c2)CCCO3)nc1 ZINC000922171575 625978880 /nfs/dbraw/zinc/97/88/80/625978880.db2.gz LULTZKYUXWCOOB-UHFFFAOYSA-N 1 0 282.387 3.047 20 10 CGCDRO Cc1ncccc1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922291552 625993742 /nfs/dbraw/zinc/99/37/42/625993742.db2.gz ATXFMARZVAQLCK-UHFFFAOYSA-N 1 0 268.360 3.005 20 10 CGCDRO COC[C@H]([NH2+][C@H](C)c1ccc(C)cc1O)C(C)C ZINC000086696188 626084565 /nfs/dbraw/zinc/08/45/65/626084565.db2.gz RDJRIRZQNULUJB-OCCSQVGLSA-N 1 0 251.370 3.022 20 10 CGCDRO CCCCN(C)CC[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000756576689 626108462 /nfs/dbraw/zinc/10/84/62/626108462.db2.gz OAFQTQPWBYNMEV-AWEZNQCLSA-N 1 0 264.413 3.083 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCN(C(C)C)C(C)C)c(O)c1 ZINC000020086717 634481489 /nfs/dbraw/zinc/48/14/89/634481489.db2.gz KIOBNLVHSSNHBF-HNNXBMFYSA-N 1 0 278.440 3.470 20 10 CGCDRO COc1ccc(O)c(C[NH2+]CCC2=CCCCC2)c1 ZINC000020093775 634481860 /nfs/dbraw/zinc/48/18/60/634481860.db2.gz ARYHZEUSYHZMFE-UHFFFAOYSA-N 1 0 261.365 3.381 20 10 CGCDRO C[C@@H]([NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)c1ccn(C)n1 ZINC000840814966 626246666 /nfs/dbraw/zinc/24/66/66/626246666.db2.gz AOGNRKKPMNZCLF-BREBYQMCSA-N 1 0 289.354 3.164 20 10 CGCDRO C[C@@H]([NH2+]Cc1cnc(C2CC2)nc1)c1ccc(N(C)C)cc1 ZINC000839014818 626298789 /nfs/dbraw/zinc/29/87/89/626298789.db2.gz HVPIDGVTJQZHQQ-CYBMUJFWSA-N 1 0 296.418 3.271 20 10 CGCDRO COC[C@H]1CCC[N@@H+]1Cc1cc(C(C)C)c(C)cc1O ZINC000751950066 626412801 /nfs/dbraw/zinc/41/28/01/626412801.db2.gz OFBLSJRKKCZQFH-OAHLLOKOSA-N 1 0 277.408 3.435 20 10 CGCDRO COc1cccc(C[N@@H+]2C[C@@H](C)CC(C)(C)C2)c1O ZINC000753577239 626456310 /nfs/dbraw/zinc/45/63/10/626456310.db2.gz ZYUJMQOJGRYJSB-LBPRGKRZSA-N 1 0 263.381 3.269 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CC[C@@H]2CCOC2)cc1 ZINC000753762565 626464821 /nfs/dbraw/zinc/46/48/21/626464821.db2.gz WDPIPTTWEVOXCU-LSDHHAIUSA-N 1 0 276.424 3.220 20 10 CGCDRO CC[C@H]([NH2+]CC1(C)OCCCO1)c1cc(Cl)ccc1O ZINC000754120680 626558589 /nfs/dbraw/zinc/55/85/89/626558589.db2.gz BFKJDMPLYQCZPC-ZDUSSCGKSA-N 1 0 299.798 3.239 20 10 CGCDRO Cc1cc(C)c(O)c(C[NH+]2CCC(C(F)F)CC2)c1 ZINC000754741405 626586024 /nfs/dbraw/zinc/58/60/24/626586024.db2.gz PIKYHONQNOBUKZ-UHFFFAOYSA-N 1 0 269.335 3.486 20 10 CGCDRO Cc1noc(C)c1[C@H](C)[NH2+]Cc1cccc(C)c1O ZINC000124827871 634517194 /nfs/dbraw/zinc/51/71/94/634517194.db2.gz LACRRVOTQIDBHW-JTQLQIEISA-N 1 0 260.337 3.156 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCN2CCCCC2)c(O)c1C ZINC000756395604 626700930 /nfs/dbraw/zinc/70/09/30/626700930.db2.gz DJKFVJHQLFGFOW-OAHLLOKOSA-N 1 0 276.424 3.146 20 10 CGCDRO C[C@H]([NH2+]C[C@H](C1CC1)N(C)C)c1cc(Cl)ccc1O ZINC000756434825 626705653 /nfs/dbraw/zinc/70/56/53/626705653.db2.gz ZWSMAQQXWWIHQP-IINYFYTJSA-N 1 0 282.815 3.036 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccoc2)c2c1c(F)ccc2O ZINC000756445305 626706080 /nfs/dbraw/zinc/70/60/80/626706080.db2.gz MXHZGLYETMSWKE-BXKDBHETSA-N 1 0 261.296 3.462 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]C[C@H](O)CC(C)(C)C)c2c1c(F)ccc2O ZINC000756590536 626718777 /nfs/dbraw/zinc/71/87/77/626718777.db2.gz OATXPIADEUITHN-WZRBSPASSA-N 1 0 295.398 3.466 20 10 CGCDRO C[C@@H]([NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)[C@H]1CCOC1 ZINC000756613361 626720412 /nfs/dbraw/zinc/72/04/12/626720412.db2.gz PADYAVOCKRQOQP-DCQANWLSSA-N 1 0 279.355 3.094 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC2(CCO)CCCC2)c1 ZINC000756623658 626721017 /nfs/dbraw/zinc/72/10/17/626721017.db2.gz BXCVHVPGWRICBH-CQSZACIVSA-N 1 0 277.408 3.294 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](CO)c2ccccc2C)c(O)c1 ZINC000756637092 626722845 /nfs/dbraw/zinc/72/28/45/626722845.db2.gz MLTKYGYFCQNXOW-PBHICJAKSA-N 1 0 285.387 3.393 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C[C@H]2CCOC2)c(O)c1 ZINC000756647846 626724019 /nfs/dbraw/zinc/72/40/19/626724019.db2.gz WCOGYECGPCFNJE-MELADBBJSA-N 1 0 263.381 3.166 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@]2(C)CCCO2)c(O)c1C ZINC000756647020 626724103 /nfs/dbraw/zinc/72/41/03/626724103.db2.gz PSWBBIOFIYQMBJ-XJKSGUPXSA-N 1 0 263.381 3.229 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F)C1CCOCC1 ZINC000756656373 626725594 /nfs/dbraw/zinc/72/55/94/626725594.db2.gz WQHSSSVVCJGJAE-JTNHKYCSSA-N 1 0 293.382 3.484 20 10 CGCDRO Cc1noc(CCC[NH2+][C@@H](C)c2cc(Cl)ccc2O)n1 ZINC000756684034 626726328 /nfs/dbraw/zinc/72/63/28/626726328.db2.gz JNYQKXUMVHZGTE-VIFPVBQESA-N 1 0 295.770 3.020 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](CO)c2cccc(F)c2)c1 ZINC000756710175 626726882 /nfs/dbraw/zinc/72/68/82/626726882.db2.gz BPVLCRAIJXPYIZ-WBMJQRKESA-N 1 0 289.350 3.224 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+][C@@H](CO)CC(C)(C)C)c2c1c(F)ccc2O ZINC000756763308 626729682 /nfs/dbraw/zinc/72/96/82/626729682.db2.gz ZCMBSLYRPLQYOU-NQBHXWOUSA-N 1 0 295.398 3.466 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](CO)CC(C)(C)C)c(O)c1C ZINC000756763018 626729746 /nfs/dbraw/zinc/72/97/46/626729746.db2.gz WREMIHAIVPWKEJ-UONOGXRCSA-N 1 0 279.424 3.457 20 10 CGCDRO C[C@H]1C[C@H]([NH2+]CC2(CCO)CCC2)c2c1c(F)ccc2O ZINC000756765947 626729961 /nfs/dbraw/zinc/72/99/61/626729961.db2.gz TWQRUKNARIRJHH-AAEUAGOBSA-N 1 0 293.382 3.222 20 10 CGCDRO C[C@H]1C[C@@H]([NH2+]CCOC2CCC2)c2c1c(F)ccc2O ZINC000756837082 626735924 /nfs/dbraw/zinc/73/59/24/626735924.db2.gz FPLQRUAKZXYVOR-GXFFZTMASA-N 1 0 279.355 3.238 20 10 CGCDRO C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cc(F)cc(F)c1[O-] ZINC000757639615 626796299 /nfs/dbraw/zinc/79/62/99/626796299.db2.gz SNIVNOGNEOMZQB-LLVKDONJSA-N 1 0 298.377 3.053 20 10 CGCDRO COC1(C[C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2C)CCC1 ZINC000759998959 626935740 /nfs/dbraw/zinc/93/57/40/626935740.db2.gz LYPSWRLFXWQDJJ-OAHLLOKOSA-N 1 0 290.451 3.498 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]Cc2ccoc2C)c1O ZINC000761198641 627024157 /nfs/dbraw/zinc/02/41/57/627024157.db2.gz RSZDFNHMZZLNMU-UHFFFAOYSA-N 1 0 281.739 3.245 20 10 CGCDRO C[C@@H]([NH2+]CC1CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000764832202 627227774 /nfs/dbraw/zinc/22/77/74/627227774.db2.gz YPZSEMQLCVKPRE-GFCCVEGCSA-N 1 0 294.826 3.237 20 10 CGCDRO CC[C@H](C)[NH2+]Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000765126637 627240990 /nfs/dbraw/zinc/24/09/90/627240990.db2.gz LIESRXPGSOKTHB-IHRRRGAJSA-N 1 0 294.414 3.327 20 10 CGCDRO COC[C@@H](CC(C)C)[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000765484300 627252854 /nfs/dbraw/zinc/25/28/54/627252854.db2.gz CLJNCEZBNSCCKA-QGZVFWFLSA-N 1 0 290.451 3.220 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)c1 ZINC000767371201 627402839 /nfs/dbraw/zinc/40/28/39/627402839.db2.gz KQPLAPWKBPDYSE-WMLDXEAASA-N 1 0 283.371 3.294 20 10 CGCDRO CCOc1ccc(C[NH2+][C@@H]2CC3CCC2CC3)c(O)c1 ZINC000767929211 627444942 /nfs/dbraw/zinc/44/49/42/627444942.db2.gz LVKPNPAISSMCRC-SEEARECTSA-N 1 0 275.392 3.459 20 10 CGCDRO Cc1ccc(O)c(CN2CC[NH+](C3CCCCC3)CC2)c1 ZINC000768240594 627470644 /nfs/dbraw/zinc/47/06/44/627470644.db2.gz ATGGJZABLFZSRN-UHFFFAOYSA-N 1 0 288.435 3.151 20 10 CGCDRO CC[C@H]1C[N@H+](Cc2cc3c(cc2O)CCCC3)C[C@@H](C)O1 ZINC000768448626 627480401 /nfs/dbraw/zinc/48/04/01/627480401.db2.gz UFSSLPWJVFWLSH-DYVFJYSZSA-N 1 0 289.419 3.270 20 10 CGCDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000768464950 627481137 /nfs/dbraw/zinc/48/11/37/627481137.db2.gz CWPYOVNPOXOQGR-DGCLKSJQSA-N 1 0 279.380 3.030 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](CC)C[C@H]2CCOC2)cc1 ZINC000768521007 627483313 /nfs/dbraw/zinc/48/33/13/627483313.db2.gz KZNYOOOEYVFWJU-QGZVFWFLSA-N 1 0 290.451 3.391 20 10 CGCDRO COc1cccc(O)c1C[N@H+](C)[C@H](C)C(C)(C)C ZINC000768544104 627486086 /nfs/dbraw/zinc/48/60/86/627486086.db2.gz PFHRFAFRHFYKKS-LLVKDONJSA-N 1 0 251.370 3.267 20 10 CGCDRO COc1cccc(O)c1C[N@H+](CC(C)C)C(C)C ZINC000768779400 627498252 /nfs/dbraw/zinc/49/82/52/627498252.db2.gz BTVDGPGBERIXAO-UHFFFAOYSA-N 1 0 251.370 3.267 20 10 CGCDRO CCOc1ccc(C[N@H+](C)C2Cc3ccccc3C2)c(O)c1 ZINC000769033715 627518517 /nfs/dbraw/zinc/51/85/17/627518517.db2.gz MKPWVSMSKIVCTA-UHFFFAOYSA-N 1 0 297.398 3.390 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CCSC(C)(C)C2)c(O)c1 ZINC000769446756 627553887 /nfs/dbraw/zinc/55/38/87/627553887.db2.gz AFNWDCSDBGHDGG-UHFFFAOYSA-N 1 0 281.421 3.118 20 10 CGCDRO CCOc1ccc(C[N@H+](C)[C@@H](C)CCSC)c(O)c1 ZINC000769462717 627555867 /nfs/dbraw/zinc/55/58/67/627555867.db2.gz HYPJNLMZTISLFU-LBPRGKRZSA-N 1 0 283.437 3.364 20 10 CGCDRO Cc1cccc(CN(C)Cc2c(O)cccc2Cl)n1 ZINC000769479952 627558402 /nfs/dbraw/zinc/55/84/02/627558402.db2.gz KYZGUVQRIWDHBS-UHFFFAOYSA-N 1 0 276.767 3.381 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@]3(CCCOC3)C2)cc1 ZINC000769481901 627558951 /nfs/dbraw/zinc/55/89/51/627558951.db2.gz AUYOLVWRIYCZOP-SFHVURJKSA-N 1 0 288.435 3.145 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@]3(CCCOC3)C2)cc1 ZINC000769481900 627559440 /nfs/dbraw/zinc/55/94/40/627559440.db2.gz AUYOLVWRIYCZOP-GOSISDBHSA-N 1 0 288.435 3.145 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000769498568 627560315 /nfs/dbraw/zinc/56/03/15/627560315.db2.gz LOGNGFWWHIAROE-CJNGLKHVSA-N 1 0 293.432 3.261 20 10 CGCDRO COc1cccc(C[N@@H+]2CC[C@H]2c2cccc(F)c2)c1O ZINC000769508668 627561092 /nfs/dbraw/zinc/56/10/92/627561092.db2.gz UFWIYQAXMBWXLJ-HNNXBMFYSA-N 1 0 287.334 3.487 20 10 CGCDRO CC[C@@H](C)C[N@H+](CC)Cc1c(O)cccc1OC ZINC000769538132 627564051 /nfs/dbraw/zinc/56/40/51/627564051.db2.gz SIVWKGGWPLEHTN-GFCCVEGCSA-N 1 0 251.370 3.269 20 10 CGCDRO CO[C@]1(C)C[C@@H]([N@H+](C)Cc2cc(C)ccc2O)C1(C)C ZINC000769549498 627565132 /nfs/dbraw/zinc/56/51/32/627565132.db2.gz SBCFEANIFRFHCB-NVXWUHKLSA-N 1 0 277.408 3.336 20 10 CGCDRO CC(C)OC1CC([NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC000769936623 627591097 /nfs/dbraw/zinc/59/10/97/627591097.db2.gz HDPZHRQWGJEFDP-UHFFFAOYSA-N 1 0 288.435 3.332 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H](O)c2ccco2)cc1 ZINC000125147007 634601393 /nfs/dbraw/zinc/60/13/93/634601393.db2.gz MMRFXZGCYRBLBW-BBRMVZONSA-N 1 0 288.391 3.120 20 10 CGCDRO CC[C@@H](O)CCC[NH2+][C@@H](C)c1ccc(N(C)CC)cc1 ZINC000773012943 627842518 /nfs/dbraw/zinc/84/25/18/627842518.db2.gz FDLSFHMDAMICKF-WMLDXEAASA-N 1 0 278.440 3.344 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCS[C@@H](C)[C@H]2C)cc1 ZINC000773750918 627910110 /nfs/dbraw/zinc/91/01/10/627910110.db2.gz FPYAWMNUXOSHGV-KGLIPLIRSA-N 1 0 278.465 3.469 20 10 CGCDRO CCN(C)c1ccc(C[NH+]2CCC(COC)CC2)cc1 ZINC000773758604 627912239 /nfs/dbraw/zinc/91/22/39/627912239.db2.gz XIMWQFJWHFDURW-UHFFFAOYSA-N 1 0 276.424 3.001 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCOC(C)(C)[C@H]2C)cc1 ZINC000773765140 627912885 /nfs/dbraw/zinc/91/28/85/627912885.db2.gz GUNBCTRQQGTRFM-CQSZACIVSA-N 1 0 276.424 3.142 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2C[C@H](C)O[C@H](C)[C@H]2C)cc1 ZINC000773887221 627925359 /nfs/dbraw/zinc/92/53/59/627925359.db2.gz DZPRHWLNYVIPNJ-RRFJBIMHSA-N 1 0 276.424 3.140 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CC2(Cl)Cl)c1 ZINC000775370461 628087064 /nfs/dbraw/zinc/08/70/64/628087064.db2.gz NITZKNFISJUOHC-DTWKUNHWSA-N 1 0 290.190 3.245 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccn(C(C)C)n1)c1ccccc1O ZINC000775413894 628092602 /nfs/dbraw/zinc/09/26/02/628092602.db2.gz JSUMCHAZEMPEKL-HNNXBMFYSA-N 1 0 273.380 3.411 20 10 CGCDRO CC[C@@H]([NH2+]C1CCN(CC(F)F)CC1)c1ccccc1O ZINC000775500467 628101254 /nfs/dbraw/zinc/10/12/54/628101254.db2.gz POBUNIPUOPLKMN-CQSZACIVSA-N 1 0 298.377 3.162 20 10 CGCDRO CC[C@@H]([NH2+][C@H]1CCCOC1)c1cc(Cl)ccc1O ZINC000775502810 628101827 /nfs/dbraw/zinc/10/18/27/628101827.db2.gz WCZBHUHCFDMOCP-WCQYABFASA-N 1 0 269.772 3.265 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H](O)c1ccc(C)o1)c1ccccc1O ZINC000775509629 628102542 /nfs/dbraw/zinc/10/25/42/628102542.db2.gz NWZCWCODCSKEAH-UKRRQHHQSA-N 1 0 275.348 3.068 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](O)c1ccc(C)o1)c1ccccc1O ZINC000775509623 628102545 /nfs/dbraw/zinc/10/25/45/628102545.db2.gz NWZCWCODCSKEAH-DZGCQCFKSA-N 1 0 275.348 3.068 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccn(C)n1)c1cc(Cl)ccc1O ZINC000775523943 628103293 /nfs/dbraw/zinc/10/32/93/628103293.db2.gz BLZDAXYYUQQQER-CYBMUJFWSA-N 1 0 279.771 3.020 20 10 CGCDRO CC[C@H]([NH2+][C@H](CO)c1ccsc1)c1ccccc1O ZINC000775553336 628105602 /nfs/dbraw/zinc/10/56/02/628105602.db2.gz ASGJHSDUCYYRLD-UONOGXRCSA-N 1 0 277.389 3.228 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1O)c1cc(Cl)ccc1O ZINC000775586679 628111537 /nfs/dbraw/zinc/11/15/37/628111537.db2.gz NIUQIJWPFXJTCG-UMVBOHGHSA-N 1 0 283.799 3.390 20 10 CGCDRO CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(Cl)c2[O-])C[C@@H]1C ZINC000775715544 628127992 /nfs/dbraw/zinc/12/79/92/628127992.db2.gz GPKOUOJLSQHUGI-JSGCOSHPSA-N 1 0 296.842 3.350 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2C[C@H](C)CCC[C@@H]2C)c1 ZINC000775710015 628128486 /nfs/dbraw/zinc/12/84/86/628128486.db2.gz ZVKQBWLNKOXGDN-OLZOCXBDSA-N 1 0 263.381 3.411 20 10 CGCDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cccc(C)c2O)C12CCC2 ZINC000775743379 628132140 /nfs/dbraw/zinc/13/21/40/628132140.db2.gz ZKJSMAFTQRYULK-HZPDHXFCSA-N 1 0 289.419 3.480 20 10 CGCDRO COc1cccc(C[NH2+]Cc2c(F)cccc2Cl)c1O ZINC000776117836 628170674 /nfs/dbraw/zinc/17/06/74/628170674.db2.gz YNSZACLXYWFUIK-UHFFFAOYSA-N 1 0 295.741 3.483 20 10 CGCDRO Cc1cccc(C[NH2+][C@H](C)Cc2cccc(O)c2)c1O ZINC000776174984 628176957 /nfs/dbraw/zinc/17/69/57/628176957.db2.gz UDSKBOIOZQLTDA-CYBMUJFWSA-N 1 0 271.360 3.127 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCO[C@H](C3CC3)C2)cc1C(C)C ZINC000776773751 628231281 /nfs/dbraw/zinc/23/12/81/628231281.db2.gz VSVQADZQSCGRTH-SFHVURJKSA-N 1 0 289.419 3.435 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H]2C2CCOCC2)c1 ZINC000777440185 628270979 /nfs/dbraw/zinc/27/09/79/628270979.db2.gz VZELPSKYEZFJOF-INIZCTEOSA-N 1 0 275.392 3.092 20 10 CGCDRO COc1ccc(C[NH2+]CC[C@@](C)(O)c2ccccc2)cc1C ZINC000778214506 628334896 /nfs/dbraw/zinc/33/48/96/628334896.db2.gz UZVGYRQFTZRVCH-LJQANCHMSA-N 1 0 299.414 3.391 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CC[C@@H]1Cc1ccccc1 ZINC000779023651 628384267 /nfs/dbraw/zinc/38/42/67/628384267.db2.gz VKJFKGIFACBMRV-MRXNPFEDSA-N 1 0 253.345 3.209 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C1CC(OC(C)(C)C)C1 ZINC000779063538 628385894 /nfs/dbraw/zinc/38/58/94/628385894.db2.gz CRHODZFKQXVLLI-UHFFFAOYSA-N 1 0 290.451 3.497 20 10 CGCDRO COc1cccc(C[N@@H+]2CC[C@@]3(CC[C@H](C)C3)C2)c1O ZINC000781931619 628606214 /nfs/dbraw/zinc/60/62/14/628606214.db2.gz ZMLFEDLPTNEVFS-SUMWQHHRSA-N 1 0 275.392 3.413 20 10 CGCDRO Oc1cc2c(cc1C[N@@H+]1CCCC3(CCCC3)C1)OCO2 ZINC000783542695 628724014 /nfs/dbraw/zinc/72/40/14/628724014.db2.gz JXZXTHVMLKFZHM-UHFFFAOYSA-N 1 0 289.375 3.277 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1C[C@H](C)[C@H]2CCCC[C@H]21 ZINC000783593220 628729584 /nfs/dbraw/zinc/72/95/84/628729584.db2.gz OHWUVOMNJQAUGB-GZBFAFLISA-N 1 0 275.392 3.411 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C(C)(C)CC(F)(F)F)c1 ZINC000783716865 628742611 /nfs/dbraw/zinc/74/26/11/628742611.db2.gz GVVLZIWKIDQEKA-UHFFFAOYSA-N 1 0 277.286 3.221 20 10 CGCDRO COc1cc(C)cc(C[N@H+](C)C[C@@H]2CC=CCC2)c1O ZINC000784017080 628767019 /nfs/dbraw/zinc/76/70/19/628767019.db2.gz VRKTWGAKTCPCIG-CQSZACIVSA-N 1 0 275.392 3.497 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CCSC(C)(C)CC2)c1O ZINC000788379332 629047848 /nfs/dbraw/zinc/04/78/48/629047848.db2.gz WLXGOSCNZUDPQR-UHFFFAOYSA-N 1 0 295.448 3.427 20 10 CGCDRO COc1c2ccccc2oc1C[NH2+]Cc1ccccc1O ZINC000788969453 629092719 /nfs/dbraw/zinc/09/27/19/629092719.db2.gz HXJWBIBKPKNGIE-UHFFFAOYSA-N 1 0 283.327 3.437 20 10 CGCDRO C[C@H]1C[C@H]([NH2+]CCOC(F)(F)F)c2c1c(F)ccc2O ZINC000788980856 629093103 /nfs/dbraw/zinc/09/31/03/629093103.db2.gz OJRBYBYDRDFHEN-CBAPKCEASA-N 1 0 293.260 3.206 20 10 CGCDRO CC[C@H]([NH2+]C[C@H]1CC[C@H](O)C1)c1cc(Cl)ccc1O ZINC000788984249 629093932 /nfs/dbraw/zinc/09/39/32/629093932.db2.gz JGDNANWNDSYISK-JKOKRWQUSA-N 1 0 283.799 3.247 20 10 CGCDRO C[C@H]([NH2+]CCCC1CCOCC1)c1ccccc1O ZINC000790325769 629205949 /nfs/dbraw/zinc/20/59/49/629205949.db2.gz RTPMCZCMKIGVMX-ZDUSSCGKSA-N 1 0 263.381 3.250 20 10 CGCDRO CC[N@H+](Cc1cc(F)c(N(C)C)cc1F)C1CC1 ZINC000862220170 629325059 /nfs/dbraw/zinc/32/50/59/629325059.db2.gz LCNOGZJHASFNBK-UHFFFAOYSA-N 1 0 254.324 3.015 20 10 CGCDRO Oc1cccc(Br)c1C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000862249860 629331576 /nfs/dbraw/zinc/33/15/76/629331576.db2.gz FKLLCOGSZXVALP-NSHDSACASA-N 1 0 296.208 3.387 20 10 CGCDRO CCC[N@H+](Cc1cc(C)ccc1O)[C@H](CC)C(=O)OCC ZINC000792185262 629346771 /nfs/dbraw/zinc/34/67/71/629346771.db2.gz CVZJMOFJGQAPKO-OAHLLOKOSA-N 1 0 293.407 3.254 20 10 CGCDRO COCCC1CC[NH+](Cc2ccc(N(C)C)cc2C)CC1 ZINC000862436368 629371549 /nfs/dbraw/zinc/37/15/49/629371549.db2.gz DBKBQCPGDOOHDM-UHFFFAOYSA-N 1 0 290.451 3.310 20 10 CGCDRO CO[C@@H]1CCC[C@@H]([NH2+]CCCSc2nccs2)C1 ZINC000792993613 629400513 /nfs/dbraw/zinc/40/05/13/629400513.db2.gz VSFLXGHDCJBXOP-VXGBXAGGSA-N 1 0 286.466 3.173 20 10 CGCDRO COc1ccc(C[NH2+]C[C@H](C)Cc2ccccc2)c(O)c1 ZINC000793388725 629453011 /nfs/dbraw/zinc/45/30/11/629453011.db2.gz SCFHHDOFINPKAK-CQSZACIVSA-N 1 0 285.387 3.369 20 10 CGCDRO CCOC1(C)CC[NH+](Cc2cc(OC)c(C)cc2O)CC1 ZINC000793541921 629479878 /nfs/dbraw/zinc/47/98/78/629479878.db2.gz GIFKPSSSNQHBRI-UHFFFAOYSA-N 1 0 293.407 3.100 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H](C1CC1)N(C)C)c1ccc(C)cc1O ZINC000794797428 629578499 /nfs/dbraw/zinc/57/84/99/629578499.db2.gz NJUMSPMIEBYRGN-CVEARBPZSA-N 1 0 276.424 3.082 20 10 CGCDRO CC[C@H]([NH2+]C[C@H](OC)C(C)C)c1ccc(C)cc1O ZINC000794804202 629579042 /nfs/dbraw/zinc/57/90/42/629579042.db2.gz TXIVWBDCRDOOFM-HOCLYGCPSA-N 1 0 265.397 3.412 20 10 CGCDRO CC[C@H](O)CCC[NH2+][C@@H](CC)c1ccc(C)cc1O ZINC000794813040 629580395 /nfs/dbraw/zinc/58/03/95/629580395.db2.gz AXHQRXOUZNUYNF-ZFWWWQNUSA-N 1 0 265.397 3.292 20 10 CGCDRO CC[C@H]([NH2+]CC[C@H]1CCOC1)c1ccc(C)cc1O ZINC000794819792 629582020 /nfs/dbraw/zinc/58/20/20/629582020.db2.gz YCRJHRQMGQBBDS-ZFWWWQNUSA-N 1 0 263.381 3.168 20 10 CGCDRO C[C@H]([NH2+]Cc1cccnc1F)c1ccc(N(C)C)cc1 ZINC000794833008 629584191 /nfs/dbraw/zinc/58/41/91/629584191.db2.gz JLIJCUCBHOHMIG-LBPRGKRZSA-N 1 0 273.355 3.138 20 10 CGCDRO CCc1ccc([C@H](O)C[NH2+]Cc2cc(C)c(C)cc2O)cc1 ZINC000796451976 629782960 /nfs/dbraw/zinc/78/29/60/629782960.db2.gz QZPZBFRLOJFUIM-LJQANCHMSA-N 1 0 299.414 3.395 20 10 CGCDRO CC[C@@H]([NH2+]CCC[N@H+](C)C(C)C)c1ccc(F)cc1[O-] ZINC000796676160 629814018 /nfs/dbraw/zinc/81/40/18/629814018.db2.gz DPBMSVIHFJLHQB-OAHLLOKOSA-N 1 0 282.403 3.302 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CSC[C@H]2C)c2c1c(F)ccc2O ZINC000797063609 629880617 /nfs/dbraw/zinc/88/06/17/629880617.db2.gz CDWWYSXBSPKHES-PKZYVASSSA-N 1 0 281.396 3.421 20 10 CGCDRO CCCN1CCC[C@H]1C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000797114079 629890087 /nfs/dbraw/zinc/89/00/87/629890087.db2.gz NYFLQIUJEPXMIG-QAPCUYQASA-N 1 0 289.467 3.278 20 10 CGCDRO CC1=C[C@@H](C)C[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000797416865 629944725 /nfs/dbraw/zinc/94/47/25/629944725.db2.gz LBPBAXKCEINHJZ-GFCCVEGCSA-N 1 0 268.360 3.338 20 10 CGCDRO Cc1cc(C[NH2+]Cc2ccc(N(C)C)cc2)cc(Cl)n1 ZINC000797594428 629965883 /nfs/dbraw/zinc/96/58/83/629965883.db2.gz OOXUASYTBYFAHM-UHFFFAOYSA-N 1 0 289.810 3.399 20 10 CGCDRO Fc1cncc([C@H]([NH2+]Cc2ccc3c(c2)CCO3)C2CC2)c1 ZINC000798926417 630125511 /nfs/dbraw/zinc/12/55/11/630125511.db2.gz JPHRVIAEGHEQKS-GOSISDBHSA-N 1 0 298.361 3.397 20 10 CGCDRO CC[C@@H]1C[N@H+](Cc2cc(Cl)cc(C)c2O)CCCO1 ZINC000798964648 630131229 /nfs/dbraw/zinc/13/12/29/630131229.db2.gz ONBZLPMHXBVYLQ-CQSZACIVSA-N 1 0 283.799 3.355 20 10 CGCDRO Cc1cccc(C[N@@H+]2CC[C@@H](c3ccccn3)C2)c1O ZINC000798965266 630131910 /nfs/dbraw/zinc/13/19/10/630131910.db2.gz QOESGEOXDVZPGC-CQSZACIVSA-N 1 0 268.360 3.085 20 10 CGCDRO Oc1ccccc1C[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000799718184 630223949 /nfs/dbraw/zinc/22/39/49/630223949.db2.gz RHXHQKJMUYVSAY-CYBMUJFWSA-N 1 0 278.355 3.131 20 10 CGCDRO c1csc(SCCC[NH2+][C@@H]2CCC23CCOCC3)n1 ZINC000800480857 630284902 /nfs/dbraw/zinc/28/49/02/630284902.db2.gz UMVDLPUEKIMGNN-GFCCVEGCSA-N 1 0 298.477 3.174 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCC(C)(C)O)c1O ZINC000808713100 630296826 /nfs/dbraw/zinc/29/68/26/630296826.db2.gz FEGHOYJKWPKXST-SNVBAGLBSA-N 1 0 271.788 3.166 20 10 CGCDRO CCCC[N@H+](C/C=C(\C)C(=O)OC)Cc1ccccc1O ZINC000801595469 630346521 /nfs/dbraw/zinc/34/65/21/630346521.db2.gz DBDKQEZZCASKOG-GXDHUFHOSA-N 1 0 291.391 3.114 20 10 CGCDRO Cc1ncc([C@H](C)[NH2+]Cc2cc(C)ccc2O)s1 ZINC000865701715 630396393 /nfs/dbraw/zinc/39/63/93/630396393.db2.gz PWHRUZGOVWGXEW-JTQLQIEISA-N 1 0 262.378 3.316 20 10 CGCDRO COc1cccc(C[NH2+][C@@H](C)c2cnc(C)s2)c1O ZINC000865701653 630396499 /nfs/dbraw/zinc/39/64/99/630396499.db2.gz OGCKMCLRQQVXFQ-VIFPVBQESA-N 1 0 278.377 3.017 20 10 CGCDRO C[C@@H]1C[C@@H](CC[NH2+]Cc2cc(F)ccc2O)C[C@H](C)O1 ZINC000802658962 630403920 /nfs/dbraw/zinc/40/39/20/630403920.db2.gz ANQUGGBZEZRFJJ-CLLJXQQHSA-N 1 0 281.371 3.215 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H]2CCCO2)c1O ZINC000808672483 630662745 /nfs/dbraw/zinc/66/27/45/630662745.db2.gz OZANUNPKVQJBMU-JQWIXIFHSA-N 1 0 269.772 3.184 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](O)c2ccco2)c1O ZINC000808674779 630663338 /nfs/dbraw/zinc/66/33/38/630663338.db2.gz YEPOXWHRCQFHAK-GXFFZTMASA-N 1 0 295.766 3.331 20 10 CGCDRO COc1cncc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000808748676 630674441 /nfs/dbraw/zinc/67/44/41/630674441.db2.gz XLMQFEDWWZSGAG-CYBMUJFWSA-N 1 0 285.391 3.007 20 10 CGCDRO CC(C)(CO)[C@@H]([NH2+]Cc1ccccc1O)c1ccccc1 ZINC000809656372 630775692 /nfs/dbraw/zinc/77/56/92/630775692.db2.gz ZWWMLZYBPXDNPX-KRWDZBQOSA-N 1 0 285.387 3.242 20 10 CGCDRO COc1cccc(C[NH2+]Cc2cccc3[nH]ccc32)c1O ZINC000809739986 630796231 /nfs/dbraw/zinc/79/62/31/630796231.db2.gz JLYIJIJHSRKWBC-UHFFFAOYSA-N 1 0 282.343 3.172 20 10 CGCDRO COc1cccc(C[NH2+]Cc2cc(C)nc(Cl)c2)c1O ZINC000809739718 630796847 /nfs/dbraw/zinc/79/68/47/630796847.db2.gz BXOQCSSQMUBWJO-UHFFFAOYSA-N 1 0 292.766 3.047 20 10 CGCDRO CCOc1ccc(O)c(C[N@H+](C)[C@@H](CC)CSC)c1 ZINC000809767835 630804152 /nfs/dbraw/zinc/80/41/52/630804152.db2.gz VPSHUWMGSNOHGJ-ZDUSSCGKSA-N 1 0 283.437 3.364 20 10 CGCDRO CCC[N@H+](CC)C[C@@H](C)NCc1c(O)cccc1Cl ZINC000810180009 630850844 /nfs/dbraw/zinc/85/08/44/630850844.db2.gz LCWHIMILWXVXMJ-GFCCVEGCSA-N 1 0 284.831 3.256 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H](C)OC)c1ccc(C(F)(F)F)cc1O ZINC000810237218 630858086 /nfs/dbraw/zinc/85/80/86/630858086.db2.gz ABTGFJMTCPKKHS-JOYOIKCWSA-N 1 0 291.313 3.487 20 10 CGCDRO CC[C@@H]([NH2+]CCN(C)C)c1ccc(C(F)(F)F)cc1O ZINC000810239640 630858112 /nfs/dbraw/zinc/85/81/12/630858112.db2.gz FMEPEBCKAAQPBB-GFCCVEGCSA-N 1 0 290.329 3.013 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+][C@@H](C)CN(C)C(C)C)c1O ZINC000811512194 631079672 /nfs/dbraw/zinc/07/96/72/631079672.db2.gz GSQOEJMZDKZSMU-LBPRGKRZSA-N 1 0 284.831 3.172 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CCC(F)(F)[C@@H](C)C2)c(O)c1 ZINC000811512279 631079714 /nfs/dbraw/zinc/07/97/14/631079714.db2.gz JZEYRWNBAJZUKK-NSHDSACASA-N 1 0 285.334 3.268 20 10 CGCDRO CC1(C)C[N@H+](Cc2c(O)cccc2Cl)[C@@H]1[C@H]1CCCO1 ZINC000811511060 631080164 /nfs/dbraw/zinc/08/01/64/631080164.db2.gz SZEXZVHMRFKNJU-HUUCEWRRSA-N 1 0 295.810 3.435 20 10 CGCDRO COc1cccc(C[NH+]2CCC(C)(C3CC3)CC2)c1O ZINC000811514139 631082436 /nfs/dbraw/zinc/08/24/36/631082436.db2.gz CQTMPSFBNLLFHV-UHFFFAOYSA-N 1 0 275.392 3.413 20 10 CGCDRO Cc1ccc(C[N@H+](C)Cc2cccc(O)c2)c(O)c1 ZINC000876511502 634848916 /nfs/dbraw/zinc/84/89/16/634848916.db2.gz KRKABIAVAXTBOU-UHFFFAOYSA-N 1 0 257.333 3.038 20 10 CGCDRO OC1CCN(c2ccc(C[NH+]3CCCCCC3)cc2)CC1 ZINC000876523710 634850800 /nfs/dbraw/zinc/85/08/00/634850800.db2.gz BKJYFQIQMCCHDL-UHFFFAOYSA-N 1 0 288.435 3.024 20 10 CGCDRO Cc1ccc(NC(=O)C[N@@H+](C)Cc2c(C)cccc2O)cc1 ZINC000876530214 634851750 /nfs/dbraw/zinc/85/17/50/634851750.db2.gz RBGMOAPSKZXTDV-UHFFFAOYSA-N 1 0 298.386 3.080 20 10 CGCDRO Cc1cccc(O)c1C[N@H+]1CCC[C@@H]1c1cccn1C ZINC000876545949 634853905 /nfs/dbraw/zinc/85/39/05/634853905.db2.gz PTDFXKALXMALMM-MRXNPFEDSA-N 1 0 270.376 3.376 20 10 CGCDRO CCCN(CCC)c1ccc(C[NH2+]C[C@@H](O)CC)cc1 ZINC000813790927 631460937 /nfs/dbraw/zinc/46/09/37/631460937.db2.gz JZBGRKYSBNJUKC-KRWDZBQOSA-N 1 0 278.440 3.174 20 10 CGCDRO Cc1nnsc1C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000813884612 631475925 /nfs/dbraw/zinc/47/59/25/631475925.db2.gz MWWPMEUMCHNIGQ-XCBNKYQSSA-N 1 0 293.367 3.029 20 10 CGCDRO CCCC[N@@H+](Cc1ccccc1O)C[C@@H](O)C(C)C ZINC000814635791 631614626 /nfs/dbraw/zinc/61/46/26/631614626.db2.gz NSRWHWOGMUNLCN-MRXNPFEDSA-N 1 0 265.397 3.011 20 10 CGCDRO Cc1cc(C[N@H+]2CC[C@@H](OCC(C)C)C2)ccc1N(C)C ZINC000815060931 631709423 /nfs/dbraw/zinc/70/94/23/631709423.db2.gz GNUIXOYNFAIQGB-QGZVFWFLSA-N 1 0 290.451 3.308 20 10 CGCDRO Cc1cc(C[N@@H+]2CC[C@H](C3CC3)C2)ccc1N(C)C ZINC000815078250 631712266 /nfs/dbraw/zinc/71/22/66/631712266.db2.gz UAOPEUZMQGIGHN-INIZCTEOSA-N 1 0 258.409 3.293 20 10 CGCDRO CCN(C)c1ccc(C[N@H+](C)Cc2cnccc2C)cc1 ZINC000815105580 631717554 /nfs/dbraw/zinc/71/75/54/631717554.db2.gz HHWGLLAGRJJWAO-UHFFFAOYSA-N 1 0 283.419 3.478 20 10 CGCDRO Cc1cc(C[N@H+]2CC[C@H](C)C[C@@H]2[C@H](C)O)ccc1N(C)C ZINC000815100813 631718220 /nfs/dbraw/zinc/71/82/20/631718220.db2.gz XNOFKKSRZFFIPH-DHSIGJKJSA-N 1 0 290.451 3.042 20 10 CGCDRO CC[C@@H]1C[N@H+](Cc2ccc(N(C)CC)cc2)CCCO1 ZINC000815107376 631719352 /nfs/dbraw/zinc/71/93/52/631719352.db2.gz KTMDHOAOTABSOY-QGZVFWFLSA-N 1 0 276.424 3.144 20 10 CGCDRO CCOC[C@@H]([NH2+]Cc1ccc(N(C)C)c(C)c1)C(C)C ZINC000815116122 631720200 /nfs/dbraw/zinc/72/02/00/631720200.db2.gz ASXCZJZFIQIIJB-MRXNPFEDSA-N 1 0 278.440 3.212 20 10 CGCDRO CCOc1cccc(CNc2cc3c(c[nH+]2)CCC3)c1O ZINC000815159341 631732803 /nfs/dbraw/zinc/73/28/03/631732803.db2.gz QSNULDUUMIPLCL-UHFFFAOYSA-N 1 0 284.359 3.287 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2cccnc2N(C)C)c(O)c1 ZINC000815558654 631795484 /nfs/dbraw/zinc/79/54/84/631795484.db2.gz KHRLAQSFHAQCDE-AWEZNQCLSA-N 1 0 299.418 3.321 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F)C(C)(C)O ZINC000815652279 631814459 /nfs/dbraw/zinc/81/44/59/631814459.db2.gz WGOIZLNWWCFNTK-NDMJEZRESA-N 1 0 281.371 3.219 20 10 CGCDRO CC[C@H]1CO[C@H](C)CN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816481215 631987180 /nfs/dbraw/zinc/98/71/80/631987180.db2.gz MWHVMLUXRTYHIG-KOLCDFICSA-N 1 0 287.762 3.184 20 10 CGCDRO Oc1c(C[N@@H+]2CC[C@H](N3CCCC3)C2)ccc2ccccc21 ZINC000816499163 631993533 /nfs/dbraw/zinc/99/35/33/631993533.db2.gz HKFCXQGHHUWGNZ-KRWDZBQOSA-N 1 0 296.414 3.216 20 10 CGCDRO C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1ccc2ccccc2c1O ZINC000816513208 632000854 /nfs/dbraw/zinc/00/08/54/632000854.db2.gz JWKZZCFUQSCTMM-XJKSGUPXSA-N 1 0 285.387 3.281 20 10 CGCDRO CC[C@@H](C)[C@@H](O)C[NH2+]Cc1ccc2ccccc2c1O ZINC000816548713 632006993 /nfs/dbraw/zinc/00/69/93/632006993.db2.gz QBJIJHYIEFOFHS-WBMJQRKESA-N 1 0 273.376 3.042 20 10 CGCDRO COCCCCC[NH2+]Cc1ccc2ccccc2c1O ZINC000816544115 632007388 /nfs/dbraw/zinc/00/73/88/632007388.db2.gz XWCQCESBWQRPFZ-UHFFFAOYSA-N 1 0 273.376 3.452 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000816549008 632009208 /nfs/dbraw/zinc/00/92/08/632009208.db2.gz ADOAHKHIVVAQMM-HNNXBMFYSA-N 1 0 298.430 3.487 20 10 CGCDRO Oc1c(C[NH2+]C[C@@H](O)c2ccsc2)ccc2ccccc21 ZINC000816552733 632009705 /nfs/dbraw/zinc/00/97/05/632009705.db2.gz UTYCONSHEHIPLO-MRXNPFEDSA-N 1 0 299.395 3.430 20 10 CGCDRO C[C@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1ccc2ccccc2c1O ZINC000816557453 632012200 /nfs/dbraw/zinc/01/22/00/632012200.db2.gz QNNVUIPICHMEHF-SCLBCKFNSA-N 1 0 296.414 3.118 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CC(C)(C)[C@H]2C(C)C)cc1OC ZINC000816624880 632026708 /nfs/dbraw/zinc/02/67/08/632026708.db2.gz KBIOWZPDRXKJKQ-MRXNPFEDSA-N 1 0 293.407 3.276 20 10 CGCDRO CO[C@@H](C[NH2+]Cc1ccc2ccccc2c1O)C1CC1 ZINC000816651078 632036765 /nfs/dbraw/zinc/03/67/65/632036765.db2.gz RVQZFWABTHIWJK-INIZCTEOSA-N 1 0 271.360 3.060 20 10 CGCDRO COc1cccc(C[NH2+]C[C@H]2CC23CCSCC3)c1O ZINC000817410026 632141298 /nfs/dbraw/zinc/14/12/98/632141298.db2.gz IDEKVKYJFUUNKX-CYBMUJFWSA-N 1 0 293.432 3.024 20 10 CGCDRO c1cc(C[NH2+]C[C@H]2CC23CCSCC3)cc2c1OCC2 ZINC000817411242 632142024 /nfs/dbraw/zinc/14/20/24/632142024.db2.gz QCVDATMOTOTBEZ-OAHLLOKOSA-N 1 0 289.444 3.244 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2cc(C)nc(C)c2)c1 ZINC000817411171 632142801 /nfs/dbraw/zinc/14/28/01/632142801.db2.gz NXCZXXQLJKLNOV-UHFFFAOYSA-N 1 0 256.349 3.002 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H](O)CC[C@@H]2C)cc1F ZINC000817413871 632143741 /nfs/dbraw/zinc/14/37/41/632143741.db2.gz BVEVHQYZOUYFJI-ZFWWWQNUSA-N 1 0 294.414 3.017 20 10 CGCDRO CC[C@H]1C[C@H]([NH2+]Cc2c(O)cccc2Cl)CCO1 ZINC000817414671 632145223 /nfs/dbraw/zinc/14/52/23/632145223.db2.gz HZEZVSZKTCTXLJ-MNOVXSKESA-N 1 0 269.772 3.093 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCCC2(O)CCC2)cc1 ZINC000817585811 632191464 /nfs/dbraw/zinc/19/14/64/632191464.db2.gz IRUBXWVUFGGIGA-OAHLLOKOSA-N 1 0 290.451 3.489 20 10 CGCDRO C[C@@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1ccccc1 ZINC000817938072 632237667 /nfs/dbraw/zinc/23/76/67/632237667.db2.gz CUVGQCQCANHMHO-KDOFPFPSSA-N 1 0 283.419 3.103 20 10 CGCDRO CC(C)=CCC[C@@H](C)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000817939144 632239626 /nfs/dbraw/zinc/23/96/26/632239626.db2.gz ZNJVVKQJJOAPIA-CRAIPNDOSA-N 1 0 289.467 3.477 20 10 CGCDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000817941800 632240306 /nfs/dbraw/zinc/24/03/06/632240306.db2.gz KZTWPWFDPUZNNH-IHETXDGRSA-N 1 0 289.467 3.167 20 10 CGCDRO COc1ccc([C@@H](C)[NH2+]CCc2ccc(N)cc2)cc1F ZINC000817955827 632251220 /nfs/dbraw/zinc/25/12/20/632251220.db2.gz IQICIQRAHCAQIA-GFCCVEGCSA-N 1 0 288.366 3.310 20 10 CGCDRO CCO[C@@H]1C[C@@H]([NH2+]CCc2ccc(N)cc2)C1(CC)CC ZINC000817957509 632252232 /nfs/dbraw/zinc/25/22/32/632252232.db2.gz MTLSOCRVKRDYAT-IAGOWNOFSA-N 1 0 290.451 3.385 20 10 CGCDRO CCC[NH2+]CCN[C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000817961844 632257323 /nfs/dbraw/zinc/25/73/23/632257323.db2.gz DNELDOANLHYZMW-SECBINFHSA-N 1 0 291.222 3.349 20 10 CGCDRO C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817977227 632268629 /nfs/dbraw/zinc/26/86/29/632268629.db2.gz FDEAEZPUFJFNKN-FXQIFTODSA-N 1 0 277.195 3.085 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cccc(Cl)c1[O-] ZINC000818614771 632341844 /nfs/dbraw/zinc/34/18/44/632341844.db2.gz GDTJQKRREDTYCY-MGPQQGTHSA-N 1 0 282.815 3.356 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]CC[C@@H](O)C1CCCC1 ZINC000865875249 632936326 /nfs/dbraw/zinc/93/63/26/632936326.db2.gz MQRXFXJBIPIHPO-CQSZACIVSA-N 1 0 283.799 3.076 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H]2C[C@@]2(F)c2ccccc2)c1O ZINC000822498441 632948140 /nfs/dbraw/zinc/94/81/40/632948140.db2.gz YYUCJWGRYBJDIE-NVXWUHKLSA-N 1 0 271.335 3.428 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2CC[C@H](OCC(C)C)C2)cc1C ZINC000120814310 632955527 /nfs/dbraw/zinc/95/55/27/632955527.db2.gz FHHBKYABSXZIFC-INIZCTEOSA-N 1 0 277.408 3.256 20 10 CGCDRO Oc1cccc(Cl)c1C[NH+]1CC(CC(F)F)C1 ZINC000822521165 632959620 /nfs/dbraw/zinc/95/96/20/632959620.db2.gz XRRWVSPUDMBQNK-UHFFFAOYSA-N 1 0 261.699 3.133 20 10 CGCDRO C[C@@H](CCc1cccnc1)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000866217527 633032947 /nfs/dbraw/zinc/03/29/47/633032947.db2.gz GCWXCJIDNLTHDK-HNNXBMFYSA-N 1 0 283.419 3.259 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)c(O)c1 ZINC000866445686 633135895 /nfs/dbraw/zinc/13/58/95/633135895.db2.gz ARYIDTDKPFLRJT-XJFOESAGSA-N 1 0 263.381 3.226 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000823848367 633158373 /nfs/dbraw/zinc/15/83/73/633158373.db2.gz UUEHLXFWOQZGBT-MRXNPFEDSA-N 1 0 288.435 3.252 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CCCn2nccc21)c1ccc(Cl)cc1O ZINC000866633144 633222479 /nfs/dbraw/zinc/22/24/79/633222479.db2.gz FZXMMVOURNXIOH-MFKMUULPSA-N 1 0 291.782 3.428 20 10 CGCDRO CC[C@H](C[C@H](C)O)[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000866636166 633224659 /nfs/dbraw/zinc/22/46/59/633224659.db2.gz WYHJUGFVGGFIIP-XZUYRWCXSA-N 1 0 281.371 3.219 20 10 CGCDRO C[C@H](CCCO)C[NH2+]Cc1ccc2ccccc2c1O ZINC000824608803 633264240 /nfs/dbraw/zinc/26/42/40/633264240.db2.gz RCTVRKFDDFPYAF-CYBMUJFWSA-N 1 0 273.376 3.044 20 10 CGCDRO Oc1ccc(Br)cc1C[N@@H+]1CC[C@@H]1C1CC1 ZINC000824650121 633267460 /nfs/dbraw/zinc/26/74/60/633267460.db2.gz JBYCDUCIOUQZAA-GFCCVEGCSA-N 1 0 282.181 3.139 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000824715171 633278079 /nfs/dbraw/zinc/27/80/79/633278079.db2.gz IVVXRCYNAWYIEH-FMKPAKJESA-N 1 0 295.810 3.171 20 10 CGCDRO CN(C)c1ccc(C[N@H+](CCC[C@H]2CCO2)C2CC2)cc1 ZINC000876571019 634860437 /nfs/dbraw/zinc/86/04/37/634860437.db2.gz RQMDAANXDNDLHY-SFHVURJKSA-N 1 0 288.435 3.286 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](OC)[C@@H](C)C2)cc1 ZINC000824815473 633294807 /nfs/dbraw/zinc/29/48/07/633294807.db2.gz QBCITQLOAXXCAA-YJBOKZPZSA-N 1 0 290.451 3.390 20 10 CGCDRO CO[C@@H]1CC[N@H+](Cc2c(O)ccc3ccccc32)C[C@H]1C ZINC000824815669 633295013 /nfs/dbraw/zinc/29/50/13/633295013.db2.gz WJYJLYFVBPQLQS-FZKQIMNGSA-N 1 0 285.387 3.402 20 10 CGCDRO Cc1cc(O)c(C[N@@H+](C)Cc2cccn2C)cc1Cl ZINC000824851213 633300924 /nfs/dbraw/zinc/30/09/24/633300924.db2.gz WHNRJRUZEGCYJB-UHFFFAOYSA-N 1 0 278.783 3.325 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CCSC[C@@H]2C2CC2)c1O ZINC000824914364 633304791 /nfs/dbraw/zinc/30/47/91/633304791.db2.gz QWHSGEWTQJHDHW-CQSZACIVSA-N 1 0 293.432 3.118 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CCSC[C@@H]2C2CC2)c1 ZINC000824914507 633305415 /nfs/dbraw/zinc/30/54/15/633305415.db2.gz SRGKVLLPSZAWPL-OAHLLOKOSA-N 1 0 293.432 3.118 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2C[C@@H](C3CC3)[C@@H]2C2CC2)c1 ZINC000824940723 633308567 /nfs/dbraw/zinc/30/85/67/633308567.db2.gz BFKZZNXWWSEJLG-RDJZCZTQSA-N 1 0 273.376 3.021 20 10 CGCDRO CO[C@@H]1C[C@H]([N@H+](C)Cc2cc(C)ccc2O)C12CCC2 ZINC000825104326 633328339 /nfs/dbraw/zinc/32/83/39/633328339.db2.gz UFEKXRXPXBIUDG-JKSUJKDBSA-N 1 0 275.392 3.090 20 10 CGCDRO Oc1ccc(F)cc1C[N@@H+]1CCOCC12CCCCC2 ZINC000825098440 633328627 /nfs/dbraw/zinc/32/86/27/633328627.db2.gz ILDCPQNDRLJPOH-UHFFFAOYSA-N 1 0 279.355 3.066 20 10 CGCDRO CCOCCCC[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825126958 633331045 /nfs/dbraw/zinc/33/10/45/633331045.db2.gz UNYQZZBICKZCIS-UHFFFAOYSA-N 1 0 271.788 3.260 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@]3(CCOC3)C2)c1O ZINC000825133868 633331486 /nfs/dbraw/zinc/33/14/86/633331486.db2.gz NOYUGIXUPLOAGG-INIZCTEOSA-N 1 0 295.810 3.357 20 10 CGCDRO Cc1cc(C)c(C[NH2+]Cc2ccc(N(C)C)c(F)c2)cn1 ZINC000825220967 633336909 /nfs/dbraw/zinc/33/69/09/633336909.db2.gz AXKSHGZYSFYYGB-UHFFFAOYSA-N 1 0 287.382 3.193 20 10 CGCDRO Cc1cc(O)c(C[NH2+]Cc2ccn(C(C)C)n2)cc1Cl ZINC000825297362 633343312 /nfs/dbraw/zinc/34/33/12/633343312.db2.gz CDFMDCPCBQSTQL-UHFFFAOYSA-N 1 0 293.798 3.421 20 10 CGCDRO COC[C@H]([NH2+]Cc1cc(Cl)c(C)cc1O)c1ccco1 ZINC000825325758 633345392 /nfs/dbraw/zinc/34/53/92/633345392.db2.gz IMWFCEJVSOEPPT-ZDUSSCGKSA-N 1 0 295.766 3.424 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCO[C@H](C)C2)cc1Cl ZINC000825406511 633353070 /nfs/dbraw/zinc/35/30/70/633353070.db2.gz UPQVHABOBHFTRN-NEPJUHHUSA-N 1 0 283.799 3.259 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H](CCO)c2ccco2)cc1Cl ZINC000825536704 633362949 /nfs/dbraw/zinc/36/29/49/633362949.db2.gz LKJUMTUVFMFOFQ-CYBMUJFWSA-N 1 0 295.766 3.160 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@](C)(O)CC2)cc1Cl ZINC000825739040 633379502 /nfs/dbraw/zinc/37/95/02/633379502.db2.gz WKVLVXPVLWOOCY-OAHLLOKOSA-N 1 0 283.799 3.091 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2C[C@@H](C)O[C@@H]2C)cc1Cl ZINC000826122085 633406656 /nfs/dbraw/zinc/40/66/56/633406656.db2.gz XNRLGEIWZIGORI-UTUOFQBUSA-N 1 0 283.799 3.257 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CS[C@H](C)C2)cc1Cl ZINC000826120272 633406822 /nfs/dbraw/zinc/40/68/22/633406822.db2.gz ARGLVNQWFSDIBB-KOLCDFICSA-N 1 0 271.813 3.338 20 10 CGCDRO Cc1cc(O)c(C[NH+]2CCC([C@@H](C)CO)CC2)cc1Cl ZINC000826139705 633407595 /nfs/dbraw/zinc/40/75/95/633407595.db2.gz LVCJHJCPWBXELV-LBPRGKRZSA-N 1 0 297.826 3.194 20 10 CGCDRO CCN(CC)c1ccc(C[NH+]2CC(CCOC)C2)cc1 ZINC000826899902 633441794 /nfs/dbraw/zinc/44/17/94/633441794.db2.gz YTGPVQPMIUHCEZ-UHFFFAOYSA-N 1 0 276.424 3.001 20 10 CGCDRO C[C@]1(CC[NH2+]Cc2cc(F)ccc2O)CC1(F)F ZINC000827252172 633476120 /nfs/dbraw/zinc/47/61/20/633476120.db2.gz XYRYDFDXJYZPMQ-LBPRGKRZSA-N 1 0 259.271 3.056 20 10 CGCDRO Oc1ccccc1C[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC000827376919 633486547 /nfs/dbraw/zinc/48/65/47/633486547.db2.gz LCNDQUOMMUZRSO-QGZVFWFLSA-N 1 0 275.392 3.173 20 10 CGCDRO C[C@H](NC(=O)CC[C@@H]([NH3+])c1ccccc1)c1ccccc1O ZINC000870988067 633673534 /nfs/dbraw/zinc/67/35/34/633673534.db2.gz FMDNEJSGDHDJHG-XJKSGUPXSA-N 1 0 298.386 3.050 20 10 CGCDRO CCc1ccc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)o1 ZINC000845972729 636126025 /nfs/dbraw/zinc/12/60/25/636126025.db2.gz RPCDXKZFYIQDMC-NSHDSACASA-N 1 0 275.348 3.407 20 10 CGCDRO CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)CCO1 ZINC000830161027 633833924 /nfs/dbraw/zinc/83/39/24/633833924.db2.gz KKPILFMDWNLXAP-FUHWJXTLSA-N 1 0 288.435 3.334 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2C[C@@H]3CCC[C@H]3O2)c1 ZINC000872109133 634033213 /nfs/dbraw/zinc/03/32/13/634033213.db2.gz HZRREVGKEUKSAG-MYLCLEHYSA-N 1 0 291.391 3.009 20 10 CGCDRO C[C@@H](C[NH2+][C@@H]1CCc2cccc(O)c21)N(C)c1ccccc1 ZINC000834513301 634174948 /nfs/dbraw/zinc/17/49/48/634174948.db2.gz JJZUKNGCSIYRGO-WMLDXEAASA-N 1 0 296.414 3.494 20 10 CGCDRO Cc1ccccc1[C@@H](CO)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834611628 634198421 /nfs/dbraw/zinc/19/84/21/634198421.db2.gz MQZAPQCLYALULF-JKSUJKDBSA-N 1 0 283.371 3.011 20 10 CGCDRO CCCOc1ccc(C[NH2+]C2CCOCC2)cc1C ZINC000873017124 634232150 /nfs/dbraw/zinc/23/21/50/634232150.db2.gz WRMZQZFLLGDCJT-UHFFFAOYSA-N 1 0 263.381 3.052 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@@H](C)Cc2cnccn2)cc1C ZINC000873026066 634232959 /nfs/dbraw/zinc/23/29/59/634232959.db2.gz HTBLGRKKASUHHX-HNNXBMFYSA-N 1 0 299.418 3.295 20 10 CGCDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1ccccc1O ZINC000873035310 634235354 /nfs/dbraw/zinc/23/53/54/634235354.db2.gz IPLRRIQTFFEQNU-UHFFFAOYSA-N 1 0 286.331 3.207 20 10 CGCDRO CCCOc1ccc(C[NH2+]C2(C)CCOCC2)cc1C ZINC000873094752 634244653 /nfs/dbraw/zinc/24/46/53/634244653.db2.gz MOTXYPSDVBPAJG-UHFFFAOYSA-N 1 0 277.408 3.443 20 10 CGCDRO CCCOc1ccc(C[NH2+]CCc2nccnc2C)cc1C ZINC000873128646 634251835 /nfs/dbraw/zinc/25/18/35/634251835.db2.gz YFGIJELDHGPOHQ-UHFFFAOYSA-N 1 0 299.418 3.215 20 10 CGCDRO CCn1ccnc1C[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000834880405 634262952 /nfs/dbraw/zinc/26/29/52/634262952.db2.gz YCHOQBDSBSZNJW-LLVKDONJSA-N 1 0 293.798 3.421 20 10 CGCDRO CC(C)[C@H]1C[C@@H](C[NH2+][C@@H](C)c2ccccc2O)CCO1 ZINC000834884667 634266391 /nfs/dbraw/zinc/26/63/91/634266391.db2.gz AOTDAOLONBEDOW-GRDNDAEWSA-N 1 0 277.408 3.494 20 10 CGCDRO CCCc1ncc(C[NH2+][C@H](C)c2ccccc2O)o1 ZINC000834899635 634276722 /nfs/dbraw/zinc/27/67/22/634276722.db2.gz LFCSJIZVDGUFCQ-LLVKDONJSA-N 1 0 260.337 3.184 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCC[C@H]2CCOC2)c(O)c1C ZINC000834901500 634277949 /nfs/dbraw/zinc/27/79/49/634277949.db2.gz AXRHMZMZEYPLRV-GJZGRUSLSA-N 1 0 277.408 3.476 20 10 CGCDRO C[C@H]1C[C@@H]([NH2+]CC(C)(C)C(C)(C)O)c2c1c(F)ccc2O ZINC000834904820 634281575 /nfs/dbraw/zinc/28/15/75/634281575.db2.gz QVLIHCAGRQMYRA-CMPLNLGQSA-N 1 0 295.398 3.466 20 10 CGCDRO C[C@H]([NH2+]CCC1CC(F)(F)C1)c1ccccc1O ZINC000834909366 634284478 /nfs/dbraw/zinc/28/44/78/634284478.db2.gz QTNHLHHMNOMJGV-JTQLQIEISA-N 1 0 255.308 3.478 20 10 CGCDRO CC[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccc(F)cc1[O-] ZINC000873238682 634296531 /nfs/dbraw/zinc/29/65/31/634296531.db2.gz FBEPDGOCKOJIAY-UXIGCNINSA-N 1 0 280.387 3.090 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccc(F)cc1[O-] ZINC000873238683 634297232 /nfs/dbraw/zinc/29/72/32/634297232.db2.gz FBEPDGOCKOJIAY-WHOFXGATSA-N 1 0 280.387 3.090 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+]CC2(O)CCCCC2)cc1 ZINC000835036529 634327116 /nfs/dbraw/zinc/32/71/16/634327116.db2.gz KXWDVESTCSQKGH-VOTSOKGWSA-N 1 0 288.435 3.051 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@@H](O)c2ccccc2)cc1 ZINC000835032917 634327331 /nfs/dbraw/zinc/32/73/31/634327331.db2.gz AEFNEVNDOVDPER-LIXSYLKWSA-N 1 0 296.414 3.089 20 10 CGCDRO C[C@@H]1CSCC[N@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835048375 634334714 /nfs/dbraw/zinc/33/47/14/634334714.db2.gz HNWMBUSBJDFSBG-XVWMLYKFSA-N 1 0 290.476 3.451 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]CCOC(C)(C)CC)c1 ZINC000835084499 634349057 /nfs/dbraw/zinc/34/90/57/634349057.db2.gz FBXSNIYBJSYSHL-UHFFFAOYSA-N 1 0 281.396 3.086 20 10 CGCDRO Cc1cccc(O)c1C[NH+]1CCC(C2CCOCC2)CC1 ZINC000876772262 634896829 /nfs/dbraw/zinc/89/68/29/634896829.db2.gz KRAADAIHEKSDKH-UHFFFAOYSA-N 1 0 289.419 3.339 20 10 CGCDRO COc1ccccc1CC[NH2+]Cc1c(C)cccc1O ZINC000876890738 634922658 /nfs/dbraw/zinc/92/26/58/634922658.db2.gz IIJWPIVUMHLQDP-UHFFFAOYSA-N 1 0 271.360 3.042 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2c(C)cccc2O)cc1F ZINC000876905663 634926328 /nfs/dbraw/zinc/92/63/28/634926328.db2.gz WGZWJAZBFOHNRH-UHFFFAOYSA-N 1 0 259.324 3.438 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)c(O)c1 ZINC000876908783 634927324 /nfs/dbraw/zinc/92/73/24/634927324.db2.gz SEIWJMFHEKQOSN-ZDUSSCGKSA-N 1 0 299.370 3.323 20 10 CGCDRO Cc1ccc(C[NH2+][C@H](C)c2ccc3c(c2)OCO3)c(O)c1 ZINC000876919444 634928372 /nfs/dbraw/zinc/92/83/72/634928372.db2.gz VZRQCYMDYQUXIA-GFCCVEGCSA-N 1 0 285.343 3.280 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000876928977 634929819 /nfs/dbraw/zinc/92/98/19/634929819.db2.gz FAMJMNYHJJIISF-INIZCTEOSA-N 1 0 296.414 3.317 20 10 CGCDRO CCCOc1ccc(C[NH2+]Cc2ccc(C)cc2O)cn1 ZINC000876938733 634932403 /nfs/dbraw/zinc/93/24/03/634932403.db2.gz ADTTZGRRFGJOME-UHFFFAOYSA-N 1 0 286.375 3.174 20 10 CGCDRO Cc1ccc(C[NH2+]CCSC(F)(F)F)c(O)c1 ZINC000876938540 634932410 /nfs/dbraw/zinc/93/24/10/634932410.db2.gz IAMHKWTYZRKXSE-UHFFFAOYSA-N 1 0 265.300 3.043 20 10 CGCDRO CO[C@H](C[NH2+]Cc1ccc(C)cc1O)c1ccccc1 ZINC000876958653 634937323 /nfs/dbraw/zinc/93/73/23/634937323.db2.gz JPRGOVWPMXRSSC-QGZVFWFLSA-N 1 0 271.360 3.178 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)[C@@H]1CC1(F)F ZINC000876986657 634943594 /nfs/dbraw/zinc/94/35/94/634943594.db2.gz IAXOIUBIPRGWRW-FZMZJTMJSA-N 1 0 280.362 3.202 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2cc(C(C)C)no2)c(O)c1 ZINC000877031646 634955776 /nfs/dbraw/zinc/95/57/76/634955776.db2.gz SINOBHYXNQJVKE-UHFFFAOYSA-N 1 0 260.337 3.102 20 10 CGCDRO Cc1csc(C(C)(C)[NH2+]Cc2ccc(C)cc2O)n1 ZINC000877037075 634959099 /nfs/dbraw/zinc/95/90/99/634959099.db2.gz YWTLNQUUJPJXKL-UHFFFAOYSA-N 1 0 276.405 3.490 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]C[C@H]1OCCc2ccccc21 ZINC000877037131 634959533 /nfs/dbraw/zinc/95/95/33/634959533.db2.gz KTQBQYWRSCCLIJ-GOSISDBHSA-N 1 0 283.371 3.104 20 10 CGCDRO COC[C@H](Cc1ccccc1)[NH2+]Cc1ccc(C)cc1O ZINC000877077147 634974253 /nfs/dbraw/zinc/97/42/53/634974253.db2.gz YEZZKAIUVQQZFH-KRWDZBQOSA-N 1 0 285.387 3.048 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]Cc1nc(C2CC2)cs1 ZINC000877109611 634985750 /nfs/dbraw/zinc/98/57/50/634985750.db2.gz CWTFGGQYGDILNS-UHFFFAOYSA-N 1 0 274.389 3.324 20 10 CGCDRO Cc1ccc(C[NH2+][C@H](C)C[C@H](O)c2ccccc2)c(O)c1 ZINC000877127290 634992213 /nfs/dbraw/zinc/99/22/13/634992213.db2.gz DBPVBSMNUZTGLK-KDOFPFPSSA-N 1 0 285.387 3.302 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)c(O)c1 ZINC000877129051 634994204 /nfs/dbraw/zinc/99/42/04/634994204.db2.gz HUFOMNFAYGWSJH-SNPRPXQTSA-N 1 0 295.473 3.170 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)c(O)c1 ZINC000877129050 634994527 /nfs/dbraw/zinc/99/45/27/634994527.db2.gz HUFOMNFAYGWSJH-BPLDGKMQSA-N 1 0 295.473 3.170 20 10 CGCDRO Cc1ccc(C[NH2+]CCC[C@H]2CCCCO2)c(O)c1 ZINC000877352348 635030373 /nfs/dbraw/zinc/03/03/73/635030373.db2.gz FKPMDUWFNMHWNI-OAHLLOKOSA-N 1 0 263.381 3.140 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H]2CCc3cnn(C(C)C)c3C2)c(O)c1 ZINC000877472069 635049861 /nfs/dbraw/zinc/04/98/61/635049861.db2.gz IXHKNSFUXOIYJL-MRXNPFEDSA-N 1 0 299.418 3.125 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCS[C@H](C)CC2)c(O)c1 ZINC000877475450 635051228 /nfs/dbraw/zinc/05/12/28/635051228.db2.gz HVGNWHQSRVYEGG-GFCCVEGCSA-N 1 0 251.395 3.028 20 10 CGCDRO CSC1(C[NH2+]Cc2ccc(C)cc2O)CCC1 ZINC000877484342 635054445 /nfs/dbraw/zinc/05/44/45/635054445.db2.gz DCDHLWHTNULDIH-UHFFFAOYSA-N 1 0 251.395 3.076 20 10 CGCDRO CCn1ccc(C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)n1 ZINC000840840503 635062645 /nfs/dbraw/zinc/06/26/45/635062645.db2.gz ILUQKLGFYKZHTF-NSHDSACASA-N 1 0 293.798 3.421 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000840894739 635077060 /nfs/dbraw/zinc/07/70/60/635077060.db2.gz SFLVSDOZXOOITA-MPGHIAIKSA-N 1 0 290.451 3.149 20 10 CGCDRO CO[C@H](C)[C@H](C)[NH2+][C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000840894776 635078152 /nfs/dbraw/zinc/07/81/52/635078152.db2.gz SKPPMDYOVKFABX-SOUVJXGZSA-N 1 0 278.440 3.005 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H](CO)C2)cc1 ZINC000840895697 635078229 /nfs/dbraw/zinc/07/82/29/635078229.db2.gz SIENMHBYSDXVIM-UXLLHSPISA-N 1 0 290.451 3.344 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@]2(C)CCCO2)c(Cl)c1 ZINC000840906250 635079055 /nfs/dbraw/zinc/07/90/55/635079055.db2.gz WSVDOIYNLUUYJW-CQSZACIVSA-N 1 0 269.772 3.013 20 10 CGCDRO Cc1cc(O)c(C[N@H+](C[C@@H]2CCOC2)C2CC2)c(Cl)c1 ZINC000840910545 635079807 /nfs/dbraw/zinc/07/98/07/635079807.db2.gz OYFBJJKGGZBREC-LBPRGKRZSA-N 1 0 295.810 3.355 20 10 CGCDRO Cc1cc(O)c(CN(C)[C@@H]2CC[N@@H+](C3CC3)C2)c(Cl)c1 ZINC000840914143 635081029 /nfs/dbraw/zinc/08/10/29/635081029.db2.gz PRTDTSVEBDFUBA-CYBMUJFWSA-N 1 0 294.826 3.023 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](CCO)c1ccccc1 ZINC000840934641 635084527 /nfs/dbraw/zinc/08/45/27/635084527.db2.gz UIVAVNPPQPQHIO-LJQANCHMSA-N 1 0 298.430 3.274 20 10 CGCDRO CCCc1ncc(C[NH2+]Cc2ccc(N(C)C)cc2C)o1 ZINC000840950034 635090943 /nfs/dbraw/zinc/09/09/43/635090943.db2.gz DYIAKRJRFWALBA-UHFFFAOYSA-N 1 0 287.407 3.291 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCC[C@@H]2CCOC2)c(Cl)c1 ZINC000840952231 635092137 /nfs/dbraw/zinc/09/21/37/635092137.db2.gz XBSYJGWIAORZCH-GFCCVEGCSA-N 1 0 283.799 3.260 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](C)CCOC)cc1F ZINC000840955129 635092616 /nfs/dbraw/zinc/09/26/16/635092616.db2.gz NJGZBYNHGHNZIE-AWEZNQCLSA-N 1 0 296.430 3.434 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c(O)c1 ZINC000877564050 635093447 /nfs/dbraw/zinc/09/34/47/635093447.db2.gz WRXLQARGXFHYJZ-GVDBMIGSSA-N 1 0 289.419 3.216 20 10 CGCDRO Cc1ccc(C[N@@H+]2CC3(CCOCC3)[C@H]2C(C)C)c(O)c1 ZINC000877590699 635104925 /nfs/dbraw/zinc/10/49/25/635104925.db2.gz DVPFRBMUTMPEKE-QGZVFWFLSA-N 1 0 289.419 3.338 20 10 CGCDRO CN(C)c1ccc([C@@H](N)C[NH2+]C2CCC(C)(C)CC2)cc1 ZINC000841045356 635113552 /nfs/dbraw/zinc/11/35/52/635113552.db2.gz KFEAMGRBZREOFT-KRWDZBQOSA-N 1 0 289.467 3.311 20 10 CGCDRO C[C@@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)C1CCCCC1 ZINC000841042708 635113679 /nfs/dbraw/zinc/11/36/79/635113679.db2.gz MMORAUYPZUWQEX-KDOFPFPSSA-N 1 0 289.467 3.311 20 10 CGCDRO CCCC(CCC)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000841045786 635114475 /nfs/dbraw/zinc/11/44/75/635114475.db2.gz PXYIFCFMVAYXNB-QGZVFWFLSA-N 1 0 277.456 3.311 20 10 CGCDRO Cc1cccc(CN2C[C@@H](C)[NH2+]Cc3ccccc32)c1O ZINC000841089182 635119729 /nfs/dbraw/zinc/11/97/29/635119729.db2.gz ICTJMZGHBZCUDW-CQSZACIVSA-N 1 0 282.387 3.199 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000841088534 635120002 /nfs/dbraw/zinc/12/00/02/635120002.db2.gz YZYHVKYWKXSMMA-WFASDCNBSA-N 1 0 294.826 3.010 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H]2CCN(C3CCCCC3)C2)c(O)c1 ZINC000877631955 635122827 /nfs/dbraw/zinc/12/28/27/635122827.db2.gz YCAAATCRDVENNO-MRXNPFEDSA-N 1 0 288.435 3.197 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCO[C@H]2c2ccccc2)c1 ZINC000877661477 635136277 /nfs/dbraw/zinc/13/62/77/635136277.db2.gz BBTGPGSQEHNEQE-AEFFLSMTSA-N 1 0 299.370 3.021 20 10 CGCDRO C[C@@H](CC(=O)Nc1ccccc1)[NH2+][C@@H](C)c1ccccc1O ZINC000877757157 635185810 /nfs/dbraw/zinc/18/58/10/635185810.db2.gz JUORJFRBFZKPQL-KBPBESRZSA-N 1 0 298.386 3.460 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000877812587 635219231 /nfs/dbraw/zinc/21/92/31/635219231.db2.gz QYEPWXIGJHGPHV-ZDUSSCGKSA-N 1 0 273.298 3.475 20 10 CGCDRO CO[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841757106 635231104 /nfs/dbraw/zinc/23/11/04/635231104.db2.gz MGSUJPUAZLUUFN-GAJTVXKRSA-N 1 0 269.772 3.264 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(C)cc1O)[C@@H](O)c1ccccc1 ZINC000877832436 635233074 /nfs/dbraw/zinc/23/30/74/635233074.db2.gz LQXRVAAWIPZCGQ-WMZOPIPTSA-N 1 0 285.387 3.302 20 10 CGCDRO CCC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841765089 635234703 /nfs/dbraw/zinc/23/47/03/635234703.db2.gz UZBFHYFYIQBTHG-IINYFYTJSA-N 1 0 271.788 3.247 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2COCc3ccccc32)cc1C ZINC000841889444 635246937 /nfs/dbraw/zinc/24/69/37/635246937.db2.gz BPXDDKODIJMLHW-KRWDZBQOSA-N 1 0 283.371 3.365 20 10 CGCDRO Cc1cccc(C[NH2+]CC[C@H]2COc3ccccc3O2)c1O ZINC000841888733 635247348 /nfs/dbraw/zinc/24/73/48/635247348.db2.gz OYDLBMGUHAWUFP-HNNXBMFYSA-N 1 0 299.370 3.020 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+][C@@H]1COCc2ccccc21 ZINC000841889432 635247657 /nfs/dbraw/zinc/24/76/57/635247657.db2.gz BJBUXYUFLZGVLA-OAHLLOKOSA-N 1 0 289.762 3.407 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2COCc3ccccc32)cc1C ZINC000841891522 635248632 /nfs/dbraw/zinc/24/86/32/635248632.db2.gz QXVUCTWYHHGYTE-QGZVFWFLSA-N 1 0 283.371 3.370 20 10 CGCDRO Oc1ccc(F)cc1C[N@@H+]1CCSC[C@@H]1C1CCC1 ZINC000841894616 635250476 /nfs/dbraw/zinc/25/04/76/635250476.db2.gz ZXZJELLCQARQSD-CQSZACIVSA-N 1 0 281.396 3.249 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@H+]2C[C@@H](C)OC3(CCC3)C2)c1 ZINC000842645683 635426598 /nfs/dbraw/zinc/42/65/98/635426598.db2.gz YJOMTLOBFNQQQI-CQSZACIVSA-N 1 0 275.392 3.152 20 10 CGCDRO CC[C@H](C)C[C@@H](CO)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000842756818 635461577 /nfs/dbraw/zinc/46/15/77/635461577.db2.gz OXPSTBZVVUGERU-UFOWUTGFSA-N 1 0 290.451 3.153 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1CC2(CCC2)CO1)c1ccccc1O ZINC000878354280 635473171 /nfs/dbraw/zinc/47/31/71/635473171.db2.gz HVUIKJBWNHGMFO-STQMWFEESA-N 1 0 261.365 3.002 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCC(C)(C)CO2)c1 ZINC000878360362 635474098 /nfs/dbraw/zinc/47/40/98/635474098.db2.gz LXMVNZXFWDDTAO-TZMCWYRMSA-N 1 0 293.407 3.257 20 10 CGCDRO CC[C@H]([NH2+]C[C@H]1CC2(CCC2)CO1)c1ccccc1O ZINC000878363045 635475336 /nfs/dbraw/zinc/47/53/36/635475336.db2.gz PAEXVBVPULQBHH-HIFRSBDPSA-N 1 0 275.392 3.392 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H]1CC2(CCC2)CO1)c1ccccc1O ZINC000878363044 635475580 /nfs/dbraw/zinc/47/55/80/635475580.db2.gz PAEXVBVPULQBHH-DZGCQCFKSA-N 1 0 275.392 3.392 20 10 CGCDRO CC[C@H](C)C[C@H](CO)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000842913274 635511197 /nfs/dbraw/zinc/51/11/97/635511197.db2.gz AZRWTGHOMYNILR-SQWLQELKSA-N 1 0 278.440 3.200 20 10 CGCDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](CC)c2ccccc2O)[C@@H]1SC ZINC000842925201 635513280 /nfs/dbraw/zinc/51/32/80/635513280.db2.gz WUUXUENAFHVVOW-XNISGKROSA-N 1 0 295.448 3.342 20 10 CGCDRO [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000843045232 635549507 /nfs/dbraw/zinc/54/95/07/635549507.db2.gz QEMNIFQEERHYQP-WFASDCNBSA-N 1 0 294.826 3.010 20 10 CGCDRO COc1ccc(N(Cc2ccccc2)C[C@@H]2CC[NH2+]C2)cc1 ZINC000843357105 635652295 /nfs/dbraw/zinc/65/22/95/635652295.db2.gz COOGSYLJBTVSPV-QGZVFWFLSA-N 1 0 296.414 3.311 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000843416969 635663195 /nfs/dbraw/zinc/66/31/95/635663195.db2.gz NBCGWCZJCVLGHF-IUODEOHRSA-N 1 0 295.810 3.437 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)c1 ZINC000843416954 635663394 /nfs/dbraw/zinc/66/33/94/635663394.db2.gz MMADHYDVZHUTMD-GOEBONIOSA-N 1 0 275.392 3.092 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](c3cccnc3)C2)c1 ZINC000843420025 635665359 /nfs/dbraw/zinc/66/53/59/635665359.db2.gz YXQQKVNISQVKMV-OAHLLOKOSA-N 1 0 268.360 3.085 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000843433839 635674341 /nfs/dbraw/zinc/67/43/41/635674341.db2.gz FBKRFWMXQAYZSJ-CWRNSKLLSA-N 1 0 258.409 3.339 20 10 CGCDRO CCOC(=O)CCCCC[NH2+][C@@H](C)c1ccccc1O ZINC000879649667 635826784 /nfs/dbraw/zinc/82/67/84/635826784.db2.gz BJFPWOBIXZLMLD-ZDUSSCGKSA-N 1 0 279.380 3.166 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1)c1ccccc1O ZINC000879650203 635826999 /nfs/dbraw/zinc/82/69/99/635826999.db2.gz PBTXYYXPVZTUCB-LMOYCYGVSA-N 1 0 261.365 3.000 20 10 CGCDRO Cc1cnn(CCCCC[NH2+][C@H](C)c2ccccc2O)c1 ZINC000879648642 635827148 /nfs/dbraw/zinc/82/71/48/635827148.db2.gz XDNAYJABLPCEJK-OAHLLOKOSA-N 1 0 287.407 3.418 20 10 CGCDRO Cc1cc(C[N@@H+]2CC[C@]3(CC3(F)F)C2)ccc1N(C)C ZINC000844469041 635911099 /nfs/dbraw/zinc/91/10/99/635911099.db2.gz UDYRMNOWLIKRCP-HNNXBMFYSA-N 1 0 280.362 3.292 20 10 CGCDRO COc1cc(C[N@@H+]2CCC[C@H](OC(C)C)C2)c(O)cc1C ZINC000844718467 635956649 /nfs/dbraw/zinc/95/66/49/635956649.db2.gz VRAQVTQQILAVED-HNNXBMFYSA-N 1 0 293.407 3.099 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@H](OC(C)C)C2)c1O ZINC000844718301 635956794 /nfs/dbraw/zinc/95/67/94/635956794.db2.gz GMPIATAITOJCES-HNNXBMFYSA-N 1 0 293.407 3.099 20 10 CGCDRO CC[C@H]1C[N@H+](Cc2cc(C)cc(OC)c2O)[C@@H](CC)CO1 ZINC000844724825 635957292 /nfs/dbraw/zinc/95/72/92/635957292.db2.gz FGJSOKPGIQSODY-GJZGRUSLSA-N 1 0 293.407 3.099 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CNc3ccccc3C2)c1 ZINC000844919284 635983315 /nfs/dbraw/zinc/98/33/15/635983315.db2.gz DKGKTUOWACFMIN-TZMCWYRMSA-N 1 0 298.386 3.088 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CNc2ccccc2C1)c1ccccc1O ZINC000844920365 635984077 /nfs/dbraw/zinc/98/40/77/635984077.db2.gz LPLVBVOZUDYPBQ-OCCSQVGLSA-N 1 0 268.360 3.080 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2ccc(F)nc2)c1 ZINC000930215285 636068841 /nfs/dbraw/zinc/06/88/41/636068841.db2.gz SDXBEAVIVAFNFT-MNOVXSKESA-N 1 0 290.338 3.347 20 10 CGCDRO C[C@H](CO)C1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC000846057349 636139705 /nfs/dbraw/zinc/13/97/05/636139705.db2.gz HICQSFZTSGJXIR-CQSZACIVSA-N 1 0 299.414 3.386 20 10 CGCDRO CCOc1cccc(C[NH2+]Cc2cc(Cl)ccc2O)n1 ZINC000846058456 636140055 /nfs/dbraw/zinc/14/00/55/636140055.db2.gz PEDZTTICEJOELE-UHFFFAOYSA-N 1 0 292.766 3.129 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]C2CC3(CCC3)C2)c1 ZINC000846106902 636144209 /nfs/dbraw/zinc/14/42/09/636144209.db2.gz LKZVQSBPDMVSBB-UHFFFAOYSA-N 1 0 261.365 3.213 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+][C@H]2COc3ccccc3C2)c1O ZINC000846141642 636148982 /nfs/dbraw/zinc/14/89/82/636148982.db2.gz LJHGHOBCZIALKS-TZMCWYRMSA-N 1 0 299.370 3.055 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]Cc2ncc(C)s2)c1O ZINC000846145004 636149414 /nfs/dbraw/zinc/14/94/14/636149414.db2.gz JIEJEYGKLPWPSG-SNVBAGLBSA-N 1 0 278.377 3.017 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@H]2CCO[C@@H](C(C)C)C2)c1O ZINC000846147549 636149877 /nfs/dbraw/zinc/14/98/77/636149877.db2.gz SAIABWXMOHWDJA-HEHGZKQESA-N 1 0 293.407 3.255 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCc3c2cccc3O)c1O ZINC000846145296 636149968 /nfs/dbraw/zinc/14/99/68/636149968.db2.gz MWQKGLCEKLNBHS-ABAIWWIYSA-N 1 0 299.370 3.445 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)CC(F)(F)F)c1O ZINC000846164199 636151277 /nfs/dbraw/zinc/15/12/77/636151277.db2.gz NCMOBYIJHFLDRH-IUCAKERBSA-N 1 0 277.286 3.392 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]CCCCOC(C)C)c1O ZINC000846166492 636152322 /nfs/dbraw/zinc/15/23/22/636152322.db2.gz XVLCPLSAFWYIOX-ZDUSSCGKSA-N 1 0 281.396 3.257 20 10 CGCDRO CCCN(CC)C[C@H](C)[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846169968 636152749 /nfs/dbraw/zinc/15/27/49/636152749.db2.gz LJDYDIXWUFNVNO-UONOGXRCSA-N 1 0 294.439 3.172 20 10 CGCDRO CCO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846169694 636152848 /nfs/dbraw/zinc/15/28/48/636152848.db2.gz RUADCZBWDDODCZ-IACUBPJLSA-N 1 0 279.380 3.009 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]CCc2scnc2C)c1O ZINC000846169993 636153090 /nfs/dbraw/zinc/15/30/90/636153090.db2.gz UEFALFHVWVGAPB-SNVBAGLBSA-N 1 0 292.404 3.059 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2COCc3ccccc32)c1O ZINC000846173427 636153571 /nfs/dbraw/zinc/15/35/71/636153571.db2.gz QTGZRKXJGBQTCF-BLLLJJGKSA-N 1 0 299.370 3.323 20 10 CGCDRO CC[C@@H]1C[C@H]([NH2+][C@@H](C)c2cccc(OC)c2O)CCO1 ZINC000846175184 636153696 /nfs/dbraw/zinc/15/36/96/636153696.db2.gz XNZWOGCBSVNOBB-YNEHKIRRSA-N 1 0 279.380 3.009 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]CCC[N@H+](C)CC(C)C)c1O ZINC000846177425 636153944 /nfs/dbraw/zinc/15/39/44/636153944.db2.gz OWMZIOILLQOGAA-AWEZNQCLSA-N 1 0 294.439 3.029 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]CC2CC(F)(F)C2)c1O ZINC000846172261 636154169 /nfs/dbraw/zinc/15/41/69/636154169.db2.gz XVICPZZHUWAYIH-SECBINFHSA-N 1 0 271.307 3.097 20 10 CGCDRO CO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000846198138 636157924 /nfs/dbraw/zinc/15/79/24/636157924.db2.gz CXJHTTIZPMBAMO-KBRIMQKVSA-N 1 0 276.424 3.361 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)CSC)cc1 ZINC000130735028 636504889 /nfs/dbraw/zinc/50/48/89/636504889.db2.gz FXYMIXINFRWVAS-CYBMUJFWSA-N 1 0 266.454 3.374 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCCN(c3ccccc3)CC2)c1 ZINC000130781433 636512271 /nfs/dbraw/zinc/51/22/71/636512271.db2.gz NEAJVABZUFHWNQ-UHFFFAOYSA-N 1 0 296.414 3.413 20 10 CGCDRO CC[C@H]([NH2+]Cc1cc(C)c(C)cc1O)[C@H]1CCCCO1 ZINC000848574171 636613071 /nfs/dbraw/zinc/61/30/71/636613071.db2.gz AZPIHWHVJQKPAU-DOTOQJQBSA-N 1 0 277.408 3.446 20 10 CGCDRO CCOc1cccc(C[NH2+][C@H](CC)[C@H]2CCCCO2)c1O ZINC000848575571 636614846 /nfs/dbraw/zinc/61/48/46/636614846.db2.gz SNROLJGVHRHYEQ-HUUCEWRRSA-N 1 0 293.407 3.228 20 10 CGCDRO C[C@H]([NH2+]CCc1ccns1)c1cc(Cl)ccc1O ZINC000883247615 636617475 /nfs/dbraw/zinc/61/74/75/636617475.db2.gz QMVZIZIQTQDHJP-VIFPVBQESA-N 1 0 282.796 3.395 20 10 CGCDRO CCc1cccc(C[N@@H+](Cc2ccccc2)C[C@H](C)O)c1O ZINC000848882590 636672177 /nfs/dbraw/zinc/67/21/77/636672177.db2.gz VIUMDYAVSGPWTD-HNNXBMFYSA-N 1 0 299.414 3.338 20 10 CGCDRO CCc1cccc(C[NH+]2C[C@H](C)S[C@@H](C)C2)c1O ZINC000848883306 636672587 /nfs/dbraw/zinc/67/25/87/636672587.db2.gz LYOVWYXSIZUAKF-RYUDHWBXSA-N 1 0 265.422 3.280 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c1O ZINC000848888448 636677009 /nfs/dbraw/zinc/67/70/09/636677009.db2.gz BGEIJYFOAQASIW-DOTOQJQBSA-N 1 0 289.419 3.203 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H]2CCCc3nc(C)ncc32)c1O ZINC000848894652 636678946 /nfs/dbraw/zinc/67/89/46/636678946.db2.gz FYTYVFWBGGAMRN-MRXNPFEDSA-N 1 0 297.402 3.220 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@H](C)c2ccncc2)c1O ZINC000848896830 636680029 /nfs/dbraw/zinc/68/00/29/636680029.db2.gz AZFIISHBLMPSIR-ZDUSSCGKSA-N 1 0 270.376 3.243 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@]2(C)CCO[C@H]2C2CC2)c1O ZINC000848903833 636684432 /nfs/dbraw/zinc/68/44/32/636684432.db2.gz ZYVFGSNQJQIOAK-ROUUACIJSA-N 1 0 289.419 3.249 20 10 CGCDRO CCC[C@]1(CO)CCC[N@@H+]1Cc1cccc(CC)c1O ZINC000848907741 636685299 /nfs/dbraw/zinc/68/52/99/636685299.db2.gz RQKROADXVXCTGB-QGZVFWFLSA-N 1 0 277.408 3.082 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCCC[C@@H]2c2ccnn2C)c1O ZINC000848909038 636686187 /nfs/dbraw/zinc/68/61/87/636686187.db2.gz JDYWNLZYBWXLPH-QGZVFWFLSA-N 1 0 299.418 3.415 20 10 CGCDRO CCc1cccc(C[NH2+]CC[C@H](O)c2ccccc2)c1O ZINC000848912633 636687778 /nfs/dbraw/zinc/68/77/78/636687778.db2.gz UTDFURMCWHGZBI-KRWDZBQOSA-N 1 0 285.387 3.168 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)c1cccc(OC)c1O)[C@@H]1CCCOC1 ZINC000883353301 636695070 /nfs/dbraw/zinc/69/50/70/636695070.db2.gz RSLMTZAUWVGEMM-NFAWXSAZSA-N 1 0 293.407 3.257 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H](CC(=O)OC(C)C)C(C)C)c1 ZINC000848927167 636698841 /nfs/dbraw/zinc/69/88/41/636698841.db2.gz RMKXAQHFSCHWDQ-OAHLLOKOSA-N 1 0 293.407 3.157 20 10 CGCDRO CC[C@@H]([NH2+]C1CCC2(COC2)CC1)c1ccccc1O ZINC000883381407 636723572 /nfs/dbraw/zinc/72/35/72/636723572.db2.gz MCGMAHWBEQIACQ-OAHLLOKOSA-N 1 0 275.392 3.392 20 10 CGCDRO COc1ccc(O)c(C[N@H+](CC(C)C)C(C)C)c1 ZINC000133517095 636915692 /nfs/dbraw/zinc/91/56/92/636915692.db2.gz OVTUIIKINAHSPH-UHFFFAOYSA-N 1 0 251.370 3.267 20 10 CGCDRO COCC[C@H](C)[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850110776 636960891 /nfs/dbraw/zinc/96/08/91/636960891.db2.gz XNOCFEFAATXARL-LBPRGKRZSA-N 1 0 295.423 3.213 20 10 CGCDRO CCC[C@@H](C)C[NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850347833 637022945 /nfs/dbraw/zinc/02/29/45/637022945.db2.gz YMJCXGSWMKDZAI-HUUCEWRRSA-N 1 0 276.424 3.300 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+][C@H]1C[C@@H](O)c2ccccc21 ZINC000850369817 637032689 /nfs/dbraw/zinc/03/26/89/637032689.db2.gz BLLNEYLRGQLRJO-GOEBONIOSA-N 1 0 289.762 3.314 20 10 CGCDRO CCOc1cccc(C[NH2+][C@H]2C[C@H](O)c3ccccc32)c1O ZINC000850371412 637034737 /nfs/dbraw/zinc/03/47/37/637034737.db2.gz JFXXHRRDLKXIKU-HOTGVXAUSA-N 1 0 299.370 3.059 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CCc3ccc(O)cc32)cc1C ZINC000850387476 637042951 /nfs/dbraw/zinc/04/29/51/637042951.db2.gz SALYHVKYKLLQKG-QGZVFWFLSA-N 1 0 283.371 3.486 20 10 CGCDRO CC(C)C[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000134902258 637049783 /nfs/dbraw/zinc/04/97/83/637049783.db2.gz LXPXWEXTSOWGPH-SECBINFHSA-N 1 0 272.186 3.461 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)cc1 ZINC000850409213 637051491 /nfs/dbraw/zinc/05/14/91/637051491.db2.gz NYFNRXGPWCECRO-IPMKNSEASA-N 1 0 296.389 3.320 20 10 CGCDRO C[C@@H](CSCCF)[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000850431231 637058571 /nfs/dbraw/zinc/05/85/71/637058571.db2.gz UVAQMKSTPTYRAB-ZDUSSCGKSA-N 1 0 296.455 3.250 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](C)c2ccccn2)c1O ZINC000850480722 637084414 /nfs/dbraw/zinc/08/44/14/637084414.db2.gz CHVFBRLZHNYJLQ-CHWSQXEVSA-N 1 0 286.375 3.250 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+][C@H]2COC(C)(C)C2)c2c1c(F)ccc2O ZINC000850483560 637086767 /nfs/dbraw/zinc/08/67/67/637086767.db2.gz YQYHFPGSTJTZES-CKYFFXLPSA-N 1 0 279.355 3.237 20 10 CGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)CC3CC3)C2)cc1 ZINC000850488160 637088038 /nfs/dbraw/zinc/08/80/38/637088038.db2.gz LNKUUZCBTSMDGM-UKRRQHHQSA-N 1 0 274.408 3.052 20 10 CGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@H](C(C)C)C3CC3)C2)cc1 ZINC000850487157 637088209 /nfs/dbraw/zinc/08/82/09/637088209.db2.gz GUKUTPHKICXKDH-CRAIPNDOSA-N 1 0 288.435 3.298 20 10 CGCDRO CC[C@H](COCC1CC1)[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000850495156 637091113 /nfs/dbraw/zinc/09/11/13/637091113.db2.gz XMFKWEKYJMXQNM-GXTWGEPZSA-N 1 0 293.407 3.257 20 10 CGCDRO C[C@H]([NH2+][C@@H](C)C1(CO)CC1)c1cc2c(cc1O)CCCC2 ZINC000850517115 637100491 /nfs/dbraw/zinc/10/04/91/637100491.db2.gz QSCNGUHZLDSCLB-STQMWFEESA-N 1 0 289.419 3.083 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H](CO)CC2CC2)c2c1c(F)ccc2O ZINC000850545732 637116688 /nfs/dbraw/zinc/11/66/88/637116688.db2.gz RRPQDKCRYCOGKJ-SCDSUCTJSA-N 1 0 293.382 3.078 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H]2C(C)(C)C2(F)F)c1O ZINC000850552692 637118829 /nfs/dbraw/zinc/11/88/29/637118829.db2.gz PPVJHHACOLMAJT-BXKDBHETSA-N 1 0 285.334 3.343 20 10 CGCDRO C[C@H]([NH2+]CCCc1ccco1)c1cc(F)ccc1O ZINC000850569382 637127813 /nfs/dbraw/zinc/12/78/13/637127813.db2.gz BXBHMOVRIILBMJ-NSHDSACASA-N 1 0 263.312 3.408 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CCOC2(C)C)c(O)c1 ZINC000850570188 637127921 /nfs/dbraw/zinc/12/79/21/637127921.db2.gz FMOHOCZCVOSAOG-KBPBESRZSA-N 1 0 277.408 3.475 20 10 CGCDRO C[N@H+](Cc1ccc(Cl)nc1)Cc1ccccc1O ZINC000109769287 637265800 /nfs/dbraw/zinc/26/58/00/637265800.db2.gz NVXZPDSKCQMRLM-UHFFFAOYSA-N 1 0 262.740 3.073 20 10 CGCDRO COc1cccc(C[NH2+][C@@H]2CCCC[C@H]2SC)c1O ZINC000219167593 637507700 /nfs/dbraw/zinc/50/77/00/637507700.db2.gz CPKZEPSIOSKRMK-TZMCWYRMSA-N 1 0 281.421 3.165 20 10 CGCDRO Oc1ccccc1C[N@H+](CC1CC=CC1)C[C@H]1CCCO1 ZINC000851841902 637519567 /nfs/dbraw/zinc/51/95/67/637519567.db2.gz ZMWOHUCGWZGPPK-QGZVFWFLSA-N 1 0 287.403 3.339 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@H](C)[C@@H]2CCO)cc1 ZINC000852460106 637654988 /nfs/dbraw/zinc/65/49/88/637654988.db2.gz ANGLHBCHFITHHR-YJBOKZPZSA-N 1 0 290.451 3.126 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@H]1CCC3(CCC3)CO1)CC2 ZINC000886730601 637674354 /nfs/dbraw/zinc/67/43/54/637674354.db2.gz HPIQIMBCRNWZHZ-CABCVRRESA-N 1 0 287.403 3.318 20 10 CGCDRO Cc1cc(C[N@@H+]2CC[C@@H]([C@@H]3CCCO3)C2)ccc1N(C)C ZINC000886818645 637705250 /nfs/dbraw/zinc/70/52/50/637705250.db2.gz HRSFBKKEZYRPEA-AEFFLSMTSA-N 1 0 288.435 3.062 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@H+]2CC3(CCC3)OC[C@@H]2C)c1 ZINC000853543063 637865290 /nfs/dbraw/zinc/86/52/90/637865290.db2.gz ZLGLOCHAPNOCTE-AWEZNQCLSA-N 1 0 275.392 3.152 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2cccc(N)c2)c2c1c(F)ccc2O ZINC000854216518 638024586 /nfs/dbraw/zinc/02/45/86/638024586.db2.gz BIEBGBJWQVDJTC-QMTHXVAHSA-N 1 0 286.350 3.452 20 10 CGCDRO COc1ccc(F)c(C[NH2+]Cc2cc(C)c(C)cc2O)c1 ZINC000856801644 638391834 /nfs/dbraw/zinc/39/18/34/638391834.db2.gz VGPFFSIUAPQNBP-UHFFFAOYSA-N 1 0 289.350 3.447 20 10 CGCDRO CC[C@@H](C[C@@](C)(O)CC)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000924899805 638421469 /nfs/dbraw/zinc/42/14/69/638421469.db2.gz HPNDQTORECOUSK-RDJZCZTQSA-N 1 0 277.408 3.041 20 10 CGCDRO CC1(c2ccccc2)C[NH+](Cc2cc(F)ccc2O)C1 ZINC000857057591 638445465 /nfs/dbraw/zinc/44/54/65/638445465.db2.gz BAHXEVFPJJYUFQ-UHFFFAOYSA-N 1 0 271.335 3.305 20 10 CGCDRO Cc1ccc(O)c(C[NH+]2CC(C)(c3ccccc3)C2)c1 ZINC000857058693 638445478 /nfs/dbraw/zinc/44/54/78/638445478.db2.gz RMEQHWPKZHFZBA-UHFFFAOYSA-N 1 0 267.372 3.474 20 10 CGCDRO CN(C)c1cc(F)c(C[NH2+]CC[C@H]2CCCCO2)cc1F ZINC000858157710 638645655 /nfs/dbraw/zinc/64/56/55/638645655.db2.gz MSGVFFQGAOJWPB-CYBMUJFWSA-N 1 0 298.377 3.080 20 10 CGCDRO CN(C)c1cc(F)c(C[NH2+]C2(C3CCC3)CC2)cc1F ZINC000858183549 638650724 /nfs/dbraw/zinc/65/07/24/638650724.db2.gz HUMQHNRBIFMGPR-UHFFFAOYSA-N 1 0 280.362 3.453 20 10 CGCDRO CCC[C@H](C[NH2+]Cc1cc(C)c(C)cc1O)OCC ZINC000858209910 638657031 /nfs/dbraw/zinc/65/70/31/638657031.db2.gz CIYRQTRXGNGIRA-OAHLLOKOSA-N 1 0 265.397 3.304 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)c(Cl)c1 ZINC000858298618 638675304 /nfs/dbraw/zinc/67/53/04/638675304.db2.gz MSHDGUTYEPWGAE-XHDPSFHLSA-N 1 0 281.783 3.011 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2Cc3ccccc3CO2)c1 ZINC000858454007 638723754 /nfs/dbraw/zinc/72/37/54/638723754.db2.gz SPOLTFKDYSYCOT-PBHICJAKSA-N 1 0 297.398 3.493 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCN2CC(F)F)c(O)c1 ZINC000858479081 638734913 /nfs/dbraw/zinc/73/49/13/638734913.db2.gz IGIFFIXBCXMVOC-STQMWFEESA-N 1 0 298.377 3.081 20 10 CGCDRO CC[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccc(F)cc1[O-] ZINC000858490696 638741348 /nfs/dbraw/zinc/74/13/48/638741348.db2.gz LZCJEDZTJXUVKE-CJNGLKHVSA-N 1 0 294.414 3.304 20 10 CGCDRO CCOC(=O)C1=CC[C@@H]([NH2+][C@H](CC)c2ccccc2O)C1 ZINC000858505650 638747616 /nfs/dbraw/zinc/74/76/16/638747616.db2.gz NYHFSIMPPORYJD-UKRRQHHQSA-N 1 0 289.375 3.085 20 10 CGCDRO CCOC(=O)C1=CC[C@@H]([NH2+][C@@H](C)c2ccc(C)cc2O)C1 ZINC000858507453 638748852 /nfs/dbraw/zinc/74/88/52/638748852.db2.gz ZKKTUIMUQJICIJ-GXTWGEPZSA-N 1 0 289.375 3.003 20 10 CGCDRO C/C=C/C[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000858538928 638757482 /nfs/dbraw/zinc/75/74/82/638757482.db2.gz ZEPXDTBUQUYVQN-CDAZIORVSA-N 1 0 270.170 3.381 20 10 CGCDRO C[C@H]([NH2+]C[C@]1(C)CCCCO1)c1cc(F)ccc1O ZINC000927023320 638833072 /nfs/dbraw/zinc/83/30/72/638833072.db2.gz UVBGVLLLYKEUJN-NHYWBVRUSA-N 1 0 267.344 3.141 20 10 CGCDRO Cc1cn(C)nc1C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000929635437 638936176 /nfs/dbraw/zinc/93/61/76/638936176.db2.gz JTAAVEKCVKFJQX-UHFFFAOYSA-N 1 0 299.418 3.379 20 10 CGCDRO CC[C@@H]([NH2+]CCOC1CCSCC1)c1ccccc1O ZINC000930219678 638983764 /nfs/dbraw/zinc/98/37/64/638983764.db2.gz BKZPCRPTDGNJDX-OAHLLOKOSA-N 1 0 295.448 3.345 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCN2CCC(C)CC2)c(O)c1 ZINC000040771638 639896629 /nfs/dbraw/zinc/89/66/29/639896629.db2.gz DKPDBMOAMDXJSS-OAHLLOKOSA-N 1 0 276.424 3.083 20 10 CGCDRO COc1ccc(C[NH2+][C@H](C)CCc2ccco2)c(O)c1 ZINC000040905973 639898650 /nfs/dbraw/zinc/89/86/50/639898650.db2.gz CTCCLEVDVWCQGO-GFCCVEGCSA-N 1 0 275.348 3.105 20 10 CGCDRO COc1cccc(C[NH2+][C@H](C)Cc2ccsc2)c1O ZINC000049154616 640085476 /nfs/dbraw/zinc/08/54/76/640085476.db2.gz VZSOQWICYCRTKE-LLVKDONJSA-N 1 0 277.389 3.183 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC(C)(C)O2)c(O)c1 ZINC000187867932 640101936 /nfs/dbraw/zinc/10/19/36/640101936.db2.gz FJGVFJFSHNUNKX-OLZOCXBDSA-N 1 0 263.381 3.309 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCC(C)(C)O2)cc1C ZINC000189732729 640205042 /nfs/dbraw/zinc/20/50/42/640205042.db2.gz UCYBRJWVVWDHHY-CQSZACIVSA-N 1 0 263.381 3.056 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@H+]2CCSCC[C@H]2C)c1 ZINC000189918728 640213085 /nfs/dbraw/zinc/21/30/85/640213085.db2.gz SMUFSVDUPSSAAN-CYBMUJFWSA-N 1 0 265.422 3.336 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)cc1F ZINC000077325292 640230023 /nfs/dbraw/zinc/23/00/23/640230023.db2.gz HLZLICBWESBBIJ-UHFFFAOYSA-N 1 0 271.335 3.359 20 10 CGCDRO Cc1cc(CC[NH2+]Cc2cc(F)ccc2O)cc(C)c1O ZINC000191575598 640320586 /nfs/dbraw/zinc/32/05/86/640320586.db2.gz LRINJQBQHGFTFC-UHFFFAOYSA-N 1 0 289.350 3.186 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CCS[C@H](C)[C@H]2C)c1 ZINC000245698636 640632653 /nfs/dbraw/zinc/63/26/53/640632653.db2.gz CQQYPODWKRUDND-VXGBXAGGSA-N 1 0 281.421 3.117 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CCS[C@@H](C)[C@H]2C)c1O ZINC000246422427 640674092 /nfs/dbraw/zinc/67/40/92/640674092.db2.gz IHTLUFLUDPHFLS-NEPJUHHUSA-N 1 0 281.421 3.035 20 10 CGCDRO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@H](C)[C@H](C)C2)c1O ZINC000092086288 640730479 /nfs/dbraw/zinc/73/04/79/640730479.db2.gz DWKXZWUFOYOMMV-AOOOYVTPSA-N 1 0 281.783 3.336 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H]2CN2CCCCC2)c1 ZINC000092219087 640732055 /nfs/dbraw/zinc/73/20/55/640732055.db2.gz RLPKPCPFNQUZDC-QGZVFWFLSA-N 1 0 288.435 3.151 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]CCCOCC(F)(F)F ZINC000113320631 640975887 /nfs/dbraw/zinc/97/58/87/640975887.db2.gz FQUNTVGUYDKGBC-UHFFFAOYSA-N 1 0 297.704 3.104 20 10 CGCDRO CC(C)([NH2+]Cc1ccc(O)c(O)c1)c1ccnc(Cl)c1 ZINC001159005507 806030582 /nfs/dbraw/zinc/03/05/82/806030582.db2.gz NTOIAJADQNFHIS-UHFFFAOYSA-N 1 0 292.766 3.171 20 10 CGCDRO c1coc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)c1 ZINC000069716487 798914638 /nfs/dbraw/zinc/91/46/38/798914638.db2.gz GWKFTVMKWYQOAM-UHFFFAOYSA-N 1 0 288.416 3.123 20 10 CGCDRO Cc1cccc(CC[NH2+]Cc2cc(C)ccc2O)c1 ZINC000071409136 798917282 /nfs/dbraw/zinc/91/72/82/798917282.db2.gz UYCBJSUNUPCXDA-UHFFFAOYSA-N 1 0 255.361 3.341 20 10 CGCDRO C[C@H](CC[NH2+]Cc1cc2c(cc1O)OCO2)c1ccccc1 ZINC000378865790 799343620 /nfs/dbraw/zinc/34/36/20/799343620.db2.gz AEIOEASWJKQFAX-CYBMUJFWSA-N 1 0 299.370 3.404 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CC1=CCCOC1 ZINC000379736157 799352958 /nfs/dbraw/zinc/35/29/58/799352958.db2.gz MHBCMGKTRXFGJQ-OCCSQVGLSA-N 1 0 273.376 3.185 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCS[C@@H]1C)c1ccccc1O ZINC000383954365 799410473 /nfs/dbraw/zinc/41/04/73/799410473.db2.gz GZKSWHJFVIANLQ-WXHSDQCUSA-N 1 0 251.395 3.327 20 10 CGCDRO COc1ccc(C[NH2+][C@H](C)CC(C)(C)C)c(O)c1 ZINC000384453025 799415168 /nfs/dbraw/zinc/41/51/68/799415168.db2.gz JVQUSZIRGHSHMM-LLVKDONJSA-N 1 0 251.370 3.315 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C[C@@H](C)CCCO ZINC000384296978 799416161 /nfs/dbraw/zinc/41/61/61/799416161.db2.gz APDDZOCKJNRUMZ-IACUBPJLSA-N 1 0 277.408 3.247 20 10 CGCDRO Cc1sccc1C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000386478237 799437130 /nfs/dbraw/zinc/43/71/30/799437130.db2.gz VSCYCSXHJIHNGS-UHFFFAOYSA-N 1 0 260.406 3.412 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)[C@@H](OC)C2CC2)cc1 ZINC000388317942 799451374 /nfs/dbraw/zinc/45/13/74/799451374.db2.gz VWQCHTAXVSKVFS-KBXCAEBGSA-N 1 0 290.451 3.436 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]CCOCc1ccccc1 ZINC000390180004 799469853 /nfs/dbraw/zinc/46/98/53/799469853.db2.gz JMESHKZKYFIDLR-UHFFFAOYSA-N 1 0 291.778 3.352 20 10 CGCDRO c1cc(N2CCCC2)ccc1C[NH2+]C1CCN(C2CC2)CC1 ZINC000393376139 799486324 /nfs/dbraw/zinc/48/63/24/799486324.db2.gz GWBZSFDYGZTHSV-UHFFFAOYSA-N 1 0 299.462 3.003 20 10 CGCDRO COc1ccc(O)c(C[NH2+]CC(C)(C)C2CCC2)c1 ZINC000395409778 799505155 /nfs/dbraw/zinc/50/51/55/799505155.db2.gz XHEFQALXBYFEAZ-UHFFFAOYSA-N 1 0 263.381 3.317 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2COC(C)(C)C2)cc1 ZINC000396538910 799509172 /nfs/dbraw/zinc/50/91/72/799509172.db2.gz KJPOLRJPHVYBSZ-OAHLLOKOSA-N 1 0 276.424 3.190 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+][C@H]2CS[C@H](C)C2)c1O ZINC000397770284 799520205 /nfs/dbraw/zinc/52/02/05/799520205.db2.gz ACHFYFNHSZJWJU-LDYMZIIASA-N 1 0 287.812 3.038 20 10 CGCDRO C[C@H]([NH2+][C@H]1CSC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000397883449 799522263 /nfs/dbraw/zinc/52/22/63/799522263.db2.gz AUCAFQVAWOYDLC-HUBLWGQQSA-N 1 0 264.438 3.155 20 10 CGCDRO CCOc1cccc(C[N@@H+]2C[C@H](C)C[C@@H]2CC)c1O ZINC000399608850 799539675 /nfs/dbraw/zinc/53/96/75/799539675.db2.gz PZOSTCGGDBSRMK-OCCSQVGLSA-N 1 0 263.381 3.411 20 10 CGCDRO C[C@@]1([NH2+]Cc2ccccc2O)CCN(Cc2ccccc2)C1 ZINC000406007104 799588120 /nfs/dbraw/zinc/58/81/20/799588120.db2.gz QFCALCNZCBRMBX-LJQANCHMSA-N 1 0 296.414 3.146 20 10 CGCDRO CO[C@H]1CC[C@H](C)[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000687212154 799737500 /nfs/dbraw/zinc/73/75/00/799737500.db2.gz HLLSNRHARVFIOD-GWCFXTLKSA-N 1 0 269.772 3.045 20 10 CGCDRO CCOc1cccc(C[N@H+](C[C@H](C)OC)C(C)C)c1O ZINC000688107039 799744809 /nfs/dbraw/zinc/74/48/09/799744809.db2.gz SIRRBSCAUBEBOR-ZDUSSCGKSA-N 1 0 281.396 3.036 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@]2(C)CC2(F)F)c(O)c1 ZINC000689213626 799761940 /nfs/dbraw/zinc/76/19/40/799761940.db2.gz HOYBVLCVYSSYSK-ZWNOBZJWSA-N 1 0 255.308 3.397 20 10 CGCDRO Cc1cnc(CC[NH2+]Cc2c(O)cccc2Cl)c(C)c1 ZINC000689400970 799762704 /nfs/dbraw/zinc/76/27/04/799762704.db2.gz JHTYQNQZADVSNJ-UHFFFAOYSA-N 1 0 290.794 3.390 20 10 CGCDRO C[C@H]([NH2+][C@H]1CC[C@@H](C)SC1)c1ccccc1O ZINC000689608178 799766221 /nfs/dbraw/zinc/76/62/21/799766221.db2.gz HCTZFSABFBWDAJ-WOPDTQHZSA-N 1 0 251.395 3.327 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCC[C@H](CCF)C2)c1O ZINC000689879676 799770032 /nfs/dbraw/zinc/77/00/32/799770032.db2.gz AQVYXPSLAGJJHR-CYBMUJFWSA-N 1 0 251.345 3.272 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(Br)cc1O)C1CC1 ZINC000691500517 799785544 /nfs/dbraw/zinc/78/55/44/799785544.db2.gz HSKAHFLVTANLIX-LBPRGKRZSA-N 1 0 284.197 3.433 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCOC2(C)C)c1 ZINC000693078702 799806434 /nfs/dbraw/zinc/80/64/34/799806434.db2.gz LWPJIBTWQWQPAL-STQMWFEESA-N 1 0 263.381 3.166 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1CCOC1(C)C)c1ccc(N(C)C)cc1 ZINC000693106650 799807186 /nfs/dbraw/zinc/80/71/86/799807186.db2.gz GHKKVTOQNADTAY-UKRRQHHQSA-N 1 0 276.424 3.218 20 10 CGCDRO CCc1cccc(C[NH2+]CCC2SCCS2)c1O ZINC000693777829 799815225 /nfs/dbraw/zinc/81/52/25/799815225.db2.gz TWACUULXFQXOTI-UHFFFAOYSA-N 1 0 283.462 3.240 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(C(C)(C)C)C2)c(O)c1 ZINC000693893516 799817593 /nfs/dbraw/zinc/81/75/93/799817593.db2.gz WYTPIELBBDWGOK-KGLIPLIRSA-N 1 0 276.424 3.224 20 10 CGCDRO CCOc1cccc(C[NH2+]CCC2(F)CCC2)c1O ZINC000702472262 799909161 /nfs/dbraw/zinc/90/91/61/799909161.db2.gz VXLYMEXFQMYXGD-UHFFFAOYSA-N 1 0 267.344 3.163 20 10 CGCDRO Cc1cnc([C@H](C)[NH2+]Cc2ccc(F)c(F)c2[O-])s1 ZINC000703330715 799922459 /nfs/dbraw/zinc/92/24/59/799922459.db2.gz YLKKLHGRYMEFOD-QMMMGPOBSA-N 1 0 284.331 3.286 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(O)c(O)c2)CC(C)(C)C1 ZINC000708338611 799985194 /nfs/dbraw/zinc/98/51/94/799985194.db2.gz BNMIJMYQMLMXFW-DGCLKSJQSA-N 1 0 263.381 3.402 20 10 CGCDRO C[C@@H]1CCC[N@H+](Cc2cc(F)cc(F)c2[O-])CC1 ZINC000708420995 799989329 /nfs/dbraw/zinc/98/93/29/799989329.db2.gz AFUBFRNWYNDLDP-SNVBAGLBSA-N 1 0 255.308 3.292 20 10 CGCDRO CCc1cccc(C[NH2+]Cc2cccc(F)c2)c1O ZINC000709414352 800008632 /nfs/dbraw/zinc/00/86/32/800008632.db2.gz BCXPGOAQIRXFQG-UHFFFAOYSA-N 1 0 259.324 3.384 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCC[C@H]3C[C@H]32)c1 ZINC000710599678 800036816 /nfs/dbraw/zinc/03/68/16/800036816.db2.gz BQBQUPLFMKREPK-WFGGJUAMSA-N 1 0 275.392 3.488 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+][C@@H](C1CCC1)[C@@H]1CCOC1 ZINC000711839049 800075264 /nfs/dbraw/zinc/07/52/64/800075264.db2.gz DQQIRVDCKLWPJH-WBMJQRKESA-N 1 0 295.810 3.340 20 10 CGCDRO COc1cccc(C[NH2+][C@@H]2C[C@@H]3CCCC[C@H]23)c1O ZINC000712401662 800086541 /nfs/dbraw/zinc/08/65/41/800086541.db2.gz GAZBORQKCSFLQV-FPMFFAJLSA-N 1 0 261.365 3.069 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1C[C@@H](OC)C12CCC2)c1ccccc1O ZINC000713480981 800110589 /nfs/dbraw/zinc/11/05/89/800110589.db2.gz OEZJNFJHMCXZBG-NUEKZKHPSA-N 1 0 275.392 3.391 20 10 CGCDRO CO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cc(F)ccc2O)C12CCC2 ZINC000713482977 800110887 /nfs/dbraw/zinc/11/08/87/800110887.db2.gz WTGZSAYMQBCCRR-COLVAYQJSA-N 1 0 279.355 3.140 20 10 CGCDRO C[C@@H]([NH2+]CC[C@@H]1CCCS1)c1ccccc1O ZINC000715617551 800141217 /nfs/dbraw/zinc/14/12/17/800141217.db2.gz BIBKVKIZTOLMKE-NEPJUHHUSA-N 1 0 251.395 3.329 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccns1 ZINC000715957056 800155744 /nfs/dbraw/zinc/15/57/44/800155744.db2.gz ZVZHJKLZOIPSBK-NSHDSACASA-N 1 0 261.394 3.060 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](C)CC2(C)OCCO2)c1 ZINC000715998979 800157860 /nfs/dbraw/zinc/15/78/60/800157860.db2.gz OLZVGDFSAWUUFL-KBPBESRZSA-N 1 0 293.407 3.140 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]C[C@@H]1CC[C@H](C2CC2)O1 ZINC000722319449 800312672 /nfs/dbraw/zinc/31/26/72/800312672.db2.gz JGHQKGKQWINXQN-DZGCQCFKSA-N 1 0 281.783 3.093 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H]1CC[C@H](C2CC2)O1)c1ccccc1O ZINC000722333769 800314748 /nfs/dbraw/zinc/31/47/48/800314748.db2.gz OELJLGHBDNICPD-JLJPHGGASA-N 1 0 275.392 3.391 20 10 CGCDRO Cc1cccc(C[NH2+]C[C@]2(C)CC2(Cl)Cl)c1O ZINC000824765533 800472003 /nfs/dbraw/zinc/47/20/03/800472003.db2.gz NCKMXPQPTJIISQ-LBPRGKRZSA-N 1 0 274.191 3.374 20 10 CGCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2C[C@@H]3C[C@H]2CS3)c1 ZINC000840170376 800495459 /nfs/dbraw/zinc/49/54/59/800495459.db2.gz RTDXLAINACWVIN-STQMWFEESA-N 1 0 293.432 3.085 20 10 CGCDRO Cc1cccc(C[NH2+][C@@]2(C)CCOc3ccccc32)c1O ZINC000897386213 800587410 /nfs/dbraw/zinc/58/74/10/800587410.db2.gz SSIQTRSHJSJQHO-SFHVURJKSA-N 1 0 283.371 3.488 20 10 CGCDRO CC[N@H+](Cc1ccccc1O)[C@H](C)Cc1ccccn1 ZINC001256420915 806891912 /nfs/dbraw/zinc/89/19/12/806891912.db2.gz GWTZAVZLBCOYCZ-CQSZACIVSA-N 1 0 270.376 3.240 20 10 CGCDRO CCOc1ccc(N2CC[NH+](CCCCCF)CC2)cc1 ZINC001117097321 802432237 /nfs/dbraw/zinc/43/22/37/802432237.db2.gz LKQWJNUCOZYTQS-UHFFFAOYSA-N 1 0 294.414 3.347 20 10 CGCDRO CCSCC[C@@H](C)[N@H+](C)Cc1ccc(N)cc1 ZINC001120262816 802737267 /nfs/dbraw/zinc/73/72/67/802737267.db2.gz DTTWWGQQVZHOHC-GFCCVEGCSA-N 1 0 252.427 3.232 20 10 CGCDRO Cc1cc(C)c(N)c(-c2[nH+]ccc3c2ccn3C)c1 ZINC001244592494 803457860 /nfs/dbraw/zinc/45/78/60/803457860.db2.gz VAULPAUAMQWGMF-UHFFFAOYSA-N 1 0 251.333 3.439 20 10 CGCDRO Cc1cc(C[N@@H+]2CC[C@H](O)[C@@H](C)C2)c(C)n1-c1ccccc1 ZINC001137854009 803785083 /nfs/dbraw/zinc/78/50/83/803785083.db2.gz DTRODPBFYOXIQD-LIRRHRJNSA-N 1 0 298.430 3.297 20 10 CGCDRO Cc1cc(C[N@H+]2CC[C@@H](C)[C@@H](O)C2)c(C)n1-c1ccccc1 ZINC001137854314 803786143 /nfs/dbraw/zinc/78/61/43/803786143.db2.gz QYMVVIVNNSVFJQ-KUHUBIRLSA-N 1 0 298.430 3.297 20 10 CGCDRO CO[C@H]1CC[N@H+](Cc2cc(C)n(-c3ccccc3)c2C)C1 ZINC001137855848 803786280 /nfs/dbraw/zinc/78/62/80/803786280.db2.gz HTHYSMIMTRFTTQ-SFHVURJKSA-N 1 0 284.403 3.315 20 10 CGCDRO [O-]c1c(F)cccc1C[N@@H+]1CC[C@@](CF)(C(F)(F)F)C1 ZINC001138123802 803863025 /nfs/dbraw/zinc/86/30/25/803863025.db2.gz MBZAFEHRLWKENK-LBPRGKRZSA-N 1 0 295.251 3.255 20 10 CGCDRO Cc1c(C[N@@H+]2CC[C@H]3O[C@@H](C)C[C@H]3C2)c2ccccc2n1C ZINC001138254334 803882325 /nfs/dbraw/zinc/88/23/25/803882325.db2.gz XJOXKLNMZUDSSZ-ZUEVXXBESA-N 1 0 298.430 3.486 20 10 CGCDRO Cc1c(C[N@H+]2CC[C@@H](N(C)C3CC3)C2)c2ccccc2n1C ZINC001138259883 803885296 /nfs/dbraw/zinc/88/52/96/803885296.db2.gz POGQTDHXRMDHCD-MRXNPFEDSA-N 1 0 297.446 3.155 20 10 CGCDRO Cc1c(C[N@@H+]2CCO[C@H](C(C)C)C2)c2ccccc2n1C ZINC001138258060 803885437 /nfs/dbraw/zinc/88/54/37/803885437.db2.gz JSECERAKKOCUPP-SFHVURJKSA-N 1 0 286.419 3.344 20 10 CGCDRO CCN(CC)c1ccc(CN2C[C@@H](C)[C@@H](F)C2)c(OC)c1 ZINC001138386398 803912557 /nfs/dbraw/zinc/91/25/57/803912557.db2.gz LUBIZPCXGKAWSC-CJNGLKHVSA-N 1 0 294.414 3.331 20 10 CGCDRO CCN(CC)c1ccc(CN2CC[C@H](F)C2)c(OC)c1 ZINC001138386542 803912902 /nfs/dbraw/zinc/91/29/02/803912902.db2.gz QNHSDLFMFPRCRC-AWEZNQCLSA-N 1 0 280.387 3.085 20 10 CGCDRO CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]Cc1ccc(N)cc1 ZINC001246174823 804189684 /nfs/dbraw/zinc/18/96/84/804189684.db2.gz XFNKASRACNLWGU-INIZCTEOSA-N 1 0 298.386 3.108 20 10 CGCDRO Cc1cc(C[N@@H+]2CC[C@@](C)(F)[C@@H](F)C2)ccc1N(C)C ZINC001139669617 804246225 /nfs/dbraw/zinc/24/62/25/804246225.db2.gz DLUNKFJSEUKREA-JKSUJKDBSA-N 1 0 282.378 3.333 20 10 CGCDRO C[C@]1(F)CCCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC001140058242 804364587 /nfs/dbraw/zinc/36/45/87/804364587.db2.gz WDRJVTGLWSZFAT-AWEZNQCLSA-N 1 0 255.308 3.245 20 10 CGCDRO Oc1ccc(F)cc1C[N@@H+]1CCOC[C@@H]1C1CCCCC1 ZINC001140060504 804365110 /nfs/dbraw/zinc/36/51/10/804365110.db2.gz ZAMWUFNJUQQCOI-MRXNPFEDSA-N 1 0 293.382 3.312 20 10 CGCDRO Cc1ccc(C)c(C[NH+]2CC(OCc3ccccc3)C2)c1O ZINC001140179756 804396409 /nfs/dbraw/zinc/39/64/09/804396409.db2.gz OHHDBAWDIAWBQQ-UHFFFAOYSA-N 1 0 297.398 3.410 20 10 CGCDRO Cc1ccc(C)c(C[N@@H+]2CCC[C@H](CF)C2)c1O ZINC001140182717 804397433 /nfs/dbraw/zinc/39/74/33/804397433.db2.gz XZSPRWZEVUSNCU-CYBMUJFWSA-N 1 0 251.345 3.191 20 10 CGCDRO CCCO[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140466478 804443465 /nfs/dbraw/zinc/44/34/65/804443465.db2.gz HBDCEZIVGDFZOR-CYBMUJFWSA-N 1 0 269.772 3.047 20 10 CGCDRO C[N@@H+](Cc1c([O-])cc(F)cc1F)C[C@@H]1CC1(C)C ZINC001140584546 804468020 /nfs/dbraw/zinc/46/80/20/804468020.db2.gz WJPUXGXKQUWAHQ-VIFPVBQESA-N 1 0 255.308 3.148 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H](Oc3cccnc3)C2)c1 ZINC001140621355 804476360 /nfs/dbraw/zinc/47/63/60/804476360.db2.gz YPDRHOVSKLDYIN-KRWDZBQOSA-N 1 0 298.386 3.139 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H](c3ccccn3)C2)c1 ZINC001140621221 804477045 /nfs/dbraw/zinc/47/70/45/804477045.db2.gz RTNQKBSODPGGBT-HNNXBMFYSA-N 1 0 282.387 3.475 20 10 CGCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)c1O ZINC001140749467 804504619 /nfs/dbraw/zinc/50/46/19/804504619.db2.gz AZFIXTLZMKKHKM-ZIAGYGMSSA-N 1 0 275.392 3.418 20 10 CGCDRO Cc1c(O)ccc(C[N@H+](Cc2ccco2)C2CC2)c1O ZINC001140747811 804504897 /nfs/dbraw/zinc/50/48/97/804504897.db2.gz MLZFCXABEFVWPH-UHFFFAOYSA-N 1 0 273.332 3.164 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H](C)[C@@H](F)C2)c(O)c1 ZINC001140850656 804532925 /nfs/dbraw/zinc/53/29/25/804532925.db2.gz PNJKAMKWWNNBJN-DOMZBBRYSA-N 1 0 280.387 3.028 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H]2C)c(O)c1 ZINC001140851858 804533961 /nfs/dbraw/zinc/53/39/61/804533961.db2.gz RRCOCZQFJCHDPB-CYBMUJFWSA-N 1 0 262.397 3.223 20 10 CGCDRO CN(C)c1ccc(CN(C)Cc2cccnc2)c(Cl)c1 ZINC001140921723 804549200 /nfs/dbraw/zinc/54/92/00/804549200.db2.gz OBDCTDIKXXVJCS-UHFFFAOYSA-N 1 0 289.810 3.433 20 10 CGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1Cl)C1CCOCC1 ZINC001140923847 804550753 /nfs/dbraw/zinc/55/07/53/804550753.db2.gz JJHLJIZYZQQDTE-UHFFFAOYSA-N 1 0 296.842 3.407 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@]3(CCO3)C2)c(Cl)c1 ZINC001140926047 804551018 /nfs/dbraw/zinc/55/10/18/804551018.db2.gz YGOBXGFANQRLCM-MRXNPFEDSA-N 1 0 294.826 3.161 20 10 CGCDRO Cc1ccc(C[N@@H+]2CC[C@H](Oc3ncccc3C)C2)c(O)c1 ZINC001140953781 804558175 /nfs/dbraw/zinc/55/81/75/804558175.db2.gz GQWBKZWNPONVOU-INIZCTEOSA-N 1 0 298.386 3.057 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCc3c(F)cccc3C2)c(O)c1 ZINC001140957503 804558447 /nfs/dbraw/zinc/55/84/47/804558447.db2.gz BSIPRGGBSQYJRP-UHFFFAOYSA-N 1 0 271.335 3.398 20 10 CGCDRO CN1CCOc2cc(C[N@@H+]3CCc4ccccc4C3)ccc21 ZINC001141139024 804596712 /nfs/dbraw/zinc/59/67/12/804596712.db2.gz GOKHGTDUWYRQFI-UHFFFAOYSA-N 1 0 294.398 3.074 20 10 CGCDRO C[C@@H]1CCC[N@H+](Cc2ccc3c(c2)OCCN3C)CC1 ZINC001141139860 804596985 /nfs/dbraw/zinc/59/69/85/804596985.db2.gz DCOILIIOXDKOQR-CQSZACIVSA-N 1 0 274.408 3.137 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2ccc3c(c2)OCCN3C)[C@@H](C)C1 ZINC001141143544 804597288 /nfs/dbraw/zinc/59/72/88/804597288.db2.gz DAGVYEHAACNLDC-KGLIPLIRSA-N 1 0 274.408 3.136 20 10 CGCDRO CN1CCOc2cc(C[N@@H+]3CCCC4(CCC4)C3)ccc21 ZINC001141146079 804598356 /nfs/dbraw/zinc/59/83/56/804598356.db2.gz JSJBCPPRCRWDMV-UHFFFAOYSA-N 1 0 286.419 3.281 20 10 CGCDRO CC[N@H+](Cc1ccc(F)cc1)Cc1cc(O)ccc1O ZINC001141161516 804601586 /nfs/dbraw/zinc/60/15/86/804601586.db2.gz SXFMPPPQKHVKAM-UHFFFAOYSA-N 1 0 275.323 3.259 20 10 CGCDRO CC(C)(C)c1cccc(C[N@@H+]2CCOCC23CCC3)c1O ZINC001143112802 804803964 /nfs/dbraw/zinc/80/39/64/804803964.db2.gz YYBUOUZVLGUMJD-UHFFFAOYSA-N 1 0 289.419 3.445 20 10 CGCDRO CC(C)(C)c1cccc(C[N@@H+]2CCOC3(CC3)C2)c1O ZINC001143117150 804805562 /nfs/dbraw/zinc/80/55/62/804805562.db2.gz VKIZOGAQVCKLAP-UHFFFAOYSA-N 1 0 275.392 3.055 20 10 CGCDRO COc1c(F)cc(F)cc1C[N@H+](C)Cc1ccccc1O ZINC001143563087 804865215 /nfs/dbraw/zinc/86/52/15/804865215.db2.gz MJCVNLABPIYKFE-UHFFFAOYSA-N 1 0 293.313 3.311 20 10 CGCDRO Cc1cc(F)cc(C[N@@H+](C)Cc2ccccc2O)c1 ZINC001143619194 804879594 /nfs/dbraw/zinc/87/95/94/804879594.db2.gz LLMWFNXOFBKMPV-UHFFFAOYSA-N 1 0 259.324 3.472 20 10 CGCDRO C[N@H+](Cc1[nH]nc2ccc(F)cc21)Cc1ccccc1O ZINC001144202751 804954569 /nfs/dbraw/zinc/95/45/69/804954569.db2.gz WRSJNQHXDVRAGJ-UHFFFAOYSA-N 1 0 285.322 3.040 20 10 CGCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@@H]2C2CCCCC2)c(O)c1 ZINC001144515329 804997780 /nfs/dbraw/zinc/99/77/80/804997780.db2.gz KGKMFNGPBKQZHO-OAHLLOKOSA-N 1 0 291.391 3.348 20 10 CGCDRO CC(C)(C)c1cc(O)c(C[N@@H+]2CCC[C@H]2CO)cc1Cl ZINC001248879653 805029788 /nfs/dbraw/zinc/02/97/88/805029788.db2.gz CFSHTLXBQVSBTJ-LBPRGKRZSA-N 1 0 297.826 3.300 20 10 CGCDRO C[C@H]1C[N@H+](Cc2cc(Cl)c(C(C)(C)C)cc2O)C[C@@H]1O ZINC001248881141 805032004 /nfs/dbraw/zinc/03/20/04/805032004.db2.gz RGVABSUWLPMRGD-BONVTDFDSA-N 1 0 297.826 3.156 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(-n2cccc2C[NH3+])cc1 ZINC001167589750 807210692 /nfs/dbraw/zinc/21/06/92/807210692.db2.gz LMKNXGSGYIUSBK-UHFFFAOYSA-N 1 0 265.360 3.344 20 10 CGCDRO CSCC[C@@H](C)[NH2+]Cc1c(C)cc(C)cc1O ZINC001258206449 807364257 /nfs/dbraw/zinc/36/42/57/807364257.db2.gz HYLOKFXCSICFDM-GFCCVEGCSA-N 1 0 253.411 3.240 20 10 CGCDRO CCCC[C@@H](CCC)[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001258752989 807594370 /nfs/dbraw/zinc/59/43/70/807594370.db2.gz OMCZSQOEINTONI-CJNGLKHVSA-N 1 0 281.396 3.080 20 10 CGCDRO COc1ccc(N2CC[NH+]([C@@H]3CC[C@@H](C)C3)CC2)c(C)c1 ZINC001170157331 807780074 /nfs/dbraw/zinc/78/00/74/807780074.db2.gz KICYJDQGZTYILC-GDBMZVCRSA-N 1 0 288.435 3.314 20 10 CGCDRO Oc1cccc(Cl)c1C[NH+]1CC(CC2CCOCC2)C1 ZINC001262113555 807827274 /nfs/dbraw/zinc/82/72/74/807827274.db2.gz RXYDNQGDFCLZEF-UHFFFAOYSA-N 1 0 295.810 3.294 20 10 CGCDRO CCCC[C@H](CC(C)C)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001173245334 808553104 /nfs/dbraw/zinc/55/31/04/808553104.db2.gz DPHIYPCKAJIIEJ-RHSMWYFYSA-N 1 0 295.423 3.326 20 10 CGCDRO CCCOc1ccc(C[NH2+]C[C@H](O)C2CCC2)cc1C ZINC001178953585 809896455 /nfs/dbraw/zinc/89/64/55/809896455.db2.gz DUERQLRHQHXDFL-INIZCTEOSA-N 1 0 277.408 3.034 20 10 CGCDRO CO[C@H](C[NH2+]C/C=C/c1ccc(N(C)C)cc1)CC(C)C ZINC001178977884 809896787 /nfs/dbraw/zinc/89/67/87/809896787.db2.gz RGYAIIADJFWSIO-DKFQHHCZSA-N 1 0 290.451 3.417 20 10 CGCDRO CCCN(CCC)c1ccc(C[NH2+][C@H]2C[C@@](C)(O)C2)cc1 ZINC001178977335 809897059 /nfs/dbraw/zinc/89/70/59/809897059.db2.gz KAHQWCYNGVOHPG-MAEOIBBWSA-N 1 0 290.451 3.316 20 10 CGCDRO CCCOc1ccc(C[NH2+]CC[C@@H](O)CCC)cc1C ZINC001179701479 809939117 /nfs/dbraw/zinc/93/91/17/809939117.db2.gz SWXPXNDLNSXMCR-INIZCTEOSA-N 1 0 279.424 3.425 20 10 CGCDRO COc1cc(C)c(C[N@H+](C)Cc2ccsc2)c(O)c1 ZINC001181390499 810049955 /nfs/dbraw/zinc/04/99/55/810049955.db2.gz BWZMAJCDYWSLOD-UHFFFAOYSA-N 1 0 277.389 3.403 20 10 CGCDRO Oc1cc(Cl)ccc1C[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC001183371799 810147263 /nfs/dbraw/zinc/14/72/63/810147263.db2.gz TXIRLVZIMVEPQY-NEPJUHHUSA-N 1 0 283.824 3.231 20 10 CGCDRO c1ccc(OCC[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC001198927662 811551708 /nfs/dbraw/zinc/55/17/08/811551708.db2.gz SAMIKHHYRSFTDN-UHFFFAOYSA-N 1 0 283.371 3.180 20 10 CGCDRO Oc1cccc2c1C[N@H+](Cc1ccc3c(c1)CCC3)CC2 ZINC001203034944 812223175 /nfs/dbraw/zinc/22/31/75/812223175.db2.gz JXVVYPTVDDQRHP-UHFFFAOYSA-N 1 0 279.383 3.439 20 10 CGCDRO CCc1nc(C)c(C[N@@H+](CC)Cc2ccccc2O)[nH]1 ZINC001203247186 812281260 /nfs/dbraw/zinc/28/12/60/812281260.db2.gz USQFMEHCLHNCKS-UHFFFAOYSA-N 1 0 273.380 3.008 20 10 CGCDRO Cc1cccc(CC[N@@H+](C)Cc2ccccc2O)c1 ZINC001203556483 812390807 /nfs/dbraw/zinc/39/08/07/812390807.db2.gz QHBGBUAOMFMZKZ-UHFFFAOYSA-N 1 0 255.361 3.375 20 10 CGCDRO COc1ccc(C[N@@H+]2CC[C@H]3CCC[C@@H]3C2)c(O)c1 ZINC001203621376 812409839 /nfs/dbraw/zinc/40/98/39/812409839.db2.gz BZSJGOAIUSFPEX-CHWSQXEVSA-N 1 0 261.365 3.023 20 10 CGCDRO C[C@]1(CO)CCC[N@H+](Cc2cc(Cl)ccc2O)CC1 ZINC001203651829 812415409 /nfs/dbraw/zinc/41/54/09/812415409.db2.gz XOUGZUUUISRRJP-HNNXBMFYSA-N 1 0 283.799 3.030 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2O)CC[C@@]1(C)O ZINC001203651775 812415532 /nfs/dbraw/zinc/41/55/32/812415532.db2.gz UOYGQOCHHIBVRJ-IAQYHMDHSA-N 1 0 283.799 3.029 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@H](COCC2CC2)C1 ZINC001203664433 812423063 /nfs/dbraw/zinc/42/30/63/812423063.db2.gz FEIOKXILRQLAME-ZDUSSCGKSA-N 1 0 295.810 3.294 20 10 CGCDRO Oc1ccc(C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)cc1O ZINC001203882746 812479710 /nfs/dbraw/zinc/47/97/10/812479710.db2.gz UFEBPNQCWJKLGV-CQSZACIVSA-N 1 0 287.334 3.226 20 10 CGCDRO COc1ccc(C[N@@H+]2CCc3cccc(O)c3C2)cc1C ZINC001203899394 812486575 /nfs/dbraw/zinc/48/65/75/812486575.db2.gz SANFEEHCOBMIGE-UHFFFAOYSA-N 1 0 283.371 3.268 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCCC(=O)[C@@H](C)C2)cc1 ZINC001203936913 812497118 /nfs/dbraw/zinc/49/71/18/812497118.db2.gz QSTWIRHQBKCPFW-HNNXBMFYSA-N 1 0 288.435 3.334 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](CCOC)C(C)C)cc1 ZINC001203939270 812497190 /nfs/dbraw/zinc/49/71/90/812497190.db2.gz OKIFKWBFDIOKIU-UHFFFAOYSA-N 1 0 278.440 3.390 20 10 CGCDRO CCN(CC)c1ccc(CN2CC[N@H+](CC)[C@H](C)C2)cc1 ZINC001203946466 812498753 /nfs/dbraw/zinc/49/87/53/812498753.db2.gz SYUXMROYBNDCEC-MRXNPFEDSA-N 1 0 289.467 3.059 20 10 CGCDRO C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001204232883 812579662 /nfs/dbraw/zinc/57/96/62/812579662.db2.gz LBLPEIWNCSEPJM-ZBFHGGJFSA-N 1 0 298.430 3.251 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](O)CC2)c2ccccc21 ZINC001204232766 812579765 /nfs/dbraw/zinc/57/97/65/812579765.db2.gz IXWKQUAGLVERQO-INIZCTEOSA-N 1 0 298.430 3.253 20 10 CGCDRO Cc1ccccc1O[C@@H]1CC[N@H+](Cc2ccc(O)cc2O)C1 ZINC001204274538 812592323 /nfs/dbraw/zinc/59/23/23/812592323.db2.gz DHYDBGXATPLTHW-MRXNPFEDSA-N 1 0 299.370 3.060 20 10 CGCDRO Oc1ccc(C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)c(O)c1 ZINC001204277703 812593734 /nfs/dbraw/zinc/59/37/34/812593734.db2.gz IQJMXLAZWNAQOS-DOMZBBRYSA-N 1 0 261.365 3.252 20 10 CGCDRO Oc1ccc(C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)c(O)c1 ZINC001204279427 812594227 /nfs/dbraw/zinc/59/42/27/812594227.db2.gz YSEBATNDBDGYMO-ZDUSSCGKSA-N 1 0 287.334 3.226 20 10 CGCDRO CC[N@H+](Cc1ccc(C)cc1)Cc1ccc(O)cc1O ZINC001204277778 812594999 /nfs/dbraw/zinc/59/49/99/812594999.db2.gz LRGJGXPPUIOMHS-UHFFFAOYSA-N 1 0 271.360 3.428 20 10 CGCDRO C[C@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)CCCC1=O ZINC001204325650 812614464 /nfs/dbraw/zinc/61/44/64/812614464.db2.gz SRNARUGIZVTBBY-HNNXBMFYSA-N 1 0 286.419 3.088 20 10 CGCDRO Cc1cc(O)c(CN2CC[NH+](C(C)(C)C)CC2)c(Cl)c1 ZINC001204706647 812713965 /nfs/dbraw/zinc/71/39/65/812713965.db2.gz RAFVOPKFXQZNKZ-UHFFFAOYSA-N 1 0 296.842 3.270 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(CN2CCC[C@@](C)([NH3+])C2)cc1 ZINC001204937562 812785524 /nfs/dbraw/zinc/78/55/24/812785524.db2.gz DWJDBADJONUQNF-LJQANCHMSA-N 1 0 297.446 3.407 20 10 CGCDRO OCC[C@H]1CCCCC[N@@H+]1Cc1ccc(Cl)cc1O ZINC001205772599 813072552 /nfs/dbraw/zinc/07/25/52/813072552.db2.gz CIHTWYUNUOOWMM-CQSZACIVSA-N 1 0 283.799 3.173 20 10 CGCDRO C[C@H]1CC[C@@H](C[NH3+])N(Cc2cccc(C(C)(C)C)c2O)C1 ZINC001205831201 813102020 /nfs/dbraw/zinc/10/20/20/813102020.db2.gz WUMKLOWILQRCPT-ZFWWWQNUSA-N 1 0 290.451 3.249 20 10 CGCDRO C[C@@H]1CC[C@@H](CN)[N@H+](Cc2cc3ccccc3cc2O)C1 ZINC001205843077 813104443 /nfs/dbraw/zinc/10/44/43/813104443.db2.gz RDBRUNJARHXALO-DYVFJYSZSA-N 1 0 284.403 3.105 20 10 CGCDRO CS[C@H]1CC[N@H+](Cc2cc(C(C)C)ccc2O)C1 ZINC001206014426 813166483 /nfs/dbraw/zinc/16/64/83/813166483.db2.gz FKSPBBHFDHOJAP-AWEZNQCLSA-N 1 0 265.422 3.453 20 10 CGCDRO COc1cccc(CC[N@@H+]2CCc3cccc(O)c3C2)c1 ZINC001207432482 813564846 /nfs/dbraw/zinc/56/48/46/813564846.db2.gz DWNKABXAXFTDDK-UHFFFAOYSA-N 1 0 283.371 3.002 20 10 CGCDRO C[C@@H]([NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C)C1CCC1 ZINC001207748639 813644943 /nfs/dbraw/zinc/64/49/43/813644943.db2.gz MKTXWDBKCRUFAA-RDTXWAMCSA-N 1 0 289.467 3.134 20 10 CGCDRO COCCCC[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001209218691 813971071 /nfs/dbraw/zinc/97/10/71/813971071.db2.gz VQCJWQGSHIOWCJ-UHFFFAOYSA-N 1 0 276.424 3.145 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CCO[C@H](C)C2)cc1 ZINC001209516384 814071440 /nfs/dbraw/zinc/07/14/40/814071440.db2.gz FESURGKDXQRLCW-MRXNPFEDSA-N 1 0 284.403 3.315 20 10 CGCDRO CC(=O)[C@H]1CCCC[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC001231590516 818131956 /nfs/dbraw/zinc/13/19/56/818131956.db2.gz GARLVEXAQVQXOP-QGZVFWFLSA-N 1 0 283.371 3.489 20 10 CGCDRO Cc1cc(C)c(C[N@@H+]2CCC[C@@H](CF)C2)c(O)c1 ZINC001231846400 818187114 /nfs/dbraw/zinc/18/71/14/818187114.db2.gz LDDLHLSGKJDFSJ-ZDUSSCGKSA-N 1 0 251.345 3.191 20 10 CGCDRO Cc1cc(C)c(C[NH+]2CC3(C2)C[C@H](F)CS3)c(O)c1 ZINC001231849641 818188751 /nfs/dbraw/zinc/18/87/51/818188751.db2.gz TYVXXHAKVYPCDS-LBPRGKRZSA-N 1 0 281.396 3.038 20 10 CGCDRO CC[N@H+](Cc1cc(Cl)c(C)cc1O)C1CCN(C)CC1 ZINC001231869789 818193479 /nfs/dbraw/zinc/19/34/79/818193479.db2.gz WQJLMZFPLLNWAO-UHFFFAOYSA-N 1 0 296.842 3.270 20 10 CGCDRO Cc1cc(O)c(C[NH+]2CCC3(CCCO3)CC2)cc1Cl ZINC001231870938 818193732 /nfs/dbraw/zinc/19/37/32/818193732.db2.gz WODNIGNSGQABSL-UHFFFAOYSA-N 1 0 295.810 3.499 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2CC[C@H](C)[C@](C)(O)CC2)cc1Cl ZINC001231869314 818193742 /nfs/dbraw/zinc/19/37/42/818193742.db2.gz QGFAPPQDSLFXJG-BLLLJJGKSA-N 1 0 297.826 3.337 20 10 CGCDRO C[C@H]1CC[N@H+](Cc2ccc3ccccc3c2O)CC[C@@H]1O ZINC001231879373 818199088 /nfs/dbraw/zinc/19/90/88/818199088.db2.gz CYPPANYXRFKGNU-GUYCJALGSA-N 1 0 285.387 3.138 20 10 CGCDRO C[N@H+](Cc1ccnc(C(F)(F)F)c1)Cc1ccccc1O ZINC001232239981 818290016 /nfs/dbraw/zinc/29/00/16/818290016.db2.gz DOJPAXGYGRBYDF-UHFFFAOYSA-N 1 0 296.292 3.438 20 10 CGCDRO C[C@@]1(F)CCCC[N@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232258535 818295540 /nfs/dbraw/zinc/29/55/40/818295540.db2.gz AKSKFHNGNRZBLB-CQSZACIVSA-N 1 0 287.762 3.465 20 10 CGCDRO CC[C@@H]1CC[N@H+](Cc2cc(Cl)c(OC)cc2O)C1 ZINC001232271124 818299498 /nfs/dbraw/zinc/29/94/98/818299498.db2.gz NWCYQAIQAVFUOL-SNVBAGLBSA-N 1 0 269.772 3.286 20 10 CGCDRO COc1cc(O)c(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)cc1Cl ZINC001232269589 818299951 /nfs/dbraw/zinc/29/99/51/818299951.db2.gz FXQZSQBRHHUPCV-PHIMTYICSA-N 1 0 281.783 3.142 20 10 CGCDRO CC[N@H+](Cc1ccccc1O)Cc1cc(F)ccc1N ZINC001232511377 818376554 /nfs/dbraw/zinc/37/65/54/818376554.db2.gz NUHLULXIIXXGGN-UHFFFAOYSA-N 1 0 274.339 3.136 20 10 CGCDRO C[C@@H]1CCCC[N@H+](Cc2ccc(N(C)C)cc2O)C1 ZINC001232833709 818451720 /nfs/dbraw/zinc/45/17/20/818451720.db2.gz CXOFTAYDOMVAKL-CYBMUJFWSA-N 1 0 262.397 3.080 20 10 CGCDRO C[N@H+](Cc1cc(Br)co1)Cc1ccccc1O ZINC001232857869 818456056 /nfs/dbraw/zinc/45/60/56/818456056.db2.gz WLCUOGLMRJWZMG-UHFFFAOYSA-N 1 0 296.164 3.380 20 10 CGCDRO Cc1cc(O)cc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)c1 ZINC001232881744 818462786 /nfs/dbraw/zinc/46/27/86/818462786.db2.gz IKIRRNFMYAUXKY-UHFFFAOYSA-N 1 0 284.403 3.399 20 10 CGCDRO Cc1cc(Br)cc(C[N@@H+]2CCC3(CC3)C2)c1O ZINC001233109440 818522946 /nfs/dbraw/zinc/52/29/46/818522946.db2.gz XGIMYFCVGLGDAS-UHFFFAOYSA-N 1 0 296.208 3.449 20 10 CGCDRO CC[N@H+](Cc1cc(C(C)(C)C)ccc1O)CC(C)(C)O ZINC001233286670 818567966 /nfs/dbraw/zinc/56/79/66/818567966.db2.gz FCOXPEBDMIFXEA-UHFFFAOYSA-N 1 0 279.424 3.283 20 10 CGCDRO Oc1ccc(F)c(F)c1CN1CCc2c(F)cccc2C1 ZINC001233335982 818588386 /nfs/dbraw/zinc/58/83/86/818588386.db2.gz TXYYOCFMDUVODC-UHFFFAOYSA-N 1 0 293.288 3.368 20 10 CGCDRO Oc1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@H](F)C1 ZINC001233454446 818623678 /nfs/dbraw/zinc/62/36/78/818623678.db2.gz VJMVTALXIODWDE-NSHDSACASA-N 1 0 277.261 3.345 20 10 CGCDRO CC[NH+]1CCN(c2ccc(O[C@H]3C=CCCC3)cc2)CC1 ZINC001234658020 818908603 /nfs/dbraw/zinc/90/86/03/818908603.db2.gz QXBMGRCRRHRFJV-KRWDZBQOSA-N 1 0 286.419 3.316 20 10 CGCDRO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1ccc(C(C)(C)C)cc1O ZINC001235677140 819136752 /nfs/dbraw/zinc/13/67/52/819136752.db2.gz BRTRPYNPQWYBNE-WFASDCNBSA-N 1 0 277.408 3.035 20 10 CGCDRO C[C@@H]1CC[C@@H](CO)C[N@@H+]1Cc1ccc(C(C)(C)C)cc1O ZINC001235676046 819137194 /nfs/dbraw/zinc/13/71/94/819137194.db2.gz OEWWALBZVOJAFP-ZIAGYGMSSA-N 1 0 291.435 3.283 20 10 CGCDRO C[C@H]1C[N@H+](Cc2ccc(C(C)(C)C)cc2O)CCC[C@H]1O ZINC001235676365 819137229 /nfs/dbraw/zinc/13/72/29/819137229.db2.gz RDUKAZWFBMGOSM-XJKSGUPXSA-N 1 0 291.435 3.283 20 10 CGCDRO CN1CC[N@H+](Cc2ccc(C(C)(C)C)cc2O)CC1(C)C ZINC001235678815 819138745 /nfs/dbraw/zinc/13/87/45/819138745.db2.gz NHUNQALAIKUZRZ-UHFFFAOYSA-N 1 0 290.451 3.216 20 10 CGCDRO CC(C)(C)c1ccc(C[N@H+]2CCC[C@@H]2C(C)(C)O)c(O)c1 ZINC001235678692 819138910 /nfs/dbraw/zinc/13/89/10/819138910.db2.gz LCMVECMMKWJMHQ-MRXNPFEDSA-N 1 0 291.435 3.425 20 10 CGCDRO C[C@H]1CC[C@@H]([NH3+])CN1Cc1cc(Cl)c(Cl)cc1O ZINC001235907542 819217491 /nfs/dbraw/zinc/21/74/91/819217491.db2.gz QLALXRCLWKFPIT-WCBMZHEXSA-N 1 0 289.206 3.011 20 10 CGCDRO CN(Cc1cccc(-c2ccccc2)c1O)C[C@@H]1CCC[NH2+]1 ZINC001236121990 819330624 /nfs/dbraw/zinc/33/06/24/819330624.db2.gz IVWIKLUSOQVBMS-KRWDZBQOSA-N 1 0 296.414 3.243 20 10 CGCDRO CCCC[C@@H]1CN(Cc2c(O)cccc2Cl)CC[NH2+]1 ZINC001236138244 819339088 /nfs/dbraw/zinc/33/90/88/819339088.db2.gz QAYSOGHVWCTEST-GFCCVEGCSA-N 1 0 282.815 3.010 20 10 CGCDRO CN(Cc1c(O)ccc2ccccc21)[C@]1(C)CCC[NH2+]C1 ZINC001236207687 819370375 /nfs/dbraw/zinc/37/03/75/819370375.db2.gz RGTKFGFMLCCMGL-GOSISDBHSA-N 1 0 284.403 3.119 20 10 CGCDRO Nc1ccc2c(c1)C[N@@H+](Cc1c(O)cccc1Cl)CC2 ZINC001236232254 819393460 /nfs/dbraw/zinc/39/34/60/819393460.db2.gz NAMBBPZMDQPGEH-UHFFFAOYSA-N 1 0 288.778 3.186 20 10 CGCDRO C[C@@H]1[C@H]([NH3+])CCCN1Cc1cc(Cl)c(Cl)cc1O ZINC001236416752 819462143 /nfs/dbraw/zinc/46/21/43/819462143.db2.gz CKGSRRIZAYOKRV-PRHODGIISA-N 1 0 289.206 3.011 20 10 CGCDRO Cc1cc(CN2C[C@@H]3CC[C@H]2C[NH2+]3)c(C)n1-c1ccccc1 ZINC001236428317 819474672 /nfs/dbraw/zinc/47/46/72/819474672.db2.gz QBRCKLXXSYJUOL-HKUYNNGSSA-N 1 0 295.430 3.030 20 10 CGCDRO CCc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3OC)c(O)c1 ZINC001236788677 819595305 /nfs/dbraw/zinc/59/53/05/819595305.db2.gz MYICDJAMJWFHCW-HFTRVMKXSA-N 1 0 289.419 3.202 20 10 CGCDRO CCc1ccc(C[N@H+](C)Cc2ccc3c(c2)OCO3)c(O)c1 ZINC001236789638 819595500 /nfs/dbraw/zinc/59/55/00/819595500.db2.gz CODUHLAXWHIXRA-UHFFFAOYSA-N 1 0 299.370 3.315 20 10 CGCDRO CCc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)c(O)c1 ZINC001236786837 819595855 /nfs/dbraw/zinc/59/58/55/819595855.db2.gz QVQSFATWFOOBHX-OKILXGFUSA-N 1 0 281.346 3.432 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CCC(C)(C)C2)c(Cl)c1 ZINC001236797728 819599132 /nfs/dbraw/zinc/59/91/32/819599132.db2.gz AKDHOOYKPNOHLE-UHFFFAOYSA-N 1 0 269.772 3.286 20 10 CGCDRO COc1ccc(C[N@@H+]2CCCC[C@@H](F)C2)c([O-])c1Cl ZINC001236802104 819599603 /nfs/dbraw/zinc/59/96/03/819599603.db2.gz OOOLDCNRMAWXAE-LLVKDONJSA-N 1 0 287.762 3.378 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](OC(C)C)C2)c(Cl)c1 ZINC001236805456 819601183 /nfs/dbraw/zinc/60/11/83/819601183.db2.gz GVTMUKSQZHCZRE-LLVKDONJSA-N 1 0 299.798 3.054 20 10 CGCDRO COc1cc(O)c(C[N@H+](C)CC(C)C)c(Cl)c1 ZINC001236804407 819601383 /nfs/dbraw/zinc/60/13/83/819601383.db2.gz SDPKTKKWLRZYFG-UHFFFAOYSA-N 1 0 257.761 3.142 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CCC[C@@](C)(F)C2)c(O)c1 ZINC001236806900 819601944 /nfs/dbraw/zinc/60/19/44/819601944.db2.gz CGNUJHCEYZACOF-OAHLLOKOSA-N 1 0 267.344 3.033 20 10 CGCDRO COc1cc(C)c(C[NH+]2C[C@@H](C)C[C@H](C)C2)c(O)c1 ZINC001236810957 819604292 /nfs/dbraw/zinc/60/42/92/819604292.db2.gz LYCUYBKDYFYJRI-RYUDHWBXSA-N 1 0 263.381 3.187 20 10 CGCDRO C[C@H]1COCC[N@H+](Cc2cc3ccccc3cc2O)C1 ZINC001236826682 819609259 /nfs/dbraw/zinc/60/92/59/819609259.db2.gz LSFNWJOBEUNFNQ-CYBMUJFWSA-N 1 0 271.360 3.014 20 10 CGCDRO Oc1cc2ccccc2cc1C[N@@H+]1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001236830421 819611879 /nfs/dbraw/zinc/61/18/79/819611879.db2.gz AFWOGJWZQSMRLU-BPUTZDHNSA-N 1 0 271.335 3.478 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2CC[C@H](C)[C@@H](O)CC2)c(O)c1 ZINC001237044810 819649740 /nfs/dbraw/zinc/64/97/40/819649740.db2.gz DSMJAPIKXUXXRC-BBRMVZONSA-N 1 0 277.408 3.108 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2CCCO[C@@H](C)C2)c(O)c1 ZINC001237046637 819650372 /nfs/dbraw/zinc/65/03/72/819650372.db2.gz UKLNMDMMVLOYJY-ZDUSSCGKSA-N 1 0 263.381 3.126 20 10 CGCDRO CC(C)c1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c(O)c1 ZINC001237047615 819650925 /nfs/dbraw/zinc/65/09/25/819650925.db2.gz MSKNQBGTAORGHD-STQMWFEESA-N 1 0 263.381 3.125 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2CCCC(=O)CC2)c(O)c1 ZINC001237052248 819652313 /nfs/dbraw/zinc/65/23/13/819652313.db2.gz SHTZJPOMKGKHHM-UHFFFAOYSA-N 1 0 261.365 3.071 20 10 CGCDRO C[C@@]1(CF)CC[N@H+](Cc2c(O)ccc(F)c2Cl)C1 ZINC001237121832 819674124 /nfs/dbraw/zinc/67/41/24/819674124.db2.gz PTSNCUIQFRXJTM-ZDUSSCGKSA-N 1 0 275.726 3.366 20 10 CGCDRO Oc1ccc(F)c(Cl)c1C[NH+]1CC2CC(C2)C1 ZINC001237131965 819675283 /nfs/dbraw/zinc/67/52/83/819675283.db2.gz ZCGNIBUYMQOZAW-UHFFFAOYSA-N 1 0 255.720 3.027 20 10 CGCDRO Oc1ccc(C(F)(F)F)cc1C[N@@H+]1CCC[C@@H]2C[C@@H]21 ZINC001237142280 819676211 /nfs/dbraw/zinc/67/62/11/819676211.db2.gz GJKFHHHLTKMFJK-SKDRFNHKSA-N 1 0 271.282 3.395 20 10 CGCDRO Cc1cccc(O)c1C[N@H+](C)Cc1ccc(F)cc1 ZINC001237483999 819762336 /nfs/dbraw/zinc/76/23/36/819762336.db2.gz XWQULHDHHNAANU-UHFFFAOYSA-N 1 0 259.324 3.472 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+](C(C)C)C1CCOCC1 ZINC001237496168 819763462 /nfs/dbraw/zinc/76/34/62/819763462.db2.gz WQYIRJAHXWVLRV-UHFFFAOYSA-N 1 0 263.381 3.090 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@H](Oc2cccnc2)C1 ZINC001237490211 819764683 /nfs/dbraw/zinc/76/46/83/819764683.db2.gz SALLLSOCUJPXAW-INIZCTEOSA-N 1 0 298.386 3.139 20 10 CGCDRO COc1cc(C[N@H+](C)Cc2ccccc2)c(O)c(OC)c1 ZINC001237675341 819803420 /nfs/dbraw/zinc/80/34/20/819803420.db2.gz WJTXJCUBVGITDX-UHFFFAOYSA-N 1 0 287.359 3.041 20 10 CGCDRO COc1cc(C[N@@H+]2CCC[C@@](C)(F)CC2)c(O)c(OC)c1 ZINC001237675595 819803846 /nfs/dbraw/zinc/80/38/46/819803846.db2.gz YFEAPHLJVHINGN-MRXNPFEDSA-N 1 0 297.370 3.124 20 10 CGCDRO Cc1cc(Cl)cc(CN2CCc3cccnc3C2)c1O ZINC001237686150 819805516 /nfs/dbraw/zinc/80/55/16/819805516.db2.gz HWVLKAATXYWBAX-UHFFFAOYSA-N 1 0 288.778 3.307 20 10 CGCDRO CCC[N@@H+](Cc1cc(OC)cc(OC)c1O)CC(C)C ZINC001237681877 819805852 /nfs/dbraw/zinc/80/58/52/819805852.db2.gz UIQCHMOSEASPAA-UHFFFAOYSA-N 1 0 281.396 3.277 20 10 CGCDRO COc1cc(C[NH+]2CC(c3ccccc3)C2)c(O)c(OC)c1 ZINC001237679472 819806497 /nfs/dbraw/zinc/80/64/97/819806497.db2.gz VNUUHOMDAVIJPS-UHFFFAOYSA-N 1 0 299.370 3.009 20 10 CGCDRO Cc1ncncc1C[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001238163053 819945391 /nfs/dbraw/zinc/94/53/91/819945391.db2.gz CBHQLUWDLIBHKE-UHFFFAOYSA-N 1 0 296.418 3.017 20 10 CGCDRO CN(C)c1ccc(C2=CC[NH2+]CC2)c2ccccc21 ZINC001240467058 821076022 /nfs/dbraw/zinc/07/60/22/821076022.db2.gz RZMMEFYCYYXBBX-UHFFFAOYSA-N 1 0 252.361 3.283 20 10 CGCDRO CCOCc1cc(C[NH2+]C/C=C\C2CC2)ccc1OC ZINC001343897322 936517190 /nfs/dbraw/zinc/51/71/90/936517190.db2.gz XQTAAGLWZFHAIC-PLNGDYQASA-N 1 0 275.392 3.288 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CCO[C@@H]1CC1(F)F ZINC001346869493 936864587 /nfs/dbraw/zinc/86/45/87/936864587.db2.gz RTCBEGOUKQXYDL-NQBHXWOUSA-N 1 0 297.345 3.263 20 10 CGCDRO CCOc1ccc(C[NH2+][C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)c(O)c1 ZINC001347356083 936880850 /nfs/dbraw/zinc/88/08/50/936880850.db2.gz ILCFWKHZRKWJCL-BNOWGMLFSA-N 1 0 297.345 3.314 20 10 CGCDRO Nc1ccc(CC[NH2+]Cc2ccc3c(c2)CCC3)cc1 ZINC001348515377 936924528 /nfs/dbraw/zinc/92/45/28/936924528.db2.gz LRONZEVUJVJTMO-UHFFFAOYSA-N 1 0 266.388 3.090 20 10 CGCDRO Cc1csc(C[C@H]2CC[N@H+](Cc3ccc(N)cc3)C2)n1 ZINC001356083578 937152869 /nfs/dbraw/zinc/15/28/69/937152869.db2.gz TVHPGDIJEPXXRA-CQSZACIVSA-N 1 0 287.432 3.098 20 10 CGCDRO CC[C@@H](C)N(C)CC[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC000217381305 928155907 /nfs/dbraw/zinc/15/59/07/928155907.db2.gz DGMPULXSOUIKKB-MRXNPFEDSA-N 1 0 291.483 3.353 20 10 CGCDRO CCOCCC[NH2+]Cc1ccc(N(CC)CC)c(F)c1 ZINC000152023682 928244471 /nfs/dbraw/zinc/24/44/71/928244471.db2.gz GEOYXZNTGCUVIB-UHFFFAOYSA-N 1 0 282.403 3.188 20 10 CGCDRO [O-]c1cccc(F)c1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC001561015705 937239193 /nfs/dbraw/zinc/23/91/93/937239193.db2.gz DZQJOIKFJWYLCS-UHFFFAOYSA-N 1 0 281.714 3.180 20 10 CGCDRO C[C@@H]1C[NH+](Cc2ccc(N3CCCC3)cc2)C[C@H]1C ZINC001319822352 928482847 /nfs/dbraw/zinc/48/28/47/928482847.db2.gz CWXCOQARUXREIT-HUUCEWRRSA-N 1 0 258.409 3.375 20 10 CGCDRO OC[C@@H]([NH2+]Cc1ccc(Cl)cc1O)c1ccc(F)cc1 ZINC001462273956 928789542 /nfs/dbraw/zinc/78/95/42/928789542.db2.gz SKFZXIHRMFCRTD-CQSZACIVSA-N 1 0 295.741 3.008 20 10 CGCDRO CCO[C@@H]1CCC[N@H+](Cc2c(C)ccc(C)c2O)C1 ZINC001140179128 931956967 /nfs/dbraw/zinc/95/69/67/931956967.db2.gz HGEHSJMNGORDLC-CQSZACIVSA-N 1 0 263.381 3.010 20 10 CGCDRO CCCCN(C)CC[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC001461180052 937568105 /nfs/dbraw/zinc/56/81/05/937568105.db2.gz PMRZFLWIPNFSLA-FPLPWBNLSA-N 1 0 289.467 3.087 20 10 CGCDRO CC[C@@]1(C)CCC[N@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC001461875162 937602571 /nfs/dbraw/zinc/60/25/71/937602571.db2.gz ICXJLQHIFWYWBP-KRWDZBQOSA-N 1 0 293.407 3.422 20 10 CGCDRO CCC[N@H+](Cc1ccccc1O)C[C@](C)(OC)C1CC1 ZINC001461956652 937609028 /nfs/dbraw/zinc/60/90/28/937609028.db2.gz HCHCNCKJTJYUES-KRWDZBQOSA-N 1 0 277.408 3.419 20 10 CGCDRO COc1cccc(C[NH2+]Cc2cc3ccc(C)cc3[nH]2)c1O ZINC001462194314 937623975 /nfs/dbraw/zinc/62/39/75/937623975.db2.gz YLSXDKJGNZAQIQ-UHFFFAOYSA-N 1 0 296.370 3.480 20 10 CGCDRO COc1cc(C)cc(C[NH+]2CC(Cc3ccccc3)C2)c1O ZINC001462318025 937631877 /nfs/dbraw/zinc/63/18/77/937631877.db2.gz XHEXFUPAYFGENB-UHFFFAOYSA-N 1 0 297.398 3.384 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+][C@@H]2C[C@@H](C)O[C@H]2C)c1 ZINC001462504198 937646007 /nfs/dbraw/zinc/64/60/07/937646007.db2.gz KSZYPPFTWOCQJL-TYNCELHUSA-N 1 0 263.381 3.171 20 10 CGCDRO CCCOc1ccc(C[NH2+]C[C@@H]2CCC[C@@H](O)C2)cc1C ZINC001308281311 933087305 /nfs/dbraw/zinc/08/73/05/933087305.db2.gz AKQJADRKQFDMBO-NVXWUHKLSA-N 1 0 291.435 3.425 20 10 CGCDRO COc1ccc(C[NH2+]CC(C)(C)[C@H](O)C(C)C)cc1C ZINC001308358474 933099899 /nfs/dbraw/zinc/09/98/99/933099899.db2.gz FEMYWQLOAWRYCW-MRXNPFEDSA-N 1 0 279.424 3.136 20 10 CGCDRO Oc1cc(Cl)ccc1CN1CCC[C@H]1C[NH+]1CCCC1 ZINC001308588478 933138412 /nfs/dbraw/zinc/13/84/12/933138412.db2.gz QBBNTLVABXUMDX-HNNXBMFYSA-N 1 0 294.826 3.106 20 10 CGCDRO Oc1cc(Cl)ccc1C[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC001308600175 933140100 /nfs/dbraw/zinc/14/01/00/933140100.db2.gz XWGCIPHOYLWPIB-CYBMUJFWSA-N 1 0 295.810 3.294 20 10 CGCDRO CC[C@@H]1C[N@@H+](Cc2c(C)cc(OC)cc2O)C[C@H](CC)O1 ZINC001308827326 933185708 /nfs/dbraw/zinc/18/57/08/933185708.db2.gz ZMPIDPNLVPURGM-OKILXGFUSA-N 1 0 293.407 3.099 20 10 CGCDRO COc1cc(C)c(C[NH+]2CCC3(CC3(F)F)CC2)c(O)c1 ZINC001308852212 933190511 /nfs/dbraw/zinc/19/05/11/933190511.db2.gz OUPALJATFGQSRF-UHFFFAOYSA-N 1 0 297.345 3.330 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](CC(C)C)CN(C)C ZINC001308971268 933217205 /nfs/dbraw/zinc/21/72/05/933217205.db2.gz RYXYNKDAOCPTIM-KRWDZBQOSA-N 1 0 291.483 3.127 20 10 CGCDRO Fc1cccc(C[NH2+]Cc2ccc(N3CCCC3)cc2)n1 ZINC001319592410 933897023 /nfs/dbraw/zinc/89/70/23/933897023.db2.gz WCXNKRGYSDRUNE-UHFFFAOYSA-N 1 0 285.366 3.111 20 10 CGCDRO C[C@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)C[C@@H]1F ZINC001319908871 933956548 /nfs/dbraw/zinc/95/65/48/933956548.db2.gz YRHDNPAEFMPYDI-YOEHRIQHSA-N 1 0 276.399 3.467 20 10 CGCDRO CN(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC001320072076 933992126 /nfs/dbraw/zinc/99/21/26/933992126.db2.gz QWBCIWJBKWCLON-ZIAGYGMSSA-N 1 0 282.815 3.008 20 10 CGCDRO COc1cccnc1C[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2C ZINC001324551333 934522673 /nfs/dbraw/zinc/52/26/73/934522673.db2.gz PBRWPTLFKNKRAT-QWHCGFSZSA-N 1 0 298.386 3.442 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@H]2C=CCCC2)cc1 ZINC001324610407 934532609 /nfs/dbraw/zinc/53/26/09/934532609.db2.gz OCOUJXZQUYYGDP-MOEXGYKKSA-N 1 0 256.393 3.464 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2C)[C@H](O)C(F)F ZINC001324848807 934865552 /nfs/dbraw/zinc/86/55/52/934865552.db2.gz SATRBKAOBUUFSU-ZVXAKGHKSA-N 1 0 299.361 3.243 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCC[C@@H](F)C2)c1O ZINC001326303927 934968425 /nfs/dbraw/zinc/96/84/25/934968425.db2.gz VMXUXRGDZIDZOE-VXGBXAGGSA-N 1 0 287.762 3.425 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCC[C@H](F)C2)cc1F ZINC001326325504 934971002 /nfs/dbraw/zinc/97/10/02/934971002.db2.gz RBUBCZQEGKQVHH-STQMWFEESA-N 1 0 268.351 3.262 20 10 CGCDRO C[C@H]([NH2+]Cc1cnc(Cl)c(F)c1)c1ccccc1O ZINC001473724134 937819404 /nfs/dbraw/zinc/81/94/04/937819404.db2.gz PSWGRPIIWITORB-VIFPVBQESA-N 1 0 280.730 3.431 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCS[C@@H]2C)cc1Cl ZINC001327892206 935095424 /nfs/dbraw/zinc/09/54/24/935095424.db2.gz OVYPVLQEIZXBDR-SKDRFNHKSA-N 1 0 271.813 3.338 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H](C)c1ccnn1C ZINC001329308202 935203270 /nfs/dbraw/zinc/20/32/70/935203270.db2.gz ZJVPXAHTEXFHRX-UPJWGTAASA-N 1 0 285.391 3.333 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCC[C@@H](F)C2)cc1C ZINC001329497939 935220942 /nfs/dbraw/zinc/22/09/42/935220942.db2.gz ALPSNJSIYHMHJX-KGLIPLIRSA-N 1 0 251.345 3.379 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)[C@H](O)C(C)C ZINC001331401485 935376934 /nfs/dbraw/zinc/37/69/34/935376934.db2.gz ZCKAMQIZHDTXSQ-ZWKOTPCHSA-N 1 0 290.451 3.172 20 10 CGCDRO CCc1cccc(C[NH2+][C@H](C)CC(=O)OC(C)(C)C)c1O ZINC001332985249 935502129 /nfs/dbraw/zinc/50/21/29/935502129.db2.gz OQZZNPYPAHYEBG-GFCCVEGCSA-N 1 0 293.407 3.165 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@H]2CCC[C@@H](F)C2)c1O ZINC001334375496 936100452 /nfs/dbraw/zinc/10/04/52/936100452.db2.gz RPDGWQHKYIRORB-OLZOCXBDSA-N 1 0 267.344 3.080 20 10 CGCDRO CCC1CCC([N@H+](CCO)Cc2ccc(N)cc2)CC1 ZINC001334774173 936112760 /nfs/dbraw/zinc/11/27/60/936112760.db2.gz FPUNDJPSHQVWFO-UHFFFAOYSA-N 1 0 276.424 3.032 20 10 CGCDRO Cc1cc(C[C@H](C)[NH2+]Cc2c(C)c3ccccc3n2C)[nH]n1 ZINC001474069359 937838734 /nfs/dbraw/zinc/83/87/34/937838734.db2.gz SYTNPVFFPHUHNB-LBPRGKRZSA-N 1 0 296.418 3.239 20 10 CGCDRO CCC[N@H+](Cc1ccccc1O)[C@H](C(=O)OC)[C@@H](C)CC ZINC001559570940 938229906 /nfs/dbraw/zinc/22/99/06/938229906.db2.gz HGEINEUCSMUKGI-BBRMVZONSA-N 1 0 293.407 3.192 20 10 CGCDRO CO[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC001560065252 938243254 /nfs/dbraw/zinc/24/32/54/938243254.db2.gz INTMISGCWUKFBJ-GDBMZVCRSA-N 1 0 276.424 3.060 20 10 CGCDRO CCN(C)c1ccc(C[NH2+]C2([C@@H]3CCCO3)CCC2)cc1 ZINC001560227659 938248246 /nfs/dbraw/zinc/24/82/46/938248246.db2.gz SXFUZWFGSBDKPE-KRWDZBQOSA-N 1 0 288.435 3.334 20 10 CGCDRO C[C@H]([NH2+]Cc1nc2ccccc2o1)c1ccccc1O ZINC001560575936 938263567 /nfs/dbraw/zinc/26/35/67/938263567.db2.gz WCBPYQJRVZMPOY-NSHDSACASA-N 1 0 268.316 3.384 20 10 CGCDRO COc1ccc(F)c(C[NH2+]Cc2cc(Cl)ccc2O)c1 ZINC001560912838 938283534 /nfs/dbraw/zinc/28/35/34/938283534.db2.gz DSSHFEMYDTZCOA-UHFFFAOYSA-N 1 0 295.741 3.483 20 10 CGCDRO C[C@H]([NH2+]CCOCc1ccccc1)c1ccccc1O ZINC000183541679 346257346 /nfs/dbraw/zinc/25/73/46/346257346.db2.gz DSCMBZLOLUYKDO-AWEZNQCLSA-N 1 0 271.360 3.260 20 10 CGCDRO CS[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2O)C1 ZINC000117395295 370590039 /nfs/dbraw/zinc/59/00/39/370590039.db2.gz GBKZHNPHNFKRKL-OLZOCXBDSA-N 1 0 251.395 3.156 20 10 CGCDRO CSC[C@H]1CCC[N@@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000135471530 371430883 /nfs/dbraw/zinc/43/08/83/371430883.db2.gz SODSWDHEKVXGFR-CYBMUJFWSA-N 1 0 297.395 3.061 20 10 CGCDRO CCCOc1ccc(C[NH2+]C[C@@H]2CCCSC2)c(O)c1 ZINC000288394215 371737786 /nfs/dbraw/zinc/73/77/86/371737786.db2.gz HJJLCIQCFWJCSD-ZDUSSCGKSA-N 1 0 295.448 3.414 20 10 CGCDRO C[C@H](O)C[C@H]1CCCCC[N@@H+]1Cc1cc(F)ccc1O ZINC000289268544 371752682 /nfs/dbraw/zinc/75/26/82/371752682.db2.gz GCNWZQGSXMOSSX-SWLSCSKDSA-N 1 0 281.371 3.047 20 10 CGCDRO COC1(CC[NH2+]Cc2cccc(Cl)c2[O-])CCC1 ZINC000293589061 372419084 /nfs/dbraw/zinc/41/90/84/372419084.db2.gz IIGOSEGSLXXOPW-UHFFFAOYSA-N 1 0 269.772 3.094 20 10 CGCDRO C[C@H]([NH2+]C[C@H](CO)C1CCCCC1)c1ccccc1O ZINC000293777118 372478722 /nfs/dbraw/zinc/47/87/22/372478722.db2.gz SPPNPWLUWMJVSY-DZGCQCFKSA-N 1 0 277.408 3.232 20 10 CGCDRO CC1(C)C[N@H+](Cc2ccccc2O)[C@H]1c1ccncc1 ZINC000293970637 372541328 /nfs/dbraw/zinc/54/13/28/372541328.db2.gz QOPNTDLXYQHIJN-INIZCTEOSA-N 1 0 268.360 3.370 20 10 CGCDRO OCC1([C@@H]([NH2+]Cc2ccccc2O)c2ccccc2)CCC1 ZINC000293896980 372516688 /nfs/dbraw/zinc/51/66/88/372516688.db2.gz KTKRBNFGSBJMOI-SFHVURJKSA-N 1 0 297.398 3.386 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2O)cc1 ZINC000165242142 372545929 /nfs/dbraw/zinc/54/59/29/372545929.db2.gz RLPYRHXEGDZJNN-XKQJLSEDSA-N 1 0 276.424 3.097 20 10 CGCDRO CC[C@H](C)[C@@H](C[NH2+][C@@H](C)c1cc(F)ccc1O)OC ZINC000294225660 372619552 /nfs/dbraw/zinc/61/95/52/372619552.db2.gz NXCRWKUGESVMIS-ZIBATOQPSA-N 1 0 269.360 3.243 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CC2CCSCC2)c1 ZINC000168773138 372619717 /nfs/dbraw/zinc/61/97/17/372619717.db2.gz YJVKCGBIJHJARI-LBPRGKRZSA-N 1 0 265.422 3.494 20 10 CGCDRO C[N@H+](Cc1ccc(N2CCCCC2)cc1)CC(C)(C)CO ZINC000294686045 372668592 /nfs/dbraw/zinc/66/85/92/372668592.db2.gz BZKODILLZFLCTE-UHFFFAOYSA-N 1 0 290.451 3.127 20 10 CGCDRO CC(C)(CO)CC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000294817011 372672596 /nfs/dbraw/zinc/67/25/96/372672596.db2.gz ONRVKQJZOONRBM-UHFFFAOYSA-N 1 0 292.206 3.197 20 10 CGCDRO CCn1cc([C@@H](C)[NH2+][C@@H](C)c2cc(OC)ccc2O)cn1 ZINC000294970139 372682278 /nfs/dbraw/zinc/68/22/78/372682278.db2.gz XIPIXUVOMLDQKD-NEPJUHHUSA-N 1 0 289.379 3.029 20 10 CGCDRO COc1ncc(C[NH2+]Cc2cccc(C)c2O)cc1Cl ZINC000295121572 372694232 /nfs/dbraw/zinc/69/42/32/372694232.db2.gz XJXJUKRLBXIZBJ-UHFFFAOYSA-N 1 0 292.766 3.047 20 10 CGCDRO C[C@@H](O)c1ccc(C[NH2+][C@@H]2CCc3cccc(O)c32)cc1 ZINC000295954805 372972796 /nfs/dbraw/zinc/97/27/96/372972796.db2.gz LRTCFQPHOBXHIP-MLGOLLRUSA-N 1 0 283.371 3.223 20 10 CGCDRO COCc1ccc(C[NH2+][C@H]2CCc3cccc(O)c32)cc1 ZINC000296095540 373020692 /nfs/dbraw/zinc/02/06/92/373020692.db2.gz UDFSCKZTXIHTHX-INIZCTEOSA-N 1 0 283.371 3.316 20 10 CGCDRO CCn1ccnc1C[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000296641017 373203751 /nfs/dbraw/zinc/20/37/51/373203751.db2.gz YCIKMQTZNPGDFF-JTQLQIEISA-N 1 0 279.771 3.113 20 10 CGCDRO OCC[C@@H]([NH2+][C@@H]1CCc2cccc(O)c21)C1CCCCC1 ZINC000297131492 373256803 /nfs/dbraw/zinc/25/68/03/373256803.db2.gz YYTAYIFIQQBABC-HZPDHXFCSA-N 1 0 289.419 3.300 20 10 CGCDRO Cc1ccc([C@H](O)C[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000179875820 373932478 /nfs/dbraw/zinc/93/24/78/373932478.db2.gz RIPZUEAFWKANFQ-CXAGYDPISA-N 1 0 271.360 3.085 20 10 CGCDRO COc1ccc(O)c(C[N@H+](C)C[C@H](C)c2nccs2)c1 ZINC000183254776 374393906 /nfs/dbraw/zinc/39/39/06/374393906.db2.gz OXCTUGRVYRXDPK-NSHDSACASA-N 1 0 292.404 3.093 20 10 CGCDRO CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H](C)c1ccccc1O ZINC000183629010 374436642 /nfs/dbraw/zinc/43/66/42/374436642.db2.gz SOUKPQGWINECTE-WFASDCNBSA-N 1 0 265.397 3.086 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1ccccc1O ZINC000183666988 374440216 /nfs/dbraw/zinc/44/02/16/374440216.db2.gz YTGWFQBUDPOWEP-UOJCXKCYSA-N 1 0 287.403 3.391 20 10 CGCDRO CCOc1ccc(O)c(C[N@H+](C)[C@H](C)c2cccnc2)c1 ZINC000183727120 374446019 /nfs/dbraw/zinc/44/60/19/374446019.db2.gz QOSZQZZFRIHYJT-CYBMUJFWSA-N 1 0 286.375 3.379 20 10 CGCDRO CCCOc1ccc(C[N@H+](C)Cc2ccncc2)c(O)c1 ZINC000183747806 374450822 /nfs/dbraw/zinc/45/08/22/374450822.db2.gz DXJZMPASNRPBNQ-UHFFFAOYSA-N 1 0 286.375 3.208 20 10 CGCDRO Cc1cc(C[NH2+][C@H](C)c2cc(Cl)ccc2O)on1 ZINC000185357075 374646471 /nfs/dbraw/zinc/64/64/71/374646471.db2.gz NLDCTERQNZWJCS-SECBINFHSA-N 1 0 266.728 3.193 20 10 CGCDRO C[C@@H]([NH2+]CC(C)(C)O)c1ccc(Cl)c(Cl)c1[O-] ZINC000185414032 374659559 /nfs/dbraw/zinc/65/95/59/374659559.db2.gz MCRNOCNFWQBLFL-SSDOTTSWSA-N 1 0 278.179 3.121 20 10 CGCDRO CCC[N@H+](CCO[C@H]1CCCCO1)Cc1ccccc1O ZINC000193060699 375820984 /nfs/dbraw/zinc/82/09/84/375820984.db2.gz MMPOXGAJWQYYPQ-KRWDZBQOSA-N 1 0 293.407 3.147 20 10 CGCDRO Cc1cccc(C[NH2+]C[C@@H]2CCN2C2CCCCC2)c1O ZINC000529642299 375931548 /nfs/dbraw/zinc/93/15/48/375931548.db2.gz TWRFLZXWISWIMK-KRWDZBQOSA-N 1 0 288.435 3.197 20 10 CGCDRO COc1ccc(C[NH2+][C@H](C)CC(C)(C)OC)cc1C ZINC000266145947 378016855 /nfs/dbraw/zinc/01/68/55/378016855.db2.gz IYAGSJLERFUEGB-CYBMUJFWSA-N 1 0 265.397 3.297 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H](C)[C@H](O)c2cccc(F)c2)c1 ZINC000267236962 378034460 /nfs/dbraw/zinc/03/44/60/378034460.db2.gz WUECBOVGBOVRGG-PXAZEXFGSA-N 1 0 289.350 3.051 20 10 CGCDRO CO[C@@H](C[NH2+][C@H](C)c1ccc(N(C)C)cc1)C(C)C ZINC000268891611 378144252 /nfs/dbraw/zinc/14/42/52/378144252.db2.gz DCIKSQLWBJJJPE-CJNGLKHVSA-N 1 0 264.413 3.074 20 10 CGCDRO CCC[N@H+](Cc1ccccc1O)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000271361001 378489413 /nfs/dbraw/zinc/48/94/13/378489413.db2.gz NFYXPLLMCGDSOJ-OIISXLGYSA-N 1 0 289.419 3.418 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)c1cn[nH]c1)c1ccc(N(C)C)cc1 ZINC000271429870 378491090 /nfs/dbraw/zinc/49/10/90/378491090.db2.gz CZECEKVHGGXHDJ-WBMJQRKESA-N 1 0 272.396 3.278 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCO[C@H](C(C)C)C2)c1 ZINC000271574051 378497645 /nfs/dbraw/zinc/49/76/45/378497645.db2.gz UNMUGYJJRLFJRG-PBHICJAKSA-N 1 0 293.407 3.084 20 10 CGCDRO COc1cccc(C[N@H+](C)Cc2cc(OC)ccc2O)c1 ZINC000271719333 378501099 /nfs/dbraw/zinc/50/10/99/378501099.db2.gz CWELKPJEODKJMU-UHFFFAOYSA-N 1 0 287.359 3.041 20 10 CGCDRO Cc1cccc(C[N@H+](C)C[C@H]2OCCc3ccccc32)c1O ZINC000271723831 378502170 /nfs/dbraw/zinc/50/21/70/378502170.db2.gz KVBULLVALKGQST-GOSISDBHSA-N 1 0 297.398 3.446 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCO[C@H](CC(C)C)C2)c1 ZINC000272134589 378569883 /nfs/dbraw/zinc/56/98/83/378569883.db2.gz NMIHAPOWDOEOOM-GDBMZVCRSA-N 1 0 293.407 3.084 20 10 CGCDRO C[C@H](O)[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000272477519 378646369 /nfs/dbraw/zinc/64/63/69/378646369.db2.gz BNMMFUOCVGFBRF-WMLDXEAASA-N 1 0 297.398 3.262 20 10 CGCDRO C[C@@H](O)[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000272477512 378646504 /nfs/dbraw/zinc/64/65/04/378646504.db2.gz BNMMFUOCVGFBRF-PBHICJAKSA-N 1 0 297.398 3.262 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](CO)c2ccc(F)cc2)c1 ZINC000273452821 378748172 /nfs/dbraw/zinc/74/81/72/378748172.db2.gz GJIUOJATZQSXIL-MLGOLLRUSA-N 1 0 289.350 3.224 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCO[C@H](C(C)C)C2)c1 ZINC000273499814 378749744 /nfs/dbraw/zinc/74/97/44/378749744.db2.gz PZWXGXDQLIDRBU-AHIWAGSCSA-N 1 0 293.407 3.255 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCO[C@@H](C(C)C)C2)c1 ZINC000273499818 378750052 /nfs/dbraw/zinc/75/00/52/378750052.db2.gz PZWXGXDQLIDRBU-GDZNZVCISA-N 1 0 293.407 3.255 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCOC2)c(O)c1C ZINC000273621502 378758049 /nfs/dbraw/zinc/75/80/49/378758049.db2.gz ZERJAONBEJQCDU-IHRRRGAJSA-N 1 0 263.381 3.085 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2cnn(C)c2)c(O)c1C ZINC000273569673 378754826 /nfs/dbraw/zinc/75/48/26/378754826.db2.gz KLMHDDHBAWJOKT-OLZOCXBDSA-N 1 0 273.380 3.154 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCc2nccs2)c(O)c1C ZINC000273601744 378755711 /nfs/dbraw/zinc/75/57/11/378755711.db2.gz SBINBHZYSUDCBX-GFCCVEGCSA-N 1 0 276.405 3.359 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccn(C)c1)c1cc2c(cc1O)CCCC2 ZINC000273601787 378756151 /nfs/dbraw/zinc/75/61/51/378756151.db2.gz SCNDCSTVCZEBNG-CYBMUJFWSA-N 1 0 284.403 3.460 20 10 CGCDRO CO[C@H](C[NH2+][C@H](C)c1cc(C)ccc1O)C(C)C ZINC000273609114 378756729 /nfs/dbraw/zinc/75/67/29/378756729.db2.gz VEEGUSOBZAAWKJ-IUODEOHRSA-N 1 0 251.370 3.022 20 10 CGCDRO CC1(C)[C@H]([NH2+]Cc2cc(Cl)ccc2O)[C@@H]2CCCO[C@@H]21 ZINC000371798653 379177015 /nfs/dbraw/zinc/17/70/15/379177015.db2.gz CNYMNTFQZKTWLM-CFVMTHIKSA-N 1 0 295.810 3.339 20 10 CGCDRO Cc1cc(Cl)nc(C[NH2+]Cc2ccc(N(C)C)cc2)c1 ZINC000282043898 379850876 /nfs/dbraw/zinc/85/08/76/379850876.db2.gz OYJNKZVBLQBDHZ-UHFFFAOYSA-N 1 0 289.810 3.399 20 10 CGCDRO CC[C@@H]([NH2+]CC1([S@](C)=O)CCC1)c1ccc(C)cc1O ZINC000281137333 379819233 /nfs/dbraw/zinc/81/92/33/379819233.db2.gz UHVJVYFQTMFCFH-VLIAUNLRSA-N 1 0 295.448 3.043 20 10 CGCDRO COC(=O)[C@H]1CC[C@@H]([NH2+][C@H](C)c2c(C)cc(C)cc2O)C1 ZINC000285032177 380143243 /nfs/dbraw/zinc/14/32/43/380143243.db2.gz HUNDZVABYULIEK-HZSPNIEDSA-N 1 0 291.391 3.001 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCCc2cnn(C)c2)c(O)c1 ZINC000284009043 380115119 /nfs/dbraw/zinc/11/51/19/380115119.db2.gz IBWVKPLSWMRAFV-AWEZNQCLSA-N 1 0 287.407 3.026 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]CC(C)(C)C[C@H](C)O)c(O)c1 ZINC000285451622 380148694 /nfs/dbraw/zinc/14/86/94/380148694.db2.gz ZNBSXFOSUTUKLG-KBPBESRZSA-N 1 0 279.424 3.457 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CC2CCOCC2)c(O)c1 ZINC000284168948 380132998 /nfs/dbraw/zinc/13/29/98/380132998.db2.gz QHBRBAWZDUVACR-CYBMUJFWSA-N 1 0 263.381 3.086 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1 ZINC000365624086 382290786 /nfs/dbraw/zinc/29/07/86/382290786.db2.gz SITTXTURUONFQG-IRXDYDNUSA-N 1 0 287.403 3.234 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCc3nc[nH]c3C2)cc1 ZINC000368105564 382364188 /nfs/dbraw/zinc/36/41/88/382364188.db2.gz UDYAHSXMSPDCHZ-UKRRQHHQSA-N 1 0 298.434 3.074 20 10 CGCDRO CCOCCC[N@H+](C)Cc1ccc(N(CC)CC)cc1 ZINC000741775697 572521782 /nfs/dbraw/zinc/52/17/82/572521782.db2.gz XNQXSTJNEGRCBI-UHFFFAOYSA-N 1 0 278.440 3.391 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCO[C@@H](c3ccsc3)C2)c1 ZINC000093768563 392239378 /nfs/dbraw/zinc/23/93/78/392239378.db2.gz MJCDMHCWNNPUDU-MRXNPFEDSA-N 1 0 289.400 3.336 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CCC[C@H]2CSC)c1O ZINC000093761031 392239554 /nfs/dbraw/zinc/23/95/54/392239554.db2.gz WFQYUMHWBVOWCZ-ZDUSSCGKSA-N 1 0 281.421 3.118 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC2(O)CCCCC2)c1 ZINC000087017117 392225463 /nfs/dbraw/zinc/22/54/63/392225463.db2.gz XDFDRMDYCVOVKK-CYBMUJFWSA-N 1 0 263.381 3.046 20 10 CGCDRO CO[C@@H](C)C[N@H+](C)Cc1c(O)ccc2ccccc21 ZINC000285034224 392317609 /nfs/dbraw/zinc/31/76/09/392317609.db2.gz GILBOHNXTAJGTH-LBPRGKRZSA-N 1 0 259.349 3.012 20 10 CGCDRO CC[C@@H](CSC)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296869313 392563476 /nfs/dbraw/zinc/56/34/76/392563476.db2.gz NVCKAQWVSRSIAI-NWDGAFQWSA-N 1 0 251.395 3.111 20 10 CGCDRO Cc1cc(O)c(C[N@@H+](C)[C@@H]2CCCc3c2cnn3C)cc1C ZINC000162721380 392599481 /nfs/dbraw/zinc/59/94/81/392599481.db2.gz NGFBPWGOBILVDR-MRXNPFEDSA-N 1 0 299.418 3.252 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)C1CCOCC1)c1ccccc1O ZINC000156371798 392546390 /nfs/dbraw/zinc/54/63/90/392546390.db2.gz DXYZIHPPEWJIAR-WFASDCNBSA-N 1 0 263.381 3.248 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCCCOC)cc1 ZINC000178107368 392671697 /nfs/dbraw/zinc/67/16/97/392671697.db2.gz PKVCOKZOKHAARX-CQSZACIVSA-N 1 0 264.413 3.220 20 10 CGCDRO CC[C@@H]([NH2+]CC1CCOCC1)c1ccc(N(C)C)cc1 ZINC000178280464 392676084 /nfs/dbraw/zinc/67/60/84/392676084.db2.gz WRRATLAZCHWEOM-QGZVFWFLSA-N 1 0 276.424 3.220 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H](C)CC(C)(C)OC)c1O ZINC000174556381 392643521 /nfs/dbraw/zinc/64/35/21/392643521.db2.gz GDRYAIYHYDYCPW-LBPRGKRZSA-N 1 0 281.396 3.084 20 10 CGCDRO Cn1cccc1[C@@H]1CCCC[N@@H+]1Cc1ccccc1O ZINC000179584232 392703524 /nfs/dbraw/zinc/70/35/24/392703524.db2.gz QZQVRTNUCSUNSK-INIZCTEOSA-N 1 0 270.376 3.458 20 10 CGCDRO CSC1(C[NH2+]Cc2cc(Cl)cc(C)c2O)CC1 ZINC000193366381 392875720 /nfs/dbraw/zinc/87/57/20/392875720.db2.gz DFHRIGMAPROMGX-UHFFFAOYSA-N 1 0 271.813 3.339 20 10 CGCDRO CCCN(c1ccc(C[NH3+])cc1)C1CCC(OC)CC1 ZINC000194981220 392949207 /nfs/dbraw/zinc/94/92/07/392949207.db2.gz OSIDOORFXHFZTI-UHFFFAOYSA-N 1 0 276.424 3.319 20 10 CGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H](C)c1ccnn1C ZINC000358995806 393531913 /nfs/dbraw/zinc/53/19/13/393531913.db2.gz BQXUTJUYFDGLDZ-CYBMUJFWSA-N 1 0 282.391 3.071 20 10 CGCDRO Cc1nn(C)cc1[C@H](C)[NH2+]Cc1c(C)c2ccccc2n1C ZINC000359003577 393533804 /nfs/dbraw/zinc/53/38/04/393533804.db2.gz RZTGEDXFAYBUMK-ZDUSSCGKSA-N 1 0 296.418 3.379 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc3c(c2)OCO3)c(O)c1 ZINC000020124475 171007300 /nfs/dbraw/zinc/00/73/00/171007300.db2.gz OMSZKTVJDRJJQY-GFCCVEGCSA-N 1 0 285.343 3.280 20 10 CGCDRO CC[C@H]([NH2+]C[C@H](C)N1CCCCC1)c1ccccc1O ZINC000038028408 174016413 /nfs/dbraw/zinc/01/64/13/174016413.db2.gz USJOBFYQYOVMNU-HOCLYGCPSA-N 1 0 276.424 3.307 20 10 CGCDRO COc1ccc(C[NH2+]Cc2scnc2C)cc1C ZINC000071212920 176084953 /nfs/dbraw/zinc/08/49/53/176084953.db2.gz QAVUDQVUFIXTRJ-UHFFFAOYSA-N 1 0 262.378 3.058 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H](C)Cc2ccsc2)c1 ZINC000071408376 176156863 /nfs/dbraw/zinc/15/68/63/176156863.db2.gz OQDYUBNXBAJTAT-GFCCVEGCSA-N 1 0 261.390 3.483 20 10 CGCDRO CC[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000152164759 261060449 /nfs/dbraw/zinc/06/04/49/261060449.db2.gz UQVRUJYZBHJSTE-CHWSQXEVSA-N 1 0 280.387 3.111 20 10 CGCDRO CC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000154460284 261091795 /nfs/dbraw/zinc/09/17/95/261091795.db2.gz FRRDFEWYFFMGGN-MAUKXSAKSA-N 1 0 290.451 3.489 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)Cc1cc(C)n[nH]1)c1ccccc1O ZINC000156770752 261131279 /nfs/dbraw/zinc/13/12/79/261131279.db2.gz RRIJQTZFEOSKKT-NHYWBVRUSA-N 1 0 273.380 3.096 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H](C)C[C@@H](C)O)cc1 ZINC000157620416 261149252 /nfs/dbraw/zinc/14/92/52/261149252.db2.gz XBPYFASEFQUELM-ZNMIVQPWSA-N 1 0 278.440 3.200 20 10 CGCDRO C[C@@H]([NH2+]CC(C)(C)O)c1ccc(N2CCCCCC2)cc1 ZINC000160624661 261220562 /nfs/dbraw/zinc/22/05/62/261220562.db2.gz FAFSLUTWXTTYQA-OAHLLOKOSA-N 1 0 290.451 3.489 20 10 CGCDRO C[C@@H]([NH2+]C1CCOCC1)c1cc2c(cc1O)CCCC2 ZINC000185078872 262040181 /nfs/dbraw/zinc/04/01/81/262040181.db2.gz YENFMJFITDGBAB-GFCCVEGCSA-N 1 0 275.392 3.101 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)c2cccc(F)c2)c(O)c1 ZINC000185162882 262044501 /nfs/dbraw/zinc/04/45/01/262044501.db2.gz YIWLUJJWFDLGRJ-SJCJKPOMSA-N 1 0 289.350 3.224 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@](C)(O)c2ccccc2)c(O)c1 ZINC000185454319 262055326 /nfs/dbraw/zinc/05/53/26/262055326.db2.gz WCSGMRUMMLBNBV-KSSFIOAISA-N 1 0 285.387 3.259 20 10 CGCDRO Cc1noc(C)c1C[C@@H](C)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000185502086 262056920 /nfs/dbraw/zinc/05/69/20/262056920.db2.gz HZTJWMSZTWWFBM-NXEZZACHSA-N 1 0 292.354 3.418 20 10 CGCDRO C[C@H]([NH2+]C[C@@H](O)c1ccsc1)c1cc(Cl)ccc1O ZINC000185512776 262058140 /nfs/dbraw/zinc/05/81/40/262058140.db2.gz IDMIATRUMMIRGS-LKFCYVNXSA-N 1 0 297.807 3.491 20 10 CGCDRO C[C@@H](C[NH2+][C@@H](C)c1cc(Cl)ccc1O)C[C@H](C)O ZINC000185520980 262058936 /nfs/dbraw/zinc/05/89/36/262058936.db2.gz FRQQFKSRFPOQJT-VWYCJHECSA-N 1 0 271.788 3.103 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](OC)C(C)(C)C)c1 ZINC000185617666 262062457 /nfs/dbraw/zinc/06/24/57/262062457.db2.gz BFLRDRNJLJGHQV-ABAIWWIYSA-N 1 0 281.396 3.113 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCc2ccccn2)c1 ZINC000186140694 262081755 /nfs/dbraw/zinc/08/17/55/262081755.db2.gz ONSYPOJUCJDQEW-CYBMUJFWSA-N 1 0 286.375 3.079 20 10 CGCDRO CCOCCC1(C[NH2+][C@H](C)c2cc(F)ccc2O)CC1 ZINC000186155682 262081763 /nfs/dbraw/zinc/08/17/63/262081763.db2.gz KRNIFDQHPLQVTP-GFCCVEGCSA-N 1 0 281.371 3.389 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@]2(O)CCc3ccccc32)c(O)c1 ZINC000186165860 262082539 /nfs/dbraw/zinc/08/25/39/262082539.db2.gz PIANXGWHCWFHQY-AUUYWEPGSA-N 1 0 297.398 3.185 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(N(C)C)n2)c1 ZINC000186179184 262083846 /nfs/dbraw/zinc/08/38/46/262083846.db2.gz PXGYTRLBNLMIJX-CYBMUJFWSA-N 1 0 285.391 3.012 20 10 CGCDRO CCCOc1ccc(C[NH2+]CC(C)(C)OCC)c(O)c1 ZINC000186540699 262097940 /nfs/dbraw/zinc/09/79/40/262097940.db2.gz CVYXBOUEONJORA-UHFFFAOYSA-N 1 0 281.396 3.086 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1CCCN1C)c1ccc2ccccc2c1O ZINC000185142127 262302926 /nfs/dbraw/zinc/30/29/26/262302926.db2.gz XTIAGWVGASWRGY-DZGCQCFKSA-N 1 0 284.403 3.290 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)c2ccsc2)c(O)c1 ZINC000185513640 262305861 /nfs/dbraw/zinc/30/58/61/262305861.db2.gz JBSJTVCCWXXGJO-NHYWBVRUSA-N 1 0 277.389 3.146 20 10 CGCDRO CC(C)O[C@@H]1C[C@H]([NH2+]Cc2ccccc2O)C1(C)C ZINC000274286326 263022661 /nfs/dbraw/zinc/02/26/61/263022661.db2.gz LEZTVHSOPDTTEG-LSDHHAIUSA-N 1 0 263.381 3.074 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@H]2CCSC2)c(O)c1 ZINC000285051411 263089562 /nfs/dbraw/zinc/08/95/62/263089562.db2.gz INJUEARGOQVXNN-RYUDHWBXSA-N 1 0 251.395 3.165 20 10 CGCDRO CCC[N@H+](Cc1c(C)noc1C)Cc1ccccc1O ZINC000299569329 263247320 /nfs/dbraw/zinc/24/73/20/263247320.db2.gz BCPRVWXHFYHFIN-UHFFFAOYSA-N 1 0 274.364 3.409 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1OCCc2ccccc21)c1ccccc1O ZINC000367769041 267116338 /nfs/dbraw/zinc/11/63/38/267116338.db2.gz MJRDVCCXPRTXPW-FZKQIMNGSA-N 1 0 283.371 3.357 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1OCCc2ccccc21)c1ccccc1O ZINC000367769043 267116601 /nfs/dbraw/zinc/11/66/01/267116601.db2.gz MJRDVCCXPRTXPW-UGSOOPFHSA-N 1 0 283.371 3.357 20 10 CGCDRO Oc1ccccc1C[NH2+][C@H]1COc2c1cccc2Cl ZINC000370463733 267320207 /nfs/dbraw/zinc/32/02/07/267320207.db2.gz LRVOTQRSHZXPSR-ZDUSSCGKSA-N 1 0 275.735 3.269 20 10 CGCDRO CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCc3cccc(O)c32)C12CCC2 ZINC000297834009 276347751 /nfs/dbraw/zinc/34/77/51/276347751.db2.gz RYIYUTVWBRSGDQ-NUEKZKHPSA-N 1 0 287.403 3.317 20 10 CGCDRO CC[C@H]([NH2+]C[C@H]1CCCCO1)c1ccc(C)cc1O ZINC000280262216 288049100 /nfs/dbraw/zinc/04/91/00/288049100.db2.gz XHSALRLAAFKGRB-HIFRSBDPSA-N 1 0 263.381 3.310 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)c1cc(Cl)ccc1O)C(C)(C)O ZINC000294929057 288080160 /nfs/dbraw/zinc/08/01/60/288080160.db2.gz HHZXSBLQHZNNHI-RNCFNFMXSA-N 1 0 271.788 3.246 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+][C@@H]1CCOC3(CCC3)C1)CC2 ZINC000296676029 280454470 /nfs/dbraw/zinc/45/44/70/280454470.db2.gz GEVWTZKZTKWQOM-ZIAGYGMSSA-N 1 0 273.376 3.071 20 10 CGCDRO CC[C@@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccccc1O ZINC000157023522 327613734 /nfs/dbraw/zinc/61/37/34/327613734.db2.gz GPLNKSZDIANEAR-FSDCSDTHSA-N 1 0 287.403 3.391 20 10 CGCDRO Cc1ccccc1[C@H](O)C[NH2+][C@@H](C)c1ccccc1O ZINC000179903106 327803796 /nfs/dbraw/zinc/80/37/96/327803796.db2.gz VXPIMZDYOQUMMB-SUMWQHHRSA-N 1 0 271.360 3.085 20 10 CGCDRO CC[C@@H]([NH2+]CCCCn1ccnc1C)c1ccccc1O ZINC000183315684 327819095 /nfs/dbraw/zinc/81/90/95/327819095.db2.gz WUGHAQMRAZATMD-MRXNPFEDSA-N 1 0 287.407 3.418 20 10 CGCDRO CC[C@@H]([NH2+][C@H]1CCCOCC1)c1ccc(N(C)C)cc1 ZINC000183343282 327819599 /nfs/dbraw/zinc/81/95/99/327819599.db2.gz IAXDKTPOYDOWMJ-DOTOQJQBSA-N 1 0 276.424 3.362 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCO[C@H](C)C2)c(O)c1 ZINC000273472181 327916378 /nfs/dbraw/zinc/91/63/78/327916378.db2.gz JWKOVUZHGRQYRB-RDBSUJKOSA-N 1 0 263.381 3.166 20 10 CGCDRO CC[C@H](C[NH2+][C@H](C)c1cc(Cl)ccc1O)OC ZINC000290049180 328257764 /nfs/dbraw/zinc/25/77/64/328257764.db2.gz DYVFPRINMWVZSY-MWLCHTKSSA-N 1 0 257.761 3.121 20 10 CGCDRO c1cc(C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)cc2c1OCC2 ZINC000403706234 327341404 /nfs/dbraw/zinc/34/14/04/327341404.db2.gz DSUWIDMLWPSMCK-XPKDYRNWSA-N 1 0 257.377 3.147 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CC2CCSCC2)c(O)c1 ZINC000168774425 329061420 /nfs/dbraw/zinc/06/14/20/329061420.db2.gz UBJOIBXNRYQSRN-GFCCVEGCSA-N 1 0 265.422 3.494 20 10 CGCDRO Cc1ccccc1[C@H]1C[N@H+](Cc2ccccc2O)CCO1 ZINC000360042987 329070402 /nfs/dbraw/zinc/07/04/02/329070402.db2.gz ZSHXEWGZFUFQMG-GOSISDBHSA-N 1 0 283.371 3.274 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21)c1cc(F)ccc1O ZINC000185774243 329331642 /nfs/dbraw/zinc/33/16/42/329331642.db2.gz ZMASTTXXAVUUTP-UOJODKQESA-N 1 0 279.355 3.140 20 10 CGCDRO [O-]c1c(Cl)cccc1C[N@@H+]1CCCC2(CC2)C1 ZINC000186614230 329346362 /nfs/dbraw/zinc/34/63/62/329346362.db2.gz PSSWSEAQZBNYBI-UHFFFAOYSA-N 1 0 251.757 3.422 20 10 CGCDRO CCOc1ccc(C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)c(O)c1 ZINC000527737251 330279004 /nfs/dbraw/zinc/27/90/04/330279004.db2.gz GRDXPIPCQFPSOQ-NFAWXSAZSA-N 1 0 275.392 3.317 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H](n1cccn1)C(F)(F)F)c1ccccc1O ZINC000527929689 330297227 /nfs/dbraw/zinc/29/72/27/330297227.db2.gz FAQZDNQLGYIGBI-ZWNOBZJWSA-N 1 0 299.296 3.043 20 10 CGCDRO C[C@H](CO)CCC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000230159397 333315491 /nfs/dbraw/zinc/31/54/91/333315491.db2.gz RAGZNOCZIUCDNX-INIZCTEOSA-N 1 0 290.451 3.175 20 10 CGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H]1CSC[C@H]1C ZINC000397811245 333429015 /nfs/dbraw/zinc/42/90/15/333429015.db2.gz YWIRLMMDYUZCAP-RISCZKNCSA-N 1 0 274.433 3.328 20 10 CGCDRO CC[C@H](N[C@H]1CC[NH2+]C12CCC2)c1ccc(C)cc1O ZINC000530214148 333528153 /nfs/dbraw/zinc/52/81/53/333528153.db2.gz BHMPCOXLPOFAMJ-HOCLYGCPSA-N 1 0 274.408 3.026 20 10 CGCDRO CC[C@H](N[C@@H]1CC[NH2+]C12CCC2)c1ccc(C)cc1O ZINC000530214147 333528206 /nfs/dbraw/zinc/52/82/06/333528206.db2.gz BHMPCOXLPOFAMJ-GOEBONIOSA-N 1 0 274.408 3.026 20 10 CGCDRO Cc1ncsc1CC[NH2+][C@@H](C)c1ccccc1O ZINC000271611649 334745312 /nfs/dbraw/zinc/74/53/12/334745312.db2.gz BCBFAQWELANKHR-JTQLQIEISA-N 1 0 262.378 3.050 20 10 CGCDRO CCOCc1cc(C[NH2+]CCSC(C)C)ccc1OC ZINC000289959663 520184712 /nfs/dbraw/zinc/18/47/12/520184712.db2.gz CKOOLPOMNCAVEP-UHFFFAOYSA-N 1 0 297.464 3.463 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCC[C@H](C)CO)cc1 ZINC000271595012 520284370 /nfs/dbraw/zinc/28/43/70/520284370.db2.gz YUSFWYIPSZFZII-LSDHHAIUSA-N 1 0 278.440 3.202 20 10 CGCDRO CCCOc1ccc(C[N@H+](CC)C[C@@H](C)OC)c(O)c1 ZINC000291103069 520344051 /nfs/dbraw/zinc/34/40/51/520344051.db2.gz RPOYAEAJRJCFKJ-CYBMUJFWSA-N 1 0 281.396 3.038 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](n3cccn3)C2)cc1 ZINC000365847667 520895491 /nfs/dbraw/zinc/89/54/91/520895491.db2.gz OJYVKJQJOBXZEK-SFHVURJKSA-N 1 0 298.434 3.176 20 10 CGCDRO CCC[C@H]([NH2+]Cc1ccccc1O)[C@@H](O)c1ccccc1 ZINC000279712704 521163826 /nfs/dbraw/zinc/16/38/26/521163826.db2.gz SUBVGQDDPNUIBE-WMZOPIPTSA-N 1 0 285.387 3.384 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)cc1F ZINC000292739809 522184052 /nfs/dbraw/zinc/18/40/52/522184052.db2.gz HGUAKTTUQJRVTJ-LSDHHAIUSA-N 1 0 298.352 3.369 20 10 CGCDRO CC[C@H]([NH2+]CCCn1cccn1)c1ccc(N(C)C)cc1 ZINC000127062044 522591777 /nfs/dbraw/zinc/59/17/77/522591777.db2.gz FCOXTEDOSOIQAD-KRWDZBQOSA-N 1 0 286.423 3.080 20 10 CGCDRO CC[C@H]([NH2+]Cc1ncccc1N(C)C)c1ccc(C)cc1O ZINC000289975947 522669160 /nfs/dbraw/zinc/66/91/60/522669160.db2.gz XPXTWLJYQKHISV-HNNXBMFYSA-N 1 0 299.418 3.403 20 10 CGCDRO CC[C@H]([NH2+][C@H]1c2ccccc2C[C@@H]1O)c1ccc(C)cc1O ZINC000280245658 522762459 /nfs/dbraw/zinc/76/24/59/522762459.db2.gz WICZUIPVHRLKCL-WDSOQIARSA-N 1 0 297.398 3.400 20 10 CGCDRO COCC(C)(C)CCC[NH2+]Cc1ccc(N(C)C)cc1 ZINC000290062043 522807303 /nfs/dbraw/zinc/80/73/03/522807303.db2.gz HJJIMNCYAQAUAR-UHFFFAOYSA-N 1 0 278.440 3.295 20 10 CGCDRO CC[C@@H]([NH2+]CC[C@H](C)OC)c1ccc(C)cc1O ZINC000280214655 522839896 /nfs/dbraw/zinc/83/98/96/522839896.db2.gz UJPOZYBFIXFFBT-GXTWGEPZSA-N 1 0 251.370 3.166 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H]1CCSC1)c1ccc(C)cc1O ZINC000280007139 522857153 /nfs/dbraw/zinc/85/71/53/522857153.db2.gz GJMMXEWWUXGKHG-GXTWGEPZSA-N 1 0 265.422 3.494 20 10 CGCDRO COCC1(C[NH2+]Cc2cccc(OC)c2O)CCCCC1 ZINC000289505974 522901072 /nfs/dbraw/zinc/90/10/72/522901072.db2.gz HPPVDUUAYCYROM-UHFFFAOYSA-N 1 0 293.407 3.087 20 10 CGCDRO CC[C@@H]([NH2+][C@H](C)c1cnn(C)c1)c1ccc(C)cc1O ZINC000279935374 522940750 /nfs/dbraw/zinc/94/07/50/522940750.db2.gz AXZAYOXFPWZAKY-IUODEOHRSA-N 1 0 273.380 3.236 20 10 CGCDRO CC[C@@H]1CC[N@@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000292744211 523338554 /nfs/dbraw/zinc/33/85/54/523338554.db2.gz HWARMSFVCLTAED-LLVKDONJSA-N 1 0 255.745 3.039 20 10 CGCDRO CCc1ccc([C@H](O)C[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC000276412744 524052170 /nfs/dbraw/zinc/05/21/70/524052170.db2.gz MQDRJVXEMCBIKP-SCLBCKFNSA-N 1 0 285.387 3.339 20 10 CGCDRO COc1ccc(C[NH2+][C@H](C)c2cccnc2)cc1C ZINC000035052698 524090356 /nfs/dbraw/zinc/09/03/56/524090356.db2.gz MXSONOOMRUDKMP-CYBMUJFWSA-N 1 0 256.349 3.249 20 10 CGCDRO COc1cccc2c1CC[C@H]([NH2+]Cc1ccccc1O)C2 ZINC000277238272 524222166 /nfs/dbraw/zinc/22/21/66/524222166.db2.gz OBKQKWCMHMBPKU-HNNXBMFYSA-N 1 0 283.371 3.048 20 10 CGCDRO C[C@@H](CO)[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000127583677 524806999 /nfs/dbraw/zinc/80/69/99/524806999.db2.gz PQPTZJPMFAVENR-GJZGRUSLSA-N 1 0 276.424 3.098 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)ccc2O)C[C@H]1CO ZINC000276867056 524979572 /nfs/dbraw/zinc/97/95/72/524979572.db2.gz YBIUMDYLLPUFMB-KDOFPFPSSA-N 1 0 297.398 3.119 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)[C@H](O)c1ccccc1 ZINC000290238606 525614316 /nfs/dbraw/zinc/61/43/16/525614316.db2.gz JAARDHQLKCVLIB-AHIWAGSCSA-N 1 0 271.360 3.165 20 10 CGCDRO CSC[C@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000292874052 525706728 /nfs/dbraw/zinc/70/67/28/525706728.db2.gz WSISLEUCMNANCT-NSHDSACASA-N 1 0 269.385 3.106 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H](CO)Cc2ccccc2)c(O)c1C ZINC000275716265 525750529 /nfs/dbraw/zinc/75/05/29/525750529.db2.gz MXNNJVHRXIWOMO-WBVHZDCISA-N 1 0 299.414 3.263 20 10 CGCDRO Cc1ncc(C[NH2+][C@H](C)c2cc(C)ccc2O)s1 ZINC000040997623 527276873 /nfs/dbraw/zinc/27/68/73/527276873.db2.gz IUGMUTYHJPOUGW-SNVBAGLBSA-N 1 0 262.378 3.316 20 10 CGCDRO COC1CCC(C[NH2+]Cc2cc(Cl)ccc2O)CC1 ZINC000749923685 573059459 /nfs/dbraw/zinc/05/94/59/573059459.db2.gz XVIDVFXXKYVBAV-UHFFFAOYSA-N 1 0 283.799 3.340 20 10 CGCDRO COCC[N@H+](C)Cc1cc2oc3ccccc3c2cc1O ZINC000726962233 571688625 /nfs/dbraw/zinc/68/86/25/571688625.db2.gz SVHRFECBMFNVTL-UHFFFAOYSA-N 1 0 285.343 3.370 20 10 CGCDRO CC[C@@H](C)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000727642568 571759496 /nfs/dbraw/zinc/75/94/96/571759496.db2.gz RQRJSZNWOCVISS-CYBMUJFWSA-N 1 0 291.395 3.473 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](n3ccnc3)C2)cc1C ZINC000738150661 572365241 /nfs/dbraw/zinc/36/52/41/572365241.db2.gz XHQSCXSIQSKPGI-INIZCTEOSA-N 1 0 285.391 3.043 20 10 CGCDRO C[C@@H]1C[NH+](Cc2cc3c(cc2O)CCC3)C[C@@H](C)S1 ZINC000743373890 572396371 /nfs/dbraw/zinc/39/63/71/572396371.db2.gz ACKQZVCPZAWVCK-VXGBXAGGSA-N 1 0 277.433 3.207 20 10 CGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@H](C)C3)c2c1 ZINC000725778687 572400037 /nfs/dbraw/zinc/40/00/37/572400037.db2.gz NUKQEJHTVCDNCP-LBPRGKRZSA-N 1 0 271.360 3.396 20 10 CGCDRO Oc1ccccc1C[NH2+]Cc1nccc2ccccc21 ZINC000725848838 572440836 /nfs/dbraw/zinc/44/08/36/572440836.db2.gz LBRJZHOHHQKGCV-UHFFFAOYSA-N 1 0 264.328 3.230 20 10 CGCDRO COc1c(C)cnc(C[NH2+]Cc2cc(C)ccc2O)c1C ZINC000733327895 572556529 /nfs/dbraw/zinc/55/65/29/572556529.db2.gz ZQXSUGXTSGSURW-UHFFFAOYSA-N 1 0 286.375 3.011 20 10 CGCDRO COc1cccc(O)c1C[NH2+][C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000742378398 572571398 /nfs/dbraw/zinc/57/13/98/572571398.db2.gz HJIPKYKLMYZDPC-MELADBBJSA-N 1 0 275.392 3.459 20 10 CGCDRO COc1ccc2c(c1)CCCN2CCCCCCCO ZINC000744384142 572747530 /nfs/dbraw/zinc/74/75/30/572747530.db2.gz FTBLRRCHQJVTND-UHFFFAOYSA-N 1 0 277.408 3.391 20 10 CGCDRO CCC(CC)[C@@H](CC[NH2+]Cc1ccccc1O)OC ZINC000746761503 572895062 /nfs/dbraw/zinc/89/50/62/572895062.db2.gz ORYXQZSSPNLINI-MRXNPFEDSA-N 1 0 265.397 3.323 20 10 CGCDRO COc1ccc(C[NH2+]Cc2ccnc3ccccc23)c(O)c1 ZINC000749110499 572989196 /nfs/dbraw/zinc/98/91/96/572989196.db2.gz JLGKPNJCXCRRQD-UHFFFAOYSA-N 1 0 294.354 3.239 20 10 CGCDRO COC1CCC(C[NH2+]Cc2ccc(N(C)C)cc2)CC1 ZINC000749922300 573058870 /nfs/dbraw/zinc/05/88/70/573058870.db2.gz DPNDSDWJPWFSQA-UHFFFAOYSA-N 1 0 276.424 3.047 20 10 CGCDRO Cc1cc(Br)cc(C[NH2+]CCCCF)c1O ZINC000309926944 619036818 /nfs/dbraw/zinc/03/68/18/619036818.db2.gz VUQSNNVIPAGLFQ-UHFFFAOYSA-N 1 0 290.176 3.302 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2C[C@H](C)CCC[C@H]2C)cc1OC ZINC000160289174 617874462 /nfs/dbraw/zinc/87/44/62/617874462.db2.gz YVIYBUDPGRLAPW-CHWSQXEVSA-N 1 0 293.407 3.420 20 10 CGCDRO CCC[C@H](CC)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000050401169 618099441 /nfs/dbraw/zinc/09/94/41/618099441.db2.gz PDIGMSOSNODOSE-INIZCTEOSA-N 1 0 276.424 3.192 20 10 CGCDRO Cc1cc(C[N@H+](C)C[C@@H]2CCOC2)c(O)c(C(C)(C)C)c1 ZINC000176088404 618329231 /nfs/dbraw/zinc/32/92/31/618329231.db2.gz MTALIVNQPFGAFV-AWEZNQCLSA-N 1 0 291.435 3.466 20 10 CGCDRO CC[C@H]([NH2+]CCCCn1ccnc1)c1ccccc1O ZINC000045094511 618619161 /nfs/dbraw/zinc/61/91/61/618619161.db2.gz PITDOZQMSYJKNB-HNNXBMFYSA-N 1 0 273.380 3.110 20 10 CGCDRO CCOc1cccc(C[NH2+]Cc2ccc(F)cc2F)c1O ZINC000051016613 618711676 /nfs/dbraw/zinc/71/16/76/618711676.db2.gz QJCFZEPYMZJCLJ-UHFFFAOYSA-N 1 0 293.313 3.359 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](OC)C2)cc1 ZINC000091772855 618725073 /nfs/dbraw/zinc/72/50/73/618725073.db2.gz ITBCTGCOBLPYGC-KRWDZBQOSA-N 1 0 276.424 3.144 20 10 CGCDRO C[C@@H]1C[C@H](C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)[C@@H](C)O1 ZINC000840871096 618732331 /nfs/dbraw/zinc/73/23/31/618732331.db2.gz BLVFLKCZXGMCRA-WRYZSIRCSA-N 1 0 293.382 3.483 20 10 CGCDRO C[C@@H]([NH2+]CCCOCC(F)(F)F)c1cc(F)ccc1O ZINC000184993166 625288817 /nfs/dbraw/zinc/28/88/17/625288817.db2.gz PADVXCZHUDSUOG-SECBINFHSA-N 1 0 295.276 3.151 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCCOCC(F)(F)F)c(O)c1 ZINC000184992987 625289255 /nfs/dbraw/zinc/28/92/55/625289255.db2.gz AWEXFVMREZJPFJ-LLVKDONJSA-N 1 0 291.313 3.320 20 10 CGCDRO COc1ccc(C[NH2+][C@H](C)c2ccccc2)c(O)c1OC ZINC000892434055 618778264 /nfs/dbraw/zinc/77/82/64/618778264.db2.gz WYBGCNCZDPYPQE-GFCCVEGCSA-N 1 0 287.359 3.260 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCS[C@@H]2C)c1 ZINC000310223627 618782755 /nfs/dbraw/zinc/78/27/55/618782755.db2.gz FTTZLEGWQASBMW-LOWVWBTDSA-N 1 0 251.395 3.245 20 10 CGCDRO C[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccccc1O ZINC000179579814 618795883 /nfs/dbraw/zinc/79/58/83/618795883.db2.gz NZHNJMDYJJMNOM-CYBMUJFWSA-N 1 0 253.345 3.339 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cn2c(n1)CCCC2 ZINC000924574429 618856549 /nfs/dbraw/zinc/85/65/49/618856549.db2.gz NPUPYALPBQQDQE-AWEZNQCLSA-N 1 0 298.434 3.136 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc(OC)cn2)cc1 ZINC000892614355 618874635 /nfs/dbraw/zinc/87/46/35/618874635.db2.gz HDEQMULIROLWCT-UHFFFAOYSA-N 1 0 299.418 3.226 20 10 CGCDRO CC1(C)CC[C@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000309454590 618897928 /nfs/dbraw/zinc/89/79/28/618897928.db2.gz RXZABBKQJSIZGF-GFCCVEGCSA-N 1 0 284.197 3.433 20 10 CGCDRO COc1cccc(C[NH2+][C@H]2CCCCC2(C)C)c1O ZINC000094323709 618899049 /nfs/dbraw/zinc/89/90/49/618899049.db2.gz JAXJILIXDCSZKT-AWEZNQCLSA-N 1 0 263.381 3.459 20 10 CGCDRO CCC(CC)(C[NH2+]Cc1ccc(N(C)C)cc1)OC ZINC000311467344 618909850 /nfs/dbraw/zinc/90/98/50/618909850.db2.gz NNPVFOMXHPTSTI-UHFFFAOYSA-N 1 0 264.413 3.047 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@H](C)c1ncc[nH]1 ZINC000840894410 618946524 /nfs/dbraw/zinc/94/65/24/618946524.db2.gz RCWRTUJNQGJMPU-ZIAGYGMSSA-N 1 0 286.423 3.066 20 10 CGCDRO Oc1ccccc1C[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000053155475 618988851 /nfs/dbraw/zinc/98/88/51/618988851.db2.gz FQNDEEKQENOIIP-UHFFFAOYSA-N 1 0 265.715 3.475 20 10 CGCDRO CCC(O)(CC)C[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000185231427 619059011 /nfs/dbraw/zinc/05/90/11/619059011.db2.gz FOGKIVBWSBJNOD-CYBMUJFWSA-N 1 0 291.435 3.473 20 10 CGCDRO Oc1ccc(Br)cc1C[NH2+][C@H]1[C@@H]2CCC[C@@H]21 ZINC000310019656 619071361 /nfs/dbraw/zinc/07/13/61/619071361.db2.gz MOLAVSGPVHEFKI-PJXYFTJBSA-N 1 0 282.181 3.043 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C2C[C@H](C)O[C@@H](C)C2)c(Cl)c1 ZINC000840907446 619113494 /nfs/dbraw/zinc/11/34/94/619113494.db2.gz FAPSZDVTYCNQSY-QWRGUYRKSA-N 1 0 283.799 3.400 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000840910749 619120041 /nfs/dbraw/zinc/12/00/41/619120041.db2.gz RDICPVXCENXGQX-HNNXBMFYSA-N 1 0 288.435 3.062 20 10 CGCDRO CC[C@@H]([NH2+]CCc1ccc2c(c1)OCO2)c1ccccc1O ZINC000185206485 625321079 /nfs/dbraw/zinc/32/10/79/625321079.db2.gz NTULOAUTKCRRGB-OAHLLOKOSA-N 1 0 299.370 3.404 20 10 CGCDRO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000093383627 619191343 /nfs/dbraw/zinc/19/13/43/619191343.db2.gz BFOZMZKCTXYFQC-DYEKYZERSA-N 1 0 289.375 3.274 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCN(C)Cc2ccccc2)c(O)c1 ZINC000185111492 619222038 /nfs/dbraw/zinc/22/20/38/619222038.db2.gz FRXVMUUPFSFPKQ-MRXNPFEDSA-N 1 0 298.430 3.483 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2COc3ccccc3O2)c1 ZINC000314461334 619229680 /nfs/dbraw/zinc/22/96/80/619229680.db2.gz LAEBMLPMXYWJHF-ZIAGYGMSSA-N 1 0 299.370 3.191 20 10 CGCDRO COCCC1(C)C[NH+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000840952540 619255743 /nfs/dbraw/zinc/25/57/43/619255743.db2.gz DPUZUJMRBBMXRP-UHFFFAOYSA-N 1 0 283.799 3.212 20 10 CGCDRO COCC[C@@H](C)C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000840955643 619263433 /nfs/dbraw/zinc/26/34/33/619263433.db2.gz UDGQNPXGRBWVLF-MRXNPFEDSA-N 1 0 290.451 3.439 20 10 CGCDRO CO[C@@](C)([C@@H](C)[NH2+]Cc1ccc(N(C)C)c(F)c1)C1CC1 ZINC000840961275 619281010 /nfs/dbraw/zinc/28/10/10/619281010.db2.gz UEOWMRTXGVHKEB-PXAZEXFGSA-N 1 0 294.414 3.185 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1ccccc1O ZINC000840977958 619309540 /nfs/dbraw/zinc/30/95/40/619309540.db2.gz ZCFPNLPCVROTDT-OAHLLOKOSA-N 1 0 298.430 3.487 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)Cc2ocnc2C)cc1 ZINC000893911220 619331593 /nfs/dbraw/zinc/33/15/93/619331593.db2.gz SNTXQORGIATACJ-UHFFFAOYSA-N 1 0 287.407 3.461 20 10 CGCDRO COc1cc(C)cc(C[N@H+](C)Cc2ccccc2O)c1O ZINC000893962174 619337371 /nfs/dbraw/zinc/33/73/71/619337371.db2.gz LZGXBCNVGSXZCR-UHFFFAOYSA-N 1 0 287.359 3.047 20 10 CGCDRO CCC(C)(C)[N@H+](C)Cc1cc(C)cc(OC)c1O ZINC000894019434 619351202 /nfs/dbraw/zinc/35/12/02/619351202.db2.gz MTHGJNNCLOYGOS-UHFFFAOYSA-N 1 0 251.370 3.330 20 10 CGCDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccccc2O)C1(CC)CC ZINC000236976729 619381530 /nfs/dbraw/zinc/38/15/30/619381530.db2.gz OZRSISPLXNPXOQ-CVEARBPZSA-N 1 0 277.408 3.466 20 10 CGCDRO C[C@H]([NH2+]CCc1ccn(C)n1)c1ccc2ccccc2c1O ZINC000319760108 619465708 /nfs/dbraw/zinc/46/57/08/619465708.db2.gz QBBGRBAZWHLDOM-ZDUSSCGKSA-N 1 0 295.386 3.172 20 10 CGCDRO COCC[N@H+](Cc1ccccc1O)[C@@H]1CC[C@@H](C)C1 ZINC000792192483 619608388 /nfs/dbraw/zinc/60/83/88/619608388.db2.gz KZJGFQWIOWRBLE-UKRRQHHQSA-N 1 0 263.381 3.029 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(OC)c(OC)c1O)C1CCCC1 ZINC000894759992 619622030 /nfs/dbraw/zinc/62/20/30/619622030.db2.gz DWNSXVNBDJOFRD-AWEZNQCLSA-N 1 0 293.407 3.468 20 10 CGCDRO COc1ccc(C[NH+]2CC(C3CCCC3)C2)c(O)c1OC ZINC000894837029 619648243 /nfs/dbraw/zinc/64/82/43/619648243.db2.gz SLGFKWJNPSKYMZ-UHFFFAOYSA-N 1 0 291.391 3.031 20 10 CGCDRO C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)c1cc(Cl)ccc1O ZINC000185460020 625361771 /nfs/dbraw/zinc/36/17/71/625361771.db2.gz USEFJRMALNBPFT-PFEFGLNJSA-N 1 0 267.756 3.016 20 10 CGCDRO Cc1cccc(C[N@@H+]2CC[C@H](c3nccs3)C2)c1O ZINC000895580642 619855934 /nfs/dbraw/zinc/85/59/34/619855934.db2.gz IFEWHSOXKFSJIX-ZDUSSCGKSA-N 1 0 274.389 3.147 20 10 CGCDRO CCC[N@H+](CC)Cc1cc(Br)ccc1O ZINC000097989736 619999486 /nfs/dbraw/zinc/99/94/86/619999486.db2.gz PCGZYPYJGSXMFW-UHFFFAOYSA-N 1 0 272.186 3.387 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+][C@H](c1ccccn1)C1CC1 ZINC000896613923 620035898 /nfs/dbraw/zinc/03/58/98/620035898.db2.gz ZVOXTPLWAVSUSI-INIZCTEOSA-N 1 0 272.323 3.167 20 10 CGCDRO COc1cc(C)cc(C[NH2+]CCC2CC=CC2)c1O ZINC000896864077 620078962 /nfs/dbraw/zinc/07/89/62/620078962.db2.gz BSGUWUKUQNXVBT-UHFFFAOYSA-N 1 0 261.365 3.155 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]C[C@H]1CC(C)(C)OC1(C)C ZINC000897225194 620164585 /nfs/dbraw/zinc/16/45/85/620164585.db2.gz JEOFCWJHYYHTHB-CYBMUJFWSA-N 1 0 277.408 3.384 20 10 CGCDRO CC[N@H+](Cc1ccccn1)Cc1cc(OC)c(C)cc1O ZINC000160380696 620197555 /nfs/dbraw/zinc/19/75/55/620197555.db2.gz WWEBYTLQHPRDDT-UHFFFAOYSA-N 1 0 286.375 3.126 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](C)c2c(C)noc2C)cc1C ZINC000073007529 625407072 /nfs/dbraw/zinc/40/70/72/625407072.db2.gz XCROHWFFRDHTJP-NSHDSACASA-N 1 0 274.364 3.459 20 10 CGCDRO C[C@@H](C[NH2+]Cc1ccccc1O)c1ccccc1[N+](=O)[O-] ZINC000897469353 620341796 /nfs/dbraw/zinc/34/17/96/620341796.db2.gz ITDLLLHQUMCQMC-LBPRGKRZSA-N 1 0 286.331 3.194 20 10 CGCDRO c1csc(SCCC[NH2+][C@H]2CCC[C@H]3C[C@H]32)n1 ZINC000800971246 620361978 /nfs/dbraw/zinc/36/19/78/620361978.db2.gz HVWKVXULOLMUJI-TUAOUCFPSA-N 1 0 268.451 3.404 20 10 CGCDRO CC1(C)C[C@H]([NH2+]Cc2cc(F)ccc2O)CCS1 ZINC000897796976 620433391 /nfs/dbraw/zinc/43/33/91/620433391.db2.gz BIQYMUBNEHGRST-GFCCVEGCSA-N 1 0 269.385 3.295 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+][C@H](C)c2cncs2)c1O ZINC000897932008 620448072 /nfs/dbraw/zinc/44/80/72/620448072.db2.gz HPTBTFCGIYSUBU-MRVPVSSYSA-N 1 0 298.795 3.362 20 10 CGCDRO [O-]c1c(Cl)cccc1C[NH2+][C@@H]1C[C@@H]2CCC[C@H]12 ZINC000897954427 620454997 /nfs/dbraw/zinc/45/49/97/620454997.db2.gz DUEQGIWLDDXPRA-XHVZSJERSA-N 1 0 251.757 3.324 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+][C@H]1CCOC12CCCC2 ZINC000898111696 620479356 /nfs/dbraw/zinc/47/93/56/620479356.db2.gz FWCZHSGRZITQCT-AWEZNQCLSA-N 1 0 281.783 3.237 20 10 CGCDRO CCc1cccc(C[NH2+]C(C)(C)CSC)c1O ZINC000898304730 620508469 /nfs/dbraw/zinc/50/84/69/620508469.db2.gz JOKPMDDISZCVHR-UHFFFAOYSA-N 1 0 253.411 3.186 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCN2CCC(C)CC2)c1 ZINC000040771859 620545214 /nfs/dbraw/zinc/54/52/14/620545214.db2.gz NUUWFWLOKOBGQO-HNNXBMFYSA-N 1 0 276.424 3.083 20 10 CGCDRO CC(C)[C@@H]([NH2+][C@H]1CCc2cccc(O)c21)c1cnn(C)c1 ZINC000927066745 620570024 /nfs/dbraw/zinc/57/00/24/620570024.db2.gz DEPOHTNZVFCREH-WMLDXEAASA-N 1 0 285.391 3.100 20 10 CGCDRO C[C@]12CSC[C@H]1C[N@H+](Cc1cc(Cl)ccc1O)C2 ZINC000898421398 620586154 /nfs/dbraw/zinc/58/61/54/620586154.db2.gz BGFDEMIMVGXHOS-RISCZKNCSA-N 1 0 283.824 3.231 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C2([C@H]3CCCCO3)CC2)c1 ZINC000927160706 620613272 /nfs/dbraw/zinc/61/32/72/620613272.db2.gz MRIPOEODFAGXAZ-CZUORRHYSA-N 1 0 275.392 3.453 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]CC[C@@H]2C[C@H]2C2CC2)c1O ZINC000903162151 621607860 /nfs/dbraw/zinc/60/78/60/621607860.db2.gz YZDGEOBWDYYQSI-KYOSRNDESA-N 1 0 275.392 3.488 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CC(C)(C)C[C@@H](C)O)c1 ZINC000186075062 625512081 /nfs/dbraw/zinc/51/20/81/625512081.db2.gz KBRQMUNZUJVGCG-OLZOCXBDSA-N 1 0 265.397 3.148 20 10 CGCDRO CC[C@@H]([NH2+]C[C@]1(OC(C)C)CCOC1)c1ccccc1O ZINC000903356784 621714114 /nfs/dbraw/zinc/71/41/14/621714114.db2.gz HETALYCSVYDJNX-NVXWUHKLSA-N 1 0 293.407 3.017 20 10 CGCDRO CC(C)CCC[C@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000042879494 621888493 /nfs/dbraw/zinc/88/84/93/621888493.db2.gz FEFPZIXONURBBA-LBPRGKRZSA-N 1 0 279.380 3.425 20 10 CGCDRO CC[C@H]1C[N@H+](Cc2cc(C)cc(OC)c2O)CCS1 ZINC000164429049 622834864 /nfs/dbraw/zinc/83/48/64/622834864.db2.gz GQNWSPYBSYVEHC-ZDUSSCGKSA-N 1 0 281.421 3.037 20 10 CGCDRO CSC[C@@H]1CCC[N@@H+]1Cc1cc(C)cc(C)c1O ZINC000164526099 622836750 /nfs/dbraw/zinc/83/67/50/622836750.db2.gz LGYKUXFHEIXTQH-AWEZNQCLSA-N 1 0 265.422 3.336 20 10 CGCDRO Cc1cccc(C[NH2+]CC2(O)CCC(C)(C)CC2)c1O ZINC000165043593 622855112 /nfs/dbraw/zinc/85/51/12/622855112.db2.gz SFFZMCBVSPMOPL-UHFFFAOYSA-N 1 0 277.408 3.122 20 10 CGCDRO C[C@@H]1CCC[C@@](C[NH2+]Cc2cc(F)ccc2O)(N(C)C)C1 ZINC000226585981 622986964 /nfs/dbraw/zinc/98/69/64/622986964.db2.gz HDXUCGZDJZCTBM-CXAGYDPISA-N 1 0 294.414 3.131 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]Cc2ccc(C)o2)c1O ZINC000229051692 623095666 /nfs/dbraw/zinc/09/56/66/623095666.db2.gz IPPCYEYIEBOWDZ-UHFFFAOYSA-N 1 0 281.739 3.245 20 10 CGCDRO CC[C@H]([NH2+]CC(C)(C)CCCO)c1ccccc1O ZINC000229560303 623142935 /nfs/dbraw/zinc/14/29/35/623142935.db2.gz MHTARTGPONGYAL-AWEZNQCLSA-N 1 0 265.397 3.232 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CC[C@@H]2CCOC2)cc1 ZINC000230166073 623214114 /nfs/dbraw/zinc/21/41/14/623214114.db2.gz NYCFDRFKNXRDCN-MRXNPFEDSA-N 1 0 276.424 3.049 20 10 CGCDRO CS[C@H]1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000230698603 623263837 /nfs/dbraw/zinc/26/38/37/623263837.db2.gz FFLGAYRLQSBMQM-NEPJUHHUSA-N 1 0 271.813 3.419 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000231883491 623347271 /nfs/dbraw/zinc/34/72/71/623347271.db2.gz SAPGYDORDGUPHT-UHFFFAOYSA-N 1 0 286.331 3.207 20 10 CGCDRO COc1ccc(O)c(C[N@H+](C)C[C@H]2CC=CCC2)c1 ZINC000753574212 623417088 /nfs/dbraw/zinc/41/70/88/623417088.db2.gz APOKXDQNIUCCPT-ZDUSSCGKSA-N 1 0 261.365 3.189 20 10 CGCDRO CCCC1(C[NH2+]Cc2cccc(OCC)c2O)CC1 ZINC000151593397 623544459 /nfs/dbraw/zinc/54/44/59/623544459.db2.gz RMVVJAVQARZBRG-UHFFFAOYSA-N 1 0 263.381 3.461 20 10 CGCDRO COCC[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000152130743 623622471 /nfs/dbraw/zinc/62/24/71/623622471.db2.gz MOQDVCVOEQDNCB-OAHLLOKOSA-N 1 0 276.424 3.364 20 10 CGCDRO Cc1ccc(O)c(C[NH+]2CCN(Cc3ccccc3)CC2)c1 ZINC000154480102 624302438 /nfs/dbraw/zinc/30/24/38/624302438.db2.gz CUVIROXJECDBRZ-UHFFFAOYSA-N 1 0 296.414 3.018 20 10 CGCDRO CN(C)c1ccc(C[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC000921496629 624626143 /nfs/dbraw/zinc/62/61/43/624626143.db2.gz XRMFGJFTXJAMJH-UHFFFAOYSA-N 1 0 296.414 3.367 20 10 CGCDRO CC[N@@H+](Cc1ccccc1O)C[C@@H]1COc2ccccc2O1 ZINC000179558016 624666591 /nfs/dbraw/zinc/66/65/91/624666591.db2.gz WGIRYJXNIRONNU-OAHLLOKOSA-N 1 0 299.370 3.054 20 10 CGCDRO CCC(CC)[N@H+](CCOC)Cc1cc(F)ccc1O ZINC000179939324 624697900 /nfs/dbraw/zinc/69/79/00/624697900.db2.gz HXDWDLVVYPHJCF-UHFFFAOYSA-N 1 0 269.360 3.168 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H]2CCCC[C@@H]2C)c1O ZINC000019945345 634403220 /nfs/dbraw/zinc/40/32/20/634403220.db2.gz DWUCGZQRGNIRJZ-GXTWGEPZSA-N 1 0 263.381 3.459 20 10 CGCDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2cc(OC)ccc2O)C1(C)C ZINC000180395411 624745120 /nfs/dbraw/zinc/74/51/20/624745120.db2.gz WQXOXXITFLXUHW-CVEARBPZSA-N 1 0 293.407 3.036 20 10 CGCDRO COc1cccc2c1CC[N@H+](Cc1cccc(C)c1O)C2 ZINC000180783134 624772557 /nfs/dbraw/zinc/77/25/57/624772557.db2.gz XXWQZWYEMKRUFM-UHFFFAOYSA-N 1 0 283.371 3.268 20 10 CGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@H]1CCC[C@H](OC)C1 ZINC000070325094 624996134 /nfs/dbraw/zinc/99/61/34/624996134.db2.gz WZKUFOPHZOJEJZ-IRXDYDNUSA-N 1 0 276.424 3.319 20 10 CGCDRO Cc1cccc(C[NH2+]C2(C)Cc3ccccc3C2)c1O ZINC000182663212 625023984 /nfs/dbraw/zinc/02/39/84/625023984.db2.gz UVEJXHJESSCXPG-UHFFFAOYSA-N 1 0 267.372 3.348 20 10 CGCDRO COc1ccc(O)c(C[N@H+]([C@@H](C)C(C)C)C2CC2)c1 ZINC000183446543 625075437 /nfs/dbraw/zinc/07/54/37/625075437.db2.gz PCXNCLWJOSETOT-LBPRGKRZSA-N 1 0 263.381 3.410 20 10 CGCDRO C[C@@H]([NH2+]CCOc1ccc(F)cc1F)c1ccccc1O ZINC000183544252 625093093 /nfs/dbraw/zinc/09/30/93/625093093.db2.gz OYRWLFRLWGBOMY-LLVKDONJSA-N 1 0 293.313 3.400 20 10 CGCDRO CCCC[N@H+](C)Cc1cc(Cl)cc(OC)c1O ZINC000184672129 625261782 /nfs/dbraw/zinc/26/17/82/625261782.db2.gz FPIOIPOMQBBDHL-UHFFFAOYSA-N 1 0 257.761 3.286 20 10 CGCDRO COC[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1ccccc1 ZINC000921741349 625859636 /nfs/dbraw/zinc/85/96/36/625859636.db2.gz SDMCKHJLSJCRFY-SFHVURJKSA-N 1 0 297.398 3.489 20 10 CGCDRO CS[C@H]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000921792663 625877013 /nfs/dbraw/zinc/87/70/13/625877013.db2.gz PGIWWENOQPPKNX-GJZGRUSLSA-N 1 0 277.433 3.385 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1ccc[nH]1 ZINC000921938019 625936621 /nfs/dbraw/zinc/93/66/21/625936621.db2.gz COCKCUMBQNDABX-LBPRGKRZSA-N 1 0 256.349 3.191 20 10 CGCDRO c1cc2c(cc1C[NH2+]CCC[C@@H]1CCCCO1)CCCO2 ZINC000922000433 625956867 /nfs/dbraw/zinc/95/68/67/625956867.db2.gz PNUKSAGCGPJPER-KRWDZBQOSA-N 1 0 289.419 3.451 20 10 CGCDRO FC(F)(F)C1(C[NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000922122294 625970942 /nfs/dbraw/zinc/97/09/42/625970942.db2.gz FBXOPKHAGCCOGG-UHFFFAOYSA-N 1 0 285.309 3.444 20 10 CGCDRO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922165689 625977828 /nfs/dbraw/zinc/97/78/28/625977828.db2.gz KEVSNHATCBRXPM-NVXWUHKLSA-N 1 0 275.392 3.059 20 10 CGCDRO c1cc2c(cc1C[NH2+][C@@H]1CCC[C@@]13CCCO3)CCCO2 ZINC000922338527 626000514 /nfs/dbraw/zinc/00/05/14/626000514.db2.gz STRKUSQEHCHAKZ-QZTJIDSGSA-N 1 0 287.403 3.203 20 10 CGCDRO Cc1cc(CO)cc(C)c1C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000922560430 626012294 /nfs/dbraw/zinc/01/22/94/626012294.db2.gz NDUGCKXWCDNFHJ-UHFFFAOYSA-N 1 0 298.430 3.152 20 10 CGCDRO C[C@H]1[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)CCN1C ZINC000922557446 626013133 /nfs/dbraw/zinc/01/31/33/626013133.db2.gz OHSYWVWCDLMTOP-KBXCAEBGSA-N 1 0 296.414 3.241 20 10 CGCDRO CCOCc1cc(C[NH2+][C@H](C)C(C)(C)OC)ccc1OC ZINC000922582226 626015882 /nfs/dbraw/zinc/01/58/82/626015882.db2.gz NTORGTHSFHXJJS-CYBMUJFWSA-N 1 0 295.423 3.135 20 10 CGCDRO C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2O)CCS1 ZINC000922843336 626056108 /nfs/dbraw/zinc/05/61/08/626056108.db2.gz QASBUCHZGWTIBR-CABZTGNLSA-N 1 0 271.813 3.419 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2CCS[C@@H](C)C2)cc1C ZINC000922844774 626058358 /nfs/dbraw/zinc/05/83/58/626058358.db2.gz ZGRSWHVQHHFYMF-JSGCOSHPSA-N 1 0 265.422 3.377 20 10 CGCDRO CCOc1cccc(C[NH2+][C@H]2CCCc3cccnc32)c1O ZINC000922880126 626062035 /nfs/dbraw/zinc/06/20/35/626062035.db2.gz FZDBEPMGRGYUOB-HNNXBMFYSA-N 1 0 298.386 3.353 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]CC[C@H]2OCCc3ccccc32)c1 ZINC000922965439 626108539 /nfs/dbraw/zinc/10/85/39/626108539.db2.gz XLKYZKSJUBQXKD-LJQANCHMSA-N 1 0 297.398 3.494 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@]23C[C@H]2COC32CCC2)cc1 ZINC000923032397 626123071 /nfs/dbraw/zinc/12/30/71/626123071.db2.gz YUUOWUGREIRQGH-ISRNJUKQSA-N 1 0 298.430 3.067 20 10 CGCDRO CN(C)c1ccc(C[NH+]2CC3(C2)CCCC3)cc1F ZINC000839105948 626315133 /nfs/dbraw/zinc/31/51/33/626315133.db2.gz XHXPDOBFMPJKLM-UHFFFAOYSA-N 1 0 262.372 3.268 20 10 CGCDRO CCC[C@H]([NH2+]Cc1cc(OC)c(OC)cc1O)C1CCC1 ZINC000839192645 626329081 /nfs/dbraw/zinc/32/90/81/626329081.db2.gz SMGRMPXMEXJHGW-AWEZNQCLSA-N 1 0 293.407 3.468 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C2(CCO)CCCCC2)cc1F ZINC000751150990 626377432 /nfs/dbraw/zinc/37/74/32/626377432.db2.gz DQNYQROBEVAWCG-UHFFFAOYSA-N 1 0 294.414 3.067 20 10 CGCDRO COC[C@@H]1CCC[N@@H+]1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000751948688 626412769 /nfs/dbraw/zinc/41/27/69/626412769.db2.gz DMGGJOIVHQPBLH-AWEZNQCLSA-N 1 0 293.407 3.006 20 10 CGCDRO C[C@@](CO)([NH2+]Cc1cc(-c2ccccc2)ccc1O)C1CC1 ZINC000754048595 626473204 /nfs/dbraw/zinc/47/32/04/626473204.db2.gz SDVVRTYKHHXNDK-IBGZPJMESA-N 1 0 297.398 3.310 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCCOC(C)(C)C2)c1 ZINC000754726408 626584971 /nfs/dbraw/zinc/58/49/71/626584971.db2.gz RTMMVTXBJISSIZ-UHFFFAOYSA-N 1 0 263.381 3.010 20 10 CGCDRO COc1cc(C)cc(C[NH+]2CCC(C(F)F)CC2)c1O ZINC000754740948 626585943 /nfs/dbraw/zinc/58/59/43/626585943.db2.gz NGCBFTJKIHLSOH-UHFFFAOYSA-N 1 0 285.334 3.186 20 10 CGCDRO CC(C)[C@@H]1CC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000755920465 626660518 /nfs/dbraw/zinc/66/05/18/626660518.db2.gz APBOQALTAUXBOR-OAHLLOKOSA-N 1 0 259.393 3.359 20 10 CGCDRO CCOCCC[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756342080 626693438 /nfs/dbraw/zinc/69/34/38/626693438.db2.gz MDXCOGNDRDTJNT-JQWIXIFHSA-N 1 0 267.344 3.096 20 10 CGCDRO CSCC[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756351856 626694940 /nfs/dbraw/zinc/69/49/40/626694940.db2.gz OYVNYBJABJQVPZ-PSASIEDQSA-N 1 0 255.358 3.032 20 10 CGCDRO CCN1CCC([NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)CC1 ZINC000756360062 626696163 /nfs/dbraw/zinc/69/61/63/626696163.db2.gz DDZOIXCWIZKQCM-BXUZGUMPSA-N 1 0 292.398 3.154 20 10 CGCDRO C[C@H]1C[C@H]([NH2+]CCc2cccnc2)c2c1c(F)ccc2O ZINC000756397589 626701083 /nfs/dbraw/zinc/70/10/83/626701083.db2.gz VULMZWKKHOKQAM-FZMZJTMJSA-N 1 0 286.350 3.307 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CC[C@H]2CCCO2)c(O)c1C ZINC000756398073 626701358 /nfs/dbraw/zinc/70/13/58/626701358.db2.gz BJFQNJFGGQUVCB-ZIAGYGMSSA-N 1 0 263.381 3.229 20 10 CGCDRO C[C@@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])C[NH+]1CCCC1 ZINC000756421881 626704344 /nfs/dbraw/zinc/70/43/44/626704344.db2.gz JCKFUFQTLAIYRG-RYUDHWBXSA-N 1 0 298.377 3.053 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]C[C@H](C2CC2)N(C)C)c2c1c(F)ccc2O ZINC000756434002 626705576 /nfs/dbraw/zinc/70/55/76/626705576.db2.gz SUELLUFKUAJDBM-DDTOSNHZSA-N 1 0 292.398 3.009 20 10 CGCDRO C[C@H]1C[C@H]([NH2+]Cc2ccoc2)c2c1c(F)ccc2O ZINC000756445306 626706234 /nfs/dbraw/zinc/70/62/34/626706234.db2.gz MXHZGLYETMSWKE-CABZTGNLSA-N 1 0 261.296 3.462 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2CO)c(O)c1 ZINC000756461101 626707043 /nfs/dbraw/zinc/70/70/43/626707043.db2.gz VNFRBQCCHUACMK-CYBMUJFWSA-N 1 0 271.360 3.044 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](CO)Cc2ccccc2)c1 ZINC000756461186 626707461 /nfs/dbraw/zinc/70/74/61/626707461.db2.gz WLUCLZCNAWAIRE-NVXWUHKLSA-N 1 0 299.414 3.202 20 10 CGCDRO CO[C@H](C)CC[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756525560 626711816 /nfs/dbraw/zinc/71/18/16/626711816.db2.gz QJQBMGBBCNWMRF-UMNHJUIQSA-N 1 0 267.344 3.094 20 10 CGCDRO CC(C)N(C)CC[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756525519 626711845 /nfs/dbraw/zinc/71/18/45/626711845.db2.gz PSPTYSJOJRXXQZ-YPMHNXCESA-N 1 0 280.387 3.009 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]CCOCC2CC2)c2c1c(F)ccc2O ZINC000756556939 626714784 /nfs/dbraw/zinc/71/47/84/626714784.db2.gz YHVCSDGWMCLSQK-ZWNOBZJWSA-N 1 0 279.355 3.096 20 10 CGCDRO CCc1cc(C[NH2+][C@H](C)c2ccc(C)c(C)c2O)[nH]n1 ZINC000756571942 626716398 /nfs/dbraw/zinc/71/63/98/626716398.db2.gz HQTVSWZEMQIPFT-GFCCVEGCSA-N 1 0 273.380 3.145 20 10 CGCDRO CC[C@H](C)[C@](C)(O)C[NH2+][C@H](C)c1cc(C)ccc1O ZINC000756578601 626717518 /nfs/dbraw/zinc/71/75/18/626717518.db2.gz XBSPJAYOASIFFG-WOSRLPQWSA-N 1 0 265.397 3.148 20 10 CGCDRO CO[C@H](C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)C(C)C ZINC000756626389 626721374 /nfs/dbraw/zinc/72/13/74/626721374.db2.gz ORGZXQGYIFUVRN-SCDSUCTJSA-N 1 0 281.371 3.340 20 10 CGCDRO C[C@H]1C[C@@H]([NH2+]Cc2ccn(C)c2)c2c1c(F)ccc2O ZINC000756638937 626723409 /nfs/dbraw/zinc/72/34/09/626723409.db2.gz XHFYNUDFCUNZEJ-GXFFZTMASA-N 1 0 274.339 3.208 20 10 CGCDRO C[C@H](O)CC(C)(C)C[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756732570 626728409 /nfs/dbraw/zinc/72/84/09/626728409.db2.gz JEIUAVGPUUMJQU-NTZNESFSSA-N 1 0 295.398 3.466 20 10 CGCDRO CS[C@H](C)C[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756767352 626730229 /nfs/dbraw/zinc/73/02/29/626730229.db2.gz GLAXWNLBZMGMSV-FXPVBKGRSA-N 1 0 269.385 3.421 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ncccc2F)c1 ZINC000756770381 626730548 /nfs/dbraw/zinc/73/05/48/626730548.db2.gz UXBZDVNFTSCGIF-LLVKDONJSA-N 1 0 260.312 3.086 20 10 CGCDRO C[C@@H]([NH2+]Cc1ncccc1F)c1cc(Cl)ccc1O ZINC000756768801 626730787 /nfs/dbraw/zinc/73/07/87/626730787.db2.gz MRXNNUYXVFTISH-SECBINFHSA-N 1 0 280.730 3.431 20 10 CGCDRO CCOc1ccc(C[N@H+](C)[C@@H](C)c2ccncc2)c(O)c1 ZINC000757882390 626812451 /nfs/dbraw/zinc/81/24/51/626812451.db2.gz NXAIYLOURFJAHZ-ZDUSSCGKSA-N 1 0 286.375 3.379 20 10 CGCDRO COc1ccc(C[NH2+]Cc2c(O)cccc2Cl)c(F)c1 ZINC000758485750 626845919 /nfs/dbraw/zinc/84/59/19/626845919.db2.gz DDLRKYCITZTTRJ-UHFFFAOYSA-N 1 0 295.741 3.483 20 10 CGCDRO COc1cccc(O)c1C[NH2+]CC(C)(C)[C@H]1CCCCO1 ZINC000758498604 626846381 /nfs/dbraw/zinc/84/63/81/626846381.db2.gz KYKSBHQPLPVRPQ-MRXNPFEDSA-N 1 0 293.407 3.086 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CCC[C@H](C)CO)cc1F ZINC000758580717 626849955 /nfs/dbraw/zinc/84/99/55/626849955.db2.gz PTVAVJAHUMANPW-AWEZNQCLSA-N 1 0 296.430 3.170 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]C(C)(C)c2ccc(C)nc2)c1 ZINC000759186934 626879157 /nfs/dbraw/zinc/87/91/57/626879157.db2.gz WZWOFUPBDVQLGM-UHFFFAOYSA-N 1 0 270.376 3.429 20 10 CGCDRO C[C@H]1C[C@H]([NH2+]C2CC(F)(F)C2)c2c1c(F)ccc2O ZINC000760039997 626937305 /nfs/dbraw/zinc/93/73/05/626937305.db2.gz RMTHUTYHBHEBKT-XVKPBYJWSA-N 1 0 271.282 3.467 20 10 CGCDRO Cc1ccoc1CN(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000761221936 627026059 /nfs/dbraw/zinc/02/60/59/627026059.db2.gz GQNUSVULRFDCRY-UHFFFAOYSA-N 1 0 288.391 3.165 20 10 CGCDRO CC[C@@H](CC(F)(F)F)[NH2+]Cc1cc(OC)ccc1O ZINC000761227812 627026745 /nfs/dbraw/zinc/02/67/45/627026745.db2.gz BZFMPQYBGXYQTE-JTQLQIEISA-N 1 0 277.286 3.221 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+]2CCOCC3(CCC3)C2)c1O ZINC000761225489 627026891 /nfs/dbraw/zinc/02/68/91/627026891.db2.gz INTJKJKIUBMKFA-UHFFFAOYSA-N 1 0 295.810 3.357 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccc2c(c1)COC2 ZINC000763433297 627158229 /nfs/dbraw/zinc/15/82/29/627158229.db2.gz IUESIZNLPUOUFP-UHFFFAOYSA-N 1 0 296.414 3.381 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H]2CCCN2CC)cc1 ZINC000764593849 627213850 /nfs/dbraw/zinc/21/38/50/627213850.db2.gz HXDKKPFQMNUKHV-CRAIPNDOSA-N 1 0 289.467 3.278 20 10 CGCDRO CC[C@H]1CN(c2ccccc2)CC[N@@H+]1Cc1ccccc1O ZINC000764678945 627218274 /nfs/dbraw/zinc/21/82/74/627218274.db2.gz PEVCMUQFKHVVIG-KRWDZBQOSA-N 1 0 296.414 3.493 20 10 CGCDRO CC[C@H](C)[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000765126641 627241118 /nfs/dbraw/zinc/24/11/18/627241118.db2.gz LIESRXPGSOKTHB-MELADBBJSA-N 1 0 294.414 3.327 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cncc(F)c1 ZINC000765607359 627262355 /nfs/dbraw/zinc/26/23/55/627262355.db2.gz CAEHCYSRACOODV-NSHDSACASA-N 1 0 272.323 3.006 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000767927348 627443937 /nfs/dbraw/zinc/44/39/37/627443937.db2.gz KFMMRDDPDOREAK-CYBMUJFWSA-N 1 0 281.783 3.237 20 10 CGCDRO Cc1cncc([C@@H](C)[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000768221704 627468975 /nfs/dbraw/zinc/46/89/75/627468975.db2.gz SZWCDBDYGKVKIE-CYBMUJFWSA-N 1 0 268.360 3.176 20 10 CGCDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1O)CCCC2 ZINC000768463964 627481520 /nfs/dbraw/zinc/48/15/20/627481520.db2.gz YCVPNHKGBNLERK-GUYCJALGSA-N 1 0 289.419 3.006 20 10 CGCDRO CCOc1ccc(C[N@H+](CCOC)C2CCCC2)c(O)c1 ZINC000768579181 627487828 /nfs/dbraw/zinc/48/78/28/627487828.db2.gz QUQYDUAGLBXJSU-UHFFFAOYSA-N 1 0 293.407 3.182 20 10 CGCDRO CCOc1ccc(C[NH2+][C@@H]2CCC(C)(C)C2)c(O)c1 ZINC000768662260 627491407 /nfs/dbraw/zinc/49/14/07/627491407.db2.gz WEDHVTZFLHIQQY-CYBMUJFWSA-N 1 0 263.381 3.459 20 10 CGCDRO CCOc1ccc(C[NH+]2CCC(OC(C)C)CC2)c(O)c1 ZINC000768993388 627514500 /nfs/dbraw/zinc/51/45/00/627514500.db2.gz VZOYWYCIHNALKC-UHFFFAOYSA-N 1 0 293.407 3.180 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000769485676 627559365 /nfs/dbraw/zinc/55/93/65/627559365.db2.gz NNDNXRAEMNCQEU-MRXNPFEDSA-N 1 0 295.810 3.438 20 10 CGCDRO CO[C@@]1(C)C[C@@H]([N@H+](C)Cc2cc(C)ccc2O)C1(C)C ZINC000769549502 627564951 /nfs/dbraw/zinc/56/49/51/627564951.db2.gz SBCFEANIFRFHCB-WBVHZDCISA-N 1 0 277.408 3.336 20 10 CGCDRO CC(C)OC1CC([NH2+][C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000769996159 627596558 /nfs/dbraw/zinc/59/65/58/627596558.db2.gz RLPTYEUMKAGIBZ-KTAKPFMOSA-N 1 0 276.424 3.359 20 10 CGCDRO Cc1ccncc1[C@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000770749168 627642300 /nfs/dbraw/zinc/64/23/00/627642300.db2.gz ICKIIEZFGXYWFU-ZDUSSCGKSA-N 1 0 268.360 3.176 20 10 CGCDRO CCN(C)c1ccc(C[N@H+](C)C[C@H]2CCCOC2)cc1 ZINC000773758585 627912150 /nfs/dbraw/zinc/91/21/50/627912150.db2.gz WXLHFIDMZUFSQM-MRXNPFEDSA-N 1 0 276.424 3.001 20 10 CGCDRO CCN(C)c1ccc(C[NH2+][C@H](CO)c2ccsc2)cc1 ZINC000773862030 627921170 /nfs/dbraw/zinc/92/11/70/627921170.db2.gz YAJYIZSODWDZDW-MRXNPFEDSA-N 1 0 290.432 3.027 20 10 CGCDRO CCC[C@@]1(CO)CCC[N@@H+]1Cc1cc(C)c(C)cc1O ZINC000775175407 628068975 /nfs/dbraw/zinc/06/89/75/628068975.db2.gz IAHGUXKVOGKUMX-KRWDZBQOSA-N 1 0 277.408 3.136 20 10 CGCDRO COC1(C[NH2+]Cc2ccc(N(C)C)c(F)c2)CCCCC1 ZINC000775321695 628083097 /nfs/dbraw/zinc/08/30/97/628083097.db2.gz YGXPZEPWIDJYFV-UHFFFAOYSA-N 1 0 294.414 3.331 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](O)c1ccco1)c1cc(Cl)ccc1O ZINC000775487716 628099267 /nfs/dbraw/zinc/09/92/67/628099267.db2.gz NXYWTQDVMPNUHZ-GXTWGEPZSA-N 1 0 295.766 3.413 20 10 CGCDRO CC[C@@H]([NH2+]C1CCN(C2CCC2)CC1)c1ccccc1O ZINC000775497377 628101121 /nfs/dbraw/zinc/10/11/21/628101121.db2.gz PKTHCJKPCORURV-QGZVFWFLSA-N 1 0 288.435 3.450 20 10 CGCDRO COc1cccc(C[N@H+](C)Cc2cccc(C)c2O)c1 ZINC000775641791 628118096 /nfs/dbraw/zinc/11/80/96/628118096.db2.gz FAMRKHURTSERMX-UHFFFAOYSA-N 1 0 271.360 3.341 20 10 CGCDRO COc1ccc(O)c(C[N@H+](Cc2ccc(C)o2)C2CC2)c1 ZINC000775649220 628119208 /nfs/dbraw/zinc/11/92/08/628119208.db2.gz MUCBMHAFLFWTKJ-UHFFFAOYSA-N 1 0 287.359 3.467 20 10 CGCDRO Cc1cc([C@H]2CCC[N@@H+]2Cc2cccc(C)c2O)on1 ZINC000775655582 628120440 /nfs/dbraw/zinc/12/04/40/628120440.db2.gz GVGACHIBBIZAFT-CQSZACIVSA-N 1 0 272.348 3.334 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+](C)Cc2cccn2C)c1O ZINC000775714063 628128303 /nfs/dbraw/zinc/12/83/03/628128303.db2.gz QKOVLSCPAQFAOP-UHFFFAOYSA-N 1 0 278.783 3.325 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)c1O ZINC000775736152 628130993 /nfs/dbraw/zinc/13/09/93/628130993.db2.gz NXZJARDYAFIDCS-WFASDCNBSA-N 1 0 295.810 3.355 20 10 CGCDRO CCC1(CC)[C@H]([NH2+]Cc2cc(OC)ccc2O)C[C@H]1OC ZINC000776165471 628173763 /nfs/dbraw/zinc/17/37/63/628173763.db2.gz RAXPAZSYSKYIAA-HZPDHXFCSA-N 1 0 293.407 3.084 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CCO[C@H](C)C2)c1O ZINC000776256209 628185289 /nfs/dbraw/zinc/18/52/89/628185289.db2.gz NDOFTPLSFTWFPN-VXGBXAGGSA-N 1 0 283.799 3.259 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](OCC3CC3)C2)cc1C ZINC000777554869 628283091 /nfs/dbraw/zinc/28/30/91/628283091.db2.gz KVDOEWLCYNIXQG-QGZVFWFLSA-N 1 0 289.419 3.400 20 10 CGCDRO CC(C)[C@@H]1C[N@H+](Cc2c(O)ccc3ccccc32)CCO1 ZINC000777969856 628317412 /nfs/dbraw/zinc/31/74/12/628317412.db2.gz UPFCLBBBUKUPIQ-SFHVURJKSA-N 1 0 285.387 3.402 20 10 CGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@H]1CCO[C@H](C)C1 ZINC000779002048 628382846 /nfs/dbraw/zinc/38/28/46/628382846.db2.gz JQILVDSTYLZBBT-CABCVRRESA-N 1 0 277.408 3.419 20 10 CGCDRO C[C@@H]([NH2+]CCN1Cc2ccccc2C1)c1ccccc1O ZINC000783503855 628718925 /nfs/dbraw/zinc/71/89/25/628718925.db2.gz ZVGQEVVRJREJNQ-CQSZACIVSA-N 1 0 282.387 3.059 20 10 CGCDRO Cc1ccc(O)c(C[N@H+]2Cc3ccccc3OC[C@@H]2C)c1 ZINC000783597224 628730356 /nfs/dbraw/zinc/73/03/56/628730356.db2.gz KQXXLUJIRLAOIH-AWEZNQCLSA-N 1 0 283.371 3.484 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]CC[C@@H]2CCO[C@@H](C)C2)c1 ZINC000784643584 628827035 /nfs/dbraw/zinc/82/70/35/628827035.db2.gz LYBPRBKZNAGTFU-UONOGXRCSA-N 1 0 293.407 3.086 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)[C@H]2CC[C@H](O)CC2)cc1 ZINC000784670152 628828231 /nfs/dbraw/zinc/82/82/31/628828231.db2.gz NHTFIZGUEUKTEH-SAABIXHNSA-N 1 0 290.451 3.268 20 10 CGCDRO CO[C@@H](c1ccccc1)[C@H](C)[NH2+]Cc1ccccc1O ZINC000786819915 628965542 /nfs/dbraw/zinc/96/55/42/628965542.db2.gz CKWJNYIJBYOUAQ-SUMWQHHRSA-N 1 0 271.360 3.258 20 10 CGCDRO COc1ccc(N2CCC[N@H+](CC3(C)CC3)CC2)cc1 ZINC000787129459 628993436 /nfs/dbraw/zinc/99/34/36/628993436.db2.gz SADMCGMHPYGKFB-UHFFFAOYSA-N 1 0 274.408 3.007 20 10 CGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@H]2CCCC2(C)C)c1O ZINC000788465216 629055607 /nfs/dbraw/zinc/05/56/07/629055607.db2.gz RVQDDPRIHBCSSX-AWEZNQCLSA-N 1 0 279.355 3.402 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](O)CC(C)(C)C)c(O)c1 ZINC000788606166 629068500 /nfs/dbraw/zinc/06/85/00/629068500.db2.gz YNYJCQIKVKODJL-ZIAGYGMSSA-N 1 0 279.424 3.457 20 10 CGCDRO C[C@@H]([NH2+]CCOC(F)(F)F)c1cc(Cl)ccc1O ZINC000788981530 629093177 /nfs/dbraw/zinc/09/31/77/629093177.db2.gz RNVKQJLBGYWZGS-SSDOTTSWSA-N 1 0 283.677 3.233 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2C[C@H](C)C[C@H](C)[C@@H]2C)cc1OC ZINC000789586378 629147984 /nfs/dbraw/zinc/14/79/84/629147984.db2.gz NGHSHBJAHVDBQA-AGIUHOORSA-N 1 0 293.407 3.276 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)CCCCCO)cc1F ZINC000789762868 629166652 /nfs/dbraw/zinc/16/66/52/629166652.db2.gz XDCGNLKJMASWTP-UHFFFAOYSA-N 1 0 296.430 3.266 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CCSCC[C@H]2C)c1O ZINC000790480053 629212204 /nfs/dbraw/zinc/21/22/04/629212204.db2.gz WYTLFQWTGCOORP-GFCCVEGCSA-N 1 0 281.421 3.037 20 10 CGCDRO C[C@H]1CCSCC[N@@H+]1Cc1c(O)ccc2ccncc21 ZINC000790482304 629213185 /nfs/dbraw/zinc/21/31/85/629213185.db2.gz VZFNQVLQAQFBSU-LBPRGKRZSA-N 1 0 288.416 3.268 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1N(C)CCCC1(C)C)c1ccccc1O ZINC000790499569 629214365 /nfs/dbraw/zinc/21/43/65/629214365.db2.gz YBPJOHUJIVGRNX-XJKSGUPXSA-N 1 0 276.424 3.163 20 10 CGCDRO CCn1ccc(C[N@H+](C)Cc2c(O)cccc2Cl)c1 ZINC000792182990 629345925 /nfs/dbraw/zinc/34/59/25/629345925.db2.gz LPAMHGVSXNSGHY-UHFFFAOYSA-N 1 0 278.783 3.499 20 10 CGCDRO COCC[N@H+](Cc1cc(C)ccc1O)[C@H]1CC[C@@H](C)C1 ZINC000792193008 629347649 /nfs/dbraw/zinc/34/76/49/629347649.db2.gz PNNIQZQQIZNEML-ZBFHGGJFSA-N 1 0 277.408 3.338 20 10 CGCDRO COCC[N@H+](Cc1cccc(C)c1O)[C@@H]1CC[C@H](C)C1 ZINC000792193163 629348157 /nfs/dbraw/zinc/34/81/57/629348157.db2.gz RJRSIYRTKQGJRG-XJKSGUPXSA-N 1 0 277.408 3.338 20 10 CGCDRO CN(C)c1cc(F)c(C[N@@H+]2CC[C@@H]2C2CC2)cc1F ZINC000862385003 629358245 /nfs/dbraw/zinc/35/82/45/629358245.db2.gz NMMGQHVYFVLXHA-CQSZACIVSA-N 1 0 266.335 3.015 20 10 CGCDRO Cc1cccc(C[N@@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)c1O ZINC000862442329 629374722 /nfs/dbraw/zinc/37/47/22/629374722.db2.gz HRIKIMKGAFWUID-TXEJJXNPSA-N 1 0 269.335 3.424 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CS[C@@H](C(C)C)C2)c1 ZINC000862478857 629384955 /nfs/dbraw/zinc/38/49/55/629384955.db2.gz SYSLJNOUPNNRRU-DZGCQCFKSA-N 1 0 265.422 3.320 20 10 CGCDRO COc1cccc(C[NH+]2CC(Cc3cccs3)C2)c1O ZINC000862537472 629395153 /nfs/dbraw/zinc/39/51/53/629395153.db2.gz BMIQSQATXXFXNZ-UHFFFAOYSA-N 1 0 289.400 3.137 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](c3ccc(O)cc3)C2)cc1 ZINC000862540384 629395650 /nfs/dbraw/zinc/39/56/50/629395650.db2.gz DRTDOQWDPAUFJM-QGZVFWFLSA-N 1 0 296.414 3.448 20 10 CGCDRO COc1cc(Cl)cc(C[NH+]2[C@@H](C)C[C@@H]2C)c1O ZINC000793220848 629430515 /nfs/dbraw/zinc/43/05/15/629430515.db2.gz RXLIPOTWBULHCX-IUCAKERBSA-N 1 0 255.745 3.037 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](C1CC1)N(C)C)c1ccc(C)cc1O ZINC000794797429 629578247 /nfs/dbraw/zinc/57/82/47/629578247.db2.gz NJUMSPMIEBYRGN-HOTGVXAUSA-N 1 0 276.424 3.082 20 10 CGCDRO CC[C@H]([NH2+]CCN(CC)C(C)C)c1ccc(C)cc1O ZINC000794801657 629578349 /nfs/dbraw/zinc/57/83/49/629578349.db2.gz ATLPEWQSRGYRCM-INIZCTEOSA-N 1 0 278.440 3.472 20 10 CGCDRO CC[C@H]([NH2+]CCOc1cccnc1)c1ccc(C)cc1O ZINC000794808490 629580250 /nfs/dbraw/zinc/58/02/50/629580250.db2.gz OBWWSJLLLFDEHU-INIZCTEOSA-N 1 0 286.375 3.215 20 10 CGCDRO CC1=C(C)C[N@H+](Cc2cc3c(cc2O)CCC3)CC1 ZINC000794888710 629595004 /nfs/dbraw/zinc/59/50/04/629595004.db2.gz AZGRLPJLEHULMK-UHFFFAOYSA-N 1 0 257.377 3.423 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)N[C@@H]2CC[C@@H](C)[NH2+]C2)c1O ZINC000863548294 629602955 /nfs/dbraw/zinc/60/29/55/629602955.db2.gz WVSWOXVSZOIVBK-NTZNESFSSA-N 1 0 282.815 3.145 20 10 CGCDRO Cc1noc([C@H]2CCC[N@@H+]2Cc2cc(C)cc(C)c2O)n1 ZINC000795749532 629713081 /nfs/dbraw/zinc/71/30/81/629713081.db2.gz JENXQLNLMJFGSQ-CQSZACIVSA-N 1 0 287.363 3.038 20 10 CGCDRO CO[C@@H](C)C[N@H+](C)Cc1cc(C(C)C)c(C)cc1O ZINC000795750150 629713481 /nfs/dbraw/zinc/71/34/81/629713481.db2.gz JYEQXXOLENJAJO-ZDUSSCGKSA-N 1 0 265.397 3.291 20 10 CGCDRO CC(C)[C@H]1CC[C@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000796724752 629820680 /nfs/dbraw/zinc/82/06/80/629820680.db2.gz UHEANJPAORYDDM-UKRRQHHQSA-N 1 0 264.388 3.416 20 10 CGCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](c3ccccc3)C1)OCO2 ZINC000120272760 629933429 /nfs/dbraw/zinc/93/34/29/629933429.db2.gz KMVNKCPBVSYIQR-CQSZACIVSA-N 1 0 297.354 3.110 20 10 CGCDRO Cc1cc(C[NH2+]Cc2ccc3c(c2)CCO3)cc(Cl)n1 ZINC000797597475 629967448 /nfs/dbraw/zinc/96/74/48/629967448.db2.gz LPHWWFOCNFCVLR-UHFFFAOYSA-N 1 0 288.778 3.268 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCOCC(F)F)c1O ZINC000808715044 630296727 /nfs/dbraw/zinc/29/67/27/630296727.db2.gz HCWAQRYZYXAFOG-VIFPVBQESA-N 1 0 293.741 3.286 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)cc1F ZINC000800890186 630309449 /nfs/dbraw/zinc/30/94/49/630309449.db2.gz JBJZZYRDEQTNIZ-GZBFAFLISA-N 1 0 262.372 3.170 20 10 CGCDRO CCCC[N@H+](CCn1cc(C)cn1)Cc1ccccc1O ZINC000801599559 630347690 /nfs/dbraw/zinc/34/76/90/630347690.db2.gz TYEPMGQBVZITCZ-UHFFFAOYSA-N 1 0 287.407 3.199 20 10 CGCDRO COc1ccc(O)c(C[NH2+]CC(C)(C)C(F)(F)F)c1 ZINC000802653450 630402970 /nfs/dbraw/zinc/40/29/70/630402970.db2.gz VOSUZCSLXGXMIS-UHFFFAOYSA-N 1 0 277.286 3.079 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](C)Cn2ccnc2)c1O ZINC000808675518 630662998 /nfs/dbraw/zinc/66/29/98/630662998.db2.gz JLJWCQBTLDLPCT-VXGBXAGGSA-N 1 0 293.798 3.290 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCCN(C)C2)c1O ZINC000808679236 630663984 /nfs/dbraw/zinc/66/39/84/630663984.db2.gz IEUDJTQQHIZPKS-AAEUAGOBSA-N 1 0 282.815 3.099 20 10 CGCDRO CO[C@H](C)CC[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808690568 630664604 /nfs/dbraw/zinc/66/46/04/630664604.db2.gz MUZKRKROPUVNHR-MNOVXSKESA-N 1 0 271.788 3.430 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCN(C)C(C)C)c1O ZINC000808692614 630664984 /nfs/dbraw/zinc/66/49/84/630664984.db2.gz YRNZTQIBFGVRGK-LBPRGKRZSA-N 1 0 284.831 3.345 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCN2CC[C@H](C)C2)c1O ZINC000808701196 630666662 /nfs/dbraw/zinc/66/66/62/630666662.db2.gz YNJQQARZUQBBLR-WCQYABFASA-N 1 0 296.842 3.346 20 10 CGCDRO CO[C@H](C)C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808715078 630669799 /nfs/dbraw/zinc/66/97/99/630669799.db2.gz HZIGZKPKSZYVQI-ZJUUUORDSA-N 1 0 257.761 3.040 20 10 CGCDRO C/C=C\C[C@H](CO)[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808714711 630669910 /nfs/dbraw/zinc/66/99/10/630669910.db2.gz OUJCZFRVRPZXSB-YBLMTZRHSA-N 1 0 283.799 3.332 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@H](O)c2ccccc2)c(O)c1 ZINC000808720992 630670656 /nfs/dbraw/zinc/67/06/56/630670656.db2.gz FYIMWINAFPOUKQ-IYOUNJFTSA-N 1 0 285.387 3.473 20 10 CGCDRO CCC[N@H+](CCN1CCCC1)Cc1cc(C)c(C)cc1O ZINC000809700886 630785464 /nfs/dbraw/zinc/78/54/64/630785464.db2.gz QKIYBSYUNUVPKD-UHFFFAOYSA-N 1 0 290.451 3.317 20 10 CGCDRO CCOc1ccc(O)c(C[N@H+](CC)Cc2ccncc2)c1 ZINC000809725923 630793226 /nfs/dbraw/zinc/79/32/26/630793226.db2.gz ADOCWIUFHZCUCT-UHFFFAOYSA-N 1 0 286.375 3.208 20 10 CGCDRO COC(=O)c1cccc(C[NH2+]Cc2cc(C)c(C)cc2O)c1 ZINC000809729587 630793798 /nfs/dbraw/zinc/79/37/98/630793798.db2.gz KUPQHUHKWUGRNI-UHFFFAOYSA-N 1 0 299.370 3.085 20 10 CGCDRO CN(C)CC[N@@H+](Cc1ccccc1O)CC1CCCCC1 ZINC000809736777 630795091 /nfs/dbraw/zinc/79/50/91/630795091.db2.gz JGNKHIBOQUNAQV-UHFFFAOYSA-N 1 0 290.451 3.336 20 10 CGCDRO C[C@@H](C[N@H+](Cc1ccccc1O)[C@@H](C)CO)c1ccccc1 ZINC000809774932 630803932 /nfs/dbraw/zinc/80/39/32/630803932.db2.gz VFVFNUYVTPBLKH-HOTGVXAUSA-N 1 0 299.414 3.379 20 10 CGCDRO Oc1cc(C[NH2+]Cc2ccccc2O)cc(C(F)(F)F)c1 ZINC000810142355 630844679 /nfs/dbraw/zinc/84/46/79/630844679.db2.gz XTZQVGYNJRVDFD-UHFFFAOYSA-N 1 0 297.276 3.406 20 10 CGCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]CCc1cn[nH]c1 ZINC000810166776 630850226 /nfs/dbraw/zinc/85/02/26/630850226.db2.gz ZFWFCSQZGPEDFP-UHFFFAOYSA-N 1 0 293.370 3.115 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCOC1)c1ccc(C(F)(F)F)cc1O ZINC000810227976 630856577 /nfs/dbraw/zinc/85/65/77/630856577.db2.gz OILGDBNMMWRMFF-JQWIXIFHSA-N 1 0 289.297 3.241 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1CCOC1)c1ccc(C(F)(F)F)cc1O ZINC000810227978 630856687 /nfs/dbraw/zinc/85/66/87/630856687.db2.gz OILGDBNMMWRMFF-ZYHUDNBSSA-N 1 0 289.297 3.241 20 10 CGCDRO CCCN(CC)C[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000810263788 630862456 /nfs/dbraw/zinc/86/24/56/630862456.db2.gz TUOKUHJCZXSSDR-STQMWFEESA-N 1 0 282.403 3.302 20 10 CGCDRO Oc1ccccc1CN1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000811508233 631079079 /nfs/dbraw/zinc/07/90/79/631079079.db2.gz HHFRULJMZGMPGR-QGZVFWFLSA-N 1 0 294.398 3.377 20 10 CGCDRO CC1(C)[C@H](O)CC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000812778441 631307291 /nfs/dbraw/zinc/30/72/91/631307291.db2.gz GHEUHWMVXYBZIW-QGZVFWFLSA-N 1 0 288.435 3.022 20 10 CGCDRO Cc1cccc(O)c1C[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000876539281 634853054 /nfs/dbraw/zinc/85/30/54/634853054.db2.gz BIJDSAFZVKQZGX-UHFFFAOYSA-N 1 0 299.370 3.104 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)[C@H]1C ZINC000813857272 631470715 /nfs/dbraw/zinc/47/07/15/631470715.db2.gz RNCJHMJXJUZXAK-UHIISALHSA-N 1 0 250.361 3.026 20 10 CGCDRO Cc1cc(C[N@H+]2CCSCC[C@@H]2C)ccc1N(C)C ZINC000815100105 631716806 /nfs/dbraw/zinc/71/68/06/631716806.db2.gz CHHZSVDNEWHLGL-AWEZNQCLSA-N 1 0 278.465 3.388 20 10 CGCDRO Cc1cc(C[N@@H+]2CCS[C@H](C)CC2)ccc1N(C)C ZINC000815101773 631717620 /nfs/dbraw/zinc/71/76/20/631717620.db2.gz ANOZTROCZOFDQG-CQSZACIVSA-N 1 0 278.465 3.388 20 10 CGCDRO CO[C@@H]1CC[N@H+](Cc2ccc(N(C)C)c(C)c2)[C@@H](C)C1 ZINC000815107160 631719067 /nfs/dbraw/zinc/71/90/67/631719067.db2.gz HHCWLCBKRLHBGD-GOEBONIOSA-N 1 0 276.424 3.060 20 10 CGCDRO Cc1cc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)ccc1N(C)C ZINC000815113407 631720338 /nfs/dbraw/zinc/72/03/38/631720338.db2.gz ALHKFBZJAXQUHV-QZTJIDSGSA-N 1 0 288.435 3.204 20 10 CGCDRO Oc1c(C[NH2+]Cc2ccoc2)ccc2ccccc21 ZINC000816537560 632006028 /nfs/dbraw/zinc/00/60/28/632006028.db2.gz JBAUAGYDYIDXEZ-UHFFFAOYSA-N 1 0 253.301 3.428 20 10 CGCDRO CC[C@@H](O)CCC[NH2+]Cc1ccc2ccccc2c1O ZINC000816552320 632010643 /nfs/dbraw/zinc/01/06/43/632010643.db2.gz IPXSQVDZHODDFN-OAHLLOKOSA-N 1 0 273.376 3.186 20 10 CGCDRO Cc1cc(O)c(CN2CC[N@@H+](C)Cc3ccccc32)cc1C ZINC000816617544 632024528 /nfs/dbraw/zinc/02/45/28/632024528.db2.gz CKDOBMVPGDJSBS-UHFFFAOYSA-N 1 0 296.414 3.461 20 10 CGCDRO C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cc(F)cc(F)c1[O-] ZINC000817585249 632190401 /nfs/dbraw/zinc/19/04/01/632190401.db2.gz DJYUCURZWXCGFV-QFWMXSHPSA-N 1 0 298.377 3.194 20 10 CGCDRO CON1CCC([NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)CC1 ZINC000817589497 632192616 /nfs/dbraw/zinc/19/26/16/632192616.db2.gz YKHHSTMVBIWHLU-NSHDSACASA-N 1 0 298.814 3.030 20 10 CGCDRO Cc1cc(C[NH2+][C@H]2CCc3cccc(O)c32)cc(C)n1 ZINC000817588547 632193235 /nfs/dbraw/zinc/19/32/35/632193235.db2.gz HAJWSPJKQWYSMT-HNNXBMFYSA-N 1 0 268.360 3.181 20 10 CGCDRO CC[C@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1ccccc1 ZINC000817939077 632239154 /nfs/dbraw/zinc/23/91/54/632239154.db2.gz YOWMRPXBESSHDX-OALUTQOASA-N 1 0 297.446 3.493 20 10 CGCDRO CC[C@H]([NH2+]CCC[NH3+])c1cc(Cl)cc(Cl)c1[O-] ZINC000817938436 632239740 /nfs/dbraw/zinc/23/97/40/632239740.db2.gz KLZVQGCCAPZBIY-NSHDSACASA-N 1 0 277.195 3.089 20 10 CGCDRO CCC[C@@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)C1CCC1 ZINC000817942584 632240983 /nfs/dbraw/zinc/24/09/83/632240983.db2.gz PQVVOEGNYRGQSP-QZTJIDSGSA-N 1 0 289.467 3.311 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1cccc(Cl)c1[O-] ZINC000817946614 632243582 /nfs/dbraw/zinc/24/35/82/632243582.db2.gz BBJCXAGCCRCKCB-ZOWXZIJZSA-N 1 0 296.842 3.474 20 10 CGCDRO CC[NH2+]CCN[C@@H](CCc1ccccc1)c1ccccc1O ZINC000817952157 632247988 /nfs/dbraw/zinc/24/79/88/632247988.db2.gz OFFPFBKSRVNQBY-SFHVURJKSA-N 1 0 298.430 3.265 20 10 CGCDRO C[C@H]([NH2+]C[C@@H](N)c1ccccc1)c1cc(Cl)ccc1O ZINC000817954786 632250255 /nfs/dbraw/zinc/25/02/55/632250255.db2.gz JJSICBXKKRHAHJ-XHDPSFHLSA-N 1 0 290.794 3.396 20 10 CGCDRO Nc1ccc(CC[NH2+][C@@H]2CCc3c2c(F)ccc3F)cc1 ZINC000817956371 632251191 /nfs/dbraw/zinc/25/11/91/632251191.db2.gz XNSCCHIAPDNAFX-MRXNPFEDSA-N 1 0 288.341 3.367 20 10 CGCDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)c1ccc(F)cc1F ZINC000817956016 632251226 /nfs/dbraw/zinc/25/12/26/632251226.db2.gz NRMGTQSIPWUQSI-LLVKDONJSA-N 1 0 276.330 3.440 20 10 CGCDRO C[C@H]([NH2+]CCc1ccc(N)cc1)c1cnn(C2CCCC2)c1 ZINC000817956965 632252402 /nfs/dbraw/zinc/25/24/02/632252402.db2.gz GMPLSBVVBUMUSI-AWEZNQCLSA-N 1 0 298.434 3.474 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCc2ccc(N)cc2)c(O)c1 ZINC000817957968 632253232 /nfs/dbraw/zinc/25/32/32/632253232.db2.gz RREZDFFMCVFKQJ-ZDUSSCGKSA-N 1 0 270.376 3.176 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1ccc(Cl)c(Cl)c1[O-] ZINC000817963619 632258948 /nfs/dbraw/zinc/25/89/48/632258948.db2.gz WNCMJRVMUNUTQS-GZMMTYOYSA-N 1 0 291.222 3.335 20 10 CGCDRO CCCC[C@H](CN)[NH2+][C@@H](CC)c1ccc(C)cc1O ZINC000817963066 632259040 /nfs/dbraw/zinc/25/90/40/632259040.db2.gz ROSXTMPNIWNYFJ-HIFRSBDPSA-N 1 0 264.413 3.259 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2NCCc3ccccc32)c1 ZINC000817973390 632266592 /nfs/dbraw/zinc/26/65/92/632266592.db2.gz FCARSERIPFFPQG-KDOFPFPSSA-N 1 0 296.414 3.238 20 10 CGCDRO CC[C@@H](C)C[NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818220991 632299143 /nfs/dbraw/zinc/29/91/43/632299143.db2.gz KGVCAXZWRMZINH-CABCVRRESA-N 1 0 276.424 3.157 20 10 CGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H](C)C(C)C)C2)cc1 ZINC000818344730 632311022 /nfs/dbraw/zinc/31/10/22/632311022.db2.gz QDPDRPBRJUNUFM-GJZGRUSLSA-N 1 0 276.424 3.156 20 10 CGCDRO C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000818941657 632355137 /nfs/dbraw/zinc/35/51/37/632355137.db2.gz NASQMWMXYUPRIG-KXBFYZLASA-N 1 0 298.430 3.007 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]CC[C@@H]2CCSC2)c1O ZINC000866405159 633125428 /nfs/dbraw/zinc/12/54/28/633125428.db2.gz YDSXJRYOOCBDFF-NWDGAFQWSA-N 1 0 281.421 3.195 20 10 CGCDRO C[C@@H]([NH2+][C@H]1C[C@@H](CO)C1)c1ccc(N2CCCCC2)cc1 ZINC000866414733 633126956 /nfs/dbraw/zinc/12/69/56/633126956.db2.gz KFCAGXPUSSJXTO-INMHGKMJSA-N 1 0 288.435 3.098 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccnc(F)c2)c1 ZINC000866473185 633148081 /nfs/dbraw/zinc/14/80/81/633148081.db2.gz MBHNCTOIAFDBPE-NSHDSACASA-N 1 0 260.312 3.086 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]Cc1cccc(F)c1F)CC2 ZINC000866475584 633149348 /nfs/dbraw/zinc/14/93/48/633149348.db2.gz AIFPMYRYUHSYLT-ZDUSSCGKSA-N 1 0 275.298 3.448 20 10 CGCDRO C[C@@H]([NH2+]Cc1cc(C2CC2)nn1C)c1ccc(N(C)C)cc1 ZINC000824195374 633210341 /nfs/dbraw/zinc/21/03/41/633210341.db2.gz CBZXWTNLDLZEOX-CYBMUJFWSA-N 1 0 298.434 3.214 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCCn2nccc21)c1ccccc1O ZINC000866633090 633222624 /nfs/dbraw/zinc/22/26/24/633222624.db2.gz FOLRSBSSDKPWNC-KBPBESRZSA-N 1 0 271.364 3.165 20 10 CGCDRO CCOc1ccc(C[NH2+]CCCC(C)(F)F)c(O)c1 ZINC000824477491 633249733 /nfs/dbraw/zinc/24/97/33/633249733.db2.gz TUBHXTQHYFJVQW-UHFFFAOYSA-N 1 0 273.323 3.316 20 10 CGCDRO CC[C@@H](C)[C@H](C[NH2+]Cc1cc(C)c(C)cc1O)OC ZINC000824596236 633263068 /nfs/dbraw/zinc/26/30/68/633263068.db2.gz HIHISUBPQWVGOP-BZNIZROVSA-N 1 0 265.397 3.160 20 10 CGCDRO COc1cc(C[N@H+](C)Cc2c(C)cccc2O)ccc1O ZINC000876563042 634858779 /nfs/dbraw/zinc/85/87/79/634858779.db2.gz WVVBUHIPMAOUHL-UHFFFAOYSA-N 1 0 287.359 3.047 20 10 CGCDRO CC[C@@H]1CCC[C@@H]1C[NH2+]Cc1cccc(OC)c1O ZINC000824653486 633268743 /nfs/dbraw/zinc/26/87/43/633268743.db2.gz BUESMXQJZZAITE-CHWSQXEVSA-N 1 0 263.381 3.317 20 10 CGCDRO Cc1cccc(O)c1C[NH+]1CCC(C(F)(F)F)CC1 ZINC000876564218 634859263 /nfs/dbraw/zinc/85/92/63/634859263.db2.gz JWIAQDOTEGGROK-UHFFFAOYSA-N 1 0 273.298 3.475 20 10 CGCDRO CC[C@@H]([NH2+]CC(O)(CC)CC)c1ccc(N(C)C)cc1 ZINC000121915244 633276511 /nfs/dbraw/zinc/27/65/11/633276511.db2.gz WBZMVYHKVIWFOX-MRXNPFEDSA-N 1 0 278.440 3.344 20 10 CGCDRO Oc1cc2c(cc1C[N@@H+]1CCC3(CCC3)C1)CCC2 ZINC000121920709 633278708 /nfs/dbraw/zinc/27/87/08/633278708.db2.gz QMASPIBEEOLRQP-UHFFFAOYSA-N 1 0 257.377 3.257 20 10 CGCDRO CC[C@H]([NH2+]CC1(CF)CCOCC1)c1ccccc1O ZINC000824794781 633291291 /nfs/dbraw/zinc/29/12/91/633291291.db2.gz IGCRAOQYRFPTMZ-AWEZNQCLSA-N 1 0 281.371 3.199 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cc(-c2ccccc2)ccc1O)[C@@H](C)O ZINC000824922093 633306065 /nfs/dbraw/zinc/30/60/65/633306065.db2.gz WKXMNXCAEAJQDA-CXAGYDPISA-N 1 0 285.387 3.308 20 10 CGCDRO COc1cccc(C[N@@H+]2CCCc3ccccc3CC2)c1O ZINC000824982490 633313590 /nfs/dbraw/zinc/31/35/90/633313590.db2.gz GMTQTXJTKIWIFJ-UHFFFAOYSA-N 1 0 297.398 3.392 20 10 CGCDRO Cc1cccc(C[NH2+]CC(C)(C)C2(O)CCCC2)c1O ZINC000825240455 633338454 /nfs/dbraw/zinc/33/84/54/633338454.db2.gz LRXQSLJJAFMCCO-UHFFFAOYSA-N 1 0 277.408 3.122 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CC(C)(C)C[C@H](C)O)cc1Cl ZINC000825297292 633343344 /nfs/dbraw/zinc/34/33/44/633343344.db2.gz ABQZLNBHSCRUSR-NSHDSACASA-N 1 0 285.815 3.241 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCCOCC2)cc1Cl ZINC000825405507 633353118 /nfs/dbraw/zinc/35/31/18/633353118.db2.gz HUFHSSRKEGCLOY-LBPRGKRZSA-N 1 0 269.772 3.013 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCC(C)(C)O2)cc1Cl ZINC000825568539 633365538 /nfs/dbraw/zinc/36/55/38/633365538.db2.gz ZOVVYSQHDOBMTP-LBPRGKRZSA-N 1 0 283.799 3.401 20 10 CGCDRO CO[C@H]1C[N@H+](Cc2cc(Cl)c(C)cc2O)CC[C@@H]1C ZINC000825633561 633368606 /nfs/dbraw/zinc/36/86/06/633368606.db2.gz AXUJUFLAMHZIJV-BONVTDFDSA-N 1 0 283.799 3.211 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCSC2)cc1Cl ZINC000825731622 633378524 /nfs/dbraw/zinc/37/85/24/633378524.db2.gz JNTXUUGRNYZDMN-SNVBAGLBSA-N 1 0 271.813 3.197 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@]2(C)CCCO)cc1Cl ZINC000825928347 633388992 /nfs/dbraw/zinc/38/89/92/633388992.db2.gz RVTDDBUASRGCGU-INIZCTEOSA-N 1 0 297.826 3.481 20 10 CGCDRO COc1cc(C[NH+]2CC(C(F)F)C2)c(O)c(C(C)(C)C)c1 ZINC000826114082 633406109 /nfs/dbraw/zinc/40/61/09/633406109.db2.gz UMLVYEKUDXCCCU-UHFFFAOYSA-N 1 0 299.361 3.395 20 10 CGCDRO COc1cccc(C[NH+]2CCC(c3ccco3)CC2)c1O ZINC000826877153 633439965 /nfs/dbraw/zinc/43/99/65/633439965.db2.gz BFADHVIKXUWVDW-UHFFFAOYSA-N 1 0 287.359 3.373 20 10 CGCDRO COc1cccc(C[N@@H+]2CCc3ccc(C)cc3C2)c1O ZINC000826910234 633442804 /nfs/dbraw/zinc/44/28/04/633442804.db2.gz BHDOMROQPRWOHF-UHFFFAOYSA-N 1 0 283.371 3.268 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@]1(C)CC1(F)F ZINC000827251774 633475489 /nfs/dbraw/zinc/47/54/89/633475489.db2.gz NEKHKPZBHTZTRR-AWEZNQCLSA-N 1 0 268.351 3.196 20 10 CGCDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000827376796 633486597 /nfs/dbraw/zinc/48/65/97/633486597.db2.gz HVKJFTZVQFDJDA-SUMWQHHRSA-N 1 0 293.382 3.312 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H]1C(C)(C)C1(F)F ZINC000827511018 633495645 /nfs/dbraw/zinc/49/56/45/633495645.db2.gz MPWOIKJTOZXSEP-AWEZNQCLSA-N 1 0 282.378 3.442 20 10 CGCDRO COc1cccc(C[N@@H+]2CCC[C@H](C3CCC3)C2)c1O ZINC000827627497 633504168 /nfs/dbraw/zinc/50/41/68/633504168.db2.gz UUQMVKJLZAEMEA-AWEZNQCLSA-N 1 0 275.392 3.413 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCC1SCCS1 ZINC000827674566 633509714 /nfs/dbraw/zinc/50/97/14/633509714.db2.gz SEPPUFLVYXHAHW-UHFFFAOYSA-N 1 0 296.505 3.347 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H](OCCC(C)C)C1 ZINC000828088577 633558488 /nfs/dbraw/zinc/55/84/88/633558488.db2.gz YCCHYOFTTSJOLE-CQSZACIVSA-N 1 0 293.407 3.038 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCc3c(F)cccc3C2)c1 ZINC000123809353 633885486 /nfs/dbraw/zinc/88/54/86/633885486.db2.gz HBKPSGMJRWYMBM-UHFFFAOYSA-N 1 0 271.335 3.398 20 10 CGCDRO CCN(C)c1ccc(C[N@H+](C)Cc2ccccn2)cc1 ZINC000831039112 633912505 /nfs/dbraw/zinc/91/25/05/633912505.db2.gz VBXAVXQYEMHCKB-UHFFFAOYSA-N 1 0 269.392 3.170 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1)c1ccc(N(C)C)cc1 ZINC000872109465 634034636 /nfs/dbraw/zinc/03/46/36/634034636.db2.gz NKNCMWBEFWCFSM-DHXZDTOLSA-N 1 0 288.435 3.361 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCC[C@H]2CCOC2=O)c(O)c1 ZINC000872114210 634038896 /nfs/dbraw/zinc/03/88/96/634038896.db2.gz UTNQSCVIAINOOW-KBPBESRZSA-N 1 0 291.391 3.003 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2nccnc2C)c(O)c1 ZINC000872133371 634056000 /nfs/dbraw/zinc/05/60/00/634056000.db2.gz LYDQIRVSCDJORV-YPMHNXCESA-N 1 0 271.364 3.211 20 10 CGCDRO CN(Cc1ccccc1O)c1cc[nH+]cc1C1CC1 ZINC000872496368 634156414 /nfs/dbraw/zinc/15/64/14/634156414.db2.gz XXPWMSDZFJOREE-UHFFFAOYSA-N 1 0 254.333 3.301 20 10 CGCDRO C[C@@H]1CCC[C@@H](C)N1CC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834575824 634187815 /nfs/dbraw/zinc/18/78/15/634187815.db2.gz OUBXKIPPKGAIRF-IIAWOOMASA-N 1 0 288.435 3.232 20 10 CGCDRO COC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834611503 634196818 /nfs/dbraw/zinc/19/68/18/634196818.db2.gz LUPWDHUXNJNXDB-DLBZAZTESA-N 1 0 297.398 3.227 20 10 CGCDRO CCOCCC1(C[NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000834690266 634221087 /nfs/dbraw/zinc/22/10/87/634221087.db2.gz ZYJBVTJCHWKKOH-AWEZNQCLSA-N 1 0 275.392 3.176 20 10 CGCDRO CCCOc1ccc(C[NH2+]Cc2cc(C)n[nH]2)cc1C ZINC000873057157 634238428 /nfs/dbraw/zinc/23/84/28/634238428.db2.gz OJMNYTIYMJQKST-UHFFFAOYSA-N 1 0 273.380 3.105 20 10 CGCDRO C[C@]1(C[NH2+][C@@H]2CCc3cccc(O)c32)CCO[C@H]1C1CC1 ZINC000834769162 634239216 /nfs/dbraw/zinc/23/92/16/634239216.db2.gz ITJSHZDNAADFRJ-FHLIZLRMSA-N 1 0 287.403 3.174 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@H]2CCCOCC2)cc1C ZINC000873101814 634246319 /nfs/dbraw/zinc/24/63/19/634246319.db2.gz YWQPTPZKJKEMMV-INIZCTEOSA-N 1 0 277.408 3.443 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CC[C@H](C)CCO)c1O ZINC000834832557 634251304 /nfs/dbraw/zinc/25/13/04/634251304.db2.gz QAYGXFMLZSGKFZ-JQWIXIFHSA-N 1 0 285.815 3.413 20 10 CGCDRO COc1ccc(C[NH2+]C2CC(C)(C)C2)cc1Cn1cccn1 ZINC000873140479 634257317 /nfs/dbraw/zinc/25/73/17/634257317.db2.gz PHBRLFMQCLPLMN-UHFFFAOYSA-N 1 0 299.418 3.218 20 10 CGCDRO C[C@H](CCCO)C[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000834870124 634260188 /nfs/dbraw/zinc/26/01/88/634260188.db2.gz GHNOVHBQUPGXPC-NTZNESFSSA-N 1 0 281.371 3.078 20 10 CGCDRO COc1ccc(C[NH2+]C[C@@H]2C[C@H]3CCC[C@H]3O2)cc1C ZINC000873154810 634261762 /nfs/dbraw/zinc/26/17/62/634261762.db2.gz BFICSMNNNGVPAG-HLLBOEOZSA-N 1 0 275.392 3.051 20 10 CGCDRO CO[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000834887290 634267585 /nfs/dbraw/zinc/26/75/85/634267585.db2.gz ROXUTHNFWJHAHK-GAJTVXKRSA-N 1 0 269.772 3.264 20 10 CGCDRO CCOc1ccc(C[NH2+]CC2(OC(C)C)CCC2)c(O)c1 ZINC000873166652 634267965 /nfs/dbraw/zinc/26/79/65/634267965.db2.gz IDDCKSVWWMNGMR-UHFFFAOYSA-N 1 0 293.407 3.228 20 10 CGCDRO CC[C@H]([NH2+]CCC1(CO)CC1)c1cc(Cl)ccc1O ZINC000834897902 634274119 /nfs/dbraw/zinc/27/41/19/634274119.db2.gz WZXSSZJTVZHRPU-ZDUSSCGKSA-N 1 0 283.799 3.249 20 10 CGCDRO COCC1(C[NH2+][C@H](C)c2cc(F)ccc2O)CCCC1 ZINC000834906707 634282248 /nfs/dbraw/zinc/28/22/48/634282248.db2.gz SNYVXQKQKIZAGU-GFCCVEGCSA-N 1 0 281.371 3.389 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]C2(C)CC(F)(F)C2)c1 ZINC000873197838 634282342 /nfs/dbraw/zinc/28/23/42/634282342.db2.gz FABCTBWKHDEGFC-UHFFFAOYSA-N 1 0 271.307 3.068 20 10 CGCDRO C[C@@H]([NH2+]CCC1CC(F)(F)C1)c1ccccc1O ZINC000834909367 634284018 /nfs/dbraw/zinc/28/40/18/634284018.db2.gz QTNHLHHMNOMJGV-SNVBAGLBSA-N 1 0 255.308 3.478 20 10 CGCDRO CC[C@H]([NH2+]C[C@H]1CC[C@@H](C)O1)c1ccc(C)cc1O ZINC000834916091 634287292 /nfs/dbraw/zinc/28/72/92/634287292.db2.gz ZRHBPFADMNVUEM-NFAWXSAZSA-N 1 0 263.381 3.309 20 10 CGCDRO C[C@H](C1CC1)[N@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835025783 634323838 /nfs/dbraw/zinc/32/38/38/634323838.db2.gz NJHFBHGMMJCJPI-GEXIGZQTSA-N 1 0 258.409 3.496 20 10 CGCDRO CCOC1CC[NH+](C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000835026491 634325723 /nfs/dbraw/zinc/32/57/23/634325723.db2.gz YBQMYVZROXAQOJ-WAYWQWQTSA-N 1 0 288.435 3.267 20 10 CGCDRO Cc1noc(C)c1C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835034932 634327413 /nfs/dbraw/zinc/32/74/13/634327413.db2.gz CDSCUPYKGGPKPM-AATRIKPKSA-N 1 0 285.391 3.160 20 10 CGCDRO Cc1noc(C)c1CC[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835036435 634327652 /nfs/dbraw/zinc/32/76/52/634327652.db2.gz CZVFCNSYJSKQSN-WAYWQWQTSA-N 1 0 299.418 3.203 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@H]2CCOC(C)(C)C2)cc1 ZINC000835041068 634329198 /nfs/dbraw/zinc/32/91/98/634329198.db2.gz JVPNIQFZOZMMPG-JFDDCEBESA-N 1 0 288.435 3.313 20 10 CGCDRO CC[C@H]([NH2+]C/C=C\c1ccc(N(C)C)cc1)[C@@H]1CCCO1 ZINC000835040409 634329361 /nfs/dbraw/zinc/32/93/61/634329361.db2.gz CCMPSFGECABNPQ-DLCHJWGKSA-N 1 0 288.435 3.313 20 10 CGCDRO CC[C@H](C)[C@](C)(O)C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835041248 634329808 /nfs/dbraw/zinc/32/98/08/634329808.db2.gz XSPBMBVXRQVUCC-YMQRJHMESA-N 1 0 290.451 3.153 20 10 CGCDRO CCC[C@@H](C[NH2+]C/C=C/c1ccc(N(C)C)cc1)OC ZINC000835054695 634337794 /nfs/dbraw/zinc/33/77/94/634337794.db2.gz MENNXNZIIOGJEL-JKNJVXJCSA-N 1 0 276.424 3.171 20 10 CGCDRO Cc1ccncc1C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835055752 634338833 /nfs/dbraw/zinc/33/88/33/634338833.db2.gz YOKVLMKPGDXUBF-PLNGDYQASA-N 1 0 281.403 3.259 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H]2CCOC(C)(C)C2)c1 ZINC000835058962 634340137 /nfs/dbraw/zinc/34/01/37/634340137.db2.gz CSQPDEMYMITXFQ-CYBMUJFWSA-N 1 0 293.407 3.086 20 10 CGCDRO Cc1ccc(C[NH+]2CCC(OCC(C)C)CC2)c(O)c1 ZINC000876626713 634871438 /nfs/dbraw/zinc/87/14/38/634871438.db2.gz GKXFZFHRKRYKEG-UHFFFAOYSA-N 1 0 277.408 3.338 20 10 CGCDRO Cc1cccc(O)c1CN1CCC[N@@H+](C(C)(C)C)CC1 ZINC000876650962 634875656 /nfs/dbraw/zinc/87/56/56/634875656.db2.gz LDRVOBDXJRIDJL-UHFFFAOYSA-N 1 0 276.424 3.007 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000876756435 634892470 /nfs/dbraw/zinc/89/24/70/634892470.db2.gz RSQQFFNQPWCJON-MRXNPFEDSA-N 1 0 288.435 3.151 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]CCSC(F)(F)F ZINC000876939445 634931914 /nfs/dbraw/zinc/93/19/14/634931914.db2.gz ZDNODGJTPYURAU-UHFFFAOYSA-N 1 0 265.300 3.043 20 10 CGCDRO CO[C@@H](C[NH2+]Cc1c(C)cccc1O)c1ccccc1 ZINC000876959000 634937414 /nfs/dbraw/zinc/93/74/14/634937414.db2.gz NPXHXKHJFWXTJQ-KRWDZBQOSA-N 1 0 271.360 3.178 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc(C)cc1O)c1nccs1 ZINC000877053087 634964393 /nfs/dbraw/zinc/96/43/93/634964393.db2.gz CFCLFYZICLSKNZ-GFCCVEGCSA-N 1 0 262.378 3.398 20 10 CGCDRO c1csc(SCCC[NH2+]Cc2cc(C3CC3)no2)n1 ZINC000877061969 634967270 /nfs/dbraw/zinc/96/72/70/634967270.db2.gz WRZMNTXHWXWABJ-UHFFFAOYSA-N 1 0 295.433 3.281 20 10 CGCDRO CCOC1CC(C[NH2+]CCCSc2nccs2)C1 ZINC000877061455 634967793 /nfs/dbraw/zinc/96/77/93/634967793.db2.gz IERLJHAPFPRYLH-UHFFFAOYSA-N 1 0 286.466 3.030 20 10 CGCDRO c1csc(SCCC[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)n1 ZINC000877061223 634967848 /nfs/dbraw/zinc/96/78/48/634967848.db2.gz AMHFSAZPLQNRLP-ZSBIGDGJSA-N 1 0 268.451 3.261 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2c(C)cccc2F)c(O)c1 ZINC000877067361 634969930 /nfs/dbraw/zinc/96/99/30/634969930.db2.gz CJNFARGGEXQLPN-UHFFFAOYSA-N 1 0 259.324 3.438 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]C[C@@H]1CCCO[C@H]1C(C)C ZINC000877074011 634972405 /nfs/dbraw/zinc/97/24/05/634972405.db2.gz XMJVZIYLZOVDSF-YOEHRIQHSA-N 1 0 277.408 3.241 20 10 CGCDRO Cc1cccc(O)c1C[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000877086983 634979648 /nfs/dbraw/zinc/97/96/48/634979648.db2.gz DJEPCLCAAJWBTB-AWEZNQCLSA-N 1 0 275.392 3.282 20 10 CGCDRO Cc1noc(C)c1[C@H](C)C[NH2+]Cc1c(C)cccc1O ZINC000877112758 634987117 /nfs/dbraw/zinc/98/71/17/634987117.db2.gz YUUZTWJMIHAUNI-LLVKDONJSA-N 1 0 274.364 3.199 20 10 CGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@@H](C)[C@H]1CC1(F)F ZINC000877479648 635052704 /nfs/dbraw/zinc/05/27/04/635052704.db2.gz VNCUPJKGXAPLSW-SMDDNHRTSA-N 1 0 268.351 3.405 20 10 CGCDRO COCC[C@H](C)C[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000840836307 635061657 /nfs/dbraw/zinc/06/16/57/635061657.db2.gz XVDVLCWACVHCKH-FZMZJTMJSA-N 1 0 265.397 3.332 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@H](O)c2ccccc2)c(Cl)c1 ZINC000840875750 635071513 /nfs/dbraw/zinc/07/15/13/635071513.db2.gz GWERJCNDAGUHMO-INIZCTEOSA-N 1 0 291.778 3.177 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(C)cc2O)c1 ZINC000877533050 635076645 /nfs/dbraw/zinc/07/66/45/635076645.db2.gz KIYMDCLRSOPHHX-GFCCVEGCSA-N 1 0 287.359 3.266 20 10 CGCDRO CCOC[C@H](C)[NH2+][C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000840894120 635077358 /nfs/dbraw/zinc/07/73/58/635077358.db2.gz PIMDBKBEEUBOLP-GJZGRUSLSA-N 1 0 278.440 3.007 20 10 CGCDRO CC[C@@H](C)[C@](C)(O)C[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840898606 635078369 /nfs/dbraw/zinc/07/83/69/635078369.db2.gz YWUHKVKAPFZKEO-IAQYHMDHSA-N 1 0 285.815 3.241 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000877540457 635079248 /nfs/dbraw/zinc/07/92/48/635079248.db2.gz ZNTKJOUKTGKENF-JKSUJKDBSA-N 1 0 275.392 3.090 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)c(Cl)c1 ZINC000840919356 635083323 /nfs/dbraw/zinc/08/33/23/635083323.db2.gz CSBIPMAQIZSZBI-WFASDCNBSA-N 1 0 295.810 3.355 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](CO)c1ccccc1C ZINC000840935177 635085143 /nfs/dbraw/zinc/08/51/43/635085143.db2.gz HPNRRRVPOFJUCA-LJQANCHMSA-N 1 0 298.430 3.193 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C)[C@@H]1CCCO1 ZINC000840937790 635086094 /nfs/dbraw/zinc/08/60/94/635086094.db2.gz XYQBWOQKDJIIHH-SJORKVTESA-N 1 0 276.424 3.108 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCC(F)(F)C1 ZINC000840936940 635086109 /nfs/dbraw/zinc/08/61/09/635086109.db2.gz OADGBVONDLTDDB-CYBMUJFWSA-N 1 0 268.351 3.338 20 10 CGCDRO CO[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2C)[C@H](C)C1 ZINC000840942446 635088073 /nfs/dbraw/zinc/08/80/73/635088073.db2.gz ODDVUBOSLLOQLD-PBHICJAKSA-N 1 0 276.424 3.060 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000840941166 635088309 /nfs/dbraw/zinc/08/83/09/635088309.db2.gz POWLNVCIUQWSCD-KSSFIOAISA-N 1 0 288.435 3.060 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000840941164 635088339 /nfs/dbraw/zinc/08/83/39/635088339.db2.gz POWLNVCIUQWSCD-KDOFPFPSSA-N 1 0 288.435 3.060 20 10 CGCDRO Cc1cc(O)c(CN2CCC[C@H]([NH+](C)C)CC2)c(Cl)c1 ZINC000840941727 635088368 /nfs/dbraw/zinc/08/83/68/635088368.db2.gz JEWNHOZSJULGMJ-ZDUSSCGKSA-N 1 0 296.842 3.270 20 10 CGCDRO COCCC1([NH2+]Cc2ccc(N(C)C)cc2C)CCC1 ZINC000840941606 635088534 /nfs/dbraw/zinc/08/85/34/635088534.db2.gz ZZGOVTMJCJRJML-UHFFFAOYSA-N 1 0 276.424 3.110 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]C/C=C/c2ccc(N(C)C)cc2)CS1 ZINC000840959597 635094051 /nfs/dbraw/zinc/09/40/51/635094051.db2.gz WZTCBQOXHICTNL-BCBDKAHJSA-N 1 0 276.449 3.249 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cc(Cl)cc(C)c1O)[C@H](O)C(C)C ZINC000840967910 635095727 /nfs/dbraw/zinc/09/57/27/635095727.db2.gz KWPARNFFYWKYHG-ZIAGYGMSSA-N 1 0 285.815 3.239 20 10 CGCDRO Cc1cccc(O)c1C[NH2+][C@H]1CCO[C@H](c2ccncc2)C1 ZINC000877569349 635096491 /nfs/dbraw/zinc/09/64/91/635096491.db2.gz NMZOKJNXUKKSQR-YJBOKZPZSA-N 1 0 298.386 3.106 20 10 CGCDRO Cc1ccc(C[NH2+]C[C@H]2CC23CCSCC3)c(O)c1 ZINC000877595327 635105967 /nfs/dbraw/zinc/10/59/67/635105967.db2.gz YFEOYHMOBXCSIT-CQSZACIVSA-N 1 0 277.433 3.324 20 10 CGCDRO COc1ccc(N(C)C[C@@H]2CC[NH2+][C@H](C)C2)cc1Cl ZINC000841011827 635106441 /nfs/dbraw/zinc/10/64/41/635106441.db2.gz ONAWGZGESLJWDF-VXGBXAGGSA-N 1 0 282.815 3.173 20 10 CGCDRO CCOc1ccc(O)c(CNc2ccc([C@@H](C)[NH3+])cc2)c1 ZINC000841028767 635108956 /nfs/dbraw/zinc/10/89/56/635108956.db2.gz RIUNJFZQBQTJFX-GFCCVEGCSA-N 1 0 286.375 3.423 20 10 CGCDRO COc1ccc(C[NH2+]CCc2ccc(N)cc2)cc1Cl ZINC000841035863 635111022 /nfs/dbraw/zinc/11/10/22/635111022.db2.gz PSMXXQHJHXJMSH-UHFFFAOYSA-N 1 0 290.794 3.263 20 10 CGCDRO C[C@@H](CC1CCCC1)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000841046127 635114233 /nfs/dbraw/zinc/11/42/33/635114233.db2.gz WSGDMBLKFBJZPO-KBXCAEBGSA-N 1 0 289.467 3.311 20 10 CGCDRO CCCCC[C@@H](C)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000841046265 635114286 /nfs/dbraw/zinc/11/42/86/635114286.db2.gz YRTUSQQLUZKFIN-RHSMWYFYSA-N 1 0 277.456 3.311 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCC[C@H](OC3CCC3)C2)c(O)c1 ZINC000877618558 635115579 /nfs/dbraw/zinc/11/55/79/635115579.db2.gz YRFQBIUGDXRHEN-INIZCTEOSA-N 1 0 275.392 3.234 20 10 CGCDRO C[C@@H]1CN(Cc2cccc(F)c2O)c2ccccc2C[NH2+]1 ZINC000841088787 635119559 /nfs/dbraw/zinc/11/95/59/635119559.db2.gz DNZQLKWXXHELKZ-GFCCVEGCSA-N 1 0 286.350 3.030 20 10 CGCDRO CCSC1(C[NH2+]Cc2c(C)cccc2O)CC1 ZINC000877636062 635125464 /nfs/dbraw/zinc/12/54/64/635125464.db2.gz LMAROPDSDHRUDW-UHFFFAOYSA-N 1 0 251.395 3.076 20 10 CGCDRO CCc1cccc(C[NH+]2CCC(SC)CC2)c1O ZINC000877663584 635137498 /nfs/dbraw/zinc/13/74/98/635137498.db2.gz VKFJWLKYEQIARD-UHFFFAOYSA-N 1 0 265.422 3.282 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2C[C@H](C)O[C@H]2C)cc1Cl ZINC000877682374 635144323 /nfs/dbraw/zinc/14/43/23/635144323.db2.gz NHCNEQKXSPLUAB-OUJBWJOFSA-N 1 0 269.772 3.010 20 10 CGCDRO Cc1ccc(C[NH2+][C@H](C2CCC2)[C@H]2CCCO2)c(O)c1 ZINC000877701312 635152742 /nfs/dbraw/zinc/15/27/42/635152742.db2.gz QGTCRNUVGJZKIU-IAGOWNOFSA-N 1 0 275.392 3.138 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH+]1CCC(C(C)(C)O)CC1 ZINC000877751916 635182110 /nfs/dbraw/zinc/18/21/10/635182110.db2.gz KZSDTVUZCGKGEF-UHFFFAOYSA-N 1 0 290.451 3.044 20 10 CGCDRO COC(=O)C[C@@H]1CC[C@@H]([NH2+][C@H](C)c2ccccc2O)[C@H]1C ZINC000877755447 635184683 /nfs/dbraw/zinc/18/46/83/635184683.db2.gz BMEGREYUNLGWEZ-SFDCQRBFSA-N 1 0 291.391 3.021 20 10 CGCDRO Cc1csc([C@@H]2CC[N@H+](Cc3c(C)cccc3O)C2)n1 ZINC000877813913 635221416 /nfs/dbraw/zinc/22/14/16/635221416.db2.gz LSDGKLOMABKRRI-CYBMUJFWSA-N 1 0 288.416 3.455 20 10 CGCDRO CC(C)N(C)CC[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841747630 635224050 /nfs/dbraw/zinc/22/40/50/635224050.db2.gz RTWWSKGMWZXERK-LLVKDONJSA-N 1 0 270.804 3.036 20 10 CGCDRO C[C@H]([NH2+]C[C@](C)(O)C(F)(F)F)c1ccc(Cl)cc1O ZINC000841750799 635225335 /nfs/dbraw/zinc/22/53/35/635225335.db2.gz JDRJKWAZTBVHQG-CPCISQLKSA-N 1 0 297.704 3.010 20 10 CGCDRO C[C@@H]([NH2+][C@@H](CO)c1ccsc1)c1ccc(Cl)cc1O ZINC000841751019 635225706 /nfs/dbraw/zinc/22/57/06/635225706.db2.gz FAZAZCDIJFBVDI-RNCFNFMXSA-N 1 0 297.807 3.491 20 10 CGCDRO C[C@@H]([NH2+]CCOCC1CC1)c1ccc(Cl)cc1O ZINC000841757861 635231130 /nfs/dbraw/zinc/23/11/30/635231130.db2.gz GDGVKOMIVQUEFK-SNVBAGLBSA-N 1 0 269.772 3.123 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C2CC(Nc3ccccc3)C2)c1 ZINC000877829622 635232011 /nfs/dbraw/zinc/23/20/11/635232011.db2.gz YHWMMJRLJZKUDY-UHFFFAOYSA-N 1 0 298.386 3.134 20 10 CGCDRO CCC[N@H+](Cc1cncn1CC)Cc1ccccc1O ZINC000841837137 635241972 /nfs/dbraw/zinc/24/19/72/635241972.db2.gz YPJAYMNOCLDGQU-UHFFFAOYSA-N 1 0 273.380 3.021 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CCSC[C@@H]1C1CCC1 ZINC000841894157 635248706 /nfs/dbraw/zinc/24/87/06/635248706.db2.gz SMQZIQDDFMOQIN-CQSZACIVSA-N 1 0 263.406 3.110 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@H]2COCc3ccccc32)c1 ZINC000841891760 635248883 /nfs/dbraw/zinc/24/88/83/635248883.db2.gz UERPLJUVIJYVHB-KRWDZBQOSA-N 1 0 299.370 3.152 20 10 CGCDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(C)CC3)cc2)CO1 ZINC000842677441 635437137 /nfs/dbraw/zinc/43/71/37/635437137.db2.gz QAOHRYGRWRKZHL-RDJZCZTQSA-N 1 0 288.435 3.190 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)CO1 ZINC000842776240 635468954 /nfs/dbraw/zinc/46/89/54/635468954.db2.gz ULGKCJDTCSZOCM-DYVFJYSZSA-N 1 0 283.371 3.326 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)cc1F ZINC000842776793 635468970 /nfs/dbraw/zinc/46/89/70/635468970.db2.gz PEWJVXOMQBCKEN-MGPQQGTHSA-N 1 0 262.372 3.170 20 10 CGCDRO CC[C@H](C)C[C@H](CO)[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000842920756 635512185 /nfs/dbraw/zinc/51/21/85/635512185.db2.gz ZYDGGTVOVXQKRR-DMDPSCGWSA-N 1 0 285.815 3.493 20 10 CGCDRO Cc1cc(O)c(CN2CCCc3cc(C[NH3+])ccc32)cc1C ZINC000843057409 635553039 /nfs/dbraw/zinc/55/30/39/635553039.db2.gz DCVQAXAJKFAAOC-UHFFFAOYSA-N 1 0 296.414 3.421 20 10 CGCDRO CC(C)(C)n1cc(CN2CCCc3cc(C[NH3+])ccc32)cn1 ZINC000843057789 635553188 /nfs/dbraw/zinc/55/31/88/635553188.db2.gz VXLUPCQISZTFTF-UHFFFAOYSA-N 1 0 298.434 3.050 20 10 CGCDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000843415935 635661266 /nfs/dbraw/zinc/66/12/66/635661266.db2.gz NJZLDKUHYRGRMQ-INIZCTEOSA-N 1 0 287.334 3.185 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CC[C@H](c3cccnc3)C2)c1O ZINC000843419073 635665330 /nfs/dbraw/zinc/66/53/30/635665330.db2.gz BFBRMBPJLLFBCM-HNNXBMFYSA-N 1 0 298.386 3.175 20 10 CGCDRO Cc1cccc(C[N@H+]2CC3(C[C@@H]2C)CCOCC3)c1O ZINC000843431879 635674918 /nfs/dbraw/zinc/67/49/18/635674918.db2.gz MDJQXVMJOWTZTB-AWEZNQCLSA-N 1 0 275.392 3.092 20 10 CGCDRO COC(=O)c1ccc([C@H](C)[NH2+][C@H](C)c2ccccc2O)o1 ZINC000879649062 635827018 /nfs/dbraw/zinc/82/70/18/635827018.db2.gz KVDZOBPFBXIYRV-MNOVXSKESA-N 1 0 289.331 3.184 20 10 CGCDRO Cc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccccc2O)cc1C ZINC000879651490 635828244 /nfs/dbraw/zinc/82/82/44/635828244.db2.gz XXMDSJWZDGPZMG-AWEZNQCLSA-N 1 0 298.386 3.298 20 10 CGCDRO COc1ccc(N(C)CC[N@H+](C)CCCCCF)cc1 ZINC000844402263 635891031 /nfs/dbraw/zinc/89/10/31/635891031.db2.gz RCHOPZYPKCRJEU-UHFFFAOYSA-N 1 0 282.403 3.203 20 10 CGCDRO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1Cc1cc(OC)c(C)cc1O ZINC000844722936 635957439 /nfs/dbraw/zinc/95/74/39/635957439.db2.gz JQWMSDQVIYINBI-CABCVRRESA-N 1 0 293.407 3.099 20 10 CGCDRO CC[C@@H]1C[N@H+](Cc2cc(C)cc(OC)c2O)[C@@H](CC)CO1 ZINC000844724827 635957698 /nfs/dbraw/zinc/95/76/98/635957698.db2.gz FGJSOKPGIQSODY-LSDHHAIUSA-N 1 0 293.407 3.099 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc3c(n2)CCC3)c1 ZINC000845970955 636125332 /nfs/dbraw/zinc/12/53/32/636125332.db2.gz GEMGCXLWKJOOHL-LBPRGKRZSA-N 1 0 298.386 3.135 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(C)c2O)c1 ZINC000845970874 636125427 /nfs/dbraw/zinc/12/54/27/636125427.db2.gz DYXBUPYAMRJWKZ-GFCCVEGCSA-N 1 0 287.359 3.266 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc3c(n2)CCC3)c1 ZINC000845970954 636125743 /nfs/dbraw/zinc/12/57/43/636125743.db2.gz GEMGCXLWKJOOHL-GFCCVEGCSA-N 1 0 298.386 3.135 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]CCc2ccc(C)o2)c1O ZINC000846140035 636148699 /nfs/dbraw/zinc/14/86/99/636148699.db2.gz ZAMRBQLPWBPRJV-LBPRGKRZSA-N 1 0 275.348 3.196 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@H](C)Cc2ccco2)c1O ZINC000846139565 636148988 /nfs/dbraw/zinc/14/89/88/636148988.db2.gz VYUXUNOPLFHPTE-NEPJUHHUSA-N 1 0 275.348 3.276 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]C[C@]2(C)CCCS2)c1O ZINC000846144345 636149388 /nfs/dbraw/zinc/14/93/88/636149388.db2.gz CKPWLYRMEFQLNT-ABAIWWIYSA-N 1 0 281.421 3.337 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]Cc2ccn(C(C)C)n2)c1O ZINC000846146982 636149907 /nfs/dbraw/zinc/14/99/07/636149907.db2.gz TZWBLKVUPOVRLZ-LBPRGKRZSA-N 1 0 289.379 3.029 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CC23CCCC3)c1O ZINC000846164767 636150988 /nfs/dbraw/zinc/15/09/88/636150988.db2.gz IHNJYTWFWRYHBX-BXUZGUMPSA-N 1 0 261.365 3.384 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](C)c2nccs2)c1O ZINC000846162657 636151200 /nfs/dbraw/zinc/15/12/00/636151200.db2.gz IYCZRPMBIZVTAA-GHMZBOCLSA-N 1 0 292.404 3.312 20 10 CGCDRO COCC1(C[NH2+][C@H](C)c2cccc(OC)c2O)CCCC1 ZINC000846168578 636151800 /nfs/dbraw/zinc/15/18/00/636151800.db2.gz KNITVAMNULNJTL-CYBMUJFWSA-N 1 0 293.407 3.258 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]CCC[C@@H]2CCCCO2)c1O ZINC000846166687 636151830 /nfs/dbraw/zinc/15/18/30/636151830.db2.gz ZQSZDXSMZSUCBN-KGLIPLIRSA-N 1 0 293.407 3.401 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2COc3ccccc32)c1O ZINC000846169539 636153027 /nfs/dbraw/zinc/15/30/27/636153027.db2.gz DYTLNUIYNNLBKD-QWHCGFSZSA-N 1 0 299.370 3.228 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]C[C@H](C)CC(F)F)c1O ZINC000846175139 636153830 /nfs/dbraw/zinc/15/38/30/636153830.db2.gz XDAJOZVWPFPNJY-NXEZZACHSA-N 1 0 273.323 3.343 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@H](C)[C@](C)(OC)C2CC2)c1O ZINC000846173422 636154089 /nfs/dbraw/zinc/15/40/89/636154089.db2.gz QSROESLUFVMQJT-JKDFXYPNSA-N 1 0 293.407 3.255 20 10 CGCDRO C[N@H+](CCC(=O)OC(C)(C)C)Cc1c(O)cccc1Cl ZINC000131260344 636600456 /nfs/dbraw/zinc/60/04/56/636600456.db2.gz LXSUIQTXJSKAER-UHFFFAOYSA-N 1 0 299.798 3.209 20 10 CGCDRO C[C@H](C[NH2+][C@H](C)c1cc(F)ccc1O)C(=O)OC(C)(C)C ZINC000848563631 636607873 /nfs/dbraw/zinc/60/78/73/636607873.db2.gz VYLUHDHGAVMMMU-GHMZBOCLSA-N 1 0 297.370 3.160 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H]2C[C@H](OC)C2)cc1 ZINC000883270407 636642231 /nfs/dbraw/zinc/64/22/31/636642231.db2.gz NENPQOGQRPEESL-CKEIUWERSA-N 1 0 276.424 3.218 20 10 CGCDRO CCc1cccc(C[N@@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)c1O ZINC000848889821 636677986 /nfs/dbraw/zinc/67/79/86/636677986.db2.gz MVPGTWRSCNELEL-RHSMWYFYSA-N 1 0 299.418 3.234 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H]2CCC[C@@H]3OCC[C@@H]32)c1O ZINC000848897406 636679611 /nfs/dbraw/zinc/67/96/11/636679611.db2.gz IFJVTMOBJXYMMW-OAGGEKHMSA-N 1 0 275.392 3.002 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@H]2OCCc3ccccc32)c1O ZINC000848896968 636679781 /nfs/dbraw/zinc/67/97/81/636679781.db2.gz LNKLYPSPWPBUJN-GOSISDBHSA-N 1 0 297.398 3.358 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@@H](CCO)CC(C)C)c1O ZINC000848897829 636680808 /nfs/dbraw/zinc/68/08/08/636680808.db2.gz MNYZYLALWYJNER-AWEZNQCLSA-N 1 0 279.424 3.089 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c1O ZINC000848900752 636681479 /nfs/dbraw/zinc/68/14/79/636681479.db2.gz PYGGWFDXROAEKO-OIISXLGYSA-N 1 0 287.403 3.002 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)c1O ZINC000848908934 636685591 /nfs/dbraw/zinc/68/55/91/636685591.db2.gz GFHQALVHTQKXIO-HOTGVXAUSA-N 1 0 275.392 3.098 20 10 CGCDRO CCc1cccc(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c1O ZINC000848913285 636687474 /nfs/dbraw/zinc/68/74/74/636687474.db2.gz SYMIRJVPXIEMTL-DZGCQCFKSA-N 1 0 281.346 3.432 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H](C)c2nccn2CC)c1O ZINC000848914308 636688455 /nfs/dbraw/zinc/68/84/55/636688455.db2.gz GPNIDSQJQDCUCG-LBPRGKRZSA-N 1 0 273.380 3.022 20 10 CGCDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC000848925099 636697922 /nfs/dbraw/zinc/69/79/22/636697922.db2.gz NLQRTBCSKJCUPK-HNNXBMFYSA-N 1 0 279.355 3.065 20 10 CGCDRO Cc1cccc(C[NH2+][C@H](CC(=O)OC(C)C)C(C)C)c1O ZINC000848927766 636700669 /nfs/dbraw/zinc/70/06/69/636700669.db2.gz NFUWAIOKBWUOPX-OAHLLOKOSA-N 1 0 293.407 3.157 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC2(O)CCCCCC2)c1 ZINC000087088608 636789272 /nfs/dbraw/zinc/78/92/72/636789272.db2.gz KHAKDQDJVBNSIQ-CQSZACIVSA-N 1 0 277.408 3.437 20 10 CGCDRO C[C@H]([NH2+]CCCSc1nccs1)C1CCOCC1 ZINC000132320483 636801162 /nfs/dbraw/zinc/80/11/62/636801162.db2.gz SOEZXPLNHWJQPS-NSHDSACASA-N 1 0 286.466 3.030 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CCCSC1)c1ccc(N(C)C)cc1 ZINC000132437689 636808405 /nfs/dbraw/zinc/80/84/05/636808405.db2.gz WHETWAXSCUOATK-OCCSQVGLSA-N 1 0 264.438 3.299 20 10 CGCDRO COCCCC[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850031531 636930241 /nfs/dbraw/zinc/93/02/41/636930241.db2.gz HEVLSAPBKNGPOF-UHFFFAOYSA-N 1 0 295.423 3.215 20 10 CGCDRO CC[C@H](COC)[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850152098 636967341 /nfs/dbraw/zinc/96/73/41/636967341.db2.gz HRRDLWGSSKSMJL-CYBMUJFWSA-N 1 0 295.423 3.213 20 10 CGCDRO COc1cc(C[NH2+]CC(C)(C)OC)c(O)c(C(C)(C)C)c1 ZINC000850160684 636970445 /nfs/dbraw/zinc/97/04/45/636970445.db2.gz QXZZIHXTFYEUDN-UHFFFAOYSA-N 1 0 295.423 3.213 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H]2COC(C)(C)C2)c(Cl)c1 ZINC000850342392 637020319 /nfs/dbraw/zinc/02/03/19/637020319.db2.gz RBQLGNJBFCLJIP-SNVBAGLBSA-N 1 0 269.772 3.011 20 10 CGCDRO COC1CC(CC[NH2+]C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000850341378 637020448 /nfs/dbraw/zinc/02/04/48/637020448.db2.gz IPPAMACZAYPMAW-PLNGDYQASA-N 1 0 288.435 3.171 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+][C@H](C)CC(C)C)C2)cc1 ZINC000850346698 637022790 /nfs/dbraw/zinc/02/27/90/637022790.db2.gz XENQKGKIAAQMAD-CABCVRRESA-N 1 0 276.424 3.298 20 10 CGCDRO Cc1ccncc1CC[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000850355980 637025901 /nfs/dbraw/zinc/02/59/01/637025901.db2.gz PLPYXVKFKNOURP-SNAWJCMRSA-N 1 0 295.430 3.302 20 10 CGCDRO c1cc(N2CCCC2)ccc1C[NH2+][C@@H]1COC2(CCC2)C1 ZINC000850367460 637031501 /nfs/dbraw/zinc/03/15/01/637031501.db2.gz JVQSHJOEQMSQIS-INIZCTEOSA-N 1 0 286.419 3.088 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H]([C@H]3CCCO3)C2)cc1C ZINC000884483079 637040592 /nfs/dbraw/zinc/04/05/92/637040592.db2.gz NCYFWBMKODJSRO-WMLDXEAASA-N 1 0 275.392 3.010 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC[C@H]([S@@](C)=O)C2)c1 ZINC000850503286 637093273 /nfs/dbraw/zinc/09/32/73/637093273.db2.gz VYMSLOXTQFWBDR-PCRRDVQSSA-N 1 0 295.448 3.041 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCc2cnccc2C)c1 ZINC000850506719 637094038 /nfs/dbraw/zinc/09/40/38/637094038.db2.gz KQFHFGKZZVTSRO-CQSZACIVSA-N 1 0 270.376 3.297 20 10 CGCDRO C[C@H]([NH2+]CCO[C@@H]1CC1(F)F)c1cc(Cl)ccc1O ZINC000850520421 637099904 /nfs/dbraw/zinc/09/99/04/637099904.db2.gz BEAFWBIOAPBZHY-QPUJVOFHSA-N 1 0 291.725 3.120 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCO[C@@H]2CC2(F)F)c(O)c1 ZINC000850520906 637100079 /nfs/dbraw/zinc/10/00/79/637100079.db2.gz ITTKDOSWAMRUKU-WCQYABFASA-N 1 0 285.334 3.084 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCO[C@@H]2CC2(F)F)c(O)c1 ZINC000850520905 637100268 /nfs/dbraw/zinc/10/02/68/637100268.db2.gz ITTKDOSWAMRUKU-DGCLKSJQSA-N 1 0 285.334 3.084 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCO[C@H]2CC2(F)F)c(O)c1 ZINC000850520904 637100421 /nfs/dbraw/zinc/10/04/21/637100421.db2.gz ITTKDOSWAMRUKU-AAEUAGOBSA-N 1 0 285.334 3.084 20 10 CGCDRO CC[C@@H](O)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000850531982 637109364 /nfs/dbraw/zinc/10/93/64/637109364.db2.gz QBTDHQHQMVJPRC-DZGCQCFKSA-N 1 0 294.414 3.238 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCc3ccc(O)cc32)c1 ZINC000850543717 637115583 /nfs/dbraw/zinc/11/55/83/637115583.db2.gz ONHVHSXWGIYHFT-APPDUMDISA-N 1 0 299.370 3.445 20 10 CGCDRO C[C@H](CN1CCC(C)CC1)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000850543492 637116053 /nfs/dbraw/zinc/11/60/53/637116053.db2.gz KMNDNZVVCPKNPV-ZIAGYGMSSA-N 1 0 294.414 3.302 20 10 CGCDRO CCCN1CC[C@@H]([NH2+][C@@H](CC)c2ccc(N(C)C)cc2)C1 ZINC000850553690 637119071 /nfs/dbraw/zinc/11/90/71/637119071.db2.gz ATRGIWCWICTAGV-AEFFLSMTSA-N 1 0 289.467 3.278 20 10 CGCDRO CCCN1CC[C@H]([NH2+][C@@H](CC)c2ccc(C)cc2O)C1 ZINC000850557626 637121438 /nfs/dbraw/zinc/12/14/38/637121438.db2.gz XEECVIWAHSTBNR-HOCLYGCPSA-N 1 0 276.424 3.226 20 10 CGCDRO CCOc1cccc(C[NH2+]CC[C@H]2CC(C)(C)CO2)c1O ZINC000886306959 637492699 /nfs/dbraw/zinc/49/26/99/637492699.db2.gz FPTLHVSWMNILIZ-AWEZNQCLSA-N 1 0 293.407 3.086 20 10 CGCDRO COc1ccc(C[NH2+]CCc2ccccc2OC)cc1C ZINC000219569765 637534665 /nfs/dbraw/zinc/53/46/65/637534665.db2.gz FGOLBCJGXPMRFZ-UHFFFAOYSA-N 1 0 285.387 3.345 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1c([O-])cccc1F ZINC000886536355 637561250 /nfs/dbraw/zinc/56/12/50/637561250.db2.gz GHMSNMDZSHXDGM-RWMBFGLXSA-N 1 0 280.387 3.055 20 10 CGCDRO CC(C)c1ccc(N(C)C(=O)C=C2CC[NH2+]CC2)cc1 ZINC000852848419 637719077 /nfs/dbraw/zinc/71/90/77/637719077.db2.gz JPRBMFFFYUZGMH-UHFFFAOYSA-N 1 0 272.392 3.083 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccnn2CC)cc1 ZINC000853240611 637791305 /nfs/dbraw/zinc/79/13/05/637791305.db2.gz PHMZCLJZLLUALF-CQSZACIVSA-N 1 0 286.423 3.210 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H]3COC[C@H]3C2)cc1C(C)C ZINC000853585614 637870312 /nfs/dbraw/zinc/87/03/12/637870312.db2.gz HSFKYWRXAKVSOE-GOEBONIOSA-N 1 0 289.419 3.292 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2C[C@@H](C)O[C@](C)(C(F)F)C2)cc1C ZINC000853629837 637876384 /nfs/dbraw/zinc/87/63/84/637876384.db2.gz LSOCYTTUQIJMBQ-WBMJQRKESA-N 1 0 299.361 3.254 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCc2cc(N)ccc21)c1cc(F)ccc1O ZINC000854228009 638028820 /nfs/dbraw/zinc/02/88/20/638028820.db2.gz YMYYKFZDJLLONM-MGPLVRAMSA-N 1 0 286.350 3.452 20 10 CGCDRO Cc1noc(C)c1[C@H](C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000113957480 638307003 /nfs/dbraw/zinc/30/70/03/638307003.db2.gz YHOPEAFTRGVGDD-JTQLQIEISA-N 1 0 291.370 3.347 20 10 CGCDRO COc1ccc(O)c(C[NH2+]Cc2cc(C)cc(C)c2)c1 ZINC000114505622 638374724 /nfs/dbraw/zinc/37/47/24/638374724.db2.gz BOSNORODXASGOK-UHFFFAOYSA-N 1 0 271.360 3.307 20 10 CGCDRO C[C@H]([NH2+]CCCSc1nccs1)C1(Cl)CC1 ZINC000925100661 638452085 /nfs/dbraw/zinc/45/20/85/638452085.db2.gz DLMMCGIWIOOEBV-VIFPVBQESA-N 1 0 276.858 3.375 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000115629659 638569645 /nfs/dbraw/zinc/56/96/45/638569645.db2.gz ALLQRPBLNRDRTL-UHFFFAOYSA-N 1 0 297.446 3.417 20 10 CGCDRO C[C@H]([NH2+]CCC(C)(C)[NH3+])c1cccc(C(F)(F)F)c1[O-] ZINC000925739146 638591136 /nfs/dbraw/zinc/59/11/36/638591136.db2.gz UGALSYQANUVGFU-VIFPVBQESA-N 1 0 290.329 3.189 20 10 CGCDRO CSCCCC[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858140829 638640498 /nfs/dbraw/zinc/64/04/98/638640498.db2.gz IGSKUWYLOITRND-UHFFFAOYSA-N 1 0 288.407 3.264 20 10 CGCDRO C[C@@H](C[NH2+]Cc1cc(F)c(N(C)C)cc1F)CC(F)F ZINC000858182434 638650571 /nfs/dbraw/zinc/65/05/71/638650571.db2.gz SRENEQNKSXAKCL-SECBINFHSA-N 1 0 292.320 3.412 20 10 CGCDRO CC[C@H]1C[C@H]([NH2+]Cc2cc(F)c(N(C)C)cc2F)CCO1 ZINC000858180315 638651068 /nfs/dbraw/zinc/65/10/68/638651068.db2.gz QGTYWGCOUSACLY-OLZOCXBDSA-N 1 0 298.377 3.078 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1Cc2ccccc2CO1)c1ccccc1O ZINC000858452522 638723815 /nfs/dbraw/zinc/72/38/15/638723815.db2.gz FGOSBRFEBADDQM-BBRMVZONSA-N 1 0 283.371 3.184 20 10 CGCDRO C[C@H]1Cc2cc(C[NH2+][C@H]3CCc4cccc(O)c43)ccc2O1 ZINC000926921892 638826007 /nfs/dbraw/zinc/82/60/07/638826007.db2.gz WNGUQSAXZNMNAQ-LRDDRELGSA-N 1 0 295.382 3.493 20 10 CGCDRO CCC[C@H](O)CC[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000927018861 638832282 /nfs/dbraw/zinc/83/22/82/638832282.db2.gz PLPLXASIGLLIHD-GVXVVHGQSA-N 1 0 281.371 3.220 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@]2(C)CCCCO2)c(O)c1 ZINC000927017432 638832293 /nfs/dbraw/zinc/83/22/93/638832293.db2.gz IWPJEPFOVWQKNC-CZUORRHYSA-N 1 0 263.381 3.310 20 10 CGCDRO CC[C@H]([NH2+]CCNc1ccc(C)cn1)c1ccccc1O ZINC000927073422 638838497 /nfs/dbraw/zinc/83/84/97/638838497.db2.gz MFAGZJMOLKELAI-HNNXBMFYSA-N 1 0 285.391 3.248 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(C3CC3)n(C)n2)c1 ZINC000927108020 638842916 /nfs/dbraw/zinc/84/29/16/638842916.db2.gz JTSBSQMCEXFZCD-GFCCVEGCSA-N 1 0 285.391 3.162 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@]23C[C@H]2CCC3)c1 ZINC000927120030 638844838 /nfs/dbraw/zinc/84/48/38/638844838.db2.gz PKUVTJNBPLUMNA-HSMVNMDESA-N 1 0 261.365 3.242 20 10 CGCDRO CC[C@H]([NH2+][C@H]1c2ccccc2CC[C@H]1O)c1ccccc1O ZINC000927139558 638846706 /nfs/dbraw/zinc/84/67/06/638846706.db2.gz NHZYXNVMGLPEID-UHOSZYNNSA-N 1 0 297.398 3.481 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C2([C@H]3CCCCO3)CC2)c1 ZINC000927164078 638849113 /nfs/dbraw/zinc/84/91/13/638849113.db2.gz WXFYUQJEQIYIPL-BLLLJJGKSA-N 1 0 291.391 3.153 20 10 CGCDRO CCN(C)c1ccc(C[NH2+][C@@H](C)Cc2cccnc2)cc1 ZINC000934230205 639564052 /nfs/dbraw/zinc/56/40/52/639564052.db2.gz IVABYJDZJYULTD-HNNXBMFYSA-N 1 0 283.419 3.259 20 10 CGCDRO Cc1ccc(OC[C@H](C)[NH2+]Cc2ccccc2O)cc1 ZINC000040499365 639894042 /nfs/dbraw/zinc/89/40/42/639894042.db2.gz ZZOSRUMOOJLQRK-AWEZNQCLSA-N 1 0 271.360 3.258 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCN2CCCCCC2)c1 ZINC000040767760 639896491 /nfs/dbraw/zinc/89/64/91/639896491.db2.gz OBKJIRHOJQHEMI-OAHLLOKOSA-N 1 0 276.424 3.227 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cc3c(cc2O)OCO3)s1 ZINC000042880477 639922108 /nfs/dbraw/zinc/92/21/08/639922108.db2.gz REUMPAPVMLTWSM-SNVBAGLBSA-N 1 0 291.372 3.342 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CCCCOC)cc1 ZINC000044656491 639976642 /nfs/dbraw/zinc/97/66/42/639976642.db2.gz LFJDDQQZVDNEKQ-UHFFFAOYSA-N 1 0 264.413 3.049 20 10 CGCDRO COc1cc(O)c(C[N@H+](C2CC2)C2CCCC2)cc1OC ZINC000158861002 640021708 /nfs/dbraw/zinc/02/17/08/640021708.db2.gz LVROCUPDKZOKQF-UHFFFAOYSA-N 1 0 291.391 3.316 20 10 CGCDRO c1ccc(OCCC[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000048400287 640051935 /nfs/dbraw/zinc/05/19/35/640051935.db2.gz QXZUYLGVBYYQCW-UHFFFAOYSA-N 1 0 283.371 3.180 20 10 CGCDRO CCC1CC[NH+](Cc2cc(F)cc(C(C)=O)c2O)CC1 ZINC000048908349 640075951 /nfs/dbraw/zinc/07/59/51/640075951.db2.gz YBZITOSEPYSPAA-UHFFFAOYSA-N 1 0 279.355 3.356 20 10 CGCDRO COC[C@H](Cc1ccccc1)[N@H+](C)Cc1cc(C)ccc1O ZINC000187995055 640112679 /nfs/dbraw/zinc/11/26/79/640112679.db2.gz PNRSQGXRTYTSES-SFHVURJKSA-N 1 0 299.414 3.390 20 10 CGCDRO CCOC[C@@H]([NH2+]Cc1cc(C)c(C)cc1O)C(C)C ZINC000188866435 640152920 /nfs/dbraw/zinc/15/29/20/640152920.db2.gz XYJLQXOGGYPOAU-OAHLLOKOSA-N 1 0 265.397 3.160 20 10 CGCDRO Cc1cccc(C[C@H](CO)[NH2+]Cc2cc(C)c(C)cc2O)c1 ZINC000189018386 640162816 /nfs/dbraw/zinc/16/28/16/640162816.db2.gz HLSCVFCRBXVCBA-GOSISDBHSA-N 1 0 299.414 3.011 20 10 CGCDRO CCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)OC(C)(C)C ZINC000076074243 640173418 /nfs/dbraw/zinc/17/34/18/640173418.db2.gz ZENIXDDPHVIVBK-ZDUSSCGKSA-N 1 0 293.407 3.334 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCC(C)(C)O2)c1O ZINC000190254172 640236242 /nfs/dbraw/zinc/23/62/42/640236242.db2.gz OCNZCUCVLOVZBF-LBPRGKRZSA-N 1 0 299.798 3.101 20 10 CGCDRO COc1cc(C[N@@H+]2CCS[C@H](C)CC2)c(O)cc1C ZINC000191672261 640326676 /nfs/dbraw/zinc/32/66/76/640326676.db2.gz JJDYXXUTSAMHNZ-GFCCVEGCSA-N 1 0 281.421 3.037 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@H]2CC(C)(C)C[C@@H]2C)c1 ZINC000193135564 640435215 /nfs/dbraw/zinc/43/52/15/640435215.db2.gz LNILQBORKOGKQX-FZMZJTMJSA-N 1 0 263.381 3.315 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](CO)CC(C)C)cc1 ZINC000246963392 640702211 /nfs/dbraw/zinc/70/22/11/640702211.db2.gz ISIIHKZKLRQCSM-GDBMZVCRSA-N 1 0 278.440 3.200 20 10 CGCDRO C[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000092586216 640740916 /nfs/dbraw/zinc/74/09/16/640740916.db2.gz POFXACPLAMFAAU-MRXNPFEDSA-N 1 0 288.435 3.145 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCCC[C@H](N3CCCC3)C2)c1 ZINC000092785801 640746028 /nfs/dbraw/zinc/74/60/28/640746028.db2.gz IITHZLTYCOJQNI-KRWDZBQOSA-N 1 0 288.435 3.151 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2C[C@](C)(OC)C2(C)C)c1 ZINC000248519828 640765915 /nfs/dbraw/zinc/76/59/15/640765915.db2.gz QQJCUWYMDXOLFA-KCTSRDHCSA-N 1 0 293.407 3.255 20 10 CGCDRO Cc1nn(C)cc1C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000093319218 640768313 /nfs/dbraw/zinc/76/83/13/640768313.db2.gz JJLMZQSDYYDRQK-UHFFFAOYSA-N 1 0 299.418 3.379 20 10 CGCDRO Nc1ccc(Nc2ccc(OC3CC[NH2+]CC3)cc2)cc1 ZINC001159621819 806134900 /nfs/dbraw/zinc/13/49/00/806134900.db2.gz DMDKDNWBJONVGO-UHFFFAOYSA-N 1 0 283.375 3.143 20 10 CGCDRO [NH3+]CCc1cccc(Nc2ccc3c(c2)CCCN3)c1 ZINC001159672496 806146889 /nfs/dbraw/zinc/14/68/89/806146889.db2.gz WTENSHJERBGJEQ-UHFFFAOYSA-N 1 0 267.376 3.290 20 10 CGCDRO c1cc(N2CCCC2)ccc1C[N@@H+]1CCOC2(CCC2)C1 ZINC001254019635 806331226 /nfs/dbraw/zinc/33/12/26/806331226.db2.gz WGFZUVVDIYMHJO-UHFFFAOYSA-N 1 0 286.419 3.042 20 10 CGCDRO CN1CCCc2cc(C[NH2+]Cc3ccc(F)cc3)ccc21 ZINC000050266798 798895303 /nfs/dbraw/zinc/89/53/03/798895303.db2.gz HGYHAPQOBXMQTA-UHFFFAOYSA-N 1 0 284.378 3.498 20 10 CGCDRO COc1ccccc1C[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000124047074 798997048 /nfs/dbraw/zinc/99/70/48/798997048.db2.gz VVRVKMBGUCSNKV-OAHLLOKOSA-N 1 0 298.430 3.482 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000163369399 799082255 /nfs/dbraw/zinc/08/22/55/799082255.db2.gz LWICZXJQHKBDEI-SFHVURJKSA-N 1 0 289.467 3.059 20 10 CGCDRO Cc1ccc(O)c(C[N@H+](Cc2ccccc2)CC(C)(C)O)c1 ZINC000181145568 799112110 /nfs/dbraw/zinc/11/21/10/799112110.db2.gz DYHYWAPZBZLGOX-UHFFFAOYSA-N 1 0 299.414 3.474 20 10 CGCDRO Oc1ccccc1C[NH2+]Cc1cccc2cc[nH]c21 ZINC000218179209 799135863 /nfs/dbraw/zinc/13/58/63/799135863.db2.gz SERSIVNQOPDPGN-UHFFFAOYSA-N 1 0 252.317 3.163 20 10 CGCDRO COc1ccc(N2CC[NH+](CCC3CCCC3)CC2)cc1 ZINC000303878869 799208895 /nfs/dbraw/zinc/20/88/95/799208895.db2.gz ITIDCEAPYKUBSW-UHFFFAOYSA-N 1 0 288.435 3.398 20 10 CGCDRO CC(C)(O)C[N@H+](Cc1ccccc1)Cc1ccccc1O ZINC000305826074 799213282 /nfs/dbraw/zinc/21/32/82/799213282.db2.gz MRIPNRNCDDIQQB-UHFFFAOYSA-N 1 0 285.387 3.165 20 10 CGCDRO C[C@@H]([NH2+]CCc1cn[nH]c1)c1ccc2ccccc2c1O ZINC000379586382 799350847 /nfs/dbraw/zinc/35/08/47/799350847.db2.gz JIWCWWGDATUWEZ-GFCCVEGCSA-N 1 0 281.359 3.162 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+][C@@H]1CCC(F)(F)C1)CC2 ZINC000381034873 799370459 /nfs/dbraw/zinc/37/04/59/799370459.db2.gz UHDNNIZPSQRMDX-MNOVXSKESA-N 1 0 253.292 3.157 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCCN3C)[C@H]1C ZINC000385727149 799427396 /nfs/dbraw/zinc/42/73/96/799427396.db2.gz XXVOYMXSZRUUAA-DVOMOZLQSA-N 1 0 258.409 3.203 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+][C@H]1CC12CCCC2 ZINC000386864362 799441405 /nfs/dbraw/zinc/44/14/05/799441405.db2.gz CNGFBHRZJUTEHA-ZDUSSCGKSA-N 1 0 251.757 3.468 20 10 CGCDRO CO[C@@H]([C@@H](C)[NH2+][C@H](C)c1ccc(C)cc1O)C1CC1 ZINC000388281180 799452053 /nfs/dbraw/zinc/45/20/53/799452053.db2.gz MLBFZSVPYYULTQ-HSMVNMDESA-N 1 0 263.381 3.165 20 10 CGCDRO Cc1csc([C@H](C)[NH2+][C@H]2CCc3cccc(O)c32)n1 ZINC000389192474 799460783 /nfs/dbraw/zinc/46/07/83/799460783.db2.gz ORTLNUSFXHIZPX-JQWIXIFHSA-N 1 0 274.389 3.495 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C[C@H](C)CC(F)(F)F)c1 ZINC000396907238 799510977 /nfs/dbraw/zinc/51/09/77/799510977.db2.gz LGOOJUVDOAMYBA-SECBINFHSA-N 1 0 277.286 3.079 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]Cc2conc2C)cc1 ZINC000397854257 799521678 /nfs/dbraw/zinc/52/16/78/799521678.db2.gz ALVGHYHOUAEADW-UHFFFAOYSA-N 1 0 273.380 3.119 20 10 CGCDRO Cc1c2ccccc2n(C)c1C[NH2+]CCCOC(F)F ZINC000398306498 799529885 /nfs/dbraw/zinc/52/98/85/799529885.db2.gz MSFXPIKWWHCTNZ-UHFFFAOYSA-N 1 0 282.334 3.206 20 10 CGCDRO C[C@@]1([NH2+]Cc2ccc(N3CCOCC3)cc2)CC=CCC1 ZINC000398364261 799530088 /nfs/dbraw/zinc/53/00/88/799530088.db2.gz GUTNYZZGYZGRHB-GOSISDBHSA-N 1 0 286.419 3.112 20 10 CGCDRO CC[C@@H]1C[N@@H+](Cc2cccc(C)c2O)C[C@H](CC)O1 ZINC000398797946 799533088 /nfs/dbraw/zinc/53/30/88/799533088.db2.gz SHGCFODIJJJCRF-GASCZTMLSA-N 1 0 263.381 3.090 20 10 CGCDRO CC[C@H](C[NH2+]Cc1cccc(OC)c1O)CC(F)(F)F ZINC000402575042 799563108 /nfs/dbraw/zinc/56/31/08/799563108.db2.gz PIDOZVFPCQWUCT-JTQLQIEISA-N 1 0 291.313 3.469 20 10 CGCDRO CC[C@H]1COC(C)(C)C[N@@H+]1Cc1cc(C)ccc1O ZINC000403823566 799572550 /nfs/dbraw/zinc/57/25/50/799572550.db2.gz LZGKNWAIFQZQSH-AWEZNQCLSA-N 1 0 263.381 3.090 20 10 CGCDRO Cc1cc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)sn1 ZINC000404322128 799575833 /nfs/dbraw/zinc/57/58/33/799575833.db2.gz KADOXYPFSPTEJX-GFCCVEGCSA-N 1 0 275.421 3.368 20 10 CGCDRO CC[C@@H]([NH2+][C@H]1COC2(CCC2)C1)c1ccccc1O ZINC000688280976 799746355 /nfs/dbraw/zinc/74/63/55/799746355.db2.gz BFYWKDTZTVPQTB-TZMCWYRMSA-N 1 0 261.365 3.145 20 10 CGCDRO C[C@H]1CC[C@H]([NH2+]Cc2cc(Cl)ccc2O)CS1 ZINC000689641165 799767332 /nfs/dbraw/zinc/76/73/32/799767332.db2.gz JXJSWQIOGCYXLA-CABZTGNLSA-N 1 0 271.813 3.419 20 10 CGCDRO CC(C)(C)N1CC[C@@H]1C[NH2+]Cc1cc(Cl)ccc1O ZINC000690344505 799776190 /nfs/dbraw/zinc/77/61/90/799776190.db2.gz VZAGZINJNJMEPT-CYBMUJFWSA-N 1 0 282.815 3.008 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1CCN1C(C)(C)C)c1cc(F)ccc1O ZINC000690398182 799776260 /nfs/dbraw/zinc/77/62/60/799776260.db2.gz RWQAPLIJIFFTRF-YPMHNXCESA-N 1 0 280.387 3.055 20 10 CGCDRO CCc1cccc(C[NH2+]CC(C)(C)CCOC)c1O ZINC000691438184 799783685 /nfs/dbraw/zinc/78/36/85/799783685.db2.gz NMTSKWXFKZILAN-UHFFFAOYSA-N 1 0 265.397 3.107 20 10 CGCDRO CCc1cccc(C[NH2+]Cc2cccc(OC)c2)c1O ZINC000691500309 799785659 /nfs/dbraw/zinc/78/56/59/799785659.db2.gz OTQPHPRKMHWCFQ-UHFFFAOYSA-N 1 0 271.360 3.253 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H](C)c2ccccn2)c1O ZINC000691507892 799785723 /nfs/dbraw/zinc/78/57/23/799785723.db2.gz TXAROOXHOJXQEB-LBPRGKRZSA-N 1 0 256.349 3.200 20 10 CGCDRO CC[C@@H](C)[N@H+](C)Cc1ccc(Br)cc1O ZINC000691734005 799786346 /nfs/dbraw/zinc/78/63/46/799786346.db2.gz LZCWWXRGJWDXFS-SECBINFHSA-N 1 0 272.186 3.385 20 10 CGCDRO CCSC1(C[NH2+]Cc2ccc(N(C)C)cc2)CC1 ZINC000691788915 799786593 /nfs/dbraw/zinc/78/65/93/799786593.db2.gz ZBIODOYFOIQWDN-UHFFFAOYSA-N 1 0 264.438 3.128 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]C[C@H]1CCC2(CCCC2)O1 ZINC000691821019 799788286 /nfs/dbraw/zinc/78/82/86/799788286.db2.gz NYHANCFSQQNXPS-CQSZACIVSA-N 1 0 279.355 3.113 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CCCSCC1)c1ccccc1O ZINC000692498663 799795542 /nfs/dbraw/zinc/79/55/42/799795542.db2.gz DRGOPUHLQURRDB-NEPJUHHUSA-N 1 0 251.395 3.329 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1)c1ccccc1O ZINC000693889524 799817991 /nfs/dbraw/zinc/81/79/91/799817991.db2.gz NCHIQRVBDZMNSC-UKRRQHHQSA-N 1 0 276.424 3.306 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)c1ccc(N(C)C)cc1 ZINC000697966400 799851891 /nfs/dbraw/zinc/85/18/91/799851891.db2.gz OOIAPLLGOBPIOF-UGQVUOCMSA-N 1 0 258.409 3.449 20 10 CGCDRO C[C@@H]1CCC[C@H](C[NH2+]Cc2cc(Cl)ccc2O)O1 ZINC000701511399 799889190 /nfs/dbraw/zinc/88/91/90/799889190.db2.gz HIOYYOAZFVJSLM-ZWNOBZJWSA-N 1 0 269.772 3.093 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]CC[C@@H]1CC1(F)F)CC2 ZINC000701946642 799899024 /nfs/dbraw/zinc/89/90/24/799899024.db2.gz VTAXVERPDNOJOM-GHMZBOCLSA-N 1 0 253.292 3.014 20 10 CGCDRO CC[C@@H]([NH2+]CC[C@H]1CC1(F)F)c1ccccc1O ZINC000701945721 799900175 /nfs/dbraw/zinc/90/01/75/799900175.db2.gz TUGVURLMEOCLDJ-CMPLNLGQSA-N 1 0 255.308 3.478 20 10 CGCDRO COc1ccc(C[NH2+]CC[C@H]2CCSC2)cc1C ZINC000704789489 799940455 /nfs/dbraw/zinc/94/04/55/799940455.db2.gz GAUHNDOQFMHCQL-ZDUSSCGKSA-N 1 0 265.422 3.236 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC[C@@H]2CCSC2)c1 ZINC000704790553 799940579 /nfs/dbraw/zinc/94/05/79/799940579.db2.gz OMVCUHRIBZRIQI-CHWSQXEVSA-N 1 0 265.422 3.494 20 10 CGCDRO CC[C@@H](C)[NH2+]Cc1c(O)cccc1Br ZINC000706809775 799967808 /nfs/dbraw/zinc/96/78/08/799967808.db2.gz MYJLASXAYBQEHX-MRVPVSSYSA-N 1 0 258.159 3.043 20 10 CGCDRO CC(C)(C)[NH2+]Cc1c(O)cccc1Br ZINC000706809993 799967993 /nfs/dbraw/zinc/96/79/93/799967993.db2.gz WXBUYNYABRHRLA-UHFFFAOYSA-N 1 0 258.159 3.043 20 10 CGCDRO C[C@@H]([NH2+]Cc1c(O)cccc1Br)C1(C)CC1 ZINC000706857884 799969121 /nfs/dbraw/zinc/96/91/21/799969121.db2.gz LHMYYTRUXAVLEA-SECBINFHSA-N 1 0 284.197 3.433 20 10 CGCDRO CCC[C@H](C[NH2+][C@@H](C)c1cc(F)ccc1O)OCC ZINC000707842029 799979651 /nfs/dbraw/zinc/97/96/51/799979651.db2.gz UYMSXVKFKNDOEQ-WCQYABFASA-N 1 0 269.360 3.387 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(O)cc2O)CC(C)(C)C1 ZINC000708340881 799986817 /nfs/dbraw/zinc/98/68/17/799986817.db2.gz LAAUUKSALJJAHN-DGCLKSJQSA-N 1 0 263.381 3.402 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@@H]2CCC3(CCC3)O2)c1O ZINC000711430772 800059110 /nfs/dbraw/zinc/05/91/10/800059110.db2.gz HLRHRIZZCYNPGU-HNNXBMFYSA-N 1 0 275.392 3.146 20 10 CGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](CF)C2)c1O ZINC000711501228 800064909 /nfs/dbraw/zinc/06/49/09/800064909.db2.gz ZETDTIZOWYRTKW-SNVBAGLBSA-N 1 0 287.762 3.236 20 10 CGCDRO CCc1cccc(C[NH2+][C@H](C)c2ccns2)c1O ZINC000715920662 800152618 /nfs/dbraw/zinc/15/26/18/800152618.db2.gz MNQRAIWKSFKDPB-SNVBAGLBSA-N 1 0 262.378 3.262 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1CCC2(CCC2)CO1)c1ccccc1O ZINC000716605921 800176021 /nfs/dbraw/zinc/17/60/21/800176021.db2.gz JVVAHFSVTQNKJY-ZIAGYGMSSA-N 1 0 275.392 3.392 20 10 CGCDRO C[C@H]([NH2+]CC[C@@H]1CC(C)(C)CO1)c1ccccc1O ZINC000717333553 800200251 /nfs/dbraw/zinc/20/02/51/800200251.db2.gz WMODQVBOXPNCAY-QWHCGFSZSA-N 1 0 263.381 3.248 20 10 CGCDRO COc1cccc(C[NH2+]C2(C3CCC3)CCC2)c1O ZINC000717838497 800206276 /nfs/dbraw/zinc/20/62/76/800206276.db2.gz MNISFPPPJFPGST-UHFFFAOYSA-N 1 0 261.365 3.213 20 10 CGCDRO COCC(C)(C)CC[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000718795808 800223963 /nfs/dbraw/zinc/22/39/63/800223963.db2.gz SIITUMDOXGBLRS-NSHDSACASA-N 1 0 269.360 3.245 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)C(C)(C)OC)cc1 ZINC000720256867 800255025 /nfs/dbraw/zinc/25/50/25/800255025.db2.gz MWWJRHPCVGSWDW-AWEZNQCLSA-N 1 0 278.440 3.436 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(N[C@H](C)C[NH+](C)C)cc1 ZINC001163776779 806823980 /nfs/dbraw/zinc/82/39/80/806823980.db2.gz KQGJUJRHBYEMTB-CYBMUJFWSA-N 1 0 271.408 3.456 20 10 CGCDRO CNc1ccccc1NCc1cccnc1C1CC[NH2+]CC1 ZINC001163915401 806850187 /nfs/dbraw/zinc/85/01/87/806850187.db2.gz ZEMFIXBUUDMKLD-UHFFFAOYSA-N 1 0 296.418 3.202 20 10 CGCDRO Cc1cc(O)c(Nc2cc[nH+]cc2)cc1Br ZINC001173884777 808739725 /nfs/dbraw/zinc/73/97/25/808739725.db2.gz QUGILRMTAZKZOY-UHFFFAOYSA-N 1 0 279.137 3.024 20 10 CGCDRO Oc1cccc(Cl)c1C[NH+]1CC2(C1)CCCC2 ZINC001117814122 802502847 /nfs/dbraw/zinc/50/28/47/802502847.db2.gz VFDPLZHYIDRLHO-UHFFFAOYSA-N 1 0 251.757 3.422 20 10 CGCDRO CC[C@@H]([NH2+]CCCC[NH3+])c1cc(Cl)cc(Cl)c1[O-] ZINC001118121206 802527331 /nfs/dbraw/zinc/52/73/31/802527331.db2.gz BOVRERVUHGOGOW-GFCCVEGCSA-N 1 0 291.222 3.479 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@H+]2CC[C@@H](C)O[C@@H](C)C2)c1 ZINC001118531350 802580263 /nfs/dbraw/zinc/58/02/63/802580263.db2.gz DEBIGRHMYYDBNM-KGLIPLIRSA-N 1 0 263.381 3.008 20 10 CGCDRO Nc1ccc(C[N@@H+]2CC[C@H](Cc3ccc(F)cc3)C2)cc1 ZINC001120371429 802742197 /nfs/dbraw/zinc/74/21/97/802742197.db2.gz YMYRODZBFWEKML-MRXNPFEDSA-N 1 0 284.378 3.473 20 10 CGCDRO CCC1(CC)C[N@H+](Cc2ccc(N)cc2)CCS1 ZINC001120371335 802742895 /nfs/dbraw/zinc/74/28/95/802742895.db2.gz VXIGHUGQBZXIGN-UHFFFAOYSA-N 1 0 264.438 3.376 20 10 CGCDRO CCOc1cccc(C[N@H+](CC2CC2)C2CC2)c1O ZINC001203615223 812406696 /nfs/dbraw/zinc/40/66/96/812406696.db2.gz NMIJKYGQQZVBHS-UHFFFAOYSA-N 1 0 261.365 3.165 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CCC[C@H](CSC)C2)c(O)c1 ZINC001205998658 813159172 /nfs/dbraw/zinc/15/91/72/813159172.db2.gz ORNBDTZRLMJWLM-ZDUSSCGKSA-N 1 0 295.448 3.284 20 10 CGCDRO CC[N@H+](Cc1ccc2[nH]cnc2c1)Cc1ccccc1O ZINC001137047681 803674219 /nfs/dbraw/zinc/67/42/19/803674219.db2.gz GAUBBAJGLCAYOM-UHFFFAOYSA-N 1 0 281.359 3.291 20 10 CGCDRO Oc1cccc2c1C[N@H+](Cc1cccc3cccnc31)CC2 ZINC001137177879 803694403 /nfs/dbraw/zinc/69/44/03/803694403.db2.gz CTRAECAMHNETJE-UHFFFAOYSA-N 1 0 290.366 3.499 20 10 CGCDRO Cc1cc(C[N@@H+]2CCCC23COC3)c(C)n1-c1ccccc1 ZINC001137857694 803785947 /nfs/dbraw/zinc/78/59/47/803785947.db2.gz KUKZHHBPBINBSE-UHFFFAOYSA-N 1 0 296.414 3.459 20 10 CGCDRO Fc1ccc2cc(-c3ccc(N4CC[NH2+]CC4)cc3)[nH]c2c1 ZINC001245589776 803836643 /nfs/dbraw/zinc/83/66/43/803836643.db2.gz ZNIOJWXXLPKJEH-UHFFFAOYSA-N 1 0 295.361 3.384 20 10 CGCDRO Cc1c(C[N@@H+]2CCCC(=O)[C@@H](C)C2)c2ccccc2n1C ZINC001138252963 803882003 /nfs/dbraw/zinc/88/20/03/803882003.db2.gz YGHOKTRYTPKUJZ-ZDUSSCGKSA-N 1 0 284.403 3.288 20 10 CGCDRO Cc1c(CN(C)CCC[NH+]2CCCC2)c2ccccc2n1C ZINC001138257043 803882255 /nfs/dbraw/zinc/88/22/55/803882255.db2.gz UARZJZVUXCCVDK-UHFFFAOYSA-N 1 0 299.462 3.404 20 10 CGCDRO Cc1c(CN2CC[C@@H]([N@@H+](C)C(C)C)C2)c2ccccc2n1C ZINC001138259741 803883517 /nfs/dbraw/zinc/88/35/17/803883517.db2.gz NDWDQUWHYMQHKF-MRXNPFEDSA-N 1 0 299.462 3.401 20 10 CGCDRO CCC[N@H+](CC)Cc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001139126214 804134449 /nfs/dbraw/zinc/13/44/49/804134449.db2.gz AQCYBOXQFZNLSU-UHFFFAOYSA-N 1 0 275.348 3.039 20 10 CGCDRO Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+](C)CC1CCC1 ZINC001139128916 804134531 /nfs/dbraw/zinc/13/45/31/804134531.db2.gz JAOJMCZIHUBQNT-UHFFFAOYSA-N 1 0 287.359 3.039 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)Cc2cccc(Cl)n2)cc1 ZINC001139552153 804205040 /nfs/dbraw/zinc/20/50/40/804205040.db2.gz HJHYTMBSYHVGBY-UHFFFAOYSA-N 1 0 289.810 3.433 20 10 CGCDRO Cc1ccc(C)c(C[NH+]2CC3(C2)CC(F)(F)CS3)c1O ZINC001140184025 804396104 /nfs/dbraw/zinc/39/61/04/804396104.db2.gz KGIFLEYTBIDJFC-UHFFFAOYSA-N 1 0 299.386 3.336 20 10 CGCDRO Cc1ccnn1C1CC[NH+](Cc2c(C)ccc(C)c2O)CC1 ZINC001140185169 804399109 /nfs/dbraw/zinc/39/91/09/804399109.db2.gz QSATVULFJOCWAU-UHFFFAOYSA-N 1 0 299.418 3.351 20 10 CGCDRO Oc1cc(Cl)ccc1C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC001140463114 804441284 /nfs/dbraw/zinc/44/12/84/804441284.db2.gz SRPDOYOUKFRMAN-HNNXBMFYSA-N 1 0 281.783 3.048 20 10 CGCDRO COC[C@@]12CCC[C@@H]1C[N@H+](Cc1ccc(Cl)cc1O)C2 ZINC001140467866 804443520 /nfs/dbraw/zinc/44/35/20/804443520.db2.gz XSKJAYRSAJWJQZ-CJNGLKHVSA-N 1 0 295.810 3.294 20 10 CGCDRO C[C@H]1C[N@H+](Cc2c([O-])cc(F)cc2F)C2(CC2)C1 ZINC001140584626 804468207 /nfs/dbraw/zinc/46/82/07/804468207.db2.gz ZQHPPLRNQUBCJU-SECBINFHSA-N 1 0 253.292 3.045 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCC(=O)[C@@H]3CCCC[C@H]32)c1 ZINC001140617494 804476453 /nfs/dbraw/zinc/47/64/53/804476453.db2.gz REFQFNHRXYKFIM-HUUCEWRRSA-N 1 0 273.376 3.034 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H](F)C(F)(F)CC2)c1 ZINC001140617332 804476834 /nfs/dbraw/zinc/47/68/34/804476834.db2.gz NMILHLLKIANWPR-ZDUSSCGKSA-N 1 0 273.298 3.270 20 10 CGCDRO Cc1ccc(O)c(C[N@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)c1 ZINC001140619540 804477083 /nfs/dbraw/zinc/47/70/83/804477083.db2.gz GWCCKVPQJYDXME-BETUJISGSA-N 1 0 267.319 3.178 20 10 CGCDRO Cc1c(O)ccc(C[N@H+](C)Cc2cccs2)c1O ZINC001140745752 804503187 /nfs/dbraw/zinc/50/31/87/804503187.db2.gz NCPHZIKLZQDLGY-UHFFFAOYSA-N 1 0 263.362 3.100 20 10 CGCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@@H](Oc3ccccc3)C2)c1O ZINC001140745965 804503231 /nfs/dbraw/zinc/50/32/31/804503231.db2.gz QVAPELWZOFBWOA-MRXNPFEDSA-N 1 0 299.370 3.060 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)CC2CCOCC2)c(Cl)c1 ZINC001140921693 804548529 /nfs/dbraw/zinc/54/85/29/804548529.db2.gz NGEINDHFESOEDH-UHFFFAOYSA-N 1 0 296.842 3.264 20 10 CGCDRO C[C@H]1CN(Cc2ccc(N(C)C)cc2Cl)CCCC1=O ZINC001140921556 804549318 /nfs/dbraw/zinc/54/93/18/804549318.db2.gz HWWDRMHFKJJNJQ-LBPRGKRZSA-N 1 0 294.826 3.207 20 10 CGCDRO Cc1ccc(C[N@H+]2C[C@H]3c4ccccc4C(=O)[C@H]3C2)c(O)c1 ZINC001140947713 804556007 /nfs/dbraw/zinc/55/60/07/804556007.db2.gz CACAVOIHNVYKAA-IRXDYDNUSA-N 1 0 293.366 3.113 20 10 CGCDRO CC[N@H+](Cc1c[nH]nc1C(F)(F)F)Cc1ccccc1O ZINC001141016561 804571987 /nfs/dbraw/zinc/57/19/87/804571987.db2.gz IHGFCYAPWBJVLV-UHFFFAOYSA-N 1 0 299.296 3.156 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](C)C[C@H]2C)c(OC)c1 ZINC001141028066 804572484 /nfs/dbraw/zinc/57/24/84/804572484.db2.gz AACJKJZHJPCNIQ-NWDGAFQWSA-N 1 0 279.380 3.030 20 10 CGCDRO COc1cc(O)c(C[NH+]2CCCCCCC2)c(OC)c1 ZINC001141028657 804575502 /nfs/dbraw/zinc/57/55/02/804575502.db2.gz YXECKPQVPCRTKV-UHFFFAOYSA-N 1 0 279.380 3.176 20 10 CGCDRO FC1CC[NH+](Cc2cc3c4c(c2)CCCN4CCC3)CC1 ZINC001141074220 804585176 /nfs/dbraw/zinc/58/51/76/804585176.db2.gz BQAKNKALWQXPBC-UHFFFAOYSA-N 1 0 288.410 3.319 20 10 CGCDRO c1c(C[N@@H+]2CCC[C@@H]3C[C@@H]32)cc2c3c1CCCN3CCC2 ZINC001141078062 804585708 /nfs/dbraw/zinc/58/57/08/804585708.db2.gz JHRWOXMOLSJOFI-QAPCUYQASA-N 1 0 282.431 3.370 20 10 CGCDRO Cc1ccc(CC[N@@H+](C)Cc2cc(O)ccc2O)cc1 ZINC001141159201 804600627 /nfs/dbraw/zinc/60/06/27/804600627.db2.gz BYGWSRBQHFQPGO-UHFFFAOYSA-N 1 0 271.360 3.081 20 10 CGCDRO C[C@H]1CC[N@H+](Cc2cccc(C(C)(C)C)c2O)CC[C@@H]1O ZINC001143103389 804802000 /nfs/dbraw/zinc/80/20/00/804802000.db2.gz BSQRAHGWGDFDSR-BBRMVZONSA-N 1 0 291.435 3.283 20 10 CGCDRO CC(C)(C)c1cccc(C[N@H+]2CCC[C@@H]2C(C)(C)O)c1O ZINC001143111669 804804217 /nfs/dbraw/zinc/80/42/17/804804217.db2.gz DYLIAXWBXVMCPU-OAHLLOKOSA-N 1 0 291.435 3.425 20 10 CGCDRO CCC[C@@H](C)[NH+]1CCN(c2ccc(OC)cc2C)CC1 ZINC001257327116 807109756 /nfs/dbraw/zinc/10/97/56/807109756.db2.gz HLXKIMOBNFCNTF-OAHLLOKOSA-N 1 0 276.424 3.314 20 10 CGCDRO C[N@@H+](Cc1ccccc1O)C[C@H]1CCCC12CCOCC2 ZINC001167735197 807236648 /nfs/dbraw/zinc/23/66/48/807236648.db2.gz UZKOMLXMURLJED-MRXNPFEDSA-N 1 0 289.419 3.421 20 10 CGCDRO COc1ccc2c(c1)c1c(n2C)CC[N@H+]([C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC001167940767 807278339 /nfs/dbraw/zinc/27/83/39/807278339.db2.gz SFQLIYLODVJZCX-BTTYYORXSA-N 1 0 296.414 3.344 20 10 CGCDRO CC(C)C[C@H](C)C[C@@H](C)[NH2+]CCc1cc(O)c(O)cc1O ZINC001258057141 807280318 /nfs/dbraw/zinc/28/03/18/807280318.db2.gz RVAQJUCQCGMKAP-QWHCGFSZSA-N 1 0 295.423 3.396 20 10 CGCDRO CC1(C)CCC[C@H]([NH2+]CCc2ccc(O)c(O)c2)C1 ZINC001258276258 807388631 /nfs/dbraw/zinc/38/86/31/807388631.db2.gz DQMUCWAZCGQFBI-ZDUSSCGKSA-N 1 0 263.381 3.199 20 10 CGCDRO Oc1cccc(C[NH2+][C@H]2Cc3cccc(Cl)c3C2)c1O ZINC001168703654 807490860 /nfs/dbraw/zinc/49/08/60/807490860.db2.gz ISLISLVRHWOQKP-LBPRGKRZSA-N 1 0 289.762 3.008 20 10 CGCDRO CC[C@H](C)C[C@H](CC)[NH2+]Cc1ccc(O)c(O)c1 ZINC001258782321 807609425 /nfs/dbraw/zinc/60/94/25/807609425.db2.gz OAGGKBPJDVSPGS-AAEUAGOBSA-N 1 0 251.370 3.402 20 10 CGCDRO Oc1ccc(CNc2cc(N3CCCCC3)cc[nH+]2)cc1O ZINC001169991010 807734161 /nfs/dbraw/zinc/73/41/61/807734161.db2.gz VJJAAMWDBGUPMN-UHFFFAOYSA-N 1 0 299.374 3.095 20 10 CGCDRO [NH3+]C1(c2ccc(NCc3ccc(O)c(O)c3)cc2)CCC1 ZINC001169995157 807736621 /nfs/dbraw/zinc/73/66/21/807736621.db2.gz QTIMQFOLLNMURT-UHFFFAOYSA-N 1 0 284.359 3.048 20 10 CGCDRO C[C@@H]1CC[C@@H]([NH2+]C2CCN(Cc3ccccc3O)CC2)C1 ZINC001170113556 807761695 /nfs/dbraw/zinc/76/16/95/807761695.db2.gz RFMZIGVCAQWPRO-RHSMWYFYSA-N 1 0 288.435 3.135 20 10 CGCDRO Oc1ccccc1C[NH2+][C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171448191 808060489 /nfs/dbraw/zinc/06/04/89/808060489.db2.gz JVQCFICCVDQONH-CQSZACIVSA-N 1 0 289.325 3.318 20 10 CGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)[C@H]1COC(C)(C)C1 ZINC001172294271 808218825 /nfs/dbraw/zinc/21/88/25/808218825.db2.gz XGNUHQIZMAEMNQ-MRXNPFEDSA-N 1 0 276.424 3.142 20 10 CGCDRO CC[C@H](C)OCC[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC001172345330 808244376 /nfs/dbraw/zinc/24/43/76/808244376.db2.gz WOKSCQMNWJUECR-GJZGRUSLSA-N 1 0 278.440 3.436 20 10 CGCDRO CC[C@@H](CC(C)C)[NH2+]CCc1ccc(O)c(O)c1 ZINC001172390355 808281202 /nfs/dbraw/zinc/28/12/02/808281202.db2.gz UPRZKYHLKOGEJL-ZDUSSCGKSA-N 1 0 251.370 3.055 20 10 CGCDRO CC[N@H+](Cc1ccccc1O)[C@@H](C)CCCCC(=O)OC ZINC001173459850 808641431 /nfs/dbraw/zinc/64/14/31/808641431.db2.gz GAOAHKOIDXOGOJ-AWEZNQCLSA-N 1 0 293.407 3.336 20 10 CGCDRO CCOC(=O)C[C@H]1CC[C@H]([NH2+][C@H](C)c2ccccc2O)C1 ZINC001173636894 808657098 /nfs/dbraw/zinc/65/70/98/808657098.db2.gz PKKXQULJVXOVQU-RDBSUJKOSA-N 1 0 291.391 3.165 20 10 CGCDRO C[N@@H+]1CCC=C(Nc2ccccc2Cc2ccc(N)cc2)C1 ZINC001175580690 809461921 /nfs/dbraw/zinc/46/19/21/809461921.db2.gz QBSWPDOBWWIGMQ-UHFFFAOYSA-N 1 0 293.414 3.491 20 10 CGCDRO Nc1ccc(Cc2ccc(Nc3[nH]cc[nH+]3)cc2)cc1 ZINC001176084061 809618578 /nfs/dbraw/zinc/61/85/78/809618578.db2.gz HNPIDVAWMLGQSP-UHFFFAOYSA-N 1 0 264.332 3.326 20 10 CGCDRO CCC1(CC)[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C[C@@H]1OC ZINC001178284767 809857340 /nfs/dbraw/zinc/85/73/40/809857340.db2.gz ALEZWRRIHUPVKL-SJORKVTESA-N 1 0 289.419 3.305 20 10 CGCDRO c1cc2c(cc1C[NH2+]CCOCC1CCCC1)CCCO2 ZINC001178873679 809892231 /nfs/dbraw/zinc/89/22/31/809892231.db2.gz XSMDGRBXPDGGKQ-UHFFFAOYSA-N 1 0 289.419 3.308 20 10 CGCDRO CCCOc1ccc(C[NH2+]CC[C@H](O)CCC)cc1C ZINC001179701480 809938540 /nfs/dbraw/zinc/93/85/40/809938540.db2.gz SWXPXNDLNSXMCR-MRXNPFEDSA-N 1 0 279.424 3.425 20 10 CGCDRO OCCCC1CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001180310221 809991277 /nfs/dbraw/zinc/99/12/77/809991277.db2.gz APBCQQPXYZBQGH-UHFFFAOYSA-N 1 0 283.799 3.030 20 10 CGCDRO OC[C@@H](C[NH2+]Cc1ccc(Cl)cc1O)C1CCCCC1 ZINC001182073096 810092774 /nfs/dbraw/zinc/09/27/74/810092774.db2.gz XCBJLRSTGBUREG-CQSZACIVSA-N 1 0 297.826 3.324 20 10 CGCDRO COC1([C@@H](C)[NH2+]Cc2ccc(Cl)cc2O)CCC1 ZINC001182399063 810108380 /nfs/dbraw/zinc/10/83/80/810108380.db2.gz XSTANCBPTPHHGC-SNVBAGLBSA-N 1 0 269.772 3.093 20 10 CGCDRO Cc1ccc(C[NH+]2CCC(F)(C3CC3)CC2)c(O)c1 ZINC001184124370 810178100 /nfs/dbraw/zinc/17/81/00/810178100.db2.gz JMKYENPAZWXJKG-UHFFFAOYSA-N 1 0 263.356 3.415 20 10 CGCDRO COc1ccc(N2CC[NH+](CC3CCCC3)CC2)c(C)c1 ZINC001202190038 812034778 /nfs/dbraw/zinc/03/47/78/812034778.db2.gz JVWFJWUQUDAWAP-UHFFFAOYSA-N 1 0 288.435 3.316 20 10 CGCDRO C[C@@H]1CCC[C@@H](C[NH2+]Cc2ccc3c(c2)CCCO3)O1 ZINC001203162325 812257551 /nfs/dbraw/zinc/25/75/51/812257551.db2.gz ZFAWQMYEXZAHKQ-CJNGLKHVSA-N 1 0 275.392 3.059 20 10 CGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H]1CCCn2nccc21 ZINC001203457876 812368236 /nfs/dbraw/zinc/36/82/36/812368236.db2.gz RFJQNCBGWNXIKI-HNNXBMFYSA-N 1 0 294.402 3.308 20 10 CGCDRO Oc1ccc(Br)cc1C[N@@H+]1CCC2(CC2)C1 ZINC001203636374 812412534 /nfs/dbraw/zinc/41/25/34/812412534.db2.gz VRLMJYLUDDTJJO-UHFFFAOYSA-N 1 0 282.181 3.141 20 10 CGCDRO C[C@H]1C[N@H+](Cc2cc(Cl)ccc2O)CCC[C@@]1(C)O ZINC001203650842 812414789 /nfs/dbraw/zinc/41/47/89/812414789.db2.gz FIHJXGXSJFROIO-XHDPSFHLSA-N 1 0 283.799 3.029 20 10 CGCDRO Oc1cccc(Nc2ccc(C[NH+]3CCCC3)cc2)c1O ZINC001203807199 812466752 /nfs/dbraw/zinc/46/67/52/812466752.db2.gz MKQQMKUAOHDBMM-UHFFFAOYSA-N 1 0 284.359 3.437 20 10 CGCDRO Oc1ccc(C[N@@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)cc1O ZINC001203878743 812477919 /nfs/dbraw/zinc/47/79/19/812477919.db2.gz BDEURLXUKMNGNB-OKILXGFUSA-N 1 0 281.355 3.185 20 10 CGCDRO C[N@H+](CC/C=C/c1cccnc1)Cc1ccc(O)c(O)c1 ZINC001203879108 812478504 /nfs/dbraw/zinc/47/85/04/812478504.db2.gz FKQQOZNSTFETRB-GORDUTHDSA-N 1 0 284.359 3.028 20 10 CGCDRO C[C@H]1C[N@H+](Cc2ccc(O)c(O)c2)Cc2ccccc21 ZINC001203875150 812478849 /nfs/dbraw/zinc/47/88/49/812478849.db2.gz IWZLBWTUVUMZLU-LBPRGKRZSA-N 1 0 269.344 3.217 20 10 CGCDRO C[N@H+](Cc1ccc(O)c(O)c1)C12CC3CC(CC(C3)C1)C2 ZINC001203878090 812478874 /nfs/dbraw/zinc/47/88/74/812478874.db2.gz BCGAISYWEMLNLA-UHFFFAOYSA-N 1 0 287.403 3.498 20 10 CGCDRO Oc1ccc(C[NH+]2CCC3(CCCC3)CC2)cc1O ZINC001203875910 812479023 /nfs/dbraw/zinc/47/90/23/812479023.db2.gz YSZBLGKIUUAGCJ-UHFFFAOYSA-N 1 0 261.365 3.254 20 10 CGCDRO Oc1ccc(C[N@@H+]2CCCc3ccccc3C2)cc1O ZINC001203882189 812479480 /nfs/dbraw/zinc/47/94/80/812479480.db2.gz GARUHSWCHWUUCD-UHFFFAOYSA-N 1 0 269.344 3.046 20 10 CGCDRO Oc1ccc(C[N@@H+]2CCC3(C2)CCCCC3)cc1O ZINC001203884564 812480098 /nfs/dbraw/zinc/48/00/98/812480098.db2.gz VBNMZDSIJXGCSU-UHFFFAOYSA-N 1 0 261.365 3.254 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCc3cccc(O)c3C2)c1 ZINC001203892460 812483260 /nfs/dbraw/zinc/48/32/60/812483260.db2.gz MUTNLORELZGEKW-UHFFFAOYSA-N 1 0 253.345 3.259 20 10 CGCDRO CCN(CC)c1ccc(C[NH+]2CC3CC(C3)C2)cc1 ZINC001203945199 812499177 /nfs/dbraw/zinc/49/91/77/812499177.db2.gz JIBVZRVAQZMTMM-UHFFFAOYSA-N 1 0 258.409 3.375 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@](C)(CO)C2)c2ccccc21 ZINC001204233645 812579922 /nfs/dbraw/zinc/57/99/22/812579922.db2.gz UDAOTWGVCPDPHQ-IBGZPJMESA-N 1 0 298.430 3.110 20 10 CGCDRO C[C@@H]1C[C@H](O)CC[N@@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001204241813 812582994 /nfs/dbraw/zinc/58/29/94/812582994.db2.gz JAFRXSHWJXSZHN-GDBMZVCRSA-N 1 0 298.430 3.251 20 10 CGCDRO CC[N@H+](Cc1ccc(OC)cc1)Cc1ccc(O)cc1O ZINC001204281141 812596764 /nfs/dbraw/zinc/59/67/64/812596764.db2.gz RKCMBYCQNYZYTI-UHFFFAOYSA-N 1 0 287.359 3.129 20 10 CGCDRO CO[C@H]1CCC[N@H+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204320792 812611980 /nfs/dbraw/zinc/61/19/80/812611980.db2.gz AQSRXRHTXSXHIZ-SFHVURJKSA-N 1 0 288.435 3.288 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(CN2C[C@@H]([NH3+])C3(CC3)C2)cc1 ZINC001204904508 812770980 /nfs/dbraw/zinc/77/09/80/812770980.db2.gz ROBYPQIZTWDKQS-GOSISDBHSA-N 1 0 295.430 3.017 20 10 CGCDRO CO[C@@H]([C@H](C)[NH2+]Cc1cc(C(C)C)ccc1O)C1CC1 ZINC001205811404 813090354 /nfs/dbraw/zinc/09/03/54/813090354.db2.gz CICRXNUPTSDKTC-SJCJKPOMSA-N 1 0 277.408 3.419 20 10 CGCDRO CCC[C@H](C[NH2+]Cc1cc(C(C)C)ccc1O)OC ZINC001205959431 813146144 /nfs/dbraw/zinc/14/61/44/813146144.db2.gz DWZZEUUACJMDNC-OAHLLOKOSA-N 1 0 265.397 3.420 20 10 CGCDRO CCn1ccc(C[NH2+]Cc2ccc3ccccc3c2O)n1 ZINC001206292011 813275666 /nfs/dbraw/zinc/27/56/66/813275666.db2.gz FBSCRVKBAMGWGC-UHFFFAOYSA-N 1 0 281.359 3.052 20 10 CGCDRO Cc1ccc(C[N@H+]2CC[C@@H](OCCC(C)C)C2)c(O)c1 ZINC001206827726 813446359 /nfs/dbraw/zinc/44/63/59/813446359.db2.gz QRECAXVZRMFZCA-MRXNPFEDSA-N 1 0 277.408 3.338 20 10 CGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(F)cn1 ZINC001207044398 813473484 /nfs/dbraw/zinc/47/34/84/813473484.db2.gz WBSCIMNWQDSXHL-UHFFFAOYSA-N 1 0 287.382 3.309 20 10 CGCDRO CC[N@H+](CC[C@@H](C)SC)Cc1ccccc1O ZINC001208152415 813710638 /nfs/dbraw/zinc/71/06/38/813710638.db2.gz HFDKONDQRBWPNP-GFCCVEGCSA-N 1 0 253.411 3.356 20 10 CGCDRO Oc1ccc2ccccc2c1CN1C[C@@H](F)C[C@H]1CF ZINC001231588371 818128829 /nfs/dbraw/zinc/12/88/29/818128829.db2.gz PXLSENSBKUGQCK-STQMWFEESA-N 1 0 277.314 3.427 20 10 CGCDRO Oc1ccc2ccccc2c1C[NH+]1CCC2(COC2)CC1 ZINC001231587394 818129399 /nfs/dbraw/zinc/12/93/99/818129399.db2.gz AXYCEVWINUOFIT-UHFFFAOYSA-N 1 0 283.371 3.158 20 10 CGCDRO CC(C)N(C)[C@@H]1CC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC001231589303 818129639 /nfs/dbraw/zinc/12/96/39/818129639.db2.gz GAHDBZIGJJWIKX-MRXNPFEDSA-N 1 0 298.430 3.460 20 10 CGCDRO CC[N@H+](CCN1CCCC1)Cc1c(O)ccc2ccccc21 ZINC001231590170 818130061 /nfs/dbraw/zinc/13/00/61/818130061.db2.gz OIXKTGUSNDBRAJ-UHFFFAOYSA-N 1 0 298.430 3.463 20 10 CGCDRO Cc1cccc(C[N@H+]2C[C@H]3[C@H](CCC3(F)F)C2)c1O ZINC001231591411 818131282 /nfs/dbraw/zinc/13/12/82/818131282.db2.gz CGSFGRUKKOHUDD-YPMHNXCESA-N 1 0 267.319 3.178 20 10 CGCDRO Cc1cccc(C[NH+]2CCC(Oc3ccncc3)CC2)c1O ZINC001231592676 818131654 /nfs/dbraw/zinc/13/16/54/818131654.db2.gz TZIXTHMRXPYFKR-UHFFFAOYSA-N 1 0 298.386 3.139 20 10 CGCDRO Cc1cccc(C[NH+]2CCC3(CCOC3(C)C)CC2)c1O ZINC001231595355 818133573 /nfs/dbraw/zinc/13/35/73/818133573.db2.gz XVFPUPQYTAABQY-UHFFFAOYSA-N 1 0 289.419 3.482 20 10 CGCDRO CC[N@H+](Cc1cccs1)Cc1cc(OC)c(O)cc1O ZINC001231638889 818143845 /nfs/dbraw/zinc/14/38/45/818143845.db2.gz IIJTXVRGCRHIGA-UHFFFAOYSA-N 1 0 293.388 3.190 20 10 CGCDRO Cc1cc(C)c(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)c(O)c1 ZINC001231841465 818186324 /nfs/dbraw/zinc/18/63/24/818186324.db2.gz BDBPRYUFECLRQR-WMLDXEAASA-N 1 0 275.392 3.010 20 10 CGCDRO Cc1cc(C)c(C[N@@H+]2CC[C@H](N3CCCCC3)C2)c(O)c1 ZINC001231845747 818187299 /nfs/dbraw/zinc/18/72/99/818187299.db2.gz RPZYUAMSKGREQW-INIZCTEOSA-N 1 0 288.435 3.069 20 10 CGCDRO Cc1cc(C)c(C[N@@H+]2CC[C@]3(CC3(F)F)C2)c(O)c1 ZINC001231846546 818187453 /nfs/dbraw/zinc/18/74/53/818187453.db2.gz NXSUNCZQRIOTIR-AWEZNQCLSA-N 1 0 267.319 3.240 20 10 CGCDRO Cc1noc([C@@H]2CCC[N@@H+]2Cc2c(C)cc(C)cc2O)n1 ZINC001231849119 818189150 /nfs/dbraw/zinc/18/91/50/818189150.db2.gz NFFIAUQKXCBZGN-AWEZNQCLSA-N 1 0 287.363 3.038 20 10 CGCDRO C[C@]1(O)CCCC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC001231879530 818198840 /nfs/dbraw/zinc/19/88/40/818198840.db2.gz HDUQNBHCCZLJRF-SFHVURJKSA-N 1 0 285.387 3.282 20 10 CGCDRO C[C@@H]1CC[C@@H](CO)C[N@@H+]1Cc1ccc2ccccc2c1O ZINC001231879237 818199615 /nfs/dbraw/zinc/19/96/15/818199615.db2.gz AYEWPZQJWMSPBO-ZIAGYGMSSA-N 1 0 285.387 3.138 20 10 CGCDRO O=C1CC[N@H+](Cc2ccc3ccccc3c2O)CC[C@H]1F ZINC001231879497 818200465 /nfs/dbraw/zinc/20/04/65/818200465.db2.gz FNYDZJFDEUPHHV-OAHLLOKOSA-N 1 0 287.334 3.048 20 10 CGCDRO COCC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)c(O)cc1O ZINC001232261391 818295637 /nfs/dbraw/zinc/29/56/37/818295637.db2.gz GFKFWYYXKCYYRC-LBPRGKRZSA-N 1 0 299.798 3.142 20 10 CGCDRO Oc1cc(O)c(C[NH+]2C[C@H]3CCCC[C@@H]3C2)cc1Cl ZINC001232259559 818296143 /nfs/dbraw/zinc/29/61/43/818296143.db2.gz LBKUJTOXPRQZSB-GHMZBOCLSA-N 1 0 281.783 3.373 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]2C)cc1Cl ZINC001232265652 818297092 /nfs/dbraw/zinc/29/70/92/818297092.db2.gz OJPJHCJUSCJPPM-VIFPVBQESA-N 1 0 255.745 3.039 20 10 CGCDRO CCCOC1CC[NH+](Cc2cc(Cl)c(O)cc2O)CC1 ZINC001232267763 818297368 /nfs/dbraw/zinc/29/73/68/818297368.db2.gz LPZQOKBINOOFBJ-UHFFFAOYSA-N 1 0 299.798 3.142 20 10 CGCDRO CC(C)[C@H]1CCC[N@@H+]1Cc1cc(Cl)c(O)cc1O ZINC001232263590 818298616 /nfs/dbraw/zinc/29/86/16/818298616.db2.gz SJCCHKHJQFXWRL-GFCCVEGCSA-N 1 0 269.772 3.372 20 10 CGCDRO C[N@H+](Cc1cc2ccoc2cn1)Cc1ccccc1O ZINC001232554265 818384593 /nfs/dbraw/zinc/38/45/93/818384593.db2.gz OUKDTPLGSOKCHV-UHFFFAOYSA-N 1 0 268.316 3.165 20 10 CGCDRO Cc1cccc(CC[N@@H+](C)Cc2ccc(N(C)C)cc2O)c1 ZINC001232839310 818453759 /nfs/dbraw/zinc/45/37/59/818453759.db2.gz FSTCBMGCOJOGRS-UHFFFAOYSA-N 1 0 298.430 3.441 20 10 CGCDRO CCCCC1CC[NH+](Cc2cc(O)c(O)c(O)c2)CC1 ZINC001233014417 818502966 /nfs/dbraw/zinc/50/29/66/818502966.db2.gz TZKJPOOLWDOLRB-UHFFFAOYSA-N 1 0 279.380 3.206 20 10 CGCDRO CC[N@H+](CCN(C)C)Cc1cc(C(C)(C)C)ccc1O ZINC001233283451 818565957 /nfs/dbraw/zinc/56/59/57/818565957.db2.gz HKGWTTSGERMYLX-UHFFFAOYSA-N 1 0 278.440 3.073 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2cc(C(C)(C)C)ccc2O)CCCO1 ZINC001233284339 818568753 /nfs/dbraw/zinc/56/87/53/818568753.db2.gz QVKWDHQDRFIKPV-CYBMUJFWSA-N 1 0 277.408 3.301 20 10 CGCDRO CC[NH+]1CCN(c2ccc(O[C@H](C)C3CCC3)cc2)CC1 ZINC001234657873 818908336 /nfs/dbraw/zinc/90/83/36/818908336.db2.gz KRDDEMOKPCSPBA-OAHLLOKOSA-N 1 0 288.435 3.396 20 10 CGCDRO CC(C)(C)c1ccc(O)c(CN2CCC[C@]23CC[NH2+]C3)c1 ZINC001235108598 819004506 /nfs/dbraw/zinc/00/45/06/819004506.db2.gz BMJCKTHBTKCSDX-GOSISDBHSA-N 1 0 288.435 3.018 20 10 CGCDRO CC(C)(C)c1ccc(CN2C[C@H]3CCC[C@@]3([NH3+])C2)c(O)c1 ZINC001235244796 819045929 /nfs/dbraw/zinc/04/59/29/819045929.db2.gz KUOMPVBAKXPRAT-CRAIPNDOSA-N 1 0 288.435 3.003 20 10 CGCDRO CC(C)(C)c1ccc(C[N@@H+]2CCOC[C@@H]2C2CC2)c(O)c1 ZINC001235677759 819138874 /nfs/dbraw/zinc/13/88/74/819138874.db2.gz HLCFBYVNDNSXTD-MRXNPFEDSA-N 1 0 289.419 3.301 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2ccc(C(C)(C)C)cc2O)[C@@H](C)CO1 ZINC001235682316 819139572 /nfs/dbraw/zinc/13/95/72/819139572.db2.gz WNZQPPYDVDCTIQ-QWHCGFSZSA-N 1 0 277.408 3.299 20 10 CGCDRO CC[C@H]1CN(Cc2ccc(N(C)C)c3ccccc23)CC[NH2+]1 ZINC001235723843 819151495 /nfs/dbraw/zinc/15/14/95/819151495.db2.gz JUHBSPPXYKBTGT-INIZCTEOSA-N 1 0 297.446 3.090 20 10 CGCDRO C[C@H]1CC[C@@H]([NH3+])CN1Cc1cccc(-c2ccccc2)c1O ZINC001235905030 819214224 /nfs/dbraw/zinc/21/42/24/819214224.db2.gz KNIKVALVXJDABW-WMLDXEAASA-N 1 0 296.414 3.371 20 10 CGCDRO CC(C)c1ccc(CN(C)[C@@]2(C)CCC[NH2+]C2)c(O)c1 ZINC001236206169 819369112 /nfs/dbraw/zinc/36/91/12/819369112.db2.gz IZOBBEPANDLCJC-KRWDZBQOSA-N 1 0 276.424 3.090 20 10 CGCDRO Cc1c(CN(C)[C@@H]2CCCC[C@H]2[NH3+])c2ccccc2n1C ZINC001236214181 819376055 /nfs/dbraw/zinc/37/60/55/819376055.db2.gz COFMSAWJWMMJKP-SJLPKXTDSA-N 1 0 285.435 3.188 20 10 CGCDRO c1cc(N2CCCC2)ccc1CN(C1CC1)[C@H]1CCC[NH2+]C1 ZINC001236237663 819396206 /nfs/dbraw/zinc/39/62/06/819396206.db2.gz UNNLRMORYYMGIE-IBGZPJMESA-N 1 0 299.462 3.003 20 10 CGCDRO CC(C)N(Cc1cc2ccccc2cc1O)[C@@H]1CC[NH2+]C1 ZINC001236529522 819521642 /nfs/dbraw/zinc/52/16/42/819521642.db2.gz NUVOILZDFXICDS-QGZVFWFLSA-N 1 0 284.403 3.118 20 10 CGCDRO CCc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCCO3)c(O)c1 ZINC001236786960 819594952 /nfs/dbraw/zinc/59/49/52/819594952.db2.gz SWPSKLHMEGLRDD-QGZVFWFLSA-N 1 0 275.392 3.100 20 10 CGCDRO COc1cc(O)c(C[N@H+](C)CC2CCC2)c(Cl)c1 ZINC001236798631 819600076 /nfs/dbraw/zinc/60/00/76/819600076.db2.gz GVBQOVALBJFJTK-UHFFFAOYSA-N 1 0 269.772 3.286 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CCC[C@](C)(F)CC2)c(O)c1 ZINC001236808072 819601155 /nfs/dbraw/zinc/60/11/55/819601155.db2.gz LPARLCSWKOQNGL-INIZCTEOSA-N 1 0 281.371 3.423 20 10 CGCDRO COc1cc(O)c(C[N@H+](CC2CC2)C2CC2)c(Cl)c1 ZINC001236806987 819602418 /nfs/dbraw/zinc/60/24/18/819602418.db2.gz CTWDVSQEFVFTBI-UHFFFAOYSA-N 1 0 281.783 3.429 20 10 CGCDRO CCC[NH+](CCC)Cc1c(C)cc(OC)cc1O ZINC001236817789 819605587 /nfs/dbraw/zinc/60/55/87/819605587.db2.gz HOZJZVBWMUNRRV-UHFFFAOYSA-N 1 0 251.370 3.331 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CCC[C@H]2c2cccnc2)c(O)c1 ZINC001236817647 819606863 /nfs/dbraw/zinc/60/68/63/819606863.db2.gz FNSJQZBZWOXYLQ-KRWDZBQOSA-N 1 0 298.386 3.441 20 10 CGCDRO CCOc1ccc(CN2Cc3cnc(C)cc3C2)c(O)c1 ZINC001237043277 819648666 /nfs/dbraw/zinc/64/86/66/819648666.db2.gz NVQDBEMNXSLGAW-UHFFFAOYSA-N 1 0 284.359 3.010 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2CCC[C@](C)(O)[C@H](C)C2)c(O)c1 ZINC001237047078 819649622 /nfs/dbraw/zinc/64/96/22/819649622.db2.gz ZTDCJHMIIFAWST-KDOFPFPSSA-N 1 0 291.435 3.499 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2CCCC[C@](O)(CF)C2)c(O)c1 ZINC001237046127 819649858 /nfs/dbraw/zinc/64/98/58/819649858.db2.gz PYSMQSGZRXXAHO-KRWDZBQOSA-N 1 0 295.398 3.202 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2CC[C@@]3(CCOC3)C2)c(O)c1 ZINC001237046542 819650100 /nfs/dbraw/zinc/65/01/00/819650100.db2.gz TVPKOORFQVWBOG-QGZVFWFLSA-N 1 0 275.392 3.128 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2C[C@H]3CCCC(=O)[C@@H]3C2)c(O)c1 ZINC001237050348 819652506 /nfs/dbraw/zinc/65/25/06/819652506.db2.gz AONBNDFSGJBCJA-GDBMZVCRSA-N 1 0 287.403 3.317 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2C[C@@H]3CCCN(C)[C@@H]3C2)c(O)c1 ZINC001237055804 819653636 /nfs/dbraw/zinc/65/36/36/819653636.db2.gz QGJSOIOETATQOQ-DOTOQJQBSA-N 1 0 288.435 3.042 20 10 CGCDRO CC(C)c1ccc(CN2CC[NH+](CC3CC3)CC2)c(O)c1 ZINC001237053990 819655579 /nfs/dbraw/zinc/65/55/79/819655579.db2.gz SEUZXQKRXUPIBQ-UHFFFAOYSA-N 1 0 288.435 3.043 20 10 CGCDRO CN(CCC[NH+](C)C)Cc1c(O)ccc(Cl)c1Cl ZINC001237078567 819662342 /nfs/dbraw/zinc/66/23/42/819662342.db2.gz USNSLMLRQGPCIC-UHFFFAOYSA-N 1 0 291.222 3.083 20 10 CGCDRO Oc1ccc(F)c(Cl)c1C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC001237120026 819671593 /nfs/dbraw/zinc/67/15/93/819671593.db2.gz HPQQRAJTPNHYTP-UWVGGRQHSA-N 1 0 269.747 3.417 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2cc(C(F)(F)F)ccc2O)CCCO1 ZINC001237135032 819674757 /nfs/dbraw/zinc/67/47/57/819674757.db2.gz FONTZVCNFBVTHW-SNVBAGLBSA-N 1 0 289.297 3.022 20 10 CGCDRO CCc1ccc(CN(C2CCC2)[C@H]2CCC[NH2+]C2)c(O)c1 ZINC001237156632 819682456 /nfs/dbraw/zinc/68/24/56/819682456.db2.gz PPHLFIPQTFBJHN-KRWDZBQOSA-N 1 0 288.435 3.061 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC001237487388 819761757 /nfs/dbraw/zinc/76/17/57/819761757.db2.gz IIWWWXCRPFDWCB-JTQLQIEISA-N 1 0 259.271 3.085 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCc2c(F)cccc2C1 ZINC001237492482 819763900 /nfs/dbraw/zinc/76/39/00/819763900.db2.gz REWKITJWSWXUCY-UHFFFAOYSA-N 1 0 271.335 3.398 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@H](Oc2ccncc2)C1 ZINC001237494292 819764143 /nfs/dbraw/zinc/76/41/43/819764143.db2.gz HCYSVROESBFGML-INIZCTEOSA-N 1 0 298.386 3.139 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2CCC[C@@H]2C)cc1Br ZINC001237678478 819803996 /nfs/dbraw/zinc/80/39/96/819803996.db2.gz ZTGJNMBPYHKKKT-JTQLQIEISA-N 1 0 284.197 3.447 20 10 CGCDRO COc1cc(C[N@@H+]2CC[C@@H](C)C[C@@H]2C)c(O)c(OC)c1 ZINC001237677067 819804060 /nfs/dbraw/zinc/80/40/60/819804060.db2.gz WPAGCYAGWHOLFF-NEPJUHHUSA-N 1 0 279.380 3.030 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H]3CCCO[C@@H]3C2)c1O ZINC001237679950 819805639 /nfs/dbraw/zinc/80/56/39/819805639.db2.gz MSZPULHEGAOTGH-SWLSCSKDSA-N 1 0 295.810 3.355 20 10 CGCDRO COc1cc(C[N@H+](C)[C@H]2CC[C@H](C)CC2)c(O)c(OC)c1 ZINC001237683751 819806881 /nfs/dbraw/zinc/80/68/81/819806881.db2.gz KIILFURZGAHRFY-MQMHXKEQSA-N 1 0 293.407 3.420 20 10 CGCDRO CC[N@@H+](Cc1ccccc1O)Cc1cc(O)ccc1C ZINC001238103963 819933980 /nfs/dbraw/zinc/93/39/80/819933980.db2.gz RWYTVALXJQFRHX-UHFFFAOYSA-N 1 0 271.360 3.428 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](F)C1)c1cc(F)ccc1O ZINC001349313092 936946188 /nfs/dbraw/zinc/94/61/88/936946188.db2.gz CSOCVYVSIBNJAP-HOSYDEDBSA-N 1 0 255.308 3.463 20 10 CGCDRO C[C@H](CC(F)(F)F)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000160562131 927441406 /nfs/dbraw/zinc/44/14/06/927441406.db2.gz WSYGXCVAXXAJAR-SNVBAGLBSA-N 1 0 260.303 3.183 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCN2CCCC[C@@H]12)c1ccccc1O ZINC000217659159 928157904 /nfs/dbraw/zinc/15/79/04/928157904.db2.gz VZSSWQBMEICTLX-JYJNAYRXSA-N 1 0 274.408 3.060 20 10 CGCDRO CC(C)CC[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000236733109 928218023 /nfs/dbraw/zinc/21/80/23/928218023.db2.gz ZMKHXTMREVMQNW-UHFFFAOYSA-N 1 0 290.451 3.031 20 10 CGCDRO CCN(C)c1ccc(C[NH2+][C@H]2C[C@](C)(OC)C2(C)C)cc1 ZINC001307777898 928497580 /nfs/dbraw/zinc/49/75/80/928497580.db2.gz FLRTWKLVQZWFPC-WMZOPIPTSA-N 1 0 290.451 3.436 20 10 CGCDRO COc1cccc(C[NH2+]C[C@H]2CCCC[C@@H]2C)c1O ZINC000042857227 928646671 /nfs/dbraw/zinc/64/66/71/928646671.db2.gz KNGAFIKMKCRFRT-QWHCGFSZSA-N 1 0 263.381 3.317 20 10 CGCDRO CCc1cccc(C[NH2+]C2(C3CC3)CCOCC2)c1O ZINC001327720180 928704017 /nfs/dbraw/zinc/70/40/17/928704017.db2.gz AOKFOOJXAZLTPJ-UHFFFAOYSA-N 1 0 275.392 3.003 20 10 CGCDRO COc1ccc(N(C)CC[N@H+](C)CCCC(C)C)cc1 ZINC001460332863 937526994 /nfs/dbraw/zinc/52/69/94/937526994.db2.gz DKHFUHXDOCSNGI-UHFFFAOYSA-N 1 0 278.440 3.499 20 10 CGCDRO Cc1ccc(C)c(C[N@@H+](C)C2CC(F)(F)C2)c1O ZINC001140178746 931956974 /nfs/dbraw/zinc/95/69/74/931956974.db2.gz WKQLVGRQIUZCTN-UHFFFAOYSA-N 1 0 255.308 3.239 20 10 CGCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@@](C)(CF)C2)c1O ZINC001140178326 931957324 /nfs/dbraw/zinc/95/73/24/931957324.db2.gz IGBLURLNDRSQBI-HNNXBMFYSA-N 1 0 251.345 3.191 20 10 CGCDRO COc1ccc(C[NH+]2CCC(C(F)(F)F)CC2)c(O)c1 ZINC000179951599 932016438 /nfs/dbraw/zinc/01/64/38/932016438.db2.gz NRWNRRHOZKKFEZ-UHFFFAOYSA-N 1 0 289.297 3.175 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H](CC(C)C)N(C)C)c(Cl)c1 ZINC001461032957 937560913 /nfs/dbraw/zinc/56/09/13/937560913.db2.gz SBKJRCSUJRZRLG-CYBMUJFWSA-N 1 0 298.858 3.420 20 10 CGCDRO COc1cc[nH+]c(NCc2ccc(N3CCCC3)cc2)c1 ZINC001461407021 937579873 /nfs/dbraw/zinc/57/98/73/937579873.db2.gz ZNEARNULLCMWPH-UHFFFAOYSA-N 1 0 283.375 3.303 20 10 CGCDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2CCC2(C)C)cc1F ZINC001461494207 937583446 /nfs/dbraw/zinc/58/34/46/937583446.db2.gz QOCJYGINDYVQQY-CQSZACIVSA-N 1 0 268.351 3.309 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@@H]2C[C@H](C)O[C@@H]2C)cc1C ZINC001461682917 937592041 /nfs/dbraw/zinc/59/20/41/937592041.db2.gz IVYXDNNQVBHWJX-SQWLQELKSA-N 1 0 277.408 3.439 20 10 CGCDRO CSC[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1O ZINC001461839882 937601133 /nfs/dbraw/zinc/60/11/33/937601133.db2.gz AMMJPBZUNDCYHC-LBPRGKRZSA-N 1 0 271.813 3.373 20 10 CGCDRO COC[C@H]1CCCC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001462046427 937614650 /nfs/dbraw/zinc/61/46/50/937614650.db2.gz QRAPHGXQZMUKBC-LBPRGKRZSA-N 1 0 283.799 3.294 20 10 CGCDRO CC1(C)CCCN1CC[NH2+]Cc1ccc(Cl)cc1O ZINC001462339913 937633802 /nfs/dbraw/zinc/63/38/02/937633802.db2.gz ZUUNTFAXNHLUAK-UHFFFAOYSA-N 1 0 282.815 3.010 20 10 CGCDRO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1Cc1ccc(N(C)C)cc1C ZINC001462415251 937639465 /nfs/dbraw/zinc/63/94/65/937639465.db2.gz PGGOLHIFMGDZPF-AEFFLSMTSA-N 1 0 290.451 3.450 20 10 CGCDRO COc1cc(C)c(C[NH+]2CCC(F)(C3CC3)CC2)c(O)c1 ZINC001462632641 937655437 /nfs/dbraw/zinc/65/54/37/937655437.db2.gz KHVFNTVDNDLLDX-UHFFFAOYSA-N 1 0 293.382 3.423 20 10 CGCDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@H](C)Cn1ccnc1 ZINC001308247467 933080125 /nfs/dbraw/zinc/08/01/25/933080125.db2.gz ZAXQPMUUMUQXCY-AWEZNQCLSA-N 1 0 296.418 3.109 20 10 CGCDRO CCCC[C@@H](COC)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001308277889 933086557 /nfs/dbraw/zinc/08/65/57/933086557.db2.gz VIBIOJNQXABPTF-HNNXBMFYSA-N 1 0 265.397 3.298 20 10 CGCDRO CN(C)c1ccc(CNc2ccc3c([nH+]2)CCC3)cc1F ZINC001308408958 933106585 /nfs/dbraw/zinc/10/65/85/933106585.db2.gz YFZWVFYKJMSBOG-UHFFFAOYSA-N 1 0 285.366 3.388 20 10 CGCDRO CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(Cl)cc2[O-])[C@H](C)C1 ZINC001308569550 933134695 /nfs/dbraw/zinc/13/46/95/933134695.db2.gz YHRVJXGRIKOGHA-IUODEOHRSA-N 1 0 296.842 3.208 20 10 CGCDRO Cc1ncsc1C[N@@H+](C)Cc1ccc(Cl)cc1O ZINC001308619642 933143360 /nfs/dbraw/zinc/14/33/60/933143360.db2.gz NMZXCKDEPZOQEF-UHFFFAOYSA-N 1 0 282.796 3.443 20 10 CGCDRO CC(C)(C)CC[C@H](CO)[NH2+]Cc1ccc(Cl)cc1O ZINC001308719670 933164746 /nfs/dbraw/zinc/16/47/46/933164746.db2.gz PSCDAMAFOXUHHG-CYBMUJFWSA-N 1 0 285.815 3.322 20 10 CGCDRO CCc1cccc(C[NH2+]CCN2CCCC(C)(C)C2)c1O ZINC001308719415 933164813 /nfs/dbraw/zinc/16/48/13/933164813.db2.gz AGFOVZVPZDBETR-UHFFFAOYSA-N 1 0 290.451 3.166 20 10 CGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CCC[C@@](O)(C3CC3)C2)c1 ZINC001308860278 933191815 /nfs/dbraw/zinc/19/18/15/933191815.db2.gz NIFSJFRACMJFTH-SFHVURJKSA-N 1 0 289.419 3.253 20 10 CGCDRO C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H](C)c1ccccc1O ZINC001325204597 934894340 /nfs/dbraw/zinc/89/43/40/934894340.db2.gz USWGFZHRYVMCSQ-VXGBXAGGSA-N 1 0 279.380 3.163 20 10 CGCDRO COCC1([NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3C)CC1 ZINC001325355828 934906818 /nfs/dbraw/zinc/90/68/18/934906818.db2.gz GDLRBFNAKOZTGX-NWDGAFQWSA-N 1 0 261.365 3.018 20 10 CGCDRO Cc1cc(C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3C)ncn1 ZINC001325355823 934907016 /nfs/dbraw/zinc/90/70/16/934907016.db2.gz GAMWHZCZWQPHOR-BXUZGUMPSA-N 1 0 283.375 3.137 20 10 CGCDRO CC[C@H]([NH2+]CC[C@H](C)[NH2+]C)c1cccc(Cl)c1[O-] ZINC001325755798 934927477 /nfs/dbraw/zinc/92/74/77/934927477.db2.gz HXIDPGOBWBBGKL-GWCFXTLKSA-N 1 0 270.804 3.084 20 10 CGCDRO CO[C@@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)CC(C)C ZINC001327487998 935063895 /nfs/dbraw/zinc/06/38/95/935063895.db2.gz VWNSORFSDMWOQF-GOSISDBHSA-N 1 0 290.451 3.438 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCC[C@H](F)C2)cc1C ZINC001329497936 935220877 /nfs/dbraw/zinc/22/08/77/935220877.db2.gz ALPSNJSIYHMHJX-KBPBESRZSA-N 1 0 251.345 3.379 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@H](C)CC(C)C)c1O ZINC001331996773 935432338 /nfs/dbraw/zinc/43/23/38/935432338.db2.gz ZWVXAIZLCRHTQI-GFCCVEGCSA-N 1 0 251.370 3.233 20 10 CGCDRO Nc1ccc(C[NH2+]CC[C@@H]2CCc3ccccc3N2)cc1 ZINC001334754807 936111854 /nfs/dbraw/zinc/11/18/54/936111854.db2.gz RSVKRTCZXVOCJC-KRWDZBQOSA-N 1 0 281.403 3.175 20 10 CGCDRO COc1ccccc1CC(C)(C)[NH2+]Cc1ccc(N)cc1 ZINC001334755140 936111929 /nfs/dbraw/zinc/11/19/29/936111929.db2.gz XJLDPRNFZNBYLQ-UHFFFAOYSA-N 1 0 284.403 3.388 20 10 CGCDRO CCn1ccnc1[C@@H]1CCCCN1Cc1ccc(N)cc1 ZINC001335288191 936137437 /nfs/dbraw/zinc/13/74/37/936137437.db2.gz FPAIQFZIXSMGNX-INIZCTEOSA-N 1 0 284.407 3.212 20 10 CGCDRO COc1ccccc1[C@H]1CC[N@H+](Cc2ccc(N)cc2)C1 ZINC001336285006 936185930 /nfs/dbraw/zinc/18/59/30/936185930.db2.gz GFDLCMMBXUUGHD-HNNXBMFYSA-N 1 0 282.387 3.267 20 10 CGCDRO Cc1cccc(OC[C@@H](C)[NH2+]Cc2ccc(N)cc2)c1 ZINC001336284980 936186271 /nfs/dbraw/zinc/18/62/71/936186271.db2.gz FTDWFIFBEBWUJT-CQSZACIVSA-N 1 0 270.376 3.134 20 10 CGCDRO Nc1ccc(C[N@@H+]2CCCC[C@@H](C3CCOCC3)C2)cc1 ZINC001337838761 936293566 /nfs/dbraw/zinc/29/35/66/936293566.db2.gz SOZQPIHJBDFPMK-QGZVFWFLSA-N 1 0 288.435 3.298 20 10 CGCDRO CC(C)[C@@H]1C[C@H]1C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC001474147991 937841729 /nfs/dbraw/zinc/84/17/29/937841729.db2.gz KAARYVHDPNCDQD-KBPBESRZSA-N 1 0 264.388 3.273 20 10 CGCDRO CCCOc1ccc(C[NH2+]CCOC(C)C)cc1C ZINC001474227304 937845322 /nfs/dbraw/zinc/84/53/22/937845322.db2.gz UBQJPNTXGLNOOC-UHFFFAOYSA-N 1 0 265.397 3.298 20 10 CGCDRO CCC[N@H+](C)C[C@@H]1CCN(Cc2ccc(Cl)cc2O)C1 ZINC001474308872 937850332 /nfs/dbraw/zinc/85/03/32/937850332.db2.gz IJOWCIOSAUOYQS-ZDUSSCGKSA-N 1 0 296.842 3.209 20 10 CGCDRO CC(C)c1ccc(O)c(C[N@@H+]2C[C@H](C)N(C)C[C@@H]2C)c1 ZINC001474463640 937861588 /nfs/dbraw/zinc/86/15/88/937861588.db2.gz TVUQJKMMJKDSJS-KBPBESRZSA-N 1 0 276.424 3.040 20 10 CGCDRO CC(C)c1ccc(O)c(C[N@H+](C)CCCCCO)c1 ZINC001474478410 937862201 /nfs/dbraw/zinc/86/22/01/937862201.db2.gz BCOCVNZSNQWQTF-UHFFFAOYSA-N 1 0 265.397 3.110 20 10 CGCDRO CC(C)c1ccc(O)c(C[N@H+](C)[C@H]2CCN(C)C[C@@H]2C)c1 ZINC001474504284 937864029 /nfs/dbraw/zinc/86/40/29/937864029.db2.gz FCYYVOWNDQYWDV-YOEHRIQHSA-N 1 0 290.451 3.288 20 10 CGCDRO CCO[C@H]1CCC[C@H]([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC001474608550 937870061 /nfs/dbraw/zinc/87/00/61/937870061.db2.gz GOGXXOKETDCGOJ-KBPBESRZSA-N 1 0 283.799 3.483 20 10 CGCDRO COc1cc(C)c(C[NH2+]Cc2cc(C)ccc2O)c(O)c1 ZINC001474634674 937871880 /nfs/dbraw/zinc/87/18/80/937871880.db2.gz HMZMUCHSHWQARD-UHFFFAOYSA-N 1 0 287.359 3.013 20 10 CGCDRO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]Cc2ccc(N(C)C)c(C)c2)C1(C)C ZINC001559847735 938237200 /nfs/dbraw/zinc/23/72/00/938237200.db2.gz ZRHSOZNGYGMBDF-IAOVAPTHSA-N 1 0 290.451 3.210 20 10 CGCDRO C[C@@H]1CCC[C@H]1[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001560323126 938253133 /nfs/dbraw/zinc/25/31/33/938253133.db2.gz GYGPEHGVHZDWNB-QMTHXVAHSA-N 1 0 268.351 3.309 20 10 CGCDRO CC[C@H]([NH2+]Cc1c(C)c2ccccc2n1C)[C@@H](O)C(C)C ZINC001560506018 938261121 /nfs/dbraw/zinc/26/11/21/938261121.db2.gz OICXBWONBCFNLR-YJBOKZPZSA-N 1 0 288.435 3.372 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2C[C@H](C)O[C@@H]2C)cc1F ZINC001560557365 938262943 /nfs/dbraw/zinc/26/29/43/938262943.db2.gz KZILAHSEUPYYJF-WOSRLPQWSA-N 1 0 294.414 3.327 20 10 CGCDRO Cc1ncc(C[N@@H+](C)Cc2ccc(Cl)cc2O)s1 ZINC001560660042 938268498 /nfs/dbraw/zinc/26/84/98/938268498.db2.gz CVKMEXURNPVMBD-UHFFFAOYSA-N 1 0 282.796 3.443 20 10 CGCDRO COc1cc(C)c(C[N@H+](C)C2Cc3ccccc3C2)c(O)c1 ZINC001560683019 938269819 /nfs/dbraw/zinc/26/98/19/938269819.db2.gz MHFWOFVKTGSGPZ-UHFFFAOYSA-N 1 0 297.398 3.308 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CCSC(C)(C)C2)c(O)c1 ZINC001560686808 938270422 /nfs/dbraw/zinc/27/04/22/938270422.db2.gz CDIGJIJMVWAVJA-UHFFFAOYSA-N 1 0 281.421 3.037 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+][C@H]2CCOC2(C)C)c1 ZINC001560835407 938278778 /nfs/dbraw/zinc/27/87/78/938278778.db2.gz OHAJVBSEGMQGBX-HNNXBMFYSA-N 1 0 263.381 3.173 20 10 CGCDRO [O-]c1cc(Cl)ccc1C[NH2+][C@]12C[C@H]1CCCC2 ZINC001560967617 938287003 /nfs/dbraw/zinc/28/70/03/938287003.db2.gz MSGLGYFZKVRAEI-BXUZGUMPSA-N 1 0 251.757 3.468 20 10 CGCDRO Cc1cc(O)c(C[NH+]2CCC(O)(C(C)C)CC2)cc1Cl ZINC001561046990 938291665 /nfs/dbraw/zinc/29/16/65/938291665.db2.gz XMUSPTXXLYKVIS-UHFFFAOYSA-N 1 0 297.826 3.337 20 10 CGCDRO CC(C)CSCCC[NH2+]Cc1ccc(N)cc1 ZINC001575617348 962395813 /nfs/dbraw/zinc/39/58/13/962395813.db2.gz KUDPKJIRFTYQOL-UHFFFAOYSA-N 1 0 252.427 3.138 20 10 CGCDRO Nc1ccc(C[NH2+]Cc2c[nH]nc2-c2ccccc2F)cc1 ZINC001580447078 962725260 /nfs/dbraw/zinc/72/52/60/962725260.db2.gz PRKMQQOPGAPRAL-UHFFFAOYSA-N 1 0 296.349 3.088 20 10 CGCDRO O=C(/C=C\[C@H]1CCC[NH2+]C1)N1CCCCCc2ccccc21 ZINC001580491938 962730973 /nfs/dbraw/zinc/73/09/73/962730973.db2.gz VZTGFLFWQMDVKY-YUQCYMQKSA-N 1 0 298.430 3.302 20 10 CGCDRO C[C@H]1CC[C@@H]([N@H+](C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC000092874802 345860763 /nfs/dbraw/zinc/86/07/63/345860763.db2.gz URMXDUFBTRNPFG-MAUKXSAKSA-N 1 0 288.435 3.144 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]Cc2cccc(OC)c2O)c1 ZINC000037771229 369108214 /nfs/dbraw/zinc/10/82/14/369108214.db2.gz YFEXBXBJKAWOQX-GFCCVEGCSA-N 1 0 287.359 3.260 20 10 CGCDRO COc1cccc(C[N@H+]([C@@H](C)C2CC2)C2CC2)c1O ZINC000092009776 370088105 /nfs/dbraw/zinc/08/81/05/370088105.db2.gz WECKNUVMIZBJHR-NSHDSACASA-N 1 0 261.365 3.164 20 10 CGCDRO CCC[N@H+](Cc1cncs1)Cc1ccccc1O ZINC000092704962 370099182 /nfs/dbraw/zinc/09/91/82/370099182.db2.gz NNGGQFOUBFQPNA-UHFFFAOYSA-N 1 0 262.378 3.261 20 10 CGCDRO CCOc1cccc(C[N@H+](C)CCC2CCOCC2)c1O ZINC000129649046 370996565 /nfs/dbraw/zinc/99/65/65/370996565.db2.gz VMNDAGQUIKCMKK-UHFFFAOYSA-N 1 0 293.407 3.039 20 10 CGCDRO CC[C@@H](O)CC[NH2+][C@@H](CC)c1cccc(Cl)c1[O-] ZINC000287273742 371633450 /nfs/dbraw/zinc/63/34/50/371633450.db2.gz BCOYFBVIWLCOKF-MFKMUULPSA-N 1 0 271.788 3.247 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](C)CCOC)c1ccc(N(C)C)cc1 ZINC000152735003 371720024 /nfs/dbraw/zinc/72/00/24/371720024.db2.gz XYTVFOXIXBAUQG-XJKSGUPXSA-N 1 0 264.413 3.218 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CCC=C(c2ccco2)C1 ZINC000289328564 371754722 /nfs/dbraw/zinc/75/47/22/371754722.db2.gz GLDLSRLLRQFQNJ-UHFFFAOYSA-N 1 0 255.317 3.275 20 10 CGCDRO C[C@H]1Oc2ccccc2[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000288609934 371741985 /nfs/dbraw/zinc/74/19/85/371741985.db2.gz QLXKXMWILAIRMT-KZULUSFZSA-N 1 0 281.355 3.233 20 10 CGCDRO CC[C@@H]([NH2+]CC[C@H]1CCCCO1)c1ccccc1O ZINC000159573642 372157159 /nfs/dbraw/zinc/15/71/59/372157159.db2.gz ORUTXEWCRBWJFJ-UKRRQHHQSA-N 1 0 263.381 3.392 20 10 CGCDRO CCC[C@]1(CO)CC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000293531647 372405426 /nfs/dbraw/zinc/40/54/26/372405426.db2.gz JLFLEJFBKJCHSE-SFHVURJKSA-N 1 0 290.451 3.046 20 10 CGCDRO C[C@@H](CO)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000293623006 372426750 /nfs/dbraw/zinc/42/67/50/372426750.db2.gz HCQUCGHUNJNZSE-QAPCUYQASA-N 1 0 299.414 3.284 20 10 CGCDRO COCC(C)(C)C[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000293851726 372500992 /nfs/dbraw/zinc/50/09/92/372500992.db2.gz XINATQHCUFDIMJ-CYBMUJFWSA-N 1 0 265.397 3.332 20 10 CGCDRO COCC(C)(C)C[NH2+][C@H](C)c1cc(C)ccc1O ZINC000293885850 372513190 /nfs/dbraw/zinc/51/31/90/372513190.db2.gz YWKJMFPHYAVHER-GFCCVEGCSA-N 1 0 251.370 3.024 20 10 CGCDRO CC[C@@H]([NH2+][C@H](CC)C(C)(C)O)c1ccc(F)cc1[O-] ZINC000294552891 372660416 /nfs/dbraw/zinc/66/04/16/372660416.db2.gz BHVYFPCXIYKJHS-TZMCWYRMSA-N 1 0 269.360 3.122 20 10 CGCDRO COCC1CCC([NH2+]Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000294966377 372682605 /nfs/dbraw/zinc/68/26/05/372682605.db2.gz GCCJYMWEIGONMI-UHFFFAOYSA-N 1 0 294.414 3.187 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](C)CCCO)c1ccc(C)cc1O ZINC000295839866 372929629 /nfs/dbraw/zinc/92/96/29/372929629.db2.gz AKFVLNPNOZTTPI-ZFWWWQNUSA-N 1 0 265.397 3.150 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H](C)CCCO)c1ccc(C)cc1O ZINC000295839863 372929861 /nfs/dbraw/zinc/92/98/61/372929861.db2.gz AKFVLNPNOZTTPI-UKRRQHHQSA-N 1 0 265.397 3.150 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)[C@H](O)C(F)F ZINC000296386481 373115844 /nfs/dbraw/zinc/11/58/44/373115844.db2.gz JWSTYOKQIJHBNE-JWYUURKGSA-N 1 0 293.741 3.101 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCOC1(C)C)c1cc(Cl)ccc1O ZINC000296506477 373156989 /nfs/dbraw/zinc/15/69/89/373156989.db2.gz PIJMLPNTONUBEH-TVQRCGJNSA-N 1 0 269.772 3.264 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCc2ncccc2C)c1 ZINC000296411712 373125346 /nfs/dbraw/zinc/12/53/46/373125346.db2.gz KXLOAUKMCBPVRX-CQSZACIVSA-N 1 0 270.376 3.297 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]C[C@@H]1CCCSC1)CC2 ZINC000297396110 373267813 /nfs/dbraw/zinc/26/78/13/373267813.db2.gz SCMOPBOXFDVWHW-WCQYABFASA-N 1 0 263.406 3.112 20 10 CGCDRO C[C@@H]([NH2+]Cc1cccc(CO)c1)c1ccc(N(C)C)cc1 ZINC000177840140 373713721 /nfs/dbraw/zinc/71/37/21/373713721.db2.gz WZEJIBREUKJVSU-CQSZACIVSA-N 1 0 284.403 3.096 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCO[C@@H](c3cccs3)C2)c1O ZINC000179887783 373934796 /nfs/dbraw/zinc/93/47/96/373934796.db2.gz MIDBQWYYRFIDKL-CQSZACIVSA-N 1 0 289.400 3.336 20 10 CGCDRO Cc1cc(Cl)cc(C[N@H+](C)CCc2nccs2)c1O ZINC000180633014 374030265 /nfs/dbraw/zinc/03/02/65/374030265.db2.gz MECTVWVALLBYQM-UHFFFAOYSA-N 1 0 296.823 3.485 20 10 CGCDRO C[N@H+](CCCCC(=O)OC(C)(C)C)Cc1ccccc1O ZINC000182161109 374227527 /nfs/dbraw/zinc/22/75/27/374227527.db2.gz UVNRJQFORUARDZ-UHFFFAOYSA-N 1 0 293.407 3.336 20 10 CGCDRO C[C@@H](C[N@H+](C)Cc1cc(F)ccc1O)c1nccs1 ZINC000183257061 374394272 /nfs/dbraw/zinc/39/42/72/374394272.db2.gz SRTXDYVAODKPNA-JTQLQIEISA-N 1 0 280.368 3.223 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H](O)Cc1ccccc1)c1ccccc1O ZINC000183321285 374400726 /nfs/dbraw/zinc/40/07/26/374400726.db2.gz ZOADOJVUBRNRGW-DOTOQJQBSA-N 1 0 285.387 3.037 20 10 CGCDRO C[C@H]([NH2+]CCOc1ncccc1Cl)c1ccccc1O ZINC000183617845 374434026 /nfs/dbraw/zinc/43/40/26/374434026.db2.gz KLIVLBBCPVNFOJ-NSHDSACASA-N 1 0 292.766 3.170 20 10 CGCDRO CCOc1ccc(O)c(C[N@H+](C)[C@@H](C)c2ccccn2)c1 ZINC000183677252 374440440 /nfs/dbraw/zinc/44/04/40/374440440.db2.gz SRNNAIKCFWHLCO-ZDUSSCGKSA-N 1 0 286.375 3.379 20 10 CGCDRO Cc1cc(O)c(C[N@H+](C)Cc2ccncc2)cc1C ZINC000183737687 374449557 /nfs/dbraw/zinc/44/95/57/374449557.db2.gz KLXQUEFGEVANHM-UHFFFAOYSA-N 1 0 256.349 3.036 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1O)c1cc2c(cc1O)CCCC2 ZINC000186791663 374917711 /nfs/dbraw/zinc/91/77/11/374917711.db2.gz MYPKNVGCORWESO-JCURWCKSSA-N 1 0 289.419 3.225 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@H]2CCCO[C@H]2CC(C)C)c1 ZINC000187680363 375071500 /nfs/dbraw/zinc/07/15/00/375071500.db2.gz ADEPVLBDJKHMHQ-RDJZCZTQSA-N 1 0 293.407 3.084 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)C2CC(F)(F)C2)c1 ZINC000529568771 375927910 /nfs/dbraw/zinc/92/79/10/375927910.db2.gz GQGKHNANIXCWIX-NXEZZACHSA-N 1 0 285.334 3.485 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH+]1CC(Cc2ccco2)C1 ZINC000529649315 375931936 /nfs/dbraw/zinc/93/19/36/375931936.db2.gz RARMAFKXCNZMTL-UHFFFAOYSA-N 1 0 277.751 3.313 20 10 CGCDRO CCc1ccc(C[NH2+]Cc2cc3c(cc2O)OCO3)s1 ZINC000227437550 376395845 /nfs/dbraw/zinc/39/58/45/376395845.db2.gz BLOMSUNNMLOSHC-UHFFFAOYSA-N 1 0 291.372 3.035 20 10 CGCDRO C[C@H](O)CC[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000268874817 378138014 /nfs/dbraw/zinc/13/80/14/378138014.db2.gz JWKOREINILGEHB-HOTGVXAUSA-N 1 0 290.451 3.489 20 10 CGCDRO COc1cccc(C[NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)c1O ZINC000270624016 378378002 /nfs/dbraw/zinc/37/80/02/378378002.db2.gz GEBBXHHYPGHTHK-UKRRQHHQSA-N 1 0 293.407 3.084 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)cc1 ZINC000270671059 378385827 /nfs/dbraw/zinc/38/58/27/378385827.db2.gz QKPNEBRWVDADNC-RDJZCZTQSA-N 1 0 290.451 3.436 20 10 CGCDRO CO[C@@H](c1ccc(F)cc1)[C@H](C)[NH2+]Cc1ccccc1O ZINC000271337249 378490315 /nfs/dbraw/zinc/49/03/15/378490315.db2.gz GFXPKBDHGADFGB-YVEFUNNKSA-N 1 0 289.350 3.397 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2cnn(CC)c2)cc1 ZINC000271449061 378493890 /nfs/dbraw/zinc/49/38/90/378493890.db2.gz FKPBMSBJTXZDKU-AWEZNQCLSA-N 1 0 286.423 3.210 20 10 CGCDRO CC(C)CSCC[NH2+][C@H](C)c1ccccc1O ZINC000271719662 378500405 /nfs/dbraw/zinc/50/04/05/378500405.db2.gz XNNCGOSDMBJWQT-GFCCVEGCSA-N 1 0 253.411 3.432 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+][C@H]2CCCSC2)c1O ZINC000271822994 378507995 /nfs/dbraw/zinc/50/79/95/378507995.db2.gz NEKANXUIXQVOIP-LBPRGKRZSA-N 1 0 271.813 3.339 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@H]2CCO[C@@H](CC(C)C)C2)c1 ZINC000272134597 378569723 /nfs/dbraw/zinc/56/97/23/378569723.db2.gz NMIHAPOWDOEOOM-HOCLYGCPSA-N 1 0 293.407 3.084 20 10 CGCDRO C[C@H]([NH2+]CC[C@H]1CCO[C@H](C)C1)c1ccccc1O ZINC000273175096 378737047 /nfs/dbraw/zinc/73/70/47/378737047.db2.gz CSWUVAHHECQXFX-RDBSUJKOSA-N 1 0 263.381 3.248 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCc3c2cccc3O)c1 ZINC000273550374 378752567 /nfs/dbraw/zinc/75/25/67/378752567.db2.gz FSTWKNWXNFDTDV-MEDUHNTESA-N 1 0 299.370 3.445 20 10 CGCDRO C[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000277739133 379226516 /nfs/dbraw/zinc/22/65/16/379226516.db2.gz KAWLXFZIABQTPT-QAPCUYQASA-N 1 0 288.435 3.192 20 10 CGCDRO COCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000282275977 379887363 /nfs/dbraw/zinc/88/73/63/379887363.db2.gz RLUPMSGJIZSZCS-RDJZCZTQSA-N 1 0 276.424 3.047 20 10 CGCDRO COCC1([NH2+]Cc2cc(Cl)cc(C)c2O)CCC1 ZINC000285156917 380146196 /nfs/dbraw/zinc/14/61/96/380146196.db2.gz PEWVZWNYQATKCB-UHFFFAOYSA-N 1 0 269.772 3.013 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CC(C)(C)C[C@@H](C)O)c(O)c1 ZINC000285451632 380147796 /nfs/dbraw/zinc/14/77/96/380147796.db2.gz ZNBSXFOSUTUKLG-ZIAGYGMSSA-N 1 0 279.424 3.457 20 10 CGCDRO CCOC(CC[NH2+][C@@H](C)c1c(C)cc(C)cc1O)OCC ZINC000285334023 380148844 /nfs/dbraw/zinc/14/88/44/380148844.db2.gz UKDUJXWPYUPDKI-AWEZNQCLSA-N 1 0 295.423 3.449 20 10 CGCDRO CCC[C@H](CCO)C[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000284148978 380131481 /nfs/dbraw/zinc/13/14/81/380131481.db2.gz PDYFJKHOFFVNHG-LSDHHAIUSA-N 1 0 279.424 3.458 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1cc(Cl)ccc1O ZINC000363866768 382259479 /nfs/dbraw/zinc/25/94/79/382259479.db2.gz PGGUNZRGEGBLEW-TVQRCGJNSA-N 1 0 291.782 3.497 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C2CC(N3CCCCC3)C2)c1 ZINC000366433581 382308654 /nfs/dbraw/zinc/30/86/54/382308654.db2.gz OOZYUZNSGXWUNY-FHERZECASA-N 1 0 288.435 3.368 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]CCCCCSC)c1 ZINC000185164075 262044321 /nfs/dbraw/zinc/04/43/21/262044321.db2.gz KYSIZJXNSFLFMY-UHFFFAOYSA-N 1 0 283.437 3.414 20 10 CGCDRO c1[nH]nc2c1[C@@H]([NH2+]Cc1ccc(N3CCCC3)cc1)CCC2 ZINC000367614715 542589207 /nfs/dbraw/zinc/58/92/07/542589207.db2.gz HYGOCROWOBEYBV-KRWDZBQOSA-N 1 0 296.418 3.177 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H]2CSC)c1 ZINC000093761469 392239253 /nfs/dbraw/zinc/23/92/53/392239253.db2.gz SPNJVICZSLHECW-CYBMUJFWSA-N 1 0 281.421 3.118 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1CCCSC1)c1ccccc1O ZINC000121644041 392414256 /nfs/dbraw/zinc/41/42/56/392414256.db2.gz MKVZXSCSMCUMFV-DGCLKSJQSA-N 1 0 251.395 3.329 20 10 CGCDRO COc1cccc(C[N@@H+]2CC[C@@H](c3ccccc3)C2)c1O ZINC000133700917 392463846 /nfs/dbraw/zinc/46/38/46/392463846.db2.gz WJSQEAPNBYBDIB-OAHLLOKOSA-N 1 0 283.371 3.390 20 10 CGCDRO C[C@@H]([NH2+][C@@H](CCO)C(C)(C)C)c1ccc(N(C)C)cc1 ZINC000158070504 392553003 /nfs/dbraw/zinc/55/30/03/392553003.db2.gz QENOOBCKENNQCQ-CJNGLKHVSA-N 1 0 278.440 3.200 20 10 CGCDRO C[C@H]([NH2+]C[C@]1(C)CCO[C@@H]1C1CC1)c1ccccc1O ZINC000372096213 392583408 /nfs/dbraw/zinc/58/34/08/392583408.db2.gz RHQDZMTWJRMABO-VUCTXSBTSA-N 1 0 275.392 3.248 20 10 CGCDRO CCOC[C@@H]1CC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000177635245 392665164 /nfs/dbraw/zinc/66/51/64/392665164.db2.gz RURRPKIPAIPCMH-CQSZACIVSA-N 1 0 285.387 3.404 20 10 CGCDRO C[C@@H](c1cccnc1)[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000178416649 392678848 /nfs/dbraw/zinc/67/88/48/392678848.db2.gz HPSXOKSDUVOMRW-AWEZNQCLSA-N 1 0 269.392 3.341 20 10 CGCDRO O=C(c1ccccc1)C1CC[NH+](Cc2ccccc2O)CC1 ZINC000179558373 392702741 /nfs/dbraw/zinc/70/27/41/392702741.db2.gz DAIJOFNRWFUVQO-UHFFFAOYSA-N 1 0 295.382 3.487 20 10 CGCDRO C=Cn1cc(C[NH2+]Cc2ccc(N(CC)CC)cc2)cn1 ZINC000194231584 392908606 /nfs/dbraw/zinc/90/86/06/392908606.db2.gz QDYHGLSIRBKLLC-UHFFFAOYSA-N 1 0 284.407 3.120 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H]2CCc3cnn(C(C)C)c3C2)c1 ZINC000365135966 292165176 /nfs/dbraw/zinc/16/51/76/292165176.db2.gz NDTRSFHJGCQFGT-INIZCTEOSA-N 1 0 299.418 3.125 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC2([C@H](O)C(C)C)CC2)c1 ZINC000273538392 292165492 /nfs/dbraw/zinc/16/54/92/292165492.db2.gz XWHGGBVTNNOQIO-CZUORRHYSA-N 1 0 277.408 3.148 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+][C@H]1CCOC3(CCC3)C1)CC2 ZINC000296676026 296592916 /nfs/dbraw/zinc/59/29/16/296592916.db2.gz GEVWTZKZTKWQOM-UONOGXRCSA-N 1 0 273.376 3.071 20 10 CGCDRO CCOC(C)(C)C[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000159217232 285983455 /nfs/dbraw/zinc/98/34/55/285983455.db2.gz YWMBWRNCUDZBRZ-LBPRGKRZSA-N 1 0 251.370 3.166 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](C)CC(C)(C)O)c1ccc(N(C)C)cc1 ZINC000296639335 286919460 /nfs/dbraw/zinc/91/94/60/286919460.db2.gz XXVLBZBUXUYMHX-XJKSGUPXSA-N 1 0 278.440 3.343 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](c1ccco1)N(C)C)c1ccccc1O ZINC000020122325 171002701 /nfs/dbraw/zinc/00/27/01/171002701.db2.gz PKOKBKGICJFULS-GJZGRUSLSA-N 1 0 288.391 3.329 20 10 CGCDRO CN(C)c1ccc(C[NH2+]Cc2ccc(F)cc2F)cc1 ZINC000020145998 171031686 /nfs/dbraw/zinc/03/16/86/171031686.db2.gz IFHMYBHOPNMZRH-UHFFFAOYSA-N 1 0 276.330 3.321 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](C(C)C)N2CCCC2)c(O)c1 ZINC000020201014 171064513 /nfs/dbraw/zinc/06/45/13/171064513.db2.gz BZZNWYGUNNAAHT-RDJZCZTQSA-N 1 0 290.451 3.472 20 10 CGCDRO CC[C@H]([NH2+]C[C@H](O)c1ccccc1)c1ccccc1O ZINC000035601241 172290407 /nfs/dbraw/zinc/29/04/07/172290407.db2.gz WLIYDZFQBWULKV-RDJZCZTQSA-N 1 0 271.360 3.167 20 10 CGCDRO CC[C@H]([NH2+]Cc1nc(C)cs1)c1ccccc1O ZINC000038090699 174103743 /nfs/dbraw/zinc/10/37/43/174103743.db2.gz DKJOGKRNUWYQPJ-LBPRGKRZSA-N 1 0 262.378 3.398 20 10 CGCDRO C[C@@](O)(CC[NH2+][C@H]1CCc2cccc(O)c21)c1ccccc1 ZINC000296342542 224629906 /nfs/dbraw/zinc/62/99/06/224629906.db2.gz HBGBVUZBZLJUQQ-QFBILLFUSA-N 1 0 297.398 3.267 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](CC(C)C)CN(C)C)c1 ZINC000037167029 260072102 /nfs/dbraw/zinc/07/21/02/260072102.db2.gz RFCWZLORMDXSTN-KBPBESRZSA-N 1 0 294.439 3.028 20 10 CGCDRO C[C@@H](CO)C[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000151744321 261054871 /nfs/dbraw/zinc/05/48/71/261054871.db2.gz OOFCCDRALNCWKL-CVEARBPZSA-N 1 0 290.451 3.346 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccnn1C)c1ccc(N2CCCCC2)cc1 ZINC000152206533 261061221 /nfs/dbraw/zinc/06/12/21/261061221.db2.gz KACLUMQZJACOET-OAHLLOKOSA-N 1 0 298.434 3.261 20 10 CGCDRO COc1cccc(C[N@H+]([C@H](C)C(C)C)C2CC2)c1O ZINC000156982972 261136955 /nfs/dbraw/zinc/13/69/55/261136955.db2.gz NVKSOIIAYRFCQM-GFCCVEGCSA-N 1 0 263.381 3.410 20 10 CGCDRO CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(Cl)ccc2O)C1 ZINC000185059706 262039427 /nfs/dbraw/zinc/03/94/27/262039427.db2.gz LPNWHRSWTWJGJD-RYUDHWBXSA-N 1 0 282.815 3.038 20 10 CGCDRO Cc1ccc([C@H](O)C[NH2+][C@@H](C)c2cc(F)ccc2O)cc1 ZINC000185099382 262041060 /nfs/dbraw/zinc/04/10/60/262041060.db2.gz AJMBMOSJJCBENZ-YVEFUNNKSA-N 1 0 289.350 3.224 20 10 CGCDRO C[C@H]([NH2+][C@@H](CCO)C(C)(C)C)c1cc(Cl)ccc1O ZINC000185190804 262045428 /nfs/dbraw/zinc/04/54/28/262045428.db2.gz YQNXEEDYQKIODF-HZMBPMFUSA-N 1 0 285.815 3.493 20 10 CGCDRO C[C@@H](O)CC(C)(C)C[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000186074985 262078469 /nfs/dbraw/zinc/07/84/69/262078469.db2.gz RMMAHYGMPZBGOB-MNOVXSKESA-N 1 0 285.815 3.493 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCN(c3ccccn3)C2)c1 ZINC000186171243 262082462 /nfs/dbraw/zinc/08/24/62/262082462.db2.gz LFPOQBHVZZWEAN-CABCVRRESA-N 1 0 297.402 3.025 20 10 CGCDRO C/C=C/C[C@@H](CO)[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000186503372 262095589 /nfs/dbraw/zinc/09/55/89/262095589.db2.gz WJSOBSMVQJIYOP-DNKIIHMASA-N 1 0 289.419 3.249 20 10 CGCDRO CCOC(C)(C)C[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000285048237 263089654 /nfs/dbraw/zinc/08/96/54/263089654.db2.gz IIBMVOIPONUSBS-ZDUSSCGKSA-N 1 0 265.397 3.475 20 10 CGCDRO CCOC[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)C(C)C ZINC000189351604 264292986 /nfs/dbraw/zinc/29/29/86/264292986.db2.gz MICAZRNDSMPYEE-SMDDNHRTSA-N 1 0 269.360 3.243 20 10 CGCDRO CCOC[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)C(C)C ZINC000189351590 264292991 /nfs/dbraw/zinc/29/29/91/264292991.db2.gz MICAZRNDSMPYEE-FZMZJTMJSA-N 1 0 269.360 3.243 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCCc3n[nH]cc32)cc1 ZINC000367604839 267104341 /nfs/dbraw/zinc/10/43/41/267104341.db2.gz DIPZOFINVVUBJN-KRWDZBQOSA-N 1 0 298.434 3.423 20 10 CGCDRO Cc1cccc(OC2CC[NH+](Cc3ccccc3O)CC2)n1 ZINC000368622240 267191743 /nfs/dbraw/zinc/19/17/43/267191743.db2.gz CYIPFCNMOLXHAJ-UHFFFAOYSA-N 1 0 298.386 3.139 20 10 CGCDRO CCN(C)CC[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000054109888 276305984 /nfs/dbraw/zinc/30/59/84/276305984.db2.gz LSKZZYDCLGJAQO-CYBMUJFWSA-N 1 0 272.392 3.148 20 10 CGCDRO COc1cccc(C[NH2+][C@@H]2c3ccccc3O[C@@H]2C)c1O ZINC000288699244 278012828 /nfs/dbraw/zinc/01/28/28/278012828.db2.gz YKCJSOKRBMNQFY-BZNIZROVSA-N 1 0 285.343 3.013 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)c2cnccn2)cc1 ZINC000178228669 327792832 /nfs/dbraw/zinc/79/28/32/327792832.db2.gz SKESUYUOGSZLEL-CQSZACIVSA-N 1 0 284.407 3.174 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CC[C@H](C3CC3)C2)c1O ZINC000378349431 329047100 /nfs/dbraw/zinc/04/71/00/329047100.db2.gz OMADAVSIGLOFNE-ZDUSSCGKSA-N 1 0 261.365 3.023 20 10 CGCDRO COc1ccc(N2CCC([NH2+][C@@H]3CC=CCC3)CC2)cc1 ZINC000360039533 329070400 /nfs/dbraw/zinc/07/04/00/329070400.db2.gz KIAUXNDPPPRZCB-OAHLLOKOSA-N 1 0 286.419 3.362 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186439741 329342501 /nfs/dbraw/zinc/34/25/01/329342501.db2.gz OBMBPABPCRGJNH-GOSISDBHSA-N 1 0 281.355 3.024 20 10 CGCDRO CCSCCC[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000271799642 330082643 /nfs/dbraw/zinc/08/26/43/330082643.db2.gz JYEIIGOSGINKDD-LLVKDONJSA-N 1 0 269.410 3.195 20 10 CGCDRO Oc1ccc(Br)cc1C[NH2+]CC1CC=CC1 ZINC000527751665 330281062 /nfs/dbraw/zinc/28/10/62/330281062.db2.gz XYNPABLPUBBDHN-UHFFFAOYSA-N 1 0 282.181 3.211 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCN2C2CCCC2)cc1C ZINC000527811577 330284793 /nfs/dbraw/zinc/28/47/93/330284793.db2.gz YGMLLUAMJJFYQH-KRWDZBQOSA-N 1 0 288.435 3.116 20 10 CGCDRO COc1ccc([C@@H]([NH2+]Cc2cc(C)ccc2O)C2CC2)cn1 ZINC000527841456 330287355 /nfs/dbraw/zinc/28/73/55/330287355.db2.gz PMRRSVVPNUCOLG-SFHVURJKSA-N 1 0 298.386 3.345 20 10 CGCDRO C[C@@H]([NH2+]C[C@@]1(C)COc2ccccc2O1)c1ccccc1O ZINC000527931068 330297394 /nfs/dbraw/zinc/29/73/94/330297394.db2.gz JMBXDJHACWJAHV-ACJLOTCBSA-N 1 0 299.370 3.273 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@]2(C)OC(C)C)c(O)c1 ZINC000527996690 330299574 /nfs/dbraw/zinc/29/95/74/330299574.db2.gz FHMMDPYNOASNDK-MAZHCROVSA-N 1 0 263.381 3.307 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCN2C2CCCC2)c(O)c1 ZINC000528001087 330299899 /nfs/dbraw/zinc/29/98/99/330299899.db2.gz KXSSYXFZKBKNFO-GOEBONIOSA-N 1 0 288.435 3.368 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1CCN1C1CCCC1)c1cc(F)ccc1O ZINC000528001782 330300258 /nfs/dbraw/zinc/30/02/58/330300258.db2.gz NIUYODAJXAMAFX-DOMZBBRYSA-N 1 0 292.398 3.199 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H](O)c1ccsc1)c1ccccc1O ZINC000155950560 330709332 /nfs/dbraw/zinc/70/93/32/330709332.db2.gz VFFFBINNLUXIRE-UKRRQHHQSA-N 1 0 277.389 3.228 20 10 CGCDRO CC[C@@H]([NH2+]Cc1c(C)c2ccccc2n1C)[C@H]1CCOC1 ZINC000479466344 331731801 /nfs/dbraw/zinc/73/18/01/331731801.db2.gz ZSEJAPFWMSGVTH-GOEBONIOSA-N 1 0 286.419 3.391 20 10 CGCDRO COc1ccc(C[NH2+]CC[C@H]2CCCCO2)cc1C ZINC000227339756 333281119 /nfs/dbraw/zinc/28/11/19/333281119.db2.gz PSJMDPGCWYWRIN-OAHLLOKOSA-N 1 0 263.381 3.052 20 10 CGCDRO COc1ccc(O)c(C[NH2+]CCCCCCSC)c1 ZINC000230391802 333317019 /nfs/dbraw/zinc/31/70/19/333317019.db2.gz XGGSISOBODNTOV-UHFFFAOYSA-N 1 0 283.437 3.414 20 10 CGCDRO CCOc1cccc(C[NH2+]C[C@@H](C)c2nccs2)c1O ZINC000230693847 333321023 /nfs/dbraw/zinc/32/10/23/333321023.db2.gz SELDHNMNFFGKGB-LLVKDONJSA-N 1 0 292.404 3.141 20 10 CGCDRO CCC(CC)(C[NH2+]Cc1cccc(OC)c1O)SC ZINC000230708373 333321264 /nfs/dbraw/zinc/32/12/64/333321264.db2.gz UYSILORERAYWGS-UHFFFAOYSA-N 1 0 283.437 3.412 20 10 CGCDRO COCCC(C)(C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC000230867482 333321942 /nfs/dbraw/zinc/32/19/42/333321942.db2.gz ZUTBEBOHFFEHGX-UHFFFAOYSA-N 1 0 265.397 3.156 20 10 CGCDRO COCCC1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000529637263 333502406 /nfs/dbraw/zinc/50/24/06/333502406.db2.gz AHSCNHGPILAOSC-UHFFFAOYSA-N 1 0 283.799 3.294 20 10 CGCDRO CO[C@@H](C)CC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000264538340 334679729 /nfs/dbraw/zinc/67/97/29/334679729.db2.gz OATKPYYFARRRTK-HNNXBMFYSA-N 1 0 276.424 3.192 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)c2nccnc2C)cc1 ZINC000187795552 517641867 /nfs/dbraw/zinc/64/18/67/517641867.db2.gz ZYAHRLXKEXAUDA-OAHLLOKOSA-N 1 0 298.434 3.482 20 10 CGCDRO CCC[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000052067783 520063702 /nfs/dbraw/zinc/06/37/02/520063702.db2.gz LNRRHDJXWOSVCA-MRVPVSSYSA-N 1 0 258.159 3.215 20 10 CGCDRO CCCCC[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000152220005 520223494 /nfs/dbraw/zinc/22/34/94/520223494.db2.gz YAXDNLUHHYJQPA-UHFFFAOYSA-N 1 0 276.424 3.444 20 10 CGCDRO CC[NH+](CC)[C@H](C(=O)Nc1ccc(N)cc1)c1ccccc1 ZINC000236866472 520850195 /nfs/dbraw/zinc/85/01/95/520850195.db2.gz MXHPIXNSQBBILY-KRWDZBQOSA-N 1 0 297.402 3.290 20 10 CGCDRO CCOc1cccc(C[NH2+]CCc2ccsc2)c1O ZINC000049152578 521364595 /nfs/dbraw/zinc/36/45/95/521364595.db2.gz XOJVNWATDUNMLO-UHFFFAOYSA-N 1 0 277.389 3.185 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)c1O ZINC000290654592 521373620 /nfs/dbraw/zinc/37/36/20/521373620.db2.gz ZHIIUQXBHALICD-BPQIPLTHSA-N 1 0 295.382 3.219 20 10 CGCDRO CC[C@H](C[NH2+][C@@H](C)c1ccc(C)c(C)c1O)OC ZINC000290240113 522199068 /nfs/dbraw/zinc/19/90/68/522199068.db2.gz SMKRUACITVIJLZ-QWHCGFSZSA-N 1 0 251.370 3.085 20 10 CGCDRO CC[C@H]([NH2+]C[C@@](C)(OC)C1CC1)c1ccccc1O ZINC000291226142 522623717 /nfs/dbraw/zinc/62/37/17/522623717.db2.gz NUHWIMYASPPBJW-GOEBONIOSA-N 1 0 263.381 3.248 20 10 CGCDRO CC[C@H]([NH2+]C[C@H](C)SC)c1ccc(C)cc1O ZINC000280214604 522626199 /nfs/dbraw/zinc/62/61/99/522626199.db2.gz UJCRYHZBNIHACT-AAEUAGOBSA-N 1 0 253.411 3.493 20 10 CGCDRO CCc1nnc(C[NH2+][C@H](CC)c2ccc(C)cc2O)s1 ZINC000290097404 522748804 /nfs/dbraw/zinc/74/88/04/522748804.db2.gz HSPVFABLGACDMT-GFCCVEGCSA-N 1 0 291.420 3.355 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H]1CCc2nccn2C1)c1ccc(C)cc1O ZINC000279964156 522867426 /nfs/dbraw/zinc/86/74/26/522867426.db2.gz CNXOAGDRQPUQBI-GDBMZVCRSA-N 1 0 299.418 3.200 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](C)c1cn[nH]c1)c1ccc(C)cc1O ZINC000280214481 522916841 /nfs/dbraw/zinc/91/68/41/522916841.db2.gz UIJWDDJHOXALDY-SMDDNHRTSA-N 1 0 259.353 3.226 20 10 CGCDRO CC[C@@H]([NH2+][C@H](C)COCC(F)(F)F)c1ccccc1O ZINC000274886526 522934115 /nfs/dbraw/zinc/93/41/15/522934115.db2.gz IQIMYGLMFNUYGY-ZYHUDNBSSA-N 1 0 291.313 3.400 20 10 CGCDRO CO[C@@]1(C)CCC[N@H+](Cc2ccc(N(C)C)cc2)CC1 ZINC000280189137 523806350 /nfs/dbraw/zinc/80/63/50/523806350.db2.gz HHTSUGHVLSRUQV-KRWDZBQOSA-N 1 0 276.424 3.144 20 10 CGCDRO Cc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2O)cn1 ZINC000094618154 524603075 /nfs/dbraw/zinc/60/30/75/524603075.db2.gz QDQJRFIACFLHLT-LLVKDONJSA-N 1 0 260.312 3.086 20 10 CGCDRO COc1ncccc1C[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000293242336 525061341 /nfs/dbraw/zinc/06/13/41/525061341.db2.gz BFMPMYVJBFLIDR-ZDUSSCGKSA-N 1 0 286.375 3.263 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c1 ZINC000290998922 525338705 /nfs/dbraw/zinc/33/87/05/525338705.db2.gz AQEWWBFVUOJFOZ-JKSUJKDBSA-N 1 0 275.392 3.090 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1CCOC1)c1ccc(N2CCCCC2)cc1 ZINC000268883800 525392503 /nfs/dbraw/zinc/39/25/03/525392503.db2.gz YKXINGCSNVYDQL-HOTGVXAUSA-N 1 0 288.435 3.364 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1CCCCN1C1CC1)c1ccccc1O ZINC000278457224 525414369 /nfs/dbraw/zinc/41/43/69/525414369.db2.gz MFEBLSIAQODWTA-DZGCQCFKSA-N 1 0 274.408 3.060 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1CCCCN1C1CC1)c1cc(F)ccc1O ZINC000278378149 525500464 /nfs/dbraw/zinc/50/04/64/525500464.db2.gz DZCISSBPYZKVHE-IUODEOHRSA-N 1 0 292.398 3.199 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc2c(c1)OCO2 ZINC000074336345 525526136 /nfs/dbraw/zinc/52/61/36/525526136.db2.gz NNNLJOARKKOYOO-CYBMUJFWSA-N 1 0 298.386 3.332 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc3c2OCO3)c(O)c1 ZINC000040667084 525733666 /nfs/dbraw/zinc/73/36/66/525733666.db2.gz AORQKMXWCYOVPI-GFCCVEGCSA-N 1 0 285.343 3.280 20 10 CGCDRO COc1cccc(C[N@H+](C)[C@H](C)c2ccco2)c1O ZINC000131106476 525915866 /nfs/dbraw/zinc/91/58/66/525915866.db2.gz WHICIYHZXYYATD-LLVKDONJSA-N 1 0 261.321 3.187 20 10 CGCDRO COc1cccc(C[NH2+]Cc2ccc(C)cc2C)c1O ZINC000237219192 526022966 /nfs/dbraw/zinc/02/29/66/526022966.db2.gz ULEXQINTESYRPU-UHFFFAOYSA-N 1 0 271.360 3.307 20 10 CGCDRO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1cc(C)ccc1O ZINC000290651681 526524640 /nfs/dbraw/zinc/52/46/40/526524640.db2.gz ZBZFAPSHOUTCIQ-OAHLLOKOSA-N 1 0 285.391 3.378 20 10 CGCDRO Cc1ncc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)s1 ZINC000040997733 527275115 /nfs/dbraw/zinc/27/51/15/527275115.db2.gz BDZWWMXFFHGKNY-NSHDSACASA-N 1 0 275.421 3.368 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@H](CCO)c2cccs2)cc1 ZINC000740900673 571894831 /nfs/dbraw/zinc/89/48/31/571894831.db2.gz UWMYLPFMPAGZAL-OAHLLOKOSA-N 1 0 290.432 3.027 20 10 CGCDRO COc1cccc(O)c1C[NH2+]Cc1c(C)cccc1F ZINC000742380120 572351948 /nfs/dbraw/zinc/35/19/48/572351948.db2.gz ABYGHWQAVCNPQE-UHFFFAOYSA-N 1 0 275.323 3.138 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)Cc2cnc(C)nc2)cc1 ZINC000738299019 572369658 /nfs/dbraw/zinc/36/96/58/572369658.db2.gz MHUBJKNIKHGJSA-UHFFFAOYSA-N 1 0 298.434 3.263 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000725779086 572399885 /nfs/dbraw/zinc/39/98/85/572399885.db2.gz LAGALGOWQYHRQF-LLVKDONJSA-N 1 0 263.381 3.237 20 10 CGCDRO COC(=O)c1cc2ccccc2c(C[N@@H+]2CC[C@@H](C)C2)c1O ZINC000725777918 572400120 /nfs/dbraw/zinc/40/01/20/572400120.db2.gz JGNZSNYRGYYPND-GFCCVEGCSA-N 1 0 299.370 3.174 20 10 CGCDRO COc1cccc(O)c1C[NH2+]Cc1ccc(C)c(F)c1 ZINC000725844325 572437475 /nfs/dbraw/zinc/43/74/75/572437475.db2.gz UVFZVGWNYJJXQP-UHFFFAOYSA-N 1 0 275.323 3.138 20 10 CGCDRO CCOCc1cc(C[NH2+]C[C@@H]2CC2(C)C)ccc1OC ZINC000732820751 572484817 /nfs/dbraw/zinc/48/48/17/572484817.db2.gz OGJYSQAMGOFQOC-HNNXBMFYSA-N 1 0 277.408 3.367 20 10 CGCDRO CCN(C)c1ccc(C[N@H+](C)Cc2ccco2)cc1 ZINC000741752939 572521975 /nfs/dbraw/zinc/52/19/75/572521975.db2.gz JSRSVFYRAADGNH-UHFFFAOYSA-N 1 0 258.365 3.368 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]Cc1ccc(Cl)nc1 ZINC000733324815 572555326 /nfs/dbraw/zinc/55/53/26/572555326.db2.gz DPTSWANKJIWAIF-UHFFFAOYSA-N 1 0 283.158 3.384 20 10 CGCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]Cc1cc[nH]n1 ZINC000742370256 572568007 /nfs/dbraw/zinc/56/80/07/572568007.db2.gz YXYLEYYTIXPKIT-UHFFFAOYSA-N 1 0 279.343 3.072 20 10 CGCDRO CCOc1ccc(C[NH2+][C@@H]2C[C@](C)(OC)C2(C)C)c(O)c1 ZINC000744448482 572753798 /nfs/dbraw/zinc/75/37/98/572753798.db2.gz JZVPEKIOLDFNGW-WBVHZDCISA-N 1 0 293.407 3.084 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(NC(N)=O)cc1)c1ccccc1O ZINC000192850838 620714389 /nfs/dbraw/zinc/71/43/89/620714389.db2.gz OCASTYRLAAMRLT-NWDGAFQWSA-N 1 0 299.374 3.295 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H]1CCC(C)(C)O1)c1ccccc1O ZINC000187842244 617641116 /nfs/dbraw/zinc/64/11/16/617641116.db2.gz XINPGRCKIONYFI-TZMCWYRMSA-N 1 0 263.381 3.391 20 10 CGCDRO Cc1ccc(O)c(C[N@H+](C)Cc2cccc(F)c2)c1 ZINC000160468548 618061952 /nfs/dbraw/zinc/06/19/52/618061952.db2.gz FZFRHERTAZMQFW-UHFFFAOYSA-N 1 0 259.324 3.472 20 10 CGCDRO Oc1ccc(F)cc1C[NH+]1CCC(C(F)F)CC1 ZINC000307875292 618153118 /nfs/dbraw/zinc/15/31/18/618153118.db2.gz FVANSEUSYQEHRV-UHFFFAOYSA-N 1 0 259.271 3.008 20 10 CGCDRO CC[C@H]1CCC[N@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000891708289 618252413 /nfs/dbraw/zinc/25/24/13/618252413.db2.gz WOAZLPZPIBWGJX-LBPRGKRZSA-N 1 0 279.380 3.031 20 10 CGCDRO CCn1ccc(C[NH2+][C@H](C)c2cc(Cl)ccc2O)n1 ZINC000840841058 618262014 /nfs/dbraw/zinc/26/20/14/618262014.db2.gz QYPAKLKZUABRIO-SNVBAGLBSA-N 1 0 279.771 3.113 20 10 CGCDRO COc1ccc(C[N@@H+]2CCC[C@H](C)[C@@H]2C)c(O)c1OC ZINC000891861547 618345467 /nfs/dbraw/zinc/34/54/67/618345467.db2.gz HKJAXZBAUWQEPH-RYUDHWBXSA-N 1 0 279.380 3.030 20 10 CGCDRO CO[C@@](C)([C@@H](C)[NH2+][C@@H](C)c1ccccc1O)C1CC1 ZINC000840858432 618692685 /nfs/dbraw/zinc/69/26/85/618692685.db2.gz BZFKRAHZKBLADW-OZVIIMIRSA-N 1 0 263.381 3.246 20 10 CGCDRO CO[C@@](C)([C@@H](C)[NH2+][C@H](C)c1cc(F)ccc1O)C1CC1 ZINC000840858852 618693528 /nfs/dbraw/zinc/69/35/28/618693528.db2.gz HCKHEOFGUGOADN-UVWXRNBGSA-N 1 0 281.371 3.386 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(NC(N)=O)cc2)c(O)c1 ZINC000184971789 625284331 /nfs/dbraw/zinc/28/43/31/625284331.db2.gz ASPWXQFGQTVGGD-GFCCVEGCSA-N 1 0 299.374 3.042 20 10 CGCDRO CCOc1ncccc1C[NH2+][C@H](C)c1ccc(C)cc1O ZINC000184985829 625287423 /nfs/dbraw/zinc/28/74/23/625287423.db2.gz MQEGNWXMCFCHIU-CYBMUJFWSA-N 1 0 286.375 3.345 20 10 CGCDRO CCC(CC)(CO)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000053047544 618746313 /nfs/dbraw/zinc/74/63/13/618746313.db2.gz XQIIXRVYPXGIJH-UHFFFAOYSA-N 1 0 290.451 3.318 20 10 CGCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)CC1(C)CCC1 ZINC000278270114 618760601 /nfs/dbraw/zinc/76/06/01/618760601.db2.gz RMZWPXOVWOCNDF-UHFFFAOYSA-N 1 0 288.435 3.145 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)c(O)c1OC ZINC000892448017 618788144 /nfs/dbraw/zinc/78/81/44/618788144.db2.gz ZPECRSKZKOMSTF-SGMGOOAPSA-N 1 0 293.407 3.324 20 10 CGCDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2ccccc2O)C12CCC2 ZINC000179586588 618795545 /nfs/dbraw/zinc/79/55/45/618795545.db2.gz IHNKQWUZKGCCAZ-HOTGVXAUSA-N 1 0 275.392 3.172 20 10 CGCDRO Cc1ccccc1CN1CC[NH+](Cc2ccccc2O)CC1 ZINC000179553573 618795557 /nfs/dbraw/zinc/79/55/57/618795557.db2.gz SMKRIRVZBIOQPP-UHFFFAOYSA-N 1 0 296.414 3.018 20 10 CGCDRO CCCN(CCC)c1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000162265473 618830515 /nfs/dbraw/zinc/83/05/15/618830515.db2.gz AXFIRJJEFUIAHP-UHFFFAOYSA-N 1 0 290.451 3.270 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+][C@H]2CCC2(C)C)c1O ZINC000310682552 618843127 /nfs/dbraw/zinc/84/31/27/618843127.db2.gz LJPDWEMWEAIOIV-LBPRGKRZSA-N 1 0 269.772 3.332 20 10 CGCDRO COc1ccnc([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2)c1 ZINC000924573341 618855793 /nfs/dbraw/zinc/85/57/93/618855793.db2.gz IASGHPVFDFPTJB-ZDUSSCGKSA-N 1 0 285.391 3.007 20 10 CGCDRO CCc1onc(C)c1C[NH2+]CCCSc1nccs1 ZINC000893044329 618983842 /nfs/dbraw/zinc/98/38/42/618983842.db2.gz GLESVHTVEPDLHD-UHFFFAOYSA-N 1 0 297.449 3.274 20 10 CGCDRO CC(C)Oc1ncccc1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000319244989 619105931 /nfs/dbraw/zinc/10/59/31/619105931.db2.gz NFHKWCYHAHLHNW-HNNXBMFYSA-N 1 0 298.386 3.352 20 10 CGCDRO CCCN(Cc1ccc(C#N)o1)c1ccc(C[NH3+])cc1 ZINC000194977680 619144848 /nfs/dbraw/zinc/14/48/48/619144848.db2.gz NRYSXIUOTAORLE-UHFFFAOYSA-N 1 0 269.348 3.027 20 10 CGCDRO COc1cccc(C[N@@H+]2C[C@@H](C)CCC[C@H]2C)c1O ZINC000093509258 619202285 /nfs/dbraw/zinc/20/22/85/619202285.db2.gz POTODADVWBDOCS-QWHCGFSZSA-N 1 0 263.381 3.411 20 10 CGCDRO CCOCCC1(C[NH2+]Cc2ccc(N(C)C)cc2C)CC1 ZINC000840937763 619227879 /nfs/dbraw/zinc/22/78/79/619227879.db2.gz XMCQGZUFDLUNNS-UHFFFAOYSA-N 1 0 290.451 3.357 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1Cc2ccccc2O1)c1ccc(N(C)C)cc1 ZINC000314508418 619229924 /nfs/dbraw/zinc/22/99/24/619229924.db2.gz VPBRBVZZNQOMLQ-RDTXWAMCSA-N 1 0 296.414 3.407 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@H+]1CCCC[C@H]1C[C@@H](C)O ZINC000840940600 619232638 /nfs/dbraw/zinc/23/26/38/619232638.db2.gz HPBLLUGLXTYXDF-QAPCUYQASA-N 1 0 290.451 3.186 20 10 CGCDRO CC(C)OCCCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000312059050 619240912 /nfs/dbraw/zinc/24/09/12/619240912.db2.gz BQROFJDGGZKWNK-AWEZNQCLSA-N 1 0 263.381 3.174 20 10 CGCDRO Cc1cccc(CCC[NH2+]Cc2ccc(N(C)C)cc2C)n1 ZINC000840945041 619243630 /nfs/dbraw/zinc/24/36/30/619243630.db2.gz WHKCKVIVIZFRSZ-UHFFFAOYSA-N 1 0 297.446 3.487 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1COc2ccccc21 ZINC000840946145 619246638 /nfs/dbraw/zinc/24/66/38/619246638.db2.gz GUCOQOUOWCPRLJ-MRXNPFEDSA-N 1 0 296.414 3.327 20 10 CGCDRO COCC[C@H](C)C[NH2+]Cc1ccc2ccccc2c1O ZINC000840955901 619263815 /nfs/dbraw/zinc/26/38/15/619263815.db2.gz ZZUIVVQQGNVXJU-ZDUSSCGKSA-N 1 0 273.376 3.308 20 10 CGCDRO CC(C)(C[NH2+]Cc1cc(Cl)ccc1O)OCC1CC1 ZINC000840960930 619280450 /nfs/dbraw/zinc/28/04/50/619280450.db2.gz YBUMJDUCLSYZKL-UHFFFAOYSA-N 1 0 283.799 3.340 20 10 CGCDRO C[C@H]([NH2+]CCOc1ccccc1)c1cc(F)ccc1O ZINC000094617939 619285391 /nfs/dbraw/zinc/28/53/91/619285391.db2.gz XOYFGIZIEPPYBX-LBPRGKRZSA-N 1 0 275.323 3.261 20 10 CGCDRO COc1cccc(C[NH2+]Cc2cc(C)cc(OC)c2O)c1 ZINC000894139124 619389929 /nfs/dbraw/zinc/38/99/29/619389929.db2.gz BKARQWAFVUWEFD-UHFFFAOYSA-N 1 0 287.359 3.008 20 10 CGCDRO C[C@H](O)C[C@H]1CCCCC[N@@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000894748590 619619891 /nfs/dbraw/zinc/61/98/91/619619891.db2.gz UHNRWEBQEDLWQF-SMDDNHRTSA-N 1 0 299.361 3.186 20 10 CGCDRO C[C@@H]([NH2+]C1CC2(C1)CO[C@H](C)C2)c1ccccc1O ZINC000895131112 619744944 /nfs/dbraw/zinc/74/49/44/619744944.db2.gz TXIWIXVMOMKWER-LFOFOYIVSA-N 1 0 261.365 3.000 20 10 CGCDRO COc1ccccc1C[NH2+][C@H](C)c1ccccc1O ZINC000019903176 619763942 /nfs/dbraw/zinc/76/39/42/619763942.db2.gz CTMCEVJXFALAGS-GFCCVEGCSA-N 1 0 257.333 3.252 20 10 CGCDRO CC(C)CC[C@](C)(O)C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000185528335 625370548 /nfs/dbraw/zinc/37/05/48/625370548.db2.gz XEHQIUMNDNMPAV-WBMJQRKESA-N 1 0 283.387 3.369 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@](C)(O)CCC(C)C)c1 ZINC000185527944 625370615 /nfs/dbraw/zinc/37/06/15/625370615.db2.gz FYFDAWISSZMVHU-SUMWQHHRSA-N 1 0 295.423 3.239 20 10 CGCDRO Oc1cccc(Cl)c1C[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000895847317 619896344 /nfs/dbraw/zinc/89/63/44/619896344.db2.gz UFZLXEKFMISPTB-NHYWBVRUSA-N 1 0 281.783 3.047 20 10 CGCDRO Oc1ccccc1C[N@@H+]1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC000896230837 619970725 /nfs/dbraw/zinc/97/07/25/619970725.db2.gz LMIWGYNSQXEMQF-FUHWJXTLSA-N 1 0 265.356 3.166 20 10 CGCDRO Cc1cccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1O ZINC000896512377 620016469 /nfs/dbraw/zinc/01/64/69/620016469.db2.gz PKKJYVRWIMTTPA-GFCCVEGCSA-N 1 0 286.331 3.460 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]Cc1nc2c(s1)CCCC2 ZINC000896825405 620071537 /nfs/dbraw/zinc/07/15/37/620071537.db2.gz RNNZPVIAHRBPRC-UHFFFAOYSA-N 1 0 288.416 3.326 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@H]2CCS[C@H](C)C2)c1O ZINC000896953315 620112761 /nfs/dbraw/zinc/11/27/61/620112761.db2.gz XVRLMQBKKNFQPK-YPMHNXCESA-N 1 0 281.421 3.083 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccccc2CO)cc1 ZINC000305110410 620201385 /nfs/dbraw/zinc/20/13/85/620201385.db2.gz FQBCJSDIVXQGPU-HNNXBMFYSA-N 1 0 298.430 3.486 20 10 CGCDRO COc1cccc(O)c1CNc1ccc([C@H](C)[NH3+])cc1 ZINC000841028264 620407072 /nfs/dbraw/zinc/40/70/72/620407072.db2.gz NVRFMQZEELWCAH-NSHDSACASA-N 1 0 272.348 3.033 20 10 CGCDRO CCCOc1cccc(C[NH2+]CCc2ccc(N)cc2)c1 ZINC000841034450 620414874 /nfs/dbraw/zinc/41/48/74/620414874.db2.gz BGOJQXCBDFPRQV-UHFFFAOYSA-N 1 0 284.403 3.390 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H]2CCOC23CCCCC3)c1O ZINC000897729181 620428327 /nfs/dbraw/zinc/42/83/27/620428327.db2.gz UMGFHQUJSAPEJE-OAHLLOKOSA-N 1 0 275.392 3.282 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H]2CCSC(C)(C)C2)c1O ZINC000897797602 620433678 /nfs/dbraw/zinc/43/36/78/620433678.db2.gz JKZUYFAWFTWHLW-CYBMUJFWSA-N 1 0 265.422 3.464 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2cncs2)c1 ZINC000897930214 620450395 /nfs/dbraw/zinc/45/03/95/620450395.db2.gz KYAFVSQOZFAAQA-VHSXEESVSA-N 1 0 278.377 3.269 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2cncs2)c1 ZINC000897930213 620450417 /nfs/dbraw/zinc/45/04/17/620450417.db2.gz KYAFVSQOZFAAQA-UWVGGRQHSA-N 1 0 278.377 3.269 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2C[C@@H]3CCC[C@H]23)c1 ZINC000897953945 620454428 /nfs/dbraw/zinc/45/44/28/620454428.db2.gz VPCLOZPPUPWJBO-TUKIKUTGSA-N 1 0 261.365 3.069 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCCC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000898516245 620595494 /nfs/dbraw/zinc/59/54/94/620595494.db2.gz ORSVBLZAYWFRDF-HZPDHXFCSA-N 1 0 289.419 3.339 20 10 CGCDRO CCc1onc(C)c1C[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000927140598 620600454 /nfs/dbraw/zinc/60/04/54/620600454.db2.gz RBXUITXRIXYVCZ-NSHDSACASA-N 1 0 274.364 3.410 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2Cc3ccccc3[C@H]2N)c(O)c1C ZINC000902437045 621319396 /nfs/dbraw/zinc/31/93/96/621319396.db2.gz GYZWEZAUHQIURC-FSPWUOQZSA-N 1 0 296.414 3.284 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]CC[C@@H]2CC[C@H]3C[C@H]32)c1O ZINC000903165926 621610021 /nfs/dbraw/zinc/61/00/21/621610021.db2.gz YPRNHUCWYRJEAY-ABHRYQDASA-N 1 0 275.392 3.488 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCN(C)[C@H]1C)c1ccc2ccccc2c1O ZINC000903302092 621668436 /nfs/dbraw/zinc/66/84/36/621668436.db2.gz YULUXJVKORMRPY-DCGLDWPTSA-N 1 0 284.403 3.289 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1cncs1 ZINC000903311324 621683591 /nfs/dbraw/zinc/68/35/91/621683591.db2.gz NREVVAUHJQIEFQ-GXSJLCMTSA-N 1 0 260.362 3.187 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCOC2CCSCC2)c(O)c1 ZINC000903446142 621757069 /nfs/dbraw/zinc/75/70/69/621757069.db2.gz MQJVSLWJKIYDQJ-CYBMUJFWSA-N 1 0 295.448 3.263 20 10 CGCDRO CC(C)(C)CC(C)(C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000042880005 621885355 /nfs/dbraw/zinc/88/53/55/621885355.db2.gz HABSZMMXDRCQIB-UHFFFAOYSA-N 1 0 279.380 3.425 20 10 CGCDRO C[C@@H]([NH2+]CCCSc1nccs1)c1ccncc1 ZINC000156672921 622834037 /nfs/dbraw/zinc/83/40/37/622834037.db2.gz DJOZPNVGZRFDRH-LLVKDONJSA-N 1 0 279.434 3.371 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CCS[C@@H](C(C)C)C2)c1O ZINC000164427393 622834950 /nfs/dbraw/zinc/83/49/50/622834950.db2.gz SBAOCYHRXQAVNB-OAHLLOKOSA-N 1 0 295.448 3.283 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCOCCC(C)C)c1 ZINC000045094060 622843644 /nfs/dbraw/zinc/84/36/44/622843644.db2.gz FAYKBBVFQRXPOE-AWEZNQCLSA-N 1 0 265.397 3.414 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]Cc1ccccc1Cl ZINC000083482947 625603420 /nfs/dbraw/zinc/60/34/20/625603420.db2.gz GJBYBURFIBUFPS-UHFFFAOYSA-N 1 0 265.715 3.475 20 10 CGCDRO C[C@H]1CCCC[C@@H]1C[NH2+]Cc1cc(F)ccc1O ZINC000226586471 622985815 /nfs/dbraw/zinc/98/58/15/622985815.db2.gz AQKJSTUCCUUWNZ-NWDGAFQWSA-N 1 0 251.345 3.447 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1CCCCS1)c1cc(F)ccc1O ZINC000158033543 622994057 /nfs/dbraw/zinc/99/40/57/622994057.db2.gz FVSRFIWIPZNHLC-ZYHUDNBSSA-N 1 0 269.385 3.468 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1CCCCS1)c1cc(F)ccc1O ZINC000158033404 622995079 /nfs/dbraw/zinc/99/50/79/622995079.db2.gz FVSRFIWIPZNHLC-CMPLNLGQSA-N 1 0 269.385 3.468 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CC2(O)CCCCCC2)c(O)c1 ZINC000087088865 623022135 /nfs/dbraw/zinc/02/21/35/623022135.db2.gz GULQBFBPXCVCOF-AWEZNQCLSA-N 1 0 277.408 3.437 20 10 CGCDRO CCOc1cccc(C[NH2+][C@H](C)CCSC)c1O ZINC000076772196 623059996 /nfs/dbraw/zinc/05/99/96/623059996.db2.gz PJCLUYXXRQYGBN-LLVKDONJSA-N 1 0 269.410 3.022 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H](C)[NH3+])c1cc(Cl)cc(Cl)c1[O-] ZINC000817971982 625629072 /nfs/dbraw/zinc/62/90/72/625629072.db2.gz IORKTPNSVUEKCU-RDDDGLTNSA-N 1 0 277.195 3.087 20 10 CGCDRO CCN(CC)c1ccc(CNC(=[NH2+])NC2CCCC2)cc1 ZINC000171144683 623137903 /nfs/dbraw/zinc/13/79/03/623137903.db2.gz AOYVNKAOYOMBBB-UHFFFAOYSA-N 1 0 288.439 3.089 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@](C)(O)C(C)C)cc1 ZINC000171842959 623193955 /nfs/dbraw/zinc/19/39/55/623193955.db2.gz OZJLQMGSKJSUQU-QGZVFWFLSA-N 1 0 278.440 3.029 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](CCO)C(C)C)cc1 ZINC000230689174 623265335 /nfs/dbraw/zinc/26/53/35/623265335.db2.gz VDQZSJPLYZIPKN-KRWDZBQOSA-N 1 0 278.440 3.029 20 10 CGCDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])N1CCCCC1 ZINC000062747840 623266896 /nfs/dbraw/zinc/26/68/96/623266896.db2.gz MXURJLWNADMNKE-STQMWFEESA-N 1 0 280.387 3.056 20 10 CGCDRO C[C@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)[C@@H]1c1ccccc1 ZINC000173454952 623326676 /nfs/dbraw/zinc/32/66/76/623326676.db2.gz KZPZRWUVTRAEIZ-SGTLLEGYSA-N 1 0 297.354 3.314 20 10 CGCDRO COc1cccc(C[N@H+](C)C[C@H]2CC=CCC2)c1O ZINC000753574355 623416864 /nfs/dbraw/zinc/41/68/64/623416864.db2.gz CXBJUNMRUMVDOX-ZDUSSCGKSA-N 1 0 261.365 3.189 20 10 CGCDRO CC(C)(C)C(C)(C)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000312620453 623559815 /nfs/dbraw/zinc/55/98/15/623559815.db2.gz BAVHRMRDJTVSOM-UHFFFAOYSA-N 1 0 279.380 3.283 20 10 CGCDRO C[C@H](CCO)[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000151906332 623583496 /nfs/dbraw/zinc/58/34/96/623583496.db2.gz NGDMMQYRDNVWEH-CABCVRRESA-N 1 0 276.424 3.098 20 10 CGCDRO CCC[C@H]1C[N@H+](Cc2cc(C)cc(C)c2O)CCO1 ZINC000152471660 623667662 /nfs/dbraw/zinc/66/76/62/623667662.db2.gz OQUYFTWTFYIKGH-HNNXBMFYSA-N 1 0 263.381 3.010 20 10 CGCDRO C[C@H](O)c1ccc(C[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC000921583348 625690792 /nfs/dbraw/zinc/69/07/92/625690792.db2.gz NJHFXKOVDFWRKY-AWEZNQCLSA-N 1 0 297.398 3.355 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H]2c2cccn2C)cc1 ZINC000179703814 624678447 /nfs/dbraw/zinc/67/84/47/624678447.db2.gz LWMZRFDJIVGRPG-SFHVURJKSA-N 1 0 283.419 3.428 20 10 CGCDRO C[N@H+](Cc1cnc(-c2ccccc2)[nH]1)Cc1ccccc1O ZINC000179803738 624687244 /nfs/dbraw/zinc/68/72/44/624687244.db2.gz INXAIRKLZPLCGS-UHFFFAOYSA-N 1 0 293.370 3.414 20 10 CGCDRO Oc1ccccc1C[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000238103344 624734156 /nfs/dbraw/zinc/73/41/56/624734156.db2.gz MARAZLSULXMAJG-OAHLLOKOSA-N 1 0 282.387 3.008 20 10 CGCDRO COc1ccc(O)c(C[N@H+](C)[C@H]2C[C@@](C)(OC)C2(C)C)c1 ZINC000180672704 624766786 /nfs/dbraw/zinc/76/67/86/624766786.db2.gz LFAKTAUXUDXLKU-DOTOQJQBSA-N 1 0 293.407 3.036 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@H](C)c2nc(C)cs2)c1 ZINC000069168216 624801782 /nfs/dbraw/zinc/80/17/82/624801782.db2.gz IFHDMHFFAZSKBY-LLVKDONJSA-N 1 0 292.404 3.407 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccncc2Cl)c1 ZINC000182435207 625000926 /nfs/dbraw/zinc/00/09/26/625000926.db2.gz LDEAEMQFKURJHN-SNVBAGLBSA-N 1 0 292.766 3.300 20 10 CGCDRO CC[C@H]([NH2+]Cc1scnc1C)c1ccccc1O ZINC000071212388 625065204 /nfs/dbraw/zinc/06/52/04/625065204.db2.gz KOFZLZWUARSFEM-LBPRGKRZSA-N 1 0 262.378 3.398 20 10 CGCDRO COc1cc(Cl)cc(C[NH+]2[C@@H](C)CC[C@@H]2C)c1O ZINC000184702616 625263462 /nfs/dbraw/zinc/26/34/62/625263462.db2.gz BZWNEMNEPXHIAB-UWVGGRQHSA-N 1 0 269.772 3.427 20 10 CGCDRO C[C@](O)(C[NH2+]Cc1ccc2c(c1)CCCO2)c1ccccc1 ZINC000921741510 625859786 /nfs/dbraw/zinc/85/97/86/625859786.db2.gz WYCKFMQURLGKMT-IBGZPJMESA-N 1 0 297.398 3.009 20 10 CGCDRO C[C@@H]([NH2+]CCc1nn(C)c2ccccc12)c1ccccc1O ZINC000186477411 625874389 /nfs/dbraw/zinc/87/43/89/625874389.db2.gz VHRBLFXGTHBGHG-CYBMUJFWSA-N 1 0 295.386 3.172 20 10 CGCDRO CCC(CC)(CCO)C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921808180 625884005 /nfs/dbraw/zinc/88/40/05/625884005.db2.gz VBWWCSBNWMXPKM-UHFFFAOYSA-N 1 0 291.435 3.290 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)[C@@H](O)c1ccccc1 ZINC000922136429 625971814 /nfs/dbraw/zinc/97/18/14/625971814.db2.gz WQZQWOALXQJILN-AUUYWEPGSA-N 1 0 297.398 3.223 20 10 CGCDRO C[C@@H](CC[NH2+][C@@H](C)c1ccc(F)cc1[O-])[NH+]1CCCCC1 ZINC000186545632 626017320 /nfs/dbraw/zinc/01/73/20/626017320.db2.gz OPWTWRZCLPYGJE-KBPBESRZSA-N 1 0 294.414 3.446 20 10 CGCDRO Cc1cnc(C[NH2+]Cc2cc(C)c(C)cc2O)c(C)c1 ZINC000922740996 626039802 /nfs/dbraw/zinc/03/98/02/626039802.db2.gz VTYZOEKPYOTLAB-UHFFFAOYSA-N 1 0 270.376 3.311 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H]2C[C@H]2C(F)(F)F)c1 ZINC000922732680 626040772 /nfs/dbraw/zinc/04/07/72/626040772.db2.gz UOMFRCSAGVJWQR-JOYOIKCWSA-N 1 0 289.297 3.079 20 10 CGCDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)CCS1 ZINC000922836215 626053466 /nfs/dbraw/zinc/05/34/66/626053466.db2.gz KSFYWUCWCQOZSC-AAEUAGOBSA-N 1 0 282.428 3.265 20 10 CGCDRO CCOc1cccc(C[NH2+][C@H]2CCS[C@@H](C)C2)c1O ZINC000922844024 626056718 /nfs/dbraw/zinc/05/67/18/626056718.db2.gz VBVJKCIFFJQODF-AAEUAGOBSA-N 1 0 281.421 3.165 20 10 CGCDRO CCc1onc(C)c1C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000922988047 626116078 /nfs/dbraw/zinc/11/60/78/626116078.db2.gz JENFLRBLSOPTCY-UHFFFAOYSA-N 1 0 291.370 3.040 20 10 CGCDRO C[C@H]([NH2+][C@@H](C)C(C)(C)O)c1cc2c(cc1O)CCCC2 ZINC000756820370 626168893 /nfs/dbraw/zinc/16/88/93/626168893.db2.gz VWUSWIDFYACDDV-RYUDHWBXSA-N 1 0 277.408 3.081 20 10 CGCDRO CO[C@H](C[NH2+][C@H](C)c1ccc(C)c(C)c1O)C(F)(F)F ZINC000756835518 626169704 /nfs/dbraw/zinc/16/97/04/626169704.db2.gz NTYVXWYOGDENHP-ZYHUDNBSSA-N 1 0 291.313 3.237 20 10 CGCDRO CN(C)c1ccc(C[NH2+]Cc2ccc3c(n2)CCC3)cc1F ZINC000838917573 626278115 /nfs/dbraw/zinc/27/81/15/626278115.db2.gz IDTVYPQSWBOUDW-UHFFFAOYSA-N 1 0 299.393 3.065 20 10 CGCDRO COCCC1(C)C[NH+](Cc2ccc3ccccc3c2O)C1 ZINC000839144587 626316982 /nfs/dbraw/zinc/31/69/82/626316982.db2.gz ZCUCBWXDPYVHOE-UHFFFAOYSA-N 1 0 285.387 3.404 20 10 CGCDRO CC[C@@H]([NH2+][C@H]1C[C@@H](OC(C)C)C1)c1ccccc1O ZINC000839147563 626317041 /nfs/dbraw/zinc/31/70/41/626317041.db2.gz NBRUTWAHBPCKBJ-VNHYZAJKSA-N 1 0 263.381 3.389 20 10 CGCDRO CCN(CC)c1ccc(C[NH+]2CC3(CC(F)C3)C2)cc1 ZINC000839139407 626322575 /nfs/dbraw/zinc/32/25/75/626322575.db2.gz GCZUMPQEQKEDCC-UHFFFAOYSA-N 1 0 276.399 3.467 20 10 CGCDRO Oc1cc2c(cc1C[NH2+]C1CCC(C(F)F)CC1)OCO2 ZINC000839178794 626325737 /nfs/dbraw/zinc/32/57/37/626325737.db2.gz CNNQHYNXMYJMQL-UHFFFAOYSA-N 1 0 299.317 3.034 20 10 CGCDRO CCN(CC)c1ccc(CN[C@@H](C)c2ccn(C)n2)cc1 ZINC000839190902 626328046 /nfs/dbraw/zinc/32/80/46/626328046.db2.gz KZEIQEDWJNRYTF-AWEZNQCLSA-N 1 0 286.423 3.117 20 10 CGCDRO Oc1ccc(Br)cc1C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000839193052 626329294 /nfs/dbraw/zinc/32/92/94/626329294.db2.gz YDGAGQITFSXNAC-ICCXJUOJSA-N 1 0 296.208 3.433 20 10 CGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)c1O ZINC000839197386 626331654 /nfs/dbraw/zinc/33/16/54/626331654.db2.gz YUYJYEIJDXAPTJ-ONERCXAPSA-N 1 0 277.339 3.012 20 10 CGCDRO Cc1nc(C(C)(C)[NH2+]Cc2ccccc2O)sc1C ZINC000124730407 634495701 /nfs/dbraw/zinc/49/57/01/634495701.db2.gz MLWGVPBKYOBGGI-UHFFFAOYSA-N 1 0 276.405 3.490 20 10 CGCDRO CCOc1ccc(C[NH2+]CCC2=CCCC2)c(O)c1 ZINC000753849882 626467703 /nfs/dbraw/zinc/46/77/03/626467703.db2.gz GWFGLRFMPROSQU-UHFFFAOYSA-N 1 0 261.365 3.381 20 10 CGCDRO C[C@H](Cc1ccoc1)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000754047249 626472902 /nfs/dbraw/zinc/47/29/02/626472902.db2.gz QRQOCNSDNPANDM-CYBMUJFWSA-N 1 0 258.365 3.066 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000754739618 626585756 /nfs/dbraw/zinc/58/57/56/626585756.db2.gz FZAKXMFXSPYRTK-JKSUJKDBSA-N 1 0 289.419 3.258 20 10 CGCDRO CC[C@H](C)C[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000755909985 626658934 /nfs/dbraw/zinc/65/89/34/626658934.db2.gz VXLKVAVYIVVHOD-HNNXBMFYSA-N 1 0 276.424 3.253 20 10 CGCDRO C[C@H]1CC[N@H+](Cc2c(O)cccc2Cl)CCS1 ZINC000756147809 626681239 /nfs/dbraw/zinc/68/12/39/626681239.db2.gz VRVYUSSTWBKMCA-JTQLQIEISA-N 1 0 271.813 3.373 20 10 CGCDRO C[C@H]1C[C@@H]([NH2+]CCCOCC2CC2)c2c1c(F)ccc2O ZINC000756361460 626696143 /nfs/dbraw/zinc/69/61/43/626696143.db2.gz ZZOOHXJEBFKAAV-SMDDNHRTSA-N 1 0 293.382 3.486 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccnc2N(C)C)c(O)c1C ZINC000756411907 626702560 /nfs/dbraw/zinc/70/25/60/626702560.db2.gz QZDGERSFWWURKQ-CQSZACIVSA-N 1 0 299.418 3.321 20 10 CGCDRO C[C@@H]([NH2+]CCN1CCC(C)CC1)c1cc(Cl)ccc1O ZINC000756413087 626703456 /nfs/dbraw/zinc/70/34/56/626703456.db2.gz BOUVWWBQEOGHTL-CYBMUJFWSA-N 1 0 296.842 3.428 20 10 CGCDRO C[C@H]([NH2+]CCN1CCC[C@H](C)C1)c1cc(Cl)ccc1O ZINC000756417110 626704007 /nfs/dbraw/zinc/70/40/07/626704007.db2.gz PKFDJNFKTNLUFP-STQMWFEESA-N 1 0 296.842 3.428 20 10 CGCDRO C[C@@H](C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)N(C)C1CC1 ZINC000756551817 626713830 /nfs/dbraw/zinc/71/38/30/626713830.db2.gz XZTVYBXLJCZSRD-SUNKGSAMSA-N 1 0 292.398 3.152 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(C(C)C)no2)c1 ZINC000756574583 626716921 /nfs/dbraw/zinc/71/69/21/626716921.db2.gz XRZWWTAMJKWWKB-NSHDSACASA-N 1 0 290.363 3.363 20 10 CGCDRO CC[C@H](C)[C@](C)(O)C[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000756576413 626717089 /nfs/dbraw/zinc/71/70/89/626717089.db2.gz NMCXEJJTEIYVAU-DXCKQFNASA-N 1 0 279.424 3.457 20 10 CGCDRO CC(C)[C@@H](CCO)[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756610914 626720854 /nfs/dbraw/zinc/72/08/54/626720854.db2.gz URTJYTYCSPKKIN-RAIGVLPGSA-N 1 0 281.371 3.076 20 10 CGCDRO C[C@H]1C[C@H]([NH2+]CC(C)(C)CCO)c2c1c(F)ccc2O ZINC000756619905 626721173 /nfs/dbraw/zinc/72/11/73/626721173.db2.gz ZAXYZZQJHJGKMV-JQWIXIFHSA-N 1 0 281.371 3.078 20 10 CGCDRO C[C@@H]1CCN(CC[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)C1 ZINC000756630410 626722167 /nfs/dbraw/zinc/72/21/67/626722167.db2.gz VNYATTDLOMJFOS-YRGRVCCFSA-N 1 0 292.398 3.011 20 10 CGCDRO C[C@H]1C[C@@H]([NH2+]CCc2ccncc2)c2c1c(F)ccc2O ZINC000756660089 626725130 /nfs/dbraw/zinc/72/51/30/626725130.db2.gz RRXDVRONWLEGSP-SMDDNHRTSA-N 1 0 286.350 3.307 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]CC2(C)CCOCC2)c2c1c(F)ccc2O ZINC000756747592 626729149 /nfs/dbraw/zinc/72/91/49/626729149.db2.gz RMVZCQIUZCZSIS-YPMHNXCESA-N 1 0 293.382 3.486 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC[C@@H](OC)C2)c1 ZINC000756759076 626729904 /nfs/dbraw/zinc/72/99/04/626729904.db2.gz IJOPIWAOZFADIB-YNEHKIRRSA-N 1 0 279.380 3.009 20 10 CGCDRO COC[C@H]([NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F)C1CC1 ZINC000756769321 626730492 /nfs/dbraw/zinc/73/04/92/626730492.db2.gz QBDHLRXDDHLUOW-BIMULSAOSA-N 1 0 279.355 3.094 20 10 CGCDRO COC[C@H]([NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F)C1CC1 ZINC000756769330 626730810 /nfs/dbraw/zinc/73/08/10/626730810.db2.gz QBDHLRXDDHLUOW-XDTLVQLUSA-N 1 0 279.355 3.094 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCOC2CCC2)c(O)c1C ZINC000756836453 626736170 /nfs/dbraw/zinc/73/61/70/626736170.db2.gz ARTZCZKMONIZCR-CYBMUJFWSA-N 1 0 263.381 3.229 20 10 CGCDRO COCC1([NH2+][C@H](C)c2ccc3ccccc3c2O)CC1 ZINC000756849768 626737396 /nfs/dbraw/zinc/73/73/96/626737396.db2.gz DXMDQFFDPJEPGM-GFCCVEGCSA-N 1 0 271.360 3.375 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]C2CC(F)(F)C2)c2c1c(F)ccc2O ZINC000760039991 626937511 /nfs/dbraw/zinc/93/75/11/626937511.db2.gz RMTHUTYHBHEBKT-GMSGAONNSA-N 1 0 271.282 3.467 20 10 CGCDRO COc1ccc2oc(C[NH2+]Cc3ccccc3O)cc2c1 ZINC000763462252 627159605 /nfs/dbraw/zinc/15/96/05/627159605.db2.gz IXNQSSGWVWEBKG-UHFFFAOYSA-N 1 0 283.327 3.437 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H]2CCCN2CC)cc1 ZINC000764593852 627213688 /nfs/dbraw/zinc/21/36/88/627213688.db2.gz HXDKKPFQMNUKHV-QAPCUYQASA-N 1 0 289.467 3.278 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H]2CCCN2CC)cc1 ZINC000764593854 627213804 /nfs/dbraw/zinc/21/38/04/627213804.db2.gz HXDKKPFQMNUKHV-YJBOKZPZSA-N 1 0 289.467 3.278 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccco2)cc1 ZINC000764768662 627222454 /nfs/dbraw/zinc/22/24/54/627222454.db2.gz MMRFXZGCYRBLBW-XJKSGUPXSA-N 1 0 288.391 3.120 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CC[C@H]2CCCO2)cc1 ZINC000764841829 627228930 /nfs/dbraw/zinc/22/89/30/627228930.db2.gz USPIEGICXKQONE-RHSMWYFYSA-N 1 0 276.424 3.362 20 10 CGCDRO COc1ccc(N2CCC([NH2+]CC3CCCC3)CC2)cc1 ZINC000765319818 627245911 /nfs/dbraw/zinc/24/59/11/627245911.db2.gz BTPXYNARYPHIIH-UHFFFAOYSA-N 1 0 288.435 3.444 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCN(C)C1)c1ccc(N2CCCCC2)cc1 ZINC000765767473 627269356 /nfs/dbraw/zinc/26/93/56/627269356.db2.gz KHNKQQMPWBOTQO-RDJZCZTQSA-N 1 0 287.451 3.032 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]CCOCC2CCC2)c2c1c(F)ccc2O ZINC000765805905 627272413 /nfs/dbraw/zinc/27/24/13/627272413.db2.gz ALEFERYAAVSPKX-RISCZKNCSA-N 1 0 293.382 3.486 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2C[C@@H](OC(C)C)C2(C)C)c1 ZINC000766091329 627295024 /nfs/dbraw/zinc/29/50/24/627295024.db2.gz XNPKKKGSSINYMQ-HZPDHXFCSA-N 1 0 277.408 3.382 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H](OC)C(C)C)cc1 ZINC000766366823 627323544 /nfs/dbraw/zinc/32/35/44/627323544.db2.gz PKPZDRYBPICCAO-PBHICJAKSA-N 1 0 278.440 3.464 20 10 CGCDRO C[C@]1(C[NH2+]Cc2c(O)cccc2Cl)CCO[C@H]1C1CC1 ZINC000767195512 627389250 /nfs/dbraw/zinc/38/92/50/627389250.db2.gz JTOTWULZBPQVKB-JKSUJKDBSA-N 1 0 295.810 3.340 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCN2CCCC(C)(C)C2)cc1C ZINC000767738454 627433759 /nfs/dbraw/zinc/43/37/59/627433759.db2.gz KONHTGNWRQSWRM-UHFFFAOYSA-N 1 0 290.451 3.221 20 10 CGCDRO CSC[C@@H]1CCC[N@@H+]1Cc1c(O)ccc2ccncc21 ZINC000767774703 627436119 /nfs/dbraw/zinc/43/61/19/627436119.db2.gz KUTWUZLXKZEWBC-ZDUSSCGKSA-N 1 0 288.416 3.268 20 10 CGCDRO Oc1ccccc1C[N@@H+](Cc1ccoc1)C[C@H]1CCCO1 ZINC000768163303 627465122 /nfs/dbraw/zinc/46/51/22/627465122.db2.gz XXTQJIIDPDBERG-MRXNPFEDSA-N 1 0 287.359 3.166 20 10 CGCDRO CCCN(CCC)c1ccc(C[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000768239640 627469777 /nfs/dbraw/zinc/46/97/77/627469777.db2.gz JISBYIBKBJTSBM-GOSISDBHSA-N 1 0 290.451 3.270 20 10 CGCDRO CC1=CC[N@H+](Cc2cc3c(cc2O)CCCC3)CC1 ZINC000768464589 627481270 /nfs/dbraw/zinc/48/12/70/627481270.db2.gz CLUQQUFVIVCNKP-UHFFFAOYSA-N 1 0 257.377 3.423 20 10 CGCDRO Cc1cc([C@@H]2CCC[N@@H+]2Cc2cc(C)ccc2O)on1 ZINC000768876999 627505392 /nfs/dbraw/zinc/50/53/92/627505392.db2.gz FTXMHHHMALGXOZ-AWEZNQCLSA-N 1 0 272.348 3.334 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CCOc3ccccc3C2)c1 ZINC000768941148 627510703 /nfs/dbraw/zinc/51/07/03/627510703.db2.gz PMMHOJYGCSZTRI-UHFFFAOYSA-N 1 0 299.370 3.186 20 10 CGCDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cc(C)ccc2O)C1(C)C ZINC000769476247 627558373 /nfs/dbraw/zinc/55/83/73/627558373.db2.gz XMIAOWROEAZODB-HZPDHXFCSA-N 1 0 277.408 3.336 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](C3CC3)C2)cc1F ZINC000769516997 627562467 /nfs/dbraw/zinc/56/24/67/627562467.db2.gz XXYISPQSYHUEPT-CQSZACIVSA-N 1 0 262.372 3.124 20 10 CGCDRO CC(C)[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000770306241 627612380 /nfs/dbraw/zinc/61/23/80/627612380.db2.gz LOPWHUHCXXUWSZ-KRWDZBQOSA-N 1 0 288.435 3.001 20 10 CGCDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(Cc2ccccc2O)C1 ZINC000770510144 627623829 /nfs/dbraw/zinc/62/38/29/627623829.db2.gz YSWACJRUDDBRJA-UXLLHSPISA-N 1 0 288.435 3.229 20 10 CGCDRO CC[C@H]([NH2+]CC1(CCO)CCC1)c1ccc(N(C)C)cc1 ZINC000773071365 627850745 /nfs/dbraw/zinc/85/07/45/627850745.db2.gz UHVCYPIDWQXGNE-KRWDZBQOSA-N 1 0 290.451 3.346 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)c1ccc[nH]1 ZINC000773113975 627857626 /nfs/dbraw/zinc/85/76/26/627857626.db2.gz BYDJQHNFFKJSTR-QWHCGFSZSA-N 1 0 257.381 3.493 20 10 CGCDRO CC[C@@H](CSC)[N@H+](C)Cc1cc2c(cc1O)CCC2 ZINC000773254328 627869546 /nfs/dbraw/zinc/86/95/46/627869546.db2.gz GOSPHNIYLVVRMK-HNNXBMFYSA-N 1 0 279.449 3.454 20 10 CGCDRO CCN(C)c1ccc(C[N@H+](C[C@H]2CCOC2)C2CC2)cc1 ZINC000773728276 627909010 /nfs/dbraw/zinc/90/90/10/627909010.db2.gz AHEOMHADLOWRCB-MRXNPFEDSA-N 1 0 288.435 3.144 20 10 CGCDRO CCN(C)c1ccc(CN2CC[C@@H]([NH+](CC)CC)C2)cc1 ZINC000773754080 627911539 /nfs/dbraw/zinc/91/15/39/627911539.db2.gz KJSPEWDBWSRQCL-GOSISDBHSA-N 1 0 289.467 3.059 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCCCN2C2CC2)c1 ZINC000774379188 627984377 /nfs/dbraw/zinc/98/43/77/627984377.db2.gz NZJRWOSZEJOENO-HOCLYGCPSA-N 1 0 288.435 3.368 20 10 CGCDRO Cc1ccc2nc(C[NH2+][C@@H](C)c3ccccc3O)cn2c1 ZINC000775137062 628067023 /nfs/dbraw/zinc/06/70/23/628067023.db2.gz SEFHDQYIXGFOBR-ZDUSSCGKSA-N 1 0 281.359 3.199 20 10 CGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@@H](C)C[C@@H]1CCOC1 ZINC000775139733 628067060 /nfs/dbraw/zinc/06/70/60/628067060.db2.gz GDCFHZWQHBZEKK-HOCLYGCPSA-N 1 0 276.424 3.177 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H](CC(F)(F)F)C2)c1 ZINC000775136909 628067245 /nfs/dbraw/zinc/06/72/45/628067245.db2.gz ORYGIQMVFIARME-LLVKDONJSA-N 1 0 273.298 3.475 20 10 CGCDRO CC[C@H]([NH2+]C1CCN(CC(F)F)CC1)c1ccccc1O ZINC000775500466 628100785 /nfs/dbraw/zinc/10/07/85/628100785.db2.gz POBUNIPUOPLKMN-AWEZNQCLSA-N 1 0 298.377 3.162 20 10 CGCDRO CC[C@@H]([NH2+]C[C@](C)(O)C(C)C)c1cc(Cl)ccc1O ZINC000775503675 628101634 /nfs/dbraw/zinc/10/16/34/628101634.db2.gz MDUTYFYBVYXSSD-HIFRSBDPSA-N 1 0 285.815 3.493 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1cc(Cl)ccc1O ZINC000775512810 628102712 /nfs/dbraw/zinc/10/27/12/628102712.db2.gz BTODERVGIWTNLS-ZKYQVNSYSA-N 1 0 281.783 3.023 20 10 CGCDRO CC[C@H]([NH2+][C@@H](CO)CC1CC1)c1cc(Cl)ccc1O ZINC000775523562 628103631 /nfs/dbraw/zinc/10/36/31/628103631.db2.gz LADRFPMWCVBFLV-OCCSQVGLSA-N 1 0 283.799 3.247 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)C(C)(C)O)c1cc(Cl)ccc1O ZINC000775533778 628104165 /nfs/dbraw/zinc/10/41/65/628104165.db2.gz PJFGMRCQWHHMFR-CABZTGNLSA-N 1 0 271.788 3.246 20 10 CGCDRO Cc1cccc(C[NH+]2CCN(c3ccccc3C)CC2)c1O ZINC000775646169 628119193 /nfs/dbraw/zinc/11/91/93/628119193.db2.gz HMSXGIHEQDJRFW-UHFFFAOYSA-N 1 0 296.414 3.331 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+]2CCOC3(CCCC3)C2)c1O ZINC000775712872 628128441 /nfs/dbraw/zinc/12/84/41/628128441.db2.gz KNMJXZVJFHYCQL-UHFFFAOYSA-N 1 0 295.810 3.499 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCC[C@]3(CCCOC3)C2)c1O ZINC000775718237 628129560 /nfs/dbraw/zinc/12/95/60/628129560.db2.gz XZAAKZKDIFMXCJ-KRWDZBQOSA-N 1 0 275.392 3.093 20 10 CGCDRO COc1ccc(C[NH2+]C[C@@H]2CCc3ccccc3C2)c(O)c1 ZINC000776174768 628175783 /nfs/dbraw/zinc/17/57/83/628175783.db2.gz GADBVCFSUUSKKE-CQSZACIVSA-N 1 0 297.398 3.296 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+]Cc2cccc(F)n2)c1O ZINC000776251830 628184762 /nfs/dbraw/zinc/18/47/62/628184762.db2.gz CWTURXXVKJQRDD-UHFFFAOYSA-N 1 0 280.730 3.178 20 10 CGCDRO COc1cccc(C[NH2+][C@H]2CCO[C@@H](CC(C)C)C2)c1O ZINC000776955189 628240634 /nfs/dbraw/zinc/24/06/34/628240634.db2.gz VAZRWQBYPSDLSK-GJZGRUSLSA-N 1 0 293.407 3.084 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCO[C@@H](C(C)C)C1 ZINC000777436239 628270368 /nfs/dbraw/zinc/27/03/68/628270368.db2.gz NRUJXUYCQKIVTI-FUHWJXTLSA-N 1 0 290.451 3.354 20 10 CGCDRO C[C@H]1c2ccccc2OCC[N@H+]1Cc1cc(F)ccc1O ZINC000778999664 628382167 /nfs/dbraw/zinc/38/21/67/628382167.db2.gz JGILZSMBLWJTTJ-LBPRGKRZSA-N 1 0 287.334 3.487 20 10 CGCDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2cc(F)ccc2O)C1(C)C ZINC000779027311 628384111 /nfs/dbraw/zinc/38/41/11/628384111.db2.gz QNBVRGMDAHESFP-GJZGRUSLSA-N 1 0 281.371 3.167 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]CCc1ccc2ccccc2n1 ZINC000779064989 628386121 /nfs/dbraw/zinc/38/61/21/628386121.db2.gz MFRVOFJHGDZLAE-UHFFFAOYSA-N 1 0 296.345 3.412 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H](C)c2cncc(F)c2)cc1C ZINC000781637687 628581710 /nfs/dbraw/zinc/58/17/10/628581710.db2.gz CAQDAHFLLVTUQU-LBPRGKRZSA-N 1 0 274.339 3.394 20 10 CGCDRO CN(C)c1ccc(CNc2ccccc2CC[NH+](C)C)cc1 ZINC000782544759 628653822 /nfs/dbraw/zinc/65/38/22/628653822.db2.gz IQRUIWAVEIAKBQ-UHFFFAOYSA-N 1 0 297.446 3.469 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC=CO2)c(O)c1C ZINC000783312051 628703318 /nfs/dbraw/zinc/70/33/18/628703318.db2.gz ZGMTUKJWKCVRCA-KBPBESRZSA-N 1 0 261.365 3.352 20 10 CGCDRO COC[C@@H](C)C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000783524568 628721832 /nfs/dbraw/zinc/72/18/32/628721832.db2.gz VCMGMFKWKFLGAV-HNNXBMFYSA-N 1 0 278.440 3.246 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@H+]2C[C@H](C)O[C@@H](C)[C@@H]2C)c1 ZINC000783544944 628723688 /nfs/dbraw/zinc/72/36/88/628723688.db2.gz RWRYBOJCRXDSSP-IHRRRGAJSA-N 1 0 263.381 3.007 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1C[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000783593218 628729626 /nfs/dbraw/zinc/72/96/26/628729626.db2.gz OHWUVOMNJQAUGB-GUTXKFCHSA-N 1 0 275.392 3.411 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1C[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000783593224 628730105 /nfs/dbraw/zinc/73/01/05/628730105.db2.gz OHWUVOMNJQAUGB-YDHLFZDLSA-N 1 0 275.392 3.411 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2Cc3ccccc3OC[C@@H]2C)c1 ZINC000783598823 628730595 /nfs/dbraw/zinc/73/05/95/628730595.db2.gz ZFFLBDJSKYBKFZ-ZDUSSCGKSA-N 1 0 299.370 3.184 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@]2(C)CCO[C@H]2C)cc1F ZINC000784641025 628827179 /nfs/dbraw/zinc/82/71/79/628827179.db2.gz ULDKUJHWAFHMHC-SUMWQHHRSA-N 1 0 294.414 3.329 20 10 CGCDRO CC(C)([NH2+]Cc1c(O)cccc1Cl)C1CCOCC1 ZINC000785606386 628872258 /nfs/dbraw/zinc/87/22/58/628872258.db2.gz MVJGGAWCOHFRJQ-UHFFFAOYSA-N 1 0 283.799 3.340 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C(C)(C)C2CCOCC2)cc1 ZINC000785606396 628874048 /nfs/dbraw/zinc/87/40/48/628874048.db2.gz JXQFBPZIQPDHTQ-UHFFFAOYSA-N 1 0 276.424 3.047 20 10 CGCDRO C[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)[C@H]1CO ZINC000785984167 628905496 /nfs/dbraw/zinc/90/54/96/628905496.db2.gz HHJDNEYZOKWEHK-KSSFIOAISA-N 1 0 297.398 3.262 20 10 CGCDRO COc1cccc(C[NH2+]Cc2cccc3cc[nH]c32)c1O ZINC000786160749 628916928 /nfs/dbraw/zinc/91/69/28/628916928.db2.gz KUGHBJDUWGPAFJ-UHFFFAOYSA-N 1 0 282.343 3.172 20 10 CGCDRO CO[C@H](C)[C@H](C)[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000786575949 628949159 /nfs/dbraw/zinc/94/91/59/628949159.db2.gz ORBHPUFNYANIOR-GUDRVLHUSA-N 1 0 267.344 3.093 20 10 CGCDRO CO[C@@H](CC[NH2+][C@H](C)c1cc(F)ccc1O)C(F)(F)F ZINC000786950838 628972468 /nfs/dbraw/zinc/97/24/68/628972468.db2.gz RQWVDLGDDCGQFW-PELKAZGASA-N 1 0 295.276 3.149 20 10 CGCDRO CCC[N@H+](CCC(C)(C)OC)Cc1ccccc1O ZINC000787251041 629005193 /nfs/dbraw/zinc/00/51/93/629005193.db2.gz BGEIZERMPALQKJ-UHFFFAOYSA-N 1 0 265.397 3.419 20 10 CGCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)C1(C)CCCC1 ZINC000787338102 629009208 /nfs/dbraw/zinc/00/92/08/629009208.db2.gz VVWFALOJLLMCIC-UHFFFAOYSA-N 1 0 288.435 3.288 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2CCC[C@@]2(CO)CC(C)C)cc1C ZINC000789594197 629149532 /nfs/dbraw/zinc/14/95/32/629149532.db2.gz YYRIKQVUHKHMMU-SFHVURJKSA-N 1 0 291.435 3.382 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2N(C)CCCC2(C)C)c(O)c1 ZINC000790496547 629213767 /nfs/dbraw/zinc/21/37/67/629213767.db2.gz FSBRWLJREZPECL-WMLDXEAASA-N 1 0 290.451 3.472 20 10 CGCDRO Cc1ncc(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)o1 ZINC000862218926 629325175 /nfs/dbraw/zinc/32/51/75/629325175.db2.gz PAPRMUCRPZKADX-UHFFFAOYSA-N 1 0 285.391 3.214 20 10 CGCDRO CCCN(Cc1oc(C)nc1C)c1ccc(C[NH3+])cc1 ZINC000862348080 629345978 /nfs/dbraw/zinc/34/59/78/629345978.db2.gz ZRTDXFOHWSXBBA-UHFFFAOYSA-N 1 0 273.380 3.167 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccnc(F)c2C)c1 ZINC000862369759 629355228 /nfs/dbraw/zinc/35/52/28/629355228.db2.gz XEZJCYDOZMGKHF-NSHDSACASA-N 1 0 290.338 3.094 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2CC(C)(C)OC[C@@H]2C)cc1C ZINC000792727400 629378204 /nfs/dbraw/zinc/37/82/04/629378204.db2.gz OFFQKJYTHDGKAZ-ZDUSSCGKSA-N 1 0 263.381 3.008 20 10 CGCDRO COc1cccc2c1CC[C@H]([NH2+]Cc1cc(C)ccc1O)C2 ZINC000862478493 629383919 /nfs/dbraw/zinc/38/39/19/629383919.db2.gz IGOKGHGKSKLBSK-INIZCTEOSA-N 1 0 297.398 3.356 20 10 CGCDRO Cc1cccc(C[N@@H+]2CC[C@@H](c3ccc(O)cc3)C2)c1O ZINC000862541278 629396193 /nfs/dbraw/zinc/39/61/93/629396193.db2.gz RSHDWPAAEJSGII-OAHLLOKOSA-N 1 0 283.371 3.396 20 10 CGCDRO COc1cccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)c1O ZINC000793232567 629433280 /nfs/dbraw/zinc/43/32/80/629433280.db2.gz YMWJDZHSDNMNBM-ONGXEEELSA-N 1 0 289.297 3.174 20 10 CGCDRO COc1ccc(C[NH2+]Cc2cscc2Cl)c(O)c1 ZINC000793387815 629452503 /nfs/dbraw/zinc/45/25/03/629452503.db2.gz AQBQENFLKDBYFE-UHFFFAOYSA-N 1 0 283.780 3.406 20 10 CGCDRO Cc1cc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)nc(C)n1 ZINC000793567969 629484831 /nfs/dbraw/zinc/48/48/31/629484831.db2.gz MXDUXKGQGQLWOP-CYBMUJFWSA-N 1 0 284.407 3.010 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCCCC[C@H]2CCO)cc1F ZINC000793607709 629489308 /nfs/dbraw/zinc/48/93/08/629489308.db2.gz CAFUIXYGHKOCMM-HNNXBMFYSA-N 1 0 294.414 3.019 20 10 CGCDRO C[N@H+](Cc1cc2c(cc1O)OCO2)C(C)(C)c1ccccc1 ZINC000793610291 629490414 /nfs/dbraw/zinc/49/04/14/629490414.db2.gz SJSCBKRQKRPNHW-UHFFFAOYSA-N 1 0 299.370 3.488 20 10 CGCDRO COc1cc(C[NH+]2C[C@@H](C)C(F)(F)[C@H](C)C2)c(O)cc1C ZINC000863272340 629518016 /nfs/dbraw/zinc/51/80/16/629518016.db2.gz AASGCHDBPREQRO-VXGBXAGGSA-N 1 0 299.361 3.432 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)c1O ZINC000863295336 629527356 /nfs/dbraw/zinc/52/73/56/629527356.db2.gz QSXQEPMOVHXLHJ-KGLIPLIRSA-N 1 0 293.432 3.179 20 10 CGCDRO CC[C@@H]([NH2+][C@H](C)C(=O)NC(C)(C)C)c1ccc(C)cc1O ZINC000794803299 629579354 /nfs/dbraw/zinc/57/93/54/629579354.db2.gz IAKLIWYOPIXEHN-TZMCWYRMSA-N 1 0 292.423 3.045 20 10 CGCDRO CCCN(CC)CC[NH2+][C@H](CC)c1ccc(C)cc1O ZINC000794806249 629580425 /nfs/dbraw/zinc/58/04/25/629580425.db2.gz ZKRSCBRLAGJDCI-MRXNPFEDSA-N 1 0 278.440 3.473 20 10 CGCDRO CCN(C)c1ccc([C@H](C)N[C@H]2CC[NH2+]C23CCC3)cc1 ZINC000863541928 629602490 /nfs/dbraw/zinc/60/24/90/629602490.db2.gz NBDQBRGQLLSOKX-YOEHRIQHSA-N 1 0 287.451 3.078 20 10 CGCDRO CC[C@H](N[C@@H]1CC[C@@H](C)[NH2+]C1)c1cc(Cl)ccc1O ZINC000863547575 629603914 /nfs/dbraw/zinc/60/39/14/629603914.db2.gz PYQBHIXWDOOTLW-QKCSRTOESA-N 1 0 282.815 3.227 20 10 CGCDRO C[C@H](O)C[C@H]1CCCCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000796384166 629774256 /nfs/dbraw/zinc/77/42/56/629774256.db2.gz MFTUCEVJPLDEOL-MAUKXSAKSA-N 1 0 290.451 3.268 20 10 CGCDRO Cc1ccc([C@@H](O)[C@H](C)[NH2+]Cc2ccc(N(C)C)cc2)cc1 ZINC000796479806 629788113 /nfs/dbraw/zinc/78/81/13/629788113.db2.gz HHXBPCNGJJAUHV-KXBFYZLASA-N 1 0 298.430 3.273 20 10 CGCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H](c3ccccc3)C1)OCO2 ZINC000120272938 629936074 /nfs/dbraw/zinc/93/60/74/629936074.db2.gz KMVNKCPBVSYIQR-AWEZNQCLSA-N 1 0 297.354 3.110 20 10 CGCDRO CO[C@H]1CCCC[C@@H]1[NH2+][C@H](C)c1ccc(C)cc1O ZINC000799730238 630227092 /nfs/dbraw/zinc/22/70/92/630227092.db2.gz YFWJGOFFYIJRGX-INWMFGNUSA-N 1 0 263.381 3.309 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+](C)Cc2cnc(C(C)C)nc2)c1 ZINC000799736873 630229044 /nfs/dbraw/zinc/22/90/44/630229044.db2.gz KLMWYIPFKFCLCA-UHFFFAOYSA-N 1 0 285.391 3.246 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000800529038 630290832 /nfs/dbraw/zinc/29/08/32/630290832.db2.gz YUAUNGSOUGYVJM-HNNXBMFYSA-N 1 0 291.753 3.442 20 10 CGCDRO CC[C@H](C)[C@@H](O)C[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808696155 630294920 /nfs/dbraw/zinc/29/49/20/630294920.db2.gz SOFMTWGUBCHBBB-PXWWUCIGSA-N 1 0 285.815 3.412 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCC[C@H]3C[C@H]32)c1 ZINC000800987182 630317846 /nfs/dbraw/zinc/31/78/46/630317846.db2.gz RRYALWMYMWOXJH-BAESOJJISA-N 1 0 261.365 3.240 20 10 CGCDRO C[C@H]1CC(CC[NH2+]Cc2ccc(N(C)C)cc2)C[C@H](C)O1 ZINC000801732688 630353909 /nfs/dbraw/zinc/35/39/09/630353909.db2.gz TXSARECWVGXNSV-GJZGRUSLSA-N 1 0 290.451 3.436 20 10 CGCDRO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1CCOCC12CC2 ZINC000802658711 630403755 /nfs/dbraw/zinc/40/37/55/630403755.db2.gz OXYFWHNDIRWQJN-UHFFFAOYSA-N 1 0 295.382 3.424 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](OC(F)F)C2)cc1 ZINC000802659248 630403799 /nfs/dbraw/zinc/40/37/99/630403799.db2.gz XUVQBOYITAMYBT-HNNXBMFYSA-N 1 0 298.377 3.346 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@@](C)(F)C2)c1 ZINC000840101267 630593468 /nfs/dbraw/zinc/59/34/68/630593468.db2.gz RHYRHMAMYDAGCX-OAHLLOKOSA-N 1 0 251.345 3.333 20 10 CGCDRO CO[C@H]1CC[N@H+](Cc2cc3c(cc2O)CCCC3)C[C@H]1C ZINC000840124107 630605427 /nfs/dbraw/zinc/60/54/27/630605427.db2.gz NTUCLIMZFBNPCC-ACJLOTCBSA-N 1 0 289.419 3.128 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCn2ccnc2)c1O ZINC000808672300 630662245 /nfs/dbraw/zinc/66/22/45/630662245.db2.gz IZVGZXLIFVTQPZ-GFCCVEGCSA-N 1 0 293.798 3.291 20 10 CGCDRO CCOCCC[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808671937 630662683 /nfs/dbraw/zinc/66/26/83/630662683.db2.gz WUCSPQLWXJWIQF-LLVKDONJSA-N 1 0 271.788 3.431 20 10 CGCDRO Cc1nccn1CC[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808685107 630664542 /nfs/dbraw/zinc/66/45/42/630664542.db2.gz AYAWMILXJCJSDN-NSHDSACASA-N 1 0 293.798 3.210 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCCOC2)c1O ZINC000808693565 630665276 /nfs/dbraw/zinc/66/52/76/630665276.db2.gz HUIREVUUIFAIDG-CMPLNLGQSA-N 1 0 269.772 3.184 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCC[C@@H](C)CO)c1O ZINC000808707837 630667869 /nfs/dbraw/zinc/66/78/69/630667869.db2.gz AFFBCWQSUPJWDZ-PWSUYJOCSA-N 1 0 285.815 3.413 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCC2CC(O)C2)c1O ZINC000808715451 630669823 /nfs/dbraw/zinc/66/98/23/630669823.db2.gz FFFGVDJTXMQXHS-ZBOXLXRLSA-N 1 0 283.799 3.166 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCOC[C@H]2C)c1O ZINC000808716401 630670660 /nfs/dbraw/zinc/67/06/60/630670660.db2.gz NGLSXBFHBIOKMA-SUNKGSAMSA-N 1 0 283.799 3.430 20 10 CGCDRO C[C@H](CO)[N@@H+](Cc1cc(Cl)ccc1O)CC1CCC1 ZINC000809665639 630778506 /nfs/dbraw/zinc/77/85/06/630778506.db2.gz YBCIIIOEQHLDQH-LLVKDONJSA-N 1 0 283.799 3.029 20 10 CGCDRO CN(C)CC[N@H+](C)Cc1cc(-c2ccccc2)ccc1O ZINC000809729466 630793141 /nfs/dbraw/zinc/79/31/41/630793141.db2.gz JEEDTILDZUCIQZ-UHFFFAOYSA-N 1 0 284.403 3.053 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000809728886 630793762 /nfs/dbraw/zinc/79/37/62/630793762.db2.gz KMHMRXJCODKGSZ-HNNXBMFYSA-N 1 0 284.359 3.133 20 10 CGCDRO COc1cccc(C[NH2+]C[C@H]2C(C)=CCC[C@H]2C)c1O ZINC000809740399 630796264 /nfs/dbraw/zinc/79/62/64/630796264.db2.gz XQKCREMUCWPQNQ-HIFRSBDPSA-N 1 0 275.392 3.483 20 10 CGCDRO CC[C@@H](c1ccncc1)[N@H+](C)Cc1cc(OC)ccc1O ZINC000809765581 630801910 /nfs/dbraw/zinc/80/19/10/630801910.db2.gz OYAKSNKUTVKRRV-INIZCTEOSA-N 1 0 286.375 3.379 20 10 CGCDRO C[N@H+](Cc1cc(Cl)ccc1O)C1CCC(CO)CC1 ZINC000809764283 630802159 /nfs/dbraw/zinc/80/21/59/630802159.db2.gz HUQVEEPGRPOWCP-UHFFFAOYSA-N 1 0 283.799 3.029 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](C3CC3)C2)c1 ZINC000809786932 630808858 /nfs/dbraw/zinc/80/88/58/630808858.db2.gz OQPDAJUJGHTTGM-CQSZACIVSA-N 1 0 275.392 3.413 20 10 CGCDRO CCCCN(C)C[C@@H](C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000810163476 630849025 /nfs/dbraw/zinc/84/90/25/630849025.db2.gz VNYCZOUVJMCDLK-CQSZACIVSA-N 1 0 295.446 3.102 20 10 CGCDRO Cc1cc([C@@H](C)[NH2+]CCCSc2nccs2)no1 ZINC000810220028 630855890 /nfs/dbraw/zinc/85/58/90/630855890.db2.gz ZRCBSILQUSQTRO-SNVBAGLBSA-N 1 0 283.422 3.273 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc(CO)cc1)c1ccc(N(C)C)cc1 ZINC000842893815 635505760 /nfs/dbraw/zinc/50/57/60/635505760.db2.gz CYOSTEUMWPDTJO-LJQANCHMSA-N 1 0 298.430 3.486 20 10 CGCDRO Cc1cccc(C[N@@H+]2CC3(CCC3)[C@H]2C2CC2)c1O ZINC000811513942 631081670 /nfs/dbraw/zinc/08/16/70/631081670.db2.gz WVKCUXULJSNVEP-MRXNPFEDSA-N 1 0 257.377 3.465 20 10 CGCDRO CC(C)[N@H+](Cc1cc2c(cc1O)CCCC2)[C@H]1CCOC1 ZINC000812291185 631235594 /nfs/dbraw/zinc/23/55/94/631235594.db2.gz NSDYSCZKHRMSST-KRWDZBQOSA-N 1 0 289.419 3.270 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc2cnn(C)c2c1)c1ccccc1O ZINC000812734107 631299068 /nfs/dbraw/zinc/29/90/68/631299068.db2.gz FCJJNJDYGIAXBP-GFCCVEGCSA-N 1 0 281.359 3.130 20 10 CGCDRO C[C@H]1C[C@@H]([NH2+]CCCCF)c2c1c(F)ccc2O ZINC000812736570 631299950 /nfs/dbraw/zinc/29/99/50/631299950.db2.gz NQWHVDACXOTSLZ-GXSJLCMTSA-N 1 0 255.308 3.419 20 10 CGCDRO COc1cccc(C[NH+]2CC(c3ccccc3F)C2)c1O ZINC000812791157 631311252 /nfs/dbraw/zinc/31/12/52/631311252.db2.gz PXBWUEJPOXYDBO-UHFFFAOYSA-N 1 0 287.334 3.139 20 10 CGCDRO COCC(C)(C)C[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000813883884 631476291 /nfs/dbraw/zinc/47/62/91/631476291.db2.gz YRZXMAKYKPBYMU-JQWIXIFHSA-N 1 0 281.371 3.342 20 10 CGCDRO COc1ccc(C[NH2+][C@H](C(C)C)C2(CO)CCC2)cc1C ZINC000814169884 631537185 /nfs/dbraw/zinc/53/71/85/631537185.db2.gz NSDYYTASVIJRBJ-QGZVFWFLSA-N 1 0 291.435 3.280 20 10 CGCDRO Cc1cc(C[NH+]2CCC(OC(C)C)CC2)ccc1N(C)C ZINC000815043388 631706337 /nfs/dbraw/zinc/70/63/37/631706337.db2.gz QQIVWLWOJFZHDS-UHFFFAOYSA-N 1 0 290.451 3.450 20 10 CGCDRO Cc1cc(C[N@@H+]2CCOCC23CCCC3)ccc1N(C)C ZINC000815078155 631712707 /nfs/dbraw/zinc/71/27/07/631712707.db2.gz POGCLNHLZPCXRT-UHFFFAOYSA-N 1 0 288.435 3.206 20 10 CGCDRO CO[C@H]1CCC[N@H+](Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000815092298 631715183 /nfs/dbraw/zinc/71/51/83/631715183.db2.gz YSNWZPXOCOFUHV-INIZCTEOSA-N 1 0 276.424 3.062 20 10 CGCDRO Cc1cc(C[N@H+]2CCSCC[C@H]2C)ccc1N(C)C ZINC000815100107 631716011 /nfs/dbraw/zinc/71/60/11/631716011.db2.gz CHHZSVDNEWHLGL-CQSZACIVSA-N 1 0 278.465 3.388 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)cc1 ZINC000815102650 631717889 /nfs/dbraw/zinc/71/78/89/631717889.db2.gz LDLHZHOHEDMIPK-RDTXWAMCSA-N 1 0 288.435 3.142 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)cc1 ZINC000815113560 631720410 /nfs/dbraw/zinc/72/04/10/631720410.db2.gz GXIAKOBHXSLFRL-ROUUACIJSA-N 1 0 288.435 3.286 20 10 CGCDRO CCOCc1cc(C[NH2+]CC[C@H](C)F)ccc1OC ZINC000815149463 631731147 /nfs/dbraw/zinc/73/11/47/631731147.db2.gz ODFVEROTHRSWRW-LBPRGKRZSA-N 1 0 269.360 3.069 20 10 CGCDRO CC(C)C1([NH2+]Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000815151166 631731854 /nfs/dbraw/zinc/73/18/54/631731854.db2.gz LAWFRKPRTOMRHU-UHFFFAOYSA-N 1 0 250.361 3.170 20 10 CGCDRO CN(C)c1ccc(CNc2cc3c(c[nH+]2)CCC3)cc1F ZINC000815159053 631732882 /nfs/dbraw/zinc/73/28/82/631732882.db2.gz GWCKUUDCBLTZJM-UHFFFAOYSA-N 1 0 285.366 3.388 20 10 CGCDRO CCC[C@](C)(O)C[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000815579731 631799716 /nfs/dbraw/zinc/79/97/16/631799716.db2.gz TYNJFIXMHKAFQN-CJNGLKHVSA-N 1 0 265.397 3.211 20 10 CGCDRO CO[C@@H](C[NH2+][C@H](C)c1c(C)cc(C)cc1O)C(F)(F)F ZINC000815605130 631804350 /nfs/dbraw/zinc/80/43/50/631804350.db2.gz LVEXXHOPIVUBRX-PWSUYJOCSA-N 1 0 291.313 3.237 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2cnc3n2CCCC3)c(O)c1 ZINC000815624163 631808978 /nfs/dbraw/zinc/80/89/78/631808978.db2.gz QYTJHXZJJBXIQG-AWEZNQCLSA-N 1 0 299.418 3.393 20 10 CGCDRO CCCC[N@H+](CCO)Cc1ccc2ccccc2c1O ZINC000816481376 631989389 /nfs/dbraw/zinc/98/93/89/631989389.db2.gz SPFYWBJVDSMZQK-UHFFFAOYSA-N 1 0 273.376 3.140 20 10 CGCDRO OCCC1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC000816484176 631989510 /nfs/dbraw/zinc/98/95/10/631989510.db2.gz RNYFTACPMAPHAJ-UHFFFAOYSA-N 1 0 285.387 3.140 20 10 CGCDRO COc1ncccc1C[NH2+]Cc1ccc2ccccc2c1O ZINC000816534500 632006211 /nfs/dbraw/zinc/00/62/11/632006211.db2.gz KVBZEARUQOHGKJ-UHFFFAOYSA-N 1 0 294.354 3.239 20 10 CGCDRO Oc1c(C[NH2+]CC2CCOCC2)ccc2ccccc21 ZINC000816545179 632007350 /nfs/dbraw/zinc/00/73/50/632007350.db2.gz HCEAFTTYUDMXMY-UHFFFAOYSA-N 1 0 271.360 3.062 20 10 CGCDRO CCC[C@@](C)(O)C[NH2+]Cc1ccc2ccccc2c1O ZINC000816549569 632009118 /nfs/dbraw/zinc/00/91/18/632009118.db2.gz RTDHLOAIWSSEDY-QGZVFWFLSA-N 1 0 273.376 3.186 20 10 CGCDRO CCCN(Cc1conc1CC)c1ccc(C[NH3+])cc1 ZINC000816592422 632019228 /nfs/dbraw/zinc/01/92/28/632019228.db2.gz JOYUNOFHWKOBGU-UHFFFAOYSA-N 1 0 273.380 3.112 20 10 CGCDRO C[N@H+](Cc1ccc2ccccc2c1O)[C@H]1CCCOC1 ZINC000816608117 632022458 /nfs/dbraw/zinc/02/24/58/632022458.db2.gz POFVJXLFGKHTRA-HNNXBMFYSA-N 1 0 271.360 3.156 20 10 CGCDRO COc1cc(O)c(C[NH2+]C[C@@H]2CCCC2(C)C)cc1OC ZINC000816665148 632040736 /nfs/dbraw/zinc/04/07/36/632040736.db2.gz VEMDMXSZDZRWLT-ZDUSSCGKSA-N 1 0 293.407 3.325 20 10 CGCDRO CC[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(C)cc2O)CCO1 ZINC000817586444 632191818 /nfs/dbraw/zinc/19/18/18/632191818.db2.gz OOXTUQXSUKLLFO-HZSPNIEDSA-N 1 0 263.381 3.309 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)cc1 ZINC000817938680 632239654 /nfs/dbraw/zinc/23/96/54/632239654.db2.gz PLYJKAKVEXSMIP-KXBFYZLASA-N 1 0 297.446 3.412 20 10 CGCDRO CN(C)c1ccc([C@H]([NH3+])CN[C@@H]2CCCc3occc32)cc1 ZINC000817942239 632240835 /nfs/dbraw/zinc/24/08/35/632240835.db2.gz NEFMXYLMCZIPLU-IAGOWNOFSA-N 1 0 299.418 3.013 20 10 CGCDRO CC[NH2+]CCN[C@H](CC)c1ccc(C(F)(F)F)cc1O ZINC000817953255 632247435 /nfs/dbraw/zinc/24/74/35/632247435.db2.gz YEKLRKBPBPAXCD-GFCCVEGCSA-N 1 0 290.329 3.061 20 10 CGCDRO Cc1cccc2c1CC[C@H]2[NH2+]CCc1ccc(N)cc1 ZINC000817956110 632251291 /nfs/dbraw/zinc/25/12/91/632251291.db2.gz QWQPIZXERUSHFF-GOSISDBHSA-N 1 0 266.388 3.397 20 10 CGCDRO Nc1ccc(CC[NH2+][C@H](c2cccnc2)C2CCC2)cc1 ZINC000817956764 632252164 /nfs/dbraw/zinc/25/21/64/632252164.db2.gz CHOVRCMFCVKBNX-SFHVURJKSA-N 1 0 281.403 3.337 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCc2ccc(N)cc2)c(O)c1 ZINC000817957593 632252522 /nfs/dbraw/zinc/25/25/22/632252522.db2.gz MYZXSUYQIJJZRF-AWEZNQCLSA-N 1 0 284.403 3.485 20 10 CGCDRO CC[C@H]([NH2+][C@H](CN)C1CCCCC1)c1ccccc1O ZINC000817958141 632253453 /nfs/dbraw/zinc/25/34/53/632253453.db2.gz IGTOJEPLUZOMKZ-JKSUJKDBSA-N 1 0 276.424 3.341 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](CN)C2CCCCC2)c1 ZINC000817958945 632254366 /nfs/dbraw/zinc/25/43/66/632254366.db2.gz NDVDIFDORSTBAN-CZUORRHYSA-N 1 0 276.424 3.259 20 10 CGCDRO CCCC[C@H](CN)[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000817963194 632258550 /nfs/dbraw/zinc/25/85/50/632258550.db2.gz SDICMHIEJTZTEI-WZRBSPASSA-N 1 0 280.387 3.187 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817965892 632260336 /nfs/dbraw/zinc/26/03/36/632260336.db2.gz WTGHCMURJYXVIU-WRWORJQWSA-N 1 0 289.206 3.087 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)N[C@H]2C[NH2+]CC[C@H]2C)c1O ZINC000817968032 632261684 /nfs/dbraw/zinc/26/16/84/632261684.db2.gz GHHLILGQETYSPG-PUYPPJJSSA-N 1 0 282.815 3.003 20 10 CGCDRO C[C@H]([NH3+])CN[C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000817970585 632263775 /nfs/dbraw/zinc/26/37/75/632263775.db2.gz ALDRPJQIYRDMNE-GJZGRUSLSA-N 1 0 275.440 3.065 20 10 CGCDRO CC[NH2+][C@H](C)CN[C@H](C)c1cc(Cl)cc(C)c1O ZINC000817972935 632266416 /nfs/dbraw/zinc/26/64/16/632266416.db2.gz QGJSHGZQOAOVBK-GHMZBOCLSA-N 1 0 270.804 3.003 20 10 CGCDRO C[C@H](CCC[NH3+])[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000817977445 632268640 /nfs/dbraw/zinc/26/86/40/632268640.db2.gz KLKSMDQDOMKAHJ-NXEZZACHSA-N 1 0 290.329 3.189 20 10 CGCDRO C[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817977838 632269103 /nfs/dbraw/zinc/26/91/03/632269103.db2.gz QESOCVIZPZILDG-IUCAKERBSA-N 1 0 291.222 3.477 20 10 CGCDRO CCOc1ccc(C[NH2+][C@@H]2C[C@H]2C2CCC2)c(O)c1 ZINC000818229697 632299729 /nfs/dbraw/zinc/29/97/29/632299729.db2.gz AONWRMILAHZHDZ-LSDHHAIUSA-N 1 0 261.365 3.069 20 10 CGCDRO Oc1ccccc1C[NH2+][C@H]1C[C@@]1(F)c1ccccc1 ZINC000818229876 632299973 /nfs/dbraw/zinc/29/99/73/632299973.db2.gz GBBWKLVNTFADBU-JKSUJKDBSA-N 1 0 257.308 3.119 20 10 CGCDRO CO[C@H]1C[C@H]2C[C@@H]([NH2+]Cc3ccc(N(C)C)cc3)C[C@H]2C1 ZINC000818328819 632307140 /nfs/dbraw/zinc/30/71/40/632307140.db2.gz WPDTVSCFTSQGQU-OMPZMXGASA-N 1 0 288.435 3.046 20 10 CGCDRO CCC(CC)[NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818344653 632311067 /nfs/dbraw/zinc/31/10/67/632311067.db2.gz PRFXURVSIJAAKA-AWEZNQCLSA-N 1 0 276.424 3.300 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CC12CC2)c1cc(Br)ccc1O ZINC000818355500 632313005 /nfs/dbraw/zinc/31/30/05/632313005.db2.gz GYSHMIDLUBOQMT-QPUJVOFHSA-N 1 0 282.181 3.358 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CC12CC2)c1cc2c(cc1O)CCCC2 ZINC000818357320 632314762 /nfs/dbraw/zinc/31/47/62/632314762.db2.gz ZFCBJVKGCNXULP-MEDUHNTESA-N 1 0 257.377 3.474 20 10 CGCDRO Cc1cc(O)c(C[NH2+]Cc2ccc(CO)cc2)c(Cl)c1 ZINC000842731672 632809934 /nfs/dbraw/zinc/80/99/34/632809934.db2.gz AMPRJQUTHPPLSF-UHFFFAOYSA-N 1 0 291.778 3.136 20 10 CGCDRO CS[C@@H]1CC[C@@H]1[NH2+][C@H](C)Cc1ccc(N(C)C)cc1C ZINC000822489914 632945984 /nfs/dbraw/zinc/94/59/84/632945984.db2.gz MLWLKGDZOWSRCR-XOKHGSTOSA-N 1 0 292.492 3.476 20 10 CGCDRO Cc1cccc(C[N@@H+](C)C[C@@](C)(O)c2ccccc2)c1O ZINC000822516811 632956112 /nfs/dbraw/zinc/95/61/12/632956112.db2.gz QLIGTZSVJTZQIG-GOSISDBHSA-N 1 0 285.387 3.040 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCCc3ccccc3C2)c1 ZINC000823872111 633163206 /nfs/dbraw/zinc/16/32/06/633163206.db2.gz YMTRUDUYDLMEPD-QGZVFWFLSA-N 1 0 297.398 3.438 20 10 CGCDRO CC[C@H](C[C@@H](C)O)[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000866633590 633222466 /nfs/dbraw/zinc/22/24/66/633222466.db2.gz KIDDMECHOGCGHD-KWCYVHTRSA-N 1 0 265.397 3.209 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCn3nccc32)c(O)c1 ZINC000866634909 633223867 /nfs/dbraw/zinc/22/38/67/633223867.db2.gz VJSZZKYAYQGXPV-JSGCOSHPSA-N 1 0 271.364 3.083 20 10 CGCDRO C[C@H]([NH2+]CC[C@@H](O)C1CCCC1)c1cc(F)ccc1O ZINC000866639278 633227066 /nfs/dbraw/zinc/22/70/66/633227066.db2.gz XLRORJOUAZLLNY-XHDPSFHLSA-N 1 0 281.371 3.123 20 10 CGCDRO Cc1cc(O)c(CN2CCC([NH2+]C(C)C)CC2)cc1Cl ZINC000824657550 633269895 /nfs/dbraw/zinc/26/98/95/633269895.db2.gz QGXLMZVWOXEBOE-UHFFFAOYSA-N 1 0 296.842 3.316 20 10 CGCDRO Cc1cccc(C[NH2+][C@H](C(C)C)[C@@H](CO)C(C)C)c1O ZINC000824845033 633300277 /nfs/dbraw/zinc/30/02/77/633300277.db2.gz GUILUOSZSXVOGC-JKSUJKDBSA-N 1 0 279.424 3.079 20 10 CGCDRO Oc1cc(Br)ccc1C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000824894539 633303336 /nfs/dbraw/zinc/30/33/36/633303336.db2.gz HIPXNMBQXIANPW-LLVKDONJSA-N 1 0 296.208 3.387 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H]2C[C@H]2C(C)C)c1 ZINC000824978706 633313581 /nfs/dbraw/zinc/31/35/81/633313581.db2.gz YXODPNPNZCELAS-WFASDCNBSA-N 1 0 263.381 3.173 20 10 CGCDRO CC[C@H]([NH2+][C@H]1C[C@H](C)n2ccnc21)c1ccccc1O ZINC000825016356 633317942 /nfs/dbraw/zinc/31/79/42/633317942.db2.gz BPXOVINWSMWQAO-UBHSHLNASA-N 1 0 271.364 3.335 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCc2ccccn2)cc1Cl ZINC000825044039 633320808 /nfs/dbraw/zinc/32/08/08/633320808.db2.gz OROWIMJYDYZEFZ-UHFFFAOYSA-N 1 0 276.767 3.081 20 10 CGCDRO CCCc1ncc(C[NH2+]Cc2cc(OCC)ccc2O)o1 ZINC000825084597 633326801 /nfs/dbraw/zinc/32/68/01/633326801.db2.gz GAPPFEORQWZPEO-UHFFFAOYSA-N 1 0 290.363 3.021 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C2(C3(C)CC3)CC2)cc1F ZINC000825124354 633330739 /nfs/dbraw/zinc/33/07/39/633330739.db2.gz OCQPBDIUXUOIIF-UHFFFAOYSA-N 1 0 262.372 3.314 20 10 CGCDRO CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000825294188 633342750 /nfs/dbraw/zinc/34/27/50/633342750.db2.gz JAZCMPRRNGKBFH-IAGOWNOFSA-N 1 0 276.424 3.190 20 10 CGCDRO CSCCC[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825297965 633343195 /nfs/dbraw/zinc/34/31/95/633343195.db2.gz QSKQNCZULCDVCB-UHFFFAOYSA-N 1 0 259.802 3.197 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCc2cscn2)cc1Cl ZINC000825304034 633343348 /nfs/dbraw/zinc/34/33/48/633343348.db2.gz PQOUYUBJPQIBHU-UHFFFAOYSA-N 1 0 282.796 3.143 20 10 CGCDRO CC[C@H](C[C@@H](C)CO)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825316580 633344703 /nfs/dbraw/zinc/34/47/03/633344703.db2.gz XFNSESVHHYLRGA-ZWNOBZJWSA-N 1 0 285.815 3.241 20 10 CGCDRO COCC[C@@H](C)C[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000826120692 633405317 /nfs/dbraw/zinc/40/53/17/633405317.db2.gz HQQLYWOGIMWVFJ-SNVBAGLBSA-N 1 0 271.788 3.116 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)C1CC1 ZINC000122477650 633415166 /nfs/dbraw/zinc/41/51/66/633415166.db2.gz GLDAGGTZNNTYLX-CQSZACIVSA-N 1 0 250.361 3.170 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CCc3sccc3C2)c1O ZINC000122537834 633433294 /nfs/dbraw/zinc/43/32/94/633433294.db2.gz NPZRBBCJKXCWBX-UHFFFAOYSA-N 1 0 289.400 3.329 20 10 CGCDRO CC1(C)C[C@@H]([NH2+]Cc2ccc3ccccc3c2O)CO1 ZINC000826796373 633433675 /nfs/dbraw/zinc/43/36/75/633433675.db2.gz JADYEKPBBJDOHE-CQSZACIVSA-N 1 0 271.360 3.203 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+]C3CC4(CCC4)C3)C2)cc1 ZINC000826844898 633437053 /nfs/dbraw/zinc/43/70/53/633437053.db2.gz BLVHUWWXIDECEV-AWEZNQCLSA-N 1 0 286.419 3.196 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCN(C(C)(C)C)C2)cc1Cl ZINC000826871778 633439179 /nfs/dbraw/zinc/43/91/79/633439179.db2.gz BHNSHLAAGZANKB-CYBMUJFWSA-N 1 0 296.842 3.316 20 10 CGCDRO CCc1ccc(C)[nH+]c1NCc1cccc(F)c1O ZINC000826910687 633443289 /nfs/dbraw/zinc/44/32/89/633443289.db2.gz LXSXNPOWXURYSG-UHFFFAOYSA-N 1 0 260.312 3.409 20 10 CGCDRO CCO[C@H]1C[C@H]([NH2+]Cc2cc(Cl)c(C)cc2O)C1 ZINC000827005638 633448441 /nfs/dbraw/zinc/44/84/41/633448441.db2.gz HEIPOBUJWUIGTE-HAQNSBGRSA-N 1 0 269.772 3.011 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCC[C@H]([C@H]3CCCCO3)C2)c1O ZINC000827376881 633487026 /nfs/dbraw/zinc/48/70/26/633487026.db2.gz KIWCTNVVTPXPID-DOTOQJQBSA-N 1 0 289.419 3.482 20 10 CGCDRO Cc1cc(CN2CCOC[C@H]2C)ccc1N1CCCCC1 ZINC000827400935 633488903 /nfs/dbraw/zinc/48/89/03/633488903.db2.gz VCUWNJDYVARTBE-MRXNPFEDSA-N 1 0 288.435 3.206 20 10 CGCDRO COCCC[N@H+](C)Cc1ccc(N2CCCCC2)c(C)c1 ZINC000827501424 633494708 /nfs/dbraw/zinc/49/47/08/633494708.db2.gz QLVRZXALHTXLDX-UHFFFAOYSA-N 1 0 290.451 3.454 20 10 CGCDRO Cc1cc(C[N@@H+]2CCCOCC2)ccc1N1CCCCC1 ZINC000827583886 633501147 /nfs/dbraw/zinc/50/11/47/633501147.db2.gz NOIZUWJSEFLKGB-UHFFFAOYSA-N 1 0 288.435 3.208 20 10 CGCDRO Cc1cccc(C[N@@H+]2CC[C@@H](Oc3ccccc3)C2)c1O ZINC000827640669 633505948 /nfs/dbraw/zinc/50/59/48/633505948.db2.gz ZTEDNZBYGIXFOO-QGZVFWFLSA-N 1 0 283.371 3.354 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C[C@@H](OC)C2CCCCC2)c1 ZINC000827674253 633509624 /nfs/dbraw/zinc/50/96/24/633509624.db2.gz NVJVLYOSHXKNEO-QGZVFWFLSA-N 1 0 293.407 3.086 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)c1O ZINC000827705197 633511236 /nfs/dbraw/zinc/51/12/36/633511236.db2.gz GHXKXAXYXJHFHH-GVDBMIGSSA-N 1 0 283.346 3.268 20 10 CGCDRO COc1cccc(O)c1C[N@H+](CCC1CC1)CC1CC1 ZINC000827729087 633513041 /nfs/dbraw/zinc/51/30/41/633513041.db2.gz QZVHHNZMQNOMRH-UHFFFAOYSA-N 1 0 275.392 3.413 20 10 CGCDRO C[N@H+](CC1=CCSC1)Cc1cc(Cl)cc(F)c1[O-] ZINC000827804975 633519006 /nfs/dbraw/zinc/51/90/06/633519006.db2.gz DELIUCWAELUVGV-UHFFFAOYSA-N 1 0 287.787 3.290 20 10 CGCDRO C[C@H](c1ccccc1)[C@H](O)C[NH2+][C@@H](C)c1ccccc1O ZINC000828655368 633640662 /nfs/dbraw/zinc/64/06/62/633640662.db2.gz BIOCAROHMHKQAR-QWQRMKEZSA-N 1 0 285.387 3.207 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2C[C@H]3CCC[C@@H]3O2)c1 ZINC000872109878 634033988 /nfs/dbraw/zinc/03/39/88/634033988.db2.gz TULXLVQRBBTIPB-LOUJCGABSA-N 1 0 275.392 3.309 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@H]3CCC[C@H]3O2)c(O)c1 ZINC000872109297 634034360 /nfs/dbraw/zinc/03/43/60/634034360.db2.gz KYTKYEBYCSPRAF-QDEZUTFSSA-N 1 0 275.392 3.309 20 10 CGCDRO Cc1nccnc1[C@@H](C)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000872134076 634057392 /nfs/dbraw/zinc/05/73/92/634057392.db2.gz RAPZDGLKTUTKGH-GXSJLCMTSA-N 1 0 275.327 3.042 20 10 CGCDRO CC(C)CC[C@@](C)(O)C[NH2+]Cc1c(O)cccc1Cl ZINC000124030227 634102976 /nfs/dbraw/zinc/10/29/76/634102976.db2.gz MSMQOHFKGAINEL-OAHLLOKOSA-N 1 0 285.815 3.322 20 10 CGCDRO CCC[N@H+](Cc1ccc(N(C)C)nc1)Cc1ccccc1O ZINC000124044060 634111417 /nfs/dbraw/zinc/11/14/17/634111417.db2.gz BHYJRFJIYAGAMW-UHFFFAOYSA-N 1 0 299.418 3.265 20 10 CGCDRO CN(CC[NH2+][C@H]1CCc2cccc(O)c21)c1ccccc1 ZINC000834501434 634173916 /nfs/dbraw/zinc/17/39/16/634173916.db2.gz BDFIFPYDXAFBOW-INIZCTEOSA-N 1 0 282.387 3.106 20 10 CGCDRO CC[C@H]1CCCCN1CC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834585104 634190698 /nfs/dbraw/zinc/19/06/98/634190698.db2.gz GAARFGVWNVSWNO-HOTGVXAUSA-N 1 0 288.435 3.234 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]CCCSc2nccs2)c2nccn21 ZINC000834592405 634192844 /nfs/dbraw/zinc/19/28/44/634192844.db2.gz ACCAWOODGXBTRM-MNOVXSKESA-N 1 0 294.449 3.117 20 10 CGCDRO COc1cc(C)cc(C[N@H+]2C[C@@H]3CC=CC[C@@H]3C2)c1O ZINC000872711758 634193349 /nfs/dbraw/zinc/19/33/49/634193349.db2.gz AMSRJGONCQVSMO-OKILXGFUSA-N 1 0 273.376 3.107 20 10 CGCDRO C[C@H](c1ccccc1)[C@H](CO)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834653940 634209433 /nfs/dbraw/zinc/20/94/33/634209433.db2.gz HALXFRUVPHZRPX-COXVUDFISA-N 1 0 297.398 3.134 20 10 CGCDRO CC(=O)C1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000872797635 634211658 /nfs/dbraw/zinc/21/16/58/634211658.db2.gz AMIFYLTXERDOQY-UHFFFAOYSA-N 1 0 283.371 3.346 20 10 CGCDRO Cc1ccsc1[C@H](CO)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834676696 634217188 /nfs/dbraw/zinc/21/71/88/634217188.db2.gz XZUWJZQOVHFVOS-OLZOCXBDSA-N 1 0 289.400 3.073 20 10 CGCDRO C[C@H](CCO)CC[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000834830250 634250706 /nfs/dbraw/zinc/25/07/06/634250706.db2.gz BCMZBCCURQYGSV-KBPBESRZSA-N 1 0 291.435 3.330 20 10 CGCDRO COc1ccc(C[NH2+]C[C@@H]2C[C@@H]3CCC[C@@H]3O2)cc1C ZINC000873154813 634261561 /nfs/dbraw/zinc/26/15/61/634261561.db2.gz BFICSMNNNGVPAG-ZOBUZTSGSA-N 1 0 275.392 3.051 20 10 CGCDRO CC[C@@](C)(C[NH2+][C@H](C)c1ccc(C)c(C)c1O)OC ZINC000834882000 634264393 /nfs/dbraw/zinc/26/43/93/634264393.db2.gz HSPQQKKOVSDIBM-CJNGLKHVSA-N 1 0 265.397 3.475 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CC2(CF)CCOCC2)c(O)c1 ZINC000834887079 634267426 /nfs/dbraw/zinc/26/74/26/634267426.db2.gz XYXOHDHJBNLVKJ-CYBMUJFWSA-N 1 0 281.371 3.118 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1COCC1(C)C)c1cc2c(cc1O)CCCC2 ZINC000834904389 634280857 /nfs/dbraw/zinc/28/08/57/634280857.db2.gz NXKUNSUJOYZCNU-SJKOYZFVSA-N 1 0 289.419 3.347 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1cc(F)cc(F)c1[O-] ZINC000873241860 634298068 /nfs/dbraw/zinc/29/80/68/634298068.db2.gz GUUWKADNPWJCRB-CMPLNLGQSA-N 1 0 298.377 3.099 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000873250001 634301071 /nfs/dbraw/zinc/30/10/71/634301071.db2.gz OLLVILPWQSFSIV-XHNCKOQMSA-N 1 0 289.206 3.087 20 10 CGCDRO CN(C)c1ccc(/C=C\C[N@H+](C)Cc2ccco2)cc1 ZINC000835025302 634324311 /nfs/dbraw/zinc/32/43/11/634324311.db2.gz HMOUTTGWLJFXHE-XQRVVYSFSA-N 1 0 270.376 3.491 20 10 CGCDRO C[C@H]1CSCC[N@@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC000835027763 634326516 /nfs/dbraw/zinc/32/65/16/634326516.db2.gz GTOKHHUFOOCBCQ-WSNITJDQSA-N 1 0 276.449 3.203 20 10 CGCDRO CCCCOCC[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835034988 634327525 /nfs/dbraw/zinc/32/75/25/634327525.db2.gz DEPJGPZLVRKRKH-VOTSOKGWSA-N 1 0 276.424 3.172 20 10 CGCDRO CCN(CC)C[C@@H](C)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835038508 634328827 /nfs/dbraw/zinc/32/88/27/634328827.db2.gz SZIHWVBKTJAPLP-ROJDOSBLSA-N 1 0 289.467 3.086 20 10 CGCDRO Cc1cc(C[C@@H](C)[NH2+]C/C=C/c2ccc(N(C)C)cc2)[nH]n1 ZINC000835043918 634331600 /nfs/dbraw/zinc/33/16/00/634331600.db2.gz VZVHQXVRRFTVQR-VBROQKIQSA-N 1 0 298.434 3.018 20 10 CGCDRO CN(C)c1ccc(/C=C/C[N@H+](CC(C)(C)O)C2CC2)cc1 ZINC000835045986 634332414 /nfs/dbraw/zinc/33/24/14/634332414.db2.gz MVAZHVXUYCYWQY-AATRIKPKSA-N 1 0 288.435 3.001 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H]2CSC2(C)C)cc1 ZINC000835049029 634335096 /nfs/dbraw/zinc/33/50/96/634335096.db2.gz DMZIQSKQYYGGOE-LLYBFZRZSA-N 1 0 276.449 3.249 20 10 CGCDRO CC(C)[C@H]([NH2+]C/C=C\c1ccc(N(C)C)cc1)C(C)(C)O ZINC000835049915 634336123 /nfs/dbraw/zinc/33/61/23/634336123.db2.gz KGJTYYFCVZIFMP-QWPQOLDESA-N 1 0 290.451 3.151 20 10 CGCDRO Cc1ccoc1C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835052283 634336986 /nfs/dbraw/zinc/33/69/86/634336986.db2.gz DVHDCWINYPISLO-SNAWJCMRSA-N 1 0 270.376 3.457 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+]CCC[C@@H]2CCOC2)cc1 ZINC000835053900 634337781 /nfs/dbraw/zinc/33/77/81/634337781.db2.gz FWAGTXLGWGWWRI-MAVJXHJTSA-N 1 0 288.435 3.172 20 10 CGCDRO CCC[C@]1([NH2+]C/C=C\c2ccc(N(C)C)cc2)CCOC1 ZINC000835053404 634338451 /nfs/dbraw/zinc/33/84/51/634338451.db2.gz MOFPPSKLAUFDRD-XFHJGTJQSA-N 1 0 288.435 3.315 20 10 CGCDRO COCC(C)(C)[N@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835055775 634339457 /nfs/dbraw/zinc/33/94/57/634339457.db2.gz OLENEVFQGWJCRH-FPLPWBNLSA-N 1 0 276.424 3.123 20 10 CGCDRO CC(C)[C@@H]([NH2+]Cc1cc(F)ccc1O)C1(CO)CCCC1 ZINC000835064871 634343532 /nfs/dbraw/zinc/34/35/32/634343532.db2.gz CFLQUGXWBYGNQV-MRXNPFEDSA-N 1 0 295.398 3.198 20 10 CGCDRO Cc1ccc(CC[NH2+]Cc2cc(C)c(C)cc2O)nc1 ZINC000835066476 634344208 /nfs/dbraw/zinc/34/42/08/634344208.db2.gz XBXNWKZRJFJASR-UHFFFAOYSA-N 1 0 270.376 3.045 20 10 CGCDRO COc1cc(O)c(C[NH2+][C@]2(C)CCCC[C@H]2C)cc1OC ZINC000835072391 634345101 /nfs/dbraw/zinc/34/51/01/634345101.db2.gz FBOFJRFIGVMXOY-SJKOYZFVSA-N 1 0 293.407 3.468 20 10 CGCDRO Cc1cccc(O)c1C[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC000876547601 634854671 /nfs/dbraw/zinc/85/46/71/634854671.db2.gz WDVOVIWYETWUJM-UHFFFAOYSA-N 1 0 285.343 3.061 20 10 CGCDRO Cc1cc([C@@H]2CCC[N@@H+]2Cc2c(C)cccc2O)no1 ZINC000876591520 634863313 /nfs/dbraw/zinc/86/33/13/634863313.db2.gz KBDRPRXIZHCQHP-HNNXBMFYSA-N 1 0 272.348 3.334 20 10 CGCDRO CC1(C)CCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876660884 634876865 /nfs/dbraw/zinc/87/68/65/634876865.db2.gz AZWIGRJWAWENGP-UHFFFAOYSA-N 1 0 288.435 3.022 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCO[C@H](c3ccsc3)C2)c(O)c1 ZINC000876778938 634897531 /nfs/dbraw/zinc/89/75/31/634897531.db2.gz SNQRILQFDAPHRM-INIZCTEOSA-N 1 0 289.400 3.336 20 10 CGCDRO COc1ccc(OC)c(C[NH2+]Cc2ccc(C)cc2O)c1 ZINC000876910379 634927640 /nfs/dbraw/zinc/92/76/40/634927640.db2.gz YODGDASTSIPSOA-UHFFFAOYSA-N 1 0 287.359 3.008 20 10 CGCDRO COc1cccc(C[NH2+]Cc2c(C)cccc2O)c1OC ZINC000876947415 634935334 /nfs/dbraw/zinc/93/53/34/634935334.db2.gz GPEQRPTTZUQNPR-UHFFFAOYSA-N 1 0 287.359 3.008 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000876986683 634942844 /nfs/dbraw/zinc/94/28/44/634942844.db2.gz IXIIVHLTPMZJKN-UHFFFAOYSA-N 1 0 296.414 3.373 20 10 CGCDRO Cc1csc([C@@H](C)[NH2+]Cc2ccc(C)cc2O)n1 ZINC000877002640 634948005 /nfs/dbraw/zinc/94/80/05/634948005.db2.gz BAQYLRUOZPASQJ-LLVKDONJSA-N 1 0 262.378 3.316 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc(C)cc1O)c1ccncc1 ZINC000877058577 634966669 /nfs/dbraw/zinc/96/66/69/634966669.db2.gz JSAZQYQCQNOOHW-OAHLLOKOSA-N 1 0 256.349 3.337 20 10 CGCDRO CCc1noc(CC)c1C[NH2+]Cc1ccc(C)cc1O ZINC000877109698 634986072 /nfs/dbraw/zinc/98/60/72/634986072.db2.gz QGGITRIIFWDVFI-UHFFFAOYSA-N 1 0 274.364 3.103 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000877194657 635011455 /nfs/dbraw/zinc/01/14/55/635011455.db2.gz BKDFNOHMXZHGKJ-INIZCTEOSA-N 1 0 282.387 3.160 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]CCC[C@@H]1CCCCO1 ZINC000877353093 635030223 /nfs/dbraw/zinc/03/02/23/635030223.db2.gz NMZJGEPOULCTLG-AWEZNQCLSA-N 1 0 263.381 3.140 20 10 CGCDRO COCC[C@@H]1CCCC[N@H+](Cc2c(C)cccc2O)C1 ZINC000877398273 635034491 /nfs/dbraw/zinc/03/44/91/635034491.db2.gz ODSQIRQPNBDJJE-HNNXBMFYSA-N 1 0 277.408 3.339 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000877500075 635062795 /nfs/dbraw/zinc/06/27/95/635062795.db2.gz AYMZGQVBUFFAAJ-CQSZACIVSA-N 1 0 268.360 3.085 20 10 CGCDRO CO[C@@](C)([C@H](C)[NH2+][C@H]1CCc2cccc(O)c21)C1CC1 ZINC000840859532 635067205 /nfs/dbraw/zinc/06/72/05/635067205.db2.gz NCPMXOPEMUBVJX-YLVFBTJISA-N 1 0 275.392 3.173 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCC[C@H]2c2cccnc2)c(O)c1 ZINC000877524036 635072078 /nfs/dbraw/zinc/07/20/78/635072078.db2.gz QJEYCNVVVDRCNT-INIZCTEOSA-N 1 0 268.360 3.433 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)c1cc(Cl)ccc1O)[C@H](O)C(C)C ZINC000840882124 635072769 /nfs/dbraw/zinc/07/27/69/635072769.db2.gz MKWAMVRJFRQNTP-RIEGTJTDSA-N 1 0 285.815 3.492 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)c1cc(C)ccc1O)[C@@H](O)C(C)C ZINC000840883076 635073067 /nfs/dbraw/zinc/07/30/67/635073067.db2.gz RSLCYJVRPYLRBC-INWMFGNUSA-N 1 0 265.397 3.147 20 10 CGCDRO CO[C@H](C[NH2+]Cc1c(O)cc(C)cc1Cl)C(F)(F)F ZINC000840899073 635078182 /nfs/dbraw/zinc/07/81/82/635078182.db2.gz NIJFXFFXZCTAPP-LLVKDONJSA-N 1 0 297.704 3.021 20 10 CGCDRO Cc1ccc([C@H](O)C[NH2+]Cc2c(O)cc(C)cc2Cl)o1 ZINC000840897738 635078362 /nfs/dbraw/zinc/07/83/62/635078362.db2.gz AFBDUKUAUQHJGR-CQSZACIVSA-N 1 0 295.766 3.079 20 10 CGCDRO CCOC1(C)CC[NH+](Cc2ccc(C)cc2O)CC1 ZINC000877543674 635082077 /nfs/dbraw/zinc/08/20/77/635082077.db2.gz JGJCNVWJDUWHQL-UHFFFAOYSA-N 1 0 263.381 3.092 20 10 CGCDRO COC1CCC(C[NH2+]Cc2ccc(N(C)C)cc2C)CC1 ZINC000840935613 635084850 /nfs/dbraw/zinc/08/48/50/635084850.db2.gz VUORHKIPUWQNPT-UHFFFAOYSA-N 1 0 290.451 3.356 20 10 CGCDRO CS[C@@H]1CC[C@H]1[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840936842 635085428 /nfs/dbraw/zinc/08/54/28/635085428.db2.gz GVYKTAIRJNLEKC-HUUCEWRRSA-N 1 0 264.438 3.045 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCC[C@H]1CCCCO1 ZINC000840939801 635087502 /nfs/dbraw/zinc/08/75/02/635087502.db2.gz RFGLTUXQCRMQEC-GOSISDBHSA-N 1 0 290.451 3.500 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](OC(F)F)C2)c(Cl)c1 ZINC000840943171 635087995 /nfs/dbraw/zinc/08/79/95/635087995.db2.gz ISMADNRCNIDDEH-VIFPVBQESA-N 1 0 291.725 3.168 20 10 CGCDRO CCC[C@]1([NH2+]Cc2ccc(N(C)C)cc2C)CCOC1 ZINC000840947434 635089417 /nfs/dbraw/zinc/08/94/17/635089417.db2.gz SVQKIABITLFPKZ-KRWDZBQOSA-N 1 0 276.424 3.110 20 10 CGCDRO Cc1cc(C)c(C[NH2+]Cc2ccc(N(C)C)cc2C)cn1 ZINC000840952149 635090975 /nfs/dbraw/zinc/09/09/75/635090975.db2.gz SNDNKPREKDYEBE-UHFFFAOYSA-N 1 0 283.419 3.363 20 10 CGCDRO CCC[C@@H](C[NH2+]Cc1c(O)cc(C)cc1Cl)OC ZINC000840949841 635091167 /nfs/dbraw/zinc/09/11/67/635091167.db2.gz BAMATRWVUMQFME-NSHDSACASA-N 1 0 271.788 3.259 20 10 CGCDRO CO[C@@](C)([C@H](C)[NH2+]Cc1ccc(N(C)C)cc1C)C1CC1 ZINC000840961690 635094147 /nfs/dbraw/zinc/09/41/47/635094147.db2.gz XTTAJMLCIQDAPX-KSSFIOAISA-N 1 0 290.451 3.354 20 10 CGCDRO CCOc1cccc(C[NH2+]CC(C)(C)OCC2CC2)c1O ZINC000840960236 635094262 /nfs/dbraw/zinc/09/42/62/635094262.db2.gz HYJZSSFTHGLVOF-UHFFFAOYSA-N 1 0 293.407 3.086 20 10 CGCDRO Cc1ccc(F)cc1C[NH2+]CCc1ccc(N)cc1 ZINC000841036554 635111176 /nfs/dbraw/zinc/11/11/76/635111176.db2.gz VBXCYIYACYVXBH-UHFFFAOYSA-N 1 0 258.340 3.049 20 10 CGCDRO CC(C)CC[C@H](C)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000841045367 635114571 /nfs/dbraw/zinc/11/45/71/635114571.db2.gz KIIYQFPMQRWZDA-YOEHRIQHSA-N 1 0 277.456 3.167 20 10 CGCDRO Cc1cnc(CC[NH2+]Cc2c(C)cccc2O)c(C)c1 ZINC000877618233 635115767 /nfs/dbraw/zinc/11/57/67/635115767.db2.gz MGCLMPMJABQDQK-UHFFFAOYSA-N 1 0 270.376 3.045 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2cccc3c2CCCN3)c1 ZINC000841083058 635118703 /nfs/dbraw/zinc/11/87/03/635118703.db2.gz MREGTPLCFQRROH-UHFFFAOYSA-N 1 0 282.387 3.349 20 10 CGCDRO Cc1ccc(CN2CCC(C)([NH+]3CCCC3)CC2)c(O)c1 ZINC000877673281 635141007 /nfs/dbraw/zinc/14/10/07/635141007.db2.gz CVDZTZCWTHVKHI-UHFFFAOYSA-N 1 0 288.435 3.151 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CC[C@H](C)SC1)c1ccccc1O ZINC000877755587 635184115 /nfs/dbraw/zinc/18/41/15/635184115.db2.gz HCTZFSABFBWDAJ-TUAOUCFPSA-N 1 0 251.395 3.327 20 10 CGCDRO Cc1nn(C(C)C)cc1C[NH2+][C@H](C)c1ccccc1O ZINC000877755976 635184145 /nfs/dbraw/zinc/18/41/45/635184145.db2.gz WAOOGPCJDXBJST-CYBMUJFWSA-N 1 0 273.380 3.329 20 10 CGCDRO C[C@@H]([NH2+]Cc1cc(F)ccc1N(C)C)c1ccccc1O ZINC000877757425 635185837 /nfs/dbraw/zinc/18/58/37/635185837.db2.gz JDYADWGFBFSXLU-GFCCVEGCSA-N 1 0 288.366 3.448 20 10 CGCDRO COCCCC[N@H+](C)Cc1cc2c(cc1O)CCCC2 ZINC000841692555 635214059 /nfs/dbraw/zinc/21/40/59/635214059.db2.gz SCNQBBNJAWWVJH-UHFFFAOYSA-N 1 0 277.408 3.129 20 10 CGCDRO C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(Cl)cc1[O-] ZINC000841746384 635222033 /nfs/dbraw/zinc/22/20/33/635222033.db2.gz FTKRZXYCUPCLLW-LLVKDONJSA-N 1 0 282.815 3.038 20 10 CGCDRO C[C@@H]([NH2+]CCOCC(F)(F)F)c1ccc(Cl)cc1O ZINC000841746593 635222490 /nfs/dbraw/zinc/22/24/90/635222490.db2.gz IZLFTSXEWVJOGO-MRVPVSSYSA-N 1 0 297.704 3.275 20 10 CGCDRO Cc1nn(C)c(C)c1C[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841746396 635222845 /nfs/dbraw/zinc/22/28/45/635222845.db2.gz GDSZRTFDUQBKOD-SECBINFHSA-N 1 0 293.798 3.247 20 10 CGCDRO C[C@H]([NH2+]CCc1nccs1)c1ccc(Cl)cc1O ZINC000841748688 635223570 /nfs/dbraw/zinc/22/35/70/635223570.db2.gz YEPSNXNJZBIGCK-VIFPVBQESA-N 1 0 282.796 3.395 20 10 CGCDRO C[C@@H]([NH2+][C@H](CO)c1ccsc1)c1ccc(Cl)cc1O ZINC000841751017 635225612 /nfs/dbraw/zinc/22/56/12/635225612.db2.gz FAZAZCDIJFBVDI-NOZJJQNGSA-N 1 0 297.807 3.491 20 10 CGCDRO C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccc(Cl)cc1[O-] ZINC000841753185 635227249 /nfs/dbraw/zinc/22/72/49/635227249.db2.gz KXNYUVNOCHBULC-GFCCVEGCSA-N 1 0 296.842 3.428 20 10 CGCDRO C[C@@H]([NH2+]CCN1CCC[C@@H]1C)c1ccc(Cl)cc1O ZINC000841754846 635228738 /nfs/dbraw/zinc/22/87/38/635228738.db2.gz MONLOHTZGXFTFW-NWDGAFQWSA-N 1 0 282.815 3.181 20 10 CGCDRO Cc1nccnc1CC[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841755563 635230235 /nfs/dbraw/zinc/23/02/35/635230235.db2.gz JHLORAHZJOEOJI-SNVBAGLBSA-N 1 0 291.782 3.037 20 10 CGCDRO C[C@H]([NH2+][C@H](CO)C1CCCC1)c1ccc(Cl)cc1O ZINC000841758109 635230999 /nfs/dbraw/zinc/23/09/99/635230999.db2.gz SDDUOQQYPXKTGT-IINYFYTJSA-N 1 0 283.799 3.247 20 10 CGCDRO C[C@@H]([NH2+][C@H](CO)C1CCCC1)c1ccc(Cl)cc1O ZINC000841758112 635232041 /nfs/dbraw/zinc/23/20/41/635232041.db2.gz SDDUOQQYPXKTGT-QMTHXVAHSA-N 1 0 283.799 3.247 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2COCc3ccccc32)c1 ZINC000841760417 635233476 /nfs/dbraw/zinc/23/34/76/635233476.db2.gz KIPZIWHVBZPDDF-PXAZEXFGSA-N 1 0 299.370 3.323 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+][C@H]1COCc2ccccc21 ZINC000841891441 635248497 /nfs/dbraw/zinc/24/84/97/635248497.db2.gz PTVDEGKPTUEQQV-HNNXBMFYSA-N 1 0 289.762 3.407 20 10 CGCDRO COCCCC[N@H+](C)Cc1cc(Cl)cc(C)c1O ZINC000841893575 635249029 /nfs/dbraw/zinc/24/90/29/635249029.db2.gz GVLDTHVTSZOXMJ-UHFFFAOYSA-N 1 0 271.788 3.212 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CCSC[C@H]2C2CCC2)c1 ZINC000841893028 635249181 /nfs/dbraw/zinc/24/91/81/635249181.db2.gz CEJVVMWRPLCWDW-HNNXBMFYSA-N 1 0 293.432 3.118 20 10 CGCDRO CCN(C)c1ccc(C[N@H+](C)CCCCOC)cc1 ZINC000842170672 635304412 /nfs/dbraw/zinc/30/44/12/635304412.db2.gz AYEOIDXEAKICGT-UHFFFAOYSA-N 1 0 264.413 3.001 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCC(C)(C)CO2)c1 ZINC000878360361 635473916 /nfs/dbraw/zinc/47/39/16/635473916.db2.gz LXMVNZXFWDDTAO-OCCSQVGLSA-N 1 0 293.407 3.257 20 10 CGCDRO CC[C@H](C)C[C@@H](CO)[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000842916407 635511997 /nfs/dbraw/zinc/51/19/97/635511997.db2.gz JQXWNCITHZZWCF-GLQYFDAESA-N 1 0 279.424 3.457 20 10 CGCDRO CC[C@H](C)C[C@@H](CO)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000842920923 635512135 /nfs/dbraw/zinc/51/21/35/635512135.db2.gz ZYDGGTVOVXQKRR-GVXVVHGQSA-N 1 0 285.815 3.493 20 10 CGCDRO Cc1cc(O)c(CN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(Cl)c1 ZINC000843047594 635550047 /nfs/dbraw/zinc/55/00/47/635550047.db2.gz YMZRQJBHLHKEHQ-FUNVUKJBSA-N 1 0 294.826 3.069 20 10 CGCDRO CC[C@H]1C[C@@H](CN2CCCc3cc(C[NH3+])ccc32)CCO1 ZINC000843058205 635553313 /nfs/dbraw/zinc/55/33/13/635553313.db2.gz OOOUVYMBOAACLT-RDJZCZTQSA-N 1 0 288.435 3.103 20 10 CGCDRO CCc1ccc([C@H]2C[NH2+]CCN2Cc2ccccc2O)cc1 ZINC000843118572 635560496 /nfs/dbraw/zinc/56/04/96/635560496.db2.gz MQMHOVVCJINLDQ-GOSISDBHSA-N 1 0 296.414 3.101 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H](C)CC(F)F ZINC000843418978 635662982 /nfs/dbraw/zinc/66/29/82/635662982.db2.gz NFIAKQGTMOFWJM-LLVKDONJSA-N 1 0 270.367 3.442 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C2(c3ccccc3OC)CC2)c1 ZINC000843423062 635666376 /nfs/dbraw/zinc/66/63/76/635666376.db2.gz VCWYYFOGMJGIKL-UHFFFAOYSA-N 1 0 299.370 3.188 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000843433154 635674351 /nfs/dbraw/zinc/67/43/51/635674351.db2.gz VDJJDDHWOHJBBY-HNNXBMFYSA-N 1 0 288.435 3.204 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000843433840 635674510 /nfs/dbraw/zinc/67/45/10/635674510.db2.gz FBKRFWMXQAYZSJ-FVQBIDKESA-N 1 0 258.409 3.339 20 10 CGCDRO CCC[NH+]1CCC([NH2+]Cc2cccc(Cl)c2[O-])CC1 ZINC000127870987 635817331 /nfs/dbraw/zinc/81/73/31/635817331.db2.gz SLDMGJPFXSYTCT-UHFFFAOYSA-N 1 0 282.815 3.010 20 10 CGCDRO Cc1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2O)c1 ZINC000879649340 635826945 /nfs/dbraw/zinc/82/69/45/635826945.db2.gz QQSYMWWLKDJAHI-KGLIPLIRSA-N 1 0 298.386 3.378 20 10 CGCDRO CC[C@@H]1C[N@H+](Cc2cc(C)c(C)cc2O)[C@H](C)CO1 ZINC000844729337 635957236 /nfs/dbraw/zinc/95/72/36/635957236.db2.gz HSXRYMFUESTGKS-UKRRQHHQSA-N 1 0 263.381 3.008 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H](C)c2ccccc2O)cc1[N+](=O)[O-] ZINC000845991696 636127471 /nfs/dbraw/zinc/12/74/71/636127471.db2.gz VKJVWXOFLNYHPO-LBPRGKRZSA-N 1 0 286.331 3.460 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@](C)(O)c1ccccc1 ZINC000846038610 636135449 /nfs/dbraw/zinc/13/54/49/636135449.db2.gz NGIJJKVSZJXMTR-LIRRHRJNSA-N 1 0 297.398 3.007 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H](C)[C@](C)(O)c2ccccc2)c1 ZINC000846040836 636136806 /nfs/dbraw/zinc/13/68/06/636136806.db2.gz WPUXQZGIRWWURY-KDOFPFPSSA-N 1 0 285.387 3.086 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H](C2CC2)C2CCOCC2)cc1C ZINC000846042340 636137216 /nfs/dbraw/zinc/13/72/16/636137216.db2.gz KEUKRKUTCUEUIL-SFHVURJKSA-N 1 0 289.419 3.304 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000846117149 636146955 /nfs/dbraw/zinc/14/69/55/636146955.db2.gz NMBXZTCOHQEPJJ-GFCCVEGCSA-N 1 0 273.710 3.277 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](CC(C)C)N(C)C)c1O ZINC000846139409 636148676 /nfs/dbraw/zinc/14/86/76/636148676.db2.gz UHJWTMZOONDYHC-ZIAGYGMSSA-N 1 0 294.439 3.028 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]CCc2nc(C)cs2)c1O ZINC000846139212 636148738 /nfs/dbraw/zinc/14/87/38/636148738.db2.gz KTPPJGGUODBUBV-LLVKDONJSA-N 1 0 292.404 3.059 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]CCCOCC(C)C)c1O ZINC000846138279 636148835 /nfs/dbraw/zinc/14/88/35/636148835.db2.gz ZXNJPLOGBTZSFP-CYBMUJFWSA-N 1 0 281.396 3.114 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]CCc2ccccc2F)c1O ZINC000846137281 636149013 /nfs/dbraw/zinc/14/90/13/636149013.db2.gz MYZHPSHMVLSDNM-LBPRGKRZSA-N 1 0 289.350 3.433 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]Cc2ncc(C)s2)c1O ZINC000846145003 636149329 /nfs/dbraw/zinc/14/93/29/636149329.db2.gz JIEJEYGKLPWPSG-JTQLQIEISA-N 1 0 278.377 3.017 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]C[C@H]2CC=CCC2)c1O ZINC000846142899 636149475 /nfs/dbraw/zinc/14/94/75/636149475.db2.gz GNKIHYKXNVKGLI-OLZOCXBDSA-N 1 0 261.365 3.408 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@H]2CC=CCC2)c1O ZINC000846142907 636149491 /nfs/dbraw/zinc/14/94/91/636149491.db2.gz GNKIHYKXNVKGLI-STQMWFEESA-N 1 0 261.365 3.408 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]Cc2sc(C)nc2C)c1O ZINC000846146151 636149738 /nfs/dbraw/zinc/14/97/38/636149738.db2.gz NUAFHDWAVHMZQL-SECBINFHSA-N 1 0 292.404 3.325 20 10 CGCDRO COCCC1(C[NH2+][C@H](C)c2cccc(OC)c2O)CCC1 ZINC000846149594 636149833 /nfs/dbraw/zinc/14/98/33/636149833.db2.gz KIHFNFQEJXMNJJ-CYBMUJFWSA-N 1 0 293.407 3.258 20 10 CGCDRO CCC(CC)C[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846147117 636149849 /nfs/dbraw/zinc/14/98/49/636149849.db2.gz TUZZEVVGYDTDIX-LLVKDONJSA-N 1 0 251.370 3.488 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@H]2CCC(F)(F)C2)c1O ZINC000846168713 636152151 /nfs/dbraw/zinc/15/21/51/636152151.db2.gz UGHBQAFYHIYVTM-QWRGUYRKSA-N 1 0 285.334 3.487 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@H]2CC[C@@H](C)C2)c1O ZINC000846166860 636152156 /nfs/dbraw/zinc/15/21/56/636152156.db2.gz DRZJWGCMLMPMDD-AGIUHOORSA-N 1 0 263.381 3.488 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)C2(OC)CCC2)c1O ZINC000846171053 636153015 /nfs/dbraw/zinc/15/30/15/636153015.db2.gz CTEKLTUPAKBEBC-RYUDHWBXSA-N 1 0 279.380 3.009 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@H]2CCCSC2)c1O ZINC000846170998 636153060 /nfs/dbraw/zinc/15/30/60/636153060.db2.gz NZJMAWUEOBIBBW-NWDGAFQWSA-N 1 0 281.421 3.195 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2COCc3ccccc32)c1O ZINC000846173429 636153644 /nfs/dbraw/zinc/15/36/44/636153644.db2.gz QTGZRKXJGBQTCF-MLGOLLRUSA-N 1 0 299.370 3.323 20 10 CGCDRO C[C@H]([NH2+][C@H](C1CC1)C1CCOCC1)c1cc(F)ccc1O ZINC000846188945 636156278 /nfs/dbraw/zinc/15/62/78/636156278.db2.gz RGQHPVYZDNIWNG-APPDUMDISA-N 1 0 293.382 3.387 20 10 CGCDRO Oc1ccccc1C[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000130439678 636451948 /nfs/dbraw/zinc/45/19/48/636451948.db2.gz YMPBNMVSMXJTAO-OAHLLOKOSA-N 1 0 273.763 3.303 20 10 CGCDRO Oc1ccccc1C[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000130439884 636452213 /nfs/dbraw/zinc/45/22/13/636452213.db2.gz YMPBNMVSMXJTAO-HNNXBMFYSA-N 1 0 273.763 3.303 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CC[C@H](C)SC1 ZINC000848530468 636590921 /nfs/dbraw/zinc/59/09/21/636590921.db2.gz HHTUZIBWQJUGMN-ZFWWWQNUSA-N 1 0 278.465 3.435 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@H](C2CC2)[C@H]2CCCCO2)cc1 ZINC000848560012 636605767 /nfs/dbraw/zinc/60/57/67/636605767.db2.gz IXZIMUMAFLDIOX-QZTJIDSGSA-N 1 0 288.435 3.190 20 10 CGCDRO COCC1(C[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)CC1 ZINC000848560709 636606377 /nfs/dbraw/zinc/60/63/77/636606377.db2.gz JWBQCFCKXULQHC-CYBMUJFWSA-N 1 0 289.419 3.348 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+][C@@H](C1CC1)[C@@H]1CCCCO1 ZINC000848560696 636606524 /nfs/dbraw/zinc/60/65/24/636606524.db2.gz QCYGMMHBOZUHQD-HOTGVXAUSA-N 1 0 295.810 3.483 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)C(=O)OC(C)(C)C)c(O)c1 ZINC000848563903 636607281 /nfs/dbraw/zinc/60/72/81/636607281.db2.gz YWVRACCBPCAVFU-CHWSQXEVSA-N 1 0 293.407 3.329 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](C)C(=O)OC(C)(C)C)c1 ZINC000848563851 636607534 /nfs/dbraw/zinc/60/75/34/636607534.db2.gz XPBIRCNGNBSRPE-STQMWFEESA-N 1 0 293.407 3.329 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@H]1CCC3(CCCC3)O1)CC2 ZINC000848570106 636611868 /nfs/dbraw/zinc/61/18/68/636611868.db2.gz HIVUFRQFLUAGHK-CABCVRRESA-N 1 0 287.403 3.461 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCO[C@H](c3ccco3)C2)c1O ZINC000848889554 636676027 /nfs/dbraw/zinc/67/60/27/636676027.db2.gz MEDLLQHCKAIATR-INIZCTEOSA-N 1 0 287.359 3.121 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCO[C@@H](c3ccco3)C2)c1O ZINC000848889555 636677929 /nfs/dbraw/zinc/67/79/29/636677929.db2.gz MEDLLQHCKAIATR-MRXNPFEDSA-N 1 0 287.359 3.121 20 10 CGCDRO CCc1cccc(C[NH2+]CCOc2ccccc2F)c1O ZINC000848890419 636678024 /nfs/dbraw/zinc/67/80/24/636678024.db2.gz IJZRMUNVDHOFFL-UHFFFAOYSA-N 1 0 289.350 3.262 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@@H](O)c2ccccc2C)c1O ZINC000848895910 636679729 /nfs/dbraw/zinc/67/97/29/636679729.db2.gz RNKUZQALNCYXCX-QGZVFWFLSA-N 1 0 285.387 3.086 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@H](c2ccccc2)N(C)C)c1O ZINC000848901441 636681643 /nfs/dbraw/zinc/68/16/43/636681643.db2.gz ZULJZJLBQVRMQP-GOSISDBHSA-N 1 0 298.430 3.347 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@H]2COc3ccccc32)c1O ZINC000848912262 636687259 /nfs/dbraw/zinc/68/72/59/636687259.db2.gz CUWNEVKIOHUVSV-HNNXBMFYSA-N 1 0 283.371 3.220 20 10 CGCDRO CCc1cccc(C[NH2+][C@H](C)[C@](C)(OC)C2CC2)c1O ZINC000848917808 636690150 /nfs/dbraw/zinc/69/01/50/636690150.db2.gz XPQKNNBVXFAHLZ-PXAZEXFGSA-N 1 0 277.408 3.248 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)c1cccc(OC)c1O)[C@H]1CCCOC1 ZINC000883353300 636694777 /nfs/dbraw/zinc/69/47/77/636694777.db2.gz RSLMTZAUWVGEMM-IPYPFGDCSA-N 1 0 293.407 3.257 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cc(C)c(C)cc1O)[C@H]1CCCOC1 ZINC000883353181 636694904 /nfs/dbraw/zinc/69/49/04/636694904.db2.gz PSCPBGLLWXNRCE-GOEBONIOSA-N 1 0 277.408 3.304 20 10 CGCDRO CC[C@H]([NH2+]Cc1cccc(C)c1O)[C@@H]1CCCCO1 ZINC000848927859 636700419 /nfs/dbraw/zinc/70/04/19/636700419.db2.gz PFFUHIREXPWIBF-GJZGRUSLSA-N 1 0 263.381 3.138 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCC[C@]23CCCO3)c(O)c1 ZINC000883369075 636710141 /nfs/dbraw/zinc/71/01/41/636710141.db2.gz IPNOBDCDZGSIIR-XYPHTWIQSA-N 1 0 275.392 3.453 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+][C@@H]1CCC[C@]13CCCO3)CC2 ZINC000883369206 636710155 /nfs/dbraw/zinc/71/01/55/636710155.db2.gz LVNRUCMYMUVXIO-LXZKKBNFSA-N 1 0 273.376 3.071 20 10 CGCDRO COC[C@H](C)C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000131905564 636764123 /nfs/dbraw/zinc/76/41/23/636764123.db2.gz MBBCMVHRCGUXGT-MRXNPFEDSA-N 1 0 290.451 3.391 20 10 CGCDRO COCC(C)(C)[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850118583 636963485 /nfs/dbraw/zinc/96/34/85/636963485.db2.gz UQGLMAYTKXFNNB-UHFFFAOYSA-N 1 0 295.423 3.213 20 10 CGCDRO CCC(CC)C[NH2+][C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850345691 637021444 /nfs/dbraw/zinc/02/14/44/637021444.db2.gz HYVPMZZJBAXBMV-HNNXBMFYSA-N 1 0 276.424 3.300 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CCO[C@@H]2CC2(F)F)cc1 ZINC000850365995 637030092 /nfs/dbraw/zinc/03/00/92/637030092.db2.gz WLSFZDGIAYDYFH-OAHLLOKOSA-N 1 0 298.377 3.047 20 10 CGCDRO COc1cccc(O)c1C[NH2+][C@@H]1CCc2ccccc21 ZINC000850373322 637035772 /nfs/dbraw/zinc/03/57/72/637035772.db2.gz JAJKNUVSXARHKX-OAHLLOKOSA-N 1 0 269.344 3.178 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@H]([C@H]3CCCO3)C2)c1 ZINC000884482709 637041389 /nfs/dbraw/zinc/04/13/89/637041389.db2.gz GSJCFEXGQLQWOP-GOEBONIOSA-N 1 0 275.392 3.010 20 10 CGCDRO CC[C@@](C)([NH2+]Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000850383779 637041839 /nfs/dbraw/zinc/04/18/39/637041839.db2.gz IXLGYGAMBSRVBT-GOSISDBHSA-N 1 0 288.435 3.192 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)cc1 ZINC000850393421 637045443 /nfs/dbraw/zinc/04/54/43/637045443.db2.gz SIARFMOJASIIDC-BJWYYQGGSA-N 1 0 258.409 3.421 20 10 CGCDRO CC1(C)[C@H](C[NH2+]Cc2cc(Cl)ccc2O)C1(F)F ZINC000850393407 637045486 /nfs/dbraw/zinc/04/54/86/637045486.db2.gz CEBMVJXLGZSDRI-NSHDSACASA-N 1 0 275.726 3.427 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCCc2ccco2)cc1C ZINC000850408012 637052066 /nfs/dbraw/zinc/05/20/66/637052066.db2.gz VAEUYPILWDMSQH-UHFFFAOYSA-N 1 0 259.349 3.324 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCCn3nccc32)cc1 ZINC000850423509 637056094 /nfs/dbraw/zinc/05/60/94/637056094.db2.gz ANLXGKUFLPIJMK-KRWDZBQOSA-N 1 0 298.434 3.354 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@H]2COC(C)(C)C2)c(O)c1 ZINC000850482332 637085688 /nfs/dbraw/zinc/08/56/88/637085688.db2.gz OIICTXKQNDIMGF-QWHCGFSZSA-N 1 0 263.381 3.227 20 10 CGCDRO CC[C@H]([NH2+][C@H]1COC(C)(C)C1)c1ccc(N(C)C)cc1 ZINC000850482040 637086142 /nfs/dbraw/zinc/08/61/42/637086142.db2.gz MGHHGELMHHIHRF-ZBFHGGJFSA-N 1 0 276.424 3.361 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2COC(C)(C)C2)cc1 ZINC000850482845 637087042 /nfs/dbraw/zinc/08/70/42/637087042.db2.gz SGDMORHOFRQIJJ-UKRRQHHQSA-N 1 0 276.424 3.361 20 10 CGCDRO CCC[C@H](C)[NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850487888 637088142 /nfs/dbraw/zinc/08/81/42/637088142.db2.gz JXJDFDNHXOLJJR-UONOGXRCSA-N 1 0 262.397 3.052 20 10 CGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)C(C)(C)C)C2)cc1 ZINC000850489278 637088766 /nfs/dbraw/zinc/08/87/66/637088766.db2.gz SMRBYFXXBLGJJG-UONOGXRCSA-N 1 0 276.424 3.298 20 10 CGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)c3ccccn3)C2)cc1 ZINC000850489457 637088864 /nfs/dbraw/zinc/08/88/64/637088864.db2.gz URLJTBRKABVOSX-LSDHHAIUSA-N 1 0 297.402 3.020 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCc2ccc(O)cc21)c1ccccc1O ZINC000850543587 637115518 /nfs/dbraw/zinc/11/55/18/637115518.db2.gz MQFNKYXJDLIQAI-ZBEGNZNMSA-N 1 0 269.344 3.436 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)CN1CCC(C)CC1)c1cc(F)ccc1O ZINC000850543491 637116117 /nfs/dbraw/zinc/11/61/17/637116117.db2.gz KMNDNZVVCPKNPV-UONOGXRCSA-N 1 0 294.414 3.302 20 10 CGCDRO CC[C@H]([NH2+][C@H]1C[C@@H](O)C12CCC2)c1ccc(C)cc1O ZINC000850545837 637116656 /nfs/dbraw/zinc/11/66/56/637116656.db2.gz IJYXQFDBUOYYMM-CWRNSKLLSA-N 1 0 275.392 3.045 20 10 CGCDRO Cc1cncc(CC[NH2+][C@H](C)c2ccc(Cl)cc2O)n1 ZINC000850549220 637117933 /nfs/dbraw/zinc/11/79/33/637117933.db2.gz FGHAJMPSRDYGAQ-LLVKDONJSA-N 1 0 291.782 3.037 20 10 CGCDRO CC1(C)[C@@H](C[NH2+][C@@H]2CCc3cccc(O)c32)C1(F)F ZINC000850553291 637119318 /nfs/dbraw/zinc/11/93/18/637119318.db2.gz VMECOAUSEJPYSU-ZYHUDNBSSA-N 1 0 267.319 3.260 20 10 CGCDRO CCCC[C@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850566654 637127153 /nfs/dbraw/zinc/12/71/53/637127153.db2.gz QMBHBUHNMLOADI-HNNXBMFYSA-N 1 0 290.451 3.316 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1C[C@]1(C)OC)c1cc(Cl)ccc1O ZINC000850569868 637127696 /nfs/dbraw/zinc/12/76/96/637127696.db2.gz BWFHAHZHMLFEAE-BNOWGMLFSA-N 1 0 269.772 3.264 20 10 CGCDRO C[C@H](O)[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1ccccc1 ZINC000850585414 637132801 /nfs/dbraw/zinc/13/28/01/637132801.db2.gz XYCUPSHBOOISRO-NVGCLXPQSA-N 1 0 289.350 3.304 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1CC[C@H](C2CC2)O1)c1ccc(N(C)C)cc1 ZINC000886142775 637432865 /nfs/dbraw/zinc/43/28/65/637432865.db2.gz KSFAVXXSASAXPB-MORSLUCNSA-N 1 0 288.435 3.361 20 10 CGCDRO CCn1nccc1C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000853241867 637792290 /nfs/dbraw/zinc/79/22/90/637792290.db2.gz YLBUZKHNPQZWRQ-NSHDSACASA-N 1 0 293.798 3.421 20 10 CGCDRO COc1ccc(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)c(O)c1 ZINC000111398375 637861076 /nfs/dbraw/zinc/86/10/76/637861076.db2.gz BDGHTDRUGAOUTR-RDJZCZTQSA-N 1 0 283.371 3.294 20 10 CGCDRO Cc1c(C[NH2+][C@H](C)c2ccccc2O)cccc1[N+](=O)[O-] ZINC000223661430 637881885 /nfs/dbraw/zinc/88/18/85/637881885.db2.gz QVBUPWQSVGLWDM-GFCCVEGCSA-N 1 0 286.331 3.460 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CNCC[C@@H]1c1ccccc1)c1ccccc1O ZINC000854222967 638026579 /nfs/dbraw/zinc/02/65/79/638026579.db2.gz PSDGMQGPWXWZLT-BMGDILEWSA-N 1 0 296.414 3.189 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CC[C@H]2CC2(Cl)Cl)cc1 ZINC000856807999 638393870 /nfs/dbraw/zinc/39/38/70/638393870.db2.gz UKXVVSLIDDLPQD-LBPRGKRZSA-N 1 0 287.234 3.426 20 10 CGCDRO CCCN(CCC)c1ccc(C[NH2+]CC[C@@H](C)O)cc1 ZINC000114771320 638427189 /nfs/dbraw/zinc/42/71/89/638427189.db2.gz BWJHYWHDPWAPHI-OAHLLOKOSA-N 1 0 278.440 3.174 20 10 CGCDRO Cc1nccnc1C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000857021166 638429822 /nfs/dbraw/zinc/42/98/22/638429822.db2.gz KDWOBQIEOZVIPO-UHFFFAOYSA-N 1 0 297.402 3.435 20 10 CGCDRO C[C@@H]1COC[C@@H]1[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000925014236 638437109 /nfs/dbraw/zinc/43/71/09/638437109.db2.gz ZDUOWRHPHYWBEQ-QAPCUYQASA-N 1 0 288.435 3.047 20 10 CGCDRO CCOc1ccc(O)c(C[NH+]2CC(CC3CC3)C2)c1 ZINC000857066868 638448660 /nfs/dbraw/zinc/44/86/60/638448660.db2.gz YRRWPLWVGUHGOK-UHFFFAOYSA-N 1 0 261.365 3.023 20 10 CGCDRO Cc1cc(C[NH2+][C@H](C)Cc2ccc(N(C)C)cc2C)ccn1 ZINC000858179815 638650644 /nfs/dbraw/zinc/65/06/44/638650644.db2.gz URYVSWDPSSHVCF-MRXNPFEDSA-N 1 0 297.446 3.485 20 10 CGCDRO CN(C)c1cc(F)c(C[NH2+]C2(C)CC=CC2)cc1F ZINC000858186349 638652106 /nfs/dbraw/zinc/65/21/06/638652106.db2.gz YWGONLBQKABJLP-UHFFFAOYSA-N 1 0 266.335 3.229 20 10 CGCDRO C[C@H]1CCC[C@@H](C[NH2+]Cc2cc(F)c(N(C)C)cc2F)O1 ZINC000858192665 638656111 /nfs/dbraw/zinc/65/61/11/638656111.db2.gz OHPMOYRNIOONAO-AAEUAGOBSA-N 1 0 298.377 3.078 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]Cc2cc(C)ccc2O)c1 ZINC000858237733 638661655 /nfs/dbraw/zinc/66/16/55/638661655.db2.gz PMFBOAILXRPKQY-UHFFFAOYSA-N 1 0 287.359 3.095 20 10 CGCDRO C[C@@H]([NH2+]CC[C@H]1CCCOC1)c1ccc(N(C)C)cc1 ZINC000858445154 638721680 /nfs/dbraw/zinc/72/16/80/638721680.db2.gz BDGFSXIKNGWJIK-HUUCEWRRSA-N 1 0 276.424 3.220 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H]1CCCN1CC(F)F)c1ccccc1O ZINC000858479279 638734629 /nfs/dbraw/zinc/73/46/29/638734629.db2.gz MVWQQMAFRKZQEX-TZMCWYRMSA-N 1 0 298.377 3.162 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCN2CC(F)F)c(O)c1 ZINC000858479078 638735285 /nfs/dbraw/zinc/73/52/85/638735285.db2.gz IGIFFIXBCXMVOC-CHWSQXEVSA-N 1 0 298.377 3.081 20 10 CGCDRO C[C@H]([NH2+]CC1COC1)c1ccc(N2CCCCCC2)cc1 ZINC000858550668 638760059 /nfs/dbraw/zinc/76/00/59/638760059.db2.gz ROLFQEZHYUUZTB-HNNXBMFYSA-N 1 0 288.435 3.364 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H](C)c1ccnnc1 ZINC000926596509 638789782 /nfs/dbraw/zinc/78/97/82/638789782.db2.gz OXPZTGXGQJUYPF-GJZGRUSLSA-N 1 0 298.434 3.133 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H](C)C2CCSCC2)c1 ZINC000187343182 638816110 /nfs/dbraw/zinc/81/61/10/638816110.db2.gz PGERRUWYIJIOCX-NSHDSACASA-N 1 0 281.421 3.022 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2c3ccccc3CC[C@H]2O)c1 ZINC000927141613 638846977 /nfs/dbraw/zinc/84/69/77/638846977.db2.gz XWFNCQFBYSDKPP-BKTGTZMESA-N 1 0 297.398 3.400 20 10 CGCDRO Oc1ccccc1C[N@H+](CCOC1CC1)Cc1ccco1 ZINC000929973158 638965611 /nfs/dbraw/zinc/96/56/11/638965611.db2.gz XEBMEOYATFAJPN-UHFFFAOYSA-N 1 0 287.359 3.166 20 10 CGCDRO C[C@@H]([NH2+]CCCc1cccnc1)c1ccccc1O ZINC000931555268 639170035 /nfs/dbraw/zinc/17/00/35/639170035.db2.gz WKROQKUOEFZZHD-CYBMUJFWSA-N 1 0 256.349 3.071 20 10 CGCDRO Cc1ccncc1C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000159136254 640031876 /nfs/dbraw/zinc/03/18/76/640031876.db2.gz OAAMPIXMZGUGSE-CQSZACIVSA-N 1 0 269.392 3.307 20 10 CGCDRO C[C@@H]([NH2+]CCCSc1nccs1)c1ccccn1 ZINC000159176612 640033154 /nfs/dbraw/zinc/03/31/54/640033154.db2.gz LYYMOSSOGUSBCM-LLVKDONJSA-N 1 0 279.434 3.371 20 10 CGCDRO COc1cc(O)c(C[N@H+](C)[C@H]2CCC[C@H](C)C2)cc1OC ZINC000159780877 640067572 /nfs/dbraw/zinc/06/75/72/640067572.db2.gz GUQNCZFLGHLIDB-JSGCOSHPSA-N 1 0 293.407 3.420 20 10 CGCDRO Cc1ccc(O)c(C[NH+]2CC(C)(C)OC(C)(C)C2)c1 ZINC000189658821 640204027 /nfs/dbraw/zinc/20/40/27/640204027.db2.gz YBAOXIBUJBYQPH-UHFFFAOYSA-N 1 0 263.381 3.090 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1nccs1 ZINC000078004294 640277528 /nfs/dbraw/zinc/27/75/28/640277528.db2.gz FZUVVRBQPPNHAN-AWEZNQCLSA-N 1 0 275.421 3.450 20 10 CGCDRO Cc1ccc(C[C@@H](CO)[NH2+][C@H](C)c2cc(C)ccc2O)cc1 ZINC000191587330 640322271 /nfs/dbraw/zinc/32/22/71/640322271.db2.gz HBRMOKRYIFIHLN-WBVHZDCISA-N 1 0 299.414 3.263 20 10 CGCDRO Clc1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)o1 ZINC000078819450 640347230 /nfs/dbraw/zinc/34/72/30/640347230.db2.gz ABIBWYDNGGEPPH-UHFFFAOYSA-N 1 0 263.724 3.158 20 10 CGCDRO C[C@H](c1ccccc1)[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000194005008 640505794 /nfs/dbraw/zinc/50/57/94/640505794.db2.gz LXJTXVAILCXWQJ-GFCCVEGCSA-N 1 0 285.343 3.314 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H]2C[C@H](C)O)cc1 ZINC000245713970 640633252 /nfs/dbraw/zinc/63/32/52/640633252.db2.gz GMSGVDVSQAPTAW-YJBOKZPZSA-N 1 0 290.451 3.268 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCO[C@@](C)(c3ccccc3)C2)c1 ZINC000093341943 640769635 /nfs/dbraw/zinc/76/96/35/640769635.db2.gz OHCVSDBLHRVRHL-LJQANCHMSA-N 1 0 297.398 3.448 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CCOC[C@@H]2CC(C)C)c1O ZINC000093340144 640769785 /nfs/dbraw/zinc/76/97/85/640769785.db2.gz SYNBNGCAFUOTDB-HNNXBMFYSA-N 1 0 293.407 3.038 20 10 CGCDRO CCOC[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000093419147 640771083 /nfs/dbraw/zinc/77/10/83/640771083.db2.gz BITTVCJVRGXHPA-GFCCVEGCSA-N 1 0 283.799 3.294 20 10 CGCDRO CCCN1CCC([NH2+][C@@H](C)c2cc(F)ccc2O)CC1 ZINC000094616973 640799051 /nfs/dbraw/zinc/79/90/51/640799051.db2.gz HRRGEAIUHJSIRH-LBPRGKRZSA-N 1 0 280.387 3.056 20 10 CGCDRO C[C@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)C(C)(C)C ZINC000096610401 640834847 /nfs/dbraw/zinc/83/48/47/640834847.db2.gz DDAZBNRIVQHORP-OAHLLOKOSA-N 1 0 290.451 3.295 20 10 CGCDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)[C@H]1C ZINC000252109138 640836970 /nfs/dbraw/zinc/83/69/70/640836970.db2.gz HMQSCTIIBLDNNZ-NTZNESFSSA-N 1 0 277.364 3.035 20 10 CGCDRO Oc1cccc(Cl)c1CN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252505611 640852301 /nfs/dbraw/zinc/85/23/01/640852301.db2.gz VBOSPKJRTDAAOM-IUODEOHRSA-N 1 0 294.826 3.010 20 10 CGCDRO CC[C@H](CCO)[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000305117007 640882401 /nfs/dbraw/zinc/88/24/01/640882401.db2.gz IHXXJKCPJBCWBA-NVXWUHKLSA-N 1 0 290.451 3.489 20 10 CGCDRO CCCC[C@H](O)C[N@H+](CC)Cc1ccc(N(C)C)cc1 ZINC001252098898 805994850 /nfs/dbraw/zinc/99/48/50/805994850.db2.gz XGMBWNVRSZTNJO-KRWDZBQOSA-N 1 0 278.440 3.126 20 10 CGCDRO CCCCC[C@H](O)C[NH2+]Cc1c(C)cc(C)cc1O ZINC001253557879 806255248 /nfs/dbraw/zinc/25/52/48/806255248.db2.gz PEKUDFQRLLCIDX-AWEZNQCLSA-N 1 0 265.397 3.040 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CCCc1cnn(C)c1 ZINC001254722040 806487154 /nfs/dbraw/zinc/48/71/54/806487154.db2.gz XTMKRURYSOFNEL-HIFRSBDPSA-N 1 0 299.418 3.205 20 10 CGCDRO C[C@H]([NH2+]C1C[C@H]2CC(=O)C[C@@H]2C1)c1ccc(N(C)C)cc1 ZINC001254929567 806510300 /nfs/dbraw/zinc/51/03/00/806510300.db2.gz USYBNEWRSOEFAK-QEJZJMRPSA-N 1 0 286.419 3.161 20 10 CGCDRO COc1ccc([C@H](C)[NH2+]Cc2ccccc2O)cc1F ZINC000037074607 798858291 /nfs/dbraw/zinc/85/82/91/798858291.db2.gz ZUFSZFVEUMUEAG-NSHDSACASA-N 1 0 275.323 3.391 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1Cc2ccccc21)c1ccccc1O ZINC000037565364 798869099 /nfs/dbraw/zinc/86/90/99/798869099.db2.gz MNOFTCVIKAADTJ-GXTWGEPZSA-N 1 0 253.345 3.383 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2Cc3ccccc32)c1 ZINC000037565478 798869358 /nfs/dbraw/zinc/86/93/58/798869358.db2.gz AKARVYJBKVQWGI-JSGCOSHPSA-N 1 0 283.371 3.391 20 10 CGCDRO CCOc1cccc(C[NH2+]Cc2cc(OC)ccc2O)c1 ZINC000037679483 798873213 /nfs/dbraw/zinc/87/32/13/798873213.db2.gz LMNXTMPJLJAQRH-UHFFFAOYSA-N 1 0 287.359 3.089 20 10 CGCDRO CCOc1cccc(C[NH2+]CCCC(C)C)c1O ZINC000038093334 798884390 /nfs/dbraw/zinc/88/43/90/798884390.db2.gz ZYBDPJWKWZIKQN-UHFFFAOYSA-N 1 0 251.370 3.317 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)CCC(F)(F)F)cc1F ZINC000119749612 798987332 /nfs/dbraw/zinc/98/73/32/798987332.db2.gz WUUQWIDNKIDXFC-UHFFFAOYSA-N 1 0 278.293 3.276 20 10 CGCDRO c1cc(N2CCCC2)ccc1C[NH2+]C[C@H]1CCCS1 ZINC000122022718 798988853 /nfs/dbraw/zinc/98/88/53/798988853.db2.gz VGPHGMXCLQUFDN-MRXNPFEDSA-N 1 0 276.449 3.272 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCN(C2CC2)C1)c1ccc2ccccc2c1O ZINC000314594787 799234280 /nfs/dbraw/zinc/23/42/80/799234280.db2.gz CBUHYUXOJBHHIQ-DZGCQCFKSA-N 1 0 296.414 3.433 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](C(F)(F)F)C2)c1 ZINC000385550184 799427725 /nfs/dbraw/zinc/42/77/25/799427725.db2.gz PRQWYQYICDZBDR-LLVKDONJSA-N 1 0 259.271 3.085 20 10 CGCDRO CC[C@H]([NH2+][C@@H](CO)C1CCCCC1)c1ccccc1O ZINC000386255033 799434107 /nfs/dbraw/zinc/43/41/07/799434107.db2.gz LSMBIVICNQBUPR-HOTGVXAUSA-N 1 0 277.408 3.374 20 10 CGCDRO CCC1([NH2+]Cc2cc(Cl)cc(OC)c2O)CCOCC1 ZINC000389435139 799462396 /nfs/dbraw/zinc/46/23/96/799462396.db2.gz WMWLDZQASWRCCK-UHFFFAOYSA-N 1 0 299.798 3.103 20 10 CGCDRO Cc1cc(C[NH2+]Cc2ccc(N3CCCC3)cc2)ccn1 ZINC000391168877 799477222 /nfs/dbraw/zinc/47/72/22/799477222.db2.gz FGCBSGDQVZPMEW-UHFFFAOYSA-N 1 0 281.403 3.280 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CC(C)(C)C(C)(C)O)c(O)c1 ZINC000393605003 799488870 /nfs/dbraw/zinc/48/88/70/799488870.db2.gz YEFDTOIQRPXKQU-LBPRGKRZSA-N 1 0 265.397 3.148 20 10 CGCDRO C[C@H]1COCCC[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC000398921986 799533119 /nfs/dbraw/zinc/53/31/19/799533119.db2.gz LWEKDDFFWMKZNY-ZDUSSCGKSA-N 1 0 271.360 3.156 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000403331967 799565670 /nfs/dbraw/zinc/56/56/70/799565670.db2.gz CVLBSRZEUISKQD-DGAVXFQQSA-N 1 0 275.392 3.488 20 10 CGCDRO Cc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)c1O ZINC000403540185 799567376 /nfs/dbraw/zinc/56/73/76/799567376.db2.gz DICULHAFROSJNO-AGUYFDCRSA-N 1 0 263.406 3.217 20 10 CGCDRO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1Cc1cc(C)ccc1O ZINC000403805118 799571855 /nfs/dbraw/zinc/57/18/55/799571855.db2.gz IIKNRKXJQFEAGI-CABCVRRESA-N 1 0 263.381 3.090 20 10 CGCDRO C[C@]1([NH2+]Cc2ccccc2O)CCN(Cc2ccccc2)C1 ZINC000406007103 799588684 /nfs/dbraw/zinc/58/86/84/799588684.db2.gz QFCALCNZCBRMBX-IBGZPJMESA-N 1 0 296.414 3.146 20 10 CGCDRO CC[C@@H]([NH2+]C[C@]1(C)CC1(F)F)c1ccccc1O ZINC000689213991 799761710 /nfs/dbraw/zinc/76/17/10/799761710.db2.gz LUQZEQPHTBXDHO-YPMHNXCESA-N 1 0 255.308 3.478 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@]2(C)CC2(F)F)c1O ZINC000689203846 799761738 /nfs/dbraw/zinc/76/17/38/799761738.db2.gz PAMRQMUFOFWEHA-ZDUSSCGKSA-N 1 0 255.308 3.090 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@]2(C)CC2(F)F)c(O)c1 ZINC000689213622 799761831 /nfs/dbraw/zinc/76/18/31/799761831.db2.gz HOYBVLCVYSSYSK-GXFFZTMASA-N 1 0 255.308 3.397 20 10 CGCDRO C[C@H]([NH2+]C[C@@]1(C)CC1(F)F)c1ccc(N(C)C)cc1 ZINC000689246701 799763705 /nfs/dbraw/zinc/76/37/05/799763705.db2.gz GSPFZOZQDOEOGV-SMDDNHRTSA-N 1 0 268.351 3.449 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CCC[C@H](CCF)C2)c1O ZINC000689883591 799769997 /nfs/dbraw/zinc/76/99/97/799769997.db2.gz GMBCREXGRYFOHK-CYBMUJFWSA-N 1 0 281.371 3.363 20 10 CGCDRO C[N@H+](CCOC(C)(C)C)Cc1c(O)cccc1Cl ZINC000690115733 799772693 /nfs/dbraw/zinc/77/26/93/799772693.db2.gz QXSTYRCJOYTMCJ-UHFFFAOYSA-N 1 0 271.788 3.293 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@@H](OC)[C@@H](C)CC)c1O ZINC000691442795 799783825 /nfs/dbraw/zinc/78/38/25/799783825.db2.gz DFLLSQDIOQRNRI-SWLSCSKDSA-N 1 0 265.397 3.105 20 10 CGCDRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(Br)cc2O)C1 ZINC000691425239 799783999 /nfs/dbraw/zinc/78/39/99/799783999.db2.gz DFYSRRPJEMTOFW-SKDRFNHKSA-N 1 0 284.197 3.433 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@@H]2CCC(C)(C)O2)c1O ZINC000691496156 799785521 /nfs/dbraw/zinc/78/55/21/799785521.db2.gz UCBJODOJHXFNBQ-AWEZNQCLSA-N 1 0 263.381 3.002 20 10 CGCDRO CO[C@@H](C[NH2+][C@@H](C)c1ccc(N(C)C)cc1)C1CCC1 ZINC000692868279 799802403 /nfs/dbraw/zinc/80/24/03/799802403.db2.gz NZYYQCYKFWCBLU-GUYCJALGSA-N 1 0 276.424 3.218 20 10 CGCDRO CO[C@@H](C[NH2+]Cc1ccc(N(C)C)cc1)C1CCCC1 ZINC000692974468 799806129 /nfs/dbraw/zinc/80/61/29/799806129.db2.gz FUKZOZREMYUDOQ-KRWDZBQOSA-N 1 0 276.424 3.047 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C[C@@]23C[C@@H]2CCCC3)c1 ZINC000693594255 799812695 /nfs/dbraw/zinc/81/26/95/799812695.db2.gz WNCPPUOKAJQMKU-XJKSGUPXSA-N 1 0 261.365 3.071 20 10 CGCDRO CC(C)(C[NH2+]Cc1ccccc1O)CC(F)(F)F ZINC000694030178 799818772 /nfs/dbraw/zinc/81/87/72/799818772.db2.gz FDOQURIHZPWKCV-UHFFFAOYSA-N 1 0 261.287 3.460 20 10 CGCDRO COc1ccc(C[NH2+]CCCOC(C)(C)C)cc1C ZINC000695279070 799828391 /nfs/dbraw/zinc/82/83/91/799828391.db2.gz GRUUIZISDOUJOY-UHFFFAOYSA-N 1 0 265.397 3.298 20 10 CGCDRO COc1ccc(O)c(C[NH2+]CC(C)(C)C(C)(F)F)c1 ZINC000696612125 799840995 /nfs/dbraw/zinc/84/09/95/799840995.db2.gz BCUZJIKIFFRWKD-UHFFFAOYSA-N 1 0 273.323 3.172 20 10 CGCDRO [NH3+]Cc1ccc2c(c1)CCCN2CC=C(Cl)Cl ZINC000700924293 799883151 /nfs/dbraw/zinc/88/31/51/799883151.db2.gz NYFLURAZODRSLB-UHFFFAOYSA-N 1 0 271.191 3.217 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CC[C@@H](C)F)cc1 ZINC000702632278 799910706 /nfs/dbraw/zinc/91/07/06/799910706.db2.gz ZYXXOVWYLZRKOY-CYBMUJFWSA-N 1 0 252.377 3.371 20 10 CGCDRO CCC[C@H](C[NH2+][C@@H](C)c1cc(OC)ccc1O)OCC ZINC000705345217 799948357 /nfs/dbraw/zinc/94/83/57/799948357.db2.gz WRKYLVJVNNQFNG-GXTWGEPZSA-N 1 0 281.396 3.257 20 10 CGCDRO CO[C@H]1C[C@H]([NH2+][C@H](C)c2ccc3ccccc3c2O)C1 ZINC000706526955 799963099 /nfs/dbraw/zinc/96/30/99/799963099.db2.gz JMEPNQSOIPSHJK-MRVWCRGKSA-N 1 0 271.360 3.373 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]CC[C@@H]1CCCS1 ZINC000715666087 800142534 /nfs/dbraw/zinc/14/25/34/800142534.db2.gz IHCLUQBDLGCWGY-JTQLQIEISA-N 1 0 271.813 3.421 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]C[C@@H]2CCN2Cc2ccccc2)c1 ZINC000716230441 800166160 /nfs/dbraw/zinc/16/61/60/800166160.db2.gz QUYXRLAODSODSP-SFHVURJKSA-N 1 0 296.414 3.065 20 10 CGCDRO CC[N@H+](Cc1cc(Cl)cc(OC)c1O)C1CCOCC1 ZINC000716481136 800171869 /nfs/dbraw/zinc/17/18/69/800171869.db2.gz KBAZSIGTKMUAMY-UHFFFAOYSA-N 1 0 299.798 3.055 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1CCC2(CCC2)CO1)c1ccccc1O ZINC000716605917 800176264 /nfs/dbraw/zinc/17/62/64/800176264.db2.gz JVVAHFSVTQNKJY-KGLIPLIRSA-N 1 0 275.392 3.392 20 10 CGCDRO COc1ccc(C[NH2+]Cc2cnc(Cl)s2)cc1C ZINC000718184237 800212620 /nfs/dbraw/zinc/21/26/20/800212620.db2.gz ANBPSSTZDNTJKM-UHFFFAOYSA-N 1 0 282.796 3.403 20 10 CGCDRO COCC(C)(C)CC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000718663875 800218793 /nfs/dbraw/zinc/21/87/93/800218793.db2.gz HRMNOSBEKNMDIN-CQSZACIVSA-N 1 0 278.440 3.466 20 10 CGCDRO Oc1ccccc1C[NH2+]Cc1nc2c(s1)CCCC2 ZINC000719634624 800247680 /nfs/dbraw/zinc/24/76/80/800247680.db2.gz ASKAMFXZWRQDNG-UHFFFAOYSA-N 1 0 274.389 3.017 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000722319459 800313328 /nfs/dbraw/zinc/31/33/28/800313328.db2.gz JGHQKGKQWINXQN-ZFWWWQNUSA-N 1 0 281.783 3.093 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000723650696 800334793 /nfs/dbraw/zinc/33/47/93/800334793.db2.gz NEMVEMGLJWSBGN-TYNCELHUSA-N 1 0 295.810 3.340 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCC2CC=CC2)c1 ZINC000724205965 800357460 /nfs/dbraw/zinc/35/74/60/800357460.db2.gz UOMLEVDDKSSIFV-GFCCVEGCSA-N 1 0 261.365 3.408 20 10 CGCDRO CCn1ccc(C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3C)n1 ZINC001118008079 802519070 /nfs/dbraw/zinc/51/90/70/802519070.db2.gz XSYMTEFGGAVTMU-JSGCOSHPSA-N 1 0 285.391 3.255 20 10 CGCDRO Oc1cc(Br)ccc1C[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC001118640659 802591277 /nfs/dbraw/zinc/59/12/77/802591277.db2.gz NEIFPTAZZOETDQ-QWHCGFSZSA-N 1 0 296.208 3.433 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)c1O ZINC001119511857 802674849 /nfs/dbraw/zinc/67/48/49/802674849.db2.gz IJQIQCBKKZUIJA-UPJWGTAASA-N 1 0 297.345 3.233 20 10 CGCDRO C[C@@H](C[NH2+]Cc1ccc(N)cc1)Cc1cccs1 ZINC001120370568 802742855 /nfs/dbraw/zinc/74/28/55/802742855.db2.gz ASOCXTXRRIHAGG-GFCCVEGCSA-N 1 0 260.406 3.299 20 10 CGCDRO Cc1ccc2c(c1)CC[N@@H+](Cc1c([O-])cccc1F)C2 ZINC001137841319 803781434 /nfs/dbraw/zinc/78/14/34/803781434.db2.gz ADFZSLLMRQTFRC-UHFFFAOYSA-N 1 0 271.335 3.398 20 10 CGCDRO Cc1cc(C[N@H+]2C[C@@H](O)C[C@H]2C)c(C)n1-c1ccccc1 ZINC001137853974 803783812 /nfs/dbraw/zinc/78/38/12/803783812.db2.gz CRQJIYMKKQQKTB-ACJLOTCBSA-N 1 0 284.403 3.049 20 10 CGCDRO Cc1cc(C[N@@H+]2CCC[C@@H](CO)C2)c(C)n1-c1ccccc1 ZINC001137854487 803786683 /nfs/dbraw/zinc/78/66/83/803786683.db2.gz YMHIYEFKCFAZPL-QGZVFWFLSA-N 1 0 298.430 3.298 20 10 CGCDRO Cc1cc(C[N@@H+]2CCOC3(CC3)C2)c(C)n1-c1ccccc1 ZINC001137859304 803788297 /nfs/dbraw/zinc/78/82/97/803788297.db2.gz SFSWTIROXQLLHF-UHFFFAOYSA-N 1 0 296.414 3.459 20 10 CGCDRO c1cc(N2CCCCC2)ccc1C[N@@H+]1CCOC2(CC2)C1 ZINC001138222135 803873984 /nfs/dbraw/zinc/87/39/84/803873984.db2.gz IAADJKQIFZFBSI-UHFFFAOYSA-N 1 0 286.419 3.042 20 10 CGCDRO c1cc(N2CCCCC2)ccc1C[N@@H+]1CC[C@H]2OCC[C@H]21 ZINC001138215661 803874980 /nfs/dbraw/zinc/87/49/80/803874980.db2.gz NHLBZQDWZOUFSH-QZTJIDSGSA-N 1 0 286.419 3.040 20 10 CGCDRO Cc1c(C[NH+]2CCC(F)CC2)c2ccccc2n1C ZINC001138252566 803879458 /nfs/dbraw/zinc/87/94/58/803879458.db2.gz LTZVJMBCJPAIED-UHFFFAOYSA-N 1 0 260.356 3.421 20 10 CGCDRO Cc1c(C[N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)c2ccccc2n1C ZINC001138256967 803881073 /nfs/dbraw/zinc/88/10/73/803881073.db2.gz QWUGBVWENXHVEA-HEHGZKQESA-N 1 0 272.367 3.419 20 10 CGCDRO Cc1c(C[N@@H+]2CCOCC23CCC3)c2ccccc2n1C ZINC001138257931 803884393 /nfs/dbraw/zinc/88/43/93/803884393.db2.gz DRTNVMCNAWNLDQ-UHFFFAOYSA-N 1 0 284.403 3.242 20 10 CGCDRO CN1CCCc2cc(C[N@H+](C)CCC3CC3)ccc21 ZINC001138356354 803899863 /nfs/dbraw/zinc/89/98/63/803899863.db2.gz MBHOMUXOWAATFH-UHFFFAOYSA-N 1 0 258.409 3.301 20 10 CGCDRO CN1CCCc2cc(C[N@@H+]3C[C@H]4CC[C@@H]3C4)ccc21 ZINC001138356549 803900732 /nfs/dbraw/zinc/90/07/32/803900732.db2.gz QWLOAWAVHPMHFX-GOEBONIOSA-N 1 0 256.393 3.053 20 10 CGCDRO CN1CCCc2cc(C[N@H+](C)CCc3ccncc3)ccc21 ZINC001138357523 803902224 /nfs/dbraw/zinc/90/22/24/803902224.db2.gz HYCWXARHCHQLPN-UHFFFAOYSA-N 1 0 295.430 3.139 20 10 CGCDRO COCC[C@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC001139672450 804247831 /nfs/dbraw/zinc/24/78/31/804247831.db2.gz XLPYYTVCDGXOJN-QGZVFWFLSA-N 1 0 290.451 3.452 20 10 CGCDRO Cc1cc(C[N@@H+]2CCC[C@@](C)(O)[C@@H](C)C2)ccc1N(C)C ZINC001139669884 804248470 /nfs/dbraw/zinc/24/84/70/804248470.db2.gz QYOHNTGFQFMEOE-MAUKXSAKSA-N 1 0 290.451 3.044 20 10 CGCDRO COCC[C@@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC001139672449 804248504 /nfs/dbraw/zinc/24/85/04/804248504.db2.gz XLPYYTVCDGXOJN-KRWDZBQOSA-N 1 0 290.451 3.452 20 10 CGCDRO Cc1cnc2c(c1)C[N@H+](Cc1ccc(N(C)C)c(C)c1)CC2 ZINC001139673533 804248626 /nfs/dbraw/zinc/24/86/26/804248626.db2.gz JJFWNAAACYBIPK-UHFFFAOYSA-N 1 0 295.430 3.323 20 10 CGCDRO COCc1ccc(C[N@H+](C)Cc2ccccc2O)s1 ZINC001139830891 804293515 /nfs/dbraw/zinc/29/35/15/804293515.db2.gz FEWAHZHLAJSECH-UHFFFAOYSA-N 1 0 277.389 3.232 20 10 CGCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@@H](c3cccnc3)C2)c1O ZINC001140179330 804396601 /nfs/dbraw/zinc/39/66/01/804396601.db2.gz HTVUKLGIOYKCIX-MRXNPFEDSA-N 1 0 282.387 3.394 20 10 CGCDRO Cc1cnc2c(c1)C[N@@H+](Cc1c(C)ccc(C)c1O)CC2 ZINC001140185046 804397989 /nfs/dbraw/zinc/39/79/89/804397989.db2.gz PCNXFZRCQSIPFC-UHFFFAOYSA-N 1 0 282.387 3.271 20 10 CGCDRO Oc1cc(Cl)ccc1C[N@@H+]1CC2CCC1CC2 ZINC001140466194 804443846 /nfs/dbraw/zinc/44/38/46/804443846.db2.gz ASYNCAAWPIEGIF-UHFFFAOYSA-N 1 0 251.757 3.420 20 10 CGCDRO CC1(C)C[N@H+](Cc2ccc(Cl)cc2O)CCCO1 ZINC001140466236 804444350 /nfs/dbraw/zinc/44/43/50/804444350.db2.gz CDWMAXUVAYJIMT-UHFFFAOYSA-N 1 0 269.772 3.047 20 10 CGCDRO Cc1c(O)ccc(C[N@H+]2CCC[C@@H](C)[C@H](C)C2)c1O ZINC001140742163 804503440 /nfs/dbraw/zinc/50/34/40/804503440.db2.gz JFGADYBWMLJGRZ-VXGBXAGGSA-N 1 0 263.381 3.274 20 10 CGCDRO CCN(CC)c1ccc(C[NH+]2CCC(F)CC2)c(O)c1 ZINC001140850296 804533855 /nfs/dbraw/zinc/53/38/55/804533855.db2.gz IMCVDMRYMLIJQQ-UHFFFAOYSA-N 1 0 280.387 3.172 20 10 CGCDRO CN(C)c1ccc(CN2CCOCC23CCC3)c(Cl)c1 ZINC001140925600 804550855 /nfs/dbraw/zinc/55/08/55/804550855.db2.gz SJFHYNVLIHAEQN-UHFFFAOYSA-N 1 0 294.826 3.161 20 10 CGCDRO Cc1ccc(C[N@@H+]2CC[C@@H](C(=O)c3ccccc3)C2)c(O)c1 ZINC001140954086 804558485 /nfs/dbraw/zinc/55/84/85/804558485.db2.gz LDXAYGBFECQMOD-QGZVFWFLSA-N 1 0 295.382 3.405 20 10 CGCDRO Cc1ccc(C[N@H+](C)CCC(=O)c2cccs2)c(O)c1 ZINC001140958025 804558995 /nfs/dbraw/zinc/55/89/95/804558995.db2.gz QAMHGHVEWLVEAP-UHFFFAOYSA-N 1 0 289.400 3.467 20 10 CGCDRO CC(C)C[N@H+](C)Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141074711 804584870 /nfs/dbraw/zinc/58/48/70/804584870.db2.gz RSBIEWQPRRTNEY-UHFFFAOYSA-N 1 0 272.436 3.473 20 10 CGCDRO CC1(C)[C@@H]2C[N@@H+](Cc3cc4c5c(c3)CCCN5CCC4)C[C@@H]21 ZINC001141076266 804585690 /nfs/dbraw/zinc/58/56/90/804585690.db2.gz PKKNCZAVRJFTQA-HDICACEKSA-N 1 0 296.458 3.473 20 10 CGCDRO CC[C@@H]1CCC[N@H+](Cc2ccc3c(c2)OCCN3C)C1 ZINC001141143950 804596535 /nfs/dbraw/zinc/59/65/35/804596535.db2.gz PLTKQDWJMUHELN-CQSZACIVSA-N 1 0 274.408 3.137 20 10 CGCDRO Oc1ccc(O)c(C[N@@H+]2CC[C@H](c3ccccc3)C2)c1 ZINC001141156655 804599405 /nfs/dbraw/zinc/59/94/05/804599405.db2.gz PWDGWIDVCTTWEG-AWEZNQCLSA-N 1 0 269.344 3.087 20 10 CGCDRO COc1ccccc1[C@@H]1CC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141156646 804599936 /nfs/dbraw/zinc/59/99/36/804599936.db2.gz PPYOZVLWRXWSAH-CYBMUJFWSA-N 1 0 299.370 3.096 20 10 CGCDRO Oc1ccc(O)c(C[N@@H+]2CCCC3(CC(F)C3)CC2)c1 ZINC001141161171 804601682 /nfs/dbraw/zinc/60/16/82/804601682.db2.gz NVHXVFGBKMNAMW-UHFFFAOYSA-N 1 0 279.355 3.202 20 10 CGCDRO C[N@H+](Cc1cc(Cl)cc(Br)c1[O-])C1CC1 ZINC001141367633 804634693 /nfs/dbraw/zinc/63/46/93/804634693.db2.gz ISWBZYNWSDUEDE-UHFFFAOYSA-N 1 0 290.588 3.402 20 10 CGCDRO [O-]c1cc(F)c(F)cc1C[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC001142524783 804732473 /nfs/dbraw/zinc/73/24/73/804732473.db2.gz KOMGGMXZNQUYEL-HZMBPMFUSA-N 1 0 267.319 3.435 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2cccc(C(C)(C)C)c2O)C[C@@H]1F ZINC001143103397 804801316 /nfs/dbraw/zinc/80/13/16/804801316.db2.gz BWPJGAQOLHPHOA-RISCZKNCSA-N 1 0 265.372 3.480 20 10 CGCDRO C[C@H]1C[N@H+](Cc2cccc(C(C)(C)C)c2O)CC[C@@]1(C)O ZINC001143104520 804801920 /nfs/dbraw/zinc/80/19/20/804801920.db2.gz USLWGZIFHAAIFM-SCLBCKFNSA-N 1 0 291.435 3.283 20 10 CGCDRO CC(C)(C)c1cccc(CN2CCc3ncncc3C2)c1O ZINC001143110334 804803557 /nfs/dbraw/zinc/80/35/57/804803557.db2.gz DGZMFSLJACFMJT-UHFFFAOYSA-N 1 0 297.402 3.038 20 10 CGCDRO CC[N@H+](Cc1ccc(C)cc1)Cc1c(O)cc(O)cc1O ZINC001144516208 804997827 /nfs/dbraw/zinc/99/78/27/804997827.db2.gz TVOLAWVZIKQGBF-UHFFFAOYSA-N 1 0 287.359 3.134 20 10 CGCDRO COCC[N@H+](C)Cc1cc(Cl)c(C(C)(C)C)cc1O ZINC001248880277 805030300 /nfs/dbraw/zinc/03/03/00/805030300.db2.gz HZUBATLXYCHQAY-UHFFFAOYSA-N 1 0 285.815 3.421 20 10 CGCDRO Cc1cc(C[N@H+]2CCC[C@H]2C)c(O)cc1Br ZINC001250116932 805425860 /nfs/dbraw/zinc/42/58/60/805425860.db2.gz ISRJHDOQJSADKJ-SNVBAGLBSA-N 1 0 284.197 3.447 20 10 CGCDRO CCCc1cc(N(CC)Cc2ccccc2O)nc(C)n1 ZINC001154888457 805504817 /nfs/dbraw/zinc/50/48/17/805504817.db2.gz DDESBLATVHTPRJ-UHFFFAOYSA-N 1 0 285.391 3.470 20 10 CGCDRO CCCCOC(=O)CC[C@H](C)[NH2+]Cc1cccc(C)c1O ZINC001257380800 807133498 /nfs/dbraw/zinc/13/34/98/807133498.db2.gz DXXZIGMGSRJKGB-AWEZNQCLSA-N 1 0 293.407 3.302 20 10 CGCDRO COc1ccc(N2CCC[N@H+](CCC3CCC3)CC2)cc1 ZINC001167107858 807152565 /nfs/dbraw/zinc/15/25/65/807152565.db2.gz INJOACQAVGANSJ-UHFFFAOYSA-N 1 0 288.435 3.398 20 10 CGCDRO CC[C@@H](C)[N@@H+]1CCc2c(c3cc(OC)ccc3n2C)C1 ZINC001257442149 807158303 /nfs/dbraw/zinc/15/83/03/807158303.db2.gz CYZQERBFARIGFA-GFCCVEGCSA-N 1 0 272.392 3.344 20 10 CGCDRO COc1ccc(N2C(C)(C)CC([NH3+])CC2(C)C)c(C)c1 ZINC001167625048 807217684 /nfs/dbraw/zinc/21/76/84/807217684.db2.gz QQHUTPLUQFTZSP-UHFFFAOYSA-N 1 0 276.424 3.488 20 10 CGCDRO COc1ccc2c(c1)C[C@H]([NH2+]Cc1c(C)cc(C)cc1O)C2 ZINC001168244370 807363880 /nfs/dbraw/zinc/36/38/80/807363880.db2.gz PCZYIPXTVVZAQF-MRXNPFEDSA-N 1 0 297.398 3.275 20 10 CGCDRO Oc1ccc(CC[NH2+]C2CCCCCCC2)cc1O ZINC001258233926 807380073 /nfs/dbraw/zinc/38/00/73/807380073.db2.gz IBPPPKYKCWJACK-UHFFFAOYSA-N 1 0 263.381 3.343 20 10 CGCDRO CC[C@H](C[C@@H](C)CC)[NH2+]CCc1cc(O)c(O)cc1O ZINC001258780594 807608426 /nfs/dbraw/zinc/60/84/26/807608426.db2.gz PLSZMJCAOHXNNM-WCQYABFASA-N 1 0 281.396 3.150 20 10 CGCDRO CCN1CCC([N@H+](CC)Cc2ccc(N(C)C)cc2)CC1 ZINC001169262134 807617894 /nfs/dbraw/zinc/61/78/94/807617894.db2.gz SUDAOXXKBGSBJK-UHFFFAOYSA-N 1 0 289.467 3.059 20 10 CGCDRO CCN(C)c1ccc(C[NH2+]C2(C3CC3)CCOCC2)cc1 ZINC001261238192 807718185 /nfs/dbraw/zinc/71/81/85/807718185.db2.gz UKBGGWKCNHXTRK-UHFFFAOYSA-N 1 0 288.435 3.192 20 10 CGCDRO Nc1ccc(C[NH2+][C@@H]2CCc3c2cccc3F)cc1 ZINC001262487731 807867658 /nfs/dbraw/zinc/86/76/58/807867658.db2.gz CLRDGGIIFMGIJE-MRXNPFEDSA-N 1 0 256.324 3.185 20 10 CGCDRO COc1ccccc1C1([NH2+]Cc2ccc(N)cc2)CC1 ZINC001262488215 807867784 /nfs/dbraw/zinc/86/77/84/807867784.db2.gz UUJQPWPJPMOTPG-UHFFFAOYSA-N 1 0 268.360 3.056 20 10 CGCDRO COc1ccc(C[C@H](C)[N@H+](C)Cc2ccc(N)cc2)cc1 ZINC001262487544 807867944 /nfs/dbraw/zinc/86/79/44/807867944.db2.gz WZYSHLILBAGAPM-AWEZNQCLSA-N 1 0 284.403 3.340 20 10 CGCDRO C[C@@H]1CC[C@H]([NH2+]CCc2ccc(O)c(O)c2)C[C@@H]1C ZINC001172359816 808253898 /nfs/dbraw/zinc/25/38/98/808253898.db2.gz OLRAJUDMLFHFED-DYEKYZERSA-N 1 0 263.381 3.055 20 10 CGCDRO CCc1ccc(C[C@H](C)[NH2+]Cc2ccc(O)cc2O)cc1 ZINC001173245153 808553952 /nfs/dbraw/zinc/55/39/52/808553952.db2.gz RJUPNJGWVMQAND-ZDUSSCGKSA-N 1 0 285.387 3.381 20 10 CGCDRO COc1ccc(N2CC3(CC[N@@H+]3C3CCCC3)C2)cc1F ZINC001277009075 809052599 /nfs/dbraw/zinc/05/25/99/809052599.db2.gz FBFZCKGDJXSLTF-UHFFFAOYSA-N 1 0 290.382 3.041 20 10 CGCDRO COc1ccc(N2CCC3(CCC[N@H+](C)C3)CC2)cc1F ZINC001277008850 809053114 /nfs/dbraw/zinc/05/31/14/809053114.db2.gz AZYMRCWHTJBEJW-UHFFFAOYSA-N 1 0 292.398 3.147 20 10 CGCDRO Cc1c[nH+]ccc1Nc1cc(Br)c(C)cc1O ZINC001174539493 809072612 /nfs/dbraw/zinc/07/26/12/809072612.db2.gz IHBRUUMVKXWKFK-UHFFFAOYSA-N 1 0 293.164 3.332 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCCC[C@@]23CCOC3)cc1 ZINC001176978305 809772100 /nfs/dbraw/zinc/77/21/00/809772100.db2.gz QMZFUTLOBGGRKQ-SFHVURJKSA-N 1 0 288.435 3.288 20 10 CGCDRO CC1CCN(c2ccc(C[NH2+]C3CCOCC3)cc2)CC1 ZINC001177732724 809816824 /nfs/dbraw/zinc/81/68/24/809816824.db2.gz ANCJXPGSFAKQSG-UHFFFAOYSA-N 1 0 288.435 3.192 20 10 CGCDRO CCCN(CCC)c1ccc(C[NH2+]CC(C)(C)CO)cc1 ZINC001178228626 809854112 /nfs/dbraw/zinc/85/41/12/809854112.db2.gz PMJDJMPTMRSLRK-UHFFFAOYSA-N 1 0 292.467 3.421 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(-c2cc[nH]n2)o1)c1ccccc1O ZINC001179489980 809925311 /nfs/dbraw/zinc/92/53/11/809925311.db2.gz ZBEVVJOCNQIOGW-NSHDSACASA-N 1 0 283.331 3.226 20 10 CGCDRO C[C@@H]1CC[C@H]([NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC001179756214 809942565 /nfs/dbraw/zinc/94/25/65/809942565.db2.gz YVSBMADBFRDKIF-UWWQBHOKSA-N 1 0 289.467 3.134 20 10 CGCDRO COc1cc(C)c(C[N@H+](C)[C@H](C)C2(C)CC2)c(O)c1 ZINC001179973530 809965148 /nfs/dbraw/zinc/96/51/48/809965148.db2.gz BXYHRXWNWBIXRU-GFCCVEGCSA-N 1 0 263.381 3.330 20 10 CGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CC[C@@H](O)C(C)(C)C2)c1 ZINC001180963001 810029531 /nfs/dbraw/zinc/02/95/31/810029531.db2.gz UDXCIMBSKSSDCW-MRXNPFEDSA-N 1 0 277.408 3.108 20 10 CGCDRO COc1cc(C)cc(C[NH2+]C[C@H]2CCCC23CC3)c1O ZINC001183196671 810139809 /nfs/dbraw/zinc/13/98/09/810139809.db2.gz FSVFJVPDKHPGSF-CQSZACIVSA-N 1 0 275.392 3.379 20 10 CGCDRO C=C/C=C\CC[N@@H+](C)CCN(C)c1ccc(OC)cc1 ZINC001195791079 811291517 /nfs/dbraw/zinc/29/15/17/811291517.db2.gz XCFFZPMVYTXLIW-SREVYHEPSA-N 1 0 274.408 3.196 20 10 CGCDRO CCOc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001203315122 812308489 /nfs/dbraw/zinc/30/84/89/812308489.db2.gz NZEJDGRFIJVKSN-UHFFFAOYSA-N 1 0 296.414 3.408 20 10 CGCDRO Cc1ccnc(C[NH2+]C/C=C/c2ccc(N(C)C)cc2)c1 ZINC001203521123 812382547 /nfs/dbraw/zinc/38/25/47/812382547.db2.gz DPRRTQFZKHDASK-SNAWJCMRSA-N 1 0 281.403 3.259 20 10 CGCDRO COc1cccc(C[N@@H+]2CCC(F)(F)C(C)(C)C2)c1O ZINC001203590039 812402624 /nfs/dbraw/zinc/40/26/24/812402624.db2.gz RMWVHQLWSXMIKX-UHFFFAOYSA-N 1 0 285.334 3.268 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](F)CC2)c1O ZINC001203602402 812405107 /nfs/dbraw/zinc/40/51/07/812405107.db2.gz UZOLZYCRQZCYEI-CYBMUJFWSA-N 1 0 267.344 3.115 20 10 CGCDRO CCOc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)c1O ZINC001203603429 812405416 /nfs/dbraw/zinc/40/54/16/812405416.db2.gz PARIHZTXYMPAEA-BETUJISGSA-N 1 0 297.345 3.268 20 10 CGCDRO COc1ccc(C[N@@H+]2CCC[C@@H](C)[C@H](C)C2)c(O)c1 ZINC001203621311 812409446 /nfs/dbraw/zinc/40/94/46/812409446.db2.gz SOWSXKQCYRUNCH-CHWSQXEVSA-N 1 0 263.381 3.269 20 10 CGCDRO CO[C@H]1CCC[C@@H]2C[N@H+](Cc3cc(Cl)ccc3O)C[C@@H]21 ZINC001203658416 812419052 /nfs/dbraw/zinc/41/90/52/812419052.db2.gz LMFRDRLAZBNDAW-WPGHFRTFSA-N 1 0 295.810 3.293 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H]3CCC[C@H]3C2)c1 ZINC001203671148 812426259 /nfs/dbraw/zinc/42/62/59/812426259.db2.gz KTHNORJNZMUNGG-OLZOCXBDSA-N 1 0 261.365 3.023 20 10 CGCDRO Oc1ccc(C[N@H+]2CC=C(c3ccccc3)CC2)cc1O ZINC001203880397 812478200 /nfs/dbraw/zinc/47/82/00/812478200.db2.gz RHRVGXJETCGKNU-UHFFFAOYSA-N 1 0 281.355 3.387 20 10 CGCDRO Oc1ccc(C[N@@H+]2CC[C@@H](c3ccccc3)C2)cc1O ZINC001203874728 812478933 /nfs/dbraw/zinc/47/89/33/812478933.db2.gz CDOYFAUEPHURKZ-OAHLLOKOSA-N 1 0 269.344 3.087 20 10 CGCDRO C[N@H+](Cc1ccc(O)c(O)c1)[C@@H]1CCc2ccccc21 ZINC001203884572 812479726 /nfs/dbraw/zinc/47/97/26/812479726.db2.gz VCXRWVYLHUHKFO-OAHLLOKOSA-N 1 0 269.344 3.217 20 10 CGCDRO Oc1ccc(C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)cc1O ZINC001203882495 812479842 /nfs/dbraw/zinc/47/98/42/812479842.db2.gz JICZOEQJHYKKMD-INIZCTEOSA-N 1 0 283.371 3.162 20 10 CGCDRO Oc1ccc(C[N@@H+]2CC[C@H]3CCCC[C@H]3C2)cc1O ZINC001203880863 812479897 /nfs/dbraw/zinc/47/98/97/812479897.db2.gz BRZVZPDLVPZXIO-KGLIPLIRSA-N 1 0 261.365 3.110 20 10 CGCDRO CCC[NH+]1CCN(Cc2ccc(N(CC)CC)cc2)CC1 ZINC001203942434 812498104 /nfs/dbraw/zinc/49/81/04/812498104.db2.gz QLDMMRSJKDDDKJ-UHFFFAOYSA-N 1 0 289.467 3.060 20 10 CGCDRO C[C@@H]1CCC[C@H]1[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001203969710 812503297 /nfs/dbraw/zinc/50/32/97/812503297.db2.gz ZLZRWBRKDQBVMK-ZTFGCOKTSA-N 1 0 289.467 3.134 20 10 CGCDRO COCC[N@H+](Cc1ccc(N(C)C)cc1C)C1CCCC1 ZINC001204170250 812563267 /nfs/dbraw/zinc/56/32/67/812563267.db2.gz GZLYLCNVUFGLQJ-UHFFFAOYSA-N 1 0 290.451 3.452 20 10 CGCDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2cc(F)c(F)cc2[O-])C1(C)C ZINC001204235796 812581318 /nfs/dbraw/zinc/58/13/18/812581318.db2.gz DGMBNSFKFUXTCW-CABCVRRESA-N 1 0 299.361 3.306 20 10 CGCDRO C[N@H+](Cc1ccc(O)cc1O)C12CC3CC(CC(C3)C1)C2 ZINC001204275479 812594775 /nfs/dbraw/zinc/59/47/75/812594775.db2.gz SBJHJXYRIFFTNE-UHFFFAOYSA-N 1 0 287.403 3.498 20 10 CGCDRO Oc1ccc(C[N@@H+]2CCc3c(Cl)cccc3C2)c(O)c1 ZINC001204278662 812595352 /nfs/dbraw/zinc/59/53/52/812595352.db2.gz HJNCBYGLBYAZFC-UHFFFAOYSA-N 1 0 289.762 3.310 20 10 CGCDRO CC1(C)[C@@H]2C[N@@H+](Cc3ccc(N4CCCC4)cc3)C[C@@H]21 ZINC001204322351 812612303 /nfs/dbraw/zinc/61/23/03/812612303.db2.gz QSQVCPKKQRVDSP-CALCHBBNSA-N 1 0 270.420 3.375 20 10 CGCDRO CCC[C@@H]1CCCC[N@@H+]1Cc1cc(O)c(O)c(OC)c1 ZINC001204344123 812615929 /nfs/dbraw/zinc/61/59/29/812615929.db2.gz DOVYGAVWFIKFPE-CYBMUJFWSA-N 1 0 279.380 3.261 20 10 CGCDRO COc1cc(C[N@@H+]2CCC3(C2)CCCCC3)cc(O)c1O ZINC001204351995 812618244 /nfs/dbraw/zinc/61/82/44/812618244.db2.gz XXIPYJGUDKGZMW-UHFFFAOYSA-N 1 0 291.391 3.263 20 10 CGCDRO Cc1cc(CN2CC[C@@](C)([NH3+])C2)c(C)n1-c1ccccc1 ZINC001204770090 812731393 /nfs/dbraw/zinc/73/13/93/812731393.db2.gz AUPMJCNDPMHLIC-GOSISDBHSA-N 1 0 283.419 3.017 20 10 CGCDRO CC(C)(C)c1ccc(O)c(CN2CCCC[C@@H]2C[NH3+])c1 ZINC001204933106 812783652 /nfs/dbraw/zinc/78/36/52/812783652.db2.gz QPVNCYOOKZLFMG-OAHLLOKOSA-N 1 0 276.424 3.003 20 10 CGCDRO Cc1cc(CN2CCC[C@@](C)([NH3+])C2)c(C)n1-c1ccccc1 ZINC001204940447 812788246 /nfs/dbraw/zinc/78/82/46/812788246.db2.gz XLHWNBSZKAYJJP-LJQANCHMSA-N 1 0 297.446 3.407 20 10 CGCDRO CC(C)(C)c1ccc(O)c(CN2CCCC[C@H]([NH3+])C2)c1 ZINC001205939588 813141222 /nfs/dbraw/zinc/14/12/22/813141222.db2.gz RTOMXZVUVXONCG-HNNXBMFYSA-N 1 0 276.424 3.003 20 10 CGCDRO CC[C@H](C[C@H](C)O)[NH2+]Cc1cc(C(C)C)ccc1O ZINC001207225765 813518925 /nfs/dbraw/zinc/51/89/25/813518925.db2.gz PHHBAQKVQMWHOJ-SWLSCSKDSA-N 1 0 265.397 3.155 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(C[N@@H+](C)[C@H]2CCOC2)cc1 ZINC001209517393 814070611 /nfs/dbraw/zinc/07/06/11/814070611.db2.gz GEFBUJVISQCNOC-SFHVURJKSA-N 1 0 284.403 3.315 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(C[NH+]2CC(C3COC3)C2)cc1 ZINC001209519640 814072648 /nfs/dbraw/zinc/07/26/48/814072648.db2.gz ZILDBMFWGHYPGR-UHFFFAOYSA-N 1 0 296.414 3.172 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(C[N@H+]2CC[C@@H](O)C[C@H]2C)cc1 ZINC001209520117 814073326 /nfs/dbraw/zinc/07/33/26/814073326.db2.gz NJTYDLNYTVCBTQ-VQIMIIECSA-N 1 0 298.430 3.439 20 10 CGCDRO Cc1[nH]c2ncccc2c1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001209592189 814095090 /nfs/dbraw/zinc/09/50/90/814095090.db2.gz CFAOWKOPRJPLFP-UHFFFAOYSA-N 1 0 293.370 3.135 20 10 CGCDRO CN(C)c1ccccc1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001209779466 814138466 /nfs/dbraw/zinc/13/84/66/814138466.db2.gz GYJXGBWVWWTIGZ-UHFFFAOYSA-N 1 0 282.387 3.017 20 10 CGCDRO CC(C)[C@@H](C[NH3+])c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001217730663 815951836 /nfs/dbraw/zinc/95/18/36/815951836.db2.gz WQJPBRWNLKBQGK-OAHLLOKOSA-N 1 0 296.374 3.226 20 10 CGCDRO Oc1c(CN2CCC[C@@]3(CCC[NH2+]3)C2)ccc2ccccc21 ZINC001222355238 816417614 /nfs/dbraw/zinc/41/76/14/816417614.db2.gz QHHLSUAMUDDVCP-IBGZPJMESA-N 1 0 296.414 3.263 20 10 CGCDRO Cn1ccc2c1cccc2-c1cnn(CC[NH+]2CCCC2)c1 ZINC001222482933 816455128 /nfs/dbraw/zinc/45/51/28/816455128.db2.gz IQCDUTAWELNKPG-UHFFFAOYSA-N 1 0 294.402 3.138 20 10 CGCDRO Oc1ccc2ccccc2c1C[N@@H+]1CC[C@@]2(CCCO2)C1 ZINC001231586829 818128781 /nfs/dbraw/zinc/12/87/81/818128781.db2.gz MLUKEBYSHWMAJK-SFHVURJKSA-N 1 0 283.371 3.300 20 10 CGCDRO COC(=O)CC[N@H+](Cc1cccc(C)c1O)C1CCCC1 ZINC001231592328 818131524 /nfs/dbraw/zinc/13/15/24/818131524.db2.gz JWLWOMRNVDISFK-UHFFFAOYSA-N 1 0 291.391 3.008 20 10 CGCDRO COc1cc(C[N@H+]2Cc3ccccc3[C@H](C)C2)c(O)cc1O ZINC001231634181 818144064 /nfs/dbraw/zinc/14/40/64/818144064.db2.gz INTQYOODOTYKCF-GFCCVEGCSA-N 1 0 299.370 3.226 20 10 CGCDRO Cc1cc(C)c(C[N@H+](CCO)Cc2cccs2)c(O)c1 ZINC001231843788 818185626 /nfs/dbraw/zinc/18/56/26/818185626.db2.gz AMFUDRJNVLKJAB-UHFFFAOYSA-N 1 0 291.416 3.065 20 10 CGCDRO Cc1cc(C)c(C[N@@H+]2CC[C@]3(C2)CCCCO3)c(O)c1 ZINC001231841895 818185696 /nfs/dbraw/zinc/18/56/96/818185696.db2.gz FYVRUQUSJFVVPA-KRWDZBQOSA-N 1 0 275.392 3.154 20 10 CGCDRO Cc1cc(C)c(C[N@@H+]2CCc3cc(O)ccc3C2)c(O)c1 ZINC001231844737 818187823 /nfs/dbraw/zinc/18/78/23/818187823.db2.gz OQLNFPBKKZJNMF-UHFFFAOYSA-N 1 0 283.371 3.273 20 10 CGCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H]2CCC[C@H]2C1 ZINC001231851369 818189241 /nfs/dbraw/zinc/18/92/41/818189241.db2.gz GJGXRMSQCKIZQI-CABCVRRESA-N 1 0 288.435 3.383 20 10 CGCDRO CCN(CC[NH+]1CCCC1)Cc1cc(Cl)c(C)cc1O ZINC001231870542 818193505 /nfs/dbraw/zinc/19/35/05/818193505.db2.gz HZYOHYYBSYJZAO-UHFFFAOYSA-N 1 0 296.842 3.272 20 10 CGCDRO CCCO[C@@H]1CC[N@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC001231870725 818194323 /nfs/dbraw/zinc/19/43/23/818194323.db2.gz QLRDIBKDVIAOHB-CYBMUJFWSA-N 1 0 283.799 3.355 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2ccc3ccccc3c2O)CCC[C@@H]1O ZINC001231879467 818198713 /nfs/dbraw/zinc/19/87/13/818198713.db2.gz DFOBDEGHGVBPCJ-DYVFJYSZSA-N 1 0 285.387 3.138 20 10 CGCDRO Oc1c(C[N@@H+]2CCOC[C@H]2C2CC2)ccc2ccccc21 ZINC001231882016 818198806 /nfs/dbraw/zinc/19/88/06/818198806.db2.gz DDLNEBOXQZTGJW-KRWDZBQOSA-N 1 0 283.371 3.156 20 10 CGCDRO CCO[C@H]1CCC[N@H+](Cc2cc(Cl)c(OC)cc2O)C1 ZINC001232264963 818297943 /nfs/dbraw/zinc/29/79/43/818297943.db2.gz PREIMWVNHSZYPP-LBPRGKRZSA-N 1 0 299.798 3.055 20 10 CGCDRO CCOc1ccc(C[N@H+](C)Cc2ccccc2O)c(C)n1 ZINC001232309706 818311247 /nfs/dbraw/zinc/31/12/47/818311247.db2.gz DSEAODRIZODPIX-UHFFFAOYSA-N 1 0 286.375 3.126 20 10 CGCDRO CN1CC[N@H+](Cc2cc(C(C)(C)C)ccc2O)CC1(C)C ZINC001233286606 818567730 /nfs/dbraw/zinc/56/77/30/818567730.db2.gz APISHJSJVYOZNQ-UHFFFAOYSA-N 1 0 290.451 3.216 20 10 CGCDRO CC(C)[N@H+](Cc1c([O-])ccc(F)c1F)C1CCOCC1 ZINC001233336338 818588517 /nfs/dbraw/zinc/58/85/17/818588517.db2.gz INKFJJDQLITDGM-UHFFFAOYSA-N 1 0 285.334 3.060 20 10 CGCDRO CC1(C)C[N@H+](Cc2ccc(C(F)(F)F)cc2O)CCO1 ZINC001233451195 818623014 /nfs/dbraw/zinc/62/30/14/818623014.db2.gz AYXWHSLNHBVKSR-UHFFFAOYSA-N 1 0 289.297 3.022 20 10 CGCDRO C[C@@H]1COCC[N@@H+]1Cc1cccc(-c2ccccc2)c1O ZINC001234992817 818970700 /nfs/dbraw/zinc/97/07/00/818970700.db2.gz RVZAQISIPRPKJJ-CQSZACIVSA-N 1 0 283.371 3.280 20 10 CGCDRO COC[C@@H]1CC[N@@H+]1Cc1cccc(-c2ccccc2)c1O ZINC001235001254 818973855 /nfs/dbraw/zinc/97/38/55/818973855.db2.gz UCQXWRBEGDVWOV-INIZCTEOSA-N 1 0 283.371 3.280 20 10 CGCDRO CC(C)(C)c1ccc(C[N@@H+]2CC[C@]23CCOC3)c(O)c1 ZINC001235679247 819138201 /nfs/dbraw/zinc/13/82/01/819138201.db2.gz DQCFOWMUFSHMST-QGZVFWFLSA-N 1 0 275.392 3.055 20 10 CGCDRO CCN1CC[N@H+](Cc2ccc(C(C)(C)C)cc2O)C[C@H]1C ZINC001235680167 819140012 /nfs/dbraw/zinc/14/00/12/819140012.db2.gz JMQGTYURNWRGOE-CQSZACIVSA-N 1 0 290.451 3.216 20 10 CGCDRO CC(C)(C)c1ccc(C[N@@H+]2CC[C@H]3OCC[C@H]32)c(O)c1 ZINC001235683210 819141993 /nfs/dbraw/zinc/14/19/93/819141993.db2.gz SSRRBQGSVIZCLT-GDBMZVCRSA-N 1 0 275.392 3.053 20 10 CGCDRO CC[N@H+](Cc1nc2cc(F)ccc2[nH]1)Cc1ccccc1O ZINC001235695098 819145145 /nfs/dbraw/zinc/14/51/45/819145145.db2.gz JRSKGYGRVITGEQ-UHFFFAOYSA-N 1 0 299.349 3.430 20 10 CGCDRO CC[C@H]1C[NH2+]CCN1Cc1cccc(-c2ccccc2)c1O ZINC001235771578 819164934 /nfs/dbraw/zinc/16/49/34/819164934.db2.gz GREKMNQYTBWLKH-KRWDZBQOSA-N 1 0 296.414 3.243 20 10 CGCDRO C[C@@H]1CC[C@H]([NH3+])CN1Cc1ccc(N(C)C)c2ccccc12 ZINC001235892270 819202344 /nfs/dbraw/zinc/20/23/44/819202344.db2.gz OECGTSUYBSOHMD-ZBFHGGJFSA-N 1 0 297.446 3.217 20 10 CGCDRO CCN(Cc1ccc(-n2c(C)ccc2C)cc1)[C@H]1CC[NH2+]C1 ZINC001235969635 819253504 /nfs/dbraw/zinc/25/35/04/819253504.db2.gz BZOKZJWRTJBGMK-IBGZPJMESA-N 1 0 297.446 3.278 20 10 CGCDRO CCN(Cc1ccc(-n2c(C)ccc2C)cc1)[C@@H]1CC[NH2+]C1 ZINC001235969639 819254208 /nfs/dbraw/zinc/25/42/08/819254208.db2.gz BZOKZJWRTJBGMK-LJQANCHMSA-N 1 0 297.446 3.278 20 10 CGCDRO CCN(Cc1ccc(C(C)C)cc1O)[C@@H]1CCC[NH2+]C1 ZINC001236009097 819274108 /nfs/dbraw/zinc/27/41/08/819274108.db2.gz LBVQAJWHWIWWGM-MRXNPFEDSA-N 1 0 276.424 3.090 20 10 CGCDRO Cc1c(CN(C)[C@@H]2CCCC[C@@H]2[NH3+])c2ccccc2n1C ZINC001236214179 819377222 /nfs/dbraw/zinc/37/72/22/819377222.db2.gz COFMSAWJWMMJKP-FUHWJXTLSA-N 1 0 285.435 3.188 20 10 CGCDRO C[C@H]1[C@H]([NH3+])CCCN1Cc1cccc(-c2ccccc2)c1O ZINC001236417494 819463075 /nfs/dbraw/zinc/46/30/75/819463075.db2.gz FDGUYZWUOPVGMX-KBXCAEBGSA-N 1 0 296.414 3.371 20 10 CGCDRO CC(C)(C)c1cccc(CN(C2CC2)[C@@H]2CC[NH2+]C2)c1O ZINC001236529566 819521784 /nfs/dbraw/zinc/52/17/84/819521784.db2.gz RQFFGVWQKCWOFH-OAHLLOKOSA-N 1 0 288.435 3.016 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H]3CCC[C@H]3C2)cc1OC ZINC001236750597 819590091 /nfs/dbraw/zinc/59/00/91/819590091.db2.gz TYFJZTHZUGCAIQ-STQMWFEESA-N 1 0 291.391 3.031 20 10 CGCDRO CCCOC1CC[NH+](Cc2ccc(CC)cc2O)CC1 ZINC001236788418 819595149 /nfs/dbraw/zinc/59/51/49/819595149.db2.gz JYZMIMYOPFTKIV-UHFFFAOYSA-N 1 0 277.408 3.346 20 10 CGCDRO CCc1ccc(C[NH+]2CCC(c3ncccn3)CC2)c(O)c1 ZINC001236793908 819596822 /nfs/dbraw/zinc/59/68/22/819596822.db2.gz HBPJGLYRCRUMRB-UHFFFAOYSA-N 1 0 297.402 3.124 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CCC(F)(F)[C@H](C)C2)c(O)c1 ZINC001236806880 819601795 /nfs/dbraw/zinc/60/17/95/819601795.db2.gz BWRBZXVVKAKOGZ-LLVKDONJSA-N 1 0 285.334 3.186 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CCn3cccc3[C@H]2C)c(O)c1 ZINC001236810797 819603785 /nfs/dbraw/zinc/60/37/85/819603785.db2.gz JIISHUVHRJZHIB-CYBMUJFWSA-N 1 0 286.375 3.088 20 10 CGCDRO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1cc2ccccc2cc1O ZINC001236827116 819609603 /nfs/dbraw/zinc/60/96/03/819609603.db2.gz PIURJJCOMRNLNU-GOSISDBHSA-N 1 0 299.370 3.073 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2cc3ccccc3cc2O)CC[C@H]1O ZINC001236826733 819610694 /nfs/dbraw/zinc/61/06/94/819610694.db2.gz MBDWBMOJZGLSBQ-CXAGYDPISA-N 1 0 285.387 3.138 20 10 CGCDRO CC(C)c1ccc(C[NH+]2CCC3(COC3)CC2)c(O)c1 ZINC001237045298 819649593 /nfs/dbraw/zinc/64/95/93/819649593.db2.gz IJPQSECWHAPADJ-UHFFFAOYSA-N 1 0 275.392 3.128 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2CCC[C@]3(CCO3)C2)c(O)c1 ZINC001237048103 819651773 /nfs/dbraw/zinc/65/17/73/819651773.db2.gz CZJIGJDWHBUOCW-KRWDZBQOSA-N 1 0 275.392 3.271 20 10 CGCDRO CCN1CC[N@H+](Cc2ccc(C(C)C)cc2O)C[C@H]1C ZINC001237051645 819651860 /nfs/dbraw/zinc/65/18/60/819651860.db2.gz PQSUFVXIFBTZFC-CQSZACIVSA-N 1 0 276.424 3.042 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2C[C@H]3CCCN(C)[C@@H]3C2)c(O)c1 ZINC001237055806 819654035 /nfs/dbraw/zinc/65/40/35/819654035.db2.gz QGJSOIOETATQOQ-NVXWUHKLSA-N 1 0 288.435 3.042 20 10 CGCDRO Oc1cccc(OC(F)(F)F)c1C[NH+]1CCC(F)CC1 ZINC001237120503 819671784 /nfs/dbraw/zinc/67/17/84/819671784.db2.gz QEXLAOKCWJZILE-UHFFFAOYSA-N 1 0 293.260 3.225 20 10 CGCDRO Oc1cccc(OC(F)(F)F)c1C[NH+]1CCCCC1 ZINC001237119782 819672109 /nfs/dbraw/zinc/67/21/09/819672109.db2.gz KUYFEABNFIKZQT-UHFFFAOYSA-N 1 0 275.270 3.277 20 10 CGCDRO Oc1ccc(C(F)(F)F)cc1C[NH+]1CCC(F)CC1 ZINC001237134826 819675296 /nfs/dbraw/zinc/67/52/96/819675296.db2.gz CYSOLCXECUHYTB-UHFFFAOYSA-N 1 0 277.261 3.345 20 10 CGCDRO C[N@@H+](Cc1cc(C(F)(F)F)ccc1O)CC1CC1 ZINC001237135522 819675673 /nfs/dbraw/zinc/67/56/73/819675673.db2.gz JGJFQMMXPBTZLG-UHFFFAOYSA-N 1 0 259.271 3.253 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC001237492428 819763533 /nfs/dbraw/zinc/76/35/33/819763533.db2.gz PHCJFSLPQZEPTO-UHFFFAOYSA-N 1 0 284.403 3.399 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC001237490405 819763589 /nfs/dbraw/zinc/76/35/89/819763589.db2.gz UNKADLXAEBBIDV-MRXNPFEDSA-N 1 0 283.371 3.354 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001237492399 819763742 /nfs/dbraw/zinc/76/37/42/819763742.db2.gz OLZFXHJHMDGHTD-UHFFFAOYSA-N 1 0 299.370 3.060 20 10 CGCDRO Cc1cccc(O)c1C[NH+]1CCC(Oc2ccccn2)CC1 ZINC001237489884 819763874 /nfs/dbraw/zinc/76/38/74/819763874.db2.gz MNSRXGFTWOKFFB-UHFFFAOYSA-N 1 0 298.386 3.139 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC001237490401 819764050 /nfs/dbraw/zinc/76/40/50/819764050.db2.gz UNKADLXAEBBIDV-INIZCTEOSA-N 1 0 283.371 3.354 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+](C)CCN(C)Cc1ccccc1 ZINC001237490776 819764886 /nfs/dbraw/zinc/76/48/86/819764886.db2.gz AZVMIFUCPYPOEU-UHFFFAOYSA-N 1 0 298.430 3.264 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2CCC[C@H]2C)cc1Br ZINC001237678479 819804242 /nfs/dbraw/zinc/80/42/42/819804242.db2.gz ZTGJNMBPYHKKKT-SNVBAGLBSA-N 1 0 284.197 3.447 20 10 CGCDRO CCC[N@H+](C)Cc1cc(Br)c(C)cc1O ZINC001237678261 819804582 /nfs/dbraw/zinc/80/45/82/819804582.db2.gz XJPVTYMTKJCDMB-UHFFFAOYSA-N 1 0 272.186 3.305 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(C2=CC[NH2+]CC2)cc1 ZINC001240468084 821077109 /nfs/dbraw/zinc/07/71/09/821077109.db2.gz XNDVCVWCUDWQHX-UHFFFAOYSA-N 1 0 252.361 3.471 20 10 CGCDRO CN1CCC(C)(C)c2cc(C3=CCC[NH2+]C3)ccc21 ZINC001240670143 821231628 /nfs/dbraw/zinc/23/16/28/821231628.db2.gz GRUSMJBZANNAAW-UHFFFAOYSA-N 1 0 256.393 3.181 20 10 CGCDRO C[C@H]([NH3+])c1ccc(C2=CCN(c3ccccc3)CC2)cn1 ZINC001241359716 821760842 /nfs/dbraw/zinc/76/08/42/821760842.db2.gz BGTAMOJZLMNTDV-AWEZNQCLSA-N 1 0 279.387 3.395 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]C1CC3(CC3(F)F)C1)CC2 ZINC001350159773 936981752 /nfs/dbraw/zinc/98/17/52/936981752.db2.gz MZKIAODLDJZRQL-CVZZAPKMSA-N 1 0 265.303 3.157 20 10 CGCDRO FC(F)CCC[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001350899912 937002369 /nfs/dbraw/zinc/00/23/69/937002369.db2.gz MWODJJUYFAHYMC-UHFFFAOYSA-N 1 0 268.351 3.422 20 10 CGCDRO CCC[N@H+](Cc1ccc(N)cc1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC001352786757 937049535 /nfs/dbraw/zinc/04/95/35/937049535.db2.gz AAOLZWDJENXEQD-GVDBMIGSSA-N 1 0 288.435 3.294 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(C)nc2Cl)c1 ZINC000883292654 928430475 /nfs/dbraw/zinc/43/04/75/928430475.db2.gz VKICFAOJVBMELF-UHFFFAOYSA-N 1 0 276.767 3.347 20 10 CGCDRO Cc1cc(C[N@@H+]2CCC[C@@H](C(C)(C)O)C2)ccc1N(C)C ZINC001460751824 937543529 /nfs/dbraw/zinc/54/35/29/937543529.db2.gz RAJBJUMUMBTKJW-MRXNPFEDSA-N 1 0 290.451 3.044 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CO[C@H](C)C1)c1ccc2ccccc2c1O ZINC000402389081 932018188 /nfs/dbraw/zinc/01/81/88/932018188.db2.gz RYWYCCAKGOXNAB-DYEKYZERSA-N 1 0 271.360 3.373 20 10 CGCDRO Cc1c2ccccc2n(C)c1C[NH2+]CCOc1cccnc1 ZINC001461210597 937569720 /nfs/dbraw/zinc/56/97/20/937569720.db2.gz DYMPZLOHAZOKHW-UHFFFAOYSA-N 1 0 295.386 3.050 20 10 CGCDRO CCCOc1ccc(C[NH2+]C[C@H](O)CC(C)C)cc1C ZINC001461235086 937571606 /nfs/dbraw/zinc/57/16/06/937571606.db2.gz QBCKELKXFUQTBW-MRXNPFEDSA-N 1 0 279.424 3.280 20 10 CGCDRO CCn1c2ccccc2nc1C[NH2+]Cc1cc(F)ccc1O ZINC001462061894 937615290 /nfs/dbraw/zinc/61/52/90/937615290.db2.gz IPDIJTNFQGTWDO-UHFFFAOYSA-N 1 0 299.349 3.191 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCC[C@@H](F)C2)cc1 ZINC001332434658 932744432 /nfs/dbraw/zinc/74/44/32/932744432.db2.gz CYALVXDQWJMBJM-ZIAGYGMSSA-N 1 0 250.361 3.123 20 10 CGCDRO Cc1cc(O)c(C[NH+]2CC3(CCC3)C2)c(Cl)c1 ZINC001462322001 937632610 /nfs/dbraw/zinc/63/26/10/937632610.db2.gz GAAWJNQXXSHINX-UHFFFAOYSA-N 1 0 251.757 3.340 20 10 CGCDRO Cc1cc(C[N@H+]2CCOC[C@@H]2CC(C)C)ccc1N(C)C ZINC001307479126 932957991 /nfs/dbraw/zinc/95/79/91/932957991.db2.gz OSOBXYSYKGKFQB-KRWDZBQOSA-N 1 0 290.451 3.308 20 10 CGCDRO CCCOc1ccc(C[NH2+]C[C@H]2CCCCO2)cc1C ZINC001308234849 933079083 /nfs/dbraw/zinc/07/90/83/933079083.db2.gz ZWNDMYKBEXOPJR-MRXNPFEDSA-N 1 0 277.408 3.443 20 10 CGCDRO CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(Cl)cc2[O-])[C@@H](C)C1 ZINC001308569551 933134085 /nfs/dbraw/zinc/13/40/85/933134085.db2.gz YHRVJXGRIKOGHA-SWLSCSKDSA-N 1 0 296.842 3.208 20 10 CGCDRO CC[C@H]1CC[N@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC001308585498 933138896 /nfs/dbraw/zinc/13/88/96/933138896.db2.gz ZXYKLFVLCWPLEY-YVACAVLKSA-N 1 0 258.409 3.498 20 10 CGCDRO CCC1(CO)CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001308609630 933141349 /nfs/dbraw/zinc/14/13/49/933141349.db2.gz SNJZROHOAFOSGP-UHFFFAOYSA-N 1 0 283.799 3.030 20 10 CGCDRO COc1ccc2c(c1)CCCCN2CC1CC[NH+](C)CC1 ZINC001308797736 933179306 /nfs/dbraw/zinc/17/93/06/933179306.db2.gz VYEGVGOPIGNYCV-UHFFFAOYSA-N 1 0 288.435 3.180 20 10 CGCDRO Oc1cc(Cl)ccc1C[NH2+]C[C@@H]1CCC2(CCC2)CO1 ZINC001308940768 933208691 /nfs/dbraw/zinc/20/86/91/933208691.db2.gz IFCPUZZKARHCAX-AWEZNQCLSA-N 1 0 295.810 3.485 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)CC(=O)OC(C)(C)C)c(O)c1 ZINC001320253501 934021415 /nfs/dbraw/zinc/02/14/15/934021415.db2.gz WVVGXIAFXRTTEC-STQMWFEESA-N 1 0 293.407 3.472 20 10 CGCDRO Cc1nccn1CCC[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2C ZINC001321023099 934135846 /nfs/dbraw/zinc/13/58/46/934135846.db2.gz KLOTVBJOKVTLIA-DZGCQCFKSA-N 1 0 299.418 3.434 20 10 CGCDRO CC[C@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)C[C@@H](C)O1 ZINC001323302694 934381956 /nfs/dbraw/zinc/38/19/56/934381956.db2.gz GJVNDQJDARVIAA-QAPCUYQASA-N 1 0 288.435 3.286 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+]C2C[C@@H]3[C@H](C2)C3(F)F)cc1 ZINC001327197252 935043072 /nfs/dbraw/zinc/04/30/72/935043072.db2.gz ARVJHAMSLZBZDJ-FOGMFHSISA-N 1 0 292.373 3.399 20 10 CGCDRO CC(C)[C@H](O)C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC001327499610 935065026 /nfs/dbraw/zinc/06/50/26/935065026.db2.gz QLHPLZCZZDPLCI-GOSISDBHSA-N 1 0 290.451 3.126 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C2CC3(CC3(F)F)C2)c1 ZINC001327609747 935073216 /nfs/dbraw/zinc/07/32/16/935073216.db2.gz XGXIIUWYALDIOV-IPWFMCSPSA-N 1 0 283.318 3.239 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)c1 ZINC001327604958 935073942 /nfs/dbraw/zinc/07/39/42/935073942.db2.gz DLMLEQBSGWCORG-GIFSMMMISA-N 1 0 297.345 3.485 20 10 CGCDRO FC1(F)[C@@H]2CC[C@H]([NH2+]Cc3ccc4c(c3)CCO4)C[C@@H]21 ZINC001328063027 935113732 /nfs/dbraw/zinc/11/37/32/935113732.db2.gz VRLJSKFYFWSQNJ-MJBXVCDLSA-N 1 0 279.330 3.145 20 10 CGCDRO Nc1ccc(C[N@@H+]2CCS[C@H]3CCCC[C@H]32)cc1 ZINC001335284629 936137370 /nfs/dbraw/zinc/13/73/70/936137370.db2.gz FVRKWEWGLFNZDG-CABCVRRESA-N 1 0 262.422 3.129 20 10 CGCDRO CC(C)c1ccc([C@H](N)C[NH2+]Cc2ccc(N)cc2)cc1 ZINC001336286548 936186138 /nfs/dbraw/zinc/18/61/38/936186138.db2.gz RYMUVNQARXAGJU-GOSISDBHSA-N 1 0 283.419 3.182 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(N)cc1)c1ccc2c(c1)CCCO2 ZINC001336286574 936186289 /nfs/dbraw/zinc/18/62/89/936186289.db2.gz SRPFHYIKDRWTHW-ZDUSSCGKSA-N 1 0 282.387 3.445 20 10 CGCDRO F[C@]1(c2ccccc2)C[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC001474186528 937843169 /nfs/dbraw/zinc/84/31/69/937843169.db2.gz IEZJUEQTBMHJGV-ROUUACIJSA-N 1 0 283.346 3.348 20 10 CGCDRO CCc1cccc(C[NH2+][C@H]2CCOCC23CCCC3)c1O ZINC001474754497 937879069 /nfs/dbraw/zinc/87/90/69/937879069.db2.gz BAXGCSPYXFALCU-INIZCTEOSA-N 1 0 289.419 3.394 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CCO[C@H](C3CC3)C2)cc1C ZINC001560432756 938258209 /nfs/dbraw/zinc/25/82/09/938258209.db2.gz MCAOPHPFVQYQDU-WBVHZDCISA-N 1 0 275.392 3.051 20 10 CGCDRO CCC[C@@H](C)CC[NH2+]Cc1cc(OC)c(OC)cc1O ZINC001560989277 938288329 /nfs/dbraw/zinc/28/83/29/938288329.db2.gz WUTVQWLUIVTVJV-GFCCVEGCSA-N 1 0 281.396 3.325 20 10 CGCDRO C[C@H]([NH2+]CCCc1ccccn1)c1ccc(N(C)C)cc1 ZINC000181492193 957825810 /nfs/dbraw/zinc/82/58/10/957825810.db2.gz KFOFDFUCWZDJQR-HNNXBMFYSA-N 1 0 283.419 3.431 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H]2c2ccc(C)nc2)c1 ZINC001203680107 957891666 /nfs/dbraw/zinc/89/16/66/957891666.db2.gz DWLZIRCSSCKHFN-QGZVFWFLSA-N 1 0 298.386 3.441 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+][C@@H](c2cnn[nH]2)C(C)C)c1 ZINC001575455431 962381141 /nfs/dbraw/zinc/38/11/41/962381141.db2.gz XUGVOIHPAUSIKW-MRXNPFEDSA-N 1 0 288.395 3.121 20 10 CGCDRO C[C@H]1CCc2ccccc2N1CC[NH2+]Cc1ccc(N)cc1 ZINC001576757719 962495408 /nfs/dbraw/zinc/49/54/08/962495408.db2.gz DQHWYNDPOLFEOS-HNNXBMFYSA-N 1 0 295.430 3.200 20 10 CGCDRO CCC1(CC)CN(C(=O)C2=CC[C@@H]([NH3+])C2)c2ccccc21 ZINC001577217733 962516370 /nfs/dbraw/zinc/51/63/70/962516370.db2.gz NHCUTSFSPPUJMC-CQSZACIVSA-N 1 0 284.403 3.139 20 10 CGCDRO CCCOc1ccc(CNC[C@@H]2CCCC[NH2+]2)cc1C ZINC001577586370 962553375 /nfs/dbraw/zinc/55/33/75/962553375.db2.gz RTUZAJHQDSKMIO-INIZCTEOSA-N 1 0 276.424 3.016 20 10 CGCDRO Cc1cc(O)c(C[N@H+](C[C@@H]2CCOC2)C2CC2)cc1C ZINC000059579163 345208269 /nfs/dbraw/zinc/20/82/69/345208269.db2.gz LPVZXVJRNBNQJH-AWEZNQCLSA-N 1 0 275.392 3.010 20 10 CGCDRO Cc1cc(O)c(C[N@H+](C[C@H]2CCOC2)C2CC2)cc1C ZINC000059579164 345208416 /nfs/dbraw/zinc/20/84/16/345208416.db2.gz LPVZXVJRNBNQJH-CQSZACIVSA-N 1 0 275.392 3.010 20 10 CGCDRO COc1ccc(C[NH2+]C[C@@](C)(O)c2ccsc2)cc1C ZINC000265886012 346407760 /nfs/dbraw/zinc/40/77/60/346407760.db2.gz PPZUKGADNQXPMK-MRXNPFEDSA-N 1 0 291.416 3.062 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)[C@@H]2CCOC2)cc1F ZINC000266139890 346408082 /nfs/dbraw/zinc/40/80/82/346408082.db2.gz GRCFFPOKSYRIEI-UKRRQHHQSA-N 1 0 294.414 3.187 20 10 CGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@@H]1CCOC2(CCC2)C1 ZINC000094364480 283308365 /nfs/dbraw/zinc/30/83/65/283308365.db2.gz TVKVCZGIPBDNOL-QGZVFWFLSA-N 1 0 288.435 3.463 20 10 CGCDRO C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc(F)c(F)c1[O-] ZINC000187701198 296121235 /nfs/dbraw/zinc/12/12/35/296121235.db2.gz NKJFNRFIHKKMDQ-LLVKDONJSA-N 1 0 298.377 3.053 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCc3ccsc3C2)c1 ZINC000127079322 370948294 /nfs/dbraw/zinc/94/82/94/370948294.db2.gz DDPDEZZCLVJUFJ-UHFFFAOYSA-N 1 0 259.374 3.320 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)[C@H]1CCCO1 ZINC000020208479 368804949 /nfs/dbraw/zinc/80/49/49/368804949.db2.gz GBQBDJPAYKUSGB-CRAIPNDOSA-N 1 0 288.435 3.334 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1CCCO1)c1ccc2ccccc2c1O ZINC000019963534 368791090 /nfs/dbraw/zinc/79/10/90/368791090.db2.gz IATSAEKYGZDSDR-TZMCWYRMSA-N 1 0 271.360 3.375 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@H](C)c2ccccc2)c1 ZINC000020085353 368797453 /nfs/dbraw/zinc/79/74/53/368797453.db2.gz HLPZNJLGVUZACK-GFCCVEGCSA-N 1 0 257.333 3.252 20 10 CGCDRO Oc1ccc2ccccc2c1C[N@@H+]1CC[C@@H](N2CCCC2)C1 ZINC000066081029 369687873 /nfs/dbraw/zinc/68/78/73/369687873.db2.gz QEHSPMDLXPEJNM-MRXNPFEDSA-N 1 0 296.414 3.216 20 10 CGCDRO COc1ccc(C[N@H+](C)Cc2ccccc2O)cc1OC ZINC000091974492 370083336 /nfs/dbraw/zinc/08/33/36/370083336.db2.gz CLYGLIPOQSPXJE-UHFFFAOYSA-N 1 0 287.359 3.041 20 10 CGCDRO COc1cccc(C[N@@H+]2CCC[C@@H]2c2cccc(C)n2)c1O ZINC000093453488 370134124 /nfs/dbraw/zinc/13/41/24/370134124.db2.gz GXOTZTHTCDPVEW-MRXNPFEDSA-N 1 0 298.386 3.441 20 10 CGCDRO Oc1ccccc1C[N@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000111245081 370395245 /nfs/dbraw/zinc/39/52/45/370395245.db2.gz FFVGWWQVYQCNML-MRXNPFEDSA-N 1 0 275.392 3.316 20 10 CGCDRO Cc1csc(C(C)(C)[NH2+]Cc2cc(C)ccc2O)n1 ZINC000116381769 370557815 /nfs/dbraw/zinc/55/78/15/370557815.db2.gz AHQACIAJCCMRMU-UHFFFAOYSA-N 1 0 276.405 3.490 20 10 CGCDRO CCC[N@H+](CCCCCOC)Cc1ccccc1O ZINC000116878309 370572500 /nfs/dbraw/zinc/57/25/00/370572500.db2.gz HETUINZMWPQXDG-UHFFFAOYSA-N 1 0 265.397 3.421 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCOC3(CCCC3)C2)cc1 ZINC000136689466 371481846 /nfs/dbraw/zinc/48/18/46/371481846.db2.gz XLZPMQWAEITJCS-INIZCTEOSA-N 1 0 288.435 3.334 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H]1CC[N@H+](CC)C1)c1cccc(Cl)c1[O-] ZINC000287573841 371675409 /nfs/dbraw/zinc/67/54/09/371675409.db2.gz GZJHLCPCULHVAZ-IUODEOHRSA-N 1 0 296.842 3.428 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCSC(C)C)c1 ZINC000287255695 371628080 /nfs/dbraw/zinc/62/80/80/371628080.db2.gz ZTYCFYMYFRHWJB-GFCCVEGCSA-N 1 0 253.411 3.493 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCOC[C@@H]2C)c(O)c1C ZINC000287342610 371642221 /nfs/dbraw/zinc/64/22/21/371642221.db2.gz GLDJZDNKYBOIIO-QEJZJMRPSA-N 1 0 277.408 3.332 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1CCOC[C@H]1C)c1ccc(N(C)C)cc1 ZINC000287462239 371660762 /nfs/dbraw/zinc/66/07/62/371660762.db2.gz LZHLXNTZWYNBPA-YCPHGPKFSA-N 1 0 276.424 3.076 20 10 CGCDRO C[C@@H](CF)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000288529669 371738937 /nfs/dbraw/zinc/73/89/37/371738937.db2.gz VPWSFKWZESPHHD-ZDUSSCGKSA-N 1 0 250.361 3.125 20 10 CGCDRO C[C@H](CF)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000288529666 371739390 /nfs/dbraw/zinc/73/93/90/371739390.db2.gz VPWSFKWZESPHHD-CYBMUJFWSA-N 1 0 250.361 3.125 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H]2c3ccccc3O[C@H]2C)c1O ZINC000288710336 371742893 /nfs/dbraw/zinc/74/28/93/371742893.db2.gz ZDVPOVXPVMMDGR-SJCJKPOMSA-N 1 0 299.370 3.403 20 10 CGCDRO Cc1cccc(C[N@H+]2CCCCC[C@H]2C[C@@H](C)O)c1O ZINC000289233013 371753183 /nfs/dbraw/zinc/75/31/83/371753183.db2.gz DDMDOROSNMHABD-ZBFHGGJFSA-N 1 0 277.408 3.216 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]C2CCN(C3CC3)CC2)c(O)c1 ZINC000293596334 372420522 /nfs/dbraw/zinc/42/05/22/372420522.db2.gz FUKVMAXBUYCALH-AWEZNQCLSA-N 1 0 288.435 3.286 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+][C@@H]2c3ccccc3C[C@@H]2O)c(O)c1 ZINC000293748224 372468395 /nfs/dbraw/zinc/46/83/95/372468395.db2.gz NYTUHIHRSCWKST-XVGQJIODSA-N 1 0 297.398 3.318 20 10 CGCDRO CC(C)(CO)CC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000294812737 372672838 /nfs/dbraw/zinc/67/28/38/372672838.db2.gz OAEQTJJIUMMPOG-UHFFFAOYSA-N 1 0 290.451 3.175 20 10 CGCDRO CCC[N@H+](CCCC(=O)CC)Cc1ccccc1O ZINC000295082189 372689869 /nfs/dbraw/zinc/68/98/69/372689869.db2.gz RIVDADIEVARACB-UHFFFAOYSA-N 1 0 263.381 3.364 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]C1Cc3ccccc3C1)CC2 ZINC000296325360 373091377 /nfs/dbraw/zinc/09/13/77/373091377.db2.gz GAOJWHLOLWCAMI-INIZCTEOSA-N 1 0 265.356 3.137 20 10 CGCDRO CCn1ccnc1C[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000296349014 373098359 /nfs/dbraw/zinc/09/83/59/373098359.db2.gz IFVOMUMOSUUQNX-CYBMUJFWSA-N 1 0 273.380 3.076 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H](C)CCCO)c(O)c1 ZINC000296349031 373099955 /nfs/dbraw/zinc/09/99/55/373099955.db2.gz IFXXMXBCRUOEDK-RISCZKNCSA-N 1 0 265.397 3.068 20 10 CGCDRO Cc1cccnc1CC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000296532732 373167317 /nfs/dbraw/zinc/16/73/17/373167317.db2.gz QODIRIQEWYNZCC-OAHLLOKOSA-N 1 0 283.419 3.349 20 10 CGCDRO CO[C@@H](C[NH2+][C@H](C)c1ccccc1O)Cc1ccccc1 ZINC000296403379 373122031 /nfs/dbraw/zinc/12/20/31/373122031.db2.gz VZESEGHEPISJPX-GDBMZVCRSA-N 1 0 285.387 3.301 20 10 CGCDRO C[C@](O)(C[NH2+][C@@H]1CCc2cccc(O)c21)C1CCCCC1 ZINC000296539882 373170416 /nfs/dbraw/zinc/17/04/16/373170416.db2.gz SHCHBDXENLHIFH-QAPCUYQASA-N 1 0 289.419 3.300 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](C)CCCO)c(O)c1C ZINC000296462324 373142893 /nfs/dbraw/zinc/14/28/93/373142893.db2.gz NIHPMMAQFIIFNO-RISCZKNCSA-N 1 0 265.397 3.068 20 10 CGCDRO CC[N@H+](Cc1ccc(N2CCC(OC)CC2)cc1)C1CC1 ZINC000296669344 373215620 /nfs/dbraw/zinc/21/56/20/373215620.db2.gz ZFUSUJYOQCBWKQ-UHFFFAOYSA-N 1 0 288.435 3.286 20 10 CGCDRO COc1cccc(C[N@H+](C)Cc2ccc(C)cc2)c1O ZINC000179602287 373893602 /nfs/dbraw/zinc/89/36/02/373893602.db2.gz NWUBCJALCYFXOJ-UHFFFAOYSA-N 1 0 271.360 3.341 20 10 CGCDRO C[C@@H]([NH2+]CCN(C)c1ccccc1)c1ccccc1O ZINC000179888698 373934961 /nfs/dbraw/zinc/93/49/61/373934961.db2.gz SSZGNICMVNCLJP-CQSZACIVSA-N 1 0 270.376 3.179 20 10 CGCDRO CCCC(O)(CCC)C[NH2+]Cc1cccc(C)c1O ZINC000182409224 374269648 /nfs/dbraw/zinc/26/96/48/374269648.db2.gz ADECCAOBGQQTBH-UHFFFAOYSA-N 1 0 265.397 3.122 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccccc1O ZINC000183471002 374417737 /nfs/dbraw/zinc/41/77/37/374417737.db2.gz MOOXQIVAAHPWMC-GFCCVEGCSA-N 1 0 288.366 3.448 20 10 CGCDRO C[C@@H](c1ccccn1)[N@H+](C)Cc1cc(F)ccc1O ZINC000183676324 374440011 /nfs/dbraw/zinc/44/00/11/374440011.db2.gz WHWWZFJMDPYVIT-NSHDSACASA-N 1 0 260.312 3.119 20 10 CGCDRO C[C@@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1ccccc1O ZINC000183667020 374440757 /nfs/dbraw/zinc/44/07/57/374440757.db2.gz YTGWFQBUDPOWEP-QCPWZWHMSA-N 1 0 287.403 3.391 20 10 CGCDRO CCOc1cccc(C[N@H+](C)[C@@H](C)c2cccnc2)c1O ZINC000183724742 374446966 /nfs/dbraw/zinc/44/69/66/374446966.db2.gz WEGLDAHCKRTIMW-ZDUSSCGKSA-N 1 0 286.375 3.379 20 10 CGCDRO C[C@H](C[NH2+][C@H](C)c1cc(F)ccc1O)c1nccs1 ZINC000186751892 374912554 /nfs/dbraw/zinc/91/25/54/374912554.db2.gz ZFYMMSSHOAZBQU-NXEZZACHSA-N 1 0 280.368 3.442 20 10 CGCDRO CC[C@@H]([NH2+]Cc1c(C)c2ccccc2n1C)c1ccn(C)n1 ZINC000479449745 375153647 /nfs/dbraw/zinc/15/36/47/375153647.db2.gz DZRZCKUHFXYAMC-OAHLLOKOSA-N 1 0 296.418 3.461 20 10 CGCDRO CO[C@@H](C)[C@H](C)[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000191639670 375646297 /nfs/dbraw/zinc/64/62/97/375646297.db2.gz YKNQRFZRIZNLFQ-AEJSXWLSSA-N 1 0 257.761 3.120 20 10 CGCDRO Cc1nc2ccccc2n1CC[NH2+][C@@H](C)c1ccccc1O ZINC000192945802 375806115 /nfs/dbraw/zinc/80/61/15/375806115.db2.gz HLIYIFJNDZVCSM-ZDUSSCGKSA-N 1 0 295.386 3.401 20 10 CGCDRO CCc1ccccc1C[NH2+]Cc1cc(F)ccc1O ZINC000226611538 376366370 /nfs/dbraw/zinc/36/63/70/376366370.db2.gz ZXWQNLKCGLHVDH-UHFFFAOYSA-N 1 0 259.324 3.384 20 10 CGCDRO COC[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccccc1 ZINC000226652849 376368662 /nfs/dbraw/zinc/36/86/62/376368662.db2.gz MKAGLCUTOFNUEA-SFHVURJKSA-N 1 0 284.403 3.230 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21)c1cc(F)ccc1O ZINC000248533930 377338950 /nfs/dbraw/zinc/33/89/50/377338950.db2.gz ZMASTTXXAVUUTP-JPYFCXBMSA-N 1 0 279.355 3.140 20 10 CGCDRO C[N@H+](CCC(C)(C)O)Cc1ccc(N2CCCCC2)cc1 ZINC000267355348 378036716 /nfs/dbraw/zinc/03/67/16/378036716.db2.gz BNMYOQKVNJSWNT-UHFFFAOYSA-N 1 0 290.451 3.270 20 10 CGCDRO C[C@@H](c1ccccc1)[N@H+](CCCO)Cc1ccccc1O ZINC000268320316 378053219 /nfs/dbraw/zinc/05/32/19/378053219.db2.gz RQLLHWHZCALTMP-HNNXBMFYSA-N 1 0 285.387 3.338 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1CCOC1)c1ccc(N2CCCCC2)cc1 ZINC000268883802 378142509 /nfs/dbraw/zinc/14/25/09/378142509.db2.gz YKXINGCSNVYDQL-HZPDHXFCSA-N 1 0 288.435 3.364 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H](C)CCO)c1ccc(N2CCCCC2)cc1 ZINC000268913511 378152050 /nfs/dbraw/zinc/15/20/50/378152050.db2.gz GYKKTFQBHGYJMK-JKSUJKDBSA-N 1 0 290.451 3.346 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCOC3(CCC3)C2)cc1C ZINC000268958761 378161817 /nfs/dbraw/zinc/16/18/17/378161817.db2.gz HMLOARXYPCRBNO-HNNXBMFYSA-N 1 0 275.392 3.200 20 10 CGCDRO CC[C@H](O)CC[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000269005818 378172695 /nfs/dbraw/zinc/17/26/95/378172695.db2.gz LFIGDSMIQJKXFC-QAPCUYQASA-N 1 0 290.451 3.489 20 10 CGCDRO CC[C@H]([NH2+]C[C@H](C)C[C@@H](C)O)c1ccc(N(C)C)cc1 ZINC000269067429 378183295 /nfs/dbraw/zinc/18/32/95/378183295.db2.gz VYSVFNTVAIIIER-CPUCHLNUSA-N 1 0 278.440 3.200 20 10 CGCDRO CO[C@H](c1ccccc1F)[C@H](C)[NH2+]Cc1ccccc1O ZINC000271976946 378534298 /nfs/dbraw/zinc/53/42/98/378534298.db2.gz IVDJVVBLPXPAPO-SJCJKPOMSA-N 1 0 289.350 3.397 20 10 CGCDRO CC(C)C[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2O)CCO1 ZINC000272698272 378690148 /nfs/dbraw/zinc/69/01/48/378690148.db2.gz YFLSTLULDNSFSZ-CABCVRRESA-N 1 0 281.371 3.215 20 10 CGCDRO C[C@@H](Cn1ccnc1)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000273430358 378745756 /nfs/dbraw/zinc/74/57/56/378745756.db2.gz VKQYDPHRPCTPKQ-KBPBESRZSA-N 1 0 299.418 3.207 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2nnc(C(C)C)[nH]2)c(O)c1 ZINC000273510341 378749849 /nfs/dbraw/zinc/74/98/49/378749849.db2.gz RQDRPAFSKFWCLY-RYUDHWBXSA-N 1 0 288.395 3.354 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2nnc(C(C)C)[nH]2)c(O)c1 ZINC000273510336 378750840 /nfs/dbraw/zinc/75/08/40/378750840.db2.gz RQDRPAFSKFWCLY-NEPJUHHUSA-N 1 0 288.395 3.354 20 10 CGCDRO C[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)c1cnn(C)c1 ZINC000273551308 378751966 /nfs/dbraw/zinc/75/19/66/378751966.db2.gz GBUKKXNNJRXSJO-UWVGGRQHSA-N 1 0 279.771 3.191 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)CCO)c(O)c1C ZINC000273589348 378753621 /nfs/dbraw/zinc/75/36/21/378753621.db2.gz OTYSWKOJAIVXLG-CYBMUJFWSA-N 1 0 265.397 3.068 20 10 CGCDRO CO[C@@H](C[NH2+][C@H](C)c1ccc(C)c(C)c1O)C(C)C ZINC000273566846 378754319 /nfs/dbraw/zinc/75/43/19/378754319.db2.gz JTPWSUZBCCPOHO-HIFRSBDPSA-N 1 0 265.397 3.331 20 10 CGCDRO CO[C@H](C[NH2+][C@H](C)c1ccc(C)c(C)c1O)C(C)C ZINC000273566847 378754706 /nfs/dbraw/zinc/75/47/06/378754706.db2.gz JTPWSUZBCCPOHO-UKRRQHHQSA-N 1 0 265.397 3.331 20 10 CGCDRO C[C@H]([NH2+][C@H]1CN(C2CC2)C[C@H]1C)c1cc(Cl)ccc1O ZINC000273575769 378754791 /nfs/dbraw/zinc/75/47/91/378754791.db2.gz LVQODASZQQKXHF-ZETOZRRWSA-N 1 0 294.826 3.179 20 10 CGCDRO COc1ccc2c(c1)OC[C@@H]([NH2+][C@H](C)c1ccccc1O)C2 ZINC000272795549 378705609 /nfs/dbraw/zinc/70/56/09/378705609.db2.gz AJUXUZWHNBEQNN-OCCSQVGLSA-N 1 0 299.370 3.055 20 10 CGCDRO C[C@H](CCO)C1(C[NH2+][C@H](C)c2ccccc2O)CCC1 ZINC000272827730 378711438 /nfs/dbraw/zinc/71/14/38/378711438.db2.gz HBEXGYIGCASXLI-ZIAGYGMSSA-N 1 0 277.408 3.232 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CC[S@](=O)C(C)(C)C)c(O)c1C ZINC000273607893 378755535 /nfs/dbraw/zinc/75/55/35/378755535.db2.gz USGMCYKEDMABKY-XCLFUZPHSA-N 1 0 297.464 3.207 20 10 CGCDRO [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@H]1C1CC1 ZINC000371424045 379161852 /nfs/dbraw/zinc/16/18/52/379161852.db2.gz FROUDHSAGMYLJE-ZDUSSCGKSA-N 1 0 251.757 3.420 20 10 CGCDRO CCOc1cccc(C[NH2+]C[C@@H]2CCC(F)(F)C2)c1O ZINC000281742352 379845982 /nfs/dbraw/zinc/84/59/82/379845982.db2.gz RQPORMZCLOYVCH-LLVKDONJSA-N 1 0 285.334 3.316 20 10 CGCDRO CC[C@H]([NH2+]CCF)c1cc(Br)ccc1O ZINC000281149560 379819921 /nfs/dbraw/zinc/81/99/21/379819921.db2.gz VBMBAYFQKMYRFY-JTQLQIEISA-N 1 0 276.149 3.165 20 10 CGCDRO CCC(CC)(CCO)[NH2+]Cc1cc(C)c(C)cc1O ZINC000282949381 380015936 /nfs/dbraw/zinc/01/59/36/380015936.db2.gz JNJQJIXPNLIXPO-UHFFFAOYSA-N 1 0 265.397 3.040 20 10 CGCDRO Cc1n[nH]cc1CCC[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000284199472 380136741 /nfs/dbraw/zinc/13/67/41/380136741.db2.gz SAKLLGOCNPORTF-AWEZNQCLSA-N 1 0 287.407 3.324 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCCC[C@H]2c2cc[nH]n2)cc1C ZINC000285242762 380146026 /nfs/dbraw/zinc/14/60/26/380146026.db2.gz ZQIMVSWPUFZOPM-INIZCTEOSA-N 1 0 285.391 3.459 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCCCCCO)c(O)c1 ZINC000285344460 380147324 /nfs/dbraw/zinc/14/73/24/380147324.db2.gz UYIPSTNNNZYMFR-CQSZACIVSA-N 1 0 265.397 3.212 20 10 CGCDRO CO[C@@H](C[NH2+][C@H](C)c1c(C)cc(C)cc1O)C(C)C ZINC000284177904 380134559 /nfs/dbraw/zinc/13/45/59/380134559.db2.gz QVMGMGHRDUTYSU-HIFRSBDPSA-N 1 0 265.397 3.331 20 10 CGCDRO Cc1noc(C)c1C(C)(C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000285586427 380151033 /nfs/dbraw/zinc/15/10/33/380151033.db2.gz VORBUSHDYCGBRQ-UHFFFAOYSA-N 1 0 287.407 3.382 20 10 CGCDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1ccn(C)c1 ZINC000355125545 380586851 /nfs/dbraw/zinc/58/68/51/380586851.db2.gz QKMDVTNADFXLLK-UHFFFAOYSA-N 1 0 267.376 3.115 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)C[C@H]2CCOC2)cc1F ZINC000093839894 392241533 /nfs/dbraw/zinc/24/15/33/392241533.db2.gz PMAMKWDQFYHQCY-OAHLLOKOSA-N 1 0 294.414 3.140 20 10 CGCDRO CCOCCC[NH2+][C@H](CC)c1ccc(N(C)C)cc1 ZINC000131543427 392457591 /nfs/dbraw/zinc/45/75/91/392457591.db2.gz JISZYSIRGWEJMJ-MRXNPFEDSA-N 1 0 264.413 3.220 20 10 CGCDRO C[C@@H]([NH2+]C[C@H](O)Cc1ccccc1)c1ccc(N(C)C)cc1 ZINC000132035698 392458575 /nfs/dbraw/zinc/45/85/75/392458575.db2.gz SPNRURREEJPFEX-DNVCBOLYSA-N 1 0 298.430 3.007 20 10 CGCDRO COc1cccc(C[N@@H+]2CC[C@H](Oc3ccccc3)C2)c1O ZINC000374258027 392673178 /nfs/dbraw/zinc/67/31/78/392673178.db2.gz HUNHPRSHMDFXCH-INIZCTEOSA-N 1 0 299.370 3.054 20 10 CGCDRO C[C@@H](c1cccc(O)c1)[N@H+](C)Cc1ccccc1O ZINC000179573252 392704255 /nfs/dbraw/zinc/70/42/55/392704255.db2.gz GGBNRSVCGUCKNX-LBPRGKRZSA-N 1 0 257.333 3.291 20 10 CGCDRO CCC[N@H+](Cc1ccccc1O)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000271360995 393248572 /nfs/dbraw/zinc/24/85/72/393248572.db2.gz NFYXPLLMCGDSOJ-DJIMGWMZSA-N 1 0 289.419 3.418 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C[C@@H](C)c2ccccc2)c1 ZINC000020137561 171025052 /nfs/dbraw/zinc/02/50/52/171025052.db2.gz ORWABSABXXEAAD-CYBMUJFWSA-N 1 0 271.360 3.294 20 10 CGCDRO CC[C@H]([NH2+]C1CC1)c1cc(Br)ccc1O ZINC000022210896 171373579 /nfs/dbraw/zinc/37/35/79/171373579.db2.gz DMAAZUBPAKVORO-NSHDSACASA-N 1 0 270.170 3.358 20 10 CGCDRO Cc1c([C@H](C)[NH2+][C@H](C)c2cc(C)ccc2O)cnn1C ZINC000037167913 260072662 /nfs/dbraw/zinc/07/26/62/260072662.db2.gz IREGAHXGUKRDMV-NEPJUHHUSA-N 1 0 273.380 3.154 20 10 CGCDRO COc1cccc(C2([NH2+]Cc3ccccc3O)CC2)c1 ZINC000150884930 260974853 /nfs/dbraw/zinc/97/48/53/260974853.db2.gz DPKXWBIMHFGJHC-UHFFFAOYSA-N 1 0 269.344 3.180 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CCCC(C)(C)C2)cc1OC ZINC000160191249 261207752 /nfs/dbraw/zinc/20/77/52/261207752.db2.gz NYZTYJQGEOXLKJ-UHFFFAOYSA-N 1 0 279.380 3.031 20 10 CGCDRO CSC(C)(C)C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000168814422 261422223 /nfs/dbraw/zinc/42/22/23/261422223.db2.gz TWIQWWUDGKNNQI-VIFPVBQESA-N 1 0 257.374 3.324 20 10 CGCDRO C[C@@](O)(C[NH2+]Cc1ccccc1O)c1cccc(Cl)c1 ZINC000185110161 262041958 /nfs/dbraw/zinc/04/19/58/262041958.db2.gz NTJUPPDRFAHIFS-MRXNPFEDSA-N 1 0 291.778 3.043 20 10 CGCDRO COc1cccc(C[NH2+][C@@H]2CCCO[C@@H]2CC(C)C)c1O ZINC000185191751 262044920 /nfs/dbraw/zinc/04/49/20/262044920.db2.gz CHSVTIFKIMKNTA-GDBMZVCRSA-N 1 0 293.407 3.084 20 10 CGCDRO CC[C@@H]([NH2+][C@H]1CCC[C@H]2OCC[C@@H]21)c1ccccc1O ZINC000185213843 262046490 /nfs/dbraw/zinc/04/64/90/262046490.db2.gz LGJRFLPQKIYTMV-PNBKFKSVSA-N 1 0 275.392 3.391 20 10 CGCDRO COCCCCC[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000185233249 262046933 /nfs/dbraw/zinc/04/69/33/262046933.db2.gz WPSZRJONBMRVAJ-ZDUSSCGKSA-N 1 0 251.370 3.168 20 10 CGCDRO Cc1nccn1C[C@H](C)C[NH2+][C@H](C)c1ccc(C)cc1O ZINC000185346802 262051781 /nfs/dbraw/zinc/05/17/81/262051781.db2.gz MTEYCLOJJHGKKZ-ZIAGYGMSSA-N 1 0 287.407 3.192 20 10 CGCDRO Cc1nccn1C[C@@H](C)C[NH2+][C@H](C)c1ccc(C)cc1O ZINC000185346840 262051830 /nfs/dbraw/zinc/05/18/30/262051830.db2.gz MTEYCLOJJHGKKZ-UONOGXRCSA-N 1 0 287.407 3.192 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCC(=O)Nc2ccccc2)c(O)c1 ZINC000185443651 262054024 /nfs/dbraw/zinc/05/40/24/262054024.db2.gz PTZNCWFYGCFHHS-AWEZNQCLSA-N 1 0 298.386 3.380 20 10 CGCDRO C[C@H](O)C[C@H](C)C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000185521648 262058570 /nfs/dbraw/zinc/05/85/70/262058570.db2.gz MKIITKRAJXRFPI-IHRRRGAJSA-N 1 0 291.435 3.329 20 10 CGCDRO COC[C@@H]([NH2+][C@H](C)c1cc(Cl)ccc1O)C1CC1 ZINC000186153412 262081964 /nfs/dbraw/zinc/08/19/64/262081964.db2.gz UZNHGQPEQKZDOV-NOZJJQNGSA-N 1 0 269.772 3.121 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(C)(C)[C@H](O)C(C)C)c1 ZINC000186174758 262082877 /nfs/dbraw/zinc/08/28/77/262082877.db2.gz JYJDRRHWFYYIJS-MLGOLLRUSA-N 1 0 295.423 3.095 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCOC(C)C)cc1 ZINC000186641963 262103628 /nfs/dbraw/zinc/10/36/28/262103628.db2.gz ZGJDXOCZWLUXOO-CQSZACIVSA-N 1 0 264.413 3.218 20 10 CGCDRO CC(C)OCCCC[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000186530258 262315779 /nfs/dbraw/zinc/31/57/79/262315779.db2.gz WQGDFJGNMIBOTR-LBPRGKRZSA-N 1 0 269.360 3.387 20 10 CGCDRO C[C@H]([NH2+]CC[C@@H]1CCCCO1)c1cc(F)ccc1O ZINC000186516094 262315888 /nfs/dbraw/zinc/31/58/88/262315888.db2.gz JSWYROUATFGDMQ-AAEUAGOBSA-N 1 0 267.344 3.141 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](C)CC(C)(C)OC)cc1C ZINC000266145948 262914578 /nfs/dbraw/zinc/91/45/78/262914578.db2.gz IYAGSJLERFUEGB-ZDUSSCGKSA-N 1 0 265.397 3.297 20 10 CGCDRO CCCN(CCC)c1ccc(C[NH2+]CCCCO)cc1 ZINC000278869769 263051534 /nfs/dbraw/zinc/05/15/34/263051534.db2.gz YOPYSXUWFPMAPN-UHFFFAOYSA-N 1 0 278.440 3.175 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)c1O ZINC000367740019 267114475 /nfs/dbraw/zinc/11/44/75/267114475.db2.gz IXSLTCAQVZOLRK-QWHCGFSZSA-N 1 0 295.810 3.212 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1OCCc2ccccc21)c1ccccc1O ZINC000367769042 267116565 /nfs/dbraw/zinc/11/65/65/267116565.db2.gz MJRDVCCXPRTXPW-SCLBCKFNSA-N 1 0 283.371 3.357 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CCC23CCCCC3)c1 ZINC000368468992 267175261 /nfs/dbraw/zinc/17/52/61/267175261.db2.gz GXRMRVCULUIALG-UHFFFAOYSA-N 1 0 261.365 3.309 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000370582514 267329410 /nfs/dbraw/zinc/32/94/10/267329410.db2.gz FQJWJZKCJHEHME-OAHLLOKOSA-N 1 0 295.810 3.485 20 10 CGCDRO Cc1ccc(O)c(C[NH+]2CCC(OCC3CC3)CC2)c1 ZINC000371332809 267392229 /nfs/dbraw/zinc/39/22/29/267392229.db2.gz BAPAUCZUAWTPQM-UHFFFAOYSA-N 1 0 275.392 3.092 20 10 CGCDRO CO[C@@H]1CC[N@H+](Cc2cc(Cl)cc(C)c2O)[C@@H](C)C1 ZINC000282441354 274064502 /nfs/dbraw/zinc/06/45/02/274064502.db2.gz UMAVDZZJHBWIAP-SMDDNHRTSA-N 1 0 283.799 3.353 20 10 CGCDRO COC(C)(C)C[C@@H](C)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297890326 277177504 /nfs/dbraw/zinc/17/75/04/277177504.db2.gz VMSAJLOAVKFFQK-DGCLKSJQSA-N 1 0 263.381 3.173 20 10 CGCDRO COc1cccc(C[NH2+][C@@H]2CCCc3occc32)c1O ZINC000020204336 278012747 /nfs/dbraw/zinc/01/27/47/278012747.db2.gz KTTMDOFECMOAIR-CYBMUJFWSA-N 1 0 273.332 3.161 20 10 CGCDRO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1cccc(C)c1O ZINC000290303155 279057484 /nfs/dbraw/zinc/05/74/84/279057484.db2.gz BMFBTNLDRFLFDH-OAHLLOKOSA-N 1 0 285.391 3.378 20 10 CGCDRO C[C@@]1(C[NH2+][C@@H]2CCc3cccc(O)c32)CCCS1 ZINC000297583807 279162595 /nfs/dbraw/zinc/16/25/95/279162595.db2.gz HHDMGNBOLUXTNV-DOMZBBRYSA-N 1 0 263.406 3.255 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+][C@H]2CCOC(C)(C)C2)c1O ZINC000184710667 327913897 /nfs/dbraw/zinc/91/38/97/327913897.db2.gz QXLNIBWXIXFTHW-LBPRGKRZSA-N 1 0 299.798 3.101 20 10 CGCDRO C[C@H]([NH2+]CC1(CO)CC2(CCC2)C1)c1cc(F)ccc1O ZINC000278955581 328232125 /nfs/dbraw/zinc/23/21/25/328232125.db2.gz ZSCGSSSHZKQGCX-LBPRGKRZSA-N 1 0 293.382 3.125 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H]2CCc3cccc(O)c32)c1 ZINC000296072402 327086800 /nfs/dbraw/zinc/08/68/00/327086800.db2.gz SEBJGEIGNPLZHP-OAHLLOKOSA-N 1 0 253.345 3.478 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CN(C)Cc3ccccc32)cc1 ZINC000378269714 329044735 /nfs/dbraw/zinc/04/47/35/329044735.db2.gz IKNNPJYQASQTPP-LJQANCHMSA-N 1 0 295.430 3.029 20 10 CGCDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000378492142 329052498 /nfs/dbraw/zinc/05/24/98/329052498.db2.gz GHUSVVPWZYDVNF-NSHDSACASA-N 1 0 261.296 3.114 20 10 CGCDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186452216 329342759 /nfs/dbraw/zinc/34/27/59/329342759.db2.gz UEUJDPPXHJYEMF-GOSISDBHSA-N 1 0 299.345 3.163 20 10 CGCDRO Cc1cccc(C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)c1O ZINC000186454314 329342808 /nfs/dbraw/zinc/34/28/08/329342808.db2.gz PWZRIDOEMUGFLE-LJQANCHMSA-N 1 0 295.382 3.332 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1CCN1C1CCCC1)c1cc(F)ccc1O ZINC000528001783 330300179 /nfs/dbraw/zinc/30/01/79/330300179.db2.gz NIUYODAJXAMAFX-IUODEOHRSA-N 1 0 292.398 3.199 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1ncccc1F)c1ccccc1O ZINC000528035886 330302756 /nfs/dbraw/zinc/30/27/56/330302756.db2.gz MUWWMGQMCDNGMB-MNOVXSKESA-N 1 0 260.312 3.338 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCc3n[nH]cc3C2)cc1 ZINC000090455502 330392677 /nfs/dbraw/zinc/39/26/77/330392677.db2.gz KRTDELOLQBQXAB-CZUORRHYSA-N 1 0 298.434 3.074 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1ccccc1O ZINC000159950186 330854829 /nfs/dbraw/zinc/85/48/29/330854829.db2.gz YWPWHRMIBFNOEG-OCCSQVGLSA-N 1 0 263.381 3.391 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2cn[nH]c2)cc1 ZINC000229884665 333310714 /nfs/dbraw/zinc/31/07/14/333310714.db2.gz QKPYFBPZEKJRAV-ZDUSSCGKSA-N 1 0 272.396 3.107 20 10 CGCDRO C[C@H]1C[C@H]1c1ccc(C[NH2+]Cc2ccccc2O)o1 ZINC000134226814 334084664 /nfs/dbraw/zinc/08/46/64/334084664.db2.gz UYLNOMGFNHRNDL-SMDDNHRTSA-N 1 0 257.333 3.398 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](OC)C(C)C)c1ccccc1O ZINC000274908605 334785481 /nfs/dbraw/zinc/78/54/81/334785481.db2.gz MOSJSEDGOLERKB-DZGCQCFKSA-N 1 0 251.370 3.104 20 10 CGCDRO CCCCOCCC[NH2+][C@H](C)c1cc(F)ccc1O ZINC000168733583 517565076 /nfs/dbraw/zinc/56/50/76/517565076.db2.gz JZJPUMVNTGZYBQ-GFCCVEGCSA-N 1 0 269.360 3.389 20 10 CGCDRO CC(C)COC[C@H]([NH2+]Cc1ccccc1O)c1ccco1 ZINC000236630070 519757457 /nfs/dbraw/zinc/75/74/57/519757457.db2.gz WPUOUGLEPFUTGE-HNNXBMFYSA-N 1 0 289.375 3.489 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H](C)Cn2ccnc2)cc1 ZINC000268838710 520290100 /nfs/dbraw/zinc/29/01/00/520290100.db2.gz TWRZDVWWWKSGBW-CABCVRRESA-N 1 0 286.423 3.079 20 10 CGCDRO CC[N@H+](Cc1cc(F)ccc1O)[C@H]1CCOC(C)(C)C1 ZINC000291441151 521293082 /nfs/dbraw/zinc/29/30/82/521293082.db2.gz BWCYRUVHIQDYDV-AWEZNQCLSA-N 1 0 281.371 3.311 20 10 CGCDRO CCC[C@]1([NH2+]Cc2ccc(OC)c(C)c2)CCOC1 ZINC000285604029 521322529 /nfs/dbraw/zinc/32/25/29/521322529.db2.gz VKPHNWWEHZSVOX-INIZCTEOSA-N 1 0 263.381 3.052 20 10 CGCDRO CCOC1(C)CC[NH+](Cc2cccc(C)c2O)CC1 ZINC000292814336 521635344 /nfs/dbraw/zinc/63/53/44/521635344.db2.gz PCYZKXVDRDSNOT-UHFFFAOYSA-N 1 0 263.381 3.092 20 10 CGCDRO CCOC1CC(CC[NH2+]Cc2c(O)cccc2Cl)C1 ZINC000276655630 521644736 /nfs/dbraw/zinc/64/47/36/521644736.db2.gz IXWIYVAZKRWXGC-UHFFFAOYSA-N 1 0 283.799 3.340 20 10 CGCDRO CCC[N@H+](CCCCC(=O)OCC)Cc1ccccc1O ZINC000265845505 521652229 /nfs/dbraw/zinc/65/22/29/521652229.db2.gz XNZGCNMVQHDKNY-UHFFFAOYSA-N 1 0 293.407 3.338 20 10 CGCDRO CCCN(Cc1ccc(COC)o1)c1ccc(C[NH3+])cc1 ZINC000278424366 521683656 /nfs/dbraw/zinc/68/36/56/521683656.db2.gz SACGLLUEYBEYIY-UHFFFAOYSA-N 1 0 288.391 3.301 20 10 CGCDRO CO[C@]1(C)CCC[N@H+](Cc2ccc(N(C)C)cc2)CC1 ZINC000280189143 521751101 /nfs/dbraw/zinc/75/11/01/521751101.db2.gz HHTSUGHVLSRUQV-QGZVFWFLSA-N 1 0 276.424 3.144 20 10 CGCDRO CC[C@@H](C[NH2+][C@@H](C)c1ccc(C)c(C)c1O)OC ZINC000290240115 522550368 /nfs/dbraw/zinc/55/03/68/522550368.db2.gz SMKRUACITVIJLZ-STQMWFEESA-N 1 0 251.370 3.085 20 10 CGCDRO CC[C@H]([NH2+]CCc1ccccn1)c1ccc(C)cc1O ZINC000280003261 522603192 /nfs/dbraw/zinc/60/31/92/522603192.db2.gz GBZIFLUPOLDOHK-INIZCTEOSA-N 1 0 270.376 3.379 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)CCOC)c1ccc(C)cc1O ZINC000279947461 522688669 /nfs/dbraw/zinc/68/86/69/522688669.db2.gz BMSGTVOMVXSKES-JSGCOSHPSA-N 1 0 251.370 3.166 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)Cn1ccnc1)c1ccc(C)cc1O ZINC000280075727 522735862 /nfs/dbraw/zinc/73/58/62/522735862.db2.gz LJYDGWJLKYHCHY-HIFRSBDPSA-N 1 0 273.380 3.027 20 10 CGCDRO CC[C@@H]([NH2+]CC1CCOCC1)c1ccc(C)cc1O ZINC000280126107 522823542 /nfs/dbraw/zinc/82/35/42/522823542.db2.gz OPRHTEWJHVBEQS-OAHLLOKOSA-N 1 0 263.381 3.168 20 10 CGCDRO CC[C@@H]([NH2+]CCCn1cccn1)c1ccc(N(C)C)cc1 ZINC000127062302 522834216 /nfs/dbraw/zinc/83/42/16/522834216.db2.gz FCOXTEDOSOIQAD-QGZVFWFLSA-N 1 0 286.423 3.080 20 10 CGCDRO COCC1(CC[NH2+]Cc2ccc(OC)c(C)c2)CCC1 ZINC000293051126 522864289 /nfs/dbraw/zinc/86/42/89/522864289.db2.gz TXFVHVAPDLKJIU-UHFFFAOYSA-N 1 0 277.408 3.300 20 10 CGCDRO COCc1ccccc1C[NH2+]Cc1c(O)cccc1Cl ZINC000083551665 523102740 /nfs/dbraw/zinc/10/27/40/523102740.db2.gz SXLQIBUTKOSMOK-UHFFFAOYSA-N 1 0 291.778 3.482 20 10 CGCDRO COc1ccc(C[NH2+]CCCC(F)(F)F)cc1C ZINC000097988947 524069832 /nfs/dbraw/zinc/06/98/32/524069832.db2.gz PFAMFKNPLKDMRC-UHFFFAOYSA-N 1 0 261.287 3.436 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@H]2CC[C@H](CO)CC2)c(O)c1 ZINC000297666325 524335319 /nfs/dbraw/zinc/33/53/19/524335319.db2.gz KURUMWXPZUDYRC-KKUMJFAQSA-N 1 0 277.408 3.211 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@H]2C[C@H](c3ccccc3)C2)c1 ZINC000280818500 524756706 /nfs/dbraw/zinc/75/67/06/524756706.db2.gz VCZMLWYWMNGAEB-KOMQPUFPSA-N 1 0 283.371 3.437 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1COc2ccccc21)c1cc(F)ccc1O ZINC000290286718 525489085 /nfs/dbraw/zinc/48/90/85/525489085.db2.gz MNARDBJLVOCTKW-VXGBXAGGSA-N 1 0 287.334 3.358 20 10 CGCDRO CSC[C@@H]1CCC[N@H+](Cc2cccc(C)c2O)C1 ZINC000292679923 525651179 /nfs/dbraw/zinc/65/11/79/525651179.db2.gz AOOBSEOJBSHXLU-CYBMUJFWSA-N 1 0 265.422 3.276 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C2CC(F)(F)C2)c(O)c1C ZINC000277089203 525722933 /nfs/dbraw/zinc/72/29/33/525722933.db2.gz KLHOXGZRCZQXSV-SNVBAGLBSA-N 1 0 255.308 3.457 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H](CO)c2ccccc2)c(O)c1 ZINC000062999643 525749825 /nfs/dbraw/zinc/74/98/25/525749825.db2.gz PLLPJKWUUZMNCC-CZUORRHYSA-N 1 0 271.360 3.085 20 10 CGCDRO Cc1ccc2nc(C[NH2+]Cc3cc(C)c(C)cc3O)cn2c1 ZINC000266188048 526249173 /nfs/dbraw/zinc/24/91/73/526249173.db2.gz HWIJFFXLKPCRNV-UHFFFAOYSA-N 1 0 295.386 3.255 20 10 CGCDRO Oc1ccccc1C[NH2+]CCc1cccc(C(F)(F)F)n1 ZINC000293101595 526372347 /nfs/dbraw/zinc/37/23/47/526372347.db2.gz XUYCMFJWVYTHTO-UHFFFAOYSA-N 1 0 296.292 3.138 20 10 CGCDRO FC(F)(F)CCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000097988716 527665164 /nfs/dbraw/zinc/66/51/64/527665164.db2.gz MQFYJPBKKGPJST-UHFFFAOYSA-N 1 0 259.271 3.054 20 10 CGCDRO CCc1cc(C[N@H+](C)[C@H]2CCOC2)c(O)c(C(C)(C)C)c1 ZINC000730260317 572333854 /nfs/dbraw/zinc/33/38/54/572333854.db2.gz OSKRMJFNMAJBMV-HNNXBMFYSA-N 1 0 291.435 3.473 20 10 CGCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]Cc1ncc[nH]1 ZINC000741160281 572486080 /nfs/dbraw/zinc/48/60/80/572486080.db2.gz OBMPIOARWRRQLX-UHFFFAOYSA-N 1 0 279.343 3.072 20 10 CGCDRO CCN(C)c1ccc(C[N@H+](C)C[C@H]2CCCCO2)cc1 ZINC000741754612 572523161 /nfs/dbraw/zinc/52/31/61/572523161.db2.gz SUHFEFHHBQLCRT-QGZVFWFLSA-N 1 0 276.424 3.144 20 10 CGCDRO C[C@@H](O)c1ccc(C[NH2+]Cc2c(O)cccc2Cl)cc1 ZINC000733325662 572556203 /nfs/dbraw/zinc/55/62/03/572556203.db2.gz RWHHVEXSSRPTML-LLVKDONJSA-N 1 0 291.778 3.389 20 10 CGCDRO COc1ccc2[nH]cc(CC[NH2+]Cc3ccccc3O)c2c1 ZINC000733327965 572556612 /nfs/dbraw/zinc/55/66/12/572556612.db2.gz NRIZFLCDOCBOGZ-UHFFFAOYSA-N 1 0 296.370 3.214 20 10 CGCDRO CC[C@H]1CCCCN1CC[NH2+]Cc1c(O)cccc1Cl ZINC000733330300 572557387 /nfs/dbraw/zinc/55/73/87/572557387.db2.gz SBUDQOWXXJMBDH-ZDUSSCGKSA-N 1 0 296.842 3.400 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H](C)Cc2ccco2)cc1C ZINC000742366667 572566876 /nfs/dbraw/zinc/56/68/76/572566876.db2.gz OUBBQBDDEUXCCU-ZDUSSCGKSA-N 1 0 259.349 3.323 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)cc1C ZINC000742376758 572570371 /nfs/dbraw/zinc/57/03/71/572570371.db2.gz GEZFFLCZPMBJLT-UAGQMJEPSA-N 1 0 289.419 3.297 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)cc1C ZINC000742376756 572570447 /nfs/dbraw/zinc/57/04/47/572570447.db2.gz GEZFFLCZPMBJLT-DJIMGWMZSA-N 1 0 289.419 3.297 20 10 CGCDRO COc1ccccc1/C=C\C[NH2+]Cc1cccc(OC)c1O ZINC000733901030 572611481 /nfs/dbraw/zinc/61/14/81/572611481.db2.gz ZTCLDAVIXPRFKX-TWGQIWQCSA-N 1 0 299.370 3.212 20 10 CGCDRO CN(CCC[NH+](C)C)Cc1ccc(N2CCCCC2)cc1 ZINC000734843509 572687071 /nfs/dbraw/zinc/68/70/71/572687071.db2.gz MHPNCOCUSCQJDM-UHFFFAOYSA-N 1 0 289.467 3.060 20 10 CGCDRO CCCCC[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000735492394 572726048 /nfs/dbraw/zinc/72/60/48/572726048.db2.gz XHXCDVZHLFYECY-UHFFFAOYSA-N 1 0 276.424 3.398 20 10 CGCDRO Cn1cc([C@H]([NH2+]Cc2ccc3c(c2)CCO3)C(C)(C)C)cn1 ZINC000748246868 572970353 /nfs/dbraw/zinc/97/03/53/572970353.db2.gz QKRWVMBLLCTLDZ-KRWDZBQOSA-N 1 0 299.418 3.232 20 10 CGCDRO CCC(CC)(CC(=O)OC)[NH2+]Cc1ccc(OC)c(C)c1 ZINC000749287487 572991674 /nfs/dbraw/zinc/99/16/74/572991674.db2.gz JILZIZDQPKXACF-UHFFFAOYSA-N 1 0 293.407 3.215 20 10 CGCDRO CC[C@@H]1CCC[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000068592306 617907259 /nfs/dbraw/zinc/90/72/59/617907259.db2.gz PAMMTSNZZUOXNB-YPMHNXCESA-N 1 0 277.364 3.179 20 10 CGCDRO COc1ccc(CC[NH2+]Cc2c(O)cccc2Cl)cc1 ZINC000083551166 618009870 /nfs/dbraw/zinc/00/98/70/618009870.db2.gz RPNLPIRCUFIYFV-UHFFFAOYSA-N 1 0 291.778 3.387 20 10 CGCDRO Cc1cc(C[N@H+](C)C[C@H]2CCOC2)c(O)c(C(C)(C)C)c1 ZINC000176088419 618329768 /nfs/dbraw/zinc/32/97/68/618329768.db2.gz MTALIVNQPFGAFV-CQSZACIVSA-N 1 0 291.435 3.466 20 10 CGCDRO Cc1cc(C[NH2+]Cc2ccc(N(C)C)cc2)ccc1F ZINC000049943361 618645167 /nfs/dbraw/zinc/64/51/67/618645167.db2.gz KOPJRBHWILYPTF-UHFFFAOYSA-N 1 0 272.367 3.490 20 10 CGCDRO C[N@H+](Cc1ccco1)Cc1cc(Br)ccc1O ZINC000162131972 618740013 /nfs/dbraw/zinc/74/00/13/618740013.db2.gz ICFGTVSPDCAZFO-UHFFFAOYSA-N 1 0 296.164 3.380 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCN2CCC[C@H](C)C2)c1 ZINC000185028318 625291036 /nfs/dbraw/zinc/29/10/36/625291036.db2.gz BZLMPHRNKRAVFK-GJZGRUSLSA-N 1 0 276.424 3.083 20 10 CGCDRO CC[C@H]([NH2+]C[C@]1(C)CCCO1)c1ccc(N(C)C)cc1 ZINC000167059208 618798840 /nfs/dbraw/zinc/79/88/40/618798840.db2.gz JHQYMKJILPFSNM-IRXDYDNUSA-N 1 0 276.424 3.362 20 10 CGCDRO Cc1cccc(C[NH2+]Cc2cccnc2OC(C)C)c1O ZINC000158063388 618802524 /nfs/dbraw/zinc/80/25/24/618802524.db2.gz QHWCGIQRIZANLQ-UHFFFAOYSA-N 1 0 286.375 3.173 20 10 CGCDRO Cc1cc(O)c(C[NH2+]Cc2cccc(C)n2)c(Cl)c1 ZINC000840879639 618805527 /nfs/dbraw/zinc/80/55/27/618805527.db2.gz FPALRXRHGHVOMF-UHFFFAOYSA-N 1 0 276.767 3.347 20 10 CGCDRO Cc1c(C[NH2+]Cc2cc(F)ccc2O)cccc1[N+](=O)[O-] ZINC000235816504 618827951 /nfs/dbraw/zinc/82/79/51/618827951.db2.gz UFNVYRWHMAATPT-UHFFFAOYSA-N 1 0 290.294 3.038 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]CCCC(F)(F)F)CC2 ZINC000310830718 618871534 /nfs/dbraw/zinc/87/15/34/618871534.db2.gz IYBRRLPDJNHBIO-SNVBAGLBSA-N 1 0 259.271 3.312 20 10 CGCDRO COC1([C@H](C)[NH2+][C@@H](C)c2cc(C)ccc2O)CCC1 ZINC000840884937 618877068 /nfs/dbraw/zinc/87/70/68/618877068.db2.gz RQUPEIZLUUOZGI-STQMWFEESA-N 1 0 263.381 3.309 20 10 CGCDRO CO[C@H](C)C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000182333820 619035478 /nfs/dbraw/zinc/03/54/78/619035478.db2.gz PWVVEHZSUAQLJW-CYBMUJFWSA-N 1 0 275.348 3.022 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)[C@@H]2CCCO2)cc1 ZINC000020208502 619141888 /nfs/dbraw/zinc/14/18/88/619141888.db2.gz ZMOOJRQWBDERIM-YOEHRIQHSA-N 1 0 276.424 3.190 20 10 CGCDRO C[C@@H]1CC[C@H]([NH2+]Cc2cc(F)ccc2O)[C@@H](C)C1 ZINC000226609229 619277248 /nfs/dbraw/zinc/27/72/48/619277248.db2.gz HCIGBXYYUCDEAD-SUNKGSAMSA-N 1 0 251.345 3.446 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2C[C@H](C)O[C@H]2C)c(Cl)c1 ZINC000840965061 619285053 /nfs/dbraw/zinc/28/50/53/619285053.db2.gz ZZBODYBJLSCWSL-SRVKXCTJSA-N 1 0 283.799 3.257 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2C[C@@H](C)O[C@H]2C)c(Cl)c1 ZINC000840965068 619285085 /nfs/dbraw/zinc/28/50/85/619285085.db2.gz ZZBODYBJLSCWSL-WOPDTQHZSA-N 1 0 283.799 3.257 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1ccc2c(c1)OCO2 ZINC000319272004 619291296 /nfs/dbraw/zinc/29/12/96/619291296.db2.gz RJSIFDXPNRJWBA-BXUZGUMPSA-N 1 0 297.354 3.459 20 10 CGCDRO CC[N@H+](Cc1occc1C)Cc1cc2c(cc1O)OCO2 ZINC000840969675 619294308 /nfs/dbraw/zinc/29/43/08/619294308.db2.gz IIEYEZMABCAFJF-UHFFFAOYSA-N 1 0 289.331 3.044 20 10 CGCDRO CCCCO[C@H]1C[C@H]([NH2+]Cc2ccccc2O)C1(C)C ZINC000236866451 619295381 /nfs/dbraw/zinc/29/53/81/619295381.db2.gz XZQPNOPAPVMUNN-HOTGVXAUSA-N 1 0 277.408 3.466 20 10 CGCDRO C[N@@H+](Cc1cc(Br)cc(F)c1[O-])CC1CC1 ZINC000893966371 619341068 /nfs/dbraw/zinc/34/10/68/619341068.db2.gz PQPCYOVNWONQLH-UHFFFAOYSA-N 1 0 288.160 3.136 20 10 CGCDRO CC[C@H](C)[C@@](C)(O)C[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC000236981663 619381056 /nfs/dbraw/zinc/38/10/56/619381056.db2.gz LIZQUQRAHOYZGC-YJBOKZPZSA-N 1 0 292.467 3.420 20 10 CGCDRO COc1ccc(C[NH2+]C2C[C@@H]3CCC[C@H]3C2)c(O)c1 ZINC000894184719 619408026 /nfs/dbraw/zinc/40/80/26/619408026.db2.gz DTDYSKYGCYIASG-RYUDHWBXSA-N 1 0 261.365 3.069 20 10 CGCDRO COc1cc(C)cc(CNc2cc(C)cc(C)[nH+]2)c1O ZINC000894358093 619502927 /nfs/dbraw/zinc/50/29/27/619502927.db2.gz BQBIFXPOZHIPFJ-UHFFFAOYSA-N 1 0 272.348 3.333 20 10 CGCDRO COc1cccc(C[NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)c1O ZINC000894457825 619544047 /nfs/dbraw/zinc/54/40/47/619544047.db2.gz IQSIMMFSTONFQO-DABQJJPHSA-N 1 0 261.365 3.069 20 10 CGCDRO COc1cc(C)cc(CNc2ccc3c([nH+]2)CCC3)c1O ZINC000894918872 619683175 /nfs/dbraw/zinc/68/31/75/619683175.db2.gz XNIJVEJJFMHHQS-UHFFFAOYSA-N 1 0 284.359 3.205 20 10 CGCDRO CCc1c[nH]c2ncnc(N[C@@H](C)c3ccccc3O)c12 ZINC000895029298 619698935 /nfs/dbraw/zinc/69/89/35/619698935.db2.gz OHVSMBIBMUQCKC-JTQLQIEISA-N 1 0 282.347 3.399 20 10 CGCDRO CCOC1(C)CC[NH+](Cc2cc(C)cc(OC)c2O)CC1 ZINC000793544720 619731050 /nfs/dbraw/zinc/73/10/50/619731050.db2.gz ABIDHYMMCVDEFR-UHFFFAOYSA-N 1 0 293.407 3.100 20 10 CGCDRO CC[C@H]([NH2+][C@H](COC)C(C)C)c1ccc(C)cc1O ZINC000794805621 619774825 /nfs/dbraw/zinc/77/48/25/619774825.db2.gz XXBXKVWWVTVWCK-LSDHHAIUSA-N 1 0 265.397 3.412 20 10 CGCDRO COc1ccc(O)c(C[NH2+]CC[C@H]2CCCC2(F)F)c1 ZINC000895544528 619846993 /nfs/dbraw/zinc/84/69/93/619846993.db2.gz LBRRDQLTSYALHT-GFCCVEGCSA-N 1 0 285.334 3.316 20 10 CGCDRO Oc1cccc(Cl)c1C[N@@H+]1CC[C@H](c2nccs2)C1 ZINC000895581600 619856122 /nfs/dbraw/zinc/85/61/22/619856122.db2.gz CDQDQCLULGNUAX-JTQLQIEISA-N 1 0 294.807 3.492 20 10 CGCDRO CCc1cccc(C[NH2+]C2CCC3(COC3)CC2)c1O ZINC000895693762 619871789 /nfs/dbraw/zinc/87/17/89/619871789.db2.gz BVUSRZJXMAXAQR-UHFFFAOYSA-N 1 0 275.392 3.003 20 10 CGCDRO CCC(C)(C)CC[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000895740737 619878616 /nfs/dbraw/zinc/87/86/16/619878616.db2.gz QWJBNLGDXPKFJL-UHFFFAOYSA-N 1 0 281.396 3.325 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCO[C@H]2C2CC2)cc1Cl ZINC000896410143 620002985 /nfs/dbraw/zinc/00/29/85/620002985.db2.gz YHQPVEVNMXBJHC-HIFRSBDPSA-N 1 0 281.783 3.011 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCS[C@H](C(F)(F)F)C2)c1O ZINC000896455957 620011645 /nfs/dbraw/zinc/01/16/45/620011645.db2.gz LYYOLUPRXPGZLL-NSHDSACASA-N 1 0 291.338 3.180 20 10 CGCDRO COc1ccc(C[NH2+][C@H](C)c2c(C)noc2C)cc1C ZINC000073007531 625407587 /nfs/dbraw/zinc/40/75/87/625407587.db2.gz XCROHWFFRDHTJP-LLVKDONJSA-N 1 0 274.364 3.459 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](CC(C)C)OC)c1 ZINC000841756060 620401406 /nfs/dbraw/zinc/40/14/06/620401406.db2.gz PNCQMUSCWBXAFG-GXTWGEPZSA-N 1 0 281.396 3.113 20 10 CGCDRO CO[C@H](C[NH2+][C@H](C)c1ccc(Cl)cc1O)C1CC1 ZINC000841759557 620406216 /nfs/dbraw/zinc/40/62/16/620406216.db2.gz ZTZLCDHFRGOQBM-YMTOWFKASA-N 1 0 269.772 3.121 20 10 CGCDRO C[C@H]([NH2+][C@H]1C[C@@](C)(O)C1)c1ccc2ccccc2c1O ZINC000841760026 620406610 /nfs/dbraw/zinc/40/66/10/620406610.db2.gz RJMLEGONJOAMOC-PLQHRBFRSA-N 1 0 271.360 3.109 20 10 CGCDRO C[C@@H]([NH2+][C@H](CO)CC1CCCCC1)c1ccccc1O ZINC000841762988 620407948 /nfs/dbraw/zinc/40/79/48/620407948.db2.gz SQNVZPMRSHTMOJ-HIFRSBDPSA-N 1 0 277.408 3.374 20 10 CGCDRO CC1(C)C[C@H]([NH2+]Cc2ccccc2O)CCS1 ZINC000897799140 620434174 /nfs/dbraw/zinc/43/41/74/620434174.db2.gz CMBYDZZILVFXEE-GFCCVEGCSA-N 1 0 251.395 3.156 20 10 CGCDRO CCCCC1([NH2+]Cc2cc(OC)c(OC)cc2O)CC1 ZINC000897935795 620452429 /nfs/dbraw/zinc/45/24/29/620452429.db2.gz HPUIFGOFECXKDP-UHFFFAOYSA-N 1 0 279.380 3.222 20 10 CGCDRO OCCC1CC([NH2+]Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000898008375 620460504 /nfs/dbraw/zinc/46/05/04/620460504.db2.gz ONONPOGKDHJYRZ-UHFFFAOYSA-N 1 0 297.398 3.310 20 10 CGCDRO CC[C@@H]([NH2+]C[C@]12C[C@H]1COC21CCC1)c1ccccc1O ZINC000898065445 620473783 /nfs/dbraw/zinc/47/37/83/620473783.db2.gz VSFKAWMWGKDSOY-YSVLISHTSA-N 1 0 287.403 3.392 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCOC23CCCC3)cc1F ZINC000898112130 620479156 /nfs/dbraw/zinc/47/91/56/620479156.db2.gz KOFHPJBRUYQBTG-MRXNPFEDSA-N 1 0 292.398 3.083 20 10 CGCDRO CC[C@H]([NH2+]CCc1cccnc1C)c1ccccc1O ZINC000898251593 620497796 /nfs/dbraw/zinc/49/77/96/620497796.db2.gz FLMAWPILZJZSAD-INIZCTEOSA-N 1 0 270.376 3.379 20 10 CGCDRO COC[C@H](C[NH2+][C@H](C)c1ccc(C)cc1O)C(C)C ZINC000927097321 620575547 /nfs/dbraw/zinc/57/55/47/620575547.db2.gz UOCOYVLZLDCMCT-KGLIPLIRSA-N 1 0 265.397 3.270 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCCC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000898516246 620595287 /nfs/dbraw/zinc/59/52/87/620595287.db2.gz ORSVBLZAYWFRDF-JKSUJKDBSA-N 1 0 289.419 3.339 20 10 CGCDRO CC[C@H]([NH2+]CC1([NH3+])CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000902407181 621293023 /nfs/dbraw/zinc/29/30/23/621293023.db2.gz PZJAOZTYWTVRIZ-NSHDSACASA-N 1 0 289.206 3.231 20 10 CGCDRO C[C@@H](NCC1([NH3+])CC1)c1ccc(N2CCCCCC2)cc1 ZINC000902417533 621309552 /nfs/dbraw/zinc/30/95/52/621309552.db2.gz SEUCULHVPQZANC-OAHLLOKOSA-N 1 0 287.451 3.209 20 10 CGCDRO CNc1ccccc1C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000902614978 621386169 /nfs/dbraw/zinc/38/61/69/621386169.db2.gz WGPMLIXDPWACRN-LBPRGKRZSA-N 1 0 286.375 3.293 20 10 CGCDRO C[C@H]([NH2+]Cc1ccccc1O)[C@@H]1COc2ccccc2C1 ZINC000902786367 621445885 /nfs/dbraw/zinc/44/58/85/621445885.db2.gz NDLMGQIUUUNSTD-BBRMVZONSA-N 1 0 283.371 3.122 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]Cc1cnn(CC3CCC3)c1)CC2 ZINC000903240808 621635850 /nfs/dbraw/zinc/63/58/50/621635850.db2.gz XXPVYOZWZZLCST-INIZCTEOSA-N 1 0 297.402 3.166 20 10 CGCDRO C[C@@H]([NH2+]CC[C@@H]1CCCC[C@@H]1O)c1cc(F)ccc1O ZINC000903266500 621652744 /nfs/dbraw/zinc/65/27/44/621652744.db2.gz ZVSQJQPDGTWOFZ-XUJVJEKNSA-N 1 0 281.371 3.123 20 10 CGCDRO C[C@H]([NH2+]C1CC2(C1)CO[C@@H](C)C2)c1cc(F)ccc1O ZINC000903281137 621661084 /nfs/dbraw/zinc/66/10/84/621661084.db2.gz FLAXPTZCTXOWKV-BSROQFBASA-N 1 0 279.355 3.140 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+][C@H](C)c2cncs2)c1O ZINC000903310493 621682821 /nfs/dbraw/zinc/68/28/21/621682821.db2.gz JWYYBDYZDGMCFA-NXEZZACHSA-N 1 0 278.377 3.269 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@]23C[C@H]2COC32CCC2)c1 ZINC000903364189 621715669 /nfs/dbraw/zinc/71/56/69/621715669.db2.gz VMDWOYAHAOJAGH-JKIFEVAISA-N 1 0 287.403 3.310 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2Cc3ccccc3[C@H]2O)c(O)c1 ZINC000903441186 621750033 /nfs/dbraw/zinc/75/00/33/621750033.db2.gz YRCWWZITMZOFDK-XHBKTUGNSA-N 1 0 283.371 3.010 20 10 CGCDRO CCCCC[C@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000042879798 621889408 /nfs/dbraw/zinc/88/94/08/621889408.db2.gz WDAKXZRFNZOABM-NSHDSACASA-N 1 0 265.353 3.179 20 10 CGCDRO CCC[NH+](CCC)Cc1cc(C)cc(OC)c1O ZINC000163816956 622801890 /nfs/dbraw/zinc/80/18/90/622801890.db2.gz GXJDMTHQBXNDDT-UHFFFAOYSA-N 1 0 251.370 3.331 20 10 CGCDRO Oc1ccc(Br)cc1C[NH2+]CCC(F)(F)F ZINC000164948720 622851754 /nfs/dbraw/zinc/85/17/54/622851754.db2.gz ULYRMEXDYYTBOA-UHFFFAOYSA-N 1 0 298.102 3.197 20 10 CGCDRO CCN(CC)C[C@H](C)[NH2+][C@H](C)c1cc(C)ccc1O ZINC000045692103 622887059 /nfs/dbraw/zinc/88/70/59/622887059.db2.gz QTCTYFZRBRZXDZ-UONOGXRCSA-N 1 0 264.413 3.082 20 10 CGCDRO CC1(C)C[NH+](Cc2c(O)cccc2Cl)CC(C)(C)O1 ZINC000226455341 622972297 /nfs/dbraw/zinc/97/22/97/622972297.db2.gz QNMBMRXELQCMTI-UHFFFAOYSA-N 1 0 283.799 3.435 20 10 CGCDRO C[C@H]1CC([NH2+]Cc2cc(F)ccc2O)C[C@H](C)C1 ZINC000226610394 622986576 /nfs/dbraw/zinc/98/65/76/622986576.db2.gz RTQGGZRLYHXBQT-GHMZBOCLSA-N 1 0 251.345 3.446 20 10 CGCDRO Cc1cccc(C[NH+]2CCc3ccccc3CC2)c1O ZINC000158033413 622994609 /nfs/dbraw/zinc/99/46/09/622994609.db2.gz IRILSIGONRVSQN-UHFFFAOYSA-N 1 0 267.372 3.301 20 10 CGCDRO COc1ccc(C[NH2+][C@](C)(CO)c2ccccc2)cc1C ZINC000227212355 623012802 /nfs/dbraw/zinc/01/28/02/623012802.db2.gz OTSLYIMCBMUYGO-GOSISDBHSA-N 1 0 285.387 3.001 20 10 CGCDRO Oc1ccccc1C[N@H+](C[C@H]1CCCO1)[C@H]1C=CCCC1 ZINC000171922978 623200533 /nfs/dbraw/zinc/20/05/33/623200533.db2.gz ZYGGNXSBADFOOT-DLBZAZTESA-N 1 0 287.403 3.482 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CC2(O)CCCCCC2)cc1C ZINC000174406777 623390730 /nfs/dbraw/zinc/39/07/30/623390730.db2.gz GZOUAMCUCYYQNA-UHFFFAOYSA-N 1 0 277.408 3.184 20 10 CGCDRO CC[C@@H]([NH2+][C@H](C)CN(C)C(C)C)c1ccccc1O ZINC000311703093 623461076 /nfs/dbraw/zinc/46/10/76/623461076.db2.gz MMNZGLQXMBKPRM-UKRRQHHQSA-N 1 0 264.413 3.162 20 10 CGCDRO CCOc1cccc(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)c1O ZINC000093441972 623670513 /nfs/dbraw/zinc/67/05/13/623670513.db2.gz MTVXJCHXLKEJHQ-OKILXGFUSA-N 1 0 275.392 3.413 20 10 CGCDRO c1cc(C[NH2+][C@@H](C2CC2)C2CCC2)cc2c1OCC2 ZINC000324704863 624222309 /nfs/dbraw/zinc/22/23/09/624222309.db2.gz VFSWNJJVGAVKLZ-QGZVFWFLSA-N 1 0 257.377 3.290 20 10 CGCDRO Cc1ncc(C[N@@H+](C)Cc2cccc(C)c2O)s1 ZINC000179790382 624684715 /nfs/dbraw/zinc/68/47/15/624684715.db2.gz ILHVNBDAZVTAKL-UHFFFAOYSA-N 1 0 262.378 3.098 20 10 CGCDRO C[N@H+](Cc1ccc(F)c(F)c1)Cc1cc(F)ccc1O ZINC000179927837 624699385 /nfs/dbraw/zinc/69/93/85/624699385.db2.gz DAKHULOGPVXCOD-UHFFFAOYSA-N 1 0 281.277 3.442 20 10 CGCDRO CC(C)[C@@H]1C[N@H+](Cc2cc(F)ccc2O)CCS1 ZINC000180250302 624730564 /nfs/dbraw/zinc/73/05/64/624730564.db2.gz OPLBYPUSRIAGBS-AWEZNQCLSA-N 1 0 269.385 3.105 20 10 CGCDRO CC[C@H]1CCC[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000068592309 624737409 /nfs/dbraw/zinc/73/74/09/624737409.db2.gz PAMMTSNZZUOXNB-AAEUAGOBSA-N 1 0 277.364 3.179 20 10 CGCDRO COc1cccc2c1CC[N@H+](Cc1cc(C)ccc1O)C2 ZINC000180785958 624774042 /nfs/dbraw/zinc/77/40/42/624774042.db2.gz WSQIWEVADRNGBL-UHFFFAOYSA-N 1 0 283.371 3.268 20 10 CGCDRO CC[C@@H](C)[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000181116304 624809918 /nfs/dbraw/zinc/80/99/18/624809918.db2.gz SLSKABZNNCWZPX-CQSZACIVSA-N 1 0 262.397 3.006 20 10 CGCDRO C[C@@H]([NH2+]CCCSc1nccs1)[C@H]1CC1(F)F ZINC000877061717 634967705 /nfs/dbraw/zinc/96/77/05/634967705.db2.gz QWWGFINKRHSTOJ-RKDXNWHRSA-N 1 0 278.393 3.259 20 10 CGCDRO CCc1ccc([C@H](COC)[NH2+]Cc2cccc(C)c2O)o1 ZINC000182223924 624960153 /nfs/dbraw/zinc/96/01/53/624960153.db2.gz SFLCODHZHUIBPQ-HNNXBMFYSA-N 1 0 289.375 3.333 20 10 CGCDRO CC[N@H+](C)Cc1ccc(OCc2ccccc2)cc1O ZINC000182977546 625038839 /nfs/dbraw/zinc/03/88/39/625038839.db2.gz AJPCQQOHCLOJMK-UHFFFAOYSA-N 1 0 271.360 3.423 20 10 CGCDRO CC[C@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccccc1O ZINC000183331019 625063282 /nfs/dbraw/zinc/06/32/82/625063282.db2.gz JVZLDIIEECOADD-KRWDZBQOSA-N 1 0 296.370 3.384 20 10 CGCDRO CCC(CC)(C[NH2+][C@@H](C)c1cc(C)ccc1O)C(=O)OC ZINC000183876638 625161365 /nfs/dbraw/zinc/16/13/65/625161365.db2.gz ALBYGJWQHPMPOS-ZDUSSCGKSA-N 1 0 293.407 3.331 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCc2ccc3c(c2)OCO3)c(O)c1 ZINC000184896892 625278817 /nfs/dbraw/zinc/27/88/17/625278817.db2.gz UGHMVVAOPCVWOM-CYBMUJFWSA-N 1 0 299.370 3.323 20 10 CGCDRO COC(C)(C)C[C@@H](C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921784082 625874609 /nfs/dbraw/zinc/87/46/09/625874609.db2.gz MPPYJBCWBSYUED-CYBMUJFWSA-N 1 0 277.408 3.305 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CCS[C@H](C)C2)cc1C ZINC000922844778 626058131 /nfs/dbraw/zinc/05/81/31/626058131.db2.gz ZGRSWHVQHHFYMF-TZMCWYRMSA-N 1 0 265.422 3.377 20 10 CGCDRO C[C@H](C[NH2+][C@@H](C)c1ccccc1O)c1nccs1 ZINC000186738175 626072072 /nfs/dbraw/zinc/07/20/72/626072072.db2.gz AMKRKJSHYXKEJE-MNOVXSKESA-N 1 0 262.378 3.303 20 10 CGCDRO CC(C)O[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000839147561 626317052 /nfs/dbraw/zinc/31/70/52/626317052.db2.gz NASUEGLDKFRULA-BETUJISGSA-N 1 0 269.772 3.091 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2C[C@@H](OC(C)C)C2)c1 ZINC000839147585 626317542 /nfs/dbraw/zinc/31/75/42/626317542.db2.gz NWWCUTUMDFLPHP-SGMGOOAPSA-N 1 0 279.380 3.007 20 10 CGCDRO Cc1ccc(O)c(C[NH+]2CC(Cc3ccccc3)C2)c1 ZINC000839129165 626321312 /nfs/dbraw/zinc/32/13/12/626321312.db2.gz XLYMWMYSZGRCRE-UHFFFAOYSA-N 1 0 267.372 3.375 20 10 CGCDRO CCOC[C@H]1CCCC[N@@H+]1Cc1cc(C)c(C)cc1O ZINC000839168425 626324619 /nfs/dbraw/zinc/32/46/19/626324619.db2.gz ANGIGARJYIWBFE-MRXNPFEDSA-N 1 0 277.408 3.400 20 10 CGCDRO CO[C@H]1C[C@@H]([NH2+]Cc2cc(C)c(C)cc2O)C12CCC2 ZINC000839180505 626326258 /nfs/dbraw/zinc/32/62/58/626326258.db2.gz DOZJHOFEBWHOTK-CVEARBPZSA-N 1 0 275.392 3.056 20 10 CGCDRO CC[N@H+](CCOC)Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000754722080 626584465 /nfs/dbraw/zinc/58/44/65/626584465.db2.gz BNMMNUFJJIQMOI-UHFFFAOYSA-N 1 0 295.423 3.167 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@H](C)CC2)c1O ZINC000754719707 626584701 /nfs/dbraw/zinc/58/47/01/626584701.db2.gz HHPOWDJNTVABRS-LBPRGKRZSA-N 1 0 263.381 3.331 20 10 CGCDRO C[C@H]1CC[N@H+](Cc2c(O)ccc3ccncc32)CCS1 ZINC000754882377 626592447 /nfs/dbraw/zinc/59/24/47/626592447.db2.gz LLQCTAJSQXJOGL-LBPRGKRZSA-N 1 0 288.416 3.268 20 10 CGCDRO C[C@H]1CC[N@H+](Cc2ccc(N(C)C)c(F)c2)CCS1 ZINC000756146165 626681040 /nfs/dbraw/zinc/68/10/40/626681040.db2.gz HAQKGYBVYHPGHD-LBPRGKRZSA-N 1 0 282.428 3.219 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2ccc(N(C)C)c(F)c2)CCS1 ZINC000756146164 626681288 /nfs/dbraw/zinc/68/12/88/626681288.db2.gz HAQKGYBVYHPGHD-GFCCVEGCSA-N 1 0 282.428 3.219 20 10 CGCDRO COCCCC[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756419355 626704676 /nfs/dbraw/zinc/70/46/76/626704676.db2.gz FBJLPHMHETXVRO-ZYHUDNBSSA-N 1 0 267.344 3.096 20 10 CGCDRO CCN(CC[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F)C1CC1 ZINC000756524577 626711904 /nfs/dbraw/zinc/71/19/04/626711904.db2.gz KXRXEJFEKLTAMR-FZMZJTMJSA-N 1 0 292.398 3.154 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCN(CC2CC2)C1)c1cc(Cl)ccc1O ZINC000756554009 626714562 /nfs/dbraw/zinc/71/45/62/626714562.db2.gz NQDAXOFIEFSDBD-FZMZJTMJSA-N 1 0 294.826 3.181 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(CC3CC3)C2)c(O)c1C ZINC000756556725 626714721 /nfs/dbraw/zinc/71/47/21/626714721.db2.gz XMWRQTWOHYPDHC-ZBFHGGJFSA-N 1 0 288.435 3.144 20 10 CGCDRO CC[C@@H](COC)[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000756594508 626719412 /nfs/dbraw/zinc/71/94/12/626719412.db2.gz OAQRZEUUGAIAGR-OLZOCXBDSA-N 1 0 251.370 3.085 20 10 CGCDRO C[C@H](O)C[C@H](C)C[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756606191 626719742 /nfs/dbraw/zinc/71/97/42/626719742.db2.gz WMLCRTVAHVDULL-MRBYEJRBSA-N 1 0 281.371 3.076 20 10 CGCDRO C[C@@H](Cc1ccncc1)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000756636194 626722434 /nfs/dbraw/zinc/72/24/34/626722434.db2.gz VLWWJEJKZDVUGF-RYUDHWBXSA-N 1 0 274.339 3.208 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](CO)c2ccccc2C)c1 ZINC000756638000 626723643 /nfs/dbraw/zinc/72/36/43/626723643.db2.gz PUWMHOAORGPBGI-PBHICJAKSA-N 1 0 285.387 3.393 20 10 CGCDRO COC(C)(C)C[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000756646714 626724173 /nfs/dbraw/zinc/72/41/73/626724173.db2.gz OCBUITQXOYGOTI-GFCCVEGCSA-N 1 0 251.370 3.085 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ncccc2F)c(O)c1 ZINC000756768109 626730438 /nfs/dbraw/zinc/73/04/38/626730438.db2.gz JPRDQGSSPUPEJB-LLVKDONJSA-N 1 0 260.312 3.086 20 10 CGCDRO CCC(CC)(CO)C[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000756771305 626730573 /nfs/dbraw/zinc/73/05/73/626730573.db2.gz UUUXVNXTQYRXRW-CQSZACIVSA-N 1 0 279.424 3.458 20 10 CGCDRO CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000756787743 626732429 /nfs/dbraw/zinc/73/24/29/626732429.db2.gz RFJSQBGZILGGBZ-WOSRLPQWSA-N 1 0 263.381 3.166 20 10 CGCDRO Cc1cc(C[N@@H+]2CCO[C@@H](C3CCC3)C2)ccc1N(C)C ZINC000839623503 626767845 /nfs/dbraw/zinc/76/78/45/626767845.db2.gz FEGNKZUYLIUEPQ-GOSISDBHSA-N 1 0 288.435 3.062 20 10 CGCDRO COC1([C@H](C)[NH2+]Cc2ccc(N(C)C)c(C)c2)CCC1 ZINC000839660956 626771686 /nfs/dbraw/zinc/77/16/86/626771686.db2.gz QHWOQINNDMDAES-AWEZNQCLSA-N 1 0 276.424 3.108 20 10 CGCDRO COC1(C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)CCC1 ZINC000757636928 626796430 /nfs/dbraw/zinc/79/64/30/626796430.db2.gz KYIIOVFACBAUEP-ZYHUDNBSSA-N 1 0 279.355 3.238 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CC[C@H]2CCOC2)c(O)c1C ZINC000757659398 626798160 /nfs/dbraw/zinc/79/81/60/626798160.db2.gz ZJZJFJOFUQIPQF-KGLIPLIRSA-N 1 0 263.381 3.086 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H](c2cccnc2)C2CC2)cc1 ZINC000758629927 626851950 /nfs/dbraw/zinc/85/19/50/626851950.db2.gz CBEYYYNFJWRCNX-GOSISDBHSA-N 1 0 281.403 3.389 20 10 CGCDRO COC1(C[C@H](C)[NH2+]Cc2ccc(N(C)C)cc2C)CCC1 ZINC000759998958 626935649 /nfs/dbraw/zinc/93/56/49/626935649.db2.gz LYPSWRLFXWQDJJ-HNNXBMFYSA-N 1 0 290.451 3.498 20 10 CGCDRO COc1cc(Cl)cc(C[N@H+](C)Cc2ccoc2)c1O ZINC000761192611 627024296 /nfs/dbraw/zinc/02/42/96/627024296.db2.gz UQCYKYWAXODEOF-UHFFFAOYSA-N 1 0 281.739 3.279 20 10 CGCDRO COc1cccc(C[N@@H+]2CC[C@@H](C)C(C)(C)C2)c1O ZINC000761225005 627026778 /nfs/dbraw/zinc/02/67/78/627026778.db2.gz FCHWAXNZIQDZST-GFCCVEGCSA-N 1 0 263.381 3.269 20 10 CGCDRO COc1cc(C[N@@H+]2CC3(CCC3)C[C@H]2C)c(O)cc1C ZINC000762140888 627094847 /nfs/dbraw/zinc/09/48/47/627094847.db2.gz WRGPXYIOTSBWMZ-CYBMUJFWSA-N 1 0 275.392 3.474 20 10 CGCDRO CC[C@H]([NH2+]CC[C@H]1CCCO1)c1ccc(N(C)C)cc1 ZINC000764838742 627228536 /nfs/dbraw/zinc/22/85/36/627228536.db2.gz DZXRXVHWDZTEMM-SJORKVTESA-N 1 0 276.424 3.362 20 10 CGCDRO COc1cccc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000765781210 627270077 /nfs/dbraw/zinc/27/00/77/627270077.db2.gz VPDXKOYDTIHKRX-CYBMUJFWSA-N 1 0 285.391 3.007 20 10 CGCDRO CC(C)O[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C1(C)C ZINC000765815635 627273486 /nfs/dbraw/zinc/27/34/86/627273486.db2.gz WINZAQQQRLGCSS-SJORKVTESA-N 1 0 289.419 3.303 20 10 CGCDRO CCC[C@@](C)(O)C[NH2+][C@H](CC)c1ccc(N(C)C)cc1 ZINC000765939376 627280139 /nfs/dbraw/zinc/28/01/39/627280139.db2.gz ARQJRXWALUSZSC-IAGOWNOFSA-N 1 0 278.440 3.344 20 10 CGCDRO CC[C@H]([NH2+]C[C@]1(C)CCOC1)c1ccc(N(C)C)cc1 ZINC000765961250 627281954 /nfs/dbraw/zinc/28/19/54/627281954.db2.gz ZEIHMEZSWLGCPE-IRXDYDNUSA-N 1 0 276.424 3.220 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C(C)C ZINC000125080560 634566097 /nfs/dbraw/zinc/56/60/97/634566097.db2.gz IKRVIZPVVNJUOV-OKILXGFUSA-N 1 0 277.408 3.433 20 10 CGCDRO CCC[N@H+](CCO)Cc1cc(-c2ccccc2)ccc1O ZINC000768174688 627465757 /nfs/dbraw/zinc/46/57/57/627465757.db2.gz LACINQSSAPAUEJ-UHFFFAOYSA-N 1 0 285.387 3.264 20 10 CGCDRO COc1cccc(O)c1C[N@H+](C)CC1CCCCC1 ZINC000768236750 627470336 /nfs/dbraw/zinc/47/03/36/627470336.db2.gz KEISDKDPUDQSBK-UHFFFAOYSA-N 1 0 263.381 3.413 20 10 CGCDRO CCC(CC)C[N@H+](CC)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768439719 627479590 /nfs/dbraw/zinc/47/95/90/627479590.db2.gz MSWLKCBGXDJQDK-MRXNPFEDSA-N 1 0 293.407 3.076 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)CCCC3)CC(C)(C)O1 ZINC000768444463 627480714 /nfs/dbraw/zinc/48/07/14/627480714.db2.gz YKJFYLMJHKCWIH-CYBMUJFWSA-N 1 0 289.419 3.270 20 10 CGCDRO COc1cccc(O)c1C[N@H+](Cc1ccccn1)C(C)C ZINC000768927606 627509673 /nfs/dbraw/zinc/50/96/73/627509673.db2.gz ZFQGMOOTMBQVPC-UHFFFAOYSA-N 1 0 286.375 3.206 20 10 CGCDRO Oc1ccccc1C[N@H+](Cc1cn[nH]c1)C1CCCC1 ZINC000769388170 627547982 /nfs/dbraw/zinc/54/79/82/627547982.db2.gz KDEWLPAJHSLWDU-UHFFFAOYSA-N 1 0 271.364 3.060 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](CCCO)C2CC2)cc1F ZINC000769404065 627549542 /nfs/dbraw/zinc/54/95/42/627549542.db2.gz IMAKHTZCNDNVTJ-UHFFFAOYSA-N 1 0 294.414 3.019 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCO[C@H](C)[C@@H]2C)cc1 ZINC000769421596 627550968 /nfs/dbraw/zinc/55/09/68/627550968.db2.gz AXXHNBGPTIACPV-LSDHHAIUSA-N 1 0 276.424 3.142 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CCCC[C@@H](SC)C1 ZINC000770346138 627614107 /nfs/dbraw/zinc/61/41/07/627614107.db2.gz DCUXFPKAYCYYKU-GFCCVEGCSA-N 1 0 281.421 3.118 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000770371942 627615528 /nfs/dbraw/zinc/61/55/28/627615528.db2.gz CVUZBJLOOAXMHU-STQMWFEESA-N 1 0 295.810 3.294 20 10 CGCDRO CCc1cnccc1[C@H](C)[NH2+]Cc1ccccc1O ZINC000773426884 627882410 /nfs/dbraw/zinc/88/24/10/627882410.db2.gz IKUOAQILNOPYBE-LBPRGKRZSA-N 1 0 256.349 3.200 20 10 CGCDRO CCN(C)c1ccc(C[N@H+](C)C2CCN(CC)CC2)cc1 ZINC000773756199 627911461 /nfs/dbraw/zinc/91/14/61/627911461.db2.gz UROJVVTZDFTJPE-UHFFFAOYSA-N 1 0 289.467 3.059 20 10 CGCDRO CCO[C@H]1CCC[N@H+](Cc2ccc(N(C)CC)cc2)C1 ZINC000773754279 627911480 /nfs/dbraw/zinc/91/14/80/627911480.db2.gz QJGGSZPJOFZTOX-KRWDZBQOSA-N 1 0 276.424 3.144 20 10 CGCDRO CCC[C@@H]1C[N@H+](Cc2ccc(N(C)CC)cc2)CCO1 ZINC000773804745 627916856 /nfs/dbraw/zinc/91/68/56/627916856.db2.gz DKIZMXTZTFQXFR-QGZVFWFLSA-N 1 0 276.424 3.144 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccn(-c2ccccc2)n1)c1ccccc1O ZINC000775131829 628066379 /nfs/dbraw/zinc/06/63/79/628066379.db2.gz WPWOJDQGHHCTTF-CQSZACIVSA-N 1 0 293.370 3.429 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cn2ccccc2n1)c1ccccc1O ZINC000775413164 628092805 /nfs/dbraw/zinc/09/28/05/628092805.db2.gz XYCQXWJKZOWGOT-OAHLLOKOSA-N 1 0 281.359 3.281 20 10 CGCDRO CC[C@H]([NH2+]C[C@@](C)(O)C1CC1)c1cc(Cl)ccc1O ZINC000775503592 628101642 /nfs/dbraw/zinc/10/16/42/628101642.db2.gz KEYZJDCZOZXPRB-DZGCQCFKSA-N 1 0 283.799 3.247 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1O)c1cc(Cl)ccc1O ZINC000775503733 628101898 /nfs/dbraw/zinc/10/18/98/628101898.db2.gz NIUQIJWPFXJTCG-GUTXKFCHSA-N 1 0 283.799 3.390 20 10 CGCDRO CC[N@@H+](Cc1cc(Cl)cc(C)c1O)C[C@H]1CCOC1 ZINC000775653676 628120130 /nfs/dbraw/zinc/12/01/30/628120130.db2.gz MJPATWRRHUXLEL-GFCCVEGCSA-N 1 0 283.799 3.212 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H]2CC)c(O)c1 ZINC000775997558 628156955 /nfs/dbraw/zinc/15/69/55/628156955.db2.gz BEHIRCIVPCVMBX-DOMZBBRYSA-N 1 0 263.381 3.411 20 10 CGCDRO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]Cc1cc(OC)ccc1O ZINC000776165472 628173662 /nfs/dbraw/zinc/17/36/62/628173662.db2.gz RAXPAZSYSKYIAA-JKSUJKDBSA-N 1 0 293.407 3.084 20 10 CGCDRO COc1cc(O)c(C[NH2+][C@@H](C)C2CCCCC2)cc1OC ZINC000776213061 628181783 /nfs/dbraw/zinc/18/17/83/628181783.db2.gz PJQSTWLKSVVZCP-LBPRGKRZSA-N 1 0 293.407 3.468 20 10 CGCDRO COC[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(C)c1O ZINC000776232481 628182719 /nfs/dbraw/zinc/18/27/19/628182719.db2.gz YJWLWIVQLACWJV-QGZVFWFLSA-N 1 0 285.387 3.048 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)c1O ZINC000776257612 628186493 /nfs/dbraw/zinc/18/64/93/628186493.db2.gz ZANYHVMEGPIKHN-NFAWXSAZSA-N 1 0 295.473 3.170 20 10 CGCDRO COc1ccc(N2CC[NH+]([C@@H](C)CC(C)C)CC2)cc1 ZINC000777400720 628267842 /nfs/dbraw/zinc/26/78/42/628267842.db2.gz CBRVBBFCHNGSOM-HNNXBMFYSA-N 1 0 276.424 3.252 20 10 CGCDRO CC1(C)[C@H](O)C[C@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000778193108 628332871 /nfs/dbraw/zinc/33/28/71/628332871.db2.gz PWOJWWDOWMZSSE-QZTJIDSGSA-N 1 0 297.398 3.308 20 10 CGCDRO C[N@H+](Cc1cccs1)Cc1cc(F)ccc1O ZINC000778993974 628381692 /nfs/dbraw/zinc/38/16/92/628381692.db2.gz ZNCCHLOCWJQDGN-UHFFFAOYSA-N 1 0 251.326 3.225 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1C[C@H](O)C1(C)C)c1cc(Cl)ccc1O ZINC000779063581 628386054 /nfs/dbraw/zinc/38/60/54/628386054.db2.gz HBYYUXJYUIAHFQ-YUTCNCBUSA-N 1 0 283.799 3.246 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C1CC(OC(C)C)C1 ZINC000779165589 628392010 /nfs/dbraw/zinc/39/20/10/628392010.db2.gz CBIUEPCOXFTRLN-UHFFFAOYSA-N 1 0 276.424 3.107 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@H](OC(F)F)C2)c1 ZINC000781149969 628540824 /nfs/dbraw/zinc/54/08/24/628540824.db2.gz ANAVLDHXUXSOEM-ZDUSSCGKSA-N 1 0 285.334 3.213 20 10 CGCDRO COc1ccc(N(C)CCC[NH+]2CCCCC2)cc1F ZINC000781895728 628603268 /nfs/dbraw/zinc/60/32/68/628603268.db2.gz UTEQNCFWSHRWLQ-UHFFFAOYSA-N 1 0 280.387 3.147 20 10 CGCDRO C[C@@H]([NH2+]CCN(C)C1CCCCC1)c1ccccc1O ZINC000783499776 628718690 /nfs/dbraw/zinc/71/86/90/628718690.db2.gz BGGDGLWHNFXDJP-CQSZACIVSA-N 1 0 276.424 3.307 20 10 CGCDRO C[C@H]([NH2+]CCN1c2ccccc2C[C@@H]1C)c1ccccc1O ZINC000783505131 628718946 /nfs/dbraw/zinc/71/89/46/628718946.db2.gz MAMJKTRVYLBLDY-GJZGRUSLSA-N 1 0 296.414 3.494 20 10 CGCDRO C[C@H]([NH2+]Cc1nc2cc(F)ccc2n1C)c1ccccc1O ZINC000783524322 628721987 /nfs/dbraw/zinc/72/19/87/628721987.db2.gz ZNBNAUIOZHBKIN-NSHDSACASA-N 1 0 299.349 3.269 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)C[C@H](C)O)c1ccc(N2CCCCC2)cc1 ZINC000783535591 628723317 /nfs/dbraw/zinc/72/33/17/628723317.db2.gz HSOXHNVTKRHKDP-HRCADAONSA-N 1 0 290.451 3.487 20 10 CGCDRO COc1ccc2c(c1)CC[N@@H+](Cc1cc(C)ccc1O)CC2 ZINC000784681030 628829179 /nfs/dbraw/zinc/82/91/79/628829179.db2.gz VKKYOAGJIPVGTF-UHFFFAOYSA-N 1 0 297.398 3.310 20 10 CGCDRO CN(C)c1ccc(C[NH2+]Cc2scnc2C2CC2)cc1 ZINC000785413575 628860615 /nfs/dbraw/zinc/86/06/15/628860615.db2.gz OVAGDVIOFXZIPK-UHFFFAOYSA-N 1 0 287.432 3.376 20 10 CGCDRO Oc1ccccc1C[NH2+]C[C@H](O)c1cc(F)cc(Cl)c1 ZINC000785616736 628874847 /nfs/dbraw/zinc/87/48/47/628874847.db2.gz URVAJRCSRGHBOY-HNNXBMFYSA-N 1 0 295.741 3.008 20 10 CGCDRO CN(C)c1ccc(C[N@H+](CC[C@H]2CCCO2)C2CC2)cc1 ZINC000787184438 628999446 /nfs/dbraw/zinc/99/94/46/628999446.db2.gz POZKPVRYFHBCRV-GOSISDBHSA-N 1 0 288.435 3.286 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)c2cc[nH]c(=O)c2)cc1 ZINC000788546915 629064169 /nfs/dbraw/zinc/06/41/69/629064169.db2.gz MYYGPQSUXPWMIC-CQSZACIVSA-N 1 0 299.418 3.484 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@]2(CC)CO)cc1 ZINC000789567008 629145794 /nfs/dbraw/zinc/14/57/94/629145794.db2.gz QOBWPZDIFDKZHB-GOSISDBHSA-N 1 0 290.451 3.270 20 10 CGCDRO CCn1ccc(C[N@H+](C)Cc2c(O)ccc3ccncc32)c1 ZINC000790447218 629211342 /nfs/dbraw/zinc/21/13/42/629211342.db2.gz PABKMWPAXRIRCR-UHFFFAOYSA-N 1 0 295.386 3.394 20 10 CGCDRO Cc1cc(Cl)cc(C[N@H+]2CCCC[C@H]2C[C@@H](C)O)c1O ZINC000790934107 629241282 /nfs/dbraw/zinc/24/12/82/629241282.db2.gz DZGPXSWPISAWPG-DOMZBBRYSA-N 1 0 297.826 3.479 20 10 CGCDRO C[C@H]1CCC[N@@H+]1Cc1cc(F)c(N(C)C)cc1F ZINC000862243013 629330297 /nfs/dbraw/zinc/33/02/97/629330297.db2.gz WEXWPRCYURZVBD-JTQLQIEISA-N 1 0 254.324 3.015 20 10 CGCDRO CC(C)C1C[NH+](Cc2c(O)cccc2Br)C1 ZINC000862350631 629346026 /nfs/dbraw/zinc/34/60/26/629346026.db2.gz CUUOXVBMYWRTIM-UHFFFAOYSA-N 1 0 284.197 3.243 20 10 CGCDRO COCC[N@H+](Cc1cc(F)ccc1O)[C@H]1CC[C@H](C)C1 ZINC000792193373 629348221 /nfs/dbraw/zinc/34/82/21/629348221.db2.gz UGEMSEPBASZKTI-WFASDCNBSA-N 1 0 281.371 3.168 20 10 CGCDRO COC[C@H]1CCCC[N@@H+]1Cc1cc(F)c(N(C)C)cc1F ZINC000862390128 629359528 /nfs/dbraw/zinc/35/95/28/629359528.db2.gz BDNURPLQWAWBAR-CYBMUJFWSA-N 1 0 298.377 3.032 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)cc1F ZINC000862473573 629383499 /nfs/dbraw/zinc/38/34/99/629383499.db2.gz VWEVMGZYGUXKKC-KGLIPLIRSA-N 1 0 294.439 3.362 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H]2CS[C@H](C(C)C)C2)c1 ZINC000862478858 629384798 /nfs/dbraw/zinc/38/47/98/629384798.db2.gz SYSLJNOUPNNRRU-HIFRSBDPSA-N 1 0 265.422 3.320 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CCc3c(O)cccc3C2)c1O ZINC000862530305 629391944 /nfs/dbraw/zinc/39/19/44/629391944.db2.gz ZCXQBKMUNPIPBS-UHFFFAOYSA-N 1 0 299.370 3.055 20 10 CGCDRO CO[C@H]1C[C@@H](C[NH2+]Cc2ccc3ccccc3c2O)C1 ZINC000862547334 629397895 /nfs/dbraw/zinc/39/78/95/629397895.db2.gz BXNMRCCIWPBOEQ-JNSHFYNHSA-N 1 0 271.360 3.060 20 10 CGCDRO Cc1cc(Br)cc(C[NH+]2[C@@H](C)C[C@@H]2C)c1O ZINC000793221648 629427477 /nfs/dbraw/zinc/42/74/77/629427477.db2.gz YKGDSXRWGVLHDX-UWVGGRQHSA-N 1 0 284.197 3.446 20 10 CGCDRO Cc1cc(Cl)cc(C[N@H+]2C[C@@H](C)O[C@H](C3CC3)C2)c1O ZINC000793214783 629429010 /nfs/dbraw/zinc/42/90/10/629429010.db2.gz RGJVOSSYDDCOBZ-ABAIWWIYSA-N 1 0 295.810 3.353 20 10 CGCDRO C[C@@H]1C[C@@H](C)[NH+]1Cc1cc(Br)ccc1O ZINC000793219950 629430238 /nfs/dbraw/zinc/43/02/38/629430238.db2.gz ILTYPCUGJKZCBW-RKDXNWHRSA-N 1 0 270.170 3.137 20 10 CGCDRO COC1(C[NH2+]Cc2ccc3c(c2)CCO3)CCC(C)CC1 ZINC000793291442 629440452 /nfs/dbraw/zinc/44/04/52/629440452.db2.gz ROAGWVLSFVTMBJ-UHFFFAOYSA-N 1 0 289.419 3.306 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CCC[C@@](C)(OC)CC2)c(O)c1 ZINC000793340576 629445174 /nfs/dbraw/zinc/44/51/74/629445174.db2.gz QSFBBWIHJGKRIW-QGZVFWFLSA-N 1 0 293.407 3.182 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H](O)CC(C)C)c1ccc(C)cc1O ZINC000794805853 629580604 /nfs/dbraw/zinc/58/06/04/629580604.db2.gz RIUSQELRNZVDMI-UKRRQHHQSA-N 1 0 265.397 3.148 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCN2CC=CCC2)cc1 ZINC000794835460 629584835 /nfs/dbraw/zinc/58/48/35/629584835.db2.gz QHMJPYYTRVYAKW-MRXNPFEDSA-N 1 0 287.451 3.055 20 10 CGCDRO CCOc1ccc(C[NH2+]CC2(C(F)(F)F)CC2)c(O)c1 ZINC000796490122 629790031 /nfs/dbraw/zinc/79/00/31/629790031.db2.gz OEJCKDQCIMQJQC-UHFFFAOYSA-N 1 0 289.297 3.223 20 10 CGCDRO c1csc(SCCC[NH2+][C@@H]2CCCc3n[nH]cc32)n1 ZINC000796772439 629830577 /nfs/dbraw/zinc/83/05/77/629830577.db2.gz RRWPQXBFCRDMFR-LLVKDONJSA-N 1 0 294.449 3.016 20 10 CGCDRO CC[C@H]([NH2+]Cc1cnn2ccccc12)c1ccccc1O ZINC000797051951 629878138 /nfs/dbraw/zinc/87/81/38/629878138.db2.gz HBOJNAWQTLURMZ-HNNXBMFYSA-N 1 0 281.359 3.281 20 10 CGCDRO CCCN1CCC[C@H]1C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000797114785 629890951 /nfs/dbraw/zinc/89/09/51/629890951.db2.gz QUQYIZGDMMSJHU-JSGCOSHPSA-N 1 0 280.387 3.056 20 10 CGCDRO COc1ccc(C[NH2+]Cc2cc(C)nc(Cl)c2)c(O)c1 ZINC000797605080 629970502 /nfs/dbraw/zinc/97/05/02/629970502.db2.gz MIZBGQNLIZQYOR-UHFFFAOYSA-N 1 0 292.766 3.047 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CC[C@@H]2C2CC2)cc1F ZINC000797906111 630000652 /nfs/dbraw/zinc/00/06/52/630000652.db2.gz WITOKAFZOBGRHF-UKRRQHHQSA-N 1 0 262.372 3.170 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CC[C@H]2C2CC2)c1 ZINC000798004961 630014675 /nfs/dbraw/zinc/01/46/75/630014675.db2.gz QNLIZEHOLOKUIW-XEGUGMAKSA-N 1 0 261.365 3.240 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CC[C@H]2C2CC2)c1 ZINC000798004960 630014759 /nfs/dbraw/zinc/01/47/59/630014759.db2.gz QNLIZEHOLOKUIW-VZJVUDMVSA-N 1 0 261.365 3.240 20 10 CGCDRO CCOc1ccc(C[NH2+]C[C@@H]2CCC[C@H]2C)c(O)c1 ZINC000798506017 630061085 /nfs/dbraw/zinc/06/10/85/630061085.db2.gz QSSVJETXPWJUFO-OLZOCXBDSA-N 1 0 263.381 3.317 20 10 CGCDRO CCOc1cc(F)cc(C[NH2+]Cc2ccccc2O)c1 ZINC000865442759 630125790 /nfs/dbraw/zinc/12/57/90/630125790.db2.gz RWSVZEWOQXJNEL-UHFFFAOYSA-N 1 0 275.323 3.220 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](c3ccccn3)C2)cc1 ZINC000798962873 630129170 /nfs/dbraw/zinc/12/91/70/630129170.db2.gz RSGYDJBIYUAPQF-MRXNPFEDSA-N 1 0 281.403 3.137 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)cc1 ZINC000800472779 630283070 /nfs/dbraw/zinc/28/30/70/630283070.db2.gz AOMZNOJAZQHVEP-OIISXLGYSA-N 1 0 258.409 3.421 20 10 CGCDRO COc1cccc(C[NH2+]CC(C)(C)C(F)(F)F)c1O ZINC000800888396 630309286 /nfs/dbraw/zinc/30/92/86/630309286.db2.gz BFQIZYYULFSPRR-UHFFFAOYSA-N 1 0 277.286 3.079 20 10 CGCDRO Cc1cc(C)cc([C@H](O)C[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000800896242 630309900 /nfs/dbraw/zinc/30/99/00/630309900.db2.gz DIYJSRXJALXKDX-GOSISDBHSA-N 1 0 297.398 3.062 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCCOC(F)F)c(O)c1C ZINC000800990426 630318208 /nfs/dbraw/zinc/31/82/08/630318208.db2.gz SRTUIXRWOPLZJQ-NSHDSACASA-N 1 0 273.323 3.289 20 10 CGCDRO COc1cc(C[N@@H+]2CCC[C@](C)(F)C2)c(O)cc1C ZINC000840097804 630592055 /nfs/dbraw/zinc/59/20/55/630592055.db2.gz DSXCYUAWWYTYQL-HNNXBMFYSA-N 1 0 267.344 3.033 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCN2CC[C@@H](C)C2)c1O ZINC000808701195 630666592 /nfs/dbraw/zinc/66/65/92/630666592.db2.gz YNJQQARZUQBBLR-DGCLKSJQSA-N 1 0 296.842 3.346 20 10 CGCDRO CC[C@@H](COC)[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808697545 630666647 /nfs/dbraw/zinc/66/66/47/630666647.db2.gz MTLJDEAMDAUDIL-JQWIXIFHSA-N 1 0 271.788 3.430 20 10 CGCDRO CCCC[N@@H+](Cc1ccccc1O)C[C@H](O)C(C)(C)C ZINC000808756931 630674939 /nfs/dbraw/zinc/67/49/39/630674939.db2.gz AAAPSHJIBNETCW-INIZCTEOSA-N 1 0 279.424 3.401 20 10 CGCDRO Cc1ccc([C@@H](O)[C@@H](C)[NH2+]Cc2cccc(C)c2O)cc1 ZINC000809701344 630785402 /nfs/dbraw/zinc/78/54/02/630785402.db2.gz DOZOHZJCGLFSFN-KDOFPFPSSA-N 1 0 285.387 3.221 20 10 CGCDRO C[N@@H+](Cc1cc(-c2ccccc2)ccc1O)C[C@H](O)C1CC1 ZINC000809751207 630800681 /nfs/dbraw/zinc/80/06/81/630800681.db2.gz DUYXFWAHGLNKOK-IBGZPJMESA-N 1 0 297.398 3.262 20 10 CGCDRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000809768251 630803629 /nfs/dbraw/zinc/80/36/29/630803629.db2.gz GHDWPZRIXQHBHW-WBVHZDCISA-N 1 0 288.435 3.286 20 10 CGCDRO CCOC1CC([N@H+](C)Cc2cc(Cl)cc(C)c2O)C1 ZINC000809773690 630803677 /nfs/dbraw/zinc/80/36/77/630803677.db2.gz HEQPKHIFMWCKAK-UHFFFAOYSA-N 1 0 283.799 3.353 20 10 CGCDRO CC[C@H](C[NH2+][C@@H](CC)c1ccc(N(C)C)cc1)OC ZINC000810260200 630861156 /nfs/dbraw/zinc/86/11/56/630861156.db2.gz GWNYKOFXHMGXQP-CVEARBPZSA-N 1 0 264.413 3.218 20 10 CGCDRO CC[C@H](C[NH2+][C@H](CC)c1ccc(N(C)C)cc1)OC ZINC000810260204 630861368 /nfs/dbraw/zinc/86/13/68/630861368.db2.gz GWNYKOFXHMGXQP-HZPDHXFCSA-N 1 0 264.413 3.218 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CC2(CCC2)[C@@H]1C1CC1 ZINC000811513467 631080473 /nfs/dbraw/zinc/08/04/73/631080473.db2.gz IPBPRFHVUWYAKN-INIZCTEOSA-N 1 0 273.376 3.165 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CC(C)(C)[C@H]1C1CC1 ZINC000811513521 631082521 /nfs/dbraw/zinc/08/25/21/631082521.db2.gz JTTQFEWHQUUMJE-OAHLLOKOSA-N 1 0 261.365 3.021 20 10 CGCDRO COCC1(C[NH2+]Cc2cccc(C)c2O)CCCCC1 ZINC000811518757 631083333 /nfs/dbraw/zinc/08/33/33/631083333.db2.gz PVUCUFHMLVZREZ-UHFFFAOYSA-N 1 0 277.408 3.387 20 10 CGCDRO COc1ccc2c(c1)C1(CC1)C[N@@H+](Cc1ccccc1O)C2 ZINC000811518402 631083370 /nfs/dbraw/zinc/08/33/70/631083370.db2.gz JFIXROFJNWVXMJ-UHFFFAOYSA-N 1 0 295.382 3.448 20 10 CGCDRO COc1cc(C[N@@H+]2CCC(F)(F)[C@@H](C)C2)c(O)cc1C ZINC000811778217 631119317 /nfs/dbraw/zinc/11/93/17/631119317.db2.gz BZSZNTRBSGBJAU-NSHDSACASA-N 1 0 285.334 3.186 20 10 CGCDRO C=Cc1ccc(CC[NH2+]Cc2cccc(OC)c2O)cc1 ZINC000812773291 631305427 /nfs/dbraw/zinc/30/54/27/631305427.db2.gz SMSQVQVLKTUDIP-UHFFFAOYSA-N 1 0 283.371 3.376 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCn3cccc3[C@H]2C)c(O)c1 ZINC000876531518 634851981 /nfs/dbraw/zinc/85/19/81/634851981.db2.gz IIUYWGQQDZLNSI-CYBMUJFWSA-N 1 0 256.349 3.079 20 10 CGCDRO Cc1nnsc1C[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000813884606 631476043 /nfs/dbraw/zinc/47/60/43/631476043.db2.gz MWWPMEUMCHNIGQ-GMSGAONNSA-N 1 0 293.367 3.029 20 10 CGCDRO C[C@@H](CF)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000814299620 631569773 /nfs/dbraw/zinc/56/97/73/631569773.db2.gz AIKNTCYGMPOEBA-LBPRGKRZSA-N 1 0 295.358 3.033 20 10 CGCDRO Cc1cc(C[N@H+](C)[C@@H](CO)c2ccccc2)ccc1N(C)C ZINC000815037355 631706453 /nfs/dbraw/zinc/70/64/53/631706453.db2.gz IYTPGHCXERAHBY-IBGZPJMESA-N 1 0 298.430 3.226 20 10 CGCDRO Oc1ccccc1C[NH2+]Cc1c(F)cc(F)cc1F ZINC000815151230 631731493 /nfs/dbraw/zinc/73/14/93/631731493.db2.gz CPSVGDQZGUEWAG-UHFFFAOYSA-N 1 0 267.250 3.099 20 10 CGCDRO CC[C@H](C)N(C)CC[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000815574638 631797625 /nfs/dbraw/zinc/79/76/25/631797625.db2.gz XWQGDMCSRGGYEU-GJZGRUSLSA-N 1 0 278.440 3.390 20 10 CGCDRO C[C@H]([NH2+]CCCSc1nccs1)[C@]1(C)CCCO1 ZINC000815581371 631799182 /nfs/dbraw/zinc/79/91/82/631799182.db2.gz DRVSRIIPAQYZAW-AAEUAGOBSA-N 1 0 286.466 3.173 20 10 CGCDRO CC[C@@H](C[NH2+][C@@H](C)c1c(C)cc(C)cc1O)OC ZINC000815628011 631808851 /nfs/dbraw/zinc/80/88/51/631808851.db2.gz PBJWBDUBXJYXJU-STQMWFEESA-N 1 0 251.370 3.085 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2cc[nH]c(=O)c2)c1 ZINC000815643049 631811564 /nfs/dbraw/zinc/81/15/64/631811564.db2.gz RWQQQRQDSSDRNQ-RYUDHWBXSA-N 1 0 272.348 3.213 20 10 CGCDRO CO[C@H](C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)C1CC1 ZINC000815650942 631812681 /nfs/dbraw/zinc/81/26/81/631812681.db2.gz FXLSNEJXSIBZBJ-KPZWWZAWSA-N 1 0 289.419 3.347 20 10 CGCDRO CN(Cc1ccccc1O)Cc1cccc(O)c1Cl ZINC000816492907 631991981 /nfs/dbraw/zinc/99/19/81/631991981.db2.gz JDPQZIUSGKLMGO-UHFFFAOYSA-N 1 0 277.751 3.383 20 10 CGCDRO CC(C)C[C@H](O)C[NH2+]Cc1ccc2ccccc2c1O ZINC000816543813 632006913 /nfs/dbraw/zinc/00/69/13/632006913.db2.gz OVKYZMLXZKMKKA-HNNXBMFYSA-N 1 0 273.376 3.042 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc3ccccc3c2O)CCN1C ZINC000816554829 632010491 /nfs/dbraw/zinc/01/04/91/632010491.db2.gz JWHWPWLLWWVBAJ-CZUORRHYSA-N 1 0 284.403 3.118 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CC(C)(C)[C@@H]2C(C)C)cc1OC ZINC000816624879 632027289 /nfs/dbraw/zinc/02/72/89/632027289.db2.gz KBIOWZPDRXKJKQ-INIZCTEOSA-N 1 0 293.407 3.276 20 10 CGCDRO Cc1cc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)cc(C)n1 ZINC000817409959 632141268 /nfs/dbraw/zinc/14/12/68/632141268.db2.gz HGRPGSIZVOXTLZ-UHFFFAOYSA-N 1 0 287.382 3.193 20 10 CGCDRO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000817414609 632145414 /nfs/dbraw/zinc/14/54/14/632145414.db2.gz MDTYPSFDDANKSM-CRAIPNDOSA-N 1 0 288.435 3.022 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CC[C@H](C2CCCC2)C1 ZINC000817414954 632145642 /nfs/dbraw/zinc/14/56/42/632145642.db2.gz NHFLZNGYTXMMKX-AWEZNQCLSA-N 1 0 275.392 3.413 20 10 CGCDRO CC[C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(C)c2O)CCO1 ZINC000817415144 632145753 /nfs/dbraw/zinc/14/57/53/632145753.db2.gz PISCJGOPFVGLLW-KGLIPLIRSA-N 1 0 283.799 3.401 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1cccs1 ZINC000817938318 632239315 /nfs/dbraw/zinc/23/93/15/632239315.db2.gz IZHYFGBKTFLFFD-IUODEOHRSA-N 1 0 289.448 3.165 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)NC[C@@H]2CCCC[NH2+]2)c1O ZINC000817949798 632246953 /nfs/dbraw/zinc/24/69/53/632246953.db2.gz NFZXIYCRGYJVPK-AAEUAGOBSA-N 1 0 282.815 3.147 20 10 CGCDRO C[C@@H](CCc1ccco1)[NH2+]CCc1ccc(N)cc1 ZINC000817955457 632249923 /nfs/dbraw/zinc/24/99/23/632249923.db2.gz BINRGQSJRPPPDM-ZDUSSCGKSA-N 1 0 258.365 3.015 20 10 CGCDRO Nc1ccc(CC[NH2+][C@@H]2CSCCc3ccccc32)cc1 ZINC000817955859 632251108 /nfs/dbraw/zinc/25/11/08/632251108.db2.gz JKCXWCMPRKJAJJ-GOSISDBHSA-N 1 0 298.455 3.432 20 10 CGCDRO Nc1ccc(CC[NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)cc1 ZINC000817958155 632253312 /nfs/dbraw/zinc/25/33/12/632253312.db2.gz SLBBXPHZKJLLEP-QGZVFWFLSA-N 1 0 298.434 3.446 20 10 CGCDRO CC(C)[C@@H]([NH3+])CN[C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000817958969 632254532 /nfs/dbraw/zinc/25/45/32/632254532.db2.gz NVEINIRFRQHDAE-QAPCUYQASA-N 1 0 289.467 3.311 20 10 CGCDRO C[C@H](NC[C@@H]([NH3+])C1CC1)c1ccc(N2CCCCC2)cc1 ZINC000817965209 632260005 /nfs/dbraw/zinc/26/00/05/632260005.db2.gz NVJFXLNQSNBONB-KBXCAEBGSA-N 1 0 287.451 3.065 20 10 CGCDRO CC[C@@H]([NH3+])CN[C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000817979055 632269859 /nfs/dbraw/zinc/26/98/59/632269859.db2.gz HSLKRWKIWOBYQS-DOTOQJQBSA-N 1 0 289.467 3.455 20 10 CGCDRO CC[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccc(F)cc1[O-] ZINC000817980644 632271183 /nfs/dbraw/zinc/27/11/83/632271183.db2.gz LZOJEGNJXGFBGO-ZFWWWQNUSA-N 1 0 280.387 3.104 20 10 CGCDRO CC[C@H](N[C@@H]1CCCC[NH2+]C1)c1cc(Cl)ccc1O ZINC000817984756 632273972 /nfs/dbraw/zinc/27/39/72/632273972.db2.gz ZDGRHAFOAZTIDF-OCCSQVGLSA-N 1 0 282.815 3.228 20 10 CGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)[C@H]3C[C@H]3C)C2)cc1 ZINC000818222177 632298500 /nfs/dbraw/zinc/29/85/00/632298500.db2.gz QVCCHRAYUDWJTG-ADAWSYLGSA-N 1 0 288.435 3.156 20 10 CGCDRO CCC[C@H](C)[NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818345565 632312126 /nfs/dbraw/zinc/31/21/26/632312126.db2.gz WNEAIBIOAAJQKO-GJZGRUSLSA-N 1 0 276.424 3.300 20 10 CGCDRO C[C@@H]1CC2(C[N@@H+]1Cc1cccc(Cl)c1[O-])CC[NH2+]CC2 ZINC000818431920 632318097 /nfs/dbraw/zinc/31/80/97/632318097.db2.gz WKXDUSPXSXMVOX-GFCCVEGCSA-N 1 0 294.826 3.010 20 10 CGCDRO Nc1ccc(NC(=O)CC[C@H]([NH3+])CC2CCCCC2)cc1 ZINC000818556474 632334183 /nfs/dbraw/zinc/33/41/83/632334183.db2.gz UEEGRFODQFPMPB-HNNXBMFYSA-N 1 0 289.423 3.285 20 10 CGCDRO CC(C)([NH2+]Cc1ccc2c(c1)CCO2)[C@@H]1CCCCO1 ZINC000865744712 632875165 /nfs/dbraw/zinc/87/51/65/632875165.db2.gz AXYFBTOHASIAQZ-INIZCTEOSA-N 1 0 275.392 3.059 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C(C)(C)[C@H]2CCCCO2)cc1 ZINC000865745350 632875682 /nfs/dbraw/zinc/87/56/82/632875682.db2.gz GYFTYOIOYRHFOD-MRXNPFEDSA-N 1 0 276.424 3.190 20 10 CGCDRO COc1ccc(C[NH2+]C[C@@H]2CCC23CCOCC3)cc1C ZINC000865778025 632887132 /nfs/dbraw/zinc/88/71/32/632887132.db2.gz FGONTSWJIVONTE-INIZCTEOSA-N 1 0 289.419 3.300 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2c3ccccc3CN2C)cc1C ZINC000865806711 632896236 /nfs/dbraw/zinc/89/62/36/632896236.db2.gz SRGNSIQXMIGNKQ-GOSISDBHSA-N 1 0 296.414 3.285 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+][C@H]1C[C@@]1(F)c1ccccc1 ZINC000822497950 632948291 /nfs/dbraw/zinc/94/82/91/632948291.db2.gz PFPBRGVJQXUIJF-JKSUJKDBSA-N 1 0 275.298 3.258 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@H]2C[C@@]2(F)c2ccccc2)c1 ZINC000822497823 632949014 /nfs/dbraw/zinc/94/90/14/632949014.db2.gz MCHHHNFRGWZJKQ-DLBZAZTESA-N 1 0 287.334 3.128 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)[C@@H](O)C(F)(F)F)c1ccc(C)cc1O ZINC000866464577 633146375 /nfs/dbraw/zinc/14/63/75/633146375.db2.gz XAJNIWMSDGJPHS-SUZMYJTESA-N 1 0 291.313 3.053 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCCN3C)C[C@H](C)O1 ZINC000823729388 633146534 /nfs/dbraw/zinc/14/65/34/633146534.db2.gz FGGHBSROKRPMJB-HALDLXJZSA-N 1 0 288.435 3.115 20 10 CGCDRO CC[C@H]([NH2+][C@H]1C[C@H](SC)C1)c1ccccc1O ZINC000866487694 633157603 /nfs/dbraw/zinc/15/76/03/633157603.db2.gz FLMIVUBQIIBIIY-GVXVVHGQSA-N 1 0 251.395 3.327 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ncc(C)s1)c1ccccc1O ZINC000121089146 633166215 /nfs/dbraw/zinc/16/62/15/633166215.db2.gz AUYJUHCRGBEQPZ-GFCCVEGCSA-N 1 0 262.378 3.398 20 10 CGCDRO CC1(C)CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000121134634 633207626 /nfs/dbraw/zinc/20/76/26/633207626.db2.gz NQQMRDCUNLXPIL-UHFFFAOYSA-N 1 0 288.435 3.145 20 10 CGCDRO C[C@@H]([NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)c1ccnn1C ZINC000866614249 633214620 /nfs/dbraw/zinc/21/46/20/633214620.db2.gz LVWLVUQSYZHXJO-FOGDFJRCSA-N 1 0 289.354 3.164 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCCn2nccc21)c1cc(Cl)ccc1O ZINC000866634778 633223606 /nfs/dbraw/zinc/22/36/06/633223606.db2.gz ULEDKCQDHXGARO-ZWNOBZJWSA-N 1 0 291.782 3.428 20 10 CGCDRO COc1cccc(C[N@@H+]2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)c1O ZINC000824703129 633276539 /nfs/dbraw/zinc/27/65/39/633276539.db2.gz WFZYWUQRQRDKAE-PXMRGAAZSA-N 1 0 285.387 3.045 20 10 CGCDRO C[C@@]12C[N@H+](Cc3ccccc3O)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000824702832 633276906 /nfs/dbraw/zinc/27/69/06/633276906.db2.gz RFDMUWKRJQLHOA-DYWXZXKOSA-N 1 0 255.361 3.036 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]C[C@@]2(C)CC2(Cl)Cl)c1 ZINC000824765891 633285012 /nfs/dbraw/zinc/28/50/12/633285012.db2.gz QSHIEHLWTXXNFP-GFCCVEGCSA-N 1 0 274.191 3.374 20 10 CGCDRO Cc1cc(O)c(CN2CC[NH+](C3CCC3)CC2)cc1Cl ZINC000824807206 633292593 /nfs/dbraw/zinc/29/25/93/633292593.db2.gz CQIRWZVRXZRHPP-UHFFFAOYSA-N 1 0 294.826 3.024 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]C[C@@H]2CCO[C@@H](C(C)C)C2)c1 ZINC000824800450 633293131 /nfs/dbraw/zinc/29/31/31/633293131.db2.gz XXTIWWXYFDNWIF-RHSMWYFYSA-N 1 0 277.408 3.241 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2CCSC[C@H]2C)cc1Cl ZINC000824806845 633293303 /nfs/dbraw/zinc/29/33/03/633293303.db2.gz AAWBYWKIQUWKSU-SNVBAGLBSA-N 1 0 271.813 3.291 20 10 CGCDRO CCn1cc(C[N@H+](C)Cc2cc(Cl)c(C)cc2O)cn1 ZINC000824818101 633295889 /nfs/dbraw/zinc/29/58/89/633295889.db2.gz GMVZLGKFBIHVTE-UHFFFAOYSA-N 1 0 293.798 3.202 20 10 CGCDRO C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2O)c2nccn21 ZINC000825017516 633318981 /nfs/dbraw/zinc/31/89/81/633318981.db2.gz TVSJNYXYHGXITN-JOYOIKCWSA-N 1 0 277.755 3.038 20 10 CGCDRO CCc1ncc(C[NH2+]Cc2cc(Cl)cc(C)c2O)o1 ZINC000825078764 633326270 /nfs/dbraw/zinc/32/62/70/633326270.db2.gz COFYXILRNFCKIN-UHFFFAOYSA-N 1 0 280.755 3.194 20 10 CGCDRO CO[C@H]1C[C@@H]([N@H+](C)Cc2cccc(C)c2O)C12CCC2 ZINC000825104334 633329562 /nfs/dbraw/zinc/32/95/62/633329562.db2.gz UHMCHVYQKFAOOO-CABCVRRESA-N 1 0 275.392 3.090 20 10 CGCDRO CC[C@@H]([NH2+]CC(C)(C)OC)c1ccc(N(C)C)cc1 ZINC000122242204 633350678 /nfs/dbraw/zinc/35/06/78/633350678.db2.gz SQNHEJMIJZFPMD-OAHLLOKOSA-N 1 0 264.413 3.218 20 10 CGCDRO CC[C@H]([NH2+]Cc1cc(Cl)c(C)cc1O)[C@@H]1CCCO1 ZINC000825390199 633351915 /nfs/dbraw/zinc/35/19/15/633351915.db2.gz CHZHTAZLFBQMEL-ZFWWWQNUSA-N 1 0 283.799 3.401 20 10 CGCDRO CO[C@@H]1CCC[C@@H]1C[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825406664 633353247 /nfs/dbraw/zinc/35/32/47/633353247.db2.gz WQRIOCHAFALSRV-IAQYHMDHSA-N 1 0 283.799 3.259 20 10 CGCDRO CO[C@H]1CCC[N@H+](Cc2cc(Cl)c(C)cc2O)CC1 ZINC000825489237 633357346 /nfs/dbraw/zinc/35/73/46/633357346.db2.gz FXVKDYNYTUIQEK-ZDUSSCGKSA-N 1 0 283.799 3.355 20 10 CGCDRO CC[C@@](C)(CC(=O)OC)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825505264 633359436 /nfs/dbraw/zinc/35/94/36/633359436.db2.gz VCYVVLCBXSTIPZ-HNNXBMFYSA-N 1 0 299.798 3.175 20 10 CGCDRO CC[N@@H+](Cc1cc(Cl)c(C)cc1O)C[C@@H](C)OC ZINC000825955086 633391536 /nfs/dbraw/zinc/39/15/36/633391536.db2.gz FWBUTGHZDCXBRL-LLVKDONJSA-N 1 0 271.788 3.211 20 10 CGCDRO CCn1cc([C@@H](C)[NH2+]Cc2cc(Cl)c(C)cc2O)cn1 ZINC000826097273 633405149 /nfs/dbraw/zinc/40/51/49/633405149.db2.gz WURUGICCXYUDHB-LLVKDONJSA-N 1 0 293.798 3.421 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)C2)cc1 ZINC000826844915 633437031 /nfs/dbraw/zinc/43/70/31/633437031.db2.gz BVFSMYMDGTWVST-IDCJVQTKSA-N 1 0 286.419 3.052 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](CCF)C2)c1 ZINC000827271592 633477541 /nfs/dbraw/zinc/47/75/41/633477541.db2.gz RUMUSHPTURIGLK-ZDUSSCGKSA-N 1 0 281.371 3.363 20 10 CGCDRO Cc1cc(CN2CCO[C@H](C)C2)ccc1N1CCCCC1 ZINC000827288504 633478725 /nfs/dbraw/zinc/47/87/25/633478725.db2.gz YDIIOYPAPBZLMS-MRXNPFEDSA-N 1 0 288.435 3.206 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2CC[C@@H](C)O[C@@H](C)C2)cc1Cl ZINC000827371465 633485997 /nfs/dbraw/zinc/48/59/97/633485997.db2.gz VLKPPKSBNCHPHV-NEPJUHHUSA-N 1 0 283.799 3.353 20 10 CGCDRO Cc1ccc(O)c(C[NH+]2CCC(c3ccon3)CC2)c1 ZINC000827628903 633504244 /nfs/dbraw/zinc/50/42/44/633504244.db2.gz AICUONJBUPEWGI-UHFFFAOYSA-N 1 0 272.348 3.068 20 10 CGCDRO C[C@@H](O)[C@H]([NH2+]Cc1c(O)cccc1Cl)c1ccccc1 ZINC000827856835 633525343 /nfs/dbraw/zinc/52/53/43/633525343.db2.gz TWUSSYXFZPEWCI-BZNIZROVSA-N 1 0 291.778 3.257 20 10 CGCDRO CC[N@H+](CCCO)Cc1ccc(N2CCCCC2)c(C)c1 ZINC000827938232 633537600 /nfs/dbraw/zinc/53/76/00/633537600.db2.gz KKHGYHRLQYPSIV-UHFFFAOYSA-N 1 0 290.451 3.190 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(C)ccc2O)c1 ZINC000845973447 636126179 /nfs/dbraw/zinc/12/61/79/636126179.db2.gz ZTCNIEAINRZFMH-LBPRGKRZSA-N 1 0 287.359 3.266 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cc(O)ccc1F ZINC000872017496 633937893 /nfs/dbraw/zinc/93/78/93/633937893.db2.gz ATRVSCXLXNXWPB-GFCCVEGCSA-N 1 0 288.366 3.448 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C)[C@@H]1CCCOC1 ZINC000872034295 633953219 /nfs/dbraw/zinc/95/32/19/633953219.db2.gz JCKMZEAPPCQYOI-SJLPKXTDSA-N 1 0 290.451 3.356 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@H]3CCC[C@@H]3O2)c(O)c1 ZINC000872109296 634033947 /nfs/dbraw/zinc/03/39/47/634033947.db2.gz KYTKYEBYCSPRAF-LOUJCGABSA-N 1 0 275.392 3.309 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1)c1cc(F)ccc1O ZINC000872110014 634035349 /nfs/dbraw/zinc/03/53/49/634035349.db2.gz UZNBMXOHISFHIQ-XALPAYFRSA-N 1 0 279.355 3.140 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2nccnc2C)c1 ZINC000872133661 634056395 /nfs/dbraw/zinc/05/63/95/634056395.db2.gz OFLFDUCZGPTTCJ-WCQYABFASA-N 1 0 271.364 3.211 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]CCOc1ccc(F)cc1)CC2 ZINC000834534380 634177106 /nfs/dbraw/zinc/17/71/06/634177106.db2.gz NMYIVDWTUGAYAY-HNNXBMFYSA-N 1 0 287.334 3.187 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000834588395 634191485 /nfs/dbraw/zinc/19/14/85/634191485.db2.gz BMSRWNLOXMBBNQ-BBRMVZONSA-N 1 0 284.407 3.053 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@H]1OCCc3ccccc31)CC2 ZINC000834645277 634207331 /nfs/dbraw/zinc/20/73/31/634207331.db2.gz AFEUNSBXYLVFBF-FUHWJXTLSA-N 1 0 295.382 3.283 20 10 CGCDRO CCCCN(C)C[C@@H](C)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834803902 634244940 /nfs/dbraw/zinc/24/49/40/634244940.db2.gz ZXRMRNNHWVZABD-HIFRSBDPSA-N 1 0 276.424 3.090 20 10 CGCDRO CCCOc1ccc(C[NH2+]C(C)(C)[C@@H](C)O)cc1C ZINC000873096936 634245314 /nfs/dbraw/zinc/24/53/14/634245314.db2.gz BDSUSJAAEXBIEG-CYBMUJFWSA-N 1 0 265.397 3.033 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+][C@H]2CCn3ccnc32)c(O)c1 ZINC000834831071 634252104 /nfs/dbraw/zinc/25/21/04/634252104.db2.gz HUUJFJXHQDXVQC-OLZOCXBDSA-N 1 0 271.364 3.001 20 10 CGCDRO COc1ccc(C[NH2+]C[C@@H]2C[C@@H]3CCC[C@H]3O2)cc1C ZINC000873154812 634261962 /nfs/dbraw/zinc/26/19/62/634261962.db2.gz BFICSMNNNGVPAG-YQQAZPJKSA-N 1 0 275.392 3.051 20 10 CGCDRO CCn1ccnc1[C@H](C)[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000834896109 634273467 /nfs/dbraw/zinc/27/34/67/634273467.db2.gz UQCLXWGABYYASF-STQMWFEESA-N 1 0 273.380 3.329 20 10 CGCDRO CCCc1ncc(C[NH2+][C@H](C)c2ccc(C)cc2O)o1 ZINC000834898495 634274170 /nfs/dbraw/zinc/27/41/70/634274170.db2.gz FGAZWQPTUDMLKU-GFCCVEGCSA-N 1 0 274.364 3.492 20 10 CGCDRO CC[C@H]([NH2+]CC1(CC)COC1)c1ccc(N(C)C)cc1 ZINC000834900006 634277003 /nfs/dbraw/zinc/27/70/03/634277003.db2.gz MLWHNKGXHXJULW-INIZCTEOSA-N 1 0 276.424 3.220 20 10 CGCDRO CCC1(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)COC1 ZINC000834900324 634277033 /nfs/dbraw/zinc/27/70/33/634277033.db2.gz PCOMQHJDVJBFGU-LLVKDONJSA-N 1 0 283.799 3.431 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]CCC1CC(F)(F)C1)CC2 ZINC000834910726 634285444 /nfs/dbraw/zinc/28/54/44/634285444.db2.gz YSCXXMHYRCIGHS-GFCCVEGCSA-N 1 0 267.319 3.405 20 10 CGCDRO CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccccc1O ZINC000834914686 634286641 /nfs/dbraw/zinc/28/66/41/634286641.db2.gz VYQJAOCLVSTZLQ-JGGQBBKZSA-N 1 0 263.381 3.391 20 10 CGCDRO CN(C)c1ccc(/C=C/C[N@H+](C)[C@@H](CO)C(C)(C)C)cc1 ZINC000835028655 634325343 /nfs/dbraw/zinc/32/53/43/634325343.db2.gz OJWCXHZNIPXSSX-OZSKJFCKSA-N 1 0 290.451 3.105 20 10 CGCDRO COC[C@@H]1CCC[N@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835028916 634325623 /nfs/dbraw/zinc/32/56/23/634325623.db2.gz NGSSRDOUHRVJOD-UKINESCASA-N 1 0 288.435 3.124 20 10 CGCDRO CCOCC(C)(C)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835056232 634340213 /nfs/dbraw/zinc/34/02/13/634340213.db2.gz RVDBTHLEBHXIKS-FPLPWBNLSA-N 1 0 276.424 3.171 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H](CO)Cc2ccc(C)c(C)c2)c1 ZINC000835073043 634345033 /nfs/dbraw/zinc/34/50/33/634345033.db2.gz IYOQOGVAWLCIPS-SFHVURJKSA-N 1 0 299.414 3.011 20 10 CGCDRO COc1ccc(C[N@H+](C)Cc2ccc(C)cc2O)cc1 ZINC000876531836 634851544 /nfs/dbraw/zinc/85/15/44/634851544.db2.gz QOOQTAVDXGITGU-UHFFFAOYSA-N 1 0 271.360 3.341 20 10 CGCDRO Cc1cccc(O)c1C[N@H+](C)Cc1ccccc1O ZINC000876615637 634869022 /nfs/dbraw/zinc/86/90/22/634869022.db2.gz JSWIYDRVYVAUSB-UHFFFAOYSA-N 1 0 257.333 3.038 20 10 CGCDRO Cc1ccc(CN2CCC[N@@H+](C(C)(C)C)CC2)c(O)c1 ZINC000876651195 634876043 /nfs/dbraw/zinc/87/60/43/634876043.db2.gz RQKUXWKPFPJUOI-UHFFFAOYSA-N 1 0 276.424 3.007 20 10 CGCDRO Cc1ccc(C[N@H+]2CCS[C@@H](C)[C@@H]2C)c(O)c1 ZINC000876750134 634892484 /nfs/dbraw/zinc/89/24/84/634892484.db2.gz OGQQYQNWQKHIEW-RYUDHWBXSA-N 1 0 251.395 3.026 20 10 CGCDRO Cc1ccc(C[NH+]2CCN(c3cccs3)CC2)c(O)c1 ZINC000876771441 634897151 /nfs/dbraw/zinc/89/71/51/634897151.db2.gz SAKPDOYENOBEGC-UHFFFAOYSA-N 1 0 288.416 3.084 20 10 CGCDRO Cc1ccc(C[NH2+][C@H](C)CCc2cccn2C)c(O)c1 ZINC000877042523 634961422 /nfs/dbraw/zinc/96/14/22/634961422.db2.gz SESMXKOGPAKRSU-CQSZACIVSA-N 1 0 272.392 3.150 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(C)cc1O)c1nccs1 ZINC000877053088 634964935 /nfs/dbraw/zinc/96/49/35/634964935.db2.gz CFCLFYZICLSKNZ-LBPRGKRZSA-N 1 0 262.378 3.398 20 10 CGCDRO Cc1nc(C[NH2+]Cc2c(C)cccc2O)sc1C ZINC000877064247 634968221 /nfs/dbraw/zinc/96/82/21/634968221.db2.gz OXMAVCKOEJYADI-UHFFFAOYSA-N 1 0 262.378 3.064 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]C[C@]1(C)CCCS1 ZINC000877083546 634978205 /nfs/dbraw/zinc/97/82/05/634978205.db2.gz DEPQOAXASNWGEF-AWEZNQCLSA-N 1 0 251.395 3.076 20 10 CGCDRO Cc1ccc(C[NH2+]C[C@@H](C[C@H](C)O)c2ccccc2)c(O)c1 ZINC000877093302 634982696 /nfs/dbraw/zinc/98/26/96/634982696.db2.gz HXRKACGIMITRPJ-MAUKXSAKSA-N 1 0 299.414 3.345 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]Cc1ccc2c(c1)COC2 ZINC000877097170 634983866 /nfs/dbraw/zinc/98/38/66/634983866.db2.gz CKJAFCYGVADYFB-UHFFFAOYSA-N 1 0 269.344 3.021 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]CC[C@@H]1COc2ccccc2O1 ZINC000877110072 634985759 /nfs/dbraw/zinc/98/57/59/634985759.db2.gz LYULYNOPLPJBTJ-CQSZACIVSA-N 1 0 299.370 3.020 20 10 CGCDRO CCOCCC1(C[NH2+]Cc2c(C)cccc2O)CCC1 ZINC000877109757 634985861 /nfs/dbraw/zinc/98/58/61/634985861.db2.gz FNMOAVGSQFPIMT-UHFFFAOYSA-N 1 0 277.408 3.387 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000877472609 635049734 /nfs/dbraw/zinc/04/97/34/635049734.db2.gz XIMXXRADLBGXEX-UHFFFAOYSA-N 1 0 286.331 3.207 20 10 CGCDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@H]1CCc2cccc(O)c21 ZINC000840845511 635063028 /nfs/dbraw/zinc/06/30/28/635063028.db2.gz AWKMVVSLWBOSEL-FCEWJHQRSA-N 1 0 295.382 3.282 20 10 CGCDRO Cc1ccc(C[NH2+]CC[C@@H]2C[C@@H](C)O[C@@H](C)C2)c(O)c1 ZINC000877504758 635065178 /nfs/dbraw/zinc/06/51/78/635065178.db2.gz KCUQKDZEOKRQSB-QDMKHBRRSA-N 1 0 277.408 3.384 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H](C)c2c(F)cncc2F)c(O)c1 ZINC000877520572 635069923 /nfs/dbraw/zinc/06/99/23/635069923.db2.gz BLSGLCFEIUMXSX-JTQLQIEISA-N 1 0 278.302 3.225 20 10 CGCDRO Cc1n[nH]cc1CCC[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840875229 635070516 /nfs/dbraw/zinc/07/05/16/635070516.db2.gz KJJAALXGDGAGTD-UHFFFAOYSA-N 1 0 293.798 3.108 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000877524412 635071954 /nfs/dbraw/zinc/07/19/54/635071954.db2.gz XLKPXWDOIJROLA-MRXNPFEDSA-N 1 0 268.360 3.433 20 10 CGCDRO COCC1CCC([NH2+][C@H](C)c2ccccc2O)CC1 ZINC000840882391 635073174 /nfs/dbraw/zinc/07/31/74/635073174.db2.gz VFQFJXUPZRVTGG-IYXRBSQSSA-N 1 0 263.381 3.248 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)[C@@H](O)C(C)C ZINC000840882126 635073650 /nfs/dbraw/zinc/07/36/50/635073650.db2.gz MKWAMVRJFRQNTP-XEGUGMAKSA-N 1 0 285.815 3.492 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC23CCC3)c1 ZINC000877533508 635076194 /nfs/dbraw/zinc/07/61/94/635076194.db2.gz PKJMLAYNVKCVAZ-XHDPSFHLSA-N 1 0 261.365 3.384 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](CO)C2)c2c1c(F)ccc2O ZINC000840894985 635078380 /nfs/dbraw/zinc/07/83/80/635078380.db2.gz GPYDQUXRCPYGLQ-NMKXLXIOSA-N 1 0 293.382 3.220 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCc2ccncc2)c(Cl)c1 ZINC000840905741 635079061 /nfs/dbraw/zinc/07/90/61/635079061.db2.gz AEFAQQQMVXVOAL-UHFFFAOYSA-N 1 0 276.767 3.081 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000840915335 635081710 /nfs/dbraw/zinc/08/17/10/635081710.db2.gz PIJNMANHRWUPQY-UHFFFAOYSA-N 1 0 298.434 3.164 20 10 CGCDRO Cc1ccc(C[N@@H+]2CC3(CCOCC3)[C@@H]2C2CC2)c(O)c1 ZINC000877552870 635086909 /nfs/dbraw/zinc/08/69/09/635086909.db2.gz HOZNOXFJNIHQNP-KRWDZBQOSA-N 1 0 287.403 3.092 20 10 CGCDRO COc1ccc(C[N@H+](C)Cc2ccc(N(C)C)cc2C)cn1 ZINC000840940055 635087161 /nfs/dbraw/zinc/08/71/61/635087161.db2.gz UVKQNKVONQLHMR-UHFFFAOYSA-N 1 0 299.418 3.097 20 10 CGCDRO CC[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2C)CCCO1 ZINC000840942388 635088033 /nfs/dbraw/zinc/08/80/33/635088033.db2.gz FTRYBLMHOJHYHU-KRWDZBQOSA-N 1 0 276.424 3.062 20 10 CGCDRO CCC[C@]1(CO)CC[N@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000840946453 635089611 /nfs/dbraw/zinc/08/96/11/635089611.db2.gz KPPSVZIVSPOOOT-SFHVURJKSA-N 1 0 290.451 3.046 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H]2C[C@@H]2C(F)F)c(Cl)c1 ZINC000840946818 635089682 /nfs/dbraw/zinc/08/96/82/635089682.db2.gz VNGIVQOFNQNOKG-XVKPBYJWSA-N 1 0 261.699 3.097 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCC(C)(F)F)c(Cl)c1 ZINC000840949626 635090298 /nfs/dbraw/zinc/09/02/98/635090298.db2.gz ZWVJNJZECLXWDB-UHFFFAOYSA-N 1 0 263.715 3.489 20 10 CGCDRO CO[C@H](C[NH2+]Cc1c(C)cccc1O)Cc1ccccc1 ZINC000877559573 635090308 /nfs/dbraw/zinc/09/03/08/635090308.db2.gz ZYMBUSASAJFTIK-INIZCTEOSA-N 1 0 285.387 3.048 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CC[C@@H](O)c1ccccc1 ZINC000840949037 635090857 /nfs/dbraw/zinc/09/08/57/635090857.db2.gz OPXIQZGHQRXTTI-LJQANCHMSA-N 1 0 298.430 3.274 20 10 CGCDRO Cc1ccc(C[NH2+]C[C@H]2CCCC2(F)F)c(O)c1 ZINC000877565702 635094446 /nfs/dbraw/zinc/09/44/46/635094446.db2.gz OEJIBSXRPOWTOD-GFCCVEGCSA-N 1 0 255.308 3.226 20 10 CGCDRO COC1([C@@H](C)[NH2+]C/C=C\c2ccc(N(C)C)cc2)CCC1 ZINC000840970136 635096683 /nfs/dbraw/zinc/09/66/83/635096683.db2.gz QAWBMQIOMDENOM-ZQMJAJRESA-N 1 0 288.435 3.313 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1nccs1 ZINC000840977502 635098770 /nfs/dbraw/zinc/09/87/70/635098770.db2.gz UXWDSYXNPNJCCE-CYBMUJFWSA-N 1 0 289.448 3.238 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CC(C)(C)c2cccnc2)cc1 ZINC000840976959 635099386 /nfs/dbraw/zinc/09/93/86/635099386.db2.gz ZSTRVMGOZDMEKH-UHFFFAOYSA-N 1 0 283.419 3.215 20 10 CGCDRO CCOC[C@@H]1CCCC[N@@H+]1Cc1ccc(C)cc1O ZINC000877584855 635102574 /nfs/dbraw/zinc/10/25/74/635102574.db2.gz JUIKEGFGMGRUCY-HNNXBMFYSA-N 1 0 263.381 3.092 20 10 CGCDRO Cc1ccc(C[N@@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)c(O)c1 ZINC000877588571 635104442 /nfs/dbraw/zinc/10/44/42/635104442.db2.gz SRYGOIQFOQYCPC-DLBZAZTESA-N 1 0 283.371 3.009 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]CCC[C@@H]1CCO1 ZINC000877592534 635105130 /nfs/dbraw/zinc/10/51/30/635105130.db2.gz QCEFXXDPDUOUMG-CRAIPNDOSA-N 1 0 290.451 3.151 20 10 CGCDRO CCC1CCC([NH2+]C[C@H](N)c2ccc(N(C)C)cc2)CC1 ZINC000841041760 635112187 /nfs/dbraw/zinc/11/21/87/635112187.db2.gz BIDUXEOFDWWYIS-PVARCSIZSA-N 1 0 289.467 3.311 20 10 CGCDRO CC(C)C[C@H](C)C[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000841042013 635113577 /nfs/dbraw/zinc/11/35/77/635113577.db2.gz JCQMTPQIKBWDDR-YOEHRIQHSA-N 1 0 277.456 3.024 20 10 CGCDRO Cc1cc(O)c(CNc2ccc(C[NH3+])cc2)cc1C ZINC000841057655 635116567 /nfs/dbraw/zinc/11/65/67/635116567.db2.gz BXSQSFNWXICNLH-UHFFFAOYSA-N 1 0 256.349 3.080 20 10 CGCDRO CCOc1ccc(O)c(CNc2ccc(C[NH2+]C)cc2)c1 ZINC000841071216 635117709 /nfs/dbraw/zinc/11/77/09/635117709.db2.gz KXKXCHUEIBRQRK-UHFFFAOYSA-N 1 0 286.375 3.122 20 10 CGCDRO Cc1ccc(C[NH2+]C[C@H]2C(C)(C)C2(F)F)c(O)c1 ZINC000877636229 635125403 /nfs/dbraw/zinc/12/54/03/635125403.db2.gz QQEKBRRJVSSGRG-LBPRGKRZSA-N 1 0 255.308 3.082 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]C[C@@H]1C(C)(C)C1(F)F ZINC000877636282 635125428 /nfs/dbraw/zinc/12/54/28/635125428.db2.gz RQFPGZXMAFXINF-GFCCVEGCSA-N 1 0 255.308 3.082 20 10 CGCDRO CCn1nc(C)c(C[N@H+](C)Cc2c(C)cccc2O)c1C ZINC000877664340 635137537 /nfs/dbraw/zinc/13/75/37/635137537.db2.gz OFPAPTSETOBKES-UHFFFAOYSA-N 1 0 287.407 3.166 20 10 CGCDRO CCOc1cccc(C[NH+]2CC(c3ccccc3)C2)c1O ZINC000877665850 635138772 /nfs/dbraw/zinc/13/87/72/635138772.db2.gz LMBXQVACXMEIJZ-UHFFFAOYSA-N 1 0 283.371 3.390 20 10 CGCDRO Cc1ncc([C@H](C)[NH2+]Cc2ccc(C)cc2O)s1 ZINC000877685223 635145154 /nfs/dbraw/zinc/14/51/54/635145154.db2.gz QDGSEGABAXDGIC-JTQLQIEISA-N 1 0 262.378 3.316 20 10 CGCDRO Cc1cccc(C[NH2+][C@H](C2CCC2)[C@H]2CCCO2)c1O ZINC000877701367 635152770 /nfs/dbraw/zinc/15/27/70/635152770.db2.gz SKUOTKOCRLJHTL-HZPDHXFCSA-N 1 0 275.392 3.138 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccnn1CC1CCC1)c1ccccc1O ZINC000877755520 635184592 /nfs/dbraw/zinc/18/45/92/635184592.db2.gz DCUDUUNITMPTBC-CYBMUJFWSA-N 1 0 285.391 3.240 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H](C)c2ccccc2O)c1O ZINC000877757186 635185641 /nfs/dbraw/zinc/18/56/41/635185641.db2.gz MGDNOFZAXYHMLZ-LBPRGKRZSA-N 1 0 287.359 3.347 20 10 CGCDRO COc1cc(C[NH2+][C@@H](C)c2ccccc2O)cc(OC)c1 ZINC000877756337 635185849 /nfs/dbraw/zinc/18/58/49/635185849.db2.gz HYLBUWSDQSEGSX-LBPRGKRZSA-N 1 0 287.359 3.260 20 10 CGCDRO COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccccc2O)[C@@H]1C ZINC000877757979 635186748 /nfs/dbraw/zinc/18/67/48/635186748.db2.gz BMEGREYUNLGWEZ-OSFYFWSMSA-N 1 0 291.391 3.021 20 10 CGCDRO Cc1ccc(C[NH2+]C2([C@H]3CCCCO3)CCC2)c(O)c1 ZINC000877771271 635198259 /nfs/dbraw/zinc/19/82/59/635198259.db2.gz MLYOPUOOMDDHDL-MRXNPFEDSA-N 1 0 275.392 3.282 20 10 CGCDRO Cc1csc([C@H]2CC[N@H+](Cc3cccc(C)c3O)C2)n1 ZINC000877813278 635218932 /nfs/dbraw/zinc/21/89/32/635218932.db2.gz JVWLCYWVIIMQDE-AWEZNQCLSA-N 1 0 288.416 3.455 20 10 CGCDRO CC(C)C[C@@H](CO)[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841744199 635222341 /nfs/dbraw/zinc/22/23/41/635222341.db2.gz FTWNQOVUVUUERE-JQWIXIFHSA-N 1 0 271.788 3.103 20 10 CGCDRO CO[C@@H](C[NH2+][C@H](C)c1ccc(Cl)cc1O)C(F)(F)F ZINC000841749874 635225204 /nfs/dbraw/zinc/22/52/04/635225204.db2.gz IUGMVGWHBYPCEX-HQJQHLMTSA-N 1 0 297.704 3.274 20 10 CGCDRO CO[C@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1O)C(F)(F)F ZINC000841749876 635225578 /nfs/dbraw/zinc/22/55/78/635225578.db2.gz IUGMVGWHBYPCEX-WRWORJQWSA-N 1 0 297.704 3.274 20 10 CGCDRO CC[C@H](C)[C@](C)(O)C[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841757682 635231726 /nfs/dbraw/zinc/23/17/26/635231726.db2.gz FEEDCXJCFWBJOM-ZIBATOQPSA-N 1 0 285.815 3.493 20 10 CGCDRO CC(C)[C@](C)(O)C[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841757197 635231870 /nfs/dbraw/zinc/23/18/70/635231870.db2.gz BUZGFHGZCDUIOV-IINYFYTJSA-N 1 0 271.788 3.103 20 10 CGCDRO CC[C@@H]([NH2+]CC1(N(C)C)CC1)c1cc(Cl)ccc1O ZINC000841761572 635233046 /nfs/dbraw/zinc/23/30/46/635233046.db2.gz HEMGHNWPQXXMTR-CYBMUJFWSA-N 1 0 282.815 3.181 20 10 CGCDRO Cc1ncccc1OC[C@@H]1CCC[N@@H+]1Cc1ccccc1O ZINC000841900038 635250619 /nfs/dbraw/zinc/25/06/19/635250619.db2.gz ZDFFCWDSKQPHOZ-INIZCTEOSA-N 1 0 298.386 3.139 20 10 CGCDRO CC[N@H+](CCSC)Cc1cc2c(cc1O)CCC2 ZINC000842643361 635426626 /nfs/dbraw/zinc/42/66/26/635426626.db2.gz BNGHRIBKNOHEMV-UHFFFAOYSA-N 1 0 265.422 3.066 20 10 CGCDRO CC[C@H](C)C[C@@H](CO)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000842756816 635461711 /nfs/dbraw/zinc/46/17/11/635461711.db2.gz OXPSTBZVVUGERU-PDZIMXBZSA-N 1 0 290.451 3.153 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1CCCC(C)(C)O1)c1ccccc1O ZINC000878354099 635473449 /nfs/dbraw/zinc/47/34/49/635473449.db2.gz BIPLPNWWLLUCQQ-STQMWFEESA-N 1 0 263.381 3.391 20 10 CGCDRO CC[C@@H]1C[C@H](CN2CCCc3cc(C[NH3+])ccc32)CCO1 ZINC000843058204 635553026 /nfs/dbraw/zinc/55/30/26/635553026.db2.gz OOOUVYMBOAACLT-NVXWUHKLSA-N 1 0 288.435 3.103 20 10 CGCDRO Cc1ccccc1NC(=O)CC[NH2+][C@@H](C)c1ccccc1O ZINC000879650891 635828337 /nfs/dbraw/zinc/82/83/37/635828337.db2.gz VQVGVRXBLZXJRC-AWEZNQCLSA-N 1 0 298.386 3.380 20 10 CGCDRO C[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000105505013 635872125 /nfs/dbraw/zinc/87/21/25/635872125.db2.gz ZEIHHNBVRWFVSX-BXKDBHETSA-N 1 0 284.197 3.433 20 10 CGCDRO CC[C@@H]1C[N@H+](Cc2cc(C)cc(OC)c2O)[C@H](CC)CO1 ZINC000844724826 635957388 /nfs/dbraw/zinc/95/73/88/635957388.db2.gz FGJSOKPGIQSODY-HUUCEWRRSA-N 1 0 293.407 3.099 20 10 CGCDRO COc1cc(C)cc(C[NH+]2CCC3(CC3(F)F)CC2)c1O ZINC000844726015 635957533 /nfs/dbraw/zinc/95/75/33/635957533.db2.gz TZZUCTNBOVMTTK-UHFFFAOYSA-N 1 0 297.345 3.330 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CNc2ccccc2C1 ZINC000844906591 635980749 /nfs/dbraw/zinc/98/07/49/635980749.db2.gz UTNMPSNEZDIDQN-KRWDZBQOSA-N 1 0 295.430 3.187 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CNc2ccccc2C1)c1ccccc1O ZINC000844921845 635985306 /nfs/dbraw/zinc/98/53/06/635985306.db2.gz VMMCYBDFDXIVHT-HOCLYGCPSA-N 1 0 282.387 3.470 20 10 CGCDRO CC[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1cccc(Cl)c1[O-] ZINC000844927396 635987176 /nfs/dbraw/zinc/98/71/76/635987176.db2.gz ZSIQDZUSAKOCOY-OAHLLOKOSA-N 1 0 296.842 3.476 20 10 CGCDRO COc1ccc(C[N@H+](C)Cc2ccccc2O)c(F)c1 ZINC000845905705 636117211 /nfs/dbraw/zinc/11/72/11/636117211.db2.gz JPBHUBKFPMCWFG-UHFFFAOYSA-N 1 0 275.323 3.172 20 10 CGCDRO CC[C@@]1(C)CCC[C@@H]1[NH2+]Cc1ccc(OC)cc1O ZINC000845966072 636124809 /nfs/dbraw/zinc/12/48/09/636124809.db2.gz FAIBFBXYFMWJHA-HOTGVXAUSA-N 1 0 263.381 3.459 20 10 CGCDRO CC[C@H]([NH2+]Cc1cc(C2CC2)nn1C)c1ccccc1O ZINC000845992286 636127790 /nfs/dbraw/zinc/12/77/90/636127790.db2.gz ICVOYZDVUSAWGY-HNNXBMFYSA-N 1 0 285.391 3.244 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@H](OC(C)C)C1 ZINC000846014793 636129745 /nfs/dbraw/zinc/12/97/45/636129745.db2.gz VQKSGHGREIOMEE-SFHVURJKSA-N 1 0 290.451 3.450 20 10 CGCDRO Cc1ccc(CCC[NH2+]Cc2cc(Cl)ccc2O)cn1 ZINC000846054478 636138863 /nfs/dbraw/zinc/13/88/63/636138863.db2.gz BXLGGCBSICNWBW-UHFFFAOYSA-N 1 0 290.794 3.471 20 10 CGCDRO CC(C)(C)c1n[nH]cc1C[NH2+]Cc1cc(Cl)ccc1O ZINC000846059087 636140827 /nfs/dbraw/zinc/14/08/27/636140827.db2.gz XVXWOWBOGMNHAI-UHFFFAOYSA-N 1 0 293.798 3.356 20 10 CGCDRO CCOc1ccc(C[NH2+][C@H](C)C(C)(C)C)c(O)c1 ZINC000846107143 636144172 /nfs/dbraw/zinc/14/41/72/636144172.db2.gz GDPGPTXZSIZKDD-LLVKDONJSA-N 1 0 251.370 3.315 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]CCOC2CCCCC2)c1O ZINC000846141460 636149011 /nfs/dbraw/zinc/14/90/11/636149011.db2.gz JDIADJVVCUEDQD-ZDUSSCGKSA-N 1 0 293.407 3.401 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](C)C(C)C)c1O ZINC000846142721 636149199 /nfs/dbraw/zinc/14/91/99/636149199.db2.gz CCELGESRAGGURE-VXGBXAGGSA-N 1 0 251.370 3.344 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](OC)C(C)(C)C)c1O ZINC000846149118 636149652 /nfs/dbraw/zinc/14/96/52/636149652.db2.gz VXHRKOFKAPYFEF-BXUZGUMPSA-N 1 0 281.396 3.113 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCOC(C)(C)C2)c1O ZINC000846156741 636150277 /nfs/dbraw/zinc/15/02/77/636150277.db2.gz HHFVXQQZXSRPNG-VXGBXAGGSA-N 1 0 279.380 3.009 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]Cc2ccc(Cl)o2)c1O ZINC000846158736 636150491 /nfs/dbraw/zinc/15/04/91/636150491.db2.gz KHIUJNYEIFPQSG-VIFPVBQESA-N 1 0 281.739 3.498 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@H]2CCO[C@@H](C3CC3)C2)c1O ZINC000846165688 636151137 /nfs/dbraw/zinc/15/11/37/636151137.db2.gz XQGSEHQSBOFHRZ-DETPVDSQSA-N 1 0 291.391 3.009 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H]2CCOC(C)(C)C2)c1O ZINC000846168033 636152181 /nfs/dbraw/zinc/15/21/81/636152181.db2.gz GEQFGLJXMHEAQX-CHWSQXEVSA-N 1 0 293.407 3.257 20 10 CGCDRO CCn1cc([C@H](C)[NH2+][C@@H](C)c2cccc(OC)c2O)cn1 ZINC000846169108 636152758 /nfs/dbraw/zinc/15/27/58/636152758.db2.gz OFCQOZHCPWALKW-RYUDHWBXSA-N 1 0 289.379 3.029 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]Cc2cnc(C)cc2C)c1O ZINC000846169699 636152890 /nfs/dbraw/zinc/15/28/90/636152890.db2.gz RVGWVGAAGPKAQT-CYBMUJFWSA-N 1 0 286.375 3.263 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@H](C)CC(F)F)c1O ZINC000846175142 636153483 /nfs/dbraw/zinc/15/34/83/636153483.db2.gz XDAJOZVWPFPNJY-ZJUUUORDSA-N 1 0 273.323 3.343 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H](C)COCC2CC2)c(O)c1 ZINC000846204562 636158113 /nfs/dbraw/zinc/15/81/13/636158113.db2.gz MTXFJZDGDWCQHG-OLZOCXBDSA-N 1 0 263.381 3.166 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]CC1(C2CC2)CC1 ZINC000130681225 636498924 /nfs/dbraw/zinc/49/89/24/636498924.db2.gz YHWFZIAYKYQNAQ-UHFFFAOYSA-N 1 0 251.757 3.325 20 10 CGCDRO CCC[N@H+](CC(=O)Nc1ccccc1)Cc1ccccc1O ZINC000130727979 636504983 /nfs/dbraw/zinc/50/49/83/636504983.db2.gz CKYBTIONJWAFLW-UHFFFAOYSA-N 1 0 298.386 3.243 20 10 CGCDRO CC[C@H]([NH2+]CC1(CO)CCCCC1)c1ccccc1O ZINC000130812564 636517642 /nfs/dbraw/zinc/51/76/42/636517642.db2.gz HQAXAIXJKCCKCH-HNNXBMFYSA-N 1 0 277.408 3.376 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2c3ccccc3C[C@@H]2O)c(O)c1C ZINC000848565792 636608869 /nfs/dbraw/zinc/60/88/69/636608869.db2.gz MGBGGVWGSSNOFS-BVGQSLNGSA-N 1 0 297.398 3.318 20 10 CGCDRO Oc1cc2c(cc1C[NH2+]CC[C@@H]1CCCC1(F)F)OCO2 ZINC000883266027 636636967 /nfs/dbraw/zinc/63/69/67/636636967.db2.gz QHXHDTOTMZRKIC-NSHDSACASA-N 1 0 299.317 3.036 20 10 CGCDRO Oc1cc2c(cc1C[NH2+]CC[C@H]1CCCC1(F)F)OCO2 ZINC000883266026 636637582 /nfs/dbraw/zinc/63/75/82/636637582.db2.gz QHXHDTOTMZRKIC-LLVKDONJSA-N 1 0 299.317 3.036 20 10 CGCDRO C[C@H]1C[C@@H]([NH3+])CCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000131442721 636656422 /nfs/dbraw/zinc/65/64/22/636656422.db2.gz NHMMWPFAFQJMKW-KWQFWETISA-N 1 0 289.206 3.011 20 10 CGCDRO CCc1cccc(CN2CCC[C@H]([NH+]3CCCC3)C2)c1O ZINC000848881354 636670011 /nfs/dbraw/zinc/67/00/11/636670011.db2.gz GUZUVWUODOZKPF-KRWDZBQOSA-N 1 0 288.435 3.015 20 10 CGCDRO COC[C@H]1C[C@@H]([NH2+][C@H](C)c2ccc(C)c(C)c2O)C1 ZINC000883319508 636670627 /nfs/dbraw/zinc/67/06/27/636670627.db2.gz DZUVWDHLUYMEJI-MCIONIFRSA-N 1 0 263.381 3.085 20 10 CGCDRO Cc1c(C[N@H+](Cc2ccccc2O)C2CCCC2)cnn1C ZINC000131538783 636679396 /nfs/dbraw/zinc/67/93/96/636679396.db2.gz PCSDCSQZZHGAKN-UHFFFAOYSA-N 1 0 299.418 3.379 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H](CC)C2CCOCC2)c1O ZINC000848897380 636679510 /nfs/dbraw/zinc/67/95/10/636679510.db2.gz HUAVATOVRXORPQ-INIZCTEOSA-N 1 0 277.408 3.249 20 10 CGCDRO CCc1cccc(C[NH2+][C@H](C)C[C@H](O)c2ccco2)c1O ZINC000848900729 636681810 /nfs/dbraw/zinc/68/18/10/636681810.db2.gz PRAMOOCJTHQXGG-DOMZBBRYSA-N 1 0 289.375 3.149 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCCCC[C@@H]2CCO)c1O ZINC000848908857 636685553 /nfs/dbraw/zinc/68/55/53/636685553.db2.gz FSIUDGSQVLMWFE-MRXNPFEDSA-N 1 0 277.408 3.082 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)c1O ZINC000848908933 636685599 /nfs/dbraw/zinc/68/55/99/636685599.db2.gz GFHQALVHTQKXIO-CVEARBPZSA-N 1 0 275.392 3.098 20 10 CGCDRO CCc1cccc(C[N@@H+]2C[C@@H](N3CCCC3)C[C@@H]2C)c1O ZINC000848909882 636686545 /nfs/dbraw/zinc/68/65/45/636686545.db2.gz BYVOYNBBQOJHJA-YOEHRIQHSA-N 1 0 288.435 3.013 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@H]2CCOC(C)(C)C2)c1O ZINC000848915523 636688936 /nfs/dbraw/zinc/68/89/36/636688936.db2.gz XANHIBPMRYINHK-ZDUSSCGKSA-N 1 0 277.408 3.249 20 10 CGCDRO CCc1cccc(C[N@@H+]2C[C@H](C)OCC23CCC3)c1O ZINC000848919920 636691447 /nfs/dbraw/zinc/69/14/47/636691447.db2.gz VSPKXVJZOWOJAX-ZDUSSCGKSA-N 1 0 275.392 3.098 20 10 CGCDRO CCC[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C(C)C ZINC000848924165 636695843 /nfs/dbraw/zinc/69/58/43/636695843.db2.gz WBTDJCFOGPQDHS-UHFFFAOYSA-N 1 0 289.467 3.059 20 10 CGCDRO C[C@H]1C[N@H+](Cc2ccccc2O)CC2(CCCCC2)O1 ZINC000848929549 636699961 /nfs/dbraw/zinc/69/99/61/636699961.db2.gz YBKQGPFBROWHLB-AWEZNQCLSA-N 1 0 275.392 3.316 20 10 CGCDRO c1csc(SCCC[NH2+]C(C2CC2)C2CC2)n1 ZINC000132180650 636789031 /nfs/dbraw/zinc/78/90/31/636789031.db2.gz POJVSFUNPNLLGY-UHFFFAOYSA-N 1 0 268.451 3.404 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCCSC1)c1ccc(N(C)C)cc1 ZINC000132437296 636808828 /nfs/dbraw/zinc/80/88/28/636808828.db2.gz WHETWAXSCUOATK-TZMCWYRMSA-N 1 0 264.438 3.299 20 10 CGCDRO CCOC1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000132469371 636811103 /nfs/dbraw/zinc/81/11/03/636811103.db2.gz VCPDHRXSSZRHPF-UHFFFAOYSA-N 1 0 269.772 3.047 20 10 CGCDRO Oc1ccc(Cl)cc1CN1CCC([NH2+]CC2CC2)CC1 ZINC000133615680 636961571 /nfs/dbraw/zinc/96/15/71/636961571.db2.gz LUIPQRQVNDVVNK-UHFFFAOYSA-N 1 0 294.826 3.010 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H](C)c2cscn2)cc1C ZINC000850359917 637028155 /nfs/dbraw/zinc/02/81/55/637028155.db2.gz WCQBTIMJVMTLGF-NSHDSACASA-N 1 0 262.378 3.316 20 10 CGCDRO C[C@@H]([NH2+]Cc1cc(-c2ccccc2)ccc1O)C1(CO)CC1 ZINC000850361194 637029025 /nfs/dbraw/zinc/02/90/25/637029025.db2.gz OPWGPCKHWRVOIR-CQSZACIVSA-N 1 0 297.398 3.310 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CC[C@]2(C)CC2(F)F)cc1F ZINC000850380893 637040275 /nfs/dbraw/zinc/04/02/75/637040275.db2.gz PSKAXZWIAMSTRM-CQSZACIVSA-N 1 0 286.341 3.417 20 10 CGCDRO CCOCc1cc(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)ccc1OC ZINC000850392365 637045478 /nfs/dbraw/zinc/04/54/78/637045478.db2.gz IOMMAUBMVZMEHE-SCAQPMJSSA-N 1 0 275.392 3.120 20 10 CGCDRO Oc1ccccc1C[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000850391384 637045604 /nfs/dbraw/zinc/04/56/04/637045604.db2.gz OMUHCFMWRNUXFV-UHFFFAOYSA-N 1 0 267.319 3.450 20 10 CGCDRO CCOc1ccc(C[NH2+]C[C@@H]2C(C)(C)C2(F)F)c(O)c1 ZINC000850394318 637046521 /nfs/dbraw/zinc/04/65/21/637046521.db2.gz PUDVZXPSPPJTMK-CYBMUJFWSA-N 1 0 285.334 3.172 20 10 CGCDRO CCSC1(C[NH2+]Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000850394263 637047170 /nfs/dbraw/zinc/04/71/70/637047170.db2.gz OAPPYRUUICKULT-UHFFFAOYSA-N 1 0 282.428 3.267 20 10 CGCDRO C[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)C1CCC(F)CC1 ZINC000850396239 637047913 /nfs/dbraw/zinc/04/79/13/637047913.db2.gz RYDSDBJOXUBICN-XSRFYTQQSA-N 1 0 295.354 3.127 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+]CC2SCCS2)cc1 ZINC000850402094 637048977 /nfs/dbraw/zinc/04/89/77/637048977.db2.gz OJBOOMMQSCYWAL-ONEGZZNKSA-N 1 0 294.489 3.162 20 10 CGCDRO C[C@@H](O)[C@H]([NH2+]Cc1cc(Cl)ccc1O)c1ccccc1 ZINC000850419136 637053799 /nfs/dbraw/zinc/05/37/99/637053799.db2.gz BVOVALDKPSINFT-BZNIZROVSA-N 1 0 291.778 3.257 20 10 CGCDRO COC1CC(CC[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)C1 ZINC000850482321 637085718 /nfs/dbraw/zinc/08/57/18/637085718.db2.gz NMUGEJXLMYXGOK-MLCFOIATSA-N 1 0 293.382 3.484 20 10 CGCDRO CC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850487077 637087726 /nfs/dbraw/zinc/08/77/26/637087726.db2.gz FGIVKDXVKVVZQV-RVKKMQEKSA-N 1 0 288.435 3.442 20 10 CGCDRO CCC(CC)[NH2+][C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850486846 637087868 /nfs/dbraw/zinc/08/78/68/637087868.db2.gz DHKXPKGPRTTXEH-AWEZNQCLSA-N 1 0 262.397 3.052 20 10 CGCDRO CC[C@@H](C)CC[NH2+][C@H](C)c1cccc(OC)c1O ZINC000850504805 637093223 /nfs/dbraw/zinc/09/32/23/637093223.db2.gz FPONZBDHKMAEKO-VXGBXAGGSA-N 1 0 251.370 3.488 20 10 CGCDRO C[C@@H]([NH2+][C@H]1COc2cc(F)ccc2C1)c1ccccc1O ZINC000850536314 637112385 /nfs/dbraw/zinc/11/23/85/637112385.db2.gz FIBMPJNNMDVCRC-BXUZGUMPSA-N 1 0 287.334 3.186 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H](CO)CC1CC1)c1cc(Cl)ccc1O ZINC000850543939 637115532 /nfs/dbraw/zinc/11/55/32/637115532.db2.gz BAUUFTCKQNLIPW-SWLSCSKDSA-N 1 0 297.826 3.495 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H](OC)C2CCCC2)c1O ZINC000850561376 637124654 /nfs/dbraw/zinc/12/46/54/637124654.db2.gz JGNILKKBASUNQI-BLLLJJGKSA-N 1 0 293.407 3.257 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCc2ccco2)c1 ZINC000850570236 637127818 /nfs/dbraw/zinc/12/78/18/637127818.db2.gz ROXZRZIXKMCDLY-LBPRGKRZSA-N 1 0 275.348 3.277 20 10 CGCDRO CO[C@@]1(C)C[C@H]1[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000850571301 637128936 /nfs/dbraw/zinc/12/89/36/637128936.db2.gz PHJNIKVKRMQKOF-IUPBHXKESA-N 1 0 269.772 3.182 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H](C)c2nccn2C)cc1 ZINC000850572963 637129683 /nfs/dbraw/zinc/12/96/83/637129683.db2.gz RJOTZDLAUGGXIU-UONOGXRCSA-N 1 0 286.423 3.288 20 10 CGCDRO C[C@H](O)[C@@H]([NH2+][C@@H](C)c1ccccc1O)c1ccccc1 ZINC000850582376 637132877 /nfs/dbraw/zinc/13/28/77/637132877.db2.gz FGAWZYVRILJGLK-GDZNZVCISA-N 1 0 271.360 3.165 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(C)co2)c1 ZINC000886153984 637438771 /nfs/dbraw/zinc/43/87/71/637438771.db2.gz WPGJADOBCWONDU-LLVKDONJSA-N 1 0 261.321 3.153 20 10 CGCDRO C[C@@H]([NH2+]CC1CC=CC1)c1ccc(N2CCOCC2)cc1 ZINC000851898295 637536243 /nfs/dbraw/zinc/53/62/43/637536243.db2.gz UYNMXIZTCGIFDZ-OAHLLOKOSA-N 1 0 286.419 3.140 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1c([O-])cccc1F ZINC000886498909 637543770 /nfs/dbraw/zinc/54/37/70/637543770.db2.gz UPVFFRUWXFGNJU-MEBBXXQBSA-N 1 0 293.313 3.055 20 10 CGCDRO C[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1c([O-])cccc1F ZINC000886498910 637543865 /nfs/dbraw/zinc/54/38/65/637543865.db2.gz UPVFFRUWXFGNJU-ZUZCIYMTSA-N 1 0 293.313 3.055 20 10 CGCDRO CCCC[N@H+](CCOC(F)F)Cc1ccccc1O ZINC000852017920 637571940 /nfs/dbraw/zinc/57/19/40/637571940.db2.gz GXTUGQIMFANKKS-UHFFFAOYSA-N 1 0 273.323 3.234 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2C[C@@H]2[C@H]2C[C@H]2C)c1O ZINC000886694382 637659665 /nfs/dbraw/zinc/65/96/65/637659665.db2.gz UUDWYGLXUKXNSG-SQLGEJSKSA-N 1 0 275.392 3.344 20 10 CGCDRO CCn1nccc1C[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000853241865 637792951 /nfs/dbraw/zinc/79/29/51/637792951.db2.gz YLBUZKHNPQZWRQ-LLVKDONJSA-N 1 0 293.798 3.421 20 10 CGCDRO COc1ccc(OC)c(C[N@H+](C)Cc2ccccc2O)c1 ZINC000111235296 637804079 /nfs/dbraw/zinc/80/40/79/637804079.db2.gz ZYNYFUDBQFKQPP-UHFFFAOYSA-N 1 0 287.359 3.041 20 10 CGCDRO C[C@@H]1C[C@@H](C)[C@H](C)[N@H+](Cc2cc(F)ccc2O)C1 ZINC000300421807 637838250 /nfs/dbraw/zinc/83/82/50/637838250.db2.gz IZJJGFALCQGCCC-UTUOFQBUSA-N 1 0 251.345 3.398 20 10 CGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H](CCF)C1)CCC2 ZINC000853563995 637867802 /nfs/dbraw/zinc/86/78/02/637867802.db2.gz HSFCGGOZIFMXSB-ZDUSSCGKSA-N 1 0 277.383 3.453 20 10 CGCDRO C[NH2+]C[C@H](C)N[C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000854231252 638028749 /nfs/dbraw/zinc/02/87/49/638028749.db2.gz CZWOLNIYXDQXKS-HOTGVXAUSA-N 1 0 289.467 3.326 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CC[C@@H]2CC2(F)F)c(Cl)c1 ZINC000856802406 638391538 /nfs/dbraw/zinc/39/15/38/638391538.db2.gz HVGLZBNDIHSPIH-SECBINFHSA-N 1 0 275.726 3.489 20 10 CGCDRO COc1cccc(O)c1C[NH+]1CC(Cc2ccsc2)C1 ZINC000857068477 638449751 /nfs/dbraw/zinc/44/97/51/638449751.db2.gz WARLESDPFOABEF-UHFFFAOYSA-N 1 0 289.400 3.137 20 10 CGCDRO C[C@@H]([NH2+]CCCSc1nccs1)c1cc[nH]c(=O)c1 ZINC000925101101 638452704 /nfs/dbraw/zinc/45/27/04/638452704.db2.gz FLEWGAMOVRMJBZ-SNVBAGLBSA-N 1 0 295.433 3.077 20 10 CGCDRO Cc1ccc(O[C@H]2CC[N@H+](Cc3cc(C)ccc3O)C2)nc1 ZINC000858011415 638617715 /nfs/dbraw/zinc/61/77/15/638617715.db2.gz NQJVMGUYSQLBQK-INIZCTEOSA-N 1 0 298.386 3.057 20 10 CGCDRO CCC1([NH2+]Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000858170082 638648285 /nfs/dbraw/zinc/64/82/85/638648285.db2.gz BOLZDSWXRKHOCO-UHFFFAOYSA-N 1 0 254.324 3.063 20 10 CGCDRO CC[C@@H]1C[C@@H]([NH2+]Cc2cc(F)c(N(C)C)cc2F)CCO1 ZINC000858180316 638651151 /nfs/dbraw/zinc/65/11/51/638651151.db2.gz QGTYWGCOUSACLY-QWHCGFSZSA-N 1 0 298.377 3.078 20 10 CGCDRO CN(C)c1cc(F)c(C[NH2+]CCCc2ccco2)cc1F ZINC000858194747 638655944 /nfs/dbraw/zinc/65/59/44/638655944.db2.gz IPFUIXOADCEERT-UHFFFAOYSA-N 1 0 294.345 3.346 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2cc(C)c(C)cc2O)c1 ZINC000858237109 638661185 /nfs/dbraw/zinc/66/11/85/638661185.db2.gz GCDOEZRMOBSIPI-UHFFFAOYSA-N 1 0 271.360 3.313 20 10 CGCDRO COc1ccc2c(c1)C[C@H]([NH2+]Cc1cc(C)ccc1O)CC2 ZINC000858239294 638661710 /nfs/dbraw/zinc/66/17/10/638661710.db2.gz LCLLNKQTZMZODI-QGZVFWFLSA-N 1 0 297.398 3.356 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]C[C@]2(C)C[C@H]3C[C@H]3C2)c1 ZINC000858290934 638673068 /nfs/dbraw/zinc/67/30/68/638673068.db2.gz KBPDFFSICLAMRM-FVCICTRLSA-N 1 0 275.392 3.317 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CO[C@H](C3CC3)C2)cc1 ZINC000858545325 638758400 /nfs/dbraw/zinc/75/84/00/638758400.db2.gz CKNROCJOPVHRDX-OWQGQXMQSA-N 1 0 288.435 3.361 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ccc[nH]c2=O)c1O ZINC000858563367 638762356 /nfs/dbraw/zinc/76/23/56/638762356.db2.gz PCGMBHQLRFJAMP-SNVBAGLBSA-N 1 0 292.766 3.305 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](c2cnn(C)c2)C(C)C)c(O)c1 ZINC000927070532 638837927 /nfs/dbraw/zinc/83/79/27/638837927.db2.gz OPEHPIQHEOVXJU-SUMWQHHRSA-N 1 0 287.407 3.482 20 10 CGCDRO C[C@H]([NH2+][C@H](C1CC1)[C@H]1CCCOC1)c1cc(F)ccc1O ZINC000927069844 638838131 /nfs/dbraw/zinc/83/81/31/638838131.db2.gz NJLHVGRMIKTEKW-PLQHRBFRSA-N 1 0 293.382 3.387 20 10 CGCDRO CC(C)[C@@H]([NH2+][C@@H](C)c1ccccc1O)c1cnn(C)c1 ZINC000927072170 638838348 /nfs/dbraw/zinc/83/83/48/638838348.db2.gz WVZUHQQDDRRUNZ-BLLLJJGKSA-N 1 0 273.380 3.174 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]CC[C@@H]1CCC3(CCC3)O1)CC2 ZINC000927123810 638845489 /nfs/dbraw/zinc/84/54/89/638845489.db2.gz BOHBUTQQXIOXQD-LSDHHAIUSA-N 1 0 287.403 3.461 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+][C@H]1c3ccccc3CC[C@H]1O)CC2 ZINC000927139162 638846720 /nfs/dbraw/zinc/84/67/20/638846720.db2.gz JEBWHAJNORPKQU-WDYCEAGBSA-N 1 0 295.382 3.018 20 10 CGCDRO C[C@@H]([NH2+]C1([C@@H]2CCCCO2)CC1)c1ccccc1O ZINC000927158560 638848358 /nfs/dbraw/zinc/84/83/58/638848358.db2.gz BPCFSZBMZYQSRK-DOMZBBRYSA-N 1 0 261.365 3.145 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000930216330 638983352 /nfs/dbraw/zinc/98/33/52/638983352.db2.gz DVWAZQSCSZRQEG-RQJABVFESA-N 1 0 293.407 3.255 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)c1 ZINC000930216186 638983356 /nfs/dbraw/zinc/98/33/56/638983356.db2.gz AJUHDGXHSBFTAM-XYHOJCAOSA-N 1 0 297.345 3.343 20 10 CGCDRO COC(=O)[C@@H]1CCCC[C@@H]1C[NH2+][C@H](C)c1ccccc1O ZINC000931555221 639170346 /nfs/dbraw/zinc/17/03/46/639170346.db2.gz VGHVPAZMWAPIJR-UMVBOHGHSA-N 1 0 291.391 3.022 20 10 CGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@H](C)c2ccns2)c1O ZINC000860054775 639275171 /nfs/dbraw/zinc/27/51/71/639275171.db2.gz UQSNHYOJZCUPAR-MRVPVSSYSA-N 1 0 294.351 3.041 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(C)nc2C)c1 ZINC000187427003 639344633 /nfs/dbraw/zinc/34/46/33/639344633.db2.gz VGFQEJXZPCZKBF-ZDUSSCGKSA-N 1 0 286.375 3.263 20 10 CGCDRO CC(C)(O)c1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000187506001 639666344 /nfs/dbraw/zinc/66/63/44/639666344.db2.gz LWBFJXCNBBKMOD-UHFFFAOYSA-N 1 0 297.398 3.139 20 10 CGCDRO C[N@H+](Cc1ccc(N2CCCCC2)cc1)Cc1cncnc1 ZINC000155244320 639925332 /nfs/dbraw/zinc/92/53/32/639925332.db2.gz NMZZFFOIOAHNBU-UHFFFAOYSA-N 1 0 296.418 3.099 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)cc1)C1CC1 ZINC000155351698 639931391 /nfs/dbraw/zinc/93/13/91/639931391.db2.gz PHKDMEYTAFWFJZ-KDOFPFPSSA-N 1 0 288.435 3.362 20 10 CGCDRO CC[C@@H]1CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000159194275 640035271 /nfs/dbraw/zinc/03/52/71/640035271.db2.gz VBKUTPKSFQOEDT-SNVBAGLBSA-N 1 0 284.197 3.387 20 10 CGCDRO CSCC[C@@H](C)[NH2+]Cc1cc(Cl)ccc1O ZINC000076772308 640216384 /nfs/dbraw/zinc/21/63/84/640216384.db2.gz RXFVTMJCNRJLQZ-SECBINFHSA-N 1 0 259.802 3.277 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]CCc2ccc(F)c(F)c2)c1 ZINC000190293622 640236946 /nfs/dbraw/zinc/23/69/46/640236946.db2.gz WKUVIGSTHGZJGA-UHFFFAOYSA-N 1 0 277.314 3.311 20 10 CGCDRO CC[C@H]([NH2+][C@H](CO)Cc1ccc(C)cc1)c1ccccc1O ZINC000191578957 640320533 /nfs/dbraw/zinc/32/05/33/640320533.db2.gz CMPYUZMTTGEIET-WMZOPIPTSA-N 1 0 299.414 3.345 20 10 CGCDRO C[C@@](O)(C[NH2+]Cc1ccc2c(c1)CCO2)C1CCCCC1 ZINC000191674574 640327315 /nfs/dbraw/zinc/32/73/15/640327315.db2.gz XRHYPCVYEFWOIC-GOSISDBHSA-N 1 0 289.419 3.042 20 10 CGCDRO C[N@H+](Cc1ccc(C#N)c(F)c1)Cc1ccccc1O ZINC000192102812 640348506 /nfs/dbraw/zinc/34/85/06/640348506.db2.gz PODUXDWJHQGJSA-UHFFFAOYSA-N 1 0 270.307 3.035 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]CC1(O)CCCCCC1 ZINC000083748646 640599062 /nfs/dbraw/zinc/59/90/62/640599062.db2.gz DNEYBJBLULTZTE-UHFFFAOYSA-N 1 0 283.799 3.221 20 10 CGCDRO COc1cccc(C[NH2+]C2C[C@H](C)C[C@@H](C)C2)c1O ZINC000084461447 640606848 /nfs/dbraw/zinc/60/68/48/640606848.db2.gz FSESKUCYPKUJKB-VXGBXAGGSA-N 1 0 263.381 3.315 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(C2CC2)C2CC2)c1 ZINC000088455473 640617351 /nfs/dbraw/zinc/61/73/51/640617351.db2.gz IGIIWXUUPUXPLF-LLVKDONJSA-N 1 0 275.392 3.488 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)C[C@H]2CCC[C@@H]2O)cc1 ZINC000091899969 640726447 /nfs/dbraw/zinc/72/64/47/640726447.db2.gz BFGWBDVZAKTZNT-AEFFLSMTSA-N 1 0 290.451 3.126 20 10 CGCDRO Cc1noc(C)c1[C@@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000092328230 640734753 /nfs/dbraw/zinc/73/47/53/640734753.db2.gz IWWOXVKWGKZOCS-VHSXEESVSA-N 1 0 260.337 3.409 20 10 CGCDRO CCOc1cccc(C[N@H+]2C[C@@H](C)S[C@@H](C)C2)c1O ZINC000092540701 640738558 /nfs/dbraw/zinc/73/85/58/640738558.db2.gz GEDNQJNFILWEHG-TXEJJXNPSA-N 1 0 281.421 3.117 20 10 CGCDRO Cc1ccc(O)c(C[NH+]2C[C@@H](C)S[C@H](C)C2)c1 ZINC000092541138 640738709 /nfs/dbraw/zinc/73/87/09/640738709.db2.gz TZQHUZPFQAGXQX-VXGBXAGGSA-N 1 0 251.395 3.026 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCCC[C@@H](N3CCCC3)C2)c1 ZINC000092785802 640745874 /nfs/dbraw/zinc/74/58/74/640745874.db2.gz IITHZLTYCOJQNI-QGZVFWFLSA-N 1 0 288.435 3.151 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)[C@@H](O)Cc1ccccc1 ZINC000248393055 640755334 /nfs/dbraw/zinc/75/53/34/640755334.db2.gz WODADCQSNWUURW-IYOUNJFTSA-N 1 0 285.387 3.035 20 10 CGCDRO CC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1cc(C)ccc1O ZINC000093688123 640779987 /nfs/dbraw/zinc/77/99/87/640779987.db2.gz DPBRASALQDRHRQ-GOSISDBHSA-N 1 0 299.414 3.474 20 10 CGCDRO COc1cccc(C[N@H+](C)[C@@H]2C[C@@](C)(OC)C2(C)C)c1O ZINC000093871834 640784279 /nfs/dbraw/zinc/78/42/79/640784279.db2.gz RYPVKTRKERSEQE-RHSMWYFYSA-N 1 0 293.407 3.036 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CCS[C@H](C(C)C)C2)c1 ZINC000093869309 640784534 /nfs/dbraw/zinc/78/45/34/640784534.db2.gz JMMHNZHLUJMLQI-INIZCTEOSA-N 1 0 295.448 3.364 20 10 CGCDRO Cc1ncc(C[NH2+][C@H](C)c2cc(F)ccc2O)s1 ZINC000094617836 640800287 /nfs/dbraw/zinc/80/02/87/640800287.db2.gz CSQIFLDCMDKVJA-MRVPVSSYSA-N 1 0 266.341 3.147 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cc(F)ccc1O ZINC000094617616 640800489 /nfs/dbraw/zinc/80/04/89/640800489.db2.gz OOJGGQCMONPGMZ-SNVBAGLBSA-N 1 0 290.294 3.290 20 10 CGCDRO COc1ccc(O)c(C[NH2+]CCc2ccc(F)cc2C)c1 ZINC000094951066 640806494 /nfs/dbraw/zinc/80/64/94/640806494.db2.gz YKGPEKJHJRHCDA-UHFFFAOYSA-N 1 0 289.350 3.181 20 10 CGCDRO C[C@H](C[C@H](C)O)[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000252752533 640862593 /nfs/dbraw/zinc/86/25/93/640862593.db2.gz HNKJWDRGANAYJP-FRRDWIJNSA-N 1 0 273.376 3.355 20 10 CGCDRO CCN1CCCC[C@@H]1C[NH2+]Cc1c(O)cccc1Cl ZINC000113341023 640975276 /nfs/dbraw/zinc/97/52/76/640975276.db2.gz KQFHMXNSCDFJHS-GFCCVEGCSA-N 1 0 282.815 3.010 20 10 CGCDRO C[C@H]1C[C@H]([NH2+]CCC2CCOCC2)c2c1c(F)ccc2O ZINC001254722094 806487249 /nfs/dbraw/zinc/48/72/49/806487249.db2.gz YUSJXQRQXGLUHJ-FZMZJTMJSA-N 1 0 293.382 3.486 20 10 CGCDRO CCOC(=O)[C@@H]1CCC[C@H]([NH2+][C@H](C)c2ccccc2O)C1 ZINC001255343868 806622500 /nfs/dbraw/zinc/62/25/00/806622500.db2.gz PKROINZIQCVRQC-MCIONIFRSA-N 1 0 291.391 3.165 20 10 CGCDRO CCOC(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2ccccc2O)C1 ZINC001255345797 806624219 /nfs/dbraw/zinc/62/42/19/806624219.db2.gz PKROINZIQCVRQC-BFHYXJOUSA-N 1 0 291.391 3.165 20 10 CGCDRO CO[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)C1 ZINC001255615815 806681758 /nfs/dbraw/zinc/68/17/58/806681758.db2.gz FAMBUKVMVFLTCT-LSCVPOLPSA-N 1 0 279.355 3.237 20 10 CGCDRO CCOC(=O)C1CCC([NH2+][C@@H](C)c2ccccc2O)CC1 ZINC000037788143 798874338 /nfs/dbraw/zinc/87/43/38/798874338.db2.gz IRNIRUUWAASXBJ-HSBZDZAISA-N 1 0 291.391 3.165 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1Cc2ccccc2O1)c1ccccc1O ZINC000038009481 798883752 /nfs/dbraw/zinc/88/37/52/798883752.db2.gz NNBNOYGIFJXRMY-OCCSQVGLSA-N 1 0 269.344 3.047 20 10 CGCDRO CC(C)CCC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000066970982 798909223 /nfs/dbraw/zinc/90/92/23/798909223.db2.gz HAAKOIAUUHFNLL-UHFFFAOYSA-N 1 0 294.414 3.188 20 10 CGCDRO CC[C@H](C)C[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000093062876 798961704 /nfs/dbraw/zinc/96/17/04/798961704.db2.gz JUVNPDFANNKBMV-AWEZNQCLSA-N 1 0 278.465 3.376 20 10 CGCDRO COc1cccc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)c1O ZINC000132374748 799030530 /nfs/dbraw/zinc/03/05/30/799030530.db2.gz YEDOJHPOOKVNGV-UONOGXRCSA-N 1 0 275.392 3.413 20 10 CGCDRO CN(C)c1ccc(C[NH2+]Cc2cccc3c2NCCC3)cc1 ZINC000316460150 799241336 /nfs/dbraw/zinc/24/13/36/799241336.db2.gz KXYFZZFDSAJWLJ-UHFFFAOYSA-N 1 0 295.430 3.401 20 10 CGCDRO CSCC[C@H](C)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000383926648 799409488 /nfs/dbraw/zinc/40/94/88/799409488.db2.gz AZWOKBFOLWOQIY-CMPLNLGQSA-N 1 0 251.395 3.111 20 10 CGCDRO Cc1ccc(C[C@@H](C)[NH2+]Cc2ccc(O)cc2O)cc1 ZINC001255778088 806746975 /nfs/dbraw/zinc/74/69/75/806746975.db2.gz QUOAWDPHRCEORQ-CYBMUJFWSA-N 1 0 271.360 3.127 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]C[C@@H]2CCCC2(F)F)c1 ZINC000390578615 799471541 /nfs/dbraw/zinc/47/15/41/799471541.db2.gz CKAVWMWGYZDGTJ-LBPRGKRZSA-N 1 0 255.308 3.226 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CC(C)(C)C(C)(C)O)cc1 ZINC000393585567 799488597 /nfs/dbraw/zinc/48/85/97/799488597.db2.gz DFBKQDYMDGTBQT-UHFFFAOYSA-N 1 0 292.467 3.420 20 10 CGCDRO Cc1cccc(C[NH2+]C[C@@H](C)CC(F)(F)F)c1O ZINC000396960737 799512122 /nfs/dbraw/zinc/51/21/22/799512122.db2.gz ZRSQPCQWBTZJBC-VIFPVBQESA-N 1 0 261.287 3.379 20 10 CGCDRO Cc1cc(C)c(C[NH2+]Cc2ccc(N(C)C)cc2)cn1 ZINC000396998785 799512207 /nfs/dbraw/zinc/51/22/07/799512207.db2.gz YUJMKLXKQNJZTC-UHFFFAOYSA-N 1 0 269.392 3.054 20 10 CGCDRO Cc1cccc(C[NH2+]C[C@H](C)CC(F)(F)F)c1O ZINC000396960736 799512476 /nfs/dbraw/zinc/51/24/76/799512476.db2.gz ZRSQPCQWBTZJBC-SECBINFHSA-N 1 0 261.287 3.379 20 10 CGCDRO CC(C)CSCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000397318834 799515704 /nfs/dbraw/zinc/51/57/04/799515704.db2.gz RZTLKRFHTSBTAR-ZDUSSCGKSA-N 1 0 265.422 3.358 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CSC[C@@H]2C)c(O)c1 ZINC000397873430 799522018 /nfs/dbraw/zinc/52/20/18/799522018.db2.gz GSPWAQSBMOQRRD-GMXVVIOVSA-N 1 0 251.395 3.103 20 10 CGCDRO CCOc1cccc(C[N@@H+]2C[C@H](C)[C@H](C)[C@@H]2C)c1O ZINC000399625459 799539301 /nfs/dbraw/zinc/53/93/01/799539301.db2.gz SOEAILJQPCQSSJ-AVGNSLFASA-N 1 0 263.381 3.267 20 10 CGCDRO COc1cccc(C[N@H+](C)CCC(C)(C)C)c1O ZINC000399681464 799540763 /nfs/dbraw/zinc/54/07/63/799540763.db2.gz QTGCFIOMZLAILV-UHFFFAOYSA-N 1 0 251.370 3.269 20 10 CGCDRO C[C@H]([NH2+]CCC[C@@H]1CCOC1)c1ccc(N(C)C)cc1 ZINC000402250829 799561195 /nfs/dbraw/zinc/56/11/95/799561195.db2.gz ABQPBHWHDZITAQ-LSDHHAIUSA-N 1 0 276.424 3.220 20 10 CGCDRO CC[C@H]1COC(C)(C)C[N@@H+]1Cc1cccc(C)c1O ZINC000403821207 799572293 /nfs/dbraw/zinc/57/22/93/799572293.db2.gz LSMROZWTCFANMS-AWEZNQCLSA-N 1 0 263.381 3.090 20 10 CGCDRO COC(C)(C)C[N@H+](C)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000404306594 799575726 /nfs/dbraw/zinc/57/57/26/799575726.db2.gz KEECJAYMZIMEDX-UHFFFAOYSA-N 1 0 299.798 3.105 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@]2(C)CC2(F)F)c1 ZINC000689214292 799762212 /nfs/dbraw/zinc/76/22/12/799762212.db2.gz OSNQKVJKBWSKGB-GWCFXTLKSA-N 1 0 255.308 3.397 20 10 CGCDRO CC[C@H]([NH2+]CCc1ccc(C)cn1)c1ccccc1O ZINC000689495306 799765840 /nfs/dbraw/zinc/76/58/40/799765840.db2.gz UFPCSGFGKWKNEM-INIZCTEOSA-N 1 0 270.376 3.379 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CC[C@@H](C)SC1)c1ccccc1O ZINC000689608176 799766127 /nfs/dbraw/zinc/76/61/27/799766127.db2.gz HCTZFSABFBWDAJ-UTUOFQBUSA-N 1 0 251.395 3.327 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H]2CCOC(C)(C)C2)c1O ZINC000691433322 799783582 /nfs/dbraw/zinc/78/35/82/799783582.db2.gz DZCUXIHZEODXGR-CQSZACIVSA-N 1 0 263.381 3.002 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@H]2CCCC2(F)F)c1O ZINC000691438669 799784173 /nfs/dbraw/zinc/78/41/73/799784173.db2.gz RCLXZNVGINSNKI-CYBMUJFWSA-N 1 0 269.335 3.480 20 10 CGCDRO CCc1cccc(C[NH2+]CCCC(F)(F)F)c1O ZINC000691495470 799785648 /nfs/dbraw/zinc/78/56/48/799785648.db2.gz SEHWBCKKDIQDTC-UHFFFAOYSA-N 1 0 261.287 3.387 20 10 CGCDRO CCSC1(C[NH2+][C@@H](C)c2cc(F)ccc2O)CC1 ZINC000691802131 799787239 /nfs/dbraw/zinc/78/72/39/799787239.db2.gz XSYHELMFFWVGNZ-JTQLQIEISA-N 1 0 269.385 3.468 20 10 CGCDRO CCOC1(C)CC[NH+](Cc2cccc(CC)c2O)CC1 ZINC000692093822 799791641 /nfs/dbraw/zinc/79/16/41/799791641.db2.gz UOTNDJMWZJJETH-UHFFFAOYSA-N 1 0 277.408 3.346 20 10 CGCDRO CCC(C)(C)[C@@H](C)[NH2+]Cc1cccc(OC)c1O ZINC000695106470 799825713 /nfs/dbraw/zinc/82/57/13/799825713.db2.gz KLLODQGBCSOYPP-LLVKDONJSA-N 1 0 251.370 3.315 20 10 CGCDRO c1cc(N2CCCCC2)ccc1C[NH2+]CC1CSC1 ZINC000697987405 799850983 /nfs/dbraw/zinc/85/09/83/799850983.db2.gz LYQAHYBOHSBZJV-UHFFFAOYSA-N 1 0 276.449 3.130 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](C)CC(F)F)c1 ZINC000700074600 799868144 /nfs/dbraw/zinc/86/81/44/799868144.db2.gz NHYFAGXLUBYYPM-ZJUUUORDSA-N 1 0 273.323 3.343 20 10 CGCDRO C[C@H]([NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C)c1ccc(N(C)C)cc1 ZINC000701021632 799882704 /nfs/dbraw/zinc/88/27/04/799882704.db2.gz SYKZHLISZDQSKT-RBUCKAEESA-N 1 0 276.424 3.215 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CC[C@@H]2CC2(F)F)c(O)c1 ZINC000701948392 799899445 /nfs/dbraw/zinc/89/94/45/799899445.db2.gz VJNNIACIBIODDD-WDEREUQCSA-N 1 0 255.308 3.397 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CC[C@H]2CC2(F)F)c(O)c1 ZINC000701948390 799899634 /nfs/dbraw/zinc/89/96/34/799899634.db2.gz VJNNIACIBIODDD-QWRGUYRKSA-N 1 0 255.308 3.397 20 10 CGCDRO COc1cccc(C[N@@H+]2CCCC(F)(F)CC2)c1O ZINC000702767306 799912650 /nfs/dbraw/zinc/91/26/50/799912650.db2.gz IXGKHKRCOKRHMN-UHFFFAOYSA-N 1 0 271.307 3.022 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CC2SCCS2)cc1 ZINC000703008000 799917792 /nfs/dbraw/zinc/91/77/92/799917792.db2.gz DVYJFNRGYMVHFV-UHFFFAOYSA-N 1 0 296.505 3.429 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C2CCC(C)(O)CC2)c1 ZINC000703544508 799926095 /nfs/dbraw/zinc/92/60/95/799926095.db2.gz OUWXUZRCDGYUJB-VEAWUBTESA-N 1 0 263.381 3.045 20 10 CGCDRO c1cc(C[NH2+]C[C@@H]2CCCC23CC3)cc2c1OCC2 ZINC000706206941 799958941 /nfs/dbraw/zinc/95/89/41/799958941.db2.gz KSZLNVCTVFGYTC-HNNXBMFYSA-N 1 0 257.377 3.291 20 10 CGCDRO c1cc(C[NH2+]C[C@H]2CCCC23CC3)cc2c1OCC2 ZINC000706206942 799959735 /nfs/dbraw/zinc/95/97/35/799959735.db2.gz KSZLNVCTVFGYTC-OAHLLOKOSA-N 1 0 257.377 3.291 20 10 CGCDRO CCCO[C@@H]1CC[N@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000706503049 799963152 /nfs/dbraw/zinc/96/31/52/799963152.db2.gz BBVAZOASTZJCMH-CYBMUJFWSA-N 1 0 299.798 3.055 20 10 CGCDRO Oc1cccc(Br)c1C[NH2+][C@H]1CC=CCC1 ZINC000706847080 799967276 /nfs/dbraw/zinc/96/72/76/799967276.db2.gz VJCVCWSZVBOJLK-JTQLQIEISA-N 1 0 282.181 3.353 20 10 CGCDRO C[C@@H]1CC[C@H]1[NH2+]Cc1c(O)cccc1Br ZINC000706829136 799967321 /nfs/dbraw/zinc/96/73/21/799967321.db2.gz MAHNBXKSZSRDIF-LDYMZIIASA-N 1 0 270.170 3.043 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1CCC(C)(C)CO1)c1ccccc1O ZINC000711236561 800051678 /nfs/dbraw/zinc/05/16/78/800051678.db2.gz ILLIUGGKYBYCAQ-STQMWFEESA-N 1 0 263.381 3.248 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCC3(CCC3)O2)c1 ZINC000711458565 800060406 /nfs/dbraw/zinc/06/04/06/800060406.db2.gz YGWLVTWTGUAELJ-UONOGXRCSA-N 1 0 275.392 3.453 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)cc1 ZINC001256015076 806805833 /nfs/dbraw/zinc/80/58/33/806805833.db2.gz CHVPDQCWRZPQQC-WMZOPIPTSA-N 1 0 288.435 3.144 20 10 CGCDRO COc1cccc(C[NH2+]CC2C[C@H]3CC[C@@H](C2)S3)c1O ZINC000716065345 800164140 /nfs/dbraw/zinc/16/41/40/800164140.db2.gz QXHBLPLBJYJHJO-QXMXGUDHSA-N 1 0 293.432 3.165 20 10 CGCDRO CCc1cccc(C[NH2+]Cc2cnc(Cl)s2)c1O ZINC000718148244 800212754 /nfs/dbraw/zinc/21/27/54/800212754.db2.gz ODWLLVQIBNWUED-UHFFFAOYSA-N 1 0 282.796 3.354 20 10 CGCDRO CCc1cccc(C[NH2+][C@H](CC)[C@@H]2CCCOC2)c1O ZINC000723958170 800346059 /nfs/dbraw/zinc/34/60/59/800346059.db2.gz DNVZXTRLQUUVEK-HZPDHXFCSA-N 1 0 277.408 3.249 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+][C@H](C1CC1)[C@@H]1CCCOC1 ZINC000723996865 800350228 /nfs/dbraw/zinc/35/02/28/800350228.db2.gz PYPVGNLRAABGLX-MLGOLLRUSA-N 1 0 295.810 3.340 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)c1cc(F)ccc1O)[C@@H]1CCCOC1 ZINC000724011053 800352537 /nfs/dbraw/zinc/35/25/37/800352537.db2.gz KBVJETYKMTVODV-JMSVASOKSA-N 1 0 281.371 3.387 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](CCO)C2CCCC2)c1 ZINC000725070895 800371143 /nfs/dbraw/zinc/37/11/43/800371143.db2.gz OAHGLKZMMKGOKW-CZUORRHYSA-N 1 0 277.408 3.292 20 10 CGCDRO COC[C@@H]1CCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001116442932 802349085 /nfs/dbraw/zinc/34/90/85/802349085.db2.gz YHYIYVDYNVGZDI-QGZVFWFLSA-N 1 0 288.435 3.145 20 10 CGCDRO Oc1ccc(C[NH2+][C@@H]2CCO[C@@H](c3ccccc3)C2)cc1O ZINC001256791957 806979108 /nfs/dbraw/zinc/97/91/08/806979108.db2.gz GOHSEPBPIMNYMY-CRAIPNDOSA-N 1 0 299.370 3.108 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CCc1nccnc1C ZINC001117751162 802487171 /nfs/dbraw/zinc/48/71/71/802487171.db2.gz POMWQFYNTRXOGZ-IUODEOHRSA-N 1 0 297.402 3.180 20 10 CGCDRO CCn1ccc(C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3C)n1 ZINC001118008084 802519093 /nfs/dbraw/zinc/51/90/93/802519093.db2.gz XSYMTEFGGAVTMU-TZMCWYRMSA-N 1 0 285.391 3.255 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccnc(F)c1)c1ccc(N(C)C)cc1 ZINC001118805432 802605832 /nfs/dbraw/zinc/60/58/32/802605832.db2.gz ZALZVPQPDIRBNF-GFCCVEGCSA-N 1 0 273.355 3.138 20 10 CGCDRO COc1cccc(F)c1C[NH2+][C@@H](C)c1ccccc1O ZINC001120243657 802735735 /nfs/dbraw/zinc/73/57/35/802735735.db2.gz ASKVDILULUGLQT-NSHDSACASA-N 1 0 275.323 3.391 20 10 CGCDRO Nc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)cc1 ZINC001120371447 802742674 /nfs/dbraw/zinc/74/26/74/802742674.db2.gz GDLULIAWERUTCA-WBVHZDCISA-N 1 0 274.408 3.050 20 10 CGCDRO [O-]c1cccc(F)c1C[N@@H+]1CC[C@H]1c1ccccc1 ZINC001137839119 803780954 /nfs/dbraw/zinc/78/09/54/803780954.db2.gz RRVMEKWBPBPGFH-HNNXBMFYSA-N 1 0 257.308 3.478 20 10 CGCDRO CC[N@@H+]1CCN(Cc2c(C)n(C)c3ccccc32)C(C)(C)C1 ZINC001138259839 803885463 /nfs/dbraw/zinc/88/54/63/803885463.db2.gz OWSOHJHCUVRSHH-UHFFFAOYSA-N 1 0 299.462 3.403 20 10 CGCDRO CN1CCCc2cc(CN3CCC(F)(F)[C@H](F)C3)ccc21 ZINC001138354723 803900597 /nfs/dbraw/zinc/90/05/97/803900597.db2.gz RMZTZUCQCNGRNJ-OAHLLOKOSA-N 1 0 298.352 3.248 20 10 CGCDRO CN1CCCc2cc(C[N@H+](C)Cc3cccnc3)ccc21 ZINC001138354703 803900959 /nfs/dbraw/zinc/90/09/59/803900959.db2.gz QTGVAUJXHWWWHX-UHFFFAOYSA-N 1 0 281.403 3.096 20 10 CGCDRO CN1CCCc2cc(C[N@@H+]3CCC[C@H](CF)C3)ccc21 ZINC001138357824 803902476 /nfs/dbraw/zinc/90/24/76/803902476.db2.gz LVMYZEIMCKLHPJ-OAHLLOKOSA-N 1 0 276.399 3.251 20 10 CGCDRO CC(C)[NH+](Cc1ccc(N2CCOCC2)cc1)C(C)C ZINC001138494797 803953414 /nfs/dbraw/zinc/95/34/14/803953414.db2.gz LIBNKPSAPGTLCO-UHFFFAOYSA-N 1 0 276.424 3.142 20 10 CGCDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@@H](C(F)F)C1 ZINC001140055099 804364134 /nfs/dbraw/zinc/36/41/34/804364134.db2.gz IPJXOHVTXLFOOR-SECBINFHSA-N 1 0 259.271 3.008 20 10 CGCDRO Oc1cccc(Cl)c1C[NH+]1CCC2(CCCOC2)CC1 ZINC001140341913 804420083 /nfs/dbraw/zinc/42/00/83/804420083.db2.gz KQUXHRWJOBYLJG-UHFFFAOYSA-N 1 0 295.810 3.438 20 10 CGCDRO Oc1cc(Cl)ccc1C[NH+]1CCC2(CC2)CC1 ZINC001140462232 804440585 /nfs/dbraw/zinc/44/05/85/804440585.db2.gz BFEOPVJPRSMFFX-UHFFFAOYSA-N 1 0 251.757 3.422 20 10 CGCDRO Oc1cccc2c1C[N@H+](Cc1ccc(Cl)cc1O)CC2 ZINC001140465578 804443025 /nfs/dbraw/zinc/44/30/25/804443025.db2.gz NWUSMIWOXVZKHN-UHFFFAOYSA-N 1 0 289.762 3.310 20 10 CGCDRO Cc1ccc(O)c(CN2CC[C@H](C)C(F)(F)C2)c1 ZINC001140619994 804476477 /nfs/dbraw/zinc/47/64/77/804476477.db2.gz YMPBVQNKMXPJPK-NSHDSACASA-N 1 0 255.308 3.178 20 10 CGCDRO Cc1ccc(O)c(C[N@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)c1 ZINC001140619777 804476952 /nfs/dbraw/zinc/47/69/52/804476952.db2.gz OGZIHSDBWHPJGG-BETUJISGSA-N 1 0 267.319 3.178 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H](Oc3ccncc3)C2)c1 ZINC001140624528 804477675 /nfs/dbraw/zinc/47/76/75/804477675.db2.gz ZWTFGCUSMLFODL-KRWDZBQOSA-N 1 0 298.386 3.139 20 10 CGCDRO CCCC1CC[NH+](Cc2ccc(O)c(C)c2O)CC1 ZINC001140745603 804503198 /nfs/dbraw/zinc/50/31/98/804503198.db2.gz MIKPTKDZMCQUJM-UHFFFAOYSA-N 1 0 263.381 3.418 20 10 CGCDRO Cc1ccc2c(c1)C[N@@H+](Cc1ccc(O)c(C)c1O)CC2 ZINC001140742517 804503478 /nfs/dbraw/zinc/50/34/78/804503478.db2.gz QPJIBDQRVBYOPP-UHFFFAOYSA-N 1 0 283.371 3.273 20 10 CGCDRO Cc1c(O)ccc(C[N@H+](C)Cc2ccccc2F)c1O ZINC001140745311 804503698 /nfs/dbraw/zinc/50/36/98/804503698.db2.gz FGCMFXGUKRHBCV-UHFFFAOYSA-N 1 0 275.323 3.177 20 10 CGCDRO Cc1c(O)ccc(CN2Cc3ccc(F)cc3C2)c1O ZINC001140749214 804505309 /nfs/dbraw/zinc/50/53/09/804505309.db2.gz RREYYDSWJLZFCT-UHFFFAOYSA-N 1 0 273.307 3.061 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@@](C)(O)C2)c(Cl)c1 ZINC001140921550 804548997 /nfs/dbraw/zinc/54/89/97/804548997.db2.gz HNLLVWLFUCHBBB-MRXNPFEDSA-N 1 0 296.842 3.143 20 10 CGCDRO CN(C)c1ccc(C[NH+]2CCC3(CCO3)CC2)c(Cl)c1 ZINC001140924662 804550969 /nfs/dbraw/zinc/55/09/69/804550969.db2.gz LFNJEDRGTWCGQD-UHFFFAOYSA-N 1 0 294.826 3.161 20 10 CGCDRO Cc1ccc(C[N@H+](C)Cc2cccc(F)c2)c(O)c1 ZINC001140948170 804556423 /nfs/dbraw/zinc/55/64/23/804556423.db2.gz WGBWEONIIIXAJD-UHFFFAOYSA-N 1 0 259.324 3.472 20 10 CGCDRO Cc1ccc(C[NH+]2CCC(Oc3cccnc3)CC2)c(O)c1 ZINC001140949703 804556935 /nfs/dbraw/zinc/55/69/35/804556935.db2.gz ISEIZKIROCJYTI-UHFFFAOYSA-N 1 0 298.386 3.139 20 10 CGCDRO Cc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)C2)c(O)c1 ZINC001140950757 804557976 /nfs/dbraw/zinc/55/79/76/804557976.db2.gz GXGYMSTZOIBTOJ-NSHDSACASA-N 1 0 259.271 3.085 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H]3CCC[C@H]32)c(OC)c1 ZINC001141029174 804574947 /nfs/dbraw/zinc/57/49/47/804574947.db2.gz LEOWCPZCJWFOKC-IUODEOHRSA-N 1 0 291.391 3.174 20 10 CGCDRO CCC[NH+](CCC)Cc1ccc2c(c1)OCCN2C ZINC001141139025 804597091 /nfs/dbraw/zinc/59/70/91/804597091.db2.gz GRBVQHQEYNVGKE-UHFFFAOYSA-N 1 0 262.397 3.137 20 10 CGCDRO Oc1ccc(O)c(C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)c1 ZINC001141160027 804599981 /nfs/dbraw/zinc/59/99/81/804599981.db2.gz PKIYAPZARHIDMO-HNNXBMFYSA-N 1 0 283.371 3.162 20 10 CGCDRO COc1ccccc1[C@H](C)[N@H+](C)Cc1cc(O)ccc1O ZINC001141161794 804601446 /nfs/dbraw/zinc/60/14/46/804601446.db2.gz YMVJCANBXVYMND-LBPRGKRZSA-N 1 0 287.359 3.299 20 10 CGCDRO CC[N@H+](CCOC)Cc1cccc(C(C)(C)C)c1O ZINC001143104095 804801128 /nfs/dbraw/zinc/80/11/28/804801128.db2.gz PJDZAYYYHXINBD-UHFFFAOYSA-N 1 0 265.397 3.158 20 10 CGCDRO CCC[N@H+](Cc1ccc(CC(=O)OC)cc1O)[C@H](C)CC ZINC001249171509 805104367 /nfs/dbraw/zinc/10/43/67/805104367.db2.gz CTLCTFPMOSVDEA-CYBMUJFWSA-N 1 0 293.407 3.118 20 10 CGCDRO CCN(Cc1ccccc1O)c1cc2[nH]ccc2c[nH+]1 ZINC001154889670 805505850 /nfs/dbraw/zinc/50/58/50/805505850.db2.gz CVWLCYXWWPNIIS-UHFFFAOYSA-N 1 0 267.332 3.295 20 10 CGCDRO CSCC[C@H](C)[NH2+]Cc1c(C)cc(C)cc1O ZINC001258206457 807363764 /nfs/dbraw/zinc/36/37/64/807363764.db2.gz HYLOKFXCSICFDM-LBPRGKRZSA-N 1 0 253.411 3.240 20 10 CGCDRO Oc1ccc(C[NH2+][C@@H]2Cc3cccc(Cl)c3C2)cc1O ZINC001168702379 807489707 /nfs/dbraw/zinc/48/97/07/807489707.db2.gz UBOHCZBWSVSIGD-GFCCVEGCSA-N 1 0 289.762 3.008 20 10 CGCDRO CCCCC[C@@H](CCC)[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001258661599 807529245 /nfs/dbraw/zinc/52/92/45/807529245.db2.gz TYNPEZDXNDSGRN-PBHICJAKSA-N 1 0 295.423 3.470 20 10 CGCDRO CC(C)([NH3+])c1ccc(NCc2ccc(N)cc2)cc1 ZINC001262487938 807868318 /nfs/dbraw/zinc/86/83/18/807868318.db2.gz KNDPDSZFIZGHSS-UHFFFAOYSA-N 1 0 255.365 3.075 20 10 CGCDRO COc1ccc(C[NH2+][C@H](C)CCOC(C)C)cc1C ZINC001172441755 808316209 /nfs/dbraw/zinc/31/62/09/808316209.db2.gz PNSHFIGTRGLNRZ-CQSZACIVSA-N 1 0 265.397 3.297 20 10 CGCDRO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC001178284764 809857396 /nfs/dbraw/zinc/85/73/96/809857396.db2.gz ALEZWRRIHUPVKL-DLBZAZTESA-N 1 0 289.419 3.305 20 10 CGCDRO C[C@@H]([NH2+]Cc1c[nH]nc1-c1cccnc1)c1ccccc1O ZINC001179489114 809925405 /nfs/dbraw/zinc/92/54/05/809925405.db2.gz FPTJLRTVJYNILL-GFCCVEGCSA-N 1 0 294.358 3.028 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CC(C)(C)CO2)c(Cl)c1 ZINC001179516172 809927943 /nfs/dbraw/zinc/92/79/43/809927943.db2.gz RDRKHSDREKNNNR-NSHDSACASA-N 1 0 283.799 3.259 20 10 CGCDRO CC(C)SCCN(C)c1ccc(OCC[NH+](C)C)cc1 ZINC001180664635 810017491 /nfs/dbraw/zinc/01/74/91/810017491.db2.gz HFKKZWCWKZVMAB-UHFFFAOYSA-N 1 0 296.480 3.205 20 10 CGCDRO COc1cc(C)c(C[NH2+]CC[C@H]2CCO[C@@H](C)C2)c(O)c1 ZINC001180810615 810023422 /nfs/dbraw/zinc/02/34/22/810023422.db2.gz NWOSKCUAUQXSMT-KBPBESRZSA-N 1 0 293.407 3.004 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+][C@]23C[C@H]2COC3(C)C)c1 ZINC001182891056 810128990 /nfs/dbraw/zinc/12/89/90/810128990.db2.gz ILAXLIOMVNICIN-WMLDXEAASA-N 1 0 275.392 3.173 20 10 CGCDRO Oc1cc(Cl)ccc1C[NH2+][C@@H](C1CCC1)[C@H]1CCOC1 ZINC001183406116 810148281 /nfs/dbraw/zinc/14/82/81/810148281.db2.gz BXEUMEGPXYEYHD-BBRMVZONSA-N 1 0 295.810 3.340 20 10 CGCDRO CCC(CC)[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001184218314 810182912 /nfs/dbraw/zinc/18/29/12/810182912.db2.gz MCYYBWMJGYCVJG-KRWDZBQOSA-N 1 0 277.456 3.134 20 10 CGCDRO CCCOc1ccc(C[NH2+]C[C@@H]2CCCN2CC)cc1C ZINC001198907743 811552180 /nfs/dbraw/zinc/55/21/80/811552180.db2.gz FWOJLKNAKNQICO-KRWDZBQOSA-N 1 0 290.451 3.358 20 10 CGCDRO COc1ccc(N2CC[NH+](CC(C)(C)C)CC2)c(C)c1 ZINC001201442354 811849671 /nfs/dbraw/zinc/84/96/71/811849671.db2.gz YAUUMQSRRHWDSQ-UHFFFAOYSA-N 1 0 276.424 3.172 20 10 CGCDRO CCOCCC1(C[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001201599977 811918692 /nfs/dbraw/zinc/91/86/92/811918692.db2.gz FCUMRWWXFMBUFT-UHFFFAOYSA-N 1 0 277.408 3.300 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CC[C@@H]2CCCS2)cc1F ZINC001203276192 812287435 /nfs/dbraw/zinc/28/74/35/812287435.db2.gz JQUFOOFFQNZXLJ-ZDUSSCGKSA-N 1 0 282.428 3.267 20 10 CGCDRO COc1cccc(C[N@@H+]2CCC[C@H](C)[C@@H](C)C2)c1O ZINC001203586106 812401208 /nfs/dbraw/zinc/40/12/08/812401208.db2.gz YLXWDSGRWNNSAI-STQMWFEESA-N 1 0 263.381 3.269 20 10 CGCDRO COc1cccc(C[NH+]2CCC3(CC(F)(F)C3)CC2)c1O ZINC001203589093 812401549 /nfs/dbraw/zinc/40/15/49/812401549.db2.gz DESAQUQMGWMQRR-UHFFFAOYSA-N 1 0 297.345 3.412 20 10 CGCDRO CCC[N@H+](Cc1cc(OC)ccc1O)[C@H](C)CC ZINC001203665893 812423117 /nfs/dbraw/zinc/42/31/17/812423117.db2.gz ZYRLNVRSVJLOHK-GFCCVEGCSA-N 1 0 251.370 3.411 20 10 CGCDRO CC[N@H+](Cc1cccs1)Cc1ccc(O)c(O)c1 ZINC001203879183 812478031 /nfs/dbraw/zinc/47/80/31/812478031.db2.gz GTUAWCPWTDSXOG-UHFFFAOYSA-N 1 0 263.362 3.181 20 10 CGCDRO Cc1ccc(CC[N@@H+](C)Cc2ccc(O)c(O)c2)cc1 ZINC001203882734 812479923 /nfs/dbraw/zinc/47/99/23/812479923.db2.gz SVFXDBLYBLVUHZ-UHFFFAOYSA-N 1 0 271.360 3.081 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)C[C@@H]2Cc3ccccc3O2)cc1 ZINC001203937306 812497199 /nfs/dbraw/zinc/49/71/99/812497199.db2.gz UMASMLSZPJXELY-SFHVURJKSA-N 1 0 296.414 3.188 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCCC23COC3)c2ccccc21 ZINC001204241331 812583418 /nfs/dbraw/zinc/58/34/18/812583418.db2.gz FIFNLLYUOSBEAD-UHFFFAOYSA-N 1 0 296.414 3.271 20 10 CGCDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)[C@H]1CC[C@H](O)CC1 ZINC001204326325 812614892 /nfs/dbraw/zinc/61/48/92/812614892.db2.gz XBLOYQXDTMKFMR-SAABIXHNSA-N 1 0 288.435 3.022 20 10 CGCDRO Cc1cc(O)c(CN2CC[NH+](C(C)(C)C)CC2)cc1Cl ZINC001204704657 812713764 /nfs/dbraw/zinc/71/37/64/812713764.db2.gz FXSYVSIBONBXBZ-UHFFFAOYSA-N 1 0 296.842 3.270 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(CN2CCCC[C@@H]2C[NH3+])cc1 ZINC001204924831 812777887 /nfs/dbraw/zinc/77/78/87/812777887.db2.gz AVGOUCCFVOZFJE-LJQANCHMSA-N 1 0 297.446 3.407 20 10 CGCDRO CC[C@@H]1CO[C@@H](C)C[N@@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC001205178583 812900375 /nfs/dbraw/zinc/90/03/75/812900375.db2.gz XCJIOPMNUNMOGU-WWJLMDQWSA-N 1 0 288.435 3.265 20 10 CGCDRO CC(C)c1ccc(O)c(C[N@H+]2CCC[C@H]([C@H](C)O)C2)c1 ZINC001205341019 812962864 /nfs/dbraw/zinc/96/28/64/812962864.db2.gz RIEXXEDTXHQLDX-ZFWWWQNUSA-N 1 0 277.408 3.108 20 10 CGCDRO CCc1cccc(C[N@@H+]2C[C@@H](C)OC3(CCCC3)C2)c1O ZINC001206544852 813346152 /nfs/dbraw/zinc/34/61/52/813346152.db2.gz OYAMISBWGROMCM-CQSZACIVSA-N 1 0 289.419 3.488 20 10 CGCDRO CC[N@H+](Cc1cncc(C)c1)Cc1ccccc1O ZINC001207162416 813501533 /nfs/dbraw/zinc/50/15/33/813501533.db2.gz JRBXRXQGWSNHGR-UHFFFAOYSA-N 1 0 256.349 3.118 20 10 CGCDRO CC[C@@H](C[C@@H](C)O)[NH2+]Cc1cc(C(C)C)ccc1O ZINC001207225763 813518829 /nfs/dbraw/zinc/51/88/29/813518829.db2.gz PHHBAQKVQMWHOJ-DOMZBBRYSA-N 1 0 265.397 3.155 20 10 CGCDRO C[N@@H+](Cc1ccccc1O)C[C@@H]1CCOC(C)(C)C1 ZINC001207362741 813551614 /nfs/dbraw/zinc/55/16/14/813551614.db2.gz JRYWDAXUFAVBGZ-CYBMUJFWSA-N 1 0 263.381 3.029 20 10 CGCDRO Oc1cccc2c1C[N@H+](CCc1ccccc1F)CC2 ZINC001207504386 813580446 /nfs/dbraw/zinc/58/04/46/813580446.db2.gz MLDOMSVRPWGRIL-UHFFFAOYSA-N 1 0 271.335 3.132 20 10 CGCDRO CN(c1cccc(-c2cccnc2)c1)c1cc(N)cc[nH+]1 ZINC001211143285 814837406 /nfs/dbraw/zinc/83/74/06/814837406.db2.gz SEXPCEYXASMUDL-UHFFFAOYSA-N 1 0 276.343 3.494 20 10 CGCDRO CCc1[nH]nc2ncc(-c3[nH+]ccc4c3ccn4C)cc12 ZINC001242821312 823143875 /nfs/dbraw/zinc/14/38/75/823143875.db2.gz GONRYRORRGCKGR-UHFFFAOYSA-N 1 0 277.331 3.074 20 10 CGCDRO Nc1ccc(CO[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC001217822554 815970720 /nfs/dbraw/zinc/97/07/20/815970720.db2.gz FPDWBPIOVPSHNW-IBGZPJMESA-N 1 0 296.414 3.450 20 10 CGCDRO CCC[C@@H](CC)Oc1ccc(N2CC[NH2+]CC2)cc1 ZINC001218212972 816130412 /nfs/dbraw/zinc/13/04/12/816130412.db2.gz BTIIUXYPINCIQJ-OAHLLOKOSA-N 1 0 262.397 3.054 20 10 CGCDRO O=C1C=CC(=NNc2ccccn2)C(O[C@@H]2CCC[NH2+]C2)=C1 ZINC001218282918 816151902 /nfs/dbraw/zinc/15/19/02/816151902.db2.gz FLZWQNBOMNTILR-ZIPFOMIPSA-N 1 0 298.346 3.333 20 10 CGCDRO CCC[N@H+](CCOC)Cc1c(O)ccc2ccccc21 ZINC001231587633 818129411 /nfs/dbraw/zinc/12/94/11/818129411.db2.gz GCAQLBKDUJSNIP-UHFFFAOYSA-N 1 0 273.376 3.404 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCCC[C@@H]2CN2CCCC2)c1O ZINC001231592337 818131357 /nfs/dbraw/zinc/13/13/57/818131357.db2.gz KJPOZSZQNZFRIC-QGZVFWFLSA-N 1 0 288.435 3.151 20 10 CGCDRO COc1cc(C[NH+]2CCCCCCCC2)c(O)cc1O ZINC001231639593 818143515 /nfs/dbraw/zinc/14/35/15/818143515.db2.gz VUBQMPCPFKNLPG-UHFFFAOYSA-N 1 0 279.380 3.263 20 10 CGCDRO COc1cc(C[N@@H+]2CCC[C@H]2c2ccccc2)c(O)cc1O ZINC001231635421 818143839 /nfs/dbraw/zinc/14/38/39/818143839.db2.gz IKDCEKISQWCIRO-HNNXBMFYSA-N 1 0 299.370 3.444 20 10 CGCDRO COc1cc(C[N@H+](Cc2ccccc2)C2CC2)c(O)cc1O ZINC001231638000 818143876 /nfs/dbraw/zinc/14/38/76/818143876.db2.gz VCJRTCNBHVSLAQ-UHFFFAOYSA-N 1 0 299.370 3.271 20 10 CGCDRO COc1cc(C[N@H+](C)Cc2ccc(C)cc2)c(O)cc1O ZINC001231637071 818144334 /nfs/dbraw/zinc/14/43/34/818144334.db2.gz ZNPPPXFBLVSBSQ-UHFFFAOYSA-N 1 0 287.359 3.047 20 10 CGCDRO CCCC1CC[NH+](Cc2cc(OC)c(O)cc2O)CC1 ZINC001231634871 818144526 /nfs/dbraw/zinc/14/45/26/818144526.db2.gz CGDFRZOFWQNQNN-UHFFFAOYSA-N 1 0 279.380 3.119 20 10 CGCDRO C[N@H+](Cc1ccc(Cl)c(O)c1)Cc1ccccc1O ZINC001231737901 818164040 /nfs/dbraw/zinc/16/40/40/818164040.db2.gz YGBAFTXDXJCJCA-UHFFFAOYSA-N 1 0 277.751 3.383 20 10 CGCDRO Cc1cc(C)c(C[NH+]2CCC3(C[C@H](F)CO3)CC2)c(O)c1 ZINC001231846079 818187396 /nfs/dbraw/zinc/18/73/96/818187396.db2.gz AIWOWZRQPVYGKJ-AWEZNQCLSA-N 1 0 293.382 3.102 20 10 CGCDRO COc1cc(N(C)C)ccc1C[N@H+](C)CCc1ccccc1 ZINC001231849270 818188309 /nfs/dbraw/zinc/18/83/09/818188309.db2.gz QQFSTELTCAPPTL-UHFFFAOYSA-N 1 0 298.430 3.436 20 10 CGCDRO COc1cc(N(C)C)ccc1C[N@H+](C)C[C@@H]1CC1(C)C ZINC001231855444 818188727 /nfs/dbraw/zinc/18/87/27/818188727.db2.gz UTVCCFCCYZVCAP-AWEZNQCLSA-N 1 0 276.424 3.239 20 10 CGCDRO CC[C@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2OC)C1 ZINC001231854214 818189210 /nfs/dbraw/zinc/18/92/10/818189210.db2.gz BXZMDWCJKQFLBU-AWEZNQCLSA-N 1 0 276.424 3.383 20 10 CGCDRO CCN(Cc1ccccn1)Cc1ccc(N(C)C)cc1OC ZINC001231854487 818189432 /nfs/dbraw/zinc/18/94/32/818189432.db2.gz HQSWKHNHIRFEBH-UHFFFAOYSA-N 1 0 299.418 3.178 20 10 CGCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCC2(CCC2)C1 ZINC001231854815 818189469 /nfs/dbraw/zinc/18/94/69/818189469.db2.gz MFEJYRYVGLOLJM-UHFFFAOYSA-N 1 0 274.408 3.137 20 10 CGCDRO COc1cc(N(C)C)ccc1C[N@H+](CC1CC1)C1CC1 ZINC001231857908 818190131 /nfs/dbraw/zinc/19/01/31/818190131.db2.gz OSZASQQESKOBFL-UHFFFAOYSA-N 1 0 274.408 3.136 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)cc1Cl ZINC001231869825 818193270 /nfs/dbraw/zinc/19/32/70/818193270.db2.gz ZWIGDMSIUOHLAD-WBMJQRKESA-N 1 0 295.810 3.355 20 10 CGCDRO C[C@H]1CC[N@H+](Cc2ccc3ccccc3c2O)CCC1=O ZINC001231879557 818200124 /nfs/dbraw/zinc/20/01/24/818200124.db2.gz IIHCFDGCOYLIPH-ZDUSSCGKSA-N 1 0 283.371 3.346 20 10 CGCDRO CC[N@H+](Cc1cn(C)nc1C1CC1)Cc1ccccc1O ZINC001232175349 818271899 /nfs/dbraw/zinc/27/18/99/818271899.db2.gz YNTIQXBBVOMBOM-UHFFFAOYSA-N 1 0 285.391 3.025 20 10 CGCDRO COc1cc(O)c(C[N@H+](C)C2CCCC2)cc1Cl ZINC001232265579 818297067 /nfs/dbraw/zinc/29/70/67/818297067.db2.gz XWZVLYKQFAJZDL-UHFFFAOYSA-N 1 0 269.772 3.429 20 10 CGCDRO CCCC[N@H+](C)Cc1cc(Cl)c(OC)cc1O ZINC001232265703 818297984 /nfs/dbraw/zinc/29/79/84/818297984.db2.gz OUWDASJDOHTUED-UHFFFAOYSA-N 1 0 257.761 3.286 20 10 CGCDRO COc1cc(O)c(C[N@H+](C)C(C)(C)C)cc1Cl ZINC001232265082 818298000 /nfs/dbraw/zinc/29/80/00/818298000.db2.gz PTRDXKJGTFOAEH-UHFFFAOYSA-N 1 0 257.761 3.285 20 10 CGCDRO COc1cc(O)c(C[N@H+](C)C[C@H]2CCCCO2)cc1Cl ZINC001232264931 818298092 /nfs/dbraw/zinc/29/80/92/818298092.db2.gz OOEXTUNFKQHBBT-GFCCVEGCSA-N 1 0 299.798 3.055 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CC[C@@](C)(CF)C2)cc1Cl ZINC001232266620 818298439 /nfs/dbraw/zinc/29/84/39/818298439.db2.gz QHKRCQYSMXXZPZ-AWEZNQCLSA-N 1 0 287.762 3.236 20 10 CGCDRO Oc1ccc2[nH]cc(C[N@@H+]3CCc4cccc(O)c4C3)c2c1 ZINC001232872223 818458998 /nfs/dbraw/zinc/45/89/98/818458998.db2.gz VGLTWRYKQCDOPH-UHFFFAOYSA-N 1 0 294.354 3.137 20 10 CGCDRO C[C@@H]1C[C@H](O)CC[N@@H+]1Cc1cc(C(C)(C)C)ccc1O ZINC001233286421 818567898 /nfs/dbraw/zinc/56/78/98/818567898.db2.gz TYBNGNJNABMRIC-IUODEOHRSA-N 1 0 277.408 3.035 20 10 CGCDRO CO[C@@H](C)C1C[NH+](Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001233286830 818568311 /nfs/dbraw/zinc/56/83/11/818568311.db2.gz KMCAERMPOLWIGL-LBPRGKRZSA-N 1 0 277.408 3.156 20 10 CGCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CCC[C@@]3(CCO3)C2)c1 ZINC001233286107 818568417 /nfs/dbraw/zinc/56/84/17/818568417.db2.gz FZCXQDZLJYFQLI-GOSISDBHSA-N 1 0 289.419 3.445 20 10 CGCDRO Oc1ccc(F)c(F)c1CN1CCc2cc(F)ccc2C1 ZINC001233335949 818588281 /nfs/dbraw/zinc/58/82/81/818588281.db2.gz SAIQJZOGADPOBX-UHFFFAOYSA-N 1 0 293.288 3.368 20 10 CGCDRO Oc1cc(C(F)(F)F)ccc1C[N@@H+]1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001233454716 818623762 /nfs/dbraw/zinc/62/37/62/818623762.db2.gz HWCZCYPCGOXQKL-DLOVCJGASA-N 1 0 289.272 3.343 20 10 CGCDRO Cc1ccc(C[N@@H+](C)Cc2cc(O)c(O)cc2O)cc1C ZINC001233487046 818625324 /nfs/dbraw/zinc/62/53/24/818625324.db2.gz MWSKAFKTAAIGIU-UHFFFAOYSA-N 1 0 287.359 3.052 20 10 CGCDRO CCN1CCc2cc(O[C@H]3CCC[N@@H+](C(C)C)C3)ccc21 ZINC001233602519 818656039 /nfs/dbraw/zinc/65/60/39/818656039.db2.gz WFKGIPJAQBPHFN-KRWDZBQOSA-N 1 0 288.435 3.321 20 10 CGCDRO CCN1CCc2cc(O[C@@H]3CCC[N@@H+](C(C)C)C3)ccc21 ZINC001233602520 818656222 /nfs/dbraw/zinc/65/62/22/818656222.db2.gz WFKGIPJAQBPHFN-QGZVFWFLSA-N 1 0 288.435 3.321 20 10 CGCDRO CCN1CCc2cc(OC3CC[NH+](C(C)C)CC3)ccc21 ZINC001233601453 818656337 /nfs/dbraw/zinc/65/63/37/818656337.db2.gz JULAUNGWPNGOAU-UHFFFAOYSA-N 1 0 288.435 3.321 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233727698 818691652 /nfs/dbraw/zinc/69/16/52/818691652.db2.gz OISPRVINVFQEFJ-SECBINFHSA-N 1 0 275.270 3.133 20 10 CGCDRO Oc1ccc2ccccc2c1CN1CCCC[C@@]12CC[NH2+]C2 ZINC001235118563 819010690 /nfs/dbraw/zinc/01/06/90/819010690.db2.gz OPQDOGUEYGKWQT-IBGZPJMESA-N 1 0 296.414 3.263 20 10 CGCDRO CC(C)[C@@H]1C[NH2+]CCN1Cc1cc(C(C)(C)C)ccc1O ZINC001235457391 819104030 /nfs/dbraw/zinc/10/40/30/819104030.db2.gz DDVOERCWFHDUHI-INIZCTEOSA-N 1 0 290.451 3.120 20 10 CGCDRO C[NH+](C)[C@H]1CCCN(Cc2ccc(C(C)(C)C)cc2O)C1 ZINC001235686233 819142361 /nfs/dbraw/zinc/14/23/61/819142361.db2.gz YZNWQSPZRTYBKE-INIZCTEOSA-N 1 0 290.451 3.216 20 10 CGCDRO C[NH+](C)[C@@H]1CCCN(Cc2ccc(C(C)(C)C)cc2O)C1 ZINC001235686234 819142511 /nfs/dbraw/zinc/14/25/11/819142511.db2.gz YZNWQSPZRTYBKE-MRXNPFEDSA-N 1 0 290.451 3.216 20 10 CGCDRO CCN(Cc1cc2ccccc2cc1O)[C@H]1CCC[NH2+]C1 ZINC001236010985 819273885 /nfs/dbraw/zinc/27/38/85/819273885.db2.gz VHGCQOKDZCHVQH-KRWDZBQOSA-N 1 0 284.403 3.119 20 10 CGCDRO CC(C)N(Cc1c(O)ccc2ccccc21)[C@H]1CC[NH2+]C1 ZINC001236527193 819519013 /nfs/dbraw/zinc/51/90/13/819519013.db2.gz IGRMVNDQMWGKRE-HNNXBMFYSA-N 1 0 284.403 3.118 20 10 CGCDRO Cc1ccc(O)c(CN([C@H]2CC[NH2+]C2)C2CCCCC2)c1 ZINC001236651258 819561621 /nfs/dbraw/zinc/56/16/21/819561621.db2.gz HBVKSBKKHFEKBW-KRWDZBQOSA-N 1 0 288.435 3.197 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccc(F)c(O)c2)cc1 ZINC001236709505 819579232 /nfs/dbraw/zinc/57/92/32/819579232.db2.gz ZKUHWTYPUOAVQU-UHFFFAOYSA-N 1 0 288.366 3.229 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CCCC[C@](C)(F)C2)cc1OC ZINC001236749518 819590345 /nfs/dbraw/zinc/59/03/45/819590345.db2.gz JEQAKRXOTLDOHF-INIZCTEOSA-N 1 0 297.370 3.124 20 10 CGCDRO COc1cc(O)c(C[NH+]2CCC(C)(OC)CC2)c(Cl)c1 ZINC001236798450 819599121 /nfs/dbraw/zinc/59/91/21/819599121.db2.gz OJOKWBKGDIHSTQ-UHFFFAOYSA-N 1 0 299.798 3.055 20 10 CGCDRO CO[C@@H](C)C1C[NH+](Cc2cc3ccccc3cc2O)C1 ZINC001236834673 819613905 /nfs/dbraw/zinc/61/39/05/819613905.db2.gz BBIUSELUYZJMMV-LBPRGKRZSA-N 1 0 271.360 3.012 20 10 CGCDRO CC[N@H+](Cc1cc2ccccc2cc1O)CC(C)(C)O ZINC001236834315 819613939 /nfs/dbraw/zinc/61/39/39/819613939.db2.gz WDDYJEMWSXEKOG-UHFFFAOYSA-N 1 0 273.376 3.138 20 10 CGCDRO CC(C)N1CC[N@H+](Cc2cc3ccccc3cc2O)C[C@@H]1C ZINC001236836157 819615383 /nfs/dbraw/zinc/61/53/83/819615383.db2.gz YNRXLKFJBGBALV-HNNXBMFYSA-N 1 0 298.430 3.460 20 10 CGCDRO Oc1cc2ccccc2cc1CN1CC[NH+](CC2CC2)CC1 ZINC001236841876 819618592 /nfs/dbraw/zinc/61/85/92/819618592.db2.gz PZWPMSCZPRTBMF-UHFFFAOYSA-N 1 0 296.414 3.073 20 10 CGCDRO CCC[N@H+](CC)Cc1ccc(N2CCOCC2)cc1Cl ZINC001236928104 819638593 /nfs/dbraw/zinc/63/85/93/819638593.db2.gz HUBPKQVQZQITRA-UHFFFAOYSA-N 1 0 296.842 3.409 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2C[C@@H](CO)CC[C@@H]2C)c(O)c1 ZINC001237044416 819650420 /nfs/dbraw/zinc/65/04/20/819650420.db2.gz CSPWCAVZNIYEHS-KBPBESRZSA-N 1 0 277.408 3.108 20 10 CGCDRO Oc1ccc(F)c(Cl)c1C[N@@H+]1CCC[C@H](CF)C1 ZINC001237126386 819673314 /nfs/dbraw/zinc/67/33/14/819673314.db2.gz JVVLKMSVULBPFD-SECBINFHSA-N 1 0 275.726 3.366 20 10 CGCDRO C[C@H]1CC[N@H+](Cc2cc(C(F)(F)F)ccc2O)C1 ZINC001237138914 819676519 /nfs/dbraw/zinc/67/65/19/819676519.db2.gz ZXPZLGXHIKEVSP-VIFPVBQESA-N 1 0 259.271 3.253 20 10 CGCDRO Cc1cc(C)c(CN(C2CCC2)[C@H]2CCC[NH2+]C2)c(O)c1 ZINC001237156579 819682599 /nfs/dbraw/zinc/68/25/99/819682599.db2.gz ORCHPCHCVXKSJX-INIZCTEOSA-N 1 0 288.435 3.116 20 10 CGCDRO Cc1cc(C)c(CN(C2CCC2)[C@@H]2CCC[NH2+]C2)c(O)c1 ZINC001237156580 819683251 /nfs/dbraw/zinc/68/32/51/819683251.db2.gz ORCHPCHCVXKSJX-MRXNPFEDSA-N 1 0 288.435 3.116 20 10 CGCDRO Cc1cccc(O)c1C[NH+]1CCN(Cc2ccccc2)CC1 ZINC001237484298 819762031 /nfs/dbraw/zinc/76/20/31/819762031.db2.gz BAOYOMFADROVAL-UHFFFAOYSA-N 1 0 296.414 3.018 20 10 CGCDRO Cc1cccc(O)c1C[N@H+](C)Cc1cccnc1C ZINC001237493409 819763803 /nfs/dbraw/zinc/76/38/03/819763803.db2.gz YEJVBQVBJWFFEO-UHFFFAOYSA-N 1 0 256.349 3.036 20 10 CGCDRO COc1cc(C[N@@H+]2Cc3cccc(C)c3C2)c(O)c(OC)c1 ZINC001237675393 819804531 /nfs/dbraw/zinc/80/45/31/819804531.db2.gz WZQGZLDGCYJGHP-UHFFFAOYSA-N 1 0 299.370 3.234 20 10 CGCDRO COc1cc(C[N@@H+]2CCC[C@H](C)[C@@H]2C)c(O)c(OC)c1 ZINC001237676540 819804706 /nfs/dbraw/zinc/80/47/06/819804706.db2.gz PQABHDJFJFGXCW-RYUDHWBXSA-N 1 0 279.380 3.030 20 10 CGCDRO Cc1cc(Cl)cc(CN2CCC([NH+]3CCC3)CC2)c1O ZINC001237691200 819808041 /nfs/dbraw/zinc/80/80/41/819808041.db2.gz ZUZQUQDKUZYTIS-UHFFFAOYSA-N 1 0 294.826 3.024 20 10 CGCDRO Cc1cc(F)cc(C[N@@H+]2CCc3c(O)cccc3C2)c1O ZINC001238055667 819919411 /nfs/dbraw/zinc/91/94/11/819919411.db2.gz BPRACEVNRFEQHV-UHFFFAOYSA-N 1 0 287.334 3.104 20 10 CGCDRO CO[C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(F)cc(C)c3O)C[C@@H]21 ZINC001238059804 819921336 /nfs/dbraw/zinc/92/13/36/819921336.db2.gz DOYOYRHVJVLNKO-UHOFOFEASA-N 1 0 293.382 3.087 20 10 CGCDRO CCCCC[N@H+](CCO)Cc1ccc(N2CCCC2)cc1 ZINC001341523228 936440622 /nfs/dbraw/zinc/44/06/22/936440622.db2.gz JPXXERMTRLDBQE-UHFFFAOYSA-N 1 0 290.451 3.271 20 10 CGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]Cc1ccn(C)c1 ZINC001342407920 936466209 /nfs/dbraw/zinc/46/62/09/936466209.db2.gz UPGQAHSZAICDGC-GXTWGEPZSA-N 1 0 270.376 3.377 20 10 CGCDRO Cc1cccc([C@H]2CCC[N@@H+]2Cc2ccc(N)cc2)n1 ZINC001345159067 936804595 /nfs/dbraw/zinc/80/45/95/936804595.db2.gz AFDYIOVRMDEADT-QGZVFWFLSA-N 1 0 267.376 3.309 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)c1 ZINC001350582096 936995180 /nfs/dbraw/zinc/99/51/80/936995180.db2.gz AQEQYAVMENHJTK-UPJWGTAASA-N 1 0 267.319 3.224 20 10 CGCDRO CN(C)c1cc(F)c(C[NH2+][C@H]2CCC(F)(F)C2)cc1F ZINC001351331020 937014543 /nfs/dbraw/zinc/01/45/43/937014543.db2.gz NMQIDFHDSVGITJ-JTQLQIEISA-N 1 0 290.304 3.308 20 10 CGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@@H]2CCCS2)cc1F ZINC001351315763 937014668 /nfs/dbraw/zinc/01/46/68/937014668.db2.gz RFVSUBNBTIVQOY-NSHDSACASA-N 1 0 286.391 3.016 20 10 CGCDRO C[C@@H]1CCC(C)(C)[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC001473544430 937200031 /nfs/dbraw/zinc/20/00/31/937200031.db2.gz WVNMLLPLVYZSNN-OAHLLOKOSA-N 1 0 288.435 3.286 20 10 CGCDRO COc1cc(C)c(C[NH2+]C[C@@H](C)CC(F)F)c(O)c1 ZINC001474594883 937206845 /nfs/dbraw/zinc/20/68/45/937206845.db2.gz MWTYUEYTBGDZSE-VIFPVBQESA-N 1 0 273.323 3.090 20 10 CGCDRO CCOCc1cc(C[NH2+][C@@H](C)CCSC)ccc1OC ZINC001308277986 928874494 /nfs/dbraw/zinc/87/44/94/928874494.db2.gz UCEUVYIZJCUDFZ-ZDUSSCGKSA-N 1 0 297.464 3.463 20 10 CGCDRO Cc1ccc(C)c(C[N@H+](C)Cc2ccccn2)c1O ZINC001140178820 931956992 /nfs/dbraw/zinc/95/69/92/931956992.db2.gz YOKTYLCGMNIVHI-UHFFFAOYSA-N 1 0 256.349 3.036 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]Cc2cncs2)cc1F ZINC001461182025 937568035 /nfs/dbraw/zinc/56/80/35/937568035.db2.gz OMVVLXSPDDHPHA-UHFFFAOYSA-N 1 0 293.411 3.418 20 10 CGCDRO CSC(C)(C)C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC001461246983 937571362 /nfs/dbraw/zinc/57/13/62/937571362.db2.gz GXJVTVDLLMSGJG-UHFFFAOYSA-N 1 0 270.417 3.123 20 10 CGCDRO CCCOc1ccc(C[NH2+]C[C@H](CO)C(C)C)cc1C ZINC001461488154 937582819 /nfs/dbraw/zinc/58/28/19/937582819.db2.gz OPCPEZMGJFRRMZ-MRXNPFEDSA-N 1 0 279.424 3.138 20 10 CGCDRO Cc1cc(O)c(C[NH+]2CC(C(C)C)C2)cc1Cl ZINC001462158324 937622004 /nfs/dbraw/zinc/62/20/04/937622004.db2.gz QKRYXGHNKCTWBJ-UHFFFAOYSA-N 1 0 253.773 3.442 20 10 CGCDRO COc1cc(C)c(C[NH2+]C[C@@H]2C(C)(C)C2(F)F)c(O)c1 ZINC001474640621 932755409 /nfs/dbraw/zinc/75/54/09/932755409.db2.gz KPCFCOUEESSTEC-CYBMUJFWSA-N 1 0 285.334 3.090 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+][C@H]2C[C@@H](C)O[C@@H]2C)c1 ZINC001462504191 937645906 /nfs/dbraw/zinc/64/59/06/937645906.db2.gz KSZYPPFTWOCQJL-JMSVASOKSA-N 1 0 263.381 3.171 20 10 CGCDRO c1csc(CCC[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC001308331453 933095844 /nfs/dbraw/zinc/09/58/44/933095844.db2.gz AMKYPQLPJYGOAL-UHFFFAOYSA-N 1 0 273.401 3.405 20 10 CGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H](CO)CC1CCC1 ZINC001308415161 933107869 /nfs/dbraw/zinc/10/78/69/933107869.db2.gz UPNQJQRFARHVPW-OAHLLOKOSA-N 1 0 286.419 3.127 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CCC(C)(C)CO2)cc1F ZINC001308503608 933121818 /nfs/dbraw/zinc/12/18/18/933121818.db2.gz PGMHNQCXALRBMV-AWEZNQCLSA-N 1 0 294.414 3.187 20 10 CGCDRO CC[C@H]1CC[N@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC001308585497 933138546 /nfs/dbraw/zinc/13/85/46/933138546.db2.gz ZXYKLFVLCWPLEY-NFAHFFEMSA-N 1 0 258.409 3.498 20 10 CGCDRO CCCN(Cc1cc(C)co1)c1ccc(C[NH3+])cc1 ZINC001308740511 933168275 /nfs/dbraw/zinc/16/82/75/933168275.db2.gz QDYNLUKURHSFOM-UHFFFAOYSA-N 1 0 258.365 3.463 20 10 CGCDRO CC[C@](C)(C[NH2+][C@H](C)Cc1ccc(N(C)C)cc1C)OC ZINC001308824530 933183889 /nfs/dbraw/zinc/18/38/89/933183889.db2.gz GYZBEJIIIAPPBA-CRAIPNDOSA-N 1 0 292.467 3.397 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH+]1CCC(O)(C(C)C)CC1 ZINC001308979502 933220055 /nfs/dbraw/zinc/22/00/55/933220055.db2.gz WUSCKJRKINCNKN-UHFFFAOYSA-N 1 0 290.451 3.044 20 10 CGCDRO CCOCC[N@H+](CC)Cc1ccc(N2CCCC2)cc1 ZINC001319948325 933962954 /nfs/dbraw/zinc/96/29/54/933962954.db2.gz RKWXACNVVIOFTO-UHFFFAOYSA-N 1 0 276.424 3.145 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CCN1CC[C@@H](C)C1 ZINC001320248545 934019932 /nfs/dbraw/zinc/01/99/32/934019932.db2.gz WIZJIFJNYIUCQM-BPLDGKMQSA-N 1 0 288.435 3.180 20 10 CGCDRO CC1=CC[N@H+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001320508589 934058167 /nfs/dbraw/zinc/05/81/67/934058167.db2.gz CNALLAONCHVWSO-UHFFFAOYSA-N 1 0 256.393 3.439 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCC2CSC2)cc1Cl ZINC001474757315 934179353 /nfs/dbraw/zinc/17/93/53/934179353.db2.gz USCZULAWGMQGQP-UHFFFAOYSA-N 1 0 271.813 3.197 20 10 CGCDRO Cc1c([C@@H](C)[NH2+]C/C=C/c2ccc(N(C)C)cc2)cnn1C ZINC001324610652 934533461 /nfs/dbraw/zinc/53/34/61/934533461.db2.gz PQSWVPBVKBMVHG-PSKZRQQASA-N 1 0 298.434 3.159 20 10 CGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001328730723 935164439 /nfs/dbraw/zinc/16/44/39/935164439.db2.gz QHTAVNCSYHCKHY-BGPZULBFSA-N 1 0 273.376 3.158 20 10 CGCDRO C[C@@H](CC(F)(F)F)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001331520625 935388869 /nfs/dbraw/zinc/38/88/69/935388869.db2.gz REDMUMKWYLGJJH-QMMMGPOBSA-N 1 0 296.283 3.461 20 10 CGCDRO CO[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001334327498 936097493 /nfs/dbraw/zinc/09/74/93/936097493.db2.gz RTMJPCRLVCFAPA-MAUKXSAKSA-N 1 0 288.435 3.286 20 10 CGCDRO COc1ccc(C2CC[NH+](Cc3ccc(N)cc3)CC2)nc1 ZINC001334774820 936112916 /nfs/dbraw/zinc/11/29/16/936112916.db2.gz PGOQPHNSSSMHPI-UHFFFAOYSA-N 1 0 297.402 3.052 20 10 CGCDRO Nc1ccc(C[N@@H+]2CCS[C@@H]3CCCC[C@H]32)cc1 ZINC001335284631 936136891 /nfs/dbraw/zinc/13/68/91/936136891.db2.gz FVRKWEWGLFNZDG-HUUCEWRRSA-N 1 0 262.422 3.129 20 10 CGCDRO CCC[C@H](O)CC[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC001335296762 936137486 /nfs/dbraw/zinc/13/74/86/936137486.db2.gz MQJJZFLEILLAPT-RDBSUJKOSA-N 1 0 277.408 3.390 20 10 CGCDRO CCC[C@H](O)CC[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2C ZINC001335296761 936137509 /nfs/dbraw/zinc/13/75/09/936137509.db2.gz MQJJZFLEILLAPT-MELADBBJSA-N 1 0 277.408 3.390 20 10 CGCDRO CC(C)CCOC1CC[NH+](Cc2ccc(N)cc2)CC1 ZINC001337833528 936292954 /nfs/dbraw/zinc/29/29/54/936292954.db2.gz BUZIKJCINYKVHW-UHFFFAOYSA-N 1 0 276.424 3.296 20 10 CGCDRO CCCCN(C)C[C@@H](C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001474165654 937842588 /nfs/dbraw/zinc/84/25/88/937842588.db2.gz YNIKGKVOEUDEJH-OAHLLOKOSA-N 1 0 290.451 3.222 20 10 CGCDRO C[N@H+](CCc1nccs1)Cc1ccc(Cl)cc1O ZINC001474373902 937855714 /nfs/dbraw/zinc/85/57/14/937855714.db2.gz GOHXRDGAZUXTST-UHFFFAOYSA-N 1 0 282.796 3.177 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+][C@@H](CO)C2CCCC2)c1 ZINC001474559280 937867078 /nfs/dbraw/zinc/86/70/78/937867078.db2.gz AFRICWDQBLKNSU-INIZCTEOSA-N 1 0 277.408 3.156 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2ccc(Cl)cc2O)nc1C ZINC001474570291 937867799 /nfs/dbraw/zinc/86/77/99/937867799.db2.gz CPNVAHABANJQEB-UHFFFAOYSA-N 1 0 276.767 3.347 20 10 CGCDRO CCNc1nc(C[NH2+][C@H](C)c2ccccc2O)cs1 ZINC001560075117 938243125 /nfs/dbraw/zinc/24/31/25/938243125.db2.gz SPWSHNOURQMCAW-SNVBAGLBSA-N 1 0 277.393 3.131 20 10 CGCDRO CCC(C)(C)OCC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001560496390 938260552 /nfs/dbraw/zinc/26/05/52/938260552.db2.gz OYOZQZSNXLJOEG-UHFFFAOYSA-N 1 0 277.408 3.306 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@H]2C[C@H](OC(C)(C)C)C2)cc1F ZINC001560518675 938261168 /nfs/dbraw/zinc/26/11/68/938261168.db2.gz DSKMPZJWHXGRDD-HDJSIYSDSA-N 1 0 294.414 3.327 20 10 CGCDRO CC1(C)C[C@@H](O)CC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001560832986 938278180 /nfs/dbraw/zinc/27/81/80/938278180.db2.gz UZPOBBUEXACFAF-ZDUSSCGKSA-N 1 0 283.799 3.029 20 10 CGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CCN(C)C(C)(C)C2)c1 ZINC001560988661 938288085 /nfs/dbraw/zinc/28/80/85/938288085.db2.gz WTXKTAKLGAHHRP-UHFFFAOYSA-N 1 0 276.424 3.042 20 10 CGCDRO Cc1cc(Br)cc(C[NH2+]CCC(F)F)c1O ZINC001561047576 938291688 /nfs/dbraw/zinc/29/16/88/938291688.db2.gz SQUGQVRIAKLDDB-UHFFFAOYSA-N 1 0 294.139 3.208 20 10 CGCDRO CC(C)C1(CN2CCCc3cc(C[NH3+])ccc32)CC1 ZINC001575474417 962376685 /nfs/dbraw/zinc/37/66/85/962376685.db2.gz DHCIEJAGTYGGHM-UHFFFAOYSA-N 1 0 258.409 3.334 20 10 CGCDRO CCc1cccc(CN2CC[NH2+]C[C@@H]2c2ccccc2)c1O ZINC001578266388 962580866 /nfs/dbraw/zinc/58/08/66/962580866.db2.gz HSQHBTYSFIUAEE-GOSISDBHSA-N 1 0 296.414 3.101 20 10 CGCDRO Nc1ccc(C[N@@H+](Cc2ccco2)C[C@@H]2CCCO2)cc1 ZINC001580443479 962728215 /nfs/dbraw/zinc/72/82/15/962728215.db2.gz JYSOOMUEDYMKRG-KRWDZBQOSA-N 1 0 286.375 3.043 20 10 CGCDRO COc1ccc(C[NH2+]CCCc2nccs2)cc1C ZINC000076892927 345553917 /nfs/dbraw/zinc/55/39/17/345553917.db2.gz OZELGYIKLPMKOC-UHFFFAOYSA-N 1 0 276.405 3.183 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]CC[C@@H](C)CCO)c(O)c1 ZINC000297340691 346434751 /nfs/dbraw/zinc/43/47/51/346434751.db2.gz OLLFSLNIOHRLSK-RISCZKNCSA-N 1 0 265.397 3.068 20 10 CGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H]1COC(C)(C)C1 ZINC000396511916 346581681 /nfs/dbraw/zinc/58/16/81/346581681.db2.gz PXIWVCOFUOJDTM-CYBMUJFWSA-N 1 0 272.392 3.144 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)cc1C ZINC000129152649 370976056 /nfs/dbraw/zinc/97/60/56/370976056.db2.gz FPLKFNCBIYHWJN-PBHICJAKSA-N 1 0 275.392 3.010 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCc2nccs2)c1 ZINC000063133719 369641166 /nfs/dbraw/zinc/64/11/66/369641166.db2.gz XLMBGOKTTIXLKB-NSHDSACASA-N 1 0 262.378 3.050 20 10 CGCDRO Cc1cccc(C[N@H+]2CCCCC[C@H]2C[C@H](C)O)c1O ZINC000289233011 371753094 /nfs/dbraw/zinc/75/30/94/371753094.db2.gz DDMDOROSNMHABD-HOCLYGCPSA-N 1 0 277.408 3.216 20 10 CGCDRO CC[N@H+](Cc1cccc(OC)c1O)CC(C)(C)C ZINC000291074884 372110446 /nfs/dbraw/zinc/11/04/46/372110446.db2.gz MJXAUARYTVOQHU-UHFFFAOYSA-N 1 0 251.370 3.269 20 10 CGCDRO COc1cccc(C[NH2+]CCC(C)(C)C2CC2)c1O ZINC000293462159 372387985 /nfs/dbraw/zinc/38/79/85/372387985.db2.gz QDXYDQCLGSNZTA-UHFFFAOYSA-N 1 0 263.381 3.317 20 10 CGCDRO CC[C@H]1C[N@H+](Cc2cc(Cl)c(F)cc2[O-])CCCO1 ZINC000294564240 372660447 /nfs/dbraw/zinc/66/04/47/372660447.db2.gz FZQIDDCLTSWVFY-NSHDSACASA-N 1 0 287.762 3.186 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCNc2ccccn2)c(O)c1 ZINC000294752187 372670293 /nfs/dbraw/zinc/67/02/93/372670293.db2.gz MBGPCPWNQGUVSO-CQSZACIVSA-N 1 0 285.391 3.167 20 10 CGCDRO CC(=O)Nc1cccc(C[NH2+][C@H]2CCc3cccc(O)c32)c1 ZINC000295774005 372905466 /nfs/dbraw/zinc/90/54/66/372905466.db2.gz ANLRZXSSHSGIJX-INIZCTEOSA-N 1 0 296.370 3.128 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+]CCC(C)(F)F)c1O ZINC000296084350 373016994 /nfs/dbraw/zinc/01/69/94/373016994.db2.gz QURJYZGYVZKKEW-UHFFFAOYSA-N 1 0 263.715 3.489 20 10 CGCDRO CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(C)cc1O ZINC000296373459 373109527 /nfs/dbraw/zinc/10/95/27/373109527.db2.gz JGWFKXOTQKKKPE-UCMJJCQDSA-N 1 0 288.435 3.367 20 10 CGCDRO C[C@H]([NH2+][C@H]1CC[C@@H](CO)C1)c1ccc2ccccc2c1O ZINC000296628735 373199336 /nfs/dbraw/zinc/19/93/36/373199336.db2.gz XGYOUMDIMUPQFY-GUTXKFCHSA-N 1 0 285.387 3.357 20 10 CGCDRO CC[C@@H](CSC)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296869324 373250330 /nfs/dbraw/zinc/25/03/30/373250330.db2.gz NVCKAQWVSRSIAI-RYUDHWBXSA-N 1 0 251.395 3.111 20 10 CGCDRO CCCc1nc(C)c(C[NH2+][C@@H]2CCc3cccc(O)c32)o1 ZINC000297225295 373260400 /nfs/dbraw/zinc/26/04/00/373260400.db2.gz HNEYKBAYHIINSJ-CYBMUJFWSA-N 1 0 286.375 3.418 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]Cc1cc(F)cnc1Cl)CC2 ZINC000297232690 373261156 /nfs/dbraw/zinc/26/11/56/373261156.db2.gz HZEOHOZWYQFKEV-LBPRGKRZSA-N 1 0 292.741 3.357 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](C)c2ccccc2O)cc1F ZINC000179878205 373934658 /nfs/dbraw/zinc/93/46/58/373934658.db2.gz RHKVWSQKJQQLEL-NSHDSACASA-N 1 0 275.323 3.391 20 10 CGCDRO Cc1cccc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)c1O ZINC000180439281 374005968 /nfs/dbraw/zinc/00/59/68/374005968.db2.gz RDQFXFJAHWNPHI-INIZCTEOSA-N 1 0 276.424 3.007 20 10 CGCDRO Cc1cccc(C[N@@H+](C)[C@@H](C)c2ccccn2)c1O ZINC000182064771 374212930 /nfs/dbraw/zinc/21/29/30/374212930.db2.gz IYZFJEVDWWPZKG-ZDUSSCGKSA-N 1 0 256.349 3.289 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C(C)(C)c2ncc(C)s2)c1 ZINC000182552992 374289258 /nfs/dbraw/zinc/28/92/58/374289258.db2.gz IIIQQALDQZFWGK-UHFFFAOYSA-N 1 0 292.404 3.191 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(OCC2CC2)nc1)c1ccccc1O ZINC000183474752 374418642 /nfs/dbraw/zinc/41/86/42/374418642.db2.gz DVZMPAWBWWOUGG-CYBMUJFWSA-N 1 0 298.386 3.427 20 10 CGCDRO CCc1nc(CC[NH2+][C@H](C)c2ccccc2O)cs1 ZINC000183483022 374418766 /nfs/dbraw/zinc/41/87/66/374418766.db2.gz FAYGVIJBFAIFOC-LLVKDONJSA-N 1 0 276.405 3.304 20 10 CGCDRO Cc1noc(C)c1[C@@H](C)C[NH2+][C@@H](C)c1ccccc1O ZINC000183626827 374436625 /nfs/dbraw/zinc/43/66/25/374436625.db2.gz DATWFFZLUUJYCF-QWRGUYRKSA-N 1 0 274.364 3.451 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1CCCO1)c1cc2c(cc1O)CCCC2 ZINC000184851141 374564877 /nfs/dbraw/zinc/56/48/77/374564877.db2.gz HYBHJIHQTZCFCC-DOMZBBRYSA-N 1 0 275.392 3.101 20 10 CGCDRO COCCC1(C[NH2+][C@H](C)c2cc(C)ccc2O)CC1 ZINC000186133929 374802302 /nfs/dbraw/zinc/80/23/02/374802302.db2.gz XTHXCLFRZPNDDH-CYBMUJFWSA-N 1 0 263.381 3.168 20 10 CGCDRO COC1(C[NH2+]Cc2cc(C)ccc2O)CCCCC1 ZINC000187444236 375021953 /nfs/dbraw/zinc/02/19/53/375021953.db2.gz GQEXJJSINOZWIL-UHFFFAOYSA-N 1 0 263.381 3.140 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2O)cc1 ZINC000187884416 375111353 /nfs/dbraw/zinc/11/13/53/375111353.db2.gz RLPYRHXEGDZJNN-JQFCIGGWSA-N 1 0 276.424 3.097 20 10 CGCDRO CC[C@@H]([NH2+]Cc1c(C)c2ccccc2n1C)[C@@H]1CCOC1 ZINC000479466343 375153472 /nfs/dbraw/zinc/15/34/72/375153472.db2.gz ZSEJAPFWMSGVTH-GDBMZVCRSA-N 1 0 286.419 3.391 20 10 CGCDRO CC[C@@H](N[C@H]1CC[NH2+]C12CCC2)c1ccc(C)cc1O ZINC000530214149 375939343 /nfs/dbraw/zinc/93/93/43/375939343.db2.gz BHMPCOXLPOFAMJ-ZBFHGGJFSA-N 1 0 274.408 3.026 20 10 CGCDRO Cc1cc(O)c(CNc2ccc3c(c2)OCC[NH2+]C3)cc1C ZINC000530183273 375940021 /nfs/dbraw/zinc/94/00/21/375940021.db2.gz PALSPWLQVCZTAU-UHFFFAOYSA-N 1 0 298.386 3.103 20 10 CGCDRO C[N@H+](CCF)Cc1ccc(N2CCCCC2)cc1 ZINC000268308741 378053104 /nfs/dbraw/zinc/05/31/04/378053104.db2.gz PHJVRAASGLMMJS-UHFFFAOYSA-N 1 0 250.361 3.078 20 10 CGCDRO CC(C)(C)[C@@H]1C[C@H]([NH2+]Cc2ccccc2O)CCO1 ZINC000270649400 378381122 /nfs/dbraw/zinc/38/11/22/378381122.db2.gz LMEHVCSDFFPJLZ-HIFRSBDPSA-N 1 0 263.381 3.076 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)c1 ZINC000270653030 378383030 /nfs/dbraw/zinc/38/30/30/378383030.db2.gz MLSBVELEAOGUQY-GOEBONIOSA-N 1 0 277.408 3.384 20 10 CGCDRO CO[C@@H](c1ccc(F)cc1)[C@@H](C)[NH2+]Cc1ccccc1O ZINC000271337246 378489520 /nfs/dbraw/zinc/48/95/20/378489520.db2.gz GFXPKBDHGADFGB-SJKOYZFVSA-N 1 0 289.350 3.397 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H](C)c2cn[nH]c2)cc1 ZINC000271422165 378491863 /nfs/dbraw/zinc/49/18/63/378491863.db2.gz BZXOWGLFUBRPHI-CHWSQXEVSA-N 1 0 272.396 3.278 20 10 CGCDRO CCCOc1ccc(C[NH2+]CC(C)(C)CCCO)c(O)c1 ZINC000271498519 378495063 /nfs/dbraw/zinc/49/50/63/378495063.db2.gz KDFXUFTZWVCOFA-UHFFFAOYSA-N 1 0 295.423 3.069 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1ccccc1O ZINC000271733435 378503336 /nfs/dbraw/zinc/50/33/36/378503336.db2.gz SXZKPCRAYNKIQA-DOTOQJQBSA-N 1 0 289.350 3.306 20 10 CGCDRO CC(C)(C)[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2O)CCO1 ZINC000272516051 378654227 /nfs/dbraw/zinc/65/42/27/378654227.db2.gz XQFUKNRYEBBIQD-UKRRQHHQSA-N 1 0 281.371 3.215 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCSC1)c1cc(Cl)ccc1O ZINC000273345801 378742512 /nfs/dbraw/zinc/74/25/12/378742512.db2.gz ARFDYDFSSPSHFM-WCBMZHEXSA-N 1 0 257.786 3.202 20 10 CGCDRO CCN(CC[NH2+][C@@H](C)c1ccc(C)c(C)c1O)C1CC1 ZINC000273618362 378757437 /nfs/dbraw/zinc/75/74/37/378757437.db2.gz YGPWXQXOJYLWQH-AWEZNQCLSA-N 1 0 276.424 3.144 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCCOCC2CC2)c(O)c1C ZINC000273374716 378743212 /nfs/dbraw/zinc/74/32/12/378743212.db2.gz GYBWMMMHOAVVCH-CQSZACIVSA-N 1 0 277.408 3.476 20 10 CGCDRO C[C@@H]([NH2+]CC1([C@@H](C)CCO)CCC1)c1cc(F)ccc1O ZINC000273445313 378745385 /nfs/dbraw/zinc/74/53/85/378745385.db2.gz DYCHITSDCHCCKS-QWHCGFSZSA-N 1 0 295.398 3.371 20 10 CGCDRO CCOCCC[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000273443688 378746431 /nfs/dbraw/zinc/74/64/31/378746431.db2.gz ZEOUMSLPIMPDCP-ZDUSSCGKSA-N 1 0 251.370 3.086 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCO[C@H](C)C2)c(O)c1 ZINC000273472175 378748605 /nfs/dbraw/zinc/74/86/05/378748605.db2.gz JWKOVUZHGRQYRB-HZSPNIEDSA-N 1 0 263.381 3.166 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CCSC1)c1cc2c(cc1O)CCCC2 ZINC000273476825 378749992 /nfs/dbraw/zinc/74/99/92/378749992.db2.gz LAPAYAFTNSQOFB-RISCZKNCSA-N 1 0 277.433 3.427 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCOCC2)c(O)c1C ZINC000273518042 378750694 /nfs/dbraw/zinc/75/06/94/378750694.db2.gz SYPIWYCGFDOSJZ-KBPBESRZSA-N 1 0 263.381 3.229 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H](CO)c2ccccc2)c(O)c1C ZINC000273587892 378753612 /nfs/dbraw/zinc/75/36/12/378753612.db2.gz OHIHEGUITUSGQC-RHSMWYFYSA-N 1 0 285.387 3.393 20 10 CGCDRO CSC[C@H](C)[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000273577864 378754894 /nfs/dbraw/zinc/75/48/94/378754894.db2.gz MBGSJKSEITUUEP-CMPLNLGQSA-N 1 0 253.411 3.411 20 10 CGCDRO CCC[C@H](CCO)C[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000273607207 378756138 /nfs/dbraw/zinc/75/61/38/378756138.db2.gz UNCHHFZENCRBJI-HUUCEWRRSA-N 1 0 279.424 3.458 20 10 CGCDRO CCOc1cccc(C[NH2+]CC[C@@H]2CCO[C@@H](C)C2)c1O ZINC000273005158 378732844 /nfs/dbraw/zinc/73/28/44/378732844.db2.gz AVXRWZUSOXYYAU-UONOGXRCSA-N 1 0 293.407 3.086 20 10 CGCDRO CC[C@H]([NH2+]C[C@H]1CCO[C@H](C)C1)c1ccccc1O ZINC000274901785 378916531 /nfs/dbraw/zinc/91/65/31/378916531.db2.gz LKKALBTUWNJEOC-IPYPFGDCSA-N 1 0 263.381 3.248 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H]2CCC(F)(F)C2)c1 ZINC000281786876 379845243 /nfs/dbraw/zinc/84/52/43/379845243.db2.gz UORCFWOSWFWEEH-LLVKDONJSA-N 1 0 285.334 3.316 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@]2(CO)CCCc3ccccc32)c1 ZINC000282401431 379912500 /nfs/dbraw/zinc/91/25/00/379912500.db2.gz PPXCOXLHPYUEAT-LJQANCHMSA-N 1 0 297.398 3.014 20 10 CGCDRO CCSCCC[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000282442202 379921466 /nfs/dbraw/zinc/92/14/66/379921466.db2.gz DWPNQOBNZAWTAD-JTQLQIEISA-N 1 0 257.374 3.325 20 10 CGCDRO C[C@H]([NH2+][C@H]1CSC1(C)C)c1cc(F)ccc1O ZINC000283142448 380038156 /nfs/dbraw/zinc/03/81/56/380038156.db2.gz HIKCGZJCSSZMED-UFBFGSQYSA-N 1 0 255.358 3.076 20 10 CGCDRO Cc1noc(C)c1C[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000284258146 380136661 /nfs/dbraw/zinc/13/66/61/380136661.db2.gz WDHOAMMALWJVEB-LBPRGKRZSA-N 1 0 274.364 3.465 20 10 CGCDRO CCOCCC1(C[NH2+][C@@H](C)c2cc(F)ccc2O)CC1 ZINC000186155668 262082066 /nfs/dbraw/zinc/08/20/66/262082066.db2.gz KRNIFDQHPLQVTP-LBPRGKRZSA-N 1 0 281.371 3.389 20 10 CGCDRO CCOC[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000093418837 392237008 /nfs/dbraw/zinc/23/70/08/392237008.db2.gz SBEHPBHCFZNVDA-MRXNPFEDSA-N 1 0 276.424 3.001 20 10 CGCDRO CCCOc1ccc(C[N@@H+]2CC[C@H](OC)C[C@H]2C)c(O)c1 ZINC000282206884 392284687 /nfs/dbraw/zinc/28/46/87/392284687.db2.gz HDKRDBSTLNTTQX-HIFRSBDPSA-N 1 0 293.407 3.180 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H](C)Cc2cccs2)c1O ZINC000124689681 392435677 /nfs/dbraw/zinc/43/56/77/392435677.db2.gz GGILTKVTOYGYBZ-LBPRGKRZSA-N 1 0 261.390 3.483 20 10 CGCDRO CCOCC(C)(C)C[NH2+][C@H](CC)c1ccccc1O ZINC000290459068 392447456 /nfs/dbraw/zinc/44/74/56/392447456.db2.gz WIEOPSLMIGXWID-CQSZACIVSA-N 1 0 265.397 3.496 20 10 CGCDRO CCC(CC)[N@H+](CCOC)Cc1cccc(OC)c1O ZINC000133491156 392463571 /nfs/dbraw/zinc/46/35/71/392463571.db2.gz YMVVSGBXGZDBHO-UHFFFAOYSA-N 1 0 281.396 3.038 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)[C@H]1CCOC1 ZINC000135213084 392474883 /nfs/dbraw/zinc/47/48/83/392474883.db2.gz CPZHQPVXFXKJAM-RDJZCZTQSA-N 1 0 288.435 3.192 20 10 CGCDRO C[C@H]1CO[C@@H](c2ccccc2)C[N@@H+]1Cc1ccccc1O ZINC000179568520 392704637 /nfs/dbraw/zinc/70/46/37/392704637.db2.gz LNKBDYHLDPLBKZ-KBXCAEBGSA-N 1 0 283.371 3.354 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000179582148 392704953 /nfs/dbraw/zinc/70/49/53/392704953.db2.gz NKPWQRHDXGPYPC-OAHLLOKOSA-N 1 0 275.373 3.027 20 10 CGCDRO COc1ccc(C[NH2+]C[C@@H]2CCN2C2CCCC2)cc1C ZINC000527808912 542743404 /nfs/dbraw/zinc/74/34/04/542743404.db2.gz QZVLYKCBBNCLEQ-KRWDZBQOSA-N 1 0 288.435 3.110 20 10 CGCDRO COc1cccc(C[NH2+]Cc2cc(C)cc(Cl)n2)c1O ZINC000281911279 393368887 /nfs/dbraw/zinc/36/88/87/393368887.db2.gz GGUDJKJILNOQNM-UHFFFAOYSA-N 1 0 292.766 3.047 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCCOCC(C)C)c1 ZINC000035628900 172308296 /nfs/dbraw/zinc/30/82/96/172308296.db2.gz NOBYWDFSNVINRJ-AWEZNQCLSA-N 1 0 265.397 3.414 20 10 CGCDRO c1ccc(CCC[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000037362753 173151671 /nfs/dbraw/zinc/15/16/71/173151671.db2.gz KFUAOFBSJOKQJQ-UHFFFAOYSA-N 1 0 267.372 3.344 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccc3c(c2)OCCO3)c1 ZINC000192743859 227278207 /nfs/dbraw/zinc/27/82/07/227278207.db2.gz MSSQFXGZVFUJCQ-ZDUSSCGKSA-N 1 0 299.370 3.323 20 10 CGCDRO Cc1noc(C)c1C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000092328637 260269579 /nfs/dbraw/zinc/26/95/79/260269579.db2.gz HRWBPAIOWZVVFK-LLVKDONJSA-N 1 0 273.380 3.208 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H](C)N(CC)CC)c1ccccc1O ZINC000155039987 261097258 /nfs/dbraw/zinc/09/72/58/261097258.db2.gz GFPKKWFNLQBOKZ-UKRRQHHQSA-N 1 0 264.413 3.163 20 10 CGCDRO Cc1ccc(NC(=O)C[N@@H+](C)Cc2cc(C)ccc2O)cc1 ZINC000159162194 261179713 /nfs/dbraw/zinc/17/97/13/261179713.db2.gz KIKCPYPGLGUTAY-UHFFFAOYSA-N 1 0 298.386 3.080 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@@H]2CCOC(C)(C)C2)c(O)c1 ZINC000160481175 261215036 /nfs/dbraw/zinc/21/50/36/261215036.db2.gz PQEODPHNHNCYPK-CQSZACIVSA-N 1 0 293.407 3.228 20 10 CGCDRO CCOc1cccc(C[N@H+](C)Cc2ccco2)c1O ZINC000162154383 261271639 /nfs/dbraw/zinc/27/16/39/261271639.db2.gz VAWBFGOQAGXCDK-UHFFFAOYSA-N 1 0 261.321 3.016 20 10 CGCDRO CCCOc1ccc(C[N@H+](C)Cc2ccco2)c(O)c1 ZINC000162170739 261272427 /nfs/dbraw/zinc/27/24/27/261272427.db2.gz IZQZJSMZYYDJTH-UHFFFAOYSA-N 1 0 275.348 3.406 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](C)c1cnn(C)c1)c1ccc(N(C)C)cc1 ZINC000163890656 261333652 /nfs/dbraw/zinc/33/36/52/261333652.db2.gz KEAWBXBTXAPNNU-SUMWQHHRSA-N 1 0 286.423 3.288 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1CCCC[C@@H]1O)c1ccc(N(C)C)cc1 ZINC000165262165 261367428 /nfs/dbraw/zinc/36/74/28/261367428.db2.gz FKVIPMFXOJRUIO-ZACQAIPSSA-N 1 0 276.424 3.097 20 10 CGCDRO COc1cc(F)cc(C[NH2+][C@@H](C)c2ccccc2O)c1 ZINC000183635438 261983450 /nfs/dbraw/zinc/98/34/50/261983450.db2.gz HBDAFIGNAMOLPD-NSHDSACASA-N 1 0 275.323 3.391 20 10 CGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2C)c1O ZINC000184691852 262026013 /nfs/dbraw/zinc/02/60/13/262026013.db2.gz HKTKBNVINSJIKK-VIFPVBQESA-N 1 0 255.745 3.039 20 10 CGCDRO COc1cc(Cl)cc(C[N@H+](C)Cc2ccncc2)c1O ZINC000184745063 262027491 /nfs/dbraw/zinc/02/74/91/262027491.db2.gz DUPVCFKPDHQFCB-UHFFFAOYSA-N 1 0 292.766 3.081 20 10 CGCDRO C[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1ccc(F)cc1[O-] ZINC000184944430 262034950 /nfs/dbraw/zinc/03/49/50/262034950.db2.gz QECMIIFZNDSZLA-QFYYESIMSA-N 1 0 293.313 3.055 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)c2cccc(F)c2)c1 ZINC000185162289 262043894 /nfs/dbraw/zinc/04/38/94/262043894.db2.gz DOEOVECHSRDBKA-PXAZEXFGSA-N 1 0 289.350 3.224 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)c2ccccc2C)c1 ZINC000185435159 262054472 /nfs/dbraw/zinc/05/44/72/262054472.db2.gz LDORSXLQHWTZNO-KSSFIOAISA-N 1 0 285.387 3.393 20 10 CGCDRO Cc1noc(C)c1C[C@H](C)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000185502104 262056968 /nfs/dbraw/zinc/05/69/68/262056968.db2.gz HZTJWMSZTWWFBM-VHSXEESVSA-N 1 0 292.354 3.418 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1cc(Cl)ccc1O ZINC000185531371 262058613 /nfs/dbraw/zinc/05/86/13/262058613.db2.gz FKZVARLNVWZUBU-GYSYKLTISA-N 1 0 283.799 3.247 20 10 CGCDRO Cc1cccc(C[NH+]2CCC(O)(c3ccccc3)CC2)c1O ZINC000185638421 262063815 /nfs/dbraw/zinc/06/38/15/262063815.db2.gz CZWQTGRBTIAMFB-UHFFFAOYSA-N 1 0 297.398 3.184 20 10 CGCDRO Cc1cccc([C@@H](O)C[NH2+][C@@H](C)c2ccc(C)cc2O)c1 ZINC000186124864 262080940 /nfs/dbraw/zinc/08/09/40/262080940.db2.gz XFMWPXDQWRDTIV-KSSFIOAISA-N 1 0 285.387 3.393 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)c1cn(C)nc1C)c1ccccc1O ZINC000186173709 262082561 /nfs/dbraw/zinc/08/25/61/262082561.db2.gz ZHRVQMVWGJMYGT-ABAIWWIYSA-N 1 0 273.380 3.236 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000372434216 262268564 /nfs/dbraw/zinc/26/85/64/262268564.db2.gz YFFOGPRPTBNWCO-UHFFFAOYSA-N 1 0 291.782 3.148 20 10 CGCDRO CCOCCCC[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000185070919 262300735 /nfs/dbraw/zinc/30/07/35/262300735.db2.gz BCMLKOUPKYZTOC-ZDUSSCGKSA-N 1 0 251.370 3.168 20 10 CGCDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])c1nccs1 ZINC000186727409 262322376 /nfs/dbraw/zinc/32/23/76/262322376.db2.gz QOKTWETXUHNHHE-UWVGGRQHSA-N 1 0 280.368 3.442 20 10 CGCDRO CO[C@H](C[NH2+][C@H]1CCc2cccc(O)c21)Cc1ccccc1 ZINC000296333354 263190091 /nfs/dbraw/zinc/19/00/91/263190091.db2.gz HJWTXGOBTXUFKE-IRXDYDNUSA-N 1 0 297.398 3.227 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+][C@H](CO)Cc2ccccc2)c(O)c1 ZINC000294112604 265007187 /nfs/dbraw/zinc/00/71/87/265007187.db2.gz KDHQYECDJCOUBI-WBVHZDCISA-N 1 0 299.414 3.263 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H](C)c2ncccc2F)c1O ZINC000527826253 270138458 /nfs/dbraw/zinc/13/84/58/270138458.db2.gz JJMXCNJBTVUYNV-NSHDSACASA-N 1 0 290.338 3.176 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@]3(C2)CCCOC3)cc1C ZINC000376758484 268014297 /nfs/dbraw/zinc/01/42/97/268014297.db2.gz PRLUDSZFHUERGD-KRWDZBQOSA-N 1 0 275.392 3.012 20 10 CGCDRO COCC[C@@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1ccco1 ZINC000296427171 277236287 /nfs/dbraw/zinc/23/62/87/277236287.db2.gz LTTWCQHFGYLQCP-ZIAGYGMSSA-N 1 0 287.359 3.340 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCc3nn(C)cc32)c(O)c1 ZINC000282346688 278854699 /nfs/dbraw/zinc/85/46/99/278854699.db2.gz GVTXVBGNAUJVAK-SWLSCSKDSA-N 1 0 285.391 3.162 20 10 CGCDRO CO[C@H](C[NH2+][C@@H](C)c1ccccc1O)C(C)(C)C ZINC000183539430 327820465 /nfs/dbraw/zinc/82/04/65/327820465.db2.gz CYRGPGCDRCDXMP-SMDDNHRTSA-N 1 0 251.370 3.104 20 10 CGCDRO COCC[C@@H]([NH2+][C@@H](C)c1ccccc1O)c1ccco1 ZINC000272862803 328201164 /nfs/dbraw/zinc/20/11/64/328201164.db2.gz NDJBPUAEYJSGRQ-GXTWGEPZSA-N 1 0 275.348 3.414 20 10 CGCDRO CSC1(C[N@H+](C)Cc2ccc(N(C)C)cc2)CC1 ZINC000284020779 328245402 /nfs/dbraw/zinc/24/54/02/328245402.db2.gz KUJMCXQQLKMICP-UHFFFAOYSA-N 1 0 264.438 3.080 20 10 CGCDRO CC[C@H](C[NH2+][C@@H](C)c1cc(Cl)ccc1O)OC ZINC000290049177 328257751 /nfs/dbraw/zinc/25/77/51/328257751.db2.gz DYVFPRINMWVZSY-GXSJLCMTSA-N 1 0 257.761 3.121 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@H](CCO)C(C)(C)C)c(O)c1 ZINC000290845123 328260579 /nfs/dbraw/zinc/26/05/79/328260579.db2.gz JFHBPYDGCVIQOH-MRXNPFEDSA-N 1 0 295.423 3.068 20 10 CGCDRO CC[C@@](C)([NH2+]Cc1cccc(OC)c1O)c1nccs1 ZINC000152618065 327563191 /nfs/dbraw/zinc/56/31/91/327563191.db2.gz CFNWSWUVABKFBV-OAHLLOKOSA-N 1 0 292.404 3.272 20 10 CGCDRO CC[C@@H](CSC)[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000169093714 329063797 /nfs/dbraw/zinc/06/37/97/329063797.db2.gz PBMHMKGMTFWRSN-NSHDSACASA-N 1 0 289.828 3.285 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3ccccn3)C2)c(O)c1 ZINC000186171905 329339005 /nfs/dbraw/zinc/33/90/05/329339005.db2.gz CABKQQRUNCRVGG-LSDHHAIUSA-N 1 0 297.402 3.025 20 10 CGCDRO C[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])c1cn[nH]c1 ZINC000229883180 329358395 /nfs/dbraw/zinc/35/83/95/329358395.db2.gz RPAFTLXQOUYHIM-ZETCQYMHSA-N 1 0 286.162 3.273 20 10 CGCDRO Oc1ccccc1C[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000527773772 330282196 /nfs/dbraw/zinc/28/21/96/330282196.db2.gz QSCTXEXHUUAIKJ-QGZVFWFLSA-N 1 0 268.360 3.418 20 10 CGCDRO COCCC1CC[NH+]([C@H](C)c2ccccc2O)CC1 ZINC000527938035 330293718 /nfs/dbraw/zinc/29/37/18/330293718.db2.gz XWADPUWMRIDGOO-CYBMUJFWSA-N 1 0 263.381 3.202 20 10 CGCDRO COCCC1CC[NH+]([C@H](C)c2cc(OC)ccc2O)CC1 ZINC000527933036 330297648 /nfs/dbraw/zinc/29/76/48/330297648.db2.gz HFNUTQCUSZJYSM-CYBMUJFWSA-N 1 0 293.407 3.210 20 10 CGCDRO CCC(CC)[C@H](O)C[NH2+][C@@H](CC)c1ccccc1O ZINC000155786433 330698856 /nfs/dbraw/zinc/69/88/56/330698856.db2.gz SFHXACUTHCTBOY-GOEBONIOSA-N 1 0 265.397 3.230 20 10 CGCDRO Cc1ccc(F)cc1C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000226506811 333263642 /nfs/dbraw/zinc/26/36/42/333263642.db2.gz QVNGEVGARLHTNA-UHFFFAOYSA-N 1 0 272.367 3.490 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H](C)c2ncccc2F)c1O ZINC000529691533 333506012 /nfs/dbraw/zinc/50/60/12/333506012.db2.gz YYBCOHNPDDMOMO-NSHDSACASA-N 1 0 260.312 3.086 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CC[C@](C)(O)c2ccccc2)cc1 ZINC000189833550 500767917 /nfs/dbraw/zinc/76/79/17/500767917.db2.gz ZDNDFFPZDWJLQA-IBGZPJMESA-N 1 0 298.430 3.140 20 10 CGCDRO C=Cn1cc(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)cn1 ZINC000278205001 519321715 /nfs/dbraw/zinc/32/17/15/519321715.db2.gz JMMGEIFSHPIMKY-UHFFFAOYSA-N 1 0 296.418 3.214 20 10 CGCDRO CC1(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)COC1 ZINC000264834807 520733562 /nfs/dbraw/zinc/73/35/62/520733562.db2.gz SCDRGKQIHCZMJN-UHFFFAOYSA-N 1 0 283.371 3.185 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@](C)(OC)CC2)c1 ZINC000280137858 521143451 /nfs/dbraw/zinc/14/34/51/521143451.db2.gz CUXPVYHEQPJGBW-KRWDZBQOSA-N 1 0 293.407 3.182 20 10 CGCDRO CCOc1ccc(O)c(C[NH+]2CCC(C)(OCC)CC2)c1 ZINC000292779383 521145117 /nfs/dbraw/zinc/14/51/17/521145117.db2.gz LHZKMJXDWPLRJI-UHFFFAOYSA-N 1 0 293.407 3.182 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]CCSC(C)C)c1 ZINC000290172895 521151683 /nfs/dbraw/zinc/15/16/83/521151683.db2.gz REEDPNAUGJUBRG-UHFFFAOYSA-N 1 0 269.410 3.022 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CCS[C@H](C)[C@@H]2C)c1O ZINC000093500477 521341080 /nfs/dbraw/zinc/34/10/80/521341080.db2.gz MMIGYUUIRWGXFR-NWDGAFQWSA-N 1 0 281.421 3.117 20 10 CGCDRO CCOc1cccc(C[NH2+]Cc2ccsc2)c1O ZINC000060942072 521367959 /nfs/dbraw/zinc/36/79/59/521367959.db2.gz GVSGZIYKMJRVLX-UHFFFAOYSA-N 1 0 263.362 3.142 20 10 CGCDRO CCCN(C[C@@H]1CCSC1)c1ccc(C[NH3+])cc1 ZINC000278659148 521676527 /nfs/dbraw/zinc/67/65/27/521676527.db2.gz MNUDKKMXCCZJQO-AWEZNQCLSA-N 1 0 264.438 3.115 20 10 CGCDRO CCC[N@H+](Cc1cn2ccccc2n1)Cc1ccccc1O ZINC000076746547 521691641 /nfs/dbraw/zinc/69/16/41/521691641.db2.gz GUGNVIILFVDCIE-UHFFFAOYSA-N 1 0 295.386 3.452 20 10 CGCDRO CN(C)[C@@H]1CCC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000096810793 522041693 /nfs/dbraw/zinc/04/16/93/522041693.db2.gz KYJYUOMNWKOZSH-OAHLLOKOSA-N 1 0 284.403 3.071 20 10 CGCDRO COC[C@@H](C)C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000044478412 522204413 /nfs/dbraw/zinc/20/44/13/522204413.db2.gz URUGYLBFNDANCS-HNNXBMFYSA-N 1 0 276.424 3.049 20 10 CGCDRO CC[C@@H](C)c1nnc([C@@H](C)[NH2+]Cc2cc(C)ccc2O)[nH]1 ZINC000277403038 522440192 /nfs/dbraw/zinc/44/01/92/522440192.db2.gz KUKDQMOTVDFSEW-VXGBXAGGSA-N 1 0 288.395 3.183 20 10 CGCDRO CC[C@H]([NH2+]CCOc1ncccc1F)c1ccccc1O ZINC000274916551 522596769 /nfs/dbraw/zinc/59/67/69/522596769.db2.gz OILDJWLDELYOMO-AWEZNQCLSA-N 1 0 290.338 3.046 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](C)SC)c1ccc(C)cc1O ZINC000280214617 522605610 /nfs/dbraw/zinc/60/56/10/522605610.db2.gz UJCRYHZBNIHACT-YPMHNXCESA-N 1 0 253.411 3.493 20 10 CGCDRO CC[C@H]([NH2+]Cc1cccc(C(N)=O)c1)c1ccc(C)cc1O ZINC000280173509 522651921 /nfs/dbraw/zinc/65/19/21/522651921.db2.gz RGWPMBGYVNSJPV-INIZCTEOSA-N 1 0 298.386 3.040 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCN2CCCC[C@@H]12)c1ccc(C)cc1O ZINC000280097514 522756874 /nfs/dbraw/zinc/75/68/74/522756874.db2.gz MWFKXBSMKAJKEV-ULQDDVLXSA-N 1 0 288.435 3.368 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCOC[C@H]1C)c1ccc(C)cc1O ZINC000280161284 522757473 /nfs/dbraw/zinc/75/74/73/522757473.db2.gz QRYODXJRLWCUGR-SNPRPXQTSA-N 1 0 263.381 3.166 20 10 CGCDRO CC[C@@H]([NH2+]C1CCN(C2CC2)CC1)c1ccccc1O ZINC000037140877 522811494 /nfs/dbraw/zinc/81/14/94/522811494.db2.gz QZPSIFBLCRHIQX-MRXNPFEDSA-N 1 0 274.408 3.060 20 10 CGCDRO CC[C@@H]([NH2+]CCCSC)c1ccc(C)cc1O ZINC000280007128 522830412 /nfs/dbraw/zinc/83/04/12/522830412.db2.gz GIZJOOYSWGAXDC-CYBMUJFWSA-N 1 0 253.411 3.494 20 10 CGCDRO CC[C@@H]([NH2+]CCc1ccncc1)c1ccc(C)cc1O ZINC000280235441 522842267 /nfs/dbraw/zinc/84/22/67/522842267.db2.gz VOBPNHYRYZRDBH-MRXNPFEDSA-N 1 0 270.376 3.379 20 10 CGCDRO CC[C@@H]([NH2+]CCc1nccs1)c1ccc(N(C)C)cc1 ZINC000127915746 522844426 /nfs/dbraw/zinc/84/44/26/522844426.db2.gz ANGORJZRMLJDMQ-OAHLLOKOSA-N 1 0 289.448 3.493 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@](C)(O)c1ccccc1)c1ccccc1O ZINC000121100746 522856470 /nfs/dbraw/zinc/85/64/70/522856470.db2.gz KLPYWKVCSCKDRQ-SJLPKXTDSA-N 1 0 285.387 3.341 20 10 CGCDRO CCn1cc([C@@H](C)[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000274777267 523460327 /nfs/dbraw/zinc/46/03/27/523460327.db2.gz OIIZWLLSCWQJHE-UONOGXRCSA-N 1 0 286.423 3.381 20 10 CGCDRO Cc1cccc(C[NH2+]C[C@@H](O)c2ccc(Cl)cc2)c1O ZINC000292850887 524432050 /nfs/dbraw/zinc/43/20/50/524432050.db2.gz UBQPEQUZEDPRST-OAHLLOKOSA-N 1 0 291.778 3.177 20 10 CGCDRO COc1ccc(O)c(C[NH+]2CCC(C3CC3)CC2)c1 ZINC000366535905 524739111 /nfs/dbraw/zinc/73/91/11/524739111.db2.gz XPNJJKDSWOATSL-UHFFFAOYSA-N 1 0 261.365 3.023 20 10 CGCDRO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000292797628 524817560 /nfs/dbraw/zinc/81/75/60/524817560.db2.gz NCUDCGHIJOJTBD-YJBOKZPZSA-N 1 0 288.435 3.022 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccncc1 ZINC000050286062 525449756 /nfs/dbraw/zinc/44/97/56/525449756.db2.gz XDKOQCXPMPSRCH-AWEZNQCLSA-N 1 0 281.403 3.315 20 10 CGCDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1O ZINC000040675884 525463169 /nfs/dbraw/zinc/46/31/69/525463169.db2.gz NILCULFHLXUBOW-GFCCVEGCSA-N 1 0 286.331 3.194 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)c(O)c1 ZINC000037668328 525927802 /nfs/dbraw/zinc/92/78/02/525927802.db2.gz PQQCHTHRFQGCJB-LBPRGKRZSA-N 1 0 286.331 3.460 20 10 CGCDRO Cc1cnccc1C[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000228657508 526234406 /nfs/dbraw/zinc/23/44/06/526234406.db2.gz OZHXUAZYUIEFMI-UHFFFAOYSA-N 1 0 281.403 3.062 20 10 CGCDRO Cc1nnc(CC[NH2+][C@H](C)c2ccc(C)c(C)c2O)s1 ZINC000289901942 526329501 /nfs/dbraw/zinc/32/95/01/526329501.db2.gz TYUITJQJSOZTPC-LLVKDONJSA-N 1 0 291.420 3.062 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCCO[C@H](C)C2)cc1C(C)C ZINC000738161069 571932997 /nfs/dbraw/zinc/93/29/97/571932997.db2.gz LTBXPWIJUMGCJJ-CQSZACIVSA-N 1 0 277.408 3.435 20 10 CGCDRO CCc1cc(C[N@H+](C)[C@@H]2CCOC2)c(O)c(C(C)(C)C)c1 ZINC000730260318 572333826 /nfs/dbraw/zinc/33/38/26/572333826.db2.gz OSKRMJFNMAJBMV-OAHLLOKOSA-N 1 0 291.435 3.473 20 10 CGCDRO CCCC[N@H+](CCOC)Cc1cc(C)c(C)cc1O ZINC000731660655 572422119 /nfs/dbraw/zinc/42/21/19/572422119.db2.gz FFPLADJNJCXTGZ-UHFFFAOYSA-N 1 0 265.397 3.258 20 10 CGCDRO Cc1cc(C[NH2+]CC2(O)CCC2)c(C)n1-c1cccc(C)c1 ZINC000732229652 572453869 /nfs/dbraw/zinc/45/38/69/572453869.db2.gz TTWNDEHRMROWHG-UHFFFAOYSA-N 1 0 298.430 3.407 20 10 CGCDRO CC(C)C(C)(C)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000732229660 572454105 /nfs/dbraw/zinc/45/41/05/572454105.db2.gz URPPJJIDZVSRJG-UHFFFAOYSA-N 1 0 294.414 3.187 20 10 CGCDRO CCOc1ccc(C[NH2+]C[C@@](C)(O)CCC(C)C)c(O)c1 ZINC000740899892 572467509 /nfs/dbraw/zinc/46/75/09/572467509.db2.gz HIDXHDNBVULAPV-KRWDZBQOSA-N 1 0 295.423 3.068 20 10 CGCDRO Cc1ccoc1C[NH2+]Cc1ccc(N(C)C)cc1C ZINC000742371358 572569338 /nfs/dbraw/zinc/56/93/38/572569338.db2.gz RZQJYYHHRANHJW-UHFFFAOYSA-N 1 0 258.365 3.252 20 10 CGCDRO Oc1cc2c(cc1C[NH2+][C@@H]1CC[C@H]3CCC[C@@H]3C1)OCO2 ZINC000742379638 572571032 /nfs/dbraw/zinc/57/10/32/572571032.db2.gz YZGOILVDGHHWER-YRGRVCCFSA-N 1 0 289.375 3.179 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2CCOC[C@H]2CC(C)C)cc1C ZINC000733789042 572604696 /nfs/dbraw/zinc/60/46/96/572604696.db2.gz KLUHVAOVNTZSGH-MRXNPFEDSA-N 1 0 277.408 3.256 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000734508948 572661894 /nfs/dbraw/zinc/66/18/94/572661894.db2.gz FBLAIQMHWPGTHF-UHFFFAOYSA-N 1 0 294.402 3.227 20 10 CGCDRO C[N@H+](Cc1ccc(N2CCCCC2)cc1)CC1(C)COC1 ZINC000743839527 572686941 /nfs/dbraw/zinc/68/69/41/572686941.db2.gz IZXBFASCWASPSM-UHFFFAOYSA-N 1 0 288.435 3.145 20 10 CGCDRO Oc1ccc(CCC[NH2+]Cc2c(O)cccc2Cl)cc1 ZINC000735677683 572737407 /nfs/dbraw/zinc/73/74/07/572737407.db2.gz SXKCMINNDNNALI-UHFFFAOYSA-N 1 0 291.778 3.474 20 10 CGCDRO COC1CCC(C[NH2+]Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000749923287 573058782 /nfs/dbraw/zinc/05/87/82/573058782.db2.gz UCVFCZITTIFCAI-UHFFFAOYSA-N 1 0 294.414 3.187 20 10 CGCDRO C[C@@H]1CC[C@@H](C)C1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000749925559 573060432 /nfs/dbraw/zinc/06/04/32/573060432.db2.gz YDBHPIOCFDHNQM-HUUCEWRRSA-N 1 0 288.435 3.047 20 10 CGCDRO Oc1cc2c(cc1C[N@@H+]1CCOC3(CCC3)C1)CCCC2 ZINC000160524552 618086316 /nfs/dbraw/zinc/08/63/16/618086316.db2.gz LAGWMCYLXFHOPO-UHFFFAOYSA-N 1 0 287.403 3.026 20 10 CGCDRO CCC[N@H+](CCSCC)Cc1ccccc1O ZINC000160159653 617608083 /nfs/dbraw/zinc/60/80/83/617608083.db2.gz VYFIHLRKFAFKTN-UHFFFAOYSA-N 1 0 253.411 3.357 20 10 CGCDRO COc1cc(C[NH+]2C[C@H](C)S[C@@H](C)C2)c(O)cc1C ZINC000160301901 617930604 /nfs/dbraw/zinc/93/06/04/617930604.db2.gz KKQFRQYTNRESRB-RYUDHWBXSA-N 1 0 281.421 3.035 20 10 CGCDRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)C1 ZINC000742369063 618097161 /nfs/dbraw/zinc/09/71/61/618097161.db2.gz VNDCTIJZGXLNHQ-DGCLKSJQSA-N 1 0 250.361 3.170 20 10 CGCDRO CCC[C@@H](CC)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000050401166 618099284 /nfs/dbraw/zinc/09/92/84/618099284.db2.gz PDIGMSOSNODOSE-MRXNPFEDSA-N 1 0 276.424 3.192 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](C)[C@H]2CC)c1O ZINC000187576004 618110053 /nfs/dbraw/zinc/11/00/53/618110053.db2.gz TYPWITSBVAQUCT-TZMCWYRMSA-N 1 0 263.381 3.411 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1O)c1ccc2ccccc2c1O ZINC000248487925 618167300 /nfs/dbraw/zinc/16/73/00/618167300.db2.gz GJPAROGJZLKJGQ-IUIKQTSFSA-N 1 0 271.360 3.109 20 10 CGCDRO Cc1cc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)cnc1F ZINC000891397771 618185681 /nfs/dbraw/zinc/18/56/81/618185681.db2.gz REQQOBXWYJDQSC-UHFFFAOYSA-N 1 0 287.382 3.227 20 10 CGCDRO COc1ccc(C[N@@H+]2CCC[C@@H](C)[C@H]2C)c(O)c1OC ZINC000891861548 618346618 /nfs/dbraw/zinc/34/66/18/618346618.db2.gz HKJAXZBAUWQEPH-VXGBXAGGSA-N 1 0 279.380 3.030 20 10 CGCDRO COc1ccc(O)c(C[NH2+]Cc2cscc2C)c1 ZINC000094878259 618417575 /nfs/dbraw/zinc/41/75/75/618417575.db2.gz PEJZCGBMAMSJGA-UHFFFAOYSA-N 1 0 263.362 3.061 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCCCn2ccnc2)c(O)c1 ZINC000045105628 618618941 /nfs/dbraw/zinc/61/89/41/618618941.db2.gz LHAULCGOGDDUBN-CQSZACIVSA-N 1 0 273.380 3.028 20 10 CGCDRO CC(C)(NCc1cc(Br)ccc1O)C(F)F ZINC000309700208 618765282 /nfs/dbraw/zinc/76/52/82/618765282.db2.gz SODNNBFRPORIMR-UHFFFAOYSA-N 1 0 294.139 3.288 20 10 CGCDRO CC1(C)SC[C@@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000309754033 618768024 /nfs/dbraw/zinc/76/80/24/618768024.db2.gz HHNWMIKLUFIVLO-NSHDSACASA-N 1 0 257.786 3.029 20 10 CGCDRO COC1([C@@H](C)[NH2+][C@@H](C)c2cc(C)ccc2O)CCC1 ZINC000840884924 618876827 /nfs/dbraw/zinc/87/68/27/618876827.db2.gz RQUPEIZLUUOZGI-QWHCGFSZSA-N 1 0 263.381 3.309 20 10 CGCDRO CS[C@@H]1CC[C@H]([NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000310928862 618878945 /nfs/dbraw/zinc/87/89/45/618878945.db2.gz BSTPUCNPJMYTHD-XQQFMLRXSA-N 1 0 263.406 3.253 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCCC(F)(F)[C@H]1O)c1ccc(C)cc1O ZINC000840886727 618892162 /nfs/dbraw/zinc/89/21/62/618892162.db2.gz OGFSSMHGYBMTNL-GUTXKFCHSA-N 1 0 299.361 3.290 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](CO)C2)c(O)c1C ZINC000840895621 618963697 /nfs/dbraw/zinc/96/36/97/618963697.db2.gz PDZVLTREMDLTBH-RRFJBIMHSA-N 1 0 277.408 3.211 20 10 CGCDRO CC[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000893087442 618991617 /nfs/dbraw/zinc/99/16/17/618991617.db2.gz WBXZKNMFNDVLQU-VXGBXAGGSA-N 1 0 281.396 3.324 20 10 CGCDRO CC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000893107399 618997141 /nfs/dbraw/zinc/99/71/41/618997141.db2.gz BOJARMZHJRLWSS-AAEUAGOBSA-N 1 0 279.380 3.078 20 10 CGCDRO Cc1ccccc1OCC[NH2+][C@@H](C)c1ccccc1O ZINC000183459197 619044436 /nfs/dbraw/zinc/04/44/36/619044436.db2.gz BZZFVGKUFNYWPY-AWEZNQCLSA-N 1 0 271.360 3.430 20 10 CGCDRO CC[C@H]([NH2+]C[C@H](O)CC(C)C)c1cc(Cl)ccc1O ZINC000775498253 619075021 /nfs/dbraw/zinc/07/50/21/619075021.db2.gz ZNSDACMJUQAJMU-OCCSQVGLSA-N 1 0 285.815 3.493 20 10 CGCDRO CC[C@H]([NH2+]CCN(CC)C(C)C)c1ccccc1O ZINC000775499954 619075027 /nfs/dbraw/zinc/07/50/27/619075027.db2.gz HUVVZDBWCMSESW-HNNXBMFYSA-N 1 0 264.413 3.163 20 10 CGCDRO COC1(C[NH2+]Cc2ccc3c(c2)CCO3)CCCCC1 ZINC000187449521 619077013 /nfs/dbraw/zinc/07/70/13/619077013.db2.gz LNQVMTNFWXDLSR-UHFFFAOYSA-N 1 0 275.392 3.060 20 10 CGCDRO Cc1ccncc1C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000162711017 619134210 /nfs/dbraw/zinc/13/42/10/619134210.db2.gz YLHXSAKJOIZUMM-LLVKDONJSA-N 1 0 260.312 3.086 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]CCOCC1CCCC1 ZINC000313250161 619165506 /nfs/dbraw/zinc/16/55/06/619165506.db2.gz BXTLCRXDRANNEJ-UHFFFAOYSA-N 1 0 283.799 3.342 20 10 CGCDRO CCOCC(C)(C)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000313575739 619177564 /nfs/dbraw/zinc/17/75/64/619177564.db2.gz WOTPASKPBJNZLI-CQSZACIVSA-N 1 0 278.440 3.466 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](COC)C2)cc1 ZINC000093338101 619185967 /nfs/dbraw/zinc/18/59/67/619185967.db2.gz JPVQNSHKJHUQFI-QGZVFWFLSA-N 1 0 290.451 3.391 20 10 CGCDRO CSC[C@@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000093761045 619214877 /nfs/dbraw/zinc/21/48/77/619214877.db2.gz GBDCKWZIFVZITN-LBPRGKRZSA-N 1 0 271.813 3.373 20 10 CGCDRO COc1cccc(CC[NH2+][C@@H](C)c2cc(F)ccc2O)c1 ZINC000185040633 619222004 /nfs/dbraw/zinc/22/20/04/619222004.db2.gz JEZWRSDHILHZGF-LBPRGKRZSA-N 1 0 289.350 3.433 20 10 CGCDRO c1cc(C[NH2+][C@@H]2CC3CCC2CC3)cc2c1OCC2 ZINC000312068284 619241179 /nfs/dbraw/zinc/24/11/79/619241179.db2.gz GHOMXBGIDLDQGQ-LDZOIKDWSA-N 1 0 257.377 3.290 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@](C)(CC)OC)c1ccccc1O ZINC000322750340 619251499 /nfs/dbraw/zinc/25/14/99/619251499.db2.gz CDFXBTFPKWFFFU-UKRRQHHQSA-N 1 0 251.370 3.248 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](C)[C@@](C)(OC)C2CC2)c1 ZINC000840961677 619281606 /nfs/dbraw/zinc/28/16/06/619281606.db2.gz XLNVCZJSDBXVHB-YVEFUNNKSA-N 1 0 293.407 3.084 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CCc2cccc(O)c21)c1ccc2c(c1)OCO2 ZINC000319272006 619291102 /nfs/dbraw/zinc/29/11/02/619291102.db2.gz RJSIFDXPNRJWBA-RISCZKNCSA-N 1 0 297.354 3.459 20 10 CGCDRO Cc1ccncc1C[NH2+][C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000840977078 619308694 /nfs/dbraw/zinc/30/86/94/619308694.db2.gz QSFLXSCTQQRDQS-INIZCTEOSA-N 1 0 297.446 3.485 20 10 CGCDRO CCC[N@H+](Cc1ccccc1O)Cc1c(C)ccnc1N ZINC000893983295 619346562 /nfs/dbraw/zinc/34/65/62/619346562.db2.gz AEESATWELZAVDO-UHFFFAOYSA-N 1 0 285.391 3.090 20 10 CGCDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C12CCC2 ZINC000236975465 619380194 /nfs/dbraw/zinc/38/01/94/619380194.db2.gz FTUWPOJYLJUVCG-SJORKVTESA-N 1 0 289.419 3.441 20 10 CGCDRO COc1cc(C)cc(C[NH2+]C[C@H]2CC=CCC2)c1O ZINC000894210626 619425233 /nfs/dbraw/zinc/42/52/33/619425233.db2.gz HMUJNZADEXUTLJ-ZDUSSCGKSA-N 1 0 261.365 3.155 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@@H](C)c2c(C)noc2C)c1O ZINC000894275928 619461188 /nfs/dbraw/zinc/46/11/88/619461188.db2.gz FFDUFXIKMDHQKC-JTQLQIEISA-N 1 0 290.363 3.165 20 10 CGCDRO CCCC[C@H](COC)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894285147 619465713 /nfs/dbraw/zinc/46/57/13/619465713.db2.gz VIJXUMNFMNAKJR-CQSZACIVSA-N 1 0 281.396 3.004 20 10 CGCDRO COc1cc(C)cc(C[NH2+]Cc2c(C)cccc2F)c1O ZINC000894307389 619480252 /nfs/dbraw/zinc/48/02/52/619480252.db2.gz GUTIVXVDSWYYQO-UHFFFAOYSA-N 1 0 289.350 3.447 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cc(C)cc(OC)c1O)C1CCOCC1 ZINC000894324788 619492039 /nfs/dbraw/zinc/49/20/39/619492039.db2.gz BXUZEXUYLHAHDM-OAHLLOKOSA-N 1 0 293.407 3.004 20 10 CGCDRO COc1cc(C)cc(C[NH2+]C[C@]2(C)CCCS2)c1O ZINC000894329053 619493704 /nfs/dbraw/zinc/49/37/04/619493704.db2.gz FNXOKKYQAXYWLB-HNNXBMFYSA-N 1 0 281.421 3.085 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@H]2c3ccccc3O[C@H]2C)c1O ZINC000894785979 619634830 /nfs/dbraw/zinc/63/48/30/619634830.db2.gz BHAXZTOIUVHFOB-YVEFUNNKSA-N 1 0 299.370 3.321 20 10 CGCDRO CCC[C@H]([NH2+]Cc1ccc(OC)c(OC)c1O)C1CCC1 ZINC000894867499 619660184 /nfs/dbraw/zinc/66/01/84/619660184.db2.gz NLDRJVAMMKQXGO-AWEZNQCLSA-N 1 0 293.407 3.468 20 10 CGCDRO CO[C@@]1(C)C[C@@H]([NH2+]Cc2cc(C)c(C)cc2O)C1(C)C ZINC000237157934 619689836 /nfs/dbraw/zinc/68/98/36/619689836.db2.gz GYPZWDZZVCYCSH-WBVHZDCISA-N 1 0 277.408 3.302 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@H+]2CC[C@@H](OCC(C)C)C2)c1 ZINC000164493075 619704975 /nfs/dbraw/zinc/70/49/75/619704975.db2.gz SLVWGEXTFRSQOE-MRXNPFEDSA-N 1 0 277.408 3.256 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@](C)(O)CCC(C)C)c1 ZINC000185527979 625370432 /nfs/dbraw/zinc/37/04/32/625370432.db2.gz FYFDAWISSZMVHU-CXAGYDPISA-N 1 0 295.423 3.239 20 10 CGCDRO CCCOc1ccc(C[NH2+]C[C@@H]2CC(C)=NO2)cc1C ZINC000895301250 619800481 /nfs/dbraw/zinc/80/04/81/619800481.db2.gz HLAMRRTWTPEOAH-HNNXBMFYSA-N 1 0 276.380 3.038 20 10 CGCDRO CCOc1cccc(C[NH2+][C@H]2C[C@](C)(OC)C2(C)C)c1O ZINC000072926489 625380595 /nfs/dbraw/zinc/38/05/95/625380595.db2.gz LIVRYJWHXVMXHR-YOEHRIQHSA-N 1 0 293.407 3.084 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H](CO)CCc2ccccc2)c1O ZINC000896525325 620021525 /nfs/dbraw/zinc/02/15/25/620021525.db2.gz KLVLGEPIHWVUJC-GOSISDBHSA-N 1 0 299.414 3.038 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C(C)(C)/C=C\Cl)c1 ZINC000896747763 620055606 /nfs/dbraw/zinc/05/56/06/620055606.db2.gz OUFZSFIDLCBSHU-SREVYHEPSA-N 1 0 255.745 3.022 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2ccc3c(c2)C[C@@H](C)O3)c(O)c1 ZINC000896822885 620071634 /nfs/dbraw/zinc/07/16/34/620071634.db2.gz AOTFHIIIUKTDHC-CYBMUJFWSA-N 1 0 283.371 3.314 20 10 CGCDRO Cc1noc(C)c1[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000073007620 625407091 /nfs/dbraw/zinc/40/70/91/625407091.db2.gz LZMWJBBIMOEWDO-LLVKDONJSA-N 1 0 273.380 3.208 20 10 CGCDRO CC[C@@H]([NH2+]CC[C@@H]1CCCC[C@@H]1O)c1ccccc1O ZINC000897536326 620380216 /nfs/dbraw/zinc/38/02/16/620380216.db2.gz HKAMQXXGNPEBHJ-IMJJTQAJSA-N 1 0 277.408 3.374 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](CC(C)C)OC)c1 ZINC000841756061 620402364 /nfs/dbraw/zinc/40/23/64/620402364.db2.gz PNCQMUSCWBXAFG-JSGCOSHPSA-N 1 0 281.396 3.113 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H](C)c2cncs2)c1O ZINC000897934851 620452258 /nfs/dbraw/zinc/45/22/58/620452258.db2.gz QIPBIEVKSKEZGG-JTQLQIEISA-N 1 0 278.377 3.098 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H](C)Cc2cccnc2)cc1Cl ZINC000897967468 620458707 /nfs/dbraw/zinc/45/87/07/620458707.db2.gz QTQUMXYONVRUIW-GFCCVEGCSA-N 1 0 290.794 3.470 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@]23C[C@H]2COC32CCC2)c1O ZINC000898063319 620472862 /nfs/dbraw/zinc/47/28/62/620472862.db2.gz XZICRVMIENCGGG-DOTOQJQBSA-N 1 0 287.403 3.003 20 10 CGCDRO Oc1ccccc1C[NH2+][C@H](c1ccncc1)C1CC1 ZINC000898324285 620506918 /nfs/dbraw/zinc/50/69/18/620506918.db2.gz GEIUGDLQCWQDKT-INIZCTEOSA-N 1 0 254.333 3.028 20 10 CGCDRO Oc1c(C[NH2+][C@H]2COC[C@H]2C2CC2)ccc2ccccc21 ZINC000898380409 620515109 /nfs/dbraw/zinc/51/51/09/620515109.db2.gz NYCHJNAGLOTEIS-IRXDYDNUSA-N 1 0 283.371 3.060 20 10 CGCDRO CC[C@@H]([NH2+]C[C@]12CCC[C@H]1OCC2)c1ccccc1O ZINC000926915981 620546029 /nfs/dbraw/zinc/54/60/29/620546029.db2.gz LSCMIQPWRZZGFX-DJIMGWMZSA-N 1 0 275.392 3.392 20 10 CGCDRO C[NH2+]Cc1ccc(NCc2ccc(N(C)C)c(F)c2)cc1 ZINC000841072146 620897046 /nfs/dbraw/zinc/89/70/46/620897046.db2.gz WRMWKGLTALPVLB-UHFFFAOYSA-N 1 0 287.382 3.223 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2cnn(CCF)c2)c(O)c1 ZINC000903274956 621658294 /nfs/dbraw/zinc/65/82/94/621658294.db2.gz ULXOKGLCONVYRK-ZDUSSCGKSA-N 1 0 291.370 3.026 20 10 CGCDRO COC(C)(C)[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000903333450 621689610 /nfs/dbraw/zinc/68/96/10/621689610.db2.gz ZTVWZRVZXACOCM-QWHCGFSZSA-N 1 0 265.397 3.473 20 10 CGCDRO C[C@@H]([NH2+]C[C@]12C[C@H]1COC21CCC1)c1cc(F)ccc1O ZINC000903363942 621715639 /nfs/dbraw/zinc/71/56/39/621715639.db2.gz RKXARKTXYWVYKX-BFQNTYOBSA-N 1 0 291.366 3.141 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCOC23CCCC3)c(O)c1 ZINC000903383075 621724929 /nfs/dbraw/zinc/72/49/29/621724929.db2.gz LZDSKXYQOPSGIC-CZUORRHYSA-N 1 0 275.392 3.453 20 10 CGCDRO CCOc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)c(O)c1 ZINC000768138291 625527384 /nfs/dbraw/zinc/52/73/84/625527384.db2.gz SWDIKFROEIEHIX-BETUJISGSA-N 1 0 263.381 3.269 20 10 CGCDRO CC(C)O[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000840764715 625560637 /nfs/dbraw/zinc/56/06/37/625560637.db2.gz RLPTYEUMKAGIBZ-JLJPHGGASA-N 1 0 276.424 3.359 20 10 CGCDRO CC(C)[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000151074948 622729049 /nfs/dbraw/zinc/72/90/49/622729049.db2.gz XMYMKOVWPXHIDO-GOSISDBHSA-N 1 0 288.435 3.047 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](CO)CC(C)C)c1ccc(N(C)C)cc1 ZINC000151194892 622742820 /nfs/dbraw/zinc/74/28/20/622742820.db2.gz MEEDLUPMDWYGTH-NVXWUHKLSA-N 1 0 278.440 3.200 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H](CO)CC(C)C)cc1 ZINC000151187717 622743459 /nfs/dbraw/zinc/74/34/59/622743459.db2.gz ISIIHKZKLRQCSM-HOCLYGCPSA-N 1 0 278.440 3.200 20 10 CGCDRO C[C@H]([NH2+]CCN1CCC[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000156669812 622832529 /nfs/dbraw/zinc/83/25/29/622832529.db2.gz CQJVENBNDNTXBV-HOTGVXAUSA-N 1 0 289.467 3.135 20 10 CGCDRO COc1cc(C)cc(C[NH+]2C[C@@H]3CCCC[C@H]3C2)c1O ZINC000164465431 622835858 /nfs/dbraw/zinc/83/58/58/622835858.db2.gz BPZOMJMJJOVCAW-KBPBESRZSA-N 1 0 275.392 3.331 20 10 CGCDRO CCSCC[C@H](C)[NH2+]Cc1cc(OC)ccc1O ZINC000164729268 622844443 /nfs/dbraw/zinc/84/44/43/622844443.db2.gz SNQXBSPPYLIBLN-NSHDSACASA-N 1 0 269.410 3.022 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](O)CC(C)C)cc1 ZINC000224268587 622872289 /nfs/dbraw/zinc/87/22/89/622872289.db2.gz PUSNIJZXIDNJCU-KRWDZBQOSA-N 1 0 278.440 3.029 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]CC2CCCC2)c1O ZINC000228670607 623070608 /nfs/dbraw/zinc/07/06/08/623070608.db2.gz ABLMXJXQRFPBPZ-UHFFFAOYSA-N 1 0 269.772 3.334 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1C[C@@H](OC)C1(C)C)c1ccccc1O ZINC000229558869 623143585 /nfs/dbraw/zinc/14/35/85/623143585.db2.gz JQJKJSIADQYNST-NWANDNLSSA-N 1 0 263.381 3.246 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@H](C)Cc2ccc(F)cc2)c1 ZINC000062038058 623194467 /nfs/dbraw/zinc/19/44/67/623194467.db2.gz DKBORDFFRRLJNJ-GFCCVEGCSA-N 1 0 289.350 3.261 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)CC(F)(F)F)c1 ZINC000231791108 623343410 /nfs/dbraw/zinc/34/34/10/623343410.db2.gz IESOXQPCJYHXJH-IUCAKERBSA-N 1 0 277.286 3.392 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]Cc1cccs1 ZINC000083551427 625644927 /nfs/dbraw/zinc/64/49/27/625644927.db2.gz FFIBGEQLSDXEPS-UHFFFAOYSA-N 1 0 253.754 3.397 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@](C)(CO)C2CCCCC2)cc1 ZINC000152768404 623709965 /nfs/dbraw/zinc/70/99/65/623709965.db2.gz GNBYYXIPJRNCDQ-GOSISDBHSA-N 1 0 290.451 3.174 20 10 CGCDRO O=[N+]([O-])c1cc(C[NH2+]CC2CC2)ccc1N1CCCCC1 ZINC000915227024 623922645 /nfs/dbraw/zinc/92/26/45/623922645.db2.gz MLGVAKYNBHWMPM-UHFFFAOYSA-N 1 0 289.379 3.085 20 10 CGCDRO C[N@H+](CCc1ccc(F)c(F)c1)Cc1ccccc1O ZINC000153881424 624120476 /nfs/dbraw/zinc/12/04/76/624120476.db2.gz HQTCKXIUZFKSKH-UHFFFAOYSA-N 1 0 277.314 3.345 20 10 CGCDRO Cc1cccc(C)c1OCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000917396676 624265776 /nfs/dbraw/zinc/26/57/76/624265776.db2.gz HWSMPVOCKQKRBX-UHFFFAOYSA-N 1 0 297.398 3.407 20 10 CGCDRO CC[C@H]([NH2+]CCSC)c1ccc(N(C)C)cc1 ZINC000154777456 624365801 /nfs/dbraw/zinc/36/58/01/624365801.db2.gz PIOFRJFEVWWYFF-AWEZNQCLSA-N 1 0 252.427 3.156 20 10 CGCDRO Cc1cnc(Cl)c(C[NH2+]Cc2ccc(N(C)C)cc2)c1 ZINC000921496459 624599667 /nfs/dbraw/zinc/59/96/67/624599667.db2.gz UXXNGNYTWNSHFV-UHFFFAOYSA-N 1 0 289.810 3.399 20 10 CGCDRO Fc1ccccc1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921478160 624601040 /nfs/dbraw/zinc/60/10/40/624601040.db2.gz BLKVOVQYQSPHFC-UHFFFAOYSA-N 1 0 271.335 3.441 20 10 CGCDRO CC(C)[NH2+]C1CCN(Cc2cc(Cl)ccc2O)CC1 ZINC000179834116 624688820 /nfs/dbraw/zinc/68/88/20/624688820.db2.gz DRWHJGMVDWRGLX-UHFFFAOYSA-N 1 0 282.815 3.008 20 10 CGCDRO C[N@H+](CCOCc1ccccc1)Cc1cc(F)ccc1O ZINC000180269487 624731396 /nfs/dbraw/zinc/73/13/96/624731396.db2.gz OUZHDJBCFMGIGK-UHFFFAOYSA-N 1 0 289.350 3.180 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2Cc3ccccc3C[C@H]2C)c1 ZINC000180433202 624746844 /nfs/dbraw/zinc/74/68/44/624746844.db2.gz XTMYNCQZEVJFSK-CYBMUJFWSA-N 1 0 283.371 3.348 20 10 CGCDRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000124573501 634428255 /nfs/dbraw/zinc/42/82/55/634428255.db2.gz GFZVNZNTYVLOJA-YGRLFVJLSA-N 1 0 279.355 3.497 20 10 CGCDRO [NH3+]CCCN(Cc1cc(F)ccc1O)c1cccc(F)c1 ZINC000183220318 625052418 /nfs/dbraw/zinc/05/24/18/625052418.db2.gz OJBOVTIPBCVIRM-UHFFFAOYSA-N 1 0 292.329 3.026 20 10 CGCDRO c1csc(CCC[NH2+]Cc2ccc3c(c2)CCCO3)n1 ZINC000921761749 625866191 /nfs/dbraw/zinc/86/61/91/625866191.db2.gz YLIDPFXWIXJJPV-UHFFFAOYSA-N 1 0 288.416 3.191 20 10 CGCDRO c1cc2c(cc1C[NH2+][C@@H]1CCC[C@H]3OCC[C@H]31)CCCO2 ZINC000921841606 625899084 /nfs/dbraw/zinc/89/90/84/625899084.db2.gz HIMWGUIOHJNDHD-LZLYRXPVSA-N 1 0 287.403 3.059 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1cncc(F)c1 ZINC000921981785 625951029 /nfs/dbraw/zinc/95/10/29/625951029.db2.gz XHKWEUBDXKAYIS-GFCCVEGCSA-N 1 0 286.350 3.397 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1cncc(F)c1 ZINC000921981787 625951594 /nfs/dbraw/zinc/95/15/94/625951594.db2.gz XHKWEUBDXKAYIS-LBPRGKRZSA-N 1 0 286.350 3.397 20 10 CGCDRO C[C@@]1([NH2+]Cc2ccc3c(c2)CCCO3)CCO[C@H]1C1CC1 ZINC000921988902 625954536 /nfs/dbraw/zinc/95/45/36/625954536.db2.gz ABNPEJTVZCBQFR-ZWKOTPCHSA-N 1 0 287.403 3.059 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2CCCC[C@H]2O)cc1 ZINC000085965242 625970769 /nfs/dbraw/zinc/97/07/69/625970769.db2.gz OLUXCOWUVYHWBY-FUHWJXTLSA-N 1 0 290.451 3.174 20 10 CGCDRO Cc1cccnc1CC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922158342 625974867 /nfs/dbraw/zinc/97/48/67/625974867.db2.gz KOCUAAFZZHIHAU-UHFFFAOYSA-N 1 0 282.387 3.047 20 10 CGCDRO CCO[C@H]1CCC[C@@H]([NH2+][C@H](C)c2ccccc2O)C1 ZINC000922329656 625998609 /nfs/dbraw/zinc/99/86/09/625998609.db2.gz PBOLQKYRYIWWDM-MCIONIFRSA-N 1 0 263.381 3.391 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCO[C@H]2C2CC2)c(Cl)c1 ZINC000922516899 626009966 /nfs/dbraw/zinc/00/99/66/626009966.db2.gz BCOQBQICDGECPI-HIFRSBDPSA-N 1 0 281.783 3.011 20 10 CGCDRO CCOc1ccc(C[NH2+]C[C@@H]2C[C@H]2C(F)(F)F)c(O)c1 ZINC000922731664 626040062 /nfs/dbraw/zinc/04/00/62/626040062.db2.gz GHPJSCVOVDIGBY-CMPLNLGQSA-N 1 0 289.297 3.079 20 10 CGCDRO C[C@H]1CCCCN1CC[NH2+]Cc1c(O)cccc1Cl ZINC000113322168 626093317 /nfs/dbraw/zinc/09/33/17/626093317.db2.gz FNBSOINCCAJSPY-LBPRGKRZSA-N 1 0 282.815 3.010 20 10 CGCDRO C[C@@H]([NH2+]CC1(O)CCC(C)CC1)c1ccc(N(C)C)cc1 ZINC000087044035 626165166 /nfs/dbraw/zinc/16/51/66/626165166.db2.gz OHOZRGOKETVISE-SWKXRBFHSA-N 1 0 290.451 3.344 20 10 CGCDRO COCC1(CC[NH2+][C@@H](C)c2cc(C)ccc2O)CC1 ZINC000842890993 626267784 /nfs/dbraw/zinc/26/77/84/626267784.db2.gz PFCHLTSJQZWXJA-ZDUSSCGKSA-N 1 0 263.381 3.168 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1CCO[C@H]1CC)c1ccc(N(C)C)cc1 ZINC000840817291 626287719 /nfs/dbraw/zinc/28/77/19/626287719.db2.gz DPFIKDOACDBXBV-ZACQAIPSSA-N 1 0 276.424 3.361 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH+]1CC2(C1)CCCC2 ZINC000839105629 626315139 /nfs/dbraw/zinc/31/51/39/626315139.db2.gz UJHPFKSHSJHRRM-UHFFFAOYSA-N 1 0 251.757 3.422 20 10 CGCDRO CCN(CC)c1ccc(C[NH+]2CC(C(F)F)C2)cc1 ZINC000839138377 626322399 /nfs/dbraw/zinc/32/23/99/626322399.db2.gz PLOFILLUNVVHGP-UHFFFAOYSA-N 1 0 268.351 3.230 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)nc1C ZINC000839164373 626323780 /nfs/dbraw/zinc/32/37/80/626323780.db2.gz QQHYTCYAOHRVMI-UHFFFAOYSA-N 1 0 287.382 3.193 20 10 CGCDRO COC1CCC([NH2+]Cc2cc(C)c(C)cc2O)CC1 ZINC000839171445 626325271 /nfs/dbraw/zinc/32/52/71/626325271.db2.gz FXZCGWIQAFBNID-UHFFFAOYSA-N 1 0 263.381 3.056 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)c1O ZINC000839191980 626328513 /nfs/dbraw/zinc/32/85/13/626328513.db2.gz RGGVMYXMDYMQIG-ICCXJUOJSA-N 1 0 281.783 3.332 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H](C)CC2)c1O ZINC000754719705 626584571 /nfs/dbraw/zinc/58/45/71/626584571.db2.gz HHPOWDJNTVABRS-GFCCVEGCSA-N 1 0 263.381 3.331 20 10 CGCDRO C[C@H](C[NH2+][C@@H](C)c1cc(F)ccc1O)N1CCCC[C@H]1C ZINC000756409922 626702844 /nfs/dbraw/zinc/70/28/44/626702844.db2.gz CGAUWNWYLNORNE-MCIONIFRSA-N 1 0 294.414 3.445 20 10 CGCDRO C[C@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])C[NH+]1CCCC1 ZINC000756421876 626704377 /nfs/dbraw/zinc/70/43/77/626704377.db2.gz JCKFUFQTLAIYRG-NEPJUHHUSA-N 1 0 298.377 3.053 20 10 CGCDRO CC(C)C[C@H](O)C[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756495934 626709988 /nfs/dbraw/zinc/70/99/88/626709988.db2.gz DDQBXBFXKDEZOP-NTZNESFSSA-N 1 0 281.371 3.076 20 10 CGCDRO CCC(O)(CC)C[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756498581 626710065 /nfs/dbraw/zinc/71/00/65/626710065.db2.gz XWHOIBRSMFWZTN-CMPLNLGQSA-N 1 0 281.371 3.220 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc3c(c2)CCO3)c(O)c1 ZINC000756516199 626711166 /nfs/dbraw/zinc/71/11/66/626711166.db2.gz RHBBNUODCHWWAG-CYBMUJFWSA-N 1 0 283.371 3.486 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]CCc2nccs2)c2c1c(F)ccc2O ZINC000756511622 626711495 /nfs/dbraw/zinc/71/14/95/626711495.db2.gz XETKCYAAGSQQNR-MWLCHTKSSA-N 1 0 292.379 3.368 20 10 CGCDRO CCC[C@](C)(O)C[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000756575626 626717023 /nfs/dbraw/zinc/71/70/23/626717023.db2.gz IHKHQYFQWUGEFH-ACJLOTCBSA-N 1 0 291.435 3.473 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@](C)(O)C(C)C)c(O)c1C ZINC000756578597 626717717 /nfs/dbraw/zinc/71/77/17/626717717.db2.gz XBRDNFXNZVQYDP-CJNGLKHVSA-N 1 0 265.397 3.067 20 10 CGCDRO CCc1cc(C[NH2+][C@@H](C)c2cc(Cl)ccc2O)on1 ZINC000756611467 626720441 /nfs/dbraw/zinc/72/04/41/626720441.db2.gz WFEJLDIZBWCCKE-VIFPVBQESA-N 1 0 280.755 3.447 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(C)[C@@H](C)C2)c(O)c1C ZINC000756613710 626720533 /nfs/dbraw/zinc/72/05/33/626720533.db2.gz QICHMYRSJVMGRN-QEJZJMRPSA-N 1 0 276.424 3.142 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCCC(=O)OC(C)(C)C)c1 ZINC000756629225 626722127 /nfs/dbraw/zinc/72/21/27/626722127.db2.gz OSDHMJWGKPIFPC-ZDUSSCGKSA-N 1 0 293.407 3.473 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](C)c2ccncc2)c1 ZINC000756636984 626722589 /nfs/dbraw/zinc/72/25/89/626722589.db2.gz YKTXEHKUDOTOQC-CHWSQXEVSA-N 1 0 286.375 3.250 20 10 CGCDRO CCCN(CC)CC[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756638870 626723498 /nfs/dbraw/zinc/72/34/98/626723498.db2.gz WJHVWEOHSLNPTN-JSGCOSHPSA-N 1 0 294.414 3.401 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CCCO2)c2c1c(F)ccc2O ZINC000756644941 626724033 /nfs/dbraw/zinc/72/40/33/626724033.db2.gz GRYCUTZKZNJNLM-NSODJVPESA-N 1 0 279.355 3.238 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C[C@H]2CCOC2)c(O)c1C ZINC000756644696 626724051 /nfs/dbraw/zinc/72/40/51/626724051.db2.gz BIIJMNIVHJMKCX-AEGPPILISA-N 1 0 277.408 3.475 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)C[C@@H]2CCOC2)c1 ZINC000756645722 626724271 /nfs/dbraw/zinc/72/42/71/626724271.db2.gz JLNXVPCPWQTMBI-IHRRRGAJSA-N 1 0 263.381 3.166 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)cn2)c2c1c(F)ccc2O ZINC000756657217 626725471 /nfs/dbraw/zinc/72/54/71/626725471.db2.gz BONGYBTXDVJFTP-NOZJJQNGSA-N 1 0 290.313 3.404 20 10 CGCDRO Cc1ccsc1[C@@H](CO)[NH2+][C@H](C)c1ccc(C)cc1O ZINC000756735588 626728924 /nfs/dbraw/zinc/72/89/24/626728924.db2.gz FSPOVKCNUJYROQ-TZMCWYRMSA-N 1 0 291.416 3.455 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ncccc2F)c(O)c1 ZINC000756768110 626730374 /nfs/dbraw/zinc/73/03/74/626730374.db2.gz JPRDQGSSPUPEJB-NSHDSACASA-N 1 0 260.312 3.086 20 10 CGCDRO C[C@H](Nc1cnn(-c2cc[nH+]cc2)c1)c1ccc(F)cc1O ZINC000756868881 626738268 /nfs/dbraw/zinc/73/82/68/626738268.db2.gz YHVJTOJOVVZHRB-NSHDSACASA-N 1 0 298.321 3.285 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]CC(C)(C)[C@@H]2CCCCO2)c1 ZINC000758498244 626846304 /nfs/dbraw/zinc/84/63/04/626846304.db2.gz JCDVTNZWIVVDCC-INIZCTEOSA-N 1 0 277.408 3.386 20 10 CGCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C3CC3)C2)c1O ZINC000761203728 627024467 /nfs/dbraw/zinc/02/44/67/627024467.db2.gz MAAINHQGYLMRPT-LLVKDONJSA-N 1 0 281.783 3.286 20 10 CGCDRO COc1ccc(C[NH2+][C@H](C)C[C@H](O)c2ccco2)cc1C ZINC000763525276 627163478 /nfs/dbraw/zinc/16/34/78/627163478.db2.gz WDZIAAINGLESQM-HIFRSBDPSA-N 1 0 289.375 3.198 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CCOCC2CCC2)cc1 ZINC000764979314 627234974 /nfs/dbraw/zinc/23/49/74/627234974.db2.gz FEGVXFQUADYOQD-UHFFFAOYSA-N 1 0 290.451 3.439 20 10 CGCDRO Oc1ccc2ccncc2c1C[NH+]1CCC(C(F)F)CC1 ZINC000765151356 627241704 /nfs/dbraw/zinc/24/17/04/627241704.db2.gz UIIGHNNFZZCQCG-UHFFFAOYSA-N 1 0 292.329 3.418 20 10 CGCDRO Oc1ccccc1C[N@H+](CCn1ccnc1)C1CCCC1 ZINC000766242914 627306147 /nfs/dbraw/zinc/30/61/47/627306147.db2.gz MUHPUKAYDQCLKE-UHFFFAOYSA-N 1 0 285.391 3.034 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H](OC)C(C)C)cc1 ZINC000766366824 627323576 /nfs/dbraw/zinc/32/35/76/627323576.db2.gz PKPZDRYBPICCAO-RHSMWYFYSA-N 1 0 278.440 3.464 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)Cc1ccncc1)c1ccc(N(C)C)cc1 ZINC000766491542 627336822 /nfs/dbraw/zinc/33/68/22/627336822.db2.gz WTYXPIRHNBZNHM-LSDHHAIUSA-N 1 0 283.419 3.429 20 10 CGCDRO C[N@H+](Cc1cccc2nsnc21)Cc1ccccc1O ZINC000766885558 627366755 /nfs/dbraw/zinc/36/67/55/627366755.db2.gz UYKZMQZKKQOGHX-UHFFFAOYSA-N 1 0 285.372 3.029 20 10 CGCDRO COc1cc(C[N@@H+]2CC[C@@H](c3ccco3)C2)c(O)cc1C ZINC000768448664 627480360 /nfs/dbraw/zinc/48/03/60/627480360.db2.gz VDIYPXBJKUYZOT-CYBMUJFWSA-N 1 0 287.359 3.292 20 10 CGCDRO CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1cc(OC)c(C)cc1O ZINC000768466427 627481457 /nfs/dbraw/zinc/48/14/57/627481457.db2.gz QGUBITNGZUCIDG-RISCZKNCSA-N 1 0 263.381 3.330 20 10 CGCDRO CCOc1ccc(C[NH+]2CCC(CC)CC2)c(O)c1 ZINC000768931487 627509848 /nfs/dbraw/zinc/50/98/48/627509848.db2.gz LIOSHHOFAGFCHP-UHFFFAOYSA-N 1 0 263.381 3.413 20 10 CGCDRO Cc1ccc(O)c(C[N@H+](C)C[C@H]2OCCc3ccccc32)c1 ZINC000769025612 627517862 /nfs/dbraw/zinc/51/78/62/627517862.db2.gz XOEDOJCGLLSNID-LJQANCHMSA-N 1 0 297.398 3.446 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@H](C)CC[C@@H]2C)c1 ZINC000769445161 627552772 /nfs/dbraw/zinc/55/27/72/627552772.db2.gz FRNHKWSXNXSIOF-OLZOCXBDSA-N 1 0 263.381 3.411 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CC(C)(C)OCC2(C)C)c1O ZINC000769445443 627552964 /nfs/dbraw/zinc/55/29/64/627552964.db2.gz IKEJHSSROWQMDC-UHFFFAOYSA-N 1 0 293.407 3.180 20 10 CGCDRO Cc1ccc(O)c(C[NH+]2CC(c3nc4ccccc4[nH]3)C2)c1 ZINC000769481980 627558749 /nfs/dbraw/zinc/55/87/49/627558749.db2.gz XFDXHWGIHFCLFW-UHFFFAOYSA-N 1 0 293.370 3.176 20 10 CGCDRO CSC[C@H]1CCC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000769517868 627562323 /nfs/dbraw/zinc/56/23/23/627562323.db2.gz YPOFPFFGTRYUTN-CYBMUJFWSA-N 1 0 282.428 3.219 20 10 CGCDRO CC(C)C([NH2+]Cc1ccc(N2CCOCC2)cc1)C(C)C ZINC000769928165 627590599 /nfs/dbraw/zinc/59/05/99/627590599.db2.gz MYRITZHBTZWGTQ-UHFFFAOYSA-N 1 0 290.451 3.293 20 10 CGCDRO Cc1cc(O)c(C[N@H+](C)CCc2cnccn2)cc1C(C)C ZINC000770662678 627634971 /nfs/dbraw/zinc/63/49/71/627634971.db2.gz WRQAGKWMISIDQL-UHFFFAOYSA-N 1 0 299.418 3.289 20 10 CGCDRO CSC[C@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841757912 635230811 /nfs/dbraw/zinc/23/08/11/635230811.db2.gz GILZDPRXVKVQES-DTWKUNHWSA-N 1 0 259.802 3.448 20 10 CGCDRO CC[C@@H]([NH2+]CC1(CCO)CCC1)c1ccc(N(C)C)cc1 ZINC000773071367 627850782 /nfs/dbraw/zinc/85/07/82/627850782.db2.gz UHVCYPIDWQXGNE-QGZVFWFLSA-N 1 0 290.451 3.346 20 10 CGCDRO Cc1ncc(CC[NH2+][C@@H](C)c2ccc(N(C)C)cc2)s1 ZINC000773080913 627852187 /nfs/dbraw/zinc/85/21/87/627852187.db2.gz IVFYXHBPQJQOJL-LBPRGKRZSA-N 1 0 289.448 3.411 20 10 CGCDRO CCc1cnccc1[C@@H](C)[NH2+]Cc1ccccc1O ZINC000773426881 627882776 /nfs/dbraw/zinc/88/27/76/627882776.db2.gz IKUOAQILNOPYBE-GFCCVEGCSA-N 1 0 256.349 3.200 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCS[C@@H](C)[C@@H]2C)cc1 ZINC000773750908 627910217 /nfs/dbraw/zinc/91/02/17/627910217.db2.gz FPYAWMNUXOSHGV-KBPBESRZSA-N 1 0 278.465 3.469 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@H](OC(F)F)C2)cc1 ZINC000773830187 627917559 /nfs/dbraw/zinc/91/75/59/627917559.db2.gz FBFYVMSOHAUQKE-HNNXBMFYSA-N 1 0 298.377 3.346 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCCN2C2CC2)c(O)c1 ZINC000774376922 627983235 /nfs/dbraw/zinc/98/32/35/627983235.db2.gz CJLDDDDIEIXPLD-HOCLYGCPSA-N 1 0 288.435 3.368 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCN2CCCC(C)(C)C2)c1 ZINC000774487827 627997713 /nfs/dbraw/zinc/99/77/13/627997713.db2.gz NHCNOMJLNZYUGH-HNNXBMFYSA-N 1 0 290.451 3.473 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](CC)CCO)c1cc(Cl)ccc1O ZINC000775509997 628098532 /nfs/dbraw/zinc/09/85/32/628098532.db2.gz UEZGGIYEPZRUJM-WCQYABFASA-N 1 0 271.788 3.247 20 10 CGCDRO CCOCC[NH2+][C@H](CC)c1cc(Cl)ccc1O ZINC000775489632 628099990 /nfs/dbraw/zinc/09/99/90/628099990.db2.gz WDEGFDBYYMQPAL-GFCCVEGCSA-N 1 0 257.761 3.123 20 10 CGCDRO CC[C@H](C)[C@@H](O)C[NH2+][C@@H](CC)c1cc(Cl)ccc1O ZINC000775503421 628101931 /nfs/dbraw/zinc/10/19/31/628101931.db2.gz IEYJXUDFPQXONC-XEGUGMAKSA-N 1 0 285.815 3.493 20 10 CGCDRO CC[C@H]([NH2+]C[C@H](O)c1ccc(C)o1)c1ccccc1O ZINC000775509631 628102790 /nfs/dbraw/zinc/10/27/90/628102790.db2.gz NWZCWCODCSKEAH-ZFWWWQNUSA-N 1 0 275.348 3.068 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)C[C@@H]1CCOC1)c1ccccc1O ZINC000775514454 628103152 /nfs/dbraw/zinc/10/31/52/628103152.db2.gz WLZRVUVJPHPHPV-IPYPFGDCSA-N 1 0 263.381 3.248 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)Cn1cccn1)c1cc(Cl)ccc1O ZINC000775519123 628103220 /nfs/dbraw/zinc/10/32/20/628103220.db2.gz IRGNPPBKSSRSDK-FZMZJTMJSA-N 1 0 293.798 3.372 20 10 CGCDRO Cc1cc(Cl)cc(C[NH+]2C3CCC2CC3)c1O ZINC000775648500 628119232 /nfs/dbraw/zinc/11/92/32/628119232.db2.gz VNVCGEMEQPWRNO-UHFFFAOYSA-N 1 0 251.757 3.481 20 10 CGCDRO CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(Cl)c2[O-])C[C@H]1C ZINC000775715548 628128469 /nfs/dbraw/zinc/12/84/69/628128469.db2.gz GPKOUOJLSQHUGI-TZMCWYRMSA-N 1 0 296.842 3.350 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCC[C@@]3(CCCOC3)C2)c1O ZINC000775718240 628129553 /nfs/dbraw/zinc/12/95/53/628129553.db2.gz XZAAKZKDIFMXCJ-QGZVFWFLSA-N 1 0 275.392 3.093 20 10 CGCDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2cccc(C)c2O)C12CCC2 ZINC000775743380 628131880 /nfs/dbraw/zinc/13/18/80/628131880.db2.gz ZKJSMAFTQRYULK-JKSUJKDBSA-N 1 0 289.419 3.480 20 10 CGCDRO COc1ccc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)nc1 ZINC000775834029 628141140 /nfs/dbraw/zinc/14/11/40/628141140.db2.gz JCJZZXLPYKXEOQ-CYBMUJFWSA-N 1 0 285.391 3.007 20 10 CGCDRO Oc1cccc(Cl)c1C[N@@H+]1CCOCC2(CCCC2)C1 ZINC000776017834 628158240 /nfs/dbraw/zinc/15/82/40/628158240.db2.gz SVIDJJHKCWZCLS-UHFFFAOYSA-N 1 0 295.810 3.438 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H](C)Cc2cccc(O)c2)cc1C ZINC000776174584 628176039 /nfs/dbraw/zinc/17/60/39/628176039.db2.gz OJWPBHSERMGLNG-CQSZACIVSA-N 1 0 285.387 3.435 20 10 CGCDRO COc1cccc(O)c1C[NH2+]C1CC(c2ccccc2)C1 ZINC000776173651 628176203 /nfs/dbraw/zinc/17/62/03/628176203.db2.gz CHDPVJXBRPMUDT-UHFFFAOYSA-N 1 0 283.371 3.437 20 10 CGCDRO CCc1cnc(CC[NH2+]Cc2c(O)cccc2Cl)s1 ZINC000776223122 628182144 /nfs/dbraw/zinc/18/21/44/628182144.db2.gz QQTTVPNGPXATEP-UHFFFAOYSA-N 1 0 296.823 3.397 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+]C2(C3CC3)CC2)c1O ZINC000776232827 628183180 /nfs/dbraw/zinc/18/31/80/628183180.db2.gz SMDBUIJCXSZLLM-UHFFFAOYSA-N 1 0 251.757 3.386 20 10 CGCDRO CO[C@@H]1[C@@H](C)[C@H]([NH2+]Cc2cc(Cl)ccc2O)C1(C)C ZINC000776499725 628215255 /nfs/dbraw/zinc/21/52/55/628215255.db2.gz XTWTUODQZFGSAX-QCZZGDTMSA-N 1 0 283.799 3.195 20 10 CGCDRO COc1cccc(C[NH2+][C@@H]2CCO[C@H](CC(C)C)C2)c1O ZINC000776955191 628240820 /nfs/dbraw/zinc/24/08/20/628240820.db2.gz VAZRWQBYPSDLSK-HUUCEWRRSA-N 1 0 293.407 3.084 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(F)nc1)c1ccc(N(C)C)cc1 ZINC000778176187 628331799 /nfs/dbraw/zinc/33/17/99/628331799.db2.gz AVPOOPTWDPMKGC-LBPRGKRZSA-N 1 0 273.355 3.138 20 10 CGCDRO CC(C)[C@@H]1C[C@@H](C[NH2+]Cc2ccc3c(c2)CCO3)CCO1 ZINC000779063857 628385865 /nfs/dbraw/zinc/38/58/65/628385865.db2.gz AVGUBMXRNKNVNE-YJBOKZPZSA-N 1 0 289.419 3.162 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+][C@@H]1CSc2ccccc21 ZINC000779081595 628387932 /nfs/dbraw/zinc/38/79/32/628387932.db2.gz DBOQHJGHOZNPRX-CYBMUJFWSA-N 1 0 275.348 3.468 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H](C)C2(CCC2)C1 ZINC000779605763 628417676 /nfs/dbraw/zinc/41/76/76/628417676.db2.gz YQUQMYHQEQWXKB-CYBMUJFWSA-N 1 0 275.392 3.413 20 10 CGCDRO C[C@H]([NH2+]CCCSc1nccs1)[C@H]1CCCOC1 ZINC000780725844 628510987 /nfs/dbraw/zinc/51/09/87/628510987.db2.gz UFTWALZKTDOZGG-RYUDHWBXSA-N 1 0 286.466 3.030 20 10 CGCDRO C[C@H]1CC[C@@H]1[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000783220262 628689014 /nfs/dbraw/zinc/68/90/14/628689014.db2.gz BWBYUJMMIISXMJ-BBRMVZONSA-N 1 0 276.449 3.128 20 10 CGCDRO C[C@@H]([NH2+]Cc1nc2cc(F)ccc2n1C)c1ccccc1O ZINC000783524321 628721838 /nfs/dbraw/zinc/72/18/38/628721838.db2.gz ZNBNAUIOZHBKIN-LLVKDONJSA-N 1 0 299.349 3.269 20 10 CGCDRO C[C@@H]1COc2ccccc2C[N@@H+]1Cc1cc(F)ccc1O ZINC000783597163 628730529 /nfs/dbraw/zinc/73/05/29/628730529.db2.gz KAYMWJNAYBYBOD-GFCCVEGCSA-N 1 0 287.334 3.314 20 10 CGCDRO COc1cc(O)c(C[N@H+](C)C[C@H]2CC=CCC2)cc1OC ZINC000784011587 628765268 /nfs/dbraw/zinc/76/52/68/628765268.db2.gz BPJQKDQPMOVUHT-ZDUSSCGKSA-N 1 0 291.391 3.198 20 10 CGCDRO COc1ccc2c(c1)CC[C@@H]([NH2+]Cc1ccccc1O)C2 ZINC000784625998 628825792 /nfs/dbraw/zinc/82/57/92/628825792.db2.gz KZABPRVPFPMCLH-MRXNPFEDSA-N 1 0 283.371 3.048 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]C(C)(C)C2CCOCC2)c1 ZINC000785608506 628874129 /nfs/dbraw/zinc/87/41/29/628874129.db2.gz VXPOUJTWUMMKMG-UHFFFAOYSA-N 1 0 293.407 3.086 20 10 CGCDRO CCOC(CC[NH2+][C@H](C)c1ccc(C)c(C)c1O)OCC ZINC000786970715 628973358 /nfs/dbraw/zinc/97/33/58/628973358.db2.gz MYXMEFPVNLJVRI-CQSZACIVSA-N 1 0 295.423 3.449 20 10 CGCDRO CC(C)[N@@H+]1CCCC[C@H]1CN(C)Cc1ccccc1O ZINC000787729485 629026018 /nfs/dbraw/zinc/02/60/18/629026018.db2.gz ICOLPFUNZGJNAU-INIZCTEOSA-N 1 0 276.424 3.087 20 10 CGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H]2CCCC2(C)C)c1O ZINC000788465217 629055456 /nfs/dbraw/zinc/05/54/56/629055456.db2.gz RVQDDPRIHBCSSX-CQSZACIVSA-N 1 0 279.355 3.402 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](O)c2ccsc2)c(O)c1 ZINC000788601437 629068702 /nfs/dbraw/zinc/06/87/02/629068702.db2.gz JPMNHOZEUGWFFS-DOMZBBRYSA-N 1 0 291.416 3.455 20 10 CGCDRO C[C@@H](O)CCC[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000789328006 629124882 /nfs/dbraw/zinc/12/48/82/629124882.db2.gz XSQIXALENHIBAD-CQSZACIVSA-N 1 0 277.408 3.298 20 10 CGCDRO Cc1cc(C)c(O)c(C[NH+]2CCC3(CCOCC3)CC2)c1 ZINC000789529073 629142149 /nfs/dbraw/zinc/14/21/49/629142149.db2.gz JTKVTBBEFYOHHP-UHFFFAOYSA-N 1 0 289.419 3.402 20 10 CGCDRO CC(C)[C@H]1CC[N@@H+]1Cc1c(O)cccc1Br ZINC000862262348 629333466 /nfs/dbraw/zinc/33/34/66/629333466.db2.gz XNFJONIVPHMGLB-GFCCVEGCSA-N 1 0 284.197 3.385 20 10 CGCDRO COCC[N@H+](Cc1cccc(OC)c1O)[C@H]1CC[C@@H](C)C1 ZINC000792192824 629346700 /nfs/dbraw/zinc/34/67/00/629346700.db2.gz NZUNXUBAKHTSOM-HIFRSBDPSA-N 1 0 293.407 3.038 20 10 CGCDRO COCC[N@H+](Cc1cc(OC)ccc1O)[C@@H]1CC[C@@H](C)C1 ZINC000792192384 629346941 /nfs/dbraw/zinc/34/69/41/629346941.db2.gz JITBDRNZXVXHFD-UKRRQHHQSA-N 1 0 293.407 3.038 20 10 CGCDRO CO[C@@H]1CC[N@H+](Cc2cc(F)c(N(C)C)cc2F)[C@@H](C)C1 ZINC000862353849 629347482 /nfs/dbraw/zinc/34/74/82/629347482.db2.gz CAGIPUNHJGFAST-WCQYABFASA-N 1 0 298.377 3.030 20 10 CGCDRO CCCC[N@H+](Cc1nc(C)c[nH]1)Cc1ccccc1O ZINC000862355273 629348015 /nfs/dbraw/zinc/34/80/15/629348015.db2.gz HMVYZANCRKKVIW-UHFFFAOYSA-N 1 0 273.380 3.226 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CCSCC[C@@H]2C)c(O)c1 ZINC000792197007 629348537 /nfs/dbraw/zinc/34/85/37/629348537.db2.gz NZIAEUXYYIMTGA-LBPRGKRZSA-N 1 0 281.421 3.118 20 10 CGCDRO CCC[N@H+](CCC(C)(C)C(=O)OC)Cc1ccccc1O ZINC000792800677 629382850 /nfs/dbraw/zinc/38/28/50/629382850.db2.gz YUPCZCPEVKTAIW-UHFFFAOYSA-N 1 0 293.407 3.194 20 10 CGCDRO COC(=O)CC(C)(C)C[C@@H](C)[NH2+]Cc1cc(C)ccc1O ZINC000862478678 629384577 /nfs/dbraw/zinc/38/45/77/629384577.db2.gz MEDYPIXGQRJALG-CYBMUJFWSA-N 1 0 293.407 3.158 20 10 CGCDRO CCc1cccc(C[NH+]2CC(Cc3ccco3)C2)c1O ZINC000862486468 629387509 /nfs/dbraw/zinc/38/75/09/629387509.db2.gz FKKVJYWFAIXVDK-UHFFFAOYSA-N 1 0 271.360 3.222 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCc3c(O)cccc3C2)c1O ZINC000862529323 629391575 /nfs/dbraw/zinc/39/15/75/629391575.db2.gz KVQDXIJXZCBNOU-UHFFFAOYSA-N 1 0 283.371 3.219 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](c3ccc(O)cc3)C2)c1 ZINC000862540851 629396087 /nfs/dbraw/zinc/39/60/87/629396087.db2.gz LBOBOJOCZSFMDZ-AWEZNQCLSA-N 1 0 299.370 3.096 20 10 CGCDRO CO[C@H]1CCC[C@@H]([NH2+]Cc2ccc(N(C)C)cc2C)C1 ZINC000792976948 629398763 /nfs/dbraw/zinc/39/87/63/629398763.db2.gz GWRRXBHPGKJHDP-WBVHZDCISA-N 1 0 276.424 3.108 20 10 CGCDRO Cc1ccc(O)c(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)c1 ZINC000793230950 629433556 /nfs/dbraw/zinc/43/35/56/629433556.db2.gz IVJYURNYUYKVGP-ZYHUDNBSSA-N 1 0 273.298 3.473 20 10 CGCDRO COc1ccc(O)c(C[N@H+](CC2CC2)CC2CCC2)c1 ZINC000793388817 629452703 /nfs/dbraw/zinc/45/27/03/629452703.db2.gz JBHSSBUJFSOSCS-UHFFFAOYSA-N 1 0 275.392 3.413 20 10 CGCDRO COc1ccc(C[NH2+][C@H](C)CSC(C)(C)C)c(O)c1 ZINC000793386284 629453258 /nfs/dbraw/zinc/45/32/58/629453258.db2.gz KFAKYCNPZBUUGS-LLVKDONJSA-N 1 0 283.437 3.411 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CS[C@H](C(C)(C)C)C2)c(O)c1 ZINC000793389653 629453818 /nfs/dbraw/zinc/45/38/18/629453818.db2.gz LKMLWKVNSFEBDI-WFASDCNBSA-N 1 0 295.448 3.411 20 10 CGCDRO CO[C@@]1(C)CCC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000794654204 629563720 /nfs/dbraw/zinc/56/37/20/629563720.db2.gz GQYXHPYCEWWGNJ-SFHVURJKSA-N 1 0 289.419 3.272 20 10 CGCDRO CCc1cc(C[NH2+][C@@H](CC)c2ccc(C)cc2O)on1 ZINC000794803065 629579202 /nfs/dbraw/zinc/57/92/02/629579202.db2.gz QLOCVYSFNMCFNA-HNNXBMFYSA-N 1 0 274.364 3.492 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc(F)cn1)c1ccc(C)cc1O ZINC000794808938 629580436 /nfs/dbraw/zinc/58/04/36/629580436.db2.gz CYIGXRQOMITSSX-OAHLLOKOSA-N 1 0 274.339 3.476 20 10 CGCDRO CCN(CC)[C@H](C)C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000794835031 629585378 /nfs/dbraw/zinc/58/53/78/629585378.db2.gz ZKVZQUMJZJGAET-BZPMIXESSA-N 1 0 294.414 3.400 20 10 CGCDRO C[C@H]([NH2+]Cc1ccccc1O)c1ccc2[nH]c(=O)oc2c1 ZINC000796742757 629824242 /nfs/dbraw/zinc/82/42/42/629824242.db2.gz IECPKSJRSDXNRA-JTQLQIEISA-N 1 0 284.315 3.090 20 10 CGCDRO CN(C)c1ccc(C[NH2+]Cc2ccc(O)c(F)c2)cc1F ZINC000120497088 630061994 /nfs/dbraw/zinc/06/19/94/630061994.db2.gz BDRMJVNQXMAKJU-UHFFFAOYSA-N 1 0 292.329 3.026 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]CC[C@H]2CCSC2)c1 ZINC000865654196 630255076 /nfs/dbraw/zinc/25/50/76/630255076.db2.gz GVUOLXIITLUFTF-LBPRGKRZSA-N 1 0 281.421 3.024 20 10 CGCDRO C[C@]12C[C@H]1CCC[C@@H]2[NH2+]Cc1ccc2c(c1)CCO2 ZINC000800477433 630283661 /nfs/dbraw/zinc/28/36/61/630283661.db2.gz ZXUMCVVZKYWPGP-PVAVHDDUSA-N 1 0 257.377 3.290 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](CCO)C2CC2)c1O ZINC000808707125 630296244 /nfs/dbraw/zinc/29/62/44/630296244.db2.gz DWDTXCDGJWESQC-IINYFYTJSA-N 1 0 283.799 3.166 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]CC[C@@H]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000801732357 630353382 /nfs/dbraw/zinc/35/33/82/630353382.db2.gz HRHKGPVAYLNNNA-QDMKHBRRSA-N 1 0 277.408 3.384 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H]2C2CCC2)c(O)c1 ZINC000802651702 630402617 /nfs/dbraw/zinc/40/26/17/630402617.db2.gz XXNQYMFXUSUQNM-LSDHHAIUSA-N 1 0 261.365 3.069 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](F)C2)cc1C(C)C ZINC000840105106 630595442 /nfs/dbraw/zinc/59/54/42/630595442.db2.gz OLKSNBKKGYTPFX-ZDUSSCGKSA-N 1 0 251.345 3.368 20 10 CGCDRO COCCCC[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808677381 630663335 /nfs/dbraw/zinc/66/33/35/630663335.db2.gz WULBGJBVLVGCNH-LLVKDONJSA-N 1 0 271.788 3.431 20 10 CGCDRO CC[C@@H](O)CC[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808703276 630666989 /nfs/dbraw/zinc/66/69/89/630666989.db2.gz VVGFZDCIDXHMRD-CMPLNLGQSA-N 1 0 271.788 3.166 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](C)Cn2cccn2)c1O ZINC000808704377 630667297 /nfs/dbraw/zinc/66/72/97/630667297.db2.gz CCHVDILYXNVUFS-NWDGAFQWSA-N 1 0 293.798 3.290 20 10 CGCDRO Cc1n[nH]cc1C[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808707524 630667653 /nfs/dbraw/zinc/66/76/53/630667653.db2.gz RHDMJTKSWKWFLZ-SNVBAGLBSA-N 1 0 279.771 3.236 20 10 CGCDRO C/C=C\C[C@H](CO)[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808714706 630669850 /nfs/dbraw/zinc/66/98/50/630669850.db2.gz OUJCZFRVRPZXSB-FTGSRHIXSA-N 1 0 283.799 3.332 20 10 CGCDRO CC(C)(C)O[C@H]1C[C@@H]([NH2+]Cc2c(O)cccc2Cl)C1 ZINC000842761442 635464079 /nfs/dbraw/zinc/46/40/79/635464079.db2.gz ZFTRUXRFOVQTNP-PHIMTYICSA-N 1 0 283.799 3.481 20 10 CGCDRO CCOc1cccc(C[N@H+](C)[C@H](CC)CSC)c1O ZINC000809766890 630802252 /nfs/dbraw/zinc/80/22/52/630802252.db2.gz BNGONFKJOROEOD-CYBMUJFWSA-N 1 0 283.437 3.364 20 10 CGCDRO CCC(CC)[N@H+](CC)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000809789125 630809819 /nfs/dbraw/zinc/80/98/19/630809819.db2.gz ZASCGZLALGGRGA-UHFFFAOYSA-N 1 0 296.367 3.320 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CCCc3occc3C2)c1 ZINC000809792287 630812016 /nfs/dbraw/zinc/81/20/16/630812016.db2.gz PUNXGRWAKHELFQ-UHFFFAOYSA-N 1 0 287.359 3.332 20 10 CGCDRO CC(C)N(C)C[C@H](C)[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000810244129 630858120 /nfs/dbraw/zinc/85/81/20/630858120.db2.gz AFQIQOPFFVJMHE-OBJOEFQTSA-N 1 0 294.414 3.398 20 10 CGCDRO Cc1cccc2c1OC[C@H]([NH2+][C@@H](C)c1ccccc1O)C2 ZINC000810259448 630861540 /nfs/dbraw/zinc/86/15/40/630861540.db2.gz JMIJJZZZZVYIFO-DZGCQCFKSA-N 1 0 283.371 3.355 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](O)C2(C)C)cc1F ZINC000812779624 631306623 /nfs/dbraw/zinc/30/66/23/631306623.db2.gz UEQCZSXJTNNLHU-INIZCTEOSA-N 1 0 294.414 3.017 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000876513378 634849653 /nfs/dbraw/zinc/84/96/53/634849653.db2.gz LKMTVIKXSLOHJB-HNNXBMFYSA-N 1 0 256.349 3.366 20 10 CGCDRO Cc1cccc(O)c1C[N@H+]1CCC[C@H]1c1cccn1C ZINC000876545945 634854226 /nfs/dbraw/zinc/85/42/26/634854226.db2.gz PTDFXKALXMALMM-INIZCTEOSA-N 1 0 270.376 3.376 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccc(O)c(F)c2)cc1 ZINC000813334484 631412910 /nfs/dbraw/zinc/41/29/10/631412910.db2.gz LPELJFPLXHTAMF-UHFFFAOYSA-N 1 0 288.366 3.229 20 10 CGCDRO CCOc1ccc(C[NH+]2CCC(C)(OCC)CC2)c(O)c1 ZINC000814169672 631537387 /nfs/dbraw/zinc/53/73/87/631537387.db2.gz LRUJUONXMHFWQO-UHFFFAOYSA-N 1 0 293.407 3.182 20 10 CGCDRO CSC[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000814179328 631539705 /nfs/dbraw/zinc/53/97/05/631539705.db2.gz RIAMWEYXJSVUDK-CQSZACIVSA-N 1 0 296.455 3.467 20 10 CGCDRO Cn1nccc1-c1ccccc1C[NH2+]Cc1ccccc1O ZINC000814292384 631568674 /nfs/dbraw/zinc/56/86/74/631568674.db2.gz VDOKTGGFKPPSEP-UHFFFAOYSA-N 1 0 293.370 3.083 20 10 CGCDRO Cc1cc(C[NH+]2CCC3(CCOC3)CC2)ccc1N(C)C ZINC000815079510 631712618 /nfs/dbraw/zinc/71/26/18/631712618.db2.gz RECXSJBWNULJME-UHFFFAOYSA-N 1 0 288.435 3.064 20 10 CGCDRO Cc1cc(C[N@H+]2CC[C@H](C)[C@H](F)C2)ccc1N(C)C ZINC000815087977 631713940 /nfs/dbraw/zinc/71/39/40/631713940.db2.gz WVIGLMHCIWBZAR-SWLSCSKDSA-N 1 0 264.388 3.241 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@]3(C2)CCCOC3)cc1 ZINC000815112841 631718681 /nfs/dbraw/zinc/71/86/81/631718681.db2.gz DYAIQUXZRUIJLF-GOSISDBHSA-N 1 0 288.435 3.145 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCN2CCC[C@@H](C)C2)c(O)c1 ZINC000815559732 631795679 /nfs/dbraw/zinc/79/56/79/631795679.db2.gz OVOBLDPJLXKKCV-CZUORRHYSA-N 1 0 290.451 3.392 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](O)CC(C)C)c(O)c1 ZINC000815571972 631796656 /nfs/dbraw/zinc/79/66/56/631796656.db2.gz RFNQWUWGVKKZJS-KBPBESRZSA-N 1 0 265.397 3.067 20 10 CGCDRO CO[C@@H]1C[C@H]([NH2+][C@@H](C)c2c(C)cc(C)cc2O)C1(C)C ZINC000815587169 631801404 /nfs/dbraw/zinc/80/14/04/631801404.db2.gz BPLRIHOBFYSFHP-AEGPPILISA-N 1 0 277.408 3.473 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C2CCC(C)(O)CC2)c(O)c1 ZINC000815586850 631801641 /nfs/dbraw/zinc/80/16/41/631801641.db2.gz TXJGBPGLGNUONM-TUBUQKNSSA-N 1 0 277.408 3.353 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)c1cc[nH]c(=O)c1)c1ccccc1O ZINC000815642732 631810798 /nfs/dbraw/zinc/81/07/98/631810798.db2.gz KIRVAEYNIYKPCD-RISCZKNCSA-N 1 0 272.348 3.295 20 10 CGCDRO C[C@H](F)CC[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000815646086 631811490 /nfs/dbraw/zinc/81/14/90/631811490.db2.gz ZRURQUSTSILXIK-QXEWZRGKSA-N 1 0 255.308 3.417 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2cc[nH]c(=O)c2)c(O)c1 ZINC000815642947 631811768 /nfs/dbraw/zinc/81/17/68/631811768.db2.gz PFYFPCYAIGIPED-NEPJUHHUSA-N 1 0 272.348 3.213 20 10 CGCDRO CO[C@H](C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)C1CC1 ZINC000815651414 631813312 /nfs/dbraw/zinc/81/33/12/631813312.db2.gz SFEZWSVQBXLHNM-LJWDBELGSA-N 1 0 279.355 3.094 20 10 CGCDRO C[N@@H+](Cc1ccc2ccccc2c1O)CC1CCOCC1 ZINC000816507509 631998326 /nfs/dbraw/zinc/99/83/26/631998326.db2.gz IWTQBBFTLLZPET-UHFFFAOYSA-N 1 0 285.387 3.404 20 10 CGCDRO CC(C)n1ccc(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])n1 ZINC000816552284 632009034 /nfs/dbraw/zinc/00/90/34/632009034.db2.gz HIMJJWXCKVLLMK-UHFFFAOYSA-N 1 0 297.761 3.252 20 10 CGCDRO COc1cccc(C[NH2+]C[C@@H]2CC23CCSCC3)c1O ZINC000817410028 632141502 /nfs/dbraw/zinc/14/15/02/632141502.db2.gz IDEKVKYJFUUNKX-ZDUSSCGKSA-N 1 0 293.432 3.024 20 10 CGCDRO CC[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(C)c2O)CCO1 ZINC000817415143 632145580 /nfs/dbraw/zinc/14/55/80/632145580.db2.gz PISCJGOPFVGLLW-KBPBESRZSA-N 1 0 283.799 3.401 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H](CCO)CC1 ZINC000817419818 632148064 /nfs/dbraw/zinc/14/80/64/632148064.db2.gz YMAWLSGOTOYLGL-MRXNPFEDSA-N 1 0 290.451 3.046 20 10 CGCDRO CC[C@@H]1C[C@@H]([NH2+][C@H](C)c2cc(C)ccc2O)CCO1 ZINC000817585555 632191544 /nfs/dbraw/zinc/19/15/44/632191544.db2.gz GOVWNBKOKKAQRY-HZSPNIEDSA-N 1 0 263.381 3.309 20 10 CGCDRO Oc1ccccc1[C@@H](CCc1ccccc1)N[C@@H]1CC[NH2+]C1 ZINC000817944624 632241715 /nfs/dbraw/zinc/24/17/15/632241715.db2.gz IKYUPIZZHKIBIL-SJLPKXTDSA-N 1 0 296.414 3.018 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)NC[C@@H]2CCCC[NH2+]2)c1O ZINC000817949805 632246677 /nfs/dbraw/zinc/24/66/77/632246677.db2.gz NFZXIYCRGYJVPK-YPMHNXCESA-N 1 0 282.815 3.147 20 10 CGCDRO CC[C@H]([NH2+]CCC[NH2+]C(C)C)c1cccc(Cl)c1[O-] ZINC000817953620 632248661 /nfs/dbraw/zinc/24/86/61/632248661.db2.gz PPOGVCBHQHQDQM-AWEZNQCLSA-N 1 0 284.831 3.474 20 10 CGCDRO CC[C@@H]([NH2+]CCc1ccc(N)cc1)c1ccc2c(c1)CCO2 ZINC000817955431 632250683 /nfs/dbraw/zinc/25/06/83/632250683.db2.gz APUPPDZYXOFELT-GOSISDBHSA-N 1 0 296.414 3.487 20 10 CGCDRO CC(=O)Nc1ccc([C@H](C)[NH2+]CCc2ccc(N)cc2)cc1 ZINC000817957395 632252576 /nfs/dbraw/zinc/25/25/76/632252576.db2.gz LWFWALCURVLSMA-ZDUSSCGKSA-N 1 0 297.402 3.121 20 10 CGCDRO CC[C@@H]([NH2+]CC(C)(C)[NH3+])c1cc(Cl)cc(Cl)c1[O-] ZINC000817960537 632256650 /nfs/dbraw/zinc/25/66/50/632256650.db2.gz NEJZCUKBKYACQP-LLVKDONJSA-N 1 0 291.222 3.477 20 10 CGCDRO C[C@H](NCC[NH2+]C1CCCCCC1)c1ccc(F)cc1O ZINC000817961110 632257631 /nfs/dbraw/zinc/25/76/31/632257631.db2.gz XHJRFOXMLGFECX-ZDUSSCGKSA-N 1 0 294.414 3.494 20 10 CGCDRO CC[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccc(F)cc1[O-] ZINC000817980639 632271177 /nfs/dbraw/zinc/27/11/77/632271177.db2.gz LZOJEGNJXGFBGO-HIFRSBDPSA-N 1 0 280.387 3.104 20 10 CGCDRO C[C@H](N[C@@H]1CCCC[NH2+]C1)c1cc2c(cc1O)CCCC2 ZINC000817983906 632273075 /nfs/dbraw/zinc/27/30/75/632273075.db2.gz LCJIODJEOKTCJO-XJKSGUPXSA-N 1 0 288.435 3.064 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+][C@@H](CN)C2CCCC2)c2c1c(F)ccc2O ZINC000817982699 632273287 /nfs/dbraw/zinc/27/32/87/632273287.db2.gz VNDBBNLPMXUIKA-SWHYSGLUSA-N 1 0 292.398 3.187 20 10 CGCDRO C[NH2+]CCc1ccccc1C(=O)N(C)c1ccc(C)c(C)c1 ZINC000818516299 632327234 /nfs/dbraw/zinc/32/72/34/632327234.db2.gz ZYYIDNHUHWZCBX-UHFFFAOYSA-N 1 0 296.414 3.342 20 10 CGCDRO CC[C@H](C[C@H](C)O)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000865872165 632931125 /nfs/dbraw/zinc/93/11/25/632931125.db2.gz SIZOTLFSGDLGGQ-DOTOQJQBSA-N 1 0 290.451 3.316 20 10 CGCDRO CS[C@@H]1CC[C@@H]1[NH2+]CCCSc1nccs1 ZINC000822464400 632935171 /nfs/dbraw/zinc/93/51/71/632935171.db2.gz PMYYRSBFHCNVGY-VHSXEESVSA-N 1 0 274.480 3.109 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]CC[C@H](O)C1CCCC1 ZINC000865875246 632936150 /nfs/dbraw/zinc/93/61/50/632936150.db2.gz MQRXFXJBIPIHPO-AWEZNQCLSA-N 1 0 283.799 3.076 20 10 CGCDRO CO[C@H](C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1)C1CC1 ZINC000822584018 632976672 /nfs/dbraw/zinc/97/66/72/632976672.db2.gz YXTBQCANAZTIGD-GOSISDBHSA-N 1 0 288.435 3.142 20 10 CGCDRO C[C@@H]([NH2+][C@H](C)c1cc(Cl)ccc1O)c1ccnn1C ZINC000866616126 633215306 /nfs/dbraw/zinc/21/53/06/633215306.db2.gz YRUOERBEPAIKNP-NXEZZACHSA-N 1 0 279.771 3.191 20 10 CGCDRO CC[C@H](C[C@H](C)O)[NH2+][C@@H](CC)c1ccc(C)cc1O ZINC000866633947 633222392 /nfs/dbraw/zinc/22/23/92/633222392.db2.gz NCPNEZUQNYQKID-GUTXKFCHSA-N 1 0 265.397 3.291 20 10 CGCDRO CC[C@H](C[C@H](C)O)[NH2+][C@H](CC)c1ccc(C)cc1O ZINC000866633948 633222579 /nfs/dbraw/zinc/22/25/79/633222579.db2.gz NCPNEZUQNYQKID-GZBFAFLISA-N 1 0 265.397 3.291 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CC[C@@H](O)C2CCCC2)c(O)c1 ZINC000866637536 633226699 /nfs/dbraw/zinc/22/66/99/633226699.db2.gz IFMSTRXSNPSDGB-XJKSGUPXSA-N 1 0 277.408 3.292 20 10 CGCDRO CC[N@H+](Cc1cnn(C)c1)Cc1cc(Cl)c(C)cc1O ZINC000824610430 633264526 /nfs/dbraw/zinc/26/45/26/633264526.db2.gz MNEBKLMDVXPELC-UHFFFAOYSA-N 1 0 293.798 3.110 20 10 CGCDRO C[N@H+](Cc1cc(Cl)ccc1O)[C@@H](CO)c1ccccc1 ZINC000824696235 633274614 /nfs/dbraw/zinc/27/46/14/633274614.db2.gz IYYMZEIAJVHOAV-HNNXBMFYSA-N 1 0 291.778 3.211 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000824715172 633277694 /nfs/dbraw/zinc/27/76/94/633277694.db2.gz IVVXRCYNAWYIEH-IIAWOOMASA-N 1 0 295.810 3.171 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H](C(C)C)[C@H](CO)C(C)C)c1 ZINC000824845167 633300486 /nfs/dbraw/zinc/30/04/86/633300486.db2.gz ILYFZMDDGQUOBE-NVXWUHKLSA-N 1 0 279.424 3.079 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCSC[C@@H]2C2CC2)cc1C ZINC000824914101 633305236 /nfs/dbraw/zinc/30/52/36/633305236.db2.gz LOCQAWCUBLISRP-OAHLLOKOSA-N 1 0 277.433 3.336 20 10 CGCDRO CC[C@H]([NH2+]Cc1cc(-c2ccccc2)ccc1O)[C@H](C)O ZINC000824922095 633306350 /nfs/dbraw/zinc/30/63/50/633306350.db2.gz WKXMNXCAEAJQDA-GUYCJALGSA-N 1 0 285.387 3.308 20 10 CGCDRO CCOc1cccc(C[N@@H+]2C[C@H](C3CC3)[C@H]2C2CC2)c1O ZINC000824941447 633308804 /nfs/dbraw/zinc/30/88/04/633308804.db2.gz NQUFTNHGAWBSJT-NVXWUHKLSA-N 1 0 287.403 3.411 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H]2CCO[C@@H](c3ccncc3)C2)c1O ZINC000824953418 633309964 /nfs/dbraw/zinc/30/99/64/633309964.db2.gz JNQZLXCEZDGSSD-IAGOWNOFSA-N 1 0 298.386 3.106 20 10 CGCDRO CC(C)[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)C1CC1 ZINC000876595348 634864402 /nfs/dbraw/zinc/86/44/02/634864402.db2.gz DSKCCXOSDXHOQM-UHFFFAOYSA-N 1 0 288.435 3.021 20 10 CGCDRO COc1cccc(O)c1C[NH2+]CCc1cc(C)ccc1F ZINC000824977738 633313525 /nfs/dbraw/zinc/31/35/25/633313525.db2.gz POQYQIKBNXHAKN-UHFFFAOYSA-N 1 0 289.350 3.181 20 10 CGCDRO Cc1ccc(F)c(CC[NH2+]Cc2ccccc2O)c1 ZINC000824976994 633314044 /nfs/dbraw/zinc/31/40/44/633314044.db2.gz HBOJIYYASCEGPO-UHFFFAOYSA-N 1 0 259.324 3.172 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCc2ccccc2O)cc1Cl ZINC000825185024 633334873 /nfs/dbraw/zinc/33/48/73/633334873.db2.gz GUAXRBWAJZVICJ-UHFFFAOYSA-N 1 0 291.778 3.392 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCC[C@@]3(CCSC3)C2)c1O ZINC000825215430 633336388 /nfs/dbraw/zinc/33/63/88/633336388.db2.gz OWHRTIQWKFZCBH-MRXNPFEDSA-N 1 0 277.433 3.420 20 10 CGCDRO CCO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000825290284 633342454 /nfs/dbraw/zinc/34/24/54/633342454.db2.gz SWNUWQSLXUTHRC-SGIREYDYSA-N 1 0 279.380 3.009 20 10 CGCDRO CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C)c1O ZINC000825299332 633343269 /nfs/dbraw/zinc/34/32/69/633343269.db2.gz HXDVQJGBVFMOCH-HUUCEWRRSA-N 1 0 263.381 3.138 20 10 CGCDRO COC[C@H]1CCC[N@H+](Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000825321942 633345618 /nfs/dbraw/zinc/34/56/18/633345618.db2.gz SACXAAXSEIGEQW-AWEZNQCLSA-N 1 0 294.414 3.140 20 10 CGCDRO OCCC[C@H]1CC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000825339078 633346777 /nfs/dbraw/zinc/34/67/77/633346777.db2.gz ZWVPPZPCHJRGLU-AWEZNQCLSA-N 1 0 285.387 3.140 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCCc3cn[nH]c32)cc1Cl ZINC000825365865 633349338 /nfs/dbraw/zinc/34/93/38/633349338.db2.gz NMQTVZMIGLSQEI-ZDUSSCGKSA-N 1 0 291.782 3.244 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CC(C)(C)CCCO)cc1Cl ZINC000825405100 633352954 /nfs/dbraw/zinc/35/29/54/633352954.db2.gz CVPAWQXTVJIVOC-UHFFFAOYSA-N 1 0 285.815 3.242 20 10 CGCDRO CCC[C@@H](C[NH2+]Cc1cc(Cl)c(C)cc1O)OC ZINC000826030044 633398757 /nfs/dbraw/zinc/39/87/57/633398757.db2.gz NLMRQNZSUTVZDC-LBPRGKRZSA-N 1 0 271.788 3.259 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cc(Cl)c(C)cc1O)[C@@H](O)C(C)C ZINC000826121233 633406430 /nfs/dbraw/zinc/40/64/30/633406430.db2.gz NXBILHISRXSGFA-HIFRSBDPSA-N 1 0 285.815 3.239 20 10 CGCDRO Oc1c(C[NH2+][C@H]2COC3(CCC3)C2)ccc2ccccc21 ZINC000827126206 633461672 /nfs/dbraw/zinc/46/16/72/633461672.db2.gz XPBFZKZBCPTWRG-OAHLLOKOSA-N 1 0 283.371 3.347 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+][C@H]1C[C@H](Oc2ccccc2)C1 ZINC000827188867 633469291 /nfs/dbraw/zinc/46/92/91/633469291.db2.gz CZDJQJNZCRLLHX-KOMQPUFPSA-N 1 0 287.334 3.231 20 10 CGCDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000827376792 633486745 /nfs/dbraw/zinc/48/67/45/633486745.db2.gz HVKJFTZVQFDJDA-CXAGYDPISA-N 1 0 293.382 3.312 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C2CCC3(CC3(F)F)CC2)c1 ZINC000827390054 633488373 /nfs/dbraw/zinc/48/83/73/633488373.db2.gz SPZHHELXPPKOQT-UHFFFAOYSA-N 1 0 297.345 3.458 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)cc1Cl ZINC000827481112 633492884 /nfs/dbraw/zinc/49/28/84/633492884.db2.gz KXMTVMLSTLYPKJ-GNXNZQSNSA-N 1 0 251.757 3.242 20 10 CGCDRO Oc1c(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)ccc2ccccc21 ZINC000827601734 633502331 /nfs/dbraw/zinc/50/23/31/633502331.db2.gz HSACGHRXAWOCFF-HOTGVXAUSA-N 1 0 283.371 3.014 20 10 CGCDRO C[C@@]1(CC[NH2+]Cc2cc(F)ccc2O)C[C@@]1(F)Cl ZINC000846038425 636134692 /nfs/dbraw/zinc/13/46/92/636134692.db2.gz PHRBRCUZZBDXEK-OLZOCXBDSA-N 1 0 275.726 3.326 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)c(C)c1)[C@H]1CCCOC1 ZINC000872046516 633969670 /nfs/dbraw/zinc/96/96/70/633969670.db2.gz XXJGLVRMRAVZGX-DLBZAZTESA-N 1 0 290.451 3.356 20 10 CGCDRO CCC[C@H](C)[C@H](CO)[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000846184127 636154508 /nfs/dbraw/zinc/15/45/08/636154508.db2.gz NCSMNZZPLKYQNB-XCCSTKFXSA-N 1 0 295.398 3.466 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@H](O)CC(C)(C)C2)cc1 ZINC000832152560 634032977 /nfs/dbraw/zinc/03/29/77/634032977.db2.gz KNPHTWHOBYELLZ-KRWDZBQOSA-N 1 0 290.451 3.126 20 10 CGCDRO CC1(C)[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)[C@@H]2CCCO[C@H]21 ZINC000834602134 634195608 /nfs/dbraw/zinc/19/56/08/634195608.db2.gz KMIJTJCWZODMSI-NSNWQYSKSA-N 1 0 287.403 3.173 20 10 CGCDRO C[C@H](C[C@@H](O)c1ccco1)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834625102 634201419 /nfs/dbraw/zinc/20/14/19/634201419.db2.gz SYNPPPIMBCUUGM-UXIGCNINSA-N 1 0 287.359 3.074 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@H](C)CC[S@@](C)=O)cc1C ZINC000873073767 634241855 /nfs/dbraw/zinc/24/18/55/634241855.db2.gz BTRUUVKBNGESNC-JLTOFOAXSA-N 1 0 297.464 3.031 20 10 CGCDRO C[C@H]([NH2+]CCCC1CCOCC1)c1cc(F)ccc1O ZINC000834817830 634246851 /nfs/dbraw/zinc/24/68/51/634246851.db2.gz BWTVNUQPFLOJMY-LBPRGKRZSA-N 1 0 281.371 3.389 20 10 CGCDRO CC[C@@H]([NH2+]CC[C@@H](C)CCO)c1cc(Cl)ccc1O ZINC000834832203 634251518 /nfs/dbraw/zinc/25/15/18/634251518.db2.gz MTMIENNOBGGKKO-BXUZGUMPSA-N 1 0 285.815 3.495 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CC[C@H](C)CCO)c1O ZINC000834832553 634251668 /nfs/dbraw/zinc/25/16/68/634251668.db2.gz QAYGXFMLZSGKFZ-CMPLNLGQSA-N 1 0 285.815 3.413 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@H](C)CCCCO)cc1C ZINC000873131809 634252706 /nfs/dbraw/zinc/25/27/06/634252706.db2.gz WESNMPMBZKDTND-OAHLLOKOSA-N 1 0 279.424 3.425 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CC2=CCOCC2)c(O)c1C ZINC000834859747 634257748 /nfs/dbraw/zinc/25/77/48/634257748.db2.gz IHIXKAHNZIBKLY-ZDUSSCGKSA-N 1 0 261.365 3.006 20 10 CGCDRO C[C@H](CC(C)(C)O)[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000834877038 634263190 /nfs/dbraw/zinc/26/31/90/634263190.db2.gz RURYDNLWQCLBLU-UMNHJUIQSA-N 1 0 281.371 3.219 20 10 CGCDRO CC[C@@](C)(C[NH2+][C@@H](C)c1ccc(C)c(C)c1O)OC ZINC000834881998 634264660 /nfs/dbraw/zinc/26/46/60/634264660.db2.gz HSPQQKKOVSDIBM-BBRMVZONSA-N 1 0 265.397 3.475 20 10 CGCDRO C[C@@H](Cc1cnn(C)c1)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000834895645 634271952 /nfs/dbraw/zinc/27/19/52/634271952.db2.gz CLNORQDDHRUORB-QWRGUYRKSA-N 1 0 293.798 3.061 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCC2(CO)CC2)c1O ZINC000834896619 634273162 /nfs/dbraw/zinc/27/31/62/634273162.db2.gz LXRNOOAWBSFUDD-NSHDSACASA-N 1 0 283.799 3.167 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]CC(C)(C)C(C)(C)O)c2c1c(F)ccc2O ZINC000834904822 634280990 /nfs/dbraw/zinc/28/09/90/634280990.db2.gz QVLIHCAGRQMYRA-PWSUYJOCSA-N 1 0 295.398 3.466 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCN2CCCC2(C)C)c1 ZINC000834909325 634284116 /nfs/dbraw/zinc/28/41/16/634284116.db2.gz KJHRIBRGEIEXCS-CQSZACIVSA-N 1 0 276.424 3.226 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CC[C@H](C)O2)c(O)c1C ZINC000834915569 634286137 /nfs/dbraw/zinc/28/61/37/634286137.db2.gz QVEQOSIGBOAQFT-FPMFFAJLSA-N 1 0 263.381 3.227 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CC[C@@H](C)O2)c(O)c1 ZINC000834915938 634286433 /nfs/dbraw/zinc/28/64/33/634286433.db2.gz UWOBCXRWHJQXIU-RDBSUJKOSA-N 1 0 263.381 3.227 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H]1CC[C@H](C)O1)c1ccc(C)cc1O ZINC000834916093 634287201 /nfs/dbraw/zinc/28/72/01/634287201.db2.gz ZRHBPFADMNVUEM-YDHLFZDLSA-N 1 0 263.381 3.309 20 10 CGCDRO C[C@@H](C1CC1)[N@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835025787 634324395 /nfs/dbraw/zinc/32/43/95/634324395.db2.gz NJHFBHGMMJCJPI-GXMNPTEKSA-N 1 0 258.409 3.496 20 10 CGCDRO CN(C)c1ccc(/C=C\C[N@H+](C)[C@H]2CCSC2)cc1 ZINC000835026362 634326068 /nfs/dbraw/zinc/32/60/68/634326068.db2.gz VQBNLNZIFRISRL-AWFCHZOYSA-N 1 0 276.449 3.203 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+]Cc2ccoc2)cc1 ZINC000835035217 634326979 /nfs/dbraw/zinc/32/69/79/634326979.db2.gz IFWHNHIMICQMPW-ONEGZZNKSA-N 1 0 256.349 3.149 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+]Cc2ccco2)cc1 ZINC000835034456 634327609 /nfs/dbraw/zinc/32/76/09/634327609.db2.gz WINHFKZMNHHQKB-HWKANZROSA-N 1 0 256.349 3.149 20 10 CGCDRO Cc1cnc(C[NH2+]C/C=C\c2ccc(N(C)C)cc2)s1 ZINC000835039452 634329861 /nfs/dbraw/zinc/32/98/61/634329861.db2.gz HKPGLWBNVKPPMK-PLNGDYQASA-N 1 0 287.432 3.321 20 10 CGCDRO CO[C@@H]1CCC[C@@H]1C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835042699 634330653 /nfs/dbraw/zinc/33/06/53/634330653.db2.gz KXBMPYXESJMFOZ-WXFDERKXSA-N 1 0 288.435 3.171 20 10 CGCDRO CCC(O)(CC)CC[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835050618 634335941 /nfs/dbraw/zinc/33/59/41/634335941.db2.gz QIVKOBIDKJKYJZ-BQYQJAHWSA-N 1 0 290.451 3.297 20 10 CGCDRO C[C@@H]([NH2+]C/C=C\c1ccc(N(C)C)cc1)c1cc[nH]c(=O)c1 ZINC000835051841 634337041 /nfs/dbraw/zinc/33/70/41/634337041.db2.gz AAVBMAUAAOAFRU-ZRUQZJFASA-N 1 0 297.402 3.217 20 10 CGCDRO CSC1(C[NH2+]C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000835051027 634337429 /nfs/dbraw/zinc/33/74/29/634337429.db2.gz AESYKIZVJFRSGK-PLNGDYQASA-N 1 0 276.449 3.251 20 10 CGCDRO CCc1nc(C)c(C[NH2+]C/C=C\c2ccc(N(C)C)cc2)o1 ZINC000835055944 634339157 /nfs/dbraw/zinc/33/91/57/634339157.db2.gz QGWGDCUNRYNJEN-SREVYHEPSA-N 1 0 299.418 3.414 20 10 CGCDRO CC1(C)C[C@@H](C[NH2+]Cc2cc(Cl)ccc2O)CCO1 ZINC000835059535 634340249 /nfs/dbraw/zinc/34/02/49/634340249.db2.gz IRHAISVNCRZWRU-NSHDSACASA-N 1 0 283.799 3.340 20 10 CGCDRO CCOc1ccc(C[NH2+]CCOCC2CCCC2)c(O)c1 ZINC000835058806 634340291 /nfs/dbraw/zinc/34/02/91/634340291.db2.gz JKIGSYKSHWGIOA-UHFFFAOYSA-N 1 0 293.407 3.087 20 10 CGCDRO Cc1ncc(C[N@@H+](C)Cc2ccc(C)cc2O)s1 ZINC000876622170 634869779 /nfs/dbraw/zinc/86/97/79/634869779.db2.gz CIWUBZCHZJILAB-UHFFFAOYSA-N 1 0 262.378 3.098 20 10 CGCDRO Cc1ccc(C[NH+]2CCC(c3ccccn3)CC2)c(O)c1 ZINC000876636506 634872082 /nfs/dbraw/zinc/87/20/82/634872082.db2.gz IPSHIQOVHKKRMT-UHFFFAOYSA-N 1 0 282.387 3.475 20 10 CGCDRO CCC[N@H+](CCC[C@@H]1CCO1)Cc1ccccc1O ZINC000876654672 634875617 /nfs/dbraw/zinc/87/56/17/634875617.db2.gz LSYBGOQPZHOMFU-OAHLLOKOSA-N 1 0 263.381 3.173 20 10 CGCDRO C[C@@H]1CC[C@H](C)[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876807403 634903456 /nfs/dbraw/zinc/90/34/56/634903456.db2.gz CROCNFOETFMPQH-GASCZTMLSA-N 1 0 288.435 3.021 20 10 CGCDRO Cc1ccc(C[NH2+]CCCn2cnc3ccccc32)c(O)c1 ZINC000876899038 634924453 /nfs/dbraw/zinc/92/44/53/634924453.db2.gz SDYXVANDKIVAKB-UHFFFAOYSA-N 1 0 295.386 3.230 20 10 CGCDRO COc1cccc(CC[NH2+]Cc2ccc(C)cc2O)c1 ZINC000876937588 634932061 /nfs/dbraw/zinc/93/20/61/634932061.db2.gz ZCPYWJDWEAYPJM-UHFFFAOYSA-N 1 0 271.360 3.042 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H](Cn2ccnc2)C(C)(C)C)c(O)c1 ZINC000876957416 634937980 /nfs/dbraw/zinc/93/79/80/634937980.db2.gz VVVXIGMLPWXTEF-INIZCTEOSA-N 1 0 287.407 3.102 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)[C@H]1CC1(F)F ZINC000876986656 634943308 /nfs/dbraw/zinc/94/33/08/634943308.db2.gz IAXOIUBIPRGWRW-BXUZGUMPSA-N 1 0 280.362 3.202 20 10 CGCDRO Cc1ccc(C[NH2+][C@H](C)Cc2ccc(O)cc2)c(O)c1 ZINC000877020176 634952380 /nfs/dbraw/zinc/95/23/80/634952380.db2.gz YRBLGLIWVLZBDF-CYBMUJFWSA-N 1 0 271.360 3.127 20 10 CGCDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000877089520 634981062 /nfs/dbraw/zinc/98/10/62/634981062.db2.gz NOCYTVOFJOYOGK-LLVKDONJSA-N 1 0 255.308 3.368 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2nc(C3CC3)cs2)c(O)c1 ZINC000877110202 634986136 /nfs/dbraw/zinc/98/61/36/634986136.db2.gz MSINHZHOUYNZGE-UHFFFAOYSA-N 1 0 274.389 3.324 20 10 CGCDRO COc1ccc(C[NH2+]C[C@@]2(C)CCCS2)cc1C ZINC000126484802 635032272 /nfs/dbraw/zinc/03/22/72/635032272.db2.gz MJYTYSMTILICPD-OAHLLOKOSA-N 1 0 265.422 3.379 20 10 CGCDRO Cc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)c(O)c1 ZINC000877487380 635055899 /nfs/dbraw/zinc/05/58/99/635055899.db2.gz UADAYGMYGADVRP-ZYHUDNBSSA-N 1 0 273.298 3.473 20 10 CGCDRO CCn1ccc(C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)n1 ZINC000840841534 635062381 /nfs/dbraw/zinc/06/23/81/635062381.db2.gz VOMJAPXMDCVXAN-ZDUSSCGKSA-N 1 0 273.380 3.076 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]CC(C)(C)C(F)(F)F ZINC000877502453 635063533 /nfs/dbraw/zinc/06/35/33/635063533.db2.gz JURAQPZZKCTQFN-UHFFFAOYSA-N 1 0 261.287 3.379 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)C1(OC)CCC1)c1ccccc1O ZINC000840883902 635073119 /nfs/dbraw/zinc/07/31/19/635073119.db2.gz HCZIXIDCHNWEEU-OCCSQVGLSA-N 1 0 263.381 3.391 20 10 CGCDRO Cc1cc(O)c(C[NH2+]Cc2ccccc2CO)c(Cl)c1 ZINC000840883598 635073264 /nfs/dbraw/zinc/07/32/64/635073264.db2.gz GKYKIBBWVCWQFK-UHFFFAOYSA-N 1 0 291.778 3.136 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)c1ccc(C)cc1O)[C@@H](O)C(C)C ZINC000840884089 635073636 /nfs/dbraw/zinc/07/36/36/635073636.db2.gz ZAVHJBBXHMLWIR-INWMFGNUSA-N 1 0 265.397 3.147 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCc2ccc(C)nc2)c(Cl)c1 ZINC000840897301 635078252 /nfs/dbraw/zinc/07/82/52/635078252.db2.gz QUHMNXYTCSAJEO-UHFFFAOYSA-N 1 0 290.794 3.390 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCC(F)(F)[C@H](C)C2)c(O)c1 ZINC000877538826 635078609 /nfs/dbraw/zinc/07/86/09/635078609.db2.gz HGGCCICQLKMVIX-LLVKDONJSA-N 1 0 255.308 3.178 20 10 CGCDRO CO[C@@H]1CCC[C@@H]1C[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840908054 635080245 /nfs/dbraw/zinc/08/02/45/635080245.db2.gz NXYQBDXBNJDUTG-IAQYHMDHSA-N 1 0 283.799 3.259 20 10 CGCDRO CSC[C@@H]1CCC[N@@H+]1Cc1ccc(N(C)C)cc1C ZINC000840916990 635082305 /nfs/dbraw/zinc/08/23/05/635082305.db2.gz MRLSCDWRBAHGGV-INIZCTEOSA-N 1 0 278.465 3.388 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2CCC[C@H]2C[C@H](C)O)c(Cl)c1 ZINC000840917750 635082531 /nfs/dbraw/zinc/08/25/31/635082531.db2.gz MEABOKBMVOQSMQ-RYUDHWBXSA-N 1 0 283.799 3.089 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCCOC(C)(C)C1 ZINC000840918298 635082880 /nfs/dbraw/zinc/08/28/80/635082880.db2.gz RSUULXUQWXURCT-UHFFFAOYSA-N 1 0 276.424 3.062 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000840919465 635083312 /nfs/dbraw/zinc/08/33/12/635083312.db2.gz GTMLNJBELJOWEI-AEFFLSMTSA-N 1 0 288.435 3.062 20 10 CGCDRO CO[C@@H](C[NH2+]Cc1ccc(N(C)C)cc1C)C(C)(C)C ZINC000840934965 635084512 /nfs/dbraw/zinc/08/45/12/635084512.db2.gz ABYNBKXVXADVEF-INIZCTEOSA-N 1 0 278.440 3.212 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CC1(C2CC2)CC1 ZINC000840937018 635086217 /nfs/dbraw/zinc/08/62/17/635086217.db2.gz REEKDXVOAHUPEP-UHFFFAOYSA-N 1 0 258.409 3.341 20 10 CGCDRO CCOC1(C[NH2+]Cc2ccc(C)cc2O)CCCC1 ZINC000877552910 635087212 /nfs/dbraw/zinc/08/72/12/635087212.db2.gz XYTYISWQKQVEAL-UHFFFAOYSA-N 1 0 263.381 3.140 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C12CCC(CC1)C2 ZINC000840939829 635087241 /nfs/dbraw/zinc/08/72/41/635087241.db2.gz ROWJOPGNOSGVCS-UHFFFAOYSA-N 1 0 258.409 3.483 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@]2(C)CCCO)c(Cl)c1 ZINC000840948733 635091202 /nfs/dbraw/zinc/09/12/02/635091202.db2.gz JTXQFHNIUUGVHH-INIZCTEOSA-N 1 0 297.826 3.481 20 10 CGCDRO CC[C@](C)(C[NH2+]Cc1c(O)cc(C)cc1Cl)OC ZINC000840951091 635091422 /nfs/dbraw/zinc/09/14/22/635091422.db2.gz SCELTVZOWSIANE-CQSZACIVSA-N 1 0 271.788 3.259 20 10 CGCDRO Cc1ccc(C[NH2+]C[C@H]2CCO[C@@H](C(C)C)C2)c(O)c1 ZINC000877566168 635093956 /nfs/dbraw/zinc/09/39/56/635093956.db2.gz VUFUSJVUYOHXCE-WMLDXEAASA-N 1 0 277.408 3.241 20 10 CGCDRO C[C@@H]([NH2+]Cc1cc(Cl)ccc1O)[C@H]1CC1(F)F ZINC000840967294 635095300 /nfs/dbraw/zinc/09/53/00/635095300.db2.gz DRUZABRDZLNONL-GMSGAONNSA-N 1 0 261.699 3.179 20 10 CGCDRO C[C@@H]1CC(C)(C)C[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000840969182 635095955 /nfs/dbraw/zinc/09/59/55/635095955.db2.gz CCQGLEBZDMHHFF-OAHLLOKOSA-N 1 0 288.435 3.144 20 10 CGCDRO CC[C@H]([NH2+]C/C=C/c1ccc(N(C)C)cc1)[C@H](O)C(C)C ZINC000840968038 635096129 /nfs/dbraw/zinc/09/61/29/635096129.db2.gz NDSKBNGEBUNTOT-KBSZCIAZSA-N 1 0 290.451 3.151 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](C3CCC3)C2)c1O ZINC000840979549 635099758 /nfs/dbraw/zinc/09/97/58/635099758.db2.gz XBVNFWGDSWJGSV-CQSZACIVSA-N 1 0 275.392 3.413 20 10 CGCDRO Cc1ccc(C[NH+]2CCC(OC3CCC3)CC2)c(O)c1 ZINC000877591946 635105146 /nfs/dbraw/zinc/10/51/46/635105146.db2.gz BVEPSEMFZKXUPA-UHFFFAOYSA-N 1 0 275.392 3.234 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@H](N)c2ccccc2)cc1 ZINC000841035412 635110948 /nfs/dbraw/zinc/11/09/48/635110948.db2.gz GXGUMGIXXULZDE-GHOSXJJBSA-N 1 0 295.430 3.055 20 10 CGCDRO CN(C)c1ccc(/C=C/CNCC2([NH3+])CCCCC2)cc1 ZINC000841040143 635112201 /nfs/dbraw/zinc/11/22/01/635112201.db2.gz JYLPXBAEFXSCFL-VOTSOKGWSA-N 1 0 287.451 3.017 20 10 CGCDRO CN(C)c1ccc([C@H](N)C[NH2+]CCC2CCCCC2)cc1 ZINC000841040863 635112444 /nfs/dbraw/zinc/11/24/44/635112444.db2.gz AQRLVAQAMUFYMD-GOSISDBHSA-N 1 0 289.467 3.312 20 10 CGCDRO CC[NH2+]Cc1cccc(NCc2cccc(F)c2O)c1 ZINC000841043404 635113279 /nfs/dbraw/zinc/11/32/79/635113279.db2.gz PZBVHEVRWVPICT-UHFFFAOYSA-N 1 0 274.339 3.253 20 10 CGCDRO Cc1ccc(C[NH2+][C@H](C2CC2)[C@@H]2CCCCO2)c(O)c1 ZINC000877616768 635114941 /nfs/dbraw/zinc/11/49/41/635114941.db2.gz HHIOESFNJZMKKT-DLBZAZTESA-N 1 0 275.392 3.138 20 10 CGCDRO Cc1cc(N(C)C)ccc1CNc1ccc(OCC[NH3+])cc1 ZINC000841054138 635115402 /nfs/dbraw/zinc/11/54/02/635115402.db2.gz GZSOGIYDDXJWMJ-UHFFFAOYSA-N 1 0 299.418 3.011 20 10 CGCDRO CSC1CC[NH+](Cc2ccc(N(C)C)cc2C)CC1 ZINC000877663328 635137790 /nfs/dbraw/zinc/13/77/90/635137790.db2.gz PGPRFLUVKVZFPP-UHFFFAOYSA-N 1 0 278.465 3.388 20 10 CGCDRO Cc1cccc(O)c1C[NH+]1CCC(CCF)CC1 ZINC000877675340 635142123 /nfs/dbraw/zinc/14/21/23/635142123.db2.gz XKPSEBNZGKLEKN-UHFFFAOYSA-N 1 0 251.345 3.272 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc3ccccc3c2O)[C@H](C)O1 ZINC000877683121 635144091 /nfs/dbraw/zinc/14/40/91/635144091.db2.gz SSZIINAAFJMNSC-BFQNTYOBSA-N 1 0 271.360 3.201 20 10 CGCDRO CCOc1ccc(C[N@@H+]2Cc3cccc(O)c3C2)cc1 ZINC000877703511 635155252 /nfs/dbraw/zinc/15/52/52/635155252.db2.gz MPOBBXBCDLIQKX-UHFFFAOYSA-N 1 0 269.344 3.307 20 10 CGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2Cc3cccc(O)c3C2)cc1 ZINC000877703285 635155901 /nfs/dbraw/zinc/15/59/01/635155901.db2.gz ZZJHRQQVMANSTK-PLNGDYQASA-N 1 0 294.398 3.487 20 10 CGCDRO CCOc1ccc(C[N@H+]2C[C@@H]3CC=CC[C@@H]3C2)c(O)c1 ZINC000877719110 635164081 /nfs/dbraw/zinc/16/40/81/635164081.db2.gz ILPHTPWLDKEFRZ-OKILXGFUSA-N 1 0 273.376 3.189 20 10 CGCDRO Cc1ccncc1CCC[NH2+][C@H](C)c1ccccc1O ZINC000877755522 635184163 /nfs/dbraw/zinc/18/41/63/635184163.db2.gz DEZIXBQODSQTRC-CQSZACIVSA-N 1 0 270.376 3.379 20 10 CGCDRO C[C@H]([NH2+]Cc1cnc(C(C)(C)C)nc1)c1ccccc1O ZINC000877757963 635187053 /nfs/dbraw/zinc/18/70/53/635187053.db2.gz AWWUHYNEQFTAMR-LBPRGKRZSA-N 1 0 285.391 3.331 20 10 CGCDRO CC[C@H](C[C@@H](C)O)[NH2+]Cc1ccc2ccccc2c1O ZINC000877778891 635200990 /nfs/dbraw/zinc/20/09/90/635200990.db2.gz WAOMDAXPGNOYHT-IUODEOHRSA-N 1 0 273.376 3.185 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000877811943 635214476 /nfs/dbraw/zinc/21/44/76/635214476.db2.gz CSFULWRWIMXERW-ZDUSSCGKSA-N 1 0 289.297 3.175 20 10 CGCDRO COc1cc(C[NH2+][C@@H](C)c2ccc(Cl)cc2O)ccn1 ZINC000841746153 635222409 /nfs/dbraw/zinc/22/24/09/635222409.db2.gz VRYNVOJVLNXQFC-JTQLQIEISA-N 1 0 292.766 3.300 20 10 CGCDRO CCN(CC)C[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841747131 635224094 /nfs/dbraw/zinc/22/40/94/635224094.db2.gz ODUUMQKBLMWJMG-RYUDHWBXSA-N 1 0 284.831 3.427 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCSC1)c1ccc(Cl)cc1O ZINC000841752209 635225683 /nfs/dbraw/zinc/22/56/83/635225683.db2.gz RNBJBODWQNLJHG-PSASIEDQSA-N 1 0 257.786 3.202 20 10 CGCDRO C[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1O)c1cnn(C)c1 ZINC000841754617 635229065 /nfs/dbraw/zinc/22/90/65/635229065.db2.gz LAWNJDWKIGLDLR-UWVGGRQHSA-N 1 0 279.771 3.191 20 10 CGCDRO C[C@H]([NH2+]Cc1ccn(C)c1)c1ccc(Cl)cc1O ZINC000841754250 635229075 /nfs/dbraw/zinc/22/90/75/635229075.db2.gz JLRGUPPWPBHWJU-JTQLQIEISA-N 1 0 264.756 3.235 20 10 CGCDRO Cc1nnc(CC[NH2+][C@H](C)c2ccc(Cl)cc2O)s1 ZINC000841756831 635229715 /nfs/dbraw/zinc/22/97/15/635229715.db2.gz KLPSWGWWZDJGAS-MRVPVSSYSA-N 1 0 297.811 3.099 20 10 CGCDRO CC[C@H](C)[C@@](C)(O)C[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841757679 635230893 /nfs/dbraw/zinc/23/08/93/635230893.db2.gz FEEDCXJCFWBJOM-RWSFTLGLSA-N 1 0 285.815 3.493 20 10 CGCDRO CC(C)(O)[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000877836225 635237000 /nfs/dbraw/zinc/23/70/00/635237000.db2.gz QEXTUDDXUMJWPE-OAHLLOKOSA-N 1 0 285.387 3.138 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cc(OC)c(OC)cc1O)[C@@H]1CC1(C)C ZINC000841890980 635247542 /nfs/dbraw/zinc/24/75/42/635247542.db2.gz LJYLFPWQBNQEDU-QWHCGFSZSA-N 1 0 293.407 3.324 20 10 CGCDRO CC[C@@H](C[N@H+](Cc1ccco1)Cc1ccccc1O)OC ZINC000842152861 635296541 /nfs/dbraw/zinc/29/65/41/635296541.db2.gz JCQYMHFZXUXYCD-HNNXBMFYSA-N 1 0 289.375 3.412 20 10 CGCDRO CCCCC[N@H+](CCO)Cc1c(O)cccc1Cl ZINC000126885458 635351183 /nfs/dbraw/zinc/35/11/83/635351183.db2.gz QIKPAKNQFRELPL-UHFFFAOYSA-N 1 0 271.788 3.030 20 10 CGCDRO C[C@@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)C[C@H](C)O1 ZINC000126883692 635351356 /nfs/dbraw/zinc/35/13/56/635351356.db2.gz KVGBIAJIBWJBEH-IYBDPMFKSA-N 1 0 288.435 3.286 20 10 CGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H]1CCO[C@H]1C ZINC000878150424 635380346 /nfs/dbraw/zinc/38/03/46/635380346.db2.gz DCHPKFQNWPQRKZ-KBPBESRZSA-N 1 0 263.381 3.029 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000842776437 635468657 /nfs/dbraw/zinc/46/86/57/635468657.db2.gz LBNAQGXVVKCKEE-YRGRVCCFSA-N 1 0 261.365 3.069 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1CCCC(C)(C)O1)c1ccccc1O ZINC000878354098 635472951 /nfs/dbraw/zinc/47/29/51/635472951.db2.gz BIPLPNWWLLUCQQ-QWHCGFSZSA-N 1 0 263.381 3.391 20 10 CGCDRO Cc1cc(Cl)cc(CN2CCCC[C@H]2[C@H](C)[NH3+])c1O ZINC000843046470 635550431 /nfs/dbraw/zinc/55/04/31/635550431.db2.gz WTJBBYZBYUKXLZ-FZMZJTMJSA-N 1 0 282.815 3.056 20 10 CGCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1ccc([N+](=O)[O-])cc1 ZINC000843057384 635553431 /nfs/dbraw/zinc/55/34/31/635553431.db2.gz JWGUVJHBIFOYOT-UHFFFAOYSA-N 1 0 297.358 3.006 20 10 CGCDRO Cc1cccc(C[N@H+]2C[C@@H](C)OC3(CCCC3)C2)c1O ZINC000843435674 635675793 /nfs/dbraw/zinc/67/57/93/635675793.db2.gz XCVJDLBNSNPABC-CQSZACIVSA-N 1 0 275.392 3.234 20 10 CGCDRO COC(=O)c1sccc1C[NH2+][C@@H](C)c1ccccc1O ZINC000879651334 635828556 /nfs/dbraw/zinc/82/85/56/635828556.db2.gz RLWUIVTXXKUIBA-JTQLQIEISA-N 1 0 291.372 3.091 20 10 CGCDRO C[C@H]1CCC[C@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000105505014 635871937 /nfs/dbraw/zinc/87/19/37/635871937.db2.gz ZEIHHNBVRWFVSX-JOYOIKCWSA-N 1 0 284.197 3.433 20 10 CGCDRO CC[C@H]1C[N@H+](Cc2c(O)cccc2Cl)CCS1 ZINC000128041618 635873098 /nfs/dbraw/zinc/87/30/98/635873098.db2.gz WMWTVEOGSOHOMK-JTQLQIEISA-N 1 0 271.813 3.373 20 10 CGCDRO CC[C@@H]1C[N@H+](Cc2cc(OC)c(C)cc2O)[C@@H](CC)CO1 ZINC000844722939 635957551 /nfs/dbraw/zinc/95/75/51/635957551.db2.gz JQWMSDQVIYINBI-LSDHHAIUSA-N 1 0 293.407 3.099 20 10 CGCDRO Oc1ccccc1C[NH2+]CC[C@@H]1CCc2ccccc2N1 ZINC000844905070 635980863 /nfs/dbraw/zinc/98/08/63/635980863.db2.gz UTGDXKQOJGECHL-INIZCTEOSA-N 1 0 282.387 3.299 20 10 CGCDRO C[C@H]([NH2+][C@H]1CNc2ccccc2C1)c1ccccc1O ZINC000844920361 635983908 /nfs/dbraw/zinc/98/39/08/635983908.db2.gz LPLVBVOZUDYPBQ-GXTWGEPZSA-N 1 0 268.360 3.080 20 10 CGCDRO CC[C@]1(C)CCC[C@H]1[NH2+]Cc1ccc(OC)cc1O ZINC000845966073 636125093 /nfs/dbraw/zinc/12/50/93/636125093.db2.gz FAIBFBXYFMWJHA-HZPDHXFCSA-N 1 0 263.381 3.459 20 10 CGCDRO CCC[C@H](C)[C@H](CO)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000846015021 636129908 /nfs/dbraw/zinc/12/99/08/636129908.db2.gz UGUXIYGEFDBWSM-UCSQHBGMSA-N 1 0 290.451 3.153 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@@](C)(O)c1ccccc1 ZINC000846038604 636135352 /nfs/dbraw/zinc/13/53/52/636135352.db2.gz NGIJJKVSZJXMTR-IFXJQAMLSA-N 1 0 297.398 3.007 20 10 CGCDRO CC(C)Cn1nccc1C[NH2+]Cc1cc(Cl)ccc1O ZINC000846055336 636139982 /nfs/dbraw/zinc/13/99/82/636139982.db2.gz LFXHQMTVMILHGC-UHFFFAOYSA-N 1 0 293.798 3.188 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)c1O ZINC000846106420 636144058 /nfs/dbraw/zinc/14/40/58/636144058.db2.gz BBLKQHFDQCRNNT-OAHLLOKOSA-N 1 0 297.345 3.412 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)c(O)c1 ZINC000846117091 636146761 /nfs/dbraw/zinc/14/67/61/636146761.db2.gz MVIMCNHOYIFAGN-CQSZACIVSA-N 1 0 283.318 3.022 20 10 CGCDRO COc1cccc(C[NH2+][C@H](C)c2cccc(OC)c2O)c1 ZINC000846137370 636148743 /nfs/dbraw/zinc/14/87/43/636148743.db2.gz OLRBKZAEXUNGCI-GFCCVEGCSA-N 1 0 287.359 3.260 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]CCCOCC(C)C)c1O ZINC000846138283 636148885 /nfs/dbraw/zinc/14/88/85/636148885.db2.gz ZXNJPLOGBTZSFP-ZDUSSCGKSA-N 1 0 281.396 3.114 20 10 CGCDRO CCCC[C@@H](COC)[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846148416 636149944 /nfs/dbraw/zinc/14/99/44/636149944.db2.gz YZAWULYLYLKTRL-STQMWFEESA-N 1 0 281.396 3.257 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2[C@@H](C)[C@@H](OC)C2(C)C)c1O ZINC000846159437 636150353 /nfs/dbraw/zinc/15/03/53/636150353.db2.gz OKMVEEPHALUCDJ-OXUXUCFPSA-N 1 0 293.407 3.111 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@H]2CCOC(C)(C)C2)c1O ZINC000846156739 636150607 /nfs/dbraw/zinc/15/06/07/636150607.db2.gz HHFVXQQZXSRPNG-RYUDHWBXSA-N 1 0 279.380 3.009 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc(C)c(C)n2)c1O ZINC000846167693 636151890 /nfs/dbraw/zinc/15/18/90/636151890.db2.gz BDIVMQBSTYUTEW-CYBMUJFWSA-N 1 0 286.375 3.263 20 10 CGCDRO COCC1CCC([NH2+][C@@H](C)c2cccc(OC)c2O)CC1 ZINC000846174893 636153782 /nfs/dbraw/zinc/15/37/82/636153782.db2.gz WNNXRSQBWKSZCC-HSBZDZAISA-N 1 0 293.407 3.257 20 10 CGCDRO CN(Cc1cccn1C)Cc1c(O)cccc1Cl ZINC000129340279 636219422 /nfs/dbraw/zinc/21/94/22/636219422.db2.gz LFSFWZRTIZEOOR-UHFFFAOYSA-N 1 0 264.756 3.016 20 10 CGCDRO COc1ccc(N(C)CC2CC[NH+](C)CC2)cc1Cl ZINC000846749704 636223552 /nfs/dbraw/zinc/22/35/52/636223552.db2.gz GCPTXAKVBORVFV-UHFFFAOYSA-N 1 0 282.815 3.127 20 10 CGCDRO CSc1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)o1 ZINC000882954655 636477652 /nfs/dbraw/zinc/47/76/52/636477652.db2.gz SXKZNBCXIMYEKZ-UHFFFAOYSA-N 1 0 275.373 3.226 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+][C@H](C1CC1)[C@H]1CCCCO1)CC2 ZINC000848558818 636605852 /nfs/dbraw/zinc/60/58/52/636605852.db2.gz NOXLKRMYXSJSOY-QGPMSJSTSA-N 1 0 287.403 3.317 20 10 CGCDRO C[C@H](Cc1ccccn1)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000848564351 636608603 /nfs/dbraw/zinc/60/86/03/636608603.db2.gz FMMLLHPMIPIBRD-HUUCEWRRSA-N 1 0 283.419 3.429 20 10 CGCDRO C[C@H]1C[C@@H]([NH2+]CCc2ccns2)c2c1c(F)ccc2O ZINC000883247204 636615973 /nfs/dbraw/zinc/61/59/73/636615973.db2.gz CCNOLWWKQDOJSD-JOYOIKCWSA-N 1 0 292.379 3.368 20 10 CGCDRO CC[C@H]([NH2+]C1(c2ncccn2)CCC1)c1ccccc1O ZINC000883311685 636661827 /nfs/dbraw/zinc/66/18/27/636661827.db2.gz IYRGPYRQKZXIAY-AWEZNQCLSA-N 1 0 283.375 3.302 20 10 CGCDRO CCc1cccc(C[N@@H+](Cc2ccccc2)C[C@@H](C)O)c1O ZINC000848882591 636671651 /nfs/dbraw/zinc/67/16/51/636671651.db2.gz VIUMDYAVSGPWTD-OAHLLOKOSA-N 1 0 299.414 3.338 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCC[C@]3(CCCOC3)C2)c1O ZINC000848887887 636677119 /nfs/dbraw/zinc/67/71/19/636677119.db2.gz HFNHQLQHKOUCNJ-SFHVURJKSA-N 1 0 289.419 3.347 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@H](C)c2c(C)noc2C)c1O ZINC000848899422 636680528 /nfs/dbraw/zinc/68/05/28/636680528.db2.gz NZLGHSKPMNTKPL-NSHDSACASA-N 1 0 288.391 3.453 20 10 CGCDRO CCCC[C@H](COC)[NH2+]Cc1cccc(CC)c1O ZINC000848897950 636680937 /nfs/dbraw/zinc/68/09/37/636680937.db2.gz XGNHEYCVEVANDW-OAHLLOKOSA-N 1 0 265.397 3.249 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCC[C@H](OC(F)F)C2)c1O ZINC000848903255 636682518 /nfs/dbraw/zinc/68/25/18/636682518.db2.gz ZYKWZDCZXSTCCG-ZDUSSCGKSA-N 1 0 285.334 3.158 20 10 CGCDRO CCc1cccc(C[NH2+]Cc2cc(F)ccc2OC)c1O ZINC000848903983 636683698 /nfs/dbraw/zinc/68/36/98/636683698.db2.gz HYIZJOTYJDYUDX-UHFFFAOYSA-N 1 0 289.350 3.392 20 10 CGCDRO CCc1cccc(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)c1O ZINC000848907641 636685019 /nfs/dbraw/zinc/68/50/19/636685019.db2.gz QQRYNLTZWKSMON-QGZVFWFLSA-N 1 0 298.386 3.003 20 10 CGCDRO CCCc1ncc(C[NH2+]Cc2cccc(CC)c2O)o1 ZINC000848914831 636688982 /nfs/dbraw/zinc/68/89/82/636688982.db2.gz OMFKDFBCBITZQL-UHFFFAOYSA-N 1 0 274.364 3.185 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H]2CCCC[C@H]2F)c1O ZINC000848917522 636690158 /nfs/dbraw/zinc/69/01/58/636690158.db2.gz UCCGJCGIRNRGJS-ZIAGYGMSSA-N 1 0 251.345 3.325 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H](C2CC2)[C@H]2CCCCO2)c1O ZINC000848922284 636692440 /nfs/dbraw/zinc/69/24/40/636692440.db2.gz PTHLSZXVQDKKDF-SJORKVTESA-N 1 0 289.419 3.392 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](CC)[C@H]2CCCOC2)c1 ZINC000883353250 636695174 /nfs/dbraw/zinc/69/51/74/636695174.db2.gz QWBBZLKDWMCSTG-BBRMVZONSA-N 1 0 293.407 3.086 20 10 CGCDRO COc1ccc(CNC(=[NH2+])Nc2ccc(C)c(C)c2)c(O)c1 ZINC000849095015 636744546 /nfs/dbraw/zinc/74/45/46/636744546.db2.gz KRJVIDNQGARONI-UHFFFAOYSA-N 1 0 299.374 3.154 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](COC)C(C)C)cc1 ZINC000086683388 636782654 /nfs/dbraw/zinc/78/26/54/636782654.db2.gz YNLREKXTADVIKT-KRWDZBQOSA-N 1 0 278.440 3.293 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCc3cc(N)ccc32)cc1F ZINC000849352057 636817892 /nfs/dbraw/zinc/81/78/92/636817892.db2.gz GLFOMDZKBUCHLT-KRWDZBQOSA-N 1 0 299.393 3.251 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCc2cc(N)ccc21 ZINC000849353113 636818164 /nfs/dbraw/zinc/81/81/64/636818164.db2.gz YZUGASWAFBTAAB-LJQANCHMSA-N 1 0 295.430 3.420 20 10 CGCDRO CC[C@@H](COC)[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850152099 636967701 /nfs/dbraw/zinc/96/77/01/636967701.db2.gz HRRDLWGSSKSMJL-ZDUSSCGKSA-N 1 0 295.423 3.213 20 10 CGCDRO CCOc1ccc(C[NH2+][C@@H](CC)COCC2CC2)c(O)c1 ZINC000850349377 637022917 /nfs/dbraw/zinc/02/29/17/637022917.db2.gz GCHNHTBZIWDHKO-HNNXBMFYSA-N 1 0 293.407 3.086 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)CC(C)C)C2)cc1 ZINC000850346699 637022995 /nfs/dbraw/zinc/02/29/95/637022995.db2.gz XENQKGKIAAQMAD-GJZGRUSLSA-N 1 0 276.424 3.298 20 10 CGCDRO COc1cccc(C[NH2+]CCC2(CSC)CC2)c1O ZINC000850356870 637025989 /nfs/dbraw/zinc/02/59/89/637025989.db2.gz ZQXRWOKUZKXIQK-UHFFFAOYSA-N 1 0 281.421 3.024 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1C[C@H]1C)c1ccc(Br)cc1O ZINC000134915366 637050505 /nfs/dbraw/zinc/05/05/05/637050505.db2.gz GZMRRGFGVLBUGR-KXUCPTDWSA-N 1 0 284.197 3.461 20 10 CGCDRO CC(C)C[C@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850405952 637050641 /nfs/dbraw/zinc/05/06/41/637050641.db2.gz LQPFCNQCIJXHJX-HNNXBMFYSA-N 1 0 290.451 3.172 20 10 CGCDRO FCC1(CF)CC([NH2+]CCCSc2nccs2)C1 ZINC000850435939 637061887 /nfs/dbraw/zinc/06/18/87/637061887.db2.gz GIBGTWKMBXSQLE-UHFFFAOYSA-N 1 0 292.420 3.303 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](C)c2ccccn2)c1 ZINC000850481700 637085921 /nfs/dbraw/zinc/08/59/21/637085921.db2.gz JBGOEARLRJPILD-OLZOCXBDSA-N 1 0 286.375 3.250 20 10 CGCDRO COC1CC(CC[NH2+][C@@H](C)c2c(C)cc(C)cc2O)C1 ZINC000850481268 637086152 /nfs/dbraw/zinc/08/61/52/637086152.db2.gz FRDDLXSOUZLBLC-NFOMZHRRSA-N 1 0 277.408 3.475 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1)C(C)C ZINC000850488418 637088082 /nfs/dbraw/zinc/08/80/82/637088082.db2.gz MQOXREBUEZPNNN-PBHICJAKSA-N 1 0 276.424 3.298 20 10 CGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@H]3CCC3(C)C)C2)cc1 ZINC000850489066 637088582 /nfs/dbraw/zinc/08/85/82/637088582.db2.gz PVWIJZREIRRDKE-CJNGLKHVSA-N 1 0 274.408 3.052 20 10 CGCDRO CC[C@@H](COCC1CC1)[NH2+][C@@H](C)c1ccccc1O ZINC000850495297 637091217 /nfs/dbraw/zinc/09/12/17/637091217.db2.gz ZNZZTIKZVMPDHP-JSGCOSHPSA-N 1 0 263.381 3.248 20 10 CGCDRO CC[C@H]([NH2+]CCO[C@H]1CC1(F)F)c1ccc(C)cc1O ZINC000850521417 637101268 /nfs/dbraw/zinc/10/12/68/637101268.db2.gz VGKDZJDSDVJJOV-JSGCOSHPSA-N 1 0 285.334 3.166 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCc2ccoc2)c(O)c1 ZINC000850532203 637109608 /nfs/dbraw/zinc/10/96/08/637109608.db2.gz RJIJUFAFGPNKID-ZDUSSCGKSA-N 1 0 259.349 3.495 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+][C@@H]1COc3cc(F)ccc3C1)CC2 ZINC000850536889 637112568 /nfs/dbraw/zinc/11/25/68/637112568.db2.gz KTRFJLWYDSUYBA-GJZGRUSLSA-N 1 0 299.345 3.112 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCc3ccc(O)cc32)c1O ZINC000850542841 637115026 /nfs/dbraw/zinc/11/50/26/637115026.db2.gz USBZUWRCPPOKHD-BZNIZROVSA-N 1 0 299.370 3.445 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](CO)CC2CC2)c(O)c1C ZINC000850545942 637116836 /nfs/dbraw/zinc/11/68/36/637116836.db2.gz VDMYUJLFEDJTPG-UKRRQHHQSA-N 1 0 277.408 3.068 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2C(C)(C)C2(F)F)c1 ZINC000850553531 637119290 /nfs/dbraw/zinc/11/92/90/637119290.db2.gz YHGRTYQVLIYPNN-NOZJJQNGSA-N 1 0 285.334 3.343 20 10 CGCDRO C[C@H]1C[C@@H]([NH2+]CC2CCC(O)CC2)c2c1c(F)ccc2O ZINC000850555124 637120696 /nfs/dbraw/zinc/12/06/96/637120696.db2.gz MEZSRTKWZJNVGU-DLOFLVKXSA-N 1 0 293.382 3.220 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]CC2SCCS2)c2c1c(F)ccc2O ZINC000850560611 637124099 /nfs/dbraw/zinc/12/40/99/637124099.db2.gz MINGHFSBSPSBHM-SCZZXKLOSA-N 1 0 299.436 3.475 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2CCOC2(C)C)c(O)c1 ZINC000850570190 637127788 /nfs/dbraw/zinc/12/77/88/637127788.db2.gz FMOHOCZCVOSAOG-UONOGXRCSA-N 1 0 277.408 3.475 20 10 CGCDRO c1cc(C[NH2+]C[C@H]2CCC3(CCC3)CO2)cc2c1OCC2 ZINC000886318055 637498151 /nfs/dbraw/zinc/49/81/51/637498151.db2.gz IIOSVADUECZEGF-MRXNPFEDSA-N 1 0 287.403 3.060 20 10 CGCDRO c1cnc2c(c1)CC[C@@H]2[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000886503020 637543816 /nfs/dbraw/zinc/54/38/16/637543816.db2.gz YDAQDLLJJSNJPJ-SFHVURJKSA-N 1 0 293.414 3.459 20 10 CGCDRO C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1c([O-])cccc1F ZINC000886601074 637598205 /nfs/dbraw/zinc/59/82/05/637598205.db2.gz JDFOILFZMDBQQG-LBPRGKRZSA-N 1 0 292.398 3.056 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1CC2(CCC2)CO1)c1cc(F)ccc1O ZINC000886701686 637664684 /nfs/dbraw/zinc/66/46/84/637664684.db2.gz UQENBGFCMZQJBW-DGCLKSJQSA-N 1 0 279.355 3.141 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C2CC3(C2)COC(C)(C)C3)cc1 ZINC000924575501 638365643 /nfs/dbraw/zinc/36/56/43/638365643.db2.gz WCVSJFRSEJLITM-UHFFFAOYSA-N 1 0 288.435 3.190 20 10 CGCDRO CC(C)CC[C@@H](CO)[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000858486261 638738045 /nfs/dbraw/zinc/73/80/45/638738045.db2.gz SQWIBXKDPXBQIP-AAEUAGOBSA-N 1 0 285.815 3.493 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccc[nH]c2=O)cc1 ZINC000858563125 638762456 /nfs/dbraw/zinc/76/24/56/638762456.db2.gz PNXFKUSENQNASD-ZDUSSCGKSA-N 1 0 285.391 3.094 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ccc[nH]c2=O)c1O ZINC000858563366 638762564 /nfs/dbraw/zinc/76/25/64/638762564.db2.gz PCGMBHQLRFJAMP-JTQLQIEISA-N 1 0 292.766 3.305 20 10 CGCDRO CC(C)[C@@H]([NH2+][C@H](C)c1cc(F)ccc1O)c1cnn(C)c1 ZINC000927068435 638837664 /nfs/dbraw/zinc/83/76/64/638837664.db2.gz JEBWRUVUPYLOPN-BDJLRTHQSA-N 1 0 291.370 3.313 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]Cc2cc(C3CC3)nn2C)c(O)c1 ZINC000927102988 638842565 /nfs/dbraw/zinc/84/25/65/638842565.db2.gz VXAKVNDJYTVUGV-LBPRGKRZSA-N 1 0 285.391 3.162 20 10 CGCDRO CCc1onc(C)c1C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000927133682 638846168 /nfs/dbraw/zinc/84/61/68/638846168.db2.gz CUCITWPVRGKRNT-VIFPVBQESA-N 1 0 278.327 3.241 20 10 CGCDRO C[C@H]([NH2+]C1([C@@H]2CCCCO2)CC1)c1ccccc1O ZINC000927158563 638848267 /nfs/dbraw/zinc/84/82/67/638848267.db2.gz BPCFSZBMZYQSRK-WFASDCNBSA-N 1 0 261.365 3.145 20 10 CGCDRO CCCCN(Cc1nncs1)Cc1ccccc1O ZINC000930350975 638992429 /nfs/dbraw/zinc/99/24/29/638992429.db2.gz LJABTTSLISCDSV-UHFFFAOYSA-N 1 0 277.393 3.046 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2csc(C)n2)c1 ZINC000041010359 639898372 /nfs/dbraw/zinc/89/83/72/639898372.db2.gz IYBQUSGTXRJEJQ-VIFPVBQESA-N 1 0 278.377 3.017 20 10 CGCDRO CCOc1cccc(C[NH2+]CCCCSC)c1O ZINC000076764843 640214015 /nfs/dbraw/zinc/21/40/15/640214015.db2.gz PJSJGOBERCMTHX-UHFFFAOYSA-N 1 0 269.410 3.024 20 10 CGCDRO CCOc1cccc(C[NH2+][C@H](CC)c2nccs2)c1O ZINC000078004263 640277592 /nfs/dbraw/zinc/27/75/92/640277592.db2.gz SORROTANJVLCKG-GFCCVEGCSA-N 1 0 292.404 3.488 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](CO)Cc2ccccc2C)c1 ZINC000191566875 640319362 /nfs/dbraw/zinc/31/93/62/640319362.db2.gz DZGNGOCGFFKIOO-NVXWUHKLSA-N 1 0 299.414 3.263 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]CCc2ccccc2C)c1 ZINC000078638518 640330002 /nfs/dbraw/zinc/33/00/02/640330002.db2.gz DAOLYOBNIQBXDQ-UHFFFAOYSA-N 1 0 255.361 3.341 20 10 CGCDRO C[C@@H]1c2cccn2CC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000194156519 640515993 /nfs/dbraw/zinc/51/59/93/640515993.db2.gz JBJJKTZBDHUHRZ-CQSZACIVSA-N 1 0 269.392 3.131 20 10 CGCDRO CCOCC[N@H+](C)Cc1ccc(N(CC)CC)cc1 ZINC000194565125 640539909 /nfs/dbraw/zinc/53/99/09/640539909.db2.gz KNLUMTNBDRLRGS-UHFFFAOYSA-N 1 0 264.413 3.001 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCCC[C@H]2SC)c1 ZINC000089726104 640655879 /nfs/dbraw/zinc/65/58/79/640655879.db2.gz BZJODGDZQYWUQK-UKRRQHHQSA-N 1 0 281.421 3.165 20 10 CGCDRO CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000090810565 640693961 /nfs/dbraw/zinc/69/39/61/640693961.db2.gz LJQFTCPYYZZXHW-YOEHRIQHSA-N 1 0 292.467 3.446 20 10 CGCDRO C[C@@H]([N@H+](C)Cc1ccc(N2CCOCC2)cc1)C1(C)CC1 ZINC000091900544 640725873 /nfs/dbraw/zinc/72/58/73/640725873.db2.gz QPVZLMHBSBNSKK-OAHLLOKOSA-N 1 0 288.435 3.144 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2C[C@H](C)[C@@H]3CCCC[C@@H]32)c1 ZINC000248376084 640754078 /nfs/dbraw/zinc/75/40/78/640754078.db2.gz ZDTOCLVRQXSXHO-RCBQFDQVSA-N 1 0 275.392 3.411 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)[C@H]2CCCC[C@@H]12 ZINC000248410053 640757458 /nfs/dbraw/zinc/75/74/58/640757458.db2.gz DAKBWXDPCQLIFZ-XBFCOCLRSA-N 1 0 289.375 3.131 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+](C)[C@H](C)Cc2ccc(O)cc2)c1 ZINC000093324854 640768403 /nfs/dbraw/zinc/76/84/03/640768403.db2.gz FBLHZIQXOJTGAP-CQSZACIVSA-N 1 0 285.387 3.469 20 10 CGCDRO COC(=O)C1([N@H+](C)Cc2cc(C)ccc2O)CCCCC1 ZINC000093359792 640769726 /nfs/dbraw/zinc/76/97/26/640769726.db2.gz PJEAVPSWCXGDSJ-UHFFFAOYSA-N 1 0 291.391 3.008 20 10 CGCDRO C[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC[C@@H]1C ZINC000093480864 640772825 /nfs/dbraw/zinc/77/28/25/640772825.db2.gz GMOOHUUEBIRNQQ-HOTGVXAUSA-N 1 0 288.435 3.001 20 10 CGCDRO C[C@H]([NH2+][C@H]1C[C@@H](O)C1(C)C)c1cc2c(cc1O)CCCC2 ZINC000250096549 640809746 /nfs/dbraw/zinc/80/97/46/640809746.db2.gz QTWHGTKEVSQZBX-MZPVMMEZSA-N 1 0 289.419 3.081 20 10 CGCDRO COc1cc(-c2nc3ccccc3[nH]2)cc(C[NH+](C)C)c1O ZINC001250766369 805773759 /nfs/dbraw/zinc/77/37/59/805773759.db2.gz AQBJUFZLHNVHHM-UHFFFAOYSA-N 1 0 297.358 3.006 20 10 CGCDRO O=C(c1ccc(F)cc1)c1ccccc1NC1=CCC[NH2+]C1 ZINC001159438534 806102384 /nfs/dbraw/zinc/10/23/84/806102384.db2.gz PLLBMSDYUFWZMA-UHFFFAOYSA-N 1 0 296.345 3.346 20 10 CGCDRO [NH3+]Cc1ccccc1Nc1ccc2c(c1)CCCN2 ZINC001159734925 806163087 /nfs/dbraw/zinc/16/30/87/806163087.db2.gz IOGQBQIEAIHHHQ-UHFFFAOYSA-N 1 0 253.349 3.247 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccc1O ZINC001254574190 806454269 /nfs/dbraw/zinc/45/42/69/806454269.db2.gz GQJTZTYBOZQGLO-BXUZGUMPSA-N 1 0 298.342 3.118 20 10 CGCDRO Cc1cc(C)c(C[NH2+][C@H]2CCOC(C)(C)C2)c(O)c1 ZINC001255532657 806665658 /nfs/dbraw/zinc/66/56/58/806665658.db2.gz FAUHIUJPNCVMSK-ZDUSSCGKSA-N 1 0 263.381 3.056 20 10 CGCDRO C[NH+](C)Cc1cccc(NCc2ccccc2O)c1 ZINC000036979679 798854436 /nfs/dbraw/zinc/85/44/36/798854436.db2.gz BTVMKCKXDKZVAM-UHFFFAOYSA-N 1 0 256.349 3.066 20 10 CGCDRO COC[C@@H](C)[NH2+]Cc1cc(C)n(-c2ccccc2)c1C ZINC000037329039 798866429 /nfs/dbraw/zinc/86/64/29/798866429.db2.gz IHAHFUKFQNUQKM-CYBMUJFWSA-N 1 0 272.392 3.219 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2C[C@H](C)OC[C@@H]2C)cc1C(C)C ZINC000045723094 798891153 /nfs/dbraw/zinc/89/11/53/798891153.db2.gz IOTYHAKAFMYRJL-KBPBESRZSA-N 1 0 277.408 3.433 20 10 CGCDRO Cc1cccnc1C[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000071339939 798916904 /nfs/dbraw/zinc/91/69/04/798916904.db2.gz OKUYELCMMZBVDA-UHFFFAOYSA-N 1 0 281.403 3.062 20 10 CGCDRO COc1ccc(C[N@@H+]2CCc3ccc(F)cc3C2)c(O)c1 ZINC000093383832 798963197 /nfs/dbraw/zinc/96/31/97/798963197.db2.gz AYIRJTWFWOWHLV-UHFFFAOYSA-N 1 0 287.334 3.098 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCc3sccc3C2)cc1 ZINC000128509527 799018481 /nfs/dbraw/zinc/01/84/81/799018481.db2.gz UXFWGADXVOKSRI-UHFFFAOYSA-N 1 0 272.417 3.372 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CC2(N(C)C)CCCC2)c(O)c1 ZINC000160716913 799076946 /nfs/dbraw/zinc/07/69/46/799076946.db2.gz QSFIJLUZOIBDHT-AWEZNQCLSA-N 1 0 276.424 3.226 20 10 CGCDRO CNc1ccccc1N[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001163218347 806725845 /nfs/dbraw/zinc/72/58/45/806725845.db2.gz FHCKZYFORWIULP-SJORKVTESA-N 1 0 267.376 3.243 20 10 CGCDRO CCC(CC)[C@H](C[NH2+][C@@H]1CCc2cccc(O)c21)N(C)C ZINC000315646304 799238638 /nfs/dbraw/zinc/23/86/38/799238638.db2.gz XODSGRWSEISQNZ-CVEARBPZSA-N 1 0 290.451 3.336 20 10 CGCDRO CCC[C@H](C[NH2+][C@H](CC)c1ccccc1O)OC ZINC000378666743 799342801 /nfs/dbraw/zinc/34/28/01/799342801.db2.gz AZBSCQXVSHAOHE-TZMCWYRMSA-N 1 0 251.370 3.248 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@]2(CC)CCOC2)cc1 ZINC000378827715 799344154 /nfs/dbraw/zinc/34/41/54/799344154.db2.gz IILDNGOKCWFUCI-QGZVFWFLSA-N 1 0 276.424 3.192 20 10 CGCDRO COc1ccccc1C[C@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000378905717 799344618 /nfs/dbraw/zinc/34/46/18/799344618.db2.gz FBYINXZYKOMBDP-AWEZNQCLSA-N 1 0 297.398 3.351 20 10 CGCDRO CC(=O)c1cc(F)cc(C[N@H+]2C[C@H](C)CC2(C)C)c1O ZINC000380367838 799362318 /nfs/dbraw/zinc/36/23/18/799362318.db2.gz NQMYELMWIARXFR-SNVBAGLBSA-N 1 0 279.355 3.354 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+][C@H]2CCC(F)(F)C2)c1O ZINC000381943484 799389701 /nfs/dbraw/zinc/38/97/01/799389701.db2.gz ZMCCKLJTXJIYPW-JTQLQIEISA-N 1 0 291.725 3.332 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](CO)C2CCCC2)cc1 ZINC000386178838 799431554 /nfs/dbraw/zinc/43/15/54/799431554.db2.gz OGKJYUUVFMTAEY-SFHVURJKSA-N 1 0 290.451 3.174 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](CO)C1CCCCC1)c1ccccc1O ZINC000386255032 799434156 /nfs/dbraw/zinc/43/41/56/799434156.db2.gz LSMBIVICNQBUPR-CVEARBPZSA-N 1 0 277.408 3.374 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]CCCOc1ccccc1)CC2 ZINC000386807648 799440184 /nfs/dbraw/zinc/44/01/84/799440184.db2.gz ONDAGGWEDNAGEO-INIZCTEOSA-N 1 0 283.371 3.438 20 10 CGCDRO CCC1([NH2+]Cc2cc(Cl)ccc2O)CCOCC1 ZINC000389347653 799462270 /nfs/dbraw/zinc/46/22/70/799462270.db2.gz UNJPXZHHDBEDJL-UHFFFAOYSA-N 1 0 269.772 3.094 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2O)[C@H]1C ZINC000390530716 799471894 /nfs/dbraw/zinc/47/18/94/799471894.db2.gz IJOSRHCZJDQDND-PTRXPTGYSA-N 1 0 284.197 3.289 20 10 CGCDRO O[C@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC000393402990 799486528 /nfs/dbraw/zinc/48/65/28/799486528.db2.gz RNIZAJQTUZBVTQ-LJQANCHMSA-N 1 0 296.414 3.110 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2C[C@H](C)O[C@H]2C)cc1 ZINC000395091257 799501715 /nfs/dbraw/zinc/50/17/15/799501715.db2.gz ZXSBINYRXQJKFA-GRDNDAEWSA-N 1 0 276.424 3.188 20 10 CGCDRO C[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)CC(F)(F)F ZINC000396932364 799511566 /nfs/dbraw/zinc/51/15/66/799511566.db2.gz OSFXPUBNHIOXJK-SNVBAGLBSA-N 1 0 273.298 3.300 20 10 CGCDRO C[C@@H](C[NH2+]Cc1cc(F)ccc1O)CC(F)(F)F ZINC000397053976 799513471 /nfs/dbraw/zinc/51/34/71/799513471.db2.gz VXUUKWOUPWUBQY-MRVPVSSYSA-N 1 0 265.250 3.209 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H](C)CCC2CC2)c1O ZINC000398212452 799528981 /nfs/dbraw/zinc/52/89/81/799528981.db2.gz KIERXDNIOCVZIY-LBPRGKRZSA-N 1 0 263.381 3.459 20 10 CGCDRO CC[C@]1(C)CC[N@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000399276746 799537928 /nfs/dbraw/zinc/53/79/28/799537928.db2.gz DMUPWBRJZSKIKT-MRXNPFEDSA-N 1 0 279.355 3.356 20 10 CGCDRO CCOC(=O)CC(=[NH2+])Nc1ccc(-n2c(C)ccc2C)cc1 ZINC001163446240 806763585 /nfs/dbraw/zinc/76/35/85/806763585.db2.gz BFJSVXVGKFVFAU-UHFFFAOYSA-N 1 0 299.374 3.437 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2C[C@H](C)O[C@@H]2C)c1 ZINC000686509270 799734337 /nfs/dbraw/zinc/73/43/37/799734337.db2.gz QJVALYFUHJNVKD-FQUUOJAGSA-N 1 0 263.381 3.165 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2COC3(CCC3)C2)c1 ZINC000688283051 799745642 /nfs/dbraw/zinc/74/56/42/799745642.db2.gz NDEASNFEHJRDKS-QWHCGFSZSA-N 1 0 261.365 3.063 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCC[C@@H](C)O2)c1O ZINC000688903985 799757890 /nfs/dbraw/zinc/75/78/90/799757890.db2.gz ZUFIFDOZRWWCCJ-MFKMUULPSA-N 1 0 299.798 3.101 20 10 CGCDRO C[C@@]1(C[NH2+][C@@H]2CCc3cccc(O)c32)CC1(F)F ZINC000689215687 799761870 /nfs/dbraw/zinc/76/18/70/799761870.db2.gz YDDSMXWNZATBPL-MFKMUULPSA-N 1 0 253.292 3.014 20 10 CGCDRO Cc1ccc(CC[NH2+]Cc2c(O)cccc2Cl)o1 ZINC000689748849 799767522 /nfs/dbraw/zinc/76/75/22/799767522.db2.gz QFPGHPSGHKJHQT-UHFFFAOYSA-N 1 0 265.740 3.279 20 10 CGCDRO Cc1ccc(CC[NH2+][C@H](C)c2cc(F)ccc2O)o1 ZINC000689806892 799769037 /nfs/dbraw/zinc/76/90/37/799769037.db2.gz IYWOSHIBOSIKAJ-LLVKDONJSA-N 1 0 263.312 3.326 20 10 CGCDRO C[C@@H]1CC[C@H]1[NH2+]Cc1ccc(Br)cc1O ZINC000691394131 799784074 /nfs/dbraw/zinc/78/40/74/799784074.db2.gz AOPRWLDZLGJQLA-LDYMZIIASA-N 1 0 270.170 3.043 20 10 CGCDRO CCc1cccc(C[NH2+][C@H](C)c2ccccn2)c1O ZINC000691507890 799785308 /nfs/dbraw/zinc/78/53/08/799785308.db2.gz TXAROOXHOJXQEB-GFCCVEGCSA-N 1 0 256.349 3.200 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@](C)(CC)C2CC2)c1O ZINC000691605830 799786366 /nfs/dbraw/zinc/78/63/66/799786366.db2.gz MFPRIUSNHBVOGT-INIZCTEOSA-N 1 0 263.381 3.459 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)c1O ZINC000694346770 799821432 /nfs/dbraw/zinc/82/14/32/799821432.db2.gz RGGVMYXMDYMQIG-JIMOISOXSA-N 1 0 281.783 3.332 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2c(O)cccc2Cl)C[C@H](C)O1 ZINC000694791172 799824630 /nfs/dbraw/zinc/82/46/30/799824630.db2.gz XJDZCLOHUFQPQC-JGPRNRPPSA-N 1 0 269.772 3.091 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H](C)CC(F)F)c1cc(F)ccc1O ZINC000697750479 799848415 /nfs/dbraw/zinc/84/84/15/799848415.db2.gz CFKFBWGSIAFVSQ-DTWKUNHWSA-N 1 0 261.287 3.473 20 10 CGCDRO CCc1cccc(C[NH2+][C@H](C)c2cscn2)c1O ZINC000697903426 799849863 /nfs/dbraw/zinc/84/98/63/799849863.db2.gz SIQJPFJNWBWPGL-SNVBAGLBSA-N 1 0 262.378 3.262 20 10 CGCDRO C[C@H]([NH2+]CC[C@@H]1CC1(F)F)c1ccc(N(C)C)cc1 ZINC000701950195 799899903 /nfs/dbraw/zinc/89/99/03/799899903.db2.gz HSXAZYHOZCAXRB-WCQYABFASA-N 1 0 268.351 3.449 20 10 CGCDRO CCC[C@@H](C[NH2+]Cc1cccc(OCC)c1O)OCC ZINC000705344441 799948134 /nfs/dbraw/zinc/94/81/34/799948134.db2.gz RQVMADGILXSFQS-AWEZNQCLSA-N 1 0 281.396 3.086 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCC3(CCC3)O2)c1 ZINC000711458563 800060278 /nfs/dbraw/zinc/06/02/78/800060278.db2.gz YGWLVTWTGUAELJ-KBPBESRZSA-N 1 0 275.392 3.453 20 10 CGCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](CF)C2)c1O ZINC000711468488 800061992 /nfs/dbraw/zinc/06/19/92/800061992.db2.gz DWKJTTWWUSUKNT-JTQLQIEISA-N 1 0 285.746 3.040 20 10 CGCDRO CCCN(CC(C)(C)COC)c1ccc(C[NH3+])cc1 ZINC000712602104 800095227 /nfs/dbraw/zinc/09/52/27/800095227.db2.gz BYWLWUFDAUJWOY-UHFFFAOYSA-N 1 0 264.413 3.034 20 10 CGCDRO CO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2O)C12CCC2 ZINC000713496534 800111155 /nfs/dbraw/zinc/11/11/55/800111155.db2.gz NXZLVXUJDDOWCQ-KCPJHIHWSA-N 1 0 261.365 3.000 20 10 CGCDRO Cc1cccc(C[NH2+]CC[C@@H]2CCC3(CCC3)O2)c1O ZINC000717116725 800193649 /nfs/dbraw/zinc/19/36/49/800193649.db2.gz UMYAMWLMQFPSSK-HNNXBMFYSA-N 1 0 275.392 3.282 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CC(C)(C)CO2)c(O)c1 ZINC000717324149 800199848 /nfs/dbraw/zinc/19/98/48/800199848.db2.gz VJOZIQJNRVQTRS-OLZOCXBDSA-N 1 0 263.381 3.166 20 10 CGCDRO COc1cccc(C[C@@H](C)[NH2+]Cc2ccccc2O)c1 ZINC001256144878 806832797 /nfs/dbraw/zinc/83/27/97/806832797.db2.gz UVVJCOAKRVKSGJ-CYBMUJFWSA-N 1 0 271.360 3.122 20 10 CGCDRO Cc1cc(C)c(C[NH2+][C@@H](C)Cc2ccccn2)c(O)c1 ZINC001256406989 806885870 /nfs/dbraw/zinc/88/58/70/806885870.db2.gz XYCBPQVGGPUZMY-AWEZNQCLSA-N 1 0 270.376 3.125 20 10 CGCDRO Cc1cc(C)c(C[NH2+][C@@H](C)CCC(=O)OC(C)C)c(O)c1 ZINC001172746928 808428975 /nfs/dbraw/zinc/42/89/75/808428975.db2.gz WKAOZVLYNSHNBO-AWEZNQCLSA-N 1 0 293.407 3.219 20 10 CGCDRO COc1cccc(C[NH2+][C@@H](C)Cc2ccc(C)cc2)c1O ZINC001117638036 802472748 /nfs/dbraw/zinc/47/27/48/802472748.db2.gz LCLZGVPZPGLCSD-AWEZNQCLSA-N 1 0 285.387 3.430 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+][C@@H]1CC[C@H]3[C@@H](C1)C3(F)F)CC2 ZINC001118489429 802576614 /nfs/dbraw/zinc/57/66/14/802576614.db2.gz LNVJVVLBJLCXIN-YVECIDJPSA-N 1 0 279.330 3.403 20 10 CGCDRO CC(C)c1cccc(N(C)C(=O)C2=CCC[NH2+]CC2)c1 ZINC001121939624 802851827 /nfs/dbraw/zinc/85/18/27/802851827.db2.gz ZZJCSWOHVHEDSW-UHFFFAOYSA-N 1 0 272.392 3.083 20 10 CGCDRO Cc1cc(C[N@@H+](C)[C@@H]2CCOC2)c(C)n1-c1ccccc1 ZINC001137858009 803785899 /nfs/dbraw/zinc/78/58/99/803785899.db2.gz SNVUAFKCVMCSJK-GOSISDBHSA-N 1 0 284.403 3.315 20 10 CGCDRO Cc1cc(C[N@@H+]2CC[C@]23CCOC3)c(C)n1-c1ccccc1 ZINC001137859412 803787430 /nfs/dbraw/zinc/78/74/30/803787430.db2.gz XGNJWZVKXOBVRP-LJQANCHMSA-N 1 0 296.414 3.459 20 10 CGCDRO O=C1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC001138215572 803874756 /nfs/dbraw/zinc/87/47/56/803874756.db2.gz JWARCIPFRFWEBV-UHFFFAOYSA-N 1 0 286.419 3.232 20 10 CGCDRO Cc1c(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)c2ccccc2n1C ZINC001138252782 803881225 /nfs/dbraw/zinc/88/12/25/803881225.db2.gz UWPAAFJHGFAKMN-DNVCBOLYSA-N 1 0 298.430 3.488 20 10 CGCDRO CCCO[C@H]1CC[N@H+](Cc2c(C)n(C)c3ccccc32)C1 ZINC001138257005 803882472 /nfs/dbraw/zinc/88/24/72/803882472.db2.gz RUAMBRVOJLJHHC-HNNXBMFYSA-N 1 0 286.419 3.488 20 10 CGCDRO Cc1c(C[N@H+]2C[C@@H](C)OC[C@H]2C)c2ccccc2n1C ZINC001138257883 803883047 /nfs/dbraw/zinc/88/30/47/803883047.db2.gz BNGMOBRTKWUHQG-CHWSQXEVSA-N 1 0 272.392 3.096 20 10 CGCDRO Cc1c(C[N@@H+]2CCC[C@@]3(CCO3)C2)c2ccccc2n1C ZINC001138258407 803885843 /nfs/dbraw/zinc/88/58/43/803885843.db2.gz RSQYNGDUSHLDLU-GOSISDBHSA-N 1 0 284.403 3.242 20 10 CGCDRO CN1CCCc2cc(C[N@H+](C)Cc3cccc(O)c3)ccc21 ZINC001138354305 803900493 /nfs/dbraw/zinc/90/04/93/803900493.db2.gz DMXVFNRXVUYVMO-UHFFFAOYSA-N 1 0 296.414 3.407 20 10 CGCDRO CC[N@H+](Cc1cccnc1)Cc1ccc2c(c1)CCCN2C ZINC001138357792 803902342 /nfs/dbraw/zinc/90/23/42/803902342.db2.gz KOQKRHRJVLUENE-UHFFFAOYSA-N 1 0 295.430 3.486 20 10 CGCDRO CN1CCCc2cc(C[N@H+](C)C3CCCC3)ccc21 ZINC001138358722 803902952 /nfs/dbraw/zinc/90/29/52/803902952.db2.gz YMPQHVWVYWHFMR-UHFFFAOYSA-N 1 0 258.409 3.443 20 10 CGCDRO Cc1ccc(C)c(C[N@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)c1O ZINC001140181973 804397165 /nfs/dbraw/zinc/39/71/65/804397165.db2.gz YVKYGVFBNXOSNF-BETUJISGSA-N 1 0 281.346 3.486 20 10 CGCDRO C[N@@H+](Cc1ccc(Cl)cc1O)C[C@@H]1CCCCO1 ZINC001140467261 804443777 /nfs/dbraw/zinc/44/37/77/804443777.db2.gz SJHOPGINHQGRPD-ZDUSSCGKSA-N 1 0 269.772 3.047 20 10 CGCDRO CC[N@H+](Cc1ccccc1O)Cc1c([O-])cc(F)cc1F ZINC001140584491 804468478 /nfs/dbraw/zinc/46/84/78/804468478.db2.gz TYKKSLHQHLONHW-UHFFFAOYSA-N 1 0 293.313 3.398 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+](C(C)C)C2CCN(C)CC2)c1 ZINC001140624516 804478324 /nfs/dbraw/zinc/47/83/24/804478324.db2.gz ZMLOWGGSELBXAF-UHFFFAOYSA-N 1 0 276.424 3.005 20 10 CGCDRO Cc1c(O)ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)c1O ZINC001140742544 804503218 /nfs/dbraw/zinc/50/32/18/804503218.db2.gz RJXJGCBCWSJKLY-BETUJISGSA-N 1 0 261.365 3.028 20 10 CGCDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@@](C)(F)CC2)c1O ZINC001140742641 804503312 /nfs/dbraw/zinc/50/33/12/804503312.db2.gz TVBWYLBAXYXRRJ-OAHLLOKOSA-N 1 0 267.344 3.120 20 10 CGCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@H]3CCC[C@@H]3C2)c1O ZINC001140744435 804503394 /nfs/dbraw/zinc/50/33/94/804503394.db2.gz XFCYNWZCNYIDJZ-CHWSQXEVSA-N 1 0 261.365 3.028 20 10 CGCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@@H](c3ccccc3)C2)c1O ZINC001140742631 804503462 /nfs/dbraw/zinc/50/34/62/804503462.db2.gz SSKUYZCNBQFFEC-OAHLLOKOSA-N 1 0 283.371 3.396 20 10 CGCDRO CCC[N@H+](CC)Cc1ccc(N(CC)CC)cc1O ZINC001140851174 804534129 /nfs/dbraw/zinc/53/41/29/804534129.db2.gz FGGKLJBKZZAALL-UHFFFAOYSA-N 1 0 264.413 3.470 20 10 CGCDRO COCC1CC[NH+](Cc2ccc(N(C)C)cc2Cl)CC1 ZINC001140921319 804548668 /nfs/dbraw/zinc/54/86/68/804548668.db2.gz BASHYMICPSPENZ-UHFFFAOYSA-N 1 0 296.842 3.264 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)c(Cl)c1 ZINC001140923448 804550577 /nfs/dbraw/zinc/55/05/77/804550577.db2.gz AUWJTBZOZCVXHL-CORIIIEPSA-N 1 0 282.790 3.338 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](C)[C@H]2C)c(OC)c1 ZINC001141028206 804574363 /nfs/dbraw/zinc/57/43/63/804574363.db2.gz FUWZJNUALPNFFK-VXGBXAGGSA-N 1 0 279.380 3.030 20 10 CGCDRO c1c(C[NH+]2CCCCC2)cc2c3c1CCCN3CCC2 ZINC001141074528 804584796 /nfs/dbraw/zinc/58/47/96/804584796.db2.gz KXGORWQUVFLTNU-UHFFFAOYSA-N 1 0 270.420 3.371 20 10 CGCDRO CN1CCOc2cc(C[N@@H+]3CCC34CCCCC4)ccc21 ZINC001141140418 804596621 /nfs/dbraw/zinc/59/66/21/804596621.db2.gz LQDQWFASRSSBLO-UHFFFAOYSA-N 1 0 286.419 3.424 20 10 CGCDRO CN1CCOc2cc(C[N@@H+]3CC[C@H]3c3ccccc3)ccc21 ZINC001141144224 804596631 /nfs/dbraw/zinc/59/66/31/804596631.db2.gz WMGXTSYPMVGTMU-KRWDZBQOSA-N 1 0 294.398 3.462 20 10 CGCDRO CN1CCOc2cc(C[N@H+]3C[C@@H]4CCCC[C@@H]4C3)ccc21 ZINC001141141506 804596960 /nfs/dbraw/zinc/59/69/60/804596960.db2.gz ZFOQLPNRISGMNR-IYBDPMFKSA-N 1 0 286.419 3.137 20 10 CGCDRO C[C@@H]1c2ccccc2CC[N@H+]1Cc1cc(O)ccc1O ZINC001141156056 804599801 /nfs/dbraw/zinc/59/98/01/804599801.db2.gz DPVIQIAIPGCUQK-GFCCVEGCSA-N 1 0 269.344 3.217 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2cccc(C(C)(C)C)c2O)C[C@@]1(C)O ZINC001143104194 804801622 /nfs/dbraw/zinc/80/16/22/804801622.db2.gz QKPWMBWDGASJMK-FZKQIMNGSA-N 1 0 291.435 3.283 20 10 CGCDRO CC(C)(C)c1cccc(C[N@@H+]2CC[C@]3(CCCO3)C2)c1O ZINC001143104735 804801814 /nfs/dbraw/zinc/80/18/14/804801814.db2.gz YUPLFEYFPJJOIO-GOSISDBHSA-N 1 0 289.419 3.445 20 10 CGCDRO CC(C)(C)c1cccc(C[N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)c1O ZINC001143111874 804803289 /nfs/dbraw/zinc/80/32/89/804803289.db2.gz HEKUMYJZNMVZJE-ZSOGYDGISA-N 1 0 277.383 3.337 20 10 CGCDRO C[N@H+](Cc1cnccn1)Cc1cccc(C(C)(C)C)c1O ZINC001143110972 804803749 /nfs/dbraw/zinc/80/37/49/804803749.db2.gz UFGHGFJRFOTDTE-UHFFFAOYSA-N 1 0 285.391 3.112 20 10 CGCDRO CC(C)[N@H+](Cc1ccccc1)Cc1c(O)cc(O)cc1O ZINC001144499860 804996424 /nfs/dbraw/zinc/99/64/24/804996424.db2.gz MKHGVDIBUJJATK-UHFFFAOYSA-N 1 0 287.359 3.214 20 10 CGCDRO Cc1cc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)cs1 ZINC001248803997 804997699 /nfs/dbraw/zinc/99/76/99/804997699.db2.gz HOAGCCYNMRJIDN-UHFFFAOYSA-N 1 0 289.400 3.416 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)C[C@@H]1F ZINC001249223237 805115746 /nfs/dbraw/zinc/11/57/46/805115746.db2.gz BYSHHYDIDNFMSG-RISCZKNCSA-N 1 0 291.366 3.366 20 10 CGCDRO CC1(C)C=Cc2c(O)c(C[NH+]3CCSCC3)ccc2O1 ZINC001249230363 805116619 /nfs/dbraw/zinc/11/66/19/805116619.db2.gz DYHXNXWCOGURHT-UHFFFAOYSA-N 1 0 291.416 3.125 20 10 CGCDRO CCC[C@H](C)[NH2+]C1CCN(Cc2ccccc2O)CC1 ZINC001257310320 807099575 /nfs/dbraw/zinc/09/95/75/807099575.db2.gz BAJXSBORYLERBU-AWEZNQCLSA-N 1 0 276.424 3.135 20 10 CGCDRO Oc1cc2ccccc2cc1C[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC001167908459 807271599 /nfs/dbraw/zinc/27/15/99/807271599.db2.gz DURNLBKSURLHPT-MIFYACCESA-N 1 0 253.345 3.434 20 10 CGCDRO CC(C)C[C@H](C)C[C@@H](C)[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001258053123 807279788 /nfs/dbraw/zinc/27/97/88/807279788.db2.gz WIRIKEXAKLHONY-AHIWAGSCSA-N 1 0 295.423 3.182 20 10 CGCDRO C[C@H]1C[C@H]([NH2+]Cc2cc3ccccc3cc2O)CCO1 ZINC001168090652 807309504 /nfs/dbraw/zinc/30/95/04/807309504.db2.gz GESNXQJJYXGPCK-BLLLJJGKSA-N 1 0 271.360 3.203 20 10 CGCDRO CCOC(=O)CCC[C@H](C)[NH2+]Cc1c(C)cc(C)cc1O ZINC001258108821 807312389 /nfs/dbraw/zinc/31/23/89/807312389.db2.gz BLQQAISBPVCAGY-AWEZNQCLSA-N 1 0 293.407 3.221 20 10 CGCDRO C[C@H]1C[C@@H]([NH2+]CCc2cc(O)c(O)cc2O)CC(C)(C)C1 ZINC001258687567 807543662 /nfs/dbraw/zinc/54/36/62/807543662.db2.gz RBZGOTHCHNSWHR-WCQYABFASA-N 1 0 293.407 3.150 20 10 CGCDRO CC[C@H](C)C[C@H](CC)[NH2+]CCc1cc(O)c(O)cc1O ZINC001258780592 807608670 /nfs/dbraw/zinc/60/86/70/807608670.db2.gz PLSZMJCAOHXNNM-AAEUAGOBSA-N 1 0 281.396 3.150 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H]2CCc3cccc(F)c3C2)c1O ZINC001170967827 807947583 /nfs/dbraw/zinc/94/75/83/807947583.db2.gz BFWOPDBAANWICB-OAHLLOKOSA-N 1 0 285.362 3.487 20 10 CGCDRO CC[C@H](C)OCC[C@@H](C)[NH2+]Cc1cccc(C)c1O ZINC001172334291 808237822 /nfs/dbraw/zinc/23/78/22/808237822.db2.gz HOLNHQRXMNBXDP-KGLIPLIRSA-N 1 0 265.397 3.384 20 10 CGCDRO CCOCC[C@@H](C)[N@H+](CC)Cc1ccccc1O ZINC001172434506 808311840 /nfs/dbraw/zinc/31/18/40/808311840.db2.gz XQXOKABRLCDLSM-CYBMUJFWSA-N 1 0 251.370 3.029 20 10 CGCDRO CC1(C)CC([NH2+]Cc2ccccc2O)CC(C)(C)O1 ZINC001172643912 808406251 /nfs/dbraw/zinc/40/62/51/808406251.db2.gz FJJFYRPNWFDCSB-UHFFFAOYSA-N 1 0 263.381 3.218 20 10 CGCDRO COC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2ccccc2O)CC1 ZINC001172793042 808440625 /nfs/dbraw/zinc/44/06/25/808440625.db2.gz SFKZJXKCIZSPBP-MJBXVCDLSA-N 1 0 291.391 3.165 20 10 CGCDRO Cc1ccc2c(c1)C[C@H]([NH2+]Cc1ccc(O)c(O)c1)CC2 ZINC001172841896 808456545 /nfs/dbraw/zinc/45/65/45/808456545.db2.gz JTXJYBRYTCNIND-MRXNPFEDSA-N 1 0 283.371 3.053 20 10 CGCDRO CCCC[C@@H](CC(C)C)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001173245335 808553279 /nfs/dbraw/zinc/55/32/79/808553279.db2.gz DPHIYPCKAJIIEJ-WMLDXEAASA-N 1 0 295.423 3.326 20 10 CGCDRO COc1ccc(C(=O)c2ccccc2Nc2[nH]cc[nH+]2)cc1 ZINC001176085399 809619402 /nfs/dbraw/zinc/61/94/02/809619402.db2.gz GPOKGBXQGXQRMG-UHFFFAOYSA-N 1 0 293.326 3.393 20 10 CGCDRO CCC1(CC)[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C[C@@H]1OC ZINC001178284766 809857497 /nfs/dbraw/zinc/85/74/97/809857497.db2.gz ALEZWRRIHUPVKL-IRXDYDNUSA-N 1 0 289.419 3.305 20 10 CGCDRO C[C@@]1(C[NH2+]Cc2ccc(Cl)cc2O)CCO[C@@H]1C1CC1 ZINC001180592108 810011866 /nfs/dbraw/zinc/01/18/66/810011866.db2.gz BSLWUWOWBUKNPJ-CVEARBPZSA-N 1 0 295.810 3.340 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+]CC3(C)CCCC3)C2)cc1 ZINC001182856893 810127590 /nfs/dbraw/zinc/12/75/90/810127590.db2.gz YYCOMHOQJMZXLW-HNNXBMFYSA-N 1 0 288.435 3.444 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+][C@@]23C[C@@H]2COC3(C)C)c1 ZINC001182891052 810128999 /nfs/dbraw/zinc/12/89/99/810128999.db2.gz ILAXLIOMVNICIN-PBHICJAKSA-N 1 0 275.392 3.173 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@](C)(CC)CCO)cc1C ZINC001201357853 811819034 /nfs/dbraw/zinc/81/90/34/811819034.db2.gz VEZCHNPWTWTDJU-QGZVFWFLSA-N 1 0 279.424 3.425 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CCc2ccsc2)cc1F ZINC001201529302 811886614 /nfs/dbraw/zinc/88/66/14/811886614.db2.gz JEKNVICPZQIJAB-UHFFFAOYSA-N 1 0 278.396 3.286 20 10 CGCDRO CSCC[N@H+](C)Cc1ccc(C(C)C)cc1O ZINC001237056746 819653534 /nfs/dbraw/zinc/65/35/34/819653534.db2.gz ZISGTGFQNPGXSD-UHFFFAOYSA-N 1 0 253.411 3.310 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@H]2C[C@H](O)C23CCC3)cc1C ZINC001203128141 812247329 /nfs/dbraw/zinc/24/73/29/812247329.db2.gz SDAMNSXJMIDBMB-IRXDYDNUSA-N 1 0 289.419 3.177 20 10 CGCDRO C[C@@H]([NH2+]Cc1cccc2c[nH]nc21)c1ccccc1O ZINC001203536194 812387541 /nfs/dbraw/zinc/38/75/41/812387541.db2.gz ICXXWLMTQBOFCM-LLVKDONJSA-N 1 0 267.332 3.119 20 10 CGCDRO C[N@H+](CC/C=C/c1cccnc1)Cc1ccccc1O ZINC001203558523 812392744 /nfs/dbraw/zinc/39/27/44/812392744.db2.gz LSOKGNILZYBJKT-QPJJXVBHSA-N 1 0 268.360 3.323 20 10 CGCDRO COc1cccc(C[N@@H+]2CC[C@H]3CCC[C@H]3C2)c1O ZINC001203589083 812402020 /nfs/dbraw/zinc/40/20/20/812402020.db2.gz DDKBHKMLNMISNN-OLZOCXBDSA-N 1 0 261.365 3.023 20 10 CGCDRO COc1ccc(C[N@@H+]2CCC[C@](C)(F)CC2)c(O)c1 ZINC001203621292 812409008 /nfs/dbraw/zinc/40/90/08/812409008.db2.gz RSGWCWUYUXWTQK-HNNXBMFYSA-N 1 0 267.344 3.115 20 10 CGCDRO COc1ccc(C[N@@H+]2CCC[C@@](C)(F)CC2)c(O)c1 ZINC001203621293 812409502 /nfs/dbraw/zinc/40/95/02/812409502.db2.gz RSGWCWUYUXWTQK-OAHLLOKOSA-N 1 0 267.344 3.115 20 10 CGCDRO COc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(C)nc2)c(O)c1 ZINC001203629238 812411205 /nfs/dbraw/zinc/41/12/05/812411205.db2.gz UBRRRBNHUFOVAH-QGZVFWFLSA-N 1 0 298.386 3.441 20 10 CGCDRO COc1ccc(C[NH+]2CC(c3ccccc3)C2)c(O)c1 ZINC001203628732 812411357 /nfs/dbraw/zinc/41/13/57/812411357.db2.gz GTUBMLCQTHLBGJ-UHFFFAOYSA-N 1 0 269.344 3.000 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)C2CCOCC2)cc1 ZINC001203936757 812496176 /nfs/dbraw/zinc/49/61/76/812496176.db2.gz MLGHSXZOGSLNLS-UHFFFAOYSA-N 1 0 276.424 3.144 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@](C)(O)[C@H](C)C2)cc1 ZINC001203939972 812497353 /nfs/dbraw/zinc/49/73/53/812497353.db2.gz HCPROBSAODOHIN-CRAIPNDOSA-N 1 0 290.451 3.126 20 10 CGCDRO CC[N@H+](CCN(C)C)Cc1ccc(N(C)C)c2ccccc12 ZINC001204233239 812580305 /nfs/dbraw/zinc/58/03/05/812580305.db2.gz PFZRXGYECVVVDJ-UHFFFAOYSA-N 1 0 299.462 3.289 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2ccc(N(C)C)c3ccccc23)C[C@@H]1O ZINC001204234068 812581282 /nfs/dbraw/zinc/58/12/82/812581282.db2.gz WOWRYCBOZIEDDV-KUHUBIRLSA-N 1 0 298.430 3.109 20 10 CGCDRO CCOC1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204327241 812614328 /nfs/dbraw/zinc/61/43/28/812614328.db2.gz MTCDICQAVRQPPX-UHFFFAOYSA-N 1 0 288.435 3.288 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CC[C@H](C(C)C)C2)c(O)c1 ZINC001204388401 812626278 /nfs/dbraw/zinc/62/62/78/812626278.db2.gz BUTCMAATPIJSFX-ZDUSSCGKSA-N 1 0 263.381 3.187 20 10 CGCDRO CC(C)(C)c1cccc(CN2CCCC[C@@H]2C[NH3+])c1O ZINC001204925428 812778139 /nfs/dbraw/zinc/77/81/39/812778139.db2.gz SIEZGFXOCVVWAZ-CQSZACIVSA-N 1 0 276.424 3.003 20 10 CGCDRO [NH3+]C[C@@H]1CCCCN1Cc1cc(Cl)c(Cl)cc1O ZINC001204931331 812781321 /nfs/dbraw/zinc/78/13/21/812781321.db2.gz AXLXEKXONKRPEQ-JTQLQIEISA-N 1 0 289.206 3.012 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(CN2CCCC[C@H]([NH3+])C2)cc1 ZINC001205931306 813139202 /nfs/dbraw/zinc/13/92/02/813139202.db2.gz IOUQBQUAUTYIOU-SFHVURJKSA-N 1 0 297.446 3.407 20 10 CGCDRO COc1cc(C)c(C[NH+]2CC(Cc3ccccc3)C2)c(O)c1 ZINC001206174938 813226680 /nfs/dbraw/zinc/22/66/80/813226680.db2.gz WPGQWEPDOIGCNZ-UHFFFAOYSA-N 1 0 297.398 3.384 20 10 CGCDRO C[C@@H]1CN(Cc2cc(Cl)c(C(C)(C)C)cc2O)CC[NH2+]1 ZINC001206396531 813313286 /nfs/dbraw/zinc/31/32/86/813313286.db2.gz NEYCRCKCJJFCHK-LLVKDONJSA-N 1 0 296.842 3.137 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)C[C@H]2CCOC(C)(C)C2)cc1 ZINC001207367797 813551916 /nfs/dbraw/zinc/55/19/16/813551916.db2.gz VWAWURHMPUQGKZ-INIZCTEOSA-N 1 0 290.451 3.390 20 10 CGCDRO COc1cc(C)cc(C[NH2+]C[C@@H]2OCc3ccccc32)c1O ZINC001207806309 813655376 /nfs/dbraw/zinc/65/53/76/813655376.db2.gz SZWDHLSXKWGJPF-KRWDZBQOSA-N 1 0 299.370 3.070 20 10 CGCDRO CC/C=C\CC[NH+]1CCN(c2ccc(OC)cc2C)CC1 ZINC001208734703 813823048 /nfs/dbraw/zinc/82/30/48/813823048.db2.gz RXTTTZYFNHKICO-WAYWQWQTSA-N 1 0 288.435 3.482 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC001209516160 814071012 /nfs/dbraw/zinc/07/10/12/814071012.db2.gz BGNUPTXWHVLSTH-KDURUIRLSA-N 1 0 296.414 3.457 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CC[C@H]3OCC[C@H]32)cc1 ZINC001209516531 814071819 /nfs/dbraw/zinc/07/18/19/814071819.db2.gz JRDNSMDSAKIJHF-RTBURBONSA-N 1 0 296.414 3.457 20 10 CGCDRO C[C@@H]1C[NH2+]C[C@H](C)N1Cc1ccc(N(C)C)c2ccccc12 ZINC001209856973 814171950 /nfs/dbraw/zinc/17/19/50/814171950.db2.gz ZKKZBHUJTNAPJQ-GASCZTMLSA-N 1 0 297.446 3.088 20 10 CGCDRO CC(C)CC[C@H](C)Oc1ccc(N2CC[NH2+]CC2)cc1 ZINC001218293793 816155879 /nfs/dbraw/zinc/15/58/79/816155879.db2.gz GIYVHSQCCMNLPT-HNNXBMFYSA-N 1 0 276.424 3.300 20 10 CGCDRO CC(C)(C)c1cccc(CN2CC[C@]23CCC[NH2+]C3)c1O ZINC001222198916 816373467 /nfs/dbraw/zinc/37/34/67/816373467.db2.gz YFXQPWJASBMVCP-SFHVURJKSA-N 1 0 288.435 3.018 20 10 CGCDRO Oc1ccc2ccccc2c1C[NH+]1CC2(C1)CCCCO2 ZINC001231586965 818130324 /nfs/dbraw/zinc/13/03/24/818130324.db2.gz NYNIKYLIKSDNTK-UHFFFAOYSA-N 1 0 283.371 3.300 20 10 CGCDRO CCOc1ccc(C[N@H+](C)Cc2ccc(N(C)C)cc2)cn1 ZINC001231655328 818148437 /nfs/dbraw/zinc/14/84/37/818148437.db2.gz CLLNIQJFHUGMHN-UHFFFAOYSA-N 1 0 299.418 3.178 20 10 CGCDRO COc1cc(N(C)C)ccc1C[N@H+](C)Cc1ccccc1 ZINC001231848462 818187659 /nfs/dbraw/zinc/18/76/59/818187659.db2.gz HKPMHPJRABAPRQ-UHFFFAOYSA-N 1 0 284.403 3.393 20 10 CGCDRO Cc1cc(C)c(C[N@H+](C)Cc2ccccc2O)c(O)c1 ZINC001231848127 818187703 /nfs/dbraw/zinc/18/77/03/818187703.db2.gz HVRMUNXXQGHZCQ-UHFFFAOYSA-N 1 0 271.360 3.347 20 10 CGCDRO Cc1cc(C)c(C[NH+]2CCC(C(F)F)CC2)c(O)c1 ZINC001231846913 818187763 /nfs/dbraw/zinc/18/77/63/818187763.db2.gz SWQYNVWVWOSCLB-UHFFFAOYSA-N 1 0 269.335 3.486 20 10 CGCDRO CO[C@@H]1CCC[N@H+](Cc2c(C)cc(C)cc2O)CC1 ZINC001231846816 818187805 /nfs/dbraw/zinc/18/78/05/818187805.db2.gz PYGBXKBLONZGFX-CQSZACIVSA-N 1 0 263.381 3.010 20 10 CGCDRO Cc1cc(C)c(C[N@@H+]2CCC[C@H]2c2ncccn2)c(O)c1 ZINC001231850172 818188263 /nfs/dbraw/zinc/18/82/63/818188263.db2.gz LFHHVWAJDDAROF-HNNXBMFYSA-N 1 0 283.375 3.136 20 10 CGCDRO CC[N@H+](Cc1cccnc1)Cc1ccc(N(C)C)cc1OC ZINC001231852969 818189508 /nfs/dbraw/zinc/18/95/08/818189508.db2.gz CRUTXCASXILSOR-UHFFFAOYSA-N 1 0 299.418 3.178 20 10 CGCDRO CC(=O)[C@@H]1CCC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC001231881615 818198725 /nfs/dbraw/zinc/19/87/25/818198725.db2.gz YUFMMPZDZDGYKR-OAHLLOKOSA-N 1 0 283.371 3.346 20 10 CGCDRO Cc1ncccc1C[N@@H+](C)Cc1cc(Cl)c(O)cc1O ZINC001232263121 818297157 /nfs/dbraw/zinc/29/71/57/818297157.db2.gz HPGWBJWKMDABKT-UHFFFAOYSA-N 1 0 292.766 3.087 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CC[C@](C)(CF)C2)cc1Cl ZINC001232266622 818298944 /nfs/dbraw/zinc/29/89/44/818298944.db2.gz QHKRCQYSMXXZPZ-CQSZACIVSA-N 1 0 287.762 3.236 20 10 CGCDRO CC[N@H+](Cc1ccccc1O)Cc1ccccc1NC ZINC001232672538 818415338 /nfs/dbraw/zinc/41/53/38/818415338.db2.gz FFGUYYSOMXNSQJ-UHFFFAOYSA-N 1 0 270.376 3.456 20 10 CGCDRO CN(Cc1ccc(Cl)cc1)Cc1cc(O)c(O)c(O)c1 ZINC001233012580 818501154 /nfs/dbraw/zinc/50/11/54/818501154.db2.gz KXSLHWHPFHEEEU-UHFFFAOYSA-N 1 0 293.750 3.089 20 10 CGCDRO C[N@H+](Cc1cc(C(C)(C)C)ccc1O)[C@H]1CC[C@H](O)CC1 ZINC001233284250 818566502 /nfs/dbraw/zinc/56/65/02/818566502.db2.gz NNLRPHJVSHQABN-WKILWMFISA-N 1 0 291.435 3.425 20 10 CGCDRO C[C@H]1CCC[N@H+](Cc2cc(C(C)(C)C)ccc2O)[C@H]1CO ZINC001233284549 818568153 /nfs/dbraw/zinc/56/81/53/818568153.db2.gz ZCUUTHVQMFSKFJ-BBRMVZONSA-N 1 0 291.435 3.283 20 10 CGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](F)CC2)c1O ZINC001233287896 818570123 /nfs/dbraw/zinc/57/01/23/818570123.db2.gz LTNFWAVMDOVART-LBPRGKRZSA-N 1 0 287.762 3.378 20 10 CGCDRO CC(C)(C)C1CC[NH+](Cc2cc(O)c(O)cc2O)CC1 ZINC001233483239 818625516 /nfs/dbraw/zinc/62/55/16/818625516.db2.gz RTVCNSGIVPAICI-UHFFFAOYSA-N 1 0 279.380 3.062 20 10 CGCDRO C[N@H+](Cc1cccc(-c2ccccc2)c1O)[C@H]1CCOC1 ZINC001234996864 818972486 /nfs/dbraw/zinc/97/24/86/818972486.db2.gz NXYMFPXGZGFBLW-INIZCTEOSA-N 1 0 283.371 3.280 20 10 CGCDRO Cc1cc(CN2CCC[C@@H]3[NH2+]C[C@H]32)c(C)n1-c1ccccc1 ZINC001235301148 819064746 /nfs/dbraw/zinc/06/47/46/819064746.db2.gz RIXJESRXPSLPBO-RBUKOAKNSA-N 1 0 295.430 3.030 20 10 CGCDRO CC(C)(C)c1ccc(C[NH+]2CCC(C)(O)CC2)c(O)c1 ZINC001235676424 819136463 /nfs/dbraw/zinc/13/64/63/819136463.db2.gz SIOWPPKFVFYHLY-UHFFFAOYSA-N 1 0 277.408 3.037 20 10 CGCDRO C[C@H]1C[N@H+](Cc2ccc(C(C)(C)C)cc2O)CCCC1=O ZINC001235677017 819136733 /nfs/dbraw/zinc/13/67/33/819136733.db2.gz ZVBDLSQYZKRBBW-ZDUSSCGKSA-N 1 0 289.419 3.491 20 10 CGCDRO CC(C)(C)c1ccc(C[N@@H+]2CCC[C@H](O)CC2)c(O)c1 ZINC001235675906 819137565 /nfs/dbraw/zinc/13/75/65/819137565.db2.gz LXXHHSHNJVINDT-HNNXBMFYSA-N 1 0 277.408 3.037 20 10 CGCDRO CN(C)c1ccc(CN2CC[NH2+]CC2(C)C)c2ccccc21 ZINC001235822506 819175980 /nfs/dbraw/zinc/17/59/80/819175980.db2.gz JFGJLABWOXOPDI-UHFFFAOYSA-N 1 0 297.446 3.090 20 10 CGCDRO Cc1cc(Cl)cc(CN2CC[NH2+][C@@H](CC(C)C)C2)c1O ZINC001235884960 819197159 /nfs/dbraw/zinc/19/71/59/819197159.db2.gz OFNFPIOJFQBHTK-HNNXBMFYSA-N 1 0 296.842 3.174 20 10 CGCDRO Cc1cc(CN2C[C@H]3CC[C@]3([NH3+])C2)c(C)n1-c1ccccc1 ZINC001235977499 819256576 /nfs/dbraw/zinc/25/65/76/819256576.db2.gz GURNGWFCTWPCQL-MJGOQNOKSA-N 1 0 295.430 3.017 20 10 CGCDRO COc1cccc(CCC[N@H+](C)Cc2ccc(N)cc2)c1 ZINC001236041833 819281178 /nfs/dbraw/zinc/28/11/78/819281178.db2.gz LNCYZLKLOHHANQ-UHFFFAOYSA-N 1 0 284.403 3.342 20 10 CGCDRO CCN(CC[NH2+]C)Cc1cc(Cl)c(C(C)(C)C)cc1O ZINC001236145798 819346240 /nfs/dbraw/zinc/34/62/40/819346240.db2.gz LEYWUGXSQNUMOX-UHFFFAOYSA-N 1 0 298.858 3.384 20 10 CGCDRO CCN(CC)c1ccc(CN(C)[C@@]2(C)CCC[NH2+]C2)cc1 ZINC001236199121 819365836 /nfs/dbraw/zinc/36/58/36/819365836.db2.gz FAXZUCBTPCUGPM-SFHVURJKSA-N 1 0 289.467 3.107 20 10 CGCDRO Oc1ccc2ccccc2c1CN(C1CC1)[C@@H]1CCC[NH2+]C1 ZINC001236242366 819400905 /nfs/dbraw/zinc/40/09/05/819400905.db2.gz WPVPHFVONAHQMC-MRXNPFEDSA-N 1 0 296.414 3.262 20 10 CGCDRO CCCN(Cc1c2ccccc2n(C)c1C)[C@@H]1CC[NH2+]C1 ZINC001236324597 819426613 /nfs/dbraw/zinc/42/66/13/819426613.db2.gz XZMXPBQJJLURCP-OAHLLOKOSA-N 1 0 285.435 3.061 20 10 CGCDRO CC(C)(C)c1ccc(O)c(CN(C2CC2)[C@@H]2CC[NH2+]C2)c1 ZINC001236527545 819519286 /nfs/dbraw/zinc/51/92/86/819519286.db2.gz GJKVVUDVNQOERC-MRXNPFEDSA-N 1 0 288.435 3.016 20 10 CGCDRO CCc1ccc(C[N@H+](C)Cc2cnc3ccccn23)c(O)c1 ZINC001236782790 819593501 /nfs/dbraw/zinc/59/35/01/819593501.db2.gz DYUITYHJEGLVNO-UHFFFAOYSA-N 1 0 295.386 3.234 20 10 CGCDRO COc1ccc(C[N@@H+]2CCCC[C@H](F)C2)c([O-])c1Cl ZINC001236802105 819600160 /nfs/dbraw/zinc/60/01/60/819600160.db2.gz OOOLDCNRMAWXAE-NSHDSACASA-N 1 0 287.762 3.378 20 10 CGCDRO CC(C)C[NH+]1CCN(Cc2cc3ccccc3cc2O)CC1 ZINC001236830787 819611174 /nfs/dbraw/zinc/61/11/74/819611174.db2.gz RAOSJARRWGHDLK-UHFFFAOYSA-N 1 0 298.430 3.319 20 10 CGCDRO Oc1cc2ccccc2cc1C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC001236830442 819611953 /nfs/dbraw/zinc/61/19/53/819611953.db2.gz ALXDCGBSCVIFRY-QAPCUYQASA-N 1 0 283.371 3.156 20 10 CGCDRO CN(C1CC1)[C@@H]1CC[N@H+](Cc2cc3ccccc3cc2O)C1 ZINC001236837127 819616261 /nfs/dbraw/zinc/61/62/61/819616261.db2.gz OWKGRMHAOLQQAL-GOSISDBHSA-N 1 0 296.414 3.214 20 10 CGCDRO C[N@@H+](Cc1cc2ccccc2cc1O)CC1CC[NH+](C)CC1 ZINC001236841432 819618626 /nfs/dbraw/zinc/61/86/26/819618626.db2.gz KBAOWOHVGVEVCP-UHFFFAOYSA-N 1 0 298.430 3.319 20 10 CGCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1Cl)C(C)(C)C ZINC001236920325 819636356 /nfs/dbraw/zinc/63/63/56/819636356.db2.gz FOQXGWKIHXZYAY-UHFFFAOYSA-N 1 0 296.842 3.407 20 10 CGCDRO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1ccc(C(C)C)cc1O ZINC001237046975 819650856 /nfs/dbraw/zinc/65/08/56/819650856.db2.gz YAIJPZIVOHQTME-QGZVFWFLSA-N 1 0 291.391 3.043 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2CC[C@@H](C)[C@](C)(O)CC2)c(O)c1 ZINC001237047022 819651222 /nfs/dbraw/zinc/65/12/22/819651222.db2.gz YQNBHQDHOOGQJX-RDTXWAMCSA-N 1 0 291.435 3.499 20 10 CGCDRO CCO[C@@H]1CCC[N@H+](Cc2c(O)ccc(F)c2Cl)C1 ZINC001237124452 819672838 /nfs/dbraw/zinc/67/28/38/819672838.db2.gz LUSGMCZUKJJQJF-SNVBAGLBSA-N 1 0 287.762 3.186 20 10 CGCDRO C[N@@H+](Cc1c(O)ccc(F)c1Cl)C[C@@H]1CCCCO1 ZINC001237127076 819673608 /nfs/dbraw/zinc/67/36/08/819673608.db2.gz UEJBSRXJTNBCDS-JTQLQIEISA-N 1 0 287.762 3.186 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCOC[C@H]1Cc1ccccc1 ZINC001237493751 819763692 /nfs/dbraw/zinc/76/36/92/819763692.db2.gz DDXNIHCJEMZMFC-QGZVFWFLSA-N 1 0 297.398 3.144 20 10 CGCDRO CC[NH+](CC)CCN(C)Cc1cc(Cl)cc(C)c1O ZINC001237681047 819806656 /nfs/dbraw/zinc/80/66/56/819806656.db2.gz KNWDLDAIGPHHOT-UHFFFAOYSA-N 1 0 284.831 3.128 20 10 CGCDRO COc1cc(C[NH+]2CCCCCCC2)c(O)c(OC)c1 ZINC001237679177 819806864 /nfs/dbraw/zinc/80/68/64/819806864.db2.gz UCXBTNLQAQMDAJ-UHFFFAOYSA-N 1 0 279.380 3.176 20 10 CGCDRO Cc1cc(Cl)cc(C[N@H+]2C[C@H](F)C[C@H]2C)c1O ZINC001237680666 819807284 /nfs/dbraw/zinc/80/72/84/819807284.db2.gz GRNUSKVXPODFKL-BXKDBHETSA-N 1 0 257.736 3.286 20 10 CGCDRO COc1cc(C[N@@H+]2CC[C@H]2c2ccccc2)c(O)c(OC)c1 ZINC001237679470 819807505 /nfs/dbraw/zinc/80/75/05/819807505.db2.gz VNPBFMRPPXOZAA-INIZCTEOSA-N 1 0 299.370 3.356 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H]2CCS[C@@H](C)C2)c1O ZINC001343287461 936493989 /nfs/dbraw/zinc/49/39/89/936493989.db2.gz RQACKQMHWQEQRO-WCQYABFASA-N 1 0 251.395 3.074 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCC[C@H](F)C1)c1cc(F)ccc1O ZINC001349313093 936946326 /nfs/dbraw/zinc/94/63/26/936946326.db2.gz CSOCVYVSIBNJAP-JBLDHEPKSA-N 1 0 255.308 3.463 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]C1CC3(CC3(F)F)C1)CC2 ZINC001350159774 936981434 /nfs/dbraw/zinc/98/14/34/936981434.db2.gz MZKIAODLDJZRQL-IQLKVPPVSA-N 1 0 265.303 3.157 20 10 CGCDRO COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccc(C)c(C)c2O)C1 ZINC001350637022 936997631 /nfs/dbraw/zinc/99/76/31/936997631.db2.gz VVPMWDVWJOCPMT-MJBXVCDLSA-N 1 0 291.391 3.001 20 10 CGCDRO COc1ccc(C[NH2+]CCCCCSC)c(O)c1OC ZINC001352016665 937032055 /nfs/dbraw/zinc/03/20/55/937032055.db2.gz OWTCZZWMCOKUNC-UHFFFAOYSA-N 1 0 299.436 3.032 20 10 CGCDRO CCc1noc(C)c1C[NH2+]Cc1ccc(Cl)cc1O ZINC001474538593 937206081 /nfs/dbraw/zinc/20/60/81/937206081.db2.gz WTCAXPXHQMEINY-UHFFFAOYSA-N 1 0 280.755 3.194 20 10 CGCDRO CC(C)[C@@H]1C[C@H]1[NH2+]Cc1ccc(Br)cc1O ZINC001308986425 928556763 /nfs/dbraw/zinc/55/67/63/928556763.db2.gz FCAZUHNQLKXKSW-NWDGAFQWSA-N 1 0 284.197 3.289 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H]2CCC[C@@H](F)C2)c1O ZINC001329497975 932004135 /nfs/dbraw/zinc/00/41/35/932004135.db2.gz BNZWMDNFVSXWFS-CHWSQXEVSA-N 1 0 267.344 3.161 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@@H](CO)CC2CCC2)cc1C ZINC001461531597 937585039 /nfs/dbraw/zinc/58/50/39/937585039.db2.gz LCITZUUYGHFEAQ-QGZVFWFLSA-N 1 0 291.435 3.425 20 10 CGCDRO C[C@](CO)([NH2+]Cc1ccc(Cl)cc1O)c1ccccc1 ZINC001462108823 937618275 /nfs/dbraw/zinc/61/82/75/937618275.db2.gz BUFCDOXIAYYMCS-MRXNPFEDSA-N 1 0 291.778 3.043 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCOCC23CCCCC3)c1O ZINC001462237845 937627082 /nfs/dbraw/zinc/62/70/82/937627082.db2.gz PKBPGOFRZCRTFT-UHFFFAOYSA-N 1 0 289.419 3.490 20 10 CGCDRO CC[C@@H](C)[NH+]1CCN(Cc2cc(C(C)C)ccc2O)CC1 ZINC001462253117 937627491 /nfs/dbraw/zinc/62/74/91/937627491.db2.gz XRQKCRLSBVEEIP-OAHLLOKOSA-N 1 0 290.451 3.432 20 10 CGCDRO CN(C)c1cc(F)c(C[NH2+][C@H]2C=CCCC2)cc1F ZINC001334889903 932772095 /nfs/dbraw/zinc/77/20/95/932772095.db2.gz AKPGXWBFEXYMNN-LBPRGKRZSA-N 1 0 266.335 3.229 20 10 CGCDRO CCC1(C)C[NH+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC001462335952 937633071 /nfs/dbraw/zinc/63/30/71/937633071.db2.gz SYEKFTPKDHFLLJ-SREVYHEPSA-N 1 0 258.409 3.498 20 10 CGCDRO CCOC1CC([NH2+][C@@H](C)Cc2ccc(N(C)C)cc2C)C1 ZINC001462354620 937635264 /nfs/dbraw/zinc/63/52/64/937635264.db2.gz IPZSZKVJUKIPDB-NXVRBGIVSA-N 1 0 290.451 3.149 20 10 CGCDRO C[C@@H]1CC2(C[N@@H+]1Cc1ccc(Cl)cc1O)CCOCC2 ZINC001462370307 937636368 /nfs/dbraw/zinc/63/63/68/937636368.db2.gz YGAPWUBDGIOTDM-GFCCVEGCSA-N 1 0 295.810 3.437 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@@H](C)Cn2cccn2)cc1C ZINC001308196067 933070325 /nfs/dbraw/zinc/07/03/25/933070325.db2.gz ASFKDHLTLNUZOS-HNNXBMFYSA-N 1 0 287.407 3.159 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@@H]2CCCC(C)(C)O2)c1O ZINC001462634549 937655657 /nfs/dbraw/zinc/65/56/57/937655657.db2.gz LIPKEZNPUOWGIJ-HNNXBMFYSA-N 1 0 277.408 3.392 20 10 CGCDRO c1ccc(C[C@@H]2C[C@@H]2[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC001308275047 933086416 /nfs/dbraw/zinc/08/64/16/933086416.db2.gz XPQIAIBSEZSYHG-MSOLQXFVSA-N 1 0 279.383 3.342 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@]2(C)CC=CCC2)cc1F ZINC001308433918 933110402 /nfs/dbraw/zinc/11/04/02/933110402.db2.gz OEZVUPJYCVUUDP-MRXNPFEDSA-N 1 0 262.372 3.480 20 10 CGCDRO COc1cc(C)c(C[N@H+](C)Cc2cnc(C)s2)c(O)c1 ZINC001308592858 933137794 /nfs/dbraw/zinc/13/77/94/933137794.db2.gz NJFYISPLWHGQDY-UHFFFAOYSA-N 1 0 292.404 3.106 20 10 CGCDRO CC[C@@H]1C[N@H+](C/C=C/c2ccc(N(C)C)cc2)C[C@H](C)O1 ZINC001308632433 933146140 /nfs/dbraw/zinc/14/61/40/933146140.db2.gz ZXMYIPPQXYPVFL-XDWWLABZSA-N 1 0 288.435 3.265 20 10 CGCDRO CCCN(CC)C[C@@H](C)[NH2+]Cc1cccc(CC)c1O ZINC001308792971 933178222 /nfs/dbraw/zinc/17/82/22/933178222.db2.gz OGIHOTJPUXNDSM-CQSZACIVSA-N 1 0 278.440 3.165 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+][C@H]2CCS[C@@H]2C)c1 ZINC001308848264 933188932 /nfs/dbraw/zinc/18/89/32/933188932.db2.gz HHKQCDLGOZWUNG-RISCZKNCSA-N 1 0 265.422 3.499 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+][C@H]2COC[C@@H]2C2CC2)c1 ZINC001308975847 933219167 /nfs/dbraw/zinc/21/91/67/933219167.db2.gz ZFPFEQKERPMIQG-CVEARBPZSA-N 1 0 275.392 3.030 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001319681865 933913480 /nfs/dbraw/zinc/91/34/80/933913480.db2.gz LBFFJWUMDQQEDM-UONOGXRCSA-N 1 0 275.392 3.413 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)CC(=O)OC(C)(C)C)c(O)c1 ZINC001320253496 934021879 /nfs/dbraw/zinc/02/18/79/934021879.db2.gz WVVGXIAFXRTTEC-CHWSQXEVSA-N 1 0 293.407 3.472 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CCC[C@H]1CCO ZINC001324228291 934474089 /nfs/dbraw/zinc/47/40/89/934474089.db2.gz QIWUHAXLEVGGPA-QPSCCSFWSA-N 1 0 289.419 3.390 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC001325290107 934901682 /nfs/dbraw/zinc/90/16/82/934901682.db2.gz SQLKXNZFDRCSGJ-SJLPKXTDSA-N 1 0 288.435 3.062 20 10 CGCDRO C[C@H]1CCC[C@@H](C[NH2+]Cc2ccc(N3CCCC3)cc2)O1 ZINC001327254346 935048871 /nfs/dbraw/zinc/04/88/71/935048871.db2.gz LGPRVFSVWXGBFY-YJBOKZPZSA-N 1 0 288.435 3.334 20 10 CGCDRO Cc1cc(N)cc(C[NH2+]Cc2ccc(N3CCCC3)cc2)c1 ZINC001327415746 935057918 /nfs/dbraw/zinc/05/79/18/935057918.db2.gz MTROXXMCDOEAOV-UHFFFAOYSA-N 1 0 295.430 3.467 20 10 CGCDRO CCn1nccc1C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC001328491008 935143236 /nfs/dbraw/zinc/14/32/36/935143236.db2.gz GTOBIVOGEANJQQ-OCCSQVGLSA-N 1 0 285.391 3.255 20 10 CGCDRO CCOc1ccc(C[NH2+]C2CC3(CC3(F)F)C2)c(O)c1 ZINC001330207079 935277064 /nfs/dbraw/zinc/27/70/64/935277064.db2.gz NJWCZTXGLGZVJA-UHFFFAOYSA-N 1 0 283.318 3.068 20 10 CGCDRO COc1cc(C)cc(C[NH2+]CC2(OC)CCCCC2)c1O ZINC001333704817 936057259 /nfs/dbraw/zinc/05/72/59/936057259.db2.gz CCYSALWBDIMVSL-UHFFFAOYSA-N 1 0 293.407 3.148 20 10 CGCDRO C[N@@H+](Cc1ccc(N2CCCC2)cc1)CC1=CCCOC1 ZINC001333838872 936069926 /nfs/dbraw/zinc/06/99/26/936069926.db2.gz XQFVNBBOFFSBIB-UHFFFAOYSA-N 1 0 286.419 3.065 20 10 CGCDRO Cc1ncc(C[NH2+]Cc2ccc3c(c2)CCCO3)s1 ZINC001334313168 936096425 /nfs/dbraw/zinc/09/64/25/936096425.db2.gz GNGGRQJNZYAQPT-UHFFFAOYSA-N 1 0 274.389 3.066 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@@H]2CCC[C@H](F)C2)c1O ZINC001334375497 936100925 /nfs/dbraw/zinc/10/09/25/936100925.db2.gz RPDGWQHKYIRORB-QWHCGFSZSA-N 1 0 267.344 3.080 20 10 CGCDRO CC(C)c1ccc([C@@H](N)C[NH2+]Cc2ccc(N)cc2)cc1 ZINC001336286549 936186019 /nfs/dbraw/zinc/18/60/19/936186019.db2.gz RYMUVNQARXAGJU-SFHVURJKSA-N 1 0 283.419 3.182 20 10 CGCDRO COc1ccccc1[C@@H]1CC[N@H+](Cc2ccc(N)cc2)C1 ZINC001336285008 936186316 /nfs/dbraw/zinc/18/63/16/936186316.db2.gz GFDLCMMBXUUGHD-OAHLLOKOSA-N 1 0 282.387 3.267 20 10 CGCDRO Nc1ccc(C[NH2+][C@H]2CCc3c2cccc3F)cc1 ZINC001337837563 936293705 /nfs/dbraw/zinc/29/37/05/936293705.db2.gz CLRDGGIIFMGIJE-INIZCTEOSA-N 1 0 256.324 3.185 20 10 CGCDRO Nc1ccc(C[N@@H+]2CCCC[C@H](C3CCOCC3)C2)cc1 ZINC001337838760 936293906 /nfs/dbraw/zinc/29/39/06/936293906.db2.gz SOZQPIHJBDFPMK-KRWDZBQOSA-N 1 0 288.435 3.298 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCOC23CCCCC3)cc1 ZINC001473856959 937824932 /nfs/dbraw/zinc/82/49/32/937824932.db2.gz YIZMKLRUVJQTBH-KRWDZBQOSA-N 1 0 288.435 3.334 20 10 CGCDRO Fc1ccc(CC[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC001473912475 937829376 /nfs/dbraw/zinc/82/93/76/937829376.db2.gz OXOUHXTVIDXJHL-UHFFFAOYSA-N 1 0 285.362 3.483 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@@H]2C[C@@H](O)C2(C)C)cc1C ZINC001474119637 937841004 /nfs/dbraw/zinc/84/10/04/937841004.db2.gz KSRNSAWGUSAQBC-HZPDHXFCSA-N 1 0 277.408 3.033 20 10 CGCDRO CC(C)c1ccc(O)c(C[N@@H+]2C[C@H](C)N(C)C[C@H]2C)c1 ZINC001474463642 937861472 /nfs/dbraw/zinc/86/14/72/937861472.db2.gz TVUQJKMMJKDSJS-UONOGXRCSA-N 1 0 276.424 3.040 20 10 CGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@H]1C[C@H](C)n2ccnc21 ZINC001474494985 937863483 /nfs/dbraw/zinc/86/34/83/937863483.db2.gz HZGHPOFGYPAKJA-BBRMVZONSA-N 1 0 284.407 3.264 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]C[C@H]1C[C@@H]1Cc1ccccc1 ZINC001474750885 937878687 /nfs/dbraw/zinc/87/86/87/937878687.db2.gz BIOANRMVXKEGAC-LSDHHAIUSA-N 1 0 285.362 3.500 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@H](O)C2CCCCC2)c(Cl)c1 ZINC001560308062 938252005 /nfs/dbraw/zinc/25/20/05/938252005.db2.gz XZJJRGBFOQZDKF-INIZCTEOSA-N 1 0 297.826 3.385 20 10 CGCDRO COc1ccc(C[NH2+]CCNc2ccccc2)cc1C ZINC001560365227 938255480 /nfs/dbraw/zinc/25/54/80/938255480.db2.gz QAOUNTNFENYXLH-UHFFFAOYSA-N 1 0 270.376 3.205 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@H](C)[C@H]2C)c1O ZINC001560629381 938266833 /nfs/dbraw/zinc/26/68/33/938266833.db2.gz NYUCSORSZXJVAN-QWHCGFSZSA-N 1 0 263.381 3.330 20 10 CGCDRO Cc1cc(O)c(CN(C)[C@H]2CC[N@@H+](C(C)C)C2)c(Cl)c1 ZINC001560882998 938281576 /nfs/dbraw/zinc/28/15/76/938281576.db2.gz GMBLQWJLLWLCMG-ZDUSSCGKSA-N 1 0 296.842 3.269 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H]2CCOCC23CCCC3)c(O)c1 ZINC001561050954 938291757 /nfs/dbraw/zinc/29/17/57/938291757.db2.gz LMHCPAQXYSLKED-MRXNPFEDSA-N 1 0 275.392 3.140 20 10 CGCDRO CCC(CC)[C@@H](CC[NH2+]Cc1ccc(N)cc1)OC ZINC001577068067 960478258 /nfs/dbraw/zinc/47/82/58/960478258.db2.gz ABGMVTBXIKDEAB-MRXNPFEDSA-N 1 0 264.413 3.200 20 10 CGCDRO CCc1ccc(N(CC2CC2)C(=O)C2=CC[C@@H]([NH3+])C2)cc1 ZINC001578260890 962582315 /nfs/dbraw/zinc/58/23/15/962582315.db2.gz GOUDKDSXOUBKEE-MRXNPFEDSA-N 1 0 284.403 3.040 20 10 CGCDRO Cc1ccc(C[NH2+][C@H]2CCc3cc(N)ccc32)c(O)c1 ZINC001579697065 962658053 /nfs/dbraw/zinc/65/80/53/962658053.db2.gz VJPYZUAUIYEGHD-INIZCTEOSA-N 1 0 268.360 3.060 20 10 CGCDRO Nc1ccc(C[NH2+][C@@H]2COc3ccc(Cl)cc32)cc1 ZINC001580445549 962723384 /nfs/dbraw/zinc/72/33/84/962723384.db2.gz JTKOJEQONIQTET-CQSZACIVSA-N 1 0 274.751 3.146 20 10 CGCDRO CCCC[C@H](COC)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297818105 282962245 /nfs/dbraw/zinc/96/22/45/282962245.db2.gz RFUFQKQKPYBMIN-ZIAGYGMSSA-N 1 0 263.381 3.174 20 10 CGCDRO C[NH+](C)Cc1c(O)ccc2cc(Br)ccc21 ZINC000034256630 344938467 /nfs/dbraw/zinc/93/84/67/344938467.db2.gz JRQKKRXRHKBRKE-UHFFFAOYSA-N 1 0 280.165 3.370 20 10 CGCDRO CCC[N@H+](Cc1cc(C)no1)Cc1ccccc1O ZINC000075829167 345524321 /nfs/dbraw/zinc/52/43/21/345524321.db2.gz TVUKQOXQCYKGME-UHFFFAOYSA-N 1 0 260.337 3.101 20 10 CGCDRO C[C@@H](O)CC[N@H+](C)Cc1cc(-c2ccccc2)ccc1O ZINC000093481362 345880204 /nfs/dbraw/zinc/88/02/04/345880204.db2.gz XUBCBJXFDJEULC-CQSZACIVSA-N 1 0 285.387 3.262 20 10 CGCDRO CC[C@@H](COC)[NH2+][C@@H](CC)c1ccc(C)cc1O ZINC000280149293 522595218 /nfs/dbraw/zinc/59/52/18/522595218.db2.gz QCTHDWBNZIEEIC-JSGCOSHPSA-N 1 0 251.370 3.166 20 10 CGCDRO CC[C@@H]1C[C@H]1C[NH2+]Cc1ccc(Br)cc1O ZINC000691502521 799785253 /nfs/dbraw/zinc/78/52/53/799785253.db2.gz UTNLBIVSZCLEJH-KOLCDFICSA-N 1 0 284.197 3.290 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@H](C)c2ccccc2OC)c1 ZINC000020097084 368802081 /nfs/dbraw/zinc/80/20/81/368802081.db2.gz BTKSRDMBFNTPNI-GFCCVEGCSA-N 1 0 287.359 3.260 20 10 CGCDRO CN(C)c1ccc(C[NH2+]Cc2cccc(F)c2)cc1 ZINC000020146002 368805063 /nfs/dbraw/zinc/80/50/63/368805063.db2.gz JEMAJGPPXRNZHA-UHFFFAOYSA-N 1 0 258.340 3.182 20 10 CGCDRO CC[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000034840204 368979204 /nfs/dbraw/zinc/97/92/04/368979204.db2.gz COAHJEGCRZMELN-GFCCVEGCSA-N 1 0 250.361 3.487 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)[C@H](O)c1ccccc1 ZINC000297224997 299395788 /nfs/dbraw/zinc/39/57/88/299395788.db2.gz HLRKQFIHZXINMS-PNPHSEOMSA-N 1 0 283.371 3.091 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)c1cc(OC)ccc1O)C(C)C ZINC000042584945 369225868 /nfs/dbraw/zinc/22/58/68/369225868.db2.gz FIKSXSHUHWXEEH-RISCZKNCSA-N 1 0 251.370 3.486 20 10 CGCDRO Cc1cccc([C@@H](O)C[NH2+]Cc2c(O)cccc2Cl)c1 ZINC000136474703 371477802 /nfs/dbraw/zinc/47/78/02/371477802.db2.gz CELHMGYFADAPQX-INIZCTEOSA-N 1 0 291.778 3.177 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H]2CCOC3(CCCC3)C2)c1 ZINC000136709638 371481934 /nfs/dbraw/zinc/48/19/34/371481934.db2.gz RMEJJDFBGFEDEM-HNNXBMFYSA-N 1 0 275.392 3.282 20 10 CGCDRO C[C@@H](CCOCc1ccccc1)[NH2+]Cc1ccccc1O ZINC000288461059 371736932 /nfs/dbraw/zinc/73/69/32/371736932.db2.gz NYIKXEPKWBVPDZ-HNNXBMFYSA-N 1 0 285.387 3.477 20 10 CGCDRO CC[C@H]([NH2+]C[C@H]1CCOC[C@@H]1C)c1ccccc1O ZINC000287621524 371683241 /nfs/dbraw/zinc/68/32/41/371683241.db2.gz SZGMCFUYZVCBCH-GUTXKFCHSA-N 1 0 263.381 3.106 20 10 CGCDRO C[C@H](CO)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000293623007 372426715 /nfs/dbraw/zinc/42/67/15/372426715.db2.gz HCQUCGHUNJNZSE-YJBOKZPZSA-N 1 0 299.414 3.284 20 10 CGCDRO COCC1(CC[NH2+][C@@H](C)c2cc(OC)ccc2O)CCC1 ZINC000293709864 372457631 /nfs/dbraw/zinc/45/76/31/372457631.db2.gz MRNOPYFKEDAALK-ZDUSSCGKSA-N 1 0 293.407 3.258 20 10 CGCDRO CO[C@@H](C[NH2+][C@@H](C)c1ccc(C)c(C)c1O)C1CC1 ZINC000293747619 372467654 /nfs/dbraw/zinc/46/76/54/372467654.db2.gz QAFGVDKKGRKIQU-WFASDCNBSA-N 1 0 263.381 3.085 20 10 CGCDRO Cc1nnc(CC[NH2+][C@H](C)c2c(C)cc(C)cc2O)s1 ZINC000293966207 372540116 /nfs/dbraw/zinc/54/01/16/372540116.db2.gz AMFGNFLOZYHMLJ-LLVKDONJSA-N 1 0 291.420 3.062 20 10 CGCDRO Cc1c([C@@H](C)[NH2+]Cc2cc(Cl)c(F)cc2[O-])cnn1C ZINC000294135910 372591914 /nfs/dbraw/zinc/59/19/14/372591914.db2.gz HEZGIHRFKHIMFH-MRVPVSSYSA-N 1 0 297.761 3.077 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(C)(C)SC)c1 ZINC000168813533 372621363 /nfs/dbraw/zinc/62/13/63/372621363.db2.gz XKAUARPMGOZRKS-SNVBAGLBSA-N 1 0 269.410 3.193 20 10 CGCDRO COc1cccc(C[NH2+]Cc2csc(C)c2)c1O ZINC000294325067 372649786 /nfs/dbraw/zinc/64/97/86/372649786.db2.gz XDNKQDYCVOHWLD-UHFFFAOYSA-N 1 0 263.362 3.061 20 10 CGCDRO Cc1ccc(C[NH2+][C@H]2CCc3cccc(O)c32)cc1 ZINC000295790043 372911358 /nfs/dbraw/zinc/91/13/58/372911358.db2.gz BKHHHRODGAAVMT-HNNXBMFYSA-N 1 0 253.345 3.478 20 10 CGCDRO COCc1cccc(C[NH2+][C@@H]2CCc3cccc(O)c32)c1 ZINC000295875192 372943432 /nfs/dbraw/zinc/94/34/32/372943432.db2.gz HJGKXHSUOJWAKU-MRXNPFEDSA-N 1 0 283.371 3.316 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H](C)CC(C)(C)O)cc1 ZINC000296265209 373072858 /nfs/dbraw/zinc/07/28/58/373072858.db2.gz DKIMOEDZPZPRTQ-KGLIPLIRSA-N 1 0 278.440 3.343 20 10 CGCDRO Cc1ncsc1CC[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000296602303 373190866 /nfs/dbraw/zinc/19/08/66/373190866.db2.gz VRDBJPGQTSNAGZ-VIFPVBQESA-N 1 0 280.368 3.190 20 10 CGCDRO CCc1nc(CC[NH2+][C@H]2CCc3cccc(O)c32)cs1 ZINC000297622656 373277432 /nfs/dbraw/zinc/27/74/32/373277432.db2.gz IZLVXWOSZIEJLD-ZDUSSCGKSA-N 1 0 288.416 3.231 20 10 CGCDRO CCCc1nc(C)c(C[NH2+][C@H]2CCc3cccc(O)c32)o1 ZINC000297225308 373261970 /nfs/dbraw/zinc/26/19/70/373261970.db2.gz HNEYKBAYHIINSJ-ZDUSSCGKSA-N 1 0 286.375 3.418 20 10 CGCDRO CC(C)(C[NH2+][C@@H]1CCc2cccc(O)c21)c1ccccn1 ZINC000297304817 373264852 /nfs/dbraw/zinc/26/48/52/373264852.db2.gz MMKASMMSLAWAFC-CQSZACIVSA-N 1 0 282.387 3.342 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]CCc1ccc3c(c1)CCO3)CC2 ZINC000297674532 373279344 /nfs/dbraw/zinc/27/93/44/373279344.db2.gz LFJCGLXOUPZMID-MRXNPFEDSA-N 1 0 295.382 3.147 20 10 CGCDRO Cc1cc(C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)on1 ZINC000298720650 373390313 /nfs/dbraw/zinc/39/03/13/373390313.db2.gz ORSYBWZZRLWGSL-UHFFFAOYSA-N 1 0 287.407 3.460 20 10 CGCDRO CC(C)n1cc(C[N@H+](C)Cc2ccc(N(C)C)cc2)cn1 ZINC000178864770 373812045 /nfs/dbraw/zinc/81/20/45/373812045.db2.gz SQXYBIPAPPVVCY-UHFFFAOYSA-N 1 0 286.423 3.162 20 10 CGCDRO CC(C)=CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000181264031 374101125 /nfs/dbraw/zinc/10/11/25/374101125.db2.gz POQLJPFMLKUAGP-HNNXBMFYSA-N 1 0 274.408 3.140 20 10 CGCDRO CCOc1cccc(C[N@H+](C)[C@H](C)c2ccccn2)c1O ZINC000182063592 374212630 /nfs/dbraw/zinc/21/26/30/374212630.db2.gz CLUQLHCONLDCJL-CYBMUJFWSA-N 1 0 286.375 3.379 20 10 CGCDRO COc1ccc(CC[NH2+][C@@H](C)c2ccccc2O)cc1F ZINC000183488256 374419934 /nfs/dbraw/zinc/41/99/34/374419934.db2.gz GUNQFFXSXPEDJE-LBPRGKRZSA-N 1 0 289.350 3.433 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H](CCO)c1ccccc1)c1ccccc1O ZINC000183525475 374425030 /nfs/dbraw/zinc/42/50/30/374425030.db2.gz UUUNCKBOHOFDPQ-GDBMZVCRSA-N 1 0 285.387 3.209 20 10 CGCDRO CCOc1cccc(C[N@H+](C)[C@@H](C)c2ccncc2)c1O ZINC000183710840 374444820 /nfs/dbraw/zinc/44/48/20/374444820.db2.gz XRCLKRKSKOVNRW-ZDUSSCGKSA-N 1 0 286.375 3.379 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1CCCO1)c1cc2c(cc1O)CCCC2 ZINC000184851122 374565170 /nfs/dbraw/zinc/56/51/70/374565170.db2.gz HYBHJIHQTZCFCC-WFASDCNBSA-N 1 0 275.392 3.101 20 10 CGCDRO C[C@@H]([NH2+]CCc1ccccc1O)c1cc(F)ccc1O ZINC000185303369 374633036 /nfs/dbraw/zinc/63/30/36/374633036.db2.gz HBDWUBNUCNRNOO-LLVKDONJSA-N 1 0 275.323 3.130 20 10 CGCDRO CCOC[C@@H]([NH2+][C@@H](C)c1ccccc1O)C(C)C ZINC000189356341 375373915 /nfs/dbraw/zinc/37/39/15/375373915.db2.gz KMRDXXYZVSXLSK-GXTWGEPZSA-N 1 0 251.370 3.104 20 10 CGCDRO CO[C@@H](C)[C@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000191639641 375645838 /nfs/dbraw/zinc/64/58/38/375645838.db2.gz YKNQRFZRIZNLFQ-GUBZILKMSA-N 1 0 257.761 3.120 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](C)[C@H](C)OC)c1ccc(N(C)C)cc1 ZINC000191641248 375646098 /nfs/dbraw/zinc/64/60/98/375646098.db2.gz ADTXNLHCMZMTBS-HEHGZKQESA-N 1 0 264.413 3.217 20 10 CGCDRO C[C@H](O)[C@@](C)(C[NH2+]Cc1ccccc1O)Cc1ccccc1 ZINC000191718308 375655791 /nfs/dbraw/zinc/65/57/91/375655791.db2.gz NWZXTLAGVWALDU-HNAYVOBHSA-N 1 0 299.414 3.112 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)C2CC(F)(F)C2)c1 ZINC000529568773 375928677 /nfs/dbraw/zinc/92/86/77/375928677.db2.gz GQGKHNANIXCWIX-VHSXEESVSA-N 1 0 285.334 3.485 20 10 CGCDRO CS[C@H]1CCC[C@@H]([NH2+]Cc2cccc(C)c2O)C1 ZINC000224818575 376288752 /nfs/dbraw/zinc/28/87/52/376288752.db2.gz NRNOVQWAOLERID-KGLIPLIRSA-N 1 0 265.422 3.464 20 10 CGCDRO C[C@H](CCCO)[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000269001977 378171518 /nfs/dbraw/zinc/17/15/18/378171518.db2.gz JUAIPMYIOGRDIF-HZPDHXFCSA-N 1 0 290.451 3.489 20 10 CGCDRO C[C@H](O)C(C)(C)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000270731706 378395377 /nfs/dbraw/zinc/39/53/77/378395377.db2.gz RFFVCBLLRAVLMK-ZDUSSCGKSA-N 1 0 285.387 3.308 20 10 CGCDRO CC(C)(C)[C@H]1C[C@@H]([NH2+]Cc2ccccc2O)CCO1 ZINC000270649398 378381204 /nfs/dbraw/zinc/38/12/04/378381204.db2.gz LMEHVCSDFFPJLZ-DZGCQCFKSA-N 1 0 263.381 3.076 20 10 CGCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)CC1=CCCOC1 ZINC000271064486 378444934 /nfs/dbraw/zinc/44/49/34/378444934.db2.gz IPNOKVGCISFWSL-UHFFFAOYSA-N 1 0 288.435 3.310 20 10 CGCDRO Cc1cc(O)c(C[N@H+](CCO)Cc2ccccc2)cc1C ZINC000270988481 378423226 /nfs/dbraw/zinc/42/32/26/378423226.db2.gz GZTDRYQNOTZKOX-UHFFFAOYSA-N 1 0 285.387 3.004 20 10 CGCDRO COc1ncc(C[NH2+][C@@H](C)c2ccccc2O)cc1Cl ZINC000271644231 378499128 /nfs/dbraw/zinc/49/91/28/378499128.db2.gz HURJWUSMRQFQNB-JTQLQIEISA-N 1 0 292.766 3.300 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cn2ccsc2n1)c1ccccc1O ZINC000271654986 378500374 /nfs/dbraw/zinc/50/03/74/378500374.db2.gz BXHNXSHJDLHRNE-CYBMUJFWSA-N 1 0 287.388 3.342 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H](O)c1ccccc1F)c1ccccc1O ZINC000271657363 378501292 /nfs/dbraw/zinc/50/12/92/378501292.db2.gz CONMPQFKBQPUFB-NVXWUHKLSA-N 1 0 289.350 3.306 20 10 CGCDRO Cc1cccc(C[N@H+](CCO)[C@H]2CCc3ccccc32)c1O ZINC000271873370 378510351 /nfs/dbraw/zinc/51/03/51/378510351.db2.gz SQBZZBQVSBZCFT-SFHVURJKSA-N 1 0 297.398 3.182 20 10 CGCDRO C[C@@H]([NH2+]CC[C@H]1CCO[C@H](C)C1)c1ccccc1O ZINC000273175093 378737068 /nfs/dbraw/zinc/73/70/68/378737068.db2.gz CSWUVAHHECQXFX-MCIONIFRSA-N 1 0 263.381 3.248 20 10 CGCDRO C[C@H]([NH2+]C[C@H](O)CCc1ccccc1)c1ccccc1O ZINC000273193055 378737592 /nfs/dbraw/zinc/73/75/92/378737592.db2.gz HHDYOSPPWUVXNT-GOEBONIOSA-N 1 0 285.387 3.037 20 10 CGCDRO C[C@@H]([NH2+]CC(C)(C)N(C)C)c1cc(Cl)ccc1O ZINC000273376056 378743140 /nfs/dbraw/zinc/74/31/40/378743140.db2.gz HGZNAFNHBJCSAE-SNVBAGLBSA-N 1 0 270.804 3.036 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(N(C)C)nc2)c1 ZINC000273438502 378745049 /nfs/dbraw/zinc/74/50/49/378745049.db2.gz XUDHBPJYNRKDDQ-ZDUSSCGKSA-N 1 0 285.391 3.012 20 10 CGCDRO Cc1n[nH]cc1C[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000273470727 378747696 /nfs/dbraw/zinc/74/76/96/378747696.db2.gz JOWSXFJHFPZPJL-GFCCVEGCSA-N 1 0 285.391 3.153 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)[C@H]2CCCCO2)c1 ZINC000273508849 378749951 /nfs/dbraw/zinc/74/99/51/378749951.db2.gz RLOFLLDEQAATGU-HWWQOWPSSA-N 1 0 279.380 3.009 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2COC3(CCCC3)O2)c(O)c1 ZINC000273531986 378752865 /nfs/dbraw/zinc/75/28/65/378752865.db2.gz WMGHFZBIEYIGBW-ZIAGYGMSSA-N 1 0 291.391 3.037 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCc2c1cccc2O)c1ccccc1O ZINC000272842016 378711133 /nfs/dbraw/zinc/71/11/33/378711133.db2.gz JUTVSIGBAUOKLE-XHDPSFHLSA-N 1 0 269.344 3.436 20 10 CGCDRO C[C@H]([NH2+]CCCc1nccs1)c1ccccc1O ZINC000272930339 378725115 /nfs/dbraw/zinc/72/51/15/378725115.db2.gz ZOYDJJGFMSQPPL-NSHDSACASA-N 1 0 262.378 3.132 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@]23CCOC3)c1O ZINC000375311325 379490757 /nfs/dbraw/zinc/49/07/57/379490757.db2.gz UGFFXLOKHSISMX-HNNXBMFYSA-N 1 0 281.783 3.109 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C[C@H]2CCCC(F)(F)C2)c1 ZINC000282598974 379951779 /nfs/dbraw/zinc/95/17/79/379951779.db2.gz WEMKDRXJCUEYJS-NSHDSACASA-N 1 0 285.334 3.316 20 10 CGCDRO COCC1(C[NH2+][C@H](C)c2ccc(C)c(C)c2O)CCC1 ZINC000282959425 380016774 /nfs/dbraw/zinc/01/67/74/380016774.db2.gz ZNZSRYASVOBVPN-CQSZACIVSA-N 1 0 277.408 3.476 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]C[C@@H](O)c2cc(C)cc(C)c2)c1 ZINC000282972582 380018794 /nfs/dbraw/zinc/01/87/94/380018794.db2.gz LJBRHNDAWOVGGD-GOSISDBHSA-N 1 0 285.387 3.141 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CSC2(C)C)c1O ZINC000282989431 380020582 /nfs/dbraw/zinc/02/05/82/380020582.db2.gz JXAOCWVEHIPHKC-LLVKDONJSA-N 1 0 287.812 3.038 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]CC[S@](=O)C(C)(C)C)c(O)c1 ZINC000284252848 380137231 /nfs/dbraw/zinc/13/72/31/380137231.db2.gz VUBZAEXDZZLIKT-RBZFPXEDSA-N 1 0 297.464 3.207 20 10 CGCDRO CCOCCC[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000284225989 380137342 /nfs/dbraw/zinc/13/73/42/380137342.db2.gz UIYSHUDFLYQLJH-CYBMUJFWSA-N 1 0 251.370 3.086 20 10 CGCDRO COc1cccc(C[N@@H+]2CC3(CCC3)C[C@H]2C)c1O ZINC000365440863 382287441 /nfs/dbraw/zinc/28/74/41/382287441.db2.gz DZAZKORJEHOWLV-GFCCVEGCSA-N 1 0 261.365 3.165 20 10 CGCDRO C[C@@]1(O)CCC[N@H+](Cc2c(O)ccc3ccccc32)CC1 ZINC000366252247 382303928 /nfs/dbraw/zinc/30/39/28/382303928.db2.gz XWOKLONQVBGSCQ-GOSISDBHSA-N 1 0 285.387 3.282 20 10 CGCDRO COCC[C@H]1CCCC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000368668815 285176874 /nfs/dbraw/zinc/17/68/74/285176874.db2.gz ZMQCNYLVIREYMX-CQSZACIVSA-N 1 0 293.407 3.039 20 10 CGCDRO CC(C)(C[NH2+]Cc1c(O)cccc1Cl)N1CCCCC1 ZINC000733323001 572555336 /nfs/dbraw/zinc/55/53/36/572555336.db2.gz IKSNEZVFNGQYFN-UHFFFAOYSA-N 1 0 296.842 3.400 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+](C)[C@@H](CCO)c2ccccc2)c1 ZINC000093442719 392238028 /nfs/dbraw/zinc/23/80/28/392238028.db2.gz DSTLGCBSYVIXCF-KRWDZBQOSA-N 1 0 285.387 3.256 20 10 CGCDRO CC[C@@H]([NH2+]CC1(COC)CCC1)c1ccccc1O ZINC000281943698 392260650 /nfs/dbraw/zinc/26/06/50/392260650.db2.gz BRAZYLLYTNQPDX-CQSZACIVSA-N 1 0 263.381 3.250 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCCOC1)c1ccc2ccccc2c1O ZINC000109543540 392366569 /nfs/dbraw/zinc/36/65/69/392366569.db2.gz UHOPRBXSUYQVEZ-JSGCOSHPSA-N 1 0 271.360 3.375 20 10 CGCDRO CCOCCC[NH2+][C@@H](C)c1ccc(N(C)CC)cc1 ZINC000131509399 392457012 /nfs/dbraw/zinc/45/70/12/392457012.db2.gz SALLUIMRQMJNAE-AWEZNQCLSA-N 1 0 264.413 3.220 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000133693351 392463751 /nfs/dbraw/zinc/46/37/51/392463751.db2.gz KXTIJVBEHLSGAW-OAHLLOKOSA-N 1 0 253.345 3.382 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H](O)c1cccc(F)c1)c1ccccc1O ZINC000121090855 392409388 /nfs/dbraw/zinc/40/93/88/392409388.db2.gz HOCYKLIIYUJRGP-WBVHZDCISA-N 1 0 289.350 3.306 20 10 CGCDRO C[N@@H+](Cc1ccccc1O)C[C@H]1CCOc2ccccc21 ZINC000372433782 392611971 /nfs/dbraw/zinc/61/19/71/392611971.db2.gz PHYZOFHFSHJFSR-CQSZACIVSA-N 1 0 283.371 3.390 20 10 CGCDRO Cc1nn(C)cc1[C@H](C)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000178716699 392684093 /nfs/dbraw/zinc/68/40/93/392684093.db2.gz ALUIZGYUVVLVTQ-OLZOCXBDSA-N 1 0 286.423 3.206 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000179580719 392703570 /nfs/dbraw/zinc/70/35/70/392703570.db2.gz ANSRTAGCJGKQFQ-ZFWWWQNUSA-N 1 0 263.406 3.252 20 10 CGCDRO CO[C@H](C)C[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000191207177 392824783 /nfs/dbraw/zinc/82/47/83/392824783.db2.gz QZNBFAXOAGVMCW-VXGBXAGGSA-N 1 0 259.349 3.231 20 10 CGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@H]1CCC=CO1 ZINC000193824129 392885998 /nfs/dbraw/zinc/88/59/98/392885998.db2.gz BVIDHRJVWLKKNJ-OAHLLOKOSA-N 1 0 261.365 3.297 20 10 CGCDRO CC(C)C[C@@H]1C[C@H]([NH2+]Cc2cc(F)ccc2O)CCO1 ZINC000272698274 393265505 /nfs/dbraw/zinc/26/55/05/393265505.db2.gz YFLSTLULDNSFSZ-HUUCEWRRSA-N 1 0 281.371 3.215 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000361067078 393663610 /nfs/dbraw/zinc/66/36/10/393663610.db2.gz MHMHURRSOYTOQZ-MRXNPFEDSA-N 1 0 269.344 3.046 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C(C)C)N2CCCC2)c(O)c1 ZINC000020201018 171064694 /nfs/dbraw/zinc/06/46/94/171064694.db2.gz BZZNWYGUNNAAHT-WBVHZDCISA-N 1 0 290.451 3.472 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](CC(C)C)N(C)C)c1 ZINC000020201548 171065360 /nfs/dbraw/zinc/06/53/60/171065360.db2.gz CJLFNOIDDIYNNF-KGLIPLIRSA-N 1 0 294.439 3.028 20 10 CGCDRO CC[C@@H]1CCC[N@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000037328873 173129532 /nfs/dbraw/zinc/12/95/32/173129532.db2.gz CREZWANYNBYZPR-GFCCVEGCSA-N 1 0 279.355 3.356 20 10 CGCDRO CC[C@@H]([NH2+]Cc1c(C)noc1C)c1ccccc1O ZINC000092329203 260269638 /nfs/dbraw/zinc/26/96/38/260269638.db2.gz ZSNJXXAEMFYZSJ-CQSZACIVSA-N 1 0 260.337 3.238 20 10 CGCDRO C[C@@H]([NH2+]CCc1ccccc1O)c1ccc(N(C)C)cc1 ZINC000154939897 261096242 /nfs/dbraw/zinc/09/62/42/261096242.db2.gz PXAFUVNVXNOKOC-CQSZACIVSA-N 1 0 284.403 3.352 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](O)c1cccc(C)c1)c1ccccc1O ZINC000156760593 261131741 /nfs/dbraw/zinc/13/17/41/261131741.db2.gz RBAXEUAYPUQNQN-FUHWJXTLSA-N 1 0 285.387 3.475 20 10 CGCDRO C[C@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1ccc(N(C)C)cc1 ZINC000161938349 261263904 /nfs/dbraw/zinc/26/39/04/261263904.db2.gz YEMQAFSMEWYGIL-STECZYCISA-N 1 0 288.435 3.217 20 10 CGCDRO C[C@H]([NH2+]CCN(C)c1ccccc1)c1ccccc1O ZINC000179888683 261823710 /nfs/dbraw/zinc/82/37/10/261823710.db2.gz SSZGNICMVNCLJP-AWEZNQCLSA-N 1 0 270.376 3.179 20 10 CGCDRO COCCC(C)(C)C[NH2+][C@@H](C)c1ccccc1O ZINC000183944457 262001263 /nfs/dbraw/zinc/00/12/63/262001263.db2.gz UJYNCXYZLRQIOI-LBPRGKRZSA-N 1 0 251.370 3.106 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cnc2n1CCCC2)c1ccccc1O ZINC000367436288 262011447 /nfs/dbraw/zinc/01/14/47/262011447.db2.gz FHACWCBQEIGQAZ-OAHLLOKOSA-N 1 0 285.391 3.166 20 10 CGCDRO CC[C@@H](C[NH2+][C@H](C)c1ccc(C)cc1O)N1CCCC1 ZINC000184990930 262036850 /nfs/dbraw/zinc/03/68/50/262036850.db2.gz UYHYWKZRJSNTDZ-CABCVRRESA-N 1 0 276.424 3.226 20 10 CGCDRO C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(F)cc1[O-] ZINC000185074873 262040064 /nfs/dbraw/zinc/04/00/64/262040064.db2.gz QUFZQFZKOGRQOF-GFCCVEGCSA-N 1 0 292.398 3.056 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1CCCOC1)c1cc(Cl)ccc1O ZINC000185089713 262040970 /nfs/dbraw/zinc/04/09/70/262040970.db2.gz FAFHOTCUGOJTBD-MNOVXSKESA-N 1 0 269.772 3.123 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(CO)c(F)c2)c1 ZINC000185121542 262042538 /nfs/dbraw/zinc/04/25/38/262042538.db2.gz VANQMGXZTBFBRM-GFCCVEGCSA-N 1 0 289.350 3.183 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCO[C@H](C3CC3)C2)c(O)c1 ZINC000185317442 262050760 /nfs/dbraw/zinc/05/07/60/262050760.db2.gz HYPURFQDIAWEFZ-JDFRZJQESA-N 1 0 275.392 3.309 20 10 CGCDRO Cc1nccn1C[C@@H](C)C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000185347205 262051952 /nfs/dbraw/zinc/05/19/52/262051952.db2.gz IGGXYACRGMAUJZ-RYUDHWBXSA-N 1 0 291.370 3.023 20 10 CGCDRO CC[C@@H](COC)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000185503821 262056811 /nfs/dbraw/zinc/05/68/11/262056811.db2.gz UASHGQBVIOYBOX-ONGXEEELSA-N 1 0 257.761 3.121 20 10 CGCDRO C[C@@H](O)C[C@@H](C)C[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000185520946 262058550 /nfs/dbraw/zinc/05/85/50/262058550.db2.gz FRQQFKSRFPOQJT-MXWKQRLJSA-N 1 0 271.788 3.103 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](CCO)CC(C)C)c(O)c1 ZINC000185615239 262062603 /nfs/dbraw/zinc/06/26/03/262062603.db2.gz PPPWXLRVGXVKGG-GJZGRUSLSA-N 1 0 279.424 3.396 20 10 CGCDRO CO[C@@H](C[NH2+][C@H](C)c1cc(F)ccc1O)C(C)(C)C ZINC000185618033 262062831 /nfs/dbraw/zinc/06/28/31/262062831.db2.gz PCZLSCFWZFFQTR-YGRLFVJLSA-N 1 0 269.360 3.243 20 10 CGCDRO CSC1(C[NH2+][C@H](C)c2ccc(C)cc2O)CCOCC1 ZINC000186081197 262078216 /nfs/dbraw/zinc/07/82/16/262078216.db2.gz HKFMFIPCUILTTD-CYBMUJFWSA-N 1 0 295.448 3.263 20 10 CGCDRO CC[C@H]([NH2+]Cc1cccc(CO)c1)c1ccccc1O ZINC000185210645 262301824 /nfs/dbraw/zinc/30/18/24/262301824.db2.gz FRSSEEWEXRFNAH-INIZCTEOSA-N 1 0 271.360 3.125 20 10 CGCDRO C[C@@H]([NH2+]CC[C@H]1CCCCO1)c1cc(F)ccc1O ZINC000186516155 262316173 /nfs/dbraw/zinc/31/61/73/262316173.db2.gz JSWYROUATFGDMQ-DGCLKSJQSA-N 1 0 267.344 3.141 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CCOC(C)(C)C1)c1ccc(N(C)C)cc1 ZINC000159941781 262447282 /nfs/dbraw/zinc/44/72/82/262447282.db2.gz HKICMCRQPRGPDD-HIFRSBDPSA-N 1 0 276.424 3.361 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CC[C@@H]2CCO[C@H](C)C2)cc1C ZINC000273042671 263011510 /nfs/dbraw/zinc/01/15/10/263011510.db2.gz IWEIQZXWEIHLFV-HUUCEWRRSA-N 1 0 277.408 3.304 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H](C)[C@@H](C)OC)cc1 ZINC000290212974 263115504 /nfs/dbraw/zinc/11/55/04/263115504.db2.gz QBNXVYPZNNQJTN-HZSPNIEDSA-N 1 0 264.413 3.217 20 10 CGCDRO C[C@@H]([NH2+][C@H]1COc2cc(F)cc(F)c21)c1ccccc1O ZINC000368212319 267153051 /nfs/dbraw/zinc/15/30/51/267153051.db2.gz MPNXHFGSNOEYDK-RNCFNFMXSA-N 1 0 291.297 3.455 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCc2ccccc2OC1)c1ccccc1O ZINC000376758410 268014209 /nfs/dbraw/zinc/01/42/09/268014209.db2.gz OTVYYACWNOELLN-DZGCQCFKSA-N 1 0 283.371 3.437 20 10 CGCDRO C[C@H](CC[NH+](C)C)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000049553312 278170457 /nfs/dbraw/zinc/17/04/57/278170457.db2.gz CRZHVWMCGLDUNY-SECBINFHSA-N 1 0 291.222 3.129 20 10 CGCDRO C[C@@H]1C[C@H](CC[NH2+][C@H]2CCc3cccc(O)c32)CCO1 ZINC000296609618 278959662 /nfs/dbraw/zinc/95/96/62/278959662.db2.gz YIZHPOVCXSMZSI-NFAWXSAZSA-N 1 0 275.392 3.174 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2COC3(CCCC3)O2)c1 ZINC000273539492 280920791 /nfs/dbraw/zinc/92/07/91/280920791.db2.gz XYSFHKKTFYCJAZ-UONOGXRCSA-N 1 0 291.391 3.037 20 10 CGCDRO COCCCC[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000185037115 327836051 /nfs/dbraw/zinc/83/60/51/327836051.db2.gz XGELGHORGODRDV-JTQLQIEISA-N 1 0 257.761 3.123 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]CCSC(C)C)c1O ZINC000289890326 327972360 /nfs/dbraw/zinc/97/23/60/327972360.db2.gz SVNOWBXGHWXXCH-UHFFFAOYSA-N 1 0 289.828 3.285 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)CCOC)c1ccc(N(C)C)cc1 ZINC000152734910 327564732 /nfs/dbraw/zinc/56/47/32/327564732.db2.gz XYTVFOXIXBAUQG-BBRMVZONSA-N 1 0 264.413 3.218 20 10 CGCDRO COC[C@H]1CCCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000375097301 329000559 /nfs/dbraw/zinc/00/05/59/329000559.db2.gz QVSLWSJQIHITIL-LBPRGKRZSA-N 1 0 283.799 3.294 20 10 CGCDRO Cc1cccc(C[NH+]2CCC(C3CCOCC3)CC2)c1O ZINC000378439201 329050325 /nfs/dbraw/zinc/05/03/25/329050325.db2.gz MZFRSJDWWAONCH-UHFFFAOYSA-N 1 0 289.419 3.339 20 10 CGCDRO Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1ccccc1O ZINC000179887777 329213099 /nfs/dbraw/zinc/21/30/99/329213099.db2.gz PWNCKQBPNKDDFO-HNNXBMFYSA-N 1 0 256.349 3.068 20 10 CGCDRO C[C@@H]1C[C@H](c2cccnc2)[N@H+](Cc2ccccc2O)C1 ZINC000185230288 329269244 /nfs/dbraw/zinc/26/92/44/329269244.db2.gz ASYWHVBXOWNPBB-CZUORRHYSA-N 1 0 268.360 3.370 20 10 CGCDRO COc1ccc([C@H]([NH2+]Cc2ccccc2O)C2CC2)cn1 ZINC000527840702 330287375 /nfs/dbraw/zinc/28/73/75/330287375.db2.gz IOJLLGAPEMWIAE-QGZVFWFLSA-N 1 0 284.359 3.037 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCN2C2CCCC2)c1 ZINC000528005294 330299690 /nfs/dbraw/zinc/29/96/90/330299690.db2.gz ZGYKIPMSQVLYMB-GOEBONIOSA-N 1 0 288.435 3.368 20 10 CGCDRO CC(C)(C)[C@@H](CO)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000194634104 330974863 /nfs/dbraw/zinc/97/48/63/330974863.db2.gz RDDYATDNEXGMCJ-QGZVFWFLSA-N 1 0 290.451 3.174 20 10 CGCDRO C[C@H]([NH2+]C[C@H](O)C(F)(F)F)c1ccc2ccccc2c1O ZINC000230659270 333319727 /nfs/dbraw/zinc/31/97/27/333319727.db2.gz UWYGDNGNMYZJQR-ZANVPECISA-N 1 0 299.292 3.119 20 10 CGCDRO C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2ccccc2O)o1 ZINC000134226793 334084666 /nfs/dbraw/zinc/08/46/66/334084666.db2.gz UYLNOMGFNHRNDL-BXUZGUMPSA-N 1 0 257.333 3.398 20 10 CGCDRO Cc1nc(C)c(C[NH2+]Cc2c(O)cccc2Cl)s1 ZINC000266127170 334690410 /nfs/dbraw/zinc/69/04/10/334690410.db2.gz BTEWUOBRKZKGNE-UHFFFAOYSA-N 1 0 282.796 3.409 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCO[C@@H](C)C2)c1 ZINC000273545557 334766749 /nfs/dbraw/zinc/76/67/49/334766749.db2.gz ZJCSCMWHRGWXCD-IHRRRGAJSA-N 1 0 263.381 3.166 20 10 CGCDRO CCOc1cccc(C[N@H+](C)Cc2occc2C)c1O ZINC000292747640 521332681 /nfs/dbraw/zinc/33/26/81/521332681.db2.gz IBTRUJZCDWJUQE-UHFFFAOYSA-N 1 0 275.348 3.324 20 10 CGCDRO CCOC1(C)CC[NH+](Cc2cc(C)c(C)cc2O)CC1 ZINC000292074085 521635330 /nfs/dbraw/zinc/63/53/30/521635330.db2.gz LNVFCDIYFBELIE-UHFFFAOYSA-N 1 0 277.408 3.400 20 10 CGCDRO CN(C)c1ccc(C[NH2+]Cc2cccc(F)c2F)cc1 ZINC000107038007 522210432 /nfs/dbraw/zinc/21/04/32/522210432.db2.gz PUCFYYSKAVANDG-UHFFFAOYSA-N 1 0 276.330 3.321 20 10 CGCDRO CC[C@H](COC)[NH2+][C@H](CC)c1ccc(C)cc1O ZINC000280149299 522263148 /nfs/dbraw/zinc/26/31/48/522263148.db2.gz QCTHDWBNZIEEIC-TZMCWYRMSA-N 1 0 251.370 3.166 20 10 CGCDRO CC[C@@H](CCO)C[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC000094936322 522508384 /nfs/dbraw/zinc/50/83/84/522508384.db2.gz KHFFIFNMVQMZAC-HNNXBMFYSA-N 1 0 278.440 3.031 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]C(C2CC2)C2CC2)c1O ZINC000228672523 522540088 /nfs/dbraw/zinc/54/00/88/522540088.db2.gz MAZLBPBMCMLVFT-UHFFFAOYSA-N 1 0 281.783 3.332 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](C)C[C@H](C)O)c1ccc(C)cc1O ZINC000280064116 522605320 /nfs/dbraw/zinc/60/53/20/522605320.db2.gz KPTHKMZRXSKLDF-YDHLFZDLSA-N 1 0 265.397 3.148 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)COCC(F)(F)F)c1ccccc1O ZINC000274886523 522687616 /nfs/dbraw/zinc/68/76/16/522687616.db2.gz IQIMYGLMFNUYGY-JQWIXIFHSA-N 1 0 291.313 3.400 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCN2CCCC[C@H]12)c1ccc(C)cc1O ZINC000280097509 522720757 /nfs/dbraw/zinc/72/07/57/522720757.db2.gz MWFKXBSMKAJKEV-GVDBMIGSSA-N 1 0 288.435 3.368 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1)c1ccc(C)cc1O ZINC000280298079 522724780 /nfs/dbraw/zinc/72/47/80/522724780.db2.gz ZSNQOQKVJWLZKX-CPUCHLNUSA-N 1 0 288.435 3.367 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)C1CCOCC1)c1ccccc1O ZINC000156372059 522729142 /nfs/dbraw/zinc/72/91/42/522729142.db2.gz DXYZIHPPEWJIAR-DOMZBBRYSA-N 1 0 263.381 3.248 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)Cn1cccn1)c1ccc(C)cc1O ZINC000279921026 522736593 /nfs/dbraw/zinc/73/65/93/522736593.db2.gz ADPWPIWSTQIWFE-HIFRSBDPSA-N 1 0 273.380 3.027 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CN(C2CC2)C[C@H]1C)c1ccc(C)cc1O ZINC000279935197 522758910 /nfs/dbraw/zinc/75/89/10/522758910.db2.gz AXGNEEIQZALCNT-COXVUDFISA-N 1 0 288.435 3.224 20 10 CGCDRO CC[C@H]1CC[N@@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000292744215 523172872 /nfs/dbraw/zinc/17/28/72/523172872.db2.gz HWARMSFVCLTAED-NSHDSACASA-N 1 0 255.745 3.039 20 10 CGCDRO CCn1cc([C@@H](C)[NH2+][C@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000274777268 523459299 /nfs/dbraw/zinc/45/92/99/523459299.db2.gz OIIZWLLSCWQJHE-ZIAGYGMSSA-N 1 0 286.423 3.381 20 10 CGCDRO CCc1ccc([C@@H](O)C[NH2+]Cc2cccc(C)c2O)cc1 ZINC000289641971 524033208 /nfs/dbraw/zinc/03/32/08/524033208.db2.gz XQDQHZWOFXSYAT-KRWDZBQOSA-N 1 0 285.387 3.086 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCc2cccnc2)c(O)c1 ZINC000284209953 524329279 /nfs/dbraw/zinc/32/92/79/524329279.db2.gz SQRFTOMTXRDJTD-CQSZACIVSA-N 1 0 270.376 3.297 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C2CCC3(CC3)CC2)c1 ZINC000277409629 524751348 /nfs/dbraw/zinc/75/13/48/524751348.db2.gz LNZGZWLVIBNALI-UHFFFAOYSA-N 1 0 261.365 3.213 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CC=CCC2)c1 ZINC000045628727 524762317 /nfs/dbraw/zinc/76/23/17/524762317.db2.gz DMYGLLDSSRIKLS-OLZOCXBDSA-N 1 0 261.365 3.408 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+](C)C2CCC(CO)CC2)c1O ZINC000290574146 524862927 /nfs/dbraw/zinc/86/29/27/524862927.db2.gz TZRHXNNPHUJSEC-UHFFFAOYSA-N 1 0 297.826 3.337 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]CCCn2cnc3ccccc32)c1 ZINC000103855050 525348874 /nfs/dbraw/zinc/34/88/74/525348874.db2.gz QYGJYBPKJVOJEZ-UHFFFAOYSA-N 1 0 295.386 3.230 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCN(C)C2CCCC2)c1 ZINC000071376872 525359509 /nfs/dbraw/zinc/35/95/09/525359509.db2.gz XPJKQIBRWFXMFF-CQSZACIVSA-N 1 0 276.424 3.226 20 10 CGCDRO C[C@H]([NH2+]Cc1cc(Br)ccc1O)C1CC1 ZINC000163754884 525427236 /nfs/dbraw/zinc/42/72/36/525427236.db2.gz YNHSIMSAOAKGPI-QMMMGPOBSA-N 1 0 270.170 3.043 20 10 CGCDRO C[C@H]([NH2+][C@@H](C)[C@H](O)c1ccccc1)c1ccccc1O ZINC000290238610 525526064 /nfs/dbraw/zinc/52/60/64/525526064.db2.gz JAARDHQLKCVLIB-DCGLDWPTSA-N 1 0 271.360 3.165 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCOC[C@H]1C)c1cc(Cl)ccc1O ZINC000278540515 525572612 /nfs/dbraw/zinc/57/26/12/525572612.db2.gz NYRITYCUWJLXJG-GBIKHYSHSA-N 1 0 269.772 3.121 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCOC[C@H]1C)c1cc2c(cc1O)CCCC2 ZINC000278664484 525622253 /nfs/dbraw/zinc/62/22/53/525622253.db2.gz TVADQMNXQLDBHJ-IGCXYCKISA-N 1 0 289.419 3.347 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCOC[C@@H]1C)c1cc2c(cc1O)CCCC2 ZINC000278664477 525622381 /nfs/dbraw/zinc/62/23/81/525622381.db2.gz TVADQMNXQLDBHJ-DCGLDWPTSA-N 1 0 289.419 3.347 20 10 CGCDRO C[C@@H](O)CCC[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000279048001 525759456 /nfs/dbraw/zinc/75/94/56/525759456.db2.gz JVXHUQSYDZLFLH-CVEARBPZSA-N 1 0 290.451 3.489 20 10 CGCDRO COc1cccc(C[NH2+]Cc2cc(C)ccc2F)c1O ZINC000289377848 526023243 /nfs/dbraw/zinc/02/32/43/526023243.db2.gz BZPUYXOQDZWCPM-UHFFFAOYSA-N 1 0 275.323 3.138 20 10 CGCDRO Cc1cn[nH]c1C[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000289646978 526030279 /nfs/dbraw/zinc/03/02/79/526030279.db2.gz XYSYWQKRFDECHZ-UHFFFAOYSA-N 1 0 298.434 3.244 20 10 CGCDRO CC[C@H](C)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000727642569 571759192 /nfs/dbraw/zinc/75/91/92/571759192.db2.gz RQRJSZNWOCVISS-ZDUSSCGKSA-N 1 0 291.395 3.473 20 10 CGCDRO Oc1ccc2ccncc2c1C[N@@H+]1CCC[C@H]1C1CC1 ZINC000728562186 571811776 /nfs/dbraw/zinc/81/17/76/571811776.db2.gz HTRUTFFLPSCHES-INIZCTEOSA-N 1 0 268.360 3.315 20 10 CGCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H]2C2CCC2)c1O ZINC000750823305 572328799 /nfs/dbraw/zinc/32/87/99/572328799.db2.gz QENBQXAXWRMQST-INIZCTEOSA-N 1 0 291.366 3.498 20 10 CGCDRO C[C@H]1CC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000725779091 572399596 /nfs/dbraw/zinc/39/95/96/572399596.db2.gz LAGALGOWQYHRQF-NSHDSACASA-N 1 0 263.381 3.237 20 10 CGCDRO COc1ccc(OC)c(C[NH2+]Cc2cc(C)ccc2O)c1 ZINC000733322524 572555478 /nfs/dbraw/zinc/55/54/78/572555478.db2.gz KRJPTYBYVYZBRU-UHFFFAOYSA-N 1 0 287.359 3.008 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H](C)c2cccnc2)cc1C ZINC000742369729 572568091 /nfs/dbraw/zinc/56/80/91/572568091.db2.gz FUJJCKSUHCBAFX-ZDUSSCGKSA-N 1 0 256.349 3.255 20 10 CGCDRO Cc1cc(O)c(C[NH2+]Cc2cccc3c2OCCO3)cc1C ZINC000742371127 572569801 /nfs/dbraw/zinc/56/98/01/572569801.db2.gz IKLCIEQYNRWKNP-UHFFFAOYSA-N 1 0 299.370 3.070 20 10 CGCDRO CCCC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000743503632 572667431 /nfs/dbraw/zinc/66/74/31/572667431.db2.gz HMFRHKNXBCVSAJ-UHFFFAOYSA-N 1 0 291.395 3.475 20 10 CGCDRO CC(C)C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000743503680 572667613 /nfs/dbraw/zinc/66/76/13/572667613.db2.gz YMVYCEUFNCCISJ-UHFFFAOYSA-N 1 0 291.395 3.331 20 10 CGCDRO C[C@@H](c1ccccc1)[C@H](CO)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000734845736 572686881 /nfs/dbraw/zinc/68/68/81/572686881.db2.gz DEDIBAATONMXEZ-KXBFYZLASA-N 1 0 298.430 3.007 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)c1ccc(NC(N)=O)cc1 ZINC000192850824 620714431 /nfs/dbraw/zinc/71/44/31/620714431.db2.gz OCASTYRLAAMRLT-NEPJUHHUSA-N 1 0 299.374 3.295 20 10 CGCDRO CC[C@H](C)[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000076276054 617968952 /nfs/dbraw/zinc/96/89/52/617968952.db2.gz IJVVEIQQFZWMJD-QMMMGPOBSA-N 1 0 288.185 3.051 20 10 CGCDRO CC[C@H]([NH2+][C@H]1C[C@H](OC)C1(C)C)c1ccccc1O ZINC000300419670 617787675 /nfs/dbraw/zinc/78/76/75/617787675.db2.gz JQJKJSIADQYNST-QEJZJMRPSA-N 1 0 263.381 3.246 20 10 CGCDRO C[C@@H]1CC[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)C[C@@H]1C ZINC000085055164 618049119 /nfs/dbraw/zinc/04/91/19/618049119.db2.gz KGLDMCHMVVBBRS-NTZNESFSSA-N 1 0 277.364 3.035 20 10 CGCDRO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000187575662 618099088 /nfs/dbraw/zinc/09/90/88/618099088.db2.gz HRVCZHHCSBRBMN-YJBOKZPZSA-N 1 0 288.435 3.144 20 10 CGCDRO COc1ccc(C[N@H+](C)[C@@H](C)C(C)(C)C)c(O)c1OC ZINC000891671514 618245376 /nfs/dbraw/zinc/24/53/76/618245376.db2.gz PEIPXVOAPPOMKN-NSHDSACASA-N 1 0 281.396 3.276 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccn(CC)n1)c1ccc(C)cc1O ZINC000840840696 618250148 /nfs/dbraw/zinc/25/01/48/618250148.db2.gz NPUXZQZZWWNOFO-HNNXBMFYSA-N 1 0 273.380 3.158 20 10 CGCDRO COc1ccc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)c(O)c1OC ZINC000891802422 618307457 /nfs/dbraw/zinc/30/74/57/618307457.db2.gz CAYMYKNFBNYONX-GXTWGEPZSA-N 1 0 291.391 3.174 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@]2(C)CCCC[C@H]2C)c1 ZINC000308708864 618354322 /nfs/dbraw/zinc/35/43/22/618354322.db2.gz LDGAJWKZQZOWPJ-WBMJQRKESA-N 1 0 263.381 3.459 20 10 CGCDRO CC[C@H]([NH2+]CCOC(C)(C)C)c1ccccc1O ZINC000308741254 618385280 /nfs/dbraw/zinc/38/52/80/618385280.db2.gz OTSZFZBMBPQVJW-ZDUSSCGKSA-N 1 0 251.370 3.248 20 10 CGCDRO COc1ccc(C[N@@H+]2C[C@H](C)CC[C@@H]2C)c(O)c1OC ZINC000892066789 618515683 /nfs/dbraw/zinc/51/56/83/618515683.db2.gz HRDLBISOASKGJJ-NEPJUHHUSA-N 1 0 279.380 3.030 20 10 CGCDRO CC1([NH2+]Cc2ccc(N3CCOCC3)cc2)CCCCC1 ZINC000045042583 618619203 /nfs/dbraw/zinc/61/92/03/618619203.db2.gz UACHLHMYBFNYTK-UHFFFAOYSA-N 1 0 288.435 3.336 20 10 CGCDRO CSCC[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000161442528 618675751 /nfs/dbraw/zinc/67/57/51/618675751.db2.gz KHIGHVQLMBWXEO-UHFFFAOYSA-N 1 0 278.465 3.472 20 10 CGCDRO Cc1ccc(CC[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000161564693 618694889 /nfs/dbraw/zinc/69/48/89/618694889.db2.gz INVXAWUZQMOTGL-HNNXBMFYSA-N 1 0 283.419 3.349 20 10 CGCDRO CC[C@H](C)C[N@H+](C)Cc1cc(OC)c(C)cc1O ZINC000179442755 618784272 /nfs/dbraw/zinc/78/42/72/618784272.db2.gz OOYTWIRFWUMYRB-NSHDSACASA-N 1 0 251.370 3.187 20 10 CGCDRO CO[C@H]1CC[N@H+](Cc2cc(Cl)ccc2O)[C@H](C)C1 ZINC000310601835 618813230 /nfs/dbraw/zinc/81/32/30/618813230.db2.gz BPYCOEZNGJWADE-MFKMUULPSA-N 1 0 269.772 3.045 20 10 CGCDRO COC1([C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2O)CCC1 ZINC000840884359 618871410 /nfs/dbraw/zinc/87/14/10/618871410.db2.gz LCVWXZVVHZWAPB-QWRGUYRKSA-N 1 0 267.344 3.140 20 10 CGCDRO COC1(C)CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000311098670 618892102 /nfs/dbraw/zinc/89/21/02/618892102.db2.gz ARBNDWMSQIPORT-UHFFFAOYSA-N 1 0 269.772 3.047 20 10 CGCDRO COc1cc(C)cc(C[N@H+](C)CC(C)(C)C)c1O ZINC000164360309 618893955 /nfs/dbraw/zinc/89/39/55/618893955.db2.gz YTPMIWFLAHBVJA-UHFFFAOYSA-N 1 0 251.370 3.187 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCOc2cccnc2)cc1 ZINC000169012977 618914855 /nfs/dbraw/zinc/91/48/55/618914855.db2.gz CRIRYQOEZBUWHL-OAHLLOKOSA-N 1 0 299.418 3.267 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@@H](C)c1ncc[nH]1 ZINC000840894406 618944191 /nfs/dbraw/zinc/94/41/91/618944191.db2.gz RCWRTUJNQGJMPU-KGLIPLIRSA-N 1 0 286.423 3.066 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H](CO)C2)c(O)c1C ZINC000840895620 618963630 /nfs/dbraw/zinc/96/36/30/618963630.db2.gz PDZVLTREMDLTBH-KKUMJFAQSA-N 1 0 277.408 3.211 20 10 CGCDRO Cc1cc(C[NH2+]C2CCC(O)CC2)c(C)n1-c1ccccc1 ZINC000314393495 618971917 /nfs/dbraw/zinc/97/19/17/618971917.db2.gz SOIGSICNNDJKHI-UHFFFAOYSA-N 1 0 298.430 3.487 20 10 CGCDRO CCSCC[C@H](C)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000893064366 618987051 /nfs/dbraw/zinc/98/70/51/618987051.db2.gz RLJLLSWWHIFAEV-NSHDSACASA-N 1 0 299.436 3.031 20 10 CGCDRO CCSCC[C@@H](C)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000893064365 618987187 /nfs/dbraw/zinc/98/71/87/618987187.db2.gz RLJLLSWWHIFAEV-LLVKDONJSA-N 1 0 299.436 3.031 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCC(F)(F)C2)c1 ZINC000312096719 619024284 /nfs/dbraw/zinc/02/42/84/619024284.db2.gz RWJCEHGXYFYQGA-ZJUUUORDSA-N 1 0 271.307 3.239 20 10 CGCDRO Cc1cccc(C[N@@H+](C)CC2(O)CCCCCC2)c1O ZINC000190138729 619097664 /nfs/dbraw/zinc/09/76/64/619097664.db2.gz ULMBFZJQFQGWGN-UHFFFAOYSA-N 1 0 277.408 3.218 20 10 CGCDRO CS[C@H](C)C[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840905568 619099480 /nfs/dbraw/zinc/09/94/80/619099480.db2.gz AFLYNIDLHUCETO-SECBINFHSA-N 1 0 259.802 3.195 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H]2CC3CCC2CC3)c1O ZINC000312812756 619151528 /nfs/dbraw/zinc/15/15/28/619151528.db2.gz LSPLZVLDEONVIF-SSDMNJCBSA-N 1 0 275.392 3.459 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@H+](C)Cc1ccncc1 ZINC000840939199 619229266 /nfs/dbraw/zinc/22/92/66/619229266.db2.gz KJQSGKJMCLCZNF-UHFFFAOYSA-N 1 0 269.392 3.088 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]CCc1cc(F)cc(F)c1)CC2 ZINC000314618165 619233766 /nfs/dbraw/zinc/23/37/66/619233766.db2.gz WGBQZWXUSHZYDH-HNNXBMFYSA-N 1 0 289.325 3.490 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)c1cc[nH]c(=O)c1 ZINC000840949117 619251116 /nfs/dbraw/zinc/25/11/16/619251116.db2.gz NXJGBOAESXVNEP-CYBMUJFWSA-N 1 0 285.391 3.012 20 10 CGCDRO C[C@@H]([NH2+]CCOC1CCCC1)c1cc(F)ccc1O ZINC000094618226 619260981 /nfs/dbraw/zinc/26/09/81/619260981.db2.gz GBKYPRDYSJPZIJ-LLVKDONJSA-N 1 0 267.344 3.141 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1Cc2ccccc2O1)c1cc(F)ccc1O ZINC000094617737 619285654 /nfs/dbraw/zinc/28/56/54/619285654.db2.gz NCMIOPFHSYPMFC-FZMZJTMJSA-N 1 0 287.334 3.186 20 10 CGCDRO CCSCC[NH2+][C@H](C)Cc1ccc(N(C)C)cc1C ZINC000840975155 619305311 /nfs/dbraw/zinc/30/53/11/619305311.db2.gz DFJHALZHIUYBIS-CQSZACIVSA-N 1 0 280.481 3.335 20 10 CGCDRO COc1cc(C)cc(C[NH2+]CC[C@H]2CCO[C@@H](C)C2)c1O ZINC000894443089 619538582 /nfs/dbraw/zinc/53/85/82/619538582.db2.gz CUOKNWKIRFPUKN-KBPBESRZSA-N 1 0 293.407 3.004 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@@H](C)CC(F)(F)F)c1O ZINC000894473848 619547552 /nfs/dbraw/zinc/54/75/52/619547552.db2.gz HQEYTWWFCNTHNC-VIFPVBQESA-N 1 0 277.286 3.140 20 10 CGCDRO COc1ccc(C[N@@H+]2CCC[C@H](C3CC3)C2)c(O)c1OC ZINC000894523351 619562590 /nfs/dbraw/zinc/56/25/90/619562590.db2.gz WWLRTFPVOPDELR-ZDUSSCGKSA-N 1 0 291.391 3.031 20 10 CGCDRO COc1ccc(C[N@@H+]2CC(C)(C)[C@@H]2C2CC2)c(O)c1OC ZINC000894543607 619570568 /nfs/dbraw/zinc/57/05/68/619570568.db2.gz BVAKVSWDMKUGCR-INIZCTEOSA-N 1 0 291.391 3.030 20 10 CGCDRO CN(C)C1(C[N@H+](C)Cc2c(O)ccc3ccccc32)CCC1 ZINC000187902401 619603271 /nfs/dbraw/zinc/60/32/71/619603271.db2.gz NPWCMDMBPHGMKM-UHFFFAOYSA-N 1 0 298.430 3.462 20 10 CGCDRO CO[C@@]1(C)C[C@H]([NH2+]Cc2ccc(N(C)C)cc2)C1(C)C ZINC000237161758 619699912 /nfs/dbraw/zinc/69/99/12/619699912.db2.gz XJWGADPCKQUWBL-RDJZCZTQSA-N 1 0 276.424 3.046 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)c1 ZINC000793231091 619708793 /nfs/dbraw/zinc/70/87/93/619708793.db2.gz KSQCIWOKXCKOEH-CABZTGNLSA-N 1 0 289.297 3.174 20 10 CGCDRO CC1CCC([N@H+](C)Cc2cc3c(cc2O)OCO3)CC1 ZINC000049281459 619722620 /nfs/dbraw/zinc/72/26/20/619722620.db2.gz WXYWNYWOPVWHSW-UHFFFAOYSA-N 1 0 277.364 3.131 20 10 CGCDRO C[C@@H]([NH2+]C1CC2(C1)COC(C)(C)C2)c1ccccc1O ZINC000895129397 619744911 /nfs/dbraw/zinc/74/49/11/619744911.db2.gz BSJHAYHSAGDVEV-SFYCDEOASA-N 1 0 275.392 3.391 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H]([C@@H]3CCCO3)C2)cc1Cl ZINC000895841570 619892174 /nfs/dbraw/zinc/89/21/74/619892174.db2.gz CSGYCARCMSSWRK-WBMJQRKESA-N 1 0 295.810 3.355 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+][C@H]1CCc2c1cccc2F ZINC000895855447 619897927 /nfs/dbraw/zinc/89/79/27/619897927.db2.gz RZEMRAZKHVIABT-HNNXBMFYSA-N 1 0 275.298 3.448 20 10 CGCDRO COc1ccc(C[NH2+]C(C)(C)/C=C\Cl)c(O)c1OC ZINC000896752278 620056664 /nfs/dbraw/zinc/05/66/64/620056664.db2.gz QGBBBXALPFNLLH-FPLPWBNLSA-N 1 0 285.771 3.030 20 10 CGCDRO CO[C@]1(C)C[C@H]([NH2+]Cc2cc(C)c(C)cc2O)C1(C)C ZINC000237272007 620076890 /nfs/dbraw/zinc/07/68/90/620076890.db2.gz GYPZWDZZVCYCSH-DOTOQJQBSA-N 1 0 277.408 3.302 20 10 CGCDRO C[C@H]1C[NH+](Cc2cc(C(C)(C)C)cc(O)c2O)C[C@@H]1C ZINC000751929224 620252443 /nfs/dbraw/zinc/25/24/43/620252443.db2.gz PCHLWKBDXNAGOU-RYUDHWBXSA-N 1 0 277.408 3.483 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H](CCO)C2CCCC2)cc1C ZINC000897885168 620444340 /nfs/dbraw/zinc/44/43/40/620444340.db2.gz DHPJPMKTLGFPQW-INIZCTEOSA-N 1 0 277.408 3.040 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2C[C@H]3CCC[C@@H]32)c1 ZINC000897953942 620454524 /nfs/dbraw/zinc/45/45/24/620454524.db2.gz VPCLOZPPUPWJBO-BYCMXARLSA-N 1 0 261.365 3.069 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@H]32)c1 ZINC000897960200 620456962 /nfs/dbraw/zinc/45/69/62/620456962.db2.gz ZSEIJRMKUUNPMZ-FMVNMVDZSA-N 1 0 261.365 3.240 20 10 CGCDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@H](Cc2nccs2)C1 ZINC000898071579 620477347 /nfs/dbraw/zinc/47/73/47/620477347.db2.gz PLSMBLJMUBRDOR-LLVKDONJSA-N 1 0 292.379 3.052 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCOC23CCCC3)cc1C ZINC000898111511 620479408 /nfs/dbraw/zinc/47/94/08/620479408.db2.gz FCSRIMTVTJWNFQ-MRXNPFEDSA-N 1 0 275.392 3.200 20 10 CGCDRO CCOc1ccc(O)c(C[NH+]2CC(Cc3ccoc3)C2)c1 ZINC000898160608 620484519 /nfs/dbraw/zinc/48/45/19/620484519.db2.gz LSWWJDALDULMKC-UHFFFAOYSA-N 1 0 287.359 3.058 20 10 CGCDRO COc1cccc(C[NH2+]CC2(OC)CCCCCC2)c1O ZINC000898263455 620500909 /nfs/dbraw/zinc/50/09/09/620500909.db2.gz HSJLWPRAFCWXJL-UHFFFAOYSA-N 1 0 293.407 3.230 20 10 CGCDRO Oc1ccccc1C[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000898324344 620507072 /nfs/dbraw/zinc/50/70/72/620507072.db2.gz GEIUGDLQCWQDKT-MRXNPFEDSA-N 1 0 254.333 3.028 20 10 CGCDRO CCOc1cccc(C[NH2+]C(C)(C)CSC)c1O ZINC000898305639 620509271 /nfs/dbraw/zinc/50/92/71/620509271.db2.gz LZPLGVUPBCWMLN-UHFFFAOYSA-N 1 0 269.410 3.022 20 10 CGCDRO Oc1c(C[NH2+][C@H]2COC[C@@H]2C2CC2)ccc2ccccc21 ZINC000898380410 620515064 /nfs/dbraw/zinc/51/50/64/620515064.db2.gz NYCHJNAGLOTEIS-SJORKVTESA-N 1 0 283.371 3.060 20 10 CGCDRO CCC[C@@H](O)CC[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000927013821 620561275 /nfs/dbraw/zinc/56/12/75/620561275.db2.gz ACQXXZPKJZIOAN-ZIAGYGMSSA-N 1 0 265.397 3.211 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCS[C@H](C)C2)c1 ZINC000927028483 620563931 /nfs/dbraw/zinc/56/39/31/620563931.db2.gz AIBHCJPGPVULLC-WOPDTQHZSA-N 1 0 281.421 3.336 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3cccc(O)c32)CCS1 ZINC000927025606 620563965 /nfs/dbraw/zinc/56/39/65/620563965.db2.gz COGQBUPZBSFBLY-WXHSDQCUSA-N 1 0 263.406 3.253 20 10 CGCDRO CC[C@@H]([NH2+]CC1([NH3+])CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000902407179 621292849 /nfs/dbraw/zinc/29/28/49/621292849.db2.gz PZJAOZTYWTVRIZ-LLVKDONJSA-N 1 0 289.206 3.231 20 10 CGCDRO CC[C@H]([NH2+][C@H]1COC[C@@H]1C)c1cc(Cl)ccc1O ZINC000903393009 621718616 /nfs/dbraw/zinc/71/86/16/621718616.db2.gz DCKIXQFZDYPXJW-XDTLVQLUSA-N 1 0 269.772 3.121 20 10 CGCDRO CC(C)([NH3+])c1ccc(NCc2cc(F)ccc2O)cc1 ZINC000904471191 621925962 /nfs/dbraw/zinc/92/59/62/621925962.db2.gz ZUTOILJEECXGDB-UHFFFAOYSA-N 1 0 274.339 3.337 20 10 CGCDRO CCCN(CCC)c1ccc(CN[C@H](C)[C@@H](C)[NH3+])cc1 ZINC000841082165 622275800 /nfs/dbraw/zinc/27/58/00/622275800.db2.gz WOUYBEQMKDLFGE-HUUCEWRRSA-N 1 0 277.456 3.138 20 10 CGCDRO CC(C)[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000151074896 622729321 /nfs/dbraw/zinc/72/93/21/622729321.db2.gz XMYMKOVWPXHIDO-SFHVURJKSA-N 1 0 288.435 3.047 20 10 CGCDRO CC[C@@H](C)[C@H](O)C[NH2+][C@@H](CC)c1ccc(N(C)C)cc1 ZINC000163954705 622809775 /nfs/dbraw/zinc/80/97/75/622809775.db2.gz OBIOZZRVXCLTQE-XOKHGSTOSA-N 1 0 278.440 3.200 20 10 CGCDRO COc1cc(C)cc(C[N@H+](C)CC2CCCC2)c1O ZINC000164224268 622820203 /nfs/dbraw/zinc/82/02/03/622820203.db2.gz BHWQZCAUEXBQGT-UHFFFAOYSA-N 1 0 263.381 3.331 20 10 CGCDRO COc1ccc(O)c(C[NH2+]CCCC2CCCC2)c1 ZINC000224495558 622878111 /nfs/dbraw/zinc/87/81/11/622878111.db2.gz FBJQBIXZNZCEFM-UHFFFAOYSA-N 1 0 263.381 3.461 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1CCSC1)c1ccc(N(C)C)cc1 ZINC000226387751 622966581 /nfs/dbraw/zinc/96/65/81/622966581.db2.gz NWJBQLXIJWQAQJ-OLZOCXBDSA-N 1 0 264.438 3.156 20 10 CGCDRO Cc1cccc(OCC[NH2+]Cc2cc(F)ccc2O)c1 ZINC000226582118 622984498 /nfs/dbraw/zinc/98/44/98/622984498.db2.gz KFVSRLKZOJJTDB-UHFFFAOYSA-N 1 0 275.323 3.008 20 10 CGCDRO Oc1ccccc1C[NH2+]Cc1cncc2ccccc21 ZINC000158091876 623003864 /nfs/dbraw/zinc/00/38/64/623003864.db2.gz AGDMVEVTNUZZPZ-UHFFFAOYSA-N 1 0 264.328 3.230 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]C2(C)CCCC2)c1O ZINC000228669943 623069903 /nfs/dbraw/zinc/06/99/03/623069903.db2.gz ZRQMHJCZUAPXJL-UHFFFAOYSA-N 1 0 269.772 3.477 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)C1CCOCC1 ZINC000230223860 623222601 /nfs/dbraw/zinc/22/26/01/623222601.db2.gz NZOJVXQPJVXMQE-HNNXBMFYSA-N 1 0 288.435 3.192 20 10 CGCDRO COCC[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000062735735 623263519 /nfs/dbraw/zinc/26/35/19/623263519.db2.gz MMDMVYMFQRGJSZ-UHFFFAOYSA-N 1 0 290.432 3.121 20 10 CGCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCCC2(C)C)c1O ZINC000063071717 623292806 /nfs/dbraw/zinc/29/28/06/623292806.db2.gz UEBLHCMQUNWBHY-UHFFFAOYSA-N 1 0 265.328 3.108 20 10 CGCDRO Cc1cccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1O ZINC000231884555 623348122 /nfs/dbraw/zinc/34/81/22/623348122.db2.gz ZTKUDMZSBFOIEH-UHFFFAOYSA-N 1 0 286.331 3.207 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]Cc1ccc(F)cc1 ZINC000083551144 625644880 /nfs/dbraw/zinc/64/48/80/625644880.db2.gz HOZIWWODNGMKAM-UHFFFAOYSA-N 1 0 265.715 3.475 20 10 CGCDRO COc1cccc(C[N@H+](C)C[C@@H]2CC=CCC2)c1O ZINC000753574354 623417162 /nfs/dbraw/zinc/41/71/62/623417162.db2.gz CXBJUNMRUMVDOX-CYBMUJFWSA-N 1 0 261.365 3.189 20 10 CGCDRO COc1ccc(C[NH2+]C[C@@H](CC(C)C)N(C)C)cc1C ZINC000035258549 623423890 /nfs/dbraw/zinc/42/38/90/623423890.db2.gz ZMKIIDMPOIFKCF-MRXNPFEDSA-N 1 0 278.440 3.070 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)[C@@H]2CCCO2)cc1F ZINC000152061905 623611829 /nfs/dbraw/zinc/61/18/29/623611829.db2.gz PDPZUIPUYLOSPM-DYVFJYSZSA-N 1 0 294.414 3.329 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cc(Br)ccc1O)C1CC1 ZINC000324366950 623876493 /nfs/dbraw/zinc/87/64/93/623876493.db2.gz WXIIKRCPCRTAOS-GFCCVEGCSA-N 1 0 284.197 3.433 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1ccccn1 ZINC000921475261 624598695 /nfs/dbraw/zinc/59/86/95/624598695.db2.gz UIHKVDTZXQJIAO-CYBMUJFWSA-N 1 0 268.360 3.257 20 10 CGCDRO Cc1cccc(C[N@H+](C)CCOc2ccccc2F)c1O ZINC000179620441 624672661 /nfs/dbraw/zinc/67/26/61/624672661.db2.gz DMLJXDHHCPRTLA-UHFFFAOYSA-N 1 0 289.350 3.351 20 10 CGCDRO COc1ccc(OCC[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000179887190 624694668 /nfs/dbraw/zinc/69/46/68/624694668.db2.gz CMZJDCROTXWVHU-CYBMUJFWSA-N 1 0 287.359 3.130 20 10 CGCDRO CC(C)([NH2+]Cc1cc(F)ccc1O)c1nccs1 ZINC000180730097 624768125 /nfs/dbraw/zinc/76/81/25/624768125.db2.gz DZTHVYVHTNTKPH-UHFFFAOYSA-N 1 0 266.341 3.013 20 10 CGCDRO Cc1ccc(C[N@@H+](CCO)Cc2ccc(N(C)C)cc2)cc1 ZINC000180843573 624777615 /nfs/dbraw/zinc/77/76/15/624777615.db2.gz HFDNINRLTRHZCH-UHFFFAOYSA-N 1 0 298.430 3.056 20 10 CGCDRO COc1ccccc1CCC[N@H+](C)Cc1ccccc1O ZINC000182603732 625021880 /nfs/dbraw/zinc/02/18/80/625021880.db2.gz KVHZOLJUTSARTL-UHFFFAOYSA-N 1 0 285.387 3.465 20 10 CGCDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1cc(F)cc(C(C)=O)c1O ZINC000183058946 625043997 /nfs/dbraw/zinc/04/39/97/625043997.db2.gz FKFKXPCTAZEYKL-ZJUUUORDSA-N 1 0 267.344 3.258 20 10 CGCDRO CCOc1ccc(O)c(C[N@H+](C)[C@H](C)c2ccncc2)c1 ZINC000183712451 625114106 /nfs/dbraw/zinc/11/41/06/625114106.db2.gz NTWBBBGSNCKXEB-CYBMUJFWSA-N 1 0 286.375 3.379 20 10 CGCDRO CCC(CC)(C[NH2+][C@@H](C)c1cc(F)ccc1O)C(=O)OC ZINC000183880145 625161184 /nfs/dbraw/zinc/16/11/84/625161184.db2.gz LXEAETQAYGXZQR-NSHDSACASA-N 1 0 297.370 3.161 20 10 CGCDRO CC[C@H]1CC[N@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000184702496 625263539 /nfs/dbraw/zinc/26/35/39/625263539.db2.gz IKLHOXSOIYXXDY-JTQLQIEISA-N 1 0 269.772 3.286 20 10 CGCDRO Cc1cncc(C[NH2+][C@@H](C)c2cc(F)ccc2O)c1 ZINC000186192053 625748716 /nfs/dbraw/zinc/74/87/16/625748716.db2.gz CDHBQIAWTXPRNU-NSHDSACASA-N 1 0 260.312 3.086 20 10 CGCDRO CSCC[C@@H](C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921757800 625864892 /nfs/dbraw/zinc/86/48/92/625864892.db2.gz UCWSBOQQMWHBOJ-GFCCVEGCSA-N 1 0 265.422 3.243 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)[C@@H]1CCCO1 ZINC000921934068 625935992 /nfs/dbraw/zinc/93/59/92/625935992.db2.gz NYZCEFFJZOKFGB-RDJZCZTQSA-N 1 0 275.392 3.059 20 10 CGCDRO CCC1(O)CCC([NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000921959484 625945710 /nfs/dbraw/zinc/94/57/10/625945710.db2.gz HLQQBCFTWREIQT-UHFFFAOYSA-N 1 0 289.419 3.185 20 10 CGCDRO CCO[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2cc(OC)ccc2O)C1 ZINC000922217088 625985191 /nfs/dbraw/zinc/98/51/91/625985191.db2.gz LUEDLXKBBXWLMJ-UMVBOHGHSA-N 1 0 293.407 3.399 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]CCCO[C@H]1CCCCO1 ZINC000922232173 625987693 /nfs/dbraw/zinc/98/76/93/625987693.db2.gz HQHXXDINLSZMBK-HNNXBMFYSA-N 1 0 299.798 3.069 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2ccc3c(c2)CCCO3)c1 ZINC000922285994 625993362 /nfs/dbraw/zinc/99/33/62/625993362.db2.gz RYQFVFXADYBLKL-UHFFFAOYSA-N 1 0 283.371 3.315 20 10 CGCDRO c1cc2c(cc1C[NH2+]C[C@@H]1C[C@@H]3CCC[C@@H]3O1)CCCO2 ZINC000922325132 625998320 /nfs/dbraw/zinc/99/83/20/625998320.db2.gz XZHNESCSNXLTDJ-BQFCYCMXSA-N 1 0 287.403 3.059 20 10 CGCDRO CO[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2O)C12CCC2 ZINC000922332585 625999132 /nfs/dbraw/zinc/99/91/32/625999132.db2.gz NXZLVXUJDDOWCQ-GLQYFDAESA-N 1 0 261.365 3.000 20 10 CGCDRO c1cc2c(cc1C[NH2+]C[C@H]1CCC3(CCC3)O1)CCCO2 ZINC000922335789 625999764 /nfs/dbraw/zinc/99/97/64/625999764.db2.gz URCLVXMTPIKUCN-MRXNPFEDSA-N 1 0 287.403 3.203 20 10 CGCDRO CCOc1cccc(C[NH2+]C[C@@H]2C[C@H]2C(F)(F)F)c1O ZINC000922731895 626040670 /nfs/dbraw/zinc/04/06/70/626040670.db2.gz IICPMUJOKHXBLU-WDEREUQCSA-N 1 0 289.297 3.079 20 10 CGCDRO CCOCCCC[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756421109 626090713 /nfs/dbraw/zinc/09/07/13/626090713.db2.gz FJAHYZCEPLHREM-YPMHNXCESA-N 1 0 281.371 3.486 20 10 CGCDRO CCOc1cccc(C[NH2+]Cc2cccc3c2OCC3)c1O ZINC000922943393 626104383 /nfs/dbraw/zinc/10/43/83/626104383.db2.gz DPTCIBRWPJBKDY-UHFFFAOYSA-N 1 0 299.370 3.016 20 10 CGCDRO COc1cc(Cl)cc(C[NH+]2CC3(C2)CCCC3)c1O ZINC000839106023 626314856 /nfs/dbraw/zinc/31/48/56/626314856.db2.gz ZVPBHDCQNQLJNA-UHFFFAOYSA-N 1 0 281.783 3.430 20 10 CGCDRO Oc1ccccc1C[NH+]1CC(Cc2ccc(F)c(F)c2)C1 ZINC000839144419 626316978 /nfs/dbraw/zinc/31/69/78/626316978.db2.gz NLYXJFLHOIMLFK-UHFFFAOYSA-N 1 0 289.325 3.345 20 10 CGCDRO COc1cccc(O)c1C[NH+]1CC(C)(CC(F)(F)F)C1 ZINC000839142820 626323075 /nfs/dbraw/zinc/32/30/75/626323075.db2.gz JUTSUYOXPWEMOO-UHFFFAOYSA-N 1 0 289.297 3.175 20 10 CGCDRO CC1(CC(F)(F)F)C[NH+](Cc2ccccc2O)C1 ZINC000839143799 626323713 /nfs/dbraw/zinc/32/37/13/626323713.db2.gz SINUDJUKZZVQQX-UHFFFAOYSA-N 1 0 259.271 3.167 20 10 CGCDRO COc1cccc(O)c1C[N@H+](C)Cc1ccc(F)cc1C ZINC000754153827 626561117 /nfs/dbraw/zinc/56/11/17/626561117.db2.gz JKOLBJRQWHUYMF-UHFFFAOYSA-N 1 0 289.350 3.480 20 10 CGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(OC)nc1 ZINC000754668490 626581095 /nfs/dbraw/zinc/58/10/95/626581095.db2.gz PBHNIJJYTHSRFJ-UHFFFAOYSA-N 1 0 299.418 3.178 20 10 CGCDRO COc1cc(C)cc(C[N@H+](C)Cc2cnc(C)s2)c1O ZINC000754727539 626584914 /nfs/dbraw/zinc/58/49/14/626584914.db2.gz IGLFDNZHIFQZDL-UHFFFAOYSA-N 1 0 292.404 3.106 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(C)c1)[C@H]1CCCO1 ZINC000756044800 626672313 /nfs/dbraw/zinc/67/23/13/626672313.db2.gz IOTMAWDPLBRJAR-GDBMZVCRSA-N 1 0 263.381 3.051 20 10 CGCDRO CSCC[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756351859 626695282 /nfs/dbraw/zinc/69/52/82/626695282.db2.gz OYVNYBJABJQVPZ-WPRPVWTQSA-N 1 0 255.358 3.032 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]CCCOCC2CC2)c2c1c(F)ccc2O ZINC000756361453 626696399 /nfs/dbraw/zinc/69/63/99/626696399.db2.gz ZZOOHXJEBFKAAV-BXUZGUMPSA-N 1 0 293.382 3.486 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]Cc2nccs2)c2c1c(F)ccc2O ZINC000756444685 626706569 /nfs/dbraw/zinc/70/65/69/626706569.db2.gz WHAISAGHNSUIRJ-SCZZXKLOSA-N 1 0 278.352 3.326 20 10 CGCDRO CC(C)N(C)CC[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756525511 626712030 /nfs/dbraw/zinc/71/20/30/626712030.db2.gz PSPTYSJOJRXXQZ-AAEUAGOBSA-N 1 0 280.387 3.009 20 10 CGCDRO Cc1cc(C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)on1 ZINC000756546474 626714211 /nfs/dbraw/zinc/71/42/11/626714211.db2.gz QHCVPOULALVLDO-LBPRGKRZSA-N 1 0 260.337 3.156 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]CCOCC2CC2)c2c1c(F)ccc2O ZINC000756556938 626714467 /nfs/dbraw/zinc/71/44/67/626714467.db2.gz YHVCSDGWMCLSQK-MFKMUULPSA-N 1 0 279.355 3.096 20 10 CGCDRO CC[C@H](C)[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000756577969 626717670 /nfs/dbraw/zinc/71/76/70/626717670.db2.gz UCSHFPUYVCYWTM-XEZPLFJOSA-N 1 0 265.397 3.148 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)CC(C)(C)C)c(O)c1C ZINC000756591307 626718444 /nfs/dbraw/zinc/71/84/44/626718444.db2.gz QOVAUUMJFVLCOH-ZIAGYGMSSA-N 1 0 279.424 3.457 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)cc1C)c1ccn(C)n1 ZINC000756587061 626718698 /nfs/dbraw/zinc/71/86/98/626718698.db2.gz WGAIGOWPDIMZEK-INIZCTEOSA-N 1 0 286.423 3.035 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[C@H](O)C2)c(O)c1C ZINC000756603258 626719929 /nfs/dbraw/zinc/71/99/29/626719929.db2.gz AARZULRVKGZILE-KKUMJFAQSA-N 1 0 277.408 3.211 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@H](O)C2)c2c1c(F)ccc2O ZINC000756611580 626720526 /nfs/dbraw/zinc/72/05/26/626720526.db2.gz WNJLWYACMTZJIE-NMKXLXIOSA-N 1 0 293.382 3.220 20 10 CGCDRO C[C@@H]1CCN(CC[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)C1 ZINC000756630403 626722093 /nfs/dbraw/zinc/72/20/93/626722093.db2.gz VNYATTDLOMJFOS-DYEKYZERSA-N 1 0 292.398 3.011 20 10 CGCDRO CO[C@H](C[NH2+][C@@H](C)c1cc(Cl)ccc1O)C(C)C ZINC000756628907 626722267 /nfs/dbraw/zinc/72/22/67/626722267.db2.gz YRASXUKXOYDVNX-IINYFYTJSA-N 1 0 271.788 3.367 20 10 CGCDRO C[C@H](O)CC(C)(C)C[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756732560 626728322 /nfs/dbraw/zinc/72/83/22/626728322.db2.gz JEIUAVGPUUMJQU-GMXVVIOVSA-N 1 0 295.398 3.466 20 10 CGCDRO CC[C@H](O)CCC[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756738621 626728896 /nfs/dbraw/zinc/72/88/96/626728896.db2.gz JWBKUXOYFAHXCD-NTZNESFSSA-N 1 0 281.371 3.220 20 10 CGCDRO COC[C@H]([NH2+][C@H](C)c1ccc(C)c(C)c1O)C1CC1 ZINC000756768783 626730671 /nfs/dbraw/zinc/73/06/71/626730671.db2.gz MFWCTNCFWDPWID-DOMZBBRYSA-N 1 0 263.381 3.085 20 10 CGCDRO C[C@H]1C[C@H]([NH2+]Cc2ncccc2F)c2c1c(F)ccc2O ZINC000756768178 626730723 /nfs/dbraw/zinc/73/07/23/626730723.db2.gz KQLKVKPZQKIFDB-CABZTGNLSA-N 1 0 290.313 3.404 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCOCC2)c2c1c(F)ccc2O ZINC000756788743 626732753 /nfs/dbraw/zinc/73/27/53/626732753.db2.gz CJWAKIVQTYLKJY-WZRBSPASSA-N 1 0 279.355 3.238 20 10 CGCDRO CO[C@](C)([C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1)C1CC1 ZINC000839640633 626774068 /nfs/dbraw/zinc/77/40/68/626774068.db2.gz RJZXBWBNBKVBOQ-CXAGYDPISA-N 1 0 276.424 3.046 20 10 CGCDRO C[C@H](C[C@H](C)O)[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000757659088 626798212 /nfs/dbraw/zinc/79/82/12/626798212.db2.gz YHZLITVQFYWJSW-FRRDWIJNSA-N 1 0 277.408 3.081 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](c2cccnc2)C2CC2)c1 ZINC000758623133 626851417 /nfs/dbraw/zinc/85/14/17/626851417.db2.gz KJTFUJQTHAOLEX-GOSISDBHSA-N 1 0 298.386 3.427 20 10 CGCDRO c1cncc([C@H]([NH2+]Cc2ccc3c(c2)CCO3)C2CC2)c1 ZINC000758625378 626851473 /nfs/dbraw/zinc/85/14/73/626851473.db2.gz UIPXGEYOBRWHGN-GOSISDBHSA-N 1 0 280.371 3.257 20 10 CGCDRO CN(Cc1ccsc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000761221322 627026102 /nfs/dbraw/zinc/02/61/02/627026102.db2.gz FDYSSWIQRXMVTP-UHFFFAOYSA-N 1 0 290.432 3.325 20 10 CGCDRO CC[N@H+](CCC1CC1)Cc1ccc(N2CCOCC2)cc1 ZINC000761226499 627026848 /nfs/dbraw/zinc/02/68/48/627026848.db2.gz STCAUTYMRCGPKQ-UHFFFAOYSA-N 1 0 288.435 3.145 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]C2CCC(F)(F)CC2)c1 ZINC000761334433 627033319 /nfs/dbraw/zinc/03/33/19/627033319.db2.gz CXKPAJDWABMPAO-UHFFFAOYSA-N 1 0 285.334 3.458 20 10 CGCDRO CCC[C@@H](C)[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000764435189 627207256 /nfs/dbraw/zinc/20/72/56/627207256.db2.gz KIELEJYNOQVBCW-CQSZACIVSA-N 1 0 276.424 3.442 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccco2)cc1 ZINC000764768659 627222508 /nfs/dbraw/zinc/22/25/08/627222508.db2.gz MMRFXZGCYRBLBW-CZUORRHYSA-N 1 0 288.391 3.120 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)CCOC(C)C)cc1 ZINC000764818069 627226486 /nfs/dbraw/zinc/22/64/86/627226486.db2.gz YOUYXCKLIQLWQA-UHFFFAOYSA-N 1 0 278.440 3.390 20 10 CGCDRO COc1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)c(C)c1 ZINC000765270848 627244541 /nfs/dbraw/zinc/24/45/41/627244541.db2.gz MBXIHXKKKPNIMA-UHFFFAOYSA-N 1 0 283.371 3.228 20 10 CGCDRO COc1ccc(N2CCC([NH2+]C[C@@H](C)C3CC3)CC2)cc1 ZINC000765390331 627247803 /nfs/dbraw/zinc/24/78/03/627247803.db2.gz CTJJHCVJNVNUJN-CQSZACIVSA-N 1 0 288.435 3.300 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](C)Cc1cnccn1)c1ccc(N(C)C)cc1 ZINC000765439810 627249553 /nfs/dbraw/zinc/24/95/53/627249553.db2.gz LWCGZCAOFUQKJL-KBXCAEBGSA-N 1 0 298.434 3.215 20 10 CGCDRO COc1cc(C[N@@H+]2CCSCC[C@@H]2C)c(O)cc1C ZINC000790479929 627267949 /nfs/dbraw/zinc/26/79/49/627267949.db2.gz IESZIWZAJHUKBQ-LBPRGKRZSA-N 1 0 281.421 3.037 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCN2CCC[C@@H]2C)cc1 ZINC000766273543 627311304 /nfs/dbraw/zinc/31/13/04/627311304.db2.gz QGQIQUOVBAPMNH-HOTGVXAUSA-N 1 0 289.467 3.278 20 10 CGCDRO CC[C@@H]([NH2+]C1CCC(C)(O)CC1)c1ccc(N(C)C)cc1 ZINC000766481106 627336406 /nfs/dbraw/zinc/33/64/06/627336406.db2.gz ZZEUEQJAUQNLPD-IIIMJFFVSA-N 1 0 290.451 3.487 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCc3cc(O)ccc3C2)cc1C ZINC000767726417 627432904 /nfs/dbraw/zinc/43/29/04/627432904.db2.gz ATNAYUNSKOHDPK-KRWDZBQOSA-N 1 0 297.398 3.362 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCc3cc(O)ccc3C2)cc1 ZINC000767727004 627432989 /nfs/dbraw/zinc/43/29/89/627432989.db2.gz FXRLPJFTZZSVKU-KRWDZBQOSA-N 1 0 296.414 3.105 20 10 CGCDRO CC(C)[N@H+](C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768140818 627462999 /nfs/dbraw/zinc/46/29/99/627462999.db2.gz LZIBLMFCWXPZOE-UHFFFAOYSA-N 1 0 291.395 3.425 20 10 CGCDRO Cc1cncc([C@H](C)[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000768221705 627468825 /nfs/dbraw/zinc/46/88/25/627468825.db2.gz SZWCDBDYGKVKIE-ZDUSSCGKSA-N 1 0 268.360 3.176 20 10 CGCDRO CC(C)[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000768319546 627473320 /nfs/dbraw/zinc/47/33/20/627473320.db2.gz PPYCUCKDSSIHGA-SFHVURJKSA-N 1 0 288.435 3.144 20 10 CGCDRO CCCCC[N@H+](Cc1cc2c(cc1O)OC[C@@H]2O)C(C)C ZINC000768439905 627479692 /nfs/dbraw/zinc/47/96/92/627479692.db2.gz PBSYFZGCVFCSQW-INIZCTEOSA-N 1 0 293.407 3.219 20 10 CGCDRO C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1cc2c(cc1O)CCCC2 ZINC000768463961 627481177 /nfs/dbraw/zinc/48/11/77/627481177.db2.gz YCVPNHKGBNLERK-CXAGYDPISA-N 1 0 289.419 3.006 20 10 CGCDRO COc1cc(C[N@@H+]2CC[C@@H](C(C)C)C2)c(O)cc1C ZINC000768465189 627481360 /nfs/dbraw/zinc/48/13/60/627481360.db2.gz YJLKHDDCTQWQHW-CYBMUJFWSA-N 1 0 263.381 3.187 20 10 CGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@H]1CCCOC1 ZINC000768531127 627484763 /nfs/dbraw/zinc/48/47/63/627484763.db2.gz WEYOPSTYKVJOBR-CQSZACIVSA-N 1 0 263.381 3.031 20 10 CGCDRO CCC(CC)[N@H+](CCOC)Cc1ccc(N(C)C)cc1 ZINC000768598729 627488501 /nfs/dbraw/zinc/48/85/01/627488501.db2.gz PRIWFGNSYOWEBH-UHFFFAOYSA-N 1 0 278.440 3.390 20 10 CGCDRO CC1([NH2+]Cc2ccc3c(c2)CCO3)Cc2ccccc2C1 ZINC000768662186 627491470 /nfs/dbraw/zinc/49/14/70/627491470.db2.gz TVTMTVIMFCQJLR-UHFFFAOYSA-N 1 0 279.383 3.269 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCc1ccccc1 ZINC000768689669 627493437 /nfs/dbraw/zinc/49/34/37/627493437.db2.gz LIURCNUQRYRNEZ-UHFFFAOYSA-N 1 0 268.404 3.393 20 10 CGCDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000769448548 627553292 /nfs/dbraw/zinc/55/32/92/627553292.db2.gz ULERGGPDSMODHS-NVXWUHKLSA-N 1 0 288.435 3.144 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@@H](C)C[C@H]2CC)c1 ZINC000769447739 627553411 /nfs/dbraw/zinc/55/34/11/627553411.db2.gz KHVRSLAIPMZRAS-GXTWGEPZSA-N 1 0 263.381 3.411 20 10 CGCDRO CC[C@@H]1CCC[N@H+](Cc2c(O)cccc2OC)CC1 ZINC000769463189 627555689 /nfs/dbraw/zinc/55/56/89/627555689.db2.gz NYCFWNBWVXQFRH-CYBMUJFWSA-N 1 0 263.381 3.413 20 10 CGCDRO [O-]c1c(Br)cccc1C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000769515344 627561795 /nfs/dbraw/zinc/56/17/95/627561795.db2.gz OJYOUCLGHTUMQT-LLVKDONJSA-N 1 0 296.208 3.387 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)CCOCc2ccccc2)cc1 ZINC000770306757 627612452 /nfs/dbraw/zinc/61/24/52/627612452.db2.gz PXVQCRUADAIHFT-UHFFFAOYSA-N 1 0 298.430 3.401 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000771940804 627747929 /nfs/dbraw/zinc/74/79/29/627747929.db2.gz WOYBPTQZGYSRRO-OAHLLOKOSA-N 1 0 269.344 3.348 20 10 CGCDRO Cc1cc(C[NH2+][C@H](C)c2cncc(F)c2)ccc1N(C)C ZINC000773001936 627840248 /nfs/dbraw/zinc/84/02/48/627840248.db2.gz UMYBDXHWIUZIRA-CYBMUJFWSA-N 1 0 287.382 3.446 20 10 CGCDRO CC[C@H](O)CCC[NH2+][C@@H](C)c1ccc(N(C)CC)cc1 ZINC000773012945 627842756 /nfs/dbraw/zinc/84/27/56/627842756.db2.gz FDLSFHMDAMICKF-YOEHRIQHSA-N 1 0 278.440 3.344 20 10 CGCDRO Cc1ncc(CC[NH2+][C@H](C)c2ccc(N(C)C)cc2)s1 ZINC000773080912 627851848 /nfs/dbraw/zinc/85/18/48/627851848.db2.gz IVFYXHBPQJQOJL-GFCCVEGCSA-N 1 0 289.448 3.411 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@H](C)C[C@H]2[C@@H](C)O)cc1 ZINC000773888879 627924793 /nfs/dbraw/zinc/92/47/93/627924793.db2.gz RVAYNOSHKBVUNE-DAYGRLMNSA-N 1 0 290.451 3.124 20 10 CGCDRO CC[C@@H](O)CC[NH2+][C@@H](CC)c1cc(Cl)ccc1O ZINC000775513982 628102496 /nfs/dbraw/zinc/10/24/96/628102496.db2.gz PTTFPOZYOBIUOV-YPMHNXCESA-N 1 0 271.788 3.247 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cc(C)ncn1)c1cc(Cl)ccc1O ZINC000775522963 628103513 /nfs/dbraw/zinc/10/35/13/628103513.db2.gz CWQGKMUXXTUUQI-CQSZACIVSA-N 1 0 291.782 3.385 20 10 CGCDRO CC[C@@]1(C)COCC[N@@H+]1Cc1cc(C)c(C)cc1O ZINC000775982003 628155698 /nfs/dbraw/zinc/15/56/98/628155698.db2.gz XDUAHLYGLODNQR-INIZCTEOSA-N 1 0 263.381 3.010 20 10 CGCDRO CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)C1(C)C ZINC000776167039 628174584 /nfs/dbraw/zinc/17/45/84/628174584.db2.gz JLHPNKHTJBPLIZ-OSRSDYAFSA-N 1 0 290.451 3.463 20 10 CGCDRO COc1ccc(O)c(C[NH2+]CCc2ccc(C)cc2)c1 ZINC000776175304 628176938 /nfs/dbraw/zinc/17/69/38/628176938.db2.gz OOBRUKHWYMUYKD-UHFFFAOYSA-N 1 0 271.360 3.042 20 10 CGCDRO C[C@H]1c2ccccc2OCC[N@H+]1Cc1ccccc1O ZINC000779000690 628382492 /nfs/dbraw/zinc/38/24/92/628382492.db2.gz ZEUWWRIQVNJUJN-ZDUSSCGKSA-N 1 0 269.344 3.348 20 10 CGCDRO CC(C)(C)OC(=O)CCCC[NH2+]Cc1cc(F)ccc1O ZINC000779108002 628389432 /nfs/dbraw/zinc/38/94/32/628389432.db2.gz WIRQKNSHUZBFND-UHFFFAOYSA-N 1 0 297.370 3.133 20 10 CGCDRO Cc1cc(Cl)cc(C[N@H+](C)C[C@@H]2CCCC[C@@H]2O)c1O ZINC000779153002 628390851 /nfs/dbraw/zinc/39/08/51/628390851.db2.gz IZRGBYPDZUBUQH-WFASDCNBSA-N 1 0 297.826 3.337 20 10 CGCDRO CCOC(C)(C)C[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000783313430 628703261 /nfs/dbraw/zinc/70/32/61/628703261.db2.gz RDAXMPDQKLJZLZ-CMPLNLGQSA-N 1 0 281.371 3.484 20 10 CGCDRO C[C@H]([NH2+]C[C@@]1(O)CCCc2ccccc21)c1ccccc1O ZINC000783511051 628719735 /nfs/dbraw/zinc/71/97/35/628719735.db2.gz WVKGUAJLOLYPNT-LIRRHRJNSA-N 1 0 297.398 3.267 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](C)c2ccccc2O)c(F)c1 ZINC000783516079 628719877 /nfs/dbraw/zinc/71/98/77/628719877.db2.gz AUKFCVZXADTSTG-NSHDSACASA-N 1 0 275.323 3.391 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)CC[C@H]2CCOC2)cc1 ZINC000783514182 628720199 /nfs/dbraw/zinc/72/01/99/628720199.db2.gz KIVCREMHFRPDNL-KRWDZBQOSA-N 1 0 290.451 3.391 20 10 CGCDRO CCC[N@H+](CC[C@@H]1CCOC1)Cc1ccccc1O ZINC000783554644 628724963 /nfs/dbraw/zinc/72/49/63/628724963.db2.gz DBCZQEOCSJJNRE-CQSZACIVSA-N 1 0 263.381 3.031 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCOCC3(CC3)C2)cc1 ZINC000783600083 628730346 /nfs/dbraw/zinc/73/03/46/628730346.db2.gz VCWDKYQTXHUOBE-UHFFFAOYSA-N 1 0 288.435 3.145 20 10 CGCDRO CC(C)(C)OC1CC([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000784679170 628829265 /nfs/dbraw/zinc/82/92/65/628829265.db2.gz SJPYMRPXQKSYBZ-UHFFFAOYSA-N 1 0 283.799 3.481 20 10 CGCDRO CCOc1ccc(C[NH2+]CC2(SC)CCC2)c(O)c1 ZINC000788524004 628857690 /nfs/dbraw/zinc/85/76/90/628857690.db2.gz JWSHUSVOXCPSIR-UHFFFAOYSA-N 1 0 281.421 3.166 20 10 CGCDRO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000785988324 628905798 /nfs/dbraw/zinc/90/57/98/628905798.db2.gz LDHGCYRJTZTLAG-JTNHKYCSSA-N 1 0 283.799 3.027 20 10 CGCDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccccc1O ZINC000786814374 628965401 /nfs/dbraw/zinc/96/54/01/628965401.db2.gz VXHRCUGUACCDGQ-LCYFTJDESA-N 1 0 298.342 3.494 20 10 CGCDRO CO[C@@H](CC[NH2+][C@@H](C)c1cc(F)ccc1O)C(F)(F)F ZINC000786950841 628972455 /nfs/dbraw/zinc/97/24/55/628972455.db2.gz RQWVDLGDDCGQFW-UFBFGSQYSA-N 1 0 295.276 3.149 20 10 CGCDRO CC[C@H]([NH2+]CCc1cncn1C)c1cc(Cl)ccc1O ZINC000788255381 629043077 /nfs/dbraw/zinc/04/30/77/629043077.db2.gz HOBOEGSTMCFTQX-AWEZNQCLSA-N 1 0 293.798 3.063 20 10 CGCDRO C[C@@]1(CO)CCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000789558528 629145237 /nfs/dbraw/zinc/14/52/37/629145237.db2.gz XOYRRUMBPPOQOV-SFHVURJKSA-N 1 0 288.435 3.024 20 10 CGCDRO CC[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000125512191 634716099 /nfs/dbraw/zinc/71/60/99/634716099.db2.gz QABUBOYMEHCACL-GOSISDBHSA-N 1 0 288.435 3.288 20 10 CGCDRO Cc1[nH+]ccc(NCc2ccc(N(C)C)c(F)c2)c1Cl ZINC000792688301 629375692 /nfs/dbraw/zinc/37/56/92/629375692.db2.gz DKNIIRPYHQXQLJ-UHFFFAOYSA-N 1 0 293.773 3.283 20 10 CGCDRO COc1cccc(O)c1C[N@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000862443977 629376561 /nfs/dbraw/zinc/37/65/61/629376561.db2.gz RLMXQRAYGGUSLT-PHIMTYICSA-N 1 0 285.334 3.124 20 10 CGCDRO CC[N@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792779108 629381371 /nfs/dbraw/zinc/38/13/71/629381371.db2.gz ZZPAWRHGZGCXAV-UHFFFAOYSA-N 1 0 260.303 3.223 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)c1 ZINC000862473049 629383589 /nfs/dbraw/zinc/38/35/89/629383589.db2.gz BRUJHQMJECGVFL-CABCVRRESA-N 1 0 293.432 3.261 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)c1 ZINC000862473270 629384267 /nfs/dbraw/zinc/38/42/67/629384267.db2.gz MBCGVICOMOXTFT-KGLIPLIRSA-N 1 0 263.406 3.171 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)c1O ZINC000862530239 629392210 /nfs/dbraw/zinc/39/22/10/629392210.db2.gz XHJUYUFVIDLJFU-UONOGXRCSA-N 1 0 281.783 3.011 20 10 CGCDRO CCC(O)(CC)C[N@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000862539182 629394855 /nfs/dbraw/zinc/39/48/55/629394855.db2.gz IXEHYLWIDYOCBN-CMDGGOBGSA-N 1 0 290.451 3.249 20 10 CGCDRO CCOc1ccc(C[NH+]2CCC(F)(F)CC2)c(O)c1 ZINC000793362914 629447690 /nfs/dbraw/zinc/44/76/90/629447690.db2.gz XXNJQRVDOKKPHJ-UHFFFAOYSA-N 1 0 271.307 3.022 20 10 CGCDRO CN(C)c1ccc(C[NH+]2CCC(F)(F)CC2)cc1F ZINC000793359448 629448010 /nfs/dbraw/zinc/44/80/10/629448010.db2.gz MKHRPEYAAGVWLB-UHFFFAOYSA-N 1 0 272.314 3.123 20 10 CGCDRO COc1cc(O)c(C[NH2+]CC2C(C)(C)C2(C)C)cc1OC ZINC000793371260 629449983 /nfs/dbraw/zinc/44/99/83/629449983.db2.gz DHKVCBHYEKXQPH-UHFFFAOYSA-N 1 0 293.407 3.181 20 10 CGCDRO CC[C@H]([NH2+]CCN1CCC[C@@H]1C)c1ccc(C)cc1O ZINC000794804929 629578979 /nfs/dbraw/zinc/57/89/79/629578979.db2.gz WHLJLXVRBCUMGU-HOCLYGCPSA-N 1 0 276.424 3.226 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@H+]2C[C@@H](N3CCCC3)C[C@H]2C)c1 ZINC000795705962 629710772 /nfs/dbraw/zinc/71/07/72/629710772.db2.gz JQVSRQRFADCZHS-WBVHZDCISA-N 1 0 288.435 3.068 20 10 CGCDRO C[C@@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000796384170 629774428 /nfs/dbraw/zinc/77/44/28/629774428.db2.gz MFTUCEVJPLDEOL-QAPCUYQASA-N 1 0 290.451 3.268 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1ccc(F)cc1[O-] ZINC000796693794 629815850 /nfs/dbraw/zinc/81/58/50/629815850.db2.gz JGKZOBNLFUMFCJ-XJKSGUPXSA-N 1 0 294.414 3.304 20 10 CGCDRO CC1=C[C@H](C)C[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000797416157 629944855 /nfs/dbraw/zinc/94/48/55/629944855.db2.gz GZPGBBRKJBXGSY-LBPRGKRZSA-N 1 0 257.377 3.279 20 10 CGCDRO CC1=C[C@@H](C)C[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000797605707 629970249 /nfs/dbraw/zinc/97/02/49/629970249.db2.gz VDSXMQNOOBMENK-SNVBAGLBSA-N 1 0 251.757 3.444 20 10 CGCDRO OC[C@H](C[NH2+]Cc1c(O)cccc1Cl)CC1CCCC1 ZINC000798503573 630060451 /nfs/dbraw/zinc/06/04/51/630060451.db2.gz KGLRIDGJZJLIQO-ZDUSSCGKSA-N 1 0 297.826 3.324 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H]2CCC[C@@H]2C)c1 ZINC000798503351 630060720 /nfs/dbraw/zinc/06/07/20/630060720.db2.gz IKIIWENCSUJBTQ-STQMWFEESA-N 1 0 263.381 3.317 20 10 CGCDRO FC(F)c1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)cn1 ZINC000865440578 630125591 /nfs/dbraw/zinc/12/55/91/630125591.db2.gz JUABFGGJATUXGV-UHFFFAOYSA-N 1 0 290.313 3.244 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](CCO)Cc2ccccc2)cc1C ZINC000799349701 630173856 /nfs/dbraw/zinc/17/38/56/630173856.db2.gz JLWCOZVKJSTWHZ-SFHVURJKSA-N 1 0 299.414 3.087 20 10 CGCDRO Cc1cccc(C[N@@H+](C)Cc2cnc(C(C)C)nc2)c1O ZINC000799736673 630228590 /nfs/dbraw/zinc/22/85/90/630228590.db2.gz CFHXJKGUCZIWHK-UHFFFAOYSA-N 1 0 285.391 3.246 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](CO)CC(F)F)c1O ZINC000808715498 630296846 /nfs/dbraw/zinc/29/68/46/630296846.db2.gz GXZNSXOGTBQFKU-WCBMZHEXSA-N 1 0 293.741 3.021 20 10 CGCDRO CCOc1cccc(C[NH2+]CC(C)(C)C(F)(F)F)c1O ZINC000800888399 630309349 /nfs/dbraw/zinc/30/93/49/630309349.db2.gz BJKLXGZESCRPTI-UHFFFAOYSA-N 1 0 291.313 3.469 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H]2CCc3ccccc3OC2)c1 ZINC000800889283 630309395 /nfs/dbraw/zinc/30/93/95/630309395.db2.gz MMYFGVBYEYOQMN-INIZCTEOSA-N 1 0 283.371 3.184 20 10 CGCDRO CCCC[N@H+](CCC[C@@H](C)O)Cc1ccccc1O ZINC000801595154 630346507 /nfs/dbraw/zinc/34/65/07/630346507.db2.gz WNQFDIVJCBLEKG-CQSZACIVSA-N 1 0 265.397 3.155 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+]CCCOC(F)F)c1O ZINC000802656899 630401853 /nfs/dbraw/zinc/40/18/53/630401853.db2.gz RWONHVFAFJVQPF-UHFFFAOYSA-N 1 0 279.714 3.073 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](C)N(C)C2CC2)c1O ZINC000808693143 630665001 /nfs/dbraw/zinc/66/50/01/630665001.db2.gz VXHLKVVQEIOZBA-NWDGAFQWSA-N 1 0 296.842 3.487 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CC2(C)COC2)c1O ZINC000808695351 630665643 /nfs/dbraw/zinc/66/56/43/630665643.db2.gz MHVWCIBFEQMITG-JTQLQIEISA-N 1 0 269.772 3.041 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@]2(C)CCOC2)c1O ZINC000808696793 630665970 /nfs/dbraw/zinc/66/59/70/630665970.db2.gz WNBGSURWXFLDNY-ABAIWWIYSA-N 1 0 283.799 3.431 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](O)c2ccccc2)c(O)c1 ZINC000808720993 630670394 /nfs/dbraw/zinc/67/03/94/630670394.db2.gz FYIMWINAFPOUKQ-PMUMKWKESA-N 1 0 285.387 3.473 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000809728887 630792818 /nfs/dbraw/zinc/79/28/18/630792818.db2.gz KMHMRXJCODKGSZ-OAHLLOKOSA-N 1 0 284.359 3.133 20 10 CGCDRO Cc1cccc(CN(CC[NH+](C)C)Cc2ccccc2O)c1 ZINC000809741147 630796780 /nfs/dbraw/zinc/79/67/80/630796780.db2.gz KROBUOIIKUTHTD-UHFFFAOYSA-N 1 0 298.430 3.264 20 10 CGCDRO CCCN(CC)C[C@@H](C)[NH2+]Cc1cc(Cl)ccc1O ZINC000810180387 630850697 /nfs/dbraw/zinc/85/06/97/630850697.db2.gz WNWQLPDANFSYPK-GFCCVEGCSA-N 1 0 284.831 3.256 20 10 CGCDRO CC[C@@H]([NH2+]CC[C@H](C)O)c1ccc(C(F)(F)F)cc1O ZINC000810219504 630855988 /nfs/dbraw/zinc/85/59/88/630855988.db2.gz SZEATVVYFHUIIJ-JOYOIKCWSA-N 1 0 291.313 3.223 20 10 CGCDRO CCCCN(C)C[C@@H](C)[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000810244868 630859242 /nfs/dbraw/zinc/85/92/42/630859242.db2.gz JEVCYNIQCNXNHF-CABCVRRESA-N 1 0 278.440 3.472 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)[C@@H](C)OC)c1ccc(N(C)C)cc1 ZINC000810256475 630860023 /nfs/dbraw/zinc/86/00/23/630860023.db2.gz ADTXNLHCMZMTBS-IOASZLSFSA-N 1 0 264.413 3.217 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+][C@H](CO)C2CCCC2)c2c1c(F)ccc2O ZINC000810259900 630861230 /nfs/dbraw/zinc/86/12/30/630861230.db2.gz WPBZQGFYBTXHMZ-LERXQTSPSA-N 1 0 293.382 3.220 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CC(C)(C)[C@H]2C2CC2)c1O ZINC000811513602 631081541 /nfs/dbraw/zinc/08/15/41/631081541.db2.gz LCLQFGDQIWOVJX-MRXNPFEDSA-N 1 0 275.392 3.411 20 10 CGCDRO Cc1cc(NCCc2ccc(O)c(O)c2)c2ccccc2[nH+]1 ZINC000811810887 631121772 /nfs/dbraw/zinc/12/17/72/631121772.db2.gz HGTMOOUJRDRZFF-UHFFFAOYSA-N 1 0 294.354 3.031 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](n3cccn3)C2)cc1C(C)C ZINC000812294518 631236237 /nfs/dbraw/zinc/23/62/37/631236237.db2.gz OXTUQPGULBZZFX-INIZCTEOSA-N 1 0 299.418 3.468 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc3cnn(C)c3c2)c(O)c1 ZINC000812736760 631300067 /nfs/dbraw/zinc/30/00/67/631300067.db2.gz COGUJFBULSCBLZ-ZDUSSCGKSA-N 1 0 295.386 3.438 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2ccccc2O)Cc2ccccc2O1 ZINC000814177611 631538361 /nfs/dbraw/zinc/53/83/61/631538361.db2.gz IJRWROUDVGVMJE-CYBMUJFWSA-N 1 0 269.344 3.175 20 10 CGCDRO Cc1cc(C[N@H+](C)C[C@H]2CCCC[C@@H]2O)ccc1N(C)C ZINC000815087743 631714257 /nfs/dbraw/zinc/71/42/57/631714257.db2.gz NMSPNIAGZKVPMR-AEFFLSMTSA-N 1 0 290.451 3.044 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCSCC[C@@H]2C)cc1 ZINC000815101162 631717559 /nfs/dbraw/zinc/71/75/59/631717559.db2.gz PFYASCOJUNIYOY-AWEZNQCLSA-N 1 0 278.465 3.470 20 10 CGCDRO CC[C@H](C[NH2+][C@@H](C)c1c(C)cc(C)cc1O)OC ZINC000815628010 631808554 /nfs/dbraw/zinc/80/85/54/631808554.db2.gz PBJWBDUBXJYXJU-QWHCGFSZSA-N 1 0 251.370 3.085 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2cc[nH]c(=O)c2)c1 ZINC000815643050 631811666 /nfs/dbraw/zinc/81/16/66/631811666.db2.gz RWQQQRQDSSDRNQ-VXGBXAGGSA-N 1 0 272.348 3.213 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F)C(C)(C)O ZINC000815652280 631814119 /nfs/dbraw/zinc/81/41/19/631814119.db2.gz WGOIZLNWWCFNTK-XWIASGKRSA-N 1 0 281.371 3.219 20 10 CGCDRO CO[C@H](C)CC[NH2+]Cc1ccc2ccccc2c1O ZINC000816545534 632007365 /nfs/dbraw/zinc/00/73/65/632007365.db2.gz UMMDSVQSXPZUGL-GFCCVEGCSA-N 1 0 259.349 3.060 20 10 CGCDRO COc1cc(C[NH2+]Cc2ccc3ccccc3c2O)ccn1 ZINC000816548183 632007754 /nfs/dbraw/zinc/00/77/54/632007754.db2.gz YTZPAJXIMCKKNY-UHFFFAOYSA-N 1 0 294.354 3.239 20 10 CGCDRO Oc1c(C[NH2+]CCc2ccncc2)ccc2ccccc21 ZINC000816556410 632011452 /nfs/dbraw/zinc/01/14/52/632011452.db2.gz IIWCSSHMJLDMGF-UHFFFAOYSA-N 1 0 278.355 3.273 20 10 CGCDRO Oc1c(C[NH2+]CCNc2ccccn2)ccc2ccccc21 ZINC000816562827 632013281 /nfs/dbraw/zinc/01/32/81/632013281.db2.gz AOXJTHNQXZYTLC-UHFFFAOYSA-N 1 0 293.370 3.142 20 10 CGCDRO Cc1cc(O)c(C[N@H+](C)C[C@H](O)Cc2ccccc2)cc1C ZINC000816624678 632027044 /nfs/dbraw/zinc/02/70/44/632027044.db2.gz CVANQAUGVNBEKI-GOSISDBHSA-N 1 0 299.414 3.044 20 10 CGCDRO Cc1cc(C[N@@H+]2CCC[C@H](CCO)CC2)ccc1N(C)C ZINC000817297629 632117023 /nfs/dbraw/zinc/11/70/23/632117023.db2.gz TZCCVCGUDJRAEO-INIZCTEOSA-N 1 0 290.451 3.046 20 10 CGCDRO CC[C@H]([NH2+]CCCC1(O)CCC1)c1ccccc1O ZINC000817413861 632143325 /nfs/dbraw/zinc/14/33/25/632143325.db2.gz BQWBOVXSUDVHCG-AWEZNQCLSA-N 1 0 263.381 3.128 20 10 CGCDRO Oc1ccccc1[C@H](CCc1ccccc1)N[C@@H]1CC[NH2+]C1 ZINC000817944622 632242194 /nfs/dbraw/zinc/24/21/94/632242194.db2.gz IKYUPIZZHKIBIL-AEFFLSMTSA-N 1 0 296.414 3.018 20 10 CGCDRO C[C@H](NC[C@H]1CCCC[NH2+]1)c1ccc2ccccc2c1O ZINC000817948806 632245532 /nfs/dbraw/zinc/24/55/32/632245532.db2.gz DLKZSGJSONAKGM-DZGCQCFKSA-N 1 0 284.403 3.338 20 10 CGCDRO C[C@@H]([NH2+]CC[C@H](C)[NH3+])c1ccc(Cl)c(Cl)c1[O-] ZINC000817953447 632248782 /nfs/dbraw/zinc/24/87/82/632248782.db2.gz OWSXDFLBOWCXJK-JGVFFNPUSA-N 1 0 277.195 3.087 20 10 CGCDRO CCO[C@@H]1C[C@@H]([NH2+]CCc2ccc(N)cc2)C12CCCC2 ZINC000817956823 632252228 /nfs/dbraw/zinc/25/22/28/632252228.db2.gz DOADEVIOYARFJJ-IAGOWNOFSA-N 1 0 288.435 3.139 20 10 CGCDRO Nc1ccc(CC[NH2+][C@H]2CCCc3occc32)cc1 ZINC000817957746 632252300 /nfs/dbraw/zinc/25/23/00/632252300.db2.gz PBMOUHWHPUYMFW-HNNXBMFYSA-N 1 0 256.349 3.072 20 10 CGCDRO CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000817959466 632254756 /nfs/dbraw/zinc/25/47/56/632254756.db2.gz RNFGHVYQRCZRIY-QPUJVOFHSA-N 1 0 291.222 3.333 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](CN)C2CCCCC2)c1 ZINC000817958943 632254942 /nfs/dbraw/zinc/25/49/42/632254942.db2.gz NDVDIFDORSTBAN-BBRMVZONSA-N 1 0 276.424 3.259 20 10 CGCDRO C[C@@H]([NH2+][C@@H](CN)C1CC1)c1ccc(N2CCCCC2)cc1 ZINC000817960594 632256005 /nfs/dbraw/zinc/25/60/05/632256005.db2.gz OAPNFNNBXFGDMZ-KDOFPFPSSA-N 1 0 287.451 3.065 20 10 CGCDRO CCCC[C@H](CN)[NH2+][C@@H](C)c1ccc(N(C)CC)cc1 ZINC000817962830 632258921 /nfs/dbraw/zinc/25/89/21/632258921.db2.gz LJGMYAHEBUVQOO-GOEBONIOSA-N 1 0 277.456 3.311 20 10 CGCDRO C[C@@H]([NH3+])CN[C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000817970584 632264828 /nfs/dbraw/zinc/26/48/28/632264828.db2.gz ALDRPJQIYRDMNE-CABCVRRESA-N 1 0 275.440 3.065 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1cc(F)cc(F)c1[O-] ZINC000817974831 632266365 /nfs/dbraw/zinc/26/63/65/632266365.db2.gz FWAZQWOMHGIEAU-SRVKXCTJSA-N 1 0 298.377 3.086 20 10 CGCDRO CC[C@@H]([NH2+][C@H](C)CCCC[NH3+])c1ccc(F)cc1[O-] ZINC000817976737 632267799 /nfs/dbraw/zinc/26/77/99/632267799.db2.gz SSJPHMCYBPLQBS-BXUZGUMPSA-N 1 0 268.376 3.090 20 10 CGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCC[C@@H]3C)C2)cc1 ZINC000818222893 632298891 /nfs/dbraw/zinc/29/88/91/632298891.db2.gz XTHTUJZIQXCOHU-HDMKZQKVSA-N 1 0 288.435 3.300 20 10 CGCDRO CC[C@H](C)C[NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818220995 632299276 /nfs/dbraw/zinc/29/92/76/632299276.db2.gz KGVCAXZWRMZINH-LSDHHAIUSA-N 1 0 276.424 3.157 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000818230031 632299903 /nfs/dbraw/zinc/29/99/03/632299903.db2.gz MUGSTKKPANWDJH-GXFFZTMASA-N 1 0 251.757 3.324 20 10 CGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)C3CCC3)C2)cc1 ZINC000818345622 632311751 /nfs/dbraw/zinc/31/17/51/632311751.db2.gz WOZDNGCJZSNEKX-LSDHHAIUSA-N 1 0 288.435 3.300 20 10 CGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)C[C@@](C)(OC)C1CC1 ZINC000820851845 632687791 /nfs/dbraw/zinc/68/77/91/632687791.db2.gz TVIHLQGEHSWVFL-GOSISDBHSA-N 1 0 290.451 3.390 20 10 CGCDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2C[C@H]2C(F)(F)F)cc1F ZINC000865752732 632878733 /nfs/dbraw/zinc/87/87/33/632878733.db2.gz BHGPXXQHBRPTBG-LDYMZIIASA-N 1 0 294.267 3.071 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H]2C[C@@]2(F)c2ccccc2)c1 ZINC000822497824 632949292 /nfs/dbraw/zinc/94/92/92/632949292.db2.gz MCHHHNFRGWZJKQ-IAGOWNOFSA-N 1 0 287.334 3.128 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCc3ncccc32)cc1 ZINC000866217995 633032378 /nfs/dbraw/zinc/03/23/78/633032378.db2.gz JWOJSWUGTRDYGC-GOSISDBHSA-N 1 0 281.403 3.315 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)[C@@H](O)C(F)(F)F)c1ccc(C)cc1O ZINC000866464578 633146105 /nfs/dbraw/zinc/14/61/05/633146105.db2.gz XAJNIWMSDGJPHS-XHVZSJERSA-N 1 0 291.313 3.053 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccnc(F)c2)c(O)c1 ZINC000866475371 633149490 /nfs/dbraw/zinc/14/94/90/633149490.db2.gz XIIDBGNLMDQORL-GFCCVEGCSA-N 1 0 274.339 3.394 20 10 CGCDRO CC[C@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)cc2C)CCO1 ZINC000823851710 633158650 /nfs/dbraw/zinc/15/86/50/633158650.db2.gz XBRRLWXLHNQYFY-RDJZCZTQSA-N 1 0 276.424 3.108 20 10 CGCDRO C[C@H]([NH2+][C@@H](C1CCC1)[C@@H]1CCCO1)c1ccccc1O ZINC000866491758 633159451 /nfs/dbraw/zinc/15/94/51/633159451.db2.gz XZHUVAJLAJPWEG-ZLIFDBKOSA-N 1 0 275.392 3.391 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2C[C@H]2C(F)(F)F)c1 ZINC000866499045 633161200 /nfs/dbraw/zinc/16/12/00/633161200.db2.gz DGQQLAUOICXGIK-AVPPRXQKSA-N 1 0 275.270 3.002 20 10 CGCDRO CC[C@H](C[C@H](C)O)[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000866636160 633224356 /nfs/dbraw/zinc/22/43/56/633224356.db2.gz WYHJUGFVGGFIIP-KQXIARHKSA-N 1 0 281.371 3.219 20 10 CGCDRO C[C@H](CCO)CC[NH2+]Cc1ccc2ccccc2c1O ZINC000824516621 633253041 /nfs/dbraw/zinc/25/30/41/633253041.db2.gz MQZGCTUGMURHFG-ZDUSSCGKSA-N 1 0 273.376 3.044 20 10 CGCDRO CO[C@H](C[NH2+]Cc1cccc(C)c1O)Cc1ccccc1 ZINC000824590534 633262098 /nfs/dbraw/zinc/26/20/98/633262098.db2.gz OIWSVUBOQNERQY-KRWDZBQOSA-N 1 0 285.387 3.048 20 10 CGCDRO CCOCc1cc(C[NH2+]C[C@@](C)(CC)OC)ccc1OC ZINC000824743635 633281588 /nfs/dbraw/zinc/28/15/88/633281588.db2.gz JVNNFIJQTMYBND-QGZVFWFLSA-N 1 0 295.423 3.136 20 10 CGCDRO CO[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2O)C[C@H]1C ZINC000824820934 633296168 /nfs/dbraw/zinc/29/61/68/633296168.db2.gz RCRBGGUYUOLQQJ-CXAGYDPISA-N 1 0 285.387 3.402 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H](C(C)C)[C@H](CO)C(C)C)c1O ZINC000824845029 633300072 /nfs/dbraw/zinc/30/00/72/633300072.db2.gz GUILUOSZSXVOGC-CVEARBPZSA-N 1 0 279.424 3.079 20 10 CGCDRO CCC[C@H](C)[N@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876582532 634862329 /nfs/dbraw/zinc/86/23/29/634862329.db2.gz RELVKMJZWGMZII-HNNXBMFYSA-N 1 0 290.451 3.268 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCSC[C@H]2C2CC2)c1 ZINC000824914369 633305161 /nfs/dbraw/zinc/30/51/61/633305161.db2.gz QYRQCJPNDIPEQD-AWEZNQCLSA-N 1 0 263.406 3.028 20 10 CGCDRO CCOc1cccc(C[N@@H+]2C[C@H](C3CC3)[C@@H]2C2CC2)c1O ZINC000824941451 633308996 /nfs/dbraw/zinc/30/89/96/633308996.db2.gz NQUFTNHGAWBSJT-WBVHZDCISA-N 1 0 287.403 3.411 20 10 CGCDRO Cc1ccc(F)c(CC[NH2+]Cc2cccc(C)c2O)c1 ZINC000824977651 633313488 /nfs/dbraw/zinc/31/34/88/633313488.db2.gz NTOUXMUGYVWRIN-UHFFFAOYSA-N 1 0 273.351 3.480 20 10 CGCDRO CCn1ccnc1[C@@H](C)[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000825005360 633316298 /nfs/dbraw/zinc/31/62/98/633316298.db2.gz IITDEZSETVRGDK-VXGBXAGGSA-N 1 0 289.379 3.029 20 10 CGCDRO COc1ccc(C[NH2+]C2CCc3ccccc3CC2)c(O)c1 ZINC000825045601 633321879 /nfs/dbraw/zinc/32/18/79/633321879.db2.gz HRNBGIROIMBKKD-UHFFFAOYSA-N 1 0 297.398 3.438 20 10 CGCDRO Cc1nccn1CCC[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825124988 633330721 /nfs/dbraw/zinc/33/07/21/633330721.db2.gz CAAMFHCRIYXIIR-UHFFFAOYSA-N 1 0 293.798 3.039 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C2CCC(OC(F)F)CC2)cc1 ZINC000825144819 633332174 /nfs/dbraw/zinc/33/21/74/633332174.db2.gz RPHUPNIOORNYCV-UHFFFAOYSA-N 1 0 298.377 3.393 20 10 CGCDRO CCOc1ccc(C[NH2+]Cc2cnc(C)cc2C)c(O)c1 ZINC000825221769 633336576 /nfs/dbraw/zinc/33/65/76/633336576.db2.gz ZYIRSMAVDAPLMI-UHFFFAOYSA-N 1 0 286.375 3.093 20 10 CGCDRO Cc1noc(C)c1CC[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825233928 633338303 /nfs/dbraw/zinc/33/83/03/633338303.db2.gz JOESGOXXESGWFT-UHFFFAOYSA-N 1 0 294.782 3.291 20 10 CGCDRO Cc1ccc([C@H](O)C[NH2+]Cc2cc(Cl)c(C)cc2O)o1 ZINC000825304447 633343598 /nfs/dbraw/zinc/34/35/98/633343598.db2.gz XZALATZFSKAEEJ-CQSZACIVSA-N 1 0 295.766 3.079 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@H](CCO)CC(C)C)cc1Cl ZINC000825320596 633344430 /nfs/dbraw/zinc/34/44/30/633344430.db2.gz NBYVSFKBTPBQBE-CYBMUJFWSA-N 1 0 299.842 3.488 20 10 CGCDRO CC[C@@H](C[C@H](C)CO)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825316577 633344751 /nfs/dbraw/zinc/34/47/51/633344751.db2.gz XFNSESVHHYLRGA-GWCFXTLKSA-N 1 0 285.815 3.241 20 10 CGCDRO CC[C@@H]([NH2+]CCN1CCCC1(C)C)c1ccccc1O ZINC000825332060 633346917 /nfs/dbraw/zinc/34/69/17/633346917.db2.gz QLFBJJVFFQUMOP-OAHLLOKOSA-N 1 0 276.424 3.307 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)cc1Cl ZINC000825338056 633347350 /nfs/dbraw/zinc/34/73/50/633347350.db2.gz RLSYRNGJYPBXLH-BJJXKVORSA-N 1 0 295.810 3.401 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](CCCO)C2)cc1 ZINC000825338858 633347387 /nfs/dbraw/zinc/34/73/87/633347387.db2.gz VWYKAUBBVYDHOC-MRXNPFEDSA-N 1 0 290.451 3.127 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H](C)C[C@@H]2CCOC2)cc1Cl ZINC000825347084 633347859 /nfs/dbraw/zinc/34/78/59/633347859.db2.gz IROGXKBTZXZONW-RYUDHWBXSA-N 1 0 283.799 3.259 20 10 CGCDRO CS[C@H]1CC[N@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000826049056 633400371 /nfs/dbraw/zinc/40/03/71/633400371.db2.gz OEYGJYOSHNUFNR-NSHDSACASA-N 1 0 271.813 3.291 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCC[C@H]2CCOC2)cc1Cl ZINC000826096722 633405470 /nfs/dbraw/zinc/40/54/70/633405470.db2.gz ASZSEEYBXUXBJA-LBPRGKRZSA-N 1 0 283.799 3.260 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cc(Cl)c(C)cc1O)[C@H](O)C(C)C ZINC000826121234 633406635 /nfs/dbraw/zinc/40/66/35/633406635.db2.gz NXBILHISRXSGFA-UKRRQHHQSA-N 1 0 285.815 3.239 20 10 CGCDRO CC[C@H]1C[C@H]([NH2+]Cc2cc(Cl)c(C)cc2O)CCO1 ZINC000826130521 633407942 /nfs/dbraw/zinc/40/79/42/633407942.db2.gz JDZDNNDCNUAZTC-OLZOCXBDSA-N 1 0 283.799 3.401 20 10 CGCDRO COCC1([NH2+]Cc2cc(Cl)cc(OC)c2O)CCCC1 ZINC000826834199 633436330 /nfs/dbraw/zinc/43/63/30/633436330.db2.gz NQCRUHAZTNXTAO-UHFFFAOYSA-N 1 0 299.798 3.103 20 10 CGCDRO COCC1([NH2+]Cc2ccc(N(C)C)cc2C)CCCC1 ZINC000826833527 633436467 /nfs/dbraw/zinc/43/64/67/633436467.db2.gz DPWJRDRHFIGXBV-UHFFFAOYSA-N 1 0 276.424 3.110 20 10 CGCDRO Cc1cccc(C[NH2+][C@H]2C[C@H](Oc3ccccc3)C2)c1O ZINC000827189688 633469488 /nfs/dbraw/zinc/46/94/88/633469488.db2.gz MMRKMRPWPWBKMM-JCNLHEQBSA-N 1 0 283.371 3.400 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](C)[C@@](C)(O)c2ccccc2)cc1C ZINC000846038545 636134541 /nfs/dbraw/zinc/13/45/41/636134541.db2.gz MURUZVUNALLJPD-HNAYVOBHSA-N 1 0 299.414 3.389 20 10 CGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)c1O ZINC000830586905 633873094 /nfs/dbraw/zinc/87/30/94/633873094.db2.gz YUYJYEIJDXAPTJ-WKPIXPDZSA-N 1 0 277.339 3.012 20 10 CGCDRO CCC[C@H](C)[C@H](CO)[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000846184123 636154765 /nfs/dbraw/zinc/15/47/65/636154765.db2.gz NCSMNZZPLKYQNB-UNJBNNCHSA-N 1 0 295.398 3.466 20 10 CGCDRO CC(C)OC1(C[NH2+][C@@H](C)c2ccccc2O)CCC1 ZINC000872115649 634041450 /nfs/dbraw/zinc/04/14/50/634041450.db2.gz FVCAIZJBHMLTPH-ZDUSSCGKSA-N 1 0 263.381 3.391 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]CCOc1ccc(F)cc1)CC2 ZINC000834534381 634177352 /nfs/dbraw/zinc/17/73/52/634177352.db2.gz NMYIVDWTUGAYAY-OAHLLOKOSA-N 1 0 287.334 3.187 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]CCN1CCc3ccccc31)CC2 ZINC000834544792 634179718 /nfs/dbraw/zinc/17/97/18/634179718.db2.gz QBPRBMCPZVIOIL-MRXNPFEDSA-N 1 0 294.398 3.032 20 10 CGCDRO CO[C@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)cc2C)C12CCC2 ZINC000834590159 634192909 /nfs/dbraw/zinc/19/29/09/634192909.db2.gz RSVPYBBAOXWWMF-IRXDYDNUSA-N 1 0 288.435 3.108 20 10 CGCDRO CCn1ccnc1[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000834589429 634193064 /nfs/dbraw/zinc/19/30/64/634193064.db2.gz JYTUDBNGCSMVSM-CQSZACIVSA-N 1 0 286.423 3.128 20 10 CGCDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834602590 634195569 /nfs/dbraw/zinc/19/55/69/634195569.db2.gz SWRHXZSWQQPBKN-AWEZNQCLSA-N 1 0 298.342 3.120 20 10 CGCDRO CO[C@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)c(C)c2)C12CCC2 ZINC000834654135 634208959 /nfs/dbraw/zinc/20/89/59/634208959.db2.gz JOSFQJCOEQYSNO-IRXDYDNUSA-N 1 0 288.435 3.108 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@H]2CCc3c[nH]nc3C2)cc1C ZINC000873078491 634242840 /nfs/dbraw/zinc/24/28/40/634242840.db2.gz KNQCBKYWQLHVAO-INIZCTEOSA-N 1 0 299.418 3.154 20 10 CGCDRO CC[C@@H]([NH2+]CC[C@H](C)CCO)c1cc(Cl)ccc1O ZINC000834832209 634251507 /nfs/dbraw/zinc/25/15/07/634251507.db2.gz MTMIENNOBGGKKO-SMDDNHRTSA-N 1 0 285.815 3.495 20 10 CGCDRO C[C@H](CCO)CC[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000834831955 634251621 /nfs/dbraw/zinc/25/16/21/634251621.db2.gz LWGHUVSZAKMKCX-DMDPSCGWSA-N 1 0 281.371 3.078 20 10 CGCDRO C[C@H](CCO)CC[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000834831959 634252052 /nfs/dbraw/zinc/25/20/52/634252052.db2.gz LWGHUVSZAKMKCX-GVXVVHGQSA-N 1 0 281.371 3.078 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@H]2CO[C@@H](C)C2)cc1C ZINC000873133975 634254158 /nfs/dbraw/zinc/25/41/58/634254158.db2.gz LZXGWWMNYQBZOD-DZGCQCFKSA-N 1 0 263.381 3.051 20 10 CGCDRO C[C@H](CCCO)C[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000834870122 634259939 /nfs/dbraw/zinc/25/99/39/634259939.db2.gz GHNOVHBQUPGXPC-NQBHXWOUSA-N 1 0 281.371 3.078 20 10 CGCDRO CO[C@@H]1CCC[C@H]1[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000834886095 634267819 /nfs/dbraw/zinc/26/78/19/634267819.db2.gz HIXMRMOWRDLDER-SGESHTKJSA-N 1 0 279.355 3.237 20 10 CGCDRO C[C@H]([NH2+]CCC1(CO)CC1)c1cc2c(cc1O)CCCC2 ZINC000834897587 634274282 /nfs/dbraw/zinc/27/42/82/634274282.db2.gz USFYTIFSGRLEFI-ZDUSSCGKSA-N 1 0 289.419 3.084 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCC[C@H]2CCOC2)c(O)c1 ZINC000834904173 634281187 /nfs/dbraw/zinc/28/11/87/634281187.db2.gz NNAFQESYDYQMBR-CABCVRRESA-N 1 0 277.408 3.476 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)C(C)(C)O)c(O)c1C ZINC000834904808 634281275 /nfs/dbraw/zinc/28/12/75/634281275.db2.gz QLHMHSJBVOPKES-CYBMUJFWSA-N 1 0 279.424 3.457 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCN2CCCC2(C)C)c(O)c1 ZINC000834908848 634284175 /nfs/dbraw/zinc/28/41/75/634284175.db2.gz HZMGNHWAXHZFPJ-AWEZNQCLSA-N 1 0 276.424 3.226 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)c1cc2c(cc1O)CCCC2 ZINC000834914257 634286085 /nfs/dbraw/zinc/28/60/85/634286085.db2.gz BWGKHVZCJLIPHU-WWGRRREGSA-N 1 0 289.419 3.489 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1cc(F)cc(F)c1[O-] ZINC000873241862 634298152 /nfs/dbraw/zinc/29/81/52/634298152.db2.gz GUUWKADNPWJCRB-PWSUYJOCSA-N 1 0 298.377 3.099 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000873256797 634304668 /nfs/dbraw/zinc/30/46/68/634304668.db2.gz OLLVILPWQSFSIV-CIUDSAMLSA-N 1 0 289.206 3.087 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH+]2C3CCC2CC3)cc1 ZINC000835025962 634324037 /nfs/dbraw/zinc/32/40/37/634324037.db2.gz PCGMMTDEOMHAGD-ARJAWSKDSA-N 1 0 256.393 3.393 20 10 CGCDRO CC(C)COCCC[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835034714 634327584 /nfs/dbraw/zinc/32/75/84/634327584.db2.gz AQPJFTDHOJNXKG-ALCCZGGFSA-N 1 0 290.451 3.418 20 10 CGCDRO Cc1noc(C)c1C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835034933 634327588 /nfs/dbraw/zinc/32/75/88/634327588.db2.gz CDSCUPYKGGPKPM-WAYWQWQTSA-N 1 0 285.391 3.160 20 10 CGCDRO CC[C@H](C)[C@](C)(O)C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835041245 634329834 /nfs/dbraw/zinc/32/98/34/634329834.db2.gz XSPBMBVXRQVUCC-BUSQMGNYSA-N 1 0 290.451 3.153 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+]CCCc2ccccn2)cc1 ZINC000835042429 634330348 /nfs/dbraw/zinc/33/03/48/634330348.db2.gz VLHKOTVPQUOXIE-FNORWQNLSA-N 1 0 295.430 3.383 20 10 CGCDRO C[C@H](Cc1ccncc1)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835043365 634330771 /nfs/dbraw/zinc/33/07/71/634330771.db2.gz PWAIOIOTRQLAPR-DWTRPJMMSA-N 1 0 295.430 3.382 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+]C2CC(F)(F)C2)cc1 ZINC000835049325 634335585 /nfs/dbraw/zinc/33/55/85/634335585.db2.gz QJSJWXDRIPFXPN-ARJAWSKDSA-N 1 0 266.335 3.153 20 10 CGCDRO C[C@@H]1CSC[C@H]1[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835054374 634337776 /nfs/dbraw/zinc/33/77/76/634337776.db2.gz UXYPQHCTAVSGGY-WSXGPOFGSA-N 1 0 276.449 3.107 20 10 CGCDRO CC[C@](C)(C[NH2+]C/C=C\c1ccc(N(C)C)cc1)OC ZINC000835053867 634338184 /nfs/dbraw/zinc/33/81/84/634338184.db2.gz FNFSOQUEXKPGDE-ZPUOCTKUSA-N 1 0 276.424 3.171 20 10 CGCDRO Cc1ccncc1C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835055754 634339411 /nfs/dbraw/zinc/33/94/11/634339411.db2.gz YOKVLMKPGDXUBF-SNAWJCMRSA-N 1 0 281.403 3.259 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+]CC(C)(C)C(C)(C)O)cc1 ZINC000835055828 634339794 /nfs/dbraw/zinc/33/97/94/634339794.db2.gz ZXQOVCFXIGKPJT-BQYQJAHWSA-N 1 0 290.451 3.153 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+]CC2CC(F)(F)C2)cc1 ZINC000835055644 634339834 /nfs/dbraw/zinc/33/98/34/634339834.db2.gz MNDBWCFDQSCSTH-ARJAWSKDSA-N 1 0 280.362 3.401 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CCOC(C)(C)C2)cc1 ZINC000835060203 634342142 /nfs/dbraw/zinc/34/21/42/634342142.db2.gz PCMJNOXFSJJWSR-OAHLLOKOSA-N 1 0 276.424 3.047 20 10 CGCDRO CC[C@H]1CCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876633698 634872072 /nfs/dbraw/zinc/87/20/72/634872072.db2.gz WKAYBCZJWNDEIG-INIZCTEOSA-N 1 0 288.435 3.022 20 10 CGCDRO Cc1ccc(C[NH+]2CCC(OC(C)(C)C)CC2)c(O)c1 ZINC000876636060 634872256 /nfs/dbraw/zinc/87/22/56/634872256.db2.gz QCNUOIZJJHLAKF-UHFFFAOYSA-N 1 0 277.408 3.480 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCCC[C@H]1c1ncc[nH]1 ZINC000876656237 634875917 /nfs/dbraw/zinc/87/59/17/634875917.db2.gz IQOSFNPNHREACT-AWEZNQCLSA-N 1 0 271.364 3.151 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCOC[C@@H]1c1ccccc1 ZINC000876771639 634896483 /nfs/dbraw/zinc/89/64/83/634896483.db2.gz VSTQQMMLNVRELV-QGZVFWFLSA-N 1 0 283.371 3.274 20 10 CGCDRO CN(C)c1ccc(C[NH2+]Cc2cccc(Cl)c2N)cc1 ZINC000876905429 634925602 /nfs/dbraw/zinc/92/56/02/634925602.db2.gz HFPSMCLLPVAWHI-UHFFFAOYSA-N 1 0 289.810 3.278 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]C[C@H](c1ccsc1)N(C)C ZINC000876912237 634927247 /nfs/dbraw/zinc/92/72/47/634927247.db2.gz SBAPZUBXXSEYDP-OAHLLOKOSA-N 1 0 290.432 3.155 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H](C)Cc2cccs2)c(O)c1 ZINC000876917496 634928681 /nfs/dbraw/zinc/92/86/81/634928681.db2.gz UNHZXBSXGGABRP-LBPRGKRZSA-N 1 0 261.390 3.483 20 10 CGCDRO Cc1ccc(C[NH2+][C@H](C)[C@@H](O)c2ccc(F)cc2)c(O)c1 ZINC000877034617 634957108 /nfs/dbraw/zinc/95/71/08/634957108.db2.gz LKFQWLNHCAUCIZ-SJKOYZFVSA-N 1 0 289.350 3.051 20 10 CGCDRO Cc1ccc(C[NH2+]CCCc2ccc(O)cc2)c(O)c1 ZINC000877037029 634959072 /nfs/dbraw/zinc/95/90/72/634959072.db2.gz XZGVWFGEBBBJPV-UHFFFAOYSA-N 1 0 271.360 3.129 20 10 CGCDRO Cc1ccc(C[NH2+]C[C@H]2OCCc3ccccc32)c(O)c1 ZINC000877037167 634959522 /nfs/dbraw/zinc/95/95/22/634959522.db2.gz MANMCQNJPPADAF-GOSISDBHSA-N 1 0 283.371 3.104 20 10 CGCDRO Cc1noc(C)c1[C@H](C)C[NH2+]Cc1ccc(C)cc1O ZINC000877112087 634987365 /nfs/dbraw/zinc/98/73/65/634987365.db2.gz OSEKCQARBRVVTP-LLVKDONJSA-N 1 0 274.364 3.199 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]CC(=O)Nc1c(C)cccc1C ZINC000877143627 635001454 /nfs/dbraw/zinc/00/14/54/635001454.db2.gz TYQVVFGZSQVABU-UHFFFAOYSA-N 1 0 298.386 3.046 20 10 CGCDRO Cc1ccc(C[NH2+][C@H]2CC(C)(C)OC2(C)C)c(O)c1 ZINC000877164891 635004867 /nfs/dbraw/zinc/00/48/67/635004867.db2.gz FTLLPEPMAFKUFT-AWEZNQCLSA-N 1 0 263.381 3.136 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccc(OC)nc2)cc1 ZINC000126379849 635006203 /nfs/dbraw/zinc/00/62/03/635006203.db2.gz BIWIMWXNRVKHAH-CQSZACIVSA-N 1 0 299.418 3.397 20 10 CGCDRO C[C@H]([NH2+]Cc1cccc(F)c1N)c1ccc(N(C)C)cc1 ZINC000877417534 635038223 /nfs/dbraw/zinc/03/82/23/635038223.db2.gz VIMNBHYODQILAK-LBPRGKRZSA-N 1 0 287.382 3.325 20 10 CGCDRO CSCCCCC[NH2+]Cc1ccc(C)cc1O ZINC000877423325 635038722 /nfs/dbraw/zinc/03/87/22/635038722.db2.gz XPVMSYIBHWZBEW-UHFFFAOYSA-N 1 0 253.411 3.324 20 10 CGCDRO CCO[C@H]1C[C@@H]([NH2+][C@H](C)c2cc(Cl)ccc2O)C1 ZINC000840764685 635049156 /nfs/dbraw/zinc/04/91/56/635049156.db2.gz XXOLEKGLTONNFV-JLLWLGSASA-N 1 0 269.772 3.264 20 10 CGCDRO Cc1ncc(C[NH2+][C@H](C)c2ccc(C)c(C)c2O)o1 ZINC000840794020 635053972 /nfs/dbraw/zinc/05/39/72/635053972.db2.gz BTEMSQWRECPRNH-LLVKDONJSA-N 1 0 260.337 3.156 20 10 CGCDRO Cc1ncc(C[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)o1 ZINC000840794047 635054179 /nfs/dbraw/zinc/05/41/79/635054179.db2.gz CBUAGQSNLDCSFE-LLVKDONJSA-N 1 0 286.375 3.418 20 10 CGCDRO CCn1ccc(C[NH2+][C@H](C)c2ccc(C)c(C)c2O)n1 ZINC000840841533 635062340 /nfs/dbraw/zinc/06/23/40/635062340.db2.gz VOMJAPXMDCVXAN-CYBMUJFWSA-N 1 0 273.380 3.076 20 10 CGCDRO CO[C@@](C)([C@@H](C)[NH2+][C@@H]1CCc2cccc(O)c21)C1CC1 ZINC000840859533 635067568 /nfs/dbraw/zinc/06/75/68/635067568.db2.gz NCPMXOPEMUBVJX-ZLENFMNRSA-N 1 0 275.392 3.173 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](C)C1(OC)CCC1)c1ccccc1O ZINC000840883898 635072897 /nfs/dbraw/zinc/07/28/97/635072897.db2.gz HCZIXIDCHNWEEU-GXTWGEPZSA-N 1 0 263.381 3.391 20 10 CGCDRO COCCC[C@@H](C)[NH2+][C@H](C)Cc1ccc(N(C)C)cc1C ZINC000840893957 635077427 /nfs/dbraw/zinc/07/74/27/635077427.db2.gz NSRLSZJOOGIXPR-HZPDHXFCSA-N 1 0 292.467 3.397 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC2(C1)CCOCC2 ZINC000840922971 635082699 /nfs/dbraw/zinc/08/26/99/635082699.db2.gz QNGPAIAIJSRALJ-UHFFFAOYSA-N 1 0 288.435 3.064 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2CCC[C@@H]2C[C@H](C)O)c(Cl)c1 ZINC000840917748 635083016 /nfs/dbraw/zinc/08/30/16/635083016.db2.gz MEABOKBMVOQSMQ-NWDGAFQWSA-N 1 0 283.799 3.089 20 10 CGCDRO COC(C)(C)C[N@H+](C)Cc1c(O)cc(C)cc1Cl ZINC000840920251 635083354 /nfs/dbraw/zinc/08/33/54/635083354.db2.gz UKTXPEQJPIAGGW-UHFFFAOYSA-N 1 0 271.788 3.211 20 10 CGCDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840938745 635085610 /nfs/dbraw/zinc/08/56/10/635085610.db2.gz GMNLJQNOARVHML-GHMZBOCLSA-N 1 0 299.798 3.031 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)cc1C)[C@H]1CCCO1 ZINC000840937786 635085721 /nfs/dbraw/zinc/08/57/21/635085721.db2.gz XYQBWOQKDJIIHH-DLBZAZTESA-N 1 0 276.424 3.108 20 10 CGCDRO COCCC(C)(C)C[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840939717 635087530 /nfs/dbraw/zinc/08/75/30/635087530.db2.gz OVACFDGDPUBQMP-UHFFFAOYSA-N 1 0 278.440 3.213 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c(O)c1 ZINC000877564048 635092993 /nfs/dbraw/zinc/09/29/93/635092993.db2.gz WRXLQARGXFHYJZ-BBWFWOEESA-N 1 0 289.419 3.216 20 10 CGCDRO Cc1cccc(C[N@@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)c1O ZINC000840956785 635093075 /nfs/dbraw/zinc/09/30/75/635093075.db2.gz FAGFSGQDNKKFOH-DLBZAZTESA-N 1 0 283.371 3.009 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H]2CCO[C@@H](c3ccncc3)C2)c(O)c1 ZINC000877568889 635095907 /nfs/dbraw/zinc/09/59/07/635095907.db2.gz DALCOLALENTOGK-SJLPKXTDSA-N 1 0 298.386 3.106 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](C3CCC3)C2)c1 ZINC000840977718 635098909 /nfs/dbraw/zinc/09/89/09/635098909.db2.gz KAUIAYXWYQYJKO-CYBMUJFWSA-N 1 0 261.365 3.023 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]C[C@H]1C[C@H]1C ZINC000840975198 635099312 /nfs/dbraw/zinc/09/93/12/635099312.db2.gz DVKGCMJJFUHHMT-IVMMDQJWSA-N 1 0 260.425 3.238 20 10 CGCDRO Cc1ccc(C[NH2+]C[C@H](C)CC(F)(F)F)c(O)c1 ZINC000877590042 635104232 /nfs/dbraw/zinc/10/42/32/635104232.db2.gz WJGJAHHVIZJRSH-SNVBAGLBSA-N 1 0 261.287 3.379 20 10 CGCDRO C[C@H]1CN(Cc2cc(F)ccc2O)c2ccccc2C[NH2+]1 ZINC000841091104 635121231 /nfs/dbraw/zinc/12/12/31/635121231.db2.gz XPZDVGVMZNXMKK-LBPRGKRZSA-N 1 0 286.350 3.030 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H]2CCc3ccc(O)cc32)c(O)c1 ZINC000877631337 635122668 /nfs/dbraw/zinc/12/26/68/635122668.db2.gz HBTHFOOGCUNKDC-MRXNPFEDSA-N 1 0 269.344 3.183 20 10 CGCDRO COc1cccc(O)c1C[NH+]1CC(c2ccccc2)C1 ZINC000877665992 635138665 /nfs/dbraw/zinc/13/86/65/635138665.db2.gz QRBFYQOEVOCZOM-UHFFFAOYSA-N 1 0 269.344 3.000 20 10 CGCDRO Cc1cccc(C[NH+]2CC(c3ccccc3)C2)c1O ZINC000877665927 635138807 /nfs/dbraw/zinc/13/88/07/635138807.db2.gz OFYCJAKNLNJJLN-UHFFFAOYSA-N 1 0 253.345 3.300 20 10 CGCDRO Cc1cccc(C[NH2+][C@H](C2CCC2)[C@@H]2CCCO2)c1O ZINC000877701368 635152644 /nfs/dbraw/zinc/15/26/44/635152644.db2.gz SKUOTKOCRLJHTL-JKSUJKDBSA-N 1 0 275.392 3.138 20 10 CGCDRO Oc1cccc2c1CN(Cc1ccc(C(F)F)nc1)C2 ZINC000877702720 635153984 /nfs/dbraw/zinc/15/39/84/635153984.db2.gz FFSGXNNALZBVOK-UHFFFAOYSA-N 1 0 276.286 3.241 20 10 CGCDRO Oc1cccc2c1C[N@H+](C[C@H]1CCOc3ccccc31)C2 ZINC000877703157 635155982 /nfs/dbraw/zinc/15/59/82/635155982.db2.gz TZTQHDWKYLEILT-CQSZACIVSA-N 1 0 281.355 3.274 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1)c1ccccc1O ZINC000877755598 635184572 /nfs/dbraw/zinc/18/45/72/635184572.db2.gz HQZHHBOXVLAYCM-GIPNMCIBSA-N 1 0 289.297 3.153 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000877805850 635209253 /nfs/dbraw/zinc/20/92/53/635209253.db2.gz MWPGQXREKRCVJF-JCGIZDLHSA-N 1 0 288.435 3.108 20 10 CGCDRO COCC(C)(C)CC[NH2+]Cc1ccc(N(C)C)cc1C ZINC000877806073 635209604 /nfs/dbraw/zinc/20/96/04/635209604.db2.gz TXHYCOXUDOKVFO-UHFFFAOYSA-N 1 0 278.440 3.213 20 10 CGCDRO COc1cccnc1C[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841755518 635229845 /nfs/dbraw/zinc/22/98/45/635229845.db2.gz IBCRFQOUQVMEPP-JTQLQIEISA-N 1 0 292.766 3.300 20 10 CGCDRO CCn1ccnc1C[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841758836 635231228 /nfs/dbraw/zinc/23/12/28/635231228.db2.gz VJMJSNAGUIFTTP-JTQLQIEISA-N 1 0 279.771 3.113 20 10 CGCDRO CSC[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841757914 635231692 /nfs/dbraw/zinc/23/16/92/635231692.db2.gz GILZDPRXVKVQES-IUCAKERBSA-N 1 0 259.802 3.448 20 10 CGCDRO C[C@@H]([NH2+]CC1=CCCOC1)c1ccc(Cl)cc1O ZINC000841758049 635232032 /nfs/dbraw/zinc/23/20/32/635232032.db2.gz RLFNOLFEDVYKRF-SNVBAGLBSA-N 1 0 267.756 3.043 20 10 CGCDRO C[C@@H]1C[NH+](Cc2ccc(N3CCCCC3)cc2)C[C@@H](C)O1 ZINC000126884168 635351101 /nfs/dbraw/zinc/35/11/01/635351101.db2.gz KVGBIAJIBWJBEH-HZPDHXFCSA-N 1 0 288.435 3.286 20 10 CGCDRO CC(C)O[C@@H]1CC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000842609824 635416726 /nfs/dbraw/zinc/41/67/26/635416726.db2.gz HSGWKHMPQOIDTP-QGZVFWFLSA-N 1 0 289.419 3.270 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2C[C@@H](C)OC3(CCC3)C2)cc1C ZINC000842644203 635425569 /nfs/dbraw/zinc/42/55/69/635425569.db2.gz RFBJITSPXSOQGR-CQSZACIVSA-N 1 0 275.392 3.152 20 10 CGCDRO CCOc1cccc(C[NH2+]CC2CCC(F)CC2)c1O ZINC000842775611 635468322 /nfs/dbraw/zinc/46/83/22/635468322.db2.gz RIFSIZJWCPVNTI-UHFFFAOYSA-N 1 0 281.371 3.409 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCC(C)(C)CO2)c1 ZINC000878360359 635473958 /nfs/dbraw/zinc/47/39/58/635473958.db2.gz LXMVNZXFWDDTAO-GXTWGEPZSA-N 1 0 293.407 3.257 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H]1CC2(CCC2)CO1)c1ccccc1O ZINC000878363047 635475391 /nfs/dbraw/zinc/47/53/91/635475391.db2.gz PAEXVBVPULQBHH-ZFWWWQNUSA-N 1 0 275.392 3.392 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(CO)cc1)c1ccc(Cl)cc1O ZINC000842894499 635507381 /nfs/dbraw/zinc/50/73/81/635507381.db2.gz HQWPUHSSOWSKTG-LLVKDONJSA-N 1 0 291.778 3.389 20 10 CGCDRO CC[C@H](C)C[C@H](CO)[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000842913114 635511065 /nfs/dbraw/zinc/51/10/65/635511065.db2.gz ABOAYMWHBLUNCY-TUKIKUTGSA-N 1 0 279.424 3.457 20 10 CGCDRO COc1ccc(CN2CCCc3cc(C[NH3+])ccc32)cc1 ZINC000843057658 635553244 /nfs/dbraw/zinc/55/32/44/635553244.db2.gz QGLAOVXEYQQHDE-UHFFFAOYSA-N 1 0 282.387 3.107 20 10 CGCDRO FC(F)Oc1ccc2c(c1)CCCN2C[C@@H]1CCC[NH2+]C1 ZINC000843065454 635554757 /nfs/dbraw/zinc/55/47/57/635554757.db2.gz FLCWXZBYOVYCQJ-GFCCVEGCSA-N 1 0 296.361 3.040 20 10 CGCDRO CC1(C)CCC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000127269211 635596041 /nfs/dbraw/zinc/59/60/41/635596041.db2.gz GWIABWFLGZJSIU-UHFFFAOYSA-N 1 0 292.398 3.037 20 10 CGCDRO C[NH2+]CCCN(Cc1cccs1)c1ccc(OC)cc1 ZINC000843356466 635652786 /nfs/dbraw/zinc/65/27/86/635652786.db2.gz RBHHAEGVWKOJOX-UHFFFAOYSA-N 1 0 290.432 3.373 20 10 CGCDRO COC(=O)c1ccc([C@H](C)[NH2+][C@@H](C)c2ccccc2O)o1 ZINC000879651793 635828219 /nfs/dbraw/zinc/82/82/19/635828219.db2.gz KVDZOBPFBXIYRV-QWRGUYRKSA-N 1 0 289.331 3.184 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@@H](OC(C)C)C1 ZINC000846014789 636129860 /nfs/dbraw/zinc/12/98/60/636129860.db2.gz VQKSGHGREIOMEE-GOSISDBHSA-N 1 0 290.451 3.450 20 10 CGCDRO COc1ccc(O)c(C[NH2+]CC[C@@]2(C)C[C@@]2(F)Cl)c1 ZINC000846035599 636134252 /nfs/dbraw/zinc/13/42/52/636134252.db2.gz HNVXKUYDEBGVRI-KBPBESRZSA-N 1 0 287.762 3.195 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)c1 ZINC000846110145 636145111 /nfs/dbraw/zinc/14/51/11/636145111.db2.gz ZLCKUISVJOWQAX-OAHLLOKOSA-N 1 0 297.345 3.412 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]CCOC2CCCCC2)c1O ZINC000846141459 636148705 /nfs/dbraw/zinc/14/87/05/636148705.db2.gz JDIADJVVCUEDQD-CYBMUJFWSA-N 1 0 293.407 3.401 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]Cc2cccs2)c1O ZINC000846138921 636148960 /nfs/dbraw/zinc/14/89/60/636148960.db2.gz XVPPJKNPZWBBLT-JTQLQIEISA-N 1 0 263.362 3.313 20 10 CGCDRO CCOCCC1(C[NH2+][C@H](C)c2cccc(OC)c2O)CC1 ZINC000846157989 636150526 /nfs/dbraw/zinc/15/05/26/636150526.db2.gz QZGTVHABZIZHDN-CYBMUJFWSA-N 1 0 293.407 3.258 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H](C)c2nccs2)c1O ZINC000846162661 636151379 /nfs/dbraw/zinc/15/13/79/636151379.db2.gz IYCZRPMBIZVTAA-MNOVXSKESA-N 1 0 292.404 3.312 20 10 CGCDRO CCn1ccnc1[C@@H](C)[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846168632 636152072 /nfs/dbraw/zinc/15/20/72/636152072.db2.gz LFWAZQKYZUHWIP-NWDGAFQWSA-N 1 0 289.379 3.029 20 10 CGCDRO CCCCN(C)C[C@H](C)[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846169609 636152792 /nfs/dbraw/zinc/15/27/92/636152792.db2.gz FVXIPSBUAQXCBX-KBPBESRZSA-N 1 0 294.439 3.172 20 10 CGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@H]2CCC2(C)C)c1O ZINC000846959451 636294314 /nfs/dbraw/zinc/29/43/14/636294314.db2.gz IPVGGZLXXQDFGQ-ZDUSSCGKSA-N 1 0 265.328 3.012 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+][C@@H](C1CC1)[C@H]1CCCCO1 ZINC000848560695 636606688 /nfs/dbraw/zinc/60/66/88/636606688.db2.gz QCYGMMHBOZUHQD-CVEARBPZSA-N 1 0 295.810 3.483 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)Cc1ccccn1)c1ccc(N(C)C)cc1 ZINC000848564352 636608773 /nfs/dbraw/zinc/60/87/73/636608773.db2.gz FMMLLHPMIPIBRD-LSDHHAIUSA-N 1 0 283.419 3.429 20 10 CGCDRO Cc1cnc(CC[NH2+]Cc2ccc(N(C)C)cc2)c(C)c1 ZINC000848564341 636608795 /nfs/dbraw/zinc/60/87/95/636608795.db2.gz KYXGBDOPBYIVQK-UHFFFAOYSA-N 1 0 283.419 3.097 20 10 CGCDRO COc1ccc(C[NH2+]CCc2ncc(C)cc2C)cc1C ZINC000848564355 636608836 /nfs/dbraw/zinc/60/88/36/636608836.db2.gz LEDQMLLJGURNBI-UHFFFAOYSA-N 1 0 284.403 3.348 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCc2cccc(O)c21)[C@H]1CCCCO1 ZINC000848568006 636610417 /nfs/dbraw/zinc/61/04/17/636610417.db2.gz VYLTZPNLTCUUOE-OFQRWUPVSA-N 1 0 275.392 3.317 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCCN2CCCC[C@H]12)c1ccccc1O ZINC000848568585 636612044 /nfs/dbraw/zinc/61/20/44/636612044.db2.gz MIDJPJQWTSNSBX-YESZJQIVSA-N 1 0 288.435 3.450 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+][C@H]1CCCN2CCCC[C@H]12 ZINC000848574614 636613100 /nfs/dbraw/zinc/61/31/00/636613100.db2.gz GLZRFDAWSICZPY-LSDHHAIUSA-N 1 0 294.826 3.152 20 10 CGCDRO C=C/C=C\CC[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000883259909 636629859 /nfs/dbraw/zinc/62/98/59/636629859.db2.gz DMPJADKZBUANJC-PLNGDYQASA-N 1 0 286.419 3.386 20 10 CGCDRO CO[C@H]1C[C@H](C[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)C1 ZINC000883272098 636643261 /nfs/dbraw/zinc/64/32/61/636643261.db2.gz DCWMAWOAMWZUNG-XEZPLFJOSA-N 1 0 289.419 3.347 20 10 CGCDRO CCC1(CC)[C@@H]([NH2+]Cc2ccc(OC)cc2O)C[C@@H]1OC ZINC000131390600 636648207 /nfs/dbraw/zinc/64/82/07/636648207.db2.gz FEMXERANWDPIBQ-HOTGVXAUSA-N 1 0 293.407 3.084 20 10 CGCDRO C[C@H]1C[C@H]([NH3+])CCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000131442312 636655854 /nfs/dbraw/zinc/65/58/54/636655854.db2.gz NHMMWPFAFQJMKW-GZMMTYOYSA-N 1 0 289.206 3.011 20 10 CGCDRO C[C@@H]1C[C@@H]([NH3+])CCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000131442523 636656700 /nfs/dbraw/zinc/65/67/00/636656700.db2.gz NHMMWPFAFQJMKW-KCJUWKMLSA-N 1 0 289.206 3.011 20 10 CGCDRO COC[C@H]1C[C@@H]([NH2+][C@@H](C)c2cc(Cl)ccc2O)C1 ZINC000883319446 636670108 /nfs/dbraw/zinc/67/01/08/636670108.db2.gz CDZSTWXDOMIMCZ-JBLDHEPKSA-N 1 0 269.772 3.121 20 10 CGCDRO CC[C@@H]([NH2+][C@H]1C[C@@H](COC)C1)c1ccc(N(C)C)cc1 ZINC000883320163 636671381 /nfs/dbraw/zinc/67/13/81/636671381.db2.gz CIHFYTUWIUTICD-UKPHBRMFSA-N 1 0 276.424 3.218 20 10 CGCDRO CCc1cccc(C[N@H+](C)Cc2scnc2C)c1O ZINC000848886945 636674984 /nfs/dbraw/zinc/67/49/84/636674984.db2.gz YJEZYHWANFYMDJ-UHFFFAOYSA-N 1 0 276.405 3.352 20 10 CGCDRO CCc1cccc(C[N@H+](C)CCC(=O)OC(C)(C)C)c1O ZINC000848887713 636675688 /nfs/dbraw/zinc/67/56/88/636675688.db2.gz CGTWQTQUDLOZTN-UHFFFAOYSA-N 1 0 293.407 3.118 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCC[C@@H]2c2cn(C)nc2C)c1O ZINC000848890863 636677468 /nfs/dbraw/zinc/67/74/68/636677468.db2.gz UYGDGCPVHMCADQ-QGZVFWFLSA-N 1 0 299.418 3.334 20 10 CGCDRO CCc1cccc(C[NH2+]Cc2ccc(OC)c(F)c2)c1O ZINC000848893142 636679108 /nfs/dbraw/zinc/67/91/08/636679108.db2.gz QOOGIZVRXUOIMH-UHFFFAOYSA-N 1 0 289.350 3.392 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@@H]2CCCO[C@@H]2C(C)C)c1O ZINC000848898516 636680857 /nfs/dbraw/zinc/68/08/57/636680857.db2.gz VWAFAZGFTGRTDL-FUHWJXTLSA-N 1 0 291.435 3.495 20 10 CGCDRO CCc1cccc(C[NH2+]CCCc2c(C)noc2C)c1O ZINC000848899041 636680896 /nfs/dbraw/zinc/68/08/96/636680896.db2.gz JNEWNLAUCNWWLB-UHFFFAOYSA-N 1 0 288.391 3.282 20 10 CGCDRO CCc1cccc(C[NH2+]CC2([C@@H](C)CCO)CCC2)c1O ZINC000848900547 636681903 /nfs/dbraw/zinc/68/19/03/636681903.db2.gz NPRRTFUPXKWQCP-AWEZNQCLSA-N 1 0 291.435 3.233 20 10 CGCDRO CCc1cccc(C[NH2+][C@H]2CCO[C@@H](C3CC3)C2)c1O ZINC000848903304 636682588 /nfs/dbraw/zinc/68/25/88/636682588.db2.gz PJZZPXXFZWLLEM-JKSUJKDBSA-N 1 0 275.392 3.002 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H](C(C)C)C2(CO)CCC2)c1O ZINC000848912657 636687876 /nfs/dbraw/zinc/68/78/76/636687876.db2.gz IEXMSXNQNDZPTM-KRWDZBQOSA-N 1 0 291.435 3.231 20 10 CGCDRO CCc1cccc(C[N@@H+]2CC[C@H](c3cccnc3)C2)c1O ZINC000848919317 636691318 /nfs/dbraw/zinc/69/13/18/636691318.db2.gz JSDDDFUAJYZEHF-INIZCTEOSA-N 1 0 282.387 3.339 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H](C2CC2)[C@@H]2CCCCO2)c1O ZINC000848922085 636693027 /nfs/dbraw/zinc/69/30/27/636693027.db2.gz LWRXMKXEOXGZJH-HOTGVXAUSA-N 1 0 275.392 3.138 20 10 CGCDRO CCOc1ccc(C[NH2+][C@H](CC)[C@H]2CCCOC2)c(O)c1 ZINC000883352649 636694298 /nfs/dbraw/zinc/69/42/98/636694298.db2.gz FXWBOBKJHNPPNA-GOEBONIOSA-N 1 0 293.407 3.086 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C2CCC3(COC3)CC2)c1O ZINC000883382466 636724605 /nfs/dbraw/zinc/72/46/05/636724605.db2.gz HHKPXKCDBRFDCV-LBPRGKRZSA-N 1 0 291.391 3.011 20 10 CGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)c3ccncc3)C2)cc1 ZINC000849323216 636810457 /nfs/dbraw/zinc/81/04/57/636810457.db2.gz XIADSFAWXDQTDX-GOEBONIOSA-N 1 0 297.402 3.020 20 10 CGCDRO Cc1cccc(C[NH2+][C@H]2CCc3cc(N)ccc32)c1O ZINC000849353081 636817837 /nfs/dbraw/zinc/81/78/37/636817837.db2.gz YFBDVVAWCHHDFC-INIZCTEOSA-N 1 0 268.360 3.060 20 10 CGCDRO CCOc1ccc(C[NH2+][C@@H](C)c2cscn2)c(O)c1 ZINC000850359326 637028394 /nfs/dbraw/zinc/02/83/94/637028394.db2.gz DRCZODLAAXKYRO-JTQLQIEISA-N 1 0 278.377 3.098 20 10 CGCDRO Cc1cc[nH+]c(NCc2cc3c(cc2O)OCO3)c1C1CC1 ZINC000850362246 637028959 /nfs/dbraw/zinc/02/89/59/637028959.db2.gz KGMYCWJJXGIDGX-UHFFFAOYSA-N 1 0 298.342 3.314 20 10 CGCDRO CCOc1ccc(C[NH2+][C@H]2C[C@@H](O)c3ccccc32)c(O)c1 ZINC000850371265 637033393 /nfs/dbraw/zinc/03/33/93/637033393.db2.gz ICQZKGLTHUIDSO-FUHWJXTLSA-N 1 0 299.370 3.059 20 10 CGCDRO CCOc1ccc(C[NH2+]CC[C@@]2(C)CC2(F)F)c(O)c1 ZINC000850380656 637040789 /nfs/dbraw/zinc/04/07/89/637040789.db2.gz JIVSOYTXQVYNMI-AWEZNQCLSA-N 1 0 285.334 3.316 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]CC2(SCC)CC2)c1 ZINC000850393714 637045387 /nfs/dbraw/zinc/04/53/87/637045387.db2.gz FQSLURHBLDDHDB-UHFFFAOYSA-N 1 0 281.421 3.166 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](C(C)C)C2CC2)c1 ZINC000850399240 637047496 /nfs/dbraw/zinc/04/74/96/637047496.db2.gz WFFLYRCCYFRSMT-INIZCTEOSA-N 1 0 263.381 3.315 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H](c2ccccc2)[C@@H](C)O)cc1C ZINC000850420613 637054822 /nfs/dbraw/zinc/05/48/22/637054822.db2.gz PWMICOSUWGSDAC-RDTXWAMCSA-N 1 0 285.387 3.221 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1)[C@@H]1C[C@@H]1C ZINC000850487207 637087515 /nfs/dbraw/zinc/08/75/15/637087515.db2.gz LNHPIZQZQKVTRV-JFTQMJAMSA-N 1 0 288.435 3.298 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1)[C@H]1C[C@H]1C ZINC000850487211 637088185 /nfs/dbraw/zinc/08/81/85/637088185.db2.gz LNHPIZQZQKVTRV-KNCCTNLNSA-N 1 0 288.435 3.298 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)c3ccccn3)C2)cc1 ZINC000850489455 637088811 /nfs/dbraw/zinc/08/88/11/637088811.db2.gz URLJTBRKABVOSX-GJZGRUSLSA-N 1 0 297.402 3.020 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[C@@H]3C3CC3)C2)cc1 ZINC000850488835 637088937 /nfs/dbraw/zinc/08/89/37/637088937.db2.gz USHLPUDJJKNOLW-BMGDILEWSA-N 1 0 286.419 3.052 20 10 CGCDRO COc1ccc(N2CC[C@@H]([NH2+]C(C3CC3)C3CC3)C2)cc1 ZINC000850488443 637089028 /nfs/dbraw/zinc/08/90/28/637089028.db2.gz MWFYNJDBGJGASN-OAHLLOKOSA-N 1 0 286.419 3.052 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[C@H]3C3CC3)C2)cc1 ZINC000850488836 637089137 /nfs/dbraw/zinc/08/91/37/637089137.db2.gz USHLPUDJJKNOLW-JCGIZDLHSA-N 1 0 286.419 3.052 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CCC34CCC4)C2)cc1 ZINC000850489177 637089217 /nfs/dbraw/zinc/08/92/17/637089217.db2.gz WFUIEVKSDWSWPT-WMLDXEAASA-N 1 0 286.419 3.196 20 10 CGCDRO CC[C@H]([NH2+][C@H]1C[C@@H](C)n2ncnc21)c1ccc(C)cc1O ZINC000850498763 637091254 /nfs/dbraw/zinc/09/12/54/637091254.db2.gz CRANZYVNLVPJPD-XBFCOCLRSA-N 1 0 286.379 3.039 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]([S@](C)=O)C2)c(O)c1 ZINC000850500142 637092349 /nfs/dbraw/zinc/09/23/49/637092349.db2.gz BACHUOUYKJVVPC-BSGIZYOKSA-N 1 0 295.448 3.041 20 10 CGCDRO C[C@H]([NH2+]C/C=C\CO)c1ccc(N2CCCCCC2)cc1 ZINC000850509791 637096189 /nfs/dbraw/zinc/09/61/89/637096189.db2.gz SQQDAOMKMANPNE-OUOZUETKSA-N 1 0 288.435 3.266 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)C1(CO)CC1)c1cc(Cl)ccc1O ZINC000850515637 637099306 /nfs/dbraw/zinc/09/93/06/637099306.db2.gz MRNJDPZWCRRPFY-GWCFXTLKSA-N 1 0 283.799 3.247 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCO[C@H]2CC2(F)F)cc1 ZINC000850520129 637100089 /nfs/dbraw/zinc/10/00/89/637100089.db2.gz WXHZYDHMSNTNIK-DOMZBBRYSA-N 1 0 298.377 3.218 20 10 CGCDRO CC[C@@H]([NH2+]C[C@]12OCCC[C@H]1C2(F)F)c1ccccc1O ZINC000850531468 637108705 /nfs/dbraw/zinc/10/87/05/637108705.db2.gz FIKWHDOCGOREOD-YUELXQCFSA-N 1 0 297.345 3.247 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2C(C)(C)C2(F)F)c1 ZINC000850553533 637118578 /nfs/dbraw/zinc/11/85/78/637118578.db2.gz YHGRTYQVLIYPNN-TVQRCGJNSA-N 1 0 285.334 3.343 20 10 CGCDRO CC[C@H]([NH2+]CC1CCC(O)CC1)c1ccc(N(C)C)cc1 ZINC000850557135 637121894 /nfs/dbraw/zinc/12/18/94/637121894.db2.gz UTNCHKAEDOQFLZ-UYJHFMRCSA-N 1 0 290.451 3.344 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](C)c1nccn1C)c1ccc(C)cc1O ZINC000850572853 637129864 /nfs/dbraw/zinc/12/98/64/637129864.db2.gz PRJBWPXPBBUCRM-GXTWGEPZSA-N 1 0 273.380 3.236 20 10 CGCDRO C[C@@H](O)[C@H]([NH2+][C@@H](C)c1ccccc1O)c1ccccc1 ZINC000850582374 637133188 /nfs/dbraw/zinc/13/31/88/637133188.db2.gz FGAWZYVRILJGLK-AHIWAGSCSA-N 1 0 271.360 3.165 20 10 CGCDRO CO[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N(C)C)cc2C)CC1 ZINC000885989258 637344316 /nfs/dbraw/zinc/34/43/16/637344316.db2.gz ZOMKLPGUHCMLOY-SJLPKXTDSA-N 1 0 290.451 3.498 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+]Cc2cc(C3CC3)no2)cc1 ZINC000886269038 637475325 /nfs/dbraw/zinc/47/53/25/637475325.db2.gz JOBPQKCCJKOMHR-ARJAWSKDSA-N 1 0 297.402 3.421 20 10 CGCDRO C[C@H]([NH2+]Cc1cc(C2CC2)no1)c1ccccc1O ZINC000851896274 637534964 /nfs/dbraw/zinc/53/49/64/637534964.db2.gz HZVNXHGDTKYEFE-JTQLQIEISA-N 1 0 258.321 3.108 20 10 CGCDRO C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1c([O-])cccc1F ZINC000886491625 637540405 /nfs/dbraw/zinc/54/04/05/637540405.db2.gz JYFCRPRJTJZQNV-LLVKDONJSA-N 1 0 294.414 3.491 20 10 CGCDRO Cc1csc(CN[C@H](C)c2c(O)cccc2F)n1 ZINC000886498943 637543432 /nfs/dbraw/zinc/54/34/32/637543432.db2.gz VGNZXLYEEYYAKB-SECBINFHSA-N 1 0 266.341 3.147 20 10 CGCDRO C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1c([O-])cccc1F ZINC000886601073 637597882 /nfs/dbraw/zinc/59/78/82/637597882.db2.gz JDFOILFZMDBQQG-GFCCVEGCSA-N 1 0 292.398 3.056 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]CC[C@H]2CC(C)(C)CO2)c1O ZINC000886717515 637669278 /nfs/dbraw/zinc/66/92/78/637669278.db2.gz BLKQAHQAZJHYHV-STQMWFEESA-N 1 0 293.407 3.257 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccnn2CC)cc1 ZINC000853240610 637791662 /nfs/dbraw/zinc/79/16/62/637791662.db2.gz PHMZCLJZLLUALF-AWEZNQCLSA-N 1 0 286.423 3.210 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@H+]2C[C@@H](C)O[C@](C)(C(F)F)C2)c1 ZINC000853630093 637876366 /nfs/dbraw/zinc/87/63/66/637876366.db2.gz NJVFMHBQHZFDAY-WBMJQRKESA-N 1 0 299.361 3.254 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCOC2CCCC2)c1 ZINC000111634273 637932317 /nfs/dbraw/zinc/93/23/17/637932317.db2.gz ZFWATEVUQTXBNI-GFCCVEGCSA-N 1 0 279.380 3.011 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C(C)(C)C ZINC000112375964 638075196 /nfs/dbraw/zinc/07/51/96/638075196.db2.gz RJQUSGXRBJOURE-CYBMUJFWSA-N 1 0 294.414 3.187 20 10 CGCDRO COc1cccc(C[NH2+]CC[C@@H]2CC2(Cl)Cl)c1O ZINC000856808346 638394001 /nfs/dbraw/zinc/39/40/01/638394001.db2.gz YSOQLLBLCMPRHM-SNVBAGLBSA-N 1 0 290.190 3.074 20 10 CGCDRO C[C@H]1COC[C@H]1[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000925014235 638437321 /nfs/dbraw/zinc/43/73/21/638437321.db2.gz ZDUOWRHPHYWBEQ-MAUKXSAKSA-N 1 0 288.435 3.047 20 10 CGCDRO CCOc1ccc(C[NH+]2CC(CC3CC3)C2)c(O)c1 ZINC000857066475 638448418 /nfs/dbraw/zinc/44/84/18/638448418.db2.gz LPIYVAPIWXJHIM-UHFFFAOYSA-N 1 0 261.365 3.023 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)c(N(C)C)cc2F)CS1 ZINC000858176618 638649201 /nfs/dbraw/zinc/64/92/01/638649201.db2.gz CWWODVBZOQKOTG-MWLCHTKSSA-N 1 0 286.391 3.014 20 10 CGCDRO CCC[C@@H](C[NH2+]Cc1cc(OCC)ccc1O)OCC ZINC000858209913 638657154 /nfs/dbraw/zinc/65/71/54/638657154.db2.gz CLBKUBFQOJNGJP-HNNXBMFYSA-N 1 0 281.396 3.086 20 10 CGCDRO CN(C)c1cc(F)c(C[NH2+]CC2CC=CC2)cc1F ZINC000858220907 638659149 /nfs/dbraw/zinc/65/91/49/638659149.db2.gz SWJOZKXFLNDIKF-UHFFFAOYSA-N 1 0 266.335 3.087 20 10 CGCDRO COc1ccsc1C[NH2+]Cc1cc(C)ccc1O ZINC000858238159 638661322 /nfs/dbraw/zinc/66/13/22/638661322.db2.gz WLVNXXNYDNXXEA-UHFFFAOYSA-N 1 0 263.362 3.061 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@]2(CO)CCCC(C)(C)C2)c1 ZINC000858251818 638663821 /nfs/dbraw/zinc/66/38/21/638663821.db2.gz QMZCIPFTGIXQHJ-KRWDZBQOSA-N 1 0 277.408 3.122 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)c1O ZINC000858443898 638720795 /nfs/dbraw/zinc/72/07/95/638720795.db2.gz PLZFNLJFARRWAL-RFQIPJPRSA-N 1 0 275.392 3.488 20 10 CGCDRO C[C@@H]([NH2+]CC[C@@H]1CCCOC1)c1ccc(N(C)C)cc1 ZINC000858445152 638721957 /nfs/dbraw/zinc/72/19/57/638721957.db2.gz BDGFSXIKNGWJIK-CABCVRRESA-N 1 0 276.424 3.220 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H](CO)CCC(C)C)c(O)c1 ZINC000858486250 638737757 /nfs/dbraw/zinc/73/77/57/638737757.db2.gz SKYXYJWCNUSHBA-KGLIPLIRSA-N 1 0 265.397 3.148 20 10 CGCDRO CCOC(=O)C1=CC[C@@H]([NH2+][C@@H](C)c2cc(C)ccc2O)C1 ZINC000858504851 638747820 /nfs/dbraw/zinc/74/78/20/638747820.db2.gz ABTVGPMNXNJDCL-GXTWGEPZSA-N 1 0 289.375 3.003 20 10 CGCDRO C[C@@H]([NH2+]CC1COC1)c1ccc(N2CCCCCC2)cc1 ZINC000858550670 638760303 /nfs/dbraw/zinc/76/03/03/638760303.db2.gz ROLFQEZHYUUZTB-OAHLLOKOSA-N 1 0 288.435 3.364 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]C[C@@H]1CCCC3(CCC3)O1)CC2 ZINC000927009348 638830861 /nfs/dbraw/zinc/83/08/61/638830861.db2.gz BZRKBYXHUYEUSI-LSDHHAIUSA-N 1 0 287.403 3.461 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCS[C@H](C)C1)c1cc(F)ccc1O ZINC000927029709 638833862 /nfs/dbraw/zinc/83/38/62/638833862.db2.gz DSEQAPIYHKEZQU-CKYFFXLPSA-N 1 0 269.385 3.466 20 10 CGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CCCF)c1O ZINC000187376038 638881484 /nfs/dbraw/zinc/88/14/84/638881484.db2.gz ACOBEKPXUSCIGA-VIFPVBQESA-N 1 0 290.176 3.473 20 10 CGCDRO CCO[C@H](C[NH2+][C@H](C)c1ccc(N(C)C)cc1)C1CC1 ZINC000859257430 639120723 /nfs/dbraw/zinc/12/07/23/639120723.db2.gz BDIDEDLJNLKHAS-CXAGYDPISA-N 1 0 276.424 3.218 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2CCC[C@@H](SC)C2)c(O)c1 ZINC000117393878 639326175 /nfs/dbraw/zinc/32/61/75/639326175.db2.gz RXMWMMGNPXFFPA-GXTWGEPZSA-N 1 0 281.421 3.165 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2CCC[C@H](SC)C2)c(O)c1 ZINC000117393870 639326695 /nfs/dbraw/zinc/32/66/95/639326695.db2.gz RXMWMMGNPXFFPA-JSGCOSHPSA-N 1 0 281.421 3.165 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C2(Cc3ccccc3)CC2)c1 ZINC000187493527 639607312 /nfs/dbraw/zinc/60/73/12/639607312.db2.gz MAHKLEVLSOUGSN-UHFFFAOYSA-N 1 0 283.371 3.266 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2CCCCO2)cc1 ZINC000042813856 639921345 /nfs/dbraw/zinc/92/13/45/639921345.db2.gz YFRSTINHEAWIGT-KRWDZBQOSA-N 1 0 276.424 3.192 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](C)c2cncs2)cc1C ZINC000155399180 639932401 /nfs/dbraw/zinc/93/24/01/639932401.db2.gz ILYPBGKOYSRXKR-NSHDSACASA-N 1 0 262.378 3.311 20 10 CGCDRO COc1ccc(C[NH2+][C@H](C)c2cncc(F)c2)cc1C ZINC000155412978 639933935 /nfs/dbraw/zinc/93/39/35/639933935.db2.gz OFYUKBCGFGEAND-GFCCVEGCSA-N 1 0 274.339 3.389 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1COc2ccccc2C1)c1ccccc1O ZINC000155437750 639935620 /nfs/dbraw/zinc/93/56/20/639935620.db2.gz MXUOZXWSLFSMFW-HOCLYGCPSA-N 1 0 283.371 3.437 20 10 CGCDRO COc1cc(C[N@@H+]2CCc3sccc3C2)c(O)cc1C ZINC000159624260 640056694 /nfs/dbraw/zinc/05/66/94/640056694.db2.gz MMMXPVLHHRPMCT-UHFFFAOYSA-N 1 0 289.400 3.329 20 10 CGCDRO CC(C)C[C@H]1OCCC[C@@H]1[NH2+]Cc1cc(F)ccc1O ZINC000187679457 640093574 /nfs/dbraw/zinc/09/35/74/640093574.db2.gz FTVPTXWRGVRLQL-GOEBONIOSA-N 1 0 281.371 3.215 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCOCC(F)F)cc1 ZINC000188761624 640152157 /nfs/dbraw/zinc/15/21/57/640152157.db2.gz PTDAWTKCXXBZQU-LBPRGKRZSA-N 1 0 286.366 3.075 20 10 CGCDRO COC[C@H](C)C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000189499384 640196161 /nfs/dbraw/zinc/19/61/61/640196161.db2.gz QHDOMACWLBLGTG-CQSZACIVSA-N 1 0 289.375 3.270 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](CC(C)(C)O)C2CC2)cc1 ZINC000189946782 640215763 /nfs/dbraw/zinc/21/57/63/640215763.db2.gz WEAFINAXVPICRE-UHFFFAOYSA-N 1 0 290.451 3.268 20 10 CGCDRO Cc1cc(CC[NH2+]Cc2ccccc2O)cc(C)c1O ZINC000190392474 640244430 /nfs/dbraw/zinc/24/44/30/640244430.db2.gz HFMKCNVUHMVMHF-UHFFFAOYSA-N 1 0 271.360 3.047 20 10 CGCDRO Cc1ccc(C[C@@H](CO)[NH2+][C@@H](C)c2ccc(C)cc2O)cc1 ZINC000191579014 640320934 /nfs/dbraw/zinc/32/09/34/640320934.db2.gz CVIUTOPQSKAFAF-RDJZCZTQSA-N 1 0 299.414 3.263 20 10 CGCDRO Cc1ccc(C[C@H](CO)[NH2+][C@@H](C)c2cc(C)ccc2O)cc1 ZINC000191587315 640322020 /nfs/dbraw/zinc/32/20/20/640322020.db2.gz HBRMOKRYIFIHLN-DOTOQJQBSA-N 1 0 299.414 3.263 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2CCSC[C@H](C)C2)cc1C ZINC000192180762 640356181 /nfs/dbraw/zinc/35/61/81/640356181.db2.gz XRQOIDYZYMFFIO-LLVKDONJSA-N 1 0 265.422 3.194 20 10 CGCDRO CCOc1cccc(C[N@@H+]2C[C@@H](C)CC[C@H]2C)c1O ZINC000245902588 640646736 /nfs/dbraw/zinc/64/67/36/640646736.db2.gz LJRJFDQIOGWXIY-QWHCGFSZSA-N 1 0 263.381 3.411 20 10 CGCDRO CC[C@@H]1COCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000091980248 640727201 /nfs/dbraw/zinc/72/72/01/640727201.db2.gz MNBLMTDWGXIHJV-QGZVFWFLSA-N 1 0 288.435 3.288 20 10 CGCDRO C[C@@H]([NH2+]CCN1CCCC[C@H]1C)c1ccc(F)cc1[O-] ZINC000248519059 640765153 /nfs/dbraw/zinc/76/51/53/640765153.db2.gz QHPUBKUMMJLVFP-CHWSQXEVSA-N 1 0 280.387 3.056 20 10 CGCDRO COc1cccc(C[NH+]2C[C@H]3CCCC[C@@H]3C2)c1O ZINC000093442054 640771328 /nfs/dbraw/zinc/77/13/28/640771328.db2.gz VNCTXZWELGGGFC-CHWSQXEVSA-N 1 0 261.365 3.023 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H]2C[C@@H](C)O)cc1 ZINC000093483247 640772125 /nfs/dbraw/zinc/77/21/25/640772125.db2.gz GMSGVDVSQAPTAW-QAPCUYQASA-N 1 0 290.451 3.268 20 10 CGCDRO O=C1C[C@@H]2CC([NH2+]Cc3cc4ccccc4cc3O)C[C@H]2C1 ZINC001254929484 806510606 /nfs/dbraw/zinc/51/06/06/806510606.db2.gz SPVKZOPXHLQDSY-GJZGRUSLSA-N 1 0 295.382 3.393 20 10 CGCDRO CC1(C)C[N@H+](Cc2c(O)ccc3ccccc32)CCO1 ZINC000029546530 798845367 /nfs/dbraw/zinc/84/53/67/798845367.db2.gz KBHPWADJNROKHQ-UHFFFAOYSA-N 1 0 271.360 3.156 20 10 CGCDRO CCOc1cccc(C[NH2+]C[C@@H]2Cc3ccccc32)c1O ZINC000037565386 798869079 /nfs/dbraw/zinc/86/90/79/798869079.db2.gz BBPZBRVHCQHIIZ-HNNXBMFYSA-N 1 0 283.371 3.220 20 10 CGCDRO Oc1ccc(Cl)cc1CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916042 798879257 /nfs/dbraw/zinc/87/92/57/798879257.db2.gz OPGWUCFPHSTUEK-WFASDCNBSA-N 1 0 294.826 3.010 20 10 CGCDRO Oc1cccc(Cl)c1C[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000156104413 799065147 /nfs/dbraw/zinc/06/51/47/799065147.db2.gz IHQZWQHABIWALY-GHMZBOCLSA-N 1 0 251.757 3.278 20 10 CGCDRO Oc1ccc(Br)cc1C[NH2+]C1(C2CC2)CC1 ZINC000310012246 799221683 /nfs/dbraw/zinc/22/16/83/799221683.db2.gz JAUCIPDMVXFFID-UHFFFAOYSA-N 1 0 282.181 3.187 20 10 CGCDRO COCC1([NH2+]Cc2ccc(N3CCCCC3)cc2)CCC1 ZINC000378824840 799343404 /nfs/dbraw/zinc/34/34/04/799343404.db2.gz HACTTYXNBBMWGF-UHFFFAOYSA-N 1 0 288.435 3.336 20 10 CGCDRO Cc1ccc(C[C@H](C)[NH2+]Cc2cccc(O)c2O)cc1 ZINC001255780946 806748000 /nfs/dbraw/zinc/74/80/00/806748000.db2.gz SGDNPFMFLBZRJI-ZDUSSCGKSA-N 1 0 271.360 3.127 20 10 CGCDRO CSCC[C@@H](C)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000383926651 799409594 /nfs/dbraw/zinc/40/95/94/799409594.db2.gz AZWOKBFOLWOQIY-PWSUYJOCSA-N 1 0 251.395 3.111 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)[C@H](C)O1 ZINC000385267692 799425234 /nfs/dbraw/zinc/42/52/34/799425234.db2.gz XSTNEUIIZAHGAI-RVKKMQEKSA-N 1 0 288.435 3.332 20 10 CGCDRO CCC[C@@H](C[NH2+][C@@H](C)c1cc(C)ccc1O)OC ZINC000386043137 799430112 /nfs/dbraw/zinc/43/01/12/799430112.db2.gz FCDDIBCROHKQJS-STQMWFEESA-N 1 0 251.370 3.166 20 10 CGCDRO CCOCCCC[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000388384166 799452354 /nfs/dbraw/zinc/45/23/54/799452354.db2.gz YCKJNZSNTWWDTJ-UHFFFAOYSA-N 1 0 276.424 3.193 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]C[C@H]2CCCC2(F)F)c1 ZINC000390578613 799471579 /nfs/dbraw/zinc/47/15/79/799471579.db2.gz CKAVWMWGYZDGTJ-GFCCVEGCSA-N 1 0 255.308 3.226 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccnc(C)c1)c1ccccc1O ZINC000391141707 799477033 /nfs/dbraw/zinc/47/70/33/799477033.db2.gz KTGWOIBGBXVRRJ-HNNXBMFYSA-N 1 0 256.349 3.337 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@]2(C)CCOC2)cc1 ZINC000397126205 799513485 /nfs/dbraw/zinc/51/34/85/799513485.db2.gz QRFPYZRJIRAOIH-QGZVFWFLSA-N 1 0 276.424 3.049 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2CC[C@@H](C)O2)cc1 ZINC000398109645 799526705 /nfs/dbraw/zinc/52/67/05/799526705.db2.gz MILIFNCHGJNPCO-PBHICJAKSA-N 1 0 276.424 3.190 20 10 CGCDRO CCn1cc(C[NH2+][C@H](C)c2ccc3ccccc3c2O)nn1 ZINC000404505137 799577257 /nfs/dbraw/zinc/57/72/57/799577257.db2.gz LEKXUIZMWKTDLV-GFCCVEGCSA-N 1 0 296.374 3.008 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@H](C)O[C@@H]2C)c(O)c1 ZINC000686508405 799735117 /nfs/dbraw/zinc/73/51/17/799735117.db2.gz AGKJANBOXLWVNU-FQUUOJAGSA-N 1 0 263.381 3.165 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]C[C@H]2CCC[C@H](C)O2)c1O ZINC000688903984 799758202 /nfs/dbraw/zinc/75/82/02/799758202.db2.gz ZUFIFDOZRWWCCJ-GXFFZTMASA-N 1 0 299.798 3.101 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@]2(C)CC2(F)F)c1 ZINC000689214294 799761693 /nfs/dbraw/zinc/76/16/93/799761693.db2.gz OSNQKVJKBWSKGB-MFKMUULPSA-N 1 0 255.308 3.397 20 10 CGCDRO COc1ccc(C[NH2+]C[C@]2(C)CC2(F)F)cc1C ZINC000689213295 799762068 /nfs/dbraw/zinc/76/20/68/799762068.db2.gz BSWYUWWSUMGORX-ZDUSSCGKSA-N 1 0 255.308 3.139 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]C[C@]2(C)CC2(F)F)c1O ZINC000689261090 799762945 /nfs/dbraw/zinc/76/29/45/799762945.db2.gz ISEYQIPEGXTHBK-LBPRGKRZSA-N 1 0 291.725 3.189 20 10 CGCDRO C[C@H]1CC[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)CS1 ZINC000689480730 799765040 /nfs/dbraw/zinc/76/50/40/799765040.db2.gz DXZKBUIEWQVCJW-GXTWGEPZSA-N 1 0 264.438 3.126 20 10 CGCDRO CC[C@@H]([NH2+]CCc1ccc(C)cn1)c1ccccc1O ZINC000689495308 799766624 /nfs/dbraw/zinc/76/66/24/799766624.db2.gz UFPCSGFGKWKNEM-MRXNPFEDSA-N 1 0 270.376 3.379 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1CCN1C(C)(C)C)c1cc(F)ccc1O ZINC000690398179 799775298 /nfs/dbraw/zinc/77/52/98/799775298.db2.gz RWQAPLIJIFFTRF-DGCLKSJQSA-N 1 0 280.387 3.055 20 10 CGCDRO C[C@H]([NH2+]CC1SCCS1)c1ccc(N(C)C)cc1 ZINC000692852325 799802330 /nfs/dbraw/zinc/80/23/30/799802330.db2.gz GFOOUOMCVBHEJV-NSHDSACASA-N 1 0 282.478 3.209 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CC2SCCS2)c(O)c1 ZINC000692904367 799802921 /nfs/dbraw/zinc/80/29/21/799802921.db2.gz KQYKBPHKYQWZML-SNVBAGLBSA-N 1 0 269.435 3.157 20 10 CGCDRO CO[C@@H](C[NH2+]Cc1cc(Cl)ccc1O)C1CCCC1 ZINC000692951352 799805223 /nfs/dbraw/zinc/80/52/23/799805223.db2.gz KCKOWMPASGTFAY-HNNXBMFYSA-N 1 0 283.799 3.340 20 10 CGCDRO Cc1cc(C)cc(C[NH2+]Cc2cc(F)ccc2O)c1 ZINC000693153334 799808792 /nfs/dbraw/zinc/80/87/92/799808792.db2.gz VBWHPJLTXXPLSC-UHFFFAOYSA-N 1 0 259.324 3.438 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@]23C[C@@H]2CCCC3)c1O ZINC000693234677 799809774 /nfs/dbraw/zinc/80/97/74/799809774.db2.gz VMPGBNUMASSCMJ-BBRMVZONSA-N 1 0 261.365 3.213 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCOC(C)(C)C)c1 ZINC000695262667 799828759 /nfs/dbraw/zinc/82/87/59/799828759.db2.gz LSHJWMWNQSAHNM-LBPRGKRZSA-N 1 0 281.396 3.257 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2CCCC[C@H]2C2CC2)c(O)c1 ZINC000695894234 799836326 /nfs/dbraw/zinc/83/63/26/799836326.db2.gz XSSVVGXBKMCESI-HOTGVXAUSA-N 1 0 275.392 3.459 20 10 CGCDRO CCOc1cccc(C[NH2+]C2CC3(CCC3)C2)c1O ZINC000697695697 799848547 /nfs/dbraw/zinc/84/85/47/799848547.db2.gz KCCXQLWCLYKQAJ-UHFFFAOYSA-N 1 0 261.365 3.213 20 10 CGCDRO Cc1cccc(C[NH2+]CCSCC(F)(F)F)c1O ZINC000698882563 799856055 /nfs/dbraw/zinc/85/60/55/799856055.db2.gz DYHCXRREQMMSML-UHFFFAOYSA-N 1 0 279.327 3.086 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000698922359 799858081 /nfs/dbraw/zinc/85/80/81/799858081.db2.gz NAMPFRPIMCCYJA-GWCFXTLKSA-N 1 0 251.757 3.181 20 10 CGCDRO C[C@H]([NH2+][C@@H]1COC[C@@H]1C)c1ccc2ccccc2c1O ZINC000699475695 799861869 /nfs/dbraw/zinc/86/18/69/799861869.db2.gz MWJGINVQZWQBEJ-MQIPJXDCSA-N 1 0 271.360 3.231 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2cscn2)c1 ZINC000700444509 799872134 /nfs/dbraw/zinc/87/21/34/799872134.db2.gz RXXLTCDITVIKSI-ZJUUUORDSA-N 1 0 278.377 3.269 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]CCC1(F)CCC1 ZINC000702522894 799910058 /nfs/dbraw/zinc/91/00/58/799910058.db2.gz UIDZCFMGTGCMLP-UHFFFAOYSA-N 1 0 257.736 3.418 20 10 CGCDRO CC[C@H]([NH2+]CC[C@H]1CC1(F)F)c1ccccc1O ZINC000701945723 799899539 /nfs/dbraw/zinc/89/95/39/799899539.db2.gz TUGVURLMEOCLDJ-JQWIXIFHSA-N 1 0 255.308 3.478 20 10 CGCDRO COc1ccc(C[NH2+]CC[C@H]2CC2(F)F)cc1C ZINC000701948361 799900212 /nfs/dbraw/zinc/90/02/12/799900212.db2.gz VBIAQRVGXGVJJX-LBPRGKRZSA-N 1 0 255.308 3.139 20 10 CGCDRO CCc1cccc(C[NH2+]CC[C@H]2CC2(F)F)c1O ZINC000701955597 799901276 /nfs/dbraw/zinc/90/12/76/799901276.db2.gz ABNFJHRHXHPSLE-LBPRGKRZSA-N 1 0 255.308 3.090 20 10 CGCDRO CCc1cccc(C[NH2+]C2CCC(OC)CC2)c1O ZINC000703805868 799930403 /nfs/dbraw/zinc/93/04/03/799930403.db2.gz MVECLYPPMLIEFY-UHFFFAOYSA-N 1 0 263.381 3.002 20 10 CGCDRO COC1CCC([NH2+][C@@H](C)c2ccc(C)cc2O)CC1 ZINC000703832395 799930727 /nfs/dbraw/zinc/93/07/27/799930727.db2.gz UJFOQPDOROQRGL-HSBZDZAISA-N 1 0 263.381 3.309 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]CC[C@H]1CCSC1 ZINC000704773417 799940330 /nfs/dbraw/zinc/94/03/30/799940330.db2.gz CFHOLAORCZYWLM-JTQLQIEISA-N 1 0 271.813 3.278 20 10 CGCDRO C[C@@H]([NH2+]CC[C@H]1CCSC1)c1cc(F)ccc1O ZINC000704791990 799941035 /nfs/dbraw/zinc/94/10/35/799941035.db2.gz ZFHJVXIMXNTKAX-MNOVXSKESA-N 1 0 269.385 3.325 20 10 CGCDRO Oc1cccc(Br)c1C[NH2+]C/C=C\C1CC1 ZINC000706835336 799967646 /nfs/dbraw/zinc/96/76/46/799967646.db2.gz ULYUXPANOSUBFX-IHWYPQMZSA-N 1 0 282.181 3.211 20 10 CGCDRO CC[N@H+](Cc1c(O)cccc1Br)C(C)C ZINC000707128712 799973410 /nfs/dbraw/zinc/97/34/10/799973410.db2.gz AFUUWPCYYSKNNC-UHFFFAOYSA-N 1 0 272.186 3.385 20 10 CGCDRO CCC[N@H+](CC)Cc1c(O)cccc1Br ZINC000707129637 799973777 /nfs/dbraw/zinc/97/37/77/799973777.db2.gz NBMZGEAFQUYCNK-UHFFFAOYSA-N 1 0 272.186 3.387 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2cccc(O)c2O)CC(C)(C)C1 ZINC000708342809 799986361 /nfs/dbraw/zinc/98/63/61/799986361.db2.gz ZDQAHVGKGDBEKU-DGCLKSJQSA-N 1 0 263.381 3.402 20 10 CGCDRO CC1(C)C[C@@H](C[NH2+]Cc2ccccc2O)C(C)(C)O1 ZINC000709753836 800017023 /nfs/dbraw/zinc/01/70/23/800017023.db2.gz DNSVRKJPUOJTJE-ZDUSSCGKSA-N 1 0 263.381 3.076 20 10 CGCDRO CCc1cccc(C[NH2+][C@H]2C[C@@H](OC)C23CCC3)c1O ZINC000713464340 800108698 /nfs/dbraw/zinc/10/86/98/800108698.db2.gz MAOCAHFBPQBIAP-LSDHHAIUSA-N 1 0 275.392 3.002 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2C[C@H](OC)C2)cc1 ZINC000714689545 800127486 /nfs/dbraw/zinc/12/74/86/800127486.db2.gz MRYDTKQYSPVHEF-JCNLHEQBSA-N 1 0 276.424 3.047 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccns1 ZINC000716017590 800159567 /nfs/dbraw/zinc/15/95/67/800159567.db2.gz BYHZNJKCYZMGLB-GFCCVEGCSA-N 1 0 287.432 3.376 20 10 CGCDRO C[C@H]([NH2+]Cc1cc(Cl)ccc1O)c1ccns1 ZINC000716034222 800162286 /nfs/dbraw/zinc/16/22/86/800162286.db2.gz QBCHKMIXALBOTG-QMMMGPOBSA-N 1 0 268.769 3.353 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2O)C[C@H](C)O1 ZINC000724663619 800364601 /nfs/dbraw/zinc/36/46/01/800364601.db2.gz UXHMYINHGCVLCA-IWIIMEHWSA-N 1 0 269.772 3.091 20 10 CGCDRO OCC[C@@H]([NH2+]Cc1cc(Cl)ccc1O)C1CCCC1 ZINC000725125940 800375336 /nfs/dbraw/zinc/37/53/36/800375336.db2.gz OAGWCZLRJPXOPD-CQSZACIVSA-N 1 0 283.799 3.076 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H]1CCCSC1 ZINC000840945784 800501298 /nfs/dbraw/zinc/50/12/98/800501298.db2.gz XNQXVDHNDHJJAZ-CQSZACIVSA-N 1 0 278.465 3.294 20 10 CGCDRO Cc1cc(F)ncc1C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000893682536 800575280 /nfs/dbraw/zinc/57/52/80/800575280.db2.gz BXKJFDBOEIRCHQ-CYBMUJFWSA-N 1 0 287.382 3.446 20 10 CGCDRO CC(C)N(CCC[NH3+])c1ccc(OCC(F)(F)F)cc1 ZINC001164127572 806898029 /nfs/dbraw/zinc/89/80/29/806898029.db2.gz YSNMQLMSFSQTED-UHFFFAOYSA-N 1 0 290.329 3.191 20 10 CGCDRO COc1cccc(O)c1C[N@H+](C)[C@H]1CC[C@H](SC)C1 ZINC001116444858 802353182 /nfs/dbraw/zinc/35/31/82/802353182.db2.gz BQLNLJNJGCGKQT-RYUDHWBXSA-N 1 0 281.421 3.117 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2CC[C@@](CO)(C(C)C)C2)c(Cl)c1 ZINC001118012067 802518704 /nfs/dbraw/zinc/51/87/04/802518704.db2.gz MFDAADDVQORZJX-MRXNPFEDSA-N 1 0 297.826 3.194 20 10 CGCDRO CCCC[C@](C)(CO)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001118239004 802540527 /nfs/dbraw/zinc/54/05/27/802540527.db2.gz XACQNFDFRWVICW-GOSISDBHSA-N 1 0 290.451 3.318 20 10 CGCDRO CC[C@H](C)C[C@@H](CO)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001118264712 802543378 /nfs/dbraw/zinc/54/33/78/802543378.db2.gz LZGGEWJKIUVQKQ-RDJZCZTQSA-N 1 0 290.451 3.174 20 10 CGCDRO COc1cc(C)cc(C[N@H+](C)[C@H]2CC[C@H](SC)C2)c1O ZINC001119496077 802672036 /nfs/dbraw/zinc/67/20/36/802672036.db2.gz HAAOZMBFZINISQ-KBPBESRZSA-N 1 0 295.448 3.425 20 10 CGCDRO CC[N@H+](Cc1ccc(OC)c(OC)c1O)C(C)(C)C ZINC001119971230 802716864 /nfs/dbraw/zinc/71/68/64/802716864.db2.gz JGGQNYVHBLPJMM-UHFFFAOYSA-N 1 0 267.369 3.030 20 10 CGCDRO C[C@H]1C[N@H+](Cc2ccc(N)cc2)C[C@@H](c2ccccc2)O1 ZINC001120370842 802742597 /nfs/dbraw/zinc/74/25/97/802742597.db2.gz HFCZNANCPHISME-KSSFIOAISA-N 1 0 282.387 3.231 20 10 CGCDRO C[N@H+](CCc1cccc(F)c1)Cc1c([O-])cccc1F ZINC001137840246 803780437 /nfs/dbraw/zinc/78/04/37/803780437.db2.gz ULWYGZACSHRUMO-UHFFFAOYSA-N 1 0 277.314 3.345 20 10 CGCDRO Cc1cc(C[N@@H+]2CCCC[C@H](O)C2)c(C)n1-c1ccccc1 ZINC001137854194 803785071 /nfs/dbraw/zinc/78/50/71/803785071.db2.gz LXOPBMOIQHRYQO-IBGZPJMESA-N 1 0 298.430 3.441 20 10 CGCDRO CC1(C)C[N@H+](Cc2cccc(F)c2[O-])CCC1(F)F ZINC001138123893 803862557 /nfs/dbraw/zinc/86/25/57/803862557.db2.gz QEGYQDCIENKZPE-UHFFFAOYSA-N 1 0 273.298 3.399 20 10 CGCDRO [O-]c1c(F)cccc1C[N@H+]1C[C@@H]2CC(F)(F)C[C@@H]2C1 ZINC001138123699 803862704 /nfs/dbraw/zinc/86/27/04/803862704.db2.gz IBPHPIJCBVKOLH-PHIMTYICSA-N 1 0 271.282 3.008 20 10 CGCDRO COC1(C)CC[NH+](Cc2c(C)n(C)c3ccccc32)CC1 ZINC001138252523 803880322 /nfs/dbraw/zinc/88/03/22/803880322.db2.gz JVXMSLBOQIPDMJ-UHFFFAOYSA-N 1 0 286.419 3.488 20 10 CGCDRO Cc1c(C[N@H+]2CC[C@H](C)[C@@H](O)CC2)c2ccccc2n1C ZINC001138252280 803880455 /nfs/dbraw/zinc/88/04/55/803880455.db2.gz AKPLSGHEHSBRTR-UGSOOPFHSA-N 1 0 286.419 3.080 20 10 CGCDRO Cc1c(C[N@@H+]2CCC[C@@](C)(O)CC2)c2ccccc2n1C ZINC001138252431 803880867 /nfs/dbraw/zinc/88/08/67/803880867.db2.gz HGCZJTIMCURWSQ-GOSISDBHSA-N 1 0 286.419 3.224 20 10 CGCDRO Cc1c(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)c2ccccc2n1C ZINC001138252784 803882927 /nfs/dbraw/zinc/88/29/27/803882927.db2.gz UWPAAFJHGFAKMN-KXBFYZLASA-N 1 0 298.430 3.488 20 10 CGCDRO Cc1c(C[N@@H+]2CCC[C@H](CO)CC2)c2ccccc2n1C ZINC001138252720 803882949 /nfs/dbraw/zinc/88/29/49/803882949.db2.gz RSTIXIBQMUNROQ-HNNXBMFYSA-N 1 0 286.419 3.081 20 10 CGCDRO Cc1c(CN2CC[NH+](C3CCC3)CC2)c2ccccc2n1C ZINC001138252909 803883113 /nfs/dbraw/zinc/88/31/13/803883113.db2.gz XKRZBFHUDCBTBQ-UHFFFAOYSA-N 1 0 297.446 3.157 20 10 CGCDRO Cc1nc2c(o1)CCN(Cc1c(C)n(C)c3ccccc31)C2 ZINC001138259818 803883601 /nfs/dbraw/zinc/88/36/01/803883601.db2.gz OHSLLEFYIGVDGF-UHFFFAOYSA-N 1 0 295.386 3.341 20 10 CGCDRO Cc1c(C[N@@H+]2CCC[C@]3(CCO3)C2)c2ccccc2n1C ZINC001138258409 803885196 /nfs/dbraw/zinc/88/51/96/803885196.db2.gz RSQYNGDUSHLDLU-SFHVURJKSA-N 1 0 284.403 3.242 20 10 CGCDRO CN1CCCc2cc(C[NH+]3CCCCCC3)ccc21 ZINC001138354757 803900907 /nfs/dbraw/zinc/90/09/07/803900907.db2.gz SVKQDEUHVNNPCZ-UHFFFAOYSA-N 1 0 258.409 3.445 20 10 CGCDRO CN1CCCc2cc(C[N@H+](C)C[C@H]3CCCCO3)ccc21 ZINC001138356168 803901147 /nfs/dbraw/zinc/90/11/47/803901147.db2.gz BIWJIKVMKAVHSY-QGZVFWFLSA-N 1 0 288.435 3.070 20 10 CGCDRO CN1CCCc2cc(C[NH+]3C4CCC3CC4)ccc21 ZINC001138357448 803902172 /nfs/dbraw/zinc/90/21/72/803902172.db2.gz FDFQKQVGVGMDSY-UHFFFAOYSA-N 1 0 256.393 3.196 20 10 CGCDRO CCN(CC)c1ccc(CN2CCC[C@H](F)C2)c(OC)c1 ZINC001138390228 803912457 /nfs/dbraw/zinc/91/24/57/803912457.db2.gz ZRWGRTIIGCIVIK-HNNXBMFYSA-N 1 0 294.414 3.475 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCc3cccc(O)c3C2)s1 ZINC001138493684 803950740 /nfs/dbraw/zinc/95/07/40/803950740.db2.gz TWSOGQRWYITCLY-UHFFFAOYSA-N 1 0 288.416 3.078 20 10 CGCDRO C[N@H+](CCC(=O)c1cccs1)Cc1cc(F)ccc1O ZINC001140058713 804366193 /nfs/dbraw/zinc/36/61/93/804366193.db2.gz IXSUTRFJGVHVTE-UHFFFAOYSA-N 1 0 293.363 3.298 20 10 CGCDRO Oc1cccc(Br)c1C[N@@H+]1CCC[C@H]2C[C@H]21 ZINC001140103956 804377858 /nfs/dbraw/zinc/37/78/58/804377858.db2.gz VNSNPTYKTMHQHT-JOYOIKCWSA-N 1 0 282.181 3.139 20 10 CGCDRO Cc1ccc(C)c(C[N@H+]2C[C@H]3[C@H](CCC3(F)F)C2)c1O ZINC001140181990 804396027 /nfs/dbraw/zinc/39/60/27/804396027.db2.gz ZMBORHUVJCJIOX-OCCSQVGLSA-N 1 0 281.346 3.486 20 10 CGCDRO Oc1cccc(Cl)c1C[NH+]1CCC2(CCCO2)CC1 ZINC001140341315 804420092 /nfs/dbraw/zinc/42/00/92/804420092.db2.gz HNXYYXZPRJKWRJ-UHFFFAOYSA-N 1 0 281.783 3.191 20 10 CGCDRO COCC[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1O ZINC001140466965 804444037 /nfs/dbraw/zinc/44/40/37/804444037.db2.gz NWHHRVDLALHJTG-AWEZNQCLSA-N 1 0 283.799 3.437 20 10 CGCDRO Cc1ccc(O)c(C[NH+]2CCC3(CCCOC3)CC2)c1 ZINC001140623819 804477953 /nfs/dbraw/zinc/47/79/53/804477953.db2.gz SWKNDJOGIAXKKC-UHFFFAOYSA-N 1 0 275.392 3.093 20 10 CGCDRO CCC[N@H+](Cc1ccc(O)c(C)c1O)[C@@H](C)CC ZINC001140741785 804503503 /nfs/dbraw/zinc/50/35/03/804503503.db2.gz BXTCGLOMRDCEDR-NSHDSACASA-N 1 0 251.370 3.417 20 10 CGCDRO COC1(C)CC[NH+](Cc2ccc(N(C)C)cc2Cl)CC1 ZINC001140921932 804548913 /nfs/dbraw/zinc/54/89/13/804548913.db2.gz WMCAOPOVEYFZKE-UHFFFAOYSA-N 1 0 296.842 3.407 20 10 CGCDRO C[C@@H]1C[C@@H](F)CN1Cc1ccc(N(C)C)cc1Cl ZINC001140921640 804549025 /nfs/dbraw/zinc/54/90/25/804549025.db2.gz LHQRAJBEVMIPFM-ZYHUDNBSSA-N 1 0 270.779 3.338 20 10 CGCDRO CN(C)c1ccc(C[NH+]2CCC(F)CC2)c(Cl)c1 ZINC001140921968 804549536 /nfs/dbraw/zinc/54/95/36/804549536.db2.gz YMTOIOMHSNILNZ-UHFFFAOYSA-N 1 0 270.779 3.340 20 10 CGCDRO Cc1ccc(C[N@@H+](C(C)C)C2CCOCC2)c(O)c1 ZINC001140954468 804557877 /nfs/dbraw/zinc/55/78/77/804557877.db2.gz SVMZQAZQXPMDFX-UHFFFAOYSA-N 1 0 263.381 3.090 20 10 CGCDRO Cc1ccn2cc(C[N@@H+](C)Cc3ccc(C)cc3O)nc2c1 ZINC001140954818 804558095 /nfs/dbraw/zinc/55/80/95/804558095.db2.gz LZMAWBPORBGIQV-UHFFFAOYSA-N 1 0 295.386 3.289 20 10 CGCDRO Cc1ccc(C[N@H+](C)CCc2cccs2)c(O)c1 ZINC001140950016 804558863 /nfs/dbraw/zinc/55/88/63/804558863.db2.gz QUDAJZVXEXAIGE-UHFFFAOYSA-N 1 0 261.390 3.437 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H]3CCC[C@@H]3C2)c(OC)c1 ZINC001141026662 804572853 /nfs/dbraw/zinc/57/28/53/804572853.db2.gz YOFMRVQRAZBVIE-QWHCGFSZSA-N 1 0 291.391 3.031 20 10 CGCDRO COc1cc(O)c(CN2Cc3cccc(C)c3C2)c(OC)c1 ZINC001141031784 804574507 /nfs/dbraw/zinc/57/45/07/804574507.db2.gz LHPPNWLCMWPWIZ-UHFFFAOYSA-N 1 0 299.370 3.234 20 10 CGCDRO C[N@@H+](Cc1cc2c3c(c1)CCCN3CCC2)CC1CC1 ZINC001141074534 804585437 /nfs/dbraw/zinc/58/54/37/804585437.db2.gz LCLCHOYXXPSBAX-UHFFFAOYSA-N 1 0 270.420 3.227 20 10 CGCDRO CN1CCOc2cc(C[N@H+](C)Cc3ccsc3)ccc21 ZINC001141143521 804596752 /nfs/dbraw/zinc/59/67/52/804596752.db2.gz CGFRGWMRMUNKAJ-UHFFFAOYSA-N 1 0 288.416 3.209 20 10 CGCDRO CC[N@H+](Cc1cccc(N(C)C)c1)Cc1ccccc1O ZINC001141268521 804625574 /nfs/dbraw/zinc/62/55/74/804625574.db2.gz PVBZLJFYJUPSIN-UHFFFAOYSA-N 1 0 284.403 3.480 20 10 CGCDRO C[C@H]1C[N@H+](Cc2cccc(C(C)(C)C)c2O)CCC[C@@H]1O ZINC001143104060 804802147 /nfs/dbraw/zinc/80/21/47/804802147.db2.gz OVCCFRXUKPIBHZ-BBRMVZONSA-N 1 0 291.435 3.283 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2cccc(C(C)(C)C)c2O)CCC[C@H]1O ZINC001143104063 804802160 /nfs/dbraw/zinc/80/21/60/804802160.db2.gz OVCCFRXUKPIBHZ-CZUORRHYSA-N 1 0 291.435 3.283 20 10 CGCDRO CC(C)(C)c1cccc(C[N@@H+]2CCCC[C@H](O)C2)c1O ZINC001143104234 804802430 /nfs/dbraw/zinc/80/24/30/804802430.db2.gz RJLBZLWFRDDMBP-AWEZNQCLSA-N 1 0 277.408 3.037 20 10 CGCDRO C[C@H]1COCC[N@H+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143104610 804802518 /nfs/dbraw/zinc/80/25/18/804802518.db2.gz WDGJNBLNNVJEQT-CYBMUJFWSA-N 1 0 277.408 3.158 20 10 CGCDRO CC(C)(C)c1cccc(C[NH+]2CCSCC2)c1O ZINC001143105434 804802861 /nfs/dbraw/zinc/80/28/61/804802861.db2.gz VZLAYDLBZBDFPL-UHFFFAOYSA-N 1 0 265.422 3.239 20 10 CGCDRO CCC[N@H+](Cc1ccc(CC(=O)OC)cc1O)[C@@H](C)CC ZINC001249171510 805104668 /nfs/dbraw/zinc/10/46/68/805104668.db2.gz CTLCTFPMOSVDEA-ZDUSSCGKSA-N 1 0 293.407 3.118 20 10 CGCDRO CCC[C@H](C)[NH+]1CCN(c2ccc(OCC)cc2)CC1 ZINC001257329477 807110915 /nfs/dbraw/zinc/11/09/15/807110915.db2.gz YTMTUYAYPBRVNW-HNNXBMFYSA-N 1 0 276.424 3.396 20 10 CGCDRO Cc1cc(C)c(C[NH2+][C@@H](C)Cc2ccco2)c(O)c1 ZINC001258181050 807345039 /nfs/dbraw/zinc/34/50/39/807345039.db2.gz IAAYHGFMCUQRJG-ZDUSSCGKSA-N 1 0 259.349 3.323 20 10 CGCDRO CSC(C)(C)C[C@@H](C)[NH2+]Cc1cccc(O)c1O ZINC001258333641 807414507 /nfs/dbraw/zinc/41/45/07/807414507.db2.gz PGTOBHDDTFALCD-SNVBAGLBSA-N 1 0 269.410 3.108 20 10 CGCDRO CCCCC[C@H](CC)[NH2+]CCc1cc(O)c(O)cc1O ZINC001258428360 807446774 /nfs/dbraw/zinc/44/67/74/807446774.db2.gz NYNRVNVARBRLDS-ZDUSSCGKSA-N 1 0 281.396 3.294 20 10 CGCDRO CCCC[C@H](CCC)[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001258752988 807593496 /nfs/dbraw/zinc/59/34/96/807593496.db2.gz OMCZSQOEINTONI-BBRMVZONSA-N 1 0 281.396 3.080 20 10 CGCDRO CN(C)c1ccc(CC[NH2+][C@@H]2CCc3cccc(O)c32)cc1 ZINC001261276361 807729259 /nfs/dbraw/zinc/72/92/59/807729259.db2.gz GBZYXISJHBDWSU-QGZVFWFLSA-N 1 0 296.414 3.278 20 10 CGCDRO Cc1cc(C)c(C[NH2+][C@@H]2Cc3cccc(F)c3C2)c(O)c1 ZINC001171783166 808138841 /nfs/dbraw/zinc/13/88/41/808138841.db2.gz LHVREEKARYBWBN-CQSZACIVSA-N 1 0 285.362 3.405 20 10 CGCDRO CC[C@@H](C)OCC[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC001172345332 808244083 /nfs/dbraw/zinc/24/40/83/808244083.db2.gz WOKSCQMNWJUECR-LSDHHAIUSA-N 1 0 278.440 3.436 20 10 CGCDRO CC[N@H+](Cc1ccccc1O)[C@H](C)CCOC(C)C ZINC001172458096 808329545 /nfs/dbraw/zinc/32/95/45/808329545.db2.gz YEWSZNUDDHEYOL-CQSZACIVSA-N 1 0 265.397 3.418 20 10 CGCDRO C[N@@H+]1CCC=C(N(Cc2ccccc2)c2ccc(N)cc2)C1 ZINC001175580441 809461126 /nfs/dbraw/zinc/46/11/26/809461126.db2.gz OMPUTRFRFHSERZ-UHFFFAOYSA-N 1 0 293.414 3.495 20 10 CGCDRO Nc1ccc(Cc2ccccc2Nc2[nH]cc[nH+]2)cc1 ZINC001176085585 809619390 /nfs/dbraw/zinc/61/93/90/809619390.db2.gz SSXBSTWECFHFSC-UHFFFAOYSA-N 1 0 264.332 3.326 20 10 CGCDRO CC1([NH2+]Cc2cc(F)cc(F)c2[O-])Cc2ccccc2C1 ZINC001178217909 809852597 /nfs/dbraw/zinc/85/25/97/809852597.db2.gz ANCFXGYPLDFLMG-UHFFFAOYSA-N 1 0 289.325 3.318 20 10 CGCDRO OC[C@@H](CC1CCCC1)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001178571380 809877109 /nfs/dbraw/zinc/87/71/09/809877109.db2.gz PZJLEBSDFLZQMR-QGZVFWFLSA-N 1 0 289.419 3.042 20 10 CGCDRO CO[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)C12CCC2 ZINC001178916207 809894309 /nfs/dbraw/zinc/89/43/09/809894309.db2.gz BSSNRIZNAJZCMV-SJORKVTESA-N 1 0 287.403 3.059 20 10 CGCDRO C=C/C=C/CC[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC001179472840 809923239 /nfs/dbraw/zinc/92/32/39/809923239.db2.gz ANFCPMFSXFCNRH-NKEWZBFXSA-N 1 0 256.393 3.488 20 10 CGCDRO C=C/C=C\CC[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC001179472838 809923477 /nfs/dbraw/zinc/92/34/77/809923477.db2.gz ANFCPMFSXFCNRH-AFJQJTPPSA-N 1 0 256.393 3.488 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]C/C=C\c1ccccc1 ZINC001180332872 809994873 /nfs/dbraw/zinc/99/48/73/809994873.db2.gz WBTKUHOCRXKMRX-DAXSKMNVSA-N 1 0 257.308 3.334 20 10 CGCDRO CN(C)c1cc(F)c(CN2CC3(CCC3)C2)cc1F ZINC001182214980 810098760 /nfs/dbraw/zinc/09/87/60/810098760.db2.gz BLWGGEVZJYWJEJ-UHFFFAOYSA-N 1 0 266.335 3.017 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC001183371723 810146636 /nfs/dbraw/zinc/14/66/36/810146636.db2.gz SAJDFVQTJBGYQO-CVEARBPZSA-N 1 0 290.476 3.246 20 10 CGCDRO Oc1cccc2c1C[N@H+](Cc1ccc3[nH]ccc3c1)C2 ZINC001183454804 810148945 /nfs/dbraw/zinc/14/89/45/810148945.db2.gz OMBBVDFHVJXGNW-UHFFFAOYSA-N 1 0 264.328 3.389 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2noc3ccccc23)c(O)c1 ZINC001183768128 810159540 /nfs/dbraw/zinc/15/95/40/810159540.db2.gz ILEUDJWAOMKUNA-UHFFFAOYSA-N 1 0 268.316 3.132 20 10 CGCDRO CCc1cc(Nc2cc(OC(F)(F)F)ccc2O)cc[nH+]1 ZINC001214378422 815402838 /nfs/dbraw/zinc/40/28/38/815402838.db2.gz OUPTTWTTZSXHLQ-UHFFFAOYSA-N 1 0 298.264 3.414 20 10 CGCDRO CC(C)CC[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001198935198 811551895 /nfs/dbraw/zinc/55/18/95/811551895.db2.gz LBQDAXZSGWWUQK-UHFFFAOYSA-N 1 0 256.340 3.167 20 10 CGCDRO CCOc1ccc(N2CC[NH+](CC(C)(C)C)CC2)cc1 ZINC001201442401 811850895 /nfs/dbraw/zinc/85/08/95/811850895.db2.gz ZEZBBXIUIKBMCN-UHFFFAOYSA-N 1 0 276.424 3.253 20 10 CGCDRO CCC(CC)C[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001201535989 811890818 /nfs/dbraw/zinc/89/08/18/811890818.db2.gz SLKQRALJIBPHRW-UHFFFAOYSA-N 1 0 263.381 3.282 20 10 CGCDRO CC(C)(C)CC[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001202096729 812015334 /nfs/dbraw/zinc/01/53/34/812015334.db2.gz ORFWTLITRQOCPZ-UHFFFAOYSA-N 1 0 263.381 3.282 20 10 CGCDRO Oc1ccccc1C[NH+]1CCC2(COc3ccccc32)CC1 ZINC001203561323 812392404 /nfs/dbraw/zinc/39/24/04/812392404.db2.gz QHAMKMLFWLGRJP-UHFFFAOYSA-N 1 0 295.382 3.318 20 10 CGCDRO COc1cccc(C[N@@H+]2CCC[C@@H]2Cc2ccccn2)c1O ZINC001203595553 812403880 /nfs/dbraw/zinc/40/38/80/812403880.db2.gz IJFBFCHDGPQQTM-MRXNPFEDSA-N 1 0 298.386 3.003 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CC[C@H]3CCC[C@@H]3C2)c1O ZINC001203603956 812405264 /nfs/dbraw/zinc/40/52/64/812405264.db2.gz XUPQGHNVTOGWHN-ZIAGYGMSSA-N 1 0 275.392 3.413 20 10 CGCDRO COc1ccc(C[N@@H+]2CCC[C@@H](C)[C@@H](C)C2)c(O)c1 ZINC001203621312 812409556 /nfs/dbraw/zinc/40/95/56/812409556.db2.gz SOWSXKQCYRUNCH-OLZOCXBDSA-N 1 0 263.381 3.269 20 10 CGCDRO COc1ccc(C[N@@H+]2CC[C@@H]3CCC[C@@H]3C2)c(O)c1 ZINC001203621378 812409780 /nfs/dbraw/zinc/40/97/80/812409780.db2.gz BZSJGOAIUSFPEX-QWHCGFSZSA-N 1 0 261.365 3.023 20 10 CGCDRO C[N@H+](Cc1cccc(Cl)c1)Cc1ccc(O)c(O)c1 ZINC001203878175 812477954 /nfs/dbraw/zinc/47/79/54/812477954.db2.gz CHZFOHCZXWIUBY-UHFFFAOYSA-N 1 0 277.751 3.383 20 10 CGCDRO Oc1ccc(C[N@@H+]2CCC[C@H]2c2ccccc2)cc1O ZINC001203879685 812478899 /nfs/dbraw/zinc/47/88/99/812478899.db2.gz XWTUIXRUEMCNOO-HNNXBMFYSA-N 1 0 269.344 3.435 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC(=O)[C@H]3CCCC[C@@H]32)cc1 ZINC001203930549 812494699 /nfs/dbraw/zinc/49/46/99/812494699.db2.gz YIAYDIKBOGBNDQ-IRXDYDNUSA-N 1 0 286.419 3.086 20 10 CGCDRO CCO[C@@H]1CC[N@H+](Cc2ccc(N(CC)CC)cc2)C1 ZINC001203942829 812497921 /nfs/dbraw/zinc/49/79/21/812497921.db2.gz SFNAHPQNZXRAJT-QGZVFWFLSA-N 1 0 276.424 3.144 20 10 CGCDRO C[C@@H]1CCC[C@H]1[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001203969708 812503744 /nfs/dbraw/zinc/50/37/44/812503744.db2.gz ZLZRWBRKDQBVMK-OLMNPRSZSA-N 1 0 289.467 3.134 20 10 CGCDRO C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001203969706 812504434 /nfs/dbraw/zinc/50/44/34/812504434.db2.gz ZLZRWBRKDQBVMK-JLSDUUJJSA-N 1 0 289.467 3.134 20 10 CGCDRO C[C@@H]1COCC[N@@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001204233237 812579775 /nfs/dbraw/zinc/57/97/75/812579775.db2.gz PEXRFZBAZQXGPQ-CQSZACIVSA-N 1 0 284.403 3.127 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@H]2CO)c2ccccc21 ZINC001204233011 812580060 /nfs/dbraw/zinc/58/00/60/812580060.db2.gz NGJMYDAYMUZIJN-INIZCTEOSA-N 1 0 298.430 3.253 20 10 CGCDRO COC[C@H]1CC[N@H+](Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001204232981 812580093 /nfs/dbraw/zinc/58/00/93/812580093.db2.gz MOLIDAFYCFRNOO-HNNXBMFYSA-N 1 0 298.430 3.374 20 10 CGCDRO CN(C)c1ccc(C[NH+]2CCC(C)(O)CC2)c2ccccc21 ZINC001204234354 812582063 /nfs/dbraw/zinc/58/20/63/812582063.db2.gz YZLXWWIAKMSLNB-UHFFFAOYSA-N 1 0 298.430 3.253 20 10 CGCDRO COc1ccc([C@H](C)[N@H+](C)Cc2ccc(O)cc2O)cc1 ZINC001204278894 812594723 /nfs/dbraw/zinc/59/47/23/812594723.db2.gz MEJODFUQUKRHFR-LBPRGKRZSA-N 1 0 287.359 3.299 20 10 CGCDRO CC(C)C[N@H+](Cc1cc(F)c(F)cc1[O-])C1CC1 ZINC001204411787 812631842 /nfs/dbraw/zinc/63/18/42/812631842.db2.gz RVYFCFKRONPPOK-UHFFFAOYSA-N 1 0 255.308 3.291 20 10 CGCDRO CN(C)c1ccc(CN2CCC[C@](C)([NH3+])C2)c2ccccc21 ZINC001204938850 812786675 /nfs/dbraw/zinc/78/66/75/812786675.db2.gz NMNSBWFLMYTBFV-IBGZPJMESA-N 1 0 297.446 3.219 20 10 CGCDRO C[C@@H]1[C@H]([NH3+])CCN1Cc1cc(Cl)c(C(C)(C)C)cc1O ZINC001205201377 812906844 /nfs/dbraw/zinc/90/68/44/812906844.db2.gz DIPCZQVOTSCPDP-QMTHXVAHSA-N 1 0 296.842 3.265 20 10 CGCDRO C[C@@H]1CC[C@H](CN)[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC001205829740 813100287 /nfs/dbraw/zinc/10/02/87/813100287.db2.gz PNVXKOQDLMELRE-UKRRQHHQSA-N 1 0 284.403 3.105 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+][C@@H](C)CC(C)(C)O)c1 ZINC001205861394 813112271 /nfs/dbraw/zinc/11/22/71/813112271.db2.gz VPPKKBDZTFVVLS-LBPRGKRZSA-N 1 0 265.397 3.155 20 10 CGCDRO Nc1cc(Nc2ccccc2C(=O)c2ccncc2)cc[nH+]1 ZINC001206585105 813364151 /nfs/dbraw/zinc/36/41/51/813364151.db2.gz YCETVRBLCJJIQR-UHFFFAOYSA-N 1 0 290.326 3.033 20 10 CGCDRO COc1cc(C)c(C[NH2+][C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)c(O)c1 ZINC001206645743 813386674 /nfs/dbraw/zinc/38/66/74/813386674.db2.gz NLAIECPZSQGMMR-DDTOSNHZSA-N 1 0 297.345 3.233 20 10 CGCDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)Cc1cc[nH]c(=O)c1 ZINC001207122075 813489775 /nfs/dbraw/zinc/48/97/75/813489775.db2.gz CQBDYFJTKIXVOY-UHFFFAOYSA-N 1 0 297.402 3.019 20 10 CGCDRO Cn1c[nH+]cc1Nc1ccc(Cc2ccc(N)cc2)cc1 ZINC001211250300 814860191 /nfs/dbraw/zinc/86/01/91/814860191.db2.gz HQWPSYCZNZYLAQ-UHFFFAOYSA-N 1 0 278.359 3.337 20 10 CGCDRO C[C@@H]1CCC[C@H](C)[C@H]1Oc1ccc(N2CC[NH2+]CC2)cc1 ZINC001218352171 816175057 /nfs/dbraw/zinc/17/50/57/816175057.db2.gz CAOKFIUVKKTZFP-HWWDLCQESA-N 1 0 288.435 3.300 20 10 CGCDRO [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222272097 816392666 /nfs/dbraw/zinc/39/26/66/816392666.db2.gz NRIWANOCLXQKBT-INIZCTEOSA-N 1 0 294.826 3.011 20 10 CGCDRO Cc1c(CN2CCC[C@]3(CCC[NH2+]3)C2)c2ccccc2n1C ZINC001222347107 816415669 /nfs/dbraw/zinc/41/56/69/816415669.db2.gz WFBRYFDDMMUXCK-LJQANCHMSA-N 1 0 297.446 3.205 20 10 CGCDRO Cc1cc(O)c(CN2CC[C@]3(C2)CCCC[NH2+]3)cc1Cl ZINC001222434098 816443421 /nfs/dbraw/zinc/44/34/21/816443421.db2.gz CDCGWGVVAUSZNS-INIZCTEOSA-N 1 0 294.826 3.072 20 10 CGCDRO O=C1CN(Cc2c(O)ccc3ccccc32)CCC[C@H]1F ZINC001231588864 818128974 /nfs/dbraw/zinc/12/89/74/818128974.db2.gz XGWKXQYGEOVGOJ-OAHLLOKOSA-N 1 0 287.334 3.048 20 10 CGCDRO Cc1cccc(C[N@@H+]2CC[C@@H](c3ccncc3)C2)c1O ZINC001231593123 818132357 /nfs/dbraw/zinc/13/23/57/818132357.db2.gz NHOLVJDUOYDCKS-OAHLLOKOSA-N 1 0 268.360 3.085 20 10 CGCDRO Cc1cc(C)c(C[N@@H+]2CC[C@H](c3cccnc3)C2)c(O)c1 ZINC001231844296 818187900 /nfs/dbraw/zinc/18/79/00/818187900.db2.gz IDPFRATYTBDUDA-INIZCTEOSA-N 1 0 282.387 3.394 20 10 CGCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCCC(F)(F)CC1 ZINC001231849339 818188328 /nfs/dbraw/zinc/18/83/28/818188328.db2.gz RKDQFAXCYMBXJS-UHFFFAOYSA-N 1 0 298.377 3.382 20 10 CGCDRO Cc1cc(C)c(C[N@@H+]2CC[C@]3(C2)CCCOC3)c(O)c1 ZINC001231850033 818188836 /nfs/dbraw/zinc/18/88/36/818188836.db2.gz ZEMNWCDIPLANHE-KRWDZBQOSA-N 1 0 275.392 3.012 20 10 CGCDRO Cc1cc(C)c(C[N@@H+](C(C)C)C2CCN(C)CC2)c(O)c1 ZINC001231850452 818188857 /nfs/dbraw/zinc/18/88/57/818188857.db2.gz PZMABESWFPLWQD-UHFFFAOYSA-N 1 0 290.451 3.314 20 10 CGCDRO Cc1cc(C)c(C[NH+]2CCC(n3cccn3)CC2)c(O)c1 ZINC001231849565 818189492 /nfs/dbraw/zinc/18/94/92/818189492.db2.gz RNEQBZDMQRCZCF-UHFFFAOYSA-N 1 0 285.391 3.043 20 10 CGCDRO CC[N@H+](CCn1ccnc1)Cc1cc(Cl)c(C)cc1O ZINC001231870310 818193919 /nfs/dbraw/zinc/19/39/19/818193919.db2.gz STERGBCDPTUWJO-UHFFFAOYSA-N 1 0 293.798 3.073 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2C[C@H]3CCCC(=O)[C@@H]3C2)cc1Cl ZINC001231871979 818193936 /nfs/dbraw/zinc/19/39/36/818193936.db2.gz TWZUEPIIZGQQTI-DGCLKSJQSA-N 1 0 293.794 3.155 20 10 CGCDRO CC(C)[C@@H]1COCC[N@@H+]1Cc1ccc2ccccc2c1O ZINC001231881350 818200325 /nfs/dbraw/zinc/20/03/25/818200325.db2.gz VVHDIVFZADQPQE-KRWDZBQOSA-N 1 0 285.387 3.402 20 10 CGCDRO CC(C)[N@H+](C)[C@@H]1CCN(Cc2ccc3ccccc3c2O)C1 ZINC001231883314 818201054 /nfs/dbraw/zinc/20/10/54/818201054.db2.gz OAHGCCFVLKYEND-QGZVFWFLSA-N 1 0 298.430 3.460 20 10 CGCDRO CC[N@@H+](Cc1ccccc1O)Cc1ccc(C)nc1C ZINC001232085449 818251929 /nfs/dbraw/zinc/25/19/29/818251929.db2.gz ZSMGRXKBWQKNAM-UHFFFAOYSA-N 1 0 270.376 3.426 20 10 CGCDRO Oc1cc(O)c(C[N@@H+]2CCC23CCCC3)cc1Cl ZINC001232258398 818296003 /nfs/dbraw/zinc/29/60/03/818296003.db2.gz WXDOTKYPLXNMSO-UHFFFAOYSA-N 1 0 267.756 3.270 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2O)[C@@H](C)C1 ZINC001232839718 818453062 /nfs/dbraw/zinc/45/30/62/818453062.db2.gz UVHBXIYDIYXNCT-OLZOCXBDSA-N 1 0 262.397 3.079 20 10 CGCDRO CC[C@@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)cc1O ZINC001232840356 818453432 /nfs/dbraw/zinc/45/34/32/818453432.db2.gz UXZZKZUTPJQGQU-CQSZACIVSA-N 1 0 262.397 3.223 20 10 CGCDRO C[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2O)[C@@H](C)C1 ZINC001232839720 818453443 /nfs/dbraw/zinc/45/34/43/818453443.db2.gz UVHBXIYDIYXNCT-STQMWFEESA-N 1 0 262.397 3.079 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H]2c2ccccn2)c(O)c1 ZINC001232838508 818453559 /nfs/dbraw/zinc/45/35/59/818453559.db2.gz GSYXZUBEMDTPQS-KRWDZBQOSA-N 1 0 297.402 3.190 20 10 CGCDRO CO[C@H]1CCC[N@H+](Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001233284158 818565249 /nfs/dbraw/zinc/56/52/49/818565249.db2.gz KLCBECKFXYPGJZ-HNNXBMFYSA-N 1 0 277.408 3.301 20 10 CGCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)c1 ZINC001233286961 818568495 /nfs/dbraw/zinc/56/84/95/818568495.db2.gz QGZSHYCQLAKTEU-QKDCVEJESA-N 1 0 277.383 3.337 20 10 CGCDRO [O-]c1ccc(F)c(F)c1C[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC001233335271 818586889 /nfs/dbraw/zinc/58/68/89/818586889.db2.gz OHXXXMLWDBNOGD-MFKMUULPSA-N 1 0 267.319 3.435 20 10 CGCDRO C[N@H+](Cc1ccc(Cl)cc1)Cc1cc(O)c(O)cc1O ZINC001233485846 818625116 /nfs/dbraw/zinc/62/51/16/818625116.db2.gz NFJWGRYRMRJRSG-UHFFFAOYSA-N 1 0 293.750 3.089 20 10 CGCDRO CC[NH+]1CCN(c2ccc(OC3CCCC3)cc2)CC1 ZINC001234658036 818908459 /nfs/dbraw/zinc/90/84/59/818908459.db2.gz RIFUKJSEMPLIMJ-UHFFFAOYSA-N 1 0 274.408 3.150 20 10 CGCDRO CC[N@H+](Cc1cccc(-c2ccccc2)c1O)C1CN(C)C1 ZINC001234999573 818974898 /nfs/dbraw/zinc/97/48/98/818974898.db2.gz WLRKGZQIBAKVOL-UHFFFAOYSA-N 1 0 296.414 3.195 20 10 CGCDRO Oc1c(C[N@@H+]2CC[C@]23CCOC3)cccc1-c1ccccc1 ZINC001234999387 818974996 /nfs/dbraw/zinc/97/49/96/818974996.db2.gz VESWVAOLAOTEKG-LJQANCHMSA-N 1 0 295.382 3.424 20 10 CGCDRO CCc1cccc(C[N@@H+](CC)Cc2ccccc2O)n1 ZINC001235265563 819057977 /nfs/dbraw/zinc/05/79/77/819057977.db2.gz WDBOZUUYHMWGIV-UHFFFAOYSA-N 1 0 270.376 3.372 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(CN(C)[C@H]2CCC[NH2+]C2)cc1 ZINC001235343110 819073499 /nfs/dbraw/zinc/07/34/99/819073499.db2.gz SGOFKLAXXYDPNR-IBGZPJMESA-N 1 0 297.446 3.278 20 10 CGCDRO COC[C@H]1CCC[N@@H+]1Cc1ccc(C(C)(C)C)cc1O ZINC001235673857 819135273 /nfs/dbraw/zinc/13/52/73/819135273.db2.gz AOBUOQYAABHFOX-OAHLLOKOSA-N 1 0 277.408 3.301 20 10 CGCDRO CC(C)(C)c1ccc(C[N@@H+]2CCCC[C@@](C)(O)C2)c(O)c1 ZINC001235676350 819137296 /nfs/dbraw/zinc/13/72/96/819137296.db2.gz QVUSFPVYVVIDAV-GOSISDBHSA-N 1 0 291.435 3.427 20 10 CGCDRO CCN(Cc1cc(C(C)(C)C)ccc1O)[C@H]1CCC[NH2+]C1 ZINC001236007859 819271802 /nfs/dbraw/zinc/27/18/02/819271802.db2.gz CKYWGKCFCQYIAG-INIZCTEOSA-N 1 0 290.451 3.264 20 10 CGCDRO CCC[C@@H]1C[NH2+]CCN1Cc1ccc(C(C)(C)C)cc1O ZINC001236133558 819336801 /nfs/dbraw/zinc/33/68/01/819336801.db2.gz ZJSTUFAXGIKCJA-MRXNPFEDSA-N 1 0 290.451 3.264 20 10 CGCDRO CCN(CC)c1ccc(CN(C)[C@]2(C)CCC[NH2+]C2)cc1 ZINC001236199120 819366167 /nfs/dbraw/zinc/36/61/67/819366167.db2.gz FAXZUCBTPCUGPM-GOSISDBHSA-N 1 0 289.467 3.107 20 10 CGCDRO Cc1cc(C[N@@H+]2CCc3ccc(N)cc3C2)ccc1N(C)C ZINC001236232482 819393807 /nfs/dbraw/zinc/39/38/07/819393807.db2.gz OEGCYCYEYSGYQZ-UHFFFAOYSA-N 1 0 295.430 3.202 20 10 CGCDRO Cc1cc(CN(C(C)C)[C@@H]2CCC[NH2+]C2)ccc1N(C)C ZINC001236469047 819490106 /nfs/dbraw/zinc/49/01/06/819490106.db2.gz SXYYDWXRNBVZKT-QGZVFWFLSA-N 1 0 289.467 3.023 20 10 CGCDRO Cc1ccc(CN([C@H]2CC[NH2+]C2)C2CCCCC2)c(O)c1 ZINC001236650432 819561397 /nfs/dbraw/zinc/56/13/97/819561397.db2.gz CEODQEFTXHEBPO-KRWDZBQOSA-N 1 0 288.435 3.197 20 10 CGCDRO COc1cc(O)c(C[N@H+]2CC[C@@H](OC)C[C@@H]2C)c(Cl)c1 ZINC001236805409 819601640 /nfs/dbraw/zinc/60/16/40/819601640.db2.gz FSINOCIGESBCTR-WDEREUQCSA-N 1 0 299.798 3.054 20 10 CGCDRO COc1ccc2c(c1)C[N@@H+](Cc1c(C)cc(OC)cc1O)C2 ZINC001236812019 819603886 /nfs/dbraw/zinc/60/38/86/819603886.db2.gz XWIGGUCURNCSDC-UHFFFAOYSA-N 1 0 299.370 3.234 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CCn3cccc3[C@@H]2C)c(O)c1 ZINC001236810798 819604713 /nfs/dbraw/zinc/60/47/13/819604713.db2.gz JIISHUVHRJZHIB-ZDUSSCGKSA-N 1 0 286.375 3.088 20 10 CGCDRO COc1cc(C)c(C[N@H+]2[C@H](C)CCC[C@@H]2C)c(O)c1 ZINC001236818633 819606875 /nfs/dbraw/zinc/60/68/75/819606875.db2.gz PUHXAIAJOCOKHM-BETUJISGSA-N 1 0 263.381 3.472 20 10 CGCDRO Oc1cc2ccccc2cc1C[N@@H+]1CCC[C@@H]1CF ZINC001236836227 819614943 /nfs/dbraw/zinc/61/49/43/819614943.db2.gz ZLZFLPCLTURJLK-OAHLLOKOSA-N 1 0 259.324 3.479 20 10 CGCDRO CC(C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1Cl ZINC001236929600 819637940 /nfs/dbraw/zinc/63/79/40/819637940.db2.gz QTMWYSDMTVZDIF-UHFFFAOYSA-N 1 0 282.815 3.017 20 10 CGCDRO CC(C)c1ccc(C[N@H+]2CCC(=O)[C@H](C)CC2)c(O)c1 ZINC001237044855 819651005 /nfs/dbraw/zinc/65/10/05/819651005.db2.gz FBGKOWCNQGZZSQ-CYBMUJFWSA-N 1 0 275.392 3.317 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2CC(C)(C)C[C@]2(C)CO)c(O)c1 ZINC001237045834 819651109 /nfs/dbraw/zinc/65/11/09/819651109.db2.gz LJRDOQXSYILYCS-GOSISDBHSA-N 1 0 291.435 3.499 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2CCC[C@@H]3CN(C)C[C@@H]32)c(O)c1 ZINC001237050020 819651921 /nfs/dbraw/zinc/65/19/21/819651921.db2.gz VSBPOUDSAHHRKW-WBVHZDCISA-N 1 0 288.435 3.042 20 10 CGCDRO c1cc(N2CCCC2)ccc1C[N@@H+]1CCNC2=CCCC[C@H]21 ZINC001237220962 819701419 /nfs/dbraw/zinc/70/14/19/819701419.db2.gz UOBSARZXCJUEDT-LJQANCHMSA-N 1 0 297.446 3.128 20 10 CGCDRO Cc1cccc(O)c1CN1CC[C@@H](C)C(F)(F)C1 ZINC001237486254 819761852 /nfs/dbraw/zinc/76/18/52/819761852.db2.gz ZRZBBFAYYUGOHG-LLVKDONJSA-N 1 0 255.308 3.178 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCCC[C@](C)(F)C1 ZINC001237485795 819762743 /nfs/dbraw/zinc/76/27/43/819762743.db2.gz SUQYWXUUBVJPAN-HNNXBMFYSA-N 1 0 251.345 3.415 20 10 CGCDRO Cc1cccc(O)c1C[N@H+]1C[C@H]2[C@H](CCC2(F)F)C1 ZINC001237484973 819762766 /nfs/dbraw/zinc/76/27/66/819762766.db2.gz KSCPEYJGZNGFMA-YPMHNXCESA-N 1 0 267.319 3.178 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCOC[C@H]1C1CCCCC1 ZINC001237490813 819763964 /nfs/dbraw/zinc/76/39/64/819763964.db2.gz BNGXILFFRKMKBS-KRWDZBQOSA-N 1 0 289.419 3.482 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H](OCc2ccccc2)C1 ZINC001237490659 819764805 /nfs/dbraw/zinc/76/48/05/819764805.db2.gz ZHWMTJDBCOUFIP-KRWDZBQOSA-N 1 0 297.398 3.492 20 10 CGCDRO COc1cc(C[N@H+](C)Cc2cccs2)c(O)c(OC)c1 ZINC001237676480 819803768 /nfs/dbraw/zinc/80/37/68/819803768.db2.gz OLGQYYSDJGIPHY-UHFFFAOYSA-N 1 0 293.388 3.103 20 10 CGCDRO COc1cc(C[N@@H+]2CCC[C@H](C)[C@H](C)C2)c(O)c(OC)c1 ZINC001237675643 819803834 /nfs/dbraw/zinc/80/38/34/819803834.db2.gz ZSQWAPFJPMGDIS-QWHCGFSZSA-N 1 0 293.407 3.277 20 10 CGCDRO COc1cc(C[N@H+](CC2CC2)C(C)C)c(O)c(OC)c1 ZINC001237676243 819804464 /nfs/dbraw/zinc/80/44/64/819804464.db2.gz LVVLXTMHOGVMBD-UHFFFAOYSA-N 1 0 279.380 3.030 20 10 CGCDRO Cc1cc(F)cc(C[N@@H+]2CC[C@@H](C(F)(F)F)C2)c1O ZINC001238063336 819920797 /nfs/dbraw/zinc/92/07/97/819920797.db2.gz VSDXGLDTJOZAND-SNVBAGLBSA-N 1 0 277.261 3.224 20 10 CGCDRO Cc1cc(C[N@@H+](C)Cc2ccccc2O)ncc1Cl ZINC001238423275 819992051 /nfs/dbraw/zinc/99/20/51/819992051.db2.gz QXHZRJRGPNXQHB-UHFFFAOYSA-N 1 0 276.767 3.381 20 10 CGCDRO CC[NH+](CC)CCn1cc(-c2cccc3c2ccn3C)cn1 ZINC001239208391 820230519 /nfs/dbraw/zinc/23/05/19/820230519.db2.gz RQCSMIOXUAOBJN-UHFFFAOYSA-N 1 0 296.418 3.384 20 10 CGCDRO CO[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2c(C)cc(C)cc2O)C1 ZINC001340609014 936409229 /nfs/dbraw/zinc/40/92/29/936409229.db2.gz BUBVWZJINBHALD-BFHYXJOUSA-N 1 0 263.381 3.227 20 10 CGCDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001341567845 936442541 /nfs/dbraw/zinc/44/25/41/936442541.db2.gz OOBHPZBSWLLBNE-YJBOKZPZSA-N 1 0 288.435 3.022 20 10 CGCDRO Nc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H](O)c2ccccc2)cc1 ZINC001345159306 936804790 /nfs/dbraw/zinc/80/47/90/936804790.db2.gz FWQJRMPVQAMJMS-OALUTQOASA-N 1 0 296.414 3.357 20 10 CGCDRO c1cc(N2CCCC2)ccc1CN1CC[C@]2(C1)CCCC[NH2+]2 ZINC001352790584 937049774 /nfs/dbraw/zinc/04/97/74/937049774.db2.gz RUQYVJTUUXAITM-IBGZPJMESA-N 1 0 299.462 3.005 20 10 CGCDRO COCC[C@H](C)[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC000081709695 928271546 /nfs/dbraw/zinc/27/15/46/928271546.db2.gz CNFXAXAFANJYST-AGIUHOORSA-N 1 0 263.381 3.264 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)[C@@H]2CC2(C)C)c1 ZINC000397595522 928804072 /nfs/dbraw/zinc/80/40/72/928804072.db2.gz DILMRYXWBOKRPJ-WDMOLILDSA-N 1 0 263.381 3.486 20 10 CGCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@](C)(F)[C@H](F)C2)c1O ZINC001140178340 931956841 /nfs/dbraw/zinc/95/68/41/931956841.db2.gz ISKHDSQWGAPTPB-HIFRSBDPSA-N 1 0 269.335 3.281 20 10 CGCDRO CCOc1cccc(C[NH2+][C@H]2CCC[C@@H](F)C2)c1O ZINC001329497976 932004160 /nfs/dbraw/zinc/00/41/60/932004160.db2.gz BNZWMDNFVSXWFS-OLZOCXBDSA-N 1 0 267.344 3.161 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CC2(O)CCCC2)cc1F ZINC001461210588 937569725 /nfs/dbraw/zinc/56/97/25/937569725.db2.gz DQPNXSSWMHARPI-UHFFFAOYSA-N 1 0 294.414 3.067 20 10 CGCDRO CCN(CC)c1ccc(CNCC[C@@H](C)[NH+](C)C)cc1F ZINC001461661557 937591168 /nfs/dbraw/zinc/59/11/68/937591168.db2.gz FVSNTYXCYKIMSK-CQSZACIVSA-N 1 0 295.446 3.102 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@H]32)cc1F ZINC001461811207 937598822 /nfs/dbraw/zinc/59/88/22/937598822.db2.gz NHXUNQKPXQIIJE-UMVBOHGHSA-N 1 0 262.372 3.170 20 10 CGCDRO C[C@@](CO)([NH2+]Cc1ccc(Cl)cc1O)c1ccccc1 ZINC001462108821 937618187 /nfs/dbraw/zinc/61/81/87/937618187.db2.gz BUFCDOXIAYYMCS-INIZCTEOSA-N 1 0 291.778 3.043 20 10 CGCDRO CCOC1CC(CC[NH2+]Cc2c(C)cc(OC)cc2O)C1 ZINC001462114919 937618738 /nfs/dbraw/zinc/61/87/38/937618738.db2.gz GYUXMJIUUUNIPH-UHFFFAOYSA-N 1 0 293.407 3.004 20 10 CGCDRO COc1cc(C)c(C[NH2+]CC(C)(C)C(F)(F)F)c(O)c1 ZINC001462137245 937620306 /nfs/dbraw/zinc/62/03/06/937620306.db2.gz MNQBXLVNJSSSLW-UHFFFAOYSA-N 1 0 291.313 3.387 20 10 CGCDRO COCC1([NH2+]Cc2ccc(Cl)cc2O)CCCC1 ZINC001462418787 937639276 /nfs/dbraw/zinc/63/92/76/937639276.db2.gz BXGUKJSXHUTDLM-UHFFFAOYSA-N 1 0 269.772 3.094 20 10 CGCDRO C[C@@H]([NH2+]Cc1cc(F)ccc1O)c1ccc([N+](=O)[O-])cc1 ZINC001462576272 937651322 /nfs/dbraw/zinc/65/13/22/937651322.db2.gz JKVNKIQIIGPSRE-SNVBAGLBSA-N 1 0 290.294 3.290 20 10 CGCDRO Cc1ccc(CN(CC(=O)OC(C)(C)C)C(C)C)c(O)c1 ZINC001308592740 933138429 /nfs/dbraw/zinc/13/84/29/933138429.db2.gz AGSUNRASQOTTLD-UHFFFAOYSA-N 1 0 293.407 3.253 20 10 CGCDRO C[N@H+](CCC[C@@H]1CCO1)Cc1ccc(N2CCCC2)cc1 ZINC001308747713 933169532 /nfs/dbraw/zinc/16/95/32/933169532.db2.gz SBMSVPBGIYDZHB-GOSISDBHSA-N 1 0 288.435 3.288 20 10 CGCDRO COc1cc(O)c(C[N@H+](C)[C@@H]2CCCC[C@H]2C)cc1OC ZINC001308755618 933171184 /nfs/dbraw/zinc/17/11/84/933171184.db2.gz UXCGMNLYNOZZBG-TZMCWYRMSA-N 1 0 293.407 3.420 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+][C@H]1C[C@@H]2CCC[C@@H]21 ZINC001308844980 933187672 /nfs/dbraw/zinc/18/76/72/933187672.db2.gz DJCLEMUFLPYQCU-XDTLVQLUSA-N 1 0 251.757 3.324 20 10 CGCDRO CO[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccc(C)c(C)c2O)C1 ZINC001320778672 934101457 /nfs/dbraw/zinc/10/14/57/934101457.db2.gz HNGWBSDZSAZTIS-MELADBBJSA-N 1 0 263.381 3.227 20 10 CGCDRO COc1ccc(N2CCC([NH2+][C@@H]3C=CCCC3)CC2)cc1 ZINC001324039074 934452306 /nfs/dbraw/zinc/45/23/06/934452306.db2.gz IYMJJVMOBQUNHQ-OAHLLOKOSA-N 1 0 286.419 3.362 20 10 CGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]C[C@@H]1CCCC[C@H]1O ZINC001324848358 934865564 /nfs/dbraw/zinc/86/55/64/934865564.db2.gz OYADKOKSFHIZOZ-BYNSBNAKSA-N 1 0 289.419 3.390 20 10 CGCDRO COCC[C@@H](C)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001326138974 934954556 /nfs/dbraw/zinc/95/45/56/934954556.db2.gz RGOFQEVSVORLBP-OAHLLOKOSA-N 1 0 276.424 3.049 20 10 CGCDRO C[NH2+][C@H](C)CC[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC001326473702 934982268 /nfs/dbraw/zinc/98/22/68/934982268.db2.gz NVKQAWVPAPCHRG-RKDXNWHRSA-N 1 0 291.222 3.348 20 10 CGCDRO Cc1cnc(CC[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3C)cn1 ZINC001326622245 934995272 /nfs/dbraw/zinc/99/52/72/934995272.db2.gz GUBUYFDMUBWQEB-DOMZBBRYSA-N 1 0 297.402 3.180 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001328730725 935163987 /nfs/dbraw/zinc/16/39/87/935163987.db2.gz QHTAVNCSYHCKHY-NTASLKFISA-N 1 0 273.376 3.158 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2ccc3c(c2)CCC3)c(O)c1 ZINC001332976642 935502368 /nfs/dbraw/zinc/50/23/68/935502368.db2.gz QUPHHKUSEOOGBB-UHFFFAOYSA-N 1 0 267.372 3.479 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@@](C)(CO)C(C)C)cc1C ZINC001474137502 937841738 /nfs/dbraw/zinc/84/17/38/937841738.db2.gz GGWXLKLITNRCHC-KRWDZBQOSA-N 1 0 279.424 3.280 20 10 CGCDRO Cc1cc(O)c(C[N@H+](C)C[C@@H]2CCCC[C@@H]2O)cc1Cl ZINC001474390561 937857092 /nfs/dbraw/zinc/85/70/92/937857092.db2.gz HLGNVYQBIGVNBK-WFASDCNBSA-N 1 0 297.826 3.337 20 10 CGCDRO COc1cc(O)c(C[NH2+][C@@H]2CC[C@H](C)[C@@H](C)C2)cc1OC ZINC001474427858 937859226 /nfs/dbraw/zinc/85/92/26/937859226.db2.gz MZMRLDCCOYCVBQ-SGMGOOAPSA-N 1 0 293.407 3.324 20 10 CGCDRO COc1cc(O)c(C[NH2+][C@@H]2CC[C@@H](C)[C@@H](C)C2)cc1OC ZINC001474427856 937859273 /nfs/dbraw/zinc/85/92/73/937859273.db2.gz MZMRLDCCOYCVBQ-MBNYWOFBSA-N 1 0 293.407 3.324 20 10 CGCDRO Oc1cc(Cl)ccc1C[NH2+]C[C@H]1CCCCN1C1CC1 ZINC001474495594 937863516 /nfs/dbraw/zinc/86/35/16/937863516.db2.gz IPVYSWSZGRKEAL-OAHLLOKOSA-N 1 0 294.826 3.152 20 10 CGCDRO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc1cc(C(C)C)ccc1O ZINC001560740997 938273347 /nfs/dbraw/zinc/27/33/47/938273347.db2.gz IUBQCNDZPMDTGK-QWHCGFSZSA-N 1 0 293.407 3.193 20 10 CGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@@H]1C[C@@H](OC)C12CCC2 ZINC001560809087 938277046 /nfs/dbraw/zinc/27/70/46/938277046.db2.gz YDSYXLGVXXUSFN-IAGOWNOFSA-N 1 0 288.435 3.319 20 10 CGCDRO CO[C@]1(C[NH2+]Cc2cc(C(C)C)ccc2O)CCSC1 ZINC001561016152 938289620 /nfs/dbraw/zinc/28/96/20/938289620.db2.gz PGUJSYTYNCILLU-INIZCTEOSA-N 1 0 295.448 3.127 20 10 CGCDRO CN(CCC1C[NH2+]C1)c1ccc(OCc2ccccc2)cc1 ZINC001578463721 962591264 /nfs/dbraw/zinc/59/12/64/962591264.db2.gz ONTBCTXQOAVMNB-UHFFFAOYSA-N 1 0 296.414 3.311 20 10 CGCDRO COc1cccc2[nH]cc(CC[NH2+]Cc3ccc(N)cc3)c21 ZINC001579288242 962618520 /nfs/dbraw/zinc/61/85/20/962618520.db2.gz MOQZDTKWNUJJBC-UHFFFAOYSA-N 1 0 295.386 3.091 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccc(F)cn1 ZINC000092743105 345856123 /nfs/dbraw/zinc/85/61/23/345856123.db2.gz OXQOKSGLHXSPKE-CYBMUJFWSA-N 1 0 299.393 3.454 20 10 CGCDRO Cc1nc2sccn2c1C[N@@H+](C)Cc1ccccc1O ZINC000091956660 345826621 /nfs/dbraw/zinc/82/66/21/345826621.db2.gz MRNHNVKRIOTWOW-UHFFFAOYSA-N 1 0 287.388 3.042 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]Cc2cccn2C)cc1 ZINC000172627066 346227960 /nfs/dbraw/zinc/22/79/60/346227960.db2.gz IHDCIFLBHSOJJH-UHFFFAOYSA-N 1 0 271.408 3.161 20 10 CGCDRO CC[C@@](C)([NH2+]Cc1ccccc1O)c1nccs1 ZINC000152636545 261066534 /nfs/dbraw/zinc/06/65/34/261066534.db2.gz WSIANDRKEBGCGO-CQSZACIVSA-N 1 0 262.378 3.264 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)OCCO2)c1ccccc1O ZINC000020120814 368804013 /nfs/dbraw/zinc/80/40/13/368804013.db2.gz SLOSRCPYLBYPCJ-GFCCVEGCSA-N 1 0 285.343 3.014 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCc2ccccc2)c1 ZINC000019919915 368784419 /nfs/dbraw/zinc/78/44/19/368784419.db2.gz JKXAIYUHYBHKCN-CYBMUJFWSA-N 1 0 271.360 3.294 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(F)cc2)c1 ZINC000019943854 368788282 /nfs/dbraw/zinc/78/82/82/368788282.db2.gz ZKBJXQKREMFEEH-NSHDSACASA-N 1 0 275.323 3.391 20 10 CGCDRO C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1ccc(F)c(F)c1[O-] ZINC000191210109 296130822 /nfs/dbraw/zinc/13/08/22/296130822.db2.gz JTACMFIGWFEASH-NWDGAFQWSA-N 1 0 298.377 3.053 20 10 CGCDRO COCc1cccc(C[NH2+][C@@H](C)c2ccccc2O)c1 ZINC000038010584 369139743 /nfs/dbraw/zinc/13/97/43/369139743.db2.gz DZOKEVUKCMMYSX-ZDUSSCGKSA-N 1 0 271.360 3.389 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)c1cc(OC)ccc1O)C(C)C ZINC000042584940 369225415 /nfs/dbraw/zinc/22/54/15/369225415.db2.gz FIKSXSHUHWXEEH-FZMZJTMJSA-N 1 0 251.370 3.486 20 10 CGCDRO COc1cccc(C[N@H+](C)Cc2cc(Cl)cn2C)c1O ZINC000091931125 370081886 /nfs/dbraw/zinc/08/18/86/370081886.db2.gz AEIJQIKJXFTDQE-UHFFFAOYSA-N 1 0 294.782 3.025 20 10 CGCDRO CC[C@H]([NH2+]CCCn1ccnc1)c1ccc(N(C)C)cc1 ZINC000151131252 371573765 /nfs/dbraw/zinc/57/37/65/371573765.db2.gz FPRBAUGQLIPXAH-KRWDZBQOSA-N 1 0 286.423 3.080 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](C)[C@@H](O)c2ccccc2)cc1C ZINC000288443814 371737207 /nfs/dbraw/zinc/73/72/07/371737207.db2.gz CMMQADKCVZUFKH-KBXCAEBGSA-N 1 0 285.387 3.215 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@H]2c3ccccc3O[C@H]2C)c1 ZINC000289249064 371751807 /nfs/dbraw/zinc/75/18/07/371751807.db2.gz AWOXLKBHFPCXQH-APPDUMDISA-N 1 0 285.343 3.013 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1cc(F)ccc1O ZINC000159969422 372200753 /nfs/dbraw/zinc/20/07/53/372200753.db2.gz KTNHTDWGIDHJBX-ZYHUDNBSSA-N 1 0 267.344 3.140 20 10 CGCDRO CC[N@H+](Cc1cc(-c2ccccc2)ccc1O)[C@@H](C)CO ZINC000293665849 372442568 /nfs/dbraw/zinc/44/25/68/372442568.db2.gz OHEYGTGIXWPNAN-AWEZNQCLSA-N 1 0 285.387 3.262 20 10 CGCDRO CO[C@H](C[NH2+][C@H](C)c1c(C)cc(C)cc1O)C1CC1 ZINC000293713147 372459073 /nfs/dbraw/zinc/45/90/73/372459073.db2.gz MXHPQUGDIRKMCH-IUODEOHRSA-N 1 0 263.381 3.085 20 10 CGCDRO Oc1ccc2ccccc2c1C[N@@H+]1CCC[C@@H]1CF ZINC000293920187 372525062 /nfs/dbraw/zinc/52/50/62/372525062.db2.gz GPPRIGMQVCGOFX-CYBMUJFWSA-N 1 0 259.324 3.479 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2cnccc2OC)cc1 ZINC000294039187 372562289 /nfs/dbraw/zinc/56/22/89/372562289.db2.gz FYRMUPDVQKGFQE-AWEZNQCLSA-N 1 0 299.418 3.397 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CCOC[C@H]2C)c(O)c1 ZINC000294101729 372580896 /nfs/dbraw/zinc/58/08/96/372580896.db2.gz JLLZXNVQAOHVHL-ILXRZTDVSA-N 1 0 277.408 3.332 20 10 CGCDRO CC[C@H]([NH2+]Cc1cnccc1OC)c1ccc(N(C)C)cc1 ZINC000293979872 372544638 /nfs/dbraw/zinc/54/46/38/372544638.db2.gz BHHMUCXMQJBQSL-KRWDZBQOSA-N 1 0 299.418 3.397 20 10 CGCDRO Cc1cc(C)n(CCC[NH2+][C@@H](C)c2cc(C)ccc2O)n1 ZINC000168735509 372617333 /nfs/dbraw/zinc/61/73/33/372617333.db2.gz NLUUVMMJZPHCLX-HNNXBMFYSA-N 1 0 287.407 3.255 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC2CCSCC2)c1 ZINC000168773044 372619309 /nfs/dbraw/zinc/61/93/09/372619309.db2.gz YJVKCGBIJHJARI-GFCCVEGCSA-N 1 0 265.422 3.494 20 10 CGCDRO CC[C@H](C)[C@@H](C[NH2+][C@@H](C)c1cc(OC)ccc1O)OC ZINC000294227905 372620573 /nfs/dbraw/zinc/62/05/73/372620573.db2.gz NZUXHUZPFAIGEO-MQIPJXDCSA-N 1 0 281.396 3.113 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](O)CC(C)(C)C2)c1O ZINC000295167885 372696975 /nfs/dbraw/zinc/69/69/75/372696975.db2.gz FQSPUNTXVHLDCA-AWEZNQCLSA-N 1 0 297.826 3.337 20 10 CGCDRO Cc1cnccc1C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000294593743 372662454 /nfs/dbraw/zinc/66/24/54/372662454.db2.gz SKHBVKLLAHRYEY-UHFFFAOYSA-N 1 0 269.392 3.088 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@H](C)CCCO)cc1 ZINC000294754933 372669680 /nfs/dbraw/zinc/66/96/80/372669680.db2.gz IPJGCUZEMVMPQI-OAHLLOKOSA-N 1 0 278.440 3.031 20 10 CGCDRO CCC1([NH2+]Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000294787439 372672762 /nfs/dbraw/zinc/67/27/62/372672762.db2.gz LQGDQGLGIIANKX-UHFFFAOYSA-N 1 0 255.745 3.086 20 10 CGCDRO Oc1ccc(F)cc1CNc1ccc2c([nH+]1)CCC2 ZINC000294993544 372684363 /nfs/dbraw/zinc/68/43/63/372684363.db2.gz ZHYDIRFQBNEJSP-UHFFFAOYSA-N 1 0 258.296 3.027 20 10 CGCDRO Cc1cc(C[N@H+](C)Cc2ccccn2)ccc1N(C)C ZINC000295134590 372693929 /nfs/dbraw/zinc/69/39/29/372693929.db2.gz KGFCDXHRBCGEKV-UHFFFAOYSA-N 1 0 269.392 3.088 20 10 CGCDRO CCOc1cccc(C[NH2+]CCSC(F)(F)F)c1O ZINC000171128315 372716723 /nfs/dbraw/zinc/71/67/23/372716723.db2.gz DBNAIRMBNPNYGR-UHFFFAOYSA-N 1 0 295.326 3.134 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H](C)CCCO)c1cccc(Cl)c1[O-] ZINC000296331573 373093941 /nfs/dbraw/zinc/09/39/41/373093941.db2.gz HJEQIFPOFVDIML-BXUZGUMPSA-N 1 0 285.815 3.495 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H](C)CCCO)c1ccc(N(C)C)cc1 ZINC000296526802 373165504 /nfs/dbraw/zinc/16/55/04/373165504.db2.gz QFUQCURDHCQWRZ-RHSMWYFYSA-N 1 0 278.440 3.202 20 10 CGCDRO C[C@@H](CCCO)C[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000296603844 373193459 /nfs/dbraw/zinc/19/34/59/373193459.db2.gz VUAYKGJIKXWIQW-QWRGUYRKSA-N 1 0 271.788 3.105 20 10 CGCDRO C[C@H](CC(C)(C)O)[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000296653793 373209567 /nfs/dbraw/zinc/20/95/67/373209567.db2.gz ZCHMADLPBSYMOO-NXEZZACHSA-N 1 0 271.788 3.246 20 10 CGCDRO COC(C)(C)C[C@H](C)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297890314 373283327 /nfs/dbraw/zinc/28/33/27/373283327.db2.gz VMSAJLOAVKFFQK-AAEUAGOBSA-N 1 0 263.381 3.173 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000179950829 373944780 /nfs/dbraw/zinc/94/47/80/373944780.db2.gz TYAHOJGDLONGTF-NSHDSACASA-N 1 0 259.271 3.167 20 10 CGCDRO Oc1ccc(F)cc1C[NH+]1CCC(C(F)(F)F)CC1 ZINC000179915336 373938671 /nfs/dbraw/zinc/93/86/71/373938671.db2.gz GQXGJTRCSWKJHG-UHFFFAOYSA-N 1 0 277.261 3.306 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CC(C)(C)OC2(C)C)c1 ZINC000180369659 373995011 /nfs/dbraw/zinc/99/50/11/373995011.db2.gz MOHJUERZBJFVRF-CQSZACIVSA-N 1 0 263.381 3.136 20 10 CGCDRO COc1cc(O)c(C[NH2+]CCC2=CCCCC2)cc1OC ZINC000182125793 374223465 /nfs/dbraw/zinc/22/34/65/374223465.db2.gz AAEBKPVUNCRSPP-UHFFFAOYSA-N 1 0 291.391 3.390 20 10 CGCDRO C[C@@H]([NH2+]CCCCNc1ccccn1)c1ccccc1O ZINC000183486860 374418053 /nfs/dbraw/zinc/41/80/53/374418053.db2.gz INETUYCJEWZDEY-CQSZACIVSA-N 1 0 285.391 3.330 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCn3cccc3[C@@H]2C)c1O ZINC000183511969 374422391 /nfs/dbraw/zinc/42/23/91/374422391.db2.gz SUJDXBQEKGIQIK-ZDUSSCGKSA-N 1 0 256.349 3.079 20 10 CGCDRO CCC(CC)(CCO)C[NH2+][C@H](C)c1ccccc1O ZINC000183540276 374426990 /nfs/dbraw/zinc/42/69/90/374426990.db2.gz OLCAXQQQLMKBFP-CYBMUJFWSA-N 1 0 265.397 3.232 20 10 CGCDRO C[C@H]([NH2+][C@H](CCO)C1CCCCC1)c1ccccc1O ZINC000183569252 374429055 /nfs/dbraw/zinc/42/90/55/374429055.db2.gz UATRWSASOURWFA-XJKSGUPXSA-N 1 0 277.408 3.374 20 10 CGCDRO C/C=C/C[C@H](CO)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000185812047 374742251 /nfs/dbraw/zinc/74/22/51/374742251.db2.gz YSJUVUURTVOTCB-RCAFFNEUSA-N 1 0 288.435 3.094 20 10 CGCDRO COc1ccc(O)c(C[NH2+]CCCCCSC)c1 ZINC000187673343 375068939 /nfs/dbraw/zinc/06/89/39/375068939.db2.gz GXYOLPPQJLTVMN-UHFFFAOYSA-N 1 0 269.410 3.024 20 10 CGCDRO Oc1ccccc1C[NH2+]CCc1ccccc1OC(F)F ZINC000190886346 375546064 /nfs/dbraw/zinc/54/60/64/375546064.db2.gz CMQQRGVVSBZXRR-UHFFFAOYSA-N 1 0 293.313 3.326 20 10 CGCDRO Oc1ccccc1C[NH2+]C[C@@H]1CCO[C@H]1c1ccccc1 ZINC000192376589 375740940 /nfs/dbraw/zinc/74/09/40/375740940.db2.gz BNZLTGNZDSIJQH-WMZOPIPTSA-N 1 0 283.371 3.260 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)C2CC(F)(F)C2)c1 ZINC000529568772 375927935 /nfs/dbraw/zinc/92/79/35/375927935.db2.gz GQGKHNANIXCWIX-UWVGGRQHSA-N 1 0 285.334 3.485 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+]CC[C@@H]2CCCOC2)c1O ZINC000529636809 375930481 /nfs/dbraw/zinc/93/04/81/375930481.db2.gz HUMWMOHUJPGKMI-LBPRGKRZSA-N 1 0 283.799 3.260 20 10 CGCDRO C[C@H]([NH2+]CCCO)c1ccc(N2CCCCCC2)cc1 ZINC000268742865 378101883 /nfs/dbraw/zinc/10/18/83/378101883.db2.gz ZDNNVRHWXQDTNC-HNNXBMFYSA-N 1 0 276.424 3.100 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)Cn1ccnc1)c1ccc(N(C)C)cc1 ZINC000268788889 378111088 /nfs/dbraw/zinc/11/10/88/378111088.db2.gz CHLQYISJPWZTQO-YOEHRIQHSA-N 1 0 286.423 3.079 20 10 CGCDRO COc1ccc(OC)c(C[NH2+][C@H](C)c2ccccc2O)c1 ZINC000269370327 378213681 /nfs/dbraw/zinc/21/36/81/378213681.db2.gz WKUAVKFCEBFGAB-GFCCVEGCSA-N 1 0 287.359 3.260 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1CCO[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000271478502 378495592 /nfs/dbraw/zinc/49/55/92/378495592.db2.gz DCBMDCAZYGJCPV-KFWWJZLASA-N 1 0 276.424 3.218 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCO[C@H](C(C)C)C2)c1 ZINC000271574056 378497723 /nfs/dbraw/zinc/49/77/23/378497723.db2.gz UNMUGYJJRLFJRG-YOEHRIQHSA-N 1 0 293.407 3.084 20 10 CGCDRO Cc1cc(C)cc([C@@H](O)C[NH2+][C@H](C)c2ccccc2O)c1 ZINC000271699012 378500653 /nfs/dbraw/zinc/50/06/53/378500653.db2.gz SYPFLSCETZWFEH-KDOFPFPSSA-N 1 0 285.387 3.393 20 10 CGCDRO Cc1cccc(C[N@H+](C)C[C@@H]2OCCc3ccccc32)c1O ZINC000271723833 378502886 /nfs/dbraw/zinc/50/28/86/378502886.db2.gz KVBULLVALKGQST-SFHVURJKSA-N 1 0 297.398 3.446 20 10 CGCDRO COC1(C)CC[NH+](Cc2cc(Cl)cc(C)c2O)CC1 ZINC000272372551 378623538 /nfs/dbraw/zinc/62/35/38/378623538.db2.gz PPOYKTHJMFVCKL-UHFFFAOYSA-N 1 0 283.799 3.355 20 10 CGCDRO C[C@@H](O)[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000272477515 378646596 /nfs/dbraw/zinc/64/65/96/378646596.db2.gz BNMMFUOCVGFBRF-RHSMWYFYSA-N 1 0 297.398 3.262 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H](O)CCc2ccccc2)cc1C ZINC000273081304 378735585 /nfs/dbraw/zinc/73/55/85/378735585.db2.gz IZMKJEDOYUGMKE-SFHVURJKSA-N 1 0 299.414 3.092 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccn(C)c2)c(O)c1C ZINC000273555374 378752636 /nfs/dbraw/zinc/75/26/36/378752636.db2.gz GTRLWFLKFLAUJP-ZDUSSCGKSA-N 1 0 258.365 3.198 20 10 CGCDRO CSC[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000273577869 378754773 /nfs/dbraw/zinc/75/47/73/378754773.db2.gz MBGSJKSEITUUEP-PWSUYJOCSA-N 1 0 253.411 3.411 20 10 CGCDRO COc1cccc(C[N@@H+]2Cc3ccccc3OC[C@@H]2C)c1O ZINC000272812901 378708425 /nfs/dbraw/zinc/70/84/25/378708425.db2.gz AZZKHOCMRJTOOR-ZDUSSCGKSA-N 1 0 299.370 3.184 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCOC2)c(O)c1C ZINC000273621507 378758217 /nfs/dbraw/zinc/75/82/17/378758217.db2.gz ZERJAONBEJQCDU-RDBSUJKOSA-N 1 0 263.381 3.085 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCC=C(Br)C2)c1O ZINC000282345314 379902466 /nfs/dbraw/zinc/90/24/66/379902466.db2.gz OZYNAOURMLFGPT-UHFFFAOYSA-N 1 0 282.181 3.185 20 10 CGCDRO CCCC[N@H+](Cc1ccno1)Cc1ccccc1O ZINC000282368445 379905597 /nfs/dbraw/zinc/90/55/97/379905597.db2.gz DYKUDNJTOHKWSY-UHFFFAOYSA-N 1 0 260.337 3.183 20 10 CGCDRO Cc1n[nH]cc1CCC[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000284199485 380136298 /nfs/dbraw/zinc/13/62/98/380136298.db2.gz SAKLLGOCNPORTF-CQSZACIVSA-N 1 0 287.407 3.324 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCOC(C)C)c(O)c1 ZINC000284983129 380143116 /nfs/dbraw/zinc/14/31/16/380143116.db2.gz GEHUSCGPANIQCK-ZDUSSCGKSA-N 1 0 251.370 3.085 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H](C)C[C@H](C)O)c(O)c1 ZINC000283952749 380108841 /nfs/dbraw/zinc/10/88/41/380108841.db2.gz FUVUBJYYJCJVHA-XBFCOCLRSA-N 1 0 265.397 3.067 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H](C)C[C@@H](C)O)c(O)c1 ZINC000283952747 380109159 /nfs/dbraw/zinc/10/91/59/380109159.db2.gz FUVUBJYYJCJVHA-BNOWGMLFSA-N 1 0 265.397 3.067 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCCOC(C)C)c(O)c1 ZINC000284184939 380134615 /nfs/dbraw/zinc/13/46/15/380134615.db2.gz RFXMRNZOWJGENS-CQSZACIVSA-N 1 0 265.397 3.475 20 10 CGCDRO CCCO[C@H]1CCC[N@H+](Cc2cccc(OC)c2O)CC1 ZINC000093317410 392237786 /nfs/dbraw/zinc/23/77/86/392237786.db2.gz UJNNKYCRPJHEIA-HNNXBMFYSA-N 1 0 293.407 3.182 20 10 CGCDRO CCOC[C@@H]1CCC[N@H+](Cc2cccc(OCC)c2O)C1 ZINC000093419137 392237829 /nfs/dbraw/zinc/23/78/29/392237829.db2.gz AUMGDHXKBXQFKG-CQSZACIVSA-N 1 0 293.407 3.039 20 10 CGCDRO CC[C@H]([NH2+]C[C@](C)(O)c1ccccc1)c1ccccc1O ZINC000121100395 392409325 /nfs/dbraw/zinc/40/93/25/392409325.db2.gz KLPYWKVCSCKDRQ-WMZOPIPTSA-N 1 0 285.387 3.341 20 10 CGCDRO COCC[C@@H]1CCCC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000368668814 392494504 /nfs/dbraw/zinc/49/45/04/392494504.db2.gz ZMQCNYLVIREYMX-AWEZNQCLSA-N 1 0 293.407 3.039 20 10 CGCDRO COc1ccc(C[NH2+]Cc2cccc(C)c2O)cc1OC ZINC000158070052 392553350 /nfs/dbraw/zinc/55/33/50/392553350.db2.gz YREVGABQTQOWKN-UHFFFAOYSA-N 1 0 287.359 3.008 20 10 CGCDRO Cc1ncsc1C[N@@H+](C)Cc1cc(C)c(C)cc1O ZINC000172495573 392619938 /nfs/dbraw/zinc/61/99/38/392619938.db2.gz GRCRLXYRXOYCJP-UHFFFAOYSA-N 1 0 276.405 3.406 20 10 CGCDRO CCCN(C[C@H]1CCC=CO1)c1ccc(C[NH3+])cc1 ZINC000194979416 392948606 /nfs/dbraw/zinc/94/86/06/392948606.db2.gz VBYSXQNGFCGQET-MRXNPFEDSA-N 1 0 260.381 3.054 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]CCc2cccs2)c1O ZINC000228669541 393020361 /nfs/dbraw/zinc/02/03/61/393020361.db2.gz WAPPEDBCKARRRN-UHFFFAOYSA-N 1 0 297.807 3.448 20 10 CGCDRO C[C@H](C[NH2+]Cc1c(O)cccc1Cl)c1nccs1 ZINC000230693346 393025122 /nfs/dbraw/zinc/02/51/22/393025122.db2.gz VTEOCMVXXYHVAV-SECBINFHSA-N 1 0 282.796 3.395 20 10 CGCDRO C[C@H]([NH2+]Cc1cccc2c1OCO2)c1ccc(N(C)C)cc1 ZINC000237498123 393036437 /nfs/dbraw/zinc/03/64/37/393036437.db2.gz CEDCXOJPWFQQAG-ZDUSSCGKSA-N 1 0 298.386 3.332 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2ccccn2)c1 ZINC000020123493 171004593 /nfs/dbraw/zinc/00/45/93/171004593.db2.gz LLHCDLOJCIZHDC-VXGBXAGGSA-N 1 0 272.348 3.208 20 10 CGCDRO COc1cccc(C[NH2+][C@@H]2CCc3ccccc32)c1O ZINC000020129774 171018803 /nfs/dbraw/zinc/01/88/03/171018803.db2.gz PUPYCVIGFGABML-OAHLLOKOSA-N 1 0 269.344 3.178 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](CC(C)C)N(C)C)c1 ZINC000035628951 172308223 /nfs/dbraw/zinc/30/82/23/172308223.db2.gz XSDLGLHHZRZPBL-HUUCEWRRSA-N 1 0 278.440 3.328 20 10 CGCDRO CC(C)C[C@@H](CN(C)C)[NH2+][C@@H](C)c1ccccc1O ZINC000037167213 173001219 /nfs/dbraw/zinc/00/12/19/173001219.db2.gz RPNKYNMWBLGRTC-KBPBESRZSA-N 1 0 264.413 3.019 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000037362691 173151990 /nfs/dbraw/zinc/15/19/90/173151990.db2.gz FPFKVSGPHVRNGI-UHFFFAOYSA-N 1 0 253.345 3.220 20 10 CGCDRO Cc1csc(C[NH2+][C@@H](C)c2cc(C)ccc2O)n1 ZINC000038090953 174104846 /nfs/dbraw/zinc/10/48/46/174104846.db2.gz GFGBZRGYSQGSRK-NSHDSACASA-N 1 0 262.378 3.316 20 10 CGCDRO COc1ccc(C[NH2+]Cc2ccc(N(C)C)cc2)cc1F ZINC000037496240 260112913 /nfs/dbraw/zinc/11/29/13/260112913.db2.gz SUTUNAWYHMFZQH-UHFFFAOYSA-N 1 0 288.366 3.190 20 10 CGCDRO Oc1ccccc1C[N@H+](Cc1cc[nH]n1)C1CCCCC1 ZINC000156785357 261132143 /nfs/dbraw/zinc/13/21/43/261132143.db2.gz SQBFBPDJXHWDQQ-UHFFFAOYSA-N 1 0 285.391 3.450 20 10 CGCDRO CC[C@@H]([NH2+]CC(C)(C)[C@@H](O)C(C)C)c1ccccc1O ZINC000156910829 261135380 /nfs/dbraw/zinc/13/53/80/261135380.db2.gz XPWPMQSZRRZMOE-ZBFHGGJFSA-N 1 0 279.424 3.476 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCOC(C)(C)C2)cc1C ZINC000160457468 261214343 /nfs/dbraw/zinc/21/43/43/261214343.db2.gz TUJCUGYWRMADRJ-CQSZACIVSA-N 1 0 263.381 3.056 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC[C@@H]2CCCCO2)c1 ZINC000182895356 261465333 /nfs/dbraw/zinc/46/53/33/261465333.db2.gz BGZSGTUFTOIVIJ-STQMWFEESA-N 1 0 279.380 3.011 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@](C)(O)c2cccs2)cc1C ZINC000174421760 261570877 /nfs/dbraw/zinc/57/08/77/261570877.db2.gz KJDQCJHBVONCRV-INIZCTEOSA-N 1 0 291.416 3.068 20 10 CGCDRO Cc1noc(C)c1CC[NH2+][C@H](C)c1cc(C)ccc1O ZINC000185395826 262052813 /nfs/dbraw/zinc/05/28/13/262052813.db2.gz POIGDTJMYBENMD-LLVKDONJSA-N 1 0 274.364 3.199 20 10 CGCDRO CCCC(O)(CCC)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000185500764 262057177 /nfs/dbraw/zinc/05/71/77/262057177.db2.gz KJMGCHFPXFRHLS-ZDUSSCGKSA-N 1 0 295.423 3.383 20 10 CGCDRO CCC(CC)(CCO)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000185620939 262062847 /nfs/dbraw/zinc/06/28/47/262062847.db2.gz GBTRWMYACNUGTK-ZDUSSCGKSA-N 1 0 295.423 3.240 20 10 CGCDRO C[C@H]([NH2+][C@H]1C[C@@H](C)N(C2CC2)C1)c1cc(Cl)ccc1O ZINC000185671908 262065308 /nfs/dbraw/zinc/06/53/08/262065308.db2.gz WSIXCPIOTRHROA-MDZLAQPJSA-N 1 0 294.826 3.321 20 10 CGCDRO Cc1cc(C[C@H](C)[NH2+][C@@H](C)c2ccc(C)cc2O)[nH]n1 ZINC000186131332 262081258 /nfs/dbraw/zinc/08/12/58/262081258.db2.gz MWYSUFZOIISSQF-AAEUAGOBSA-N 1 0 273.380 3.014 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C2(C3CC3)CCOCC2)cc1C ZINC000364043096 262117338 /nfs/dbraw/zinc/11/73/38/262117338.db2.gz QWZARTBQKSERKI-UHFFFAOYSA-N 1 0 275.392 3.058 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCCCO2)c(O)c1 ZINC000186515725 262315835 /nfs/dbraw/zinc/31/58/35/262315835.db2.gz FFGDXKCJEUTMGW-KGLIPLIRSA-N 1 0 263.381 3.310 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2CC[C@H](N3CCCC3)[C@@H]2C)cc1C ZINC000288135282 263103596 /nfs/dbraw/zinc/10/35/96/263103596.db2.gz ABQFQFFCYGATTE-RDJZCZTQSA-N 1 0 288.435 3.068 20 10 CGCDRO CCOC[C@H]([NH2+][C@H](C)c1cc(OC)ccc1O)C(C)C ZINC000189364212 264293440 /nfs/dbraw/zinc/29/34/40/264293440.db2.gz QSXPDGWBLGYLOS-DOMZBBRYSA-N 1 0 281.396 3.113 20 10 CGCDRO CCOC[C@@H]([NH2+][C@H](C)c1cc(OC)ccc1O)C(C)C ZINC000189364237 264293861 /nfs/dbraw/zinc/29/38/61/264293861.db2.gz QSXPDGWBLGYLOS-IUODEOHRSA-N 1 0 281.396 3.113 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c1O ZINC000367740017 267114370 /nfs/dbraw/zinc/11/43/70/267114370.db2.gz IXSLTCAQVZOLRK-CHWSQXEVSA-N 1 0 295.810 3.212 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+][C@H]1CCCC12CCOCC2 ZINC000370582507 267329991 /nfs/dbraw/zinc/32/99/91/267329991.db2.gz FQJWJZKCJHEHME-HNNXBMFYSA-N 1 0 295.810 3.485 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CCc3ccsc3C2)c1O ZINC000127061368 276380072 /nfs/dbraw/zinc/38/00/72/276380072.db2.gz DKBPHRWFBNWPMW-UHFFFAOYSA-N 1 0 289.400 3.411 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1cc(F)ccc1O ZINC000273519129 278385418 /nfs/dbraw/zinc/38/54/18/278385418.db2.gz TUBLVGJJNRTQAT-YPMHNXCESA-N 1 0 279.355 3.284 20 10 CGCDRO CC[C@H](CSC)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296869338 280857673 /nfs/dbraw/zinc/85/76/73/280857673.db2.gz NVCKAQWVSRSIAI-VXGBXAGGSA-N 1 0 251.395 3.111 20 10 CGCDRO Cc1cccc(C[NH2+][C@H]2CCOc3c(F)cccc32)c1O ZINC000191197116 281218996 /nfs/dbraw/zinc/21/89/96/281218996.db2.gz RZYNBDVJJGRBQM-HNNXBMFYSA-N 1 0 287.334 3.453 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)c1nnc(C)s1)c1ccccc1O ZINC000274793721 328010928 /nfs/dbraw/zinc/01/09/28/328010928.db2.gz SOXBSBKMEYFEHX-CABZTGNLSA-N 1 0 277.393 3.354 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCc2nccnc2C)c(O)c1 ZINC000295063160 328284859 /nfs/dbraw/zinc/28/48/59/328284859.db2.gz RKLDFSNGNIAKCC-CQSZACIVSA-N 1 0 285.391 3.001 20 10 CGCDRO COc1cccc(C[NH2+][C@@H](C)Cc2ccc(C)s2)c1O ZINC000078003613 326924132 /nfs/dbraw/zinc/92/41/32/326924132.db2.gz ZPSKIJJXZSQLPZ-NSHDSACASA-N 1 0 291.416 3.492 20 10 CGCDRO Cc1cc(NCc2ccc(N(C)C)c(F)c2)cc[nH+]1 ZINC000302595451 326992779 /nfs/dbraw/zinc/99/27/79/326992779.db2.gz XINJWCHOETYVSG-UHFFFAOYSA-N 1 0 259.328 3.207 20 10 CGCDRO CC(C)C[C@H](CCO)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000154625722 327587149 /nfs/dbraw/zinc/58/71/49/327587149.db2.gz UFLHHZJXUIBSBJ-HOTGVXAUSA-N 1 0 292.467 3.448 20 10 CGCDRO Oc1ccccc1C[NH2+][C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12 ZINC000527750121 330280957 /nfs/dbraw/zinc/28/09/57/330280957.db2.gz UONHIWFALWRKDB-USXIJHARSA-N 1 0 285.774 3.474 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]C[C@@H]2CCN2C2CCCCC2)c1 ZINC000527752186 330281115 /nfs/dbraw/zinc/28/11/15/330281115.db2.gz NFQMMPSDONFXBH-KRWDZBQOSA-N 1 0 288.435 3.197 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1CCN1C1CCCCC1)c1ccccc1O ZINC000527953401 330294686 /nfs/dbraw/zinc/29/46/86/330294686.db2.gz XOOYDJIDKLKPKN-ZBFHGGJFSA-N 1 0 288.435 3.450 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]CC[C@@H]2CCCOC2)c(O)c1 ZINC000527924163 330296159 /nfs/dbraw/zinc/29/61/59/330296159.db2.gz HIQRPZCKVKVNPM-GJZGRUSLSA-N 1 0 277.408 3.476 20 10 CGCDRO CCn1ncc(C[NH2+][C@@H](C)c2ccc3ccccc3c2O)n1 ZINC000527925001 330296389 /nfs/dbraw/zinc/29/63/89/330296389.db2.gz SRHJFWNQUZAEKR-LBPRGKRZSA-N 1 0 296.374 3.008 20 10 CGCDRO CCO[C@@]1(C)C[C@H]1[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000527980505 330298128 /nfs/dbraw/zinc/29/81/28/330298128.db2.gz QCFKPFITLKJDES-FZZIBODNSA-N 1 0 269.772 3.264 20 10 CGCDRO CC[C@H]([NH2+][C@H]1[C@@H](C)[C@H](C)O[C@H]1C)c1ccccc1O ZINC000527999978 330300065 /nfs/dbraw/zinc/30/00/65/330300065.db2.gz DWMSCQPSAXSNCH-HNRKBYSSSA-N 1 0 263.381 3.245 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1O ZINC000272800408 334756523 /nfs/dbraw/zinc/75/65/23/334756523.db2.gz BGQHVEVTEOWTES-NVXWUHKLSA-N 1 0 296.414 3.317 20 10 CGCDRO C[C@@H]([NH2+]CCC(C)(C)O)c1ccc2ccccc2c1O ZINC000274753698 334783602 /nfs/dbraw/zinc/78/36/02/334783602.db2.gz BJYSDFZFJSCRNY-GFCCVEGCSA-N 1 0 273.376 3.357 20 10 CGCDRO COc1ccc(C[NH2+][C@H](C)c2ccccc2O)cc1F ZINC000179878220 500849870 /nfs/dbraw/zinc/84/98/70/500849870.db2.gz RHKVWSQKJQQLEL-LLVKDONJSA-N 1 0 275.323 3.391 20 10 CGCDRO CCCN(CC)C[C@@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000290299922 521611227 /nfs/dbraw/zinc/61/12/27/521611227.db2.gz YRKOTEMBSKPCNS-KGLIPLIRSA-N 1 0 264.413 3.163 20 10 CGCDRO CCOc1cccc(C[NH2+]Cc2ccc(OC)cc2)c1O ZINC000019909067 521367263 /nfs/dbraw/zinc/36/72/63/521367263.db2.gz WOUSJYXISIHNHF-UHFFFAOYSA-N 1 0 287.359 3.089 20 10 CGCDRO CCOc1cccc(C[NH2+][C@H](C)c2cccnc2)c1O ZINC000020127594 521373375 /nfs/dbraw/zinc/37/33/75/521373375.db2.gz UZMNKNCWMOLCJF-GFCCVEGCSA-N 1 0 272.348 3.037 20 10 CGCDRO CCOc1ccccc1C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000020146000 521502317 /nfs/dbraw/zinc/50/23/17/521502317.db2.gz RLMBXZURSVEIGQ-UHFFFAOYSA-N 1 0 284.403 3.441 20 10 CGCDRO CCOC(CC[NH2+][C@H](C)c1cc(C)ccc1O)OCC ZINC000276566062 521629866 /nfs/dbraw/zinc/62/98/66/521629866.db2.gz SJSZOIWBKCQIHH-CYBMUJFWSA-N 1 0 281.396 3.140 20 10 CGCDRO CO[C@]1(C)CCC[N@H+](Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000280329143 521751144 /nfs/dbraw/zinc/75/11/44/521751144.db2.gz RAIAVGLLPGGZRN-QGZVFWFLSA-N 1 0 294.414 3.283 20 10 CGCDRO CC[C@@H](C)N(C)CC[NH2+][C@@H](CC)c1ccccc1O ZINC000155583570 522061626 /nfs/dbraw/zinc/06/16/26/522061626.db2.gz ZIJLDQHFJHMLBJ-HIFRSBDPSA-N 1 0 264.413 3.163 20 10 CGCDRO CN(C)c1ccc(C[N@H+](Cc2ccc(F)cn2)C2CC2)cc1 ZINC000276130560 522172532 /nfs/dbraw/zinc/17/25/32/522172532.db2.gz AWKMVAJEXPMFQC-UHFFFAOYSA-N 1 0 299.393 3.451 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@]2(C)CCCO)cc1F ZINC000290323600 522176975 /nfs/dbraw/zinc/17/69/75/522176975.db2.gz DEWQWFWADDUPFO-KRWDZBQOSA-N 1 0 294.414 3.019 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCOC[C@@H](C3CCC3)C2)cc1 ZINC000292045333 522179910 /nfs/dbraw/zinc/17/99/10/522179910.db2.gz AXSBVHWYDRKEHY-KRWDZBQOSA-N 1 0 288.435 3.001 20 10 CGCDRO COC[C@@H](C)C[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000045656367 522206453 /nfs/dbraw/zinc/20/64/53/522206453.db2.gz KGSZWCSBWMJYIW-QWHCGFSZSA-N 1 0 273.376 3.479 20 10 CGCDRO CC[C@H]([NH2+]CC(C)(C)C[C@@H](C)O)c1ccccc1O ZINC000156658484 522571110 /nfs/dbraw/zinc/57/11/10/522571110.db2.gz IJRZVTCZDKASHF-OCCSQVGLSA-N 1 0 265.397 3.230 20 10 CGCDRO CC[C@H]([NH2+]CC1(CO)CC2(CCC2)C1)c1ccccc1O ZINC000278847590 522574139 /nfs/dbraw/zinc/57/41/39/522574139.db2.gz QDXBFZJVHYQNCR-HNNXBMFYSA-N 1 0 289.419 3.376 20 10 CGCDRO CC[C@H]([NH2+]C[C@H]1CCSC1)c1ccccc1O ZINC000228552460 522635466 /nfs/dbraw/zinc/63/54/66/522635466.db2.gz OTEFXIMLIJBJNO-YPMHNXCESA-N 1 0 251.395 3.186 20 10 CGCDRO CC[C@H]([NH2+]Cc1cccnc1OC)c1ccccc1O ZINC000037650423 522660933 /nfs/dbraw/zinc/66/09/33/522660933.db2.gz AYAXPEZAVAUTMS-AWEZNQCLSA-N 1 0 272.348 3.037 20 10 CGCDRO CC[C@H]([NH2+][C@@H](CO)Cc1ccccc1)c1ccccc1O ZINC000063218195 522707222 /nfs/dbraw/zinc/70/72/22/522707222.db2.gz USERLRLQKMLPBQ-WBVHZDCISA-N 1 0 285.387 3.037 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCSC1)c1ccc(N(C)C)cc1 ZINC000271496277 522722253 /nfs/dbraw/zinc/72/22/53/522722253.db2.gz MJONISDUOFKPEL-HIFRSBDPSA-N 1 0 264.438 3.299 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1O)c1ccc(C)cc1O ZINC000280245664 522727034 /nfs/dbraw/zinc/72/70/34/522727034.db2.gz WICZUIPVHRLKCL-YTQUADARSA-N 1 0 297.398 3.400 20 10 CGCDRO CC[C@@H]([NH2+]CCCCOC)c1ccc(C)cc1O ZINC000280044384 522826469 /nfs/dbraw/zinc/82/64/69/522826469.db2.gz JEZCACCLUONUMG-CQSZACIVSA-N 1 0 251.370 3.168 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ncccc1N(C)C)c1ccc(C)cc1O ZINC000289975953 522895941 /nfs/dbraw/zinc/89/59/41/522895941.db2.gz XPXTWLJYQKHISV-OAHLLOKOSA-N 1 0 299.418 3.403 20 10 CGCDRO CC[C@@H]([NH2+][C@H](C)C1CCOCC1)c1ccccc1O ZINC000156372174 522933927 /nfs/dbraw/zinc/93/39/27/522933927.db2.gz DXYZIHPPEWJIAR-IUODEOHRSA-N 1 0 263.381 3.248 20 10 CGCDRO CC[C@@H]([NH2+][C@H](C)Cn1cccn1)c1ccc(C)cc1O ZINC000279921030 522935334 /nfs/dbraw/zinc/93/53/34/522935334.db2.gz ADPWPIWSTQIWFE-UKRRQHHQSA-N 1 0 273.380 3.027 20 10 CGCDRO C[N@@H+](Cc1ccccc1O)C[C@@H]1OCCc2ccccc21 ZINC000265204955 523384162 /nfs/dbraw/zinc/38/41/62/523384162.db2.gz KHVXQRSCIGPDPL-SFHVURJKSA-N 1 0 283.371 3.138 20 10 CGCDRO CC[C@](C)(CO)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000265759358 523472925 /nfs/dbraw/zinc/47/29/25/523472925.db2.gz JNFNGCQJNZGPQE-GOSISDBHSA-N 1 0 285.387 3.310 20 10 CGCDRO CO[C@@H]1CCC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000076266303 523599246 /nfs/dbraw/zinc/59/92/46/523599246.db2.gz FUQIBRCSAOZQKK-CQSZACIVSA-N 1 0 271.360 3.156 20 10 CGCDRO COc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1C ZINC000037668432 524073096 /nfs/dbraw/zinc/07/30/96/524073096.db2.gz RCPGGGMZGJVNAD-UHFFFAOYSA-N 1 0 286.331 3.202 20 10 CGCDRO Cc1cc(C2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)[nH]n1 ZINC000278855852 524606493 /nfs/dbraw/zinc/60/64/93/524606493.db2.gz MOYYTKKHNQVQDH-UHFFFAOYSA-N 1 0 298.434 3.164 20 10 CGCDRO COc1ncccc1C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000037650209 525060687 /nfs/dbraw/zinc/06/06/87/525060687.db2.gz LARVATBXTXYISN-ZDUSSCGKSA-N 1 0 285.391 3.007 20 10 CGCDRO COc1ncccc1C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000037650210 525063438 /nfs/dbraw/zinc/06/34/38/525063438.db2.gz LARVATBXTXYISN-CYBMUJFWSA-N 1 0 285.391 3.007 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H](CCO)c2ccccc2)cc1C ZINC000266168173 525323976 /nfs/dbraw/zinc/32/39/76/525323976.db2.gz QEFVOWSTPRYXDZ-QGZVFWFLSA-N 1 0 285.387 3.222 20 10 CGCDRO C[C@H]([NH2+]CCF)c1ccc(N2CCCCC2)c(F)c1 ZINC000280921410 525347110 /nfs/dbraw/zinc/34/71/10/525347110.db2.gz DSPDZWQGKZGZLD-LBPRGKRZSA-N 1 0 268.351 3.436 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCc2ccc(O)cc2)c1 ZINC000040735977 525360276 /nfs/dbraw/zinc/36/02/76/525360276.db2.gz IFMJGSJHLBIQKQ-CYBMUJFWSA-N 1 0 271.360 3.300 20 10 CGCDRO C[C@H]([NH2+]CCc1ccsc1)c1cc(F)ccc1O ZINC000094617879 525370544 /nfs/dbraw/zinc/37/05/44/525370544.db2.gz IGMDELGERHCPAQ-JTQLQIEISA-N 1 0 265.353 3.486 20 10 CGCDRO C[C@H]([NH2+]C[C@@H](c1ccco1)N(C)C)c1cc(F)ccc1O ZINC000094616819 525383007 /nfs/dbraw/zinc/38/30/07/525383007.db2.gz AYBXUSHARSSMLZ-FZMZJTMJSA-N 1 0 292.354 3.078 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cc(F)ccc1O ZINC000094616942 525526689 /nfs/dbraw/zinc/52/66/89/525526689.db2.gz PZFYTOTWOKKYFS-GFCCVEGCSA-N 1 0 288.366 3.448 20 10 CGCDRO C[C@H]([NH2+][C@H](CO)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000063000103 525595791 /nfs/dbraw/zinc/59/57/91/525595791.db2.gz OJIWTKXPHQMYST-KBXCAEBGSA-N 1 0 284.403 3.137 20 10 CGCDRO COc1cccc(C[NH2+][C@H](C)c2cc(OC)ccc2O)c1 ZINC000037680185 526037078 /nfs/dbraw/zinc/03/70/78/526037078.db2.gz BUBIFBMKDHEYHK-GFCCVEGCSA-N 1 0 287.359 3.260 20 10 CGCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+][C@H]1CCCC[C@@H]1O ZINC000265263841 526337447 /nfs/dbraw/zinc/33/74/47/526337447.db2.gz RLCXNMFJUYUDQE-HKUYNNGSSA-N 1 0 297.398 3.452 20 10 CGCDRO Oc1ccccc1C[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000280552968 526373553 /nfs/dbraw/zinc/37/35/53/526373553.db2.gz FABHPYNBHAIWLD-WKILWMFISA-N 1 0 253.345 3.428 20 10 CGCDRO c1cc(N2CCCCC2)ccc1C[NH+]1CCSCC1 ZINC000126167346 526431612 /nfs/dbraw/zinc/43/16/12/526431612.db2.gz FFHHOWAELDNVBK-UHFFFAOYSA-N 1 0 276.449 3.226 20 10 CGCDRO OCC[C@H]([NH2+]Cc1cc(-c2ccccc2)ccc1O)C1CC1 ZINC000741259399 572490892 /nfs/dbraw/zinc/49/08/92/572490892.db2.gz XTRLMXGMGYPYBC-SFHVURJKSA-N 1 0 297.398 3.310 20 10 CGCDRO C[C@@H](C[NH2+]Cc1c(O)cccc1Cl)N1CCC(C)CC1 ZINC000733326338 572556290 /nfs/dbraw/zinc/55/62/90/572556290.db2.gz XOJQDOHOJRUGBZ-ZDUSSCGKSA-N 1 0 296.842 3.256 20 10 CGCDRO C[C@@H]1CCC[C@H](C)[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000742155988 572556891 /nfs/dbraw/zinc/55/68/91/572556891.db2.gz VBXBTDUUDKSOQT-NEPJUHHUSA-N 1 0 277.364 3.131 20 10 CGCDRO Cc1cccc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)n1 ZINC000736945304 572826827 /nfs/dbraw/zinc/82/68/27/572826827.db2.gz OTVISFPTQMQJAU-UHFFFAOYSA-N 1 0 269.392 3.088 20 10 CGCDRO CO[C@@H]1CCC[C@H]([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000746754432 572894973 /nfs/dbraw/zinc/89/49/73/572894973.db2.gz KETCFHGQHPFIMY-QWHCGFSZSA-N 1 0 269.772 3.093 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)cc1C ZINC000747831411 572950614 /nfs/dbraw/zinc/95/06/14/572950614.db2.gz MJXJZVIIQHWSHQ-HZPDHXFCSA-N 1 0 289.419 3.258 20 10 CGCDRO CC[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C[C@H](C)OC ZINC000812807773 617858849 /nfs/dbraw/zinc/85/88/49/617858849.db2.gz WPHHAZGMSLSUSF-VIFPVBQESA-N 1 0 275.751 3.042 20 10 CGCDRO CC[C@@H]1CC[C@@H]1[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000806135398 617928322 /nfs/dbraw/zinc/92/83/22/617928322.db2.gz JNWKFTWMPOVYOF-ZBFHGGJFSA-N 1 0 258.409 3.347 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc(OC)nc2)cc1 ZINC000074336808 617965961 /nfs/dbraw/zinc/96/59/61/617965961.db2.gz DGOUUZFSZBISDK-UHFFFAOYSA-N 1 0 299.418 3.226 20 10 CGCDRO COc1cc(C[N@@H+]2CCC[C@@H]2CSC)c(O)cc1C ZINC000160449969 618046543 /nfs/dbraw/zinc/04/65/43/618046543.db2.gz QLIQQBRBYZDYBF-CYBMUJFWSA-N 1 0 281.421 3.037 20 10 CGCDRO COc1cc(C[N@@H+]2CCc3ccsc3C2)c(O)cc1C ZINC000160509391 618080873 /nfs/dbraw/zinc/08/08/73/618080873.db2.gz UOIJYGBWXKLGLY-UHFFFAOYSA-N 1 0 289.400 3.329 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1ccc(N(C)C)cc1 ZINC000160550449 618092273 /nfs/dbraw/zinc/09/22/73/618092273.db2.gz PHVLKTBFRWXIMS-NXHRZFHOSA-N 1 0 290.451 3.344 20 10 CGCDRO COCC[C@H](C)C[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000840835805 618148212 /nfs/dbraw/zinc/14/82/12/618148212.db2.gz QTSXCQRKCZIZJI-SMDDNHRTSA-N 1 0 265.397 3.332 20 10 CGCDRO CCOc1ncccc1C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000184986014 625286581 /nfs/dbraw/zinc/28/65/81/625286581.db2.gz XZSPLBOSAKPNJW-LLVKDONJSA-N 1 0 290.338 3.176 20 10 CGCDRO CCC(CC)[C@H](O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000162195273 618744050 /nfs/dbraw/zinc/74/40/50/618744050.db2.gz YHONBYYQOJJTQP-CXAGYDPISA-N 1 0 278.440 3.200 20 10 CGCDRO CCSCC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000310430323 618793752 /nfs/dbraw/zinc/79/37/52/618793752.db2.gz RLNFQYLFBKYJMY-LBPRGKRZSA-N 1 0 252.427 3.156 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1cnn(C)c1 ZINC000177973455 618852798 /nfs/dbraw/zinc/85/27/98/618852798.db2.gz USDJXATUYULSJM-SFHVURJKSA-N 1 0 298.434 3.261 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCCSC)c1 ZINC000168784320 618914070 /nfs/dbraw/zinc/91/40/70/618914070.db2.gz JTTFYQUHXHBWTH-LLVKDONJSA-N 1 0 269.410 3.195 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@H](C)CCCCO ZINC000840892585 618927514 /nfs/dbraw/zinc/92/75/14/618927514.db2.gz BIRZDYFPOMEKHX-HZPDHXFCSA-N 1 0 292.467 3.133 20 10 CGCDRO COCC[N@H+](Cc1ccccc1)Cc1cc(F)ccc1O ZINC000179882839 619010784 /nfs/dbraw/zinc/01/07/84/619010784.db2.gz MOJLUMBDTLEQSD-UHFFFAOYSA-N 1 0 289.350 3.180 20 10 CGCDRO COC[C@@H](C)C[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000185149006 625312275 /nfs/dbraw/zinc/31/22/75/625312275.db2.gz IFIAMWBBSUHLKR-QWHCGFSZSA-N 1 0 277.408 3.204 20 10 CGCDRO COc1cc(O)c(C[NH2+][C@@H]2CCC[C@H](C)CC2)cc1OC ZINC000191174243 619106723 /nfs/dbraw/zinc/10/67/23/619106723.db2.gz FNXOXOLVGCBZDB-GXTWGEPZSA-N 1 0 293.407 3.468 20 10 CGCDRO CCCN(Cc1ccc(C#N)cc1)c1ccc(C[NH3+])cc1 ZINC000194981277 619144864 /nfs/dbraw/zinc/14/48/64/619144864.db2.gz FLEUDWRIWPOUCX-UHFFFAOYSA-N 1 0 279.387 3.434 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]CCOCC1CCCC1)CC2 ZINC000313255799 619165582 /nfs/dbraw/zinc/16/55/82/619165582.db2.gz SGZZKOPTTVFKEV-OAHLLOKOSA-N 1 0 275.392 3.176 20 10 CGCDRO C[C@@H]1SCC[N@H+](Cc2ccc(N(C)C)cc2)[C@H]1C ZINC000093499398 619201324 /nfs/dbraw/zinc/20/13/24/619201324.db2.gz UQOFWMXBGVGONE-STQMWFEESA-N 1 0 264.438 3.078 20 10 CGCDRO Cc1cncc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000181837718 619218892 /nfs/dbraw/zinc/21/88/92/619218892.db2.gz ICKVPPOOMNVXOU-CQSZACIVSA-N 1 0 269.392 3.307 20 10 CGCDRO C[C@@H]([NH2+][C@H]1COc2ccccc2C1)c1cc(F)ccc1O ZINC000185224624 619222483 /nfs/dbraw/zinc/22/24/83/619222483.db2.gz IBDBZNIMXSJJDR-BXUZGUMPSA-N 1 0 287.334 3.186 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H]1COc2ccccc2O1)c1ccccc1O ZINC000314397295 619225999 /nfs/dbraw/zinc/22/59/99/619225999.db2.gz UAYSTOILUVCMKK-DZGCQCFKSA-N 1 0 299.370 3.273 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCO[C@H](C3CC3)C2)c(Cl)c1 ZINC000840939992 619231375 /nfs/dbraw/zinc/23/13/75/619231375.db2.gz SVLHIUUMQQIYGR-LRDDRELGSA-N 1 0 295.810 3.401 20 10 CGCDRO CO[C@@](C)(C[NH2+]Cc1c(O)cc(C)cc1Cl)C1CC1 ZINC000840947030 619248038 /nfs/dbraw/zinc/24/80/38/619248038.db2.gz CIQIZNZFBDIPLT-HNNXBMFYSA-N 1 0 283.799 3.259 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CCSC2(CCC2)CC1 ZINC000840954917 619260984 /nfs/dbraw/zinc/26/09/84/619260984.db2.gz PYJOEZRMZGNGMQ-UHFFFAOYSA-N 1 0 263.406 3.254 20 10 CGCDRO COCC(C)(C)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000066996105 619267421 /nfs/dbraw/zinc/26/74/21/619267421.db2.gz NPUPKFHQOORUTK-UHFFFAOYSA-N 1 0 276.424 3.192 20 10 CGCDRO CC[C@H]([NH2+]Cc1c(O)cc(C)cc1Cl)[C@H](O)C(C)C ZINC000840969076 619292949 /nfs/dbraw/zinc/29/29/49/619292949.db2.gz YDFNQMYYAPZUCT-DZGCQCFKSA-N 1 0 285.815 3.239 20 10 CGCDRO CC(C)N(C)CC[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000185307236 625339791 /nfs/dbraw/zinc/33/97/91/625339791.db2.gz OLNTYVOCIZTIRW-CQSZACIVSA-N 1 0 290.451 3.262 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCN2CCC[C@@H](C)C2)c1 ZINC000248482290 619380638 /nfs/dbraw/zinc/38/06/38/619380638.db2.gz BZLMPHRNKRAVFK-CABCVRRESA-N 1 0 276.424 3.083 20 10 CGCDRO COc1cc(C)cc(C[NH2+]Cc2cccc(C)c2)c1O ZINC000894163206 619397078 /nfs/dbraw/zinc/39/70/78/619397078.db2.gz MWPTTZZKEBJCIK-UHFFFAOYSA-N 1 0 271.360 3.307 20 10 CGCDRO CC[C@H](C)[C@H](C)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894202817 619412784 /nfs/dbraw/zinc/41/27/84/619412784.db2.gz MHIAUUONBSVZQN-RYUDHWBXSA-N 1 0 251.370 3.233 20 10 CGCDRO Cc1noc(C)c1CC[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000185396236 625355174 /nfs/dbraw/zinc/35/51/74/625355174.db2.gz HEPMZLJQDZHJAH-VIFPVBQESA-N 1 0 278.327 3.029 20 10 CGCDRO COc1cccc(C[NH2+]Cc2ccc(SC)o2)c1O ZINC000894766863 619629952 /nfs/dbraw/zinc/62/99/52/619629952.db2.gz WAHZXPOWXQUAJT-UHFFFAOYSA-N 1 0 279.361 3.006 20 10 CGCDRO C[C@@H]([NH2+]CCOCC(F)F)c1ccc2ccccc2c1O ZINC000188768346 619703982 /nfs/dbraw/zinc/70/39/82/619703982.db2.gz AJKNGNUQYLURTB-LLVKDONJSA-N 1 0 295.329 3.478 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2cnc(Cl)s2)c(O)c1 ZINC000895150755 619757755 /nfs/dbraw/zinc/75/77/55/619757755.db2.gz CWHAJEJSNZIMEL-UHFFFAOYSA-N 1 0 268.769 3.100 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCCC(C)(C)CO)c(O)c1 ZINC000185537554 625372775 /nfs/dbraw/zinc/37/27/75/625372775.db2.gz AQZQJHBUGFLNNZ-CYBMUJFWSA-N 1 0 265.397 3.150 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@@H](C)c2ccccc2O)c1O ZINC000895460720 619833342 /nfs/dbraw/zinc/83/33/42/619833342.db2.gz SYOKWISIWSIWNW-LBPRGKRZSA-N 1 0 287.359 3.266 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]C2CC3(C2)COC(C)(C)C3)c1 ZINC000895579916 619855800 /nfs/dbraw/zinc/85/58/00/619855800.db2.gz FKQHXPZRYRKAEW-UHFFFAOYSA-N 1 0 275.392 3.138 20 10 CGCDRO CC(C)([NH2+]Cc1cc(F)ccc1O)[C@H](O)c1ccccc1 ZINC000895658461 619865439 /nfs/dbraw/zinc/86/54/39/619865439.db2.gz KMTQNNFQCKBPNC-MRXNPFEDSA-N 1 0 289.350 3.133 20 10 CGCDRO CC(C)([NH2+]Cc1ccc2c(c1)CCO2)[C@@H](O)c1ccccc1 ZINC000895659368 619865588 /nfs/dbraw/zinc/86/55/88/619865588.db2.gz WECAMJGTJQSGSY-SFHVURJKSA-N 1 0 297.398 3.223 20 10 CGCDRO C[C@]1(C[NH2+]Cc2cc(F)ccc2O)CCOC2(CCC2)C1 ZINC000895822947 619890992 /nfs/dbraw/zinc/89/09/92/619890992.db2.gz PGPRRGAIYDCTEB-INIZCTEOSA-N 1 0 293.382 3.360 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCC[C@H](c3ccn(C)n3)C2)c1O ZINC000896488925 620013264 /nfs/dbraw/zinc/01/32/64/620013264.db2.gz RNOSALNLHXELJV-HNNXBMFYSA-N 1 0 299.418 3.068 20 10 CGCDRO Cc1cccc(O)c1CN1CCn2nc(C(C)(C)C)cc2C1 ZINC000896942208 620108969 /nfs/dbraw/zinc/10/89/69/620108969.db2.gz ABMODMOFJBRFDM-UHFFFAOYSA-N 1 0 299.418 3.210 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2C[C@@](C)(OC)C2(C)C)c1 ZINC000185618570 625397009 /nfs/dbraw/zinc/39/70/09/625397009.db2.gz QQJCUWYMDXOLFA-XNJJOIOASA-N 1 0 293.407 3.255 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC2(C(F)(F)F)CC2)c1 ZINC000797070454 620174477 /nfs/dbraw/zinc/17/44/77/620174477.db2.gz MNUGPPRVPYKULF-VIFPVBQESA-N 1 0 289.297 3.394 20 10 CGCDRO CCOCC(C)(C)C[NH2+]Cc1cc(Cl)ccc1O ZINC000310872629 620329016 /nfs/dbraw/zinc/32/90/16/620329016.db2.gz SZKYNTZVNAFDBM-UHFFFAOYSA-N 1 0 271.788 3.198 20 10 CGCDRO COc1cccc(C[NH2+]CC[C@@H]2CCC(C)(C)CO2)c1O ZINC000897477552 620345613 /nfs/dbraw/zinc/34/56/13/620345613.db2.gz BKBLPBAVRFYWMC-AWEZNQCLSA-N 1 0 293.407 3.086 20 10 CGCDRO COc1cccc(O)c1C[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000800275583 620348269 /nfs/dbraw/zinc/34/82/69/620348269.db2.gz AYNIZYIKDGWORX-LLVKDONJSA-N 1 0 285.334 3.316 20 10 CGCDRO c1cc2c(cc1C[NH2+]C[C@@H]1CC[C@H](C3CC3)O1)CCCO2 ZINC000897501283 620355636 /nfs/dbraw/zinc/35/56/36/620355636.db2.gz QVMMIQMCRUWUAX-FUHWJXTLSA-N 1 0 287.403 3.059 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CC[C@H](C3CC3)O2)cc1C ZINC000897512436 620360331 /nfs/dbraw/zinc/36/03/31/620360331.db2.gz ZHMCIVBIAOJNGD-NVXWUHKLSA-N 1 0 275.392 3.056 20 10 CGCDRO CO[C@H](CC[NH2+][C@H](C)c1ccc(C)cc1O)C(F)(F)F ZINC000786950345 620432428 /nfs/dbraw/zinc/43/24/28/620432428.db2.gz OHCRUDIBSHVAEV-ZWNOBZJWSA-N 1 0 291.313 3.319 20 10 CGCDRO C[C@H]([NH2+]Cc1cc(Cl)ccc1O)c1cncs1 ZINC000897935072 620451896 /nfs/dbraw/zinc/45/18/96/620451896.db2.gz RLDQWEJIWRAHMX-QMMMGPOBSA-N 1 0 268.769 3.353 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H]32)c1O ZINC000897952297 620453837 /nfs/dbraw/zinc/45/38/37/620453837.db2.gz FQBPRFVGOOSFJC-KWCYVHTRSA-N 1 0 261.365 3.069 20 10 CGCDRO CCOc1cccc(C[NH2+]C[C@@H]2CCCC(C)(C)O2)c1O ZINC000898050490 620465050 /nfs/dbraw/zinc/46/50/50/620465050.db2.gz WRCXJZBATIGGJV-AWEZNQCLSA-N 1 0 293.407 3.228 20 10 CGCDRO c1cc([C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C2CC2)ccn1 ZINC000898325215 620507055 /nfs/dbraw/zinc/50/70/55/620507055.db2.gz ODDDTLIWDGVPTC-SFHVURJKSA-N 1 0 280.371 3.257 20 10 CGCDRO COc1ccc(C[NH2+][C@H](CN)C2CCCCC2)cc1C ZINC000841039667 620517391 /nfs/dbraw/zinc/51/73/91/620517391.db2.gz YMCAHHVBHBNGGE-MRXNPFEDSA-N 1 0 276.424 3.001 20 10 CGCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+][C@H]1CCC[C@@H]1O ZINC000265713921 620533051 /nfs/dbraw/zinc/53/30/51/620533051.db2.gz XIHHTUIMOXWXLS-WMZOPIPTSA-N 1 0 283.371 3.062 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000898512161 620594172 /nfs/dbraw/zinc/59/41/72/620594172.db2.gz IINYIGTWHHMGBR-HOTGVXAUSA-N 1 0 289.419 3.339 20 10 CGCDRO CCNc1ccccc1C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000902041307 621112823 /nfs/dbraw/zinc/11/28/23/621112823.db2.gz ILMLLQJMQYZQEC-UHFFFAOYSA-N 1 0 283.419 3.474 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)N[C@H]2C[NH2+]CC2(C)C)c1O ZINC000902441648 621321056 /nfs/dbraw/zinc/32/10/56/621321056.db2.gz FNACFUNZKVWZSZ-GWCFXTLKSA-N 1 0 282.815 3.003 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+][C@@H]2CCO[C@H]2C2CC2)c(O)c1 ZINC000903261440 621647369 /nfs/dbraw/zinc/64/73/69/621647369.db2.gz VTYZQFXBCMCVEO-MRRJBJDNSA-N 1 0 275.392 3.227 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1O)c1ccc(C)cc1O ZINC000903441147 621749659 /nfs/dbraw/zinc/74/96/59/621749659.db2.gz YEZRFRPSXGOZSF-ZHALLVOQSA-N 1 0 297.398 3.400 20 10 CGCDRO COc1ccc(N(CC2CC2)C[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000903476990 621763664 /nfs/dbraw/zinc/76/36/64/621763664.db2.gz QAJIZJIQKIXGLY-CABCVRRESA-N 1 0 274.408 3.039 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CCCC[C@H]2C)c1 ZINC000042857879 621863316 /nfs/dbraw/zinc/86/33/16/621863316.db2.gz AWLMONQIAZGTHP-OLZOCXBDSA-N 1 0 263.381 3.317 20 10 CGCDRO CCOc1ccc(O)c(C[N@H+](C)[C@@H](C)C(C)C)c1 ZINC000768267484 625532818 /nfs/dbraw/zinc/53/28/18/625532818.db2.gz ABIBQLHSOUNXQW-LBPRGKRZSA-N 1 0 251.370 3.267 20 10 CGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H]1C1CCCC1)OCO2 ZINC000055034950 622809143 /nfs/dbraw/zinc/80/91/43/622809143.db2.gz JGDCVPZDWNFXOW-AWEZNQCLSA-N 1 0 289.375 3.276 20 10 CGCDRO C[C@H]1OCC[N@H+](Cc2c(O)ccc3ccccc32)[C@@H]1C ZINC000164099629 622816696 /nfs/dbraw/zinc/81/66/96/622816696.db2.gz NTPZZYPGMBXWRL-CHWSQXEVSA-N 1 0 271.360 3.155 20 10 CGCDRO C[C@@H]1CC[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)[C@@H](C)C1 ZINC000226162632 622948792 /nfs/dbraw/zinc/94/87/92/622948792.db2.gz QGDOBFRBRVIAIA-NTZNESFSSA-N 1 0 277.364 3.035 20 10 CGCDRO CCOc1cccc(C[NH2+]C[C@H]2CCCCS2)c1O ZINC000157913879 622977372 /nfs/dbraw/zinc/97/73/72/622977372.db2.gz XFMIQGPFHAOXTR-CYBMUJFWSA-N 1 0 281.421 3.166 20 10 CGCDRO Cc1ccsc1C[NH2+]Cc1cc(F)ccc1O ZINC000226587927 622987048 /nfs/dbraw/zinc/98/70/48/622987048.db2.gz IGRROIWACGQALT-UHFFFAOYSA-N 1 0 251.326 3.191 20 10 CGCDRO Cc1cccc(OCC[NH2+]Cc2cccc(C)c2O)c1 ZINC000158068816 622994758 /nfs/dbraw/zinc/99/47/58/622994758.db2.gz VXRIGPFNJOAOEI-UHFFFAOYSA-N 1 0 271.360 3.178 20 10 CGCDRO COc1cccc(C[NH2+]C[C@@H]2CCC[C@H](C)C2)c1O ZINC000227439626 623019615 /nfs/dbraw/zinc/01/96/15/623019615.db2.gz AOOKKEIZTCUXLI-QWHCGFSZSA-N 1 0 263.381 3.317 20 10 CGCDRO CCOC1CC[NH+](Cc2cc(C)c(C)cc2O)CC1 ZINC000060445617 623042692 /nfs/dbraw/zinc/04/26/92/623042692.db2.gz VBEQVVRIPMOSIX-UHFFFAOYSA-N 1 0 263.381 3.010 20 10 CGCDRO CO[C@@]1(C)CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000230299717 623233482 /nfs/dbraw/zinc/23/34/82/623233482.db2.gz BKIVTVZYOOHBMB-AWEZNQCLSA-N 1 0 269.772 3.047 20 10 CGCDRO Cc1csc(CC[NH2+][C@H](C)c2ccc(C)cc2O)n1 ZINC000063132598 623301280 /nfs/dbraw/zinc/30/12/80/623301280.db2.gz HUKRPOSKPCSRRX-GFCCVEGCSA-N 1 0 276.405 3.359 20 10 CGCDRO CCN(CC)[C@H]1CC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000173460830 623325117 /nfs/dbraw/zinc/32/51/17/623325117.db2.gz YNIBBFIFCQYOBW-INIZCTEOSA-N 1 0 298.430 3.462 20 10 CGCDRO C[C@H]1CC[C@@H]([NH2+]Cc2cc(Br)ccc2O)C1 ZINC000232180857 623368538 /nfs/dbraw/zinc/36/85/38/623368538.db2.gz WYDGZCCAKRQPNC-JOYOIKCWSA-N 1 0 284.197 3.433 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@](C)(O)CCC(C)C)cc1C ZINC000174423186 623391911 /nfs/dbraw/zinc/39/19/11/623391911.db2.gz FCIMNFHOUSEBKL-QGZVFWFLSA-N 1 0 279.424 3.286 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@H]2CS[C@@H](C(C)C)C2)c1 ZINC000754122074 623813769 /nfs/dbraw/zinc/81/37/69/623813769.db2.gz MQSFGQQFRDJXCD-IUODEOHRSA-N 1 0 281.421 3.021 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCC(C)(C)CO)c1O ZINC000834869629 623831881 /nfs/dbraw/zinc/83/18/81/623831881.db2.gz BXOLXSKIOCFMST-NSHDSACASA-N 1 0 285.815 3.413 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCCC3(CCOCC3)C2)c1 ZINC000754742154 623941718 /nfs/dbraw/zinc/94/17/18/623941718.db2.gz QTIPCBTYEIKQRP-UHFFFAOYSA-N 1 0 289.419 3.402 20 10 CGCDRO Cc1ccoc1C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000155185207 624447469 /nfs/dbraw/zinc/44/74/69/624447469.db2.gz LVDGTCVWDZZRLN-UHFFFAOYSA-N 1 0 258.365 3.286 20 10 CGCDRO CC(C)[C@H](C)[N@H+](Cc1cc2c(cc1O)OCO2)C1CC1 ZINC000179496638 624659413 /nfs/dbraw/zinc/65/94/13/624659413.db2.gz HOSHUBJHAOJBMF-NSHDSACASA-N 1 0 277.364 3.130 20 10 CGCDRO CC[N@@H+](Cc1ccccc1O)C[C@H]1COc2ccccc2O1 ZINC000179558029 624666470 /nfs/dbraw/zinc/66/64/70/624666470.db2.gz WGIRYJXNIRONNU-HNNXBMFYSA-N 1 0 299.370 3.054 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccn(C(C)C)n2)c1 ZINC000182465663 625003705 /nfs/dbraw/zinc/00/37/05/625003705.db2.gz PSTVWOCQCQFQHN-GFCCVEGCSA-N 1 0 289.379 3.029 20 10 CGCDRO Cc1cccc(C[N@H+](C)CCOc2ccccc2)c1O ZINC000183372443 625067328 /nfs/dbraw/zinc/06/73/28/625067328.db2.gz WTCAAFUHWBZQAJ-UHFFFAOYSA-N 1 0 271.360 3.211 20 10 CGCDRO CCc1cnc(CC[NH2+][C@H](C)c2ccccc2O)s1 ZINC000183535724 625087906 /nfs/dbraw/zinc/08/79/06/625087906.db2.gz NLNFHPJLFGNGHW-LLVKDONJSA-N 1 0 276.405 3.304 20 10 CGCDRO CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H](C)c1ccccc1O ZINC000183614749 625097252 /nfs/dbraw/zinc/09/72/52/625097252.db2.gz GPYAEVMHVXXERJ-VBQJREDUSA-N 1 0 277.408 3.494 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C2C[C@@H](C)O[C@H](C)C2)c(O)c1 ZINC000186210824 625755285 /nfs/dbraw/zinc/75/52/85/625755285.db2.gz HOKSUTALOUACJE-UPJWGTAASA-N 1 0 263.381 3.307 20 10 CGCDRO CC[C@H]1CCC[C@H]([NH2+]Cc2cc(OC)ccc2O)C1 ZINC000085063186 625793784 /nfs/dbraw/zinc/79/37/84/625793784.db2.gz FIMKGEJIPNVVET-JSGCOSHPSA-N 1 0 263.381 3.459 20 10 CGCDRO Cc1cccc([C@H](O)C[NH2+]Cc2ccc3c(c2)CCCO3)c1 ZINC000921860939 625915067 /nfs/dbraw/zinc/91/50/67/625915067.db2.gz NVIJIIDLGWUTEC-GOSISDBHSA-N 1 0 297.398 3.143 20 10 CGCDRO CC1(C)C[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)CCO1 ZINC000921936080 625937404 /nfs/dbraw/zinc/93/74/04/625937404.db2.gz NGGVYVCGKQCKCJ-OAHLLOKOSA-N 1 0 275.392 3.059 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2ccc3c(c2)CCCO3)nc1C ZINC000922179480 625980128 /nfs/dbraw/zinc/98/01/28/625980128.db2.gz XAVWBPFALHSKLW-UHFFFAOYSA-N 1 0 282.387 3.313 20 10 CGCDRO CC[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)CCO1 ZINC000922192823 625982199 /nfs/dbraw/zinc/98/21/99/625982199.db2.gz XYUDCNWUBULAQG-JKSUJKDBSA-N 1 0 275.392 3.059 20 10 CGCDRO c1cc2c(cc1C[NH2+]C[C@@H]1C[C@H]3CCC[C@H]3O1)CCCO2 ZINC000922325134 625998095 /nfs/dbraw/zinc/99/80/95/625998095.db2.gz XZHNESCSNXLTDJ-SOLBZPMBSA-N 1 0 287.403 3.059 20 10 CGCDRO C[C@@H]([NH2+]Cc1c(Cl)n[nH]c1C1CC1)c1ccccc1O ZINC000922328600 625998328 /nfs/dbraw/zinc/99/83/28/625998328.db2.gz FGFNYXICXDOSMN-SECBINFHSA-N 1 0 291.782 3.497 20 10 CGCDRO CCc1[nH]nc(Cl)c1C[NH2+][C@@H](C)c1ccccc1O ZINC000922333399 625999502 /nfs/dbraw/zinc/99/95/02/625999502.db2.gz XERUBNUOEJOQFS-VIFPVBQESA-N 1 0 279.771 3.182 20 10 CGCDRO COC[C@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)C(C)C ZINC000086682801 626084237 /nfs/dbraw/zinc/08/42/37/626084237.db2.gz HHDJKVNTFJUJLJ-CJNGLKHVSA-N 1 0 264.413 3.074 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CC[C@H]2CCC3(CCC3)O2)cc1 ZINC000922969414 626112344 /nfs/dbraw/zinc/11/23/44/626112344.db2.gz VRNJPCBLXOXVPV-QGZVFWFLSA-N 1 0 288.435 3.334 20 10 CGCDRO COc1ccc(C[NH2+]C2([C@H]3CCCCO3)CC2)cc1C ZINC000923027258 626122201 /nfs/dbraw/zinc/12/22/01/626122201.db2.gz JDZWMTFSPYHLNQ-MRXNPFEDSA-N 1 0 275.392 3.195 20 10 CGCDRO Cc1ncc(C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)o1 ZINC000840795178 626252526 /nfs/dbraw/zinc/25/25/26/626252526.db2.gz VOPRLLSJNYDSEC-NSHDSACASA-N 1 0 260.337 3.156 20 10 CGCDRO Oc1ccc(F)cc1C[NH+]1CC(Cc2ccccc2)C1 ZINC000839128192 626321290 /nfs/dbraw/zinc/32/12/90/626321290.db2.gz NRTLLUMTVJYNJM-UHFFFAOYSA-N 1 0 271.335 3.206 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)cc1F ZINC000839190636 626327940 /nfs/dbraw/zinc/32/79/40/626327940.db2.gz JBJZZYRDEQTNIZ-VNHYZAJKSA-N 1 0 262.372 3.170 20 10 CGCDRO COC[C@@H]1CCC[N@@H+]1Cc1cc(C(C)C)c(C)cc1O ZINC000751950064 626412539 /nfs/dbraw/zinc/41/25/39/626412539.db2.gz OFBLSJRKKCZQFH-HNNXBMFYSA-N 1 0 277.408 3.435 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2C[C@@H](C)CC(C)(C)C2)c1 ZINC000753576286 626456269 /nfs/dbraw/zinc/45/62/69/626456269.db2.gz QOZQHLNQOBARRW-LBPRGKRZSA-N 1 0 263.381 3.269 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCOC2)c2c1c(F)ccc2O ZINC000756440447 626706455 /nfs/dbraw/zinc/70/64/55/626706455.db2.gz DUTKIFHKALTLOK-NTZNESFSSA-N 1 0 279.355 3.096 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1CCCCO1)c1cc2c(cc1O)CCCC2 ZINC000756456214 626707258 /nfs/dbraw/zinc/70/72/58/626707258.db2.gz MVIKUPDRIMCGMG-CJNGLKHVSA-N 1 0 289.419 3.491 20 10 CGCDRO CC(C)C[C@H](O)C[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000756497998 626709966 /nfs/dbraw/zinc/70/99/66/626709966.db2.gz SAMMNBDNXGBTDM-PWSUYJOCSA-N 1 0 271.788 3.103 20 10 CGCDRO CCCCOCC[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756503717 626710625 /nfs/dbraw/zinc/71/06/25/626710625.db2.gz LTYFQJPEYOFLPD-WCQYABFASA-N 1 0 281.371 3.486 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]CC2(O)CCCCC2)c2c1c(F)ccc2O ZINC000756513400 626711469 /nfs/dbraw/zinc/71/14/69/626711469.db2.gz IOSCKVHBHULCBS-DGCLKSJQSA-N 1 0 293.382 3.364 20 10 CGCDRO CO[C@H](C)CC[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756525558 626711788 /nfs/dbraw/zinc/71/17/88/626711788.db2.gz QJQBMGBBCNWMRF-FOGDFJRCSA-N 1 0 267.344 3.094 20 10 CGCDRO CC[C@H](C)N(C)CC[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756529286 626712501 /nfs/dbraw/zinc/71/25/01/626712501.db2.gz RPHOHFIYZZREQD-DYEKYZERSA-N 1 0 294.414 3.400 20 10 CGCDRO CCn1nc(C)c(C[NH2+][C@H](C)c2cc(F)ccc2O)c1C ZINC000756536123 626713310 /nfs/dbraw/zinc/71/33/10/626713310.db2.gz QCDVHULKPIHZKC-SNVBAGLBSA-N 1 0 291.370 3.215 20 10 CGCDRO CCc1cc(C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)[nH]n1 ZINC000756570402 626716528 /nfs/dbraw/zinc/71/65/28/626716528.db2.gz BKPRFPWZGGSKRX-RNCFNFMXSA-N 1 0 289.354 3.155 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)CC(C)(C)C)c(O)c1C ZINC000756591305 626718833 /nfs/dbraw/zinc/71/88/33/626718833.db2.gz QOVAUUMJFVLCOH-UONOGXRCSA-N 1 0 279.424 3.457 20 10 CGCDRO CC[C@H](C[C@H](C)CO)[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000756626324 626721046 /nfs/dbraw/zinc/72/10/46/626721046.db2.gz NTIUQFYCAUBKFD-MELADBBJSA-N 1 0 265.397 3.148 20 10 CGCDRO CCC[C@H](CCO)C[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756619969 626721422 /nfs/dbraw/zinc/72/14/22/626721422.db2.gz ZHYVDRMZKMZVSG-YRGRVCCFSA-N 1 0 295.398 3.468 20 10 CGCDRO C[C@@H]([NH2+]CCCC(=O)OC(C)(C)C)c1cc(F)ccc1O ZINC000756628368 626721952 /nfs/dbraw/zinc/72/19/52/626721952.db2.gz LUAUUZLZPSCLHO-LLVKDONJSA-N 1 0 297.370 3.304 20 10 CGCDRO C[C@@H]([NH2+]C1CCC(C)(O)CC1)c1cc(Cl)ccc1O ZINC000756633230 626722180 /nfs/dbraw/zinc/72/21/80/626722180.db2.gz GMTBEUJDXRLRTJ-CKQAKLJMSA-N 1 0 283.799 3.390 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1cc(F)cc(F)c1[O-] ZINC000756632840 626722204 /nfs/dbraw/zinc/72/22/04/626722204.db2.gz CWRWZRNGGQUYGT-DRZSPHRISA-N 1 0 298.377 3.194 20 10 CGCDRO C[C@@H]([NH2+]CCN1CC[C@H](C)C1)c1cc(Cl)ccc1O ZINC000756628373 626722215 /nfs/dbraw/zinc/72/22/15/626722215.db2.gz LUQZOAVVWDNJAF-NWDGAFQWSA-N 1 0 282.815 3.038 20 10 CGCDRO CC[C@H](CCO)C[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756646379 626724017 /nfs/dbraw/zinc/72/40/17/626724017.db2.gz MSHVZUFPITZICH-DMDPSCGWSA-N 1 0 281.371 3.078 20 10 CGCDRO C[C@H](C[C@@H]1CCOC1)[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756645716 626724062 /nfs/dbraw/zinc/72/40/62/626724062.db2.gz JJJRHHKNRZPCNL-KZVDOYCCSA-N 1 0 293.382 3.484 20 10 CGCDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cn2)c2c1c(F)ccc2O ZINC000756657219 626725393 /nfs/dbraw/zinc/72/53/93/626725393.db2.gz BONGYBTXDVJFTP-TVQRCGJNSA-N 1 0 290.313 3.404 20 10 CGCDRO C[C@@H]([NH2+][C@@H](CO)c1cccc(F)c1)c1cc(F)ccc1O ZINC000756713110 626727217 /nfs/dbraw/zinc/72/72/17/626727217.db2.gz UIMZZOWDJQPCHN-BMIGLBTASA-N 1 0 293.313 3.055 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCNc2cccc(C)n2)c1 ZINC000756744876 626729444 /nfs/dbraw/zinc/72/94/44/626729444.db2.gz DCSOWMHPHAMYSM-AWEZNQCLSA-N 1 0 285.391 3.167 20 10 CGCDRO Cc1cc(C[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)ncn1 ZINC000756776424 626731104 /nfs/dbraw/zinc/73/11/04/626731104.db2.gz PGGVCPRUENNVFB-CYBMUJFWSA-N 1 0 297.402 3.220 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCc2ccc(CO)cc2)c(O)c1C ZINC000756792095 626733104 /nfs/dbraw/zinc/73/31/04/626733104.db2.gz XJOPZKOOQCUBKC-HNNXBMFYSA-N 1 0 299.414 3.395 20 10 CGCDRO CO[C@H](C[NH2+][C@H](C)c1cc(Cl)ccc1O)C(F)(F)F ZINC000756836071 626735985 /nfs/dbraw/zinc/73/59/85/626735985.db2.gz SCVZXSCHKFEWAR-RDDDGLTNSA-N 1 0 297.704 3.274 20 10 CGCDRO CO[C@@](C)([C@H](C)[NH2+]Cc1ccc(N(C)C)cc1)C1CC1 ZINC000839640641 626774360 /nfs/dbraw/zinc/77/43/60/626774360.db2.gz RJZXBWBNBKVBOQ-GUYCJALGSA-N 1 0 276.424 3.046 20 10 CGCDRO COc1cccc(O)c1C[NH2+]CCC1CCC(OC)CC1 ZINC000757985985 626819991 /nfs/dbraw/zinc/81/99/91/626819991.db2.gz PJPLQDLKGJRCNV-UHFFFAOYSA-N 1 0 293.407 3.086 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CC(C)(C)[C@H]2CCCCO2)cc1 ZINC000758496128 626846315 /nfs/dbraw/zinc/84/63/15/626846315.db2.gz ARAMDEWKZFLIJQ-QGZVFWFLSA-N 1 0 290.451 3.438 20 10 CGCDRO Cc1cc(O)c(C[NH2+]Cc2nn(C)c3ccccc23)cc1C ZINC000759192313 626879635 /nfs/dbraw/zinc/87/96/35/626879635.db2.gz ZOZKHEOFYHWUBA-UHFFFAOYSA-N 1 0 295.386 3.186 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C2CC=CC2)cc1F ZINC000759851023 626926259 /nfs/dbraw/zinc/92/62/59/626926259.db2.gz RNMRBFZYPVYYRB-UHFFFAOYSA-N 1 0 262.372 3.480 20 10 CGCDRO CCOCc1cc(C[NH2+]C2CC=CC2)ccc1OC ZINC000759848804 626926500 /nfs/dbraw/zinc/92/65/00/626926500.db2.gz ITHGUGZMUSINLL-UHFFFAOYSA-N 1 0 261.365 3.040 20 10 CGCDRO CO[C@@H]1[C@@H](C)[C@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)C1(C)C ZINC000761197743 627024316 /nfs/dbraw/zinc/02/43/16/627024316.db2.gz CQGHDCNXFHYBMN-KNXALSJPSA-N 1 0 294.414 3.041 20 10 CGCDRO COc1cc(Cl)cc(C[N@H+]2CC=C(C)CC2)c1O ZINC000761203833 627024541 /nfs/dbraw/zinc/02/45/41/627024541.db2.gz YTHCLGLKQMZXSQ-UHFFFAOYSA-N 1 0 267.756 3.206 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2[C@H](C)[C@@H](OC)C2(C)C)cc1C ZINC000761199201 627024611 /nfs/dbraw/zinc/02/46/11/627024611.db2.gz XXVBECLNLFFNGH-APHBMKBZSA-N 1 0 277.408 3.153 20 10 CGCDRO C[N@H+](Cc1cc(-c2ccccc2)ccc1O)CC1(O)CCC1 ZINC000761220101 627026380 /nfs/dbraw/zinc/02/63/80/627026380.db2.gz UKVXLXVHXMEUSU-UHFFFAOYSA-N 1 0 297.398 3.406 20 10 CGCDRO CN1CCCC(C)(C)[C@H]1C[NH2+]Cc1c(O)cccc1Cl ZINC000790485461 627270249 /nfs/dbraw/zinc/27/02/49/627270249.db2.gz LVBQZAZFLUGDPJ-OAHLLOKOSA-N 1 0 296.842 3.256 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCOCC2CCC2)c(O)c1 ZINC000765812773 627273111 /nfs/dbraw/zinc/27/31/11/627273111.db2.gz ZDWJZRYMYFPALX-ZDUSSCGKSA-N 1 0 263.381 3.168 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCN2CC[C@H](C)C2)cc1 ZINC000766379988 627325483 /nfs/dbraw/zinc/32/54/83/627325483.db2.gz BCKZWDSLTQUSTO-HOTGVXAUSA-N 1 0 289.467 3.135 20 10 CGCDRO C[C@H](Cc1ccncc1)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000766491525 627336984 /nfs/dbraw/zinc/33/69/84/627336984.db2.gz WTYXPIRHNBZNHM-CABCVRRESA-N 1 0 283.419 3.429 20 10 CGCDRO COc1cccc(O)c1C[N@H+](C)Cc1cccs1 ZINC000768160837 627463558 /nfs/dbraw/zinc/46/35/58/627463558.db2.gz STIRECMCNYYDOU-UHFFFAOYSA-N 1 0 263.362 3.094 20 10 CGCDRO C[C@@H]1c2cccn2CCN1Cc1c(O)cccc1Cl ZINC000768161622 627464145 /nfs/dbraw/zinc/46/41/45/627464145.db2.gz ITFJULXGJTVOIG-LLVKDONJSA-N 1 0 276.767 3.424 20 10 CGCDRO COc1cccc(O)c1C[N@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000768262374 627471952 /nfs/dbraw/zinc/47/19/52/627471952.db2.gz JJYDEGSLHNRGSB-CHWSQXEVSA-N 1 0 263.381 3.411 20 10 CGCDRO CC(C)[N@@H+](Cc1ccc(N2CCOCC2)cc1)CC1CC1 ZINC000768675768 627492363 /nfs/dbraw/zinc/49/23/63/627492363.db2.gz UZYXGPFQZNIOLL-UHFFFAOYSA-N 1 0 288.435 3.144 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCOCC2(C)C)cc1 ZINC000769007977 627516182 /nfs/dbraw/zinc/51/61/82/627516182.db2.gz XKKFIDMCXVYDLE-UHFFFAOYSA-N 1 0 276.424 3.144 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000769104624 627522637 /nfs/dbraw/zinc/52/26/37/627522637.db2.gz JNWUCJNGTRZUIZ-INIZCTEOSA-N 1 0 299.370 3.444 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CC[C@@H](c3ccco3)C2)c(O)c1 ZINC000769390142 627547725 /nfs/dbraw/zinc/54/77/25/627547725.db2.gz QQOWEZGYXQBDLN-CQSZACIVSA-N 1 0 287.359 3.373 20 10 CGCDRO CN(C)c1ccc(C[NH+]2C[C@@H]3CCCC[C@H]3C2)cc1 ZINC000769426785 627550874 /nfs/dbraw/zinc/55/08/74/627550874.db2.gz WXKKSGWRTXEOTR-HOTGVXAUSA-N 1 0 258.409 3.375 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CCS[C@@H](C)[C@@H]2C)c(O)c1 ZINC000769445574 627552724 /nfs/dbraw/zinc/55/27/24/627552724.db2.gz GUFZBRUUUHZWOD-RYUDHWBXSA-N 1 0 281.421 3.117 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](C)C2)c(O)c1 ZINC000769451575 627554464 /nfs/dbraw/zinc/55/44/64/627554464.db2.gz NFEFUAPHRYPKCV-OLZOCXBDSA-N 1 0 263.381 3.269 20 10 CGCDRO CCOc1ccc(C[N@H+](C)[C@H](C)CCSC)c(O)c1 ZINC000769462716 627555630 /nfs/dbraw/zinc/55/56/30/627555630.db2.gz HYPJNLMZTISLFU-GFCCVEGCSA-N 1 0 283.437 3.364 20 10 CGCDRO CC[C@H](C)C[N@H+](CC)Cc1c(O)cccc1OC ZINC000769538137 627563787 /nfs/dbraw/zinc/56/37/87/627563787.db2.gz SIVWKGGWPLEHTN-LBPRGKRZSA-N 1 0 251.370 3.269 20 10 CGCDRO Oc1cccc(Cl)c1C[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000770286599 627611959 /nfs/dbraw/zinc/61/19/59/627611959.db2.gz RYLUMLXHVXBCBB-BXUZGUMPSA-N 1 0 281.783 3.047 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCCOC(C)(C)C2)cc1 ZINC000773753666 627911427 /nfs/dbraw/zinc/91/14/27/627911427.db2.gz MOVAECFJWKYAAS-UHFFFAOYSA-N 1 0 276.424 3.144 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@H](OCC(C)C)C2)cc1 ZINC000773766738 627914125 /nfs/dbraw/zinc/91/41/25/627914125.db2.gz VBQHIWDZWPHEFH-SFHVURJKSA-N 1 0 290.451 3.390 20 10 CGCDRO CCN(C)c1ccc(C[N@H+](C)Cc2cccnc2)cc1 ZINC000773801630 627916678 /nfs/dbraw/zinc/91/66/78/627916678.db2.gz NKWZQHOZSRMOAS-UHFFFAOYSA-N 1 0 269.392 3.170 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@H](C(F)F)C2)cc1 ZINC000773827147 627916812 /nfs/dbraw/zinc/91/68/12/627916812.db2.gz VXBQGDHWAZFAHX-CYBMUJFWSA-N 1 0 268.351 3.230 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@H](C)[C@H](F)C2)cc1 ZINC000773831896 627917823 /nfs/dbraw/zinc/91/78/23/627917823.db2.gz JYWKYTRGKRKJME-XJKSGUPXSA-N 1 0 264.388 3.323 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc(N(C)CC)cc1)[C@H]1CCCO1 ZINC000773838239 627919140 /nfs/dbraw/zinc/91/91/40/627919140.db2.gz LPBOBEUBGOMQJO-IAGOWNOFSA-N 1 0 276.424 3.190 20 10 CGCDRO CCN(C)c1ccc(C[NH+]2CCC(CCCO)CC2)cc1 ZINC000773841561 627920161 /nfs/dbraw/zinc/92/01/61/627920161.db2.gz RUGPHCDUSGRMDB-UHFFFAOYSA-N 1 0 290.451 3.127 20 10 CGCDRO CCC[C@@]1(CO)CCC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000775175613 628069107 /nfs/dbraw/zinc/06/91/07/628069107.db2.gz JSJKGCVHJSPJGZ-KRWDZBQOSA-N 1 0 294.414 3.019 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C[C@H]2C(C)=CCC[C@H]2C)c1 ZINC000775306229 628080565 /nfs/dbraw/zinc/08/05/65/628080565.db2.gz UADLHPXOYAHUSU-CJNGLKHVSA-N 1 0 275.392 3.483 20 10 CGCDRO COc1ccc(C[NH2+]CC2(OC)CCCCC2)cc1C ZINC000775320372 628082199 /nfs/dbraw/zinc/08/21/99/628082199.db2.gz FAPILVQCJXOHAN-UHFFFAOYSA-N 1 0 277.408 3.443 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCN(C2CC2)C1)c1cc(Cl)ccc1O ZINC000775501845 628101713 /nfs/dbraw/zinc/10/17/13/628101713.db2.gz LVAFRTFHMQMCCB-WFASDCNBSA-N 1 0 294.826 3.323 20 10 CGCDRO CC[C@@H]([NH2+][C@H](C)Cc1ccncc1)c1ccccc1O ZINC000775511354 628102377 /nfs/dbraw/zinc/10/23/77/628102377.db2.gz DWLHMMYQGASQCW-CZUORRHYSA-N 1 0 270.376 3.459 20 10 CGCDRO CC[C@H]([NH2+][C@H](CO)c1ccccc1C)c1ccccc1O ZINC000775514073 628102752 /nfs/dbraw/zinc/10/27/52/628102752.db2.gz VFQGORLVDGSRLJ-DLBZAZTESA-N 1 0 285.387 3.475 20 10 CGCDRO CCc1cc(C[NH2+][C@@H](CC)c2ccccc2O)on1 ZINC000775509868 628102965 /nfs/dbraw/zinc/10/29/65/628102965.db2.gz RSWONFUNICBQJH-AWEZNQCLSA-N 1 0 260.337 3.184 20 10 CGCDRO CC[C@@H]([NH2+][C@H]1CC[C@H](O)CC1)c1cc(Cl)ccc1O ZINC000775522949 628103280 /nfs/dbraw/zinc/10/32/80/628103280.db2.gz CHSQZCLEEHUUBO-YRGRVCCFSA-N 1 0 283.799 3.390 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H]1CCC[C@@H]1OC)c1ccccc1O ZINC000775531986 628104342 /nfs/dbraw/zinc/10/43/42/628104342.db2.gz QDHJWNNNZHYVAI-NOLJZWGESA-N 1 0 263.381 3.248 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H]2C(C)(C)C)c1 ZINC000775679290 628124805 /nfs/dbraw/zinc/12/48/05/628124805.db2.gz VFXAIIXMGTVHFC-OAHLLOKOSA-N 1 0 263.381 3.411 20 10 CGCDRO C[C@H](C[NH2+]Cc1ccccc1O)Cc1ccccc1 ZINC000775952959 628153391 /nfs/dbraw/zinc/15/33/91/628153391.db2.gz ARSDGVUNCWVXGU-AWEZNQCLSA-N 1 0 255.361 3.361 20 10 CGCDRO C[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])C1(C)CC1 ZINC000776071768 628162114 /nfs/dbraw/zinc/16/21/14/628162114.db2.gz UZKYXKWISVDBDG-MRVPVSSYSA-N 1 0 257.736 3.463 20 10 CGCDRO COc1ccc(N(C)CCC[NH+]2CCCCC2)c(OC)c1 ZINC000776103668 628167482 /nfs/dbraw/zinc/16/74/82/628167482.db2.gz ZHZOVDIPQXNMKF-UHFFFAOYSA-N 1 0 292.423 3.016 20 10 CGCDRO CC(C)c1nnc(C[NH2+]Cc2cccc(Cl)c2[O-])s1 ZINC000776247523 628183869 /nfs/dbraw/zinc/18/38/69/628183869.db2.gz FFCDQFONKGVGCM-UHFFFAOYSA-N 1 0 297.811 3.310 20 10 CGCDRO COc1ccc(O)c(C[NH2+]CC(C)(C)[C@H]2CCCCO2)c1 ZINC000776249946 628184770 /nfs/dbraw/zinc/18/47/70/628184770.db2.gz ZUZPVYODKJWOBK-MRXNPFEDSA-N 1 0 293.407 3.086 20 10 CGCDRO CO[C@@H]1CCC[C@@H]1C[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000776255701 628185302 /nfs/dbraw/zinc/18/53/02/628185302.db2.gz GURBYNMHUBXNBZ-BXUZGUMPSA-N 1 0 283.799 3.259 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@H](c2cccnc2)C2CC2)c1 ZINC000776253702 628185314 /nfs/dbraw/zinc/18/53/14/628185314.db2.gz ONJNAQKNGPJATF-KRWDZBQOSA-N 1 0 284.359 3.037 20 10 CGCDRO CC(C)C[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)CCO1 ZINC000776948034 628240535 /nfs/dbraw/zinc/24/05/35/628240535.db2.gz BQPMBAMEVOMDJF-SJORKVTESA-N 1 0 289.419 3.305 20 10 CGCDRO Cc1cccc(C[NH2+][C@@]2(CO)C[C@@H](C)CC(C)(C)C2)c1O ZINC000777482883 628275388 /nfs/dbraw/zinc/27/53/88/628275388.db2.gz CWNRWJVDQKREJG-UGSOOPFHSA-N 1 0 291.435 3.368 20 10 CGCDRO COc1ccc(C2([NH2+]Cc3cc(F)ccc3O)CC2)cc1 ZINC000779074963 628387385 /nfs/dbraw/zinc/38/73/85/628387385.db2.gz TZDPYNKEZFVBRS-UHFFFAOYSA-N 1 0 287.334 3.319 20 10 CGCDRO CN(C)CC[N@H+](Cc1ccc(N(C)C)cc1)C1CCCC1 ZINC000779175079 628392834 /nfs/dbraw/zinc/39/28/34/628392834.db2.gz UBFYDARUJZAEPJ-UHFFFAOYSA-N 1 0 289.467 3.059 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CCc2cc(F)ccc2C1 ZINC000779598553 628417994 /nfs/dbraw/zinc/41/79/94/628417994.db2.gz LYEBCWKTWZZFGK-UHFFFAOYSA-N 1 0 287.334 3.098 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]CC2(N(C)C)CCC2)c2c1c(F)ccc2O ZINC000783315166 628703038 /nfs/dbraw/zinc/70/30/38/628703038.db2.gz VNZFCGFTRYINAK-DGCLKSJQSA-N 1 0 292.398 3.154 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1COc2ccccc2C1)c1ccccc1O ZINC000783505453 628719077 /nfs/dbraw/zinc/71/90/77/628719077.db2.gz WXRPUBHZOWOHHC-UONOGXRCSA-N 1 0 283.371 3.294 20 10 CGCDRO CCn1nc(C)c(C[NH2+][C@@H](C)c2ccccc2O)c1C ZINC000783506640 628719518 /nfs/dbraw/zinc/71/95/18/628719518.db2.gz SGCCRLSFBIROCR-NSHDSACASA-N 1 0 273.380 3.076 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12)c1ccccc1O ZINC000783523285 628721192 /nfs/dbraw/zinc/72/11/92/628721192.db2.gz BFHKXBYYMDHGHH-BTQDYEIMSA-N 1 0 295.473 3.422 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCc3ccccc3OC2)cc1 ZINC000786782602 628963416 /nfs/dbraw/zinc/96/34/16/628963416.db2.gz HUBQOAUDPUWYMU-KRWDZBQOSA-N 1 0 296.414 3.236 20 10 CGCDRO CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]Cc1ccccc1O ZINC000786819911 628965274 /nfs/dbraw/zinc/96/52/74/628965274.db2.gz CKWJNYIJBYOUAQ-CXAGYDPISA-N 1 0 271.360 3.258 20 10 CGCDRO CO[C@H](CC[NH2+]Cc1c(O)cccc1Cl)C(F)(F)F ZINC000786824183 628966139 /nfs/dbraw/zinc/96/61/39/628966139.db2.gz SJWRGJMQVNEIDV-LLVKDONJSA-N 1 0 297.704 3.103 20 10 CGCDRO CC1(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)CC1 ZINC000787049055 628981068 /nfs/dbraw/zinc/98/10/68/628981068.db2.gz KWTXGWACPLGDAG-OAHLLOKOSA-N 1 0 275.392 3.173 20 10 CGCDRO CCN1CCC[C@@H]1C[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000788501691 629060056 /nfs/dbraw/zinc/06/00/56/629060056.db2.gz GTTNFGPWGBMVAK-LSDHHAIUSA-N 1 0 276.424 3.144 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCNc2cccc(C)n2)c(O)c1 ZINC000788669808 629071484 /nfs/dbraw/zinc/07/14/84/629071484.db2.gz PIALOVLEFWEXHV-OAHLLOKOSA-N 1 0 299.418 3.475 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCOCC2CCC2)c(O)c1 ZINC000788751681 629078914 /nfs/dbraw/zinc/07/89/14/629078914.db2.gz SPGWXARXORBXQL-CQSZACIVSA-N 1 0 277.408 3.476 20 10 CGCDRO C[C@H](O)CCC[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000789348168 629126472 /nfs/dbraw/zinc/12/64/72/629126472.db2.gz LSYGYFKGKSXQDV-AWEZNQCLSA-N 1 0 289.375 3.148 20 10 CGCDRO CCc1cccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)c1O ZINC000862473459 629383889 /nfs/dbraw/zinc/38/38/89/629383889.db2.gz RLKFWMBHYIJVJR-CABCVRRESA-N 1 0 277.433 3.425 20 10 CGCDRO CC(C)n1nccc1C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000793085335 629410101 /nfs/dbraw/zinc/41/01/01/629410101.db2.gz OKKRPXXLHUZOPM-CQSZACIVSA-N 1 0 286.423 3.381 20 10 CGCDRO COC1(C[NH2+]Cc2ccccc2O)CCC(C)CC1 ZINC000793291365 629440340 /nfs/dbraw/zinc/44/03/40/629440340.db2.gz QACRJKOWBJILPF-UHFFFAOYSA-N 1 0 263.381 3.077 20 10 CGCDRO CC[N@@H+](Cc1ccc(N2CCOCC2)cc1)CC1CCC1 ZINC000793353740 629446526 /nfs/dbraw/zinc/44/65/26/629446526.db2.gz UUJWBTYZFUMKOF-UHFFFAOYSA-N 1 0 288.435 3.145 20 10 CGCDRO OCC[C@H]1CCCCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000793609657 629490451 /nfs/dbraw/zinc/49/04/51/629490451.db2.gz QTSWBMBZKISBHK-CQSZACIVSA-N 1 0 283.799 3.173 20 10 CGCDRO COc1cc(C[N@@H+]2CCCC3(CC3)CC2)c(O)cc1C ZINC000863331817 629536684 /nfs/dbraw/zinc/53/66/84/629536684.db2.gz WHTOSBZAUWKVGN-UHFFFAOYSA-N 1 0 275.392 3.475 20 10 CGCDRO CC[C@@H]([NH2+]CCC[C@@H](O)CC)c1ccc(C)cc1O ZINC000794813036 629579981 /nfs/dbraw/zinc/57/99/81/629579981.db2.gz AXHQRXOUZNUYNF-DZGCQCFKSA-N 1 0 265.397 3.292 20 10 CGCDRO CC[C@@H]([NH2+]CC(C)(C)OC)c1ccc(C)cc1O ZINC000794810117 629579989 /nfs/dbraw/zinc/57/99/89/629579989.db2.gz JGTSMXVQOCGJHJ-CYBMUJFWSA-N 1 0 251.370 3.166 20 10 CGCDRO CC[C@@H]([NH2+]CCN1CC=CCC1)c1cc(Cl)ccc1O ZINC000794831992 629584273 /nfs/dbraw/zinc/58/42/73/629584273.db2.gz FWRXMSFLEXNLJA-OAHLLOKOSA-N 1 0 294.826 3.348 20 10 CGCDRO CN(CCCOCCc1ccccc1)c1ccc(N)cc1 ZINC000863556694 629604917 /nfs/dbraw/zinc/60/49/17/629604917.db2.gz COOHMCVFTRSFQX-UHFFFAOYSA-N 1 0 284.403 3.354 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CCC(C)=C(C)C2)c1O ZINC000796016873 629735793 /nfs/dbraw/zinc/73/57/93/629735793.db2.gz CJSIYGWWYPDLBC-UHFFFAOYSA-N 1 0 261.365 3.333 20 10 CGCDRO CC(C)CC[C@H](O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000796457524 629784193 /nfs/dbraw/zinc/78/41/93/629784193.db2.gz XAKPGUMGLGQPSI-YOEHRIQHSA-N 1 0 278.440 3.200 20 10 CGCDRO CC(C)[C@H]1CC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000796700011 629816688 /nfs/dbraw/zinc/81/66/88/629816688.db2.gz CCSOZKPFNPMZLQ-QZTJIDSGSA-N 1 0 288.435 3.047 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(F)cc1[O-] ZINC000796799579 629836387 /nfs/dbraw/zinc/83/63/87/629836387.db2.gz RHXRWRQONUUZFS-YCPHGPKFSA-N 1 0 294.414 3.445 20 10 CGCDRO CCCN1CCC[C@H]1C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000797114787 629890790 /nfs/dbraw/zinc/89/07/90/629890790.db2.gz QUQYIZGDMMSJHU-OCCSQVGLSA-N 1 0 280.387 3.056 20 10 CGCDRO Oc1ccccc1C[NH2+]C[C@H]1CCCN1C1CCCCC1 ZINC000797890465 629997609 /nfs/dbraw/zinc/99/76/09/629997609.db2.gz MOFSDONBPXCLMT-QGZVFWFLSA-N 1 0 288.435 3.279 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CC[C@@H](c3ccccn3)C2)c1O ZINC000799159694 630150872 /nfs/dbraw/zinc/15/08/72/630150872.db2.gz KZJVDMBDWXVBNJ-CQSZACIVSA-N 1 0 298.386 3.094 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+]CC(C)(C)F)cc1 ZINC000865653086 630255259 /nfs/dbraw/zinc/25/52/59/630255259.db2.gz NZTGMJKGKUUFDO-AATRIKPKSA-N 1 0 250.361 3.104 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]CCc1cccc2[nH]ccc21 ZINC000800537385 630291919 /nfs/dbraw/zinc/29/19/19/630291919.db2.gz WOPNAHNVGJYXQU-UHFFFAOYSA-N 1 0 284.334 3.345 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@]2(C)CCOC2)c1O ZINC000808696797 630295171 /nfs/dbraw/zinc/29/51/71/630295171.db2.gz WNBGSURWXFLDNY-NHYWBVRUSA-N 1 0 283.799 3.431 20 10 CGCDRO CCCC[N@@H+](Cc1ccccc1O)C[C@H]1CCOC1 ZINC000801596006 630346595 /nfs/dbraw/zinc/34/65/95/630346595.db2.gz YUEFWKIAUZLYBV-CQSZACIVSA-N 1 0 263.381 3.031 20 10 CGCDRO CCCC[N@H+](CCOC(C)C)Cc1ccccc1O ZINC000801596606 630346881 /nfs/dbraw/zinc/34/68/81/630346881.db2.gz HJFDGNSIPNDDLY-UHFFFAOYSA-N 1 0 265.397 3.419 20 10 CGCDRO COc1ccc(O)c(C[NH2+]CCC2C[C@@H](C)O[C@H](C)C2)c1 ZINC000802659848 630403725 /nfs/dbraw/zinc/40/37/25/630403725.db2.gz OBOVAZZGPHXVKN-CHWSQXEVSA-N 1 0 293.407 3.084 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)c1 ZINC000840095178 630591114 /nfs/dbraw/zinc/59/11/14/630591114.db2.gz OHUUHBDNBRFFGZ-ZWKOTPCHSA-N 1 0 287.403 3.152 20 10 CGCDRO CCOc1ccc(C[NH2+][C@H]2c3ccccc3O[C@@H]2C)c(O)c1 ZINC000808445520 630645910 /nfs/dbraw/zinc/64/59/10/630645910.db2.gz WNFKOVYGHVBNPU-KZULUSFZSA-N 1 0 299.370 3.403 20 10 CGCDRO COCC[C@H](C)[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808689019 630664493 /nfs/dbraw/zinc/66/44/93/630664493.db2.gz XDGLRRMOQQFRLK-QWRGUYRKSA-N 1 0 271.788 3.430 20 10 CGCDRO CO[C@@H](C)CC[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808690569 630664517 /nfs/dbraw/zinc/66/45/17/630664517.db2.gz MUZKRKROPUVNHR-QWRGUYRKSA-N 1 0 271.788 3.430 20 10 CGCDRO COC[C@@H]([NH2+][C@@H](C)c1cc(Cl)cc(C)c1O)C1CC1 ZINC000808707884 630667606 /nfs/dbraw/zinc/66/76/06/630667606.db2.gz BPTYAYUGVGQJAN-IINYFYTJSA-N 1 0 283.799 3.430 20 10 CGCDRO Cc1cc(C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)ncn1 ZINC000808707877 630667781 /nfs/dbraw/zinc/66/77/81/630667781.db2.gz BIPOEJCLTFZYMX-NSHDSACASA-N 1 0 291.782 3.303 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCC2(C)OCCO2)c1O ZINC000808713664 630669826 /nfs/dbraw/zinc/66/98/26/630669826.db2.gz JJIDZJZZEJXGHR-NSHDSACASA-N 1 0 299.798 3.158 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](O)c2ccccc2)c(O)c1 ZINC000808720994 630671069 /nfs/dbraw/zinc/67/10/69/630671069.db2.gz FYIMWINAFPOUKQ-SUNYJGFJSA-N 1 0 285.387 3.473 20 10 CGCDRO CC[N@H+](Cc1cc(OC)c(OC)cc1O)C1CC(C)(C)C1 ZINC000840184315 630796115 /nfs/dbraw/zinc/79/61/15/630796115.db2.gz NNFIVQMSOJMGCY-UHFFFAOYSA-N 1 0 293.407 3.420 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+](C)[C@H](CO)CC(C)C)c1O ZINC000809767986 630803503 /nfs/dbraw/zinc/80/35/03/630803503.db2.gz ZNBMWMNXKKBTQL-AWEZNQCLSA-N 1 0 285.815 3.193 20 10 CGCDRO CCOC1CC([N@H+](C)Cc2cc(Cl)ccc2O)C1 ZINC000809774677 630803758 /nfs/dbraw/zinc/80/37/58/630803758.db2.gz WQBALBCDBXNAOS-UHFFFAOYSA-N 1 0 269.772 3.045 20 10 CGCDRO CC[C@]1(C[NH2+]Cc2ccccc2O)OCCc2ccccc21 ZINC000810159639 630848879 /nfs/dbraw/zinc/84/88/79/630848879.db2.gz CQWYTUIOFFEYOO-LJQANCHMSA-N 1 0 297.398 3.360 20 10 CGCDRO CC(C)N(C)C[C@H](C)[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000810244123 630858127 /nfs/dbraw/zinc/85/81/27/630858127.db2.gz AFQIQOPFFVJMHE-DYEKYZERSA-N 1 0 294.414 3.398 20 10 CGCDRO Oc1ccc(F)cc1C[N@@H+]1CC2(CCC2)[C@H]1C1CC1 ZINC000811513547 631081284 /nfs/dbraw/zinc/08/12/84/631081284.db2.gz KAQYJFDNWGCZJR-OAHLLOKOSA-N 1 0 261.340 3.296 20 10 CGCDRO Cc1cc(NCc2c(O)ccc3c2CCCC3)cc[nH+]1 ZINC000811808846 631121664 /nfs/dbraw/zinc/12/16/64/631121664.db2.gz QWUGHAQPSYCHEX-UHFFFAOYSA-N 1 0 268.360 3.008 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc3cnn(C)c3c2)c1 ZINC000812736508 631299057 /nfs/dbraw/zinc/29/90/57/631299057.db2.gz CBNZWOXFEUSGLS-CYBMUJFWSA-N 1 0 295.386 3.438 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](CC)[C@@H]2CCOC2)cc1 ZINC000812781081 631306802 /nfs/dbraw/zinc/30/68/02/631306802.db2.gz ZONIQSLHDMEBLY-QGZVFWFLSA-N 1 0 276.424 3.144 20 10 CGCDRO CC[N@H+](Cc1ccc(N2CCOCC2)cc1)CC(C)(C)C ZINC000812795125 631313551 /nfs/dbraw/zinc/31/35/51/631313551.db2.gz MKSOJZVXVVVJHE-UHFFFAOYSA-N 1 0 290.451 3.391 20 10 CGCDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876527784 634850675 /nfs/dbraw/zinc/85/06/75/634850675.db2.gz LWILJXKPFXYRHJ-HNNXBMFYSA-N 1 0 288.435 3.022 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc3c[nH]nc3c2)c1 ZINC000813331811 631409791 /nfs/dbraw/zinc/40/97/91/631409791.db2.gz VNMXEVFHLYDCBF-LLVKDONJSA-N 1 0 297.358 3.128 20 10 CGCDRO Cc1cc(C[N@H+](C)C[C@H]2CCCCO2)ccc1N(C)C ZINC000815020568 631705444 /nfs/dbraw/zinc/70/54/44/631705444.db2.gz BJXVPRMWKCILOP-MRXNPFEDSA-N 1 0 276.424 3.062 20 10 CGCDRO CC[C@@H]1C[N@H+](Cc2ccc(N(C)C)c(C)c2)C[C@@H](C)O1 ZINC000815046789 631706137 /nfs/dbraw/zinc/70/61/37/631706137.db2.gz FXOKVVYMPJDCHT-GDBMZVCRSA-N 1 0 276.424 3.060 20 10 CGCDRO CC[C@H]1C[N@H+](Cc2ccc(N(C)C)c(C)c2)C[C@@H](C)O1 ZINC000815046792 631706466 /nfs/dbraw/zinc/70/64/66/631706466.db2.gz FXOKVVYMPJDCHT-ZBFHGGJFSA-N 1 0 276.424 3.060 20 10 CGCDRO CCO[C@H]1CCC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000815051472 631707832 /nfs/dbraw/zinc/70/78/32/631707832.db2.gz SPMPWKNEQPKREG-INIZCTEOSA-N 1 0 276.424 3.062 20 10 CGCDRO Cc1cc(C[N@@H+]2CCOC(C)(C)[C@H]2C)ccc1N(C)C ZINC000815062305 631710559 /nfs/dbraw/zinc/71/05/59/631710559.db2.gz IGQJMMMAUQCLQT-CQSZACIVSA-N 1 0 276.424 3.060 20 10 CGCDRO Cc1cc(C[NH+]2CCC(c3c[nH]cn3)CC2)ccc1N(C)C ZINC000815072001 631711783 /nfs/dbraw/zinc/71/17/83/631711783.db2.gz AYLNGZDNJGRQES-UHFFFAOYSA-N 1 0 298.434 3.164 20 10 CGCDRO Cc1cc(C[N@@H+](C)[C@]2(CO)CC[C@H](C)C2)ccc1N(C)C ZINC000815095672 631716321 /nfs/dbraw/zinc/71/63/21/631716321.db2.gz FVUGYZIPDBDMKB-KBXCAEBGSA-N 1 0 290.451 3.044 20 10 CGCDRO Cc1cc(C[N@@H+]2CCO[C@@H](C(C)(C)C)C2)ccc1N(C)C ZINC000815101795 631717871 /nfs/dbraw/zinc/71/78/71/631717871.db2.gz CFDSRTWHCNUOTK-QGZVFWFLSA-N 1 0 290.451 3.308 20 10 CGCDRO CC[C@H]1C[N@H+](Cc2ccc(N(C)CC)cc2)CCCO1 ZINC000815107375 631719181 /nfs/dbraw/zinc/71/91/81/631719181.db2.gz KTMDHOAOTABSOY-KRWDZBQOSA-N 1 0 276.424 3.144 20 10 CGCDRO COc1ccc(N2CCC([NH2+]C3(C(C)C)CC3)CC2)cc1 ZINC000815151878 631731664 /nfs/dbraw/zinc/73/16/64/631731664.db2.gz VKLWVFGSGRASSV-UHFFFAOYSA-N 1 0 288.435 3.442 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2cccnc2N(C)C)c(O)c1 ZINC000815558655 631795801 /nfs/dbraw/zinc/79/58/01/631795801.db2.gz KHRLAQSFHAQCDE-CQSZACIVSA-N 1 0 299.418 3.321 20 10 CGCDRO C[C@H]1COCC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816513849 632000686 /nfs/dbraw/zinc/00/06/86/632000686.db2.gz DOFYLDBJKPJPEW-CYBMUJFWSA-N 1 0 271.360 3.014 20 10 CGCDRO Oc1c(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)ccc2ccccc21 ZINC000816516836 632002819 /nfs/dbraw/zinc/00/28/19/632002819.db2.gz SNPCDCLAZAKWPK-WBVHZDCISA-N 1 0 297.398 3.404 20 10 CGCDRO OCc1ccccc1C[NH2+]Cc1ccc2ccccc2c1O ZINC000816538925 632006134 /nfs/dbraw/zinc/00/61/34/632006134.db2.gz MFPKSSAJRZHOPF-UHFFFAOYSA-N 1 0 293.366 3.328 20 10 CGCDRO CC[C@H](C)[C@@H](O)C[NH2+]Cc1ccc2ccccc2c1O ZINC000816548711 632007829 /nfs/dbraw/zinc/00/78/29/632007829.db2.gz QBJIJHYIEFOFHS-LRDDRELGSA-N 1 0 273.376 3.042 20 10 CGCDRO Oc1c(C[NH2+]CCOc2cccnc2)ccc2ccccc21 ZINC000816550451 632008650 /nfs/dbraw/zinc/00/86/50/632008650.db2.gz RFSZVGZCPUDOSJ-UHFFFAOYSA-N 1 0 294.354 3.109 20 10 CGCDRO C[C@@H](C[NH2+]Cc1ccc2ccccc2c1O)N(C)C1CC1 ZINC000816548747 632008710 /nfs/dbraw/zinc/00/87/10/632008710.db2.gz QZIQPOBFLJGWQY-ZDUSSCGKSA-N 1 0 284.403 3.118 20 10 CGCDRO CC[C@@H]([NH2+][C@H]1CCO[C@H](CC)C1)c1ccccc1O ZINC000817415781 632146381 /nfs/dbraw/zinc/14/63/81/632146381.db2.gz YSVBKUHHKAATMA-GZBFAFLISA-N 1 0 263.381 3.391 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCCC2(O)CCC2)c1 ZINC000817585196 632190387 /nfs/dbraw/zinc/19/03/87/632190387.db2.gz CEYPYLGTFMEYEF-CYBMUJFWSA-N 1 0 263.381 3.046 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCCC2(O)CCC2)c(O)c1C ZINC000817587164 632192644 /nfs/dbraw/zinc/19/26/44/632192644.db2.gz VKFKVAUXJJUNTC-CQSZACIVSA-N 1 0 277.408 3.355 20 10 CGCDRO Cc1cc(C[NH2+][C@@H]2CCc3cccc(O)c32)cc(C)n1 ZINC000817588550 632192855 /nfs/dbraw/zinc/19/28/55/632192855.db2.gz HAJWSPJKQWYSMT-OAHLLOKOSA-N 1 0 268.360 3.181 20 10 CGCDRO Cc1cc(C[NH2+][C@H](C)c2ccccc2O)cc(C)n1 ZINC000817589852 632193125 /nfs/dbraw/zinc/19/31/25/632193125.db2.gz QKDILTZGZYSUAW-CYBMUJFWSA-N 1 0 256.349 3.255 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccsc1 ZINC000817938483 632239557 /nfs/dbraw/zinc/23/95/57/632239557.db2.gz LFBMRJHJGDVYPZ-MLGOLLRUSA-N 1 0 289.448 3.165 20 10 CGCDRO C[C@@H]1CC[C@H](C)[C@@H]([NH2+]C[C@H](N)c2ccc(N(C)C)cc2)C1 ZINC000817942147 632240820 /nfs/dbraw/zinc/24/08/20/632240820.db2.gz MNZUBVUTVNUAJW-BODMPHMZSA-N 1 0 289.467 3.167 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H](N)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000817954676 632248875 /nfs/dbraw/zinc/24/88/75/632248875.db2.gz GMCQXIWFESRTIH-RTBURBONSA-N 1 0 297.446 3.493 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](N)c2ccccc2)c1 ZINC000817955578 632250102 /nfs/dbraw/zinc/25/01/02/632250102.db2.gz ZGLHKDWZGHHOGE-CZUORRHYSA-N 1 0 270.376 3.051 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](N)c2ccccc2)c(O)c1C ZINC000817955196 632250456 /nfs/dbraw/zinc/25/04/56/632250456.db2.gz SAYFMVMTNNETNB-YOEHRIQHSA-N 1 0 284.403 3.360 20 10 CGCDRO COc1ccc2c(c1)[C@H]([NH2+]CCc1ccc(N)cc1)CCC2 ZINC000817956247 632251103 /nfs/dbraw/zinc/25/11/03/632251103.db2.gz USXWBPVSWCWXBE-LJQANCHMSA-N 1 0 296.414 3.487 20 10 CGCDRO Nc1ccc(CC[NH2+][C@H]2CCCOc3ccccc32)cc1 ZINC000817955982 632251131 /nfs/dbraw/zinc/25/11/31/632251131.db2.gz MTLGOWBEGHEDJJ-KRWDZBQOSA-N 1 0 282.387 3.315 20 10 CGCDRO COc1ccccc1[C@H](C)[NH2+]CCc1ccc(N)cc1 ZINC000817955771 632251272 /nfs/dbraw/zinc/25/12/72/632251272.db2.gz HJQMZCVMCJMNEK-ZDUSSCGKSA-N 1 0 270.376 3.171 20 10 CGCDRO COc1ccc([C@H](C)[NH2+]CCc2ccc(N)cc2)cc1F ZINC000817955828 632251281 /nfs/dbraw/zinc/25/12/81/632251281.db2.gz IQICIQRAHCAQIA-LBPRGKRZSA-N 1 0 288.366 3.310 20 10 CGCDRO Nc1ccc(CC[NH2+][C@@H]2CCCc3ccccc32)cc1 ZINC000817955782 632251315 /nfs/dbraw/zinc/25/13/15/632251315.db2.gz HRWUOGNBUURJPM-GOSISDBHSA-N 1 0 266.388 3.479 20 10 CGCDRO CCC[C@@H]([NH2+]CCc1ccc(N)cc1)c1ccccn1 ZINC000817956750 632251814 /nfs/dbraw/zinc/25/18/14/632251814.db2.gz CDVFUPRSMOSFRT-MRXNPFEDSA-N 1 0 269.392 3.337 20 10 CGCDRO CSCC1CCC([NH2+]CCc2ccc(N)cc2)CC1 ZINC000817957611 632252078 /nfs/dbraw/zinc/25/20/78/632252078.db2.gz NDMGAPMYYMFPPR-UHFFFAOYSA-N 1 0 278.465 3.323 20 10 CGCDRO Nc1ccc(CC[NH2+][C@@H]2CCc3c2cccc3F)cc1 ZINC000817956458 632252246 /nfs/dbraw/zinc/25/22/46/632252246.db2.gz ZMMJETQVLCEWKD-QGZVFWFLSA-N 1 0 270.351 3.228 20 10 CGCDRO CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000817958792 632254698 /nfs/dbraw/zinc/25/46/98/632254698.db2.gz MNHROKLXHLEQBD-JOYOIKCWSA-N 1 0 290.329 3.045 20 10 CGCDRO C[C@H](NCC[NH2+]C1CCCCCC1)c1ccccc1O ZINC000817960871 632256076 /nfs/dbraw/zinc/25/60/76/632256076.db2.gz SDEYGHHSKXVIQC-AWEZNQCLSA-N 1 0 276.424 3.355 20 10 CGCDRO C[C@@H]([NH3+])c1ccc(C[NH2+][C@H](C)c2ccc(F)cc2[O-])cc1 ZINC000817963522 632258975 /nfs/dbraw/zinc/25/89/75/632258975.db2.gz TWQIZQRAXTYSOW-VXGBXAGGSA-N 1 0 288.366 3.402 20 10 CGCDRO CC[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ccc(F)cc1[O-] ZINC000817975406 632267874 /nfs/dbraw/zinc/26/78/74/632267874.db2.gz NDLWHWVGWLRCIM-XEZPLFJOSA-N 1 0 294.414 3.337 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)CCC[NH3+])c1cccc(Cl)c1[O-] ZINC000817977440 632268969 /nfs/dbraw/zinc/26/89/69/632268969.db2.gz KJFUYHNCMHYVJR-MFKMUULPSA-N 1 0 270.804 3.214 20 10 CGCDRO Cc1cc(N)cc(C[NH2+][C@@H]2CCc3cccc(O)c32)c1 ZINC000817982137 632271939 /nfs/dbraw/zinc/27/19/39/632271939.db2.gz XYYNRBNYXPGAHW-OAHLLOKOSA-N 1 0 268.360 3.060 20 10 CGCDRO CC[C@@H](N[C@@H]1CCCC[NH2+]C1)c1cc(Cl)ccc1O ZINC000817984757 632274772 /nfs/dbraw/zinc/27/47/72/632274772.db2.gz ZDGRHAFOAZTIDF-TZMCWYRMSA-N 1 0 282.815 3.228 20 10 CGCDRO CCOc1cccc(C[NH2+]C[C@@H]2C[C@H]2C2CCC2)c1O ZINC000818222748 632299188 /nfs/dbraw/zinc/29/91/88/632299188.db2.gz JDRXAEIUBODFPH-GJZGRUSLSA-N 1 0 275.392 3.317 20 10 CGCDRO COc1ccc(N2CC[C@@H](C[NH2+]CC(C)(C)C)C2)cc1 ZINC000818222318 632299273 /nfs/dbraw/zinc/29/92/73/632299273.db2.gz WQIKIAQVFUFIFZ-AWEZNQCLSA-N 1 0 276.424 3.157 20 10 CGCDRO CC[C@H]([NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1)C1CC1 ZINC000818345263 632312146 /nfs/dbraw/zinc/31/21/46/632312146.db2.gz SPCJZWHTYPEIRK-KDOFPFPSSA-N 1 0 288.435 3.300 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CC12CC2)c1ccc(Br)cc1O ZINC000818356253 632314058 /nfs/dbraw/zinc/31/40/58/632314058.db2.gz MDLZEOHILQZMNO-PRHODGIISA-N 1 0 282.181 3.358 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1cc(Cl)ccc1O ZINC000818360213 632315389 /nfs/dbraw/zinc/31/53/89/632315389.db2.gz OGLDQTBXPLJZPT-MWGHHZFTSA-N 1 0 251.757 3.495 20 10 CGCDRO COc1ccc(C[NH2+]C[C@@H](O)[C@@H](C)c2ccccc2)cc1C ZINC000818997569 632361755 /nfs/dbraw/zinc/36/17/55/632361755.db2.gz FZONBJTUCIOHSU-MAUKXSAKSA-N 1 0 299.414 3.258 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000822530068 632962042 /nfs/dbraw/zinc/96/20/42/632962042.db2.gz PHAQZZKJKDJFQE-QGZVFWFLSA-N 1 0 287.403 3.173 20 10 CGCDRO c1cnc2c(c1)[C@@H]([NH2+]Cc1ccc3c(c1)CCO3)CCC2 ZINC000866253447 633046662 /nfs/dbraw/zinc/04/66/62/633046662.db2.gz ZFKHCOLXBITGMD-KRWDZBQOSA-N 1 0 280.371 3.184 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+][C@@H]1CCO[C@H]1c1ccccc1)CC2 ZINC000866404992 633125395 /nfs/dbraw/zinc/12/53/95/633125395.db2.gz SDRWVFZRPATHAU-FCEWJHQRSA-N 1 0 295.382 3.499 20 10 CGCDRO CCC[C@@H](CCO)[NH2+][C@H](CC)c1ccc(C)cc1O ZINC000866415127 633127475 /nfs/dbraw/zinc/12/74/75/633127475.db2.gz PFAIPEPEEZWIMQ-DZGCQCFKSA-N 1 0 265.397 3.292 20 10 CGCDRO CN(C)c1ccc(C[NH2+]Cc2ccnc(Cl)c2F)cc1 ZINC000823609223 633127571 /nfs/dbraw/zinc/12/75/71/633127571.db2.gz QYAGJISEXRIYEU-UHFFFAOYSA-N 1 0 293.773 3.230 20 10 CGCDRO CC[C@H]([NH2+]CC[C@H](O)C(F)F)c1cc(Cl)ccc1O ZINC000866442467 633134150 /nfs/dbraw/zinc/13/41/50/633134150.db2.gz MIYBDJQFZIXWBO-JQWIXIFHSA-N 1 0 293.741 3.102 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)c(O)c1C ZINC000866445847 633136223 /nfs/dbraw/zinc/13/62/23/633136223.db2.gz SLDKBRYMBILMRN-DRCKWKKXSA-N 1 0 287.403 3.083 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC(C)(C)CC[C@H]2O)c(O)c1 ZINC000866452507 633141810 /nfs/dbraw/zinc/14/18/10/633141810.db2.gz IHOWSULSHZILEN-NWANDNLSSA-N 1 0 277.408 3.291 20 10 CGCDRO C[C@H]([NH2+][C@@H](C)[C@@H](O)C(F)(F)F)c1ccc(Cl)cc1O ZINC000866462964 633145078 /nfs/dbraw/zinc/14/50/78/633145078.db2.gz FGKMRBWDPDVUAI-OKTBNZSVSA-N 1 0 297.704 3.008 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2C[C@H]2C(F)(F)F)c1 ZINC000866499257 633160971 /nfs/dbraw/zinc/16/09/71/633160971.db2.gz HLTLUUXHSLEGPK-FBIMIBRVSA-N 1 0 259.271 3.302 20 10 CGCDRO C[C@H]([NH2+][C@@H](C1CCC1)[C@H]1CCOC1)c1cc(F)ccc1O ZINC000866513625 633169779 /nfs/dbraw/zinc/16/97/79/633169779.db2.gz WYOLQGYOXQZTCS-BNLOLNQZSA-N 1 0 293.382 3.387 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCn3nccc32)c(O)c1 ZINC000866634910 633223809 /nfs/dbraw/zinc/22/38/09/633223809.db2.gz VJSZZKYAYQGXPV-OCCSQVGLSA-N 1 0 271.364 3.083 20 10 CGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@@H]1CSC[C@@H]1C ZINC000824291163 633224120 /nfs/dbraw/zinc/22/41/20/633224120.db2.gz BDRWCUQHQAAZSY-SWLSCSKDSA-N 1 0 264.438 3.113 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@](C)(F)C2)cc1 ZINC000824472516 633249317 /nfs/dbraw/zinc/24/93/17/633249317.db2.gz UTTJVVNBMMWNJC-HNNXBMFYSA-N 1 0 250.361 3.077 20 10 CGCDRO COc1ccc(C[NH2+]C[C@H](Cc2ccccc2)OC)cc1C ZINC000824592014 633262430 /nfs/dbraw/zinc/26/24/30/633262430.db2.gz XLCKANUNTGBLPP-SFHVURJKSA-N 1 0 299.414 3.351 20 10 CGCDRO Cc1cc(O)c(CN2CC[C@H]([NH+]3CCCC3)C2)cc1Cl ZINC000824655815 633269263 /nfs/dbraw/zinc/26/92/63/633269263.db2.gz AFUPJJPKIDSWNX-AWEZNQCLSA-N 1 0 294.826 3.024 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C2(CF)CCOCC2)cc1 ZINC000824690916 633273000 /nfs/dbraw/zinc/27/30/00/633273000.db2.gz POKWMXNEBLBWPO-UHFFFAOYSA-N 1 0 294.414 3.141 20 10 CGCDRO Oc1ccc(F)cc1C[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000824697108 633275536 /nfs/dbraw/zinc/27/55/36/633275536.db2.gz YXZIPUBZYPUESX-BFYDXBDKSA-N 1 0 293.382 3.047 20 10 CGCDRO COc1cccc(O)c1C[NH2+]CC(C)(C)C1CCC1 ZINC000824790387 633291320 /nfs/dbraw/zinc/29/13/20/633291320.db2.gz UAMBVBLTHLHZKB-UHFFFAOYSA-N 1 0 263.381 3.317 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCSC[C@H]2C2CC2)cc1C ZINC000824914100 633304765 /nfs/dbraw/zinc/30/47/65/633304765.db2.gz LOCQAWCUBLISRP-HNNXBMFYSA-N 1 0 277.433 3.336 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2C[C@H](C3CC3)[C@@H]2C2CC2)c1 ZINC000824941368 633308990 /nfs/dbraw/zinc/30/89/90/633308990.db2.gz MUOHXZRTSRWNRA-WBVHZDCISA-N 1 0 257.377 3.321 20 10 CGCDRO CCOc1ccc(O)c(C[N@H+](C)[C@@H](CO)CC(C)(C)C)c1 ZINC000825041004 633320992 /nfs/dbraw/zinc/32/09/92/633320992.db2.gz YDNSTEJWTUJUNG-CQSZACIVSA-N 1 0 295.423 3.020 20 10 CGCDRO C[N@H+](Cc1cc(Cl)ccc1O)[C@@H](CO)CC(C)(C)C ZINC000825040623 633321034 /nfs/dbraw/zinc/32/10/34/633321034.db2.gz QENLCOCMUUZBFH-CYBMUJFWSA-N 1 0 285.815 3.275 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCc2cccnc2)cc1Cl ZINC000825097527 633327942 /nfs/dbraw/zinc/32/79/42/633327942.db2.gz VHKBZSAMEPRRPO-UHFFFAOYSA-N 1 0 276.767 3.081 20 10 CGCDRO CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000825299119 633343187 /nfs/dbraw/zinc/34/31/87/633343187.db2.gz CMZLDHWUFNLGHO-UKRRQHHQSA-N 1 0 283.799 3.483 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCC(F)(F)F)cc1Cl ZINC000825319813 633344741 /nfs/dbraw/zinc/34/47/41/633344741.db2.gz CPSXEDKGYQIADI-UHFFFAOYSA-N 1 0 267.678 3.396 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cc(Cl)c(C)cc1O)[C@H]1CCCO1 ZINC000825390197 633351743 /nfs/dbraw/zinc/35/17/43/633351743.db2.gz CHZHTAZLFBQMEL-UKRRQHHQSA-N 1 0 283.799 3.401 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@]2(C)CCO[C@H]2C)cc1Cl ZINC000825494398 633357742 /nfs/dbraw/zinc/35/77/42/633357742.db2.gz KZGYYBYKCJZOMT-IINYFYTJSA-N 1 0 269.772 3.011 20 10 CGCDRO CCCN(Cc1nccn1C(C)C)c1ccc(C[NH3+])cc1 ZINC000825710580 633376655 /nfs/dbraw/zinc/37/66/55/633376655.db2.gz UPOUESQOVICXOM-UHFFFAOYSA-N 1 0 286.423 3.339 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@@H]3CCCC[C@@H]32)c1 ZINC000826538973 633412466 /nfs/dbraw/zinc/41/24/66/633412466.db2.gz MWOBMKPDPOKCJU-WFASDCNBSA-N 1 0 261.365 3.165 20 10 CGCDRO Cc1cc(Br)cc(C[NH2+][C@H]2C=CCC2)c1O ZINC000826942182 633445345 /nfs/dbraw/zinc/44/53/45/633445345.db2.gz NQSXQOOLDSGJBP-LBPRGKRZSA-N 1 0 282.181 3.271 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1C[C@@H](O)c2ccccc21 ZINC000827172363 633467584 /nfs/dbraw/zinc/46/75/84/633467584.db2.gz RIUAJKJLFUZWFI-RTBURBONSA-N 1 0 296.414 3.329 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)cc1C)c1cnn(C)c1 ZINC000122662667 633476273 /nfs/dbraw/zinc/47/62/73/633476273.db2.gz TUQZXFMMZGSSKD-KRWDZBQOSA-N 1 0 286.423 3.035 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CCC[C@@H](CCF)C2)c(O)c1 ZINC000827271841 633477402 /nfs/dbraw/zinc/47/74/02/633477402.db2.gz UDFPBXQWDQDLJP-ZDUSSCGKSA-N 1 0 281.371 3.363 20 10 CGCDRO C[C@H](O)C1([NH2+]Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000827579696 633501085 /nfs/dbraw/zinc/50/10/85/633501085.db2.gz HLVQQMYVUMSDIQ-ZDUSSCGKSA-N 1 0 283.371 3.062 20 10 CGCDRO C[C@]1(CC[NH2+]Cc2cc(F)ccc2O)C[C@]1(F)Cl ZINC000846038426 636134560 /nfs/dbraw/zinc/13/45/60/636134560.db2.gz PHRBRCUZZBDXEK-QWHCGFSZSA-N 1 0 275.726 3.326 20 10 CGCDRO CC[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)CCO1 ZINC000830161028 633834251 /nfs/dbraw/zinc/83/42/51/633834251.db2.gz KKPILFMDWNLXAP-SJLPKXTDSA-N 1 0 288.435 3.334 20 10 CGCDRO COc1cccc(C[N@@H+]2CCc3c(F)cccc3C2)c1O ZINC000123804695 633882442 /nfs/dbraw/zinc/88/24/42/633882442.db2.gz VSRHBVABEQHRBW-UHFFFAOYSA-N 1 0 287.334 3.098 20 10 CGCDRO CC1(C)[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)[C@H]2CCCO[C@@H]21 ZINC000834602133 634195558 /nfs/dbraw/zinc/19/55/58/634195558.db2.gz KMIJTJCWZODMSI-KFZJALRRSA-N 1 0 287.403 3.173 20 10 CGCDRO CO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)c(C)c2)C12CCC2 ZINC000834654134 634209312 /nfs/dbraw/zinc/20/93/12/634209312.db2.gz JOSFQJCOEQYSNO-IAGOWNOFSA-N 1 0 288.435 3.108 20 10 CGCDRO OC[C@@H](C[NH2+][C@H]1CCc2cccc(O)c21)C1CCCCC1 ZINC000834810273 634245592 /nfs/dbraw/zinc/24/55/92/634245592.db2.gz AZXGWVJXRMIETN-CVEARBPZSA-N 1 0 289.419 3.158 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCn2ccnc21)c1ccc(C)cc1O ZINC000834830607 634250324 /nfs/dbraw/zinc/25/03/24/634250324.db2.gz FPAHIVSKFIPFIJ-UONOGXRCSA-N 1 0 271.364 3.083 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@@H](C)c2ccnn2C)cc1C ZINC000873151958 634259263 /nfs/dbraw/zinc/25/92/63/634259263.db2.gz DXVYTQQLZAFMIY-AWEZNQCLSA-N 1 0 287.407 3.368 20 10 CGCDRO C[C@H](CCCCO)[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000834877111 634263837 /nfs/dbraw/zinc/26/38/37/634263837.db2.gz FYOTVAGVNOWVHR-WZRBSPASSA-N 1 0 281.371 3.220 20 10 CGCDRO CO[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000834886028 634267364 /nfs/dbraw/zinc/26/73/64/634267364.db2.gz HIXMRMOWRDLDER-LEJCRSTHSA-N 1 0 279.355 3.237 20 10 CGCDRO CC(C)OC1(C[NH2+]Cc2ccc(N(C)C)cc2)CCC1 ZINC000873168863 634269576 /nfs/dbraw/zinc/26/95/76/634269576.db2.gz GHXQKDKGVWBULL-UHFFFAOYSA-N 1 0 276.424 3.190 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)c1cc(Cl)cc(C)c1O)[C@@H](C)O ZINC000834889813 634269786 /nfs/dbraw/zinc/26/97/86/634269786.db2.gz ZXAUIEUYBDOEAF-BREBYQMCSA-N 1 0 271.788 3.164 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2C[C@@H](C)n3ccnc32)c1 ZINC000834892639 634270711 /nfs/dbraw/zinc/27/07/11/634270711.db2.gz CCKWGAXWSDNLMA-MBNYWOFBSA-N 1 0 271.364 3.254 20 10 CGCDRO CCn1ccnc1[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000834892687 634271145 /nfs/dbraw/zinc/27/11/45/634271145.db2.gz CMKRGFBWDPNQGO-QWRGUYRKSA-N 1 0 277.343 3.160 20 10 CGCDRO C[C@H]1C[C@@H]([NH2+]C[C@H]2CCCC[C@@H]2O)c2c1c(F)ccc2O ZINC000834895732 634273151 /nfs/dbraw/zinc/27/31/51/634273151.db2.gz DIEBDEQTNMTUSZ-UNJBNNCHSA-N 1 0 293.382 3.220 20 10 CGCDRO CCc1ncc(C[NH2+][C@@H](CC)c2ccc(C)cc2O)o1 ZINC000834898840 634275493 /nfs/dbraw/zinc/27/54/93/634275493.db2.gz HFXHDBGZCPCXAK-AWEZNQCLSA-N 1 0 274.364 3.492 20 10 CGCDRO C[C@H]([NH2+][C@@H]1COCC1(C)C)c1cc2c(cc1O)CCCC2 ZINC000834904391 634281432 /nfs/dbraw/zinc/28/14/32/634281432.db2.gz NXKUNSUJOYZCNU-YVEFUNNKSA-N 1 0 289.419 3.347 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1COCC1(C)C)c1ccc(C)cc1O ZINC000834904344 634281606 /nfs/dbraw/zinc/28/16/06/634281606.db2.gz NRIJJTJWGZNDTE-DZGCQCFKSA-N 1 0 263.381 3.166 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)c1cc(Cl)ccc1O ZINC000834914498 634286443 /nfs/dbraw/zinc/28/64/43/634286443.db2.gz FXTDWGLBHXSFRU-FOGDFJRCSA-N 1 0 269.772 3.264 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000873256191 634304680 /nfs/dbraw/zinc/30/46/80/634304680.db2.gz KWXVIDIJZHHRCV-IWSPIJDZSA-N 1 0 289.206 3.087 20 10 CGCDRO C[C@@H]([NH2+]Cc1cc(N)cc(F)c1)c1ccc(N(C)C)cc1 ZINC000873288080 634319615 /nfs/dbraw/zinc/31/96/15/634319615.db2.gz UMDNZQRIBNHQIF-GFCCVEGCSA-N 1 0 287.382 3.325 20 10 CGCDRO CN(C)c1ccc(/C=C\C[N@H+](CCO)C2CCCC2)cc1 ZINC000835026475 634325741 /nfs/dbraw/zinc/32/57/41/634325741.db2.gz XMRPUORBTIFQFQ-WAYWQWQTSA-N 1 0 288.435 3.003 20 10 CGCDRO CN(C)c1ccc(/C=C/C[N@H+](C)Cc2ccoc2)cc1 ZINC000835026709 634325811 /nfs/dbraw/zinc/32/58/11/634325811.db2.gz FLMZKGNKNBBQFQ-SNAWJCMRSA-N 1 0 270.376 3.491 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+]CCOC(C)(C)C)cc1 ZINC000835035288 634327558 /nfs/dbraw/zinc/32/75/58/634327558.db2.gz FZGNKALDKIJCLA-VOTSOKGWSA-N 1 0 276.424 3.171 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+]Cc2ccccc2CO)cc1 ZINC000835037010 634328282 /nfs/dbraw/zinc/32/82/82/634328282.db2.gz TZSRXCBKMZKATF-AATRIKPKSA-N 1 0 296.414 3.048 20 10 CGCDRO Cc1csc(C[NH2+]C/C=C/c2ccc(N(C)C)cc2)n1 ZINC000835036674 634328679 /nfs/dbraw/zinc/32/86/79/634328679.db2.gz QCBLXTSNAOFTPD-SNAWJCMRSA-N 1 0 287.432 3.321 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H]2CCOC(C)(C)C2)cc1 ZINC000835041221 634329894 /nfs/dbraw/zinc/32/98/94/634329894.db2.gz JVPNIQFZOZMMPG-OGZRUICASA-N 1 0 288.435 3.313 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H](CO)CC(C)(C)C)cc1 ZINC000835041942 634330536 /nfs/dbraw/zinc/33/05/36/634330536.db2.gz PLXJPTFEUFUBCI-MWWKQMNYSA-N 1 0 290.451 3.153 20 10 CGCDRO C[C@H](C[C@H]1CCOC1)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835041857 634330727 /nfs/dbraw/zinc/33/07/27/634330727.db2.gz FKKPSJZDXWTJBS-XQJUWPJRSA-N 1 0 288.435 3.171 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+]CC2(C)CCOCC2)cc1 ZINC000835044175 634331709 /nfs/dbraw/zinc/33/17/09/634331709.db2.gz XOYYKRXCRPVTHQ-PLNGDYQASA-N 1 0 288.435 3.172 20 10 CGCDRO CN(C)c1ccc(/C=C\C[N@H+](C)[C@H]2CC[C@H](O)CC2)cc1 ZINC000835045018 634332751 /nfs/dbraw/zinc/33/27/51/634332751.db2.gz HQFYXKZGCDQBFE-YFTNUUPDSA-N 1 0 288.435 3.001 20 10 CGCDRO CN(C)c1ccc(/C=C\C[N@H+](CC(C)(C)O)C2CC2)cc1 ZINC000835045988 634332806 /nfs/dbraw/zinc/33/28/06/634332806.db2.gz MVAZHVXUYCYWQY-WAYWQWQTSA-N 1 0 288.435 3.001 20 10 CGCDRO C[C@H]([NH2+]C/C=C/c1ccc(N(C)C)cc1)c1cc[nH]c(=O)c1 ZINC000835051839 634337277 /nfs/dbraw/zinc/33/72/77/634337277.db2.gz AAVBMAUAAOAFRU-NNTXTVRGSA-N 1 0 297.402 3.217 20 10 CGCDRO CC(C)C[C@@H](CO)[N@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835054507 634338519 /nfs/dbraw/zinc/33/85/19/634338519.db2.gz WEXKXUHQFJFKIG-MJRGOJFPSA-N 1 0 290.451 3.105 20 10 CGCDRO CCn1cc([C@H](C)[NH2+]C/C=C\c2ccc(N(C)C)cc2)cn1 ZINC000835055560 634339378 /nfs/dbraw/zinc/33/93/78/634339378.db2.gz WHQGXZOGZHDINE-XHPSBEMXSA-N 1 0 298.434 3.333 20 10 CGCDRO COC1(C[NH2+]C/C=C\c2ccc(N(C)C)cc2)CCCC1 ZINC000835054942 634339519 /nfs/dbraw/zinc/33/95/19/634339519.db2.gz OKSNOPRKXMJIRR-SREVYHEPSA-N 1 0 288.435 3.315 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+]CCCCF)cc1 ZINC000835056632 634341075 /nfs/dbraw/zinc/34/10/75/634341075.db2.gz WGJPLOURFPXECI-WAYWQWQTSA-N 1 0 250.361 3.105 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CCOC(C)(C)C2)cc1F ZINC000835059543 634342056 /nfs/dbraw/zinc/34/20/56/634342056.db2.gz IZGIIQPDWZDHHB-CQSZACIVSA-N 1 0 294.414 3.187 20 10 CGCDRO CCC(C)(C)OCC[NH2+]Cc1cc(C)c(C)cc1O ZINC000835085844 634350676 /nfs/dbraw/zinc/35/06/76/634350676.db2.gz ZNLUOBURIFIXAK-UHFFFAOYSA-N 1 0 265.397 3.304 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]CCc1ccccc1F ZINC000876882684 634920107 /nfs/dbraw/zinc/92/01/07/634920107.db2.gz OABJOXMKYRYGIQ-UHFFFAOYSA-N 1 0 259.324 3.172 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]CCc1ccc(F)cc1 ZINC000876894952 634923816 /nfs/dbraw/zinc/92/38/16/634923816.db2.gz ZXRYZACUSJUPKU-UHFFFAOYSA-N 1 0 259.324 3.172 20 10 CGCDRO Cc1ccc(C[NH2+]C[C@H]2CCN(c3ccccc3)C2)c(O)c1 ZINC000876929024 634929543 /nfs/dbraw/zinc/92/95/43/634929543.db2.gz FWSYQYVZYOFMPD-MRXNPFEDSA-N 1 0 296.414 3.317 20 10 CGCDRO COc1nc(C)cc(C)c1C[NH2+]Cc1ccc(C)cc1O ZINC000877004388 634947395 /nfs/dbraw/zinc/94/73/95/634947395.db2.gz MEQTWLYRXITZON-UHFFFAOYSA-N 1 0 286.375 3.011 20 10 CGCDRO c1csc(SCCC[NH2+]CC2CCSCC2)n1 ZINC000877061964 634967475 /nfs/dbraw/zinc/96/74/75/634967475.db2.gz WNGLUBFQIQUCND-UHFFFAOYSA-N 1 0 288.507 3.358 20 10 CGCDRO CCO[C@@H](CC[NH2+]Cc1c(C)cccc1O)C(C)C ZINC000877083077 634978013 /nfs/dbraw/zinc/97/80/13/634978013.db2.gz HNVBFELJGMXREW-INIZCTEOSA-N 1 0 265.397 3.241 20 10 CGCDRO Cc1ccsc1CC[NH2+]Cc1c(C)cccc1O ZINC000877132951 634996653 /nfs/dbraw/zinc/99/66/53/634996653.db2.gz RVQHMGMDDNRYOZ-UHFFFAOYSA-N 1 0 261.390 3.403 20 10 CGCDRO Cc1ccsc1CC[NH2+]Cc1ccc(C)cc1O ZINC000877132439 634996782 /nfs/dbraw/zinc/99/67/82/634996782.db2.gz DOHUJQDCBDVEOX-UHFFFAOYSA-N 1 0 261.390 3.403 20 10 CGCDRO Cc1ccc(C[NH2+]C[C@@H](C)c2nccs2)c(O)c1 ZINC000877338509 635027779 /nfs/dbraw/zinc/02/77/79/635027779.db2.gz GJRUYLXFEGNTEC-LLVKDONJSA-N 1 0 262.378 3.050 20 10 CGCDRO Cc1ccc2c(c1)nc(C[NH2+]Cc1c(C)cccc1O)n2C ZINC000877401026 635035636 /nfs/dbraw/zinc/03/56/36/635035636.db2.gz ZLBUDLZOPWIIJU-UHFFFAOYSA-N 1 0 295.386 3.186 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)[C@H]1C[C@H]1C ZINC000840718568 635041255 /nfs/dbraw/zinc/04/12/55/635041255.db2.gz ZFQJTCMXYAONQV-FSZRXZPDSA-N 1 0 288.435 3.218 20 10 CGCDRO CCCN(Cc1cncc(OC)c1C)c1ccc(C[NH3+])cc1 ZINC000877477959 635052317 /nfs/dbraw/zinc/05/23/17/635052317.db2.gz JGJNBNLKJZMOCH-UHFFFAOYSA-N 1 0 299.418 3.274 20 10 CGCDRO Cc1ccc(C[NH2+][C@H](C)c2c(F)cncc2F)c(O)c1 ZINC000877520573 635069634 /nfs/dbraw/zinc/06/96/34/635069634.db2.gz BLSGLCFEIUMXSX-SNVBAGLBSA-N 1 0 278.302 3.225 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(C)(C)OCC2CC2)c1 ZINC000840876049 635071152 /nfs/dbraw/zinc/07/11/52/635071152.db2.gz JBAYFVHDFDOMHK-LBPRGKRZSA-N 1 0 293.407 3.257 20 10 CGCDRO CCOCCCC[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840880781 635072526 /nfs/dbraw/zinc/07/25/26/635072526.db2.gz MAVNCRJWHPMBFG-UHFFFAOYSA-N 1 0 271.788 3.260 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H]1CC[C@H]1C ZINC000840895496 635078014 /nfs/dbraw/zinc/07/80/14/635078014.db2.gz YWOAXFXFZLRQCB-HACGYAERSA-N 1 0 260.425 3.380 20 10 CGCDRO Cc1cc(O)c(C[N@H+](CCCCO)C2CC2)c(Cl)c1 ZINC000840915342 635081699 /nfs/dbraw/zinc/08/16/99/635081699.db2.gz PLFFIMSJHYHXCT-UHFFFAOYSA-N 1 0 283.799 3.091 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCOC(C)(C)C1 ZINC000840935719 635084723 /nfs/dbraw/zinc/08/47/23/635084723.db2.gz BKXAQBBFBASAFI-HNNXBMFYSA-N 1 0 276.424 3.108 20 10 CGCDRO CSCC[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840933620 635084931 /nfs/dbraw/zinc/08/49/31/635084931.db2.gz IPRMZJNGXUADMR-CYBMUJFWSA-N 1 0 266.454 3.292 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@]3(C2)CCCOC3)c(Cl)c1 ZINC000840943396 635087964 /nfs/dbraw/zinc/08/79/64/635087964.db2.gz QBDVWTZIEBZTRH-INIZCTEOSA-N 1 0 295.810 3.357 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@H+]1CCSC[C@@H](C)C1 ZINC000840941759 635088642 /nfs/dbraw/zinc/08/86/42/635088642.db2.gz KQHVUQCDWGBLPY-ZDUSSCGKSA-N 1 0 278.465 3.246 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCOC[C@@H]2C)c(Cl)c1 ZINC000840946980 635089214 /nfs/dbraw/zinc/08/92/14/635089214.db2.gz IUIRMNCEKUODQO-NWDGAFQWSA-N 1 0 283.799 3.116 20 10 CGCDRO Cc1cc(O)c(C[N@H+](C)CCCn2ccnc2)c(Cl)c1 ZINC000840948441 635089580 /nfs/dbraw/zinc/08/95/80/635089580.db2.gz IDKWRPNDJJTLOB-UHFFFAOYSA-N 1 0 293.798 3.073 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CC(C)(C)C(C)(C)O)c(Cl)c1 ZINC000840951599 635091334 /nfs/dbraw/zinc/09/13/34/635091334.db2.gz CFHOSDVYPNXQLL-UHFFFAOYSA-N 1 0 285.815 3.241 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CCC[C@H]2C2CC2)c1 ZINC000840954335 635092108 /nfs/dbraw/zinc/09/21/08/635092108.db2.gz HLBAOLBZMDLQRT-BBRMVZONSA-N 1 0 275.392 3.317 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2C[C@H](O)C[C@H]2c2ccccc2)c1 ZINC000840959615 635094248 /nfs/dbraw/zinc/09/42/48/635094248.db2.gz YYKSOMCEGIZBEH-SJORKVTESA-N 1 0 283.371 3.009 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1cscn1 ZINC000840974957 635097784 /nfs/dbraw/zinc/09/77/84/635097784.db2.gz ALGYFYNZFGFXBS-ZDUSSCGKSA-N 1 0 289.448 3.238 20 10 CGCDRO Cc1cccc(C[NH2+]CC(C)(C)c2cccnc2)c1O ZINC000840977012 635099267 /nfs/dbraw/zinc/09/92/67/635099267.db2.gz ZYOFJMNSKNWQAJ-UHFFFAOYSA-N 1 0 270.376 3.163 20 10 CGCDRO Cc1cccc(O)c1C[NH2+][C@@H](c1ccccc1F)[C@H](C)O ZINC000877610210 635110493 /nfs/dbraw/zinc/11/04/93/635110493.db2.gz HKZCLOPGFYUCHL-YVEFUNNKSA-N 1 0 289.350 3.051 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H](C)[C@](C)(O)c2ccccc2)c(O)c1 ZINC000877610461 635111282 /nfs/dbraw/zinc/11/12/82/635111282.db2.gz PGSCGSVGONPLDK-KSSFIOAISA-N 1 0 285.387 3.086 20 10 CGCDRO Cc1cc(O)c(CN2CC[NH2+]Cc3ccccc32)cc1C ZINC000841036013 635111237 /nfs/dbraw/zinc/11/12/37/635111237.db2.gz NKZZMHDQRMFJNQ-UHFFFAOYSA-N 1 0 282.387 3.119 20 10 CGCDRO CC[NH2+]Cc1cccc(NCc2ccccc2O)c1 ZINC000841043789 635113319 /nfs/dbraw/zinc/11/33/19/635113319.db2.gz UUTCVORPDMKQGJ-UHFFFAOYSA-N 1 0 256.349 3.114 20 10 CGCDRO CN(C)c1ccc([C@@H](N)C[NH2+]CC2CCCCCC2)cc1 ZINC000841043867 635113424 /nfs/dbraw/zinc/11/34/24/635113424.db2.gz QUXPFCKGHFICDP-SFHVURJKSA-N 1 0 289.467 3.312 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC000877617961 635114169 /nfs/dbraw/zinc/11/41/69/635114169.db2.gz AVLGCCSFVYIJQL-HNNXBMFYSA-N 1 0 275.392 3.234 20 10 CGCDRO Nc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cc(F)ccc1O ZINC000841059100 635116379 /nfs/dbraw/zinc/11/63/79/635116379.db2.gz ZLCRLWHIBVJYPD-INIZCTEOSA-N 1 0 286.350 3.281 20 10 CGCDRO Cc1ccc(C[NH2+]C[C@@H]2CCC3(CCCC3)O2)c(O)c1 ZINC000877621364 635116759 /nfs/dbraw/zinc/11/67/59/635116759.db2.gz RBAVARRULMZIFF-HNNXBMFYSA-N 1 0 275.392 3.282 20 10 CGCDRO COc1cccc(O)c1C[NH2+]Cc1ccc2c(c1)CCCN2 ZINC000841071090 635117674 /nfs/dbraw/zinc/11/76/74/635117674.db2.gz XMMGARYHWUZEMY-UHFFFAOYSA-N 1 0 298.386 3.049 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000877635908 635125358 /nfs/dbraw/zinc/12/53/58/635125358.db2.gz HKOQQVVAMZDYEV-UHFFFAOYSA-N 1 0 287.403 3.092 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)CCc2cccnc2)c1 ZINC000877652897 635132630 /nfs/dbraw/zinc/13/26/30/635132630.db2.gz PJDFFXYDJYJALZ-AWEZNQCLSA-N 1 0 270.376 3.207 20 10 CGCDRO CCn1nc(C)c(C[N@H+](C)Cc2ccc(C)cc2O)c1C ZINC000877664065 635137594 /nfs/dbraw/zinc/13/75/94/635137594.db2.gz LAPVDCHNYZBWLD-UHFFFAOYSA-N 1 0 287.407 3.166 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2C[C@@H](C)O[C@H]2C)cc1Cl ZINC000877682371 635143544 /nfs/dbraw/zinc/14/35/44/635143544.db2.gz NHCNEQKXSPLUAB-GBIKHYSHSA-N 1 0 269.772 3.010 20 10 CGCDRO CC[C@@H]1C[C@H](C[NH2+][C@@H](C)c2ccccc2O)CCO1 ZINC000877757093 635186272 /nfs/dbraw/zinc/18/62/72/635186272.db2.gz FTWKMOUGNKCIDA-BFHYXJOUSA-N 1 0 263.381 3.248 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)c1ccc(Cl)cc1O ZINC000841752824 635226970 /nfs/dbraw/zinc/22/69/70/635226970.db2.gz CIMKVTGAFNDAKT-SCVCMEIPSA-N 1 0 269.772 3.264 20 10 CGCDRO CC(C)OCC[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841755198 635229090 /nfs/dbraw/zinc/22/90/90/635229090.db2.gz XQKWMVYMMLXJLC-SNVBAGLBSA-N 1 0 257.761 3.121 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc(C)cc1O)[C@H](O)c1ccccc1 ZINC000877832435 635232879 /nfs/dbraw/zinc/23/28/79/635232879.db2.gz LQXRVAAWIPZCGQ-SJLPKXTDSA-N 1 0 285.387 3.302 20 10 CGCDRO C=C/C=C\CC[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000877922770 635272685 /nfs/dbraw/zinc/27/26/85/635272685.db2.gz GUCHXMXKUNDMIU-PLNGDYQASA-N 1 0 286.419 3.087 20 10 CGCDRO CC[C@H](C)C[C@@H](CO)[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000842916404 635511818 /nfs/dbraw/zinc/51/18/18/635511818.db2.gz JQXWNCITHZZWCF-CQDKDKBSSA-N 1 0 279.424 3.457 20 10 CGCDRO CC[C@H](C)C[C@H](CO)[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000842919984 635511822 /nfs/dbraw/zinc/51/18/22/635511822.db2.gz XHHOMAGFLSRRIL-FMSGJZPZSA-N 1 0 295.398 3.466 20 10 CGCDRO Oc1cccc(Cl)c1C[N@@H+]1CCC2(CCC2)C1 ZINC000127152004 635527330 /nfs/dbraw/zinc/52/73/30/635527330.db2.gz OYGUWMVGNBKECD-UHFFFAOYSA-N 1 0 251.757 3.422 20 10 CGCDRO COc1ccsc1CN1CCCc2cc(C[NH3+])ccc21 ZINC000843057423 635553373 /nfs/dbraw/zinc/55/33/73/635553373.db2.gz DFFDQJJQJJRHEE-UHFFFAOYSA-N 1 0 288.416 3.168 20 10 CGCDRO CC(C)(C)c1cc(CN2CCCc3cc(C[NH3+])ccc32)no1 ZINC000843351821 635652709 /nfs/dbraw/zinc/65/27/09/635652709.db2.gz GDVDGOWZXRIQHU-UHFFFAOYSA-N 1 0 299.418 3.384 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](c3cccnc3)C2)c1O ZINC000843419076 635664485 /nfs/dbraw/zinc/66/44/85/635664485.db2.gz BFBRMBPJLLFBCM-OAHLLOKOSA-N 1 0 298.386 3.175 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000843419693 635664699 /nfs/dbraw/zinc/66/46/99/635664699.db2.gz PTKNYJUCQZLNHR-CYBMUJFWSA-N 1 0 288.778 3.430 20 10 CGCDRO COc1ccccc1C1([NH2+]Cc2cccc(C)c2O)CC1 ZINC000843422069 635666850 /nfs/dbraw/zinc/66/68/50/635666850.db2.gz KUEORBATTYXFEO-UHFFFAOYSA-N 1 0 283.371 3.488 20 10 CGCDRO CCOc1ccc(O)c(C[NH+]2CC(C)(CC(F)F)C2)c1 ZINC000843424771 635670147 /nfs/dbraw/zinc/67/01/47/635670147.db2.gz JCAPHRLRBNXPJU-UHFFFAOYSA-N 1 0 285.334 3.268 20 10 CGCDRO CCOC(=O)CC(C)(C)CC[NH2+][C@@H](C)c1ccccc1O ZINC000879650448 635826391 /nfs/dbraw/zinc/82/63/91/635826391.db2.gz ACUWIQMHUWXPOP-ZDUSSCGKSA-N 1 0 293.407 3.412 20 10 CGCDRO C[C@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)N(C)c1ccccc1 ZINC000879652541 635828372 /nfs/dbraw/zinc/82/83/72/635828372.db2.gz FOQZUWVBVGEDEK-KBPBESRZSA-N 1 0 298.386 3.094 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](OC(C)C)C2)c1 ZINC000846016830 636129695 /nfs/dbraw/zinc/12/96/95/636129695.db2.gz XSMVSGUHNVOUGY-MRXNPFEDSA-N 1 0 293.407 3.180 20 10 CGCDRO COc1cc(O)c(C[NH2+][C@@H]2C[C@H]2CC(C)(C)C)cc1OC ZINC000846026998 636132101 /nfs/dbraw/zinc/13/21/01/636132101.db2.gz YILNUTUWQULUOJ-WCQYABFASA-N 1 0 293.407 3.324 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)[C@](C)(O)c2ccccc2)c1 ZINC000846040837 636136561 /nfs/dbraw/zinc/13/65/61/636136561.db2.gz WPUXQZGIRWWURY-KSSFIOAISA-N 1 0 285.387 3.086 20 10 CGCDRO COc1cccc(C[NH+]2CCC3(CC3(F)F)CC2)c1O ZINC000846054285 636139116 /nfs/dbraw/zinc/13/91/16/636139116.db2.gz KIHZNJCLLJOEAP-UHFFFAOYSA-N 1 0 283.318 3.022 20 10 CGCDRO CCn1cc(C[N@H+](Cc2ccccc2O)C(C)C)cn1 ZINC000846054918 636139792 /nfs/dbraw/zinc/13/97/92/636139792.db2.gz HWFDRNUPWYDQKP-UHFFFAOYSA-N 1 0 273.380 3.019 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2COc3ccccc3C2)c1O ZINC000846141640 636148641 /nfs/dbraw/zinc/14/86/41/636148641.db2.gz LJHGHOBCZIALKS-JSGCOSHPSA-N 1 0 299.370 3.055 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]C[C@H](OC)C(C)(C)C)c1O ZINC000846149120 636149661 /nfs/dbraw/zinc/14/96/61/636149661.db2.gz VXHRKOFKAPYFEF-RISCZKNCSA-N 1 0 281.396 3.113 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]CC2Cc3ccccc3C2)c1O ZINC000846151571 636150520 /nfs/dbraw/zinc/15/05/20/636150520.db2.gz BEHLUZGHPIDIOX-CYBMUJFWSA-N 1 0 297.398 3.466 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc2nonc2c1)c1ccccc1O ZINC000846844009 636258335 /nfs/dbraw/zinc/25/83/35/636258335.db2.gz JYOFIZOFNKFZCX-ZDUSSCGKSA-N 1 0 283.331 3.169 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000129964631 636401523 /nfs/dbraw/zinc/40/15/23/636401523.db2.gz KTYYERZAHJMPLP-NSHDSACASA-N 1 0 281.783 3.047 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H](C2CC2)[C@@H]2CCCCO2)cc1 ZINC000848560013 636605153 /nfs/dbraw/zinc/60/51/53/636605153.db2.gz IXZIMUMAFLDIOX-ROUUACIJSA-N 1 0 288.435 3.190 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@H](C2CC2)[C@@H]2CCCCO2)cc1 ZINC000848560014 636605345 /nfs/dbraw/zinc/60/53/45/636605345.db2.gz IXZIMUMAFLDIOX-ZWKOTPCHSA-N 1 0 288.435 3.190 20 10 CGCDRO CC(C)(C)O[C@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000848567313 636610279 /nfs/dbraw/zinc/61/02/79/636610279.db2.gz SJPYMRPXQKSYBZ-JOCQHMNTSA-N 1 0 283.799 3.481 20 10 CGCDRO CCOc1cccc(C[NH2+]C[C@@H]2CCC(C)(C)CO2)c1O ZINC000883243597 636610630 /nfs/dbraw/zinc/61/06/30/636610630.db2.gz PYNCHTSTYWUDOO-AWEZNQCLSA-N 1 0 293.407 3.086 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCN3CCCC[C@H]23)c1 ZINC000848568351 636610618 /nfs/dbraw/zinc/61/06/18/636610618.db2.gz GJMGPBPJXOVXIR-BHYGNILZSA-N 1 0 288.435 3.368 20 10 CGCDRO CC[C@H]([NH2+]Cc1cc(C)ccc1O)[C@H]1CCCCO1 ZINC000848575543 636614870 /nfs/dbraw/zinc/61/48/70/636614870.db2.gz SCGMAQCKYNDTGH-GOEBONIOSA-N 1 0 263.381 3.138 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCS[C@@H](C)[C@H]2C)c1O ZINC000848887296 636674926 /nfs/dbraw/zinc/67/49/26/636674926.db2.gz SFWKBQDLQJZGLK-NEPJUHHUSA-N 1 0 265.422 3.280 20 10 CGCDRO CCc1cccc(C[NH+]2CCC(OCC3CC3)CC2)c1O ZINC000848888794 636676573 /nfs/dbraw/zinc/67/65/73/636676573.db2.gz BTTZECKMBQNVCC-UHFFFAOYSA-N 1 0 289.419 3.346 20 10 CGCDRO CCc1cccc(C[N@H+](C)[C@H]2CCCc3c2cnn3C)c1O ZINC000848891021 636677834 /nfs/dbraw/zinc/67/78/34/636677834.db2.gz WEWUHASQHNPKSY-INIZCTEOSA-N 1 0 299.418 3.198 20 10 CGCDRO CCc1cccc(C[NH2+]CCc2sc(C)nc2C)c1O ZINC000848894443 636679149 /nfs/dbraw/zinc/67/91/49/636679149.db2.gz FFJHPYHDPPOPJP-UHFFFAOYSA-N 1 0 290.432 3.360 20 10 CGCDRO CCc1cccc(C[NH2+]Cc2ccc3c(c2)CCO3)c1O ZINC000848895110 636679180 /nfs/dbraw/zinc/67/91/80/636679180.db2.gz PMHXVFZLBUCXTH-UHFFFAOYSA-N 1 0 283.371 3.179 20 10 CGCDRO CCc1cccc(C[NH2+][C@H](CO)c2ccccc2C)c1O ZINC000848898689 636680716 /nfs/dbraw/zinc/68/07/16/636680716.db2.gz XFYQFDFLQDXWJH-QGZVFWFLSA-N 1 0 285.387 3.086 20 10 CGCDRO CCc1cccc(C[NH2+]Cc2ccccc2N(C)C)c1O ZINC000848900290 636681888 /nfs/dbraw/zinc/68/18/88/636681888.db2.gz KBSSASGIRTVOIW-UHFFFAOYSA-N 1 0 284.403 3.310 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCC[C@@H](c3nccn3C)C2)c1O ZINC000848907826 636685660 /nfs/dbraw/zinc/68/56/60/636685660.db2.gz UGSVEAHJNGTOSV-MRXNPFEDSA-N 1 0 299.418 3.068 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCCC[C@H]2c2ccnn2C)c1O ZINC000848909037 636686756 /nfs/dbraw/zinc/68/67/56/636686756.db2.gz JDYWNLZYBWXLPH-KRWDZBQOSA-N 1 0 299.418 3.415 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCC[C@@H](COC)CC2)c1O ZINC000848915740 636689933 /nfs/dbraw/zinc/68/99/33/636689933.db2.gz ZLKYGHBDNMDENC-CQSZACIVSA-N 1 0 277.408 3.203 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCC[C@H](OC3CCC3)C2)c1O ZINC000848925044 636697313 /nfs/dbraw/zinc/69/73/13/636697313.db2.gz LQHBBHDGKSWWMV-INIZCTEOSA-N 1 0 275.392 3.234 20 10 CGCDRO CCNC(=[NH2+])NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000848998972 636710373 /nfs/dbraw/zinc/71/03/73/636710373.db2.gz OWNHBTTZXRFHBT-UHFFFAOYSA-N 1 0 288.439 3.089 20 10 CGCDRO CC[C@H]([NH2+]CCCSc1nccs1)[C@H]1CCOC1 ZINC000132275917 636798058 /nfs/dbraw/zinc/79/80/58/636798058.db2.gz CLZUJUDJZJATOW-RYUDHWBXSA-N 1 0 286.466 3.030 20 10 CGCDRO COC[C@@H](C)C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000187260312 636800591 /nfs/dbraw/zinc/80/05/91/636800591.db2.gz HYPQNGKSSXBUEI-AWEZNQCLSA-N 1 0 277.408 3.419 20 10 CGCDRO CC[C@H](C)[NH2+]Cc1cc(Br)cc(C)c1O ZINC000132548984 636818030 /nfs/dbraw/zinc/81/80/30/636818030.db2.gz CUVLYXAOBYXEAF-VIFPVBQESA-N 1 0 272.186 3.351 20 10 CGCDRO Oc1cccc(Cl)c1CN1CCC([NH2+]CC2CC2)CC1 ZINC000133617095 636961814 /nfs/dbraw/zinc/96/18/14/636961814.db2.gz UEEHTBDENYJHMB-UHFFFAOYSA-N 1 0 294.826 3.010 20 10 CGCDRO CC[C@@H](COCC1CC1)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000850349148 637022987 /nfs/dbraw/zinc/02/29/87/637022987.db2.gz CVHQWVLFNPFZOT-INIZCTEOSA-N 1 0 276.424 3.047 20 10 CGCDRO CCOc1cccc(C[NH2+]CC2CCSCC2)c1O ZINC000134608861 637031090 /nfs/dbraw/zinc/03/10/90/637031090.db2.gz UVVUCZOXGIKFBK-UHFFFAOYSA-N 1 0 281.421 3.024 20 10 CGCDRO COc1ccc(C[NH2+]CCc2ccc(C)c(C)c2)c(O)c1 ZINC000850367184 637031399 /nfs/dbraw/zinc/03/13/99/637031399.db2.gz VUCZABUPOIYFEH-UHFFFAOYSA-N 1 0 285.387 3.350 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H]2C[C@@H](O)c3ccccc32)c1O ZINC000850371413 637035375 /nfs/dbraw/zinc/03/53/75/637035375.db2.gz JFXXHRRDLKXIKU-HZPDHXFCSA-N 1 0 299.370 3.059 20 10 CGCDRO CCOc1ccc(C[NH2+][C@@H]2CCc3ccc(O)cc32)c(O)c1 ZINC000850385543 637041735 /nfs/dbraw/zinc/04/17/35/637041735.db2.gz AITOXAQMFQKVGC-QGZVFWFLSA-N 1 0 299.370 3.274 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCc3ccc(O)cc32)c1 ZINC000850385907 637043062 /nfs/dbraw/zinc/04/30/62/637043062.db2.gz COJSHXAWLMOKDH-KRWDZBQOSA-N 1 0 299.370 3.274 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCCC23CC3)cc1F ZINC000850431223 637058941 /nfs/dbraw/zinc/05/89/41/637058941.db2.gz UTERURGWRFFTND-HNNXBMFYSA-N 1 0 262.372 3.314 20 10 CGCDRO COC1CC(CC[NH2+][C@H](C)c2ccc(C)cc2O)C1 ZINC000850482216 637085755 /nfs/dbraw/zinc/08/57/55/637085755.db2.gz MTIKSNDDEXKSMF-IYXRBSQSSA-N 1 0 263.381 3.166 20 10 CGCDRO COC1CC(CC[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)C1 ZINC000850482320 637086008 /nfs/dbraw/zinc/08/60/08/637086008.db2.gz NMUGEJXLMYXGOK-DLOFLVKXSA-N 1 0 293.382 3.484 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCc2cnccc2C)c(O)c1 ZINC000850506699 637093928 /nfs/dbraw/zinc/09/39/28/637093928.db2.gz KIGVPVIPISSTNU-CQSZACIVSA-N 1 0 270.376 3.297 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+][C@H]1C[C@@H](O)c3ccccc31)CC2 ZINC000850527488 637106410 /nfs/dbraw/zinc/10/64/10/637106410.db2.gz XXADTCGHMDQIBQ-HLLBOEOZSA-N 1 0 281.355 3.148 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC[C@]2(C)CC2(F)F)c1 ZINC000850536683 637112659 /nfs/dbraw/zinc/11/26/59/637112659.db2.gz MHQZWCDAIWOAFM-QMTHXVAHSA-N 1 0 285.334 3.487 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1cnn(C)c1)c1ccccc1O ZINC000850539701 637113978 /nfs/dbraw/zinc/11/39/78/637113978.db2.gz FLNVXEMQRVZNSP-JLJPHGGASA-N 1 0 299.418 3.188 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1Cc1cnn(C)c1)c1ccccc1O ZINC000850539702 637114070 /nfs/dbraw/zinc/11/40/70/637114070.db2.gz FLNVXEMQRVZNSP-LXZKKBNFSA-N 1 0 299.418 3.188 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](CO)CC2CC2)c(O)c1 ZINC000850544491 637116003 /nfs/dbraw/zinc/11/60/03/637116003.db2.gz GSDQRHUAMPENFD-HIFRSBDPSA-N 1 0 277.408 3.068 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]C[C@H]2C(C)(C)C2(F)F)c1O ZINC000850552698 637118819 /nfs/dbraw/zinc/11/88/19/637118819.db2.gz PPVJHHACOLMAJT-SKDRFNHKSA-N 1 0 285.334 3.343 20 10 CGCDRO CCCN1CC[C@@H]([NH2+][C@H](C)c2ccc(Cl)cc2O)C1 ZINC000850554417 637120429 /nfs/dbraw/zinc/12/04/29/637120429.db2.gz JJEIGYMCCYREAI-DGCLKSJQSA-N 1 0 282.815 3.181 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1C[C@]1(C)OC)c1cc(Cl)ccc1O ZINC000850569869 637127938 /nfs/dbraw/zinc/12/79/38/637127938.db2.gz BWFHAHZHMLFEAE-YUTCNCBUSA-N 1 0 269.772 3.264 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@H](C)c2nccn2C)c(O)c1 ZINC000850572298 637129990 /nfs/dbraw/zinc/12/99/90/637129990.db2.gz JIPXZGZMICNGJE-QWHCGFSZSA-N 1 0 273.380 3.154 20 10 CGCDRO COc1cccc(C[NH2+][C@@H]2CCc3cccc(O)c32)c1C ZINC000850579759 637130986 /nfs/dbraw/zinc/13/09/86/637130986.db2.gz ZTGYBOQYFLTBDE-OAHLLOKOSA-N 1 0 283.371 3.486 20 10 CGCDRO CO[C@H]1CCC[C@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000885953791 637328797 /nfs/dbraw/zinc/32/87/97/637328797.db2.gz GEBQDHCPVQMEGD-GJZGRUSLSA-N 1 0 294.414 3.329 20 10 CGCDRO C[C@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1c([O-])cccc1F ZINC000886646331 637626847 /nfs/dbraw/zinc/62/68/47/637626847.db2.gz GAKSPPNFBCBEBQ-POZPTJLLSA-N 1 0 294.414 3.445 20 10 CGCDRO CC(=O)c1cc(F)cc(C[NH2+]C2(CC(C)C)CC2)c1O ZINC000852682941 637695437 /nfs/dbraw/zinc/69/54/37/637695437.db2.gz OZJAUBNLQFSKAX-UHFFFAOYSA-N 1 0 279.355 3.402 20 10 CGCDRO COC1CCN(c2ccc(C[N@H+](C)CCCF)cc2)CC1 ZINC000887142471 637759278 /nfs/dbraw/zinc/75/92/78/637759278.db2.gz LENQSHACUJKNPF-UHFFFAOYSA-N 1 0 294.414 3.093 20 10 CGCDRO CS[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccccc2O)C1 ZINC000300417537 637838671 /nfs/dbraw/zinc/83/86/71/637838671.db2.gz FGXDGVDOMQMMDH-GRYCIOLGSA-N 1 0 251.395 3.327 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@H+]2CC3(CCC3)OC[C@H]2C)c1 ZINC000853543064 637865201 /nfs/dbraw/zinc/86/52/01/637865201.db2.gz ZLGLOCHAPNOCTE-CQSZACIVSA-N 1 0 275.392 3.152 20 10 CGCDRO Oc1cc2c(cc1C[NH+]1CCC(c3ccon3)CC1)CCC2 ZINC000853594067 637871183 /nfs/dbraw/zinc/87/11/83/637871183.db2.gz SHXPGSSVRSODNJ-UHFFFAOYSA-N 1 0 298.386 3.249 20 10 CGCDRO Cc1cc(O)c(C[NH+]2CCC(c3ccon3)CC2)cc1C ZINC000853593182 637871975 /nfs/dbraw/zinc/87/19/75/637871975.db2.gz KJQBJDXGRIYNEM-UHFFFAOYSA-N 1 0 286.375 3.377 20 10 CGCDRO C[C@@H]([NH2+]CCCSc1nccs1)c1ccns1 ZINC000925104513 638454267 /nfs/dbraw/zinc/45/42/67/638454267.db2.gz ZYGFOSITUAFDLA-SECBINFHSA-N 1 0 285.463 3.433 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[N@@H+]2CCOc3ccc(N)cc3C2)c1 ZINC000925755750 638597870 /nfs/dbraw/zinc/59/78/70/638597870.db2.gz XNKFXRUNYKTBCV-CYBMUJFWSA-N 1 0 298.386 3.238 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2COc3cccc(C)c3C2)c1 ZINC000858215980 638657924 /nfs/dbraw/zinc/65/79/24/638657924.db2.gz RQIQUJMBNSNDDD-HNNXBMFYSA-N 1 0 283.371 3.102 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2cnc(Cl)c(C)c2)c1 ZINC000858238445 638661427 /nfs/dbraw/zinc/66/14/27/638661427.db2.gz ZQLWAZVJHJWTSG-UHFFFAOYSA-N 1 0 276.767 3.347 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CO[C@@H](C2CC2)C1)c1ccc(C)cc1O ZINC000858547361 638759601 /nfs/dbraw/zinc/75/96/01/638759601.db2.gz KOZKSRUTXYLHNX-UKPHBRMFSA-N 1 0 275.392 3.309 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2c3ccccc3CC[C@H]2O)c1 ZINC000927141614 638846967 /nfs/dbraw/zinc/84/69/67/638846967.db2.gz XWFNCQFBYSDKPP-ZNOIYHFQSA-N 1 0 297.398 3.400 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]C1([C@@H]3CCCCO3)CC1)CC2 ZINC000927161238 638849292 /nfs/dbraw/zinc/84/92/92/638849292.db2.gz WOOBYFPQKVMVQD-HIFRSBDPSA-N 1 0 273.376 3.071 20 10 CGCDRO C[N@@H+](Cc1ccccc1O)C[C@H]1CCCC2(CCC2)O1 ZINC000929975031 638965524 /nfs/dbraw/zinc/96/55/24/638965524.db2.gz CUDVEVKHUIKSGT-OAHLLOKOSA-N 1 0 275.392 3.316 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccnc(F)c1)c1ccccc1O ZINC000859232229 639116390 /nfs/dbraw/zinc/11/63/90/639116390.db2.gz IBXZPKNPONVWRH-ZDUSSCGKSA-N 1 0 260.312 3.167 20 10 CGCDRO CCO[C@@H](C[NH2+][C@@H](C)c1ccc(N(C)C)cc1)C1CC1 ZINC000859257432 639121208 /nfs/dbraw/zinc/12/12/08/639121208.db2.gz BDIDEDLJNLKHAS-GUYCJALGSA-N 1 0 276.424 3.218 20 10 CGCDRO Cc1cc(C[NH2+][C@@H](C)Cc2cccnc2)ccc1N(C)C ZINC000934229602 639563923 /nfs/dbraw/zinc/56/39/23/639563923.db2.gz JLTZVCLTBLUDOR-HNNXBMFYSA-N 1 0 283.419 3.177 20 10 CGCDRO C[C@H]1CCCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000187514295 639692468 /nfs/dbraw/zinc/69/24/68/639692468.db2.gz XXWJXHKKVKLQGP-INIZCTEOSA-N 1 0 288.435 3.145 20 10 CGCDRO CC[C@@H](C)N(C)CC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000160080223 640087515 /nfs/dbraw/zinc/08/75/15/640087515.db2.gz MTDMBUIJDIUAOR-CABCVRRESA-N 1 0 277.456 3.134 20 10 CGCDRO Cn1c(-c2ccccc2)cnc1SC[C@H]1CC[N@H+](C)C1 ZINC000187671607 640093541 /nfs/dbraw/zinc/09/35/41/640093541.db2.gz ISGFPNGSNAHNKQ-ZDUSSCGKSA-N 1 0 287.432 3.131 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCC(C)(C)O2)c1 ZINC000187857044 640101973 /nfs/dbraw/zinc/10/19/73/640101973.db2.gz UDBGGKMTFBINQN-QWHCGFSZSA-N 1 0 263.381 3.309 20 10 CGCDRO COc1cc(C[NH+]2CC(C)(C)OC(C)(C)C2)c(O)cc1C ZINC000190414827 640245938 /nfs/dbraw/zinc/24/59/38/640245938.db2.gz TUXQLCRCJMJOEN-UHFFFAOYSA-N 1 0 293.407 3.099 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCS[C@H](C)CC2)cc1C ZINC000191664384 640325928 /nfs/dbraw/zinc/32/59/28/640325928.db2.gz GYLGJZUJRLRSJK-CYBMUJFWSA-N 1 0 265.422 3.336 20 10 CGCDRO CC1(C)CCC([NH2+]Cc2cc3c(cc2O)OCO3)CC1 ZINC000079675647 640421725 /nfs/dbraw/zinc/42/17/25/640421725.db2.gz ZFKCPUZIXOEBPY-UHFFFAOYSA-N 1 0 277.364 3.179 20 10 CGCDRO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H]2C(C)C)c1O ZINC000088837865 640626665 /nfs/dbraw/zinc/62/66/65/640626665.db2.gz DYCDGPQVMRWZMO-HNNXBMFYSA-N 1 0 279.355 3.354 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CCC[C@H](C)[C@H]2C)c1O ZINC000245948695 640650332 /nfs/dbraw/zinc/65/03/32/640650332.db2.gz SFMRASGONVPLPZ-QWHCGFSZSA-N 1 0 263.381 3.411 20 10 CGCDRO CC[C@H](C)N(C)CC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000247019156 640707043 /nfs/dbraw/zinc/70/70/43/640707043.db2.gz MTDMBUIJDIUAOR-LSDHHAIUSA-N 1 0 277.456 3.134 20 10 CGCDRO Cc1ccc(C[N@@H+](C)Cc2ccccc2O)cc1F ZINC000091974670 640728498 /nfs/dbraw/zinc/72/84/98/640728498.db2.gz LFXWIUXJFZZUGF-UHFFFAOYSA-N 1 0 259.324 3.472 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)C(C2CC2)C2CC2)cc1 ZINC000092703941 640743368 /nfs/dbraw/zinc/74/33/68/640743368.db2.gz MIWLVKCXLATZGD-UHFFFAOYSA-N 1 0 258.409 3.373 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cc(F)ccc1O ZINC000094618032 640799937 /nfs/dbraw/zinc/79/99/37/640799937.db2.gz XDTHTONUEIWUDF-SNVBAGLBSA-N 1 0 290.294 3.290 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H]1CCC[C@@H](O)C1)c1ccc(N(C)C)cc1 ZINC000305145381 640883490 /nfs/dbraw/zinc/88/34/90/640883490.db2.gz NHNMYDQRLQBIPG-OLMNPRSZSA-N 1 0 290.451 3.344 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H](CO)c2ccc(Cl)cc2)c1O ZINC000305767020 640904696 /nfs/dbraw/zinc/90/46/96/640904696.db2.gz FOBIQEHNQSQFED-HNNXBMFYSA-N 1 0 291.778 3.177 20 10 CGCDRO CNc1ccc(Nc2ccc3c(c2)CC[NH2+]C3)cc1 ZINC001159828663 806181766 /nfs/dbraw/zinc/18/17/66/806181766.db2.gz HTYLTJQNTODOQF-UHFFFAOYSA-N 1 0 253.349 3.118 20 10 CGCDRO [NH3+][C@H]1Cc2ccc(Nc3ccc4c(c3)CCCN4)cc2C1 ZINC001159832212 806182729 /nfs/dbraw/zinc/18/27/29/806182729.db2.gz FYADENLKMCAHSC-HNNXBMFYSA-N 1 0 279.387 3.214 20 10 CGCDRO [NH3+]Cc1cnccc1Nc1cc(C2CCCCC2)ccc1O ZINC001160256875 806244275 /nfs/dbraw/zinc/24/42/75/806244275.db2.gz PNMCTVLXVLGNQQ-UHFFFAOYSA-N 1 0 297.402 3.459 20 10 CGCDRO CC(C)(C)[C@@H](O)C[NH2+]Cc1cc2ccccc2cc1O ZINC001253746607 806295307 /nfs/dbraw/zinc/29/53/07/806295307.db2.gz NPDOLVPLBKMKRT-INIZCTEOSA-N 1 0 273.376 3.042 20 10 CGCDRO COc1ccc(C[C@@H](C)[N@H+](C)Cc2ccccc2O)cc1 ZINC001254046104 806333754 /nfs/dbraw/zinc/33/37/54/806333754.db2.gz HKKVOJVDCQFSFX-CQSZACIVSA-N 1 0 285.387 3.464 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)CN1CCCCC1)c1ccccc1O ZINC000037153611 798860427 /nfs/dbraw/zinc/86/04/27/798860427.db2.gz LVIOQOCWILTYHZ-ZBFHGGJFSA-N 1 0 276.424 3.307 20 10 CGCDRO CO[C@@H](CN1CCCc2cc(C[NH3+])ccc21)c1ccccc1 ZINC000379121013 799348098 /nfs/dbraw/zinc/34/80/98/799348098.db2.gz LWTMHIHEHFLNRS-IBGZPJMESA-N 1 0 296.414 3.286 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@H](OC)C(C)C)cc1 ZINC000381641559 799384868 /nfs/dbraw/zinc/38/48/68/799384868.db2.gz MUXGKTCNULSJCA-KRWDZBQOSA-N 1 0 278.440 3.293 20 10 CGCDRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000384314622 799415332 /nfs/dbraw/zinc/41/53/32/799415332.db2.gz RVNPQZGFRNDZOB-MEBBXXQBSA-N 1 0 279.355 3.354 20 10 CGCDRO C[C@H]([NH2+][C@H](CO)C1CCCCC1)c1cc(F)ccc1O ZINC000386038831 799430463 /nfs/dbraw/zinc/43/04/63/799430463.db2.gz AJDJPZVSSSNTQP-XHDPSFHLSA-N 1 0 281.371 3.123 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]C[C@@H]1CCCC1(F)F)CC2 ZINC000390855365 799475561 /nfs/dbraw/zinc/47/55/61/799475561.db2.gz JIGWAXBXBBRTDE-NWDGAFQWSA-N 1 0 267.319 3.405 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccnc(C)c2)c1 ZINC000391176195 799476959 /nfs/dbraw/zinc/47/69/59/799476959.db2.gz STGHSSDLYPBUOH-ZDUSSCGKSA-N 1 0 256.349 3.255 20 10 CGCDRO Cc1ncsc1CC[NH2+]Cc1cc(Cl)ccc1O ZINC000391245771 799478330 /nfs/dbraw/zinc/47/83/30/799478330.db2.gz YDWULMBANGEJFD-UHFFFAOYSA-N 1 0 282.796 3.143 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)C(C)(C)O)c(O)c1 ZINC000393605001 799488694 /nfs/dbraw/zinc/48/86/94/799488694.db2.gz YEFDTOIQRPXKQU-GFCCVEGCSA-N 1 0 265.397 3.148 20 10 CGCDRO CC(C)[C@@H](CO)C[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000394095777 799494407 /nfs/dbraw/zinc/49/44/07/799494407.db2.gz QSUYPKXLDOGIMH-UKRRQHHQSA-N 1 0 287.403 3.461 20 10 CGCDRO COc1cccc(C[NH2+]C(C)(C)C(C)(C)C)c1O ZINC000394107901 799494584 /nfs/dbraw/zinc/49/45/84/799494584.db2.gz FFXVNUQRYBQVFQ-UHFFFAOYSA-N 1 0 251.370 3.315 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2COC(C)(C)C2)cc1 ZINC000396538909 799509104 /nfs/dbraw/zinc/50/91/04/799509104.db2.gz KJPOLRJPHVYBSZ-HNNXBMFYSA-N 1 0 276.424 3.190 20 10 CGCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](C3CC3)C2)c1O ZINC000400063237 799543194 /nfs/dbraw/zinc/54/31/94/799543194.db2.gz BTUKKJAXIVPQHN-LBPRGKRZSA-N 1 0 293.794 3.480 20 10 CGCDRO C[C@@H]([NH2+]CCC[C@H]1CCOC1)c1ccc(N(C)C)cc1 ZINC000402250812 799561186 /nfs/dbraw/zinc/56/11/86/799561186.db2.gz ABQPBHWHDZITAQ-CABCVRRESA-N 1 0 276.424 3.220 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H]1C)c1ccccc1O ZINC000686510286 799734821 /nfs/dbraw/zinc/73/48/21/799734821.db2.gz AKUSOYARYZYINV-CXTNEJHOSA-N 1 0 263.381 3.246 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1COC2(CCC2)C1)c1ccccc1O ZINC000688280973 799745749 /nfs/dbraw/zinc/74/57/49/799745749.db2.gz BFYWKDTZTVPQTB-GXTWGEPZSA-N 1 0 261.365 3.145 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2COC3(CCC3)C2)c1 ZINC000688283050 799745768 /nfs/dbraw/zinc/74/57/68/799745768.db2.gz NDEASNFEHJRDKS-OLZOCXBDSA-N 1 0 261.365 3.063 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@H]2CCC[C@@H](C)O2)c1O ZINC000688885249 799758337 /nfs/dbraw/zinc/75/83/37/799758337.db2.gz SXCLTNISNOOJJT-IUODEOHRSA-N 1 0 263.381 3.002 20 10 CGCDRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(N(C)C)cc2)CS1 ZINC000689480732 799764274 /nfs/dbraw/zinc/76/42/74/799764274.db2.gz DXZKBUIEWQVCJW-OCCSQVGLSA-N 1 0 264.438 3.126 20 10 CGCDRO C[C@H]1CC[C@H]([NH2+]Cc2ccc(Br)cc2O)C1 ZINC000691425235 799783574 /nfs/dbraw/zinc/78/35/74/799783574.db2.gz DFYSRRPJEMTOFW-CABZTGNLSA-N 1 0 284.197 3.433 20 10 CGCDRO CCc1cccc(C[NH2+]CCc2csc(C)n2)c1O ZINC000691445959 799784362 /nfs/dbraw/zinc/78/43/62/799784362.db2.gz MNVKUSPSIFQOEC-UHFFFAOYSA-N 1 0 276.405 3.052 20 10 CGCDRO CO[C@@H](C[NH2+][C@H](C)c1ccc(N(C)C)cc1)C1CCC1 ZINC000692868275 799801628 /nfs/dbraw/zinc/80/16/28/799801628.db2.gz NZYYQCYKFWCBLU-DYVFJYSZSA-N 1 0 276.424 3.218 20 10 CGCDRO CO[C@@H](C[NH2+][C@H](C)c1ccccc1O)C1CCCC1 ZINC000692933535 799804962 /nfs/dbraw/zinc/80/49/62/799804962.db2.gz JJAFCENZTYFFPQ-WBMJQRKESA-N 1 0 263.381 3.248 20 10 CGCDRO C[C@@H](Cc1ccccn1)[NH2+][C@@H](C)c1ccccc1O ZINC000694036505 799820561 /nfs/dbraw/zinc/82/05/61/799820561.db2.gz AIQVUFRDOWGEEO-STQMWFEESA-N 1 0 256.349 3.069 20 10 CGCDRO FC1(F)CCC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000695119928 799827288 /nfs/dbraw/zinc/82/72/88/799827288.db2.gz OQWFOVJYEIZCFY-ZDUSSCGKSA-N 1 0 267.319 3.289 20 10 CGCDRO COc1cccc(C[NH2+][C@H]2CCCC[C@H]2C2CC2)c1O ZINC000695889624 799836445 /nfs/dbraw/zinc/83/64/45/799836445.db2.gz FPFVZFUJHSNPMU-GJZGRUSLSA-N 1 0 275.392 3.459 20 10 CGCDRO FC(F)(F)CSCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000698952986 799857497 /nfs/dbraw/zinc/85/74/97/799857497.db2.gz OGIGBXIPBTUYAP-UHFFFAOYSA-N 1 0 291.338 3.007 20 10 CGCDRO C[C@H]([NH2+]CC[C@H]1CC1(F)F)c1ccc(N(C)C)cc1 ZINC000701950192 799899842 /nfs/dbraw/zinc/89/98/42/799899842.db2.gz HSXAZYHOZCAXRB-AAEUAGOBSA-N 1 0 268.351 3.449 20 10 CGCDRO CCc1cccc(C[NH2+]CC[C@H]2CCSC2)c1O ZINC000704794733 799941631 /nfs/dbraw/zinc/94/16/31/799941631.db2.gz CDNFPNYTBVTKPP-LBPRGKRZSA-N 1 0 265.422 3.187 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC[C@H]2CCSC2)c1 ZINC000704814631 799943035 /nfs/dbraw/zinc/94/30/35/799943035.db2.gz WRYNCUOFCYZHSJ-NEPJUHHUSA-N 1 0 281.421 3.195 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CCCC23CC3)c1 ZINC000706213589 799959715 /nfs/dbraw/zinc/95/97/15/799959715.db2.gz FVZLFJKZZPCELK-ZDUSSCGKSA-N 1 0 261.365 3.071 20 10 CGCDRO C[C@@H]1CC[C@@H]([NH2+]Cc2c(O)cccc2Br)C1 ZINC000706853874 799967146 /nfs/dbraw/zinc/96/71/46/799967146.db2.gz GWTSTXHZQSWLHJ-NXEZZACHSA-N 1 0 284.197 3.433 20 10 CGCDRO C[C@H]1CCC[N@@H+]1Cc1c(O)cccc1Br ZINC000707171902 799975398 /nfs/dbraw/zinc/97/53/98/799975398.db2.gz OCEGQHSRQFFILR-VIFPVBQESA-N 1 0 270.170 3.139 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@](C)(C(F)(F)F)C2)c1 ZINC000708603382 799992028 /nfs/dbraw/zinc/99/20/28/799992028.db2.gz YZGMASPXRRZNMI-CYBMUJFWSA-N 1 0 273.298 3.475 20 10 CGCDRO COCC1(C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3C)CC1 ZINC000709517622 800008966 /nfs/dbraw/zinc/00/89/66/800008966.db2.gz UZSXKOFYIREBMK-QWHCGFSZSA-N 1 0 275.392 3.265 20 10 CGCDRO Cc1cccc(C[NH2+]C[C@@H]2CCN2Cc2ccccc2)c1O ZINC000716226650 800166268 /nfs/dbraw/zinc/16/62/68/800166268.db2.gz GISIHYAAMJRROT-SFHVURJKSA-N 1 0 296.414 3.065 20 10 CGCDRO CO[C@@H]1CCC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000718286274 800214833 /nfs/dbraw/zinc/21/48/33/800214833.db2.gz PIHXIPVBBRKKBA-HZPDHXFCSA-N 1 0 275.392 3.059 20 10 CGCDRO COCC(C)(C)CC[NH2+][C@@H](C)c1ccccc1O ZINC000718695153 800219847 /nfs/dbraw/zinc/21/98/47/800219847.db2.gz NORZWPXFYOGHGM-LBPRGKRZSA-N 1 0 251.370 3.106 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@H]2CC[C@H](C3CC3)O2)c1O ZINC000722321383 800312738 /nfs/dbraw/zinc/31/27/38/800312738.db2.gz RLUSSQBFIROIEP-HZPDHXFCSA-N 1 0 275.392 3.002 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000723650697 800335028 /nfs/dbraw/zinc/33/50/28/800335028.db2.gz NEMVEMGLJWSBGN-YWPYICTPSA-N 1 0 295.810 3.340 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+][C@@H](C1CC1)[C@@H]1CCCOC1 ZINC000723996866 800350038 /nfs/dbraw/zinc/35/00/38/800350038.db2.gz PYPVGNLRAABGLX-WBMJQRKESA-N 1 0 295.810 3.340 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000724640560 800364624 /nfs/dbraw/zinc/36/46/24/800364624.db2.gz USFVGJUQECMSND-XQHKEYJVSA-N 1 0 279.380 3.007 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@H](C(C)C)C2CC2)c1O ZINC000895331977 800582051 /nfs/dbraw/zinc/58/20/51/800582051.db2.gz DFCRUYBWFNIJFE-OAHLLOKOSA-N 1 0 263.381 3.233 20 10 CGCDRO Cc1cc(C)c(C[NH2+][C@H](C)Cc2ccccn2)c(O)c1 ZINC001256406990 806885610 /nfs/dbraw/zinc/88/56/10/806885610.db2.gz XYCBPQVGGPUZMY-CQSZACIVSA-N 1 0 270.376 3.125 20 10 CGCDRO Cc1c[nH+]c2ccccc2c1NCCc1ccc(O)c(O)c1 ZINC001117648008 802474740 /nfs/dbraw/zinc/47/47/40/802474740.db2.gz TWDSRYSVBSDNMU-UHFFFAOYSA-N 1 0 294.354 3.031 20 10 CGCDRO CC[C@H]([NH2+]CCCC[NH3+])c1cc(Cl)cc(Cl)c1[O-] ZINC001118121207 802527441 /nfs/dbraw/zinc/52/74/41/802527441.db2.gz BOVRERVUHGOGOW-LBPRGKRZSA-N 1 0 291.222 3.479 20 10 CGCDRO CC[C@H](C)C[C@H](CO)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001118264710 802543048 /nfs/dbraw/zinc/54/30/48/802543048.db2.gz LZGGEWJKIUVQKQ-DOTOQJQBSA-N 1 0 290.451 3.174 20 10 CGCDRO CCCCC[N@H+](CCO)Cc1cc(Cl)c(C)cc1O ZINC001180546389 810009943 /nfs/dbraw/zinc/00/99/43/810009943.db2.gz IVIGECXRQILCET-UHFFFAOYSA-N 1 0 285.815 3.339 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccc3[nH]cnc3c2)cc1 ZINC001137048801 803676205 /nfs/dbraw/zinc/67/62/05/803676205.db2.gz JHBJHOCZMGQZSV-UHFFFAOYSA-N 1 0 294.402 3.261 20 10 CGCDRO Cc1c(C[N@H+](C)CC2CCOCC2)c2ccccc2n1C ZINC001138252442 803880499 /nfs/dbraw/zinc/88/04/99/803880499.db2.gz HKRQFRVVVBOTOL-UHFFFAOYSA-N 1 0 286.419 3.345 20 10 CGCDRO CC(C)C[N@H+](C)Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138336361 803899731 /nfs/dbraw/zinc/89/97/31/803899731.db2.gz QWNSNSFXGQXPHQ-UHFFFAOYSA-N 1 0 288.435 3.179 20 10 CGCDRO CC[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCCN3C)C1 ZINC001138359309 803902772 /nfs/dbraw/zinc/90/27/72/803902772.db2.gz QVGFGRIJFDGRNE-CQSZACIVSA-N 1 0 258.409 3.301 20 10 CGCDRO Oc1cccc2c1C[N@H+](Cc1ccc3cccnc3c1)CC2 ZINC001139171572 804150396 /nfs/dbraw/zinc/15/03/96/804150396.db2.gz YIENMRDLHYMZBF-UHFFFAOYSA-N 1 0 290.366 3.499 20 10 CGCDRO C[N@H+](Cc1cc(Cl)ccn1)Cc1ccccc1O ZINC001139566150 804211016 /nfs/dbraw/zinc/21/10/16/804211016.db2.gz RDEIAJSJYPNDKW-UHFFFAOYSA-N 1 0 262.740 3.073 20 10 CGCDRO Cc1cc(C[N@@H+]2CCC[C@](C)(F)C2)ccc1N(C)C ZINC001139669605 804246667 /nfs/dbraw/zinc/24/66/67/804246667.db2.gz DCZIKYJQGDVINR-INIZCTEOSA-N 1 0 264.388 3.385 20 10 CGCDRO Cc1cc(C[N@@H+]2CCc3c(O)cccc3C2)ccc1N(C)C ZINC001139669796 804247028 /nfs/dbraw/zinc/24/70/28/804247028.db2.gz OJINCFLAANSDDQ-UHFFFAOYSA-N 1 0 296.414 3.325 20 10 CGCDRO CC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC001139673919 804247335 /nfs/dbraw/zinc/24/73/35/804247335.db2.gz NGLDNDSXWHVZFJ-KRWDZBQOSA-N 1 0 274.408 3.005 20 10 CGCDRO Cc1cc(C[N@@H+]2CCCC[C@@H](F)C2)ccc1N(C)C ZINC001139669679 804247749 /nfs/dbraw/zinc/24/77/49/804247749.db2.gz GVHJYZCABUAVEY-OAHLLOKOSA-N 1 0 264.388 3.385 20 10 CGCDRO Cc1ccc(C)c(C[NH+]2CCC3(C[C@@H](F)CO3)CC2)c1O ZINC001140184074 804396093 /nfs/dbraw/zinc/39/60/93/804396093.db2.gz LWHDWJQBTZXBST-CQSZACIVSA-N 1 0 293.382 3.102 20 10 CGCDRO CC[N@H+](CCN1CCCCC1)Cc1c(C)ccc(C)c1O ZINC001140184051 804396480 /nfs/dbraw/zinc/39/64/80/804396480.db2.gz KXQQWOHRZLAIQT-UHFFFAOYSA-N 1 0 290.451 3.317 20 10 CGCDRO CO[C@H]1CC[N@H+](Cc2c(C)ccc(C)c2O)[C@H](C)C1 ZINC001140184674 804399197 /nfs/dbraw/zinc/39/91/97/804399197.db2.gz DPZIOOBSGZKELS-KGLIPLIRSA-N 1 0 263.381 3.008 20 10 CGCDRO Oc1cccc(Cl)c1C[N@H+]1C[C@H]2[C@H](CC2(F)F)C1 ZINC001140337847 804417889 /nfs/dbraw/zinc/41/78/89/804417889.db2.gz JJMRBJZFQREFES-SCZZXKLOSA-N 1 0 273.710 3.133 20 10 CGCDRO C[C@]1(F)CCN(Cc2ccc(Cl)cc2O)C[C@H]1F ZINC001140462520 804441612 /nfs/dbraw/zinc/44/16/12/804441612.db2.gz IBMHYWRAPUNXTJ-OLZOCXBDSA-N 1 0 275.726 3.318 20 10 CGCDRO Oc1cc(Cl)ccc1C[N@@H+]1CC[C@@H]2CCCO[C@H]2C1 ZINC001140463081 804442317 /nfs/dbraw/zinc/44/23/17/804442317.db2.gz RWHSMNPTVDSVSP-NHYWBVRUSA-N 1 0 281.783 3.047 20 10 CGCDRO CCO[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140467580 804444294 /nfs/dbraw/zinc/44/42/94/804444294.db2.gz YIAHGQSVGBCAJC-ZDUSSCGKSA-N 1 0 269.772 3.047 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCCC(F)(F)[C@H](F)C2)c1 ZINC001140619773 804476178 /nfs/dbraw/zinc/47/61/78/804476178.db2.gz OBPMCLOJAFOGCI-CYBMUJFWSA-N 1 0 273.298 3.270 20 10 CGCDRO Cc1ccc(O)c(C[NH+]2CCC(Oc3ccccn3)CC2)c1 ZINC001140620887 804476488 /nfs/dbraw/zinc/47/64/88/804476488.db2.gz FERHMLGTCSPPLG-UHFFFAOYSA-N 1 0 298.386 3.139 20 10 CGCDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@@H]2c2ccncc2)c1O ZINC001140745334 804502817 /nfs/dbraw/zinc/50/28/17/804502817.db2.gz GCIBUGUMBGCVEG-OAHLLOKOSA-N 1 0 284.359 3.138 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H](F)C[C@H]2C)c(O)c1 ZINC001140850319 804533095 /nfs/dbraw/zinc/53/30/95/804533095.db2.gz IUZYHAHAFHVCRX-OCCSQVGLSA-N 1 0 280.387 3.171 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)CCSC)c(O)c1 ZINC001140857357 804535428 /nfs/dbraw/zinc/53/54/28/804535428.db2.gz PHCMHXJAPVKTIJ-UHFFFAOYSA-N 1 0 282.453 3.033 20 10 CGCDRO C[C@@H]1CN(Cc2ccc(N(C)C)cc2Cl)C[C@@H]1F ZINC001140921605 804548982 /nfs/dbraw/zinc/54/89/82/804548982.db2.gz JZVMJFJEPAUVRM-YGRLFVJLSA-N 1 0 270.779 3.196 20 10 CGCDRO COc1ccc2c(c1)C[N@@H+](Cc1ccc(C)cc1O)CC2 ZINC001140948160 804555568 /nfs/dbraw/zinc/55/55/68/804555568.db2.gz WAERQKIIBZCBKB-UHFFFAOYSA-N 1 0 283.371 3.268 20 10 CGCDRO COc1cccc2c1C[N@H+](Cc1ccc(C)cc1O)CC2 ZINC001140947909 804555799 /nfs/dbraw/zinc/55/57/99/804555799.db2.gz KUAVGQPULOKECI-UHFFFAOYSA-N 1 0 283.371 3.268 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCC[C@H](Oc3ccncc3)C2)c(O)c1 ZINC001140953550 804558593 /nfs/dbraw/zinc/55/85/93/804558593.db2.gz BFRHLJMILXQJOP-KRWDZBQOSA-N 1 0 298.386 3.139 20 10 CGCDRO CC[N@H+](Cc1ccccc1O)[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246860481 804566280 /nfs/dbraw/zinc/56/62/80/804566280.db2.gz IERTWQROUUAUMX-DOTOQJQBSA-N 1 0 290.451 3.381 20 10 CGCDRO COc1cc(O)c(C[N@H+](C)Cc2ccsc2)c(OC)c1 ZINC001141028235 804574699 /nfs/dbraw/zinc/57/46/99/804574699.db2.gz GWDWUZHVRWPOLR-UHFFFAOYSA-N 1 0 293.388 3.103 20 10 CGCDRO COc1cc(O)c(C[NH+]2C3CCCC2CCC3)c(OC)c1 ZINC001141030601 804575188 /nfs/dbraw/zinc/57/51/88/804575188.db2.gz CZOHQLLLYYDKSP-UHFFFAOYSA-N 1 0 291.391 3.316 20 10 CGCDRO C[C@H]1CCCCC[N@@H+]1Cc1ccc2c(c1)OCCN2C ZINC001141143066 804597050 /nfs/dbraw/zinc/59/70/50/804597050.db2.gz LZZPBPQVJMICJL-AWEZNQCLSA-N 1 0 274.408 3.280 20 10 CGCDRO Cc1ccccc1C[N@@H+](C)Cc1cc(O)ccc1O ZINC001141158674 804599632 /nfs/dbraw/zinc/59/96/32/804599632.db2.gz JFMXVIIYKYVGRU-UHFFFAOYSA-N 1 0 257.333 3.038 20 10 CGCDRO Oc1ccc(O)c(C[NH+]2CCC(Oc3ccccc3)CC2)c1 ZINC001141156591 804599830 /nfs/dbraw/zinc/59/98/30/804599830.db2.gz OCHURWAHIDEOHU-UHFFFAOYSA-N 1 0 299.370 3.141 20 10 CGCDRO C[N@H+](CCc1ccccc1Cl)Cc1cc(O)ccc1O ZINC001141159388 804600511 /nfs/dbraw/zinc/60/05/11/804600511.db2.gz FVWWFAQBRZPLLJ-UHFFFAOYSA-N 1 0 291.778 3.426 20 10 CGCDRO CC(C)[C@H]1CCC[N@@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001142527465 804733942 /nfs/dbraw/zinc/73/39/42/804733942.db2.gz VUTDRDKZPIVVAL-CYBMUJFWSA-N 1 0 255.308 3.291 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2cccc(C(C)(C)C)c2O)C[C@]1(C)O ZINC001143104192 804801610 /nfs/dbraw/zinc/80/16/10/804801610.db2.gz QKPWMBWDGASJMK-ACJLOTCBSA-N 1 0 291.435 3.283 20 10 CGCDRO CC(C)(C)c1cccc(C[N@@H+]2CCC[C@@]3(CCO3)C2)c1O ZINC001143112057 804804229 /nfs/dbraw/zinc/80/42/29/804804229.db2.gz JDJVIRDXRWEVBV-GOSISDBHSA-N 1 0 289.419 3.445 20 10 CGCDRO Cc1ccc(C[N@@H+](C)Cc2c(O)cc(O)cc2O)cc1C ZINC001144515900 804997483 /nfs/dbraw/zinc/99/74/83/804997483.db2.gz INAAPXPMFSLNPL-UHFFFAOYSA-N 1 0 287.359 3.052 20 10 CGCDRO C[N@@H+](Cc1cc(Cl)c(C(C)(C)C)cc1O)CC1COC1 ZINC001248883629 805033049 /nfs/dbraw/zinc/03/30/49/805033049.db2.gz MMJLGZUTBIWXGO-UHFFFAOYSA-N 1 0 297.826 3.421 20 10 CGCDRO CCN(Cc1ccccc1O)c1cc(N2CCCC2)cc[nH+]1 ZINC001154889396 805504706 /nfs/dbraw/zinc/50/47/06/805504706.db2.gz YPLIGFQKNHSCIM-UHFFFAOYSA-N 1 0 297.402 3.414 20 10 CGCDRO CC[N@H+](Cc1ccccc1O)[C@H]1Cc2ccc(OC)cc2C1 ZINC001168284826 807373015 /nfs/dbraw/zinc/37/30/15/807373015.db2.gz WKTBTAGIDJLFPI-KRWDZBQOSA-N 1 0 297.398 3.390 20 10 CGCDRO C[C@@H](CC1CC1)[NH2+]C1CCN(Cc2ccccc2O)CC1 ZINC001258455319 807460502 /nfs/dbraw/zinc/46/05/02/807460502.db2.gz YNSYJCYYDXPHBY-AWEZNQCLSA-N 1 0 288.435 3.135 20 10 CGCDRO CC[N@H+](Cc1ccccc1O)[C@H](C)Cc1cccnc1 ZINC001258635283 807520043 /nfs/dbraw/zinc/52/00/43/807520043.db2.gz YSIQDYOWICYOER-CQSZACIVSA-N 1 0 270.376 3.240 20 10 CGCDRO C[N@@H+]1CC[C@@H](c2ccc(NCc3ccc(O)c(O)c3)cc2)C1 ZINC001169996611 807736111 /nfs/dbraw/zinc/73/61/11/807736111.db2.gz CUEGIWPDLKCRTG-OAHLLOKOSA-N 1 0 298.386 3.129 20 10 CGCDRO C[C@H]1CC[C@H]([NH2+]C2CCN(Cc3ccccc3O)CC2)C1 ZINC001170113558 807761576 /nfs/dbraw/zinc/76/15/76/807761576.db2.gz RFMZIGVCAQWPRO-YOEHRIQHSA-N 1 0 288.435 3.135 20 10 CGCDRO COc1cc[nH+]c(NCc2cc(F)c(N(C)C)cc2F)c1 ZINC001261788053 807787662 /nfs/dbraw/zinc/78/76/62/807787662.db2.gz KJGRRTODAIEXQV-UHFFFAOYSA-N 1 0 293.317 3.047 20 10 CGCDRO CCOCC[C@@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC001172418864 808302257 /nfs/dbraw/zinc/30/22/57/808302257.db2.gz HGUKPQNRMLLFOH-KGLIPLIRSA-N 1 0 264.413 3.218 20 10 CGCDRO CCC[N@H+](C)CC(C)(C)NCc1ccc(OC)c(C)c1 ZINC001174818279 809169551 /nfs/dbraw/zinc/16/95/51/809169551.db2.gz ARZGPMBZILFOQN-UHFFFAOYSA-N 1 0 278.440 3.214 20 10 CGCDRO Cc1cc(O)c(C[N@H+](CCO)CC(C)(C)C)c(Cl)c1 ZINC001180007209 809967587 /nfs/dbraw/zinc/96/75/87/809967587.db2.gz RNHVDQMYMQJNQV-UHFFFAOYSA-N 1 0 285.815 3.194 20 10 CGCDRO CN(Cc1ccco1)Cc1c(O)cccc1Br ZINC001180359378 809995599 /nfs/dbraw/zinc/99/55/99/809995599.db2.gz JYHNZNREFYUOLB-UHFFFAOYSA-N 1 0 296.164 3.380 20 10 CGCDRO Cc1ccc(C[NH2+][C@H]2C[C@]2(F)c2ccccc2)c(O)c1 ZINC001182497697 810112871 /nfs/dbraw/zinc/11/28/71/810112871.db2.gz ALENDTAIWJUYJA-IRXDYDNUSA-N 1 0 271.335 3.428 20 10 CGCDRO CC[C@H](COCC1CC1)[NH2+]Cc1c(C)cc(OC)cc1O ZINC001182854236 810127788 /nfs/dbraw/zinc/12/77/88/810127788.db2.gz HMIPBUUMAGQZHB-CQSZACIVSA-N 1 0 293.407 3.004 20 10 CGCDRO COc1cccc(C[N@@H+]2CCC[C@H](C)[C@H](C)C2)c1O ZINC001203586103 812401479 /nfs/dbraw/zinc/40/14/79/812401479.db2.gz YLXWDSGRWNNSAI-QWHCGFSZSA-N 1 0 263.381 3.269 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CC[C@H](c3ccncc3)C2)c1O ZINC001203609392 812405017 /nfs/dbraw/zinc/40/50/17/812405017.db2.gz QQJJSOQNUWKKEF-HNNXBMFYSA-N 1 0 298.386 3.175 20 10 CGCDRO COc1cccc(C[N@@H+]2CCC[C@H]2c2ccc(C)nc2)c1O ZINC001203599879 812405426 /nfs/dbraw/zinc/40/54/26/812405426.db2.gz MKYWTWFWCWLYLD-INIZCTEOSA-N 1 0 298.386 3.441 20 10 CGCDRO COc1cccc(C[NH+]2CC3CCC(CC3)C2)c1O ZINC001203600240 812405745 /nfs/dbraw/zinc/40/57/45/812405745.db2.gz YQWNGYRCNZQRFH-UHFFFAOYSA-N 1 0 261.365 3.023 20 10 CGCDRO COc1ccc(C[N@@H+]2CCC23CCCCC3)c(O)c1 ZINC001203621526 812409172 /nfs/dbraw/zinc/40/91/72/812409172.db2.gz WVPVSPRVHBGLBN-UHFFFAOYSA-N 1 0 261.365 3.309 20 10 CGCDRO COc1ccc(C[N@@H+]2CC[C@@H](Oc3ccccc3)C2)c(O)c1 ZINC001203629948 812412677 /nfs/dbraw/zinc/41/26/77/812412677.db2.gz OEVTUGJOTKKNMU-QGZVFWFLSA-N 1 0 299.370 3.054 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@H]2CCCO[C@H]2C1 ZINC001203651757 812414772 /nfs/dbraw/zinc/41/47/72/812414772.db2.gz UATVJYVAXSAOOP-ABAIWWIYSA-N 1 0 281.783 3.047 20 10 CGCDRO Oc1ccc(C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)cc1O ZINC001203880458 812478058 /nfs/dbraw/zinc/47/80/58/812478058.db2.gz SIHRUEROPIOMSU-CQSZACIVSA-N 1 0 287.334 3.226 20 10 CGCDRO Oc1ccc(C[N@@H+]2CC[C@H](c3ccccc3)C2)cc1O ZINC001203874723 812478514 /nfs/dbraw/zinc/47/85/14/812478514.db2.gz CDOYFAUEPHURKZ-HNNXBMFYSA-N 1 0 269.344 3.087 20 10 CGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@@]2(C)CCCCO2)cc1F ZINC001203889758 812481503 /nfs/dbraw/zinc/48/15/03/812481503.db2.gz NSIVXWOZLGDONN-MRXNPFEDSA-N 1 0 298.377 3.080 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](F)CC2)cc1 ZINC001203930552 812494182 /nfs/dbraw/zinc/49/41/82/812494182.db2.gz YKSHYMGULIVWFG-AWEZNQCLSA-N 1 0 250.361 3.077 20 10 CGCDRO Cc1cnc2c(c1)C[N@H+](Cc1ccc(N(C)C)cc1)CC2 ZINC001203937161 812498059 /nfs/dbraw/zinc/49/80/59/812498059.db2.gz OBENEILNDVCXFO-UHFFFAOYSA-N 1 0 281.403 3.014 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@@H](O)C2)c2ccccc21 ZINC001204232773 812580381 /nfs/dbraw/zinc/58/03/81/812580381.db2.gz JGWYDYHJMANFEX-MRXNPFEDSA-N 1 0 298.430 3.253 20 10 CGCDRO Cc1ccccc1C[N@@H+](C)Cc1ccc(O)cc1O ZINC001204275060 812594611 /nfs/dbraw/zinc/59/46/11/812594611.db2.gz MZRUMDZBOCTJKS-UHFFFAOYSA-N 1 0 257.333 3.038 20 10 CGCDRO C[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(O)cc1O ZINC001204281057 812596420 /nfs/dbraw/zinc/59/64/20/812596420.db2.gz OVEWWVGWWPXDJL-GFCCVEGCSA-N 1 0 269.344 3.045 20 10 CGCDRO CO[C@@H]1CCC[N@H+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204320791 812611852 /nfs/dbraw/zinc/61/18/52/812611852.db2.gz AQSRXRHTXSXHIZ-GOSISDBHSA-N 1 0 288.435 3.288 20 10 CGCDRO O=C1CCC[C@@H]2C[N@H+](Cc3ccc(N4CCCC4)cc3)C[C@@H]12 ZINC001204329336 812614535 /nfs/dbraw/zinc/61/45/35/812614535.db2.gz MQRTVHZDHJLQGV-SJLPKXTDSA-N 1 0 298.430 3.088 20 10 CGCDRO Oc1cccc2c1C[N@H+](Cc1ccc3ccccc3n1)CC2 ZINC001204505512 812659543 /nfs/dbraw/zinc/65/95/43/812659543.db2.gz JEJNEKAOSOPHAJ-UHFFFAOYSA-N 1 0 290.366 3.499 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(CN2CC[NH2+]CC[C@@H]2C)cc1 ZINC001205324841 812954566 /nfs/dbraw/zinc/95/45/66/812954566.db2.gz GVUPGQUEWARTBJ-HNNXBMFYSA-N 1 0 297.446 3.278 20 10 CGCDRO C[C@@H](CC[NH2+]Cc1ccc(Cl)cc1[O-])[NH+]1CCCCC1 ZINC001205390763 812977379 /nfs/dbraw/zinc/97/73/79/812977379.db2.gz DCPIFHMWFQGDEV-ZDUSSCGKSA-N 1 0 296.842 3.400 20 10 CGCDRO COc1cccc(C[NH2+]Cc2ccc3[nH]ccc3c2)c1O ZINC001205678665 813049122 /nfs/dbraw/zinc/04/91/22/813049122.db2.gz RUWDREKSNABVBS-UHFFFAOYSA-N 1 0 282.343 3.172 20 10 CGCDRO [NH3+][C@H]1CCCCN(Cc2cc(Cl)c(Cl)cc2O)C1 ZINC001205939931 813141959 /nfs/dbraw/zinc/14/19/59/813141959.db2.gz WSKPEJNJEBDIQY-JTQLQIEISA-N 1 0 289.206 3.012 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C)C1CCC1 ZINC001207748637 813645046 /nfs/dbraw/zinc/64/50/46/813645046.db2.gz MKTXWDBKCRUFAA-KDOFPFPSSA-N 1 0 289.467 3.134 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(CN(C)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001209518863 814073185 /nfs/dbraw/zinc/07/31/85/814073185.db2.gz VGCSFIKNYCEIRS-LJQANCHMSA-N 1 0 297.446 3.230 20 10 CGCDRO Cc1cc(C)c(CN2CC[NH2+]C[C@@H]2c2ccccc2)c(O)c1 ZINC001210225975 814353407 /nfs/dbraw/zinc/35/34/07/814353407.db2.gz AHDCYNWDHCMFEC-GOSISDBHSA-N 1 0 296.414 3.156 20 10 CGCDRO c1ccc(/N=N/c2ccc(O[C@@H]3C[NH2+]CCOC3)cc2)cc1 ZINC001218042156 816070296 /nfs/dbraw/zinc/07/02/96/816070296.db2.gz JRXFGTZEYLYNRP-NHKNDPDJSA-N 1 0 297.358 3.469 20 10 CGCDRO CCC[C@H](CC)Oc1ccc(N2CC[NH2+]CC2)cc1 ZINC001218212970 816130799 /nfs/dbraw/zinc/13/07/99/816130799.db2.gz BTIIUXYPINCIQJ-HNNXBMFYSA-N 1 0 262.397 3.054 20 10 CGCDRO CC(C)(C)c1ccc(O)c(CN2CCC[C@]3(CC[NH2+]3)C2)c1 ZINC001222288139 816397610 /nfs/dbraw/zinc/39/76/10/816397610.db2.gz WXDVLWZEHTUIOG-SFHVURJKSA-N 1 0 288.435 3.018 20 10 CGCDRO Oc1ccc2ccccc2c1CN1CC[C@]2(C1)CCCC[NH2+]2 ZINC001222435862 816445457 /nfs/dbraw/zinc/44/54/57/816445457.db2.gz UDLZLCHQHFGTOC-IBGZPJMESA-N 1 0 296.414 3.263 20 10 CGCDRO COc1cc(C[N@@H+]2CC[C@@H]2c2ccccc2)c(O)cc1O ZINC001231637866 818144504 /nfs/dbraw/zinc/14/45/04/818144504.db2.gz TUSPYDPEWAWGBJ-CQSZACIVSA-N 1 0 285.343 3.053 20 10 CGCDRO COC[C@@]12CCC[C@@H]1C[N@H+](Cc1c(C)cc(C)cc1O)C2 ZINC001231844067 818186419 /nfs/dbraw/zinc/18/64/19/818186419.db2.gz DPETVIPOQBRLLB-QAPCUYQASA-N 1 0 289.419 3.258 20 10 CGCDRO Cc1cc(C)c(C[NH+]2CC(OCc3ccccc3)C2)c(O)c1 ZINC001231846041 818187564 /nfs/dbraw/zinc/18/75/64/818187564.db2.gz ZASJSGWYUWFLKP-UHFFFAOYSA-N 1 0 297.398 3.410 20 10 CGCDRO CC[N@H+](Cc1ccccn1)Cc1c(C)cc(C)cc1O ZINC001231846371 818187732 /nfs/dbraw/zinc/18/77/32/818187732.db2.gz KHQARMNGVDNHHI-UHFFFAOYSA-N 1 0 270.376 3.426 20 10 CGCDRO Oc1c(C[N@@H+]2CC[C@@]3(CCCO3)C2)ccc2ccccc21 ZINC001231879601 818199194 /nfs/dbraw/zinc/19/91/94/818199194.db2.gz JSSFFPPLKDXLTB-SFHVURJKSA-N 1 0 283.371 3.300 20 10 CGCDRO Oc1c(C[N@@H+]2CCC[C@]3(CCO3)C2)ccc2ccccc21 ZINC001231881298 818199596 /nfs/dbraw/zinc/19/95/96/818199596.db2.gz UURKVGVLMXYJHE-SFHVURJKSA-N 1 0 283.371 3.300 20 10 CGCDRO O=C1CC[N@H+](Cc2ccc3ccccc3c2O)CC[C@@H]1F ZINC001231879496 818199741 /nfs/dbraw/zinc/19/97/41/818199741.db2.gz FNYDZJFDEUPHHV-HNNXBMFYSA-N 1 0 287.334 3.048 20 10 CGCDRO Clc1cc(C[NH+]2CCCCC2)ccc1N1CCOCC1 ZINC001232198506 818274685 /nfs/dbraw/zinc/27/46/85/818274685.db2.gz UYPZYNZYPTVKRO-UHFFFAOYSA-N 1 0 294.826 3.163 20 10 CGCDRO Oc1cc(O)c(C[NH+]2CCC3(CC3)CC2)cc1Cl ZINC001232257763 818295144 /nfs/dbraw/zinc/29/51/44/818295144.db2.gz IZGFUWFSSSCGSF-UHFFFAOYSA-N 1 0 267.756 3.127 20 10 CGCDRO C[N@@H+](Cc1cc(Cl)c(O)cc1O)CC1CC(F)(F)C1 ZINC001232262226 818295284 /nfs/dbraw/zinc/29/52/84/818295284.db2.gz CEDOVRBRMWFIQH-UHFFFAOYSA-N 1 0 291.725 3.228 20 10 CGCDRO CN(C)c1ccc(C[NH+]2CCC(C)(C)CC2)c(O)c1 ZINC001232839807 818453130 /nfs/dbraw/zinc/45/31/30/818453130.db2.gz VYQVZHYTHHSVQR-UHFFFAOYSA-N 1 0 262.397 3.080 20 10 CGCDRO CC(C)(C)C1CC[NH+](Cc2cc(O)c(O)c(O)c2)CC1 ZINC001233010802 818500828 /nfs/dbraw/zinc/50/08/28/818500828.db2.gz URYIPPKBYJWHDJ-UHFFFAOYSA-N 1 0 279.380 3.062 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2cc(C(C)(C)C)ccc2O)CC[C@H]1O ZINC001233284155 818565594 /nfs/dbraw/zinc/56/55/94/818565594.db2.gz KIQWARPFKHRMQE-CZUORRHYSA-N 1 0 291.435 3.283 20 10 CGCDRO COC[C@@H]1CC[N@H+](Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001233284260 818568257 /nfs/dbraw/zinc/56/82/57/818568257.db2.gz NYHNVENSEZAPCP-CYBMUJFWSA-N 1 0 277.408 3.158 20 10 CGCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CC[C@@H]3OCC[C@H]3C2)c1 ZINC001233287121 818569597 /nfs/dbraw/zinc/56/95/97/818569597.db2.gz XKRWCLUIXVQRBY-GUYCJALGSA-N 1 0 289.419 3.301 20 10 CGCDRO C[C@@H]1C[C@@H](F)C[N@@H+]1Cc1ccc(C(F)(F)F)cc1O ZINC001233451967 818623465 /nfs/dbraw/zinc/62/34/65/818623465.db2.gz GFSAJPFBQAWXOB-LDYMZIIASA-N 1 0 277.261 3.343 20 10 CGCDRO CC(C)[N@H+](C)Cc1cccc(OC(F)(F)F)c1O ZINC001233726360 818691747 /nfs/dbraw/zinc/69/17/47/818691747.db2.gz CJFYMKKTLCKKIP-UHFFFAOYSA-N 1 0 263.259 3.131 20 10 CGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@H]3C)c2c1 ZINC001234525862 818874865 /nfs/dbraw/zinc/87/48/65/818874865.db2.gz LWNCVPTXIIJVHN-LLVKDONJSA-N 1 0 257.333 3.148 20 10 CGCDRO CC[NH+]1CCN(c2ccc(O[C@H]3CC[C@H](C)C3)cc2)CC1 ZINC001234657525 818907316 /nfs/dbraw/zinc/90/73/16/818907316.db2.gz DKNCFSISOFINRM-YJBOKZPZSA-N 1 0 288.435 3.396 20 10 CGCDRO C[C@@]1(CO)CC[N@H+](Cc2cccc(-c3ccccc3)c2O)C1 ZINC001234985986 818970202 /nfs/dbraw/zinc/97/02/02/818970202.db2.gz AIRMZNAUXGBLIM-LJQANCHMSA-N 1 0 297.398 3.264 20 10 CGCDRO OC[C@H]1CCC[N@H+](Cc2cccc(-c3ccccc3)c2O)C1 ZINC001234993566 818972872 /nfs/dbraw/zinc/97/28/72/818972872.db2.gz ZBTZXBIGLYNAFI-HNNXBMFYSA-N 1 0 297.398 3.264 20 10 CGCDRO Oc1c(C[N@@H+]2CCOC3(CC3)C2)cccc1-c1ccccc1 ZINC001234998881 818973934 /nfs/dbraw/zinc/97/39/34/818973934.db2.gz PBHPOHHSSLTACT-UHFFFAOYSA-N 1 0 295.382 3.424 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(CN2CC[C@@]3(CC[NH2+]3)C2)cc1 ZINC001235064030 818993762 /nfs/dbraw/zinc/99/37/62/818993762.db2.gz FYLQNIKZEJUFLM-IBGZPJMESA-N 1 0 295.430 3.032 20 10 CGCDRO CC[N@H+](Cc1ccccc1O)Cc1cc(C)cnc1F ZINC001235345687 819074248 /nfs/dbraw/zinc/07/42/48/819074248.db2.gz MKKFAGWGYQNPLN-UHFFFAOYSA-N 1 0 274.339 3.257 20 10 CGCDRO CO[C@@H](C)C1C[NH+](Cc2ccc(C(C)(C)C)cc2O)C1 ZINC001235681587 819139877 /nfs/dbraw/zinc/13/98/77/819139877.db2.gz NTFPFFSPNXIDCC-LBPRGKRZSA-N 1 0 277.408 3.156 20 10 CGCDRO CC[NH2+]C1CCN(Cc2ccc(C(C)(C)C)cc2O)CC1 ZINC001235724634 819153895 /nfs/dbraw/zinc/15/38/95/819153895.db2.gz AREVRGHAFNINIT-UHFFFAOYSA-N 1 0 290.451 3.264 20 10 CGCDRO CC[NH2+]C1CCN(Cc2cc(C(C)(C)C)ccc2O)CC1 ZINC001235727045 819155228 /nfs/dbraw/zinc/15/52/28/819155228.db2.gz VRMSHVCMQJDRDP-UHFFFAOYSA-N 1 0 290.451 3.264 20 10 CGCDRO CC1(C)C[NH2+]CCN1Cc1cccc(-c2ccccc2)c1O ZINC001235825205 819176663 /nfs/dbraw/zinc/17/66/63/819176663.db2.gz AEJCKXJGIDRRSD-UHFFFAOYSA-N 1 0 296.414 3.243 20 10 CGCDRO C[C@H]1C[C@H]([NH3+])CN(Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001236044553 819281804 /nfs/dbraw/zinc/28/18/04/819281804.db2.gz NSOAVWPIIRBMQO-HOCLYGCPSA-N 1 0 297.446 3.075 20 10 CGCDRO CCC[C@@H]1C[NH2+]CCN1Cc1cc(C(C)(C)C)ccc1O ZINC001236133266 819335840 /nfs/dbraw/zinc/33/58/40/819335840.db2.gz SXRPQLIRAWHESK-MRXNPFEDSA-N 1 0 290.451 3.264 20 10 CGCDRO CCCC[C@H]1CN(Cc2ccc(Cl)cc2O)CC[NH2+]1 ZINC001236139304 819340106 /nfs/dbraw/zinc/34/01/06/819340106.db2.gz XPYGCHGCDJGTBF-AWEZNQCLSA-N 1 0 282.815 3.010 20 10 CGCDRO CCC[C@H]1CN(Cc2ccc(C(C)(C)C)cc2O)CC[NH2+]1 ZINC001236178863 819357251 /nfs/dbraw/zinc/35/72/51/819357251.db2.gz LYVTVTOMYMISRQ-INIZCTEOSA-N 1 0 290.451 3.264 20 10 CGCDRO CCCN(Cc1cccc(C(C)(C)C)c1O)[C@@H]1CC[NH2+]C1 ZINC001236323977 819425937 /nfs/dbraw/zinc/42/59/37/819425937.db2.gz OAHBMOQBPSRUNM-OAHLLOKOSA-N 1 0 290.451 3.264 20 10 CGCDRO CCCN(Cc1ccc2ccccc2c1O)[C@H]1CC[NH2+]C1 ZINC001236324877 819427155 /nfs/dbraw/zinc/42/71/55/819427155.db2.gz WBGAFJDJCQJOJN-INIZCTEOSA-N 1 0 284.403 3.119 20 10 CGCDRO C[NH2+]C[C@H]1CCCN1Cc1ccc(N(C)C)c2ccccc12 ZINC001236418218 819464494 /nfs/dbraw/zinc/46/44/94/819464494.db2.gz YMMHFAWNBIBNPQ-MRXNPFEDSA-N 1 0 297.446 3.090 20 10 CGCDRO C[C@H]1[C@H]([NH3+])CCCN1Cc1ccc(C(C)(C)C)cc1O ZINC001236421325 819467737 /nfs/dbraw/zinc/46/77/37/819467737.db2.gz UFLFXDPXFDPGMA-SWLSCSKDSA-N 1 0 276.424 3.001 20 10 CGCDRO CCc1ccc(C[NH+]2CCC3(C[C@H](F)CO3)CC2)c(O)c1 ZINC001236791502 819595333 /nfs/dbraw/zinc/59/53/33/819595333.db2.gz HWVVMZVBJPZNKV-HNNXBMFYSA-N 1 0 293.382 3.048 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CC[C@H](c3ccncc3)C2)c(O)c1 ZINC001236812858 819604934 /nfs/dbraw/zinc/60/49/34/819604934.db2.gz FXDVOLFKRQDBHW-HNNXBMFYSA-N 1 0 298.386 3.094 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CCCC(F)(F)CC2)c(O)c1 ZINC001236818931 819606223 /nfs/dbraw/zinc/60/62/23/819606223.db2.gz QMASSBNOLDMYOU-UHFFFAOYSA-N 1 0 285.334 3.330 20 10 CGCDRO CCOc1cncc(C[N@H+](C)Cc2ccc(N(C)C)cc2)c1 ZINC001236840091 819616870 /nfs/dbraw/zinc/61/68/70/819616870.db2.gz FDGKKHDYLICZJG-UHFFFAOYSA-N 1 0 299.418 3.178 20 10 CGCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1Cl)CC1CC1 ZINC001236929975 819637911 /nfs/dbraw/zinc/63/79/11/819637911.db2.gz URMAWULJWFKRPH-UHFFFAOYSA-N 1 0 294.826 3.018 20 10 CGCDRO CCN(CC[NH+]1CCCC1)Cc1ccc(C(C)C)cc1O ZINC001237053285 819651646 /nfs/dbraw/zinc/65/16/46/819651646.db2.gz IFTLTJUJHZHXQZ-UHFFFAOYSA-N 1 0 290.451 3.433 20 10 CGCDRO CC(C)[N@H+](C)Cc1ccc(OCC(F)(F)F)cc1O ZINC001237051226 819652093 /nfs/dbraw/zinc/65/20/93/819652093.db2.gz IKOPCTCFGSSHJH-UHFFFAOYSA-N 1 0 277.286 3.174 20 10 CGCDRO CC(C)c1ccc(C[N@H+]2C[C@@H]3C(=O)CCC[C@@H]3C2)c(O)c1 ZINC001237050358 819652200 /nfs/dbraw/zinc/65/22/00/819652200.db2.gz AONBNDFSGJBCJA-ZBFHGGJFSA-N 1 0 287.403 3.317 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2CCCC3(COC3)C2)c(O)c1 ZINC001237052007 819652970 /nfs/dbraw/zinc/65/29/70/819652970.db2.gz QDDHCGULGITLGW-UHFFFAOYSA-N 1 0 275.392 3.128 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2CCOCC2(C)C)c(O)c1 ZINC001237054282 819653850 /nfs/dbraw/zinc/65/38/50/819653850.db2.gz UONKLPMIKMGYKT-UHFFFAOYSA-N 1 0 263.381 3.126 20 10 CGCDRO COCC[N@H+](Cc1c(O)ccc(F)c1Cl)C(C)C ZINC001237124038 819672992 /nfs/dbraw/zinc/67/29/92/819672992.db2.gz ITHXYBWUFUQWLS-UHFFFAOYSA-N 1 0 275.751 3.042 20 10 CGCDRO CCCCC[NH+]1CCN(Cc2c(C)cccc2O)CC1 ZINC001237489565 819762222 /nfs/dbraw/zinc/76/22/22/819762222.db2.gz ISTOGQWBLWBYDD-UHFFFAOYSA-N 1 0 276.424 3.008 20 10 CGCDRO Oc1ccc(-c2ccc(F)cc2)cc1C[NH+]1CC2(COC2)C1 ZINC001237640418 819795218 /nfs/dbraw/zinc/79/52/18/819795218.db2.gz BEXIUCONGXZWCV-UHFFFAOYSA-N 1 0 299.345 3.031 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC3(CC3)C2)cc1Br ZINC001237680792 819806838 /nfs/dbraw/zinc/80/68/38/819806838.db2.gz MBMRAPXQXXNTSO-UHFFFAOYSA-N 1 0 296.208 3.449 20 10 CGCDRO Oc1cccc2c1C[N@H+](Cc1cnc(C3CC3)s1)CC2 ZINC001237791483 819841842 /nfs/dbraw/zinc/84/18/42/819841842.db2.gz MWIBNJOQCCMLDX-UHFFFAOYSA-N 1 0 286.400 3.284 20 10 CGCDRO Cc1cc(F)cc(C[N@@H+]2CC[C@@H]3CCC[C@@H]3C2)c1O ZINC001238064493 819919891 /nfs/dbraw/zinc/91/98/91/819919891.db2.gz PMEQIKLKUOFNJK-QWHCGFSZSA-N 1 0 263.356 3.462 20 10 CGCDRO Cc1cc(F)cc(C[N@@H+]2CC[C@H](c3ccccn3)C2)c1O ZINC001238063533 819921250 /nfs/dbraw/zinc/92/12/50/819921250.db2.gz YBVIPBZAUCSVNF-ZDUSSCGKSA-N 1 0 286.350 3.224 20 10 CGCDRO Cc1cc(F)cc(CN2CC(Oc3ccccc3)C2)c1O ZINC001238061288 819921646 /nfs/dbraw/zinc/92/16/46/819921646.db2.gz FXENTQWSYGGPOV-UHFFFAOYSA-N 1 0 287.334 3.103 20 10 CGCDRO c1cn(Cc2ccccc2)c2ccnc(C3=CCC[NH2+]C3)c12 ZINC001240652362 821220133 /nfs/dbraw/zinc/22/01/33/821220133.db2.gz WMODSPSROHXUSS-UHFFFAOYSA-N 1 0 289.382 3.461 20 10 CGCDRO CCC[N@H+](Cc1ccc(N2CCCC2)cc1)CC(C)(C)O ZINC001341567604 936442887 /nfs/dbraw/zinc/44/28/87/936442887.db2.gz KYGXJSUYWSSOLE-UHFFFAOYSA-N 1 0 290.451 3.270 20 10 CGCDRO Cc1cnccc1OC1CC[NH+](Cc2ccc(N)cc2)CC1 ZINC001345159833 936804762 /nfs/dbraw/zinc/80/47/62/936804762.db2.gz NUZUHAMNYFTQOW-UHFFFAOYSA-N 1 0 297.402 3.016 20 10 CGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@@H]2CCC(C)(C)O2)cc1F ZINC001348272692 936915713 /nfs/dbraw/zinc/91/57/13/936915713.db2.gz XEOZZPWAJMVJEI-LBPRGKRZSA-N 1 0 298.377 3.078 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]CCCC(F)F)c1O ZINC001350635690 936996842 /nfs/dbraw/zinc/99/68/42/936996842.db2.gz GCGDDNBMLPQGBU-VIFPVBQESA-N 1 0 259.296 3.097 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+][C@@H]1CCCSCC1 ZINC000692417791 926806980 /nfs/dbraw/zinc/80/69/80/926806980.db2.gz CQHMZQSPBUMXRI-GFCCVEGCSA-N 1 0 271.813 3.421 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cc(C(C)C)ccc1O)[C@@H](O)C(F)F ZINC001474553714 937206259 /nfs/dbraw/zinc/20/62/59/937206259.db2.gz UNEKUNBVNKHBHQ-TZMCWYRMSA-N 1 0 287.350 3.010 20 10 CGCDRO CCOCCC[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2C ZINC000019963057 928046628 /nfs/dbraw/zinc/04/66/28/928046628.db2.gz LOCAPTMEDHAVMB-STQMWFEESA-N 1 0 263.381 3.265 20 10 CGCDRO CC(C)c1ccc(O)c(C[N@H+](CC(C)(C)O)C2CC2)c1 ZINC001308712593 928538590 /nfs/dbraw/zinc/53/85/90/928538590.db2.gz ZPITUQRPGRQAJL-UHFFFAOYSA-N 1 0 277.408 3.251 20 10 CGCDRO Cc1ccc(C)c(C[N@H+]2C[C@H]3[C@H](CC3(F)F)C2)c1O ZINC001140178767 931956871 /nfs/dbraw/zinc/95/68/71/931956871.db2.gz WYPMWFJCDZWMJU-YPMHNXCESA-N 1 0 267.319 3.096 20 10 CGCDRO Cc1ccc(C)c(C[N@@H+]2C[C@@H](C)C[C@H]2CF)c1O ZINC001140178381 931957006 /nfs/dbraw/zinc/95/70/06/931957006.db2.gz JYXHJUGDTCPRTC-GWCFXTLKSA-N 1 0 251.345 3.189 20 10 CGCDRO Oc1c(F)cc(F)cc1CNc1cc2cc[nH]c2cn1 ZINC001461604800 937588411 /nfs/dbraw/zinc/58/84/11/937588411.db2.gz HKMBUQURWJVQJF-UHFFFAOYSA-N 1 0 275.258 3.159 20 10 CGCDRO C[C@@H]1C[C@H](C)[N@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC001461858494 937601718 /nfs/dbraw/zinc/60/17/18/937601718.db2.gz GXGWPPZKTHVHCR-MNOVXSKESA-N 1 0 268.351 3.261 20 10 CGCDRO COc1cc(C)c(C[NH2+]C[C@@H](C)c2nccs2)c(O)c1 ZINC001462060947 937615272 /nfs/dbraw/zinc/61/52/72/937615272.db2.gz CORQWXSYYCNDNW-LLVKDONJSA-N 1 0 292.404 3.059 20 10 CGCDRO COc1ccc(C[NH2+]C[C@@H](C)C(C)(C)C)c(O)c1OC ZINC001333807551 932762107 /nfs/dbraw/zinc/76/21/07/932762107.db2.gz KEGKPRWYUOXOAC-LLVKDONJSA-N 1 0 281.396 3.181 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CC3(CCC3)CO2)cc1Cl ZINC001462587318 937651927 /nfs/dbraw/zinc/65/19/27/937651927.db2.gz FZKYHNSTWBGXQF-CYBMUJFWSA-N 1 0 295.810 3.403 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CCO[C@H](C(C)C)C2)cc1C ZINC001308350348 933099321 /nfs/dbraw/zinc/09/93/21/933099321.db2.gz SLDQUBQKPSNCQS-WBVHZDCISA-N 1 0 277.408 3.297 20 10 CGCDRO C[C@@H]([NH2+]Cc1cnn(C)c1C1CC1)c1ccc(N(C)C)cc1 ZINC001308376938 933103845 /nfs/dbraw/zinc/10/38/45/933103845.db2.gz SDZZBZORYCRTEI-CYBMUJFWSA-N 1 0 298.434 3.214 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](CO)CC2CCCCC2)cc1C ZINC001308441967 933111158 /nfs/dbraw/zinc/11/11/58/933111158.db2.gz UTQOTLFTHKDZKE-QGZVFWFLSA-N 1 0 291.435 3.425 20 10 CGCDRO CC(C)[C@@H]1C[C@H]1[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC001308557417 933131751 /nfs/dbraw/zinc/13/17/51/933131751.db2.gz KRUNEKSSKXGWTN-LZCSOBMZSA-N 1 0 258.409 3.400 20 10 CGCDRO COc1ccc(O)c(C[NH2+]CC2CCC=CCC2)c1 ZINC001308950488 933211486 /nfs/dbraw/zinc/21/14/86/933211486.db2.gz HJNOCKVXDLVZFP-UHFFFAOYSA-N 1 0 261.365 3.237 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCCC[C@@H]1N(C)C)c1ccccc1O ZINC001320410071 934044974 /nfs/dbraw/zinc/04/49/74/934044974.db2.gz IDECKYQIRWWZMR-JYJNAYRXSA-N 1 0 276.424 3.306 20 10 CGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]CCOc1cccnc1 ZINC001320411297 934045615 /nfs/dbraw/zinc/04/56/15/934045615.db2.gz LNQXMACHKMRVQW-ZFWWWQNUSA-N 1 0 298.386 3.313 20 10 CGCDRO CCN(C)c1ccc(C[N@H+](C)C2CCC(CO)CC2)cc1 ZINC001321007623 934133901 /nfs/dbraw/zinc/13/39/01/934133901.db2.gz JKIQHSNZEYFCFB-UHFFFAOYSA-N 1 0 290.451 3.126 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CCNc1ccccn1 ZINC001321024781 934136217 /nfs/dbraw/zinc/13/62/17/934136217.db2.gz VOBITRDCWQYSHD-KGLIPLIRSA-N 1 0 297.402 3.346 20 10 CGCDRO C=C/C=C\CC[NH+]1CCN(c2ccc(OCC)cc2)CC1 ZINC001473295167 937800693 /nfs/dbraw/zinc/80/06/93/937800693.db2.gz CPOLKEYQPQRMSZ-WAYWQWQTSA-N 1 0 286.419 3.340 20 10 CGCDRO CO[C@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)C[C@H]1C ZINC001325127499 934889105 /nfs/dbraw/zinc/88/91/05/934889105.db2.gz HSFHFWRGCRRDFX-QAPCUYQASA-N 1 0 288.435 3.144 20 10 CGCDRO CO[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2C ZINC001325313205 934904005 /nfs/dbraw/zinc/90/40/05/934904005.db2.gz AQRIGUXQLCTADE-KYEXWDHISA-N 1 0 275.392 3.406 20 10 CGCDRO CCC[C@@H](C)[C@@H](CO)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001327271241 935049585 /nfs/dbraw/zinc/04/95/85/935049585.db2.gz WYSUBOVIYSMLDA-CRAIPNDOSA-N 1 0 290.451 3.174 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H](CO)CC1CCC1 ZINC001327724412 935081612 /nfs/dbraw/zinc/08/16/12/935081612.db2.gz XAXPPRFWRADODP-YUELXQCFSA-N 1 0 289.419 3.390 20 10 CGCDRO CN(C)c1cc(F)c(C[NH2+][C@H]2CCOC(C)(C)C2)cc1F ZINC001329156189 935191409 /nfs/dbraw/zinc/19/14/09/935191409.db2.gz MDZNCFILAZYICX-LBPRGKRZSA-N 1 0 298.377 3.078 20 10 CGCDRO CC(C)c1ocnc1C[NH2+][C@@H](C)c1ccccc1O ZINC001330696620 935313495 /nfs/dbraw/zinc/31/34/95/935313495.db2.gz SOKHBFMQBUVIOY-NSHDSACASA-N 1 0 260.337 3.354 20 10 CGCDRO CO[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)c(C)cc1O ZINC001330817025 935325015 /nfs/dbraw/zinc/32/50/15/935325015.db2.gz FWJNUQLKPPWKRH-UKRRQHHQSA-N 1 0 283.799 3.401 20 10 CGCDRO CCC[C@H](O)CC[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2C ZINC001335296759 936137430 /nfs/dbraw/zinc/13/74/30/936137430.db2.gz MQJJZFLEILLAPT-IHRRRGAJSA-N 1 0 277.408 3.390 20 10 CGCDRO CS[C@H]1CC[C@H]([N@H+](C)Cc2cc(F)ccc2O)C1 ZINC001337395960 936256130 /nfs/dbraw/zinc/25/61/30/936256130.db2.gz MSKXRFHEGWUPIY-STQMWFEESA-N 1 0 269.385 3.247 20 10 CGCDRO CCC[N@H+](CC)C[C@@H](C)NCc1ccc2c(c1)CCCO2 ZINC001474164090 937842613 /nfs/dbraw/zinc/84/26/13/937842613.db2.gz KEGUZDQWJDFFQF-OAHLLOKOSA-N 1 0 290.451 3.222 20 10 CGCDRO CCCOc1ccc(C[NH2+]CC2(OC)CCC2)cc1C ZINC001474180557 937842854 /nfs/dbraw/zinc/84/28/54/937842854.db2.gz KUWDROVQRUWOCV-UHFFFAOYSA-N 1 0 277.408 3.443 20 10 CGCDRO F[C@H]1CCCC[C@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001474228714 937845278 /nfs/dbraw/zinc/84/52/78/937845278.db2.gz LGTKWDZQRMFUIR-LSDHHAIUSA-N 1 0 263.356 3.382 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+][C@H](CO)CC2CCC2)c1 ZINC001474539058 937865701 /nfs/dbraw/zinc/86/57/01/937865701.db2.gz COTYKZRJDIMAOG-INIZCTEOSA-N 1 0 277.408 3.156 20 10 CGCDRO Oc1cc(Cl)ccc1C[NH2+]C1([C@H]2CCCCO2)CC1 ZINC001474721057 937877263 /nfs/dbraw/zinc/87/72/63/937877263.db2.gz NYNOHIXGBMWFOD-CQSZACIVSA-N 1 0 281.783 3.237 20 10 CGCDRO COc1ccc(C[NH2+]C/C=C/c2ccccc2)c(O)c1OC ZINC001560708980 938271575 /nfs/dbraw/zinc/27/15/75/938271575.db2.gz WZLVZSSENZPEQG-RMKNXTFCSA-N 1 0 299.370 3.212 20 10 CGCDRO C[NH+](C)CC1(C[NH2+]Cc2cccc(Cl)c2[O-])CCCC1 ZINC001560739302 938273370 /nfs/dbraw/zinc/27/33/70/938273370.db2.gz GHZFGPUACKBTOB-UHFFFAOYSA-N 1 0 296.842 3.257 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]C[C@H]1C[C@H]1C1CCCC1 ZINC001561051908 938291825 /nfs/dbraw/zinc/29/18/25/938291825.db2.gz MKZMERCGWNLPOD-DOMZBBRYSA-N 1 0 263.356 3.447 20 10 CGCDRO Cc1ccc2c(c1)OCCN2Cc1cccc2c1CC[NH2+]C2 ZINC001579737901 962663995 /nfs/dbraw/zinc/66/39/95/962663995.db2.gz RQRLDCHGUWTGHW-UHFFFAOYSA-N 1 0 294.398 3.040 20 10 CGCDRO Nc1ccc(C[NH2+]CCc2ccc(F)c(F)c2F)cc1 ZINC001580445469 962724781 /nfs/dbraw/zinc/72/47/81/962724781.db2.gz FMEIPLZVDDAHIY-UHFFFAOYSA-N 1 0 280.293 3.018 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC000085671501 282290697 /nfs/dbraw/zinc/29/06/97/282290697.db2.gz GNJKCXWYNXDXIO-ZACQAIPSSA-N 1 0 288.435 3.046 20 10 CGCDRO CC[N@H+](Cc1ccc(N(C)C)c(F)c1)Cc1ccccn1 ZINC000124800393 370926880 /nfs/dbraw/zinc/92/68/80/370926880.db2.gz GULNJZWPSWJCLZ-UHFFFAOYSA-N 1 0 287.382 3.309 20 10 CGCDRO Oc1ccccc1C[N@@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000072952724 369846189 /nfs/dbraw/zinc/84/61/89/369846189.db2.gz WBVQIYFHVYVXIU-INIZCTEOSA-N 1 0 287.359 3.166 20 10 CGCDRO COc1cccc(C[N@@H+]2CCCC[C@@H](SC)C2)c1O ZINC000092064189 370091293 /nfs/dbraw/zinc/09/12/93/370091293.db2.gz AHHUIBYBSHBBKK-CYBMUJFWSA-N 1 0 281.421 3.118 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCCC[C@H]2c2ncc[nH]2)c1 ZINC000092729736 370099152 /nfs/dbraw/zinc/09/91/52/370099152.db2.gz IMKOBUZDQSSLDJ-AWEZNQCLSA-N 1 0 271.364 3.151 20 10 CGCDRO C[C@H]([NH2+]C[C@@]1(C)CCCS1)c1ccccc1O ZINC000133896171 371287687 /nfs/dbraw/zinc/28/76/87/371287687.db2.gz LPYJXEDURHZNBD-SMDDNHRTSA-N 1 0 251.395 3.329 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCSC(C)C)c(O)c1 ZINC000287185322 371616875 /nfs/dbraw/zinc/61/68/75/371616875.db2.gz VMWDOJDXDHXQCI-GFCCVEGCSA-N 1 0 253.411 3.493 20 10 CGCDRO CCOCC(C)(C)C[NH2+]Cc1c(O)cccc1Cl ZINC000288521629 371739119 /nfs/dbraw/zinc/73/91/19/371739119.db2.gz JKRKEZOYFJBRLY-UHFFFAOYSA-N 1 0 271.788 3.198 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]C2(C(C)C)CC2)c1O ZINC000293676898 372446644 /nfs/dbraw/zinc/44/66/44/372446644.db2.gz PIMWVYKQQLZBFQ-UHFFFAOYSA-N 1 0 269.772 3.332 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](O)Cc2ccccc2)c(O)c1 ZINC000293792281 372482777 /nfs/dbraw/zinc/48/27/77/372482777.db2.gz QQUKZOCUXOBNDS-RDJZCZTQSA-N 1 0 299.414 3.263 20 10 CGCDRO OCC1([C@H]([NH2+]Cc2ccccc2O)c2ccccc2)CCC1 ZINC000293896966 372515728 /nfs/dbraw/zinc/51/57/28/372515728.db2.gz KTKRBNFGSBJMOI-GOSISDBHSA-N 1 0 297.398 3.386 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@H](CO)Cc2ccccc2)c(O)c1 ZINC000294112602 372584314 /nfs/dbraw/zinc/58/43/14/372584314.db2.gz KDHQYECDJCOUBI-RDJZCZTQSA-N 1 0 299.414 3.263 20 10 CGCDRO C[C@H]([NH2+]CCC(C)(F)F)c1ccc(N(C)C)cc1 ZINC000294151513 372595466 /nfs/dbraw/zinc/59/54/66/372595466.db2.gz HMUMGFWHUWKAEX-NSHDSACASA-N 1 0 256.340 3.449 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2cccc(N(C)C)n2)c(O)c1 ZINC000294580383 372660671 /nfs/dbraw/zinc/66/06/71/372660671.db2.gz CHTDEDVKWGZOGV-CQSZACIVSA-N 1 0 299.418 3.321 20 10 CGCDRO CCn1cc([C@H](C)[NH2+][C@H](C)c2cc(OC)ccc2O)cn1 ZINC000294970145 372681828 /nfs/dbraw/zinc/68/18/28/372681828.db2.gz XIPIXUVOMLDQKD-NWDGAFQWSA-N 1 0 289.379 3.029 20 10 CGCDRO Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+][C@H]1C[C@@H](O)C1 ZINC000296098834 373021400 /nfs/dbraw/zinc/02/14/00/373021400.db2.gz YPNHIJVAHURJQI-SOLBZPMBSA-N 1 0 297.398 3.179 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]CCc1ccccc1F)CC2 ZINC000296214658 373056103 /nfs/dbraw/zinc/05/61/03/373056103.db2.gz ZNWAIYRCDSLMSH-HNNXBMFYSA-N 1 0 271.335 3.351 20 10 CGCDRO CC(C)SCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296230724 373060100 /nfs/dbraw/zinc/06/01/00/373060100.db2.gz AIDHEMBZOYDQPE-LBPRGKRZSA-N 1 0 251.395 3.111 20 10 CGCDRO CN(C)c1ccc(C[N@H+](Cc2ccncc2)C2CC2)cc1 ZINC000172979147 373073565 /nfs/dbraw/zinc/07/35/65/373073565.db2.gz GHCJFDSESUCJPI-UHFFFAOYSA-N 1 0 281.403 3.312 20 10 CGCDRO COCC1(CC[NH2+][C@@H]2CCc3cccc(O)c32)CCC1 ZINC000297217553 373261716 /nfs/dbraw/zinc/26/17/16/373261716.db2.gz HBDZTKVPLAAQMY-CQSZACIVSA-N 1 0 275.392 3.176 20 10 CGCDRO CCO[C@H](CC[NH2+][C@@H]1CCc2cccc(O)c21)C(C)C ZINC000297897783 373283903 /nfs/dbraw/zinc/28/39/03/373283903.db2.gz VWXNCKWBDFNINV-GDBMZVCRSA-N 1 0 277.408 3.420 20 10 CGCDRO COc1ccccc1C[N@H+](C)Cc1cc(C)ccc1O ZINC000179589312 373890664 /nfs/dbraw/zinc/89/06/64/373890664.db2.gz QQVIDBATEJNFQW-UHFFFAOYSA-N 1 0 271.360 3.341 20 10 CGCDRO Cc1nccn1CCCC[NH2+][C@H](C)c1ccccc1O ZINC000179877743 373934543 /nfs/dbraw/zinc/93/45/43/373934543.db2.gz LJDPDWMJFWVEFZ-CYBMUJFWSA-N 1 0 273.380 3.028 20 10 CGCDRO CCSCC[C@@H](C)[N@H+](C)Cc1cc(OC)ccc1O ZINC000180670862 374032236 /nfs/dbraw/zinc/03/22/36/374032236.db2.gz CBLJRVQIRGAVND-GFCCVEGCSA-N 1 0 283.437 3.364 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](O)c1ccccc1C)c1ccccc1O ZINC000183349474 374403576 /nfs/dbraw/zinc/40/35/76/374403576.db2.gz IZEYBATZDWSWBG-FUHWJXTLSA-N 1 0 285.387 3.475 20 10 CGCDRO CC(C)[C@@H](O)C(C)(C)C[NH2+][C@H](C)c1ccccc1O ZINC000183629060 374435990 /nfs/dbraw/zinc/43/59/90/374435990.db2.gz SOUKPQGWINECTE-IUODEOHRSA-N 1 0 265.397 3.086 20 10 CGCDRO COC(C)(C)C[C@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000183533040 374424386 /nfs/dbraw/zinc/42/43/86/374424386.db2.gz PFMFYDKBIQWULX-RYUDHWBXSA-N 1 0 251.370 3.246 20 10 CGCDRO C[C@@H]([NH2+]CCc1ccc(Cl)nc1)c1ccccc1O ZINC000183561354 374428149 /nfs/dbraw/zinc/42/81/49/374428149.db2.gz FBEQRAYEJAKULW-LLVKDONJSA-N 1 0 276.767 3.334 20 10 CGCDRO Cc1cccc(C[NH2+]Cc2ccc(C(C)(C)O)cc2)c1O ZINC000187525287 375036214 /nfs/dbraw/zinc/03/62/14/375036214.db2.gz KTOMTWMDMKICRM-UHFFFAOYSA-N 1 0 285.387 3.218 20 10 CGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000479451430 375153619 /nfs/dbraw/zinc/15/36/19/375153619.db2.gz HEYUBPRYOLQLPL-WBAXXEDZSA-N 1 0 298.430 3.390 20 10 CGCDRO C[C@@H](Cc1cccs1)[NH2+]Cc1cc(F)ccc1O ZINC000226583921 376365919 /nfs/dbraw/zinc/36/59/19/376365919.db2.gz OIXUAXCAVYLDFV-JTQLQIEISA-N 1 0 265.353 3.314 20 10 CGCDRO Cc1ccoc1C[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000266195228 378015839 /nfs/dbraw/zinc/01/58/39/378015839.db2.gz JUZJXKCHUKCBKG-UHFFFAOYSA-N 1 0 270.376 3.260 20 10 CGCDRO C[C@H](C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1)N(C)C ZINC000268827977 378124216 /nfs/dbraw/zinc/12/42/16/378124216.db2.gz BNWZSABYFYGLGY-CVEARBPZSA-N 1 0 289.467 3.278 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H]2CCO[C@H](C(C)C)C2)c1O ZINC000271434324 378491328 /nfs/dbraw/zinc/49/13/28/378491328.db2.gz BRCYIZHUSRIIOI-ZBFHGGJFSA-N 1 0 293.407 3.084 20 10 CGCDRO Cc1cccc(C[N@H+]2CC=C(C(F)(F)F)CC2)c1O ZINC000271795511 378504185 /nfs/dbraw/zinc/50/41/85/378504185.db2.gz JYDORASCECEJLD-UHFFFAOYSA-N 1 0 271.282 3.395 20 10 CGCDRO CO[C@H](C)CC[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000273623306 378758311 /nfs/dbraw/zinc/75/83/11/378758311.db2.gz ZUQWZRZTHUUIEV-DGCLKSJQSA-N 1 0 251.370 3.085 20 10 CGCDRO COc1ccc(C[NH2+]CC[C@H]2CCO[C@H](C)C2)cc1C ZINC000273031180 378735999 /nfs/dbraw/zinc/73/59/99/378735999.db2.gz GGNKJVHQWVIGHS-CABCVRRESA-N 1 0 277.408 3.298 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2nnc(C(C)C)[nH]2)c(O)c1 ZINC000273510342 378750398 /nfs/dbraw/zinc/75/03/98/378750398.db2.gz RQDRPAFSKFWCLY-VXGBXAGGSA-N 1 0 288.395 3.354 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2COC3(CCCC3)O2)c1 ZINC000273539493 378751873 /nfs/dbraw/zinc/75/18/73/378751873.db2.gz XYSFHKKTFYCJAZ-ZIAGYGMSSA-N 1 0 291.391 3.037 20 10 CGCDRO CO[C@]1(C)CCC[N@H+](Cc2cccc(C)c2O)CC1 ZINC000373467007 379283385 /nfs/dbraw/zinc/28/33/85/379283385.db2.gz QICJUGDEWNHTQI-MRXNPFEDSA-N 1 0 263.381 3.092 20 10 CGCDRO CC(C)(COCc1ccccc1)[NH2+]Cc1ccccc1O ZINC000282180924 379868737 /nfs/dbraw/zinc/86/87/37/379868737.db2.gz KBSHETTUGFJQBT-UHFFFAOYSA-N 1 0 285.387 3.477 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]C[C@H](O)c2cc(C)cc(C)c2)c1 ZINC000282972583 380019272 /nfs/dbraw/zinc/01/92/72/380019272.db2.gz LJBRHNDAWOVGGD-SFHVURJKSA-N 1 0 285.387 3.141 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2CCO[C@@H]2c2cccnc2)cc1C ZINC000284995615 380143161 /nfs/dbraw/zinc/14/31/61/380143161.db2.gz LQYJGKBNCAYWNC-FUHWJXTLSA-N 1 0 298.386 3.018 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CC2(N(C)C)CCC2)c(O)c1 ZINC000285268060 380146216 /nfs/dbraw/zinc/14/62/16/380146216.db2.gz QQUBZHRRVQUVID-CQSZACIVSA-N 1 0 276.424 3.144 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](C)C[C@H](C)O)c(O)c1 ZINC000283952748 380109541 /nfs/dbraw/zinc/10/95/41/380109541.db2.gz FUVUBJYYJCJVHA-UBHSHLNASA-N 1 0 265.397 3.067 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCCc2cnn(C)c2)c(O)c1 ZINC000284009046 380114228 /nfs/dbraw/zinc/11/42/28/380114228.db2.gz IBWVKPLSWMRAFV-CQSZACIVSA-N 1 0 287.407 3.026 20 10 CGCDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1cncc(F)c1 ZINC000355128001 380589108 /nfs/dbraw/zinc/58/91/08/380589108.db2.gz UECDCZRCBSEKMB-UHFFFAOYSA-N 1 0 283.350 3.311 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000367689430 382353630 /nfs/dbraw/zinc/35/36/30/382353630.db2.gz VLLOSPLZSNRBAJ-HUUCEWRRSA-N 1 0 275.392 3.031 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]Cc2cnc3n2CCCC3)c(O)c1C ZINC000367439391 382348090 /nfs/dbraw/zinc/34/80/90/382348090.db2.gz UHFVKJHJQUBVSY-AWEZNQCLSA-N 1 0 299.418 3.393 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CC[C@H]2CCCCO2)c1 ZINC000186515232 262316153 /nfs/dbraw/zinc/31/61/53/262316153.db2.gz NBSTYAGMBKKOHE-UONOGXRCSA-N 1 0 263.381 3.310 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]CCc1ccsc1)CC2 ZINC000295836086 285396762 /nfs/dbraw/zinc/39/67/62/285396762.db2.gz FISXDKMDKWAJRO-ZDUSSCGKSA-N 1 0 259.374 3.273 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]CCOC1CCCCC1)CC2 ZINC000297766201 285396880 /nfs/dbraw/zinc/39/68/80/285396880.db2.gz OZLGPYIYEFYDSR-HNNXBMFYSA-N 1 0 275.392 3.318 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CCC3(CCC3)C2)c1O ZINC000093455869 392237681 /nfs/dbraw/zinc/23/76/81/392237681.db2.gz VNVVQVNVEMBCMH-UHFFFAOYSA-N 1 0 261.365 3.167 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCCSC1)c1ccccc1O ZINC000121644204 392413862 /nfs/dbraw/zinc/41/38/62/392413862.db2.gz MKVZXSCSMCUMFV-AAEUAGOBSA-N 1 0 251.395 3.329 20 10 CGCDRO CC[C@@H]([NH2+][C@H]1CCCSC1)c1ccccc1O ZINC000121644373 392414828 /nfs/dbraw/zinc/41/48/28/392414828.db2.gz MKVZXSCSMCUMFV-WCQYABFASA-N 1 0 251.395 3.329 20 10 CGCDRO Cc1cccc(C[NH2+][C@H]2CCCc3occc32)c1O ZINC000124701490 392435664 /nfs/dbraw/zinc/43/56/64/392435664.db2.gz XTGWRLYJERPMDD-AWEZNQCLSA-N 1 0 257.333 3.461 20 10 CGCDRO CCC(CC)[N@H+](CCOC)Cc1ccccc1O ZINC000133485120 392463342 /nfs/dbraw/zinc/46/33/42/392463342.db2.gz YSJXJLIHRGNIIJ-UHFFFAOYSA-N 1 0 251.370 3.029 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H](C)CCSCC)c1O ZINC000135296299 392474391 /nfs/dbraw/zinc/47/43/91/392474391.db2.gz JBPASDLJXJDIKG-LBPRGKRZSA-N 1 0 283.437 3.412 20 10 CGCDRO COC(=O)C[C@H]1CCC[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC000178778034 392685094 /nfs/dbraw/zinc/68/50/94/392685094.db2.gz FAUNMGRUMUFLEY-CQSZACIVSA-N 1 0 299.370 3.073 20 10 CGCDRO CCC[N@H+](Cc1cccc(OC)n1)Cc1ccccc1O ZINC000172532258 392619803 /nfs/dbraw/zinc/61/98/03/392619803.db2.gz JCHBXRWJPLGYNU-UHFFFAOYSA-N 1 0 286.375 3.208 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000179580945 392703766 /nfs/dbraw/zinc/70/37/66/392703766.db2.gz DYUYFRXXCOGIFI-QGZVFWFLSA-N 1 0 282.387 3.469 20 10 CGCDRO COc1ccc([C@@H]2CC[N@H+](Cc3ccccc3O)C2)cc1 ZINC000179566794 392704416 /nfs/dbraw/zinc/70/44/16/392704416.db2.gz CUFPYTCRXQGXCK-OAHLLOKOSA-N 1 0 283.371 3.390 20 10 CGCDRO CSCCCCC[NH2+]Cc1cccc(F)c1[O-] ZINC000229606442 393022241 /nfs/dbraw/zinc/02/22/41/393022241.db2.gz IRRKMLNWPNQYPF-UHFFFAOYSA-N 1 0 257.374 3.154 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCc3ccsc3C2)c1O ZINC000271841735 393255866 /nfs/dbraw/zinc/25/58/66/393255866.db2.gz QFQDBHMTPSXEFX-UHFFFAOYSA-N 1 0 259.374 3.320 20 10 CGCDRO Cc1nccnc1[C@@H](C)[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000187897890 397662625 /nfs/dbraw/zinc/66/26/25/397662625.db2.gz JGNDLYRRYKVMMK-CQSZACIVSA-N 1 0 296.418 3.018 20 10 CGCDRO CC(C)CCC[C@H](C)[NH2+]Cc1ccc(O)c(O)c1 ZINC000020138652 171026197 /nfs/dbraw/zinc/02/61/97/171026197.db2.gz DDLCUXOAAKHHPN-LBPRGKRZSA-N 1 0 251.370 3.402 20 10 CGCDRO COc1cccc(C[NH2+]Cc2ccc(N(C)C)cc2)c1 ZINC000020145999 171032183 /nfs/dbraw/zinc/03/21/83/171032183.db2.gz FBTUEOXVZKHBOM-UHFFFAOYSA-N 1 0 270.376 3.051 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccccc2)c(O)c1 ZINC000035601173 172289664 /nfs/dbraw/zinc/28/96/64/172289664.db2.gz UKMWQQHXKPCSPT-DYVFJYSZSA-N 1 0 271.360 3.085 20 10 CGCDRO c1cc(N2CCCCC2)ccc1C[NH2+]C[C@@H]1CCCOC1 ZINC000038044444 174052050 /nfs/dbraw/zinc/05/20/50/174052050.db2.gz VNNTVWFVCLDHQC-KRWDZBQOSA-N 1 0 288.435 3.193 20 10 CGCDRO Cc1csc(C[NH2+][C@@H](C)c2ccc(C)cc2O)n1 ZINC000038090846 174104557 /nfs/dbraw/zinc/10/45/57/174104557.db2.gz QDTTZMSTZADQBB-NSHDSACASA-N 1 0 262.378 3.316 20 10 CGCDRO C[C@@H](O)CC(C)(C)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000090086270 260238226 /nfs/dbraw/zinc/23/82/26/260238226.db2.gz RUZGPJYPZNFDFS-KGLIPLIRSA-N 1 0 278.440 3.200 20 10 CGCDRO C[C@@H]([NH2+]C[C@H](C)CO)c1ccc(N2CCCCCC2)cc1 ZINC000151744395 261055070 /nfs/dbraw/zinc/05/50/70/261055070.db2.gz OOFCCDRALNCWKL-JKSUJKDBSA-N 1 0 290.451 3.346 20 10 CGCDRO COc1cccc(C[N@H+](C)Cc2ccccc2)c1O ZINC000154461223 261091487 /nfs/dbraw/zinc/09/14/87/261091487.db2.gz AMSSAADPGKZGPN-UHFFFAOYSA-N 1 0 257.333 3.033 20 10 CGCDRO CCOc1cccc(C[N@H+](C)Cc2ccccc2)c1O ZINC000154467652 261091768 /nfs/dbraw/zinc/09/17/68/261091768.db2.gz NOXYEZMRIFQPIT-UHFFFAOYSA-N 1 0 271.360 3.423 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccccc1O ZINC000157023254 261137893 /nfs/dbraw/zinc/13/78/93/261137893.db2.gz GPLNKSZDIANEAR-ABFRBSLYSA-N 1 0 287.403 3.391 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCO[C@H](C2CC2)C1)c1cc(F)ccc1O ZINC000157745564 261151635 /nfs/dbraw/zinc/15/16/35/261151635.db2.gz RLHBVWFKHSDTMO-ZXIHIIQKSA-N 1 0 279.355 3.140 20 10 CGCDRO CCC[NH+](CCC)Cc1cc(OC)c(OC)cc1O ZINC000159660270 261191017 /nfs/dbraw/zinc/19/10/17/261191017.db2.gz NGCIDQVTNDKMID-UHFFFAOYSA-N 1 0 267.369 3.031 20 10 CGCDRO C[C@H]([NH2+]C[C@H](CO)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000161456957 261247882 /nfs/dbraw/zinc/24/78/82/261247882.db2.gz UBMAGYSIZKOGAK-MAUKXSAKSA-N 1 0 298.430 3.179 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H](C)COC)cc1 ZINC000178668935 261754665 /nfs/dbraw/zinc/75/46/65/261754665.db2.gz OLVQRMTWKULLEF-KGLIPLIRSA-N 1 0 264.413 3.076 20 10 CGCDRO COc1cc(C[N@H+](C)Cc2cccc(C)c2O)ccc1O ZINC000179665064 261807201 /nfs/dbraw/zinc/80/72/01/261807201.db2.gz HIFWDYPUYYPDNS-UHFFFAOYSA-N 1 0 287.359 3.047 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(Cl)cn2)c1 ZINC000181229496 261889864 /nfs/dbraw/zinc/88/98/64/261889864.db2.gz CQBBBXKYYBKILZ-SNVBAGLBSA-N 1 0 292.766 3.300 20 10 CGCDRO Cc1c([C@@H](C)[NH2+][C@H](C)c2cc(Cl)ccc2O)cnn1C ZINC000185001779 262036409 /nfs/dbraw/zinc/03/64/09/262036409.db2.gz CWOJLBSJIFATIF-NXEZZACHSA-N 1 0 293.798 3.499 20 10 CGCDRO Cc1ccc([C@H](O)C[NH2+][C@H](C)c2ccc(C)cc2O)cc1 ZINC000185099120 262040727 /nfs/dbraw/zinc/04/07/27/262040727.db2.gz INPPXXZOCGFBFM-RDTXWAMCSA-N 1 0 285.387 3.393 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(CO)c(F)c1)c1cc(F)ccc1O ZINC000185121964 262043052 /nfs/dbraw/zinc/04/30/52/262043052.db2.gz CYKYSGUHTOSPNQ-JTQLQIEISA-N 1 0 293.313 3.014 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(CO)c(F)c2)c(O)c1 ZINC000185121804 262043123 /nfs/dbraw/zinc/04/31/23/262043123.db2.gz KIIOXNDCQLJXHF-GFCCVEGCSA-N 1 0 289.350 3.183 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)C2CCCCC2)c1 ZINC000185327818 262050819 /nfs/dbraw/zinc/05/08/19/262050819.db2.gz SJVTUBDKMCOHCK-CXAGYDPISA-N 1 0 277.408 3.292 20 10 CGCDRO Cc1nccn1C[C@@H](C)C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000185347236 262051748 /nfs/dbraw/zinc/05/17/48/262051748.db2.gz IGGXYACRGMAUJZ-NWDGAFQWSA-N 1 0 291.370 3.023 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1cc(Cl)ccc1O ZINC000185531351 262058963 /nfs/dbraw/zinc/05/89/63/262058963.db2.gz FKZVARLNVWZUBU-WDMOLILDSA-N 1 0 283.799 3.247 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCC[C@H]3OCC[C@@H]32)c1 ZINC000185771992 262069872 /nfs/dbraw/zinc/06/98/72/262069872.db2.gz HDADHRVGFRBFOZ-UICACZKSSA-N 1 0 275.392 3.309 20 10 CGCDRO C/C=C/C[C@H](CO)[NH2+][C@@H](CC)c1ccc(N(C)C)cc1 ZINC000186501468 262095360 /nfs/dbraw/zinc/09/53/60/262095360.db2.gz KACPESZYRYIFKT-XUXNBKRGSA-N 1 0 276.424 3.120 20 10 CGCDRO CCc1ccc(C[NH2+]Cc2cc(F)ccc2O)s1 ZINC000226584740 262379589 /nfs/dbraw/zinc/37/95/89/262379589.db2.gz WYKOYIOOZBTGOH-UHFFFAOYSA-N 1 0 265.353 3.445 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)CCCCO)cc1F ZINC000272446247 263004595 /nfs/dbraw/zinc/00/45/95/263004595.db2.gz PBMIWUGDGMRZHI-CQSZACIVSA-N 1 0 296.430 3.313 20 10 CGCDRO CCn1ccnc1[C@@H]1CCCC[N@@H+]1Cc1ccccc1O ZINC000281228441 263067373 /nfs/dbraw/zinc/06/73/73/263067373.db2.gz VNXDZURKQXBBBK-HNNXBMFYSA-N 1 0 285.391 3.336 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H](OC)C2CC2)cc1 ZINC000293866417 263151466 /nfs/dbraw/zinc/15/14/66/263151466.db2.gz ZJCXEGGKIZXBSX-CXAGYDPISA-N 1 0 276.424 3.218 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccccc2O)cc1[N+](=O)[O-] ZINC000135776420 264636642 /nfs/dbraw/zinc/63/66/42/264636642.db2.gz AVEHPSKPHRNLMN-LBPRGKRZSA-N 1 0 286.331 3.460 20 10 CGCDRO Cc1ccc(O)c(C[NH+]2CCC(c3ccccn3)CC2)c1 ZINC000367466808 267092887 /nfs/dbraw/zinc/09/28/87/267092887.db2.gz BNMGMFBKDKWVCC-UHFFFAOYSA-N 1 0 282.387 3.475 20 10 CGCDRO Oc1ccccc1C[NH2+][C@@H]1COc2c1cccc2Cl ZINC000370463732 267320304 /nfs/dbraw/zinc/32/03/04/267320304.db2.gz LRVOTQRSHZXPSR-CYBMUJFWSA-N 1 0 275.735 3.269 20 10 CGCDRO COC[C@@H]([NH2+][C@H](C)c1cc(F)ccc1O)c1ccc(C)o1 ZINC000185631158 327841688 /nfs/dbraw/zinc/84/16/88/327841688.db2.gz QLLCSAQJHHLRHF-BXUZGUMPSA-N 1 0 293.338 3.471 20 10 CGCDRO Cc1cc(O)c(C[N@@H+](C)CCCOC(C)C)cc1C ZINC000265897915 328167052 /nfs/dbraw/zinc/16/70/52/328167052.db2.gz TVWVRAJWTBRBOX-UHFFFAOYSA-N 1 0 265.397 3.256 20 10 CGCDRO COC(C)(C)C[C@H](C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000266128335 328167959 /nfs/dbraw/zinc/16/79/59/328167959.db2.gz CDYCHMXVVOOKFO-LBPRGKRZSA-N 1 0 282.403 3.185 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCC(F)(F)[C@@H](C)C2)c1 ZINC000291532494 328264645 /nfs/dbraw/zinc/26/46/45/328264645.db2.gz KKGZQWTVCZWEFM-NSHDSACASA-N 1 0 255.308 3.178 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCOC[C@H]2c2ccccc2)c1 ZINC000378342676 329046641 /nfs/dbraw/zinc/04/66/41/329046641.db2.gz PZENLGCCXICGSS-KRWDZBQOSA-N 1 0 283.371 3.274 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CCC[C@@H]1c1nccs1 ZINC000378492785 329052767 /nfs/dbraw/zinc/05/27/67/329052767.db2.gz HZCLRXVAGAAHCC-GFCCVEGCSA-N 1 0 260.362 3.186 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CC2CCSCC2)c(O)c1 ZINC000168774503 329061556 /nfs/dbraw/zinc/06/15/56/329061556.db2.gz UBJOIBXNRYQSRN-LBPRGKRZSA-N 1 0 265.422 3.494 20 10 CGCDRO COc1cccc2c1OC[C@H]([NH2+][C@@H](C)c1ccccc1O)C2 ZINC000183488492 329247810 /nfs/dbraw/zinc/24/78/10/329247810.db2.gz MQROFSHDLDPVOA-GXTWGEPZSA-N 1 0 299.370 3.055 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1c1ccccc1)c1ccccc1O ZINC000183630860 329251658 /nfs/dbraw/zinc/25/16/58/329251658.db2.gz YKQYQMHZTVCXFO-POZUXBRTSA-N 1 0 296.414 3.488 20 10 CGCDRO CCC[C@]1(CO)CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000290181864 521319425 /nfs/dbraw/zinc/31/94/25/521319425.db2.gz NVHQNKCAXPHHQQ-HNNXBMFYSA-N 1 0 283.799 3.030 20 10 CGCDRO CCC(O)(CC)C[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000283958949 521656895 /nfs/dbraw/zinc/65/68/95/521656895.db2.gz GATKTYMPFBJKJI-CYBMUJFWSA-N 1 0 265.397 3.211 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CSC1(C)C)c1ccccc1O ZINC000282681505 517828907 /nfs/dbraw/zinc/82/89/07/517828907.db2.gz AAGZPTMEQJWDFB-AAEUAGOBSA-N 1 0 251.395 3.327 20 10 CGCDRO C/C=C/C[C@@H](CO)[NH2+][C@@H](CC)c1ccc(C)cc1O ZINC000280218978 518530283 /nfs/dbraw/zinc/53/02/83/518530283.db2.gz UQMFQZGLSFUSAO-VZFYUFDISA-N 1 0 263.381 3.068 20 10 CGCDRO CC(C)OCCC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000037239619 519764558 /nfs/dbraw/zinc/76/45/58/519764558.db2.gz KIBHDMURRQAZIP-AWEZNQCLSA-N 1 0 264.413 3.218 20 10 CGCDRO CCN(CC)[C@H](C)C[NH2+][C@H](C)c1ccc(C)cc1O ZINC000280075664 520859965 /nfs/dbraw/zinc/85/99/65/520859965.db2.gz LJNVANLUYMADFN-ZIAGYGMSSA-N 1 0 264.413 3.082 20 10 CGCDRO CCN(CC)[C@H](C[NH2+]Cc1ccccc1O)c1ccco1 ZINC000236896473 520865817 /nfs/dbraw/zinc/86/58/17/520865817.db2.gz PHHQCFUWXINTJK-OAHLLOKOSA-N 1 0 288.391 3.158 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)C3)cc1 ZINC000126822789 520894406 /nfs/dbraw/zinc/89/44/06/520894406.db2.gz XRLUZXGBXIMTJE-JWTNVVGKSA-N 1 0 288.435 3.021 20 10 CGCDRO CCC[C@@](C)(O)C[NH2+][C@H](CC)c1ccc(C)cc1O ZINC000280294043 520939152 /nfs/dbraw/zinc/93/91/52/520939152.db2.gz ZKWIDDHPBGIPFJ-GDBMZVCRSA-N 1 0 265.397 3.292 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CCC(F)(F)[C@H](C)C2)c1O ZINC000291562942 521338536 /nfs/dbraw/zinc/33/85/36/521338536.db2.gz NFUPCBSZVOSIJF-LLVKDONJSA-N 1 0 285.334 3.268 20 10 CGCDRO CCC[N@H+](CCc1ccccn1)Cc1ccccc1O ZINC000103479573 521673096 /nfs/dbraw/zinc/67/30/96/521673096.db2.gz UEKKZIKRNLCDMJ-UHFFFAOYSA-N 1 0 270.376 3.242 20 10 CGCDRO CCCN(Cc1ccc(F)nc1C)c1ccc(C[NH3+])cc1 ZINC000278621145 521684254 /nfs/dbraw/zinc/68/42/54/521684254.db2.gz KAXNVILYFKEKBI-UHFFFAOYSA-N 1 0 287.382 3.404 20 10 CGCDRO CCC[N@H+](Cc1cncc(OC)c1)Cc1ccccc1O ZINC000290275726 521691532 /nfs/dbraw/zinc/69/15/32/521691532.db2.gz LTXKAPUUOYAIEL-UHFFFAOYSA-N 1 0 286.375 3.208 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCCC3(CCOCC3)C2)cc1 ZINC000271201106 522175181 /nfs/dbraw/zinc/17/51/81/522175181.db2.gz UKJKSOJCONXWMH-UHFFFAOYSA-N 1 0 288.435 3.145 20 10 CGCDRO COC1(CC[NH2+]Cc2c(O)cccc2Cl)CCC1 ZINC000293123361 522596373 /nfs/dbraw/zinc/59/63/73/522596373.db2.gz ZGXYCWLKOMMXKI-UHFFFAOYSA-N 1 0 269.772 3.094 20 10 CGCDRO CC[C@H]([NH2+]Cc1nccs1)c1ccc(N(C)C)cc1 ZINC000128174608 522670612 /nfs/dbraw/zinc/67/06/12/522670612.db2.gz ZUTZWAUQULTMEQ-AWEZNQCLSA-N 1 0 275.421 3.450 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](CC)COC)c1ccc(C)cc1O ZINC000280149290 522919273 /nfs/dbraw/zinc/91/92/73/522919273.db2.gz QCTHDWBNZIEEIC-GXTWGEPZSA-N 1 0 251.370 3.166 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1ccccc1O ZINC000363699235 522925399 /nfs/dbraw/zinc/92/53/99/522925399.db2.gz VYOGBZRGTKTPMN-ZIAGYGMSSA-N 1 0 271.364 3.234 20 10 CGCDRO COc1ccc(O)c(CNc2ccc(C[NH+](C)C)cc2)c1 ZINC000037141097 524754790 /nfs/dbraw/zinc/75/47/90/524754790.db2.gz QGULCRLGRUORGC-UHFFFAOYSA-N 1 0 286.375 3.075 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H]2c3ccccc3O[C@@H]2C)c1 ZINC000289249067 524756470 /nfs/dbraw/zinc/75/64/70/524756470.db2.gz AWOXLKBHFPCXQH-DIFFPNOSSA-N 1 0 285.343 3.013 20 10 CGCDRO C[C@H]([NH2+]CC1CC(F)(F)C1)c1ccc(N(C)C)cc1 ZINC000293249398 525323128 /nfs/dbraw/zinc/32/31/28/525323128.db2.gz BOTNMCSYUIWIIV-NSHDSACASA-N 1 0 268.351 3.449 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]C[C@@]2(C)CCCS2)c1 ZINC000126494174 525349249 /nfs/dbraw/zinc/34/92/49/525349249.db2.gz RIFHWYDTHOQATA-CQSZACIVSA-N 1 0 251.395 3.076 20 10 CGCDRO Cc1ccccc1[C@@H](O)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297721934 525378424 /nfs/dbraw/zinc/37/84/24/525378424.db2.gz NELZDYIUOHFPAL-RDJZCZTQSA-N 1 0 283.371 3.011 20 10 CGCDRO COc1cccc(C[N@@H+]2CC(C)(C)[C@H]2C2CC2)c1O ZINC000291523994 525931824 /nfs/dbraw/zinc/93/18/24/525931824.db2.gz JKZNHWMVAHLEIG-OAHLLOKOSA-N 1 0 261.365 3.021 20 10 CGCDRO COc1cccc(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)c1O ZINC000127381567 525939136 /nfs/dbraw/zinc/93/91/36/525939136.db2.gz PHKCMDJDUVHSFE-CQSZACIVSA-N 1 0 272.348 3.066 20 10 CGCDRO COc1cccc(CNc2cccc(C[NH+](C)C)c2)c1O ZINC000036979876 526043371 /nfs/dbraw/zinc/04/33/71/526043371.db2.gz DGHHCKVQKNBTHQ-UHFFFAOYSA-N 1 0 286.375 3.075 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]CC[C@H](O)c1ccccc1 ZINC000289416823 526363728 /nfs/dbraw/zinc/36/37/28/526363728.db2.gz INUQRDZPVIHKSY-HNNXBMFYSA-N 1 0 291.778 3.259 20 10 CGCDRO C[C@H](C[NH2+]Cc1ccc(N(C)C)cc1)c1ccncc1 ZINC000749295983 571699979 /nfs/dbraw/zinc/69/99/79/571699979.db2.gz LXUNEUAYOQWJMF-CQSZACIVSA-N 1 0 269.392 3.041 20 10 CGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]1C1CC1)CCC2 ZINC000728562091 571812124 /nfs/dbraw/zinc/81/21/24/571812124.db2.gz FDTJPRCRMUFUAK-MRXNPFEDSA-N 1 0 257.377 3.255 20 10 CGCDRO CN(C)C(C)(C)C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000725841466 572435434 /nfs/dbraw/zinc/43/54/34/572435434.db2.gz JJNWHHHIFNQZTH-UHFFFAOYSA-N 1 0 298.430 3.489 20 10 CGCDRO CCOc1ccc(C[NH2+][C@@H](C)Cc2ccco2)c(O)c1 ZINC000725843885 572436668 /nfs/dbraw/zinc/43/66/68/572436668.db2.gz GTQFBLKVDXRBOM-LBPRGKRZSA-N 1 0 275.348 3.105 20 10 CGCDRO COC[C@@H]([NH2+]Cc1ccc(OC)c(C)c1)c1ccccc1 ZINC000733332341 572558045 /nfs/dbraw/zinc/55/80/45/572558045.db2.gz SXFWJKWCOFOTST-QGZVFWFLSA-N 1 0 285.387 3.481 20 10 CGCDRO COc1cccc(C[NH2+]Cc2c(C)cccc2F)c1O ZINC000742380722 572571467 /nfs/dbraw/zinc/57/14/67/572571467.db2.gz JGFVECHFAKWBQL-UHFFFAOYSA-N 1 0 275.323 3.138 20 10 CGCDRO CCOc1ccc(C[NH2+]C(C)(C)c2nccs2)c(O)c1 ZINC000734850138 572687099 /nfs/dbraw/zinc/68/70/99/572687099.db2.gz QTMDFHFFHRVTEC-UHFFFAOYSA-N 1 0 292.404 3.272 20 10 CGCDRO Cc1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)c(O)c(C(C)(C)C)c1 ZINC000744436128 572752654 /nfs/dbraw/zinc/75/26/54/572752654.db2.gz NVPVTQFTEHXKAL-GASCZTMLSA-N 1 0 289.419 3.361 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](CC)C2CCOCC2)c1 ZINC000746054124 572848591 /nfs/dbraw/zinc/84/85/91/572848591.db2.gz NJXAZLMJKHIYTB-INIZCTEOSA-N 1 0 293.407 3.086 20 10 CGCDRO CCC1([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCC1 ZINC000748099417 572959928 /nfs/dbraw/zinc/95/99/28/572959928.db2.gz VAOAGAFZBMXQOB-UHFFFAOYSA-N 1 0 292.398 3.085 20 10 CGCDRO C[C@H]([NH2+]C[C@@]1(C)CCCC[C@H]1O)c1ccc(N(C)C)cc1 ZINC000247262614 618076397 /nfs/dbraw/zinc/07/63/97/618076397.db2.gz ZHDGOBKVNWXJCU-BMGDILEWSA-N 1 0 290.451 3.344 20 10 CGCDRO C[N@@H+](Cc1cc2c(cc1O)CCCC2)CC1CCOCC1 ZINC000160528456 618085714 /nfs/dbraw/zinc/08/57/14/618085714.db2.gz TXIMCTKOAPXJCD-UHFFFAOYSA-N 1 0 289.419 3.129 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2c(C)noc2C)c1 ZINC000092326812 618179339 /nfs/dbraw/zinc/17/93/39/618179339.db2.gz FSMBPJCCYWQGNM-UWVGGRQHSA-N 1 0 290.363 3.417 20 10 CGCDRO Cc1cc(F)ncc1C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000891397378 618186293 /nfs/dbraw/zinc/18/62/93/618186293.db2.gz NVYKNQVBNZHQQB-UHFFFAOYSA-N 1 0 287.382 3.227 20 10 CGCDRO COCCCC1(C[N@H+](C)Cc2ccccc2O)CCC1 ZINC000891713736 618253544 /nfs/dbraw/zinc/25/35/44/618253544.db2.gz MEYDLTDGOUEOMA-UHFFFAOYSA-N 1 0 277.408 3.421 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]CCCSc2nccs2)[C@H]1C ZINC000309771817 618768506 /nfs/dbraw/zinc/76/85/06/618768506.db2.gz KRCOUCJCLWTOFF-OUAUKWLOSA-N 1 0 256.440 3.259 20 10 CGCDRO C[C@H]1SCC[C@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000309847253 618770749 /nfs/dbraw/zinc/77/07/49/618770749.db2.gz VBSIHJNXFOUNMB-LDYMZIIASA-N 1 0 257.786 3.029 20 10 CGCDRO CCS[C@@H]1CCCC[N@H+](Cc2ccccc2O)C1 ZINC000179574383 618796410 /nfs/dbraw/zinc/79/64/10/618796410.db2.gz SJVLKKRRVGPSRA-CQSZACIVSA-N 1 0 265.422 3.500 20 10 CGCDRO CN(C)c1ccc(C[N@H+](CCO)C2CCCCC2)cc1F ZINC000155130235 618832888 /nfs/dbraw/zinc/83/28/88/618832888.db2.gz ZLAULORCQPLKJL-UHFFFAOYSA-N 1 0 294.414 3.019 20 10 CGCDRO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000892522028 618843413 /nfs/dbraw/zinc/84/34/13/618843413.db2.gz NGOQMSHWGKVPHA-JSGCOSHPSA-N 1 0 293.407 3.468 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCC(F)(F)C1)c1cc(F)ccc1O ZINC000310948122 619101125 /nfs/dbraw/zinc/10/11/25/619101125.db2.gz LIUIOQPJXJNLKQ-WPRPVWTQSA-N 1 0 259.271 3.370 20 10 CGCDRO CC[C@H](C[C@@H](C)CO)[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000776220682 619117395 /nfs/dbraw/zinc/11/73/95/619117395.db2.gz YRTLAMYAPHXNGH-QMTHXVAHSA-N 1 0 285.815 3.241 20 10 CGCDRO CC[C@@H]([NH2+]CCCOC(F)F)c1ccc(N(C)C)cc1 ZINC000194036589 619136263 /nfs/dbraw/zinc/13/62/63/619136263.db2.gz ULZGFOWDVXPTIE-CQSZACIVSA-N 1 0 286.366 3.423 20 10 CGCDRO CCOC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000313478128 619173568 /nfs/dbraw/zinc/17/35/68/619173568.db2.gz CATQAAGTBIGALS-AWEZNQCLSA-N 1 0 283.799 3.437 20 10 CGCDRO CCOC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000313478129 619173865 /nfs/dbraw/zinc/17/38/65/619173865.db2.gz CATQAAGTBIGALS-CQSZACIVSA-N 1 0 283.799 3.437 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)N2CCC(C)CC2)c(O)c1 ZINC000185227491 625324961 /nfs/dbraw/zinc/32/49/61/625324961.db2.gz GDJRIWAHMNTUNO-HZPDHXFCSA-N 1 0 290.451 3.472 20 10 CGCDRO CC[C@@H]([NH2+]CCc1cscn1)c1ccc(N(C)C)cc1 ZINC000178471285 619211394 /nfs/dbraw/zinc/21/13/94/619211394.db2.gz HYGMFBZDPIRUQT-MRXNPFEDSA-N 1 0 289.448 3.493 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000840928282 619220872 /nfs/dbraw/zinc/22/08/72/619220872.db2.gz NVTCOYNMIRSRNL-UHFFFAOYSA-N 1 0 298.386 3.080 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccc([C@@H](C)O)cc1 ZINC000840930299 619224550 /nfs/dbraw/zinc/22/45/50/619224550.db2.gz IZRTUGXSCXMLKZ-OAHLLOKOSA-N 1 0 298.430 3.404 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000840940060 619232039 /nfs/dbraw/zinc/23/20/39/619232039.db2.gz TULVDGBBPASEJZ-MRXNPFEDSA-N 1 0 276.424 3.108 20 10 CGCDRO Oc1ccccc1C[NH2+]Cc1cc(Cl)cs1 ZINC000162941653 619233291 /nfs/dbraw/zinc/23/32/91/619233291.db2.gz HAKHQEIJXLOGAI-UHFFFAOYSA-N 1 0 253.754 3.397 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H](C)[C@](C)(OC)C2CC2)c1O ZINC000840962026 619281354 /nfs/dbraw/zinc/28/13/54/619281354.db2.gz ZXXYLRWKJAJMAQ-SJCJKPOMSA-N 1 0 293.407 3.084 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCSC2)c1 ZINC000228554663 619282280 /nfs/dbraw/zinc/28/22/80/619282280.db2.gz SRLJONFYARQJPZ-NEPJUHHUSA-N 1 0 251.395 3.104 20 10 CGCDRO CC(C)[C@H](C[NH2+][C@H](C)c1cc(F)ccc1O)N1CCCC1 ZINC000094616994 619285658 /nfs/dbraw/zinc/28/56/58/619285658.db2.gz IBENWGNNOZDNBN-CJNGLKHVSA-N 1 0 294.414 3.302 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1cccc(Cl)c1[O-] ZINC000925880931 619306670 /nfs/dbraw/zinc/30/66/70/619306670.db2.gz XDPKOMYLURQDCR-SUNKGSAMSA-N 1 0 282.815 3.214 20 10 CGCDRO C[N@H+](CCc1cccs1)Cc1cc(F)cc(F)c1[O-] ZINC000894057712 619361764 /nfs/dbraw/zinc/36/17/64/619361764.db2.gz FLUALQQDCXCXBL-UHFFFAOYSA-N 1 0 283.343 3.406 20 10 CGCDRO CCCN(CCC)c1ccc(C[NH2+][C@@H](CC)CO)cc1 ZINC000236998734 619383969 /nfs/dbraw/zinc/38/39/69/619383969.db2.gz BDGAYQKMKZNSEK-INIZCTEOSA-N 1 0 278.440 3.174 20 10 CGCDRO COCC[N@@H+](Cc1cc(C)cc(C)c1O)CC(C)C ZINC000163975170 619454052 /nfs/dbraw/zinc/45/40/52/619454052.db2.gz GLUBGZPYBYRGGC-UHFFFAOYSA-N 1 0 265.397 3.113 20 10 CGCDRO CCOC1CC(CC[NH2+]Cc2cc(C)cc(OC)c2O)C1 ZINC000894540261 619569229 /nfs/dbraw/zinc/56/92/29/619569229.db2.gz GPBHFTZLGRXTTI-UHFFFAOYSA-N 1 0 293.407 3.004 20 10 CGCDRO COc1ccc(C[N@@H+]2CC(C)(C)[C@@H]2C(C)C)c(O)c1OC ZINC000894607316 619586046 /nfs/dbraw/zinc/58/60/46/619586046.db2.gz YGUZKJRUQFHOLA-INIZCTEOSA-N 1 0 293.407 3.276 20 10 CGCDRO CC[C@H](C)[C@@H](O)C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000185439098 625358684 /nfs/dbraw/zinc/35/86/84/625358684.db2.gz NWCSOEOEZWTGMJ-LXIYXOSZSA-N 1 0 291.435 3.329 20 10 CGCDRO COc1ccc(C[NH2+]C23CCC(CC2)CC3)c(O)c1OC ZINC000894736762 619616851 /nfs/dbraw/zinc/61/68/51/619616851.db2.gz TXBAVIDGXHRWKS-UHFFFAOYSA-N 1 0 291.391 3.222 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CCCc3occc3C2)c1O ZINC000894788021 619636893 /nfs/dbraw/zinc/63/68/93/619636893.db2.gz UZJABHHIYLKGLR-UHFFFAOYSA-N 1 0 287.359 3.251 20 10 CGCDRO COc1cc(C)cc(C[N@H+](C)Cc2occc2C)c1O ZINC000894845542 619650483 /nfs/dbraw/zinc/65/04/83/619650483.db2.gz CDTURZANUGBGGO-UHFFFAOYSA-N 1 0 275.348 3.243 20 10 CGCDRO CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894949886 619687260 /nfs/dbraw/zinc/68/72/60/619687260.db2.gz XMVUYNFWXIFLIN-HUUCEWRRSA-N 1 0 293.407 3.147 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)c1 ZINC000793231090 619709066 /nfs/dbraw/zinc/70/90/66/619709066.db2.gz KSQCIWOKXCKOEH-BXKDBHETSA-N 1 0 289.297 3.174 20 10 CGCDRO COc1cccc(C[NH2+][C@@H](C)Cc2ccccc2F)c1O ZINC000237228898 619738123 /nfs/dbraw/zinc/73/81/23/619738123.db2.gz IVZGWLWTWXLMKB-LBPRGKRZSA-N 1 0 289.350 3.261 20 10 CGCDRO C[C@@H]([NH2+]C1CC2(C1)CO[C@@H](C)C2)c1ccccc1O ZINC000895131108 619744785 /nfs/dbraw/zinc/74/47/85/619744785.db2.gz TXIWIXVMOMKWER-BEBLISSESA-N 1 0 261.365 3.000 20 10 CGCDRO CC(C)C[C@@H](C[NH2+]Cc1cc(Cl)ccc1O)N(C)C ZINC000020201563 619769299 /nfs/dbraw/zinc/76/92/99/619769299.db2.gz UKDMVPSYYJKXRO-AWEZNQCLSA-N 1 0 284.831 3.112 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2C[C@@H]3CCCC[C@@H]32)c1O ZINC000895192743 619775816 /nfs/dbraw/zinc/77/58/16/619775816.db2.gz KYNMLWLCTKXVFQ-JSGCOSHPSA-N 1 0 261.365 3.084 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](c3nccs3)C2)c1 ZINC000895581597 619856152 /nfs/dbraw/zinc/85/61/52/619856152.db2.gz CDJHIXPGCPLIOG-GFCCVEGCSA-N 1 0 274.389 3.147 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]C[C@]1(C)OCCc2ccccc21 ZINC000895639250 619862726 /nfs/dbraw/zinc/86/27/26/619862726.db2.gz LJNIQZBIZDOXOW-IBGZPJMESA-N 1 0 297.398 3.278 20 10 CGCDRO Cc1ccc(C[NH2+]C(C)(C)[C@@H](O)c2ccccc2)c(O)c1 ZINC000895661741 619866518 /nfs/dbraw/zinc/86/65/18/619866518.db2.gz JRFTZRQKKNEUMB-KRWDZBQOSA-N 1 0 285.387 3.302 20 10 CGCDRO Oc1cccc2c1C[N@H+](CCc1ccc(F)c(F)c1)C2 ZINC000895784668 619885631 /nfs/dbraw/zinc/88/56/31/619885631.db2.gz KXNMHXBQDCYLDW-UHFFFAOYSA-N 1 0 275.298 3.229 20 10 CGCDRO Cc1ccc(C[NH2+]C[C@H]2CCC3(CCC3)CO2)c(O)c1 ZINC000895807700 619889255 /nfs/dbraw/zinc/88/92/55/619889255.db2.gz ZEACBIJYPVJUTG-OAHLLOKOSA-N 1 0 275.392 3.140 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]Cc1c(C)cc(CO)cc1C ZINC000896560754 620027308 /nfs/dbraw/zinc/02/73/08/620027308.db2.gz FYRFKOVSSQEKCZ-UHFFFAOYSA-N 1 0 285.387 3.100 20 10 CGCDRO Cc1cccc(C[NH+]2CCC(F)(C3CC3)CC2)c1O ZINC000896945955 620110236 /nfs/dbraw/zinc/11/02/36/620110236.db2.gz JYZOIROCHMLGDO-UHFFFAOYSA-N 1 0 263.356 3.415 20 10 CGCDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000897269894 620175464 /nfs/dbraw/zinc/17/54/64/620175464.db2.gz SENHYWPRSYRHOP-AWEZNQCLSA-N 1 0 293.382 3.170 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CC[C@H](C)C[C@@H]2C)c1 ZINC000226161192 620187785 /nfs/dbraw/zinc/18/77/85/620187785.db2.gz FTQYGOGTQAJVRF-SLEUVZQESA-N 1 0 263.381 3.315 20 10 CGCDRO C[C@H]([NH2+]C[C@@]1(C)CCCO1)c1cc2c(cc1O)CCCC2 ZINC000185679368 625413215 /nfs/dbraw/zinc/41/32/15/625413215.db2.gz HYUIROBEICQJQC-SCLBCKFNSA-N 1 0 289.419 3.491 20 10 CGCDRO CCOc1cccc(C[NH2+]CC(C)(C)C2CC2)c1O ZINC000897443767 620337529 /nfs/dbraw/zinc/33/75/29/620337529.db2.gz ZVDFBBNJLHYSQY-UHFFFAOYSA-N 1 0 263.381 3.317 20 10 CGCDRO CCc1cccc(C[NH2+]C2CC3(C2)CO[C@H](C)C3)c1O ZINC000897775775 620427662 /nfs/dbraw/zinc/42/76/62/620427662.db2.gz HQCLPBXXITUARV-OLJMKKDRSA-N 1 0 275.392 3.002 20 10 CGCDRO Oc1cccc(Cl)c1CN1CCC([NH2+]C2CCC2)CC1 ZINC000897980613 620461292 /nfs/dbraw/zinc/46/12/92/620461292.db2.gz ACTKUNTWJVTQRN-UHFFFAOYSA-N 1 0 294.826 3.152 20 10 CGCDRO Oc1ccccc1C[NH2+]CC[C@@H]1CCC(F)(F)C1 ZINC000898019865 620467696 /nfs/dbraw/zinc/46/76/96/620467696.db2.gz UPRCLZJAANUSPT-NSHDSACASA-N 1 0 255.308 3.307 20 10 CGCDRO COc1cccc(C[NH2+][C@@H]2CCCc3cc(N)ccc32)c1O ZINC000841058975 620548050 /nfs/dbraw/zinc/54/80/50/620548050.db2.gz YALIBKFYWKTZBO-MRXNPFEDSA-N 1 0 298.386 3.150 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@H]2CCS[C@@H](C)C2)c1O ZINC000927025626 620564089 /nfs/dbraw/zinc/56/40/89/620564089.db2.gz CYVORSHDSOCQPH-SRVKXCTJSA-N 1 0 281.421 3.336 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2ccc3c(c2)CCCN3)c1 ZINC000841069877 620626721 /nfs/dbraw/zinc/62/67/21/620626721.db2.gz GQLLCXWHOQMCPC-UHFFFAOYSA-N 1 0 282.387 3.349 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1N)c1ccc(C)cc1O ZINC000902429892 621315056 /nfs/dbraw/zinc/31/50/56/621315056.db2.gz BDGRRSUTMYGXAO-ZHALLVOQSA-N 1 0 296.414 3.366 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cc(N(C)C)ccn2)c(O)c1 ZINC000903199092 621624060 /nfs/dbraw/zinc/62/40/60/621624060.db2.gz TUSYLSZRGHCNIJ-CYBMUJFWSA-N 1 0 285.391 3.012 20 10 CGCDRO CC(C)(C[NH2+][C@@H]1CCc2cccc(O)c21)C1CCOCC1 ZINC000903243951 621636429 /nfs/dbraw/zinc/63/64/29/621636429.db2.gz LCYIYSZFVNRGEK-OAHLLOKOSA-N 1 0 289.419 3.422 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@H]2CC[C@H](C3CC3)O2)c1O ZINC000903251646 621641612 /nfs/dbraw/zinc/64/16/12/621641612.db2.gz JMIFPAHSAIYWRA-NJZAAPMLSA-N 1 0 291.391 3.009 20 10 CGCDRO C[C@H]1C[C@@H]([NH2+][C@@H]2CCO[C@H]2C2CC2)c2c1c(F)ccc2O ZINC000903265575 621643855 /nfs/dbraw/zinc/64/38/55/621643855.db2.gz NPUVQVMCFXSBIQ-HZENRHAPSA-N 1 0 291.366 3.237 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+][C@H]1CCOC13CCCCC3)CC2 ZINC000903269318 621655995 /nfs/dbraw/zinc/65/59/95/621655995.db2.gz VQCIBABDEQBYDD-HOCLYGCPSA-N 1 0 287.403 3.461 20 10 CGCDRO C[C@@H]([NH2+]C[C@](C)(O)c1cccc(F)c1)c1ccccc1O ZINC000903307331 621680403 /nfs/dbraw/zinc/68/04/03/621680403.db2.gz CQCJMQJABHHUIU-PXAZEXFGSA-N 1 0 289.350 3.090 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)c2cncs2)c1O ZINC000903310496 621682672 /nfs/dbraw/zinc/68/26/72/621682672.db2.gz JWYYBDYZDGMCFA-ZJUUUORDSA-N 1 0 278.377 3.269 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(CCO)cc1)c1ccc(C)cc1O ZINC000903402976 621740597 /nfs/dbraw/zinc/74/05/97/621740597.db2.gz JSEPOMZUPRGMHG-SFHVURJKSA-N 1 0 299.414 3.476 20 10 CGCDRO C[NH+]1CCN(c2ccc(/C=C/c3nccs3)cc2)CC1 ZINC000905073956 622037057 /nfs/dbraw/zinc/03/70/57/622037057.db2.gz VHXWNNAUSCYXFS-QPJJXVBHSA-N 1 0 285.416 3.065 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2CCC[C@@H]2c2ccnn2C)cc1C ZINC000905742619 622104018 /nfs/dbraw/zinc/10/40/18/622104018.db2.gz SKIDQJOQEPTJKJ-MRXNPFEDSA-N 1 0 285.391 3.080 20 10 CGCDRO C[C@@H]([NH2+]CCC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000163561941 622333030 /nfs/dbraw/zinc/33/30/30/622333030.db2.gz BFZLSGJDRFQXLK-CYBMUJFWSA-N 1 0 292.423 3.135 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](C(C)(C)C)C2)c1 ZINC000163861715 622806043 /nfs/dbraw/zinc/80/60/43/622806043.db2.gz OOHNXUGNXVOGTF-ZDUSSCGKSA-N 1 0 263.381 3.269 20 10 CGCDRO COc1cc(C)cc(C[N@H+](C)CCc2cccs2)c1O ZINC000164421403 622834604 /nfs/dbraw/zinc/83/46/04/622834604.db2.gz JYRNKULZXIMMSN-UHFFFAOYSA-N 1 0 291.416 3.445 20 10 CGCDRO CCN(CC)C[C@H](C)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000045692644 622886914 /nfs/dbraw/zinc/88/69/14/622886914.db2.gz ZQTMTPDLEKTORK-LSDHHAIUSA-N 1 0 277.456 3.134 20 10 CGCDRO CCC[C@](C)(O)C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000226252426 622956194 /nfs/dbraw/zinc/95/61/94/622956194.db2.gz SXIMWLFBVZDHKY-SFHVURJKSA-N 1 0 290.451 3.318 20 10 CGCDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2cc(F)ccc2O)[C@@H]1C ZINC000226582749 622983425 /nfs/dbraw/zinc/98/34/25/622983425.db2.gz KCBMRKRVNUINQT-JTNHKYCSSA-N 1 0 251.345 3.446 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000226582057 622984429 /nfs/dbraw/zinc/98/44/29/622984429.db2.gz SDYSTGAXBNRELY-UHFFFAOYSA-N 1 0 297.276 3.423 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCCCS2)c1 ZINC000157983353 622990401 /nfs/dbraw/zinc/99/04/01/622990401.db2.gz ILZWULVEZDSKLM-DGCLKSJQSA-N 1 0 281.421 3.337 20 10 CGCDRO C[C@H]1CCC[C@@H](C[NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000227439752 623019519 /nfs/dbraw/zinc/01/95/19/623019519.db2.gz AJZGYUKRTLRCAV-NWDGAFQWSA-N 1 0 277.364 3.037 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1[O-] ZINC000062747655 623267236 /nfs/dbraw/zinc/26/72/36/623267236.db2.gz CSNCAWUKTCIVFW-SNVBAGLBSA-N 1 0 290.294 3.290 20 10 CGCDRO C[C@H]1CCC[N@@H+]1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000173525939 623329638 /nfs/dbraw/zinc/32/96/38/623329638.db2.gz LDJQFXHGMWOZDB-NSHDSACASA-N 1 0 263.381 3.380 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)CC(F)(F)F)c1 ZINC000231791111 623343337 /nfs/dbraw/zinc/34/33/37/623343337.db2.gz IESOXQPCJYHXJH-RKDXNWHRSA-N 1 0 277.286 3.392 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)CC(F)(F)F)c1 ZINC000231791114 623343618 /nfs/dbraw/zinc/34/36/18/623343618.db2.gz IESOXQPCJYHXJH-BDAKNGLRSA-N 1 0 277.286 3.392 20 10 CGCDRO COc1ccc(CNC[C@H](C(C)C)[NH+]2CCCC2)cc1C ZINC000035258574 623423724 /nfs/dbraw/zinc/42/37/24/623423724.db2.gz DWLSGCAZCQBDEJ-QGZVFWFLSA-N 1 0 290.451 3.214 20 10 CGCDRO CCOc1ccc(C[NH2+][C@H]2CC23CCCC3)c(O)c1 ZINC000758523771 623509095 /nfs/dbraw/zinc/50/90/95/623509095.db2.gz FSZKUEKJVXHFTF-HNNXBMFYSA-N 1 0 261.365 3.213 20 10 CGCDRO Cc1cc(O)c(C[N@H+](C)C[C@@H]2CCCO2)cc1C(C)C ZINC000151745428 623562467 /nfs/dbraw/zinc/56/24/67/623562467.db2.gz UYAASCAZWIPPGV-HNNXBMFYSA-N 1 0 277.408 3.435 20 10 CGCDRO CC[C@H]([NH2+]Cc1cc(Cl)cc(OC)c1O)C1CC1 ZINC000324107745 623568657 /nfs/dbraw/zinc/56/86/57/623568657.db2.gz DLLJECRJWKANOW-LBPRGKRZSA-N 1 0 269.772 3.332 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCN(CC)CC)cc1 ZINC000152781021 623712951 /nfs/dbraw/zinc/71/29/51/623712951.db2.gz PSLKQXUSPHCJGG-OAHLLOKOSA-N 1 0 277.456 3.135 20 10 CGCDRO CC[C@@H]1CCCC[N@@H+]1Cc1cc(C)cc(OC)c1O ZINC000915790352 624029031 /nfs/dbraw/zinc/02/90/31/624029031.db2.gz SXMTVRLUURQUOI-CQSZACIVSA-N 1 0 263.381 3.474 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCSC)cc1 ZINC000154751382 624362091 /nfs/dbraw/zinc/36/20/91/624362091.db2.gz ABTKSFIJMUXKLY-GFCCVEGCSA-N 1 0 252.427 3.156 20 10 CGCDRO CC[C@@H]([NH2+]CCN1CCCC[C@@H]1C)c1ccccc1O ZINC000155163400 624439768 /nfs/dbraw/zinc/43/97/68/624439768.db2.gz UTHZTVGZXLLLSY-GOEBONIOSA-N 1 0 276.424 3.307 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)c1ccccc1O ZINC000179892389 624693529 /nfs/dbraw/zinc/69/35/29/624693529.db2.gz ALXKSSHFPLUDHC-CQSZACIVSA-N 1 0 293.370 3.429 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CCC[C@H](C)CC2)c1O ZINC000179949780 624701196 /nfs/dbraw/zinc/70/11/96/624701196.db2.gz PHJISHOZNVGCOB-ZDUSSCGKSA-N 1 0 263.381 3.413 20 10 CGCDRO CCC[N@@H+](Cc1cccc(C)c1O)C[C@H]1CCCCO1 ZINC000180068476 624715212 /nfs/dbraw/zinc/71/52/12/624715212.db2.gz IJPSEKTYEAJNQX-MRXNPFEDSA-N 1 0 277.408 3.482 20 10 CGCDRO COc1ccc(O)c(C[NH+]2C[C@@H]3CCCC[C@H]3C2)c1 ZINC000180273888 624731142 /nfs/dbraw/zinc/73/11/42/624731142.db2.gz QYSPJENPPMJOGB-STQMWFEESA-N 1 0 261.365 3.023 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCO[C@H](Cc3ccccc3)C2)c1O ZINC000181924400 624912862 /nfs/dbraw/zinc/91/28/62/624912862.db2.gz JODPMHJWNKRMFI-GOSISDBHSA-N 1 0 297.398 3.144 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2nc(C)c(C)s2)c1 ZINC000182371168 624992285 /nfs/dbraw/zinc/99/22/85/624992285.db2.gz OBMSZLNXZWFSLB-JTQLQIEISA-N 1 0 292.404 3.325 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccccc2C#N)c1 ZINC000182409323 624997684 /nfs/dbraw/zinc/99/76/84/624997684.db2.gz UYWLCFGBBQXJRU-LBPRGKRZSA-N 1 0 282.343 3.123 20 10 CGCDRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000124573146 634428286 /nfs/dbraw/zinc/42/82/86/634428286.db2.gz GFZVNZNTYVLOJA-HZMBPMFUSA-N 1 0 279.355 3.497 20 10 CGCDRO CCn1nc(C)c(C[NH2+]Cc2ccc3c(c2)CCCO3)c1C ZINC000921672547 625816870 /nfs/dbraw/zinc/81/68/70/625816870.db2.gz ULJVEGUHQPHSLN-UHFFFAOYSA-N 1 0 299.418 3.135 20 10 CGCDRO C[C@H](Cc1ccncc1)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921818570 625888583 /nfs/dbraw/zinc/88/85/83/625888583.db2.gz QDXFBQDGEFEXRB-CQSZACIVSA-N 1 0 282.387 3.127 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1ccc[nH]1 ZINC000921938018 625937383 /nfs/dbraw/zinc/93/73/83/625937383.db2.gz COCKCUMBQNDABX-GFCCVEGCSA-N 1 0 256.349 3.191 20 10 CGCDRO C[C@@H](C[NH2+]Cc1ccc2c(c1)CCCO2)CC(F)F ZINC000922209996 625984040 /nfs/dbraw/zinc/98/40/40/625984040.db2.gz VSVITDADHDDVQJ-LLVKDONJSA-N 1 0 269.335 3.393 20 10 CGCDRO C[C@H]([NH2+]Cc1cnn(C2CCC2)c1)c1ccccc1O ZINC000922329722 625998781 /nfs/dbraw/zinc/99/87/81/625998781.db2.gz QBJAAVPJCYVQPC-LBPRGKRZSA-N 1 0 271.364 3.165 20 10 CGCDRO COc1cccc(C[NH2+]C(C)(C)/C=C\Cl)c1O ZINC000922649847 626026369 /nfs/dbraw/zinc/02/63/69/626026369.db2.gz ZOHVOCAYEOYWFZ-FPLPWBNLSA-N 1 0 255.745 3.022 20 10 CGCDRO Oc1ccccc1C[NH2+][C@@H]1CCSC2(CCC2)C1 ZINC000922845004 626058178 /nfs/dbraw/zinc/05/81/78/626058178.db2.gz JVBIRKLCDFTFFU-CYBMUJFWSA-N 1 0 263.406 3.300 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H]2CCCc3cccnc32)c1O ZINC000922880942 626062180 /nfs/dbraw/zinc/06/21/80/626062180.db2.gz FZDBEPMGRGYUOB-OAHLLOKOSA-N 1 0 298.386 3.353 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@]2(C)CCOC2)c(O)c1C ZINC000756575850 626098275 /nfs/dbraw/zinc/09/82/75/626098275.db2.gz QQNJSOVNHWGXPT-CZUORRHYSA-N 1 0 263.381 3.086 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]Cc2cccc3c2OCC3)c1 ZINC000922945443 626104453 /nfs/dbraw/zinc/10/44/53/626104453.db2.gz XUMJCVNQEYIEBA-UHFFFAOYSA-N 1 0 299.370 3.016 20 10 CGCDRO C[N@H+](CCOCC1CCCC1)Cc1ccccc1O ZINC000838896717 626281348 /nfs/dbraw/zinc/28/13/48/626281348.db2.gz YLMOVKBUOJRTOR-UHFFFAOYSA-N 1 0 263.381 3.031 20 10 CGCDRO COc1ccc(O)c(C[NH+]2CC(Cc3ccccc3C)C2)c1 ZINC000839131486 626321408 /nfs/dbraw/zinc/32/14/08/626321408.db2.gz LQAWRAWDKGJQRG-UHFFFAOYSA-N 1 0 297.398 3.384 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH+]2CC3(CC(F)C3)C2)cc1 ZINC000839139410 626322496 /nfs/dbraw/zinc/32/24/96/626322496.db2.gz GEHYLMFEQWTUOU-ARJAWSKDSA-N 1 0 274.383 3.200 20 10 CGCDRO COC1CCC([NH2+]Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000839171402 626324924 /nfs/dbraw/zinc/32/49/24/626324924.db2.gz DOCKQWROCYZXPU-UHFFFAOYSA-N 1 0 287.762 3.232 20 10 CGCDRO CO[C@@H]1C[C@@H]([NH2+]Cc2cc(C)c(C)cc2O)C12CCC2 ZINC000839180509 626326632 /nfs/dbraw/zinc/32/66/32/626326632.db2.gz DOZJHOFEBWHOTK-HZPDHXFCSA-N 1 0 275.392 3.056 20 10 CGCDRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000839191364 626328529 /nfs/dbraw/zinc/32/85/29/626328529.db2.gz IKKXNJCTYXIZPA-MSOLQXFVSA-N 1 0 288.435 3.334 20 10 CGCDRO Oc1c(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)ccc2ccccc21 ZINC000839192589 626329087 /nfs/dbraw/zinc/32/90/87/626329087.db2.gz VMXUTKMOSQHTKE-WBVHZDCISA-N 1 0 283.371 3.156 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+](C)C[C@@H](C)C(=O)OC(C)(C)C)c1 ZINC000839192568 626329224 /nfs/dbraw/zinc/32/92/24/626329224.db2.gz LBKZPCKHKWVKAB-CYBMUJFWSA-N 1 0 293.407 3.110 20 10 CGCDRO COc1cccc(O)c1C[N@H+](C)C[C@@H]1CC=CCC1 ZINC000753577355 626456504 /nfs/dbraw/zinc/45/65/04/626456504.db2.gz SVBBYKNTZZZJCM-CYBMUJFWSA-N 1 0 261.365 3.189 20 10 CGCDRO Cc1cc(C[N@H+]2CCOC[C@@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000753983498 626470598 /nfs/dbraw/zinc/47/05/98/626470598.db2.gz CSUZEIVSMAPNIB-AWEZNQCLSA-N 1 0 291.435 3.466 20 10 CGCDRO C[C@](CO)([NH2+]Cc1cc(-c2ccccc2)ccc1O)C1CC1 ZINC000754048608 626473215 /nfs/dbraw/zinc/47/32/15/626473215.db2.gz SDVVRTYKHHXNDK-LJQANCHMSA-N 1 0 297.398 3.310 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@]3(CCCOC3)C2)c1 ZINC000754737725 626585572 /nfs/dbraw/zinc/58/55/72/626585572.db2.gz UTMMULGQCUZQAB-SFHVURJKSA-N 1 0 289.419 3.402 20 10 CGCDRO CCN1CCC[C@@H]1C[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756357740 626695700 /nfs/dbraw/zinc/69/57/00/626695700.db2.gz PGKJZBLDRRMWGA-OUCADQQQSA-N 1 0 292.398 3.154 20 10 CGCDRO C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1cc(F)cc(F)c1[O-] ZINC000756363251 626697144 /nfs/dbraw/zinc/69/71/44/626697144.db2.gz PRWIRWNBKKZYMS-LBPRGKRZSA-N 1 0 298.377 3.197 20 10 CGCDRO C[C@H]([NH2+]CCOc1ccc(F)cc1)c1cc(F)ccc1O ZINC000756465649 626707760 /nfs/dbraw/zinc/70/77/60/626707760.db2.gz KGWMYNIEMSFWSO-NSHDSACASA-N 1 0 293.313 3.400 20 10 CGCDRO CCC(O)(CC)C[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756498583 626709865 /nfs/dbraw/zinc/70/98/65/626709865.db2.gz XWHOIBRSMFWZTN-JQWIXIFHSA-N 1 0 281.371 3.220 20 10 CGCDRO COCCOCCCC[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000756517105 626711346 /nfs/dbraw/zinc/71/13/46/626711346.db2.gz NCZJKKZMVRCGDA-OAHLLOKOSA-N 1 0 295.423 3.103 20 10 CGCDRO C[C@@H](C[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F)N(C)C1CC1 ZINC000756551822 626713940 /nfs/dbraw/zinc/71/39/40/626713940.db2.gz XZTVYBXLJCZSRD-UHIISALHSA-N 1 0 292.398 3.152 20 10 CGCDRO CCC[C@](C)(O)C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756574915 626717053 /nfs/dbraw/zinc/71/70/53/626717053.db2.gz HGZVFXGZNMPALY-XAGWURHQSA-N 1 0 281.371 3.220 20 10 CGCDRO CC[C@H](C)[C@@H](O)C[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000756576382 626717569 /nfs/dbraw/zinc/71/75/69/626717569.db2.gz TWXZJVAZYXTUEN-ZBINZKHDSA-N 1 0 265.397 3.067 20 10 CGCDRO CSCCC[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756584367 626718105 /nfs/dbraw/zinc/71/81/05/626718105.db2.gz FJCDNJIXGMUVED-ONGXEEELSA-N 1 0 269.385 3.422 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]CCN2CCC[C@H]2C)c2c1c(F)ccc2O ZINC000756616049 626720520 /nfs/dbraw/zinc/72/05/20/626720520.db2.gz HDIWPSSHMBWGFE-YRGRVCCFSA-N 1 0 292.398 3.154 20 10 CGCDRO CC[C@H](C[C@@H](C)CO)[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000756624229 626721067 /nfs/dbraw/zinc/72/10/67/626721067.db2.gz DYGKPMYINIAGDZ-HZSPNIEDSA-N 1 0 265.397 3.148 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]CC(C)(C)CCO)c2c1c(F)ccc2O ZINC000756619910 626721488 /nfs/dbraw/zinc/72/14/88/626721488.db2.gz ZAXYZZQJHJGKMV-PWSUYJOCSA-N 1 0 281.371 3.078 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)Cc2ccncc2)c1 ZINC000756634132 626722053 /nfs/dbraw/zinc/72/20/53/626722053.db2.gz LWGQUWQSOXQYDT-OLZOCXBDSA-N 1 0 286.375 3.078 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCNc2ccccc2)c(O)c1 ZINC000756642380 626723432 /nfs/dbraw/zinc/72/34/32/626723432.db2.gz NJFUAFSQRDMUFH-AWEZNQCLSA-N 1 0 270.376 3.463 20 10 CGCDRO CC[C@H](CCO)C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756646385 626724192 /nfs/dbraw/zinc/72/41/92/626724192.db2.gz MSHVZUFPITZICH-WZRBSPASSA-N 1 0 281.371 3.078 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(F)cn2)c1 ZINC000756657111 626725102 /nfs/dbraw/zinc/72/51/02/626725102.db2.gz AHMLAPIYPIEZIL-LLVKDONJSA-N 1 0 260.312 3.086 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)CC2CCOCC2)c1 ZINC000756736972 626728669 /nfs/dbraw/zinc/72/86/69/626728669.db2.gz QQXNMRBOKGVKLP-CHWSQXEVSA-N 1 0 293.407 3.257 20 10 CGCDRO CC[C@@H](O)CCC[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000756736682 626728700 /nfs/dbraw/zinc/72/87/00/626728700.db2.gz CGBBGLYUYDFPCG-CMPLNLGQSA-N 1 0 271.788 3.247 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)CC2CCOCC2)c1 ZINC000756736974 626728946 /nfs/dbraw/zinc/72/89/46/626728946.db2.gz QQXNMRBOKGVKLP-QWHCGFSZSA-N 1 0 293.407 3.257 20 10 CGCDRO C[C@@H]([NH2+][C@@H](CO)CC1CC1)c1cc2c(cc1O)CCCC2 ZINC000756770160 626730692 /nfs/dbraw/zinc/73/06/92/626730692.db2.gz UHXTYKKSZBJYRA-MLGOLLRUSA-N 1 0 289.419 3.083 20 10 CGCDRO CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756785289 626732160 /nfs/dbraw/zinc/73/21/60/626732160.db2.gz CJZDCHGIKNGMBZ-IMSIIYSGSA-N 1 0 285.334 3.136 20 10 CGCDRO c1cc(C[NH2+]CC23CCC(CC2)C3)cc2c1OCC2 ZINC000756989151 626745402 /nfs/dbraw/zinc/74/54/02/626745402.db2.gz HMSZZEMDIRZEHK-UHFFFAOYSA-N 1 0 257.377 3.291 20 10 CGCDRO COc1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)c(F)c1 ZINC000758485635 626845848 /nfs/dbraw/zinc/84/58/48/626845848.db2.gz APPXOONPBISKGO-UHFFFAOYSA-N 1 0 287.334 3.059 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CC(C)(C)[C@@H]2CCCCO2)cc1 ZINC000758496125 626846375 /nfs/dbraw/zinc/84/63/75/626846375.db2.gz ARAMDEWKZFLIJQ-KRWDZBQOSA-N 1 0 290.451 3.438 20 10 CGCDRO CC(C)(C[NH2+]Cc1ccccc1O)[C@@H]1CCCCO1 ZINC000758499804 626846461 /nfs/dbraw/zinc/84/64/61/626846461.db2.gz VEDNRVFDIMJFBS-HNNXBMFYSA-N 1 0 263.381 3.077 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)C[C@@H](C)OC)cc1F ZINC000809717402 626859134 /nfs/dbraw/zinc/85/91/34/626859134.db2.gz HPSUAHGLIZSOLT-CYBMUJFWSA-N 1 0 282.403 3.139 20 10 CGCDRO Cc1ccc(C(C)(C)[NH2+]Cc2ccc(N(C)C)cc2)cn1 ZINC000759186879 626879060 /nfs/dbraw/zinc/87/90/60/626879060.db2.gz UTGCLLFAJYEOOC-UHFFFAOYSA-N 1 0 283.419 3.481 20 10 CGCDRO CC(C)N(CC[NH+]1CCCC1)Cc1ccc(N(C)C)cc1 ZINC000760820982 626993969 /nfs/dbraw/zinc/99/39/69/626993969.db2.gz YJMDDONTGQSFTK-UHFFFAOYSA-N 1 0 289.467 3.059 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CC[C@H](C)C(C)(C)C1 ZINC000761227081 627027029 /nfs/dbraw/zinc/02/70/29/627027029.db2.gz XLNKLLMBYIXFMX-LBPRGKRZSA-N 1 0 263.381 3.269 20 10 CGCDRO CCOc1ccc(C[NH2+]C2CCC(F)(F)CC2)c(O)c1 ZINC000761337324 627034128 /nfs/dbraw/zinc/03/41/28/627034128.db2.gz SOIDCRVILJTHMG-UHFFFAOYSA-N 1 0 285.334 3.458 20 10 CGCDRO CC[C@@H]([NH2+]CC[C@H]1CCCO1)c1ccc(N(C)C)cc1 ZINC000764838738 627228498 /nfs/dbraw/zinc/22/84/98/627228498.db2.gz DZXRXVHWDZTEMM-IAGOWNOFSA-N 1 0 276.424 3.362 20 10 CGCDRO CC[C@@H]([NH2+][C@H]1CCN(C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000765779949 627270228 /nfs/dbraw/zinc/27/02/28/627270228.db2.gz CYEXIBNPEUJKTH-MAUKXSAKSA-N 1 0 287.451 3.030 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCNc2ccccn2)cc1 ZINC000766140993 627298742 /nfs/dbraw/zinc/29/87/42/627298742.db2.gz BTSKCHRQFLVBML-HNNXBMFYSA-N 1 0 298.434 3.300 20 10 CGCDRO Cc1nccn1CC[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000766241203 627306338 /nfs/dbraw/zinc/30/63/38/627306338.db2.gz CQSRLLVJAWNSTG-UHFFFAOYSA-N 1 0 299.418 3.342 20 10 CGCDRO CC[C@H]([NH2+]CCN1CCC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000766274897 627311327 /nfs/dbraw/zinc/31/13/27/627311327.db2.gz WTRYBUBVTCUAJH-YJBOKZPZSA-N 1 0 289.467 3.278 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2c(O)ccc3ccncc32)C[C@@H]1C ZINC000766375146 627324501 /nfs/dbraw/zinc/32/45/01/627324501.db2.gz RMJZWWZWNZJPLE-OLZOCXBDSA-N 1 0 270.376 3.418 20 10 CGCDRO C[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000768139525 627462820 /nfs/dbraw/zinc/46/28/20/627462820.db2.gz QWTWOYJIMSYICV-GFCCVEGCSA-N 1 0 250.361 3.124 20 10 CGCDRO C[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)C1CCCC1 ZINC000768215074 627468996 /nfs/dbraw/zinc/46/89/96/627468996.db2.gz XECMASDTEPLIOP-UHFFFAOYSA-N 1 0 292.398 3.037 20 10 CGCDRO CC[C@@H]1C[N@H+](Cc2ccc(N(CC)CC)cc2)CCO1 ZINC000768236591 627470329 /nfs/dbraw/zinc/47/03/29/627470329.db2.gz GWEQNZVHRFHXSE-QGZVFWFLSA-N 1 0 276.424 3.144 20 10 CGCDRO COc1cc(O)c(C[N@H+](CC2CC2)C(C)C)cc1OC ZINC000768439909 627480067 /nfs/dbraw/zinc/48/00/67/627480067.db2.gz PHTQDGWUVNZCGG-UHFFFAOYSA-N 1 0 279.380 3.030 20 10 CGCDRO COc1cc(C[N@@H+]2CCC[C@@H](C)CC2)c(O)cc1C ZINC000768446610 627480868 /nfs/dbraw/zinc/48/08/68/627480868.db2.gz ZDRQIAOYKUFXKL-GFCCVEGCSA-N 1 0 263.381 3.331 20 10 CGCDRO CC[N@H+](CCc1ccccn1)Cc1cc(C)c(C)cc1O ZINC000769032723 627518791 /nfs/dbraw/zinc/51/87/91/627518791.db2.gz FYMVXUADBRCMFD-UHFFFAOYSA-N 1 0 284.403 3.469 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)CCCOC)cc1F ZINC000769140397 627525531 /nfs/dbraw/zinc/52/55/31/627525531.db2.gz OHIHIHBPMXJTAB-UHFFFAOYSA-N 1 0 282.403 3.140 20 10 CGCDRO CCOc1ccc(C[N@H+](CC)Cc2ccoc2)c(O)c1 ZINC000769297538 627537494 /nfs/dbraw/zinc/53/74/94/627537494.db2.gz BINYIXHSHJPZAC-UHFFFAOYSA-N 1 0 275.348 3.406 20 10 CGCDRO CC[N@H+](Cc1ccoc1)Cc1c(O)cccc1OC ZINC000769298890 627537554 /nfs/dbraw/zinc/53/75/54/627537554.db2.gz KTNVGRABGDRBPI-UHFFFAOYSA-N 1 0 261.321 3.016 20 10 CGCDRO COc1cccc(O)c1C[N@H+](C)Cc1ccc(C)s1 ZINC000769316603 627539809 /nfs/dbraw/zinc/53/98/09/627539809.db2.gz KMASVXLABBWBIY-UHFFFAOYSA-N 1 0 277.389 3.403 20 10 CGCDRO CCC[N@H+](Cc1cc(Cl)ccc1O)CC(C)(C)O ZINC000769326198 627541728 /nfs/dbraw/zinc/54/17/28/627541728.db2.gz FVUZXWCCOIUERP-UHFFFAOYSA-N 1 0 271.788 3.029 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CC[C@H](CC(C)C)C1 ZINC000769403353 627549511 /nfs/dbraw/zinc/54/95/11/627549511.db2.gz RBFKLXMKSHPROU-CYBMUJFWSA-N 1 0 263.381 3.269 20 10 CGCDRO COc1cccc(O)c1C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000769425084 627550926 /nfs/dbraw/zinc/55/09/26/627550926.db2.gz CQBGKTNKAFNJSR-BETUJISGSA-N 1 0 261.365 3.023 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCc3cccc(F)c3C2)cc1 ZINC000769435894 627552314 /nfs/dbraw/zinc/55/23/14/627552314.db2.gz UUPMFFLIRJYAHJ-UHFFFAOYSA-N 1 0 284.378 3.450 20 10 CGCDRO CCc1noc(C)c1[C@@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000769874904 627586250 /nfs/dbraw/zinc/58/62/50/627586250.db2.gz QQDPXVJBIWXOIJ-LLVKDONJSA-N 1 0 286.375 3.331 20 10 CGCDRO Cc1cc(O)c(C[NH2+]Cc2ccc3c(c2)COC3)cc1C ZINC000769926907 627590486 /nfs/dbraw/zinc/59/04/86/627590486.db2.gz CUKBCXARFSAFMA-UHFFFAOYSA-N 1 0 283.371 3.329 20 10 CGCDRO CC(C)[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000770306244 627612697 /nfs/dbraw/zinc/61/26/97/627612697.db2.gz LOPWHUHCXXUWSZ-QGZVFWFLSA-N 1 0 288.435 3.001 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000772598121 627805636 /nfs/dbraw/zinc/80/56/36/627805636.db2.gz HPSHGBRONSCKHT-AWEZNQCLSA-N 1 0 272.348 3.066 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H](n3ccnc3)C2)cc1 ZINC000773758815 627912254 /nfs/dbraw/zinc/91/22/54/627912254.db2.gz UWLQFWUXOIGDBD-GOSISDBHSA-N 1 0 298.434 3.176 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCOCC[C@@H]2C)cc1C(C)C ZINC000774660785 628013572 /nfs/dbraw/zinc/01/35/72/628013572.db2.gz PUHDTMLFISPYIT-AWEZNQCLSA-N 1 0 277.408 3.435 20 10 CGCDRO CCN(C(=O)C[NH2+][C@@H](C)c1ccccc1O)c1ccccc1 ZINC000775130559 628066064 /nfs/dbraw/zinc/06/60/64/628066064.db2.gz LSKHIJLLVZOKQB-AWEZNQCLSA-N 1 0 298.386 3.096 20 10 CGCDRO COc1ccccc1OCC[NH2+][C@@H](C)c1ccccc1O ZINC000775135123 628066939 /nfs/dbraw/zinc/06/69/39/628066939.db2.gz FEENZUHSUKFSPC-ZDUSSCGKSA-N 1 0 287.359 3.130 20 10 CGCDRO CC(C)n1ccc(C[NH2+][C@H](C)c2ccccc2O)n1 ZINC000775136528 628066982 /nfs/dbraw/zinc/06/69/82/628066982.db2.gz KQRVUIZMOKZGBU-GFCCVEGCSA-N 1 0 259.353 3.020 20 10 CGCDRO CC[C@H]([NH2+]C[C@H](CO)Cc1ccccc1)c1ccccc1O ZINC000775488125 628099618 /nfs/dbraw/zinc/09/96/18/628099618.db2.gz HTCTUPLKDJKFLJ-AEFFLSMTSA-N 1 0 299.414 3.284 20 10 CGCDRO CC[C@@H]([NH2+]CCc1nc(C)no1)c1cc(Cl)ccc1O ZINC000775519889 628103444 /nfs/dbraw/zinc/10/34/44/628103444.db2.gz TWTWCLHSUIWSBQ-GFCCVEGCSA-N 1 0 295.770 3.020 20 10 CGCDRO CC[C@@H]([NH2+]CC1(CO)CCC1)c1cc(Cl)ccc1O ZINC000775550733 628105617 /nfs/dbraw/zinc/10/56/17/628105617.db2.gz AEZWHGFVXKEPPU-CYBMUJFWSA-N 1 0 283.799 3.249 20 10 CGCDRO CC[C@@H]([NH2+]CCOCC1CCC1)c1ccccc1O ZINC000775555462 628106551 /nfs/dbraw/zinc/10/65/51/628106551.db2.gz NCGLHKUNQXYYNH-OAHLLOKOSA-N 1 0 263.381 3.250 20 10 CGCDRO CC[C@]1(C)CCC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000775701570 628127673 /nfs/dbraw/zinc/12/76/73/628127673.db2.gz SPXRZXWAWIFEAU-MRXNPFEDSA-N 1 0 263.381 3.413 20 10 CGCDRO CC[C@@H]([NH2+]CCOC1CCC1)c1ccc(N(C)C)cc1 ZINC000777122220 628250645 /nfs/dbraw/zinc/25/06/45/628250645.db2.gz UEPPXPNARULEAS-QGZVFWFLSA-N 1 0 276.424 3.362 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCO[C@@H](C(C)C)C1 ZINC000777436240 628270295 /nfs/dbraw/zinc/27/02/95/628270295.db2.gz NRUJXUYCQKIVTI-SJLPKXTDSA-N 1 0 290.451 3.354 20 10 CGCDRO C[C@H]1CC[N@H+](Cc2cc3c(cc2O)CCCC3)C[C@@H]1F ZINC000777965496 628316577 /nfs/dbraw/zinc/31/65/77/628316577.db2.gz WWJVYIRTJAKYMR-LRDDRELGSA-N 1 0 277.383 3.451 20 10 CGCDRO C[C@H]1CC[N@H+](Cc2c(O)ccc3ccncc32)C[C@@H]1F ZINC000777965512 628316749 /nfs/dbraw/zinc/31/67/49/628316749.db2.gz WZKIOESJEZUMBD-NHYWBVRUSA-N 1 0 274.339 3.120 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccc(Cl)cn2)cc1 ZINC000778214880 628334845 /nfs/dbraw/zinc/33/48/45/628334845.db2.gz XDMMLASDJWSZLF-UHFFFAOYSA-N 1 0 289.810 3.433 20 10 CGCDRO Oc1cccc(Cl)c1C[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000779189992 628393408 /nfs/dbraw/zinc/39/34/08/628393408.db2.gz VDSQWCGZTGQMQI-ZDUSSCGKSA-N 1 0 295.810 3.437 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)ccc2O)CC[C@@H]1O ZINC000779199141 628393877 /nfs/dbraw/zinc/39/38/77/628393877.db2.gz UWQDSZXCFDFVDE-KDOFPFPSSA-N 1 0 297.398 3.262 20 10 CGCDRO COCC1(C)CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000779605826 628418065 /nfs/dbraw/zinc/41/80/65/628418065.db2.gz HBPWZEUZEFWMCC-UHFFFAOYSA-N 1 0 276.424 3.001 20 10 CGCDRO COc1ccc(C[NH2+]C[C@@]2(O)CCCC(C)(C)C2)cc1C ZINC000782534400 628653058 /nfs/dbraw/zinc/65/30/58/628653058.db2.gz BTCVVBFJKTYCEG-GOSISDBHSA-N 1 0 291.435 3.425 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2C[C@@H](C)CC(C)(C)C2)cc1OC ZINC000784006172 628765077 /nfs/dbraw/zinc/76/50/77/628765077.db2.gz DEGTXKCOFNUYGR-LBPRGKRZSA-N 1 0 293.407 3.277 20 10 CGCDRO COc1cccc(O)c1C[NH2+]C[C@@H](SC)C(C)(C)C ZINC000784624867 628825714 /nfs/dbraw/zinc/82/57/14/628825714.db2.gz AVDIITAFEVXFGR-CQSZACIVSA-N 1 0 283.437 3.268 20 10 CGCDRO COCC[C@H](Cc1ccco1)[NH2+]Cc1cc(C)ccc1O ZINC000784625755 628825797 /nfs/dbraw/zinc/82/57/97/628825797.db2.gz NNPUUDWEJLPVDJ-OAHLLOKOSA-N 1 0 289.375 3.031 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C(C)(C)C2CCOCC2)cc1F ZINC000785611503 628874519 /nfs/dbraw/zinc/87/45/19/628874519.db2.gz QGDIWSKCVMYRSM-UHFFFAOYSA-N 1 0 294.414 3.187 20 10 CGCDRO Cc1cc(Cl)cc(C[N@H+]2CC[C@H](C)C[C@@H]2[C@@H](C)O)c1O ZINC000785986806 628905933 /nfs/dbraw/zinc/90/59/33/628905933.db2.gz DOZNERVFTXHMDS-JVLSTEMRSA-N 1 0 297.826 3.335 20 10 CGCDRO COCC[N@H+](Cc1ccc(N(C)C)cc1)[C@H]1CC[C@H](C)C1 ZINC000792192131 629347226 /nfs/dbraw/zinc/34/72/26/629347226.db2.gz DMHYNSICWAYVBD-YJBOKZPZSA-N 1 0 290.451 3.390 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CCCC(F)(F)CC1 ZINC000862467469 629382205 /nfs/dbraw/zinc/38/22/05/629382205.db2.gz WGDXREKRTXKIGH-UHFFFAOYSA-N 1 0 271.307 3.022 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)c(O)c1 ZINC000862473681 629383847 /nfs/dbraw/zinc/38/38/47/629383847.db2.gz XKBUOGUJKADXOV-CABCVRRESA-N 1 0 293.432 3.261 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCCCF)c1 ZINC000792874344 629389464 /nfs/dbraw/zinc/38/94/64/629389464.db2.gz FKFQERYNGAERFV-LLVKDONJSA-N 1 0 255.333 3.191 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCc3c(O)cccc3C2)cc1C ZINC000862529021 629391317 /nfs/dbraw/zinc/39/13/17/629391317.db2.gz HCYKWPMKPZSKBA-UHFFFAOYSA-N 1 0 283.371 3.273 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccnn1C(C)C ZINC000792977788 629398662 /nfs/dbraw/zinc/39/86/62/629398662.db2.gz OHYGUNWNBAPREY-UHFFFAOYSA-N 1 0 286.423 3.128 20 10 CGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@H](C)[C@@H]1CCCOC1 ZINC000793192752 629425709 /nfs/dbraw/zinc/42/57/09/629425709.db2.gz RSZJXMDXZXWYNG-GDBMZVCRSA-N 1 0 276.424 3.177 20 10 CGCDRO Cc1ccc(O)c(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)c1 ZINC000793230942 629433154 /nfs/dbraw/zinc/43/31/54/629433154.db2.gz IVJYURNYUYKVGP-JQWIXIFHSA-N 1 0 273.298 3.473 20 10 CGCDRO COCCC1([NH2+]Cc2cc(Cl)cc(C)c2O)CCC1 ZINC000793328400 629444111 /nfs/dbraw/zinc/44/41/11/629444111.db2.gz CJYWOYIYGQXBNU-UHFFFAOYSA-N 1 0 283.799 3.403 20 10 CGCDRO CCOc1ccc(C[NH2+]C[C@@H]2CC[C@@H](C)C2)c(O)c1 ZINC000793347245 629445587 /nfs/dbraw/zinc/44/55/87/629445587.db2.gz RFWQFMBPTWRFBC-CHWSQXEVSA-N 1 0 263.381 3.317 20 10 CGCDRO COc1ccc(C[NH2+]Cc2cnc(C3CC3)s2)c(O)c1 ZINC000793389097 629452627 /nfs/dbraw/zinc/45/26/27/629452627.db2.gz VNWGBHGMWHWKDP-UHFFFAOYSA-N 1 0 290.388 3.025 20 10 CGCDRO COc1ccc(C[NH2+]Cc2ccc3cnccc3c2)c(O)c1 ZINC000793388772 629452685 /nfs/dbraw/zinc/45/26/85/629452685.db2.gz ISMXWRDQSBYJJZ-UHFFFAOYSA-N 1 0 294.354 3.239 20 10 CGCDRO COc1ccc(O)c(C[N@H+](CC2CC2)C2CCC2)c1 ZINC000793397475 629454664 /nfs/dbraw/zinc/45/46/64/629454664.db2.gz XHHCSGGTFJZEMI-UHFFFAOYSA-N 1 0 261.365 3.165 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H](C1CC1)N(C)C)c1ccc(C)cc1O ZINC000794797431 629578551 /nfs/dbraw/zinc/57/85/51/629578551.db2.gz NJUMSPMIEBYRGN-HZPDHXFCSA-N 1 0 276.424 3.082 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@](C)(O)C(C)C)c1ccc(C)cc1O ZINC000794806327 629580333 /nfs/dbraw/zinc/58/03/33/629580333.db2.gz HJZIUWUQAUAPML-GDBMZVCRSA-N 1 0 265.397 3.148 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+][C@H](CO)CC2CCC2)c2c1c(F)ccc2O ZINC000794833878 629585064 /nfs/dbraw/zinc/58/50/64/629585064.db2.gz MIPGTCWZWZPKOA-OSMZGAPFSA-N 1 0 293.382 3.220 20 10 CGCDRO CCn1ncnc1C[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000794841608 629586970 /nfs/dbraw/zinc/58/69/70/629586970.db2.gz NHUOCGPDKPRVRS-LBPRGKRZSA-N 1 0 296.374 3.008 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)N[C@H]2CC[NH2+]C23CCC3)cc1 ZINC000863541925 629602430 /nfs/dbraw/zinc/60/24/30/629602430.db2.gz NBDQBRGQLLSOKX-PBHICJAKSA-N 1 0 287.451 3.078 20 10 CGCDRO CN(C)c1cc(F)c(C[NH2+][C@]23C[C@H]2CCCC3)cc1F ZINC000864050326 629741387 /nfs/dbraw/zinc/74/13/87/629741387.db2.gz CPVXPSZBVRRAAZ-MLGOLLRUSA-N 1 0 280.362 3.453 20 10 CGCDRO CS[C@H]1C[C@H]([NH2+]Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000864054212 629749473 /nfs/dbraw/zinc/74/94/73/629749473.db2.gz UJHWZMCPCVQEDG-XYPYZODXSA-N 1 0 286.391 3.014 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000015028508 629801189 /nfs/dbraw/zinc/80/11/89/629801189.db2.gz FPAORRNUMLAJNJ-UHFFFAOYSA-N 1 0 299.374 3.293 20 10 CGCDRO CC[C@H]([NH2+]CCC[NH+](CC)CC)c1ccc(F)cc1[O-] ZINC000796662935 629812170 /nfs/dbraw/zinc/81/21/70/629812170.db2.gz JAOSDXFKYZUDKT-HNNXBMFYSA-N 1 0 282.403 3.304 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CSC[C@@H]2C)c(O)c1C ZINC000797067301 629881452 /nfs/dbraw/zinc/88/14/52/629881452.db2.gz YTESOZCYYBSDQJ-JKOKRWQUSA-N 1 0 265.422 3.411 20 10 CGCDRO CCCN1CCC[C@H]1C[NH2+][C@H](CC)c1ccccc1O ZINC000797114722 629890447 /nfs/dbraw/zinc/89/04/47/629890447.db2.gz KJBUOSBUMSLVKD-GOEBONIOSA-N 1 0 276.424 3.307 20 10 CGCDRO CCOc1ccc(O)c(C[N@H+]2CC(C)=C[C@@H](C)C2)c1 ZINC000797604799 629970039 /nfs/dbraw/zinc/97/00/39/629970039.db2.gz ITGRRRDICWWXOH-GFCCVEGCSA-N 1 0 261.365 3.189 20 10 CGCDRO OC[C@@H](C[NH2+]Cc1cc(Cl)ccc1O)CC1CCCC1 ZINC000798503929 630060441 /nfs/dbraw/zinc/06/04/41/630060441.db2.gz QKMQEJOPUSCBEK-CYBMUJFWSA-N 1 0 297.826 3.324 20 10 CGCDRO CC[C@H]1C[N@H+](Cc2cc(C)c(C)cc2O)CCCO1 ZINC000798965256 630132217 /nfs/dbraw/zinc/13/22/17/630132217.db2.gz VJPXPWCQOWSTTM-HNNXBMFYSA-N 1 0 263.381 3.010 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]CC[C@@H]2CCSC2)c1 ZINC000865654194 630254666 /nfs/dbraw/zinc/25/46/66/630254666.db2.gz GVUOLXIITLUFTF-GFCCVEGCSA-N 1 0 281.421 3.024 20 10 CGCDRO CCOc1ccc(C[NH2+]CCCSCC)c(O)c1 ZINC000800281800 630260458 /nfs/dbraw/zinc/26/04/58/630260458.db2.gz FQDRXLXZVCHDIX-UHFFFAOYSA-N 1 0 269.410 3.024 20 10 CGCDRO Cc1cc(C)cc([C@@H](O)C[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000800896243 630309783 /nfs/dbraw/zinc/30/97/83/630309783.db2.gz DIYJSRXJALXKDX-SFHVURJKSA-N 1 0 297.398 3.062 20 10 CGCDRO C[C@@H]1C[C@@H](CC[NH2+]Cc2ccc3c(c2)CCO3)C[C@H](C)O1 ZINC000801732617 630354197 /nfs/dbraw/zinc/35/41/97/630354197.db2.gz QZLKKYFGCOZQKR-QDMKHBRRSA-N 1 0 289.419 3.305 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H]2CCCC[C@@H]2F)c1O ZINC000865698521 630386658 /nfs/dbraw/zinc/38/66/58/630386658.db2.gz BWKIDMWSLAFKBZ-QWHCGFSZSA-N 1 0 267.344 3.161 20 10 CGCDRO CC[C@@H]1CC[C@@H]1[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000806134060 630545911 /nfs/dbraw/zinc/54/59/11/630545911.db2.gz UQEROTZZBJTLFW-DAYGRLMNSA-N 1 0 288.435 3.362 20 10 CGCDRO c1csc(SCCC[NH2+][C@H]2CC[C@@H]2C2CC2)n1 ZINC000806140038 630547524 /nfs/dbraw/zinc/54/75/24/630547524.db2.gz FYIMOVQCQOSMTM-NEPJUHHUSA-N 1 0 268.451 3.404 20 10 CGCDRO C[C@H]([NH2+]CCN(C)C)c1ccc(N2CCCCCC2)cc1 ZINC000806171503 630553008 /nfs/dbraw/zinc/55/30/08/630553008.db2.gz MGMNCOGBUCFCIV-INIZCTEOSA-N 1 0 289.467 3.279 20 10 CGCDRO CO[C@@H]1CC[N@H+](Cc2cc3c(cc2O)CCCC3)C[C@@H]1C ZINC000840124111 630605365 /nfs/dbraw/zinc/60/53/65/630605365.db2.gz NTUCLIMZFBNPCC-SCLBCKFNSA-N 1 0 289.419 3.128 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CC(C)(C)N(C)C)c1O ZINC000808672283 630662457 /nfs/dbraw/zinc/66/24/57/630662457.db2.gz ILHCUYVFCUJFQI-NSHDSACASA-N 1 0 284.831 3.345 20 10 CGCDRO COC(C)(C)C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808703269 630667227 /nfs/dbraw/zinc/66/72/27/630667227.db2.gz VNAWOAJTSCTTAJ-JTQLQIEISA-N 1 0 271.788 3.430 20 10 CGCDRO CO[C@@H](C)C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808715076 630669483 /nfs/dbraw/zinc/66/94/83/630669483.db2.gz HZIGZKPKSZYVQI-UWVGGRQHSA-N 1 0 257.761 3.040 20 10 CGCDRO CCC[N@H+](CC)C[C@H](C)NCc1ccc(OC)c(C)c1 ZINC000810180885 630851195 /nfs/dbraw/zinc/85/11/95/630851195.db2.gz PHHKGJPCSUUNHN-HNNXBMFYSA-N 1 0 278.440 3.214 20 10 CGCDRO CC(C)N(C)C[C@@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000810253706 630859817 /nfs/dbraw/zinc/85/98/17/630859817.db2.gz AZXFUFFQUGYMGE-NEPJUHHUSA-N 1 0 284.831 3.425 20 10 CGCDRO CC[C@H]([NH2+]CCc1cccnc1OC)c1ccccc1O ZINC000810260364 630861269 /nfs/dbraw/zinc/86/12/69/630861269.db2.gz JTUPVBHJXFXWEI-HNNXBMFYSA-N 1 0 286.375 3.079 20 10 CGCDRO COCC1(CC[NH2+][C@H](C)c2ccc(C)cc2O)CC1 ZINC000842890980 635506169 /nfs/dbraw/zinc/50/61/69/635506169.db2.gz OYDXEHTYJUHHIJ-CYBMUJFWSA-N 1 0 263.381 3.168 20 10 CGCDRO Cc1cccc(C[N@@H+]2CC3(CCC3)[C@@H]2C2CC2)c1O ZINC000811513941 631081318 /nfs/dbraw/zinc/08/13/18/631081318.db2.gz WVKCUXULJSNVEP-INIZCTEOSA-N 1 0 257.377 3.465 20 10 CGCDRO CO[C@](C)(C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)C1CC1 ZINC000812734023 631299127 /nfs/dbraw/zinc/29/91/27/631299127.db2.gz FVUAYXKYIBVQGY-ANTHHZPCSA-N 1 0 293.382 3.484 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)c(O)c1 ZINC000876513051 634849868 /nfs/dbraw/zinc/84/98/68/634849868.db2.gz GOXWUNHJIYKNBP-HNNXBMFYSA-N 1 0 256.349 3.366 20 10 CGCDRO CC[N@H+](CCC[C@H]1CCO1)Cc1ccc(N(C)C)cc1 ZINC000876522450 634851116 /nfs/dbraw/zinc/85/11/16/634851116.db2.gz REECMOHFIFXOPR-KRWDZBQOSA-N 1 0 276.424 3.144 20 10 CGCDRO COc1cccc(O)c1C[N@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000814177411 631537894 /nfs/dbraw/zinc/53/78/94/631537894.db2.gz AYOMIDRMZRLBDN-ZDUSSCGKSA-N 1 0 299.370 3.184 20 10 CGCDRO Cc1ccoc1C[N@@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000814175006 631538638 /nfs/dbraw/zinc/53/86/38/631538638.db2.gz OLFNTWSSWMBUCO-UHFFFAOYSA-N 1 0 276.355 3.425 20 10 CGCDRO CC[N@H+](Cc1ccncc1)Cc1ccc(N(C)C)c(C)c1 ZINC000815081300 631712193 /nfs/dbraw/zinc/71/21/93/631712193.db2.gz YNBVHLSRKYOWSI-UHFFFAOYSA-N 1 0 283.419 3.478 20 10 CGCDRO Cc1cc(C[NH+]2CCC3(CC3)CC2)ccc1N(C)C ZINC000815079773 631712402 /nfs/dbraw/zinc/71/24/02/631712402.db2.gz VMAMQLLFMUFZNW-UHFFFAOYSA-N 1 0 258.409 3.437 20 10 CGCDRO Cc1cc(C[N@@H+]2CCO[C@H](C(C)(C)C)C2)ccc1N(C)C ZINC000815101791 631718121 /nfs/dbraw/zinc/71/81/21/631718121.db2.gz CFDSRTWHCNUOTK-KRWDZBQOSA-N 1 0 290.451 3.308 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@]2(O)CCCC2(C)C)cc1C ZINC000815146345 631730165 /nfs/dbraw/zinc/73/01/65/631730165.db2.gz FNDZZPPWDPKDBA-KRWDZBQOSA-N 1 0 277.408 3.040 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@H](CO)C2CCCCC2)cc1C ZINC000815151068 631731587 /nfs/dbraw/zinc/73/15/87/631731587.db2.gz UBOUBJPXNPHVLG-QGZVFWFLSA-N 1 0 291.435 3.287 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H](CO)C1CCCCC1)c1cc(F)ccc1O ZINC000815648630 631812377 /nfs/dbraw/zinc/81/23/77/631812377.db2.gz SKGWZPOYQRFZRS-OCCSQVGLSA-N 1 0 295.398 3.371 20 10 CGCDRO Oc1c(C[N@@H+]2CCN3CCCC[C@@H]3C2)ccc2ccccc21 ZINC000816498045 631993447 /nfs/dbraw/zinc/99/34/47/631993447.db2.gz DLKDKQBUXTTXNE-QGZVFWFLSA-N 1 0 296.414 3.216 20 10 CGCDRO Oc1c(C[N@@H+]2CCO[C@H](C3CC3)C2)ccc2ccccc21 ZINC000816574174 632015687 /nfs/dbraw/zinc/01/56/87/632015687.db2.gz ZENTZYBXKGDOCC-KRWDZBQOSA-N 1 0 283.371 3.156 20 10 CGCDRO C[N@H+](CCCCCO)Cc1ccc2ccccc2c1O ZINC000816594220 632019654 /nfs/dbraw/zinc/01/96/54/632019654.db2.gz UGJUMFFIGYUHFC-UHFFFAOYSA-N 1 0 273.376 3.140 20 10 CGCDRO C[N@H+](Cc1ccc2ccccc2c1O)[C@@H]1CCCOC1 ZINC000816608118 632023640 /nfs/dbraw/zinc/02/36/40/632023640.db2.gz POFVJXLFGKHTRA-OAHLLOKOSA-N 1 0 271.360 3.156 20 10 CGCDRO COC1(CC[NH2+]Cc2cc(Cl)cc(C)c2O)CCC1 ZINC000816638802 632028436 /nfs/dbraw/zinc/02/84/36/632028436.db2.gz YFZFLKYKGIPJJN-UHFFFAOYSA-N 1 0 283.799 3.403 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]Cc2cc(C)nc(C)c2)c1 ZINC000817410272 632140715 /nfs/dbraw/zinc/14/07/15/632140715.db2.gz KOMSYZRJSYMNOB-UHFFFAOYSA-N 1 0 286.375 3.093 20 10 CGCDRO CC[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cc(F)ccc2O)CCO1 ZINC000817584945 632190912 /nfs/dbraw/zinc/19/09/12/632190912.db2.gz BFQAJKYYEKOLGI-WCFLWFBJSA-N 1 0 267.344 3.140 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCc2ccc(N)cc2)cc1[N+](=O)[O-] ZINC000817955610 632250329 /nfs/dbraw/zinc/25/03/29/632250329.db2.gz COIJTLODADGLJT-ZDUSSCGKSA-N 1 0 299.374 3.379 20 10 CGCDRO CCc1nc(C)c([C@@H](C)[NH2+]CCc2ccc(N)cc2)s1 ZINC000817956220 632251230 /nfs/dbraw/zinc/25/12/30/632251230.db2.gz UGURIIJDMNTSEP-LLVKDONJSA-N 1 0 289.448 3.489 20 10 CGCDRO Nc1ccc(CC[NH2+][C@H]2CCCc3ccccc3C2)cc1 ZINC000817958104 632253530 /nfs/dbraw/zinc/25/35/30/632253530.db2.gz SBRRDEZGAZYVOL-IBGZPJMESA-N 1 0 280.415 3.349 20 10 CGCDRO CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817958398 632253833 /nfs/dbraw/zinc/25/38/33/632253833.db2.gz JHJVPYHJBDFQNO-KWQFWETISA-N 1 0 291.222 3.333 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1cc(Cl)c(Cl)cc1[O-] ZINC000817977823 632268512 /nfs/dbraw/zinc/26/85/12/632268512.db2.gz PYJPMJTUEFATEA-DTWKUNHWSA-N 1 0 291.222 3.477 20 10 CGCDRO C[C@H](c1ccncc1)N1CCCc2cc(C[NH3+])ccc21 ZINC000844220618 635833576 /nfs/dbraw/zinc/83/35/76/635833576.db2.gz ZEYKKCQSXAVYOW-CYBMUJFWSA-N 1 0 267.376 3.054 20 10 CGCDRO CC(C)([NH2+]Cc1ccc2c(c1)CCO2)[C@H]1CCCCO1 ZINC000865744714 632875476 /nfs/dbraw/zinc/87/54/76/632875476.db2.gz AXYFBTOHASIAQZ-MRXNPFEDSA-N 1 0 275.392 3.059 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCc3c2cccc3O)c1 ZINC000105486541 635866189 /nfs/dbraw/zinc/86/61/89/635866189.db2.gz NMQJKVPNYFBWGW-INIZCTEOSA-N 1 0 299.370 3.274 20 10 CGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@@H]1CC[C@@H]1SC ZINC000822476370 632939355 /nfs/dbraw/zinc/93/93/55/632939355.db2.gz LZTYJQBEEZKGNG-CABCVRRESA-N 1 0 264.438 3.256 20 10 CGCDRO COc1cc(Cl)cc(C[NH+]2CC(CC(F)F)C2)c1O ZINC000822521268 632959479 /nfs/dbraw/zinc/95/94/79/632959479.db2.gz ZTTUJFLSLQAUHP-UHFFFAOYSA-N 1 0 291.725 3.141 20 10 CGCDRO Oc1c(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)ccc2ccccc21 ZINC000822540046 632965866 /nfs/dbraw/zinc/96/58/66/632965866.db2.gz UYGVOYJJSRTPHE-QDMKHBRRSA-N 1 0 253.345 3.434 20 10 CGCDRO CCC[C@H](CCO)[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000866414208 633127272 /nfs/dbraw/zinc/12/72/72/633127272.db2.gz AFUVHAKIGONQPX-LOWVWBTDSA-N 1 0 281.371 3.220 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCCC[C@@H]2F)c1O ZINC000866452204 633142685 /nfs/dbraw/zinc/14/26/85/633142685.db2.gz YUPSUBQNSKNOIQ-KGYLQXTDSA-N 1 0 267.344 3.332 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)c1ccnn1C)c1ccc(N(C)C)cc1 ZINC000866612379 633212653 /nfs/dbraw/zinc/21/26/53/633212653.db2.gz HPJZEGFWQXFJTD-BBRMVZONSA-N 1 0 286.423 3.288 20 10 CGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@H]1CCO[C@@H](CC)C1 ZINC000824291122 633224381 /nfs/dbraw/zinc/22/43/81/633224381.db2.gz ACFFVBBTVGPISG-IRXDYDNUSA-N 1 0 276.424 3.319 20 10 CGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@@H]1CCO[C@@H](CC)C1 ZINC000824291125 633224440 /nfs/dbraw/zinc/22/44/40/633224440.db2.gz ACFFVBBTVGPISG-SJORKVTESA-N 1 0 276.424 3.319 20 10 CGCDRO C[C@@H](CCO)CC[NH2+]Cc1ccc2ccccc2c1O ZINC000824516618 633251993 /nfs/dbraw/zinc/25/19/93/633251993.db2.gz MQZGCTUGMURHFG-CYBMUJFWSA-N 1 0 273.376 3.044 20 10 CGCDRO c1cc(N2CCCCC2)ccc1C[NH+]1CC2(CC2)C1 ZINC000824532982 633255265 /nfs/dbraw/zinc/25/52/65/633255265.db2.gz ADHZZHGQMZJPQI-UHFFFAOYSA-N 1 0 256.393 3.273 20 10 CGCDRO CCC[C@H](C[NH2+]Cc1ccc2ccccc2c1O)OC ZINC000824543169 633256711 /nfs/dbraw/zinc/25/67/11/633256711.db2.gz FSGRBVJOKWZAJU-OAHLLOKOSA-N 1 0 273.376 3.450 20 10 CGCDRO CC[C@@H](C)[C@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)OC ZINC000824596178 633263402 /nfs/dbraw/zinc/26/34/02/633263402.db2.gz GGYYZLDDICFRFU-WBMJQRKESA-N 1 0 282.403 3.042 20 10 CGCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]CC1=CCOCC1 ZINC000824596339 633263410 /nfs/dbraw/zinc/26/34/10/633263410.db2.gz IAPVCUNMGWBMLD-UHFFFAOYSA-N 1 0 295.382 3.496 20 10 CGCDRO Cc1cc(O)c(CN(C)Cc2cscn2)cc1Cl ZINC000824627075 633265558 /nfs/dbraw/zinc/26/55/58/633265558.db2.gz HLSWCLMPMUENAN-UHFFFAOYSA-N 1 0 282.796 3.443 20 10 CGCDRO CCOc1ccc(C[NH2+]Cc2cc(C)cs2)c(O)c1 ZINC000824751458 633283123 /nfs/dbraw/zinc/28/31/23/633283123.db2.gz XLJRILDMEBHIJJ-UHFFFAOYSA-N 1 0 277.389 3.451 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]C[C@H]2CCO[C@@H](C(C)C)C2)c1 ZINC000824800451 633292452 /nfs/dbraw/zinc/29/24/52/633292452.db2.gz XXTIWWXYFDNWIF-WMLDXEAASA-N 1 0 277.408 3.241 20 10 CGCDRO CO[C@H]1CC[N@H+](Cc2ccc3ccccc3c2O)C[C@H]1C ZINC000824820935 633297842 /nfs/dbraw/zinc/29/78/42/633297842.db2.gz RCRBGGUYUOLQQJ-DYVFJYSZSA-N 1 0 285.387 3.402 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)cc1Cl ZINC000824895604 633302994 /nfs/dbraw/zinc/30/29/94/633302994.db2.gz ZZFNBCYEAIMAKT-CHWSQXEVSA-N 1 0 295.810 3.212 20 10 CGCDRO Oc1ccccc1C[NH2+]C1(Cc2ccc(F)cc2)CC1 ZINC000825016352 633317910 /nfs/dbraw/zinc/31/79/10/633317910.db2.gz BMBAZDHHOZTZSS-UHFFFAOYSA-N 1 0 271.335 3.396 20 10 CGCDRO COc1cccnc1C[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000825249859 633339679 /nfs/dbraw/zinc/33/96/79/633339679.db2.gz PRHRBXDUIKASQB-UHFFFAOYSA-N 1 0 292.766 3.047 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H](CO)c2ccccc2)cc1Cl ZINC000825278718 633341619 /nfs/dbraw/zinc/34/16/19/633341619.db2.gz OYDWBXKFRXKXJO-HNNXBMFYSA-N 1 0 291.778 3.177 20 10 CGCDRO CC(C)N1CC[C@@H]([N@H+](C)Cc2c(O)ccc3ccccc32)C1 ZINC000825331676 633346884 /nfs/dbraw/zinc/34/68/84/633346884.db2.gz LAVOHAUDBKHJGU-MRXNPFEDSA-N 1 0 298.430 3.460 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@]2(C)CCCO2)cc1Cl ZINC000825358645 633348376 /nfs/dbraw/zinc/34/83/76/633348376.db2.gz UEHOKGGOJGFQDE-CQSZACIVSA-N 1 0 269.772 3.013 20 10 CGCDRO CCCN(Cc1ccnn1CC1CC1)c1ccc(C[NH3+])cc1 ZINC000825710112 633376585 /nfs/dbraw/zinc/37/65/85/633376585.db2.gz GMNYWIMSLANGSD-UHFFFAOYSA-N 1 0 298.434 3.168 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)cc1Cl ZINC000826143039 633407780 /nfs/dbraw/zinc/40/77/80/633407780.db2.gz RBGNCEYZUQOADO-AOOOYVTPSA-N 1 0 273.710 3.051 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CCc3ccc(C)cc3C2)c1 ZINC000826910988 633443262 /nfs/dbraw/zinc/44/32/62/633443262.db2.gz QKKWXVASZINGJA-UHFFFAOYSA-N 1 0 283.371 3.268 20 10 CGCDRO COc1cccc(O)c1C[NH+]1CC(Cc2ccc(C)cc2)C1 ZINC000827322240 633481983 /nfs/dbraw/zinc/48/19/83/633481983.db2.gz VCYWPWNRPYFCSG-UHFFFAOYSA-N 1 0 297.398 3.384 20 10 CGCDRO Cc1cccc(C[NH+]2CCC([C@@H]3CCCCO3)CC2)c1O ZINC000827376857 633487012 /nfs/dbraw/zinc/48/70/12/633487012.db2.gz JJZKXHBASFLXMK-KRWDZBQOSA-N 1 0 289.419 3.482 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)cc1Cl ZINC000827481113 633493039 /nfs/dbraw/zinc/49/30/39/633493039.db2.gz KXMTVMLSTLYPKJ-YABSGUDNSA-N 1 0 251.757 3.242 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCCc3n[nH]cc3C2)cc1 ZINC000828013651 633548612 /nfs/dbraw/zinc/54/86/12/633548612.db2.gz HCPQBAGSILMTDU-UHFFFAOYSA-N 1 0 298.434 3.204 20 10 CGCDRO Cc1cc(C[NH2+][C@@H](C)[C@@H](C)CO)ccc1N1CCCCC1 ZINC000828846758 633660794 /nfs/dbraw/zinc/66/07/94/633660794.db2.gz RKAARAMOGBSYGJ-HOTGVXAUSA-N 1 0 290.451 3.092 20 10 CGCDRO CC[C@@H]1C[C@H](C[NH2+][C@H](C)c2cc(OC)ccc2O)CCO1 ZINC000845971947 636126383 /nfs/dbraw/zinc/12/63/83/636126383.db2.gz OGQMBEMCBWFVSU-MGPQQGTHSA-N 1 0 293.407 3.257 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1)c1ccccc1O ZINC000872109064 634032739 /nfs/dbraw/zinc/03/27/39/634032739.db2.gz GQMNTKGTWUZQDO-RMRKRWHISA-N 1 0 275.392 3.391 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCC[C@@H]2CCOC2=O)c(O)c1C ZINC000872111166 634035650 /nfs/dbraw/zinc/03/56/50/634035650.db2.gz AFRPQYJDTALJDQ-UONOGXRCSA-N 1 0 291.391 3.003 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)c1nccnc1C)c1ccccc1O ZINC000872133821 634056304 /nfs/dbraw/zinc/05/63/04/634056304.db2.gz OYAFWBCHGGWEAJ-JSGCOSHPSA-N 1 0 271.364 3.293 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2nccnc2C)c1 ZINC000872133662 634056547 /nfs/dbraw/zinc/05/65/47/634056547.db2.gz OFLFDUCZGPTTCJ-YPMHNXCESA-N 1 0 271.364 3.211 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]CCc1c(F)cccc1F)CC2 ZINC000834519553 634175509 /nfs/dbraw/zinc/17/55/09/634175509.db2.gz VYFZQOAXFPGRLN-HNNXBMFYSA-N 1 0 289.325 3.490 20 10 CGCDRO CO[C@]1(C)C[C@H]([NH2+][C@H]2CCc3cccc(O)c32)C1(C)C ZINC000834611444 634197024 /nfs/dbraw/zinc/19/70/24/634197024.db2.gz KMFRJBDFSVIRGO-RVSPLBMKSA-N 1 0 275.392 3.173 20 10 CGCDRO CO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(N(C)C)cc2)C12CCC2 ZINC000834768694 634239205 /nfs/dbraw/zinc/23/92/05/634239205.db2.gz DPGCZJZJAJCTCP-XOKHGSTOSA-N 1 0 288.435 3.361 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2CCC2(C)C)cc1Cn1cccn1 ZINC000873126319 634251993 /nfs/dbraw/zinc/25/19/93/634251993.db2.gz DXDABSQQQMLMQP-KRWDZBQOSA-N 1 0 299.418 3.218 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2=CCOCC2)c1O ZINC000834859762 634258002 /nfs/dbraw/zinc/25/80/02/634258002.db2.gz IVEQTFDNDKCCLD-LLVKDONJSA-N 1 0 281.783 3.351 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CC2=CCOCC2)cc1 ZINC000834859902 634258421 /nfs/dbraw/zinc/25/84/21/634258421.db2.gz LNNGIWAXHXPWNI-AWEZNQCLSA-N 1 0 274.408 3.140 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2C[C@H](C)n3ccnc32)c(O)c1 ZINC000834894262 634271866 /nfs/dbraw/zinc/27/18/66/634271866.db2.gz JVFHEGUXYNOEKQ-OBJOEFQTSA-N 1 0 271.364 3.254 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCO[C@@H](c2ccncc2)C1)c1ccccc1O ZINC000834894900 634272181 /nfs/dbraw/zinc/27/21/81/634272181.db2.gz VXGSFEFFSGJHLT-DHSIGJKJSA-N 1 0 298.386 3.358 20 10 CGCDRO CCCc1ncc(C[NH2+][C@@H]2CCc3cccc(O)c32)o1 ZINC000834899252 634275779 /nfs/dbraw/zinc/27/57/79/634275779.db2.gz JUNVDEXAIRWVAD-CYBMUJFWSA-N 1 0 272.348 3.110 20 10 CGCDRO CCc1ncc(C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)o1 ZINC000834899707 634276666 /nfs/dbraw/zinc/27/66/66/634276666.db2.gz LKIDFGMSCMNPQH-LBPRGKRZSA-N 1 0 274.364 3.410 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]CCC[C@H]2CCOC2)c2c1c(F)ccc2O ZINC000834902590 634279238 /nfs/dbraw/zinc/27/92/38/634279238.db2.gz HIBGRVWFLYNDIG-DYEKYZERSA-N 1 0 293.382 3.486 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]CC(C)(C)C(C)(C)O)c2c1c(F)ccc2O ZINC000834904823 634281365 /nfs/dbraw/zinc/28/13/65/634281365.db2.gz QVLIHCAGRQMYRA-ZYHUDNBSSA-N 1 0 295.398 3.466 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H](O)C1CCC1)c1cc(Cl)ccc1O ZINC000834906922 634282913 /nfs/dbraw/zinc/28/29/13/634282913.db2.gz UIPXHOASYBZDQA-UKRRQHHQSA-N 1 0 283.799 3.247 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCC2CC(F)(F)C2)c1 ZINC000834908697 634284661 /nfs/dbraw/zinc/28/46/61/634284661.db2.gz LHXXRBSPWRTFMO-SNVBAGLBSA-N 1 0 285.334 3.487 20 10 CGCDRO Cc1ccc(C[C@H](CO)[NH2+][C@@H](C)c2ccccc2O)cc1C ZINC000834913496 634285703 /nfs/dbraw/zinc/28/57/03/634285703.db2.gz HOCJDXOCITZFEE-DOTOQJQBSA-N 1 0 299.414 3.263 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(N)cc(F)c2)c1 ZINC000873288969 634321375 /nfs/dbraw/zinc/32/13/75/634321375.db2.gz NJAYMRKSEGLAJL-LLVKDONJSA-N 1 0 274.339 3.273 20 10 CGCDRO CC[C@H]([NH2+]Cc1cc(N)cc(F)c1)c1ccccc1O ZINC000873288505 634321926 /nfs/dbraw/zinc/32/19/26/634321926.db2.gz HKECBYHCXKPSRX-HNNXBMFYSA-N 1 0 274.339 3.354 20 10 CGCDRO CC(C)COCCC[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835034716 634327223 /nfs/dbraw/zinc/32/72/23/634327223.db2.gz AQPJFTDHOJNXKG-FNORWQNLSA-N 1 0 290.451 3.418 20 10 CGCDRO Cc1ccc(CC[NH2+]C/C=C\c2ccc(N(C)C)cc2)cn1 ZINC000835041180 634329710 /nfs/dbraw/zinc/32/97/10/634329710.db2.gz WOQPTJSYVVRZOT-PLNGDYQASA-N 1 0 295.430 3.302 20 10 CGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@H]2C2CC2)cc1 ZINC000835053945 634337799 /nfs/dbraw/zinc/33/77/99/634337799.db2.gz GDUNFAMOJMVDIK-IDOMTICXSA-N 1 0 256.393 3.250 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH+]2CCC(F)(F)CC2)cc1 ZINC000835054127 634338429 /nfs/dbraw/zinc/33/84/29/634338429.db2.gz NNASFIRTKMUUMI-ARJAWSKDSA-N 1 0 280.362 3.497 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000876723985 634886735 /nfs/dbraw/zinc/88/67/35/634886735.db2.gz KEWBJXYITMMNFX-ZDUSSCGKSA-N 1 0 257.333 3.283 20 10 CGCDRO Cc1ccc(C[N@@H+](C)[C@H](CCO)c2ccccc2)c(O)c1 ZINC000876739917 634889828 /nfs/dbraw/zinc/88/98/28/634889828.db2.gz KRUPAHBZILCPPF-QGZVFWFLSA-N 1 0 285.387 3.256 20 10 CGCDRO Cc1cccc(O)c1C[N@H+](C)CCc1cccs1 ZINC000876768737 634896767 /nfs/dbraw/zinc/89/67/67/634896767.db2.gz LZLLNAPZVAORHB-UHFFFAOYSA-N 1 0 261.390 3.437 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]Cc1ccc(F)c(C)c1 ZINC000876907265 634926471 /nfs/dbraw/zinc/92/64/71/634926471.db2.gz PIERGHYEWOFDAA-UHFFFAOYSA-N 1 0 259.324 3.438 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]C[C@H](O)c1ccc(Cl)cc1 ZINC000876911679 634927063 /nfs/dbraw/zinc/92/70/63/634927063.db2.gz KLMKVSGMIPZAMZ-INIZCTEOSA-N 1 0 291.778 3.177 20 10 CGCDRO CO[C@@](C)(C[NH2+]CCCSc1nccs1)C1CC1 ZINC000877061932 634967362 /nfs/dbraw/zinc/96/73/62/634967362.db2.gz VPLVQOWMZVWQKP-ZDUSSCGKSA-N 1 0 286.466 3.030 20 10 CGCDRO C[C@H]([NH2+]CCCSc1nccs1)[C@H]1CC1(F)F ZINC000877061715 634967565 /nfs/dbraw/zinc/96/75/65/634967565.db2.gz QWWGFINKRHSTOJ-DTWKUNHWSA-N 1 0 278.393 3.259 20 10 CGCDRO Cc1ccc(C[NH2+]CC2([C@H](O)c3ccccc3)CC2)c(O)c1 ZINC000877112923 634986992 /nfs/dbraw/zinc/98/69/92/634986992.db2.gz VHZGYQVCQUGPHB-GOSISDBHSA-N 1 0 297.398 3.304 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2ccccc2N(C)C)c(O)c1 ZINC000877149224 635001977 /nfs/dbraw/zinc/00/19/77/635001977.db2.gz IWOATQGRHCPOIT-UHFFFAOYSA-N 1 0 270.376 3.056 20 10 CGCDRO C[C@H](CC[NH2+]Cc1ccc(F)c(F)c1[O-])[NH+]1CCCCC1 ZINC000877315477 635024426 /nfs/dbraw/zinc/02/44/26/635024426.db2.gz UQKJSSDRWNTLST-GFCCVEGCSA-N 1 0 298.377 3.025 20 10 CGCDRO Cc1cnc([C@@H](C)C[NH2+]Cc2c(C)cccc2O)s1 ZINC000877340653 635028651 /nfs/dbraw/zinc/02/86/51/635028651.db2.gz LKMIWOAYJQQEOR-NSHDSACASA-N 1 0 276.405 3.359 20 10 CGCDRO Cc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H]2C)c(O)c1 ZINC000877487379 635055727 /nfs/dbraw/zinc/05/57/27/635055727.db2.gz UADAYGMYGADVRP-PWSUYJOCSA-N 1 0 273.298 3.473 20 10 CGCDRO Cc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)c(O)c1 ZINC000877487377 635055784 /nfs/dbraw/zinc/05/57/84/635055784.db2.gz UADAYGMYGADVRP-CMPLNLGQSA-N 1 0 273.298 3.473 20 10 CGCDRO C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cc(F)cc(F)c1[O-] ZINC000840809274 635056083 /nfs/dbraw/zinc/05/60/83/635056083.db2.gz HVYTWPCZWBPYEA-RYUDHWBXSA-N 1 0 298.377 3.053 20 10 CGCDRO Cc1n[nH]cc1C1CC[NH+](Cc2ccc(C)cc2O)CC1 ZINC000877507914 635066299 /nfs/dbraw/zinc/06/62/99/635066299.db2.gz SHBPREHTOGRWIB-UHFFFAOYSA-N 1 0 285.391 3.112 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2C[C@@H](C)O[C@@H]2C)c(O)c1 ZINC000840870971 635068991 /nfs/dbraw/zinc/06/89/91/635068991.db2.gz BAHGCJQGENJWBM-BARDWOONSA-N 1 0 277.408 3.473 20 10 CGCDRO CCC[NH+]1CCC(NCc2c(O)cc(C)cc2Cl)CC1 ZINC000840873351 635070168 /nfs/dbraw/zinc/07/01/68/635070168.db2.gz SWCMNELJHZSIST-UHFFFAOYSA-N 1 0 296.842 3.318 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCc2cccnc2)c(Cl)c1 ZINC000840873599 635070617 /nfs/dbraw/zinc/07/06/17/635070617.db2.gz COFVFHYGAWGXIQ-UHFFFAOYSA-N 1 0 276.767 3.081 20 10 CGCDRO CCCCOCC[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840887914 635076473 /nfs/dbraw/zinc/07/64/73/635076473.db2.gz QKBALMXGICMGEV-UHFFFAOYSA-N 1 0 271.788 3.260 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000840894649 635077047 /nfs/dbraw/zinc/07/70/47/635077047.db2.gz RURZHZOYXJBBCO-ZMSDIMECSA-N 1 0 290.451 3.149 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000877544468 635081823 /nfs/dbraw/zinc/08/18/23/635081823.db2.gz XCRGPDBXNYCRMY-KGLIPLIRSA-N 1 0 267.319 3.178 20 10 CGCDRO Cc1cc(O)c(C[N@@H+](C)CC2(O)CCCC2)c(Cl)c1 ZINC000840917854 635083030 /nfs/dbraw/zinc/08/30/30/635083030.db2.gz OLWVSDSCEFDODF-UHFFFAOYSA-N 1 0 283.799 3.091 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCC(F)(F)F ZINC000840934978 635084794 /nfs/dbraw/zinc/08/47/94/635084794.db2.gz ALGIHJNZIOINNJ-UHFFFAOYSA-N 1 0 260.303 3.103 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCCCOC(C)C ZINC000840936178 635086065 /nfs/dbraw/zinc/08/60/65/635086065.db2.gz GCNCGIDEJXJGDA-UHFFFAOYSA-N 1 0 278.440 3.356 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCC(C)(C)O2)c(Cl)c1 ZINC000840939996 635087280 /nfs/dbraw/zinc/08/72/80/635087280.db2.gz RVSTZBAWUFYQCI-LLVKDONJSA-N 1 0 283.799 3.401 20 10 CGCDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840938746 635087354 /nfs/dbraw/zinc/08/73/54/635087354.db2.gz GMNLJQNOARVHML-MNOVXSKESA-N 1 0 299.798 3.031 20 10 CGCDRO CC[C@@]1(CO)CCC[N@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000840939292 635087418 /nfs/dbraw/zinc/08/74/18/635087418.db2.gz MRFVKUUIZLCSAH-GOSISDBHSA-N 1 0 290.451 3.046 20 10 CGCDRO Cc1cc(O)c(C[NH2+]Cc2cnccc2C)c(Cl)c1 ZINC000840950877 635090898 /nfs/dbraw/zinc/09/08/98/635090898.db2.gz QBGCCXRBDOVLRF-UHFFFAOYSA-N 1 0 276.767 3.347 20 10 CGCDRO CC[C@H](COCC(F)(F)F)[NH2+]Cc1ccc(C)cc1O ZINC000877559897 635091226 /nfs/dbraw/zinc/09/12/26/635091226.db2.gz ZKARXGOZXFHRML-GFCCVEGCSA-N 1 0 291.313 3.148 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@H](C)CCOC)cc1F ZINC000840955131 635092101 /nfs/dbraw/zinc/09/21/01/635092101.db2.gz NJGZBYNHGHNZIE-CQSZACIVSA-N 1 0 296.430 3.434 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2ccc(N(C)C)cc2C)nc1C ZINC000840952667 635092440 /nfs/dbraw/zinc/09/24/40/635092440.db2.gz FGIJOUSJXJWXRJ-UHFFFAOYSA-N 1 0 283.419 3.363 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)[C@@H]1CC1(F)F ZINC000840968446 635095763 /nfs/dbraw/zinc/09/57/63/635095763.db2.gz SBPGNTBUWVFXDZ-RISCZKNCSA-N 1 0 268.351 3.194 20 10 CGCDRO Cc1ccc(C[NH2+]CCC2CC(F)(F)C2)c(O)c1 ZINC000877577762 635099920 /nfs/dbraw/zinc/09/99/20/635099920.db2.gz JBCCYKRWQFSOCW-UHFFFAOYSA-N 1 0 255.308 3.226 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]C[C@@H]1CC12CCSCC2 ZINC000877594657 635105767 /nfs/dbraw/zinc/10/57/67/635105767.db2.gz IEIMXSAQKCYSCZ-ZDUSSCGKSA-N 1 0 277.433 3.324 20 10 CGCDRO Cc1cccc(O)c1C[N@H+]1CCC[C@@H](OC(C)C)C1 ZINC000877610895 635111606 /nfs/dbraw/zinc/11/16/06/635111606.db2.gz LPGMAJKPWOFFHP-CQSZACIVSA-N 1 0 263.381 3.090 20 10 CGCDRO Cc1ccc(C[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)cc1C ZINC000841040495 635112327 /nfs/dbraw/zinc/11/23/27/635112327.db2.gz NNZVUYSXQBCLCN-IBGZPJMESA-N 1 0 297.446 3.159 20 10 CGCDRO C[C@H]1C[C@H]([NH2+]C[C@H](N)c2ccc(N(C)C)cc2)C[C@@H](C)C1 ZINC000841041797 635113305 /nfs/dbraw/zinc/11/33/05/635113305.db2.gz CEKQERNATJYONJ-MMNPAVHPSA-N 1 0 289.467 3.167 20 10 CGCDRO CC(C)C[C@@H](C)C[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000841042010 635113694 /nfs/dbraw/zinc/11/36/94/635113694.db2.gz JCQMTPQIKBWDDR-RHSMWYFYSA-N 1 0 277.456 3.024 20 10 CGCDRO Cc1cccc(C[NH2+][C@H]2CCCc3cc(N)ccc32)c1O ZINC000841058093 635116480 /nfs/dbraw/zinc/11/64/80/635116480.db2.gz MXCFIJXKWMYLMN-KRWDZBQOSA-N 1 0 282.387 3.450 20 10 CGCDRO [NH3+]CCC[C@H]([NH2+]Cc1cccc(F)c1[O-])c1ccccc1 ZINC000841086104 635119791 /nfs/dbraw/zinc/11/97/91/635119791.db2.gz CSYFCPGDLPERLJ-INIZCTEOSA-N 1 0 288.366 3.101 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCc2nc(C(C)C)ncc2C1 ZINC000877650638 635131649 /nfs/dbraw/zinc/13/16/49/635131649.db2.gz SJVQISIRHCGAJI-UHFFFAOYSA-N 1 0 297.402 3.172 20 10 CGCDRO CSC1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000877663182 635137570 /nfs/dbraw/zinc/13/75/70/635137570.db2.gz JSVZXRSVJUBNFD-UHFFFAOYSA-N 1 0 271.813 3.373 20 10 CGCDRO CCn1nc(C)c(C[N@H+](C)Cc2cc(C)ccc2O)c1C ZINC000877664036 635137922 /nfs/dbraw/zinc/13/79/22/635137922.db2.gz KTRQFAODLDWQFD-UHFFFAOYSA-N 1 0 287.407 3.166 20 10 CGCDRO Cc1cccc(C[NH+]2CCC(CCF)CC2)c1O ZINC000877674069 635142767 /nfs/dbraw/zinc/14/27/67/635142767.db2.gz MDIWJHZCKLGFDE-UHFFFAOYSA-N 1 0 251.345 3.272 20 10 CGCDRO CC(C)[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2O)CCO1 ZINC000877756278 635185653 /nfs/dbraw/zinc/18/56/53/635185653.db2.gz DXGAKDMWEHAPSF-WWGRRREGSA-N 1 0 263.381 3.246 20 10 CGCDRO COC(=O)CC(C)(C)C[C@@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000877758135 635187319 /nfs/dbraw/zinc/18/73/19/635187319.db2.gz KHBODLQYNZXOKA-OLZOCXBDSA-N 1 0 293.407 3.411 20 10 CGCDRO Cc1cccc(C[NH2+]C2([C@H]3CCCCO3)CCC2)c1O ZINC000877769959 635196664 /nfs/dbraw/zinc/19/66/64/635196664.db2.gz AHFOJPVTYICHDH-OAHLLOKOSA-N 1 0 275.392 3.282 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+][C@H]2CCCn3nccc32)c1O ZINC000877778191 635200848 /nfs/dbraw/zinc/20/08/48/635200848.db2.gz LGRAJGZPJZSXML-ZDUSSCGKSA-N 1 0 291.782 3.175 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H](O)c1ccco1)c1ccc(Cl)cc1O ZINC000841743423 635221086 /nfs/dbraw/zinc/22/10/86/635221086.db2.gz GFYURXTTZQLHET-NOZJJQNGSA-N 1 0 281.739 3.023 20 10 CGCDRO CCN(CC[NH2+][C@H](C)c1ccc(Cl)cc1O)C1CC1 ZINC000841747402 635224317 /nfs/dbraw/zinc/22/43/17/635224317.db2.gz QFUPSRFEROAVOS-LLVKDONJSA-N 1 0 282.815 3.181 20 10 CGCDRO CO[C@@H](C)[C@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841753832 635227779 /nfs/dbraw/zinc/22/77/79/635227779.db2.gz WZOUTKXPLUZUIV-AEJSXWLSSA-N 1 0 257.761 3.120 20 10 CGCDRO Cc1nnc(CC[NH2+][C@@H](C)c2ccc(Cl)cc2O)s1 ZINC000841756834 635230352 /nfs/dbraw/zinc/23/03/52/635230352.db2.gz KLPSWGWWZDJGAS-QMMMGPOBSA-N 1 0 297.811 3.099 20 10 CGCDRO C[C@H]([NH2+][C@@H]1COCc2ccccc21)c1cc(F)ccc1O ZINC000841758762 635231451 /nfs/dbraw/zinc/23/14/51/635231451.db2.gz DCHSNRSICWZWSJ-MEDUHNTESA-N 1 0 287.334 3.453 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)c1ccc(Cl)cc1O)[C@@H](O)C(F)F ZINC000841758960 635231524 /nfs/dbraw/zinc/23/15/24/635231524.db2.gz WIYIDZPNDJRIFV-INNHCVQGSA-N 1 0 293.741 3.101 20 10 CGCDRO C[C@@H]([NH2+][C@H]1COCC1(C)C)c1ccc(Cl)cc1O ZINC000841757095 635231574 /nfs/dbraw/zinc/23/15/74/635231574.db2.gz MCRDKMJWMMGKSW-RNCFNFMXSA-N 1 0 269.772 3.121 20 10 CGCDRO CO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841757109 635231705 /nfs/dbraw/zinc/23/17/05/635231705.db2.gz MGSUJPUAZLUUFN-MRCXROJRSA-N 1 0 269.772 3.264 20 10 CGCDRO Cc1cnc(CC[NH2+][C@@H](C)c2ccc(Cl)cc2O)cn1 ZINC000841759341 635233075 /nfs/dbraw/zinc/23/30/75/635233075.db2.gz YSFHYNKVGAHNKA-NSHDSACASA-N 1 0 291.782 3.037 20 10 CGCDRO COc1cccc(C[N@@H+]2CCSC[C@H]2C2CCC2)c1O ZINC000841893193 635249053 /nfs/dbraw/zinc/24/90/53/635249053.db2.gz GJOCOCDWERSAOM-AWEZNQCLSA-N 1 0 293.432 3.118 20 10 CGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H]1CCO[C@@H]1C ZINC000878150425 635379381 /nfs/dbraw/zinc/37/93/81/635379381.db2.gz DCHPKFQNWPQRKZ-KGLIPLIRSA-N 1 0 263.381 3.029 20 10 CGCDRO C[C@H]1C[N@H+](Cc2c(O)ccc3ccncc32)CC2(CCC2)O1 ZINC000842641832 635425911 /nfs/dbraw/zinc/42/59/11/635425911.db2.gz XUMOEGKYHWDZGA-ZDUSSCGKSA-N 1 0 298.386 3.084 20 10 CGCDRO CCCC[C@@](C)(CO)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000842750244 635459519 /nfs/dbraw/zinc/45/95/19/635459519.db2.gz XZRYDWFVFBXTTG-ZEVQVBBLSA-N 1 0 290.451 3.297 20 10 CGCDRO Cc1cccc(C[N@@H+]2CC[C@H](Oc3ccccc3)C2)c1O ZINC000843416883 635663001 /nfs/dbraw/zinc/66/30/01/635663001.db2.gz ZTEDNZBYGIXFOO-KRWDZBQOSA-N 1 0 283.371 3.354 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CC[C@@H](c3cccnc3)C2)c(O)c1 ZINC000843420000 635665149 /nfs/dbraw/zinc/66/51/49/635665149.db2.gz YDXOYYNOLOCZCO-OAHLLOKOSA-N 1 0 298.386 3.175 20 10 CGCDRO Cc1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000879651816 635828202 /nfs/dbraw/zinc/82/82/02/635828202.db2.gz LNEDKSSORXCAPZ-UONOGXRCSA-N 1 0 298.386 3.378 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+][C@@H]1CNc2ccccc2C1 ZINC000844907094 635980849 /nfs/dbraw/zinc/98/08/49/635980849.db2.gz HHPBMMIZQPFOEN-AWEZNQCLSA-N 1 0 288.778 3.172 20 10 CGCDRO CCC1(CC)CC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000211597579 636107281 /nfs/dbraw/zinc/10/72/81/636107281.db2.gz MHKVUJKALKIRKM-UHFFFAOYSA-N 1 0 263.381 3.413 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CC(C)(C)OC[C@H]2CC)c1 ZINC000846027511 636132208 /nfs/dbraw/zinc/13/22/08/636132208.db2.gz MYBMSUJSIIEEGC-CQSZACIVSA-N 1 0 293.407 3.180 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C2(C3CCC3)CC2)c1 ZINC000846055886 636139760 /nfs/dbraw/zinc/13/97/60/636139760.db2.gz RJQNDKXKYDLXQT-NSHDSACASA-N 1 0 261.365 3.384 20 10 CGCDRO CO[C@@H]1CCCC[C@H]1[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000846056512 636140093 /nfs/dbraw/zinc/14/00/93/636140093.db2.gz QAVASCDSHLLHFK-IKSUFZCESA-N 1 0 288.435 3.313 20 10 CGCDRO CCc1ncc(C[NH2+]Cc2cc(Cl)ccc2O)s1 ZINC000846058807 636140646 /nfs/dbraw/zinc/14/06/46/636140646.db2.gz UJKFYXWBPVGSLV-UHFFFAOYSA-N 1 0 282.796 3.354 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2COc3ccccc3C2)c1O ZINC000846141641 636148832 /nfs/dbraw/zinc/14/88/32/636148832.db2.gz LJHGHOBCZIALKS-OCCSQVGLSA-N 1 0 299.370 3.055 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]CC2(O)CCCCCC2)c1O ZINC000846144152 636149347 /nfs/dbraw/zinc/14/93/47/636149347.db2.gz JXJWVOMPRXQRIJ-CYBMUJFWSA-N 1 0 293.407 3.137 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]Cc2scnc2C)c1O ZINC000846144938 636149358 /nfs/dbraw/zinc/14/93/58/636149358.db2.gz KWTOGRCBKDDZIF-SECBINFHSA-N 1 0 278.377 3.017 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+][C@H](C)Cc2ccncc2)c1O ZINC000846150931 636149721 /nfs/dbraw/zinc/14/97/21/636149721.db2.gz TWEXDGCGYQHYJE-CHWSQXEVSA-N 1 0 286.375 3.078 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCO[C@@H](C(C)C)C2)c1O ZINC000846147551 636150001 /nfs/dbraw/zinc/15/00/01/636150001.db2.gz SAIABWXMOHWDJA-WOSRLPQWSA-N 1 0 293.407 3.255 20 10 CGCDRO CCOC1CC(CC[NH2+][C@@H](C)c2cccc(OC)c2O)C1 ZINC000846163605 636151365 /nfs/dbraw/zinc/15/13/65/636151365.db2.gz BTJGSLMXJASMOM-HSBZDZAISA-N 1 0 293.407 3.257 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]CCC2(F)CCC2)c1O ZINC000846170980 636152675 /nfs/dbraw/zinc/15/26/75/636152675.db2.gz NUPQYYXELGGIML-LLVKDONJSA-N 1 0 267.344 3.334 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]CCSC(C)C)c1O ZINC000846169836 636153194 /nfs/dbraw/zinc/15/31/94/636153194.db2.gz GIIFNUNSRGXTSM-LLVKDONJSA-N 1 0 269.410 3.193 20 10 CGCDRO CC[C@@H]([NH2+]CCC1(CO)CCC1)c1ccc(C)cc1O ZINC000846209202 636158525 /nfs/dbraw/zinc/15/85/25/636158525.db2.gz BXYAMLAWBYENKV-OAHLLOKOSA-N 1 0 277.408 3.294 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC=C(c3ccccn3)C2)cc1 ZINC000846923859 636284775 /nfs/dbraw/zinc/28/47/75/636284775.db2.gz ULPIFCIECCZACF-UHFFFAOYSA-N 1 0 293.414 3.437 20 10 CGCDRO CC[C@H]([NH2+]C[C@H](C)N(C)C1CC1)c1ccc(N(C)C)cc1 ZINC000130973626 636539563 /nfs/dbraw/zinc/53/95/63/636539563.db2.gz VZPROSZOLFXLRD-KSSFIOAISA-N 1 0 289.467 3.276 20 10 CGCDRO c1cn2c(n1)[C@H]([NH2+]Cc1ccc(N3CCCC3)cc1)CCC2 ZINC000848517472 636584501 /nfs/dbraw/zinc/58/45/01/636584501.db2.gz DMMZAFJWSAHUHH-QGZVFWFLSA-N 1 0 296.418 3.108 20 10 CGCDRO C[C@H]1CC[C@@H]([NH2+]CCCSc2nccs2)CS1 ZINC000848528054 636590266 /nfs/dbraw/zinc/59/02/66/636590266.db2.gz JINPQYGHFDJIDB-WDEREUQCSA-N 1 0 288.507 3.499 20 10 CGCDRO Cc1cnc(CC[NH2+][C@@H]2CCc3cccc(O)c32)c(C)c1 ZINC000848559462 636605439 /nfs/dbraw/zinc/60/54/39/636605439.db2.gz CXXVVISMZGPCHD-MRXNPFEDSA-N 1 0 282.387 3.224 20 10 CGCDRO COCC1(C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)CC1 ZINC000848560431 636606470 /nfs/dbraw/zinc/60/64/70/636606470.db2.gz FJAPKZKQUOHGJG-ZYHUDNBSSA-N 1 0 279.355 3.096 20 10 CGCDRO Cc1cnc(CC[NH2+]Cc2cc(C)c(C)cc2O)c(C)c1 ZINC000848565079 636608615 /nfs/dbraw/zinc/60/86/15/636608615.db2.gz SHGYMFYVVUJFKW-UHFFFAOYSA-N 1 0 284.403 3.353 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](OC(C)(C)C)C2)cc1C ZINC000848567363 636610026 /nfs/dbraw/zinc/61/00/26/636610026.db2.gz TVIIGELMZAZBRA-SHTZXODSSA-N 1 0 277.408 3.439 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCCN3CCCC[C@H]23)cc1C ZINC000848575452 636613012 /nfs/dbraw/zinc/61/30/12/636613012.db2.gz QVYVPUHLUBRACU-IAGOWNOFSA-N 1 0 288.435 3.116 20 10 CGCDRO CCOc1cccc(C[NH2+][C@H](CC)[C@@H]2CCCCO2)c1O ZINC000848575569 636614394 /nfs/dbraw/zinc/61/43/94/636614394.db2.gz SNROLJGVHRHYEQ-CABCVRRESA-N 1 0 293.407 3.228 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H](CC)[C@H]2CCCCO2)c1O ZINC000848575572 636614525 /nfs/dbraw/zinc/61/45/25/636614525.db2.gz SNROLJGVHRHYEQ-LSDHHAIUSA-N 1 0 293.407 3.228 20 10 CGCDRO C=C/C=C/CC[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000883259445 636629657 /nfs/dbraw/zinc/62/96/57/636629657.db2.gz MWCNXACNRITPOH-SNAWJCMRSA-N 1 0 297.402 3.162 20 10 CGCDRO COC[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(C)c(C)c2O)C1 ZINC000883319509 636670046 /nfs/dbraw/zinc/67/00/46/636670046.db2.gz DZUVWDHLUYMEJI-MELADBBJSA-N 1 0 263.381 3.085 20 10 CGCDRO CCc1cccc(C[N@@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)c1O ZINC000848889819 636678019 /nfs/dbraw/zinc/67/80/19/636678019.db2.gz MVPGTWRSCNELEL-PBHICJAKSA-N 1 0 299.418 3.234 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)c1O ZINC000848897459 636679764 /nfs/dbraw/zinc/67/97/64/636679764.db2.gz JEOUPZSWYPURKH-UAGQMJEPSA-N 1 0 289.419 3.248 20 10 CGCDRO CCc1cccc(C[NH2+]CC(CC)(CC)CCO)c1O ZINC000848897435 636679835 /nfs/dbraw/zinc/67/98/35/636679835.db2.gz ITEJOQGGBZVTIG-UHFFFAOYSA-N 1 0 279.424 3.233 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)c1O ZINC000848897460 636679945 /nfs/dbraw/zinc/67/99/45/636679945.db2.gz JEOUPZSWYPURKH-USXIJHARSA-N 1 0 289.419 3.248 20 10 CGCDRO CCc1cccc(C[NH2+]CCCc2ccc(O)cc2)c1O ZINC000848896525 636680064 /nfs/dbraw/zinc/68/00/64/636680064.db2.gz BXLULAQJIVIWGO-UHFFFAOYSA-N 1 0 285.387 3.383 20 10 CGCDRO CCc1cccc(C[NH2+][C@H](COC)c2ccco2)c1O ZINC000848898379 636680799 /nfs/dbraw/zinc/68/07/99/636680799.db2.gz USFLIOUEWVRQTH-CQSZACIVSA-N 1 0 275.348 3.025 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H](CO)[C@@H](C)c2ccccc2)c1O ZINC000848897943 636680907 /nfs/dbraw/zinc/68/09/07/636680907.db2.gz WWQDYNQINZWGDQ-KSSFIOAISA-N 1 0 299.414 3.209 20 10 CGCDRO CCc1cccc(C[NH2+]Cc2cn3cccc(C)c3n2)c1O ZINC000848901133 636681657 /nfs/dbraw/zinc/68/16/57/636681657.db2.gz UPPCCVVLJWSITO-UHFFFAOYSA-N 1 0 295.386 3.201 20 10 CGCDRO CCc1cccc(C[NH2+]Cc2nc3c(cccc3C)[nH]2)c1O ZINC000848901384 636681877 /nfs/dbraw/zinc/68/18/77/636681877.db2.gz YZKOVTMGSJTTFG-UHFFFAOYSA-N 1 0 295.386 3.429 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCCC[C@H]2C[C@@H](C)O)c1O ZINC000848907605 636685640 /nfs/dbraw/zinc/68/56/40/636685640.db2.gz GAVFNMQXGGHMKN-CJNGLKHVSA-N 1 0 277.408 3.080 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@H](CO)CC2CCCC2)c1O ZINC000848909373 636685930 /nfs/dbraw/zinc/68/59/30/636685930.db2.gz RYFARQQOQTWYNT-OAHLLOKOSA-N 1 0 291.435 3.233 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H]2CCCC23CCOCC3)c1O ZINC000848909207 636686370 /nfs/dbraw/zinc/68/63/70/636686370.db2.gz NHDGFCJFTFPKDB-MRXNPFEDSA-N 1 0 289.419 3.394 20 10 CGCDRO CCc1cccc(C[NH2+]CC(C)(C)c2cccnc2)c1O ZINC000848917649 636689678 /nfs/dbraw/zinc/68/96/78/636689678.db2.gz IYJDKLRIANESHR-UHFFFAOYSA-N 1 0 284.403 3.417 20 10 CGCDRO CCc1cccc(C[N@@H+]2C[C@H](C)OC3(CCC3)C2)c1O ZINC000848920061 636691415 /nfs/dbraw/zinc/69/14/15/636691415.db2.gz WSCUNVJLNDWFBJ-ZDUSSCGKSA-N 1 0 275.392 3.098 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C[C@H](C)O)C2CC2)cc1F ZINC000848928857 636700886 /nfs/dbraw/zinc/70/08/86/636700886.db2.gz PMDYDLWXHDGLMJ-ZDUSSCGKSA-N 1 0 294.414 3.017 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cccc(C)c1O)[C@H]1CCCCO1 ZINC000848927860 636700939 /nfs/dbraw/zinc/70/09/39/636700939.db2.gz PFFUHIREXPWIBF-HUUCEWRRSA-N 1 0 263.381 3.138 20 10 CGCDRO CCc1cccc(NC(=[NH2+])NCc2ccccc2O)c1 ZINC000849058133 636734593 /nfs/dbraw/zinc/73/45/93/636734593.db2.gz NWHQLEJVIRHKKB-UHFFFAOYSA-N 1 0 269.348 3.091 20 10 CGCDRO CC[C@@H]([NH2+]CCCSc1nccs1)[C@@H]1CCOC1 ZINC000132275712 636797932 /nfs/dbraw/zinc/79/79/32/636797932.db2.gz CLZUJUDJZJATOW-VXGBXAGGSA-N 1 0 286.466 3.030 20 10 CGCDRO CCC[C@H](C)[N@H+](C)Cc1cccc(OCC)c1O ZINC000132297109 636800361 /nfs/dbraw/zinc/80/03/61/636800361.db2.gz RQRGVPSSHGCWAV-LBPRGKRZSA-N 1 0 251.370 3.411 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)c3cccnc3)C2)cc1 ZINC000849323510 636810226 /nfs/dbraw/zinc/81/02/26/636810226.db2.gz YSGSLXMWXVJWEM-HOCLYGCPSA-N 1 0 297.402 3.020 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCc3cc(N)ccc32)cc1F ZINC000849352058 636818027 /nfs/dbraw/zinc/81/80/27/636818027.db2.gz GLFOMDZKBUCHLT-QGZVFWFLSA-N 1 0 299.393 3.251 20 10 CGCDRO CN(C)c1ccc(C[NH2+]Cc2c(C3CCC3)cnn2C)cc1 ZINC000850010712 636927845 /nfs/dbraw/zinc/92/78/45/636927845.db2.gz GQAOCJSCBTWBSA-UHFFFAOYSA-N 1 0 298.434 3.043 20 10 CGCDRO COc1cc(C[NH2+][C@@H]2CC23CC3)c(O)c(C(C)(C)C)c1 ZINC000850332573 637018506 /nfs/dbraw/zinc/01/85/06/637018506.db2.gz MGADXQXCUIWXNK-CQSZACIVSA-N 1 0 275.392 3.340 20 10 CGCDRO c1ccc2c(CC[NH2+]Cc3ccc4c(c3)CCO4)noc2c1 ZINC000850343600 637021933 /nfs/dbraw/zinc/02/19/33/637021933.db2.gz WVQDOKFKNNAAEE-UHFFFAOYSA-N 1 0 294.354 3.095 20 10 CGCDRO Oc1ccccc1C[NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1 ZINC000850377933 637038411 /nfs/dbraw/zinc/03/84/11/637038411.db2.gz OXWDFNXZQLNHJG-IRXDYDNUSA-N 1 0 283.371 3.055 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCC[C@H](C)O2)cc1C ZINC000850379119 637039080 /nfs/dbraw/zinc/03/90/80/637039080.db2.gz FHAIUEBCSLDXSU-ZFWWWQNUSA-N 1 0 263.381 3.056 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H]2CCc3ccc(O)cc32)c1O ZINC000850387514 637043298 /nfs/dbraw/zinc/04/32/98/637043298.db2.gz SWKDEZMCWTTWOY-MRXNPFEDSA-N 1 0 299.370 3.274 20 10 CGCDRO CC1(C)[C@@H](C[NH2+]Cc2cc(Cl)ccc2O)C1(F)F ZINC000850393404 637045338 /nfs/dbraw/zinc/04/53/38/637045338.db2.gz CEBMVJXLGZSDRI-LLVKDONJSA-N 1 0 275.726 3.427 20 10 CGCDRO Oc1ccc(Br)cc1C[NH2+][C@@H]1[C@@H]2CCC[C@@H]21 ZINC000850392691 637045654 /nfs/dbraw/zinc/04/56/54/637045654.db2.gz MOLAVSGPVHEFKI-PTEHBNRSSA-N 1 0 282.181 3.043 20 10 CGCDRO CSCC[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000134908055 637050364 /nfs/dbraw/zinc/05/03/64/637050364.db2.gz IKBKNAAZAJVLJR-MRVPVSSYSA-N 1 0 290.226 3.168 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]CCCc1ccco1 ZINC000850407453 637050564 /nfs/dbraw/zinc/05/05/64/637050564.db2.gz ISJOIJXKLHRWEN-UHFFFAOYSA-N 1 0 265.740 3.361 20 10 CGCDRO COc1cccc(C[NH2+]Cc2c(O)cccc2OC)c1C ZINC000850416844 637053899 /nfs/dbraw/zinc/05/38/99/637053899.db2.gz QNRUQFUOQBEZOX-UHFFFAOYSA-N 1 0 287.359 3.008 20 10 CGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)C3CCC3)C2)cc1 ZINC000850487566 637087860 /nfs/dbraw/zinc/08/78/60/637087860.db2.gz IHKZDISTTWJUIB-UKRRQHHQSA-N 1 0 274.408 3.052 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CCC3(C)C)C2)cc1 ZINC000850489068 637088660 /nfs/dbraw/zinc/08/86/60/637088660.db2.gz PVWIJZREIRRDKE-XJKSGUPXSA-N 1 0 274.408 3.052 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)C1(CO)CC1)c1cc2c(cc1O)CCCC2 ZINC000850517113 637100297 /nfs/dbraw/zinc/10/02/97/637100297.db2.gz QSCNGUHZLDSCLB-OLZOCXBDSA-N 1 0 289.419 3.083 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2C[C@H](O)c3ccccc32)c1 ZINC000850528763 637107320 /nfs/dbraw/zinc/10/73/20/637107320.db2.gz MUELBNVHBVNRKR-PBQZTSCYSA-N 1 0 299.370 3.230 20 10 CGCDRO CC[C@H]([NH2+]C[C@]12OCCC[C@H]1C2(F)F)c1ccccc1O ZINC000850531467 637108376 /nfs/dbraw/zinc/10/83/76/637108376.db2.gz FIKWHDOCGOREOD-CFVMTHIKSA-N 1 0 297.345 3.247 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](CO)CC2CC2)c1O ZINC000850544139 637115568 /nfs/dbraw/zinc/11/55/68/637115568.db2.gz CPPGAHPTJGIDNO-AAEUAGOBSA-N 1 0 297.826 3.413 20 10 CGCDRO CCCN1CC[C@@H]([NH2+][C@H](C)c2ccc(C)c(C)c2O)C1 ZINC000850554064 637118462 /nfs/dbraw/zinc/11/84/62/637118462.db2.gz HKRPSSKTFNWSCB-HUUCEWRRSA-N 1 0 276.424 3.144 20 10 CGCDRO CCCN1CC[C@H]([NH2+][C@@H](C)c2ccc(C)c(C)c2O)C1 ZINC000850554063 637118569 /nfs/dbraw/zinc/11/85/69/637118569.db2.gz HKRPSSKTFNWSCB-GJZGRUSLSA-N 1 0 276.424 3.144 20 10 CGCDRO CCCN1CC[C@@H]([NH2+][C@@H](C)c2ccc(C)c(C)c2O)C1 ZINC000850554065 637119284 /nfs/dbraw/zinc/11/92/84/637119284.db2.gz HKRPSSKTFNWSCB-LSDHHAIUSA-N 1 0 276.424 3.144 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]C[C@H](OC)C2CCCC2)c1O ZINC000850561379 637124436 /nfs/dbraw/zinc/12/44/36/637124436.db2.gz JGNILKKBASUNQI-WBMJQRKESA-N 1 0 293.407 3.257 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CC2(O)CCC(F)(F)CC2)c(O)c1 ZINC000850566456 637126759 /nfs/dbraw/zinc/12/67/59/637126759.db2.gz MWOJDGZCULFKBP-GFCCVEGCSA-N 1 0 299.361 3.292 20 10 CGCDRO C[C@@H]([NH2+][C@H](C)c1ccc(Cl)cc1O)c1nccn1C ZINC000850573162 637129909 /nfs/dbraw/zinc/12/99/09/637129909.db2.gz VMUFLOXIQBYDTL-NXEZZACHSA-N 1 0 279.771 3.191 20 10 CGCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@@H](C)C[C@H]2C)c1O ZINC000135821935 637188500 /nfs/dbraw/zinc/18/85/00/637188500.db2.gz LOLLSWCHSACFCW-VHSXEESVSA-N 1 0 281.783 3.479 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CC[C@@H](C3CC3)O2)c1 ZINC000886109516 637418850 /nfs/dbraw/zinc/41/88/50/637418850.db2.gz MSZRVYKBIFYYPV-KHIZAZIESA-N 1 0 291.391 3.009 20 10 CGCDRO CCOc1cccc(C[NH2+]CC[C@@H]2CC(C)(C)CO2)c1O ZINC000886306960 637492373 /nfs/dbraw/zinc/49/23/73/637492373.db2.gz FPTLHVSWMNILIZ-CQSZACIVSA-N 1 0 293.407 3.086 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1CC[C@H](C2CC2)O1)c1ccccc1O ZINC000886310179 637493993 /nfs/dbraw/zinc/49/39/93/637493993.db2.gz GGRPUYJONVOEGV-AXAPSJFSSA-N 1 0 261.365 3.000 20 10 CGCDRO CCCC[N@H+](CCO[C@H]1CC1(F)F)Cc1ccccc1O ZINC000852017655 637572056 /nfs/dbraw/zinc/57/20/56/637572056.db2.gz CGQLYORHNZBVDW-HNNXBMFYSA-N 1 0 299.361 3.419 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]Cc1cc(C3CC3)no1)CC2 ZINC000886685015 637650823 /nfs/dbraw/zinc/65/08/23/637650823.db2.gz YLHBSEAJIWZVIG-ZDUSSCGKSA-N 1 0 270.332 3.035 20 10 CGCDRO Oc1cc2c(cc1C[NH+]1CCC(C3CCC3)CC1)OCO2 ZINC000853535573 637863879 /nfs/dbraw/zinc/86/38/79/637863879.db2.gz ZZDCHTCPCJDTLU-UHFFFAOYSA-N 1 0 289.375 3.133 20 10 CGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H](CCF)C1)CCC2 ZINC000853563991 637867542 /nfs/dbraw/zinc/86/75/42/637867542.db2.gz HSFCGGOZIFMXSB-CYBMUJFWSA-N 1 0 277.383 3.453 20 10 CGCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H]3C[C@H]3C1)CCCC2 ZINC000853578847 637868846 /nfs/dbraw/zinc/86/88/46/637868846.db2.gz XRCPPKJOQNVCMP-GJZGRUSLSA-N 1 0 257.377 3.113 20 10 CGCDRO COc1cc(C)cc(C[N@H+](C)C[C@H]2CC2(C)C)c1O ZINC000853626629 637875698 /nfs/dbraw/zinc/87/56/98/637875698.db2.gz BYLVVWLAMFBNQQ-CYBMUJFWSA-N 1 0 263.381 3.187 20 10 CGCDRO COc1cc(C)cc(C[N@H+](C)C[C@@H]2CC2(C)C)c1O ZINC000853626630 637875759 /nfs/dbraw/zinc/87/57/59/637875759.db2.gz BYLVVWLAMFBNQQ-ZDUSSCGKSA-N 1 0 263.381 3.187 20 10 CGCDRO CC[C@H]([NH2+]CC1([NH3+])CCCC1)c1cccc(Cl)c1[O-] ZINC000854222594 638025619 /nfs/dbraw/zinc/02/56/19/638025619.db2.gz ICNFNLFXKALNOC-ZDUSSCGKSA-N 1 0 282.815 3.358 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCc3cc(N)ccc32)c1 ZINC000854225591 638028003 /nfs/dbraw/zinc/02/80/03/638028003.db2.gz IJBFCCBPIBOERU-DIFFPNOSSA-N 1 0 298.386 3.321 20 10 CGCDRO CC[C@@H](N[C@H](C)C[NH2+]C)c1ccc(C(F)(F)F)cc1O ZINC000854232799 638029984 /nfs/dbraw/zinc/02/99/84/638029984.db2.gz ULMYGHFJAWTVEG-BXKDBHETSA-N 1 0 290.329 3.060 20 10 CGCDRO C[C@H](CC1CC1)[NH2+]Cc1cc(Br)ccc1O ZINC000112711615 638110611 /nfs/dbraw/zinc/11/06/11/638110611.db2.gz CIKXLYAQQFFFDK-SECBINFHSA-N 1 0 284.197 3.433 20 10 CGCDRO CCOc1cncc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000856778626 638387673 /nfs/dbraw/zinc/38/76/73/638387673.db2.gz OOKDIUZJYMOMBS-CQSZACIVSA-N 1 0 299.418 3.397 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cnn(C2CCC2)c1 ZINC000924902424 638422944 /nfs/dbraw/zinc/42/29/44/638422944.db2.gz ZJMKYKUCGLTYLA-ZDUSSCGKSA-N 1 0 297.402 3.394 20 10 CGCDRO CCOc1cncc(C[NH2+]Cc2cc(Cl)ccc2O)c1 ZINC000857048860 638442221 /nfs/dbraw/zinc/44/22/21/638442221.db2.gz CBDGLWRPUAWGLP-UHFFFAOYSA-N 1 0 292.766 3.129 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH+]1CC(CC2CC2)C1 ZINC000857066778 638448164 /nfs/dbraw/zinc/44/81/64/638448164.db2.gz VKTAASXXSBPKDO-UHFFFAOYSA-N 1 0 251.757 3.278 20 10 CGCDRO CN(C)c1cc(F)c(C[NH2+]C(C2CC2)C2CC2)cc1F ZINC000858110251 638630310 /nfs/dbraw/zinc/63/03/10/638630310.db2.gz ODIBSHYMEGGZJM-UHFFFAOYSA-N 1 0 280.362 3.309 20 10 CGCDRO CCC(C)(C)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858117264 638635702 /nfs/dbraw/zinc/63/57/02/638635702.db2.gz HKNQZAYIARETKU-UHFFFAOYSA-N 1 0 256.340 3.309 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CO[C@H](C2CC2)C1)c1ccc(C)cc1O ZINC000858547360 638759358 /nfs/dbraw/zinc/75/93/58/638759358.db2.gz KOZKSRUTXYLHNX-QRTARXTBSA-N 1 0 275.392 3.309 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@]23CCC[C@H]2OCC3)c(O)c1 ZINC000926916563 638825009 /nfs/dbraw/zinc/82/50/09/638825009.db2.gz QNUXODQXNKDHPR-KBRIMQKVSA-N 1 0 275.392 3.310 20 10 CGCDRO C[C@H]([NH2+]C[C@@]1(C)CCCCO1)c1cc(F)ccc1O ZINC000927023321 638832921 /nfs/dbraw/zinc/83/29/21/638832921.db2.gz UVBGVLLLYKEUJN-XHDPSFHLSA-N 1 0 267.344 3.141 20 10 CGCDRO COc1ccc2c(c1)C[C@H](C[NH2+][C@H](C)c1ccccc1O)O2 ZINC000931554898 639169958 /nfs/dbraw/zinc/16/99/58/639169958.db2.gz SXRXLBWTZPYUKH-IUODEOHRSA-N 1 0 299.370 3.055 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@H]2c2ccnn2C)cc1 ZINC000932264972 639305626 /nfs/dbraw/zinc/30/56/26/639305626.db2.gz LOMGTWNONUFORI-SFHVURJKSA-N 1 0 298.434 3.213 20 10 CGCDRO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](C)C2)c1O ZINC000040719058 639896408 /nfs/dbraw/zinc/89/64/08/639896408.db2.gz QRYLSSYQWGRCNR-VIFPVBQESA-N 1 0 267.756 3.090 20 10 CGCDRO CCO[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000155473703 639937458 /nfs/dbraw/zinc/93/74/58/639937458.db2.gz NLJBPHOPPRQDNI-ZDUSSCGKSA-N 1 0 269.772 3.047 20 10 CGCDRO CC[C@@H](C)[C@@](C)(O)C[NH2+][C@@H](CC)c1ccccc1O ZINC000155805476 639951968 /nfs/dbraw/zinc/95/19/68/639951968.db2.gz ULAAQNVYEHFHMS-INWMFGNUSA-N 1 0 265.397 3.230 20 10 CGCDRO CC(C)Oc1ncccc1C[NH2+][C@H](C)c1ccccc1O ZINC000048760426 640069250 /nfs/dbraw/zinc/06/92/50/640069250.db2.gz UEENFWFXHFQDPT-CYBMUJFWSA-N 1 0 286.375 3.425 20 10 CGCDRO Cc1cccc(C[NH2+][C@H]2CCCO[C@H]2CC(C)C)c1O ZINC000187680269 640093928 /nfs/dbraw/zinc/09/39/28/640093928.db2.gz LNRUDLYRIUPVOZ-HOTGVXAUSA-N 1 0 277.408 3.384 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1CCC(C)(C)O1)c1cc(F)ccc1O ZINC000187853083 640102651 /nfs/dbraw/zinc/10/26/51/640102651.db2.gz WZOXFWDHUDYZCA-CMPLNLGQSA-N 1 0 267.344 3.140 20 10 CGCDRO Cc1nccnc1[C@@H](C)[NH2+]CCCSc1nccs1 ZINC000188036127 640115835 /nfs/dbraw/zinc/11/58/35/640115835.db2.gz YPFUXOXVCRQZRM-SNVBAGLBSA-N 1 0 294.449 3.075 20 10 CGCDRO Cc1cccc(C[NH2+]CCc2cc(C)c(O)c(C)c2)c1O ZINC000191573860 640320263 /nfs/dbraw/zinc/32/02/63/640320263.db2.gz XRAJYUPYJORJAC-UHFFFAOYSA-N 1 0 285.387 3.355 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2c(O)cccc2Cl)cn1 ZINC000083551944 640596437 /nfs/dbraw/zinc/59/64/37/640596437.db2.gz LQFCDBDJVYMNFT-UHFFFAOYSA-N 1 0 262.740 3.039 20 10 CGCDRO C[N@H+](CCOCC1CC1)Cc1c(O)ccc2ccccc21 ZINC000088507504 640618908 /nfs/dbraw/zinc/61/89/08/640618908.db2.gz VDCJSDNYENNKBV-UHFFFAOYSA-N 1 0 285.387 3.404 20 10 CGCDRO CC[C@@H](C)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000246164507 640662166 /nfs/dbraw/zinc/66/21/66/640662166.db2.gz DTGUTOFEYVDUCN-GDBMZVCRSA-N 1 0 277.408 3.419 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CCS[C@H](C)[C@H]2C)c1O ZINC000246422441 640673917 /nfs/dbraw/zinc/67/39/17/640673917.db2.gz IHTLUFLUDPHFLS-VXGBXAGGSA-N 1 0 281.421 3.035 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H](C)N(C)C2CC2)cc1 ZINC000247042070 640708038 /nfs/dbraw/zinc/70/80/38/640708038.db2.gz OHTCRTXLEAYRNO-LSDHHAIUSA-N 1 0 289.467 3.276 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCc3ccccc3[C@H]2CO)cc1C ZINC000093455378 640772647 /nfs/dbraw/zinc/77/26/47/640772647.db2.gz NGKQGRNGFAROSU-GOSISDBHSA-N 1 0 297.398 3.101 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCOC[C@H]2C2CC2)cc1 ZINC000093645845 640778354 /nfs/dbraw/zinc/77/83/54/640778354.db2.gz FUITVGLTRSFSBR-SFHVURJKSA-N 1 0 288.435 3.144 20 10 CGCDRO CC(C)CCOCC[NH2+][C@H](C)c1cc(F)ccc1O ZINC000094618010 640800163 /nfs/dbraw/zinc/80/01/63/640800163.db2.gz WZDVQUVWDADOSI-GFCCVEGCSA-N 1 0 269.360 3.245 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]C[C@@H](O)c1ccccc1F ZINC000113326130 640975489 /nfs/dbraw/zinc/97/54/89/640975489.db2.gz INXVWIUXURZTFY-OAHLLOKOSA-N 1 0 295.741 3.008 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]CCCOC1CCCC1 ZINC000113331092 640975564 /nfs/dbraw/zinc/97/55/64/640975564.db2.gz UXZUCWJLKCQRGE-UHFFFAOYSA-N 1 0 283.799 3.485 20 10 CGCDRO CC[N@@H+](Cc1ccccc1O)C[C@@H](O)c1ccc(F)cc1 ZINC001252850022 806130665 /nfs/dbraw/zinc/13/06/65/806130665.db2.gz OQOAUJJRMHRANU-QGZVFWFLSA-N 1 0 289.350 3.087 20 10 CGCDRO Cc1ccc(NC2=CC[NH2+]C2)c(C(=O)c2ccccc2)c1 ZINC001159899645 806194539 /nfs/dbraw/zinc/19/45/39/806194539.db2.gz HGXMXMJZEPLIOU-UHFFFAOYSA-N 1 0 278.355 3.125 20 10 CGCDRO CCCCC[C@@H](O)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001253549735 806249920 /nfs/dbraw/zinc/24/99/20/806249920.db2.gz UEQZCRZEGGIJAV-GOSISDBHSA-N 1 0 290.451 3.318 20 10 CGCDRO CCCCC[C@@H](O)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001253557469 806255067 /nfs/dbraw/zinc/25/50/67/806255067.db2.gz LOLNALHDLLIOKR-OAHLLOKOSA-N 1 0 265.397 3.034 20 10 CGCDRO CCCCC[C@@H](O)C[NH2+]Cc1c(C)cc(C)cc1O ZINC001253557884 806255450 /nfs/dbraw/zinc/25/54/50/806255450.db2.gz PEKUDFQRLLCIDX-CQSZACIVSA-N 1 0 265.397 3.040 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)CN1CCCCC1)c1ccc(N(C)C)cc1 ZINC000037319550 798867017 /nfs/dbraw/zinc/86/70/17/798867017.db2.gz ZZBBUPDHLQUNJA-JKSUJKDBSA-N 1 0 289.467 3.278 20 10 CGCDRO Cc1n[nH]cc1C[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2C ZINC000038011186 798882877 /nfs/dbraw/zinc/88/28/77/798882877.db2.gz MYIRJVBDRDHGFA-GWCFXTLKSA-N 1 0 271.364 3.070 20 10 CGCDRO CN(C)C1(C[NH2+]Cc2cc(Cl)ccc2O)CCCC1 ZINC000112016923 798984620 /nfs/dbraw/zinc/98/46/20/798984620.db2.gz FVFQXVBRXBNLDO-UHFFFAOYSA-N 1 0 282.815 3.010 20 10 CGCDRO COc1cccc(C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)c1O ZINC000132374964 799030786 /nfs/dbraw/zinc/03/07/86/799030786.db2.gz YEDOJHPOOKVNGV-ZIAGYGMSSA-N 1 0 275.392 3.413 20 10 CGCDRO CC[C@@H]([NH2+]CC1(N(C)C)CCCC1)c1ccccc1O ZINC000160690697 799076994 /nfs/dbraw/zinc/07/69/94/799076994.db2.gz ORFFWEPFZREPML-OAHLLOKOSA-N 1 0 276.424 3.307 20 10 CGCDRO CCC(C)(C)OCC[NH2+]Cc1ccc(N(C)C)cc1 ZINC000308749066 799217344 /nfs/dbraw/zinc/21/73/44/799217344.db2.gz SUOYHODVXJRDPR-UHFFFAOYSA-N 1 0 264.413 3.047 20 10 CGCDRO CC[C@H](C)[C@@H](C[NH2+]Cc1cc(Cl)ccc1O)OC ZINC000381136753 799373917 /nfs/dbraw/zinc/37/39/17/799373917.db2.gz IKZYMEJYPQAISM-IINYFYTJSA-N 1 0 271.788 3.196 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]C[C@H]1Cc3ccccc31)CC2 ZINC000381211473 799374673 /nfs/dbraw/zinc/37/46/73/799374673.db2.gz VEQXEOXGAHSJOX-GDBMZVCRSA-N 1 0 265.356 3.309 20 10 CGCDRO COC1(CC[NH2+][C@H](C)c2cc(C)ccc2O)CCC1 ZINC000381927691 799390393 /nfs/dbraw/zinc/39/03/93/799390393.db2.gz WEKIKJXZPPYXJX-CYBMUJFWSA-N 1 0 263.381 3.310 20 10 CGCDRO CC[C@H]([NH2+]Cc1cccc(OC)c1O)C1CCCC1 ZINC000382783252 799396782 /nfs/dbraw/zinc/39/67/82/799396782.db2.gz IEDBREUEDXIGJI-AWEZNQCLSA-N 1 0 263.381 3.459 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)[C@H](C)O1 ZINC000385267694 799424643 /nfs/dbraw/zinc/42/46/43/799424643.db2.gz XSTNEUIIZAHGAI-VKJFTORMSA-N 1 0 288.435 3.332 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)[C@@H]2CCCOC2)c1 ZINC000388485326 799453755 /nfs/dbraw/zinc/45/37/55/799453755.db2.gz PJOCPOWNHIGMRH-MELADBBJSA-N 1 0 263.381 3.166 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)[C@H]2CCCOC2)cc1 ZINC000388903848 799457876 /nfs/dbraw/zinc/45/78/76/799457876.db2.gz AZYHFYPPOJVUKI-RDJZCZTQSA-N 1 0 290.451 3.438 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)[C@@H]1CCCOC1)c1ccccc1O ZINC000389041898 799459980 /nfs/dbraw/zinc/45/99/80/799459980.db2.gz ZOYQLJQNSCRCSZ-NFAWXSAZSA-N 1 0 263.381 3.248 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccnc(C)c2)c(O)c1 ZINC000391131704 799477103 /nfs/dbraw/zinc/47/71/03/799477103.db2.gz GTRNMXSEZSTAKP-CYBMUJFWSA-N 1 0 256.349 3.255 20 10 CGCDRO C[C@H]([NH2+]CC(C)(C)C(C)(C)O)c1ccc(N(C)C)cc1 ZINC000393595226 799488670 /nfs/dbraw/zinc/48/86/70/799488670.db2.gz AVSOPLNLZLDNQY-ZDUSSCGKSA-N 1 0 278.440 3.200 20 10 CGCDRO CC[C@@H](C)[C@@H](C[NH2+]Cc1c(O)cccc1Cl)OC ZINC000394480912 799496872 /nfs/dbraw/zinc/49/68/72/799496872.db2.gz LDTLXFDMECOERQ-QMTHXVAHSA-N 1 0 271.788 3.196 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H]2CC(C)C)c1 ZINC000396927826 799511038 /nfs/dbraw/zinc/51/10/38/799511038.db2.gz VYUPLZWUUVTNMZ-AWEZNQCLSA-N 1 0 263.381 3.411 20 10 CGCDRO C[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)CC(F)(F)F ZINC000396932362 799511383 /nfs/dbraw/zinc/51/13/83/799511383.db2.gz OSFXPUBNHIOXJK-JTQLQIEISA-N 1 0 273.298 3.300 20 10 CGCDRO CCOc1cccc(C[NH2+]C(C)(C)C2CCC2)c1O ZINC000398170452 799528367 /nfs/dbraw/zinc/52/83/67/799528367.db2.gz OEPKGDHUSZYKOX-UHFFFAOYSA-N 1 0 263.381 3.459 20 10 CGCDRO CCOc1cccc(C[NH+]2C[C@H](CC)O[C@@H](CC)C2)c1O ZINC000398733701 799532821 /nfs/dbraw/zinc/53/28/21/799532821.db2.gz NJEOIEJDHMFRKY-GJZGRUSLSA-N 1 0 293.407 3.180 20 10 CGCDRO CCOc1cccc(C[N@@H+]2C[C@@H](C)C[C@@H]2CC)c1O ZINC000399608847 799539844 /nfs/dbraw/zinc/53/98/44/799539844.db2.gz PZOSTCGGDBSRMK-JSGCOSHPSA-N 1 0 263.381 3.411 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CC[C@H]3C[C@H]3C2)c1 ZINC000403356237 799565586 /nfs/dbraw/zinc/56/55/86/799565586.db2.gz JJSRVIZVDWABAL-ZDEQEGDKSA-N 1 0 261.365 3.240 20 10 CGCDRO CC[C@@H]1C[N@H+](Cc2cccc(C)c2O)[C@H](CC)CO1 ZINC000403890108 799571974 /nfs/dbraw/zinc/57/19/74/799571974.db2.gz WMJCAHRGNIPWQP-HUUCEWRRSA-N 1 0 263.381 3.090 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccns1)c1ccc(N(C)C)cc1 ZINC000404397932 799575386 /nfs/dbraw/zinc/57/53/86/799575386.db2.gz TYJJQZAVFAABPC-LLVKDONJSA-N 1 0 261.394 3.060 20 10 CGCDRO CCn1cc(C[NH2+][C@@H](C)c2ccc3ccccc3c2O)nn1 ZINC000404505139 799576883 /nfs/dbraw/zinc/57/68/83/799576883.db2.gz LEKXUIZMWKTDLV-LBPRGKRZSA-N 1 0 296.374 3.008 20 10 CGCDRO COc1cc(Cl)cc(C[N@@H+]2C[C@H](OC)CC[C@@H]2C)c1O ZINC000687207167 799737632 /nfs/dbraw/zinc/73/76/32/799737632.db2.gz GEIOILOXJQAYFI-GXFFZTMASA-N 1 0 299.798 3.054 20 10 CGCDRO C[C@H]([NH2+][C@H]1COC2(CCC2)C1)c1ccc(N(C)C)cc1 ZINC000688281416 799746373 /nfs/dbraw/zinc/74/63/73/799746373.db2.gz DSGHFOLLUHXFPD-DZGCQCFKSA-N 1 0 274.408 3.115 20 10 CGCDRO Cc1ccc(CC[NH2+]Cc2cc(Cl)ccc2O)o1 ZINC000689750128 799767363 /nfs/dbraw/zinc/76/73/63/799767363.db2.gz YNSNAWZAXVOPNH-UHFFFAOYSA-N 1 0 265.740 3.279 20 10 CGCDRO C[C@H]1CC[C@@H]1[NH2+]Cc1ccc(Br)cc1O ZINC000691394130 799783550 /nfs/dbraw/zinc/78/35/50/799783550.db2.gz AOPRWLDZLGJQLA-KWQFWETISA-N 1 0 270.170 3.043 20 10 CGCDRO Oc1cc(Br)ccc1C[NH2+]CC1CCC1 ZINC000691396095 799784233 /nfs/dbraw/zinc/78/42/33/799784233.db2.gz QSMKBOCESOUTFL-UHFFFAOYSA-N 1 0 270.170 3.044 20 10 CGCDRO CCc1cccc(C[NH2+]Cc2ccccc2F)c1O ZINC000691511525 799785101 /nfs/dbraw/zinc/78/51/01/799785101.db2.gz KUKQRJJXMUJIEF-UHFFFAOYSA-N 1 0 259.324 3.384 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@H](C)c2ccccn2)c1O ZINC000692760409 799799144 /nfs/dbraw/zinc/79/91/44/799799144.db2.gz YOROYBMYUSCQGL-ZDUSSCGKSA-N 1 0 270.376 3.243 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]CCCc2ncccc2C)c1 ZINC000693656674 799813699 /nfs/dbraw/zinc/81/36/99/799813699.db2.gz PSOKKUHEVOKURA-UHFFFAOYSA-N 1 0 270.376 3.126 20 10 CGCDRO C[C@@H](Cc1ccccn1)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000694008100 799819165 /nfs/dbraw/zinc/81/91/65/799819165.db2.gz RFGGUHBQRYUFCC-RYUDHWBXSA-N 1 0 274.339 3.208 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)Cc2ccccn2)c1 ZINC000694001266 799819255 /nfs/dbraw/zinc/81/92/55/799819255.db2.gz VQYLCCXVMAOASH-KGLIPLIRSA-N 1 0 270.376 3.377 20 10 CGCDRO CC[C@@H](C)CC[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000696182486 799838879 /nfs/dbraw/zinc/83/88/79/799838879.db2.gz RPDOTQWIFAFLOU-NEPJUHHUSA-N 1 0 251.370 3.488 20 10 CGCDRO C1=C[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000698197348 799853942 /nfs/dbraw/zinc/85/39/42/799853942.db2.gz RJNFCVRORUCZCU-INIZCTEOSA-N 1 0 256.393 3.485 20 10 CGCDRO CS[C@H]1CC[C@@H]1[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000702001531 799900703 /nfs/dbraw/zinc/90/07/03/799900703.db2.gz GLVCTIJMJZPJES-HOCLYGCPSA-N 1 0 276.449 3.053 20 10 CGCDRO CCC[C@H](C[NH2+][C@H](C)c1cc(OC)ccc1O)OCC ZINC000705345225 799947963 /nfs/dbraw/zinc/94/79/63/799947963.db2.gz WRKYLVJVNNQFNG-TZMCWYRMSA-N 1 0 281.396 3.257 20 10 CGCDRO CCOc1cccc(C[NH2+]C[C@@H]2CCCC23CC3)c1O ZINC000706263096 799960573 /nfs/dbraw/zinc/96/05/73/799960573.db2.gz JHZLRKBXJQHTEI-AWEZNQCLSA-N 1 0 275.392 3.461 20 10 CGCDRO C[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000708435308 799988191 /nfs/dbraw/zinc/98/81/91/799988191.db2.gz ZLUCDVHUVLSXDZ-GFCCVEGCSA-N 1 0 295.251 3.445 20 10 CGCDRO CCOC[C@@H]1CCCC[N@@H+]1Cc1cccc(CC)c1O ZINC000709322254 800006733 /nfs/dbraw/zinc/00/67/33/800006733.db2.gz XCPZXQOMYOODES-INIZCTEOSA-N 1 0 277.408 3.346 20 10 CGCDRO C[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1ccccc1O ZINC000710719342 800038634 /nfs/dbraw/zinc/03/86/34/800038634.db2.gz JENOAMDUOKWPRI-BLLLJJGKSA-N 1 0 253.345 3.210 20 10 CGCDRO CC1(C)CC[C@H](C[NH2+][C@H]2CCc3cccc(O)c32)OC1 ZINC000711339240 800052247 /nfs/dbraw/zinc/05/22/47/800052247.db2.gz JJRRPSURRMOOCP-KGLIPLIRSA-N 1 0 275.392 3.174 20 10 CGCDRO CO[C@@H]1C[C@H]([NH2+]Cc2c(O)cccc2Cl)C12CCC2 ZINC000713470971 800109464 /nfs/dbraw/zinc/10/94/64/800109464.db2.gz NRTMQHFLEFMOMF-UONOGXRCSA-N 1 0 281.783 3.093 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC[C@H]2CCCS2)c1 ZINC000715753086 800146335 /nfs/dbraw/zinc/14/63/35/800146335.db2.gz ITMOHTGUOAWEBO-WCQYABFASA-N 1 0 281.421 3.337 20 10 CGCDRO Cc1nc(C[NH2+][C@H](C)c2ccccc2O)sc1C ZINC000719626138 800247169 /nfs/dbraw/zinc/24/71/69/800247169.db2.gz PORROPSHBWKZAC-SNVBAGLBSA-N 1 0 262.378 3.316 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1)c1ccccc1O ZINC000723628386 800331828 /nfs/dbraw/zinc/33/18/28/800331828.db2.gz HNEBZPGFDQGCJZ-BYNSBNAKSA-N 1 0 275.392 3.248 20 10 CGCDRO Cc1cc(O)c(C[NH+]2CCC(c3ccncn3)CC2)cc1C ZINC000840170784 800496110 /nfs/dbraw/zinc/49/61/10/800496110.db2.gz UYRHBGWHFQESAI-UHFFFAOYSA-N 1 0 297.402 3.179 20 10 CGCDRO CC(C)N(CCC[NH3+])c1ccc(C2=CCOCC2)cc1 ZINC001164122804 806896769 /nfs/dbraw/zinc/89/67/69/806896769.db2.gz PGRSLHKFXJKIFU-UHFFFAOYSA-N 1 0 274.408 3.054 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCC2CCOCC2)c(O)c1C ZINC001116565283 802379704 /nfs/dbraw/zinc/37/97/04/802379704.db2.gz ODLDZEDNPXCRJY-AWEZNQCLSA-N 1 0 277.408 3.476 20 10 CGCDRO C[C@H](COCC1CC1)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001118248482 802542074 /nfs/dbraw/zinc/54/20/74/802542074.db2.gz WTJOUHNODFOHKU-OAHLLOKOSA-N 1 0 288.435 3.192 20 10 CGCDRO CN(C)c1cc(F)c(C[NH2+]CCC(F)(F)F)cc1F ZINC001118909578 802616033 /nfs/dbraw/zinc/61/60/33/802616033.db2.gz VHAITFTUPXPWDB-UHFFFAOYSA-N 1 0 282.256 3.073 20 10 CGCDRO COc1ccc(C[N@@H+]2CC[C@H](CC(C)C)C2)c(O)c1OC ZINC001120018109 802725451 /nfs/dbraw/zinc/72/54/51/802725451.db2.gz MJUJXNOQSSTKFI-CYBMUJFWSA-N 1 0 293.407 3.277 20 10 CGCDRO CCc1ccc([C@H]2C[N@H+](Cc3ccc(N)cc3)CCO2)cc1 ZINC001120371158 802742780 /nfs/dbraw/zinc/74/27/80/802742780.db2.gz SPAHVHZTOKVMOC-LJQANCHMSA-N 1 0 296.414 3.405 20 10 CGCDRO Cc1c(C[NH+]2CCC3(CCOC3)CC2)c2ccccc2n1C ZINC001138252636 803879826 /nfs/dbraw/zinc/87/98/26/803879826.db2.gz OATXUBOQMGTIKP-UHFFFAOYSA-N 1 0 298.430 3.489 20 10 CGCDRO Cc1c(C[N@H+]2CCC[C@H]2CN(C)C)c2ccccc2n1C ZINC001138256577 803882029 /nfs/dbraw/zinc/88/20/29/803882029.db2.gz BIKSRARSLMSFLS-HNNXBMFYSA-N 1 0 285.435 3.013 20 10 CGCDRO CC[N@H+](Cc1ccccc1O)Cc1ccc(O)cc1OC ZINC001139143378 804136938 /nfs/dbraw/zinc/13/69/38/804136938.db2.gz PWHHJKUOKOCIBW-UHFFFAOYSA-N 1 0 287.359 3.129 20 10 CGCDRO Nc1ccc(C[NH2+][C@H]2CCc3c(F)cc(F)cc3C2)cc1 ZINC001246168453 804182852 /nfs/dbraw/zinc/18/28/52/804182852.db2.gz DKLGKCYCCCGNPY-HNNXBMFYSA-N 1 0 288.341 3.194 20 10 CGCDRO C[N@@H+](Cc1ccc(N2CCCC2)cc1)Cc1ccc(=O)[nH]c1 ZINC001139468501 804192603 /nfs/dbraw/zinc/19/26/03/804192603.db2.gz FQNAZGHRGZDYQO-UHFFFAOYSA-N 1 0 297.402 3.019 20 10 CGCDRO CC[N@H+](Cc1cc(Cl)ccn1)Cc1ccccc1O ZINC001139566081 804210225 /nfs/dbraw/zinc/21/02/25/804210225.db2.gz PFEPFYAGCWPIQI-UHFFFAOYSA-N 1 0 276.767 3.463 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](C(C)(C)C)C2)cc1 ZINC001246307900 804271992 /nfs/dbraw/zinc/27/19/92/804271992.db2.gz FLYWXVXOYCBNKP-NVXWUHKLSA-N 1 0 289.467 3.009 20 10 CGCDRO CC[N@H+](Cc1cccnc1)Cc1c(C)ccc(C)c1O ZINC001140182187 804396464 /nfs/dbraw/zinc/39/64/64/804396464.db2.gz JWGGENWSUHHNDX-UHFFFAOYSA-N 1 0 270.376 3.426 20 10 CGCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@H](COCC3CC3)C2)c1O ZINC001140183328 804396801 /nfs/dbraw/zinc/39/68/01/804396801.db2.gz CDXYTTARBIGOEG-INIZCTEOSA-N 1 0 289.419 3.258 20 10 CGCDRO Oc1cccc(Cl)c1C[N@@H+]1CCC[C@@H](F)CC1 ZINC001140337742 804418133 /nfs/dbraw/zinc/41/81/33/804418133.db2.gz BYKWGCPDBKUACN-SNVBAGLBSA-N 1 0 257.736 3.370 20 10 CGCDRO Oc1cccc2c1CCN(Cc1ccc(Cl)cc1O)C2 ZINC001140461671 804441429 /nfs/dbraw/zinc/44/14/29/804441429.db2.gz QCOORSLNJXDYEF-UHFFFAOYSA-N 1 0 289.762 3.310 20 10 CGCDRO [O-]c1cc(F)cc(F)c1C[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC001140583476 804466280 /nfs/dbraw/zinc/46/62/80/804466280.db2.gz ILWSARHWXFXJLC-ZETCQYMHSA-N 1 0 281.224 3.055 20 10 CGCDRO COCC[C@H]1CCCC[N@@H+]1Cc1cc(C)ccc1O ZINC001140621025 804476504 /nfs/dbraw/zinc/47/65/04/804476504.db2.gz MLAJFQLSXFMDRX-OAHLLOKOSA-N 1 0 263.381 3.092 20 10 CGCDRO CC[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1F ZINC001140661590 804485457 /nfs/dbraw/zinc/48/54/57/804485457.db2.gz KNELXFIGLQVTJK-OAHLLOKOSA-N 1 0 292.398 3.037 20 10 CGCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1F)C1CCCC1 ZINC001140661677 804486232 /nfs/dbraw/zinc/48/62/32/804486232.db2.gz NURJYDUPVKDSCX-UHFFFAOYSA-N 1 0 292.398 3.037 20 10 CGCDRO Cc1c(O)ccc(C[NH+]2CCC3(CC(F)(F)C3)CC2)c1O ZINC001140744363 804502495 /nfs/dbraw/zinc/50/24/95/804502495.db2.gz UWCSYMOXMILLOF-UHFFFAOYSA-N 1 0 297.345 3.418 20 10 CGCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@H](Cc3ccccc3)C2)c1O ZINC001140745741 804503596 /nfs/dbraw/zinc/50/35/96/804503596.db2.gz MZXXXSARPLQWRX-MRXNPFEDSA-N 1 0 297.398 3.471 20 10 CGCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@@H]2c2ccccc2)c1O ZINC001140749271 804504407 /nfs/dbraw/zinc/50/44/07/804504407.db2.gz UWIWNSPJVZPCEM-OAHLLOKOSA-N 1 0 269.344 3.353 20 10 CGCDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@H]3CCC[C@H]32)c1O ZINC001140747367 804504890 /nfs/dbraw/zinc/50/48/90/804504890.db2.gz AJIFLWQZOOKUPC-TZMCWYRMSA-N 1 0 261.365 3.171 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H](F)C[C@H]2C)c(O)c1 ZINC001140850321 804533999 /nfs/dbraw/zinc/53/39/99/804533999.db2.gz IUZYHAHAFHVCRX-TZMCWYRMSA-N 1 0 280.387 3.171 20 10 CGCDRO CCN(CC)c1ccc(C[NH+]2CC3CC(C3)C2)c(O)c1 ZINC001140856981 804534823 /nfs/dbraw/zinc/53/48/23/804534823.db2.gz KFRPMCYMUPWFOF-UHFFFAOYSA-N 1 0 274.408 3.080 20 10 CGCDRO C[C@@H]1CCN(Cc2ccc(N(C)C)cc2Cl)CCC1=O ZINC001140922195 804549228 /nfs/dbraw/zinc/54/92/28/804549228.db2.gz JVEBBASLURZRDQ-GFCCVEGCSA-N 1 0 294.826 3.207 20 10 CGCDRO C[C@@H]1C[C@H](F)CN1Cc1ccc(N(C)C)cc1Cl ZINC001140921639 804549665 /nfs/dbraw/zinc/54/96/65/804549665.db2.gz LHQRAJBEVMIPFM-PWSUYJOCSA-N 1 0 270.779 3.338 20 10 CGCDRO CC[NH+](CC)C1CCN(Cc2ccc(C)cc2O)CC1 ZINC001140949709 804556490 /nfs/dbraw/zinc/55/64/90/804556490.db2.gz ITZDYHFMOVXKRE-UHFFFAOYSA-N 1 0 276.424 3.007 20 10 CGCDRO Cc1ccc(C[N@@H+]2CC[C@@H](Oc3ncccc3C)C2)c(O)c1 ZINC001140953783 804558675 /nfs/dbraw/zinc/55/86/75/804558675.db2.gz GQWBKZWNPONVOU-MRXNPFEDSA-N 1 0 298.386 3.057 20 10 CGCDRO CC(C)(C)C1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141156452 804599972 /nfs/dbraw/zinc/59/99/72/804599972.db2.gz KVJYWNMHEMMGLP-UHFFFAOYSA-N 1 0 263.381 3.356 20 10 CGCDRO C[N@H+](CC/C=C/c1cccnc1)Cc1cc(O)ccc1O ZINC001141162198 804601704 /nfs/dbraw/zinc/60/17/04/804601704.db2.gz MFRKJNQXFVDXPB-GORDUTHDSA-N 1 0 284.359 3.028 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2cccc(C(C)(C)C)c2O)CCCO1 ZINC001143104363 804801429 /nfs/dbraw/zinc/80/14/29/804801429.db2.gz SDTUBTFFNDMFCF-CYBMUJFWSA-N 1 0 277.408 3.301 20 10 CGCDRO CC(C)(C)c1cccc(C[N@@H+]2CC[C@@H](F)C2)c1O ZINC001143103897 804802639 /nfs/dbraw/zinc/80/26/39/804802639.db2.gz MRWNVADSRZFZCG-GFCCVEGCSA-N 1 0 251.345 3.234 20 10 CGCDRO C[C@@H]1C[C@@H](O)CC[N@@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001143111480 804803137 /nfs/dbraw/zinc/80/31/37/804803137.db2.gz BYOBOSKMLLTJMT-OCCSQVGLSA-N 1 0 277.408 3.035 20 10 CGCDRO CCO[C@@H]1CC[N@H+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143112095 804804040 /nfs/dbraw/zinc/80/40/40/804804040.db2.gz JZYJKILTQZHNDK-CQSZACIVSA-N 1 0 277.408 3.301 20 10 CGCDRO Cc1ccc([C@@H]2CCC[N@@H+]2Cc2c(O)cc(O)cc2O)cc1 ZINC001144509016 804998028 /nfs/dbraw/zinc/99/80/28/804998028.db2.gz HRRJQJIVSFIWND-INIZCTEOSA-N 1 0 299.370 3.449 20 10 CGCDRO CC[C@H](C)c1nn(C)cc1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001249408515 805142637 /nfs/dbraw/zinc/14/26/37/805142637.db2.gz GALRLEBYUCCRRY-ZDUSSCGKSA-N 1 0 299.418 3.198 20 10 CGCDRO CCN(Cc1ccccc1O)c1ncnc2[nH]c(C)c(C)c21 ZINC001154889126 805504781 /nfs/dbraw/zinc/50/47/81/805504781.db2.gz PDOURWXMGXYKHM-UHFFFAOYSA-N 1 0 296.374 3.307 20 10 CGCDRO CCC(CC)[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC001257294783 807089893 /nfs/dbraw/zinc/08/98/93/807089893.db2.gz RYGXDBPREBWGCZ-UHFFFAOYSA-N 1 0 262.397 3.006 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(NCC(C)(C)C(N)=O)cc1 ZINC001167604567 807213013 /nfs/dbraw/zinc/21/30/13/807213013.db2.gz BKZGQNYPUPRSRZ-UHFFFAOYSA-N 1 0 285.391 3.018 20 10 CGCDRO c1cc(N2CCCC2)ccc1C[NH2+][C@H]1C[C@H]2C[C@H]2C1 ZINC001167894467 807268562 /nfs/dbraw/zinc/26/85/62/807268562.db2.gz NZPWTICZQRKKKC-ZSHCYNCHSA-N 1 0 256.393 3.175 20 10 CGCDRO CCOC(=O)CCC[C@H](C)[NH2+][C@H](C)c1ccccc1O ZINC001258107937 807311081 /nfs/dbraw/zinc/31/10/81/807311081.db2.gz YVRWYMCALVAFAE-QWHCGFSZSA-N 1 0 279.380 3.165 20 10 CGCDRO CSC(C)(C)C[C@H](C)[NH2+]CCc1ccc(O)c(O)c1 ZINC001258321824 807409275 /nfs/dbraw/zinc/40/92/75/807409275.db2.gz RNQLMLDBNXISOF-NSHDSACASA-N 1 0 283.437 3.150 20 10 CGCDRO CSC(C)(C)C[C@H](C)[NH2+]Cc1ccc(O)cc1O ZINC001258323914 807410338 /nfs/dbraw/zinc/41/03/38/807410338.db2.gz JNSONFWGJVUKGG-JTQLQIEISA-N 1 0 269.410 3.108 20 10 CGCDRO Nc1ccc(C[N@@H+]2CCC[C@@H]2c2ccccn2)cc1 ZINC001262487206 807867600 /nfs/dbraw/zinc/86/76/00/807867600.db2.gz NMVBBNYYFYJSLK-MRXNPFEDSA-N 1 0 253.349 3.001 20 10 CGCDRO Oc1cccc2c1C[N@@H+]([C@@H]1CSc3ccccc3C1)CC2 ZINC001172204371 808197292 /nfs/dbraw/zinc/19/72/92/808197292.db2.gz ARMQFPNUMIECBF-HNNXBMFYSA-N 1 0 297.423 3.467 20 10 CGCDRO CC(C)OCC[C@H](C)[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001172456259 808326508 /nfs/dbraw/zinc/32/65/08/808326508.db2.gz NBRCZHPTTPRDSM-ZDUSSCGKSA-N 1 0 293.407 3.050 20 10 CGCDRO COc1cccc2c1C[C@@H]([NH2+][C@H](C)c1ccccc1O)CO2 ZINC001173150849 808527181 /nfs/dbraw/zinc/52/71/81/808527181.db2.gz HVZHMAVIHPQASV-CHWSQXEVSA-N 1 0 299.370 3.055 20 10 CGCDRO COc1ccc(N2CC[C@H]3C[N@@H+](C4CCCC4)C[C@H]32)cc1 ZINC001276926459 809045403 /nfs/dbraw/zinc/04/54/03/809045403.db2.gz DNTNMSVIWZLMNM-KBXCAEBGSA-N 1 0 286.419 3.148 20 10 CGCDRO Cc1c[nH+]ccc1Nc1c(O)cccc1Br ZINC001174540362 809073171 /nfs/dbraw/zinc/07/31/71/809073171.db2.gz XEMBVCOLRHAHGE-UHFFFAOYSA-N 1 0 279.137 3.024 20 10 CGCDRO COCC1([N@H+](C)Cc2ccc(N(C)C)c(C)c2)CCC1 ZINC001175965724 809584455 /nfs/dbraw/zinc/58/44/55/809584455.db2.gz QDARNYMLFSDATO-UHFFFAOYSA-N 1 0 276.424 3.062 20 10 CGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)C2(C)CC2)c1O ZINC001176767667 809759076 /nfs/dbraw/zinc/75/90/76/809759076.db2.gz PYBOEYHJSGHJDP-JTQLQIEISA-N 1 0 265.328 3.012 20 10 CGCDRO CSC1(C[NH2+]Cc2ccc3c(c2)CCCO3)CCC1 ZINC001178581474 809878290 /nfs/dbraw/zinc/87/82/90/809878290.db2.gz MQUGJJPQCGQUAX-UHFFFAOYSA-N 1 0 277.433 3.387 20 10 CGCDRO COCC[N@H+](CCc1ccccc1)Cc1ccc(C)cc1O ZINC001179942502 809961531 /nfs/dbraw/zinc/96/15/31/809961531.db2.gz RDGJWQTUEQMRED-UHFFFAOYSA-N 1 0 299.414 3.392 20 10 CGCDRO C[C@@H]1C[N@H+](C/C=C\c2ccc(N(C)C)cc2)CC(C)(C)O1 ZINC001180039092 809968325 /nfs/dbraw/zinc/96/83/25/809968325.db2.gz LHKHVBGYPRNPRB-IDTUSYRASA-N 1 0 288.435 3.265 20 10 CGCDRO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1cc(C(C)C)ccc1O ZINC001180091936 809972761 /nfs/dbraw/zinc/97/27/61/809972761.db2.gz HBYLVYPOAAXRAQ-HNNXBMFYSA-N 1 0 291.391 3.043 20 10 CGCDRO CC1(C)CCC[N@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001180906977 810026983 /nfs/dbraw/zinc/02/69/83/810026983.db2.gz OGQWSKAVPWZQKG-UHFFFAOYSA-N 1 0 255.308 3.292 20 10 CGCDRO Cc1ccncc1C[NH2+]Cc1ccc(Cl)cc1O ZINC001181921808 810084239 /nfs/dbraw/zinc/08/42/39/810084239.db2.gz URUVGCHMTQYPPO-UHFFFAOYSA-N 1 0 262.740 3.039 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+][C@H](C)CCCCO)c1 ZINC001181913387 810084252 /nfs/dbraw/zinc/08/42/52/810084252.db2.gz OJGFIBVCUUIBJL-CYBMUJFWSA-N 1 0 265.397 3.156 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]Cc1cccc2n[nH]cc21 ZINC001182686271 810120539 /nfs/dbraw/zinc/12/05/39/810120539.db2.gz ZYPBUSWHJHUIHO-UHFFFAOYSA-N 1 0 287.750 3.212 20 10 CGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CCC[C@@H](F)C2)c1 ZINC001182756155 810123339 /nfs/dbraw/zinc/12/33/39/810123339.db2.gz WZTPFDCFXZHQJB-CQSZACIVSA-N 1 0 251.345 3.450 20 10 CGCDRO Oc1cc(Cl)ccc1C[NH+]1CCC(c2ccon2)CC1 ZINC001182970771 810133799 /nfs/dbraw/zinc/13/37/99/810133799.db2.gz RIWAEOGPYPVHAK-UHFFFAOYSA-N 1 0 292.766 3.413 20 10 CGCDRO Oc1cc(Br)ccc1C[NH2+][C@@H]1C[C@@H]2CCC[C@@H]12 ZINC001184250161 810185373 /nfs/dbraw/zinc/18/53/73/810185373.db2.gz CRHPCAWSWPJJIN-ZWKOPEQDSA-N 1 0 296.208 3.433 20 10 CGCDRO CCc1cc(Nc2ccc(OC(F)(F)F)cc2O)cc[nH+]1 ZINC001214390137 815403314 /nfs/dbraw/zinc/40/33/14/815403314.db2.gz YSMCGQCUVPDLFR-UHFFFAOYSA-N 1 0 298.264 3.414 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2Cc3ccccc32)cc1F ZINC001200204531 811644886 /nfs/dbraw/zinc/64/48/86/811644886.db2.gz SSNILDDTTBMWGO-HNNXBMFYSA-N 1 0 284.378 3.321 20 10 CGCDRO OC1(C[NH2+]Cc2ccc3c(c2)CCCO3)CCCCCC1 ZINC001200640579 811724316 /nfs/dbraw/zinc/72/43/16/811724316.db2.gz VEPBUSNYHBBIPU-UHFFFAOYSA-N 1 0 289.419 3.187 20 10 CGCDRO COc1ccc2c(Nc3cccc(O)c3O)cc[nH+]c2c1 ZINC001203525723 812385698 /nfs/dbraw/zinc/38/56/98/812385698.db2.gz CSXYGXLXBGYZMV-UHFFFAOYSA-N 1 0 282.299 3.398 20 10 CGCDRO O=C1CCC2(CC1)CC[NH+](Cc1ccccc1O)CC2 ZINC001203558334 812392056 /nfs/dbraw/zinc/39/20/56/812392056.db2.gz FQNUXGWJVXWGLA-UHFFFAOYSA-N 1 0 273.376 3.118 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H]2C(C)(C)OC)c1O ZINC001203609041 812405321 /nfs/dbraw/zinc/40/53/21/812405321.db2.gz GXWYSHYHNBLTTG-OAHLLOKOSA-N 1 0 293.407 3.180 20 10 CGCDRO CCN(CC[NH+](CC)CC)Cc1cc(Cl)ccc1O ZINC001203657173 812418435 /nfs/dbraw/zinc/41/84/35/812418435.db2.gz HAFQXYHXADXOAZ-UHFFFAOYSA-N 1 0 284.831 3.209 20 10 CGCDRO Oc1ccc(C[N@@H+]2CCCC3(CC(F)C3)CC2)cc1O ZINC001203878446 812478522 /nfs/dbraw/zinc/47/85/22/812478522.db2.gz AAWRQGLIURQRGA-UHFFFAOYSA-N 1 0 279.355 3.202 20 10 CGCDRO CC[N@H+](Cc1ccc(O)c(OC)c1)Cc1ccccc1O ZINC001204118353 812551548 /nfs/dbraw/zinc/55/15/48/812551548.db2.gz ODPVUXRBOKOQGU-UHFFFAOYSA-N 1 0 287.359 3.129 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCc3cccc(O)c3C2)cc1 ZINC001204174276 812565128 /nfs/dbraw/zinc/56/51/28/812565128.db2.gz MNDCNIRGLGKLIU-UHFFFAOYSA-N 1 0 253.345 3.259 20 10 CGCDRO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001204232879 812579808 /nfs/dbraw/zinc/57/98/08/812579808.db2.gz LBLPEIWNCSEPJM-GDBMZVCRSA-N 1 0 298.430 3.251 20 10 CGCDRO CN(C)c1ccc(C[NH+]2CC3(C2)CCOC3)c2ccccc21 ZINC001204232921 812579900 /nfs/dbraw/zinc/57/99/00/812579900.db2.gz LSXWZJMGSQAUKH-UHFFFAOYSA-N 1 0 296.414 3.128 20 10 CGCDRO COc1cc(C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)cc(O)c1O ZINC001204345128 812615610 /nfs/dbraw/zinc/61/56/10/812615610.db2.gz MIFUPRUBNCFDAQ-KGLIPLIRSA-N 1 0 291.391 3.261 20 10 CGCDRO CC[N@H+](Cc1cccs1)Cc1cc(O)c(O)c(OC)c1 ZINC001204348623 812618268 /nfs/dbraw/zinc/61/82/68/812618268.db2.gz FQZOBDHPJQELCC-UHFFFAOYSA-N 1 0 293.388 3.190 20 10 CGCDRO CCC[C@H](C)[N@H+](C)Cc1c(C)cc(OC)cc1O ZINC001204888168 812765306 /nfs/dbraw/zinc/76/53/06/812765306.db2.gz DZCALNUTFFCMIJ-LBPRGKRZSA-N 1 0 251.370 3.330 20 10 CGCDRO CC(C)c1ccc(O)c(CN2CCC[C@H]2c2ncon2)c1 ZINC001204916632 812774177 /nfs/dbraw/zinc/77/41/77/812774177.db2.gz RQABFPXXGCMKLJ-AWEZNQCLSA-N 1 0 287.363 3.236 20 10 CGCDRO Oc1cc(Cl)ccc1C[N@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC001207167222 813502438 /nfs/dbraw/zinc/50/24/38/813502438.db2.gz KLWFOMYRCVGVSZ-TXEJJXNPSA-N 1 0 263.768 3.444 20 10 CGCDRO Cc1ccc(C[N@@H+]2C[C@H]3[C@H]4C=C[C@H](C4)[C@@]3(C)C2)c(O)c1 ZINC001207691468 813636338 /nfs/dbraw/zinc/63/63/38/813636338.db2.gz KZMRKWMFFVOUQO-JXSMBQFASA-N 1 0 269.388 3.345 20 10 CGCDRO CCOc1ccc(N2CC[NH+](CCC3CC3)CC2)cc1 ZINC001208685588 813794608 /nfs/dbraw/zinc/79/46/08/813794608.db2.gz CLGAEGJTOSQPDT-UHFFFAOYSA-N 1 0 274.408 3.007 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CCC[C@H](O)C2)cc1 ZINC001209517030 814070917 /nfs/dbraw/zinc/07/09/17/814070917.db2.gz WWLRGNYDHQYURD-SFHVURJKSA-N 1 0 284.403 3.051 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CC[C@H](O)[C@@H](C)C2)cc1 ZINC001209516173 814071058 /nfs/dbraw/zinc/07/10/58/814071058.db2.gz BOUUDOPPTLAOHE-LIRRHRJNSA-N 1 0 298.430 3.297 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)cc1 ZINC001209516997 814071099 /nfs/dbraw/zinc/07/10/99/814071099.db2.gz WGHTUJMETAUHGG-HDICACEKSA-N 1 0 296.414 3.172 20 10 CGCDRO Oc1ccc2ccccc2c1C[N@@H+]1CCCC2(COC2)C1 ZINC001231586386 818130361 /nfs/dbraw/zinc/13/03/61/818130361.db2.gz GJFUMISQYJCHRN-UHFFFAOYSA-N 1 0 283.371 3.158 20 10 CGCDRO Oc1ccc2ccccc2c1C[NH+]1CC2CC(C2)C1 ZINC001231591114 818131482 /nfs/dbraw/zinc/13/14/82/818131482.db2.gz UAJVGNQXMSPKHW-UHFFFAOYSA-N 1 0 253.345 3.387 20 10 CGCDRO Cc1cccc(CN2CCC[C@@H](F)C(F)(F)C2)c1O ZINC001231590994 818131561 /nfs/dbraw/zinc/13/15/61/818131561.db2.gz NFOIUPVOZYIRGY-GFCCVEGCSA-N 1 0 273.298 3.270 20 10 CGCDRO Oc1ccc2ccccc2c1C[N@@H+]1CC[C@@H]2OCC[C@H]2C1 ZINC001231590686 818131612 /nfs/dbraw/zinc/13/16/12/818131612.db2.gz KRXMMLQJTRRPOI-KSSFIOAISA-N 1 0 283.371 3.156 20 10 CGCDRO Cc1cccc(C[NH+]2CCC3(CC(F)(F)CO3)CC2)c1O ZINC001231592020 818132323 /nfs/dbraw/zinc/13/23/23/818132323.db2.gz NXJNTTXWNOSNDZ-UHFFFAOYSA-N 1 0 297.345 3.091 20 10 CGCDRO COc1cc(C[N@H+](C)CC2CCCCC2)c(O)cc1O ZINC001231638404 818144122 /nfs/dbraw/zinc/14/41/22/818144122.db2.gz ZLHKBOMBLZHHQF-UHFFFAOYSA-N 1 0 279.380 3.119 20 10 CGCDRO COc1cc(N(C)C)ccc1C[NH+]1CC(c2ccccc2)C1 ZINC001231854780 818189271 /nfs/dbraw/zinc/18/92/71/818189271.db2.gz LXNXYFYXVKNYML-UHFFFAOYSA-N 1 0 296.414 3.361 20 10 CGCDRO COc1cc(N(C)C)ccc1C[NH+]1CC2(C1)CCCC2 ZINC001231851864 818189414 /nfs/dbraw/zinc/18/94/14/818189414.db2.gz NTVJZKQORUPBIJ-UHFFFAOYSA-N 1 0 274.408 3.137 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC3(CC3)C2)cc1Cl ZINC001231868530 818191767 /nfs/dbraw/zinc/19/17/67/818191767.db2.gz VQCOLAKXZQUKLL-UHFFFAOYSA-N 1 0 251.757 3.340 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H]3CCCO[C@@H]3C2)cc1Cl ZINC001231868825 818193124 /nfs/dbraw/zinc/19/31/24/818193124.db2.gz ZBCZDJTXSLNATM-MLGOLLRUSA-N 1 0 295.810 3.355 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2ccc3ccccc3c2O)CCC[C@H]1O ZINC001231879466 818199142 /nfs/dbraw/zinc/19/91/42/818199142.db2.gz DFOBDEGHGVBPCJ-CXAGYDPISA-N 1 0 285.387 3.138 20 10 CGCDRO COc1cc(O)c(C[N@H+](C)CC2CCC2)cc1Cl ZINC001232265445 818297432 /nfs/dbraw/zinc/29/74/32/818297432.db2.gz WMLBCLLLXOECIZ-UHFFFAOYSA-N 1 0 269.772 3.286 20 10 CGCDRO CC[C@@H]1CCC[N@@H+]1Cc1cc(Cl)c(O)cc1O ZINC001232263116 818298152 /nfs/dbraw/zinc/29/81/52/818298152.db2.gz HLPYAJJUCFUTTR-SNVBAGLBSA-N 1 0 255.745 3.126 20 10 CGCDRO Cc1ccccc1C[N@@H+](C)Cc1ccc(N(C)C)cc1O ZINC001232838896 818453161 /nfs/dbraw/zinc/45/31/61/818453161.db2.gz KCCLQQSLNKYAAQ-UHFFFAOYSA-N 1 0 284.403 3.399 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H]3CCC[C@H]32)c(O)c1 ZINC001232840030 818453176 /nfs/dbraw/zinc/45/31/76/818453176.db2.gz KKPWAFQAOOARKD-CZUORRHYSA-N 1 0 274.408 3.223 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H]2c2ccncc2)c(O)c1 ZINC001232839224 818453420 /nfs/dbraw/zinc/45/34/20/818453420.db2.gz NLAQYNHTIUJNAU-KRWDZBQOSA-N 1 0 297.402 3.190 20 10 CGCDRO CC[NH+](CC)CCN(C)Cc1cc(C(C)(C)C)ccc1O ZINC001233283810 818565358 /nfs/dbraw/zinc/56/53/58/818565358.db2.gz WSHASRNLCRAMCH-UHFFFAOYSA-N 1 0 292.467 3.463 20 10 CGCDRO COc1cc(Cl)cc(C[N@H+](C)C2CC(F)(F)C2)c1O ZINC001233287204 818569770 /nfs/dbraw/zinc/56/97/70/818569770.db2.gz BKCNOTLFWALKRT-UHFFFAOYSA-N 1 0 291.725 3.284 20 10 CGCDRO C[C@@H]1CCC[N@@H+]1Cc1cccc(OC(F)(F)F)c1O ZINC001233726781 818692345 /nfs/dbraw/zinc/69/23/45/818692345.db2.gz HQRNYOOUFMXKCQ-SECBINFHSA-N 1 0 275.270 3.275 20 10 CGCDRO CC[NH+]1CCN(c2ccc(O[C@@H](C)C3CC3)cc2)CC1 ZINC001234657979 818908265 /nfs/dbraw/zinc/90/82/65/818908265.db2.gz PKOFDHMAQSFAQO-AWEZNQCLSA-N 1 0 274.408 3.006 20 10 CGCDRO C[C@@]1(O)CC[N@H+](Cc2cccc(-c3ccccc3)c2O)C1 ZINC001235002926 818976307 /nfs/dbraw/zinc/97/63/07/818976307.db2.gz RYQXPWNTBIMRPB-GOSISDBHSA-N 1 0 283.371 3.016 20 10 CGCDRO CC(C)(C)c1cccc(CN2CCC[C@]23CC[NH2+]C3)c1O ZINC001235110302 819005824 /nfs/dbraw/zinc/00/58/24/819005824.db2.gz KKRCHIPIMLJFGI-GOSISDBHSA-N 1 0 288.435 3.018 20 10 CGCDRO CC(C)(C)c1ccc(C[N@@H+]2CCCC[C@H](O)C2)c(O)c1 ZINC001235676370 819136595 /nfs/dbraw/zinc/13/65/95/819136595.db2.gz RKMGKIUSULMADF-HNNXBMFYSA-N 1 0 277.408 3.037 20 10 CGCDRO CC(C)(C)c1ccc(C[N@@H+]2CC[C@@]3(CCCO3)C2)c(O)c1 ZINC001235683694 819141476 /nfs/dbraw/zinc/14/14/76/819141476.db2.gz TXULJALOBAWRRO-SFHVURJKSA-N 1 0 289.419 3.445 20 10 CGCDRO CN(Cc1cc2ccccc2cc1O)[C@]1(C)CCC[NH2+]C1 ZINC001236206156 819369077 /nfs/dbraw/zinc/36/90/77/819369077.db2.gz ITAWJGMHOPMGPL-GOSISDBHSA-N 1 0 284.403 3.119 20 10 CGCDRO Cc1cc(O)c(CN(C)[C@@H]2CCCC[C@@H]2[NH3+])cc1Cl ZINC001236214702 819379133 /nfs/dbraw/zinc/37/91/33/819379133.db2.gz DTZITHLSZAVRJE-UONOGXRCSA-N 1 0 282.815 3.056 20 10 CGCDRO Nc1ccc(C[N@@H+]2CCOC[C@H]2C2CCCCC2)cc1 ZINC001236433276 819476633 /nfs/dbraw/zinc/47/66/33/819476633.db2.gz GMBWNPUITAUMHX-KRWDZBQOSA-N 1 0 274.408 3.050 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@](C)(F)CC2)cc1OC ZINC001236751303 819590311 /nfs/dbraw/zinc/59/03/11/819590311.db2.gz SZGUXRRHJZWCRX-MRXNPFEDSA-N 1 0 297.370 3.124 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](C)[C@@H](C)C2)cc1OC ZINC001236749054 819590530 /nfs/dbraw/zinc/59/05/30/819590530.db2.gz FLCBEUFHTATAHZ-OLZOCXBDSA-N 1 0 293.407 3.277 20 10 CGCDRO CCc1ccc(C[N@@H+]2CCC(F)(F)[C@@H](C)C2)c(O)c1 ZINC001236783848 819593530 /nfs/dbraw/zinc/59/35/30/819593530.db2.gz OTQKGGSMMKZUNO-NSHDSACASA-N 1 0 269.335 3.432 20 10 CGCDRO COc1cc(C)c(C[NH+]2CC3CCC(CC3)C2)c(O)c1 ZINC001236822019 819607785 /nfs/dbraw/zinc/60/77/85/819607785.db2.gz XMQHTKKLIQLACB-UHFFFAOYSA-N 1 0 275.392 3.331 20 10 CGCDRO CN1C[C@H]2[C@H](C1)CCC[N@@H+]2Cc1cc2ccccc2cc1O ZINC001236833172 819613229 /nfs/dbraw/zinc/61/32/29/819613229.db2.gz PDXBOYOGDWLDRE-WMZOPIPTSA-N 1 0 296.414 3.071 20 10 CGCDRO CC(=O)[C@H]1CCCC[N@@H+]1Cc1cc2ccccc2cc1O ZINC001236837014 819617397 /nfs/dbraw/zinc/61/73/97/819617397.db2.gz MALYHHLMIGAVGV-QGZVFWFLSA-N 1 0 283.371 3.489 20 10 CGCDRO CC(C)c1ccc(CN2CC[NH+](C(C)(C)C)CC2)c(O)c1 ZINC001237048814 819652571 /nfs/dbraw/zinc/65/25/71/819652571.db2.gz IRPYWMSZPDTZID-UHFFFAOYSA-N 1 0 290.451 3.432 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2CCC[C@@H](F)C2)c(O)c1 ZINC001237054377 819654399 /nfs/dbraw/zinc/65/43/99/819654399.db2.gz XIOJHZHUADVKLR-CQSZACIVSA-N 1 0 251.345 3.450 20 10 CGCDRO C[N@H+](Cc1ccccn1)Cc1cc(C(F)(F)F)ccc1O ZINC001237138249 819674592 /nfs/dbraw/zinc/67/45/92/819674592.db2.gz WFKNIRMXNMIJIR-UHFFFAOYSA-N 1 0 296.292 3.438 20 10 CGCDRO Cc1cccc(O)c1C[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC001237483256 819761071 /nfs/dbraw/zinc/76/10/71/819761071.db2.gz PEVZONHXCMKGKK-SFHVURJKSA-N 1 0 296.414 3.189 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCOC2(CCCCC2)C1 ZINC001237493077 819763912 /nfs/dbraw/zinc/76/39/12/819763912.db2.gz VKYJZVJKVQGHTK-UHFFFAOYSA-N 1 0 275.392 3.236 20 10 CGCDRO CCC(CC)[N@H+](C)Cc1cc(OC)cc(OC)c1O ZINC001237679562 819807408 /nfs/dbraw/zinc/80/74/08/819807408.db2.gz WLTWKGMMLSHQRW-UHFFFAOYSA-N 1 0 267.369 3.030 20 10 CGCDRO CC[N@@H+]1CCN(Cc2cc(Cl)cc(C)c2O)C(C)(C)C1 ZINC001237690975 819808213 /nfs/dbraw/zinc/80/82/13/819808213.db2.gz VXVWOARMOBVEEK-UHFFFAOYSA-N 1 0 296.842 3.270 20 10 CGCDRO CCN(CC[NH+]1CCCC1)Cc1cc(Cl)cc(C)c1O ZINC001237687862 819808796 /nfs/dbraw/zinc/80/87/96/819808796.db2.gz WZOOWVOUBPNWHF-UHFFFAOYSA-N 1 0 296.842 3.272 20 10 CGCDRO Cc1cc(F)cc(C[N@@H+]2CC[C@H]3CCC[C@@H]3C2)c1O ZINC001238064486 819921192 /nfs/dbraw/zinc/92/11/92/819921192.db2.gz PMEQIKLKUOFNJK-CHWSQXEVSA-N 1 0 263.356 3.462 20 10 CGCDRO Cc1cc(F)cc(C[N@H+]2CC[C@@H](C)[C@H](F)C2)c1O ZINC001238057876 819921473 /nfs/dbraw/zinc/92/14/73/819921473.db2.gz PGIHUUGOTFLSEX-NOZJJQNGSA-N 1 0 255.308 3.020 20 10 CGCDRO CN(C)c1ccc(C2=CCC[NH2+]C2)c2ccccc21 ZINC001240664967 821226938 /nfs/dbraw/zinc/22/69/38/821226938.db2.gz NLIMCLRHRCTJDE-UHFFFAOYSA-N 1 0 252.361 3.283 20 10 CGCDRO Cn1cc(C(C)(C)[NH2+]Cc2ccc(N3CCCC3)cc2)cn1 ZINC001339508543 936375473 /nfs/dbraw/zinc/37/54/73/936375473.db2.gz HWCFFMLGWQFHCQ-UHFFFAOYSA-N 1 0 298.434 3.045 20 10 CGCDRO CCC[N@H+](Cc1ccccc1O)Cc1cccnc1N(C)C ZINC001343222503 936491315 /nfs/dbraw/zinc/49/13/15/936491315.db2.gz KEQRDEVEFLIWRO-UHFFFAOYSA-N 1 0 299.418 3.265 20 10 CGCDRO COc1cc(C)cc(C[NH2+]Cc2ccc3c(c2)CCC3)c1O ZINC001353583191 937070369 /nfs/dbraw/zinc/07/03/69/937070369.db2.gz FALZZOOHENIWPZ-UHFFFAOYSA-N 1 0 297.398 3.488 20 10 CGCDRO COc1ccc(C[NH2+]C2(C3CC3)CCOCC2)cc1C ZINC001342658861 927019947 /nfs/dbraw/zinc/01/99/47/927019947.db2.gz ZLIGARPMDKCMNW-UHFFFAOYSA-N 1 0 275.392 3.052 20 10 CGCDRO C[C@@H](c1cccc(O)c1)[N@H+](C)Cc1ccc(N)cc1 ZINC001356083739 927267147 /nfs/dbraw/zinc/26/71/47/927267147.db2.gz ZOCFERIOBCSISK-LBPRGKRZSA-N 1 0 256.349 3.167 20 10 CGCDRO CC1(C)C[C@H]([NH2+]Cc2cc(Cl)ccc2O)CCO1 ZINC000160481431 927440308 /nfs/dbraw/zinc/44/03/08/927440308.db2.gz BQJVYGAJAAIVEV-GFCCVEGCSA-N 1 0 269.772 3.093 20 10 CGCDRO C[C@H]1C[NH+](Cc2ccc(N3CCCC3)cc2)C[C@@H]1C ZINC001319822351 928482647 /nfs/dbraw/zinc/48/26/47/928482647.db2.gz CWXCOQARUXREIT-GJZGRUSLSA-N 1 0 258.409 3.375 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CC2(C)CCC2)cc1F ZINC001461121422 937564898 /nfs/dbraw/zinc/56/48/98/937564898.db2.gz SECHBTPATVJBQZ-UHFFFAOYSA-N 1 0 250.361 3.172 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cnn(C(C)C)c1 ZINC001461196969 937568652 /nfs/dbraw/zinc/56/86/52/937568652.db2.gz QOEGZPVIKNGVDF-UHFFFAOYSA-N 1 0 286.423 3.128 20 10 CGCDRO Cc1c2ccccc2n(C)c1C[NH2+]CCC1(CO)CCC1 ZINC001461612161 937588283 /nfs/dbraw/zinc/58/82/83/937588283.db2.gz CVWQUHIZLGFPHD-UHFFFAOYSA-N 1 0 286.419 3.129 20 10 CGCDRO CC[C@]1(CO)CCC[N@@H+]1Cc1cc(C(C)C)ccc1O ZINC001462119702 937618651 /nfs/dbraw/zinc/61/86/51/937618651.db2.gz WSBIDKQGHZGCMV-QGZVFWFLSA-N 1 0 277.408 3.253 20 10 CGCDRO CCCc1ncc(C[NH2+]Cc2ccc(Cl)cc2O)o1 ZINC001462235068 937626694 /nfs/dbraw/zinc/62/66/94/937626694.db2.gz NJUYANXHJDKEBO-UHFFFAOYSA-N 1 0 280.755 3.276 20 10 CGCDRO CC[C@H](C[NH2+]Cc1cc(C(C)C)ccc1O)OC ZINC001462299187 937630547 /nfs/dbraw/zinc/63/05/47/937630547.db2.gz LWYQQNIACRQFJR-CQSZACIVSA-N 1 0 251.370 3.030 20 10 CGCDRO Oc1cc(Cl)ccc1C[NH2+][C@H]1CCC[C@@H](F)C1 ZINC001462362691 937635730 /nfs/dbraw/zinc/63/57/30/937635730.db2.gz CFYDJBDIPWDPGW-NEPJUHHUSA-N 1 0 257.736 3.416 20 10 CGCDRO CC[C@H]1COC(C)(C)C[N@@H+]1Cc1ccc(N(C)C)cc1C ZINC001462415048 937639513 /nfs/dbraw/zinc/63/95/13/937639513.db2.gz NVJPGJCURBLYFK-INIZCTEOSA-N 1 0 290.451 3.450 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+][C@H](C)[C@H]2CCCOC2)c1 ZINC001308634388 933147082 /nfs/dbraw/zinc/14/70/82/933147082.db2.gz FPISCDPZLBFCPH-HIFRSBDPSA-N 1 0 277.408 3.420 20 10 CGCDRO CC(C)C1(CN(C)c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC001308670596 933153750 /nfs/dbraw/zinc/15/37/50/933153750.db2.gz QWLWJJCNWRKCMP-UHFFFAOYSA-N 1 0 290.451 3.499 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+][C@H]2CCOC[C@@H]2C)c1 ZINC001308683155 933157527 /nfs/dbraw/zinc/15/75/27/933157527.db2.gz AORSJXTVAHOKRO-WFASDCNBSA-N 1 0 263.381 3.030 20 10 CGCDRO C[C@H]1CCSCC[N@@H+]1Cc1ccc(Cl)cc1O ZINC001308689650 933158854 /nfs/dbraw/zinc/15/88/54/933158854.db2.gz VRIAZCYYKYRFAJ-JTQLQIEISA-N 1 0 271.813 3.373 20 10 CGCDRO CCC[C@@H](C)[C@@H](CO)[NH2+]Cc1cc(C(C)C)ccc1O ZINC001308848462 933189368 /nfs/dbraw/zinc/18/93/68/933189368.db2.gz SEWCCTHGCFEZLT-CZUORRHYSA-N 1 0 279.424 3.402 20 10 CGCDRO COc1cc(C)cc(C[NH2+]C[C@@H]2CCC[C@H]3C[C@H]32)c1O ZINC001308864643 933192805 /nfs/dbraw/zinc/19/28/05/933192805.db2.gz NFQFYFYJYHOLQM-KCQAQPDRSA-N 1 0 275.392 3.235 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC001319681862 933912878 /nfs/dbraw/zinc/91/28/78/933912878.db2.gz LBFFJWUMDQQEDM-KBPBESRZSA-N 1 0 275.392 3.413 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CC[C@@H](OC)C1)c1ccc(C)cc1O ZINC001321075283 934146967 /nfs/dbraw/zinc/14/69/67/934146967.db2.gz UTVYSJGBDINPDS-GUTXKFCHSA-N 1 0 263.381 3.309 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]C1CC2(CC2(F)F)C1 ZINC001327794061 935084896 /nfs/dbraw/zinc/08/48/96/935084896.db2.gz WMPKTLQIWNJABZ-UHFFFAOYSA-N 1 0 273.710 3.323 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H]2C[C@@H](OC(C)C)C2)cc1Cl ZINC001327824394 935086896 /nfs/dbraw/zinc/08/68/96/935086896.db2.gz OCLFJKPDYKRUBL-BETUJISGSA-N 1 0 283.799 3.400 20 10 CGCDRO CC(C)([NH2+]Cc1ccc(N)cc1)c1ccc(F)cc1 ZINC001334774204 936112956 /nfs/dbraw/zinc/11/29/56/936112956.db2.gz GOPFSNHZPQQUGO-UHFFFAOYSA-N 1 0 258.340 3.433 20 10 CGCDRO C[C@H]1[N@H+](Cc2ccc(N3CCCC3)cc2)CCOC1(C)C ZINC001337041743 936234021 /nfs/dbraw/zinc/23/40/21/936234021.db2.gz BMPPOYPCFOWCTP-OAHLLOKOSA-N 1 0 288.435 3.286 20 10 CGCDRO CCc1cc(C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3C)[nH]n1 ZINC001337786342 936288814 /nfs/dbraw/zinc/28/88/14/936288814.db2.gz WNKMGQRTIWZFLK-BXUZGUMPSA-N 1 0 285.391 3.324 20 10 CGCDRO c1cc(CCC[NH2+]Cc2ccc3c(c2)CCO3)cs1 ZINC001474301688 937850027 /nfs/dbraw/zinc/85/00/27/937850027.db2.gz OEDIVSZGYWVBKV-UHFFFAOYSA-N 1 0 273.401 3.405 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CCC[C@H]2CSC)c(O)c1 ZINC001474310560 937850476 /nfs/dbraw/zinc/85/04/76/937850476.db2.gz MLIWJUVOOCQKDM-LBPRGKRZSA-N 1 0 281.421 3.037 20 10 CGCDRO Cc1ccc(C[N@@H+](CCO)[C@@H](C)c2ccccc2)c(O)c1 ZINC001474335998 937852524 /nfs/dbraw/zinc/85/25/24/937852524.db2.gz OCWIVFPEBWXHDP-HNNXBMFYSA-N 1 0 285.387 3.256 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CCCC3(CC3)C2)c(O)c1 ZINC001474465103 937861690 /nfs/dbraw/zinc/86/16/90/937861690.db2.gz KBBAODCHVFYQBI-UHFFFAOYSA-N 1 0 261.365 3.085 20 10 CGCDRO CCCC[N@H+](CCCC(=O)OCC)Cc1ccccc1O ZINC001559790009 938235840 /nfs/dbraw/zinc/23/58/40/938235840.db2.gz FONRSALHHGGCRW-UHFFFAOYSA-N 1 0 293.407 3.338 20 10 CGCDRO C[C@H]([NH2+]CCN1C[C@@H](C)C[C@H](C)C1)c1ccccc1O ZINC001560074855 938243101 /nfs/dbraw/zinc/24/31/01/938243101.db2.gz ITEMGFHTJRGIDZ-KKUMJFAQSA-N 1 0 276.424 3.021 20 10 CGCDRO CCOc1ccc(C[N@H+](C)Cc2ccc(N(C)C)cc2)o1 ZINC001560627206 938267106 /nfs/dbraw/zinc/26/71/06/938267106.db2.gz SKVFWVCSDYBLNH-UHFFFAOYSA-N 1 0 288.391 3.376 20 10 CGCDRO Cc1ccc(C[N@@H+](C)CCN(C)c2ccccc2)c(O)c1 ZINC001560696484 938270735 /nfs/dbraw/zinc/27/07/35/938270735.db2.gz RBESLPOZJLZAHE-UHFFFAOYSA-N 1 0 284.403 3.269 20 10 CGCDRO COc1ccc(C[NH2+]C/C=C\c2ccccc2)c(O)c1OC ZINC001560708981 938271747 /nfs/dbraw/zinc/27/17/47/938271747.db2.gz WZLVZSSENZPEQG-TWGQIWQCSA-N 1 0 299.370 3.212 20 10 CGCDRO CC(C)(C)[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2O)C[C@H]1O ZINC001560720160 938272293 /nfs/dbraw/zinc/27/22/93/938272293.db2.gz LLXHEMNKFJLHHC-UKRRQHHQSA-N 1 0 297.826 3.275 20 10 CGCDRO CC[C@@]1(C)C[N@H+](C/C=C\c2ccc(N(C)C)cc2)CCO1 ZINC001560761179 938274188 /nfs/dbraw/zinc/27/41/88/938274188.db2.gz BJFBHGFWXQORJW-MJRGOJFPSA-N 1 0 288.435 3.267 20 10 CGCDRO CCOC1CC([N@H+](C)C/C=C/c2ccc(N(C)C)cc2)C1 ZINC001560861867 938280206 /nfs/dbraw/zinc/28/02/06/938280206.db2.gz ZCXLPKMUWDXDKC-VOTSOKGWSA-N 1 0 288.435 3.265 20 10 CGCDRO Nc1c(F)cccc1C[NH2+]Cc1cc(Cl)ccc1O ZINC001560913095 938283652 /nfs/dbraw/zinc/28/36/52/938283652.db2.gz HZDCZHKISGXSQE-UHFFFAOYSA-N 1 0 280.730 3.057 20 10 CGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CCN(C)C(C)(C)CC2)c1 ZINC001560953131 938286000 /nfs/dbraw/zinc/28/60/00/938286000.db2.gz FLAZCZKWBWLDEO-UHFFFAOYSA-N 1 0 290.451 3.432 20 10 CGCDRO COc1cc(C)cc(C[NH2+]C[C@]2(C)CC2(C)C)c1O ZINC001560989317 938288363 /nfs/dbraw/zinc/28/83/63/938288363.db2.gz ZDHOCMGJYHISGG-INIZCTEOSA-N 1 0 263.381 3.235 20 10 CGCDRO COc1cc(C)cc(C[NH2+]C[C@@H]2C[C@@H]2[C@H]2C[C@@H]2C)c1O ZINC001561008139 938289232 /nfs/dbraw/zinc/28/92/32/938289232.db2.gz QNQRIVVKGBPOIU-JURCDPSOSA-N 1 0 275.392 3.091 20 10 CGCDRO CCCOc1ccc(CN[C@@]23CCC[C@H]2[NH2+]CC3)cc1C ZINC001577586592 962555943 /nfs/dbraw/zinc/55/59/43/962555943.db2.gz YYDBYZQRZUJYEC-QZTJIDSGSA-N 1 0 288.435 3.158 20 10 CGCDRO COCc1ccc(CN2CCCc3cc(C[NH3+])ccc32)cc1 ZINC001579091663 962609180 /nfs/dbraw/zinc/60/91/80/962609180.db2.gz ZEJKMTFWNMGCSU-UHFFFAOYSA-N 1 0 296.414 3.245 20 10 CGCDRO c1ccc(C2([NH2+]Cc3ccc4c(c3)CCO4)CC2)cc1 ZINC000068979907 345368760 /nfs/dbraw/zinc/36/87/60/345368760.db2.gz QIRZVEXGKQEFSP-UHFFFAOYSA-N 1 0 265.356 3.400 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)[C@@H](CCO)c2ccccc2)cc1 ZINC000093442281 345878714 /nfs/dbraw/zinc/87/87/14/345878714.db2.gz YSNLNVGHSMLGPA-IBGZPJMESA-N 1 0 298.430 3.308 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCN(C(C)C)C(C)C)c1 ZINC000019901087 368777168 /nfs/dbraw/zinc/77/71/68/368777168.db2.gz LMXZKNVRLHLVNF-CQSZACIVSA-N 1 0 294.439 3.170 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H](C)[C@@H](C)CC)c1O ZINC000042552001 369224339 /nfs/dbraw/zinc/22/43/39/369224339.db2.gz OZHCXUDXHUVSPY-RYUDHWBXSA-N 1 0 251.370 3.315 20 10 CGCDRO Cc1cc(C[C@@H](C)[NH2+][C@H](C)c2ccc(N(C)C)cc2)[nH]n1 ZINC000090531843 370062271 /nfs/dbraw/zinc/06/22/71/370062271.db2.gz WEYULYPSJRMYDL-TZMCWYRMSA-N 1 0 286.423 3.066 20 10 CGCDRO CCC[N@H+](Cc1ccn(C)c1)Cc1ccccc1O ZINC000092704989 370100105 /nfs/dbraw/zinc/10/01/05/370100105.db2.gz UESREIFFQDPZBN-UHFFFAOYSA-N 1 0 258.365 3.143 20 10 CGCDRO C[C@@H]([NH2+]C[C@]1(C)CCCS1)c1cc(F)ccc1O ZINC000134052878 371300414 /nfs/dbraw/zinc/30/04/14/371300414.db2.gz XSAJUOMSVAXDRE-YGRLFVJLSA-N 1 0 269.385 3.468 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1CCCSC1)c1cc(F)ccc1O ZINC000286896011 371569450 /nfs/dbraw/zinc/56/94/50/371569450.db2.gz DHPVMYNJUSQUEP-WDEREUQCSA-N 1 0 269.385 3.325 20 10 CGCDRO COCC1(CC[NH2+][C@H](C)c2cc(OC)ccc2O)CCC1 ZINC000293709858 372457152 /nfs/dbraw/zinc/45/71/52/372457152.db2.gz MRNOPYFKEDAALK-CYBMUJFWSA-N 1 0 293.407 3.258 20 10 CGCDRO COc1ccncc1C[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000293990212 372547738 /nfs/dbraw/zinc/54/77/38/372547738.db2.gz BYWDYRZVLDHQLR-CYBMUJFWSA-N 1 0 286.375 3.263 20 10 CGCDRO CCCCOCCC[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000168733469 372617552 /nfs/dbraw/zinc/61/75/52/372617552.db2.gz JZJPUMVNTGZYBQ-LBPRGKRZSA-N 1 0 269.360 3.389 20 10 CGCDRO CCc1nnc(C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)s1 ZINC000294529515 372658450 /nfs/dbraw/zinc/65/84/50/372658450.db2.gz ZTVLJEHUTXRNIC-NSHDSACASA-N 1 0 291.420 3.274 20 10 CGCDRO C[C@H]([NH2+][C@H](CO)c1ccccc1)c1cc(Cl)ccc1O ZINC000169520494 372629741 /nfs/dbraw/zinc/62/97/41/372629741.db2.gz AOCYTOVTKNCQLT-XHDPSFHLSA-N 1 0 291.778 3.430 20 10 CGCDRO CC[C@@]1(CO)CCC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000294719205 372668254 /nfs/dbraw/zinc/66/82/54/372668254.db2.gz VNFWZUPEJBSGDT-GOSISDBHSA-N 1 0 290.451 3.046 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)c1ccc(C)c(C)c1O)C(C)(C)O ZINC000294857913 372673791 /nfs/dbraw/zinc/67/37/91/372673791.db2.gz BTZSPINPSXLJNI-OCCSQVGLSA-N 1 0 265.397 3.209 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](C)CCCCO)c1ccc(C)cc1O ZINC000296373700 373109222 /nfs/dbraw/zinc/10/92/22/373109222.db2.gz JIKNDNNFXNBAHR-DZGCQCFKSA-N 1 0 265.397 3.292 20 10 CGCDRO CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(F)cc1[O-] ZINC000296601033 373190911 /nfs/dbraw/zinc/19/09/11/373190911.db2.gz VPVZVLBBORICGS-HUORLRHWSA-N 1 0 292.398 3.197 20 10 CGCDRO Cc1cccc(C[N@H+]2CCC[C@@H]2c2cccn2C)c1O ZINC000179598398 373893212 /nfs/dbraw/zinc/89/32/12/373893212.db2.gz MEODAQLCLSVLLP-MRXNPFEDSA-N 1 0 270.376 3.376 20 10 CGCDRO CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000180486719 374014505 /nfs/dbraw/zinc/01/45/05/374014505.db2.gz WMVDWTAZAHPVQT-CYBMUJFWSA-N 1 0 296.842 3.209 20 10 CGCDRO CC[C@@](C)([NH2+]Cc1cc(OC)ccc1O)c1nccs1 ZINC000182371731 374266199 /nfs/dbraw/zinc/26/61/99/374266199.db2.gz MQHNDAHPEZEWCU-OAHLLOKOSA-N 1 0 292.404 3.272 20 10 CGCDRO COC[C@H]([NH2+][C@@H](C)c1ccccc1O)c1ccccc1 ZINC000183604590 374432750 /nfs/dbraw/zinc/43/27/50/374432750.db2.gz VROWJNIDCSLAID-BBRMVZONSA-N 1 0 271.360 3.431 20 10 CGCDRO C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)c1ccccc1O ZINC000183493412 374420561 /nfs/dbraw/zinc/42/05/61/374420561.db2.gz CPNQMHQUEQYZQF-OLZOCXBDSA-N 1 0 271.360 3.380 20 10 CGCDRO C[C@H]([NH2+]CCOc1ccc(F)c(F)c1)c1ccccc1O ZINC000183597887 374432652 /nfs/dbraw/zinc/43/26/52/374432652.db2.gz JJPRGEDTZMGBFQ-NSHDSACASA-N 1 0 293.313 3.400 20 10 CGCDRO CCOc1ccc(O)c(C[N@H+](C)[C@H](C)c2ccccn2)c1 ZINC000183677274 374440343 /nfs/dbraw/zinc/44/03/43/374440343.db2.gz SRNNAIKCFWHLCO-CYBMUJFWSA-N 1 0 286.375 3.379 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H](O)c1ccccc1)c1cc(Cl)ccc1O ZINC000184855018 374564256 /nfs/dbraw/zinc/56/42/56/374564256.db2.gz OPOGNFCHJOVNBU-BDJLRTHQSA-N 1 0 291.778 3.430 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCc2ccccc2O)c(O)c1 ZINC000185303163 374632949 /nfs/dbraw/zinc/63/29/49/374632949.db2.gz GVZHOOZFTXOOHP-CYBMUJFWSA-N 1 0 271.360 3.300 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)CCS1 ZINC000190699034 375532688 /nfs/dbraw/zinc/53/26/88/375532688.db2.gz XBZHHUYZXRQKNV-CYBMUJFWSA-N 1 0 264.438 3.080 20 10 CGCDRO C[C@@H]([NH2+]CCCCCO)c1ccc(N2CCCCC2)cc1 ZINC000192933141 375804745 /nfs/dbraw/zinc/80/47/45/375804745.db2.gz XVKLSKYAVVTNEB-MRXNPFEDSA-N 1 0 290.451 3.490 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)nc1)c1ccc(N(C)C)cc1 ZINC000268777571 378107810 /nfs/dbraw/zinc/10/78/10/378107810.db2.gz RXPYCJVPRRIBMQ-AWEZNQCLSA-N 1 0 298.434 3.064 20 10 CGCDRO C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC000269795159 378267227 /nfs/dbraw/zinc/26/72/27/378267227.db2.gz BFMBOQOFVDHSKY-DZGCQCFKSA-N 1 0 285.387 3.281 20 10 CGCDRO C[C@@]1([NH2+]Cc2cc(-c3ccccc3)ccc2O)CCOC1 ZINC000270159266 378315986 /nfs/dbraw/zinc/31/59/86/378315986.db2.gz TYWIETUXJOEVRT-GOSISDBHSA-N 1 0 283.371 3.328 20 10 CGCDRO CC[C@@H]([NH2+]Cc1csc(COC)n1)c1ccccc1O ZINC000271663550 378501260 /nfs/dbraw/zinc/50/12/60/378501260.db2.gz DTQSENYMAFANRD-CYBMUJFWSA-N 1 0 292.404 3.236 20 10 CGCDRO COc1ccc(O)c(C[N@H+](Cc2ccco2)C(C)C)c1 ZINC000271797568 378504436 /nfs/dbraw/zinc/50/44/36/378504436.db2.gz KMYJGPXBHSKMBK-UHFFFAOYSA-N 1 0 275.348 3.404 20 10 CGCDRO C[C@H](c1cccnc1)[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000273379570 378743611 /nfs/dbraw/zinc/74/36/11/378743611.db2.gz HKJSGVVQOKNOAE-CYBMUJFWSA-N 1 0 287.382 3.480 20 10 CGCDRO COc1ncccc1C[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000273395017 378743959 /nfs/dbraw/zinc/74/39/59/378743959.db2.gz LTPIYMSHVYTKAD-ZDUSSCGKSA-N 1 0 286.375 3.263 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](CO)c2ccc(F)cc2)c1 ZINC000273452823 378748786 /nfs/dbraw/zinc/74/87/86/378748786.db2.gz GJIUOJATZQSXIL-WBMJQRKESA-N 1 0 289.350 3.224 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCCCCCO)c(O)c1C ZINC000273479953 378749761 /nfs/dbraw/zinc/74/97/61/378749761.db2.gz LTUIJTADZRQUPL-AWEZNQCLSA-N 1 0 265.397 3.212 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2nnc(C(C)C)[nH]2)c(O)c1 ZINC000273510339 378750440 /nfs/dbraw/zinc/75/04/40/378750440.db2.gz RQDRPAFSKFWCLY-NWDGAFQWSA-N 1 0 288.395 3.354 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCOCC2)c(O)c1C ZINC000273518046 378750707 /nfs/dbraw/zinc/75/07/07/378750707.db2.gz SYPIWYCGFDOSJZ-KGLIPLIRSA-N 1 0 263.381 3.229 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)c(O)c1C ZINC000273587026 378754619 /nfs/dbraw/zinc/75/46/19/378754619.db2.gz OBCHMOKZVNYNMD-LBRJOISOSA-N 1 0 289.419 3.473 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H](c1ccsc1)N(C)C)c1ccccc1O ZINC000272813471 378708124 /nfs/dbraw/zinc/70/81/24/378708124.db2.gz DPPGHSIIHSDYND-DOMZBBRYSA-N 1 0 290.432 3.407 20 10 CGCDRO CO[C@@H](C[NH2+][C@H](C)c1ccc(C)cc1O)C(C)C ZINC000273597434 378755566 /nfs/dbraw/zinc/75/55/66/378755566.db2.gz RAHXEPYBBQGJGR-DOMZBBRYSA-N 1 0 251.370 3.022 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]CCC[C@@H]1CCCCO1 ZINC000273831453 378760488 /nfs/dbraw/zinc/76/04/88/378760488.db2.gz PUYIMDBRZPBXDW-LBPRGKRZSA-N 1 0 283.799 3.485 20 10 CGCDRO C[C@@]1([NH2+]Cc2cc(Cl)ccc2O)CCO[C@@H]1C1CC1 ZINC000371746906 379174298 /nfs/dbraw/zinc/17/42/98/379174298.db2.gz MXWVQHCCBRTHGU-HUUCEWRRSA-N 1 0 281.783 3.093 20 10 CGCDRO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000373179471 379235578 /nfs/dbraw/zinc/23/55/78/379235578.db2.gz ZTJIIKWIPSTQAR-GOSISDBHSA-N 1 0 298.434 3.132 20 10 CGCDRO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1cc(C)ccc1O ZINC000373178278 379235710 /nfs/dbraw/zinc/23/57/10/379235710.db2.gz SVBVAZKSIJZRKS-INIZCTEOSA-N 1 0 285.391 3.080 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000375320202 379491022 /nfs/dbraw/zinc/49/10/22/379491022.db2.gz MUHUCIPWNLEIET-ZFWWWQNUSA-N 1 0 281.783 3.189 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH+]1CCC2(CCOCC2)CC1 ZINC000375317299 379491158 /nfs/dbraw/zinc/49/11/58/379491158.db2.gz GNGLWSXYSVDFOL-UHFFFAOYSA-N 1 0 295.810 3.438 20 10 CGCDRO CC(C)n1ncc2c1C[C@@H]([NH2+][C@H](C)c1ccccc1O)CC2 ZINC000375451027 379495894 /nfs/dbraw/zinc/49/58/94/379495894.db2.gz KHPFEHFOODDFGD-HIFRSBDPSA-N 1 0 299.418 3.378 20 10 CGCDRO COc1ccc(O)c(C[NH+]2CCC(c3ccccn3)CC2)c1 ZINC000376152914 379524412 /nfs/dbraw/zinc/52/44/12/379524412.db2.gz UQNPIRSVTPHAIX-UHFFFAOYSA-N 1 0 298.386 3.175 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]C[C@H]2CCC(F)(F)C2)c1 ZINC000281384344 379832447 /nfs/dbraw/zinc/83/24/47/379832447.db2.gz GRWPROHJFUZBKE-NSHDSACASA-N 1 0 255.308 3.226 20 10 CGCDRO CCCOc1ccc(C[NH2+]CC2(COC)CCC2)c(O)c1 ZINC000282085177 379851102 /nfs/dbraw/zinc/85/11/02/379851102.db2.gz RNRVQARVGDHQJV-UHFFFAOYSA-N 1 0 293.407 3.087 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCc3nn(C)cc32)c(O)c1 ZINC000282346697 379902881 /nfs/dbraw/zinc/90/28/81/379902881.db2.gz GVTXVBGNAUJVAK-WFASDCNBSA-N 1 0 285.391 3.162 20 10 CGCDRO C[C@H]([NH2+]CCC1(O)CCC1)c1cc(Cl)ccc1O ZINC000284269090 380136726 /nfs/dbraw/zinc/13/67/26/380136726.db2.gz GTWZGACSQTWLBE-JTQLQIEISA-N 1 0 269.772 3.001 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccnc(OC(F)F)c1)c1ccccc1O ZINC000284386910 380139483 /nfs/dbraw/zinc/13/94/83/380139483.db2.gz OXDGPJDANKFEHV-SNVBAGLBSA-N 1 0 294.301 3.239 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@H]2CCC[C@@H]2CCO)c(O)c1 ZINC000285407071 380148679 /nfs/dbraw/zinc/14/86/79/380148679.db2.gz XMAJSVIITJFQEA-ZNMIVQPWSA-N 1 0 277.408 3.211 20 10 CGCDRO CCC[C@]1([NH2+]Cc2cc(C)c(C)cc2O)CCOC1 ZINC000285617818 380151177 /nfs/dbraw/zinc/15/11/77/380151177.db2.gz WGRHHTGZXLZJBW-INIZCTEOSA-N 1 0 263.381 3.058 20 10 CGCDRO C[C@H]([NH2+]C[C@@]1(C)CCO[C@@H]1C1CC1)c1cc(F)ccc1O ZINC000364151706 382262917 /nfs/dbraw/zinc/26/29/17/382262917.db2.gz UWIZLNMWVAEMGE-YMRXKLBXSA-N 1 0 293.382 3.387 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]Cc1ccc3c(n1)CCCC3)CC2 ZINC000296320950 285396868 /nfs/dbraw/zinc/39/68/68/285396868.db2.gz FVSBAGTVQCHRJC-KRWDZBQOSA-N 1 0 294.398 3.443 20 10 CGCDRO CCOc1ccc(O)c(C[N@H+](CC)Cc2ccccn2)c1 ZINC000093338910 392236909 /nfs/dbraw/zinc/23/69/09/392236909.db2.gz GWDPNYAFAYGOJF-UHFFFAOYSA-N 1 0 286.375 3.208 20 10 CGCDRO Cc1cccc(C[NH2+]C[C@]2(C)CCCS2)c1O ZINC000124853600 392436304 /nfs/dbraw/zinc/43/63/04/392436304.db2.gz QHZCLCWSBBYRDG-AWEZNQCLSA-N 1 0 251.395 3.076 20 10 CGCDRO C[C@@H]([NH2+]Cc1cnn(C)c1)c1ccc(N2CCCCC2)cc1 ZINC000178512143 392680217 /nfs/dbraw/zinc/68/02/17/392680217.db2.gz HAMCYKLHJQYQDG-OAHLLOKOSA-N 1 0 298.434 3.261 20 10 CGCDRO CSC1(C[NH2+][C@@H](C)c2ccc(C)cc2O)CC1 ZINC000193821977 392886507 /nfs/dbraw/zinc/88/65/07/392886507.db2.gz SWFBRLZHUWBEQC-NSHDSACASA-N 1 0 251.395 3.247 20 10 CGCDRO CSC1(C[NH2+][C@H](C)c2ccc(C)cc2O)CC1 ZINC000193821961 392886691 /nfs/dbraw/zinc/88/66/91/392886691.db2.gz SWFBRLZHUWBEQC-LLVKDONJSA-N 1 0 251.395 3.247 20 10 CGCDRO C[C@@H]([NH2+]CCCCO)c1ccc(N2CCCCC2)c(F)c1 ZINC000194211254 392907730 /nfs/dbraw/zinc/90/77/30/392907730.db2.gz WFLQWENCQIALIH-CQSZACIVSA-N 1 0 294.414 3.239 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000361067077 393663243 /nfs/dbraw/zinc/66/32/43/393663243.db2.gz MHMHURRSOYTOQZ-INIZCTEOSA-N 1 0 269.344 3.046 20 10 CGCDRO Cc1csc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000038091030 174104611 /nfs/dbraw/zinc/10/46/11/174104611.db2.gz UNXRBPXMQGKLJG-GFCCVEGCSA-N 1 0 275.421 3.368 20 10 CGCDRO C[C@H]([NH2+]C1CCN(C2CC2)CC1)c1ccc(N(C)C)cc1 ZINC000037318590 260086570 /nfs/dbraw/zinc/08/65/70/260086570.db2.gz CDRFFTKTZMGEKD-AWEZNQCLSA-N 1 0 287.451 3.030 20 10 CGCDRO COc1ccccc1[C@@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000037362734 260094933 /nfs/dbraw/zinc/09/49/33/260094933.db2.gz COCLVDQTLGTFQC-CYBMUJFWSA-N 1 0 283.371 3.481 20 10 CGCDRO C[C@H]([NH2+][C@@H]1C[C@H](O)C1(C)C)c1ccc2ccccc2c1O ZINC000128093384 260371674 /nfs/dbraw/zinc/37/16/74/260371674.db2.gz YFNIJCNUTGHFQK-XZJROXQQSA-N 1 0 285.387 3.355 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccccc2O)cc1 ZINC000155197551 261099575 /nfs/dbraw/zinc/09/95/75/261099575.db2.gz RKPPRSCNPLLEQR-UHFFFAOYSA-N 1 0 270.376 3.090 20 10 CGCDRO CC[C@H]([NH2+]C[C@@](C)(O)c1cccs1)c1ccccc1O ZINC000155958505 261110757 /nfs/dbraw/zinc/11/07/57/261110757.db2.gz KLIXLXIYKRXFBA-XJKSGUPXSA-N 1 0 291.416 3.402 20 10 CGCDRO CC[C@H]([NH2+]CCC(=O)OC(C)(C)C)c1ccccc1O ZINC000156001074 261111708 /nfs/dbraw/zinc/11/17/08/261111708.db2.gz CAXALEZCHKBJAY-ZDUSSCGKSA-N 1 0 279.380 3.165 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCO[C@H](C2CC2)C1)c1cc(F)ccc1O ZINC000157745400 261151727 /nfs/dbraw/zinc/15/17/27/261151727.db2.gz RLHBVWFKHSDTMO-WNMQOVRZSA-N 1 0 279.355 3.140 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCO[C@H](C3CC3)C2)c1 ZINC000157885279 261155047 /nfs/dbraw/zinc/15/50/47/261155047.db2.gz FBAHDMRHLPWYOY-ZUCKAHLUSA-N 1 0 291.391 3.009 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]2C2CCC2)cc1OC ZINC000160126639 261206280 /nfs/dbraw/zinc/20/62/80/261206280.db2.gz RVRHWUAJNUNGGT-CQSZACIVSA-N 1 0 291.391 3.174 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2c3ccccc3C[C@@H]2O)c(O)c1 ZINC000185122441 262042504 /nfs/dbraw/zinc/04/25/04/262042504.db2.gz XFNGLDYPSRORKO-OCBCSQNSSA-N 1 0 283.371 3.010 20 10 CGCDRO Cc1cccc([C@H](O)C[NH2+][C@@H](C)c2cc(C)ccc2O)c1 ZINC000186124400 262081081 /nfs/dbraw/zinc/08/10/81/262081081.db2.gz JWXVHINQZXTNAY-KBXCAEBGSA-N 1 0 285.387 3.393 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CCc3ccccc32)c(O)c1 ZINC000186165896 262082364 /nfs/dbraw/zinc/08/23/64/262082364.db2.gz PIANXGWHCWFHQY-KUHUBIRLSA-N 1 0 297.398 3.185 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCCOCC1)c1cc(Cl)ccc1O ZINC000186234056 262085591 /nfs/dbraw/zinc/08/55/91/262085591.db2.gz SKQWSTGLEDYTKL-ZYHUDNBSSA-N 1 0 269.772 3.265 20 10 CGCDRO C/C=C/C[C@H](CO)[NH2+][C@H](CC)c1ccc(N(C)C)cc1 ZINC000186501482 262095586 /nfs/dbraw/zinc/09/55/86/262095586.db2.gz KACPESZYRYIFKT-NDOICKTLSA-N 1 0 276.424 3.120 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2O)cc1 ZINC000186796803 262110683 /nfs/dbraw/zinc/11/06/83/262110683.db2.gz RLPYRHXEGDZJNN-KBRIMQKVSA-N 1 0 276.424 3.097 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCSC(F)(F)F)c1 ZINC000185086396 262300762 /nfs/dbraw/zinc/30/07/62/262300762.db2.gz ZNTXSJLXBHCNRE-MRVPVSSYSA-N 1 0 295.326 3.304 20 10 CGCDRO Oc1cc2c(cc1C[NH+](C1CCC1)C1CCC1)OCO2 ZINC000292712372 263134014 /nfs/dbraw/zinc/13/40/14/263134014.db2.gz DJJPRBUZRSEKPV-UHFFFAOYSA-N 1 0 275.348 3.028 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]CC2(c3ccccn3)CCC2)c1 ZINC000367584843 267102288 /nfs/dbraw/zinc/10/22/88/267102288.db2.gz LCWBMSNNGVAWRE-UHFFFAOYSA-N 1 0 282.387 3.307 20 10 CGCDRO CO[C@@]1(C)CCC[N@H+](Cc2cc(Cl)ccc2O)CC1 ZINC000369532983 267249502 /nfs/dbraw/zinc/24/95/02/267249502.db2.gz QVSCVPLNLTYFFM-HNNXBMFYSA-N 1 0 283.799 3.437 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCc3c[nH]nc3C2)cc1 ZINC000370663795 267336092 /nfs/dbraw/zinc/33/60/92/267336092.db2.gz YMSOFUDXGSLAIW-CZUORRHYSA-N 1 0 298.434 3.074 20 10 CGCDRO C[C@@H]([NH2+]C1CC(F)(F)C1)c1ccc(N(C)C)cc1 ZINC000277172225 274243364 /nfs/dbraw/zinc/24/33/64/274243364.db2.gz SAJVKEQCIUNRMV-SNVBAGLBSA-N 1 0 254.324 3.201 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccccc1N(C)C)c1cc(F)ccc1O ZINC000273526998 278358832 /nfs/dbraw/zinc/35/88/32/278358832.db2.gz VMDIBXQKPUHGTD-GFCCVEGCSA-N 1 0 288.366 3.448 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCOC[C@@H]1C)c1ccc(C)cc1O ZINC000280161281 280976075 /nfs/dbraw/zinc/97/60/75/280976075.db2.gz QRYODXJRLWCUGR-QEJZJMRPSA-N 1 0 263.381 3.166 20 10 CGCDRO C[C@H]([NH2+][C@H](CCO)c1ccccc1)c1cc(F)ccc1O ZINC000273612130 290035562 /nfs/dbraw/zinc/03/55/62/290035562.db2.gz WIRGPACHLHKVJP-BLLLJJGKSA-N 1 0 289.350 3.306 20 10 CGCDRO C[C@H]([NH2+]C1CCSCC1)c1ccc(N(C)C)cc1 ZINC000163262127 327708824 /nfs/dbraw/zinc/70/88/24/327708824.db2.gz TXFQUAOALMMHPF-LBPRGKRZSA-N 1 0 264.438 3.299 20 10 CGCDRO CC[C@@H](O)CC[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000185801891 327845637 /nfs/dbraw/zinc/84/56/37/327845637.db2.gz BMIPPLDKOHXNTR-SWLSCSKDSA-N 1 0 277.408 3.083 20 10 CGCDRO CC(C)[C@H](O)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000268966211 328187520 /nfs/dbraw/zinc/18/75/20/328187520.db2.gz YUVHBCVFNAQRNR-MAUKXSAKSA-N 1 0 290.451 3.344 20 10 CGCDRO CC[C@H]([NH2+]CCc1ccncc1)c1ccc(N(C)C)cc1 ZINC000269019473 328188670 /nfs/dbraw/zinc/18/86/70/328188670.db2.gz PJZZIWFVXIWULN-SFHVURJKSA-N 1 0 283.419 3.431 20 10 CGCDRO COCCc1ccnc(N[C@@H](C)c2ccccc2O)c1 ZINC000287327740 328250886 /nfs/dbraw/zinc/25/08/86/328250886.db2.gz FUOUODFPZMYGHR-LBPRGKRZSA-N 1 0 272.348 3.149 20 10 CGCDRO CCc1ccccc1C[NH2+]Cc1cccc(OC)c1O ZINC000077901736 326923717 /nfs/dbraw/zinc/92/37/17/326923717.db2.gz OCWYQWZYCFTLOQ-UHFFFAOYSA-N 1 0 271.360 3.253 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c1 ZINC000377835313 329031074 /nfs/dbraw/zinc/03/10/74/329031074.db2.gz SKFGOSHKAYMXNQ-HOTGVXAUSA-N 1 0 289.419 3.339 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2CCC[C@H](c3ccnn3C)C2)cc1C ZINC000378338532 329046568 /nfs/dbraw/zinc/04/65/68/329046568.db2.gz YQHYNGBBHXWQMH-HNNXBMFYSA-N 1 0 299.418 3.122 20 10 CGCDRO COc1cccc2c1OC[C@@H]([NH2+][C@@H](C)c1ccccc1O)C2 ZINC000183488534 329247911 /nfs/dbraw/zinc/24/79/11/329247911.db2.gz MQROFSHDLDPVOA-JSGCOSHPSA-N 1 0 299.370 3.055 20 10 CGCDRO CS[C@@H]1CCC[C@@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000226608961 329262127 /nfs/dbraw/zinc/26/21/27/329262127.db2.gz MPFVKXQFCKPBMF-CHWSQXEVSA-N 1 0 269.385 3.295 20 10 CGCDRO CCOc1ccc(C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)c(O)c1 ZINC000527738042 330279072 /nfs/dbraw/zinc/27/90/72/330279072.db2.gz GRDXPIPCQFPSOQ-VNHYZAJKSA-N 1 0 275.392 3.317 20 10 CGCDRO Cc1cc(O)c(C[NH2+]Cc2cccnc2C)c(Cl)c1 ZINC000527793671 330283701 /nfs/dbraw/zinc/28/37/01/330283701.db2.gz LYOKQHXOFUIRCK-UHFFFAOYSA-N 1 0 276.767 3.347 20 10 CGCDRO COCCC1CC[NH+]([C@@H](C)c2ccccc2O)CC1 ZINC000527938036 330293764 /nfs/dbraw/zinc/29/37/64/330293764.db2.gz XWADPUWMRIDGOO-ZDUSSCGKSA-N 1 0 263.381 3.202 20 10 CGCDRO CC(C)O[C@@]1(C)C[C@H]1[NH2+][C@H](C)c1cc(F)ccc1O ZINC000528004914 330300516 /nfs/dbraw/zinc/30/05/16/330300516.db2.gz HADLIOOSHYXWRM-KMUNFCNLSA-N 1 0 267.344 3.138 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)C2CCOCC2)cc1 ZINC000230223565 333315969 /nfs/dbraw/zinc/31/59/69/333315969.db2.gz AXJFONVAHQIUMH-HNNXBMFYSA-N 1 0 290.451 3.438 20 10 CGCDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1cccc(O)c1 ZINC000355121906 335767201 /nfs/dbraw/zinc/76/72/01/335767201.db2.gz LOGMNBPIJYASHX-UHFFFAOYSA-N 1 0 280.371 3.482 20 10 CGCDRO CCCN(Cc1cncs1)c1ccc(C[NH3+])cc1 ZINC000194978232 521692293 /nfs/dbraw/zinc/69/22/93/521692293.db2.gz HOANHWMBFIQIOE-UHFFFAOYSA-N 1 0 261.394 3.018 20 10 CGCDRO CCOCc1cc(C[NH2+]C(C)(C)COCC)ccc1OC ZINC000293034906 520186474 /nfs/dbraw/zinc/18/64/74/520186474.db2.gz RUKZNLUTFKSLJU-UHFFFAOYSA-N 1 0 295.423 3.136 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)c1 ZINC000127459401 521144585 /nfs/dbraw/zinc/14/45/85/521144585.db2.gz KHHFCTMCORUTLK-INIZCTEOSA-N 1 0 286.375 3.456 20 10 CGCDRO CC[N@H+](Cc1ccc(N(C)C)c(C)c1)Cc1ccccn1 ZINC000292904124 521314864 /nfs/dbraw/zinc/31/48/64/521314864.db2.gz WGRAEZWBSJUYAI-UHFFFAOYSA-N 1 0 283.419 3.478 20 10 CGCDRO CCOc1cccc(C[NH2+]C[C@H]2CC=CCC2)c1O ZINC000045628746 521365803 /nfs/dbraw/zinc/36/58/03/521365803.db2.gz IWYNRBKTUINBQI-ZDUSSCGKSA-N 1 0 261.365 3.237 20 10 CGCDRO CCOC1CC([N@H+](C)Cc2cc(Cl)cc(OC)c2O)C1 ZINC000290402298 521651156 /nfs/dbraw/zinc/65/11/56/521651156.db2.gz JNHNJUKAUPXEMJ-UHFFFAOYSA-N 1 0 299.798 3.054 20 10 CGCDRO CC[C@H](C)c1nnc([C@H](C)[NH2+][C@@H](C)c2ccccc2O)[nH]1 ZINC000277110057 522056128 /nfs/dbraw/zinc/05/61/28/522056128.db2.gz HVQIUUGSNREDMH-SRVKXCTJSA-N 1 0 288.395 3.436 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C[C@@H]2CCSC2)C2CC2)cc1 ZINC000278421677 522174176 /nfs/dbraw/zinc/17/41/76/522174176.db2.gz IPPIBUSGXBLZGS-HNNXBMFYSA-N 1 0 290.476 3.470 20 10 CGCDRO CC[C@H](C[NH2+][C@H](C)c1ccc(C)c(C)c1O)OC ZINC000290240109 522200927 /nfs/dbraw/zinc/20/09/27/522200927.db2.gz SMKRUACITVIJLZ-CHWSQXEVSA-N 1 0 251.370 3.085 20 10 CGCDRO CC[C@@H](C)c1nnc([C@@H](C)[NH2+]Cc2cccc(C)c2O)[nH]1 ZINC000277110102 522438384 /nfs/dbraw/zinc/43/83/84/522438384.db2.gz HWASDFZILDKPEZ-ZYHUDNBSSA-N 1 0 288.395 3.183 20 10 CGCDRO CC[C@H]([NH2+]CCc1ccc(O)cc1)c1ccccc1O ZINC000040735122 522599519 /nfs/dbraw/zinc/59/95/19/522599519.db2.gz YRBLRMNFGMXQDT-INIZCTEOSA-N 1 0 271.360 3.381 20 10 CGCDRO CC[C@H]([NH2+]Cc1ncccc1N(C)C)c1ccccc1O ZINC000289629986 522669983 /nfs/dbraw/zinc/66/99/83/522669983.db2.gz FBZSUMHWLOZDRU-AWEZNQCLSA-N 1 0 285.391 3.094 20 10 CGCDRO COC1CCC([N@H+](C)Cc2cc(C)c(C)cc2O)CC1 ZINC000265165748 522684849 /nfs/dbraw/zinc/68/48/49/522684849.db2.gz GBLWCURAXKPTDA-UHFFFAOYSA-N 1 0 277.408 3.398 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCC[C@@H]1CCO)c1ccc(C)cc1O ZINC000280289676 522754284 /nfs/dbraw/zinc/75/42/84/522754284.db2.gz ZBPXVESPKKULQT-KBMXLJTQSA-N 1 0 277.408 3.292 20 10 CGCDRO CO[C@@]1(C)CCC[N@H+](Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000280329139 523806645 /nfs/dbraw/zinc/80/66/45/523806645.db2.gz RAIAVGLLPGGZRN-KRWDZBQOSA-N 1 0 294.414 3.283 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2O)cn1 ZINC000094618153 524589847 /nfs/dbraw/zinc/58/98/47/524589847.db2.gz QDQJRFIACFLHLT-NSHDSACASA-N 1 0 260.312 3.086 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCC[C@H]2OC)c1 ZINC000273368702 524775220 /nfs/dbraw/zinc/77/52/20/524775220.db2.gz BWUORELRNWWERF-SGIREYDYSA-N 1 0 279.380 3.009 20 10 CGCDRO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000292850942 524816906 /nfs/dbraw/zinc/81/69/06/524816906.db2.gz UCNYEUFWOYUCEZ-KSSFIOAISA-N 1 0 297.398 3.404 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]C[C@H](c2cccs2)N(C)C)c1 ZINC000071406669 525350077 /nfs/dbraw/zinc/35/00/77/525350077.db2.gz XKVVJAUTINORNL-CQSZACIVSA-N 1 0 290.432 3.155 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCOC1(C)C)c1cc(Cl)ccc1O ZINC000296506484 525619104 /nfs/dbraw/zinc/61/91/04/525619104.db2.gz PIJMLPNTONUBEH-ZANVPECISA-N 1 0 269.772 3.264 20 10 CGCDRO COc1cccc(C[NH2+][C@H](C)c2ccccc2OC)c1O ZINC000020096795 526036615 /nfs/dbraw/zinc/03/66/15/526036615.db2.gz XSQKGRQUYXLKNH-GFCCVEGCSA-N 1 0 287.359 3.260 20 10 CGCDRO Cc1ncsc1CC[NH2+][C@H](C)c1ccc(C)cc1O ZINC000296583478 527490740 /nfs/dbraw/zinc/49/07/40/527490740.db2.gz ULOPJORTWNZVCA-LLVKDONJSA-N 1 0 276.405 3.359 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCOC[C@@H]2C)cc1 ZINC000191749654 528307293 /nfs/dbraw/zinc/30/72/93/528307293.db2.gz QUKLBOHEFSVJHT-WMLDXEAASA-N 1 0 276.424 3.047 20 10 CGCDRO Cc1cc(C[NH2+][C@@H](C)CCO)c(C)n1-c1cccc(C)c1 ZINC000738436267 571749024 /nfs/dbraw/zinc/74/90/24/571749024.db2.gz PCOXBPGLRFWWJE-AWEZNQCLSA-N 1 0 286.419 3.263 20 10 CGCDRO c1cc2cccc(C[NH2+]Cc3ccc4c(c3)CCO4)c2[nH]1 ZINC000727470433 571749272 /nfs/dbraw/zinc/74/92/72/571749272.db2.gz CUDSYYZPUYSXRR-UHFFFAOYSA-N 1 0 278.355 3.393 20 10 CGCDRO COc1ccc(C[NH2+]C[C@@](C)(O)c2cccs2)cc1C ZINC000740015884 571676491 /nfs/dbraw/zinc/67/64/91/571676491.db2.gz CDWVCUNQZGLNIK-MRXNPFEDSA-N 1 0 291.416 3.062 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccncc1 ZINC000742372233 572350904 /nfs/dbraw/zinc/35/09/04/572350904.db2.gz JUZVGNRBGUJYPN-QGZVFWFLSA-N 1 0 269.392 3.389 20 10 CGCDRO CCc1cccc(OCC[N@H+](C)Cc2ccccc2O)c1 ZINC000732203607 572451405 /nfs/dbraw/zinc/45/14/05/572451405.db2.gz YLDGWIRWNFSIHB-UHFFFAOYSA-N 1 0 285.387 3.465 20 10 CGCDRO COc1cccc(C[NH2+]C/C=C/c2ccccc2)c1O ZINC000732986744 572497575 /nfs/dbraw/zinc/49/75/75/572497575.db2.gz JEBCFUIPAXUUJU-RMKNXTFCSA-N 1 0 269.344 3.204 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]CCN2CCCc3ccccc32)c1 ZINC000733325684 572556308 /nfs/dbraw/zinc/55/63/08/572556308.db2.gz PYQZLWGOKKCEMJ-UHFFFAOYSA-N 1 0 296.414 3.243 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CC2CCSCC2)cc1F ZINC000733330048 572557653 /nfs/dbraw/zinc/55/76/53/572557653.db2.gz HMHKLHZDPQNGMD-UHFFFAOYSA-N 1 0 282.428 3.125 20 10 CGCDRO COCc1ccc(C[NH2+]Cc2ccc(N(C)C)cc2C)cc1 ZINC000742371113 572569720 /nfs/dbraw/zinc/56/97/20/572569720.db2.gz HVNFOIJSKDONHI-UHFFFAOYSA-N 1 0 298.430 3.497 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2C[C@@H](C)S[C@@H](C)C2)cc1C ZINC000743377567 572654957 /nfs/dbraw/zinc/65/49/57/572654957.db2.gz PUHCWTLRISEABR-BETUJISGSA-N 1 0 265.422 3.335 20 10 CGCDRO Oc1ccccc1C[N@H+](CCC1CC1)C[C@@H]1CCCO1 ZINC000744402684 572750048 /nfs/dbraw/zinc/75/00/48/572750048.db2.gz PSOZTZQVWXZQPC-INIZCTEOSA-N 1 0 275.392 3.173 20 10 CGCDRO CC(C)(C)OC(=O)CCC[NH2+]Cc1cc(Cl)ccc1O ZINC000744450134 572753970 /nfs/dbraw/zinc/75/39/70/572753970.db2.gz NBTDOCCWBWPFCT-UHFFFAOYSA-N 1 0 299.798 3.257 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H](C)Cc2ccncc2)cc1C ZINC000749295204 572991785 /nfs/dbraw/zinc/99/17/85/572991785.db2.gz LBHMGYDUDWITOZ-CQSZACIVSA-N 1 0 270.376 3.125 20 10 CGCDRO C[C@H](Cc1ccncc1)[NH2+]Cc1cc(Cl)ccc1O ZINC000749297144 572991808 /nfs/dbraw/zinc/99/18/08/572991808.db2.gz SXTNEFKPMFXXIH-LLVKDONJSA-N 1 0 276.767 3.161 20 10 CGCDRO CC(C)C[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000307770526 618078061 /nfs/dbraw/zinc/07/80/61/618078061.db2.gz FWKWUBRHKXYYKD-LBPRGKRZSA-N 1 0 251.345 3.399 20 10 CGCDRO CC[C@H]1CC[C@@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000806135886 617951251 /nfs/dbraw/zinc/95/12/51/617951251.db2.gz PDLKNUUFGFZKJZ-JSGCOSHPSA-N 1 0 250.361 3.170 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C2C[C@H](C)C[C@@H](C)C2)c1 ZINC000084972049 617957351 /nfs/dbraw/zinc/95/73/51/617957351.db2.gz PIJLBBMPLVOXIG-VXGBXAGGSA-N 1 0 263.381 3.315 20 10 CGCDRO CCOC[C@H]1CC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000160350104 618000948 /nfs/dbraw/zinc/00/09/48/618000948.db2.gz AXPBVGYPXKCTJR-AWEZNQCLSA-N 1 0 289.419 3.129 20 10 CGCDRO CCC[NH+]1CCC(NCc2c(O)cccc2Cl)CC1 ZINC000083551554 618009114 /nfs/dbraw/zinc/00/91/14/618009114.db2.gz QUMXXJTWKPBQNK-UHFFFAOYSA-N 1 0 282.815 3.010 20 10 CGCDRO COc1ccc(C[N@@H+]2CC[C@H]2c2ccccc2)c(O)c1OC ZINC000891402701 618187979 /nfs/dbraw/zinc/18/79/79/618187979.db2.gz VLCAETYVODYSFO-HNNXBMFYSA-N 1 0 299.370 3.356 20 10 CGCDRO COc1ccc(C[N@@H+]2C[C@H](C)CC[C@H]2C)c(O)c1OC ZINC000892066792 618514995 /nfs/dbraw/zinc/51/49/95/618514995.db2.gz HRDLBISOASKGJJ-VXGBXAGGSA-N 1 0 279.380 3.030 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)CN(CC)CC)c1ccccc1O ZINC000045690279 618622075 /nfs/dbraw/zinc/62/20/75/618622075.db2.gz PXQPMUDPHOGUCS-HIFRSBDPSA-N 1 0 264.413 3.163 20 10 CGCDRO CO[C@@](C)([C@H](C)[NH2+][C@H](C)c1ccccc1O)C1CC1 ZINC000840858439 618692424 /nfs/dbraw/zinc/69/24/24/618692424.db2.gz BZFKRAHZKBLADW-WQGACYEGSA-N 1 0 263.381 3.246 20 10 CGCDRO C[C@H]([NH2+]CCCOCC(F)(F)F)c1cc(F)ccc1O ZINC000184993150 625287901 /nfs/dbraw/zinc/28/79/01/625287901.db2.gz PADVXCZHUDSUOG-VIFPVBQESA-N 1 0 295.276 3.151 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](C)N2CCC[C@H](C)C2)c1 ZINC000185023921 625290810 /nfs/dbraw/zinc/29/08/10/625290810.db2.gz HZWCGNMWOZDJBS-JYJNAYRXSA-N 1 0 290.451 3.472 20 10 CGCDRO C[C@H]1SCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000309847251 618770962 /nfs/dbraw/zinc/77/09/62/618770962.db2.gz VBSIHJNXFOUNMB-KCJUWKMLSA-N 1 0 257.786 3.029 20 10 CGCDRO C[C@@H]1CSCC[N@@H+]1Cc1cc2c(cc1O)CCCC2 ZINC000179444600 618784911 /nfs/dbraw/zinc/78/49/11/618784911.db2.gz IHCSWSQOLOVBMY-GFCCVEGCSA-N 1 0 277.433 3.208 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2cc(Br)ccc2O)o1 ZINC000235883439 618831693 /nfs/dbraw/zinc/83/16/93/618831693.db2.gz SGBDVZKUNCPGOJ-UHFFFAOYSA-N 1 0 296.164 3.346 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCC[C@@H](CO)C1)c1ccc(N(C)C)cc1 ZINC000840895638 618963691 /nfs/dbraw/zinc/96/36/91/618963691.db2.gz POXUBUVQEUSJKX-HFTRVMKXSA-N 1 0 290.451 3.344 20 10 CGCDRO COCC[N@H+](Cc1ccccc1)Cc1cccc(C)c1O ZINC000179560381 619009202 /nfs/dbraw/zinc/00/92/02/619009202.db2.gz UNSYMWZYGNTERC-UHFFFAOYSA-N 1 0 285.387 3.349 20 10 CGCDRO CC(C)C[C@H](CO)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000185114177 619058014 /nfs/dbraw/zinc/05/80/14/619058014.db2.gz UCLKJKLEVGNJMC-XJKSGUPXSA-N 1 0 291.435 3.329 20 10 CGCDRO CCN1CCCC[C@H]1C[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000185418167 619061147 /nfs/dbraw/zinc/06/11/47/619061147.db2.gz PTSKSGUZFRNUJB-GJZGRUSLSA-N 1 0 276.424 3.226 20 10 CGCDRO CC[C@@H](C)[C@@](C)(O)C[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000776174346 619114921 /nfs/dbraw/zinc/11/49/21/619114921.db2.gz MWLHBYQDDVVSSQ-ABAIWWIYSA-N 1 0 285.815 3.241 20 10 CGCDRO Cc1cc(N(C)C)ccc1CN1CCC([NH2+]C(C)C)CC1 ZINC000840912367 619123054 /nfs/dbraw/zinc/12/30/54/619123054.db2.gz FIUBWINOUCOGDO-UHFFFAOYSA-N 1 0 289.467 3.023 20 10 CGCDRO COc1ccc(O)c(C[NH2+]Cc2ccsc2Cl)c1 ZINC000312747885 619136646 /nfs/dbraw/zinc/13/66/46/619136646.db2.gz QRBYRFXQWNXLDJ-UHFFFAOYSA-N 1 0 283.780 3.406 20 10 CGCDRO CCC[C@@H](C)[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000777401967 619151575 /nfs/dbraw/zinc/15/15/75/619151575.db2.gz UMBIVBAKXNWREN-CQSZACIVSA-N 1 0 262.397 3.006 20 10 CGCDRO CC[C@@H]1CC[C@H](C)[N@H+](Cc2cccc(OC)c2O)C1 ZINC000312973903 619160194 /nfs/dbraw/zinc/16/01/94/619160194.db2.gz CALVDKFKYOEYAN-QWHCGFSZSA-N 1 0 263.381 3.411 20 10 CGCDRO CCOC[C@@H]1CCCC[N@@H+]1Cc1cccc(OCC)c1O ZINC000313465711 619173919 /nfs/dbraw/zinc/17/39/19/619173919.db2.gz YKAUNZZFMNTLAK-HNNXBMFYSA-N 1 0 293.407 3.182 20 10 CGCDRO C[C@@H]([NH2+]CCCSc1nccs1)C1CCC1 ZINC000178462034 619206726 /nfs/dbraw/zinc/20/67/26/619206726.db2.gz GYDKGWOXMJRXAV-SNVBAGLBSA-N 1 0 256.440 3.404 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCC[C@@H](CO)C2)cc1 ZINC000314095720 619214906 /nfs/dbraw/zinc/21/49/06/619214906.db2.gz CTRDGSCGTGTXPL-SJORKVTESA-N 1 0 290.451 3.174 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@H]2C[C@@H](OC(C)C)C2(C)C)c1 ZINC000185242016 625327416 /nfs/dbraw/zinc/32/74/16/625327416.db2.gz XBURQEXCICLEKZ-JKSUJKDBSA-N 1 0 293.407 3.083 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@]1(C)CCCC[C@H]1O ZINC000840935804 619227056 /nfs/dbraw/zinc/22/70/56/619227056.db2.gz ZCXFZBUSSYLTAR-MSOLQXFVSA-N 1 0 290.451 3.092 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)c1cc(C)ccc1O)[C@H]1CCCO1 ZINC000186181769 625733336 /nfs/dbraw/zinc/73/33/36/625733336.db2.gz LHZPATJHEVWPCV-DUVNUKRYSA-N 1 0 263.381 3.309 20 10 CGCDRO COc1ccc(C[N@H+](CC2CCC2)C(C)C)c(O)c1OC ZINC000894059528 619362287 /nfs/dbraw/zinc/36/22/87/619362287.db2.gz XIHYGJVMNFWNJV-UHFFFAOYSA-N 1 0 293.407 3.420 20 10 CGCDRO COc1cc(C)cc(C[NH2+]Cc2cccs2)c1O ZINC000894141545 619390471 /nfs/dbraw/zinc/39/04/71/619390471.db2.gz UIIYORGLIGMNIR-UHFFFAOYSA-N 1 0 263.362 3.061 20 10 CGCDRO CC(C)C[C@H](CO)[NH2+]Cc1ccc2ccccc2c1O ZINC000894200438 619412453 /nfs/dbraw/zinc/41/24/53/619412453.db2.gz MFCJWOWBQNAENL-OAHLLOKOSA-N 1 0 273.376 3.042 20 10 CGCDRO COc1cc(O)c(C[N@H+](CCC(C)C)C2CC2)cc1OC ZINC000159746003 619520760 /nfs/dbraw/zinc/52/07/60/619520760.db2.gz RRGOZLYFWHCQGQ-UHFFFAOYSA-N 1 0 293.407 3.420 20 10 CGCDRO COc1cc(C)cc(C[N@H+](C)[C@@H](C)c2cccnc2)c1O ZINC000894449521 619538275 /nfs/dbraw/zinc/53/82/75/619538275.db2.gz SYZQCWVFTWQMKD-ZDUSSCGKSA-N 1 0 286.375 3.297 20 10 CGCDRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1ccc(OC)c(OC)c1O ZINC000894499017 619554514 /nfs/dbraw/zinc/55/45/14/619554514.db2.gz MWBHDFVXGCRVGU-YPMHNXCESA-N 1 0 279.380 3.172 20 10 CGCDRO OC[C@H](CC1CCC1)[NH2+]Cc1ccc2ccccc2c1O ZINC000894835121 619647190 /nfs/dbraw/zinc/64/71/90/619647190.db2.gz RVTRDHAORNXBFS-INIZCTEOSA-N 1 0 285.387 3.186 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2C[C@@H](C3CC3)[C@H]2C2CC2)c1O ZINC000894904933 619679362 /nfs/dbraw/zinc/67/93/62/619679362.db2.gz BLOSSAGVEPIJKC-DOTOQJQBSA-N 1 0 287.403 3.330 20 10 CGCDRO Cc1ncoc1C[NH2+][C@H](C)Cc1ccc(N(C)C)cc1C ZINC000895014923 619695164 /nfs/dbraw/zinc/69/51/64/619695164.db2.gz QHYFYQRORDNHCT-CYBMUJFWSA-N 1 0 287.407 3.078 20 10 CGCDRO Cc1ccncc1C[N@@H+](C)Cc1cccc(C)c1O ZINC000793337986 619715915 /nfs/dbraw/zinc/71/59/15/619715915.db2.gz ACLNPAGPGIVLCG-UHFFFAOYSA-N 1 0 256.349 3.036 20 10 CGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@H](CF)C2)cc1 ZINC000895568705 619853647 /nfs/dbraw/zinc/85/36/47/619853647.db2.gz PTEDRNHSIIEFPK-ABCZVMIZSA-N 1 0 262.372 3.057 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]C[C@@H]1CCC2(CCC2)CO1 ZINC000895808800 619887364 /nfs/dbraw/zinc/88/73/64/619887364.db2.gz DDCWSPIPYSHMJI-AWEZNQCLSA-N 1 0 275.392 3.140 20 10 CGCDRO Cc1cccc(O)c1C[NH2+][C@H]1CCCc2cccnc21 ZINC000897072549 620135542 /nfs/dbraw/zinc/13/55/42/620135542.db2.gz SQJUEPLDBJVUEH-HNNXBMFYSA-N 1 0 268.360 3.263 20 10 CGCDRO Cc1ccc(C[NH2+]CC[C@@H]2CCC3(CCC3)O2)c(O)c1 ZINC000897245891 620171665 /nfs/dbraw/zinc/17/16/65/620171665.db2.gz MDTNAPYNMMQQEG-HNNXBMFYSA-N 1 0 275.392 3.282 20 10 CGCDRO C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1[O-] ZINC000841744129 620345528 /nfs/dbraw/zinc/34/55/28/620345528.db2.gz FIIYFVBTWHLNMT-FPMFFAJLSA-N 1 0 294.826 3.323 20 10 CGCDRO C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc(Cl)cc1[O-] ZINC000841747577 620353317 /nfs/dbraw/zinc/35/33/17/620353317.db2.gz RHROQBIUSWWXLM-GFCCVEGCSA-N 1 0 296.842 3.428 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CC=CC[C@H]2C)c1 ZINC000898223740 620498700 /nfs/dbraw/zinc/49/87/00/620498700.db2.gz DQGVTPIKJAGGOR-TYNCELHUSA-N 1 0 261.365 3.406 20 10 CGCDRO CC[C@@](C)(C[NH2+][C@H](C)c1ccc(C)cc1O)OC ZINC000322944010 620526054 /nfs/dbraw/zinc/52/60/54/620526054.db2.gz QCPAZCNBOFZGCT-DOMZBBRYSA-N 1 0 251.370 3.166 20 10 CGCDRO COc1ccc(C[NH2+]CCc2ccc(Cl)cc2)c(O)c1 ZINC000040905879 620548485 /nfs/dbraw/zinc/54/84/85/620548485.db2.gz ICPRXECTPJBVBS-UHFFFAOYSA-N 1 0 291.778 3.387 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCCC[C@@H]([C@@H]3CCOC3)C2)c1O ZINC000898515895 620595132 /nfs/dbraw/zinc/59/51/32/620595132.db2.gz HJUWVPAJQNFUPB-NVXWUHKLSA-N 1 0 289.419 3.339 20 10 CGCDRO Oc1ccc(F)cc1C[N@@H+]1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000898515900 620595509 /nfs/dbraw/zinc/59/55/09/620595509.db2.gz HKEQCUOIBPCOSM-UONOGXRCSA-N 1 0 293.382 3.170 20 10 CGCDRO CNc1ccccc1C[NH2+]CCCSc1nccs1 ZINC000902255967 621210671 /nfs/dbraw/zinc/21/06/71/621210671.db2.gz OHMZVHAFQIETPL-UHFFFAOYSA-N 1 0 293.461 3.457 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](CO)CCc2ccccc2)c(O)c1 ZINC000903292671 621663205 /nfs/dbraw/zinc/66/32/05/621663205.db2.gz JYVMQOHCRFILMO-DOTOQJQBSA-N 1 0 299.414 3.345 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H]2CCCC(C)(C)O2)c1O ZINC000903355598 621713015 /nfs/dbraw/zinc/71/30/15/621713015.db2.gz IIRSWVJWXJKKJO-OLZOCXBDSA-N 1 0 293.407 3.399 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCOC23CCCC3)c(O)c1 ZINC000903383074 621725343 /nfs/dbraw/zinc/72/53/43/621725343.db2.gz LZDSKXYQOPSGIC-CJNGLKHVSA-N 1 0 275.392 3.453 20 10 CGCDRO Cc1cc(C[C@@H](C)[NH2+][C@H](C)c2cc(C)ccc2O)[nH]n1 ZINC000186130726 625519128 /nfs/dbraw/zinc/51/91/28/625519128.db2.gz PJVLEVWTZZESBE-DGCLKSJQSA-N 1 0 273.380 3.014 20 10 CGCDRO CCCC[C@@H](CC)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000042879426 621885923 /nfs/dbraw/zinc/88/59/23/621885923.db2.gz KNYMSXYQMNCOKW-GFCCVEGCSA-N 1 0 279.380 3.427 20 10 CGCDRO CCO[C@H]1CCC[N@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000155430537 622342047 /nfs/dbraw/zinc/34/20/47/622342047.db2.gz MRZVGQXRTNIQNT-HNNXBMFYSA-N 1 0 263.381 3.010 20 10 CGCDRO CCOc1ccc(C[N@H+](C)CCOC(C)(C)C)c(O)c1 ZINC000769514012 625571709 /nfs/dbraw/zinc/57/17/09/625571709.db2.gz DSMKFBJULKGXNQ-UHFFFAOYSA-N 1 0 281.396 3.038 20 10 CGCDRO COc1cccc(C2([NH2+]Cc3cc(C)ccc3O)CC2)c1 ZINC000150892500 622691269 /nfs/dbraw/zinc/69/12/69/622691269.db2.gz QOEHOWURWOLQCN-UHFFFAOYSA-N 1 0 283.371 3.488 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCOCCC(C)C)c(O)c1 ZINC000045093976 622844025 /nfs/dbraw/zinc/84/40/25/622844025.db2.gz WZPIZRPXZVCILP-AWEZNQCLSA-N 1 0 265.397 3.414 20 10 CGCDRO C[C@@H]1CC[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)[C@@H](C)C1 ZINC000226162645 622948786 /nfs/dbraw/zinc/94/87/86/622948786.db2.gz QGDOBFRBRVIAIA-MDZLAQPJSA-N 1 0 277.364 3.035 20 10 CGCDRO CCSCC[C@H](C)[NH2+]Cc1cc(F)ccc1O ZINC000226611886 622985434 /nfs/dbraw/zinc/98/54/34/622985434.db2.gz ZDIVUZGTNDWSOV-JTQLQIEISA-N 1 0 257.374 3.153 20 10 CGCDRO C[C@](CO)([NH2+]Cc1cc(Cl)ccc1O)c1ccccc1 ZINC000227212999 623012663 /nfs/dbraw/zinc/01/26/63/623012663.db2.gz NGDALAGVOLEOQM-MRXNPFEDSA-N 1 0 291.778 3.043 20 10 CGCDRO CC(C)(C)C[NH2+]Cc1cc(Br)ccc1O ZINC000227440563 623019335 /nfs/dbraw/zinc/01/93/35/623019335.db2.gz GKNVLVGACLUTIP-UHFFFAOYSA-N 1 0 272.186 3.290 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+][C@H](C)c2cccnc2)c1O ZINC000228670171 623070585 /nfs/dbraw/zinc/07/05/85/623070585.db2.gz WMSBUYNLFHDEEK-SNVBAGLBSA-N 1 0 292.766 3.300 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]C[C@H]1CCCS1 ZINC000087473213 623079968 /nfs/dbraw/zinc/07/99/68/623079968.db2.gz SGPQUQNJVHWZFE-LLVKDONJSA-N 1 0 257.786 3.031 20 10 CGCDRO Cc1cnccc1C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000229659119 623152377 /nfs/dbraw/zinc/15/23/77/623152377.db2.gz SWIJTAYYRJDVIT-AWEZNQCLSA-N 1 0 269.392 3.307 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](C)[NH3+])c1cc(Cl)cc(Cl)c1[O-] ZINC000817971981 625628511 /nfs/dbraw/zinc/62/85/11/625628511.db2.gz IORKTPNSVUEKCU-HQJQHLMTSA-N 1 0 277.195 3.087 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1Cc2ccccc2O1)c1ccc(F)cc1[O-] ZINC000062747806 623267308 /nfs/dbraw/zinc/26/73/08/623267308.db2.gz JLIURNRAMAPIRF-BXUZGUMPSA-N 1 0 287.334 3.186 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]Cc2ncc(C)s2)c1O ZINC000230934639 623284911 /nfs/dbraw/zinc/28/49/11/623284911.db2.gz BZEJACMYIFUAPK-UHFFFAOYSA-N 1 0 298.795 3.109 20 10 CGCDRO C[C@@H]([NH2+]CCOCC1CCCC1)c1ccccc1O ZINC000313268736 623638633 /nfs/dbraw/zinc/63/86/33/623638633.db2.gz WVXMIEFUNHFKQU-CYBMUJFWSA-N 1 0 263.381 3.250 20 10 CGCDRO CC[C@H](COC)[NH2+][C@H](CC)c1ccc(N(C)C)cc1 ZINC000152926850 623736879 /nfs/dbraw/zinc/73/68/79/623736879.db2.gz AKXAIBFZSVBDDM-GDBMZVCRSA-N 1 0 264.413 3.218 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CS[C@H](C(C)C)C2)c1 ZINC000754122078 623813315 /nfs/dbraw/zinc/81/33/15/623813315.db2.gz MQSFGQQFRDJXCD-WFASDCNBSA-N 1 0 281.421 3.021 20 10 CGCDRO c1cc2c(c(C[NH2+]Cc3ccc4c(c3)CCCO4)c1)OCO2 ZINC000921579091 625685061 /nfs/dbraw/zinc/68/50/61/625685061.db2.gz PGSHHZCLOVTBGF-UHFFFAOYSA-N 1 0 297.354 3.030 20 10 CGCDRO COc1cc(C)cc(C[N@H+]2C[C@H](C)C[C@H](C)C2)c1O ZINC000915791701 624029595 /nfs/dbraw/zinc/02/95/95/624029595.db2.gz DZTAJCBJFLFSJP-BETUJISGSA-N 1 0 263.381 3.187 20 10 CGCDRO COc1cc(C)cc(C[NH+]2C[C@H](C)C[C@@H](C)C2)c1O ZINC000915791702 624029840 /nfs/dbraw/zinc/02/98/40/624029840.db2.gz DZTAJCBJFLFSJP-CHWSQXEVSA-N 1 0 263.381 3.187 20 10 CGCDRO CCC[C@H]([NH2+]Cc1cc(OC)ccc1O)C1CCC1 ZINC000324782612 624590517 /nfs/dbraw/zinc/59/05/17/624590517.db2.gz HEMJHJSWTHLICX-HNNXBMFYSA-N 1 0 263.381 3.459 20 10 CGCDRO CC(=O)Nc1cccc(C[NH2+][C@H](C)c2ccccc2O)c1 ZINC000179899364 624693807 /nfs/dbraw/zinc/69/38/07/624693807.db2.gz KTDCSWCAKVTIKW-GFCCVEGCSA-N 1 0 284.359 3.201 20 10 CGCDRO COc1ccc(C[N@H+](C)Cc2cc(F)ccc2O)cc1C ZINC000180028045 624706127 /nfs/dbraw/zinc/70/61/27/624706127.db2.gz WCDGLIMAQCBCHR-UHFFFAOYSA-N 1 0 289.350 3.480 20 10 CGCDRO C[C@@H]1CC[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)[C@H](C)C1 ZINC000070111299 624956163 /nfs/dbraw/zinc/95/61/63/624956163.db2.gz QGDOBFRBRVIAIA-WZRBSPASSA-N 1 0 277.364 3.035 20 10 CGCDRO CO[C@]1(C)C[C@@H]([NH2+][C@H](C)c2ccccc2O)C1(C)C ZINC000183539648 625089510 /nfs/dbraw/zinc/08/95/10/625089510.db2.gz APQSITLUBSMSPQ-DJSGYFEHSA-N 1 0 263.381 3.246 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)[C@@H]1CCCO1 ZINC000186182550 625734832 /nfs/dbraw/zinc/73/48/32/625734832.db2.gz XINGYLNQCASROP-XEGUGMAKSA-N 1 0 267.344 3.140 20 10 CGCDRO Oc1ccc2ccccc2c1C[NH+]1CCN(CC2CC2)CC1 ZINC000054551135 625825286 /nfs/dbraw/zinc/82/52/86/625825286.db2.gz PCCYVNRNQMUWHE-UHFFFAOYSA-N 1 0 296.414 3.073 20 10 CGCDRO FC(F)(F)CC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921806765 625882682 /nfs/dbraw/zinc/88/26/82/625882682.db2.gz XZDDQJZOLHBKPA-UHFFFAOYSA-N 1 0 259.271 3.054 20 10 CGCDRO COCCC1(C[NH2+]Cc2ccc3c(c2)CCCO3)CCC1 ZINC000921841743 625898936 /nfs/dbraw/zinc/89/89/36/625898936.db2.gz KZYFNTCNUSISGB-UHFFFAOYSA-N 1 0 289.419 3.308 20 10 CGCDRO Cc1cc(C[NH2+]Cc2ccc3c(c2)CCCO3)cc(C)n1 ZINC000922192535 625982225 /nfs/dbraw/zinc/98/22/25/625982225.db2.gz WTZRCFOFDSZUEB-UHFFFAOYSA-N 1 0 282.387 3.313 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@]2(C)CCCCO2)cc1C ZINC000922821111 626052336 /nfs/dbraw/zinc/05/23/36/626052336.db2.gz UXKWFUFOGJTNOV-INIZCTEOSA-N 1 0 263.381 3.058 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H](c2cnn(C)c2)C(C)C)cc1C ZINC000922892766 626089522 /nfs/dbraw/zinc/08/95/22/626089522.db2.gz CDPXZARNELFVSF-KRWDZBQOSA-N 1 0 287.407 3.229 20 10 CGCDRO CCN(CC[NH2+][C@H](C)c1cc(C)ccc1O)C(C)C ZINC000756526174 626096668 /nfs/dbraw/zinc/09/66/68/626096668.db2.gz SYTSFKOTQMFBNO-CQSZACIVSA-N 1 0 264.413 3.082 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@]23C[C@H]2COC32CCC2)cc1 ZINC000923032396 626122846 /nfs/dbraw/zinc/12/28/46/626122846.db2.gz YUUOWUGREIRQGH-BLWBWXFKSA-N 1 0 298.430 3.067 20 10 CGCDRO Cc1ncc(C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)o1 ZINC000840794550 626245102 /nfs/dbraw/zinc/24/51/02/626245102.db2.gz LGTJQNZYHQCEKQ-PELKAZGASA-N 1 0 276.311 3.166 20 10 CGCDRO Cc1ncc(C[NH2+][C@H](C)c2c(C)cc(C)cc2O)o1 ZINC000840795177 626252329 /nfs/dbraw/zinc/25/23/29/626252329.db2.gz VOPRLLSJNYDSEC-LLVKDONJSA-N 1 0 260.337 3.156 20 10 CGCDRO Cn1cncc1CC[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000838847207 626268173 /nfs/dbraw/zinc/26/81/73/626268173.db2.gz UJVGSTNUNSJHBA-UHFFFAOYSA-N 1 0 299.418 3.113 20 10 CGCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000840818949 626328154 /nfs/dbraw/zinc/32/81/54/626328154.db2.gz DPGXIFSFBMCOAS-FIXIBIHLSA-N 1 0 289.375 3.018 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cccc(Cl)c1[O-] ZINC000806138894 626360652 /nfs/dbraw/zinc/36/06/52/626360652.db2.gz DLVQAEUKKQEJCB-IUODEOHRSA-N 1 0 296.842 3.428 20 10 CGCDRO CO[C@@H]1CC[N@H+](Cc2cc(C)cc(C(C)(C)C)c2O)C1 ZINC000751940007 626412242 /nfs/dbraw/zinc/41/22/42/626412242.db2.gz MJNRMGWSVSHYNP-CQSZACIVSA-N 1 0 277.408 3.219 20 10 CGCDRO COC[C@H]1CCC[N@@H+]1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000751948689 626412649 /nfs/dbraw/zinc/41/26/49/626412649.db2.gz DMGGJOIVHQPBLH-CQSZACIVSA-N 1 0 293.407 3.006 20 10 CGCDRO CC(C)[N@@H+]1CCCC[C@@H]1CSc1nccs1 ZINC000752931276 626442121 /nfs/dbraw/zinc/44/21/21/626442121.db2.gz NNHSWUOEKGLATP-LLVKDONJSA-N 1 0 256.440 3.498 20 10 CGCDRO CCN1CCC[C@@H]1C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756357737 626695711 /nfs/dbraw/zinc/69/57/11/626695711.db2.gz PGKJZBLDRRMWGA-BZPMIXESSA-N 1 0 292.398 3.154 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCCO2)c2c1c(F)ccc2O ZINC000756402908 626702342 /nfs/dbraw/zinc/70/23/42/626702342.db2.gz ZQRQINFIMLENNS-NQBHXWOUSA-N 1 0 279.355 3.238 20 10 CGCDRO C[C@H]([NH2+]CCOCC(F)(F)F)c1cc(Cl)ccc1O ZINC000756469844 626707679 /nfs/dbraw/zinc/70/76/79/626707679.db2.gz LKTOUNBVPIZHRL-QMMMGPOBSA-N 1 0 297.704 3.275 20 10 CGCDRO CCN(CC[NH2+][C@H](C)c1cc(Cl)ccc1O)C(C)C ZINC000756526162 626711708 /nfs/dbraw/zinc/71/17/08/626711708.db2.gz SRMDXXRQRFNATF-GFCCVEGCSA-N 1 0 284.831 3.427 20 10 CGCDRO CCN(CC)C[C@H](C)[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756536411 626713163 /nfs/dbraw/zinc/71/31/63/626713163.db2.gz VKAUFONCDBLXJZ-SGMGOOAPSA-N 1 0 294.414 3.400 20 10 CGCDRO CC[NH+]1CCC(C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])CC1 ZINC000756535799 626713393 /nfs/dbraw/zinc/71/33/93/626713393.db2.gz RMSOVPVVQKSOLF-LLVKDONJSA-N 1 0 298.377 3.053 20 10 CGCDRO C[C@H](C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)N(C)C1CC1 ZINC000756551807 626713678 /nfs/dbraw/zinc/71/36/78/626713678.db2.gz XZTVYBXLJCZSRD-GYSYKLTISA-N 1 0 292.398 3.152 20 10 CGCDRO C[C@H]([NH2+]CCN1[C@@H](C)CCC[C@@H]1C)c1cc(F)ccc1O ZINC000756554935 626714502 /nfs/dbraw/zinc/71/45/02/626714502.db2.gz OSRIWEWIBZTVOD-IHRRRGAJSA-N 1 0 294.414 3.445 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@](C)(O)C(C)C)c(O)c1C ZINC000756578599 626717658 /nfs/dbraw/zinc/71/76/58/626717658.db2.gz XBRDNFXNZVQYDP-XJKSGUPXSA-N 1 0 265.397 3.067 20 10 CGCDRO CC[C@H](C[C@@H](C)CO)[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000756626323 626721052 /nfs/dbraw/zinc/72/10/52/626721052.db2.gz NTIUQFYCAUBKFD-HZSPNIEDSA-N 1 0 265.397 3.148 20 10 CGCDRO C[C@@H]([NH2+]CCN1CCC[C@H]1C)c1cc(Cl)ccc1O ZINC000756618156 626721538 /nfs/dbraw/zinc/72/15/38/626721538.db2.gz RIJJWHZHAJIMSC-VXGBXAGGSA-N 1 0 282.815 3.181 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccn(C)c2)c2c1c(F)ccc2O ZINC000756638939 626723145 /nfs/dbraw/zinc/72/31/45/626723145.db2.gz XHFYNUDFCUNZEJ-MFKMUULPSA-N 1 0 274.339 3.208 20 10 CGCDRO COC1CCC(C[NH2+][C@H](C)c2cc(F)ccc2O)CC1 ZINC000756641857 626723547 /nfs/dbraw/zinc/72/35/47/626723547.db2.gz JCKBYXJVCRYXEH-LKSINWNRSA-N 1 0 281.371 3.387 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C[C@@H]2CCOC2)c(O)c1C ZINC000756644701 626724007 /nfs/dbraw/zinc/72/40/07/626724007.db2.gz BIIJMNIVHJMKCX-QEJZJMRPSA-N 1 0 277.408 3.475 20 10 CGCDRO COC(C)(C)C[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756647374 626724037 /nfs/dbraw/zinc/72/40/37/626724037.db2.gz TVIPBMMEYLHUIN-MWLCHTKSSA-N 1 0 267.344 3.094 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)C[C@@H]2CCOC2)c1 ZINC000756645725 626724259 /nfs/dbraw/zinc/72/42/59/626724259.db2.gz JLNXVPCPWQTMBI-RDBSUJKOSA-N 1 0 263.381 3.166 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCc2cscn2)c(O)c1C ZINC000756662200 626725123 /nfs/dbraw/zinc/72/51/23/626725123.db2.gz YELOBVRUXWBUGW-LBPRGKRZSA-N 1 0 276.405 3.359 20 10 CGCDRO C[C@@H]([NH2+]CCC(=O)NC(C)(C)C)c1cc(Cl)ccc1O ZINC000756682500 626726351 /nfs/dbraw/zinc/72/63/51/626726351.db2.gz HHKCBTMFZKLXMN-SNVBAGLBSA-N 1 0 298.814 3.001 20 10 CGCDRO C[C@@H]([NH2+][C@H](C)c1cc(Cl)ccc1O)c1cn[nH]c1 ZINC000756776759 626731220 /nfs/dbraw/zinc/73/12/20/626731220.db2.gz RBOQLRCUSBOOEA-RKDXNWHRSA-N 1 0 265.744 3.181 20 10 CGCDRO C[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)[C@H]1CCCOC1 ZINC000757637901 626796394 /nfs/dbraw/zinc/79/63/94/626796394.db2.gz OQARFLQGCOPVOG-UHXUPSOCSA-N 1 0 293.382 3.484 20 10 CGCDRO C[C@H]([NH2+]Cc1nn(C)c2ccccc12)c1cc(F)ccc1O ZINC000760898129 627001480 /nfs/dbraw/zinc/00/14/80/627001480.db2.gz OJIONPWMPSBJEP-NSHDSACASA-N 1 0 299.349 3.269 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)CC1(C)C ZINC000761225767 627026699 /nfs/dbraw/zinc/02/66/99/627026699.db2.gz LNZZOMUVIVNOJX-LLVKDONJSA-N 1 0 251.345 3.399 20 10 CGCDRO CCCC[C@@H](COC)[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000765478088 627252896 /nfs/dbraw/zinc/25/28/96/627252896.db2.gz BHCCJDCFWWPFAS-KRWDZBQOSA-N 1 0 290.451 3.364 20 10 CGCDRO C[N@H+](Cc1cc(C(C)(C)C)cc(O)c1O)[C@@H]1CCSC1 ZINC000125052837 634559839 /nfs/dbraw/zinc/55/98/39/634559839.db2.gz WGZWZNNQJBVQIA-CYBMUJFWSA-N 1 0 295.448 3.333 20 10 CGCDRO CC(C)O[C@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)cc2)C1(C)C ZINC000765811985 627273147 /nfs/dbraw/zinc/27/31/47/627273147.db2.gz SIKPGHSZPDGUAE-IRXDYDNUSA-N 1 0 290.451 3.434 20 10 CGCDRO COc1cccc(C[NH2+][C@H]2C[C@@H](OC(C)C)C2(C)C)c1O ZINC000766091180 627294596 /nfs/dbraw/zinc/29/45/96/627294596.db2.gz WPACFUJPUXQQAM-LSDHHAIUSA-N 1 0 293.407 3.083 20 10 CGCDRO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1ccc(N2CCOCC2)cc1 ZINC000768137636 627462617 /nfs/dbraw/zinc/46/26/17/627462617.db2.gz QKJPOONYIPKWLI-HZPDHXFCSA-N 1 0 288.435 3.286 20 10 CGCDRO C[C@H]1c2cccn2CCN1Cc1c(O)cccc1Cl ZINC000768161623 627464272 /nfs/dbraw/zinc/46/42/72/627464272.db2.gz ITFJULXGJTVOIG-NSHDSACASA-N 1 0 276.767 3.424 20 10 CGCDRO COc1cccc(O)c1C[N@H+](C)C1CCC(C)CC1 ZINC000768197646 627468146 /nfs/dbraw/zinc/46/81/46/627468146.db2.gz LMEYPUMFPGVJAR-UHFFFAOYSA-N 1 0 263.381 3.411 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)ccc2O)CCO1 ZINC000768230185 627469988 /nfs/dbraw/zinc/46/99/88/627469988.db2.gz RIFDRIPHIHUSIE-CQSZACIVSA-N 1 0 283.371 3.280 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]2C(C)C)cc1OC ZINC000768444491 627480384 /nfs/dbraw/zinc/48/03/84/627480384.db2.gz YMIPFWHPXBKLLR-CYBMUJFWSA-N 1 0 279.380 3.030 20 10 CGCDRO COc1cc(C[N@@H+]2CCCC(C)(C)C2)c(O)cc1C ZINC000768445813 627480582 /nfs/dbraw/zinc/48/05/82/627480582.db2.gz IIHNDSUDQKNTNG-UHFFFAOYSA-N 1 0 263.381 3.331 20 10 CGCDRO CCC[N@@H+](Cc1c(O)cccc1OC)CC(C)C ZINC000768477578 627482120 /nfs/dbraw/zinc/48/21/20/627482120.db2.gz FPSVZRBCUKBPMK-UHFFFAOYSA-N 1 0 251.370 3.269 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H]2C[C@H](OC(C)C)C2(C)C)c1O ZINC000768525159 627483862 /nfs/dbraw/zinc/48/38/62/627483862.db2.gz UDDHDIAZKRTZMV-CABCVRRESA-N 1 0 277.408 3.382 20 10 CGCDRO CC(C)[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000768521424 627484060 /nfs/dbraw/zinc/48/40/60/627484060.db2.gz YTOFLPVZHJWUHF-UHFFFAOYSA-N 1 0 292.398 3.035 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2C2CC2)cc1F ZINC000769327429 627541988 /nfs/dbraw/zinc/54/19/88/627541988.db2.gz BGKWJDHBSQPKSO-OAHLLOKOSA-N 1 0 262.372 3.266 20 10 CGCDRO CC[C@@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)CCS1 ZINC000769447874 627553509 /nfs/dbraw/zinc/55/35/09/627553509.db2.gz ZGZXXXHETSCBLZ-CYBMUJFWSA-N 1 0 282.428 3.219 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCCOC[C@H]2C)cc1F ZINC000769456241 627554772 /nfs/dbraw/zinc/55/47/72/627554772.db2.gz HOXYVEIGDZVXED-CQSZACIVSA-N 1 0 294.414 3.283 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCOC[C@@H](C)C2)cc1F ZINC000769457796 627554830 /nfs/dbraw/zinc/55/48/30/627554830.db2.gz UTAXTWKMZVZIMD-AWEZNQCLSA-N 1 0 294.414 3.140 20 10 CGCDRO CO[C@@H](C)C[N@H+](Cc1cc(C)c(C)cc1O)C(C)C ZINC000769475295 627558190 /nfs/dbraw/zinc/55/81/90/627558190.db2.gz VYKJJUJBFMLOQM-AWEZNQCLSA-N 1 0 265.397 3.254 20 10 CGCDRO CCOc1cccc(C[N@H+](C)Cc2cccc(C)n2)c1O ZINC000769480314 627558774 /nfs/dbraw/zinc/55/87/74/627558774.db2.gz MRCVPQIDCDXJOL-UHFFFAOYSA-N 1 0 286.375 3.126 20 10 CGCDRO COc1cccc(O)c1C[N@H+](C)[C@H]1C[C@@](C)(OC)C1(C)C ZINC000769548614 627565197 /nfs/dbraw/zinc/56/51/97/627565197.db2.gz IZCGTDMFPLHALJ-DOTOQJQBSA-N 1 0 293.407 3.036 20 10 CGCDRO CCc1noc(C)c1[C@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000769874906 627585995 /nfs/dbraw/zinc/58/59/95/627585995.db2.gz QQDPXVJBIWXOIJ-NSHDSACASA-N 1 0 286.375 3.331 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C2CC(OC(C)C)C2)c1 ZINC000769995593 627596547 /nfs/dbraw/zinc/59/65/47/627596547.db2.gz NWWCUTUMDFLPHP-DCBWTQNWSA-N 1 0 279.380 3.007 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@]2(C)CCCOC2)cc1F ZINC000771890141 627741381 /nfs/dbraw/zinc/74/13/81/627741381.db2.gz AJNRCIROAQJDAG-KRWDZBQOSA-N 1 0 294.414 3.331 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)c(O)c1 ZINC000772597346 627805022 /nfs/dbraw/zinc/80/50/22/627805022.db2.gz DDHYPQRKULXNKS-INIZCTEOSA-N 1 0 286.375 3.456 20 10 CGCDRO CCN(C)c1ccc(C[N@H+](C)Cc2ccoc2)cc1 ZINC000773745380 627909737 /nfs/dbraw/zinc/90/97/37/627909737.db2.gz BJTPRSHUILLMRP-UHFFFAOYSA-N 1 0 258.365 3.368 20 10 CGCDRO CCN(C)c1ccc(C[N@H+](C[C@@H](C)OC)C(C)C)cc1 ZINC000773750713 627910246 /nfs/dbraw/zinc/91/02/46/627910246.db2.gz DZSGVNZRLKDPOP-OAHLLOKOSA-N 1 0 278.440 3.388 20 10 CGCDRO CCN(C)c1ccc(C[NH+]2C[C@@H](C)S[C@H](C)C2)cc1 ZINC000773756713 627911214 /nfs/dbraw/zinc/91/12/14/627911214.db2.gz YJCKPYYGJTXJMO-ZIAGYGMSSA-N 1 0 278.465 3.469 20 10 CGCDRO CCN(C)c1ccc(C[N@H+](C)[C@]2(CO)CC[C@@H](C)C2)cc1 ZINC000773861891 627921290 /nfs/dbraw/zinc/92/12/90/627921290.db2.gz ACZJIVMTBPBYDA-CRAIPNDOSA-N 1 0 290.451 3.126 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2C[C@H](C)O[C@@H](C)[C@@H]2C)cc1 ZINC000773887220 627925118 /nfs/dbraw/zinc/92/51/18/627925118.db2.gz DZPRHWLNYVIPNJ-KKUMJFAQSA-N 1 0 276.424 3.140 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000775361297 628086256 /nfs/dbraw/zinc/08/62/56/628086256.db2.gz CIQVWQRYWROHBR-ZDUSSCGKSA-N 1 0 285.391 3.012 20 10 CGCDRO CC[C@@H]([NH2+]CCCn1cccn1)c1cc(Cl)ccc1O ZINC000775486113 628099385 /nfs/dbraw/zinc/09/93/85/628099385.db2.gz AQYJKTKLFPIKFB-CQSZACIVSA-N 1 0 293.798 3.373 20 10 CGCDRO CC[C@H]([NH2+][C@H](CO)C(C)C)c1cc(Cl)ccc1O ZINC000775512505 628102652 /nfs/dbraw/zinc/10/26/52/628102652.db2.gz QQISVKWOYMUACZ-QWHCGFSZSA-N 1 0 271.788 3.103 20 10 CGCDRO C/C=C\C[C@H](CO)[NH2+][C@@H](CC)c1cc(Cl)ccc1O ZINC000775554386 628106364 /nfs/dbraw/zinc/10/63/64/628106364.db2.gz ITWUBEUQCKIVLM-CRFLGQKZSA-N 1 0 283.799 3.413 20 10 CGCDRO Cc1cc(Cl)cc(C[N@H+](CCO)C2CCCC2)c1O ZINC000775636947 628117435 /nfs/dbraw/zinc/11/74/35/628117435.db2.gz JIHSWYPVAGVSPR-UHFFFAOYSA-N 1 0 283.799 3.091 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)c1 ZINC000775660604 628121257 /nfs/dbraw/zinc/12/12/57/628121257.db2.gz FWJIOHOAXAQORD-QGZVFWFLSA-N 1 0 299.370 3.444 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+](C)[C@@H]2CCN(C3CC3)C2)c1O ZINC000775680316 628124808 /nfs/dbraw/zinc/12/48/08/628124808.db2.gz AJRDMPLNTNZXDQ-OAHLLOKOSA-N 1 0 294.826 3.023 20 10 CGCDRO CCn1cc(C[N@H+](C)Cc2cc(Cl)cc(C)c2O)cn1 ZINC000775700949 628127691 /nfs/dbraw/zinc/12/76/91/628127691.db2.gz ULMACGROYQVLSJ-UHFFFAOYSA-N 1 0 293.798 3.202 20 10 CGCDRO Cc1cccc(C[N@@H+]2CC(C)(C)OCC2(C)C)c1O ZINC000775703790 628127694 /nfs/dbraw/zinc/12/76/94/628127694.db2.gz YJVHLHFARBABMB-UHFFFAOYSA-N 1 0 263.381 3.090 20 10 CGCDRO C[C@H]([NH2+]CCCCCCCO)c1ccc(N(C)C)cc1 ZINC000775838320 628140976 /nfs/dbraw/zinc/14/09/76/628140976.db2.gz XBIRMOONSTWEAB-HNNXBMFYSA-N 1 0 278.440 3.346 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCOCC2(CCCC2)C1 ZINC000776017823 628158040 /nfs/dbraw/zinc/15/80/40/628158040.db2.gz SRHLEXDGCJBLCA-UHFFFAOYSA-N 1 0 295.810 3.438 20 10 CGCDRO COc1ccc(C[NH2+]Cc2cc(Cl)ccc2O)c(F)c1 ZINC000776248819 628184643 /nfs/dbraw/zinc/18/46/43/628184643.db2.gz PDXBZCCFGQZLPM-UHFFFAOYSA-N 1 0 295.741 3.483 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H]2C2CCOCC2)cc1C ZINC000776768151 628231244 /nfs/dbraw/zinc/23/12/44/628231244.db2.gz CSCRVZAAECNXHX-QGZVFWFLSA-N 1 0 289.419 3.400 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCO[C@H](C(C)C)C1 ZINC000777436231 628269974 /nfs/dbraw/zinc/26/99/74/628269974.db2.gz NRUJXUYCQKIVTI-AEFFLSMTSA-N 1 0 290.451 3.354 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2CC[C@H](C)[C@@H](F)C2)cc1C ZINC000777965661 628316855 /nfs/dbraw/zinc/31/68/55/628316855.db2.gz BXLBNRZJGDLMEQ-HZMBPMFUSA-N 1 0 251.345 3.189 20 10 CGCDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cc(F)ccc2O)C1(C)C ZINC000779027313 628383918 /nfs/dbraw/zinc/38/39/18/628383918.db2.gz QNBVRGMDAHESFP-HUUCEWRRSA-N 1 0 281.371 3.167 20 10 CGCDRO C[C@H]1C[N@H+](Cc2cc(-c3ccccc3)ccc2O)CC[C@H]1O ZINC000779199140 628393632 /nfs/dbraw/zinc/39/36/32/628393632.db2.gz UWQDSZXCFDFVDE-KBXCAEBGSA-N 1 0 297.398 3.262 20 10 CGCDRO OCC[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000779201937 628393651 /nfs/dbraw/zinc/39/36/51/628393651.db2.gz IYVXRFKPOJAKST-KRWDZBQOSA-N 1 0 288.435 3.024 20 10 CGCDRO CCN(CC)c1ccc(CN(C)CC[NH+]2CCCC2)cc1 ZINC000781619103 628580342 /nfs/dbraw/zinc/58/03/42/628580342.db2.gz NOEGHVGZLWQHHB-UHFFFAOYSA-N 1 0 289.467 3.060 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)c1ccccc1O)C1CCOCC1 ZINC000783517984 628720076 /nfs/dbraw/zinc/72/00/76/628720076.db2.gz MCRMHRCLXXQTJC-WFASDCNBSA-N 1 0 263.381 3.248 20 10 CGCDRO COc1cccc(C[NH2+]C2(C)CCC(F)(F)CC2)c1O ZINC000784620910 628825592 /nfs/dbraw/zinc/82/55/92/628825592.db2.gz DEGPMQISUWBWPQ-UHFFFAOYSA-N 1 0 285.334 3.458 20 10 CGCDRO COc1ccc2c(c1)CC[C@@H]([NH2+]Cc1cc(C)ccc1O)C2 ZINC000784625665 628825724 /nfs/dbraw/zinc/82/57/24/628825724.db2.gz ZHMNJJUVEHGMKF-QGZVFWFLSA-N 1 0 297.398 3.356 20 10 CGCDRO CO[C@H](C)[C@H](C)[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000786575946 628949309 /nfs/dbraw/zinc/94/93/09/628949309.db2.gz ORBHPUFNYANIOR-DTHBNOIPSA-N 1 0 267.344 3.093 20 10 CGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H]2CCC[C@H]2C)c1O ZINC000787994712 629038654 /nfs/dbraw/zinc/03/86/54/629038654.db2.gz KTMOMCNAJRTDSF-YMTOWFKASA-N 1 0 265.328 3.012 20 10 CGCDRO CC[C@@H]([NH2+]CCC[C@H](C)O)c1cc(Cl)ccc1O ZINC000788604852 629067466 /nfs/dbraw/zinc/06/74/66/629067466.db2.gz MWFDSPIGRYZNSD-GXFFZTMASA-N 1 0 271.788 3.247 20 10 CGCDRO Cc1ccc([C@@H](O)C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)o1 ZINC000788603967 629068708 /nfs/dbraw/zinc/06/87/08/629068708.db2.gz ROCJGVMPRSKEEU-ZFWWWQNUSA-N 1 0 289.375 3.295 20 10 CGCDRO C[C@H](O)CCC[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000789307487 629123077 /nfs/dbraw/zinc/12/30/77/629123077.db2.gz ZIDMEIVWWZFZOP-INIZCTEOSA-N 1 0 290.451 3.270 20 10 CGCDRO C[C@H]([NH2+]C[C@@H](O)CC1CCCC1)c1ccc(N(C)C)cc1 ZINC000789388804 629129336 /nfs/dbraw/zinc/12/93/36/629129336.db2.gz RFMMLUAPHQEMBM-KSSFIOAISA-N 1 0 290.451 3.344 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CCO[C@@H](C(C)(C)C)C2)c(O)c1 ZINC000790930746 629241491 /nfs/dbraw/zinc/24/14/91/629241491.db2.gz HYFNOEGEXHAOPK-MRXNPFEDSA-N 1 0 293.407 3.038 20 10 CGCDRO C[C@@H](C1CC1)[N@H+](C)Cc1cc(F)c(N(C)C)cc1F ZINC000862224792 629326408 /nfs/dbraw/zinc/32/64/08/629326408.db2.gz LXJIUYNZEBHISL-JTQLQIEISA-N 1 0 268.351 3.261 20 10 CGCDRO CN(C)c1cc(F)c(CN(C)C[C@@H]2CCCCO2)cc1F ZINC000862231730 629327280 /nfs/dbraw/zinc/32/72/80/629327280.db2.gz KNTVGXDRJQTOQC-ZDUSSCGKSA-N 1 0 298.377 3.032 20 10 CGCDRO Oc1ccccc1C[NH2+]Cc1ccnn1-c1ccc(F)cc1 ZINC000792953111 629397301 /nfs/dbraw/zinc/39/73/01/629397301.db2.gz YKFVZQBLSRFVCK-UHFFFAOYSA-N 1 0 297.333 3.007 20 10 CGCDRO Cc1ccc(CCC[NH2+]Cc2ccc(N(C)C)cc2C)cn1 ZINC000792978184 629399607 /nfs/dbraw/zinc/39/96/07/629399607.db2.gz RXGWRKFBZJAXBJ-UHFFFAOYSA-N 1 0 297.446 3.487 20 10 CGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@H](C)[C@H]1CCCOC1 ZINC000793192761 629426578 /nfs/dbraw/zinc/42/65/78/629426578.db2.gz RSZJXMDXZXWYNG-ZBFHGGJFSA-N 1 0 276.424 3.177 20 10 CGCDRO CC[N@@H+](Cc1cc(OC)c(OC)cc1O)CC1CCC1 ZINC000793353117 629446462 /nfs/dbraw/zinc/44/64/62/629446462.db2.gz ROGADUTZFBAWBT-UHFFFAOYSA-N 1 0 279.380 3.031 20 10 CGCDRO CCOc1cccc(C[N@H+](CC)CC2CCC2)c1O ZINC000793351835 629446580 /nfs/dbraw/zinc/44/65/80/629446580.db2.gz HNOCFDSXBHXKJO-UHFFFAOYSA-N 1 0 263.381 3.413 20 10 CGCDRO COc1ccc(O)c(C[N@H+](C)[C@@H]2CCC(C)(C)C2)c1 ZINC000793351038 629446684 /nfs/dbraw/zinc/44/66/84/629446684.db2.gz FJPBYTQZDUWDLO-CYBMUJFWSA-N 1 0 263.381 3.411 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c1 ZINC000793530437 629477381 /nfs/dbraw/zinc/47/73/81/629477381.db2.gz OBIWNQYXLBMAOT-HIFRSBDPSA-N 1 0 281.346 3.486 20 10 CGCDRO C[C@H]([NH2+]CCc1ccc2c[nH]nc2c1)c1ccccc1O ZINC000793566352 629484951 /nfs/dbraw/zinc/48/49/51/629484951.db2.gz FEWFLLSACOUTCK-LBPRGKRZSA-N 1 0 281.359 3.162 20 10 CGCDRO OCC[C@@H]1CCCCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000793609656 629490104 /nfs/dbraw/zinc/49/01/04/629490104.db2.gz QTSWBMBZKISBHK-AWEZNQCLSA-N 1 0 283.799 3.173 20 10 CGCDRO COc1cc(C)cc(C[N@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)c1O ZINC000863274409 629517794 /nfs/dbraw/zinc/51/77/94/629517794.db2.gz JSMOOZPDNNFWIH-TXEJJXNPSA-N 1 0 299.361 3.432 20 10 CGCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H]3CC[C@@H](C1)S3)CCC2 ZINC000863294914 629527186 /nfs/dbraw/zinc/52/71/86/629527186.db2.gz HBWVSGACVXBHRW-CVEARBPZSA-N 1 0 289.444 3.351 20 10 CGCDRO CC[C@H]([NH2+]C[C@H]1CCCN1CC)c1ccc(C)cc1O ZINC000794796585 629578168 /nfs/dbraw/zinc/57/81/68/629578168.db2.gz VJZVLOUHXXUUJY-ZBFHGGJFSA-N 1 0 276.424 3.226 20 10 CGCDRO CC[C@@H]([NH2+]CCOCC(F)(F)F)c1ccc(C)cc1O ZINC000794805178 629579171 /nfs/dbraw/zinc/57/91/71/629579171.db2.gz WLUQBXYQDVDYAU-GFCCVEGCSA-N 1 0 291.313 3.320 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)[C@@H]1CCOC1)c1ccc(C)cc1O ZINC000794803734 629579581 /nfs/dbraw/zinc/57/95/81/629579581.db2.gz SQOQFDGYBHYKKM-GUTXKFCHSA-N 1 0 263.381 3.166 20 10 CGCDRO CCc1cc(C[NH2+][C@@H](CC)c2ccc(C)cc2O)[nH]n1 ZINC000794806356 629580051 /nfs/dbraw/zinc/58/00/51/629580051.db2.gz HUVFWMGAESMEPF-HNNXBMFYSA-N 1 0 273.380 3.227 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)CN(CC)CC)c1ccc(C)cc1O ZINC000794806388 629580614 /nfs/dbraw/zinc/58/06/14/629580614.db2.gz IDHPYLDEYNLFCC-ZBFHGGJFSA-N 1 0 278.440 3.472 20 10 CGCDRO CCOC1CC(C[N@H+](CC)Cc2ccc(N(C)C)cc2)C1 ZINC000795854748 629720675 /nfs/dbraw/zinc/72/06/75/629720675.db2.gz FUIBIUYXOPHFSX-UHFFFAOYSA-N 1 0 290.451 3.390 20 10 CGCDRO CCc1cccc(C[NH2+][C@H](C2CCC2)[C@H]2CCCO2)c1O ZINC000864052237 629746398 /nfs/dbraw/zinc/74/63/98/629746398.db2.gz FSQHZJOBKHESAK-IAGOWNOFSA-N 1 0 289.419 3.392 20 10 CGCDRO CC[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc(F)cc1[O-] ZINC000796664473 629812009 /nfs/dbraw/zinc/81/20/09/629812009.db2.gz XHVXYXBJHMRHJF-AWEZNQCLSA-N 1 0 282.403 3.160 20 10 CGCDRO CC[C@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1ccc(F)cc1[O-] ZINC000796693789 629816027 /nfs/dbraw/zinc/81/60/27/629816027.db2.gz JGKZOBNLFUMFCJ-BBRMVZONSA-N 1 0 294.414 3.304 20 10 CGCDRO C[C@H]([NH2+][C@H]1CC[C@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000797133866 629893111 /nfs/dbraw/zinc/89/31/11/629893111.db2.gz QXKTYIKSDQYGSU-WWGRRREGSA-N 1 0 292.398 3.111 20 10 CGCDRO COc1cc(C)cc(C[N@H+]2CC(C)=C[C@@H](C)C2)c1O ZINC000797416434 629944084 /nfs/dbraw/zinc/94/40/84/629944084.db2.gz ICXRFCIWGDMNHO-GFCCVEGCSA-N 1 0 261.365 3.107 20 10 CGCDRO COc1cccc(O)c1C[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000797876600 629994686 /nfs/dbraw/zinc/99/46/86/629994686.db2.gz CHDPVJXBRPMUDT-SHTZXODSSA-N 1 0 283.371 3.437 20 10 CGCDRO Oc1ccccc1C[NH2+]C[C@@H]1CCCN1C1CCCCC1 ZINC000797890464 629997244 /nfs/dbraw/zinc/99/72/44/629997244.db2.gz MOFSDONBPXCLMT-KRWDZBQOSA-N 1 0 288.435 3.279 20 10 CGCDRO CN(C)c1ccc(C[NH2+]Cc2ccnn2CC2CCC2)cc1 ZINC000865405131 630106007 /nfs/dbraw/zinc/10/60/07/630106007.db2.gz XDGWONCWIVESIK-UHFFFAOYSA-N 1 0 298.434 3.039 20 10 CGCDRO Oc1cccc(Cl)c1C[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000798962955 630129226 /nfs/dbraw/zinc/12/92/26/630129226.db2.gz UJWGRCNRLPQKCR-GFCCVEGCSA-N 1 0 288.778 3.430 20 10 CGCDRO CSCCC[N@H+](C)Cc1cc(Cl)ccc1O ZINC000798963918 630131104 /nfs/dbraw/zinc/13/11/04/630131104.db2.gz KYPVOIIELJUPLZ-UHFFFAOYSA-N 1 0 259.802 3.231 20 10 CGCDRO COc1cc(C[N@@H+]2CC[C@H](c3ccccn3)C2)c(O)cc1C ZINC000799156593 630150401 /nfs/dbraw/zinc/15/04/01/630150401.db2.gz VXAGVPFCXPTGBR-AWEZNQCLSA-N 1 0 298.386 3.094 20 10 CGCDRO CSCCC[N@H+](C)Cc1c(O)ccc2ccncc21 ZINC000799161128 630151373 /nfs/dbraw/zinc/15/13/73/630151373.db2.gz PFOCMQBVQFFUAM-UHFFFAOYSA-N 1 0 276.405 3.125 20 10 CGCDRO c1cc2c(cccc2CC[NH2+]Cc2ccc3c(c2)CCO3)[nH]1 ZINC000800296992 630263200 /nfs/dbraw/zinc/26/32/00/630263200.db2.gz OSRYCEVJBKFWQX-UHFFFAOYSA-N 1 0 292.382 3.435 20 10 CGCDRO CCC(CC)(CCO)[NH2+]Cc1cc(Cl)ccc1O ZINC000800894893 630309914 /nfs/dbraw/zinc/30/99/14/630309914.db2.gz PMMUEVMJJFIUAS-UHFFFAOYSA-N 1 0 271.788 3.076 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000802656419 630403375 /nfs/dbraw/zinc/40/33/75/630403375.db2.gz LDXMNFGGWAKROD-KRWDZBQOSA-N 1 0 271.335 3.463 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)c1 ZINC000840095176 630591105 /nfs/dbraw/zinc/59/11/05/630591105.db2.gz OHUUHBDNBRFFGZ-QZTJIDSGSA-N 1 0 287.403 3.152 20 10 CGCDRO COc1ccc(C[NH2+]Cc2ccccc2O)c(C)c1OC ZINC000808385392 630640623 /nfs/dbraw/zinc/64/06/23/630640623.db2.gz MTXKSGRTYCZYCC-UHFFFAOYSA-N 1 0 287.359 3.008 20 10 CGCDRO COC[C@H](C)[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808671923 630662637 /nfs/dbraw/zinc/66/26/37/630662637.db2.gz WBUPOXPVHBGBGZ-UWVGGRQHSA-N 1 0 257.761 3.040 20 10 CGCDRO CCN1CCC([NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)CC1 ZINC000808673082 630663122 /nfs/dbraw/zinc/66/31/22/630663122.db2.gz WTLPRGLSHHQPNM-LBPRGKRZSA-N 1 0 296.842 3.489 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](C)N(C)C2CC2)c1O ZINC000808693144 630664957 /nfs/dbraw/zinc/66/49/57/630664957.db2.gz VXHLKVVQEIOZBA-RYUDHWBXSA-N 1 0 296.842 3.487 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCOC2)c1O ZINC000808699740 630666657 /nfs/dbraw/zinc/66/66/57/630666657.db2.gz PBJCFORVGKXYMZ-SDDRHHMPSA-N 1 0 283.799 3.430 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCOC[C@@H]2C)c1O ZINC000808716399 630670618 /nfs/dbraw/zinc/67/06/18/630670618.db2.gz NGLSXBFHBIOKMA-COPLHBTASA-N 1 0 283.799 3.430 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCC[C@H](C)O)c1O ZINC000808716813 630670713 /nfs/dbraw/zinc/67/07/13/630670713.db2.gz WQSCNWPMSBQKDM-QWRGUYRKSA-N 1 0 271.788 3.166 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CC(C)(C)C[C@@H]2C)cc1OC ZINC000840181634 630754373 /nfs/dbraw/zinc/75/43/73/630754373.db2.gz SYAFQBOWJJDIMO-NSHDSACASA-N 1 0 279.380 3.030 20 10 CGCDRO Cc1ccncc1CCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000809612517 630761862 /nfs/dbraw/zinc/76/18/62/630761862.db2.gz POAHXGSOGKSYME-UHFFFAOYSA-N 1 0 282.387 3.047 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H]2c2cccnc2)c1 ZINC000809728969 630792915 /nfs/dbraw/zinc/79/29/15/630792915.db2.gz NENUHKVBMMREBZ-INIZCTEOSA-N 1 0 284.359 3.133 20 10 CGCDRO COc1cccc(C[NH2+]Cc2cncc3ccccc32)c1O ZINC000809740180 630796161 /nfs/dbraw/zinc/79/61/61/630796161.db2.gz NZYIOCHEMQOIJI-UHFFFAOYSA-N 1 0 294.354 3.239 20 10 CGCDRO COc1cccc(C[NH2+]C[C@@H](C)Cc2ccccc2)c1O ZINC000809739904 630796802 /nfs/dbraw/zinc/79/68/02/630796802.db2.gz WHXOSYFPWPWLKI-AWEZNQCLSA-N 1 0 285.387 3.369 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CCC[C@@H](C3CC3)C2)c(O)c1 ZINC000809787291 630808698 /nfs/dbraw/zinc/80/86/98/630808698.db2.gz YBYSLAUARFRCMA-CQSZACIVSA-N 1 0 275.392 3.413 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CC[C@@H](C3CCC3)C2)c1O ZINC000840188343 630815117 /nfs/dbraw/zinc/81/51/17/630815117.db2.gz IKZABADFWBJZJZ-CQSZACIVSA-N 1 0 275.392 3.331 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+](C(C)C)[C@@H]2CCOC2)c1O ZINC000812777162 631306867 /nfs/dbraw/zinc/30/68/67/631306867.db2.gz YCZVNJPTLVGKHG-CQSZACIVSA-N 1 0 283.799 3.353 20 10 CGCDRO COc1cccc(C[N@H+](C)Cc2ccc(C)cc2O)c1 ZINC000876534124 634852122 /nfs/dbraw/zinc/85/21/22/634852122.db2.gz ZUOSBDFKHMKYKD-UHFFFAOYSA-N 1 0 271.360 3.341 20 10 CGCDRO Cc1cc(C[N@@H+]2CCOC(C)(C)[C@@H]2C)ccc1N(C)C ZINC000815062304 631710221 /nfs/dbraw/zinc/71/02/21/631710221.db2.gz IGQJMMMAUQCLQT-AWEZNQCLSA-N 1 0 276.424 3.060 20 10 CGCDRO Cc1cc(CN2CCC[C@H]([NH2+]C(C)C)C2)ccc1N(C)C ZINC000815070718 631711479 /nfs/dbraw/zinc/71/14/79/631711479.db2.gz ZZPKHKBTGMRVOO-KRWDZBQOSA-N 1 0 289.467 3.023 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@H](n3cc(C)cn3)C2)cc1 ZINC000815119141 631721768 /nfs/dbraw/zinc/72/17/68/631721768.db2.gz QEONLVHTOSWBTI-SFHVURJKSA-N 1 0 298.434 3.095 20 10 CGCDRO CCc1noc(C)c1C[NH2+]Cc1cc(Cl)ccc1O ZINC000815145696 631729970 /nfs/dbraw/zinc/72/99/70/631729970.db2.gz CALBNLGNKKQLSN-UHFFFAOYSA-N 1 0 280.755 3.194 20 10 CGCDRO OC[C@H](C[NH2+]Cc1cc(Cl)ccc1O)C1CCCCC1 ZINC000815150515 631732052 /nfs/dbraw/zinc/73/20/52/631732052.db2.gz HJNQEZWSSSCGFX-AWEZNQCLSA-N 1 0 297.826 3.324 20 10 CGCDRO C[C@@H]([NH2+]CCC[NH+](C)C)c1cccc(C(F)(F)F)c1[O-] ZINC000815553089 631793820 /nfs/dbraw/zinc/79/38/20/631793820.db2.gz RHQDXRWBAKMFLD-SNVBAGLBSA-N 1 0 290.329 3.013 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCN2CCC(C)CC2)c(O)c1 ZINC000815559854 631795630 /nfs/dbraw/zinc/79/56/30/631795630.db2.gz RLSHYJQMBDFAEU-MRXNPFEDSA-N 1 0 290.451 3.392 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCN2CCC(C)CC2)c(O)c1 ZINC000815559853 631795633 /nfs/dbraw/zinc/79/56/33/631795633.db2.gz RLSHYJQMBDFAEU-INIZCTEOSA-N 1 0 290.451 3.392 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)[C@@]1(C)CCCO1 ZINC000815580954 631799103 /nfs/dbraw/zinc/79/91/03/631799103.db2.gz UJVGDKWUNAIFAF-WMLDXEAASA-N 1 0 276.424 3.108 20 10 CGCDRO CO[C@@H]1C[C@H]([NH2+][C@H](C)c2c(C)cc(C)cc2O)C1(C)C ZINC000815587172 631801523 /nfs/dbraw/zinc/80/15/23/631801523.db2.gz BPLRIHOBFYSFHP-VHDGCEQUSA-N 1 0 277.408 3.473 20 10 CGCDRO COC(C)(C)C[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000815589286 631802296 /nfs/dbraw/zinc/80/22/96/631802296.db2.gz NXZLGRUROUARQI-GFCCVEGCSA-N 1 0 251.370 3.085 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2CCC=CO2)c(O)c1 ZINC000815618450 631806980 /nfs/dbraw/zinc/80/69/80/631806980.db2.gz LWBKDOODMKYJSH-KGLIPLIRSA-N 1 0 261.365 3.352 20 10 CGCDRO C[C@H](F)CC[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000815646088 631811608 /nfs/dbraw/zinc/81/16/08/631811608.db2.gz ZRURQUSTSILXIK-YWVKMMECSA-N 1 0 255.308 3.417 20 10 CGCDRO CC[C@@H]([NH2+][C@H](C)c1cc2c(cc1O)CCCC2)C(C)(C)O ZINC000815652287 631814216 /nfs/dbraw/zinc/81/42/16/631814216.db2.gz WJXSGNUKIXDRMD-SJKOYZFVSA-N 1 0 291.435 3.471 20 10 CGCDRO Oc1c(C[NH2+]CCc2ccccn2)ccc2ccccc21 ZINC000816528533 632004789 /nfs/dbraw/zinc/00/47/89/632004789.db2.gz HGVHNPQLOKXDJC-UHFFFAOYSA-N 1 0 278.355 3.273 20 10 CGCDRO CC[C@@H](C)[C@H](O)C[NH2+]Cc1ccc2ccccc2c1O ZINC000816548712 632007516 /nfs/dbraw/zinc/00/75/16/632007516.db2.gz QBJIJHYIEFOFHS-MLGOLLRUSA-N 1 0 273.376 3.042 20 10 CGCDRO C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1ccc2ccccc2c1O ZINC000816557454 632011887 /nfs/dbraw/zinc/01/18/87/632011887.db2.gz QNNVUIPICHMEHF-UGSOOPFHSA-N 1 0 296.414 3.118 20 10 CGCDRO C[C@@H]1C[C@@H](C[NH2+]Cc2ccc3ccccc3c2O)CCO1 ZINC000816560740 632012770 /nfs/dbraw/zinc/01/27/70/632012770.db2.gz YSLOARXUCXOGRI-KGLIPLIRSA-N 1 0 285.387 3.450 20 10 CGCDRO CO[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc2ccccc2c1O ZINC000816560657 632013225 /nfs/dbraw/zinc/01/32/25/632013225.db2.gz WRNTUCUEUCLYAB-RHSMWYFYSA-N 1 0 285.387 3.450 20 10 CGCDRO CC(C)OCC[NH2+]Cc1ccc2ccccc2c1O ZINC000816569204 632014690 /nfs/dbraw/zinc/01/46/90/632014690.db2.gz CITNLNHDENWADA-UHFFFAOYSA-N 1 0 259.349 3.060 20 10 CGCDRO CC(C)[C@@H]1[N@H+](Cc2cc(F)ccc2O)CC1(C)C ZINC000816625189 632026775 /nfs/dbraw/zinc/02/67/75/632026775.db2.gz VWXLHQUFMIOPKU-AWEZNQCLSA-N 1 0 251.345 3.398 20 10 CGCDRO CC(C)[C@H]1[N@H+](Cc2cc(F)ccc2O)CC1(C)C ZINC000816625190 632026913 /nfs/dbraw/zinc/02/69/13/632026913.db2.gz VWXLHQUFMIOPKU-CQSZACIVSA-N 1 0 251.345 3.398 20 10 CGCDRO Cc1cc(Br)cc(C[N@H+]2C[C@@H](C)[C@H]2C)c1O ZINC000816649142 632037460 /nfs/dbraw/zinc/03/74/60/632037460.db2.gz UXEJVHGBRYHYJZ-NXEZZACHSA-N 1 0 284.197 3.303 20 10 CGCDRO C[C@@H]1CCC[C@@]1(O)C[NH2+]Cc1ccc2ccccc2c1O ZINC000816660521 632039292 /nfs/dbraw/zinc/03/92/92/632039292.db2.gz HJIDZAKLYHEUHC-FZKQIMNGSA-N 1 0 285.387 3.186 20 10 CGCDRO CC(=O)c1cc(F)cc(C[NH+]2CCC(CCF)CC2)c1O ZINC000879207846 635725961 /nfs/dbraw/zinc/72/59/61/635725961.db2.gz MVESFIJYCDAUNB-UHFFFAOYSA-N 1 0 297.345 3.306 20 10 CGCDRO Cc1ccc([C@@H](C)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)o1 ZINC000817938687 632239579 /nfs/dbraw/zinc/23/95/79/632239579.db2.gz PUWDELWFIJWUSM-CJNGLKHVSA-N 1 0 287.407 3.005 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)C1CCCC1 ZINC000817940685 632240177 /nfs/dbraw/zinc/24/01/77/632240177.db2.gz GSCBXJWQNTUWKT-ZWKOTPCHSA-N 1 0 289.467 3.311 20 10 CGCDRO C[C@H]([NH2+]CC1([NH3+])CCCCCC1)c1ccc(F)cc1[O-] ZINC000817942792 632241785 /nfs/dbraw/zinc/24/17/85/632241785.db2.gz DXKAQWWRDAOYEZ-LBPRGKRZSA-N 1 0 280.387 3.234 20 10 CGCDRO CCC(C)(C)[C@H](C)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000817944071 632242561 /nfs/dbraw/zinc/24/25/61/632242561.db2.gz XFNPENDPIQQHAR-BBRMVZONSA-N 1 0 277.456 3.167 20 10 CGCDRO C[C@H](CCc1ccco1)[NH2+]CCc1ccc(N)cc1 ZINC000817955456 632250373 /nfs/dbraw/zinc/25/03/73/632250373.db2.gz BINRGQSJRPPPDM-CYBMUJFWSA-N 1 0 258.365 3.015 20 10 CGCDRO C[C@H]([NH2+]CCc1ccc(N)cc1)c1cc(F)cc(F)c1 ZINC000817955944 632251201 /nfs/dbraw/zinc/25/12/01/632251201.db2.gz LWGJAKRDRXSYHQ-NSHDSACASA-N 1 0 276.330 3.440 20 10 CGCDRO C[C@H]([NH2+]CCc1ccc(N)cc1)c1cccnc1Cl ZINC000817955804 632251249 /nfs/dbraw/zinc/25/12/49/632251249.db2.gz IDWHBMPJTPRCMS-NSHDSACASA-N 1 0 275.783 3.211 20 10 CGCDRO CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817958397 632252965 /nfs/dbraw/zinc/25/29/65/632252965.db2.gz JHJVPYHJBDFQNO-KCJUWKMLSA-N 1 0 291.222 3.333 20 10 CGCDRO C[C@@H](NCC[NH2+]C1CCCCCC1)c1ccc(F)cc1O ZINC000817961109 632257570 /nfs/dbraw/zinc/25/75/70/632257570.db2.gz XHJRFOXMLGFECX-CYBMUJFWSA-N 1 0 294.414 3.494 20 10 CGCDRO C[C@H](C[NH3+])N[C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000817966650 632261243 /nfs/dbraw/zinc/26/12/43/632261243.db2.gz SJRGTCDUKDGFBR-HUUCEWRRSA-N 1 0 275.440 3.065 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1cccc(Cl)c1[O-] ZINC000817970217 632262777 /nfs/dbraw/zinc/26/27/77/632262777.db2.gz OQZANPSQUQPFQM-LEWSCRJBSA-N 1 0 282.815 3.084 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2cc(C)cc(N)c2)c1 ZINC000817982152 632271470 /nfs/dbraw/zinc/27/14/70/632271470.db2.gz YNDGLYDLZILAKG-ZDUSSCGKSA-N 1 0 270.376 3.442 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2C[C@H]2C2CCC2)c1 ZINC000818346516 632312152 /nfs/dbraw/zinc/31/21/52/632312152.db2.gz TVPKHWNQXSKMGT-RBOXIYTFSA-N 1 0 275.392 3.488 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CC[C@H]1O)c1ccc(N2CCCCCC2)cc1 ZINC000818357585 632314527 /nfs/dbraw/zinc/31/45/27/632314527.db2.gz AZPBSBKNCGBPKD-BMGDILEWSA-N 1 0 288.435 3.241 20 10 CGCDRO CC(C)CC[C@H](O)C[NH2+]CCCSc1nccs1 ZINC000819063334 632372864 /nfs/dbraw/zinc/37/28/64/632372864.db2.gz KSVOKHWOPCAABK-LBPRGKRZSA-N 1 0 288.482 3.012 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)C[C@@]2(C)CCCS2)cc1 ZINC000820850772 632686406 /nfs/dbraw/zinc/68/64/06/632686406.db2.gz HDXNEOYHRPYWGS-MRXNPFEDSA-N 1 0 278.465 3.470 20 10 CGCDRO COc1ccc(C[NH2+][C@H](C2CCC2)[C@@H]2CCOC2)cc1C ZINC000865761729 632883249 /nfs/dbraw/zinc/88/32/49/632883249.db2.gz PCFDXZLYSFWUDN-SJLPKXTDSA-N 1 0 289.419 3.298 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]C[C@@H]1CCC12CCOCC2 ZINC000865777689 632887098 /nfs/dbraw/zinc/88/70/98/632887098.db2.gz AKSAYXWMLWCNIN-LBPRGKRZSA-N 1 0 295.810 3.342 20 10 CGCDRO Cc1cc(O)c(C[NH+]2CC(CC(F)F)C2)cc1C ZINC000822520497 632959741 /nfs/dbraw/zinc/95/97/41/632959741.db2.gz DOGPAGKPOOCKSF-UHFFFAOYSA-N 1 0 255.308 3.096 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1CC(C)(C)CC[C@H]1O)c1ccccc1O ZINC000866452368 633142005 /nfs/dbraw/zinc/14/20/05/633142005.db2.gz DRFLUCSCKCTGLW-IIAWOOMASA-N 1 0 277.408 3.373 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2C[C@H]2C(F)(F)F)c1 ZINC000866499258 633161124 /nfs/dbraw/zinc/16/11/24/633161124.db2.gz HLTLUUXHSLEGPK-JMJZKYOTSA-N 1 0 259.271 3.302 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]C[C@@H]1CCC13CCOCC3)CC2 ZINC000866529418 633174154 /nfs/dbraw/zinc/17/41/54/633174154.db2.gz GFKOXVOWWYCHIO-LSDHHAIUSA-N 1 0 287.403 3.176 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCn3nccc32)c1 ZINC000866634347 633223081 /nfs/dbraw/zinc/22/30/81/633223081.db2.gz QWDHXXMRTYRQBH-JSGCOSHPSA-N 1 0 271.364 3.083 20 10 CGCDRO COc1cccc(O)c1C[NH2+]C[C@H]1CCCCC1(F)F ZINC000824544605 633258427 /nfs/dbraw/zinc/25/84/27/633258427.db2.gz ZOEPNAHRYUFGRP-LLVKDONJSA-N 1 0 285.334 3.316 20 10 CGCDRO COC[C@]1(C)CC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000824583188 633261974 /nfs/dbraw/zinc/26/19/74/633261974.db2.gz IXGVOMLWRZHPRZ-GOSISDBHSA-N 1 0 285.387 3.404 20 10 CGCDRO CCC[N@H+](Cc1ccnn1CC1CC1)Cc1ccccc1O ZINC000824650036 633267681 /nfs/dbraw/zinc/26/76/81/633267681.db2.gz LNAHNYAPQSMGBM-UHFFFAOYSA-N 1 0 299.418 3.411 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H]2C2CC2)c1O ZINC000824650443 633268833 /nfs/dbraw/zinc/26/88/33/633268833.db2.gz NSCJCWTZINGULY-CYBMUJFWSA-N 1 0 251.757 3.338 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]C[C@@H]1CCOC2(CCC2)C1 ZINC000824751369 633283322 /nfs/dbraw/zinc/28/33/22/633283322.db2.gz UUJLACCCMHLNLM-GFCCVEGCSA-N 1 0 295.810 3.485 20 10 CGCDRO Cc1cc(O)c(C[N@@H+](C)[C@H](CO)CC(C)(C)C)cc1C ZINC000825040636 633320719 /nfs/dbraw/zinc/32/07/19/633320719.db2.gz QKHSDRHAYJHCEX-HNNXBMFYSA-N 1 0 279.424 3.238 20 10 CGCDRO CCn1cc([C@H](C)[NH2+]Cc2cc(Cl)ccc2O)cn1 ZINC000825130074 633331777 /nfs/dbraw/zinc/33/17/77/633331777.db2.gz LREQCSBTILDJAW-JTQLQIEISA-N 1 0 279.771 3.113 20 10 CGCDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000825215072 633335817 /nfs/dbraw/zinc/33/58/17/633335817.db2.gz FXGZRSPRCOSJPL-OAHLLOKOSA-N 1 0 281.396 3.250 20 10 CGCDRO CC[C@H](C[C@H](C)CO)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825316578 633344971 /nfs/dbraw/zinc/34/49/71/633344971.db2.gz XFNSESVHHYLRGA-GXFFZTMASA-N 1 0 285.815 3.241 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCC=CO2)cc1Cl ZINC000825622470 633368793 /nfs/dbraw/zinc/36/87/93/633368793.db2.gz VPFQOWZDALIROB-GFCCVEGCSA-N 1 0 267.756 3.136 20 10 CGCDRO CCCN(Cc1c(C2CC2)cnn1C)c1ccc(C[NH3+])cc1 ZINC000825709722 633376503 /nfs/dbraw/zinc/37/65/03/633376503.db2.gz ALEJNPDOIIZAJT-UHFFFAOYSA-N 1 0 298.434 3.173 20 10 CGCDRO CCCC[N@H+](Cc1cnn2c1CCC2)Cc1ccccc1O ZINC000825789399 633381960 /nfs/dbraw/zinc/38/19/60/633381960.db2.gz QLMSTUVNVKXLRZ-UHFFFAOYSA-N 1 0 299.418 3.337 20 10 CGCDRO CCC[C@]1([NH2+]Cc2cc(Cl)c(C)cc2O)CCOC1 ZINC000825886423 633386362 /nfs/dbraw/zinc/38/63/62/633386362.db2.gz OVPPPTYHWUYJIG-HNNXBMFYSA-N 1 0 283.799 3.403 20 10 CGCDRO Cc1ncsc1CC[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000826054584 633400460 /nfs/dbraw/zinc/40/04/60/633400460.db2.gz YVGIXRHFGXCIHV-UHFFFAOYSA-N 1 0 296.823 3.451 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCC[C@@H]2CCOC2)cc1Cl ZINC000826096721 633405308 /nfs/dbraw/zinc/40/53/08/633405308.db2.gz ASZSEEYBXUXBJA-GFCCVEGCSA-N 1 0 283.799 3.260 20 10 CGCDRO COCCC1C[NH+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000826898858 633440980 /nfs/dbraw/zinc/44/09/80/633440980.db2.gz AWIZJNOKTVPRNB-UHFFFAOYSA-N 1 0 288.435 3.145 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2CC[C@@H](C)O[C@@H](C)C2)c(Cl)c1 ZINC000827370972 633485760 /nfs/dbraw/zinc/48/57/60/633485760.db2.gz NJNIALIGPZQMMK-NEPJUHHUSA-N 1 0 283.799 3.353 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](C3CCC3)C2)c1 ZINC000827627504 633504201 /nfs/dbraw/zinc/50/42/01/633504201.db2.gz UXUWZESDDYJDRN-CQSZACIVSA-N 1 0 275.392 3.413 20 10 CGCDRO COc1cccc(C[NH2+]Cc2cccc(C)c2O)c1C ZINC000827779448 633516478 /nfs/dbraw/zinc/51/64/78/633516478.db2.gz CTVRBVARYNNTIJ-UHFFFAOYSA-N 1 0 271.360 3.307 20 10 CGCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H]1CC1(C)C ZINC000827941479 633538296 /nfs/dbraw/zinc/53/82/96/633538296.db2.gz FMRROPFFESEDBT-INIZCTEOSA-N 1 0 288.435 3.001 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCOC2)cc1 ZINC000828905254 633668189 /nfs/dbraw/zinc/66/81/89/633668189.db2.gz MEQTXJPVGDSWLB-AEFFLSMTSA-N 1 0 288.435 3.144 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)CC2(OC)CCC2)c1 ZINC000845973107 636126175 /nfs/dbraw/zinc/12/61/75/636126175.db2.gz XKGSFGKIRQCNQI-STQMWFEESA-N 1 0 293.407 3.399 20 10 CGCDRO CC[C@@H](CO)[N@H+](C)Cc1ccc(N2CCCCC2)c(C)c1 ZINC000830351998 633855818 /nfs/dbraw/zinc/85/58/18/633855818.db2.gz GFMBTGGCOOCSOJ-KRWDZBQOSA-N 1 0 290.451 3.188 20 10 CGCDRO CCC[C@H](C)[C@@H](CO)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000846183315 636154604 /nfs/dbraw/zinc/15/46/04/636154604.db2.gz HJANHTOCVPKTDH-COPLHBTASA-N 1 0 285.815 3.493 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]CC2(OC(C)C)CCC2)c1O ZINC000872115369 634040381 /nfs/dbraw/zinc/04/03/81/634040381.db2.gz KAHGJCLQDOPHEW-CYBMUJFWSA-N 1 0 293.407 3.399 20 10 CGCDRO CC[C@@H]1CCCCN1CC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834585105 634190943 /nfs/dbraw/zinc/19/09/43/634190943.db2.gz GAARFGVWNVSWNO-HZPDHXFCSA-N 1 0 288.435 3.234 20 10 CGCDRO Cc1ncc2c(n1)CCC[C@@H]2[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834590846 634192787 /nfs/dbraw/zinc/19/27/87/634192787.db2.gz ZSOLSHREFNDFBW-JKSUJKDBSA-N 1 0 295.386 3.145 20 10 CGCDRO Cc1ccc2[nH]c(C[NH2+][C@@H]3CCc4cccc(O)c43)nc2c1 ZINC000834613115 634198660 /nfs/dbraw/zinc/19/86/60/634198660.db2.gz ZOMAHKZTGHBGDF-CQSZACIVSA-N 1 0 293.370 3.354 20 10 CGCDRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3cccc(O)c31)CO2 ZINC000834680904 634218949 /nfs/dbraw/zinc/21/89/49/634218949.db2.gz OETHCFPNLZBBBU-HUUCEWRRSA-N 1 0 281.355 3.411 20 10 CGCDRO CC1(C)C[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)C(C)(C)O1 ZINC000834756254 634236427 /nfs/dbraw/zinc/23/64/27/634236427.db2.gz LHQODNUEEDTJQT-OCCSQVGLSA-N 1 0 275.392 3.315 20 10 CGCDRO C[C@]1(C[NH2+][C@@H]2CCc3cccc(O)c32)CCO[C@@H]1C1CC1 ZINC000834769164 634238873 /nfs/dbraw/zinc/23/88/73/634238873.db2.gz ITJSHZDNAADFRJ-ZTFGCOKTSA-N 1 0 287.403 3.174 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]CCCC1CCOCC1)CC2 ZINC000834818162 634247248 /nfs/dbraw/zinc/24/72/48/634247248.db2.gz HVMHCYVTHQMBGH-HNNXBMFYSA-N 1 0 275.392 3.176 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCn2ccnc21)c1cc(Cl)ccc1O ZINC000834830643 634250819 /nfs/dbraw/zinc/25/08/19/634250819.db2.gz FZZPUMRHCLPGFH-BXKDBHETSA-N 1 0 277.755 3.038 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCn3ccnc32)c1O ZINC000834832416 634251529 /nfs/dbraw/zinc/25/15/29/634251529.db2.gz OZBJGSUDKXSBMQ-GWCFXTLKSA-N 1 0 291.782 3.346 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]CC2=CCOCC2)c2c1c(F)ccc2O ZINC000834859657 634258039 /nfs/dbraw/zinc/25/80/39/634258039.db2.gz HGOYRKYOSQYBMC-ZWNOBZJWSA-N 1 0 277.339 3.016 20 10 CGCDRO CC[C@](C)(C[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F)OC ZINC000834882197 634264181 /nfs/dbraw/zinc/26/41/81/634264181.db2.gz KZMUYPHVNSUJHK-NSODJVPESA-N 1 0 281.371 3.484 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCC[C@H]1OC)c1ccc(C)cc1O ZINC000834886471 634267445 /nfs/dbraw/zinc/26/74/45/634267445.db2.gz MHWGLXLZDFUCFO-SQWLQELKSA-N 1 0 263.381 3.309 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CC2(CF)CCOCC2)c(O)c1C ZINC000834886348 634267452 /nfs/dbraw/zinc/26/74/52/634267452.db2.gz RTDXYXDNIBCVGY-CQSZACIVSA-N 1 0 295.398 3.426 20 10 CGCDRO Cc1cc(O)c(C[NH2+]Cc2ncc(Cl)s2)cc1C ZINC000873164834 634268030 /nfs/dbraw/zinc/26/80/30/634268030.db2.gz DUZRCYJZKATQAE-UHFFFAOYSA-N 1 0 282.796 3.409 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)c1ccc(N2CCCCC2)cc1)[C@@H](C)O ZINC000834887718 634269225 /nfs/dbraw/zinc/26/92/25/634269225.db2.gz LLRFHKNJMACJFV-RKVPGOIHSA-N 1 0 290.451 3.487 20 10 CGCDRO CCn1ccnc1[C@@H](C)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000834892689 634271423 /nfs/dbraw/zinc/27/14/23/634271423.db2.gz CMKRGFBWDPNQGO-WDEREUQCSA-N 1 0 277.343 3.160 20 10 CGCDRO CCc1ncc(C[NH2+][C@@H](C)c2cc(C)ccc2O)o1 ZINC000834898312 634274501 /nfs/dbraw/zinc/27/45/01/634274501.db2.gz BWYFDSMXKDWFNQ-NSHDSACASA-N 1 0 260.337 3.102 20 10 CGCDRO CCc1ncc(C[NH2+][C@H](CC)c2ccc(C)cc2O)o1 ZINC000834898841 634275705 /nfs/dbraw/zinc/27/57/05/634275705.db2.gz HFXHDBGZCPCXAK-CQSZACIVSA-N 1 0 274.364 3.492 20 10 CGCDRO [NH3+][C@@H]1C[C@H]1c1ccc(NCc2cccc(Cl)c2O)cc1 ZINC000873214576 634286198 /nfs/dbraw/zinc/28/61/98/634286198.db2.gz HRYIWTWQYSSORD-DZGCQCFKSA-N 1 0 288.778 3.472 20 10 CGCDRO c1cc(N2CCCCC2)ccc1CN[C@]12CCC[C@H]1[NH2+]CC2 ZINC000873230136 634293516 /nfs/dbraw/zinc/29/35/16/634293516.db2.gz MPQWTEBTMUVEQI-MOPGFXCFSA-N 1 0 299.462 3.051 20 10 CGCDRO CCOCCCC[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835034543 634327371 /nfs/dbraw/zinc/32/73/71/634327371.db2.gz BEIOCSSQTAHDHC-FPLPWBNLSA-N 1 0 276.424 3.172 20 10 CGCDRO CSC(C)(C)C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835039029 634328238 /nfs/dbraw/zinc/32/82/38/634328238.db2.gz AHUFYPXTZUJPQG-SREVYHEPSA-N 1 0 278.465 3.497 20 10 CGCDRO CCC(CC)(CO)C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835042628 634330853 /nfs/dbraw/zinc/33/08/53/634330853.db2.gz WLFVOEDAKMJGBS-BQYQJAHWSA-N 1 0 290.451 3.154 20 10 CGCDRO Cc1cccc(CC[NH2+]C/C=C/c2ccc(N(C)C)cc2)n1 ZINC000835051743 634336947 /nfs/dbraw/zinc/33/69/47/634336947.db2.gz HPNNNWDJNOEOFP-FNORWQNLSA-N 1 0 295.430 3.302 20 10 CGCDRO CCn1cc([C@H](C)[NH2+]C/C=C/c2ccc(N(C)C)cc2)cn1 ZINC000835055558 634339364 /nfs/dbraw/zinc/33/93/64/634339364.db2.gz WHQGXZOGZHDINE-LFAOLKIESA-N 1 0 298.434 3.333 20 10 CGCDRO CCC[N@@H+](Cc1ccccc1O)CC(OCC)OCC ZINC000124490110 634342369 /nfs/dbraw/zinc/34/23/69/634342369.db2.gz LIOPVQKFNBYVRT-UHFFFAOYSA-N 1 0 281.396 3.003 20 10 CGCDRO COc1cc(O)c(C[NH2+][C@]2(C)CCCC[C@@H]2C)cc1OC ZINC000835072393 634345505 /nfs/dbraw/zinc/34/55/05/634345505.db2.gz FBOFJRFIGVMXOY-YVEFUNNKSA-N 1 0 293.407 3.468 20 10 CGCDRO C[C@H]1CC[C@H](C[NH2+]Cc2ccc3ccccc3c2O)O1 ZINC000835087996 634350821 /nfs/dbraw/zinc/35/08/21/634350821.db2.gz SGKGZWLURHQHPB-SWLSCSKDSA-N 1 0 271.360 3.203 20 10 CGCDRO Cc1ccc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c(O)c1 ZINC000876762586 634895735 /nfs/dbraw/zinc/89/57/35/634895735.db2.gz DGGOHRZYGDAKOF-SJORKVTESA-N 1 0 288.435 3.148 20 10 CGCDRO Cc1cccc(O)c1CNc1ccc(C[NH+](C)C)cc1 ZINC000876820365 634906992 /nfs/dbraw/zinc/90/69/92/634906992.db2.gz UFKPVEMTFHYCQZ-UHFFFAOYSA-N 1 0 270.376 3.374 20 10 CGCDRO C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000876897196 634923569 /nfs/dbraw/zinc/92/35/69/634923569.db2.gz QXGVTQMLPOOSAP-LBPRGKRZSA-N 1 0 298.377 3.025 20 10 CGCDRO Cc1csc([C@H](C)[NH2+]Cc2ccc(C)cc2O)n1 ZINC000877002641 634947352 /nfs/dbraw/zinc/94/73/52/634947352.db2.gz BAQYLRUOZPASQJ-NSHDSACASA-N 1 0 262.378 3.316 20 10 CGCDRO COCc1cc(C[NH2+]Cc2ccc(C)cc2O)ccc1F ZINC000877010477 634949311 /nfs/dbraw/zinc/94/93/11/634949311.db2.gz ZZJUNCQNLZBGPD-UHFFFAOYSA-N 1 0 289.350 3.276 20 10 CGCDRO Cc1cccc(O)c1C[NH2+][C@H](C)Cc1cccc(O)c1 ZINC000877016659 634951551 /nfs/dbraw/zinc/95/15/51/634951551.db2.gz BEOAUGKTTYRANF-CYBMUJFWSA-N 1 0 271.360 3.127 20 10 CGCDRO CS[C@H]1CCC[C@H]([NH2+]Cc2c(C)cccc2O)C1 ZINC000877035181 634957790 /nfs/dbraw/zinc/95/77/90/634957790.db2.gz CZVXNLKSJNCUDH-STQMWFEESA-N 1 0 265.422 3.464 20 10 CGCDRO CS[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C)cc2O)C1 ZINC000877037315 634959303 /nfs/dbraw/zinc/95/93/03/634959303.db2.gz ZUXJXKUCYFHZCG-ZIAGYGMSSA-N 1 0 265.422 3.464 20 10 CGCDRO Cc1ccc(C[NH2+][C@H](C)[C@H](O)c2cccc(F)c2)c(O)c1 ZINC000877082748 634978194 /nfs/dbraw/zinc/97/81/94/634978194.db2.gz BUIZCBCNZWVCLM-PXAZEXFGSA-N 1 0 289.350 3.051 20 10 CGCDRO Cc1ccc(C[NH2+][C@H](c2cccnc2)C2CC2)c(O)c1 ZINC000877124679 634992651 /nfs/dbraw/zinc/99/26/51/634992651.db2.gz ZBVZXVWJKCMVAS-KRWDZBQOSA-N 1 0 268.360 3.337 20 10 CGCDRO Cc1cccc(O)c1C[NH2+][C@H](C)C[C@@H](O)c1ccccc1 ZINC000877128028 634993536 /nfs/dbraw/zinc/99/35/36/634993536.db2.gz POKNAABLAHSTRY-RDTXWAMCSA-N 1 0 285.387 3.302 20 10 CGCDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCc2cnn(C(C)C)c2C1 ZINC000877472132 635049990 /nfs/dbraw/zinc/04/99/90/635049990.db2.gz KVAVEXSCIZYJDR-OAHLLOKOSA-N 1 0 299.418 3.125 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccn(C)n2)c(O)c1C ZINC000840816727 635057858 /nfs/dbraw/zinc/05/78/58/635057858.db2.gz OWFAINAKSXLVDU-CHWSQXEVSA-N 1 0 273.380 3.154 20 10 CGCDRO COCC[C@H](C)C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000840835738 635061033 /nfs/dbraw/zinc/06/10/33/635061033.db2.gz PDZOFLICKUYBID-LOWVWBTDSA-N 1 0 281.371 3.342 20 10 CGCDRO COCC[C@H](C)C[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000840836483 635061778 /nfs/dbraw/zinc/06/17/78/635061778.db2.gz YQGAYXQDFWORIG-STQMWFEESA-N 1 0 251.370 3.024 20 10 CGCDRO CCn1ccc(C[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)n1 ZINC000840840162 635062532 /nfs/dbraw/zinc/06/25/32/635062532.db2.gz GNSMIUFAXYMSGA-CYBMUJFWSA-N 1 0 299.418 3.338 20 10 CGCDRO Cc1cccc(O)c1C[NH+]1CCC2(CCOCC2)CC1 ZINC000877508482 635065369 /nfs/dbraw/zinc/06/53/69/635065369.db2.gz ZDFPUYDMFNYRLQ-UHFFFAOYSA-N 1 0 275.392 3.093 20 10 CGCDRO CO[C@@](C)([C@H](C)[NH2+][C@@H]1CCc2cccc(O)c21)C1CC1 ZINC000840859528 635067302 /nfs/dbraw/zinc/06/73/02/635067302.db2.gz NCPMXOPEMUBVJX-KHIZAZIESA-N 1 0 275.392 3.173 20 10 CGCDRO C[C@@H]([NH2+]CC(C)(C)OCC1CC1)c1cc(F)ccc1O ZINC000840876859 635071045 /nfs/dbraw/zinc/07/10/45/635071045.db2.gz PPEYJTTYMPLMST-LLVKDONJSA-N 1 0 281.371 3.387 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)c1cc(C)ccc1O)[C@H](O)C(C)C ZINC000840883072 635072951 /nfs/dbraw/zinc/07/29/51/635072951.db2.gz RSLCYJVRPYLRBC-DUVNUKRYSA-N 1 0 265.397 3.147 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)c1cc(Cl)ccc1O)[C@@H](O)C(C)C ZINC000840882122 635073301 /nfs/dbraw/zinc/07/33/01/635073301.db2.gz MKWAMVRJFRQNTP-DGFSRKRXSA-N 1 0 285.815 3.492 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000877529148 635073386 /nfs/dbraw/zinc/07/33/86/635073386.db2.gz UOHDLYFPQQLSNO-JKSUJKDBSA-N 1 0 289.419 3.339 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c(O)c1 ZINC000877529289 635073587 /nfs/dbraw/zinc/07/35/87/635073587.db2.gz YJJBGQDJHYYUOU-HOTGVXAUSA-N 1 0 289.419 3.339 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCC[C@@H](CO)C2)c(O)c1 ZINC000840893616 635077036 /nfs/dbraw/zinc/07/70/36/635077036.db2.gz JJYVAUJXAJKMSH-RRFJBIMHSA-N 1 0 277.408 3.211 20 10 CGCDRO CC(C)(C[NH2+][C@H]1CCc2cccc(O)c21)c1cccnc1 ZINC000840892035 635077239 /nfs/dbraw/zinc/07/72/39/635077239.db2.gz MNIDEVRGHJYHLG-HNNXBMFYSA-N 1 0 282.387 3.342 20 10 CGCDRO Cc1cc(O)c(C[NH+]2C3CCC2CC3)c(Cl)c1 ZINC000840909580 635077980 /nfs/dbraw/zinc/07/79/80/635077980.db2.gz JILDZGRFACTDPX-UHFFFAOYSA-N 1 0 251.757 3.481 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCCC(C)(C)CO)c(Cl)c1 ZINC000840898259 635078006 /nfs/dbraw/zinc/07/80/06/635078006.db2.gz CFCKNDBATHUNQQ-UHFFFAOYSA-N 1 0 285.815 3.242 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C2CCC(C)(O)CC2)c(Cl)c1 ZINC000840903811 635079064 /nfs/dbraw/zinc/07/90/64/635079064.db2.gz QFBXFABZZPEBAR-UHFFFAOYSA-N 1 0 283.799 3.137 20 10 CGCDRO CCO[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000840907305 635080052 /nfs/dbraw/zinc/08/00/52/635080052.db2.gz CKLJZUOHUOWGJS-QGZVFWFLSA-N 1 0 276.424 3.062 20 10 CGCDRO CC[N@@H+](Cc1c(O)cc(C)cc1Cl)C[C@@H]1CCOC1 ZINC000840909446 635080422 /nfs/dbraw/zinc/08/04/22/635080422.db2.gz CAWIGKXCZUNKQL-LBPRGKRZSA-N 1 0 283.799 3.212 20 10 CGCDRO Cc1cnccc1CC[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840935759 635084942 /nfs/dbraw/zinc/08/49/42/635084942.db2.gz CRVOCCCMQSPMDB-UHFFFAOYSA-N 1 0 283.419 3.097 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CC1(CCO)CCCC1 ZINC000840935775 635084996 /nfs/dbraw/zinc/08/49/96/635084996.db2.gz XXFABSUPUCNKGP-UHFFFAOYSA-N 1 0 290.451 3.093 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCc2ncsc2C1 ZINC000840940302 635086948 /nfs/dbraw/zinc/08/69/48/635086948.db2.gz WYZBZNDTAUNGFT-UHFFFAOYSA-N 1 0 287.432 3.076 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCOC[C@H]2C)c(Cl)c1 ZINC000840946977 635089047 /nfs/dbraw/zinc/08/90/47/635089047.db2.gz IUIRMNCEKUODQO-NEPJUHHUSA-N 1 0 283.799 3.116 20 10 CGCDRO CCc1noc(C)c1C[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840948211 635089547 /nfs/dbraw/zinc/08/95/47/635089547.db2.gz CBWDKDVRAHIXJF-UHFFFAOYSA-N 1 0 287.407 3.210 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@H+](C)C1CCC(CO)CC1 ZINC000840945312 635089672 /nfs/dbraw/zinc/08/96/72/635089672.db2.gz IOHFHGXHJORRMI-UHFFFAOYSA-N 1 0 290.451 3.044 20 10 CGCDRO COc1cccc(O)c1C[NH2+]C[C@H]1CCC[C@@H]1C1CC1 ZINC000840955313 635092241 /nfs/dbraw/zinc/09/22/41/635092241.db2.gz UJFCPXXYPQKANH-ZIAGYGMSSA-N 1 0 275.392 3.317 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]C[C@H]1CCC=CO1 ZINC000840975098 635098074 /nfs/dbraw/zinc/09/80/74/635098074.db2.gz DCSWIXBLUKIICC-MAUKXSAKSA-N 1 0 288.435 3.274 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]CC(C)(C)c1cccnc1 ZINC000877591421 635104917 /nfs/dbraw/zinc/10/49/17/635104917.db2.gz DUOAIBLVJJBMEE-UHFFFAOYSA-N 1 0 270.376 3.163 20 10 CGCDRO Cc1ccccc1C[C@H](C)[NH2+]CCc1ccc(N)cc1 ZINC000841037249 635111372 /nfs/dbraw/zinc/11/13/72/635111372.db2.gz ZPDHLWXZHIVOPS-HNNXBMFYSA-N 1 0 268.404 3.341 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H](c2ccccc2F)[C@H](C)O)c(O)c1 ZINC000877610927 635111707 /nfs/dbraw/zinc/11/17/07/635111707.db2.gz MDNRHAZPYDBZRB-YVEFUNNKSA-N 1 0 289.350 3.051 20 10 CGCDRO Cc1ccc(C[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)c(C)c1 ZINC000841040786 635112565 /nfs/dbraw/zinc/11/25/65/635112565.db2.gz TUCOGIHNRKWMFR-IBGZPJMESA-N 1 0 297.446 3.159 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]C[C@@H]1CC1(Cl)Cl ZINC000877612254 635112906 /nfs/dbraw/zinc/11/29/06/635112906.db2.gz GEINOJMGFRWIPQ-QMMMGPOBSA-N 1 0 280.582 3.329 20 10 CGCDRO Cc1cccc(C)c1C[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000841044940 635113398 /nfs/dbraw/zinc/11/33/98/635113398.db2.gz GIIOSLZPINKVCP-LJQANCHMSA-N 1 0 297.446 3.159 20 10 CGCDRO C[NH2+]Cc1cccc(NCc2ccc(N(C)C)cc2C)c1 ZINC000841043100 635113420 /nfs/dbraw/zinc/11/34/20/635113420.db2.gz PFBOYSXUNNKDIW-UHFFFAOYSA-N 1 0 283.419 3.393 20 10 CGCDRO CC[NH2+]Cc1cccc(NCc2cccc(C)c2O)c1 ZINC000841043762 635113486 /nfs/dbraw/zinc/11/34/86/635113486.db2.gz SWGLTBFFKWYXTG-UHFFFAOYSA-N 1 0 270.376 3.422 20 10 CGCDRO CN(C)c1ccc(C[NH2+]Cc2ccc3c(c2)CCCN3)cc1 ZINC000841070020 635117748 /nfs/dbraw/zinc/11/77/48/635117748.db2.gz JCAYGBWECLKCDF-UHFFFAOYSA-N 1 0 295.430 3.401 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]Cc1cccc2c1CCCN2 ZINC000841084328 635119458 /nfs/dbraw/zinc/11/94/58/635119458.db2.gz XQDNMCSYVYQNFN-UHFFFAOYSA-N 1 0 286.350 3.179 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000841088531 635119499 /nfs/dbraw/zinc/11/94/99/635119499.db2.gz YZYHVKYWKXSMMA-DOMZBBRYSA-N 1 0 294.826 3.010 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)c(O)c1 ZINC000877633831 635123593 /nfs/dbraw/zinc/12/35/93/635123593.db2.gz RZBXVJUYQNJGAH-SJLPKXTDSA-N 1 0 289.419 3.482 20 10 CGCDRO CCSC1(C[NH2+]Cc2ccc(C)cc2O)CC1 ZINC000877636149 635125600 /nfs/dbraw/zinc/12/56/00/635125600.db2.gz OJNAELFFJBJHMW-UHFFFAOYSA-N 1 0 251.395 3.076 20 10 CGCDRO Cc1ccc(C[N@@H+]2CC[C@H](c3ccc(O)cc3)C2)c(O)c1 ZINC000877660103 635135182 /nfs/dbraw/zinc/13/51/82/635135182.db2.gz JIPQHBDINKTJMX-HNNXBMFYSA-N 1 0 283.371 3.396 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@H](c2ccc(O)cc2)C1 ZINC000877660102 635135678 /nfs/dbraw/zinc/13/56/78/635135678.db2.gz JELCHWBVVHNSAX-OAHLLOKOSA-N 1 0 283.371 3.396 20 10 CGCDRO COc1cccc(C[C@@H](C)[NH2+][C@@H](C)c2ccccc2O)n1 ZINC000877757376 635185349 /nfs/dbraw/zinc/18/53/49/635185349.db2.gz UWJLXRZQMZACKY-OLZOCXBDSA-N 1 0 286.375 3.078 20 10 CGCDRO CC[C@@H]1C[C@@H](C[NH2+][C@H](C)c2ccccc2O)CCO1 ZINC000877756298 635185506 /nfs/dbraw/zinc/18/55/06/635185506.db2.gz FTWKMOUGNKCIDA-HZSPNIEDSA-N 1 0 263.381 3.248 20 10 CGCDRO CCO[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2O)C12CCC2 ZINC000877756248 635186109 /nfs/dbraw/zinc/18/61/09/635186109.db2.gz AZCSLHLJEZOWMU-KCXAZCMYSA-N 1 0 275.392 3.391 20 10 CGCDRO C[C@H]([NH2+][C@H]1CC[C@H](C)SC1)c1ccccc1O ZINC000877758054 635187183 /nfs/dbraw/zinc/18/71/83/635187183.db2.gz HCTZFSABFBWDAJ-SRVKXCTJSA-N 1 0 251.395 3.327 20 10 CGCDRO C[C@H]([NH2+]Cc1cc(F)ccc1N(C)C)c1ccccc1O ZINC000877758109 635187714 /nfs/dbraw/zinc/18/77/14/635187714.db2.gz JDYADWGFBFSXLU-LBPRGKRZSA-N 1 0 288.366 3.448 20 10 CGCDRO CC(C)(O)[C@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000877797004 635208287 /nfs/dbraw/zinc/20/82/87/635208287.db2.gz ONSUJMBWSSRLGZ-NSHDSACASA-N 1 0 283.799 3.029 20 10 CGCDRO Cc1csc([C@@H]2CC[N@H+](Cc3ccc(C)cc3O)C2)n1 ZINC000877814640 635222521 /nfs/dbraw/zinc/22/25/21/635222521.db2.gz VUXKPZSMHLRCEF-CQSZACIVSA-N 1 0 288.416 3.455 20 10 CGCDRO C[C@H]([NH2+]Cc1cccc(CO)c1)c1ccc(Cl)cc1O ZINC000841746862 635223727 /nfs/dbraw/zinc/22/37/27/635223727.db2.gz LQPORASFCPNCAC-NSHDSACASA-N 1 0 291.778 3.389 20 10 CGCDRO CO[C@@H](C[NH2+][C@@H](C)c1ccc(C)cc1O)CC(C)C ZINC000841755661 635229905 /nfs/dbraw/zinc/22/99/05/635229905.db2.gz KYCSBULAKHFACB-UONOGXRCSA-N 1 0 265.397 3.412 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1O)[C@H](O)C(F)F ZINC000841758970 635230956 /nfs/dbraw/zinc/23/09/56/635230956.db2.gz WIYIDZPNDJRIFV-JWYUURKGSA-N 1 0 293.741 3.101 20 10 CGCDRO CO[C@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)CC(C)C ZINC000841888799 635247843 /nfs/dbraw/zinc/24/78/43/635247843.db2.gz RCWQDMLJXBUMPY-AWEZNQCLSA-N 1 0 282.403 3.042 20 10 CGCDRO Cc1ccc(O)c(CN(C)C(C)(C)C[NH+]2CCCC2)c1 ZINC000841893238 635249317 /nfs/dbraw/zinc/24/93/17/635249317.db2.gz HIBJOJZZOHQWAF-UHFFFAOYSA-N 1 0 276.424 3.007 20 10 CGCDRO CCCC[C@](C)(CO)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000842750243 635459349 /nfs/dbraw/zinc/45/93/49/635459349.db2.gz XZRYDWFVFBXTTG-LKGOPFMKSA-N 1 0 290.451 3.297 20 10 CGCDRO CC[C@H](C)C[C@H](CO)[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000842919988 635512168 /nfs/dbraw/zinc/51/21/68/635512168.db2.gz XHHOMAGFLSRRIL-SFTQSGBHSA-N 1 0 295.398 3.466 20 10 CGCDRO C[C@]1(C[N@H+](Cc2ccccc2O)C2CCCC2)CC[NH2+]C1 ZINC000843064877 635555150 /nfs/dbraw/zinc/55/51/50/635555150.db2.gz ZPTPJXJNXROANO-SFHVURJKSA-N 1 0 288.435 3.136 20 10 CGCDRO Cc1cc(O)c(CN2CCc3ccccc3[C@H]2C[NH3+])cc1C ZINC000843129895 635563640 /nfs/dbraw/zinc/56/36/40/635563640.db2.gz SYFQPFWHEUBXPQ-GOSISDBHSA-N 1 0 296.414 3.067 20 10 CGCDRO Cc1cccc(C[N@@H+]2CC[C@@H](c3cccnc3)C2)c1O ZINC000843419995 635664841 /nfs/dbraw/zinc/66/48/41/635664841.db2.gz XWNDEXOKXAMIRC-OAHLLOKOSA-N 1 0 268.360 3.085 20 10 CGCDRO Oc1c(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)ccc2ccccc21 ZINC000843420661 635665569 /nfs/dbraw/zinc/66/55/69/635665569.db2.gz BSRNALFVSUPOKT-PBHICJAKSA-N 1 0 283.371 3.156 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H](CCO)c2ccccc2F)c1O ZINC000843429372 635673569 /nfs/dbraw/zinc/67/35/69/635673569.db2.gz BMZXIAASSKVPSH-INIZCTEOSA-N 1 0 289.350 3.053 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](c3nccs3)C2)cc1 ZINC000880321374 635974921 /nfs/dbraw/zinc/97/49/21/635974921.db2.gz SHJNXFHTYIYIEC-AWEZNQCLSA-N 1 0 287.432 3.199 20 10 CGCDRO C[NH2+]Cc1ccccc1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000844904401 635980936 /nfs/dbraw/zinc/98/09/36/635980936.db2.gz KTIPSKYOGRYKMK-UHFFFAOYSA-N 1 0 290.794 3.055 20 10 CGCDRO COc1ccc(O)c(C[NH2+]CC[C@]2(C)C[C@]2(F)Cl)c1 ZINC000846035602 636134088 /nfs/dbraw/zinc/13/40/88/636134088.db2.gz HNVXKUYDEBGVRI-ZIAGYGMSSA-N 1 0 287.762 3.195 20 10 CGCDRO CC[N@H+](C/C=C\c1ccc(N(C)C)cc1)[C@@H]1CCCOC1 ZINC000846052636 636139137 /nfs/dbraw/zinc/13/91/37/636139137.db2.gz PLPWBGVTYOJTTR-LZCIBIBXSA-N 1 0 288.435 3.267 20 10 CGCDRO CC[C@H]1C[C@H](C[NH2+]Cc2cc(Cl)ccc2O)CCO1 ZINC000846054793 636139154 /nfs/dbraw/zinc/13/91/54/636139154.db2.gz GDLHRBHDWIFRJP-RISCZKNCSA-N 1 0 283.799 3.340 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2C[C@H](C)OCC23CCC3)cc1C ZINC000846067873 636141272 /nfs/dbraw/zinc/14/12/72/636141272.db2.gz ZPFXGKZFVOWEOX-AWEZNQCLSA-N 1 0 275.392 3.152 20 10 CGCDRO C[C@H](CCO)[N@H+](C)Cc1cc(-c2ccccc2)ccc1O ZINC000846112656 636145539 /nfs/dbraw/zinc/14/55/39/636145539.db2.gz WEXFOWTZRJPKHQ-CQSZACIVSA-N 1 0 285.387 3.262 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]CCc2cccc(F)c2)c1O ZINC000846136586 636148751 /nfs/dbraw/zinc/14/87/51/636148751.db2.gz LXOMCZNWJGCXBM-LBPRGKRZSA-N 1 0 289.350 3.433 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]Cc2ccccc2F)c1O ZINC000846137421 636148918 /nfs/dbraw/zinc/14/89/18/636148918.db2.gz PHFIBRCOWBRUOB-NSHDSACASA-N 1 0 275.323 3.391 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@H]2C[C@@](C)(OC)C2(C)C)c1O ZINC000846143476 636149437 /nfs/dbraw/zinc/14/94/37/636149437.db2.gz CBZJEBUDHFDAGP-PZSREKOKSA-N 1 0 293.407 3.255 20 10 CGCDRO CCc1nc(C)c(C[NH2+][C@H](C)c2cccc(OC)c2O)o1 ZINC000846170453 636152905 /nfs/dbraw/zinc/15/29/05/636152905.db2.gz NZTSYOCEBKRZBU-SNVBAGLBSA-N 1 0 290.363 3.110 20 10 CGCDRO CCCN(CC)C[C@@H](C)[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846170472 636152928 /nfs/dbraw/zinc/15/29/28/636152928.db2.gz LJDYDIXWUFNVNO-KGLIPLIRSA-N 1 0 294.439 3.172 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](C)CC(F)F)c1O ZINC000846175141 636153621 /nfs/dbraw/zinc/15/36/21/636153621.db2.gz XDAJOZVWPFPNJY-VHSXEESVSA-N 1 0 273.323 3.343 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@H]2C[C@@H](OC(C)(C)C)C2)c1O ZINC000846175133 636153800 /nfs/dbraw/zinc/15/38/00/636153800.db2.gz WXUQVYKAIMZEFZ-RWMBFGLXSA-N 1 0 293.407 3.398 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]CCC2(OC)CCC2)c1O ZINC000846172162 636154167 /nfs/dbraw/zinc/15/41/67/636154167.db2.gz WZEXCRLJXHWWKK-LBPRGKRZSA-N 1 0 279.380 3.011 20 10 CGCDRO CC(C)Oc1ccc(N(C)CC2CC[NH+](C)CC2)cc1 ZINC000846749700 636223256 /nfs/dbraw/zinc/22/32/56/636223256.db2.gz FXYSEAWAVCIUBT-UHFFFAOYSA-N 1 0 276.424 3.252 20 10 CGCDRO CC(C)CC[N@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000130718291 636501205 /nfs/dbraw/zinc/50/12/05/636501205.db2.gz ZFSYFWNOGSGZNM-UHFFFAOYSA-N 1 0 294.414 3.140 20 10 CGCDRO CCOc1ccc(O)c(C[N@H+](C)CCC(C)C)c1 ZINC000130725569 636503561 /nfs/dbraw/zinc/50/35/61/636503561.db2.gz JJKGBJNUORYARB-UHFFFAOYSA-N 1 0 251.370 3.269 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCCn3ccnc32)cc1 ZINC000848521371 636586872 /nfs/dbraw/zinc/58/68/72/636586872.db2.gz NKSMDDXHBOHPGS-QGZVFWFLSA-N 1 0 298.434 3.354 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)c1cc(OC)ccc1O)[C@H]1CCCCO1 ZINC000848567060 636610047 /nfs/dbraw/zinc/61/00/47/636610047.db2.gz AUEYPNHTKCGEIO-YLQAJVPDSA-N 1 0 293.407 3.399 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCCN3CCCC[C@@H]23)cc1C ZINC000848575454 636613477 /nfs/dbraw/zinc/61/34/77/636613477.db2.gz QVYVPUHLUBRACU-SJORKVTESA-N 1 0 288.435 3.116 20 10 CGCDRO CCC[N@H+](Cc1cnc(Cl)n1C)Cc1ccccc1O ZINC000848883253 636672138 /nfs/dbraw/zinc/67/21/38/636672138.db2.gz BSOIIQLMODUDIC-UHFFFAOYSA-N 1 0 293.798 3.191 20 10 CGCDRO CCc1cccc(C[NH2+][C@H](C)COCC(F)(F)F)c1O ZINC000848895665 636679094 /nfs/dbraw/zinc/67/90/94/636679094.db2.gz VIMXOERKKCIBLD-SNVBAGLBSA-N 1 0 291.313 3.012 20 10 CGCDRO CCc1cccc(C[NH2+][C@H]2CCc3c2cccc3O)c1O ZINC000848894653 636679113 /nfs/dbraw/zinc/67/91/13/636679113.db2.gz FZNIRSUTCLPJOW-INIZCTEOSA-N 1 0 283.371 3.437 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H]2CCO[C@@H](C(C)C)C2)c1O ZINC000848898991 636680465 /nfs/dbraw/zinc/68/04/65/636680465.db2.gz BRXCVIYZDCRLIV-HZPDHXFCSA-N 1 0 277.408 3.248 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H](C)C[C@H](O)c2ccco2)c1O ZINC000848900732 636681564 /nfs/dbraw/zinc/68/15/64/636681564.db2.gz PRAMOOCJTHQXGG-WFASDCNBSA-N 1 0 289.375 3.149 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@@H](O)CCc2ccccc2)c1O ZINC000848902086 636682942 /nfs/dbraw/zinc/68/29/42/636682942.db2.gz JVKQHAPFCCYXLA-SFHVURJKSA-N 1 0 299.414 3.038 20 10 CGCDRO CCc1cccc(C[NH2+][C@]2(C)CCO[C@@H]2C2CC2)c1O ZINC000848902259 636683118 /nfs/dbraw/zinc/68/31/18/636683118.db2.gz MJTFRHCCLFLAAU-IAGOWNOFSA-N 1 0 275.392 3.002 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@@]2(C)CCO[C@H]2C2CC2)c1O ZINC000848903835 636683872 /nfs/dbraw/zinc/68/38/72/636683872.db2.gz ZYVFGSNQJQIOAK-ZWKOTPCHSA-N 1 0 289.419 3.249 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@@H]2CCO[C@H](C(C)C)C2)c1O ZINC000848915414 636688415 /nfs/dbraw/zinc/68/84/15/636688415.db2.gz HLLXRNYNYZIIMT-PBHICJAKSA-N 1 0 291.435 3.495 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCSC[C@@H]2C2CC2)c1O ZINC000848917018 636690261 /nfs/dbraw/zinc/69/02/61/636690261.db2.gz ZMCLQNAZYXZGCP-OAHLLOKOSA-N 1 0 277.433 3.282 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H](C2CC2)[C@@H]2CCCCO2)c1O ZINC000848922283 636692453 /nfs/dbraw/zinc/69/24/53/636692453.db2.gz PTHLSZXVQDKKDF-IRXDYDNUSA-N 1 0 289.419 3.392 20 10 CGCDRO CCN(CC)c1ccc(C[NH+]2CC3(CC3(F)F)C2)cc1 ZINC000848922693 636693565 /nfs/dbraw/zinc/69/35/65/636693565.db2.gz YCOCZMRWBLERPI-UHFFFAOYSA-N 1 0 280.362 3.374 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)c1cccc(OC)c1O)[C@@H]1CCCOC1 ZINC000883353299 636694585 /nfs/dbraw/zinc/69/45/85/636694585.db2.gz RSLMTZAUWVGEMM-GUTXKFCHSA-N 1 0 293.407 3.257 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H](CC)[C@@H]2CCCCO2)c1O ZINC000848927279 636698670 /nfs/dbraw/zinc/69/86/70/636698670.db2.gz DTBXDGQNHIEHEZ-HOTGVXAUSA-N 1 0 277.408 3.392 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCC3(CCC3)O2)cc1C ZINC000883363325 636705254 /nfs/dbraw/zinc/70/52/54/636705254.db2.gz AIWAKFUBRDDLHM-HNNXBMFYSA-N 1 0 275.392 3.200 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+][C@@H]1CCC[C@]13CCCO3)CC2 ZINC000883367281 636709132 /nfs/dbraw/zinc/70/91/32/636709132.db2.gz LVNRUCMYMUVXIO-UNEWFSDZSA-N 1 0 273.376 3.071 20 10 CGCDRO C[C@@H]([NH2+]C1CCC2(COC2)CC1)c1ccc(N(C)C)cc1 ZINC000883378591 636720994 /nfs/dbraw/zinc/72/09/94/636720994.db2.gz RNAHTCMVNBESCC-CQSZACIVSA-N 1 0 288.435 3.362 20 10 CGCDRO CCc1ccc(NC(=[NH2+])NCc2ccc(OC)cc2O)cc1 ZINC000849094598 636744355 /nfs/dbraw/zinc/74/43/55/636744355.db2.gz CQNOVSNQLIOKGG-UHFFFAOYSA-N 1 0 299.374 3.100 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CC2(O)CCC(C)CC2)c(O)c1 ZINC000087044853 636790164 /nfs/dbraw/zinc/79/01/64/636790164.db2.gz ZXBRITBHZINJDH-TVIZTDCDSA-N 1 0 277.408 3.292 20 10 CGCDRO COc1cc(CNc2[nH+]ccn2C)c(O)c(C(C)(C)C)c1 ZINC000849347114 636816250 /nfs/dbraw/zinc/81/62/50/636816250.db2.gz RTBWUBFNYODVQG-UHFFFAOYSA-N 1 0 289.379 3.044 20 10 CGCDRO C[N@H+](Cc1cc2c(cc1O)OCO2)C1CCCCCC1 ZINC000028746110 636832624 /nfs/dbraw/zinc/83/26/24/636832624.db2.gz HPKVTACZPZIVGU-UHFFFAOYSA-N 1 0 277.364 3.276 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3ccc(C)cc3)C2)cc1 ZINC000850345473 637022164 /nfs/dbraw/zinc/02/21/64/637022164.db2.gz BGQGNEPNQATWKL-KRWDZBQOSA-N 1 0 296.414 3.372 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+]C[C@H]3CC=CCC3)C2)cc1 ZINC000850346635 637022984 /nfs/dbraw/zinc/02/29/84/637022984.db2.gz VKUKRVCKNGPHBE-HOTGVXAUSA-N 1 0 286.419 3.220 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@H](CC)COCC2CC2)c1 ZINC000850349341 637023007 /nfs/dbraw/zinc/02/30/07/637023007.db2.gz FJXBLXBWRCEKJH-OAHLLOKOSA-N 1 0 293.407 3.086 20 10 CGCDRO CCOCc1cc(C[NH2+][C@H]2C=CCC2)ccc1OC ZINC000850358697 637026927 /nfs/dbraw/zinc/02/69/27/637026927.db2.gz URMLRRSQNCGACW-HNNXBMFYSA-N 1 0 261.365 3.040 20 10 CGCDRO COc1cccc(O)c1C[NH2+]Cc1cc(C)cc(C)c1 ZINC000850367154 637031615 /nfs/dbraw/zinc/03/16/15/637031615.db2.gz SQPOJRVPZFBRFI-UHFFFAOYSA-N 1 0 271.360 3.307 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2C[C@H](O)c3ccccc32)cc1C ZINC000850372751 637036150 /nfs/dbraw/zinc/03/61/50/637036150.db2.gz YJCFOWAVXVAJPE-AEFFLSMTSA-N 1 0 283.371 3.277 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]CC[C@]2(C)CC2(F)F)c1 ZINC000850381028 637040185 /nfs/dbraw/zinc/04/01/85/637040185.db2.gz UFBXYBVFLOHHRY-CYBMUJFWSA-N 1 0 255.308 3.226 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](CO)CC2CC2)cc1 ZINC000850386436 637043269 /nfs/dbraw/zinc/04/32/69/637043269.db2.gz KBGNPJHWQKUFLK-KRWDZBQOSA-N 1 0 290.451 3.031 20 10 CGCDRO CCOc1ccc(C[NH2+]C[C@H]2C(C)(C)C2(F)F)c(O)c1 ZINC000850394319 637047158 /nfs/dbraw/zinc/04/71/58/637047158.db2.gz PUDVZXPSPPJTMK-ZDUSSCGKSA-N 1 0 285.334 3.172 20 10 CGCDRO COc1ccc(N2CCC([NH2+][C@]3(C)CC3(C)C)CC2)cc1 ZINC000850400002 637048494 /nfs/dbraw/zinc/04/84/94/637048494.db2.gz XDLCKJAYAIHGJH-GOSISDBHSA-N 1 0 288.435 3.442 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)c1 ZINC000850409408 637051564 /nfs/dbraw/zinc/05/15/64/637051564.db2.gz SYXSSNYGZJRCKF-CGTJXYLNSA-N 1 0 283.346 3.268 20 10 CGCDRO C[C@@H]([NH2+][C@H]1COC(C)(C)C1)c1ccc(Cl)cc1O ZINC000850481969 637085744 /nfs/dbraw/zinc/08/57/44/637085744.db2.gz LMDIHMMHVCLDLD-MWLCHTKSSA-N 1 0 269.772 3.264 20 10 CGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H]3CCCC34CC4)C2)cc1 ZINC000850486826 637087588 /nfs/dbraw/zinc/08/75/88/637087588.db2.gz KDURQLINVBZWLL-RHSMWYFYSA-N 1 0 286.419 3.196 20 10 CGCDRO C[C@@H]([NH2+][C@@H](CO)C1CCC1)c1cc2c(cc1O)CCCC2 ZINC000850488317 637088194 /nfs/dbraw/zinc/08/81/94/637088194.db2.gz NKJYRPYYZBFXDR-PXAZEXFGSA-N 1 0 289.419 3.083 20 10 CGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)CC3CCC3)C2)cc1 ZINC000850489100 637089225 /nfs/dbraw/zinc/08/92/25/637089225.db2.gz QTOIBTXHQHDGFO-GOEBONIOSA-N 1 0 288.435 3.442 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@H]2C[C@H](O)c3ccccc32)c1O ZINC000850526307 637105197 /nfs/dbraw/zinc/10/51/97/637105197.db2.gz PENHAFJHASPHIW-UVBJJODRSA-N 1 0 299.370 3.230 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)CN2CCC(C)CC2)c1 ZINC000850543500 637115604 /nfs/dbraw/zinc/11/56/04/637115604.db2.gz KYSPZSMLJPPPGR-HOTGVXAUSA-N 1 0 290.451 3.472 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H](C)c2nccn2C)cc1 ZINC000850572964 637129736 /nfs/dbraw/zinc/12/97/36/637129736.db2.gz RJOTZDLAUGGXIU-ZIAGYGMSSA-N 1 0 286.423 3.288 20 10 CGCDRO CC[C@@H]([NH2+][C@H](C)c1nccn1C)c1ccc(N(C)C)cc1 ZINC000850572711 637129788 /nfs/dbraw/zinc/12/97/88/637129788.db2.gz OELUGQNILFOVRO-CZUORRHYSA-N 1 0 286.423 3.288 20 10 CGCDRO CO[C@H]1CCC[C@H]([NH2+][C@H](C)c2ccccc2O)CC1 ZINC000886186054 637452912 /nfs/dbraw/zinc/45/29/12/637452912.db2.gz OTQIUEWFIKFPDE-RDBSUJKOSA-N 1 0 263.381 3.391 20 10 CGCDRO C[C@@H]([NH2+]Cc1cc(C2CC2)no1)c1ccccc1O ZINC000851896278 637534438 /nfs/dbraw/zinc/53/44/38/637534438.db2.gz HZVNXHGDTKYEFE-SNVBAGLBSA-N 1 0 258.321 3.108 20 10 CGCDRO CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2c([O-])cccc2F)C1 ZINC000886522025 637551265 /nfs/dbraw/zinc/55/12/65/637551265.db2.gz AMSJGLUYZCADRC-UONOGXRCSA-N 1 0 294.414 3.302 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](C)[C@@H](C)C2)c1O ZINC000219816566 637561169 /nfs/dbraw/zinc/56/11/69/637561169.db2.gz UDKOYKSKEPLTEO-OLZOCXBDSA-N 1 0 263.381 3.269 20 10 CGCDRO C[C@@H](NC1CC([NH+]2CCCCC2)C1)c1c(O)cccc1F ZINC000886605760 637601777 /nfs/dbraw/zinc/60/17/77/637601777.db2.gz XXBDGUHOPJBCBM-IYXRBSQSSA-N 1 0 292.398 3.199 20 10 CGCDRO C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1c([O-])cccc1F ZINC000886628676 637617931 /nfs/dbraw/zinc/61/79/31/637617931.db2.gz YTZSULFICQBBRM-HIFPTAJRSA-N 1 0 280.387 3.055 20 10 CGCDRO C[C@@H](NC1(c2ncccn2)CCC1)c1c(O)cccc1F ZINC000886651481 637631702 /nfs/dbraw/zinc/63/17/02/637631702.db2.gz GYQZFWQVORAKGJ-LLVKDONJSA-N 1 0 287.338 3.051 20 10 CGCDRO C[C@H]([NH2+]Cc1cc(C2CC2)no1)c1cc(F)ccc1O ZINC000886684575 637650102 /nfs/dbraw/zinc/65/01/02/637650102.db2.gz NVPBDFNGPQTWQG-VIFPVBQESA-N 1 0 276.311 3.248 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCCC[C@H]2[C@H](C)CO)cc1 ZINC000852427055 637651666 /nfs/dbraw/zinc/65/16/66/637651666.db2.gz ZOYSTPWAXTWJQX-QAPCUYQASA-N 1 0 290.451 3.126 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2C[C@@H]2[C@@H]2C[C@@H]2C)c1O ZINC000886694380 637660842 /nfs/dbraw/zinc/66/08/42/637660842.db2.gz UUDWYGLXUKXNSG-JVSQWTDWSA-N 1 0 275.392 3.344 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CC3(CCC3)CO2)c(O)c1 ZINC000886701539 637664065 /nfs/dbraw/zinc/66/40/65/637664065.db2.gz QYWADCBGJZKROS-KGLIPLIRSA-N 1 0 275.392 3.310 20 10 CGCDRO CCn1nccc1C[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000853240655 637791705 /nfs/dbraw/zinc/79/17/05/637791705.db2.gz QFTGZIOAELVUJH-CYBMUJFWSA-N 1 0 273.380 3.076 20 10 CGCDRO C[C@@H]1CCC[C@H]([NH2+]Cc2cc(F)ccc2O)[C@H]1C ZINC000300416117 637838859 /nfs/dbraw/zinc/83/88/59/637838859.db2.gz KCBMRKRVNUINQT-SUNKGSAMSA-N 1 0 251.345 3.446 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCO[C@@](C)(C3CC3)C2)c1 ZINC000853527827 637863004 /nfs/dbraw/zinc/86/30/04/637863004.db2.gz GBUNIMTXTZGWME-QGZVFWFLSA-N 1 0 275.392 3.010 20 10 CGCDRO C[N@H+](CC1=CCCOC1)Cc1c(O)ccc2ccccc21 ZINC000853561716 637866577 /nfs/dbraw/zinc/86/65/77/637866577.db2.gz OOHSAJIRCMWEEW-UHFFFAOYSA-N 1 0 283.371 3.324 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CC2(O)CCCCC2)cc1 ZINC000112204881 638048396 /nfs/dbraw/zinc/04/83/96/638048396.db2.gz NJSFXCIHOYEHCQ-UHFFFAOYSA-N 1 0 290.451 3.318 20 10 CGCDRO CC(C)(F)CC[NH2+]Cc1cc(Br)ccc1O ZINC000829341060 638216289 /nfs/dbraw/zinc/21/62/89/638216289.db2.gz AVKWBKYZQGZYFJ-UHFFFAOYSA-N 1 0 290.176 3.383 20 10 CGCDRO CCOC[C@H]1CCC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000113923344 638304738 /nfs/dbraw/zinc/30/47/38/638304738.db2.gz JCBMOTWYXISZSC-AWEZNQCLSA-N 1 0 289.419 3.129 20 10 CGCDRO CCOc1cncc(C[NH2+]Cc2ccc(N(C)C)cc2C)c1 ZINC000856770966 638384815 /nfs/dbraw/zinc/38/48/15/638384815.db2.gz TYRBYHORTXLTKI-UHFFFAOYSA-N 1 0 299.418 3.145 20 10 CGCDRO CCC[N@H+](Cc1cn(C)nc1Cl)Cc1ccccc1O ZINC000857014191 638426003 /nfs/dbraw/zinc/42/60/03/638426003.db2.gz KOAWHQHJTWIPNQ-UHFFFAOYSA-N 1 0 293.798 3.191 20 10 CGCDRO CN(C)c1cc(F)c(C[NH2+]C2CCSCC2)cc1F ZINC000858127099 638638105 /nfs/dbraw/zinc/63/81/05/638638105.db2.gz TWNZLHGKCYSETO-UHFFFAOYSA-N 1 0 286.391 3.016 20 10 CGCDRO CCC[C@H](C[NH2+]Cc1cc(OCC)ccc1O)OCC ZINC000858209914 638658498 /nfs/dbraw/zinc/65/84/98/638658498.db2.gz CLBKUBFQOJNGJP-OAHLLOKOSA-N 1 0 281.396 3.086 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+]CC2CC=CC2)cc1 ZINC000858220934 638659861 /nfs/dbraw/zinc/65/98/61/638659861.db2.gz UQNAUTJCKHKIRA-YVMONPNESA-N 1 0 256.393 3.322 20 10 CGCDRO C/C=C/C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000858291378 638672911 /nfs/dbraw/zinc/67/29/11/638672911.db2.gz XFLXDBKWJFUYJL-NSCUHMNNSA-N 1 0 289.379 3.251 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CC=C(C(=O)OC)C1)c1ccc(C)cc1O ZINC000858474828 638731044 /nfs/dbraw/zinc/73/10/44/638731044.db2.gz UVAGLAFDPNDOCT-ZFWWWQNUSA-N 1 0 289.375 3.003 20 10 CGCDRO C[C@@H]([NH2+]C1CC2(C1)CO[C@H](C)C2)c1ccc(N(C)C)cc1 ZINC000926211100 638741343 /nfs/dbraw/zinc/74/13/43/638741343.db2.gz WRQBIZLGAQNWMQ-PYORFJLXSA-N 1 0 288.435 3.361 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CO[C@H](C3CC3)C2)c(O)c1C ZINC000858548986 638759158 /nfs/dbraw/zinc/75/91/58/638759158.db2.gz YRBODUKXUMVQDZ-BJJXKVORSA-N 1 0 275.392 3.227 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CO[C@H](C2CC2)C1)c1ccc(Cl)cc1O ZINC000858548081 638759374 /nfs/dbraw/zinc/75/93/74/638759374.db2.gz QVLGLPCQEFJOEZ-FMSQNYNMSA-N 1 0 281.783 3.264 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@]23CCC[C@H]2OCC3)c1 ZINC000926916913 638825123 /nfs/dbraw/zinc/82/51/23/638825123.db2.gz URBRLJZUOPQCPE-CSMYWGQOSA-N 1 0 291.391 3.011 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@]2(C)CCCCO2)c(O)c1 ZINC000927017430 638832276 /nfs/dbraw/zinc/83/22/76/638832276.db2.gz IWPJEPFOVWQKNC-CJNGLKHVSA-N 1 0 263.381 3.310 20 10 CGCDRO CCc1onc(C)c1C[NH2+][C@@H](C)c1ccccc1O ZINC000927140629 638847222 /nfs/dbraw/zinc/84/72/22/638847222.db2.gz ROZLYLVUSFULLZ-JTQLQIEISA-N 1 0 260.337 3.102 20 10 CGCDRO CO[C@H]1C[C@@H](C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)C1 ZINC000858592776 638999395 /nfs/dbraw/zinc/99/93/95/638999395.db2.gz LBWUNOIOJKGIKH-HNCHTBHHSA-N 1 0 279.355 3.094 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(F)nc1)c1ccccc1O ZINC000931554208 639169753 /nfs/dbraw/zinc/16/97/53/639169753.db2.gz MEHFRHHTNKRHNG-WDEREUQCSA-N 1 0 260.312 3.338 20 10 CGCDRO Oc1ccccc1C[NH2+]C[C@H]1CCc2ccccc2C1 ZINC000117388855 639326157 /nfs/dbraw/zinc/32/61/57/639326157.db2.gz RCFNUJYPDZMNJJ-AWEZNQCLSA-N 1 0 267.372 3.287 20 10 CGCDRO COc1ccc(C[NH2+]C(C)(C)CSC)cc1C ZINC000934663140 639652347 /nfs/dbraw/zinc/65/23/47/639652347.db2.gz ITLWUDALXPCIQF-UHFFFAOYSA-N 1 0 253.411 3.235 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)C1CCC1 ZINC000155298949 639928746 /nfs/dbraw/zinc/92/87/46/639928746.db2.gz GRXZATONNGNVPB-CABCVRRESA-N 1 0 288.435 3.362 20 10 CGCDRO Cc1cc(C)c(O)c(C[NH+]2CCC([C@@H]3CCCO3)CC2)c1 ZINC000190180881 640231498 /nfs/dbraw/zinc/23/14/98/640231498.db2.gz ZLOFVXLNILBHPC-KRWDZBQOSA-N 1 0 289.419 3.400 20 10 CGCDRO COc1ccc(C[NH2+]Cc2ccc3ncccc3c2)c(O)c1 ZINC000192979345 640422397 /nfs/dbraw/zinc/42/23/97/640422397.db2.gz YBKZYAGTNIUYEU-UHFFFAOYSA-N 1 0 294.354 3.239 20 10 CGCDRO Cc1ccc(CC[NH2+]Cc2ccc(N(C)C)cc2)cc1 ZINC000083511054 640597753 /nfs/dbraw/zinc/59/77/53/640597753.db2.gz YNCLVJHMTZAMNG-UHFFFAOYSA-N 1 0 268.404 3.393 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@H]2CCCCC[C@H]2C)c1 ZINC000088507395 640618604 /nfs/dbraw/zinc/61/86/04/640618604.db2.gz SLRMBXPMSAAHBZ-DOMZBBRYSA-N 1 0 263.381 3.459 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000246079071 640655852 /nfs/dbraw/zinc/65/58/52/640655852.db2.gz USFVGJUQECMSND-YVECIDJPSA-N 1 0 279.380 3.007 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)cc1C ZINC000246496345 640677853 /nfs/dbraw/zinc/67/78/53/640677853.db2.gz HIYFDOYGQUDYHW-GUYCJALGSA-N 1 0 299.418 3.289 20 10 CGCDRO CS[C@@H](C)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000090725682 640691674 /nfs/dbraw/zinc/69/16/74/640691674.db2.gz QDBQWDGGTULZSY-RYUDHWBXSA-N 1 0 252.427 3.155 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCOC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000090774289 640692475 /nfs/dbraw/zinc/69/24/75/640692475.db2.gz VNOZEAYRNIYNEC-DZGCQCFKSA-N 1 0 292.398 3.256 20 10 CGCDRO CCC(CC)(CO)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000090801014 640693978 /nfs/dbraw/zinc/69/39/78/640693978.db2.gz RDDZYZOEQQKMSF-AWEZNQCLSA-N 1 0 278.440 3.202 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@](C)(O)C(C)C)cc1 ZINC000248006782 640739056 /nfs/dbraw/zinc/73/90/56/640739056.db2.gz KWUXNMRXYLRTJS-WMLDXEAASA-N 1 0 278.440 3.200 20 10 CGCDRO CC[C@H]([NH2+]C[C@H](O)c1ccco1)c1ccc(N(C)C)cc1 ZINC000305063165 640876888 /nfs/dbraw/zinc/87/68/88/640876888.db2.gz HGQUQBGBMUAYJG-HOTGVXAUSA-N 1 0 288.391 3.120 20 10 CGCDRO CC[C@H]([NH2+]C[C@H]1CCC[C@@H](O)C1)c1ccc(N(C)C)cc1 ZINC000305145382 640883302 /nfs/dbraw/zinc/88/33/02/640883302.db2.gz NHNMYDQRLQBIPG-QGTPRVQTSA-N 1 0 290.451 3.344 20 10 CGCDRO CC[C@H](O)C[N@H+](Cc1ccccc1)Cc1ccccc1O ZINC000305750358 640902058 /nfs/dbraw/zinc/90/20/58/640902058.db2.gz ZHXLDKCPLLJDBQ-KRWDZBQOSA-N 1 0 285.387 3.165 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCc2cccc(C)n2)c1 ZINC000279999910 641034369 /nfs/dbraw/zinc/03/43/69/641034369.db2.gz FXIQSJKSKXEOOC-AWEZNQCLSA-N 1 0 270.376 3.297 20 10 CGCDRO Cc1cccc(CC[NH2+][C@H](C)c2cc(F)ccc2O)n1 ZINC000280258222 641035660 /nfs/dbraw/zinc/03/56/60/641035660.db2.gz XBRSIUKAQZDQDY-GFCCVEGCSA-N 1 0 274.339 3.128 20 10 CGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]CC1CCOCC1 ZINC000111154282 798983680 /nfs/dbraw/zinc/98/36/80/798983680.db2.gz JFTPIBISSBXZJH-GXTWGEPZSA-N 1 0 275.392 3.265 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCOC(C)(C)C)c1 ZINC000308739162 799217226 /nfs/dbraw/zinc/21/72/26/799217226.db2.gz NMKWOPIEPCZEGP-LBPRGKRZSA-N 1 0 251.370 3.166 20 10 CGCDRO COc1ccccc1C[C@@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000378905718 799344720 /nfs/dbraw/zinc/34/47/20/799344720.db2.gz FBYINXZYKOMBDP-CQSZACIVSA-N 1 0 297.398 3.351 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C(C)(C)C(C)(C)C)c1 ZINC000381335921 799377863 /nfs/dbraw/zinc/37/78/63/799377863.db2.gz JHFLHOLFYAACBT-UHFFFAOYSA-N 1 0 251.370 3.315 20 10 CGCDRO COc1cc(Cl)cc(C[N@H+](C)C(C)(C)C)c1O ZINC000382316612 799395205 /nfs/dbraw/zinc/39/52/05/799395205.db2.gz VINVBWNRNLVWLZ-UHFFFAOYSA-N 1 0 257.761 3.285 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)CN(C)C(C)C)c1 ZINC000382457528 799395874 /nfs/dbraw/zinc/39/58/74/799395874.db2.gz WHNGQDVQTRCTKI-UONOGXRCSA-N 1 0 264.413 3.080 20 10 CGCDRO CC[NH+](CC)C1CCN(Cc2cccc(C)c2O)CC1 ZINC000384582647 799417158 /nfs/dbraw/zinc/41/71/58/799417158.db2.gz SYQKPSRTIZMYIJ-UHFFFAOYSA-N 1 0 276.424 3.007 20 10 CGCDRO COc1cccc(C[NH2+]CC2CCCCCC2)c1O ZINC000389423370 799462257 /nfs/dbraw/zinc/46/22/57/799462257.db2.gz BSQRUKCVLBTPAV-UHFFFAOYSA-N 1 0 263.381 3.461 20 10 CGCDRO FC1(F)CCC[C@H]1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000390839223 799475428 /nfs/dbraw/zinc/47/54/28/799475428.db2.gz BKIFQKFMTMPXGT-ZDUSSCGKSA-N 1 0 267.319 3.147 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccnc(C)c2)c1 ZINC000391176194 799477079 /nfs/dbraw/zinc/47/70/79/799477079.db2.gz STGHSSDLYPBUOH-CYBMUJFWSA-N 1 0 256.349 3.255 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc2ccccc2c1O)C(C)(C)O ZINC000393971382 799492066 /nfs/dbraw/zinc/49/20/66/799492066.db2.gz MTSDLHLLAXUCDM-NWDGAFQWSA-N 1 0 273.376 3.355 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CSC[C@H]2C)c1 ZINC000397903723 799523399 /nfs/dbraw/zinc/52/33/99/799523399.db2.gz UUANWLHKCIXHMM-NTZNESFSSA-N 1 0 251.395 3.103 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]C2(C3(C)CC3)CC2)c1O ZINC000398204308 799528029 /nfs/dbraw/zinc/52/80/29/799528029.db2.gz BPIHREZCYOOBMZ-UHFFFAOYSA-N 1 0 281.783 3.477 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCC[C@H]2CCOC2)c(O)c1 ZINC000402029355 799560344 /nfs/dbraw/zinc/56/03/44/799560344.db2.gz HXSSYKZMQDXMLQ-KBPBESRZSA-N 1 0 263.381 3.168 20 10 CGCDRO Cc1cc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)sn1 ZINC000404322130 799575606 /nfs/dbraw/zinc/57/56/06/799575606.db2.gz KADOXYPFSPTEJX-LBPRGKRZSA-N 1 0 275.421 3.368 20 10 CGCDRO COc1cc(Cl)cc(C[NH+]2CCC(F)(F)CC2)c1O ZINC000404797302 799579427 /nfs/dbraw/zinc/57/94/27/799579427.db2.gz RWFSHFXBMWDHQV-UHFFFAOYSA-N 1 0 291.725 3.285 20 10 CGCDRO Cc1cccnc1CC[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000405072952 799581765 /nfs/dbraw/zinc/58/17/65/799581765.db2.gz HUCJRRPXVCWKNO-LBPRGKRZSA-N 1 0 274.339 3.128 20 10 CGCDRO C[C@@H]1CCC[C@@H](C[NH2+]Cc2c(O)cccc2Cl)O1 ZINC000688900968 799757749 /nfs/dbraw/zinc/75/77/49/799757749.db2.gz QBVMNECRGFRJEQ-MNOVXSKESA-N 1 0 269.772 3.093 20 10 CGCDRO Cc1ccc(CC[NH2+][C@H](C)c2cc(C)ccc2O)nc1 ZINC000689496389 799765828 /nfs/dbraw/zinc/76/58/28/799765828.db2.gz XTEWPUXGUGQHMN-CQSZACIVSA-N 1 0 270.376 3.297 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H]2CC[C@@H](C)SC2)c1 ZINC000689613838 799766720 /nfs/dbraw/zinc/76/67/20/799766720.db2.gz WVQBVLHHTBZKPM-YPMHNXCESA-N 1 0 251.395 3.074 20 10 CGCDRO C[N@H+](CCOC(C)(C)C)Cc1cc(Cl)ccc1O ZINC000690116869 799773214 /nfs/dbraw/zinc/77/32/14/799773214.db2.gz YYJRORRQYWERSD-UHFFFAOYSA-N 1 0 271.788 3.293 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc(Br)cc1O)C1CC1 ZINC000691500516 799785144 /nfs/dbraw/zinc/78/51/44/799785144.db2.gz HSKAHFLVTANLIX-GFCCVEGCSA-N 1 0 284.197 3.433 20 10 CGCDRO C[C@@H](C[NH2+][C@@H](C)c1ccccc1O)c1ccccn1 ZINC000692761219 799799361 /nfs/dbraw/zinc/79/93/61/799799361.db2.gz LSWIGXFNJPXNFK-STQMWFEESA-N 1 0 256.349 3.242 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)C1(Cl)CC1 ZINC000695642074 799830922 /nfs/dbraw/zinc/83/09/22/799830922.db2.gz XXDLFBSZAIIYRK-LLVKDONJSA-N 1 0 252.789 3.002 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]CC[C@H]1CC1(F)F)CC2 ZINC000701946646 799899520 /nfs/dbraw/zinc/89/95/20/799899520.db2.gz VTAXVERPDNOJOM-QWRGUYRKSA-N 1 0 253.292 3.014 20 10 CGCDRO C[C@H]([NH2+]CCOCCF)c1ccc2ccccc2c1O ZINC000702627543 799910751 /nfs/dbraw/zinc/91/07/51/799910751.db2.gz TZSAAJHVNNGPAD-LBPRGKRZSA-N 1 0 277.339 3.182 20 10 CGCDRO C[C@H]([NH2+]CCC1SCCS1)c1cc(F)ccc1O ZINC000703382286 799923746 /nfs/dbraw/zinc/92/37/46/799923746.db2.gz YOUQFVLTDPWPMM-VIFPVBQESA-N 1 0 287.425 3.378 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CC[C@H]2CCSC2)c(O)c1 ZINC000704789676 799940378 /nfs/dbraw/zinc/94/03/78/799940378.db2.gz HALUVCYOXICNKN-OLZOCXBDSA-N 1 0 265.422 3.494 20 10 CGCDRO Oc1cccc(Br)c1C[NH2+]C1CCCC1 ZINC000706829222 799967174 /nfs/dbraw/zinc/96/71/74/799967174.db2.gz QMNSKYKZWMEGAL-UHFFFAOYSA-N 1 0 270.170 3.187 20 10 CGCDRO Oc1cccc(Br)c1C[NH2+][C@@H]1CC=CCC1 ZINC000706847085 799967801 /nfs/dbraw/zinc/96/78/01/799967801.db2.gz VJCVCWSZVBOJLK-SNVBAGLBSA-N 1 0 282.181 3.353 20 10 CGCDRO CC(C)C[N@H+](C)Cc1c(O)cccc1Br ZINC000707128909 799974252 /nfs/dbraw/zinc/97/42/52/799974252.db2.gz BUBQMWBKRXZBRT-UHFFFAOYSA-N 1 0 272.186 3.243 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2cc(F)cc(F)c2[O-])C[C@@H]1C ZINC000708424653 799989160 /nfs/dbraw/zinc/98/91/60/799989160.db2.gz ZBLQKABDBNZXQY-ZJUUUORDSA-N 1 0 255.308 3.148 20 10 CGCDRO C[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2O)C1 ZINC000708603040 799992228 /nfs/dbraw/zinc/99/22/28/799992228.db2.gz XGDIKIWXXCEGEQ-GFCCVEGCSA-N 1 0 259.271 3.167 20 10 CGCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](CF)C2)c1O ZINC000711468491 800061050 /nfs/dbraw/zinc/06/10/50/800061050.db2.gz DWKJTTWWUSUKNT-SNVBAGLBSA-N 1 0 285.746 3.040 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1CCC2(CCC2)O1)c1ccccc1O ZINC000711511800 800065439 /nfs/dbraw/zinc/06/54/39/800065439.db2.gz BBNZNWLFZAVNKP-STQMWFEESA-N 1 0 261.365 3.145 20 10 CGCDRO C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc(F)cc1[O-] ZINC000715490840 800136125 /nfs/dbraw/zinc/13/61/25/800136125.db2.gz MTPUMHPPOFBLAP-XGNXJENSSA-N 1 0 280.387 3.055 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]C[C@H]2CCN2Cc2ccccc2)c1 ZINC000716230440 800166021 /nfs/dbraw/zinc/16/60/21/800166021.db2.gz QUYXRLAODSODSP-GOSISDBHSA-N 1 0 296.414 3.065 20 10 CGCDRO CO[C@@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)ccc2O)CC1 ZINC000718372955 800216059 /nfs/dbraw/zinc/21/60/59/800216059.db2.gz HLVDWCJQEQMCDZ-ZIAGYGMSSA-N 1 0 283.799 3.483 20 10 CGCDRO CO[C@H]1CCC[C@H]([NH2+]Cc2cc(Cl)ccc2O)CC1 ZINC000718372794 800216269 /nfs/dbraw/zinc/21/62/69/800216269.db2.gz HLVDWCJQEQMCDZ-KBPBESRZSA-N 1 0 283.799 3.483 20 10 CGCDRO C[C@@H]([NH2+]Cc1nc2c(s1)CCC2)c1cc(F)ccc1O ZINC000719582683 800244041 /nfs/dbraw/zinc/24/40/41/800244041.db2.gz LUKFEZXEFSHATA-SECBINFHSA-N 1 0 292.379 3.327 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2c(O)ccc3ccccc32)CCO1 ZINC000720504641 800260428 /nfs/dbraw/zinc/26/04/28/800260428.db2.gz ZWAREGNZSGXBOK-CYBMUJFWSA-N 1 0 271.360 3.156 20 10 CGCDRO CC1(C[NH2+]Cc2cc(F)ccc2O)CC(F)(F)C1 ZINC000720964014 800274759 /nfs/dbraw/zinc/27/47/59/800274759.db2.gz AXJFWXUHSSKAPC-UHFFFAOYSA-N 1 0 259.271 3.056 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]C[C@H]1CC[C@H](C2CC2)O1 ZINC000722320317 800313246 /nfs/dbraw/zinc/31/32/46/800313246.db2.gz LOYHYUCKSYQJCX-IAQYHMDHSA-N 1 0 281.783 3.093 20 10 CGCDRO COc1ccc(C[NH2+]C[C@H]2CC[C@H](C3CC3)O2)cc1C ZINC000722333790 800314855 /nfs/dbraw/zinc/31/48/55/800314855.db2.gz OQKZFDBCGNJDBG-NVXWUHKLSA-N 1 0 275.392 3.051 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1CC[C@H](C(F)(F)F)O1)c1ccccc1O ZINC000722394469 800322177 /nfs/dbraw/zinc/32/21/77/800322177.db2.gz GUTHFGUCVSOHFX-OPQQBVKSSA-N 1 0 289.297 3.153 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCc2cccc(O)c21)[C@@H]1CCCOC1 ZINC000723957316 800344777 /nfs/dbraw/zinc/34/47/77/800344777.db2.gz UVOIJFPBVZMNPJ-ILXRZTDVSA-N 1 0 275.392 3.174 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cc(Cl)ccc1O)[C@@H]1CCCOC1 ZINC000723951966 800344933 /nfs/dbraw/zinc/34/49/33/800344933.db2.gz PYWPPGNAERDBLY-BXUZGUMPSA-N 1 0 283.799 3.340 20 10 CGCDRO CC(C)CC[C@H](C)[NH2+]CCc1ccc(O)c(O)c1 ZINC001256354077 806863344 /nfs/dbraw/zinc/86/33/44/806863344.db2.gz DAODSPCLEPDXFO-LBPRGKRZSA-N 1 0 251.370 3.055 20 10 CGCDRO Nc1ccc(Cc2ccccc2Nc2cc[nH+]cc2)cc1 ZINC001173884629 808740362 /nfs/dbraw/zinc/74/03/62/808740362.db2.gz OFZUWVCWSQCZFR-UHFFFAOYSA-N 1 0 275.355 3.420 20 10 CGCDRO C[C@H](C[NH2+]Cc1ccc(N)cc1)Cc1cccs1 ZINC001120370569 802742522 /nfs/dbraw/zinc/74/25/22/802742522.db2.gz ASOCXTXRRIHAGG-LBPRGKRZSA-N 1 0 260.406 3.299 20 10 CGCDRO Cc1cnc(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])s1 ZINC001200581014 811715362 /nfs/dbraw/zinc/71/53/62/811715362.db2.gz MWRNCXZADCWBRL-UHFFFAOYSA-N 1 0 286.759 3.239 20 10 CGCDRO C[N@H+](Cc1ccc(N2CCCC2)o1)Cc1ccccc1O ZINC001137069613 803679522 /nfs/dbraw/zinc/67/95/22/803679522.db2.gz FPMGDVOSYVBKCO-UHFFFAOYSA-N 1 0 286.375 3.217 20 10 CGCDRO C[C@@]1(F)CCCC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC001138123879 803864298 /nfs/dbraw/zinc/86/42/98/803864298.db2.gz POPMJFDXRNMLDV-CQSZACIVSA-N 1 0 255.308 3.245 20 10 CGCDRO Cc1c(C[N@@H+]2CCC[C@@H](O)[C@@H](C)C2)c2ccccc2n1C ZINC001138252299 803880819 /nfs/dbraw/zinc/88/08/19/803880819.db2.gz AWECDGUSRMTCES-SCLBCKFNSA-N 1 0 286.419 3.080 20 10 CGCDRO Cc1c(C[N@@H+]2CC[C@]3(CCOC3)C2)c2ccccc2n1C ZINC001138252520 803880848 /nfs/dbraw/zinc/88/08/48/803880848.db2.gz JOUWPSSNVLQUGT-SFHVURJKSA-N 1 0 284.403 3.099 20 10 CGCDRO Cc1c(C[N@H+]2CC[C@@H](C)[C@](C)(O)C2)c2ccccc2n1C ZINC001138252645 803881304 /nfs/dbraw/zinc/88/13/04/803881304.db2.gz OHKHUYAOKVBJOH-FZKQIMNGSA-N 1 0 286.419 3.080 20 10 CGCDRO Cc1c(C[N@@H+]2CCCC[C@](C)(O)C2)c2ccccc2n1C ZINC001138252702 803881578 /nfs/dbraw/zinc/88/15/78/803881578.db2.gz QYKDIEOIZGKXSP-SFHVURJKSA-N 1 0 286.419 3.224 20 10 CGCDRO Cc1c(CN2CC[NH+](C(C)(C)C)CC2)c2ccccc2n1C ZINC001138256756 803883132 /nfs/dbraw/zinc/88/31/32/803883132.db2.gz JJVGFWGWNYHRCS-UHFFFAOYSA-N 1 0 299.462 3.403 20 10 CGCDRO Cc1c(C[N@@H+]2C[C@@H](C)N(C)[C@@H](C)C2)c2ccccc2n1C ZINC001138258039 803883860 /nfs/dbraw/zinc/88/38/60/803883860.db2.gz JAXSASMQOHVAOR-OKILXGFUSA-N 1 0 285.435 3.011 20 10 CGCDRO C[C@@H]1CCC[N@@H+]1Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138336317 803899092 /nfs/dbraw/zinc/89/90/92/803899092.db2.gz OTCDFMIBBABDEK-CYBMUJFWSA-N 1 0 286.419 3.075 20 10 CGCDRO CC[N@H+](Cc1ccncc1)Cc1ccc2c(c1)CCCN2C ZINC001138354773 803900314 /nfs/dbraw/zinc/90/03/14/803900314.db2.gz UKVJLZOFESXYSU-UHFFFAOYSA-N 1 0 295.430 3.486 20 10 CGCDRO Cc1ncccc1C[N@@H+](C)Cc1ccc2c(c1)CCCN2C ZINC001138359213 803902392 /nfs/dbraw/zinc/90/23/92/803902392.db2.gz NWHFEXMOIMUPQE-UHFFFAOYSA-N 1 0 295.430 3.404 20 10 CGCDRO CC[C@H]1CCC[N@@H+]1Cc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001139129030 804133523 /nfs/dbraw/zinc/13/35/23/804133523.db2.gz LHWHAPWIAWJRCT-LBPRGKRZSA-N 1 0 287.359 3.181 20 10 CGCDRO CC[N@H+](Cc1c([O-])ccc2c(C)cc(=O)oc21)C(C)C ZINC001139126603 804133712 /nfs/dbraw/zinc/13/37/12/804133712.db2.gz LZMRDUZZTDRZMB-UHFFFAOYSA-N 1 0 275.348 3.037 20 10 CGCDRO Cc1cc(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)ccc1N(C)C ZINC001139669663 804246551 /nfs/dbraw/zinc/24/65/51/804246551.db2.gz GDDJTRGONZQMEV-WMZOPIPTSA-N 1 0 288.435 3.062 20 10 CGCDRO Cc1cc(C[N@H+]2C[C@@H](C)CC23CC3)ccc1N(C)C ZINC001139674144 804247149 /nfs/dbraw/zinc/24/71/49/804247149.db2.gz RBHMDFPVLHLDFD-ZDUSSCGKSA-N 1 0 258.409 3.435 20 10 CGCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)c1O ZINC001140183326 804395716 /nfs/dbraw/zinc/39/57/16/804395716.db2.gz CABKXWZCUFRXAA-MRXNPFEDSA-N 1 0 298.386 3.057 20 10 CGCDRO Cc1ccc(C)c(C[N@H+](C)C[C@@H]2CCCCO2)c1O ZINC001140182045 804396219 /nfs/dbraw/zinc/39/62/19/804396219.db2.gz GRMXVAFZJZZRRI-AWEZNQCLSA-N 1 0 263.381 3.010 20 10 CGCDRO Cc1ccc(C)c(C[NH+]2CCC3(CCCO3)CC2)c1O ZINC001140182069 804396741 /nfs/dbraw/zinc/39/67/41/804396741.db2.gz HSNWLPDZHJGRLX-UHFFFAOYSA-N 1 0 275.392 3.154 20 10 CGCDRO C[C@]1(CF)CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC001140337729 804418716 /nfs/dbraw/zinc/41/87/16/804418716.db2.gz BFCMKZHTZHVQQR-CYBMUJFWSA-N 1 0 257.736 3.227 20 10 CGCDRO CCCOC1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC001140345392 804420853 /nfs/dbraw/zinc/42/08/53/804420853.db2.gz UTSGPJIXCGBKDP-UHFFFAOYSA-N 1 0 283.799 3.437 20 10 CGCDRO O=C1CCN(Cc2ccc(Cl)cc2O)[C@@H]2CCCC[C@@H]12 ZINC001140461733 804441813 /nfs/dbraw/zinc/44/18/13/804441813.db2.gz SERJRGZQEFSLDT-ZIAGYGMSSA-N 1 0 293.794 3.379 20 10 CGCDRO Oc1cc(Cl)ccc1C[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC001140467577 804443205 /nfs/dbraw/zinc/44/32/05/804443205.db2.gz YGRGNZXKCUDANZ-ZDUSSCGKSA-N 1 0 288.778 3.430 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCOC[C@@H]2C2CCCCC2)c1 ZINC001140624213 804478137 /nfs/dbraw/zinc/47/81/37/804478137.db2.gz LDVHOLNFQDIGLA-QGZVFWFLSA-N 1 0 289.419 3.482 20 10 CGCDRO CCN(CC)c1ccc(C[NH+]2CCC(F)(F)CC2)c(O)c1 ZINC001140851825 804534121 /nfs/dbraw/zinc/53/41/21/804534121.db2.gz QBEJRWLXWBCNFO-UHFFFAOYSA-N 1 0 298.377 3.470 20 10 CGCDRO CC(=O)[C@@H]1CCCCN1Cc1ccc(N(C)C)cc1Cl ZINC001140924644 804551304 /nfs/dbraw/zinc/55/13/04/804551304.db2.gz KGSUNOFMUQDNRE-INIZCTEOSA-N 1 0 294.826 3.350 20 10 CGCDRO Cc1ccc(C[NH+]2CCN(c3ccccc3C)CC2)c(O)c1 ZINC001140948557 804556057 /nfs/dbraw/zinc/55/60/57/804556057.db2.gz NTBQWOJMOAKWND-UHFFFAOYSA-N 1 0 296.414 3.331 20 10 CGCDRO Cc1ccc(C[NH+]2CCC3(CC(F)(F)CO3)CC2)c(O)c1 ZINC001140948011 804556082 /nfs/dbraw/zinc/55/60/82/804556082.db2.gz PGIHAEOSMHALAW-UHFFFAOYSA-N 1 0 297.345 3.091 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCOC3(CCCCC3)C2)c(O)c1 ZINC001140958356 804557243 /nfs/dbraw/zinc/55/72/43/804557243.db2.gz YXWFRSPJVZLLQY-UHFFFAOYSA-N 1 0 275.392 3.236 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CC[C@H]2c2ccccc2)c(OC)c1 ZINC001141029021 804575735 /nfs/dbraw/zinc/57/57/35/804575735.db2.gz HTTCHRPTRABKLW-INIZCTEOSA-N 1 0 299.370 3.356 20 10 CGCDRO F[C@H]1CCC[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141075886 804585669 /nfs/dbraw/zinc/58/56/69/804585669.db2.gz FIUPNHBPCVGFKO-KRWDZBQOSA-N 1 0 288.410 3.319 20 10 CGCDRO CN1CCOc2cc(C[N@H+](Cc3ccco3)C3CC3)ccc21 ZINC001141145703 804598796 /nfs/dbraw/zinc/59/87/96/804598796.db2.gz YONALRZZPSNVJZ-UHFFFAOYSA-N 1 0 298.386 3.273 20 10 CGCDRO CC(C)C[NH+](Cc1cc(O)ccc1O)CC(C)C ZINC001141155748 804600671 /nfs/dbraw/zinc/60/06/71/804600671.db2.gz IQHMQEKJRKKFEK-UHFFFAOYSA-N 1 0 251.370 3.212 20 10 CGCDRO CC[N@H+](Cc1cccc(F)c1)Cc1cc(O)ccc1O ZINC001141160771 804601468 /nfs/dbraw/zinc/60/14/68/804601468.db2.gz HVDZVUKQMQSBNU-UHFFFAOYSA-N 1 0 275.323 3.259 20 10 CGCDRO C[C@H]1CCC[N@H+](Cc2cccc(C(C)(C)C)c2O)[C@@H]1CO ZINC001143103533 804802042 /nfs/dbraw/zinc/80/20/42/804802042.db2.gz FISLURWXWAONBZ-XJKSGUPXSA-N 1 0 291.435 3.283 20 10 CGCDRO CSCC[N@H+](C)Cc1cccc(C(C)(C)C)c1O ZINC001143116435 804802978 /nfs/dbraw/zinc/80/29/78/804802978.db2.gz BAEQMLSXGHIFSE-UHFFFAOYSA-N 1 0 267.438 3.485 20 10 CGCDRO CC(=O)[C@H]1CCC[N@H+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143111562 804803385 /nfs/dbraw/zinc/80/33/85/804803385.db2.gz CTSDIUPIGBQNTM-AWEZNQCLSA-N 1 0 289.419 3.491 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2cccc(C(C)(C)C)c2O)[C@H](C)CO1 ZINC001143112677 804803479 /nfs/dbraw/zinc/80/34/79/804803479.db2.gz YDNIWDYHKVFWMW-CHWSQXEVSA-N 1 0 277.408 3.299 20 10 CGCDRO CC[N@H+](CCC(=O)OC)Cc1cccc(C(C)(C)C)c1O ZINC001143116623 804806237 /nfs/dbraw/zinc/80/62/37/804806237.db2.gz GEKDFFXWBKFEGQ-UHFFFAOYSA-N 1 0 293.407 3.075 20 10 CGCDRO Oc1cc(O)c(C[N@H+]2CC=C(c3ccccc3)CC2)c(O)c1 ZINC001144514652 804997989 /nfs/dbraw/zinc/99/79/89/804997989.db2.gz NLJPTSJUONPHDB-UHFFFAOYSA-N 1 0 297.354 3.093 20 10 CGCDRO CC[C@@H](C)c1nn(C)cc1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001249408514 805143177 /nfs/dbraw/zinc/14/31/77/805143177.db2.gz GALRLEBYUCCRRY-CYBMUJFWSA-N 1 0 299.418 3.198 20 10 CGCDRO CCCCCC[C@H](C)[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001257354866 807119960 /nfs/dbraw/zinc/11/99/60/807119960.db2.gz OTKGTEVXKBTJBE-LRDDRELGSA-N 1 0 281.396 3.080 20 10 CGCDRO CC[C@H](C)[N@@H+]1CCc2c(c3cc(OC)ccc3n2C)C1 ZINC001257442155 807157833 /nfs/dbraw/zinc/15/78/33/807157833.db2.gz CYZQERBFARIGFA-LBPRGKRZSA-N 1 0 272.392 3.344 20 10 CGCDRO CNc1ccccc1NCCC[N@@H+]1CCCC[C@@H]1C ZINC001167754628 807243611 /nfs/dbraw/zinc/24/36/11/807243611.db2.gz UACHXNDVEUQOKT-AWEZNQCLSA-N 1 0 261.413 3.405 20 10 CGCDRO Oc1ccccc1C[NH2+][C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171336777 808030288 /nfs/dbraw/zinc/03/02/88/808030288.db2.gz LRGKDYNRAFQDSB-CQSZACIVSA-N 1 0 289.325 3.318 20 10 CGCDRO CC[C@H](C)OCC[C@H](C)[NH2+]Cc1ccccc1O ZINC001172315701 808227091 /nfs/dbraw/zinc/22/70/91/808227091.db2.gz CPWZBIWEWADCTH-STQMWFEESA-N 1 0 251.370 3.076 20 10 CGCDRO Cc1cccc(C[NH2+][C@H](C)CCOCC(C)C)c1O ZINC001172463666 808333404 /nfs/dbraw/zinc/33/34/04/808333404.db2.gz QQNFCLQTZBBSIO-CQSZACIVSA-N 1 0 265.397 3.241 20 10 CGCDRO CO[C@H]1CCC[C@H]([N@H+](C)Cc2ccc(N(C)C)cc2)C1 ZINC001172951787 808494532 /nfs/dbraw/zinc/49/45/32/808494532.db2.gz TYJLSVYLZFHONN-IRXDYDNUSA-N 1 0 276.424 3.142 20 10 CGCDRO Cc1cc(Nc2ccc(F)c(Br)c2O)cc[nH+]1 ZINC001174657801 809121368 /nfs/dbraw/zinc/12/13/68/809121368.db2.gz QFKKTNQTYIVQRA-UHFFFAOYSA-N 1 0 297.127 3.163 20 10 CGCDRO O=C(c1ccccn1)c1cc(Cl)ccc1Nc1[nH]cc[nH+]1 ZINC001176085987 809620036 /nfs/dbraw/zinc/62/00/36/809620036.db2.gz VYYKDDCYTLGNTP-UHFFFAOYSA-N 1 0 298.733 3.433 20 10 CGCDRO CCO[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)C1 ZINC001177548564 809809084 /nfs/dbraw/zinc/80/90/84/809809084.db2.gz JMUWHNAIFBGAQQ-LSDHHAIUSA-N 1 0 294.414 3.329 20 10 CGCDRO CCC1(CC)[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C[C@H]1OC ZINC001178284765 809857763 /nfs/dbraw/zinc/85/77/63/809857763.db2.gz ALEZWRRIHUPVKL-IAGOWNOFSA-N 1 0 289.419 3.305 20 10 CGCDRO CC(C)CSCC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001178412231 809865014 /nfs/dbraw/zinc/86/50/14/809865014.db2.gz IFZFKHOAGBJTBG-UHFFFAOYSA-N 1 0 279.449 3.490 20 10 CGCDRO CCCOc1ccc(C[NH2+]C[C@@H](O)C2CCC2)cc1C ZINC001178953586 809895652 /nfs/dbraw/zinc/89/56/52/809895652.db2.gz DUERQLRHQHXDFL-MRXNPFEDSA-N 1 0 277.408 3.034 20 10 CGCDRO COc1cc(C)c(C[NH2+]CCC2(CSC)CC2)c(O)c1 ZINC001182817766 810125974 /nfs/dbraw/zinc/12/59/74/810125974.db2.gz WIBFUHGOTSYDOL-UHFFFAOYSA-N 1 0 295.448 3.332 20 10 CGCDRO Cn1c(-c2ccccc2)cnc1SC[C@H]1CCC[N@@H+]1C ZINC001188400413 810480522 /nfs/dbraw/zinc/48/05/22/810480522.db2.gz JNSIROLEMQZRET-CQSZACIVSA-N 1 0 287.432 3.273 20 10 CGCDRO CC(C)CCOCC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001199830568 811600824 /nfs/dbraw/zinc/60/08/24/811600824.db2.gz PGJUNGNWCRDKID-UHFFFAOYSA-N 1 0 277.408 3.164 20 10 CGCDRO COc1cccc(C[N@@H+]2CC[C@@H](C)C(F)(F)CC2)c1O ZINC001203585630 812400695 /nfs/dbraw/zinc/40/06/95/812400695.db2.gz RDGVKUQYPDUOJK-LLVKDONJSA-N 1 0 285.334 3.268 20 10 CGCDRO COc1ccc(C[N@@H+]2CCCC[C@@](C)(F)C2)c(O)c1 ZINC001203620834 812409134 /nfs/dbraw/zinc/40/91/34/812409134.db2.gz JLMKWGRDFNJCRZ-OAHLLOKOSA-N 1 0 267.344 3.115 20 10 CGCDRO COc1ccc(C[N@H+](C)CC/C=C/c2cccnc2)c(O)c1 ZINC001203634665 812412897 /nfs/dbraw/zinc/41/28/97/812412897.db2.gz QIJARWWOEAYIRO-ZZXKWVIFSA-N 1 0 298.386 3.331 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H]3CCC[C@@H]3C2)c1 ZINC001203671149 812425584 /nfs/dbraw/zinc/42/55/84/812425584.db2.gz KTHNORJNZMUNGG-QWHCGFSZSA-N 1 0 261.365 3.023 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H]3CCC[C@@H]3C2)c1 ZINC001203671147 812425865 /nfs/dbraw/zinc/42/58/65/812425865.db2.gz KTHNORJNZMUNGG-CHWSQXEVSA-N 1 0 261.365 3.023 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H]2Cc2ccccn2)c1 ZINC001203677913 812427197 /nfs/dbraw/zinc/42/71/97/812427197.db2.gz AFXIVGCPADRDAX-INIZCTEOSA-N 1 0 298.386 3.003 20 10 CGCDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)Cc1cccnc1 ZINC001204075163 812541534 /nfs/dbraw/zinc/54/15/34/812541534.db2.gz IDTNZICRYGBZQE-UHFFFAOYSA-N 1 0 281.403 3.314 20 10 CGCDRO C[C@@H]1C[C@@H](O)CC[N@@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001204241816 812583588 /nfs/dbraw/zinc/58/35/88/812583588.db2.gz JAFRXSHWJXSZHN-ZBFHGGJFSA-N 1 0 298.430 3.251 20 10 CGCDRO Oc1ccc(C[N@@H+]2CC[C@H](Cc3ccccc3)C2)c(O)c1 ZINC001204275679 812593942 /nfs/dbraw/zinc/59/39/42/812593942.db2.gz YETXGLMNAGMTQF-OAHLLOKOSA-N 1 0 283.371 3.162 20 10 CGCDRO COc1cccc([C@@H]2CCC[N@@H+]2Cc2ccc(O)cc2O)c1 ZINC001204278873 812594023 /nfs/dbraw/zinc/59/40/23/812594023.db2.gz LHAMWPRHCDZHFJ-KRWDZBQOSA-N 1 0 299.370 3.444 20 10 CGCDRO C[N@H+](CCc1ccc(Cl)cc1)Cc1ccc(O)cc1O ZINC001204279075 812594321 /nfs/dbraw/zinc/59/43/21/812594321.db2.gz PNOJGSMJQDRBSD-UHFFFAOYSA-N 1 0 291.778 3.426 20 10 CGCDRO Cc1ccc(C[N@@H+](C)Cc2ccc(O)cc2O)cc1 ZINC001204275783 812594827 /nfs/dbraw/zinc/59/48/27/812594827.db2.gz ZGDACCFVCONUII-UHFFFAOYSA-N 1 0 257.333 3.038 20 10 CGCDRO c1cc2c(cn1)C[N@H+](Cc1ccc(N3CCCC3)cc1)CC2 ZINC001204322609 812612530 /nfs/dbraw/zinc/61/25/30/812612530.db2.gz UAKAYSCEOHXDLZ-UHFFFAOYSA-N 1 0 293.414 3.240 20 10 CGCDRO CCN1CC[N@H+](Cc2cc(C(C)C)ccc2O)C[C@@H]1C ZINC001204866099 812758577 /nfs/dbraw/zinc/75/85/77/812758577.db2.gz JRGDTCXDRGATGL-AWEZNQCLSA-N 1 0 276.424 3.042 20 10 CGCDRO CCC[C@@H](C)[N@H+](C)Cc1c(C)cc(OC)cc1O ZINC001204888167 812764803 /nfs/dbraw/zinc/76/48/03/812764803.db2.gz DZCALNUTFFCMIJ-GFCCVEGCSA-N 1 0 251.370 3.330 20 10 CGCDRO [NH3+]C[C@@H]1CCCCN1Cc1cccc(-c2ccccc2)c1O ZINC001204932863 812782043 /nfs/dbraw/zinc/78/20/43/812782043.db2.gz NXQXJTZWDQDNTE-KRWDZBQOSA-N 1 0 296.414 3.372 20 10 CGCDRO Oc1cccc2c1C[N@H+](Cc1cccc3[nH]ccc31)CC2 ZINC001205297647 812937020 /nfs/dbraw/zinc/93/70/20/812937020.db2.gz DRCKTWVAEPMJGX-UHFFFAOYSA-N 1 0 278.355 3.432 20 10 CGCDRO C[C@H]1CC[C@H](CN)[N@H+](Cc2cc3ccccc3cc2O)C1 ZINC001205843085 813105528 /nfs/dbraw/zinc/10/55/28/813105528.db2.gz RDBRUNJARHXALO-SUMWQHHRSA-N 1 0 284.403 3.105 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+]C[C@H]2CCCCN2C)c1 ZINC001207727965 813641516 /nfs/dbraw/zinc/64/15/16/813641516.db2.gz HJLSNSAIPOPEDK-MRXNPFEDSA-N 1 0 276.424 3.090 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@@H](C)c2ncccc2C)c1O ZINC001207783518 813650287 /nfs/dbraw/zinc/65/02/87/813650287.db2.gz IMYAUDJHYHNKLH-ZDUSSCGKSA-N 1 0 286.375 3.263 20 10 CGCDRO CCC(=O)C(C)(C)C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC001208920381 813899429 /nfs/dbraw/zinc/89/94/29/813899429.db2.gz CVJJJBCZVNVXCP-UHFFFAOYSA-N 1 0 276.424 3.190 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)CCCc2cccnc2)cc1 ZINC001209186630 813959489 /nfs/dbraw/zinc/95/94/89/813959489.db2.gz ZVVGBJYTJMJVOK-UHFFFAOYSA-N 1 0 283.419 3.212 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(C[N@H+]2C[C@@H](O)CC[C@H]2C)cc1 ZINC001209516858 814071485 /nfs/dbraw/zinc/07/14/85/814071485.db2.gz QVNPKHCBHIKUHK-KUHUBIRLSA-N 1 0 298.430 3.439 20 10 CGCDRO COCC1C[NH+](Cc2ccc(-n3c(C)ccc3C)cc2)C1 ZINC001209518967 814072570 /nfs/dbraw/zinc/07/25/70/814072570.db2.gz OIZXDACXCDZFHN-UHFFFAOYSA-N 1 0 284.403 3.172 20 10 CGCDRO C[C@H]1CCN(Cc2ccc(N(C)C)c3ccccc23)CC[NH2+]1 ZINC001210475794 814479524 /nfs/dbraw/zinc/47/95/24/814479524.db2.gz OVQHRZRJPHCDED-HNNXBMFYSA-N 1 0 297.446 3.090 20 10 CGCDRO Cc1c(CN2CC[C@@]3(C2)CCCC[NH2+]3)c2ccccc2n1C ZINC001222427145 816442342 /nfs/dbraw/zinc/44/23/42/816442342.db2.gz MOHJBMQXFGNMIQ-LJQANCHMSA-N 1 0 297.446 3.205 20 10 CGCDRO Oc1cc2ccccc2cc1CN1CC[C@]2(C1)CCCC[NH2+]2 ZINC001222436372 816445470 /nfs/dbraw/zinc/44/54/70/816445470.db2.gz WQQULXUYDQWULF-IBGZPJMESA-N 1 0 296.414 3.263 20 10 CGCDRO Oc1ccc2ccccc2c1C[N@@H+]1CCc2cccnc2C1 ZINC001231590867 818131549 /nfs/dbraw/zinc/13/15/49/818131549.db2.gz OMJUFNAEXOGQQC-UHFFFAOYSA-N 1 0 290.366 3.499 20 10 CGCDRO Cc1cccc(C[N@@H+]2CC[C@](CF)(C(F)(F)F)C2)c1O ZINC001231591028 818131768 /nfs/dbraw/zinc/13/17/68/818131768.db2.gz QIZOYZHIMCHTQM-CYBMUJFWSA-N 1 0 291.288 3.425 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCC[C@@H]2Cc2ccccn2)c1O ZINC001231591927 818132367 /nfs/dbraw/zinc/13/23/67/818132367.db2.gz COAOTFQHHPWBLX-QGZVFWFLSA-N 1 0 282.387 3.303 20 10 CGCDRO Cc1cccc(C[NH+]2CCC3(CCC(=O)CC3)CC2)c1O ZINC001231595329 818133352 /nfs/dbraw/zinc/13/33/52/818133352.db2.gz WSKYVPHVJNXACU-UHFFFAOYSA-N 1 0 287.403 3.426 20 10 CGCDRO CCOC1CC[NH+](Cc2c(C)cc(C)cc2O)CC1 ZINC001231844040 818186443 /nfs/dbraw/zinc/18/64/43/818186443.db2.gz FRWRULZDQPLTGF-UHFFFAOYSA-N 1 0 263.381 3.010 20 10 CGCDRO COc1cc(N(C)C)ccc1C[NH+](C(C)C)C(C)C ZINC001231849560 818188470 /nfs/dbraw/zinc/18/84/70/818188470.db2.gz VWKQKOKGRQYDCV-UHFFFAOYSA-N 1 0 264.413 3.380 20 10 CGCDRO CO[C@@H]1CC[N@H+](Cc2c(C)cc(C)cc2O)[C@H](C)C1 ZINC001231850943 818188655 /nfs/dbraw/zinc/18/86/55/818188655.db2.gz XGNLTLWVPUXCOT-ZIAGYGMSSA-N 1 0 263.381 3.008 20 10 CGCDRO CC[C@H]1CCC[N@@H+]1Cc1ccc(N(C)C)cc1OC ZINC001231853449 818188673 /nfs/dbraw/zinc/18/86/73/818188673.db2.gz KIJHDIREMMXCCY-AWEZNQCLSA-N 1 0 262.397 3.136 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2[C@@H]3CC[C@H]2CC(=O)C3)cc1Cl ZINC001231867494 818191325 /nfs/dbraw/zinc/19/13/25/818191325.db2.gz LJHTXYUFFNJTSX-TXEJJXNPSA-N 1 0 279.767 3.050 20 10 CGCDRO Oc1c(C[N@@H+]2CC[C@]3(CCCO3)C2)ccc2ccccc21 ZINC001231879600 818199441 /nfs/dbraw/zinc/19/94/41/818199441.db2.gz JSSFFPPLKDXLTB-GOSISDBHSA-N 1 0 283.371 3.300 20 10 CGCDRO CC[N@H+](Cc1cc(C)nc(C)c1)Cc1ccccc1O ZINC001232002666 818230741 /nfs/dbraw/zinc/23/07/41/818230741.db2.gz GVPKSDXAFYKJBJ-UHFFFAOYSA-N 1 0 270.376 3.426 20 10 CGCDRO Oc1cc(O)c(C[N@@H+]2CCCC(F)(F)CC2)cc1Cl ZINC001232258515 818296447 /nfs/dbraw/zinc/29/64/47/818296447.db2.gz AHQZEQPDHZYUHH-UHFFFAOYSA-N 1 0 291.725 3.372 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)c(O)c1 ZINC001232840029 818453450 /nfs/dbraw/zinc/45/34/50/818453450.db2.gz KKPWAFQAOOARKD-CJNGLKHVSA-N 1 0 274.408 3.223 20 10 CGCDRO CN(C)c1ccc(C[NH+]2C3CCCC2CCC3)c(O)c1 ZINC001232840728 818453740 /nfs/dbraw/zinc/45/37/40/818453740.db2.gz IIQTTWRAXXBPPL-UHFFFAOYSA-N 1 0 274.408 3.365 20 10 CGCDRO Cc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(O)c(O)c(O)c2)cc1 ZINC001233013649 818503378 /nfs/dbraw/zinc/50/33/78/818503378.db2.gz RMJXSOBRYJNKPB-HNNXBMFYSA-N 1 0 299.370 3.449 20 10 CGCDRO CC[NH+](CC)Cc1cc(Br)c(OC)cc1O ZINC001233135054 818528229 /nfs/dbraw/zinc/52/82/29/818528229.db2.gz KLDNFISBEUMDOF-UHFFFAOYSA-N 1 0 288.185 3.005 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2cc(C(C)(C)C)ccc2O)CC[C@@H]1O ZINC001233284154 818566575 /nfs/dbraw/zinc/56/65/75/818566575.db2.gz KIQWARPFKHRMQE-CJNGLKHVSA-N 1 0 291.435 3.283 20 10 CGCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CC[C@H]3OCC[C@@H]3C2)c1 ZINC001233287119 818568073 /nfs/dbraw/zinc/56/80/73/818568073.db2.gz XKRWCLUIXVQRBY-CXAGYDPISA-N 1 0 289.419 3.301 20 10 CGCDRO CC(C)(C)c1ccc(O)c(C[N@H+]2CCC[C@H]2C(C)(C)O)c1 ZINC001233286879 818568654 /nfs/dbraw/zinc/56/86/54/818568654.db2.gz MRFCBVLVQHSVGO-INIZCTEOSA-N 1 0 291.435 3.425 20 10 CGCDRO C[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2O)CCCO1 ZINC001233452144 818622940 /nfs/dbraw/zinc/62/29/40/818622940.db2.gz MDIHIPDXHKDPGN-JTQLQIEISA-N 1 0 289.297 3.022 20 10 CGCDRO CC(C)[N@H+](CCCO)Cc1ccc(C(F)(F)F)cc1O ZINC001233454452 818623871 /nfs/dbraw/zinc/62/38/71/818623871.db2.gz VNGVTOXFCUWIKA-UHFFFAOYSA-N 1 0 291.313 3.004 20 10 CGCDRO CC[N@H+](Cc1cccc(OC(F)(F)F)c1O)C1CC1 ZINC001233728209 818692281 /nfs/dbraw/zinc/69/22/81/818692281.db2.gz UHSTXKCVUVHGGL-UHFFFAOYSA-N 1 0 275.270 3.275 20 10 CGCDRO CC[C@H](C)Oc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC001234657438 818907201 /nfs/dbraw/zinc/90/72/01/818907201.db2.gz DDRBPILVUYMABI-AWEZNQCLSA-N 1 0 262.397 3.006 20 10 CGCDRO Oc1c(C[N@H+]2CCCC[C@@H](O)C2)cccc1-c1ccccc1 ZINC001235001266 818974159 /nfs/dbraw/zinc/97/41/59/818974159.db2.gz LODRQAPYRNJOCB-QGZVFWFLSA-N 1 0 297.398 3.406 20 10 CGCDRO CC(C)(C)c1ccc(C[N@@H+]2CCC[C@@H](CO)CC2)c(O)c1 ZINC001235674087 819134734 /nfs/dbraw/zinc/13/47/34/819134734.db2.gz DOBDIGPURHEDMF-CQSZACIVSA-N 1 0 291.435 3.284 20 10 CGCDRO CCOC(=O)CC[N@H+](C)Cc1ccc(C(C)(C)C)cc1O ZINC001235681471 819139697 /nfs/dbraw/zinc/13/96/97/819139697.db2.gz AFFYLJANAQDRIO-UHFFFAOYSA-N 1 0 293.407 3.075 20 10 CGCDRO C[N@H+](Cc1ccno1)Cc1ccc(C(C)(C)C)cc1O ZINC001235681579 819140065 /nfs/dbraw/zinc/14/00/65/819140065.db2.gz NTAJFDLJUZAOGR-UHFFFAOYSA-N 1 0 274.364 3.310 20 10 CGCDRO CN(Cc1cc(Cl)c(C(C)(C)C)cc1O)[C@H]1CC[NH2+]C1 ZINC001235741682 819159020 /nfs/dbraw/zinc/15/90/20/819159020.db2.gz OPGYKBGPMTVQCA-LBPRGKRZSA-N 1 0 296.842 3.137 20 10 CGCDRO CC(C)C[C@H]1C[N@H+](Cc2c(O)ccc3ccccc32)CCN1 ZINC001235881144 819195129 /nfs/dbraw/zinc/19/51/29/819195129.db2.gz AZKPHPDRIVCEIM-INIZCTEOSA-N 1 0 298.430 3.365 20 10 CGCDRO CC(C)(C)c1cccc(CN2CC3(C2)CCCC[NH2+]3)c1O ZINC001235923416 819223089 /nfs/dbraw/zinc/22/30/89/819223089.db2.gz ZPSINFOVNIOWDV-UHFFFAOYSA-N 1 0 288.435 3.018 20 10 CGCDRO C[C@H]1C[C@@H]([NH3+])CN(Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001236044552 819281852 /nfs/dbraw/zinc/28/18/52/819281852.db2.gz NSOAVWPIIRBMQO-GOEBONIOSA-N 1 0 297.446 3.075 20 10 CGCDRO Cc1cc(CN2C[C@@H](C)C[C@H]([NH3+])C2)c(C)n1-c1ccccc1 ZINC001236047521 819285004 /nfs/dbraw/zinc/28/50/04/819285004.db2.gz MBHHZIPVBRPWKG-KSSFIOAISA-N 1 0 297.446 3.263 20 10 CGCDRO C[C@@H]1C[NH2+]C[C@@H](C)N1Cc1cccc(-c2ccccc2)c1O ZINC001236104292 819321770 /nfs/dbraw/zinc/32/17/70/819321770.db2.gz YRLSVLAVTSQHNF-HUUCEWRRSA-N 1 0 296.414 3.241 20 10 CGCDRO Cc1c(CN2CCC[C@H]([NH2+]C3CC3)C2)c2ccccc2n1C ZINC001236216476 819379928 /nfs/dbraw/zinc/37/99/28/819379928.db2.gz NTKXUAWOYOXLDW-INIZCTEOSA-N 1 0 297.446 3.203 20 10 CGCDRO CCc1ccc(C[N@@H+]2CCc3c(N)cccc3C2)c(O)c1 ZINC001236365810 819435597 /nfs/dbraw/zinc/43/55/97/819435597.db2.gz XJBIIUAPTDSQQN-UHFFFAOYSA-N 1 0 282.387 3.095 20 10 CGCDRO C[C@@H]1[C@H]([NH3+])CCCN1Cc1cc(C(C)(C)C)ccc1O ZINC001236415964 819462006 /nfs/dbraw/zinc/46/20/06/819462006.db2.gz BACHBKXXMRDGKV-IUODEOHRSA-N 1 0 276.424 3.001 20 10 CGCDRO CCc1ccc(C[N@@H+]2CCC[C@@H](F)CC2)c(O)c1 ZINC001236784301 819595652 /nfs/dbraw/zinc/59/56/52/819595652.db2.gz UJVQGUAQWGTWOR-CQSZACIVSA-N 1 0 251.345 3.279 20 10 CGCDRO CCc1ccc(C[NH+]2CCC(OC(C)C)CC2)c(O)c1 ZINC001236791070 819595843 /nfs/dbraw/zinc/59/58/43/819595843.db2.gz CMMNPYPLRBKXJB-UHFFFAOYSA-N 1 0 277.408 3.344 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](F)CC2)c(Cl)c1 ZINC001236797875 819599009 /nfs/dbraw/zinc/59/90/09/819599009.db2.gz JQNUQHUDNAUNOD-JTQLQIEISA-N 1 0 287.762 3.378 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CC[C@@H](c3cccnc3)C2)c(O)c1 ZINC001236814864 819606345 /nfs/dbraw/zinc/60/63/45/819606345.db2.gz XCJSKBXJHHZHGR-OAHLLOKOSA-N 1 0 298.386 3.094 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2cc3ccccc3cc2O)CCC[C@H]1O ZINC001236826741 819610401 /nfs/dbraw/zinc/61/04/01/819610401.db2.gz MEDRKNNBZKOTDW-CXAGYDPISA-N 1 0 285.387 3.138 20 10 CGCDRO Oc1cc2ccccc2cc1C[NH+]1CC(C(F)F)C1 ZINC001236836160 819615705 /nfs/dbraw/zinc/61/57/05/819615705.db2.gz YSQVREJRPBYCNH-UHFFFAOYSA-N 1 0 263.287 3.242 20 10 CGCDRO Oc1cc2ccccc2cc1C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC001236836600 819617303 /nfs/dbraw/zinc/61/73/03/819617303.db2.gz LHPAIOYQRDHYDN-QGZVFWFLSA-N 1 0 283.371 3.156 20 10 CGCDRO CC(C)c1ccc(C[NH+]2CC3(C2)CCOCC3)c(O)c1 ZINC001237053493 819652401 /nfs/dbraw/zinc/65/24/01/819652401.db2.gz LNUGJEAUZFTZAX-UHFFFAOYSA-N 1 0 275.392 3.128 20 10 CGCDRO Oc1ccc(F)c(Cl)c1C[N@@H+]1CCCC12CC2 ZINC001237119074 819672015 /nfs/dbraw/zinc/67/20/15/819672015.db2.gz AICWHHZWGSPRGO-UHFFFAOYSA-N 1 0 255.720 3.313 20 10 CGCDRO CC[N@H+](Cc1c(O)cccc1OC(F)(F)F)C1CC1 ZINC001237120148 819672081 /nfs/dbraw/zinc/67/20/81/819672081.db2.gz NENMUMQSFNFCLO-UHFFFAOYSA-N 1 0 275.270 3.275 20 10 CGCDRO COCC[N@H+](Cc1cc(C(F)(F)F)ccc1O)C(C)C ZINC001237140161 819676913 /nfs/dbraw/zinc/67/69/13/819676913.db2.gz WWXBEUWTBDIXGA-UHFFFAOYSA-N 1 0 291.313 3.268 20 10 CGCDRO Cc1ccnn1C1CC[NH+](Cc2c(C)cccc2O)CC1 ZINC001237495224 819763722 /nfs/dbraw/zinc/76/37/22/819763722.db2.gz NNMGDCCSSLIBOQ-UHFFFAOYSA-N 1 0 285.391 3.043 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H](C(=O)c2ccccc2)C1 ZINC001237495292 819763924 /nfs/dbraw/zinc/76/39/24/819763924.db2.gz OVTBJEMXSYNQBB-INIZCTEOSA-N 1 0 295.382 3.405 20 10 CGCDRO COc1cc(C[N@@H+]2CC[C@@H](C)C[C@H]2C)c(O)c(OC)c1 ZINC001237677073 819803941 /nfs/dbraw/zinc/80/39/41/819803941.db2.gz WPAGCYAGWHOLFF-VXGBXAGGSA-N 1 0 279.380 3.030 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CC[C@H](CO)CC1 ZINC001342406469 936466514 /nfs/dbraw/zinc/46/65/14/936466514.db2.gz LMQIAKPZHJPHBA-TUVASFSCSA-N 1 0 289.419 3.390 20 10 CGCDRO Oc1cccc(Br)c1C[NH2+][C@@H]1C[C@H]2CCC[C@H]21 ZINC001474295045 937849058 /nfs/dbraw/zinc/84/90/58/937849058.db2.gz WRKXGBINRJHWMK-GIPNMCIBSA-N 1 0 296.208 3.433 20 10 CGCDRO C[C@@H]1COCC[C@@H]1C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001345413909 936811048 /nfs/dbraw/zinc/81/10/48/936811048.db2.gz WZVVBYGIOHYBBM-NVXWUHKLSA-N 1 0 288.435 3.049 20 10 CGCDRO CC[C@@H]([NH2+]CCCC[NH3+])c1ccc(C(F)(F)F)cc1O ZINC001348854075 936936936 /nfs/dbraw/zinc/93/69/36/936936936.db2.gz XFQHSNMTOFOVSZ-GFCCVEGCSA-N 1 0 290.329 3.191 20 10 CGCDRO CCO[C@@]1(C)C[C@H]1[NH2+]Cc1cc(Cl)c(C)cc1O ZINC001474626497 937207697 /nfs/dbraw/zinc/20/76/97/937207697.db2.gz MYFRJBAQCQSPOH-KGLIPLIRSA-N 1 0 269.772 3.011 20 10 CGCDRO Cc1ccc(C)c(C[N@@H+]2CCC(=O)[C@H]3CCCC[C@@H]32)c1O ZINC001140178410 931957328 /nfs/dbraw/zinc/95/73/28/931957328.db2.gz KXTFECYRJBUELE-HOCLYGCPSA-N 1 0 287.403 3.343 20 10 CGCDRO CCCN(CCC)c1ccc(C[NH2+]C[C@H]2CCOC2)cc1 ZINC001461045198 937561606 /nfs/dbraw/zinc/56/16/06/937561606.db2.gz QJOWSRAYFOPZSO-QGZVFWFLSA-N 1 0 290.451 3.439 20 10 CGCDRO O[C@@H](C[NH2+]Cc1ccc2c(c1)CCCO2)C1CCCCC1 ZINC001461137567 937565894 /nfs/dbraw/zinc/56/58/94/937565894.db2.gz FGJWRQXIYSIHEI-KRWDZBQOSA-N 1 0 289.419 3.042 20 10 CGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H](CCO)c1ccco1 ZINC001461456929 937582306 /nfs/dbraw/zinc/58/23/06/937582306.db2.gz MPXZRDVQVKQQRL-HNNXBMFYSA-N 1 0 298.386 3.293 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2CC[C@H](C)O2)cc1F ZINC001461546624 937585610 /nfs/dbraw/zinc/58/56/10/937585610.db2.gz AFTZOGRGADGUNF-DZGCQCFKSA-N 1 0 294.414 3.329 20 10 CGCDRO COc1ccc(C[N@@H+]2CC[C@@H](C)C(C)(C)C2)c(O)c1OC ZINC001462060559 937615224 /nfs/dbraw/zinc/61/52/24/937615224.db2.gz NTVFWUYRHIWQID-GFCCVEGCSA-N 1 0 293.407 3.277 20 10 CGCDRO Oc1cc(Cl)ccc1C[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC001462117402 937618781 /nfs/dbraw/zinc/61/87/81/937618781.db2.gz PDIFBWJOOMQPTI-INIZCTEOSA-N 1 0 295.810 3.437 20 10 CGCDRO CC[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2C)[C@@H](CC)CO1 ZINC001462415263 937639443 /nfs/dbraw/zinc/63/94/43/937639443.db2.gz PGGOLHIFMGDZPF-WMZOPIPTSA-N 1 0 290.451 3.450 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2cccc(Cl)c2N)c1 ZINC001462448792 937641928 /nfs/dbraw/zinc/64/19/28/937641928.db2.gz OYAGMZCVBGQTSZ-UHFFFAOYSA-N 1 0 276.767 3.226 20 10 CGCDRO c1ccc(C[C@@H]2C[C@H]2[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC001308275048 933086615 /nfs/dbraw/zinc/08/66/15/933086615.db2.gz XPQIAIBSEZSYHG-QZTJIDSGSA-N 1 0 279.383 3.342 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CCO[C@@H](C(C)C)C2)cc1C ZINC001308350343 933098391 /nfs/dbraw/zinc/09/83/91/933098391.db2.gz SLDQUBQKPSNCQS-NVXWUHKLSA-N 1 0 277.408 3.297 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2ccc3c(c2)CCCO3)nc1 ZINC001308446971 933112441 /nfs/dbraw/zinc/11/24/41/933112441.db2.gz GCEIPNOYNDSUMH-UHFFFAOYSA-N 1 0 268.360 3.005 20 10 CGCDRO CC[C@@H]1CC[N@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC001308585494 933138139 /nfs/dbraw/zinc/13/81/39/933138139.db2.gz ZXYKLFVLCWPLEY-IYKSTZQJSA-N 1 0 258.409 3.498 20 10 CGCDRO Cc1ccc(C[NH2+][C@H]2C[C@H](OC(C)C)C2(C)C)c(O)c1 ZINC001308671134 933153302 /nfs/dbraw/zinc/15/33/02/933153302.db2.gz ZZLPLOBJFQXCTQ-HOTGVXAUSA-N 1 0 277.408 3.382 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+]C2(CN(C)C)CCC2)c1 ZINC001308722122 933164086 /nfs/dbraw/zinc/16/40/86/933164086.db2.gz WXHGSUQBWONASZ-UHFFFAOYSA-N 1 0 276.424 3.090 20 10 CGCDRO CCC[N@H+](CCN1CCCC1)Cc1ccc(Cl)cc1O ZINC001308755850 933171405 /nfs/dbraw/zinc/17/14/05/933171405.db2.gz IBBMQOLITKHUPA-UHFFFAOYSA-N 1 0 296.842 3.353 20 10 CGCDRO CCOCC(C)(C)C[NH2+]Cc1ccc(Cl)cc1O ZINC001308798558 933178820 /nfs/dbraw/zinc/17/88/20/933178820.db2.gz GVGWSDUNFNMRBH-UHFFFAOYSA-N 1 0 271.788 3.198 20 10 CGCDRO CC[C@H]1C[NH+](Cc2c(C)cc(OC)cc2O)C[C@H](CC)O1 ZINC001308827325 933185747 /nfs/dbraw/zinc/18/57/47/933185747.db2.gz ZMPIDPNLVPURGM-KBPBESRZSA-N 1 0 293.407 3.099 20 10 CGCDRO CC(C)CC[C@H](CO)[NH2+]Cc1ccc2ccccc2c1O ZINC001308866673 933192946 /nfs/dbraw/zinc/19/29/46/933192946.db2.gz YBXQQGUFKXMJFJ-MRXNPFEDSA-N 1 0 287.403 3.432 20 10 CGCDRO C[C@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)C[C@H]1C ZINC001319822350 933939218 /nfs/dbraw/zinc/93/92/18/933939218.db2.gz CWXCOQARUXREIT-GASCZTMLSA-N 1 0 258.409 3.375 20 10 CGCDRO COC(C)(C)C[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001323331736 934385131 /nfs/dbraw/zinc/38/51/31/934385131.db2.gz SPNCCFHVMMIZNR-UHFFFAOYSA-N 1 0 276.424 3.144 20 10 CGCDRO CS[C@H]1CC[C@H]([N@H+](C)Cc2ccc(N(C)C)cc2)C1 ZINC001323324500 934387425 /nfs/dbraw/zinc/38/74/25/934387425.db2.gz WGGMNZYHOGFINX-HOTGVXAUSA-N 1 0 278.465 3.469 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+]C(C)(C)CF)cc1 ZINC001326637643 934996236 /nfs/dbraw/zinc/99/62/36/934996236.db2.gz QQLSJRRELRNCBC-WAYWQWQTSA-N 1 0 250.361 3.104 20 10 CGCDRO CSC1(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC001328772542 935167639 /nfs/dbraw/zinc/16/76/39/935167639.db2.gz UNQYCPTUKSPWBT-UHFFFAOYSA-N 1 0 286.391 3.016 20 10 CGCDRO C[C@@H]1C[C@H](C)C[N@@H+](CCSc2nccs2)C1 ZINC001333275157 935521956 /nfs/dbraw/zinc/52/19/56/935521956.db2.gz AHJVIWNYZHBIAA-PHIMTYICSA-N 1 0 256.440 3.213 20 10 CGCDRO Cl/C=C/C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001335133867 936131032 /nfs/dbraw/zinc/13/10/32/936131032.db2.gz LLJAXDRQFMZITE-FPYGCLRLSA-N 1 0 250.773 3.129 20 10 CGCDRO Cc1ccccc1OCCC[NH2+]Cc1ccc(N)cc1 ZINC001336117379 936175915 /nfs/dbraw/zinc/17/59/15/936175915.db2.gz LLWBWQXGAOVRJP-UHFFFAOYSA-N 1 0 270.376 3.136 20 10 CGCDRO CO[C@H](C[NH2+]Cc1ccc2c(c1)CCCO2)c1ccccc1 ZINC001473953283 937832418 /nfs/dbraw/zinc/83/24/18/937832418.db2.gz KNUGNEOFJWVNNO-LJQANCHMSA-N 1 0 297.398 3.489 20 10 CGCDRO CO[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)C1CCCCC1 ZINC001474222823 937844989 /nfs/dbraw/zinc/84/49/89/937844989.db2.gz JRHYHSFXBUSAFL-GOSISDBHSA-N 1 0 289.419 3.306 20 10 CGCDRO Cc1cc(CC[NH2+]Cc2ccon2)c(C)n1-c1ccccc1 ZINC001474227390 937845147 /nfs/dbraw/zinc/84/51/47/937845147.db2.gz KPAWRRGLCWTHEX-UHFFFAOYSA-N 1 0 295.386 3.414 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@H+]1CCS[C@@H](C)[C@@H]1C ZINC001474368935 937854790 /nfs/dbraw/zinc/85/47/90/937854790.db2.gz CUIGGPPTAIIYCW-KBPBESRZSA-N 1 0 278.465 3.387 20 10 CGCDRO CC(C)c1ccc(O)c(C[N@H+]2CCC[C@@H]2C[C@H](C)O)c1 ZINC001474369777 937855093 /nfs/dbraw/zinc/85/50/93/937855093.db2.gz MFFDFHZYCLJAJL-XJKSGUPXSA-N 1 0 277.408 3.251 20 10 CGCDRO COc1cc(C)c(C[N@H+](C)[C@@H](C)c2ccco2)c(O)c1 ZINC001474401448 937857675 /nfs/dbraw/zinc/85/76/75/937857675.db2.gz NWWPOPBKSZKZCN-LBPRGKRZSA-N 1 0 275.348 3.495 20 10 CGCDRO CC[C@H](C)[C@H](C[NH2+]Cc1ccc(N(C)C)cc1C)OC ZINC001474535815 937865398 /nfs/dbraw/zinc/86/53/98/937865398.db2.gz LARRVPRZETYYFA-GUYCJALGSA-N 1 0 278.440 3.212 20 10 CGCDRO CCC[C@H](C[NH2+]Cc1ccc(N(C)C)cc1C)OCC ZINC001474647655 937872770 /nfs/dbraw/zinc/87/27/70/937872770.db2.gz RVYNQSUTSXHSJD-QGZVFWFLSA-N 1 0 278.440 3.356 20 10 CGCDRO CCC[C@@H](C)CC[NH2+]Cc1cc(OC)ccc1O ZINC001474687287 937875236 /nfs/dbraw/zinc/87/52/36/937875236.db2.gz DTODDPINDYMLFO-GFCCVEGCSA-N 1 0 251.370 3.317 20 10 CGCDRO CSCC(C)(C)[NH2+]Cc1ccc(Cl)cc1O ZINC001474740762 937878365 /nfs/dbraw/zinc/87/83/65/937878365.db2.gz OVRIBHGIHWQWFE-UHFFFAOYSA-N 1 0 259.802 3.277 20 10 CGCDRO CO[C@H]1CC[C@H](C)[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC001560065254 938243021 /nfs/dbraw/zinc/24/30/21/938243021.db2.gz INTMISGCWUKFBJ-HOCLYGCPSA-N 1 0 276.424 3.060 20 10 CGCDRO COC[C@@H](C[NH2+]Cc1c(C)c2ccccc2n1C)C(C)C ZINC001560600675 938264730 /nfs/dbraw/zinc/26/47/30/938264730.db2.gz WQHOUHMEEHZKAH-OAHLLOKOSA-N 1 0 288.435 3.495 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC001560659172 938268749 /nfs/dbraw/zinc/26/87/49/938268749.db2.gz ZXURVOWCVXDSER-CQSZACIVSA-N 1 0 276.424 3.060 20 10 CGCDRO C[C@@H](CC[NH2+]Cc1cccc(Cl)c1[O-])[NH+]1CCCCC1 ZINC001560752103 938273845 /nfs/dbraw/zinc/27/38/45/938273845.db2.gz ZGIMMRPXHXZUPT-ZDUSSCGKSA-N 1 0 296.842 3.400 20 10 CGCDRO [O-]c1cc(Cl)ccc1C[NH2+][C@@]12C[C@@H]1CCCC2 ZINC001560967618 938287147 /nfs/dbraw/zinc/28/71/47/938287147.db2.gz MSGLGYFZKVRAEI-FZMZJTMJSA-N 1 0 251.757 3.468 20 10 CGCDRO CC(C)[N@H+](CCC[NH2+]C1CC1)Cc1ccc(N(C)C)cc1 ZINC001575690634 962413342 /nfs/dbraw/zinc/41/33/42/962413342.db2.gz MWAQIEIHRZCCRW-UHFFFAOYSA-N 1 0 289.467 3.105 20 10 CGCDRO CCOc1ccc(C[NH2+]Cc2ccc(N)cc2)cc1F ZINC001578179431 962578956 /nfs/dbraw/zinc/57/89/56/962578956.db2.gz KAPUYFFISGRQQA-UHFFFAOYSA-N 1 0 274.339 3.096 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CC[C@@H]2CCC[NH2+]CC2)c(Cl)c1 ZINC001579638455 962646715 /nfs/dbraw/zinc/64/67/15/962646715.db2.gz XYBSREONYYRJNU-CYBMUJFWSA-N 1 0 296.842 3.223 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccc(F)cn1 ZINC000092743054 345856081 /nfs/dbraw/zinc/85/60/81/345856081.db2.gz NDUPPNCNQFDFPE-LLVKDONJSA-N 1 0 291.345 3.277 20 10 CGCDRO CCc1ncc(C[N@H+](C)Cc2ccccc2O)s1 ZINC000091956477 345826545 /nfs/dbraw/zinc/82/65/45/345826545.db2.gz AMHMWFBSXFIVGB-UHFFFAOYSA-N 1 0 262.378 3.043 20 10 CGCDRO Cc1ccc(O)c(C[N@H+](CCO)[C@H]2CCc3ccccc32)c1 ZINC000093388030 345876629 /nfs/dbraw/zinc/87/66/29/345876629.db2.gz GMHOQLPUJGTCLT-SFHVURJKSA-N 1 0 297.398 3.182 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)[C@H](CCO)c2ccccc2)cc1 ZINC000093442282 345879060 /nfs/dbraw/zinc/87/90/60/345879060.db2.gz YSNLNVGHSMLGPA-LJQANCHMSA-N 1 0 298.430 3.308 20 10 CGCDRO CCOc1ccc(C[N@H+](C)Cc2ccccc2O)cc1 ZINC000178857248 346252520 /nfs/dbraw/zinc/25/25/20/346252520.db2.gz WUZJVUCGJIKDLX-UHFFFAOYSA-N 1 0 271.360 3.423 20 10 CGCDRO COCCC(C)(C)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000183936343 346257480 /nfs/dbraw/zinc/25/74/80/346257480.db2.gz UYKWQLNWNHOKIA-CQSZACIVSA-N 1 0 278.440 3.466 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H](C)CCCO)c1cc(Cl)ccc1O ZINC000296603846 296127177 /nfs/dbraw/zinc/12/71/77/296127177.db2.gz VUAYKGJIKXWIQW-WDEREUQCSA-N 1 0 271.788 3.105 20 10 CGCDRO CN(C)c1ccc(CNc2ccc(C[NH+](C)C)cc2)cc1 ZINC000037141152 369067565 /nfs/dbraw/zinc/06/75/65/369067565.db2.gz UNSZZISLFAUPPI-UHFFFAOYSA-N 1 0 283.419 3.426 20 10 CGCDRO C[N@H+](Cc1c[nH]nc1-c1cccs1)Cc1ccccc1O ZINC000091956681 370083750 /nfs/dbraw/zinc/08/37/50/370083750.db2.gz JGGMRYNJVOWGHW-UHFFFAOYSA-N 1 0 299.399 3.476 20 10 CGCDRO COc1ccc(C[N@H+](C)Cc2cc(C)ccc2O)cc1O ZINC000092405188 370096913 /nfs/dbraw/zinc/09/69/13/370096913.db2.gz BXRGYRAVHXJQDT-UHFFFAOYSA-N 1 0 287.359 3.047 20 10 CGCDRO CCC[N@H+](Cc1nccs1)Cc1ccccc1O ZINC000135111052 371391364 /nfs/dbraw/zinc/39/13/64/371391364.db2.gz UNZCQBOKWNWAQN-UHFFFAOYSA-N 1 0 262.378 3.261 20 10 CGCDRO COCc1ccc([C@@H]2CCC[N@@H+]2Cc2ccccc2O)o1 ZINC000137064012 371491184 /nfs/dbraw/zinc/49/11/84/371491184.db2.gz OEGKFKDSVCWYCK-HNNXBMFYSA-N 1 0 287.359 3.469 20 10 CGCDRO Cc1cc(O)c(C[NH2+]Cc2noc3c2CCCC3)cc1C ZINC000288561190 371740963 /nfs/dbraw/zinc/74/09/63/371740963.db2.gz YQZYEQIRLSVZON-UHFFFAOYSA-N 1 0 286.375 3.166 20 10 CGCDRO CCOc1cccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)c1O ZINC000156105730 371962321 /nfs/dbraw/zinc/96/23/21/371962321.db2.gz TZANRRYNBHTKAG-BETUJISGSA-N 1 0 261.365 3.023 20 10 CGCDRO CC[C@H]([NH2+]CC[C@@H]1CCCCO1)c1ccccc1O ZINC000159573294 372157082 /nfs/dbraw/zinc/15/70/82/372157082.db2.gz ORUTXEWCRBWJFJ-ZFWWWQNUSA-N 1 0 263.381 3.392 20 10 CGCDRO C[C@H]([NH2+][C@H]1c2ccccc2C[C@@H]1O)c1ccc(N(C)C)cc1 ZINC000268902272 299430024 /nfs/dbraw/zinc/43/00/24/299430024.db2.gz BMCHVTFAQBPGQF-AGRHKRQWSA-N 1 0 296.414 3.062 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](C)N(C)C2CC2)c(O)c1 ZINC000293565202 372413028 /nfs/dbraw/zinc/41/30/28/372413028.db2.gz DCUIRYRJIJXYJD-KGLIPLIRSA-N 1 0 276.424 3.142 20 10 CGCDRO Cc1cc(C[NH2+][C@H](CCO)c2ccccc2)ccc1N(C)C ZINC000293775899 372477678 /nfs/dbraw/zinc/47/76/78/372477678.db2.gz LHUZCWPIRCIPSE-GOSISDBHSA-N 1 0 298.430 3.274 20 10 CGCDRO C[C@H](O)CC[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000293613593 372425090 /nfs/dbraw/zinc/42/50/90/372425090.db2.gz GSRTVKBOYDUUJV-YJBOKZPZSA-N 1 0 299.414 3.427 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CC2(O)CCCCC2)c(O)c1 ZINC000293910881 372521164 /nfs/dbraw/zinc/52/11/64/372521164.db2.gz WVZJQEAZRSCOGW-CQSZACIVSA-N 1 0 277.408 3.355 20 10 CGCDRO [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@H]1CCSC1 ZINC000294811610 372672827 /nfs/dbraw/zinc/67/28/27/372672827.db2.gz WTYHNTZFIIHGSP-MRVPVSSYSA-N 1 0 275.776 3.027 20 10 CGCDRO CCC[C@H](C[NH2+]Cc1ccc(OC)c(COCC)c1)OC ZINC000295100271 372692241 /nfs/dbraw/zinc/69/22/41/372692241.db2.gz KINBGLWLNFKJCF-MRXNPFEDSA-N 1 0 295.423 3.136 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccco1 ZINC000172112422 372908156 /nfs/dbraw/zinc/90/81/56/372908156.db2.gz IVFQNMPMSBULJA-LLVKDONJSA-N 1 0 262.328 3.336 20 10 CGCDRO CCn1cc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)cc2O)cn1 ZINC000295876051 372943799 /nfs/dbraw/zinc/94/37/99/372943799.db2.gz GOBJKNSLTMWAFW-OLZOCXBDSA-N 1 0 273.380 3.329 20 10 CGCDRO CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(C)cc1O ZINC000296373454 373109020 /nfs/dbraw/zinc/10/90/20/373109020.db2.gz JGWFKXOTQKKKPE-BTFYYFJDSA-N 1 0 288.435 3.367 20 10 CGCDRO C[C@H]([NH2+][C@H]1CC[C@@H](CO)C1)c1cc2c(cc1O)CCCC2 ZINC000296579485 373183884 /nfs/dbraw/zinc/18/38/84/373183884.db2.gz UFMLETWHZVNUAV-ZENOOKHLSA-N 1 0 289.419 3.083 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]CC1CC(F)(F)C1)CC2 ZINC000297472051 373272045 /nfs/dbraw/zinc/27/20/45/373272045.db2.gz YRPSXQIRXMJNPK-LLVKDONJSA-N 1 0 253.292 3.014 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]CCCOC1CCCC1)CC2 ZINC000297651837 373276779 /nfs/dbraw/zinc/27/67/79/373276779.db2.gz KFTVIFJHKUEBQF-OAHLLOKOSA-N 1 0 275.392 3.318 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CC[C@H](C)CCO)cc1 ZINC000297195894 373261579 /nfs/dbraw/zinc/26/15/79/373261579.db2.gz FSRUXOXWVDPNBO-LSDHHAIUSA-N 1 0 278.440 3.202 20 10 CGCDRO CCc1ccc([C@@H](O)C[NH2+][C@H]2CCc3cccc(O)c32)cc1 ZINC000297298317 373265500 /nfs/dbraw/zinc/26/55/00/373265500.db2.gz MEYJTQDTKPDJPI-WMZOPIPTSA-N 1 0 297.398 3.265 20 10 CGCDRO CCOC1(C)CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000298273748 373293131 /nfs/dbraw/zinc/29/31/31/373293131.db2.gz NZEFIENYDMTXKU-UHFFFAOYSA-N 1 0 276.424 3.144 20 10 CGCDRO CCc1noc(CC)c1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297778730 373281935 /nfs/dbraw/zinc/28/19/35/373281935.db2.gz PMLFIESFCYCJAC-AWEZNQCLSA-N 1 0 286.375 3.282 20 10 CGCDRO C[C@H]([NH2+]C1Cc2ccccc2C1)c1ccccc1O ZINC000179888065 373934297 /nfs/dbraw/zinc/93/42/97/373934297.db2.gz XNYCTYUNKQEZRI-LBPRGKRZSA-N 1 0 253.345 3.210 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000180836955 374049867 /nfs/dbraw/zinc/04/98/67/374049867.db2.gz PHSJJFJILZHHND-CQSZACIVSA-N 1 0 279.355 3.113 20 10 CGCDRO CC[C@H]([NH2+]CCc1c(C)noc1C)c1ccccc1O ZINC000183321185 374402421 /nfs/dbraw/zinc/40/24/21/374402421.db2.gz IIKIOENLEPYJON-HNNXBMFYSA-N 1 0 274.364 3.280 20 10 CGCDRO C[C@H]([NH2+][C@H](Cc1ccccc1)CN(C)C)c1ccccc1O ZINC000183435128 374414686 /nfs/dbraw/zinc/41/46/86/374414686.db2.gz LIYHTNIHTBCFAX-DOTOQJQBSA-N 1 0 298.430 3.216 20 10 CGCDRO C[C@@H]([NH2+]C[C@@](C)(O)c1cccs1)c1ccccc1O ZINC000183524395 374425072 /nfs/dbraw/zinc/42/50/72/374425072.db2.gz DBBBKHXHJZEVHS-IAQYHMDHSA-N 1 0 277.389 3.012 20 10 CGCDRO COC[C@H]([NH2+][C@H](C)c1ccccc1O)c1ccc(C)o1 ZINC000183541214 374426323 /nfs/dbraw/zinc/42/63/23/374426323.db2.gz GHVWDBGPPDMZDM-OCCSQVGLSA-N 1 0 275.348 3.332 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1COC2(CCCCC2)O1)c1ccccc1O ZINC000183645098 374438136 /nfs/dbraw/zinc/43/81/36/374438136.db2.gz SUHKERCRGMNWEQ-ZIAGYGMSSA-N 1 0 291.391 3.119 20 10 CGCDRO C[C@H]([NH2+][C@H]1CC(C)(C)OC1(C)C)c1ccccc1O ZINC000183714551 374444490 /nfs/dbraw/zinc/44/44/90/374444490.db2.gz KDGLQZOTSMJODG-FZMZJTMJSA-N 1 0 263.381 3.389 20 10 CGCDRO Cc1cccc(C[N@@H+](C)[C@H](C)c2cccnc2)c1O ZINC000183726431 374446473 /nfs/dbraw/zinc/44/64/73/374446473.db2.gz SJCWVTYIFLIHCK-CYBMUJFWSA-N 1 0 256.349 3.289 20 10 CGCDRO CCC[N@H+](Cc1ccccc1O)[C@@H](C)c1cnccn1 ZINC000184590017 374542370 /nfs/dbraw/zinc/54/23/70/374542370.db2.gz FKEOJVGIVWGAQP-ZDUSSCGKSA-N 1 0 271.364 3.155 20 10 CGCDRO COCCCC[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000185037407 374579148 /nfs/dbraw/zinc/57/91/48/374579148.db2.gz ITTCSFZNOJPWGI-ZDUSSCGKSA-N 1 0 277.408 3.348 20 10 CGCDRO Cc1nccn1CCCC[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000185545481 374685259 /nfs/dbraw/zinc/68/52/59/374685259.db2.gz TYLRMVRGORCXOH-LBPRGKRZSA-N 1 0 291.370 3.167 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)CC(C)(C)OC)c1 ZINC000185564466 374688375 /nfs/dbraw/zinc/68/83/75/374688375.db2.gz BEKWNJBBSWLRKY-NEPJUHHUSA-N 1 0 281.396 3.255 20 10 CGCDRO CC[C@H](N[C@H]1CC[NH2+]C12CCC2)c1cc(Cl)ccc1O ZINC000530215234 375939413 /nfs/dbraw/zinc/93/94/13/375939413.db2.gz FNWKGGWXPGNTHS-ZFWWWQNUSA-N 1 0 294.826 3.371 20 10 CGCDRO COc1ccc(C[NH2+]CC2CCSCC2)cc1C ZINC000134607914 542083691 /nfs/dbraw/zinc/08/36/91/542083691.db2.gz QZPDZUWRIZAUIA-UHFFFAOYSA-N 1 0 265.422 3.236 20 10 CGCDRO COc1ccc(F)cc1C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000237173105 376734675 /nfs/dbraw/zinc/73/46/75/376734675.db2.gz XBOBAKVAJXROSB-UHFFFAOYSA-N 1 0 288.366 3.190 20 10 CGCDRO COc1cccc(C[N@H+](C)Cc2ccc(F)cc2F)c1O ZINC000271048437 378438040 /nfs/dbraw/zinc/43/80/40/378438040.db2.gz TXILMWBOGIPKDC-UHFFFAOYSA-N 1 0 293.313 3.311 20 10 CGCDRO COC1CCC([N@H+](C)Cc2c(O)cccc2Cl)CC1 ZINC000271200842 378482190 /nfs/dbraw/zinc/48/21/90/378482190.db2.gz TWVRXAMZFZFLTH-UHFFFAOYSA-N 1 0 283.799 3.435 20 10 CGCDRO Cc1cccc(C[NH+]2CCC(OC(C)(C)C)CC2)c1O ZINC000271714492 378500463 /nfs/dbraw/zinc/50/04/63/378500463.db2.gz HWVWBADJLNOEFX-UHFFFAOYSA-N 1 0 277.408 3.480 20 10 CGCDRO Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2C[C@H](C)O)c1O ZINC000271792112 378504246 /nfs/dbraw/zinc/50/42/46/378504246.db2.gz JGVLSZGDHKXUFD-SMDDNHRTSA-N 1 0 283.799 3.089 20 10 CGCDRO CCc1noc(C)c1C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000271777663 378504254 /nfs/dbraw/zinc/50/42/54/378504254.db2.gz FIKIEXMVFAMZNU-JTQLQIEISA-N 1 0 290.363 3.110 20 10 CGCDRO Cc1cc(Cl)cc(C[N@H+]2CCC[C@H]2C[C@@H](C)O)c1O ZINC000271792111 378505036 /nfs/dbraw/zinc/50/50/36/378505036.db2.gz JGVLSZGDHKXUFD-RISCZKNCSA-N 1 0 283.799 3.089 20 10 CGCDRO CC(C)[C@@H](O)C1(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000271903991 378511262 /nfs/dbraw/zinc/51/12/62/378511262.db2.gz WBXXCVSJNYPSMD-WMLDXEAASA-N 1 0 290.451 3.200 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCO[C@@H](CC(C)C)C2)c1 ZINC000272019981 378547120 /nfs/dbraw/zinc/54/71/20/378547120.db2.gz RQESKDCSKUTRMF-CVEARBPZSA-N 1 0 277.408 3.384 20 10 CGCDRO CCC1(C[NH2+]Cc2ccc(N(C)C)c(F)c2)CCOCC1 ZINC000272734739 378697098 /nfs/dbraw/zinc/69/70/98/378697098.db2.gz PUDZYYBELNVZRV-UHFFFAOYSA-N 1 0 294.414 3.188 20 10 CGCDRO CCn1cnnc1C[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000273299244 378740479 /nfs/dbraw/zinc/74/04/79/378740479.db2.gz AWRRSRIZTTVQHK-LBPRGKRZSA-N 1 0 296.374 3.008 20 10 CGCDRO CCN1CCC([NH2+][C@H](C)c2ccc(C)c(C)c2O)CC1 ZINC000273300345 378740949 /nfs/dbraw/zinc/74/09/49/378740949.db2.gz BFJOFNHKWNQXTP-CQSZACIVSA-N 1 0 276.424 3.144 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCn2cnc3ccccc32)c(O)c1 ZINC000273423268 378745811 /nfs/dbraw/zinc/74/58/11/378745811.db2.gz SPPLROHPPLNRPG-CQSZACIVSA-N 1 0 295.386 3.401 20 10 CGCDRO Cc1n[nH]cc1CCC[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000273405890 378746646 /nfs/dbraw/zinc/74/66/46/378746646.db2.gz OJXSBHWHMSRDMA-AWEZNQCLSA-N 1 0 287.407 3.324 20 10 CGCDRO C[C@@H]([NH2+]CCNc1ccccn1)c1cc(Cl)ccc1O ZINC000273467955 378747808 /nfs/dbraw/zinc/74/78/08/378747808.db2.gz FDVOVPRBVBJDAA-LLVKDONJSA-N 1 0 291.782 3.203 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2nnc(C(C)C)[nH]2)c1 ZINC000273464427 378748718 /nfs/dbraw/zinc/74/87/18/378748718.db2.gz IPYLBGWUZZUFRH-NWDGAFQWSA-N 1 0 288.395 3.354 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCOC3(CCC3)C2)c1 ZINC000273530906 378752766 /nfs/dbraw/zinc/75/27/66/378752766.db2.gz WHPAQLBVUGHCKZ-ZIAGYGMSSA-N 1 0 275.392 3.453 20 10 CGCDRO Cc1ccc([C@H](O)C[NH2+][C@H](C)c2ccc(C)c(C)c2O)o1 ZINC000273567972 378753676 /nfs/dbraw/zinc/75/36/76/378753676.db2.gz JZQONGSEASMGFO-UKRRQHHQSA-N 1 0 289.375 3.295 20 10 CGCDRO C[C@H]([NH2+]CCOCC1CC1)c1cc(Cl)ccc1O ZINC000273586913 378753838 /nfs/dbraw/zinc/75/38/38/378753838.db2.gz OAGJYJKXJHCWJW-JTQLQIEISA-N 1 0 269.772 3.123 20 10 CGCDRO CC(C)[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2O)CCO1 ZINC000272815083 378707796 /nfs/dbraw/zinc/70/77/96/378707796.db2.gz DXGAKDMWEHAPSF-HEHGZKQESA-N 1 0 263.381 3.246 20 10 CGCDRO CO[C@@H](C[NH2+][C@H](C)c1cc(C)ccc1O)C(C)C ZINC000273609113 378756209 /nfs/dbraw/zinc/75/62/09/378756209.db2.gz VEEGUSOBZAAWKJ-DOMZBBRYSA-N 1 0 251.370 3.022 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](C)C[C@@H](C)O)c(O)c1C ZINC000273615566 378756268 /nfs/dbraw/zinc/75/62/68/378756268.db2.gz XDWOZUDRTPZQDL-QKCSRTOESA-N 1 0 265.397 3.067 20 10 CGCDRO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1cc(C)c(C)cc1O ZINC000371957281 379183268 /nfs/dbraw/zinc/18/32/68/379183268.db2.gz QKLQVWMKRYQQGK-KRWDZBQOSA-N 1 0 299.418 3.388 20 10 CGCDRO [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000373224275 379245763 /nfs/dbraw/zinc/24/57/63/379245763.db2.gz RJTGPDBGQIEQPD-ZDUSSCGKSA-N 1 0 295.810 3.294 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2COc3ccc(C)cc32)c1 ZINC000373269055 379250059 /nfs/dbraw/zinc/25/00/59/379250059.db2.gz YKLCFPJSZVGRAB-BLLLJJGKSA-N 1 0 299.370 3.494 20 10 CGCDRO Cc1cccc(C[NH+]2CCC(c3ccccn3)CC2)c1O ZINC000376153808 379524086 /nfs/dbraw/zinc/52/40/86/379524086.db2.gz ZLQYFHQSVZZSEY-UHFFFAOYSA-N 1 0 282.387 3.475 20 10 CGCDRO CC1=C(Br)C[N@H+](Cc2ccccc2O)CC1 ZINC000281249130 379826000 /nfs/dbraw/zinc/82/60/00/379826000.db2.gz XANPUPPCSXLQPY-UHFFFAOYSA-N 1 0 282.181 3.267 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@]2(CO)CCCc3ccccc32)c1 ZINC000282401428 379912701 /nfs/dbraw/zinc/91/27/01/379912701.db2.gz PPXCOXLHPYUEAT-IBGZPJMESA-N 1 0 297.398 3.014 20 10 CGCDRO CCCC[N@H+](CCC(=O)CC)Cc1ccccc1O ZINC000282514697 379936728 /nfs/dbraw/zinc/93/67/28/379936728.db2.gz SMPZWILRVJSOHY-UHFFFAOYSA-N 1 0 263.381 3.364 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCCC23CCOCC3)c1 ZINC000282535596 379940005 /nfs/dbraw/zinc/94/00/05/379940005.db2.gz BTTNQNIJPWBVOR-MRXNPFEDSA-N 1 0 275.392 3.140 20 10 CGCDRO C[C@@H]([NH2+]CCC1(O)CCC1)c1cc2c(cc1O)CCCC2 ZINC000284380335 380139300 /nfs/dbraw/zinc/13/93/00/380139300.db2.gz OKIMPNAOFUNXEW-CYBMUJFWSA-N 1 0 289.419 3.227 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2C[C@@H](N3CCCC3)C[C@@H]2C)cc1C ZINC000285264596 380144215 /nfs/dbraw/zinc/14/42/15/380144215.db2.gz XYUPBUJHTMOGCD-RDJZCZTQSA-N 1 0 288.435 3.068 20 10 CGCDRO Oc1cccc(Cl)c1C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000285331892 380148537 /nfs/dbraw/zinc/14/85/37/380148537.db2.gz XNKOQCLWPNQCFX-UKRRQHHQSA-N 1 0 281.783 3.189 20 10 CGCDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1cc[nH]c1 ZINC000355113299 380579704 /nfs/dbraw/zinc/57/97/04/380579704.db2.gz FJBCZLFPEFKYIU-UHFFFAOYSA-N 1 0 253.349 3.105 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C2CC(N3CCCCC3)C2)c1 ZINC000366433582 382308812 /nfs/dbraw/zinc/30/88/12/382308812.db2.gz OOZYUZNSGXWUNY-QQFBHYJXSA-N 1 0 288.435 3.368 20 10 CGCDRO CO[C@@H](C[NH2+][C@H](C)c1cc(C)ccc1O)C(C)(C)C ZINC000185617494 262062336 /nfs/dbraw/zinc/06/23/36/262062336.db2.gz XALRBNFRKRUQFE-DOMZBBRYSA-N 1 0 265.397 3.412 20 10 CGCDRO C[C@@H]([NH2+]CC[C@@H]1CCCCO1)c1cc(F)ccc1O ZINC000186516115 262316150 /nfs/dbraw/zinc/31/61/50/262316150.db2.gz JSWYROUATFGDMQ-YPMHNXCESA-N 1 0 267.344 3.141 20 10 CGCDRO Cc1cnc(CC[N@@H+](C)Cc2ccc(N(C)C)cc2)s1 ZINC000093773432 392239349 /nfs/dbraw/zinc/23/93/49/392239349.db2.gz CXDNUJUJMFMQAV-UHFFFAOYSA-N 1 0 289.448 3.192 20 10 CGCDRO Cc1ccc(O)c(C[NH+]2CCN(c3cccs3)CC2)c1 ZINC000093692278 392239427 /nfs/dbraw/zinc/23/94/27/392239427.db2.gz QAYKDHXHUDMYDG-UHFFFAOYSA-N 1 0 288.416 3.084 20 10 CGCDRO Oc1cccc2c1CC[C@@H]2[NH2+]Cc1ccc2c(c1)CCO2 ZINC000105486438 392291502 /nfs/dbraw/zinc/29/15/02/392291502.db2.gz UARQMQJICQDYSO-INIZCTEOSA-N 1 0 281.355 3.104 20 10 CGCDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccccc1O ZINC000109773530 392372481 /nfs/dbraw/zinc/37/24/81/392372481.db2.gz OVBXBDQCVSPLFG-LBPRGKRZSA-N 1 0 286.331 3.493 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1cncc(F)c1 ZINC000122948172 392425171 /nfs/dbraw/zinc/42/51/71/392425171.db2.gz ACBXZPIJWYNDAQ-ZDUSSCGKSA-N 1 0 299.393 3.454 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCc2c[nH]nc2C1)c1ccc(N(C)C)cc1 ZINC000374469356 392680050 /nfs/dbraw/zinc/68/00/50/392680050.db2.gz QBLAWPILYOAXHH-RDJZCZTQSA-N 1 0 298.434 3.074 20 10 CGCDRO CCOc1cccc(C[N@H+](C)Cc2scnc2C)c1O ZINC000179427153 392699747 /nfs/dbraw/zinc/69/97/47/392699747.db2.gz VFOAMPNMHGPFES-UHFFFAOYSA-N 1 0 292.404 3.188 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1ccc(N(C)C)cc1 ZINC000271511775 393251768 /nfs/dbraw/zinc/25/17/68/393251768.db2.gz NWNDCUZTYIPFEA-LRDDRELGSA-N 1 0 284.407 3.204 20 10 CGCDRO C[C@@H]([NH2+]Cc1cc(Cl)ccc1O)c1cccnc1 ZINC000020127711 171014096 /nfs/dbraw/zinc/01/40/96/171014096.db2.gz QSQZWLVVWMYUMO-SNVBAGLBSA-N 1 0 262.740 3.291 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@H]2CCCc3occc32)c1 ZINC000020205150 171070852 /nfs/dbraw/zinc/07/08/52/171070852.db2.gz PSXCLAILEMVWDQ-AWEZNQCLSA-N 1 0 273.332 3.161 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](C)N1CCCCC1)c1ccccc1O ZINC000038028406 174016076 /nfs/dbraw/zinc/01/60/76/174016076.db2.gz USJOBFYQYOVMNU-ZBFHGGJFSA-N 1 0 276.424 3.307 20 10 CGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]C2CC2)c1O ZINC000186905662 260023226 /nfs/dbraw/zinc/02/32/26/260023226.db2.gz ILCSJXVIQQQBOK-QMMMGPOBSA-N 1 0 270.170 3.276 20 10 CGCDRO Cc1cccc(C[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000037362821 260095022 /nfs/dbraw/zinc/09/50/22/260095022.db2.gz CICCVZMHTMCTIC-UHFFFAOYSA-N 1 0 253.345 3.220 20 10 CGCDRO C[C@H]([NH2+][C@@H](CCO)C(C)(C)C)c1ccc(N(C)C)cc1 ZINC000158070355 260976529 /nfs/dbraw/zinc/97/65/29/260976529.db2.gz QENOOBCKENNQCQ-BBRMVZONSA-N 1 0 278.440 3.200 20 10 CGCDRO CC[C@@H]([NH2+]CCc1ccccc1O)c1ccccc1O ZINC000155558300 261103612 /nfs/dbraw/zinc/10/36/12/261103612.db2.gz ZUMFYOZBPGMOMS-OAHLLOKOSA-N 1 0 271.360 3.381 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)Cc1cc(C)n[nH]1)c1ccccc1O ZINC000156771032 261131522 /nfs/dbraw/zinc/13/15/22/261131522.db2.gz RRIJQTZFEOSKKT-ABAIWWIYSA-N 1 0 273.380 3.096 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C2CCN(CC)CC2)cc1 ZINC000159274039 261182612 /nfs/dbraw/zinc/18/26/12/261182612.db2.gz QAANFWGDTIGQPG-HNNXBMFYSA-N 1 0 289.467 3.278 20 10 CGCDRO CC[C@@H]([NH2+]C1CCN(CC)CC1)c1ccc(N(C)C)cc1 ZINC000159294236 261183617 /nfs/dbraw/zinc/18/36/17/261183617.db2.gz SMJWESPSNRPQNP-GOSISDBHSA-N 1 0 289.467 3.278 20 10 CGCDRO COc1ccc(C[N@H+](C)Cc2cccc(OC)c2O)cc1 ZINC000159864349 261196637 /nfs/dbraw/zinc/19/66/37/261196637.db2.gz PHYQABQKOGWWFE-UHFFFAOYSA-N 1 0 287.359 3.041 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C2CCC3(CC2)OCCO3)c(O)c1 ZINC000185052550 262039105 /nfs/dbraw/zinc/03/91/05/262039105.db2.gz LWWWCJNIILJSEC-ZDUSSCGKSA-N 1 0 291.391 3.037 20 10 CGCDRO CC[C@@H](C)NC(=O)CC[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000185154810 262044005 /nfs/dbraw/zinc/04/40/05/262044005.db2.gz YXSHQQKGQKCVLF-GHMZBOCLSA-N 1 0 298.814 3.001 20 10 CGCDRO Cc1nn(C)c(C)c1C[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000185276795 262048513 /nfs/dbraw/zinc/04/85/13/262048513.db2.gz NIXQVLUYQVOSBY-SECBINFHSA-N 1 0 293.798 3.247 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2c3ccccc3C[C@@H]2O)c(O)c1 ZINC000185674795 262065783 /nfs/dbraw/zinc/06/57/83/262065783.db2.gz XFNGLDYPSRORKO-IGNZVWTISA-N 1 0 283.371 3.010 20 10 CGCDRO COCCC(C)(C)C[NH2+][C@H](C)c1cc(C)ccc1O ZINC000183931490 262255820 /nfs/dbraw/zinc/25/58/20/262255820.db2.gz WKOWDXRTOKPJMV-CYBMUJFWSA-N 1 0 265.397 3.414 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)CC(C)(C)C)c1 ZINC000185481837 262304375 /nfs/dbraw/zinc/30/43/75/262304375.db2.gz OFBUSVMBEQKQHQ-QWHCGFSZSA-N 1 0 265.397 3.148 20 10 CGCDRO CSC[C@@H](C)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000293739888 263148482 /nfs/dbraw/zinc/14/84/82/263148482.db2.gz XBXFXTBNWKUYEW-SSDOTTSWSA-N 1 0 263.765 3.026 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1CC[C@H](O)C1)c1ccc2ccccc2c1O ZINC000189340093 264291201 /nfs/dbraw/zinc/29/12/01/264291201.db2.gz MDZAWIXUVZVVNW-YDHLFZDLSA-N 1 0 285.387 3.357 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H](O)c2ccccc2)c(O)c1 ZINC000293789918 264995639 /nfs/dbraw/zinc/99/56/39/264995639.db2.gz QNEZXHNPDDJNPF-YOEHRIQHSA-N 1 0 285.387 3.393 20 10 CGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H](C)c1nccnc1C ZINC000358977365 266516179 /nfs/dbraw/zinc/51/61/79/266516179.db2.gz CDYAVPSUECREJM-CQSZACIVSA-N 1 0 294.402 3.436 20 10 CGCDRO COCC[C@H]1CCCC[N@H+](Cc2cccc(C)c2O)C1 ZINC000368677121 267197463 /nfs/dbraw/zinc/19/74/63/267197463.db2.gz QCSQXGNFPWYQFM-OAHLLOKOSA-N 1 0 277.408 3.339 20 10 CGCDRO Cc1n[nH]cc1C1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000375349022 267850450 /nfs/dbraw/zinc/85/04/50/267850450.db2.gz VMRXBNMKRPXNKD-UHFFFAOYSA-N 1 0 298.434 3.164 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@H]2c2cc[nH]n2)cc1 ZINC000375620618 267879202 /nfs/dbraw/zinc/87/92/02/267879202.db2.gz XTVPHIRWOSIHBI-KRWDZBQOSA-N 1 0 284.407 3.203 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCOC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000278483921 288070871 /nfs/dbraw/zinc/07/08/71/288070871.db2.gz KOZXKSQZSGLBMZ-RRQGHBQHSA-N 1 0 276.424 3.218 20 10 CGCDRO COC(C)(C)C[C@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000183533072 327820553 /nfs/dbraw/zinc/82/05/53/327820553.db2.gz PFMFYDKBIQWULX-NWDGAFQWSA-N 1 0 251.370 3.246 20 10 CGCDRO CC[C@@H]([NH2+][C@H]1CCOC1(C)C)c1ccc(C)cc1O ZINC000296577991 328291193 /nfs/dbraw/zinc/29/11/93/328291193.db2.gz UCFCBIAMUFAIGN-HIFRSBDPSA-N 1 0 263.381 3.309 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ncccc2Cl)c1 ZINC000528440325 326952896 /nfs/dbraw/zinc/95/28/96/326952896.db2.gz XSNYVZHJOHCDIO-SNVBAGLBSA-N 1 0 292.766 3.300 20 10 CGCDRO C[N@H+](Cc1ccc(N2CCCC2)nc1)Cc1ccccc1O ZINC000091956729 327188001 /nfs/dbraw/zinc/18/80/01/327188001.db2.gz QVAZUHPQAOBLOW-UHFFFAOYSA-N 1 0 297.402 3.019 20 10 CGCDRO C[C@H]1C[C@@H](c2cccnc2)[N@H+](Cc2ccccc2O)C1 ZINC000185230338 329269131 /nfs/dbraw/zinc/26/91/31/329269131.db2.gz ASYWHVBXOWNPBB-BBRMVZONSA-N 1 0 268.360 3.370 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)c1ccc(N(C)C)cc1 ZINC000359865031 329642561 /nfs/dbraw/zinc/64/25/61/329642561.db2.gz CTLCPTYOPKAJOI-KSZLIROESA-N 1 0 288.435 3.361 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21)c1cc(F)ccc1O ZINC000248533936 329891478 /nfs/dbraw/zinc/89/14/78/329891478.db2.gz ZMASTTXXAVUUTP-SFXCNKRSSA-N 1 0 279.355 3.140 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+][C@H]2[C@@H](C)[C@H](C)O[C@H]2C)c2c1c(F)ccc2O ZINC000527998481 330299837 /nfs/dbraw/zinc/29/98/37/330299837.db2.gz BDXPNHWPHKJCHC-HOOLEVQFSA-N 1 0 293.382 3.481 20 10 CGCDRO C[C@H](CCc1ccco1)[NH2+]Cc1cc(F)ccc1O ZINC000226582021 333265366 /nfs/dbraw/zinc/26/53/66/333265366.db2.gz PMQABFCGHVHSIF-LLVKDONJSA-N 1 0 263.312 3.235 20 10 CGCDRO Oc1ccc2ccccc2c1C[N@@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000228966804 333299387 /nfs/dbraw/zinc/29/93/87/333299387.db2.gz LTTVFKLYGCMALR-SJLPKXTDSA-N 1 0 283.371 3.299 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]C[C@H]1CCN1C1CCCCC1 ZINC000529639582 333502872 /nfs/dbraw/zinc/50/28/72/333502872.db2.gz IYOHWMQWZZOPLN-MRXNPFEDSA-N 1 0 292.398 3.028 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)N[C@@H]2CC[NH2+]C23CCC3)c1O ZINC000530215519 333528223 /nfs/dbraw/zinc/52/82/23/333528223.db2.gz GZTAOXYOLUVEKC-SMDDNHRTSA-N 1 0 294.826 3.289 20 10 CGCDRO CCOC1(C)CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC000292886902 334887687 /nfs/dbraw/zinc/88/76/87/334887687.db2.gz YKKDZAJPOYZWOA-UHFFFAOYSA-N 1 0 263.381 3.092 20 10 CGCDRO CCCCOCC[NH2+][C@H](C)c1ccc(C)cc1O ZINC000040506650 520785130 /nfs/dbraw/zinc/78/51/30/520785130.db2.gz BKAARWGBPIVJJT-CYBMUJFWSA-N 1 0 251.370 3.168 20 10 CGCDRO CCC[C@@]1([NH2+]Cc2cc(Cl)cc(OC)c2O)CCOC1 ZINC000289985346 520965236 /nfs/dbraw/zinc/96/52/36/520965236.db2.gz ZXXXNQQTIOTJRE-OAHLLOKOSA-N 1 0 299.798 3.103 20 10 CGCDRO CCC(=O)CC[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000276978346 521076328 /nfs/dbraw/zinc/07/63/28/521076328.db2.gz ZCVAXCBMUXFXAG-UHFFFAOYSA-N 1 0 274.408 3.086 20 10 CGCDRO CCOc1ccc(O)c(C[N@H+](C)Cc2ccc(O)cc2)c1 ZINC000290413138 521144962 /nfs/dbraw/zinc/14/49/62/521144962.db2.gz KETLEXNOSPESHS-UHFFFAOYSA-N 1 0 287.359 3.129 20 10 CGCDRO CCC[N@H+](Cc1nc(C)c(C)o1)Cc1ccccc1O ZINC000068973520 521692850 /nfs/dbraw/zinc/69/28/50/521692850.db2.gz GHBVTUPULKIPQV-UHFFFAOYSA-N 1 0 274.364 3.409 20 10 CGCDRO C[NH+](C)CCc1ccccc1NCc1cccc(F)c1O ZINC000276109486 521816327 /nfs/dbraw/zinc/81/63/27/521816327.db2.gz ZYIPBVRBZBABJM-UHFFFAOYSA-N 1 0 288.366 3.248 20 10 CGCDRO CC[C@H](C)c1nnc([C@@H](C)[NH2+]Cc2cc(C)ccc2O)[nH]1 ZINC000277403031 522052641 /nfs/dbraw/zinc/05/26/41/522052641.db2.gz KUKDQMOTVDFSEW-NWDGAFQWSA-N 1 0 288.395 3.183 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@]2(C)CCCO)cc1F ZINC000290323604 522180022 /nfs/dbraw/zinc/18/00/22/522180022.db2.gz DEWQWFWADDUPFO-QGZVFWFLSA-N 1 0 294.414 3.019 20 10 CGCDRO CC[C@H]([NH2+]Cc1cccnc1OC)c1ccc(C)cc1O ZINC000279970158 522660533 /nfs/dbraw/zinc/66/05/33/522660533.db2.gz CYPMWWKRTVUXOA-HNNXBMFYSA-N 1 0 286.375 3.345 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccn(C)c1)c1ccc(C)cc1O ZINC000280132109 522660957 /nfs/dbraw/zinc/66/09/57/522660957.db2.gz OYZDXTSQMFMVIW-HNNXBMFYSA-N 1 0 258.365 3.280 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CSC1(C)C)c1ccccc1O ZINC000282681510 522723036 /nfs/dbraw/zinc/72/30/36/522723036.db2.gz AAGZPTMEQJWDFB-WCQYABFASA-N 1 0 251.395 3.327 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1ccc(C)cc1O ZINC000280295853 522758391 /nfs/dbraw/zinc/75/83/91/522758391.db2.gz ZNMGLYYRWJNMOM-DZKIICNBSA-N 1 0 277.408 3.292 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCc2nc(C)ncc2C1)c1ccccc1O ZINC000364773259 522760739 /nfs/dbraw/zinc/76/07/39/522760739.db2.gz DKYKVPXXGIBRMZ-HOCLYGCPSA-N 1 0 297.402 3.089 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1)c1ccc(C)cc1O ZINC000279921042 522873860 /nfs/dbraw/zinc/87/38/60/522873860.db2.gz ADQACZPLMWVESH-MRXNPFEDSA-N 1 0 298.386 3.040 20 10 CGCDRO C[N@H+](Cc1cc(-c2ccccc2)ccc1O)CC1(CO)CC1 ZINC000275843247 523159576 /nfs/dbraw/zinc/15/95/76/523159576.db2.gz HDXCYXTWIUZSML-UHFFFAOYSA-N 1 0 297.398 3.264 20 10 CGCDRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000290654396 523186349 /nfs/dbraw/zinc/18/63/49/523186349.db2.gz ZFXLLIVCMBVQSG-YPMHNXCESA-N 1 0 279.380 3.172 20 10 CGCDRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000290654394 523369106 /nfs/dbraw/zinc/36/91/06/523369106.db2.gz ZFXLLIVCMBVQSG-WCQYABFASA-N 1 0 279.380 3.172 20 10 CGCDRO Cc1cccc(C[N@@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c1O ZINC000291669413 524386988 /nfs/dbraw/zinc/38/69/88/524386988.db2.gz WETPVVNYGRWESL-HOCLYGCPSA-N 1 0 275.392 3.090 20 10 CGCDRO C[C@H](C[NH2+][C@@H](C)c1ccc2ccccc2c1O)N(C)C ZINC000038088829 524496253 /nfs/dbraw/zinc/49/62/53/524496253.db2.gz NWRPECRHHCYLAD-OLZOCXBDSA-N 1 0 272.392 3.146 20 10 CGCDRO COc1ccc(O)c(C[NH2+]CCCOC2CCCCC2)c1 ZINC000020191608 524748775 /nfs/dbraw/zinc/74/87/75/524748775.db2.gz OALPJQFYWUYJAA-UHFFFAOYSA-N 1 0 293.407 3.230 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)c1 ZINC000127406490 525343432 /nfs/dbraw/zinc/34/34/32/525343432.db2.gz WRLSGFNSQCEAKC-OAHLLOKOSA-N 1 0 256.349 3.366 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2nnc(C(C)C)[nH]2)c1 ZINC000273464426 525361526 /nfs/dbraw/zinc/36/15/26/525361526.db2.gz IPYLBGWUZZUFRH-NEPJUHHUSA-N 1 0 288.395 3.354 20 10 CGCDRO C[C@@H]([NH2+]CCN(C)C)c1ccc(N2CCCCC2)c(F)c1 ZINC000286906623 525446406 /nfs/dbraw/zinc/44/64/06/525446406.db2.gz DWDCFVJOMXBRSZ-CQSZACIVSA-N 1 0 293.430 3.028 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)OCO2)c1cc(F)ccc1O ZINC000094616845 525453454 /nfs/dbraw/zinc/45/34/54/525453454.db2.gz IJZQDMOKUMQPIX-JTQLQIEISA-N 1 0 289.306 3.111 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1CCOC1)c1ccc2ccccc2c1O ZINC000037738170 525483748 /nfs/dbraw/zinc/48/37/48/525483748.db2.gz LJTPRGCWLISMEW-OLZOCXBDSA-N 1 0 271.360 3.233 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cncc(F)c1 ZINC000160553371 525525382 /nfs/dbraw/zinc/52/53/82/525525382.db2.gz UAHHSUGJPGYFPR-GFCCVEGCSA-N 1 0 273.355 3.138 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)[C@@H](O)c1ccccc1 ZINC000290238616 525613964 /nfs/dbraw/zinc/61/39/64/525613964.db2.gz JAARDHQLKCVLIB-OGHNNQOOSA-N 1 0 271.360 3.165 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCc3nccn3C2)c(O)c1C ZINC000278916574 525729406 /nfs/dbraw/zinc/72/94/06/525729406.db2.gz HJUAIIOBOJUHOS-CABCVRRESA-N 1 0 299.418 3.119 20 10 CGCDRO C[C@@]1(O)CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000129419570 525882461 /nfs/dbraw/zinc/88/24/61/525882461.db2.gz LHTKHCKWEYVIEV-GOSISDBHSA-N 1 0 288.435 3.024 20 10 CGCDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000289715060 526348633 /nfs/dbraw/zinc/34/86/33/526348633.db2.gz GVTFIWDRWQBRKO-HNNXBMFYSA-N 1 0 272.323 3.263 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H](CCO)c2cccs2)cc1 ZINC000740900672 571894864 /nfs/dbraw/zinc/89/48/64/571894864.db2.gz UWMYLPFMPAGZAL-HNNXBMFYSA-N 1 0 290.432 3.027 20 10 CGCDRO C[C@H]1C[NH+](Cc2cc3c(cc2O)CCC3)C[C@H](C)S1 ZINC000743373887 572396625 /nfs/dbraw/zinc/39/66/25/572396625.db2.gz ACKQZVCPZAWVCK-RYUDHWBXSA-N 1 0 277.433 3.207 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@]2(C)CCOC2)cc1F ZINC000740005802 572428813 /nfs/dbraw/zinc/42/88/13/572428813.db2.gz GAAFLZLSRLDQQF-KRWDZBQOSA-N 1 0 294.414 3.188 20 10 CGCDRO Oc1ccccc1C[NH2+]CCc1ccc2ccccc2n1 ZINC000725850024 572443631 /nfs/dbraw/zinc/44/36/31/572443631.db2.gz DFIPMHSOPZRMAA-UHFFFAOYSA-N 1 0 278.355 3.273 20 10 CGCDRO Cc1cc(C[NH2+]Cc2ccc3c(c2)CCO3)cc(C)c1O ZINC000725851871 572444731 /nfs/dbraw/zinc/44/47/31/572444731.db2.gz ZOKFRUWXVZQKBJ-UHFFFAOYSA-N 1 0 283.371 3.234 20 10 CGCDRO Oc1ccccc1C[N@H+](C[C@H]1CCOC1)C1CCCC1 ZINC000732204064 572451381 /nfs/dbraw/zinc/45/13/81/572451381.db2.gz BATMHOBTAXFFQR-CQSZACIVSA-N 1 0 275.392 3.173 20 10 CGCDRO COc1cccc2c1OCC[C@H]2[NH2+]Cc1cc(C)ccc1O ZINC000733331806 572557630 /nfs/dbraw/zinc/55/76/30/572557630.db2.gz ITJOEKCTPVMFSZ-OAHLLOKOSA-N 1 0 299.370 3.323 20 10 CGCDRO CC(C)C[C@H]1COCC[N@@H+]1Cc1cc2c(cc1O)CCC2 ZINC000733790222 572602996 /nfs/dbraw/zinc/60/29/96/572602996.db2.gz HTPRIZHOGPXEFG-KRWDZBQOSA-N 1 0 289.419 3.128 20 10 CGCDRO COc1ccc(C[NH2+]CCN2CCc3ccccc32)cc1C ZINC000742718727 572611575 /nfs/dbraw/zinc/61/15/75/572611575.db2.gz YHGOQSASAPGCME-UHFFFAOYSA-N 1 0 296.414 3.156 20 10 CGCDRO C[C@@H]1c2ccccc2C[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000747460815 572930517 /nfs/dbraw/zinc/93/05/17/572930517.db2.gz CDVUFKQBPFPBGU-LLVKDONJSA-N 1 0 283.327 3.198 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc([N+](=O)[O-])cc1 ZINC000749840702 573046302 /nfs/dbraw/zinc/04/63/02/573046302.db2.gz OZKBBGZELAWVJX-GFCCVEGCSA-N 1 0 298.342 3.381 20 10 CGCDRO CN1CCCc2cc(C[NH2+]C3CCCCC3)ccc21 ZINC000050285771 618088519 /nfs/dbraw/zinc/08/85/19/618088519.db2.gz DHMSAODBOGNLTQ-UHFFFAOYSA-N 1 0 258.409 3.491 20 10 CGCDRO Oc1cccc(Cl)c1C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000121241499 618100806 /nfs/dbraw/zinc/10/08/06/618100806.db2.gz BEOAZZAKOSBBDI-NSHDSACASA-N 1 0 291.782 3.148 20 10 CGCDRO COc1ccc(C[N@H+](C)C2CCCCC2)c(O)c1OC ZINC000891447754 618216431 /nfs/dbraw/zinc/21/64/31/618216431.db2.gz VSUMHOAATBKPTF-UHFFFAOYSA-N 1 0 279.380 3.174 20 10 CGCDRO CCC(C)(C)OCC[NH2+]Cc1cc(Cl)ccc1O ZINC000308693305 618341625 /nfs/dbraw/zinc/34/16/25/618341625.db2.gz MSFQPXGJHKBFQB-UHFFFAOYSA-N 1 0 271.788 3.340 20 10 CGCDRO C[C@@H]1CC[C@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000309046369 618760573 /nfs/dbraw/zinc/76/05/73/618760573.db2.gz NKRLLAVJLWJUDJ-LDYMZIIASA-N 1 0 270.170 3.043 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)c(O)c1OC ZINC000892448019 618788066 /nfs/dbraw/zinc/78/80/66/618788066.db2.gz ZPECRSKZKOMSTF-YRGRVCCFSA-N 1 0 293.407 3.324 20 10 CGCDRO C[N@H+](Cc1ccc(Br)o1)Cc1ccccc1O ZINC000179556949 618795551 /nfs/dbraw/zinc/79/55/51/618795551.db2.gz HRNQZJORROMVRB-UHFFFAOYSA-N 1 0 296.164 3.380 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)C1CC1 ZINC000177228000 618809385 /nfs/dbraw/zinc/80/93/85/618809385.db2.gz NTADBODECBISFU-CYBMUJFWSA-N 1 0 276.449 3.128 20 10 CGCDRO C[C@H]([NH2+]CCOc1cccc(F)c1)c1cc(F)ccc1O ZINC000185106397 625301742 /nfs/dbraw/zinc/30/17/42/625301742.db2.gz LMPIUAVFORFONW-NSHDSACASA-N 1 0 293.313 3.400 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)CN(C)C(C)C)c(O)c1 ZINC000311415912 618908685 /nfs/dbraw/zinc/90/86/85/618908685.db2.gz JRMKCHPPAMNCTL-UONOGXRCSA-N 1 0 264.413 3.080 20 10 CGCDRO COc1cc(Cl)cc(C[N@@H+]2C[C@H](C)C[C@H]2C)c1O ZINC000169084625 618916100 /nfs/dbraw/zinc/91/61/00/618916100.db2.gz UNDOEAWMQTZYJS-NXEZZACHSA-N 1 0 269.772 3.285 20 10 CGCDRO Cc1cc(C[NH2+]CCCSc2nccs2)cnc1F ZINC000893044328 618983667 /nfs/dbraw/zinc/98/36/67/618983667.db2.gz GLBYKJLBYBPZKW-UHFFFAOYSA-N 1 0 297.424 3.258 20 10 CGCDRO CSC1(C[NH2+]CCCSc2nccs2)CC1 ZINC000309846371 618996312 /nfs/dbraw/zinc/99/63/12/618996312.db2.gz GVEVKIYPNMCRQG-UHFFFAOYSA-N 1 0 274.480 3.111 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2CC3CCC2CC3)c(O)c1OC ZINC000893112087 618997675 /nfs/dbraw/zinc/99/76/75/618997675.db2.gz KYTOYBCRCXWSMT-YIZWMMSDSA-N 1 0 291.391 3.078 20 10 CGCDRO CC(C)[C@](C)(O)C[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000185434309 619061068 /nfs/dbraw/zinc/06/10/68/619061068.db2.gz LQRSGODKADNQGU-FZKQIMNGSA-N 1 0 291.435 3.329 20 10 CGCDRO COc1cnccc1[C@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000188786157 619087282 /nfs/dbraw/zinc/08/72/82/619087282.db2.gz GAUSZMXAOHMAGA-NEPJUHHUSA-N 1 0 272.348 3.208 20 10 CGCDRO CCOc1cccc(C[N@H+](CC)Cc2ccoc2)c1O ZINC000092935857 619153107 /nfs/dbraw/zinc/15/31/07/619153107.db2.gz KOHXKQCBUHLWPX-UHFFFAOYSA-N 1 0 275.348 3.406 20 10 CGCDRO CCC[N@H+](C)Cc1cc(Br)cc(C)c1O ZINC000162808908 619178037 /nfs/dbraw/zinc/17/80/37/619178037.db2.gz QKNWANYRFIWBMI-UHFFFAOYSA-N 1 0 272.186 3.305 20 10 CGCDRO Cc1ccc([C@@H](O)C[NH2+]Cc2ccc(N(C)C)cc2C)cc1 ZINC000840929380 619223023 /nfs/dbraw/zinc/22/30/23/619223023.db2.gz KNXYRUYARZAKEI-IBGZPJMESA-N 1 0 298.430 3.193 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CC(C)(C)[C@@H](O)C(C)C ZINC000840935895 619227024 /nfs/dbraw/zinc/22/70/24/619227024.db2.gz DKKPXMKMUHYYQM-KRWDZBQOSA-N 1 0 292.467 3.194 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CC[C@@H]1CCCCO1 ZINC000840936446 619227517 /nfs/dbraw/zinc/22/75/17/619227517.db2.gz IWJCJPNDSMQAHE-KRWDZBQOSA-N 1 0 276.424 3.110 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2C[C@@H](O)C[C@H]2c2ccccc2)cc1C ZINC000840957065 619270057 /nfs/dbraw/zinc/27/00/57/619270057.db2.gz IETOPSYYRYGCKG-ROUUACIJSA-N 1 0 297.398 3.317 20 10 CGCDRO CN1CCCc2cc(C[NH2+]Cc3ccsc3)ccc21 ZINC000058477192 619278543 /nfs/dbraw/zinc/27/85/43/619278543.db2.gz COKTUSMBVGKVBO-UHFFFAOYSA-N 1 0 272.417 3.420 20 10 CGCDRO Cc1cc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)cnc1F ZINC000893684579 619279005 /nfs/dbraw/zinc/27/90/05/619279005.db2.gz RHLLPWVZJVLIMP-CYBMUJFWSA-N 1 0 287.382 3.446 20 10 CGCDRO CCC[C@@](C)(CO)[NH2+]Cc1ccc(N(CC)CC)c(F)c1 ZINC000236943687 619374402 /nfs/dbraw/zinc/37/44/02/619374402.db2.gz IIQWISMSXBLFMH-KRWDZBQOSA-N 1 0 296.430 3.313 20 10 CGCDRO Cc1ccc(C[NH2+]CCSCCC(F)(F)F)c(O)c1 ZINC000877730013 619415760 /nfs/dbraw/zinc/41/57/60/619415760.db2.gz JRLBCKGAVIAHGH-UHFFFAOYSA-N 1 0 293.354 3.476 20 10 CGCDRO COc1cc(C)cc(C[NH2+]C[C@@H]2Cc3ccccc32)c1O ZINC000894237295 619435305 /nfs/dbraw/zinc/43/53/05/619435305.db2.gz JFPJCAOHKNLFJF-AWEZNQCLSA-N 1 0 283.371 3.139 20 10 CGCDRO COc1cc(C)cc(C[NH2+]Cc2sc(C)nc2C)c1O ZINC000894309128 619482811 /nfs/dbraw/zinc/48/28/11/619482811.db2.gz YLXCFDRRJUBCHS-UHFFFAOYSA-N 1 0 292.404 3.072 20 10 CGCDRO COc1ccc(C[NH2+]Cc2cc(C)cs2)c(O)c1OC ZINC000894713195 619608909 /nfs/dbraw/zinc/60/89/09/619608909.db2.gz YPRREOXOYLQCRX-UHFFFAOYSA-N 1 0 293.388 3.069 20 10 CGCDRO C[C@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000894748588 619619300 /nfs/dbraw/zinc/61/93/00/619619300.db2.gz UHNRWEBQEDLWQF-FZMZJTMJSA-N 1 0 299.361 3.186 20 10 CGCDRO CCCC[C@@H](COC)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000185494721 625363091 /nfs/dbraw/zinc/36/30/91/625363091.db2.gz HRQFJCSBBJGLQI-AAEUAGOBSA-N 1 0 269.360 3.387 20 10 CGCDRO COc1cc(C)cc(C[NH2+]C[C@@H](C)CC(F)(F)F)c1O ZINC000894994534 619692246 /nfs/dbraw/zinc/69/22/46/619692246.db2.gz RMTVSSQOWVWFTM-JTQLQIEISA-N 1 0 291.313 3.387 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]CCc1cc(F)cc(F)c1)CC2 ZINC000314618167 619739501 /nfs/dbraw/zinc/73/95/01/619739501.db2.gz WGBQZWXUSHZYDH-OAHLLOKOSA-N 1 0 289.325 3.490 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+][C@@H]1CCc2cccnc21 ZINC000895135485 619748306 /nfs/dbraw/zinc/74/83/06/619748306.db2.gz ABAJOKMSFIBWOE-CYBMUJFWSA-N 1 0 274.751 3.218 20 10 CGCDRO COc1cc(C)cc(C[NH2+]Cc2cnc(Cl)s2)c1O ZINC000895152335 619757999 /nfs/dbraw/zinc/75/79/99/619757999.db2.gz RSNXQOARPLSJID-UHFFFAOYSA-N 1 0 298.795 3.109 20 10 CGCDRO COc1ccc(C[NH2+]CCCC2CCC2)c(O)c1OC ZINC000895380812 619817443 /nfs/dbraw/zinc/81/74/43/619817443.db2.gz OMIXAYBSOIEWAS-UHFFFAOYSA-N 1 0 279.380 3.079 20 10 CGCDRO CCc1cccc(C[NH2+][C@@]2(c3ccccc3)C[C@@H](O)C2)c1O ZINC000895511990 619839222 /nfs/dbraw/zinc/83/92/22/619839222.db2.gz FAOSAXOYXBXOTE-IZAXUBKRSA-N 1 0 297.398 3.094 20 10 CGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@H](CF)C2)cc1 ZINC000895568708 619853690 /nfs/dbraw/zinc/85/36/90/619853690.db2.gz PTEDRNHSIIEFPK-NHZBNJEXSA-N 1 0 262.372 3.057 20 10 CGCDRO Cc1ccc(C[N@@H+]2CC[C@@H](c3nccs3)C2)c(O)c1 ZINC000895583363 619854027 /nfs/dbraw/zinc/85/40/27/619854027.db2.gz NYZDFQUMKZERHF-CYBMUJFWSA-N 1 0 274.389 3.147 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H]1CCC2(CCC2)O1 ZINC000895677963 619867500 /nfs/dbraw/zinc/86/75/00/619867500.db2.gz VYMWDDSFUVXBRK-QGZVFWFLSA-N 1 0 288.435 3.252 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000895842746 619893002 /nfs/dbraw/zinc/89/30/02/619893002.db2.gz FHVOESFPFMKNRL-NHYWBVRUSA-N 1 0 281.783 3.047 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1C[C@]1(C)Br)c1ccccc1O ZINC000895850966 619897380 /nfs/dbraw/zinc/89/73/80/619897380.db2.gz HKPUAPHKKVTDJQ-CWSCBRNRSA-N 1 0 284.197 3.216 20 10 CGCDRO Cc1cccc(CN[C@@H]2c3ccccc3OC[C@H]2F)c1O ZINC000896423523 620006852 /nfs/dbraw/zinc/00/68/52/620006852.db2.gz UANPWFBEGTXOEM-GDBMZVCRSA-N 1 0 287.334 3.262 20 10 CGCDRO Oc1ccc(F)cc1CN[C@@H]1c2ccccc2OC[C@H]1F ZINC000896423490 620007185 /nfs/dbraw/zinc/00/71/85/620007185.db2.gz SHLYDGFZJLCDHQ-CZUORRHYSA-N 1 0 291.297 3.093 20 10 CGCDRO CCc1ccc(C[NH2+]Cc2c([O-])cccc2F)cc1 ZINC000896640703 620042029 /nfs/dbraw/zinc/04/20/29/620042029.db2.gz MOWXLNUHIDINPX-UHFFFAOYSA-N 1 0 259.324 3.384 20 10 CGCDRO COc1cc(O)c(C[NH2+]C(C)(C)/C=C\Cl)cc1OC ZINC000896748474 620055244 /nfs/dbraw/zinc/05/52/44/620055244.db2.gz VOMKLRDOIYJKIV-WAYWQWQTSA-N 1 0 285.771 3.030 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCS[C@H](C)C1 ZINC000896951541 620111913 /nfs/dbraw/zinc/11/19/13/620111913.db2.gz KFBZDCBHQHDGFG-HIFRSBDPSA-N 1 0 278.465 3.435 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+][C@H]1CCSC2(CCC2)C1 ZINC000896952020 620112267 /nfs/dbraw/zinc/11/22/67/620112267.db2.gz UQDPFLMRDFRXJF-ZDUSSCGKSA-N 1 0 281.396 3.439 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H]2CCCc3cccnc32)c1O ZINC000897071809 620135425 /nfs/dbraw/zinc/13/54/25/620135425.db2.gz NGLPUMILMRORRQ-OAHLLOKOSA-N 1 0 268.360 3.263 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](C3CCOCC3)C2)c1 ZINC000897269364 620175459 /nfs/dbraw/zinc/17/54/59/620175459.db2.gz CYWNDMLXPQCMRV-MRXNPFEDSA-N 1 0 289.419 3.339 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCC[C@@H](C3CCOCC3)C2)c1O ZINC000897269455 620175871 /nfs/dbraw/zinc/17/58/71/620175871.db2.gz GETCSFFDRKZXBS-MRXNPFEDSA-N 1 0 289.419 3.339 20 10 CGCDRO COc1cc(Cl)cc(C[N@H+]2CC(C)=C[C@H](C)C2)c1O ZINC000797605268 620220147 /nfs/dbraw/zinc/22/01/47/620220147.db2.gz OQYUKACNFHRCEO-JTQLQIEISA-N 1 0 281.783 3.452 20 10 CGCDRO C[C@H]([NH2+]Cc1cc(Cl)ccc1O)[C@H](O)c1ccccc1 ZINC000206876909 620230047 /nfs/dbraw/zinc/23/00/47/620230047.db2.gz OUGKLNCWWAUBJV-ZBEGNZNMSA-N 1 0 291.778 3.257 20 10 CGCDRO C[C@H]1C[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C[C@H]1C ZINC000751929225 620252354 /nfs/dbraw/zinc/25/23/54/620252354.db2.gz PCHLWKBDXNAGOU-TXEJJXNPSA-N 1 0 277.408 3.483 20 10 CGCDRO CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])C1 ZINC000841743954 620345076 /nfs/dbraw/zinc/34/50/76/620345076.db2.gz DMJUEDDIKCGPQP-NWDGAFQWSA-N 1 0 282.815 3.038 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]C[C@]12C[C@H]1COC21CCC1 ZINC000898065014 620473327 /nfs/dbraw/zinc/47/33/27/620473327.db2.gz AVYDSHLTFCGCRM-SWLSCSKDSA-N 1 0 293.794 3.094 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@H](c2ccncc2)C2CC2)c1 ZINC000898322921 620506021 /nfs/dbraw/zinc/50/60/21/620506021.db2.gz UUUZBALCLQWBEC-KRWDZBQOSA-N 1 0 284.359 3.037 20 10 CGCDRO Cc1cc(O)c(CNCC2([NH3+])CCCCC2)c(Cl)c1 ZINC000841040602 620518758 /nfs/dbraw/zinc/51/87/58/620518758.db2.gz VAFSRIWUNQFJNC-UHFFFAOYSA-N 1 0 282.815 3.105 20 10 CGCDRO C[C@H]([NH2+]CCc1nc2c(s1)CCC2)c1ccccc1O ZINC000926932348 620550580 /nfs/dbraw/zinc/55/05/80/620550580.db2.gz VBLIFODBWBSGPO-NSHDSACASA-N 1 0 288.416 3.231 20 10 CGCDRO CCC[C@@H](O)CC[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000927013819 620561267 /nfs/dbraw/zinc/56/12/67/620561267.db2.gz ACQXXZPKJZIOAN-UONOGXRCSA-N 1 0 265.397 3.211 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@]2(C)CCCCO2)c1 ZINC000927017587 620562207 /nfs/dbraw/zinc/56/22/07/620562207.db2.gz JTGRLBGBEHFESM-BBRMVZONSA-N 1 0 263.381 3.310 20 10 CGCDRO C[C@H]1C[C@H]([NH2+][C@@H]2CCO[C@H]2C2CC2)c2c1c(F)ccc2O ZINC000903265576 621643774 /nfs/dbraw/zinc/64/37/74/621643774.db2.gz NPUVQVMCFXSBIQ-KMLDAGGKSA-N 1 0 291.366 3.237 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C2CC3(C2)CO[C@@H](C)C3)c1 ZINC000903283167 621650511 /nfs/dbraw/zinc/65/05/11/621650511.db2.gz PPZNQWQCQQSHNR-WIJYIZELSA-N 1 0 275.392 3.309 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)c1ccc(C)cc1O ZINC000903266229 621652587 /nfs/dbraw/zinc/65/25/87/621652587.db2.gz VFUYWTBXHCOQLR-INMHGKMJSA-N 1 0 275.392 3.309 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](CO)CCc2ccccc2)c1 ZINC000903290613 621673853 /nfs/dbraw/zinc/67/38/53/621673853.db2.gz ZSESAZJOYINWHY-WBVHZDCISA-N 1 0 299.414 3.345 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@]1(OC(C)C)CCOC1)c1ccccc1O ZINC000903356786 621713855 /nfs/dbraw/zinc/71/38/55/621713855.db2.gz HETALYCSVYDJNX-WBVHZDCISA-N 1 0 293.407 3.017 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2COC[C@@H]2C2CC2)c2c1c(F)ccc2O ZINC000903434698 621745423 /nfs/dbraw/zinc/74/54/23/621745423.db2.gz AJOBMUOIZBZMJY-QIRAZROLSA-N 1 0 291.366 3.094 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2CCCC(C)(C)C2)c(O)c1 ZINC000149455409 622313316 /nfs/dbraw/zinc/31/33/16/622313316.db2.gz RWBSHTDGYVAOLZ-ZDUSSCGKSA-N 1 0 263.381 3.459 20 10 CGCDRO C[C@H]1C[NH+](Cc2ccc(N(C)C)c(F)c2)C[C@H](C)S1 ZINC000769142040 625561410 /nfs/dbraw/zinc/56/14/10/625561410.db2.gz SGDCFUQCWCCDNF-RYUDHWBXSA-N 1 0 282.428 3.218 20 10 CGCDRO CCCC[C@@H](C)[N@H+](C)Cc1cc(OC)ccc1O ZINC000311090439 622458091 /nfs/dbraw/zinc/45/80/91/622458091.db2.gz YQLYUXNJXZNKMU-GFCCVEGCSA-N 1 0 251.370 3.411 20 10 CGCDRO COc1ccc(N2CCC([NH2+][C@H](C)CSC)CC2)cc1 ZINC000150999808 622715896 /nfs/dbraw/zinc/71/58/96/622715896.db2.gz XUKBDKSMMPTRGA-CYBMUJFWSA-N 1 0 294.464 3.005 20 10 CGCDRO COc1cc(C)cc(C[NH+]2C[C@H](C)S[C@@H](C)C2)c1O ZINC000164416159 622834743 /nfs/dbraw/zinc/83/47/43/622834743.db2.gz YRQKAXMUMACRCN-RYUDHWBXSA-N 1 0 281.421 3.035 20 10 CGCDRO CC[C@H]([NH2+][C@@H](CC)[C@@H]1CCCO1)c1ccccc1O ZINC000156935656 622850876 /nfs/dbraw/zinc/85/08/76/622850876.db2.gz HDVZOQJQPBZBLU-DZKIICNBSA-N 1 0 263.381 3.391 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1CCSC1)c1ccc(N(C)C)cc1 ZINC000226387756 622966400 /nfs/dbraw/zinc/96/64/00/622966400.db2.gz NWJBQLXIJWQAQJ-STQMWFEESA-N 1 0 264.438 3.156 20 10 CGCDRO C[C@H]1CCC[C@H](C[NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000227439763 623019661 /nfs/dbraw/zinc/01/96/61/623019661.db2.gz AJZGYUKRTLRCAV-RYUDHWBXSA-N 1 0 277.364 3.037 20 10 CGCDRO CCC[N@H+](CCOC(C)(C)C)Cc1ccccc1O ZINC000170779073 623098920 /nfs/dbraw/zinc/09/89/20/623098920.db2.gz PCMBHUIAFPXCBX-UHFFFAOYSA-N 1 0 265.397 3.419 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)C1CCOCC1 ZINC000230223856 623223624 /nfs/dbraw/zinc/22/36/24/623223624.db2.gz NZOJVXQPJVXMQE-OAHLLOKOSA-N 1 0 288.435 3.192 20 10 CGCDRO CO[C@]1(C)CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000230299718 623232547 /nfs/dbraw/zinc/23/25/47/623232547.db2.gz BKIVTVZYOOHBMB-CQSZACIVSA-N 1 0 269.772 3.047 20 10 CGCDRO C[C@H]1CC[C@@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000230407468 623237639 /nfs/dbraw/zinc/23/76/39/623237639.db2.gz GIIRGHPDUJRHIW-DOTOQJQBSA-N 1 0 288.435 3.049 20 10 CGCDRO CS[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)C1 ZINC000230697873 623263681 /nfs/dbraw/zinc/26/36/81/623263681.db2.gz ADRBAUJCODSIAS-UKRRQHHQSA-N 1 0 264.438 3.126 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2CC[C@@H](SC)C2)cc1C ZINC000230699149 623263697 /nfs/dbraw/zinc/26/36/97/623263697.db2.gz OXEKXANICFVMDX-UONOGXRCSA-N 1 0 265.422 3.377 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1[O-] ZINC000062747654 623266492 /nfs/dbraw/zinc/26/64/92/623266492.db2.gz CSNCAWUKTCIVFW-JTQLQIEISA-N 1 0 290.294 3.290 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]C[C@H]2CC2(C)C)c1O ZINC000230934489 623283976 /nfs/dbraw/zinc/28/39/76/623283976.db2.gz VBVSXMAKRCYMBQ-SNVBAGLBSA-N 1 0 269.772 3.190 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CC(C)(C)OC)cc1F ZINC000174596230 623410946 /nfs/dbraw/zinc/41/09/46/623410946.db2.gz SBBCTEQXSIWEKM-UHFFFAOYSA-N 1 0 282.403 3.187 20 10 CGCDRO CCC(CC)[C@@H](C[NH2+]Cc1ccc(OC)c(C)c1)N(C)C ZINC000035258593 623423507 /nfs/dbraw/zinc/42/35/07/623423507.db2.gz CXSJJZFHCCHKCC-QGZVFWFLSA-N 1 0 292.467 3.460 20 10 CGCDRO Oc1ccccc1C[NH2+]Cc1ccc(Cl)s1 ZINC000070557846 625019792 /nfs/dbraw/zinc/01/97/92/625019792.db2.gz MVXUGCVJWKXNBJ-UHFFFAOYSA-N 1 0 253.754 3.397 20 10 CGCDRO C[N@H+](CCC(=O)c1ccc(F)cc1)Cc1ccccc1O ZINC000182652136 625023974 /nfs/dbraw/zinc/02/39/74/625023974.db2.gz NZQHAILTPVOPGZ-UHFFFAOYSA-N 1 0 287.334 3.236 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2scnc2C)c1 ZINC000071212426 625065389 /nfs/dbraw/zinc/06/53/89/625065389.db2.gz CADUXKIUVKHTBU-VIFPVBQESA-N 1 0 278.377 3.017 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000184247151 625213122 /nfs/dbraw/zinc/21/31/22/625213122.db2.gz GSDQKDUPSVDMCT-GOSISDBHSA-N 1 0 297.398 3.226 20 10 CGCDRO COc1ccc(O)c(C[NH2+]Cc2ccc3c(c2)C[C@H](C)O3)c1 ZINC000921741141 625859325 /nfs/dbraw/zinc/85/93/25/625859325.db2.gz SHZBAYHJXIRYBT-LBPRGKRZSA-N 1 0 299.370 3.014 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H](C)[C@@H](c2ccccc2)N(C)C)c1O ZINC000186457530 625860471 /nfs/dbraw/zinc/86/04/71/625860471.db2.gz HGWLKUGALTVJGP-YJBOKZPZSA-N 1 0 298.430 3.482 20 10 CGCDRO C[C@H]1CC([NH2+]Cc2ccc3c(c2)CCCO3)C[C@H](C)O1 ZINC000921955540 625943679 /nfs/dbraw/zinc/94/36/79/625943679.db2.gz LLFWNKLGFUHWBS-STQMWFEESA-N 1 0 275.392 3.057 20 10 CGCDRO CCOC1CC(CC[NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000922044853 625966801 /nfs/dbraw/zinc/96/68/01/625966801.db2.gz VUADMQOOHVRNMU-UHFFFAOYSA-N 1 0 289.419 3.306 20 10 CGCDRO C[C@@H]1C[C@@H](C[NH2+]Cc2ccc3c(c2)CCCO3)C[C@H](C)O1 ZINC000922093750 625969445 /nfs/dbraw/zinc/96/94/45/625969445.db2.gz FQCJCJGJLQNDHM-MIFYACCESA-N 1 0 289.419 3.305 20 10 CGCDRO CCC(CC)(CCO)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922109296 625970388 /nfs/dbraw/zinc/97/03/88/625970388.db2.gz PGFYTXIICZCNSZ-UHFFFAOYSA-N 1 0 277.408 3.042 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)[C@H](O)c1ccccc1 ZINC000922136431 625971978 /nfs/dbraw/zinc/97/19/78/625971978.db2.gz WQZQWOALXQJILN-KUHUBIRLSA-N 1 0 297.398 3.223 20 10 CGCDRO c1cc2c(cc1C[NH2+]CCCC1CCOCC1)CCCO2 ZINC000922151225 625973436 /nfs/dbraw/zinc/97/34/36/625973436.db2.gz YPDSQHDFZIFXMD-UHFFFAOYSA-N 1 0 289.419 3.308 20 10 CGCDRO CC(F)(F)CC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922153412 625973863 /nfs/dbraw/zinc/97/38/63/625973863.db2.gz TWHHLXNGGVJNPG-UHFFFAOYSA-N 1 0 255.308 3.147 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H](CCO)c2ccco2)c(O)c1 ZINC000186520125 625985584 /nfs/dbraw/zinc/98/55/84/625985584.db2.gz VQMYQBJAGRIDBU-TZMCWYRMSA-N 1 0 275.348 3.068 20 10 CGCDRO C[C@@H]1[C@@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)CCN1C ZINC000922557447 626013317 /nfs/dbraw/zinc/01/33/17/626013317.db2.gz OHSYWVWCDLMTOP-KDOFPFPSSA-N 1 0 296.414 3.241 20 10 CGCDRO Cc1cc(CNc2ccc(OCC[NH3+])cc2)ccc1N(C)C ZINC000923331119 626145712 /nfs/dbraw/zinc/14/57/12/626145712.db2.gz KQNWNQDLYUHKLJ-UHFFFAOYSA-N 1 0 299.418 3.011 20 10 CGCDRO CC[C@@H](C)C[N@H+](CC)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774907346 626181726 /nfs/dbraw/zinc/18/17/26/626181726.db2.gz ABJZEPHUJNSBGQ-LLVKDONJSA-N 1 0 296.367 3.177 20 10 CGCDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc3ccccc3c2O)C1 ZINC000839147256 626317195 /nfs/dbraw/zinc/31/71/95/626317195.db2.gz GSUKIWVVNIUKRZ-GASCZTMLSA-N 1 0 271.360 3.203 20 10 CGCDRO COC(=O)c1cc2ccccc2c(C[N@@H+]2CCC[C@H]2C)c1O ZINC000751924135 626411523 /nfs/dbraw/zinc/41/15/23/626411523.db2.gz HAYRWKZWKPCSAK-GFCCVEGCSA-N 1 0 299.370 3.316 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+](C)CCCOC(C)C)c1 ZINC000754742205 626585834 /nfs/dbraw/zinc/58/58/34/626585834.db2.gz TWYPESOXCHJNMK-UHFFFAOYSA-N 1 0 265.397 3.256 20 10 CGCDRO CC(C)[C@@H]1CC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000755921217 626660586 /nfs/dbraw/zinc/66/05/86/626660586.db2.gz NQXQHBCTIWYQAN-CQSZACIVSA-N 1 0 270.376 3.418 20 10 CGCDRO CC(C)C[C@@H](O)C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000756498735 626709892 /nfs/dbraw/zinc/70/98/92/626709892.db2.gz WWDJVQLRIXOVIX-XJKSGUPXSA-N 1 0 291.435 3.329 20 10 CGCDRO C[C@@H](Cc1cnccn1)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000756496890 626709900 /nfs/dbraw/zinc/70/99/00/626709900.db2.gz YJBKJRNSRCRCFE-QWRGUYRKSA-N 1 0 291.782 3.117 20 10 CGCDRO COCCCCC[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756496316 626710125 /nfs/dbraw/zinc/71/01/25/626710125.db2.gz GHLOIRIVQRCVNL-AAEUAGOBSA-N 1 0 281.371 3.486 20 10 CGCDRO CCCCOCC[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756503713 626710765 /nfs/dbraw/zinc/71/07/65/626710765.db2.gz LTYFQJPEYOFLPD-AAEUAGOBSA-N 1 0 281.371 3.486 20 10 CGCDRO CCN(CC)C[C@H](C)[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000756536432 626713366 /nfs/dbraw/zinc/71/33/66/626713366.db2.gz VRLIPXGPORWSKT-NWDGAFQWSA-N 1 0 284.831 3.427 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCN(CC2CC2)C1)c1cc(Cl)ccc1O ZINC000756554003 626714547 /nfs/dbraw/zinc/71/45/47/626714547.db2.gz NQDAXOFIEFSDBD-BXUZGUMPSA-N 1 0 294.826 3.181 20 10 CGCDRO CCc1cc(C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)[nH]n1 ZINC000756570400 626716175 /nfs/dbraw/zinc/71/61/75/626716175.db2.gz BKPRFPWZGGSKRX-NOZJJQNGSA-N 1 0 289.354 3.155 20 10 CGCDRO CCC(CC)[C@H](O)C[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000756569480 626716422 /nfs/dbraw/zinc/71/64/22/626716422.db2.gz OVLOWBYNQCYAEP-XJKSGUPXSA-N 1 0 279.424 3.457 20 10 CGCDRO C[C@H]([NH2+]CC1(O)CCCC1)c1cc(Cl)ccc1O ZINC000756575981 626717131 /nfs/dbraw/zinc/71/71/31/626717131.db2.gz SAVCLOJKWCUWES-JTQLQIEISA-N 1 0 269.772 3.001 20 10 CGCDRO CC[C@H](C)[C@](C)(O)C[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000756577966 626717549 /nfs/dbraw/zinc/71/75/49/626717549.db2.gz UCSHFPUYVCYWTM-HEHGZKQESA-N 1 0 265.397 3.148 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccn(C(C)C)n2)c(O)c1 ZINC000756596341 626719369 /nfs/dbraw/zinc/71/93/69/626719369.db2.gz ZIDJOJPZMUBHFW-CYBMUJFWSA-N 1 0 273.380 3.329 20 10 CGCDRO CCC[C@H](CCO)C[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756619964 626721340 /nfs/dbraw/zinc/72/13/40/626721340.db2.gz ZHYVDRMZKMZVSG-OUCADQQQSA-N 1 0 295.398 3.468 20 10 CGCDRO CC[C@@H]([NH2+][C@H](C)c1cc(OC)ccc1O)C1CCOCC1 ZINC000756628483 626721800 /nfs/dbraw/zinc/72/18/00/626721800.db2.gz MNZSRLKKQWAJFC-MLGOLLRUSA-N 1 0 293.407 3.257 20 10 CGCDRO COC(C)(C)C[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000756646716 626724043 /nfs/dbraw/zinc/72/40/43/626724043.db2.gz OCBUITQXOYGOTI-LBPRGKRZSA-N 1 0 251.370 3.085 20 10 CGCDRO CC[C@H](O)CCC[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000756733004 626728181 /nfs/dbraw/zinc/72/81/81/626728181.db2.gz LVZKUENSTGNMDX-CJNGLKHVSA-N 1 0 291.435 3.473 20 10 CGCDRO C[C@H](O)CC(C)(C)C[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756732563 626728395 /nfs/dbraw/zinc/72/83/95/626728395.db2.gz JEIUAVGPUUMJQU-GVXVVHGQSA-N 1 0 295.398 3.466 20 10 CGCDRO CS[C@H](C)C[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756767353 626729952 /nfs/dbraw/zinc/72/99/52/626729952.db2.gz GLAXWNLBZMGMSV-IQJOONFLSA-N 1 0 269.385 3.421 20 10 CGCDRO Cc1ncc(CC[NH2+][C@H](C)c2cc(F)ccc2O)s1 ZINC000756761901 626729982 /nfs/dbraw/zinc/72/99/82/626729982.db2.gz RTBXTMKVGUHBEQ-SECBINFHSA-N 1 0 280.368 3.190 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+][C@H](CO)CC(C)(C)C)c2c1c(F)ccc2O ZINC000756763310 626730153 /nfs/dbraw/zinc/73/01/53/626730153.db2.gz ZCMBSLYRPLQYOU-NTZNESFSSA-N 1 0 295.398 3.466 20 10 CGCDRO Cc1cc(C[NH2+][C@H](C)c2ccc3ccccc3c2O)ncn1 ZINC000756775895 626731552 /nfs/dbraw/zinc/73/15/52/626731552.db2.gz MOHJRAKNBMILHB-CYBMUJFWSA-N 1 0 293.370 3.495 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CC2([C@H](O)C(C)C)CC2)c(O)c1C ZINC000756791226 626732410 /nfs/dbraw/zinc/73/24/10/626732410.db2.gz QOHQZAIVNQGCOX-WMLDXEAASA-N 1 0 291.435 3.457 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)Nc2cnn(-c3cc[nH+]cc3)c2)c1 ZINC000756868393 626738570 /nfs/dbraw/zinc/73/85/70/626738570.db2.gz SNCFHVVNWGNNBC-CYBMUJFWSA-N 1 0 294.358 3.454 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)cc1C ZINC000756880022 626738961 /nfs/dbraw/zinc/73/89/61/626738961.db2.gz DXYUYZLPXJVVIZ-GDBMZVCRSA-N 1 0 275.392 3.010 20 10 CGCDRO COc1cccc(C[NH2+]CC23CCC(CC2)C3)c1O ZINC000756990331 626745253 /nfs/dbraw/zinc/74/52/53/626745253.db2.gz QGCZCACYAOWLHL-UHFFFAOYSA-N 1 0 261.365 3.071 20 10 CGCDRO CC[C@@H](CC(F)(F)F)[NH2+]Cc1cc(F)ccc1O ZINC000761230451 627027909 /nfs/dbraw/zinc/02/79/09/627027909.db2.gz ZRCMKTBCOCGNGE-JTQLQIEISA-N 1 0 265.250 3.352 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCOC(C)(C)[C@@H]2C)cc1C ZINC000763214687 627145257 /nfs/dbraw/zinc/14/52/57/627145257.db2.gz ZAUIRKWSXPYRGG-ZDUSSCGKSA-N 1 0 263.381 3.008 20 10 CGCDRO Cc1cc(NC(=O)C2=CC(=O)CS2)ccc1C[NH+](C)C ZINC000839797763 627240690 /nfs/dbraw/zinc/24/06/90/627240690.db2.gz ORUJJGVWYIZHBW-UHFFFAOYSA-N 1 0 290.388 3.076 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H]2CCCCO2)cc1 ZINC000765341958 627246710 /nfs/dbraw/zinc/24/67/10/627246710.db2.gz AQAAOXCAUVHLRH-RHSMWYFYSA-N 1 0 276.424 3.362 20 10 CGCDRO CC[C@H]([NH2+]C[C@@]1(C)CCOC1)c1ccc(N(C)C)cc1 ZINC000765961245 627282397 /nfs/dbraw/zinc/28/23/97/627282397.db2.gz ZEIHMEZSWLGCPE-DLBZAZTESA-N 1 0 276.424 3.220 20 10 CGCDRO CC(C)[C@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000768319544 627473642 /nfs/dbraw/zinc/47/36/42/627473642.db2.gz PPYCUCKDSSIHGA-GOSISDBHSA-N 1 0 288.435 3.144 20 10 CGCDRO COc1cc(O)c(C[N@H+](C)[C@@H](C)C(C)(C)C)cc1OC ZINC000768442409 627480810 /nfs/dbraw/zinc/48/08/10/627480810.db2.gz UWXWWLRQQYYVCX-NSHDSACASA-N 1 0 281.396 3.276 20 10 CGCDRO CCOc1ccc(C[N@H+](C)C[C@H](C)CC)c(O)c1 ZINC000768766344 627497319 /nfs/dbraw/zinc/49/73/19/627497319.db2.gz JLPYNNURNBFPSU-GFCCVEGCSA-N 1 0 251.370 3.269 20 10 CGCDRO C[C@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(N(C)C)cc1 ZINC000768892804 627506471 /nfs/dbraw/zinc/50/64/71/627506471.db2.gz LKOGHPDQGRXBFT-INIZCTEOSA-N 1 0 298.430 3.136 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CCOc2ccccc2[C@@H]1C ZINC000768930685 627509533 /nfs/dbraw/zinc/50/95/33/627509533.db2.gz OEPGDHLDGSQKFT-ZDUSSCGKSA-N 1 0 299.370 3.356 20 10 CGCDRO COc1cccc(O)c1C[NH+]1CCC(OCC(C)C)CC1 ZINC000768937904 627510208 /nfs/dbraw/zinc/51/02/08/627510208.db2.gz GHDGGRKXGXODIS-UHFFFAOYSA-N 1 0 293.407 3.038 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCO[C@H](C)[C@H]2C)cc1 ZINC000769421594 627551267 /nfs/dbraw/zinc/55/12/67/627551267.db2.gz AXXHNBGPTIACPV-HUUCEWRRSA-N 1 0 276.424 3.142 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)C(C)(C)C1 ZINC000769450155 627553350 /nfs/dbraw/zinc/55/33/50/627553350.db2.gz BCAVLABHDAMUQJ-HNNXBMFYSA-N 1 0 288.435 3.144 20 10 CGCDRO CCOc1ccc(O)c(C[N@H+](C)CCOC(C)(C)C)c1 ZINC000769514477 627561776 /nfs/dbraw/zinc/56/17/76/627561776.db2.gz HWKYXIDWQFXKRO-UHFFFAOYSA-N 1 0 281.396 3.038 20 10 CGCDRO CC[C@@]1(C)CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000769519263 627562328 /nfs/dbraw/zinc/56/23/28/627562328.db2.gz NRJZAWSGENUKGS-SFHVURJKSA-N 1 0 288.435 3.145 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000769517131 627562617 /nfs/dbraw/zinc/56/26/17/627562617.db2.gz ZCJBVTNQHLKQFJ-NSHDSACASA-N 1 0 251.757 3.278 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]CC2(CO)CCCC2)c2c1c(F)ccc2O ZINC000769995764 627596496 /nfs/dbraw/zinc/59/64/96/627596496.db2.gz KRGNODXIFAUYGE-DGCLKSJQSA-N 1 0 293.382 3.222 20 10 CGCDRO CC[C@@H]1CC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000770304952 627612366 /nfs/dbraw/zinc/61/23/66/627612366.db2.gz NQNCYAHSNQSDBL-GFCCVEGCSA-N 1 0 250.361 3.124 20 10 CGCDRO CSc1cc(C[NH2+]Cc2cc(C)ccc2O)ccn1 ZINC000771880212 627739057 /nfs/dbraw/zinc/73/90/57/627739057.db2.gz DMHUOWBJBYQVIW-UHFFFAOYSA-N 1 0 274.389 3.107 20 10 CGCDRO CCc1cnccc1[C@@H](C)[NH2+]Cc1cccc(OC)c1O ZINC000773428076 627883442 /nfs/dbraw/zinc/88/34/42/627883442.db2.gz NUZZODUXOUPJKU-GFCCVEGCSA-N 1 0 286.375 3.209 20 10 CGCDRO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1ccc(N(C)CC)cc1 ZINC000773755627 627911454 /nfs/dbraw/zinc/91/14/54/627911454.db2.gz UNIVEJYIWXFNHI-ZWKOTPCHSA-N 1 0 290.451 3.268 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCc3ccc(O)cc3C2)cc1 ZINC000773773558 627914833 /nfs/dbraw/zinc/91/48/33/627914833.db2.gz NYDQHGLXDWAWAC-UHFFFAOYSA-N 1 0 296.414 3.407 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H]1CCCCN1C1CC1)c1ccccc1O ZINC000774379082 627984287 /nfs/dbraw/zinc/98/42/87/627984287.db2.gz NMMGQPIBVLJDHB-DOTOQJQBSA-N 1 0 288.435 3.450 20 10 CGCDRO Cc1ccc2nc(C[NH2+][C@H](C)c3ccccc3O)cn2c1 ZINC000775137061 628066905 /nfs/dbraw/zinc/06/69/05/628066905.db2.gz SEFHDQYIXGFOBR-CYBMUJFWSA-N 1 0 281.359 3.199 20 10 CGCDRO CC[C@@H]([NH2+]CCCn1ccnc1C)c1ccccc1O ZINC000775413278 628092506 /nfs/dbraw/zinc/09/25/06/628092506.db2.gz ZWYPGGRTDODUSY-OAHLLOKOSA-N 1 0 273.380 3.028 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCCC[C@H]1O)c1cc(Cl)ccc1O ZINC000775503735 628102075 /nfs/dbraw/zinc/10/20/75/628102075.db2.gz NIUQIJWPFXJTCG-GZBFAFLISA-N 1 0 283.799 3.390 20 10 CGCDRO CC[C@H]([NH2+]CCOCC1CCC1)c1ccccc1O ZINC000775555461 628106439 /nfs/dbraw/zinc/10/64/39/628106439.db2.gz NCGLHKUNQXYYNH-HNNXBMFYSA-N 1 0 263.381 3.250 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CCc3ccsc3C2)c1 ZINC000775700224 628126803 /nfs/dbraw/zinc/12/68/03/628126803.db2.gz IYZFDKXVZBYTDU-UHFFFAOYSA-N 1 0 275.373 3.021 20 10 CGCDRO CO[C@@]1(C)C[C@H]([N@H+](C)Cc2cccc(C)c2O)C1(C)C ZINC000775735544 628131015 /nfs/dbraw/zinc/13/10/15/628131015.db2.gz RPYRJWYKFIKPLZ-YOEHRIQHSA-N 1 0 277.408 3.336 20 10 CGCDRO CC(C)[C@@H]1CC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000775766297 628134139 /nfs/dbraw/zinc/13/41/39/628134139.db2.gz WLGGRAADCNGACR-AWEZNQCLSA-N 1 0 250.361 3.122 20 10 CGCDRO COc1ccc(C2([NH2+]Cc3cccc(C)c3O)CC2)cc1 ZINC000776169846 628175212 /nfs/dbraw/zinc/17/52/12/628175212.db2.gz QSZLQCMRRFOOIT-UHFFFAOYSA-N 1 0 283.371 3.488 20 10 CGCDRO C[C@@H](Cc1cccc(O)c1)[NH2+]Cc1cc(Cl)ccc1O ZINC000776175038 628176909 /nfs/dbraw/zinc/17/69/09/628176909.db2.gz WCJREFNCPPOKKW-NSHDSACASA-N 1 0 291.778 3.472 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)CCCC3)C[C@@H]1F ZINC000777965500 628317092 /nfs/dbraw/zinc/31/70/92/628317092.db2.gz WWJVYIRTJAKYMR-WBMJQRKESA-N 1 0 277.383 3.451 20 10 CGCDRO CC(C)[C@H]1C[C@@H](C[NH2+]Cc2ccc(N(C)C)cc2)CCO1 ZINC000778626285 628361654 /nfs/dbraw/zinc/36/16/54/628361654.db2.gz DJWJRMTZIRHFLW-FUHWJXTLSA-N 1 0 290.451 3.293 20 10 CGCDRO C[C@H]1CC(C)(C)C[C@@](CO)([NH2+]Cc2cc(F)ccc2O)C1 ZINC000779119532 628389252 /nfs/dbraw/zinc/38/92/52/628389252.db2.gz DLZJACYVIMKGKH-SJCJKPOMSA-N 1 0 295.398 3.198 20 10 CGCDRO CC1CCN(c2ccc(C[NH2+]C3CSC3)cc2)CC1 ZINC000780879732 628521869 /nfs/dbraw/zinc/52/18/69/628521869.db2.gz URJWOLFPJKDLLC-UHFFFAOYSA-N 1 0 276.449 3.128 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H]2CCC=CO2)cc1 ZINC000783310987 628702412 /nfs/dbraw/zinc/70/24/12/628702412.db2.gz RZSLLCBAQDRFKW-YOEHRIQHSA-N 1 0 274.408 3.486 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CC2(N(C)C)CCC2)cc1 ZINC000783314699 628702865 /nfs/dbraw/zinc/70/28/65/628702865.db2.gz PQYZSEKAOLUFFM-HNNXBMFYSA-N 1 0 289.467 3.278 20 10 CGCDRO CCOC(=O)CC(C)(C)CC[N@H+](C)Cc1ccccc1O ZINC000805745894 628715402 /nfs/dbraw/zinc/71/54/02/628715402.db2.gz KMHDMLTVYCHMCY-UHFFFAOYSA-N 1 0 293.407 3.194 20 10 CGCDRO Cc1ncc2c(n1)CCC[C@@H]2[NH2+][C@@H](C)c1ccccc1O ZINC000783514533 628719970 /nfs/dbraw/zinc/71/99/70/628719970.db2.gz SEFBXLOUUMBNBL-NHYWBVRUSA-N 1 0 283.375 3.219 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)CC[C@@H]2CCOC2)cc1 ZINC000783514183 628720021 /nfs/dbraw/zinc/72/00/21/628720021.db2.gz KIVCREMHFRPDNL-QGZVFWFLSA-N 1 0 290.451 3.391 20 10 CGCDRO Cc1ccccc1[C@@H](CO)[NH2+][C@H](C)c1ccccc1O ZINC000783519124 628720499 /nfs/dbraw/zinc/72/04/99/628720499.db2.gz VZFNGTXGSIACHZ-CZUORRHYSA-N 1 0 271.360 3.085 20 10 CGCDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@H](C)c2ccccc2O)C1(C)C ZINC000783526161 628722075 /nfs/dbraw/zinc/72/20/75/628722075.db2.gz RVYQOCCJFMDZPI-YIKOMLBNSA-N 1 0 263.381 3.102 20 10 CGCDRO COCCOCCCC[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000788585218 629066162 /nfs/dbraw/zinc/06/61/62/629066162.db2.gz TWVOMDXRUYMQMQ-OAHLLOKOSA-N 1 0 295.423 3.103 20 10 CGCDRO CCCN(CC)CC[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000788607763 629069098 /nfs/dbraw/zinc/06/90/98/629069098.db2.gz CRPYPOLRAGYCQH-OAHLLOKOSA-N 1 0 278.440 3.392 20 10 CGCDRO CC[C@@H](O)CCC[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000788661606 629070970 /nfs/dbraw/zinc/07/09/70/629070970.db2.gz BHEHSCFGJJVDCG-UONOGXRCSA-N 1 0 265.397 3.211 20 10 CGCDRO Cc1nnc(C[NH2+][C@H](C)c2c(C)cc(C)cc2O)s1 ZINC000788732921 629076760 /nfs/dbraw/zinc/07/67/60/629076760.db2.gz GULLCZLTXYDBAF-SNVBAGLBSA-N 1 0 277.393 3.020 20 10 CGCDRO CC(C)[N@H+](CCC[C@@H](C)O)Cc1ccc(N(C)C)cc1 ZINC000789310786 629122808 /nfs/dbraw/zinc/12/28/08/629122808.db2.gz VRAPEEACWWKINZ-OAHLLOKOSA-N 1 0 278.440 3.124 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1N(C)CCCC1(C)C)c1ccccc1O ZINC000790499559 629214070 /nfs/dbraw/zinc/21/40/70/629214070.db2.gz YBPJOHUJIVGRNX-BBRMVZONSA-N 1 0 276.424 3.163 20 10 CGCDRO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000790934634 629241909 /nfs/dbraw/zinc/24/19/09/629241909.db2.gz PVOABYWPTTUSLX-RISCZKNCSA-N 1 0 283.799 3.171 20 10 CGCDRO COCC[N@H+](Cc1cc(OC)ccc1O)[C@H]1CC[C@@H](C)C1 ZINC000792192382 629346641 /nfs/dbraw/zinc/34/66/41/629346641.db2.gz JITBDRNZXVXHFD-HIFRSBDPSA-N 1 0 293.407 3.038 20 10 CGCDRO C[C@H]1CCSCC[N@@H+]1Cc1c(O)cccc1Cl ZINC000792195086 629347549 /nfs/dbraw/zinc/34/75/49/629347549.db2.gz CHKNFJKHHMEPBY-JTQLQIEISA-N 1 0 271.813 3.373 20 10 CGCDRO C[N@H+](Cc1c(O)ccc2ccccc21)CC1(C)COC1 ZINC000862477365 629383607 /nfs/dbraw/zinc/38/36/07/629383607.db2.gz KRTUJJMSWWABJB-UHFFFAOYSA-N 1 0 271.360 3.014 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H](C)C2CC(F)(F)C2)c1 ZINC000862478618 629384923 /nfs/dbraw/zinc/38/49/23/629384923.db2.gz JZQCUBGWTQQJDZ-SNVBAGLBSA-N 1 0 255.308 3.224 20 10 CGCDRO Cc1cccc(C[NH2+][C@]2(CO)CCCC(C)(C)C2)c1O ZINC000862484720 629385634 /nfs/dbraw/zinc/38/56/34/629385634.db2.gz ADENLARXAHRSDR-QGZVFWFLSA-N 1 0 277.408 3.122 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](c3ccc(O)cc3)C2)c1 ZINC000862541663 629397507 /nfs/dbraw/zinc/39/75/07/629397507.db2.gz ZDWMRKCEUPBDNV-OAHLLOKOSA-N 1 0 283.371 3.396 20 10 CGCDRO Cc1cc(Cl)cc(C[N@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)c1O ZINC000793214790 629429050 /nfs/dbraw/zinc/42/90/50/629429050.db2.gz RGJVOSSYDDCOBZ-IAQYHMDHSA-N 1 0 295.810 3.353 20 10 CGCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCC3(C)C)CC2)cc1 ZINC000793527443 629476841 /nfs/dbraw/zinc/47/68/41/629476841.db2.gz QNSIFZBSUWAOSI-QGZVFWFLSA-N 1 0 288.435 3.442 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](O)c1ccccc1)c1ccc(C)cc1O ZINC000794795202 629577444 /nfs/dbraw/zinc/57/74/44/629577444.db2.gz OWETVKJVHYNQQG-FUHWJXTLSA-N 1 0 285.387 3.475 20 10 CGCDRO CC[C@@H](O)CCC[NH2+][C@H](CC)c1ccc(C)cc1O ZINC000794813039 629580524 /nfs/dbraw/zinc/58/05/24/629580524.db2.gz AXHQRXOUZNUYNF-UKRRQHHQSA-N 1 0 265.397 3.292 20 10 CGCDRO CC[C@@H]([NH2+][C@H]1CC[C@@H](CO)CC1)c1ccc(C)cc1O ZINC000794812824 629580578 /nfs/dbraw/zinc/58/05/78/629580578.db2.gz ZNMGLYYRWJNMOM-IJEWVQPXSA-N 1 0 277.408 3.292 20 10 CGCDRO C[C@@H]([NH2+]Cc1cccnc1F)c1ccc(N(C)C)cc1 ZINC000794833007 629583912 /nfs/dbraw/zinc/58/39/12/629583912.db2.gz JLIJCUCBHOHMIG-GFCCVEGCSA-N 1 0 273.355 3.138 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2cccnc2F)c2c1c(F)ccc2O ZINC000794832100 629583972 /nfs/dbraw/zinc/58/39/72/629583972.db2.gz CEVDEBUGIKJJKZ-BXKDBHETSA-N 1 0 290.313 3.404 20 10 CGCDRO CC[C@@H]1[NH2+]CC[C@H]1N[C@H](C)c1ccc2ccccc2c1O ZINC000863541696 629602127 /nfs/dbraw/zinc/60/21/27/629602127.db2.gz AHVNPGBWLQSBGD-OAUYIBNBSA-N 1 0 284.403 3.337 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)N[C@H]2CC[C@@H](C)[NH2+]C2)c1O ZINC000863548292 629603585 /nfs/dbraw/zinc/60/35/85/629603585.db2.gz WVSWOXVSZOIVBK-MDZLAQPJSA-N 1 0 282.815 3.145 20 10 CGCDRO COc1cccc(CCC[N@H+](C)Cc2ccccc2O)c1 ZINC000119527040 629609998 /nfs/dbraw/zinc/60/99/98/629609998.db2.gz NBUVJDNBVJMJAQ-UHFFFAOYSA-N 1 0 285.387 3.465 20 10 CGCDRO COc1ccc(CNc2cc[nH+]c3c(O)cccc23)c(O)c1 ZINC000795290133 629656971 /nfs/dbraw/zinc/65/69/71/629656971.db2.gz RAMQEOYCURXIIB-UHFFFAOYSA-N 1 0 296.326 3.267 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@H+]2C[C@H](N3CCCC3)C[C@@H]2C)c1 ZINC000795705957 629710851 /nfs/dbraw/zinc/71/08/51/629710851.db2.gz JQVSRQRFADCZHS-DOTOQJQBSA-N 1 0 288.435 3.068 20 10 CGCDRO CC[C@@H]([NH2+]CCC[NH+](CC)CC)c1ccc(F)cc1[O-] ZINC000796662937 629812076 /nfs/dbraw/zinc/81/20/76/629812076.db2.gz JAOSDXFKYZUDKT-OAHLLOKOSA-N 1 0 282.403 3.304 20 10 CGCDRO CC(C)[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000796700016 629816673 /nfs/dbraw/zinc/81/66/73/629816673.db2.gz CCSOZKPFNPMZLQ-ROUUACIJSA-N 1 0 288.435 3.047 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CSC[C@@H]2C)c(O)c1C ZINC000797067307 629881205 /nfs/dbraw/zinc/88/12/05/629881205.db2.gz YTESOZCYYBSDQJ-VHRBIJSZSA-N 1 0 265.422 3.411 20 10 CGCDRO CC1=C[C@H](C)C[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000797605706 629970460 /nfs/dbraw/zinc/97/04/60/629970460.db2.gz VDSXMQNOOBMENK-JTQLQIEISA-N 1 0 251.757 3.444 20 10 CGCDRO COc1cc2c(cc1F)CC[C@@H]2[NH2+]Cc1ccccc1O ZINC000798926202 630125435 /nfs/dbraw/zinc/12/54/35/630125435.db2.gz HYFJJQBOHKCRTI-HNNXBMFYSA-N 1 0 287.334 3.317 20 10 CGCDRO C[C@H]([NH2+]C[C@H](CO)CC1CCCC1)c1cc(F)ccc1O ZINC000798938555 630127785 /nfs/dbraw/zinc/12/77/85/630127785.db2.gz YVUWXVABCQWELQ-GXTWGEPZSA-N 1 0 295.398 3.371 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](c3ccccn3)C2)cc1F ZINC000798962826 630128932 /nfs/dbraw/zinc/12/89/32/630128932.db2.gz QSSPAQJFCRHMMH-HNNXBMFYSA-N 1 0 299.393 3.276 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](CCO)Cc2ccccc2)c1 ZINC000799729187 630226422 /nfs/dbraw/zinc/22/64/22/630226422.db2.gz INXBJIOHLMZDMG-DOTOQJQBSA-N 1 0 299.414 3.345 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@H+]2CCC[C@H](c3ccnn3C)C2)c1 ZINC000800858271 630305883 /nfs/dbraw/zinc/30/58/83/630305883.db2.gz LDJXUIXHCGDZBE-HNNXBMFYSA-N 1 0 299.418 3.122 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCc3ccccc3OC2)c1 ZINC000800889284 630309415 /nfs/dbraw/zinc/30/94/15/630309415.db2.gz MMYFGVBYEYOQMN-MRXNPFEDSA-N 1 0 283.371 3.184 20 10 CGCDRO CCCC[N@H+](Cc1cnoc1C)Cc1ccccc1O ZINC000801597760 630346366 /nfs/dbraw/zinc/34/63/66/630346366.db2.gz ODFFGBFEDDNQFL-UHFFFAOYSA-N 1 0 274.364 3.491 20 10 CGCDRO CCOc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2F)c(O)c1 ZINC000865698689 630386701 /nfs/dbraw/zinc/38/67/01/630386701.db2.gz FOONFBIHUYUERL-UONOGXRCSA-N 1 0 267.344 3.161 20 10 CGCDRO CO[C@@H]1CC[N@H+](Cc2cc3c(cc2O)CCCC3)C[C@H]1C ZINC000840124109 630605617 /nfs/dbraw/zinc/60/56/17/630605617.db2.gz NTUCLIMZFBNPCC-FZKQIMNGSA-N 1 0 289.419 3.128 20 10 CGCDRO c1cc(C[NH2+][C@H](C2CCC2)[C@H]2CCCO2)cc2c1OCC2 ZINC000865735367 630606483 /nfs/dbraw/zinc/60/64/83/630606483.db2.gz LBKGYWBMZSGLJU-QZTJIDSGSA-N 1 0 287.403 3.059 20 10 CGCDRO COCC(C)(C)CCC[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000808428808 630644136 /nfs/dbraw/zinc/64/41/36/630644136.db2.gz QBVBRTSISJRHNA-UHFFFAOYSA-N 1 0 296.430 3.434 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCN(C3CC3)C2)c1O ZINC000808691327 630665101 /nfs/dbraw/zinc/66/51/01/630665101.db2.gz JAXUUMOUUJDLHP-WCQYABFASA-N 1 0 294.826 3.241 20 10 CGCDRO Cc1cc(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)[nH]n1 ZINC000808697424 630666300 /nfs/dbraw/zinc/66/63/00/630666300.db2.gz INXVOSQIQITLHZ-SNVBAGLBSA-N 1 0 279.771 3.236 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCOCC(F)F)c1O ZINC000808715043 630669562 /nfs/dbraw/zinc/66/95/62/630669562.db2.gz HCWAQRYZYXAFOG-SECBINFHSA-N 1 0 293.741 3.286 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CC2(CO)CCC2)c1O ZINC000808713814 630669876 /nfs/dbraw/zinc/66/98/76/630669876.db2.gz KMXVZXQZKQYIFS-NSHDSACASA-N 1 0 283.799 3.167 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CC2(N(C)C)CCC2)c1O ZINC000808716359 630670491 /nfs/dbraw/zinc/67/04/91/630670491.db2.gz VZVWXBNMCDOHOW-LBPRGKRZSA-N 1 0 296.842 3.489 20 10 CGCDRO CCOc1ccc(C[N@H+](CC)Cc2ccncc2)c(O)c1 ZINC000809726112 630793182 /nfs/dbraw/zinc/79/31/82/630793182.db2.gz DAGJTSPMGOQVCA-UHFFFAOYSA-N 1 0 286.375 3.208 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000809786641 630808306 /nfs/dbraw/zinc/80/83/06/630808306.db2.gz HQCXNFJJRAQHRE-CYBMUJFWSA-N 1 0 261.365 3.023 20 10 CGCDRO Oc1ccc2c(c1)[C@H]([NH2+]Cc1ccc3c(c1)CCO3)CCC2 ZINC000812718427 631297352 /nfs/dbraw/zinc/29/73/52/631297352.db2.gz KOXGTIODCAOAQF-GOSISDBHSA-N 1 0 295.382 3.494 20 10 CGCDRO CC[C@@]1(C)C[N@H+](Cc2ccc(N(C)C)c(C)c2)CCO1 ZINC000815099898 631716292 /nfs/dbraw/zinc/71/62/92/631716292.db2.gz ODCBFLCEPCPDKE-KRWDZBQOSA-N 1 0 276.424 3.062 20 10 CGCDRO Cc1cc(C[N@H+]2C[C@@H](C)O[C@H](C3CC3)C2)ccc1N(C)C ZINC000815102205 631717343 /nfs/dbraw/zinc/71/73/43/631717343.db2.gz HEPMETZQIIASQG-KDOFPFPSSA-N 1 0 288.435 3.060 20 10 CGCDRO CO[C@@H]1CC[N@H+](Cc2ccc(N(C)C)c(C)c2)[C@H](C)C1 ZINC000815107158 631719092 /nfs/dbraw/zinc/71/90/92/631719092.db2.gz HHCWLCBKRLHBGD-GDBMZVCRSA-N 1 0 276.424 3.060 20 10 CGCDRO C[C@H]([NH2+]CCCSc1nccs1)[C@@]1(C)CCCO1 ZINC000815581373 631799542 /nfs/dbraw/zinc/79/95/42/631799542.db2.gz DRVSRIIPAQYZAW-WCQYABFASA-N 1 0 286.466 3.173 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@H]2CC[C@@H](CO)CC2)c(O)c1 ZINC000815588333 631802312 /nfs/dbraw/zinc/80/23/12/631802312.db2.gz KURUMWXPZUDYRC-SOUVJXGZSA-N 1 0 277.408 3.211 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H](OC)C1CC1)c1ccc(C)cc1O ZINC000815651521 631813280 /nfs/dbraw/zinc/81/32/80/631813280.db2.gz VTAAPWGGCBJMEE-ZBFHGGJFSA-N 1 0 263.381 3.166 20 10 CGCDRO CCn1cc(C[N@H+](C)Cc2ccc3ccccc3c2O)cn1 ZINC000816512451 631998124 /nfs/dbraw/zinc/99/81/24/631998124.db2.gz JNSVHERLLTWKPH-UHFFFAOYSA-N 1 0 295.386 3.394 20 10 CGCDRO OCCCC[N@H+](Cc1ccc2ccccc2c1O)C1CC1 ZINC000816509733 631998521 /nfs/dbraw/zinc/99/85/21/631998521.db2.gz ADTQIESOWFOFNM-UHFFFAOYSA-N 1 0 285.387 3.282 20 10 CGCDRO C[C@@H]1C[C@H]([N@H+](C)Cc2ccc3ccccc3c2O)CCN1C ZINC000816514796 632000084 /nfs/dbraw/zinc/00/00/84/632000084.db2.gz HSENTTWRGDGLOQ-RHSMWYFYSA-N 1 0 298.430 3.460 20 10 CGCDRO Oc1c(C[NH2+]C[C@H](O)c2ccccc2)ccc2ccccc21 ZINC000816529539 632004657 /nfs/dbraw/zinc/00/46/57/632004657.db2.gz WQPGAEKYFXJIAC-SFHVURJKSA-N 1 0 293.366 3.369 20 10 CGCDRO C[C@H](O)[C@H]1CCC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816564367 632012842 /nfs/dbraw/zinc/01/28/42/632012842.db2.gz COEVEDSMEQGISL-ZFWWWQNUSA-N 1 0 285.387 3.138 20 10 CGCDRO C[C@H](CO)CCC[NH2+]Cc1ccc2ccccc2c1O ZINC000816559813 632012893 /nfs/dbraw/zinc/01/28/93/632012893.db2.gz WBLNPTGSRRCOMC-ZDUSSCGKSA-N 1 0 273.376 3.044 20 10 CGCDRO CN(C)c1ccc(CN2CC[N@H+](C)Cc3ccccc32)cc1 ZINC000816617532 632025385 /nfs/dbraw/zinc/02/53/85/632025385.db2.gz CAWCAXDZWRKHGR-UHFFFAOYSA-N 1 0 295.430 3.205 20 10 CGCDRO COc1cccc(C[N@@H+]2CC(C)(C)[C@@H]2C(C)C)c1O ZINC000816625121 632027141 /nfs/dbraw/zinc/02/71/41/632027141.db2.gz RZIAQFBAAWVDLK-HNNXBMFYSA-N 1 0 263.381 3.267 20 10 CGCDRO Cc1cccc(C[NH2+]C[C@H]2CC23CCSCC3)c1O ZINC000817411452 632142711 /nfs/dbraw/zinc/14/27/11/632142711.db2.gz RMSOYXNAUQJVFX-CQSZACIVSA-N 1 0 277.433 3.324 20 10 CGCDRO CC[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2O)CCO1 ZINC000817414960 632145082 /nfs/dbraw/zinc/14/50/82/632145082.db2.gz NIVLLRVEVZIPIF-CHWSQXEVSA-N 1 0 269.772 3.093 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](CCO)CC2)c1O ZINC000817418729 632146708 /nfs/dbraw/zinc/14/67/08/632146708.db2.gz DDNCWCHJSQIRPW-ZDUSSCGKSA-N 1 0 297.826 3.339 20 10 CGCDRO COC1([C@@H](C)[NH2+]Cc2ccc3c(c2)CCO3)CCCC1 ZINC000817574783 632186179 /nfs/dbraw/zinc/18/61/79/632186179.db2.gz RLHXHIAEDJJIHS-CYBMUJFWSA-N 1 0 275.392 3.059 20 10 CGCDRO C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cc(F)cc(F)c1[O-] ZINC000817585248 632190945 /nfs/dbraw/zinc/19/09/45/632190945.db2.gz DJYUCURZWXCGFV-PKSQDBQZSA-N 1 0 298.377 3.194 20 10 CGCDRO CC[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc(C)ccc2O)CCO1 ZINC000817585554 632192102 /nfs/dbraw/zinc/19/21/02/632192102.db2.gz GOVWNBKOKKAQRY-BFHYXJOUSA-N 1 0 263.381 3.309 20 10 CGCDRO C[C@@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1ccsc1 ZINC000817938484 632239668 /nfs/dbraw/zinc/23/96/68/632239668.db2.gz LFBMRJHJGDVYPZ-WBMJQRKESA-N 1 0 289.448 3.165 20 10 CGCDRO CCC[C@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)C1CCC1 ZINC000817942582 632240476 /nfs/dbraw/zinc/24/04/76/632240476.db2.gz PQVVOEGNYRGQSP-MSOLQXFVSA-N 1 0 289.467 3.311 20 10 CGCDRO C[C@@H]1CC[C@H](C)[C@H]([NH2+]C[C@H](N)c2ccc(N(C)C)cc2)C1 ZINC000817942150 632241002 /nfs/dbraw/zinc/24/10/02/632241002.db2.gz MNZUBVUTVNUAJW-IDCJVQTKSA-N 1 0 289.467 3.167 20 10 CGCDRO C[C@H]([NH3+])CC[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000817952782 632247927 /nfs/dbraw/zinc/24/79/27/632247927.db2.gz MMFRZDRFJGZDTL-YUMQZZPRSA-N 1 0 277.195 3.087 20 10 CGCDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)c1ccnc(Cl)c1 ZINC000817956292 632251194 /nfs/dbraw/zinc/25/11/94/632251194.db2.gz VUHSWGDSFARACH-LLVKDONJSA-N 1 0 275.783 3.211 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCc2ccc(N)cc2)cc1 ZINC000817955819 632251376 /nfs/dbraw/zinc/25/13/76/632251376.db2.gz ILIHPELSCIYRMK-AWEZNQCLSA-N 1 0 254.377 3.471 20 10 CGCDRO C[C@H]([NH2+][C@@H](CN)C1CCCCC1)c1cc(F)ccc1O ZINC000817957895 632253340 /nfs/dbraw/zinc/25/33/40/632253340.db2.gz FWGBOXAGWAFJQS-NHYWBVRUSA-N 1 0 280.387 3.090 20 10 CGCDRO C[C@H]([NH2+]CCc1ccc(N)cc1)c1cc(F)ccc1O ZINC000817957884 632253603 /nfs/dbraw/zinc/25/36/03/632253603.db2.gz QJOGTKMGJASFIH-NSHDSACASA-N 1 0 274.339 3.007 20 10 CGCDRO CCCC[C@H](CN)[NH2+][C@@H](CC)c1ccc(N(C)C)cc1 ZINC000817962526 632257376 /nfs/dbraw/zinc/25/73/76/632257376.db2.gz JNWNHIIRVRYFCZ-WBVHZDCISA-N 1 0 277.456 3.311 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H](C)C[NH3+])c1cc(Cl)cc(Cl)c1[O-] ZINC000817962272 632257476 /nfs/dbraw/zinc/25/74/76/632257476.db2.gz KGCKXKNVNPNXIU-PRHODGIISA-N 1 0 291.222 3.335 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)N[C@@H]2C[NH2+]CC[C@@H]2C)c1O ZINC000817968029 632261528 /nfs/dbraw/zinc/26/15/28/632261528.db2.gz GHHLILGQETYSPG-NURSFMCSSA-N 1 0 282.815 3.003 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+][C@H](CN)C2CCCC2)c2c1c(F)ccc2O ZINC000817982698 632272898 /nfs/dbraw/zinc/27/28/98/632272898.db2.gz VNDBBNLPMXUIKA-LERXQTSPSA-N 1 0 292.398 3.187 20 10 CGCDRO COc1cccc(O)c1C[NH2+][C@H]1C[C@@]1(F)c1ccccc1 ZINC000818231083 632299916 /nfs/dbraw/zinc/29/99/16/632299916.db2.gz VCYXIKUFRFAGQU-DLBZAZTESA-N 1 0 287.334 3.128 20 10 CGCDRO c1cc(N2CCCC2)ccc1OCCC1CC[NH2+]CC1 ZINC000818619456 632342411 /nfs/dbraw/zinc/34/24/11/632342411.db2.gz DBMRFKLUEGWIAR-UHFFFAOYSA-N 1 0 274.408 3.055 20 10 CGCDRO C[C@@H](c1cccnc1)N1CCCc2cc(C[NH3+])ccc21 ZINC000844219208 635833853 /nfs/dbraw/zinc/83/38/53/635833853.db2.gz IKBZHYYDVDGNLD-ZDUSSCGKSA-N 1 0 267.376 3.054 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C(C)(C)[C@@H]2CCCCO2)cc1C ZINC000865746403 632875412 /nfs/dbraw/zinc/87/54/12/632875412.db2.gz MXSQOPQSBLSNMT-INIZCTEOSA-N 1 0 277.408 3.446 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)c(O)c1 ZINC000866444277 633135152 /nfs/dbraw/zinc/13/51/52/633135152.db2.gz FASXZORCSXBMBQ-AWQRTQIDSA-N 1 0 287.403 3.083 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]Cc1cccc3c1CCOC3)CC2 ZINC000866479733 633152292 /nfs/dbraw/zinc/15/22/92/633152292.db2.gz YTRJEPPQZMDLOX-QGZVFWFLSA-N 1 0 295.382 3.242 20 10 CGCDRO CS[C@H]1C[C@H]([NH2+][C@@H](C)c2cc(F)ccc2O)C1 ZINC000866488125 633157402 /nfs/dbraw/zinc/15/74/02/633157402.db2.gz KIXBIVNTOYKISU-LSJOCFKGSA-N 1 0 255.358 3.076 20 10 CGCDRO COC(C)(C)CC[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000866505184 633165142 /nfs/dbraw/zinc/16/51/42/633165142.db2.gz JEPSHPBKNYEZGL-ZDUSSCGKSA-N 1 0 265.397 3.475 20 10 CGCDRO C[C@H]([NH2+]CCc1cn(C)c2ncccc12)c1ccccc1O ZINC000866569936 633198758 /nfs/dbraw/zinc/19/87/58/633198758.db2.gz CAKNJMVWCFMOHU-ZDUSSCGKSA-N 1 0 295.386 3.172 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)c2ccnn2C)c1O ZINC000866616156 633215204 /nfs/dbraw/zinc/21/52/04/633215204.db2.gz ZJMJJYWNBDKKFN-QWRGUYRKSA-N 1 0 293.798 3.499 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCn3nccc32)c(O)c1C ZINC000866631442 633221569 /nfs/dbraw/zinc/22/15/69/633221569.db2.gz AHHKCKDCCAJALC-ZFWWWQNUSA-N 1 0 285.391 3.391 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCn3nccc32)c(O)c1C ZINC000866631435 633221578 /nfs/dbraw/zinc/22/15/78/633221578.db2.gz AHHKCKDCCAJALC-DZGCQCFKSA-N 1 0 285.391 3.391 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CC[C@@H](O)C2CCCC2)c(O)c1 ZINC000866637535 633226464 /nfs/dbraw/zinc/22/64/64/633226464.db2.gz IFMSTRXSNPSDGB-CZUORRHYSA-N 1 0 277.408 3.292 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2CCCc3ccccc3C2)c(O)c1 ZINC000824320906 633229716 /nfs/dbraw/zinc/22/97/16/633229716.db2.gz MIQWHVCWLBUWGK-KRWDZBQOSA-N 1 0 297.398 3.438 20 10 CGCDRO COC1(C[NH2+]Cc2cc(Cl)cc(C)c2O)CCCC1 ZINC000824445903 633246855 /nfs/dbraw/zinc/24/68/55/633246855.db2.gz OMCLGTXKXROJFY-UHFFFAOYSA-N 1 0 283.799 3.403 20 10 CGCDRO CC[C@H](CO)[N@H+](C)Cc1cc(-c2ccccc2)ccc1O ZINC000824533754 633255635 /nfs/dbraw/zinc/25/56/35/633255635.db2.gz MRZKTAMZKXKEHU-QGZVFWFLSA-N 1 0 285.387 3.262 20 10 CGCDRO Oc1ccc(F)cc1C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000824697114 633274286 /nfs/dbraw/zinc/27/42/86/633274286.db2.gz YXZIPUBZYPUESX-ZMSDIMECSA-N 1 0 293.382 3.047 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1O ZINC000824695707 633274706 /nfs/dbraw/zinc/27/47/06/633274706.db2.gz BKUGWDCMHZQVIK-BBWFWOEESA-N 1 0 289.419 3.216 20 10 CGCDRO CO[C@](C)(C[NH2+]Cc1cc(F)ccc1O)c1ccccc1 ZINC000824779685 633287699 /nfs/dbraw/zinc/28/76/99/633287699.db2.gz ACZODKGOFKDPMZ-QGZVFWFLSA-N 1 0 289.350 3.183 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]C[C@H]2CCO[C@H](C(C)C)C2)c1 ZINC000824800452 633293088 /nfs/dbraw/zinc/29/30/88/633293088.db2.gz XXTIWWXYFDNWIF-YOEHRIQHSA-N 1 0 277.408 3.241 20 10 CGCDRO CCOc1ccc(C[NH2+]C[C@@H]2CCCC2(F)F)c(O)c1 ZINC000824799051 633293208 /nfs/dbraw/zinc/29/32/08/633293208.db2.gz JXNUCJLWIARJQM-LBPRGKRZSA-N 1 0 285.334 3.316 20 10 CGCDRO CC(C)(O)C(C)(C)C[NH2+]Cc1ccc2ccccc2c1O ZINC000825202716 633336137 /nfs/dbraw/zinc/33/61/37/633336137.db2.gz URVPCXVZVYEIBN-UHFFFAOYSA-N 1 0 287.403 3.432 20 10 CGCDRO COC[C@@H]([NH2+]Cc1cc(Cl)c(C)cc1O)c1ccco1 ZINC000825325757 633345601 /nfs/dbraw/zinc/34/56/01/633345601.db2.gz IMWFCEJVSOEPPT-CYBMUJFWSA-N 1 0 295.766 3.424 20 10 CGCDRO CC(C)[N@@H+]1CC[C@H](N(C)Cc2ccc3ccccc3c2O)C1 ZINC000825337476 633346737 /nfs/dbraw/zinc/34/67/37/633346737.db2.gz GSSNXTRYFHYBOQ-KRWDZBQOSA-N 1 0 298.430 3.460 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H](C)C[C@H]2CCOC2)cc1Cl ZINC000825347085 633348146 /nfs/dbraw/zinc/34/81/46/633348146.db2.gz IROGXKBTZXZONW-VXGBXAGGSA-N 1 0 283.799 3.259 20 10 CGCDRO CO[C@@H]1C[N@H+](Cc2cc(Cl)c(C)cc2O)CC[C@H]1C ZINC000825633563 633368673 /nfs/dbraw/zinc/36/86/73/633368673.db2.gz AXUJUFLAMHZIJV-MEBBXXQBSA-N 1 0 283.799 3.211 20 10 CGCDRO CCc1cccc(C[NH+]2CC(COC)(C3CCC3)C2)c1O ZINC000827012098 633448516 /nfs/dbraw/zinc/44/85/16/633448516.db2.gz SBUOWIKMWWSKEG-UHFFFAOYSA-N 1 0 289.419 3.203 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CCC[C@H](CCF)C2)c(O)c1 ZINC000827271840 633476796 /nfs/dbraw/zinc/47/67/96/633476796.db2.gz UDFPBXQWDQDLJP-CYBMUJFWSA-N 1 0 281.371 3.363 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@H]3C[C@H]3C2)c1O ZINC000827506305 633495681 /nfs/dbraw/zinc/49/56/81/633495681.db2.gz GIRKTEMHDUXTBK-QWRGUYRKSA-N 1 0 251.757 3.196 20 10 CGCDRO Oc1c(C[N@@H+]2CC[C@H]3COC[C@H]3C2)ccc2ccccc21 ZINC000827601736 633502168 /nfs/dbraw/zinc/50/21/68/633502168.db2.gz HSACGHRXAWOCFF-JKSUJKDBSA-N 1 0 283.371 3.014 20 10 CGCDRO COc1cccc(C[N@H+](CCC2CC2)CC2CC2)c1O ZINC000827729664 633513250 /nfs/dbraw/zinc/51/32/50/633513250.db2.gz XSMYHUOYGQFZTN-UHFFFAOYSA-N 1 0 275.392 3.413 20 10 CGCDRO COCC1([NH2+]Cc2cccc(C)c2O)CCCCC1 ZINC000827934666 633536564 /nfs/dbraw/zinc/53/65/64/633536564.db2.gz NCFPQMCKMKOMCE-UHFFFAOYSA-N 1 0 263.381 3.140 20 10 CGCDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)C1=CC(=O)CS1 ZINC000829678586 633765122 /nfs/dbraw/zinc/76/51/22/633765122.db2.gz NPTIOYZLVDAEPB-UHFFFAOYSA-N 1 0 290.388 3.076 20 10 CGCDRO Cc1cc(C[N@H+]2C[C@@H](C)OC3(CCC3)C2)ccc1N(C)C ZINC000830740372 633882725 /nfs/dbraw/zinc/88/27/25/633882725.db2.gz SHWNRPPBGOCIIN-OAHLLOKOSA-N 1 0 288.435 3.204 20 10 CGCDRO CCC[C@H](C)[C@H](CO)[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000846183714 636154746 /nfs/dbraw/zinc/15/47/46/636154746.db2.gz JHMJRXMEHYYDPM-YDHLFZDLSA-N 1 0 265.397 3.148 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2C[C@H]3CCC[C@H]3O2)c1O ZINC000872106396 634028656 /nfs/dbraw/zinc/02/86/56/634028656.db2.gz GADVGMQLEAITGK-SFDCQRBFSA-N 1 0 291.391 3.009 20 10 CGCDRO C[C@@H]([NH2+]CCC[C@H]1CCOC1=O)c1cc(Cl)ccc1O ZINC000872111443 634035048 /nfs/dbraw/zinc/03/50/48/634035048.db2.gz CVWDUKVPHIIATO-MNOVXSKESA-N 1 0 297.782 3.040 20 10 CGCDRO CC[C@H]([NH2+]CCC[C@H]1CCOC1=O)c1ccc(C)cc1O ZINC000872114911 634040219 /nfs/dbraw/zinc/04/02/19/634040219.db2.gz YRVXAQDVCWETHJ-ZFWWWQNUSA-N 1 0 291.391 3.085 20 10 CGCDRO CC[C@@H]([NH2+]CCC[C@H]1CCOC1=O)c1ccc(C)cc1O ZINC000872114907 634040433 /nfs/dbraw/zinc/04/04/33/634040433.db2.gz YRVXAQDVCWETHJ-DZGCQCFKSA-N 1 0 291.391 3.085 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@H](C)C(C)(C)C)c1O ZINC000846211068 636159490 /nfs/dbraw/zinc/15/94/90/636159490.db2.gz AKMKJSKYKWLYDW-WDEREUQCSA-N 1 0 251.370 3.486 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCCC[C@H]2COC)cc1 ZINC000832620667 634075526 /nfs/dbraw/zinc/07/55/26/634075526.db2.gz KUOYZKDGVORIFF-KRWDZBQOSA-N 1 0 276.424 3.144 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]CCOc1cccc(F)c1)CC2 ZINC000834526580 634176301 /nfs/dbraw/zinc/17/63/01/634176301.db2.gz KNIJNBLCGOXUEI-OAHLLOKOSA-N 1 0 287.334 3.187 20 10 CGCDRO C[C@H](COc1ccccc1)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834542976 634178752 /nfs/dbraw/zinc/17/87/52/634178752.db2.gz BIMVSUACTVIFBR-CJNGLKHVSA-N 1 0 283.371 3.437 20 10 CGCDRO CC(C)CC[C@@](C)(O)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834599419 634194582 /nfs/dbraw/zinc/19/45/82/634194582.db2.gz YNAPPEYOXVCOFF-RHSMWYFYSA-N 1 0 277.408 3.156 20 10 CGCDRO Cc1ccsc1[C@H](CO)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834676698 634217293 /nfs/dbraw/zinc/21/72/93/634217293.db2.gz XZUWJZQOVHFVOS-STQMWFEESA-N 1 0 289.400 3.073 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2CCc3cccc(O)c32)c(F)c1 ZINC000834680957 634218723 /nfs/dbraw/zinc/21/87/23/634218723.db2.gz QERVHXSFJGKUHF-HNNXBMFYSA-N 1 0 287.334 3.317 20 10 CGCDRO COc1cnccc1[C@@H](C)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834779637 634240798 /nfs/dbraw/zinc/24/07/98/634240798.db2.gz PLMYLPOFVVIWBG-RISCZKNCSA-N 1 0 284.359 3.134 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+][C@H]1CCc3ccccc3OC1)CC2 ZINC000834793882 634243373 /nfs/dbraw/zinc/24/33/73/634243373.db2.gz IPGYWGSDPDYPKE-HOTGVXAUSA-N 1 0 295.382 3.363 20 10 CGCDRO C[C@H]([NH2+]CC1=CCOCC1)c1cc2c(cc1O)CCCC2 ZINC000834859602 634257849 /nfs/dbraw/zinc/25/78/49/634257849.db2.gz FPGRMCUFMFDTAT-ZDUSSCGKSA-N 1 0 287.403 3.268 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]CC2=CCOCC2)c2c1c(F)ccc2O ZINC000834859656 634258396 /nfs/dbraw/zinc/25/83/96/634258396.db2.gz HGOYRKYOSQYBMC-MFKMUULPSA-N 1 0 277.339 3.016 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H](C)CCCO)c1cc(Cl)ccc1O ZINC000834870823 634260324 /nfs/dbraw/zinc/26/03/24/634260324.db2.gz KPLNBQTZYLJHRZ-SMDDNHRTSA-N 1 0 285.815 3.495 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000873155889 634263985 /nfs/dbraw/zinc/26/39/85/634263985.db2.gz HYWGYXGAYZLECB-PGUXBMHVSA-N 1 0 281.783 3.093 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2C[C@H](C)n3ccnc32)c1 ZINC000834892643 634270772 /nfs/dbraw/zinc/27/07/72/634270772.db2.gz CCKWGAXWSDNLMA-SGMGOOAPSA-N 1 0 271.364 3.254 20 10 CGCDRO CCc1nc(C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)co1 ZINC000834896844 634272932 /nfs/dbraw/zinc/27/29/32/634272932.db2.gz CZCLYLJYMXCRGM-LBPRGKRZSA-N 1 0 274.364 3.410 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCC[C@@H]2CCOC2)c(O)c1C ZINC000834901501 634277746 /nfs/dbraw/zinc/27/77/46/634277746.db2.gz AXRHMZMZEYPLRV-HUUCEWRRSA-N 1 0 277.408 3.476 20 10 CGCDRO CO[C@@H]([C@@H](C)[NH2+][C@H](C)c1ccc(C)c(C)c1O)C1CC1 ZINC000834901990 634278930 /nfs/dbraw/zinc/27/89/30/634278930.db2.gz CKBRILIQINOHEC-XNJGSVPQSA-N 1 0 277.408 3.473 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2COCC2(C)C)cc1 ZINC000834904922 634280863 /nfs/dbraw/zinc/28/08/63/634280863.db2.gz QYTPOKVWTLINCT-CZUORRHYSA-N 1 0 276.424 3.218 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCc2cnc(C)cn2)cc1 ZINC000834908144 634283049 /nfs/dbraw/zinc/28/30/49/634283049.db2.gz HFSFEGFGCSQPAV-HNNXBMFYSA-N 1 0 298.434 3.134 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCOC(C)(C)C2)c1 ZINC000834908286 634283128 /nfs/dbraw/zinc/28/31/28/634283128.db2.gz DQUFJVYCMDZEQN-CHWSQXEVSA-N 1 0 293.407 3.257 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](O)C2CCC2)c1O ZINC000834906935 634283262 /nfs/dbraw/zinc/28/32/62/634283262.db2.gz UPDKCYGYIWYXQP-YGRLFVJLSA-N 1 0 283.799 3.166 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](O)C2CCC2)c1O ZINC000834906934 634283529 /nfs/dbraw/zinc/28/35/29/634283529.db2.gz UPDKCYGYIWYXQP-QMTHXVAHSA-N 1 0 283.799 3.166 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@H](C)O2)cc1 ZINC000834914986 634286030 /nfs/dbraw/zinc/28/60/30/634286030.db2.gz LQNRRBPENUKKQO-ZQIUZPCESA-N 1 0 276.424 3.361 20 10 CGCDRO C[C@@H]1CSCC[N@@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC000835027761 634325241 /nfs/dbraw/zinc/32/52/41/634325241.db2.gz GTOKHHUFOOCBCQ-ISZGNANSSA-N 1 0 276.449 3.203 20 10 CGCDRO Cc1noc(C)c1CC[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835036429 634326767 /nfs/dbraw/zinc/32/67/67/634326767.db2.gz CZVFCNSYJSKQSN-AATRIKPKSA-N 1 0 299.418 3.203 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+]CCc2ccc(O)cc2)cc1 ZINC000835038291 634328445 /nfs/dbraw/zinc/32/84/45/634328445.db2.gz VDUGRZQACLYGLG-ONEGZZNKSA-N 1 0 296.414 3.304 20 10 CGCDRO CSCCCC[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835040922 634329589 /nfs/dbraw/zinc/32/95/89/634329589.db2.gz SUMUZCAGMAFWTM-VOTSOKGWSA-N 1 0 278.465 3.499 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+]CCC(F)(F)F)cc1 ZINC000835044277 634331415 /nfs/dbraw/zinc/33/14/15/634331415.db2.gz YVFHJWMDMAQKPK-ARJAWSKDSA-N 1 0 272.314 3.308 20 10 CGCDRO CC[C@]1(CO)CCC[N@@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC000835046760 634333570 /nfs/dbraw/zinc/33/35/70/634333570.db2.gz ZMSCMWTYIRYDFC-SUQGKYDKSA-N 1 0 288.435 3.003 20 10 CGCDRO CC[C@@]1(CO)CCC[N@@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC000835046756 634333604 /nfs/dbraw/zinc/33/36/04/634333604.db2.gz ZMSCMWTYIRYDFC-FZMUQLTDSA-N 1 0 288.435 3.003 20 10 CGCDRO CN(C)c1ccc(/C=C\C[N@H+](C)Cc2ccncc2)cc1 ZINC000835047284 634334695 /nfs/dbraw/zinc/33/46/95/634334695.db2.gz FSIJSBIQZLFRTH-PLNGDYQASA-N 1 0 281.403 3.293 20 10 CGCDRO CCSCCC[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835050573 634336226 /nfs/dbraw/zinc/33/62/26/634336226.db2.gz UXYGTTNOKUVKQA-ALCCZGGFSA-N 1 0 278.465 3.499 20 10 CGCDRO COCC1(C[NH2+]C/C=C\c2ccc(N(C)C)cc2)CCC1 ZINC000835050545 634336358 /nfs/dbraw/zinc/33/63/58/634336358.db2.gz UIPDKLREYATLOS-XQRVVYSFSA-N 1 0 288.435 3.172 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@@H]2CCSC2)cc1 ZINC000835051792 634336978 /nfs/dbraw/zinc/33/69/78/634336978.db2.gz JPEZRMWSCKVAMY-BWPKMQGJSA-N 1 0 276.449 3.109 20 10 CGCDRO CCC[C@@]1([NH2+]C/C=C\c2ccc(N(C)C)cc2)CCOC1 ZINC000835053400 634338419 /nfs/dbraw/zinc/33/84/19/634338419.db2.gz MOFPPSKLAUFDRD-OOFWQKGWSA-N 1 0 288.435 3.315 20 10 CGCDRO Cc1cccc(O)c1C[NH+]1CCC(OCC(C)C)CC1 ZINC000876627146 634870823 /nfs/dbraw/zinc/87/08/23/634870823.db2.gz PAQMWYIXRXOKBT-UHFFFAOYSA-N 1 0 277.408 3.338 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000876762809 634895721 /nfs/dbraw/zinc/89/57/21/634895721.db2.gz HBJSVEGWASYRIL-QGZVFWFLSA-N 1 0 275.392 3.093 20 10 CGCDRO Cc1cccc(O)c1C[NH+]1CCC(OCC2CC2)CC1 ZINC000876772708 634896351 /nfs/dbraw/zinc/89/63/51/634896351.db2.gz RIPYMYYLQQTZRZ-UHFFFAOYSA-N 1 0 275.392 3.092 20 10 CGCDRO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1ccc(C)cc1O ZINC000876806691 634902182 /nfs/dbraw/zinc/90/21/82/634902182.db2.gz RXPDVZVAZNQSMO-MRXNPFEDSA-N 1 0 285.391 3.080 20 10 CGCDRO Cc1ccc(C[NH2+]C[C@H]2COc3ccccc3C2)c(O)c1 ZINC000876875902 634919278 /nfs/dbraw/zinc/91/92/78/634919278.db2.gz DTLONLWKYDKXFC-AWEZNQCLSA-N 1 0 283.371 3.042 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]C[C@@H]1OCCc2ccccc21 ZINC000877037132 634959353 /nfs/dbraw/zinc/95/93/53/634959353.db2.gz KTQBQYWRSCCLIJ-SFHVURJKSA-N 1 0 283.371 3.104 20 10 CGCDRO CCO[C@H]1C[C@H]([NH2+]Cc2c(C)cccc2O)C12CCC2 ZINC000877043627 634961507 /nfs/dbraw/zinc/96/15/07/634961507.db2.gz MACSCDQXCNFCKW-HOTGVXAUSA-N 1 0 275.392 3.138 20 10 CGCDRO CCC[C@H](C[NH2+]CCCSc1nccs1)OC ZINC000877061356 634967380 /nfs/dbraw/zinc/96/73/80/634967380.db2.gz FRRTZNBVCRZAIJ-LLVKDONJSA-N 1 0 274.455 3.030 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c(O)c1 ZINC000877117587 634989268 /nfs/dbraw/zinc/98/92/68/634989268.db2.gz KHRXDCVDAHCBRP-DJIMGWMZSA-N 1 0 287.403 3.138 20 10 CGCDRO Cc1ccc(C[N@H+](CCO)Cc2c(C)cccc2O)cc1 ZINC000877197913 635012890 /nfs/dbraw/zinc/01/28/90/635012890.db2.gz YCBIXZGWJSEEFF-UHFFFAOYSA-N 1 0 285.387 3.004 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@@H]1C[C@H]1C ZINC000840718085 635041417 /nfs/dbraw/zinc/04/14/17/635041417.db2.gz LGVIZOMMVPYHJD-OLMNPRSZSA-N 1 0 288.435 3.047 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)[C@@H]1C[C@H]1C ZINC000840721964 635042189 /nfs/dbraw/zinc/04/21/89/635042189.db2.gz XBTYZDHUWFUFLO-NQBHXWOUSA-N 1 0 250.361 3.026 20 10 CGCDRO COCC[C@H](C)C[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000840836249 635060907 /nfs/dbraw/zinc/06/09/07/635060907.db2.gz WLVJGKRULQHRPR-QWRGUYRKSA-N 1 0 271.788 3.369 20 10 CGCDRO Cc1cc(C)cc([C@@H](O)C[NH2+]Cc2c(C)cccc2O)c1 ZINC000877503634 635063399 /nfs/dbraw/zinc/06/33/99/635063399.db2.gz RTAKSKASNRFHNJ-SFHVURJKSA-N 1 0 285.387 3.141 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCCOCC2CC2)c(Cl)c1 ZINC000840874459 635070064 /nfs/dbraw/zinc/07/00/64/635070064.db2.gz ZRNYFGDXNFOSIU-UHFFFAOYSA-N 1 0 283.799 3.260 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCCCn2ccnc2)c(Cl)c1 ZINC000840883778 635073279 /nfs/dbraw/zinc/07/32/79/635073279.db2.gz XQIODIWKGXODEP-UHFFFAOYSA-N 1 0 293.798 3.121 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCCCO2)c(Cl)c1 ZINC000840884345 635074473 /nfs/dbraw/zinc/07/44/73/635074473.db2.gz KQOZCXYIBLBEFV-LLVKDONJSA-N 1 0 269.772 3.013 20 10 CGCDRO Cc1cc(C[C@H](C)[NH2+]Cc2c(O)cc(C)cc2Cl)[nH]n1 ZINC000840908781 635080154 /nfs/dbraw/zinc/08/01/54/635080154.db2.gz JJUKBCTYHAUJPC-JTQLQIEISA-N 1 0 293.798 3.106 20 10 CGCDRO Cc1ncsc1C[N@@H+](C)Cc1ccc(N(C)C)cc1C ZINC000840914959 635081122 /nfs/dbraw/zinc/08/11/22/635081122.db2.gz WYKNAQQSJSSFIJ-UHFFFAOYSA-N 1 0 289.448 3.458 20 10 CGCDRO Cc1nc(C[NH2+]Cc2ccc(N(C)C)cc2C)sc1C ZINC000840934682 635084970 /nfs/dbraw/zinc/08/49/70/635084970.db2.gz VMZJLZVJARRWED-UHFFFAOYSA-N 1 0 289.448 3.424 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCOCC3(CCC3)C2)c(Cl)c1 ZINC000840939565 635086818 /nfs/dbraw/zinc/08/68/18/635086818.db2.gz NWUZZNMWNYGTQY-UHFFFAOYSA-N 1 0 295.810 3.357 20 10 CGCDRO Cc1cc(O)c(C[N@H+](C)CCc2ccccn2)c(Cl)c1 ZINC000840939713 635087085 /nfs/dbraw/zinc/08/70/85/635087085.db2.gz OSBHVZXWKZEREO-UHFFFAOYSA-N 1 0 290.794 3.424 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCc2ncccc2C)c(Cl)c1 ZINC000840951568 635090680 /nfs/dbraw/zinc/09/06/80/635090680.db2.gz YUCIUYHDBNIDAV-UHFFFAOYSA-N 1 0 290.794 3.390 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]Cc1ccnc(C(F)(F)F)c1 ZINC000877561669 635092252 /nfs/dbraw/zinc/09/22/52/635092252.db2.gz JJXAZQBKPVNFPM-UHFFFAOYSA-N 1 0 296.292 3.404 20 10 CGCDRO COc1cccc(O)c1C[NH2+]C[C@H]1CCC[C@H]1C1CC1 ZINC000840955311 635092333 /nfs/dbraw/zinc/09/23/33/635092333.db2.gz UJFCPXXYPQKANH-KGLIPLIRSA-N 1 0 275.392 3.317 20 10 CGCDRO CO[C@](C)([C@@H](C)[NH2+]Cc1cc(Cl)ccc1O)C1CC1 ZINC000840961000 635094291 /nfs/dbraw/zinc/09/42/91/635094291.db2.gz PHEOOOBOQZIEOU-MEBBXXQBSA-N 1 0 283.799 3.339 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C(C)(C)COC(C)C ZINC000840973890 635098201 /nfs/dbraw/zinc/09/82/01/635098201.db2.gz RAIWMALOIGMZQL-UHFFFAOYSA-N 1 0 278.440 3.354 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1cccnc1 ZINC000840976750 635098787 /nfs/dbraw/zinc/09/87/87/635098787.db2.gz QQUJIRCOGODNAG-HNNXBMFYSA-N 1 0 283.419 3.177 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1cc[nH]c1 ZINC000840976679 635099392 /nfs/dbraw/zinc/09/93/92/635099392.db2.gz PUNVPNTXWQWJNJ-CQSZACIVSA-N 1 0 271.408 3.110 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]C[C@H]1CCCOC1 ZINC000840975703 635099453 /nfs/dbraw/zinc/09/94/53/635099453.db2.gz KNRCGDPQJNCSOX-HZPDHXFCSA-N 1 0 290.451 3.008 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]C[C@@H](C)CC(F)(F)F ZINC000877588906 635104060 /nfs/dbraw/zinc/10/40/60/635104060.db2.gz BTHDCRNYCCGZII-VIFPVBQESA-N 1 0 261.287 3.379 20 10 CGCDRO Cc1cccc(O)c1C[NH2+][C@H]1C[C@@H](OC(C)(C)C)C1 ZINC000877607014 635109879 /nfs/dbraw/zinc/10/98/79/635109879.db2.gz TVIVIPNLNYFSFN-BETUJISGSA-N 1 0 263.381 3.136 20 10 CGCDRO Cc1cccc(O)c1C[NH2+][C@H](c1ccccc1F)[C@@H](C)O ZINC000877610207 635110427 /nfs/dbraw/zinc/11/04/27/635110427.db2.gz HKZCLOPGFYUCHL-PXAZEXFGSA-N 1 0 289.350 3.051 20 10 CGCDRO Nc1ccc(CC[NH2+]Cc2ccccc2C2CC2)cc1 ZINC000841037077 635111222 /nfs/dbraw/zinc/11/12/22/635111222.db2.gz YFHXQJDBUILLMK-UHFFFAOYSA-N 1 0 266.388 3.479 20 10 CGCDRO Cc1ccc(C[NH2+][C@H](c2ccccc2F)[C@H](C)O)c(O)c1 ZINC000877610925 635111202 /nfs/dbraw/zinc/11/12/02/635111202.db2.gz MDNRHAZPYDBZRB-SJCJKPOMSA-N 1 0 289.350 3.051 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@@H](N)c2ccccc2)cc1 ZINC000841035421 635111408 /nfs/dbraw/zinc/11/14/08/635111408.db2.gz GXGUMGIXXULZDE-OVKVCFKUSA-N 1 0 295.430 3.055 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]C[C@H]1CC1(Cl)Cl ZINC000877612251 635112227 /nfs/dbraw/zinc/11/22/27/635112227.db2.gz GEINOJMGFRWIPQ-MRVPVSSYSA-N 1 0 280.582 3.329 20 10 CGCDRO C[C@H]1CC([NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)C[C@H](C)C1 ZINC000841041795 635112554 /nfs/dbraw/zinc/11/25/54/635112554.db2.gz CEKQERNATJYONJ-HBUWYVDXSA-N 1 0 289.467 3.167 20 10 CGCDRO CC(C)C[C@H](C)C[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000841042012 635113171 /nfs/dbraw/zinc/11/31/71/635113171.db2.gz JCQMTPQIKBWDDR-WMLDXEAASA-N 1 0 277.456 3.024 20 10 CGCDRO [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000841054973 635115395 /nfs/dbraw/zinc/11/53/95/635115395.db2.gz IZEHETQHKDUQTI-WDEREUQCSA-N 1 0 289.206 3.059 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H]2CCCc3cc(N)ccc32)c1O ZINC000841058094 635116271 /nfs/dbraw/zinc/11/62/71/635116271.db2.gz MXCFIJXKWMYLMN-QGZVFWFLSA-N 1 0 282.387 3.450 20 10 CGCDRO C[NH2+]Cc1ccc(NCc2cc(C)ccc2O)cc1 ZINC000841071559 635117602 /nfs/dbraw/zinc/11/76/02/635117602.db2.gz PKXKASFJYZZDCO-UHFFFAOYSA-N 1 0 256.349 3.032 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@H](CCF)C1 ZINC000877631279 635122852 /nfs/dbraw/zinc/12/28/52/635122852.db2.gz OKOTULLQSOTSJH-CYBMUJFWSA-N 1 0 251.345 3.272 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2nc(Cl)cs2)c1 ZINC000877652572 635132779 /nfs/dbraw/zinc/13/27/79/635132779.db2.gz KZVUQYMQFVPZAT-UHFFFAOYSA-N 1 0 268.769 3.100 20 10 CGCDRO Cc1ccc(C(C)(C)C[NH2+]Cc2ccc(C)cc2O)nc1 ZINC000877653425 635133230 /nfs/dbraw/zinc/13/32/30/635133230.db2.gz JZMAYWLASJLGCX-UHFFFAOYSA-N 1 0 284.403 3.471 20 10 CGCDRO COc1ccc([C@@H]([NH2+]Cc2ccc(C)cc2O)C2CC2)cn1 ZINC000877662289 635136648 /nfs/dbraw/zinc/13/66/48/635136648.db2.gz PBELDXXOZPQCEM-SFHVURJKSA-N 1 0 298.386 3.345 20 10 CGCDRO CCOc1ccc(O)c(C[NH+]2CCC(CCF)CC2)c1 ZINC000877675038 635142526 /nfs/dbraw/zinc/14/25/26/635142526.db2.gz UPZAICULUKPBPF-UHFFFAOYSA-N 1 0 281.371 3.363 20 10 CGCDRO CCOc1ccc(C[NH+]2CCC(C)(F)CC2)c(O)c1 ZINC000877700984 635151126 /nfs/dbraw/zinc/15/11/26/635151126.db2.gz YARJVLZJIQTNQS-UHFFFAOYSA-N 1 0 267.344 3.115 20 10 CGCDRO Oc1cccc(Cl)c1C[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000877740735 635175043 /nfs/dbraw/zinc/17/50/43/635175043.db2.gz TUXNPMZQXBOZBR-GHMZBOCLSA-N 1 0 283.824 3.231 20 10 CGCDRO C[C@H](CC1CCOCC1)[NH2+][C@H](C)c1ccccc1O ZINC000877755821 635184565 /nfs/dbraw/zinc/18/45/65/635184565.db2.gz OBWJIQRIKLIDCN-CHWSQXEVSA-N 1 0 263.381 3.248 20 10 CGCDRO CC[C@@H](C)[C@@H](C[NH2+][C@H](C)c1ccccc1O)OC ZINC000877755931 635184645 /nfs/dbraw/zinc/18/46/45/635184645.db2.gz TVISGQGDAXGWMA-LALPHHSUSA-N 1 0 251.370 3.104 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)CCc1cccnc1)c1ccccc1O ZINC000877757472 635186216 /nfs/dbraw/zinc/18/62/16/635186216.db2.gz KLESCTHJTOFKIK-UONOGXRCSA-N 1 0 270.376 3.459 20 10 CGCDRO Cc1c(F)nccc1C[NH2+][C@@H](C)c1ccccc1O ZINC000877758020 635187002 /nfs/dbraw/zinc/18/70/02/635187002.db2.gz DHXFAFZWAVTPAX-NSHDSACASA-N 1 0 260.312 3.086 20 10 CGCDRO CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])C1 ZINC000841744614 635222792 /nfs/dbraw/zinc/22/27/92/635222792.db2.gz JGMKXRJWXRLLHE-STQMWFEESA-N 1 0 296.842 3.428 20 10 CGCDRO C[C@H]([NH2+]CCOC1CCC1)c1ccc(Cl)cc1O ZINC000841749684 635225359 /nfs/dbraw/zinc/22/53/59/635225359.db2.gz GXCBRSPZCUDJQM-JTQLQIEISA-N 1 0 269.772 3.265 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1CCC=CO1)c1ccc(Cl)cc1O ZINC000841753763 635226591 /nfs/dbraw/zinc/22/65/91/635226591.db2.gz VTPFLPCJAWJEKJ-JQWIXIFHSA-N 1 0 267.756 3.389 20 10 CGCDRO Cc1nccnc1CC[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841755562 635229880 /nfs/dbraw/zinc/22/98/80/635229880.db2.gz JHLORAHZJOEOJI-JTQLQIEISA-N 1 0 291.782 3.037 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)[C@@H]1CC1(C)C ZINC000841891689 635248858 /nfs/dbraw/zinc/24/88/58/635248858.db2.gz SPOMKXPTBKJEMQ-NWDGAFQWSA-N 1 0 277.364 3.035 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CC2([C@H](O)C(C)C)CC2)c(Cl)c1 ZINC000842208535 635311655 /nfs/dbraw/zinc/31/16/55/635311655.db2.gz WPKWPRZJGMEMJF-OAHLLOKOSA-N 1 0 297.826 3.241 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](c3cccnc3)C2)cc1C ZINC000842622617 635420294 /nfs/dbraw/zinc/42/02/94/635420294.db2.gz RBJMEGJNUFNKTM-MRXNPFEDSA-N 1 0 282.387 3.394 20 10 CGCDRO c1cc(N2CCCCC2)ccc1CN(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000843055182 635551092 /nfs/dbraw/zinc/55/10/92/635551092.db2.gz GAIRZCPFFGLDND-LJQANCHMSA-N 1 0 299.462 3.003 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)cc1C ZINC000121538179 635647724 /nfs/dbraw/zinc/64/77/24/635647724.db2.gz HIYFDOYGQUDYHW-SUMWQHHRSA-N 1 0 299.418 3.289 20 10 CGCDRO CCOc1cccc(C[NH+]2CC(C)(CC(F)F)C2)c1O ZINC000843424759 635670357 /nfs/dbraw/zinc/67/03/57/635670357.db2.gz IORDHAZQXJKROA-UHFFFAOYSA-N 1 0 285.334 3.268 20 10 CGCDRO Cc1ccc(O)c(C[N@H+]2C[C@H](C)OC3(CCCC3)C2)c1 ZINC000843435898 635675732 /nfs/dbraw/zinc/67/57/32/635675732.db2.gz ZQWQSPVYMQZYES-AWEZNQCLSA-N 1 0 275.392 3.234 20 10 CGCDRO CC(C)N(C(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1O)C(C)C ZINC000879648758 635826755 /nfs/dbraw/zinc/82/67/55/635826755.db2.gz CPJNCIYHNNYOMB-KGLIPLIRSA-N 1 0 292.423 3.077 20 10 CGCDRO C[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1F)c1ccccc1O ZINC000879652065 635828258 /nfs/dbraw/zinc/82/82/58/635828258.db2.gz VTRVLTWZSKVYED-MGPLVRAMSA-N 1 0 293.313 3.055 20 10 CGCDRO COC(=O)c1ccc(C[NH2+][C@@H](C)c2ccccc2O)s1 ZINC000879650996 635828320 /nfs/dbraw/zinc/82/83/20/635828320.db2.gz CKPVJXDPRRHONB-JTQLQIEISA-N 1 0 291.372 3.091 20 10 CGCDRO Cc1cc(C[NH2+]C2(C3CCC3)CC2)ccc1N(C)C ZINC000844416663 635894576 /nfs/dbraw/zinc/89/45/76/635894576.db2.gz CQAGKKDTGXGPTL-UHFFFAOYSA-N 1 0 258.409 3.483 20 10 CGCDRO Nc1ccc(CC[NH2+]Cc2cccc3c2CCC3)cc1 ZINC000844903010 635980728 /nfs/dbraw/zinc/98/07/28/635980728.db2.gz XPQHWVRSSGQDAG-UHFFFAOYSA-N 1 0 266.388 3.090 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@H]2CNc3ccccc3C2)cc1F ZINC000844908588 635981683 /nfs/dbraw/zinc/98/16/83/635981683.db2.gz VPJNWBYINJISQH-OAHLLOKOSA-N 1 0 299.393 3.018 20 10 CGCDRO CCc1ncc(C[NH2+][C@H](C)c2cc(OC)ccc2O)s1 ZINC000845971840 636125767 /nfs/dbraw/zinc/12/57/67/636125767.db2.gz FNFGQFLLWFQYNR-SNVBAGLBSA-N 1 0 292.404 3.271 20 10 CGCDRO CCOc1ccc(C[N@@H+]2C[C@H](CC)OC[C@H]2CC)c(O)c1 ZINC000846027784 636132008 /nfs/dbraw/zinc/13/20/08/636132008.db2.gz QVAZJDVLORYSQQ-CABCVRRESA-N 1 0 293.407 3.180 20 10 CGCDRO C[C@]1(CC[NH2+]Cc2ccc3c(c2)CCO3)C[C@]1(F)Cl ZINC000846041183 636136641 /nfs/dbraw/zinc/13/66/41/636136641.db2.gz ZLSSNWHGMQBSNJ-LSDHHAIUSA-N 1 0 283.774 3.416 20 10 CGCDRO CC[N@H+](C/C=C\c1ccc(N(C)C)cc1)[C@H]1CCCOC1 ZINC000846052638 636139357 /nfs/dbraw/zinc/13/93/57/636139357.db2.gz PLPWBGVTYOJTTR-YEODSOHDSA-N 1 0 288.435 3.267 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]CC2CCSCC2)c1O ZINC000846142876 636149232 /nfs/dbraw/zinc/14/92/32/636149232.db2.gz DGCFAXVPHJGORZ-NSHDSACASA-N 1 0 281.421 3.195 20 10 CGCDRO CCC1(C[NH2+][C@H](C)c2cccc(OC)c2O)CCOCC1 ZINC000846144543 636149385 /nfs/dbraw/zinc/14/93/85/636149385.db2.gz HRPCDSAYTGZEGJ-CYBMUJFWSA-N 1 0 293.407 3.258 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]CCNc2ccccc2)c1O ZINC000846151235 636150509 /nfs/dbraw/zinc/15/05/09/636150509.db2.gz VXYNLLDVYLFNQJ-ZDUSSCGKSA-N 1 0 286.375 3.164 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]CCC2CC(F)(F)C2)c1O ZINC000846168103 636152020 /nfs/dbraw/zinc/15/20/20/636152020.db2.gz GVZOUIRPZKYTNJ-JTQLQIEISA-N 1 0 285.334 3.487 20 10 CGCDRO CCn1ccnc1[C@H](C)[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846168635 636152204 /nfs/dbraw/zinc/15/22/04/636152204.db2.gz LFWAZQKYZUHWIP-RYUDHWBXSA-N 1 0 289.379 3.029 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]C[C@H](CC(C)C)OC)c1O ZINC000846172004 636153525 /nfs/dbraw/zinc/15/35/25/636153525.db2.gz KFVMMRSSZKJLEI-OLZOCXBDSA-N 1 0 281.396 3.113 20 10 CGCDRO CCOCC[N@H+](CC)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000107062167 636425727 /nfs/dbraw/zinc/42/57/27/636425727.db2.gz NTFMSJJHOAJAMJ-UHFFFAOYSA-N 1 0 299.798 3.107 20 10 CGCDRO COCC1(C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)CC1 ZINC000848560428 636606432 /nfs/dbraw/zinc/60/64/32/636606432.db2.gz FJAPKZKQUOHGJG-CMPLNLGQSA-N 1 0 279.355 3.096 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCCN3CCCC[C@@H]23)cc1C ZINC000848575453 636613593 /nfs/dbraw/zinc/61/35/93/636613593.db2.gz QVYVPUHLUBRACU-IRXDYDNUSA-N 1 0 288.435 3.116 20 10 CGCDRO CC[C@H]([NH2+]CCc1ccns1)c1ccc(C)cc1O ZINC000883247802 636617072 /nfs/dbraw/zinc/61/70/72/636617072.db2.gz XCZKWWQUXQDIOG-AWEZNQCLSA-N 1 0 276.405 3.441 20 10 CGCDRO C=C/C=C\CC[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000883259444 636630119 /nfs/dbraw/zinc/63/01/19/636630119.db2.gz MWCNXACNRITPOH-PLNGDYQASA-N 1 0 297.402 3.162 20 10 CGCDRO CO[C@H]1C[C@H](C[NH2+][C@H](C)c2cc(Cl)ccc2O)C1 ZINC000883272272 636643230 /nfs/dbraw/zinc/64/32/30/636643230.db2.gz INTQZDARWXWLKN-CKYFFXLPSA-N 1 0 269.772 3.121 20 10 CGCDRO COC[C@H]1C[C@@H]([NH2+][C@H](C)c2cc(Cl)cc(C)c2O)C1 ZINC000883319997 636671181 /nfs/dbraw/zinc/67/11/81/636671181.db2.gz XBNKUULADWPOMC-WZRBSPASSA-N 1 0 283.799 3.430 20 10 CGCDRO CCOC[C@H]1CCC[N@H+](Cc2cccc(CC)c2O)C1 ZINC000848885846 636673322 /nfs/dbraw/zinc/67/33/22/636673322.db2.gz AQFOLIBMGMHIPL-AWEZNQCLSA-N 1 0 277.408 3.203 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCc3ccccc3[C@H]2CO)c1O ZINC000848886652 636674577 /nfs/dbraw/zinc/67/45/77/636674577.db2.gz GZOUYDHYLIGKQQ-GOSISDBHSA-N 1 0 297.398 3.046 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@H](O)c2cccc(C)c2)c1O ZINC000848898358 636680747 /nfs/dbraw/zinc/68/07/47/636680747.db2.gz BAVZDDBLLVQMSI-KRWDZBQOSA-N 1 0 285.387 3.086 20 10 CGCDRO CCc1cccc(C[NH2+]Cc2nn(C)c3ccccc23)c1O ZINC000848902138 636682473 /nfs/dbraw/zinc/68/24/73/636682473.db2.gz AESATPIXSUJKMD-UHFFFAOYSA-N 1 0 295.386 3.131 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@H]2CCOC3(CCC3)C2)c1O ZINC000848915854 636690254 /nfs/dbraw/zinc/69/02/54/636690254.db2.gz MPUOTKDLMCPXOB-AWEZNQCLSA-N 1 0 289.419 3.394 20 10 CGCDRO CCc1cccc(C[NH2+][C@H](C)[C@@](C)(O)c2ccccc2)c1O ZINC000848919570 636691444 /nfs/dbraw/zinc/69/14/44/636691444.db2.gz NNZLVYKBUGJHKE-AUUYWEPGSA-N 1 0 299.414 3.340 20 10 CGCDRO CCc1cccc(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)c1O ZINC000848919034 636691648 /nfs/dbraw/zinc/69/16/48/636691648.db2.gz QRCZCFUHKCAJLV-CQSZACIVSA-N 1 0 267.319 3.186 20 10 CGCDRO CCc1cccc(C[NH2+][C@H](C2CC2)[C@H]2CCCCO2)c1O ZINC000848922282 636692869 /nfs/dbraw/zinc/69/28/69/636692869.db2.gz PTHLSZXVQDKKDF-IAGOWNOFSA-N 1 0 289.419 3.392 20 10 CGCDRO Cc1cccc(C[NH2+][C@H]2C[C@H](OC(C)(C)C)C2)c1O ZINC000848926163 636698661 /nfs/dbraw/zinc/69/86/61/636698661.db2.gz MFZRPRCNJWEFAP-HDJSIYSDSA-N 1 0 263.381 3.136 20 10 CGCDRO CCc1cccc(C[NH2+][C@H](CC)[C@@H]2CCCCO2)c1O ZINC000848927278 636699065 /nfs/dbraw/zinc/69/90/65/636699065.db2.gz DTBXDGQNHIEHEZ-CVEARBPZSA-N 1 0 277.408 3.392 20 10 CGCDRO C[C@@H]([NH2+]C1CCC2(COC2)CC1)c1cc(F)ccc1O ZINC000883381923 636725188 /nfs/dbraw/zinc/72/51/88/636725188.db2.gz WDSVZPMGUJMXDL-LLVKDONJSA-N 1 0 279.355 3.141 20 10 CGCDRO CCOc1cccc(C[NH2+][C@H]2CCc3cc(N)ccc32)c1O ZINC000849352124 636817723 /nfs/dbraw/zinc/81/77/23/636817723.db2.gz IVJYXOSCNACUQI-INIZCTEOSA-N 1 0 298.386 3.150 20 10 CGCDRO COc1cc(C[NH2+][C@@H](C)[C@@H](C)OC)c(O)c(C(C)(C)C)c1 ZINC000850270600 637002764 /nfs/dbraw/zinc/00/27/64/637002764.db2.gz LVPBBUHNJJDUFJ-NWDGAFQWSA-N 1 0 295.423 3.211 20 10 CGCDRO CCC(O)(CC)C(C)(C)C[NH2+]Cc1cccc(OC)c1O ZINC000850353862 637023906 /nfs/dbraw/zinc/02/39/06/637023906.db2.gz OKZIXFNAWGIIIV-UHFFFAOYSA-N 1 0 295.423 3.068 20 10 CGCDRO CCOCc1cc(C[NH2+][C@@H]2C=CCC2)ccc1OC ZINC000850358698 637027156 /nfs/dbraw/zinc/02/71/56/637027156.db2.gz URMLRRSQNCGACW-OAHLLOKOSA-N 1 0 261.365 3.040 20 10 CGCDRO c1cc(N2CCCC2)ccc1C[NH2+][C@H]1COC2(CCC2)C1 ZINC000850367461 637030982 /nfs/dbraw/zinc/03/09/82/637030982.db2.gz JVQSHJOEQMSQIS-MRXNPFEDSA-N 1 0 286.419 3.088 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H]([C@@H]3CCCO3)C2)cc1C ZINC000884483077 637041245 /nfs/dbraw/zinc/04/12/45/637041245.db2.gz NCYFWBMKODJSRO-PBHICJAKSA-N 1 0 275.392 3.010 20 10 CGCDRO CCOc1cccc(C[NH2+]C[C@@H]2C(C)(C)C2(F)F)c1O ZINC000850394644 637046830 /nfs/dbraw/zinc/04/68/30/637046830.db2.gz XTGQQDCNFWOLAW-GFCCVEGCSA-N 1 0 285.334 3.172 20 10 CGCDRO CCOc1ccc(C[NH2+]CCC2SCCS2)c(O)c1 ZINC000850407994 637051743 /nfs/dbraw/zinc/05/17/43/637051743.db2.gz ZLMMKFGWLKQEBT-UHFFFAOYSA-N 1 0 299.461 3.077 20 10 CGCDRO CCCN(C)CC(C)(C)[NH2+]Cc1ccc(OCC)cc1O ZINC000850410125 637052561 /nfs/dbraw/zinc/05/25/61/637052561.db2.gz NIPKHIXCQKUJPU-UHFFFAOYSA-N 1 0 294.439 3.001 20 10 CGCDRO CCCN(C)CC(C)(C)[NH2+]Cc1cc(Cl)ccc1O ZINC000850409959 637052828 /nfs/dbraw/zinc/05/28/28/637052828.db2.gz JMBNNRJQRLHUQN-UHFFFAOYSA-N 1 0 284.831 3.256 20 10 CGCDRO C[C@@H]([NH2+]CCCF)c1ccc(Br)cc1O ZINC000134936075 637053712 /nfs/dbraw/zinc/05/37/12/637053712.db2.gz TWYTVDPVTOROCB-MRVPVSSYSA-N 1 0 276.149 3.165 20 10 CGCDRO C[C@H](CSCCF)[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000850431228 637058511 /nfs/dbraw/zinc/05/85/11/637058511.db2.gz UVAQMKSTPTYRAB-CYBMUJFWSA-N 1 0 296.455 3.250 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CCCn2nccc21)c1ccc(N(C)C)cc1 ZINC000850463538 637076450 /nfs/dbraw/zinc/07/64/50/637076450.db2.gz VNZXHGVIYILKMZ-CJNGLKHVSA-N 1 0 284.407 3.135 20 10 CGCDRO CC[C@@H]([NH2+][C@H]1COC(C)(C)C1)c1ccc(C)cc1O ZINC000850483232 637086996 /nfs/dbraw/zinc/08/69/96/637086996.db2.gz VHTCSCBUABJBEL-TZMCWYRMSA-N 1 0 263.381 3.309 20 10 CGCDRO C[C@H]([NH2+][C@@H](CO)C1CCC1)c1cc2c(cc1O)CCCC2 ZINC000850488318 637087581 /nfs/dbraw/zinc/08/75/81/637087581.db2.gz NKJYRPYYZBFXDR-SJCJKPOMSA-N 1 0 289.419 3.083 20 10 CGCDRO CC[C@@H](COCC1CC1)[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000850494427 637090232 /nfs/dbraw/zinc/09/02/32/637090232.db2.gz PFHFXJZINRICFV-OCCSQVGLSA-N 1 0 293.407 3.257 20 10 CGCDRO Cc1ccncc1CC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000850506316 637093981 /nfs/dbraw/zinc/09/39/81/637093981.db2.gz IMILPBTZXBZBIE-HNNXBMFYSA-N 1 0 283.419 3.349 20 10 CGCDRO C[C@H]([NH2+][C@H]1C=CCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000850511890 637097075 /nfs/dbraw/zinc/09/70/75/637097075.db2.gz QAORAPVSBUPHGE-ZFWWWQNUSA-N 1 0 290.382 3.032 20 10 CGCDRO CCO[C@H]1C[C@H]([NH2+][C@H](C)c2ccc(C)c(C)c2O)C1 ZINC000850514483 637099109 /nfs/dbraw/zinc/09/91/09/637099109.db2.gz MYSYGDQUDMLIOW-MGPQQGTHSA-N 1 0 263.381 3.227 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCO[C@@H]2CC2(F)F)cc1 ZINC000850520131 637100358 /nfs/dbraw/zinc/10/03/58/637100358.db2.gz WXHZYDHMSNTNIK-IUODEOHRSA-N 1 0 298.377 3.218 20 10 CGCDRO C[C@H]([NH2+][C@@H](C)C1(CO)CC1)c1ccc2ccccc2c1O ZINC000850516954 637100492 /nfs/dbraw/zinc/10/04/92/637100492.db2.gz ZWQGJQJVOYLNCF-STQMWFEESA-N 1 0 285.387 3.357 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCc2ccoc2)c(O)c1C ZINC000850530806 637108536 /nfs/dbraw/zinc/10/85/36/637108536.db2.gz CZHMKJKFWJSNMN-ZDUSSCGKSA-N 1 0 259.349 3.495 20 10 CGCDRO COc1ccnc(C[NH2+][C@H](C)c2ccc(C)cc2O)c1F ZINC000850538298 637113757 /nfs/dbraw/zinc/11/37/57/637113757.db2.gz YBHYGSZKTVUBHS-LLVKDONJSA-N 1 0 290.338 3.094 20 10 CGCDRO C[C@H]1C[C@H]([NH2+]CC2SCCS2)c2c1c(F)ccc2O ZINC000850560613 637125020 /nfs/dbraw/zinc/12/50/20/637125020.db2.gz MINGHFSBSPSBHM-WPRPVWTQSA-N 1 0 299.436 3.475 20 10 CGCDRO C[C@@H]([NH2+][C@H]1C[C@H](O)C1)c1ccc(N2CCCCCC2)cc1 ZINC000850579431 637130526 /nfs/dbraw/zinc/13/05/26/637130526.db2.gz WVMMIRZAGTVFRI-QGPMSJSTSA-N 1 0 288.435 3.241 20 10 CGCDRO C[C@@H](O)[C@@H]([NH2+][C@@H](C)c1ccccc1O)c1ccccc1 ZINC000850582377 637133284 /nfs/dbraw/zinc/13/32/84/637133284.db2.gz FGAWZYVRILJGLK-OGHNNQOOSA-N 1 0 271.360 3.165 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H](C)[C@H]2CCO)cc1 ZINC000852460100 637654410 /nfs/dbraw/zinc/65/44/10/637654410.db2.gz ANGLHBCHFITHHR-CRAIPNDOSA-N 1 0 290.451 3.126 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1CC2(CCC2)CO1)c1cc(F)ccc1O ZINC000886701685 637664274 /nfs/dbraw/zinc/66/42/74/637664274.db2.gz UQENBGFCMZQJBW-AAEUAGOBSA-N 1 0 279.355 3.141 20 10 CGCDRO CN(C)c1ccc(OCCC[NH+]2CCCCC2)cc1 ZINC000139037356 637702710 /nfs/dbraw/zinc/70/27/10/637702710.db2.gz NMXACGPQNCDOLB-UHFFFAOYSA-N 1 0 262.397 3.007 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]C2(C3CC3)CCC2)c1O ZINC000886824764 637710141 /nfs/dbraw/zinc/71/01/41/637710141.db2.gz GLMCDRURTNBKTF-LLVKDONJSA-N 1 0 261.365 3.384 20 10 CGCDRO CO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(N(C)C)cc2)C1(C)C ZINC000300411291 637837528 /nfs/dbraw/zinc/83/75/28/637837528.db2.gz MMHIEBHANHRFOF-UHOFOFEASA-N 1 0 276.424 3.217 20 10 CGCDRO CCOCc1cc(C[NH2+]CC[C@@H]2CC2(F)F)ccc1OC ZINC000856802242 638391508 /nfs/dbraw/zinc/39/15/08/638391508.db2.gz LGAVPBJVRQQFPP-CQSZACIVSA-N 1 0 299.361 3.367 20 10 CGCDRO CN(C)c1cc(F)c(C[NH2+]Cc2ccccc2O)cc1F ZINC000858120616 638636502 /nfs/dbraw/zinc/63/65/02/638636502.db2.gz HCNIJKLVKDLINF-UHFFFAOYSA-N 1 0 292.329 3.026 20 10 CGCDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)cc1F ZINC000858176892 638650148 /nfs/dbraw/zinc/65/01/48/638650148.db2.gz DCFQTPMEMFDGGW-IFUGULHKSA-N 1 0 280.362 3.309 20 10 CGCDRO CCC[C@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)OCC ZINC000858210718 638658000 /nfs/dbraw/zinc/65/80/00/638658000.db2.gz XBKPOZJKKHSPQH-CQSZACIVSA-N 1 0 282.403 3.187 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2Cc3ccccc3CO2)c(O)c1 ZINC000858454226 638723329 /nfs/dbraw/zinc/72/33/29/638723329.db2.gz YZSUSRHKMVQRNW-YOEHRIQHSA-N 1 0 297.398 3.493 20 10 CGCDRO CC[C@H]([NH2+][C@@H](CO)CCC(C)C)c1ccccc1O ZINC000858486563 638737779 /nfs/dbraw/zinc/73/77/79/638737779.db2.gz VQESQZCJJFVULQ-HIFRSBDPSA-N 1 0 265.397 3.230 20 10 CGCDRO C[C@H]([NH2+][C@H]1CO[C@@H](C2CC2)C1)c1ccc(Cl)cc1O ZINC000858548086 638759346 /nfs/dbraw/zinc/75/93/46/638759346.db2.gz QVLGLPCQEFJOEZ-TURKWSHLSA-N 1 0 281.783 3.264 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+][C@@H](C1CC1)[C@H]1CCCOC1)CC2 ZINC000927065079 638836969 /nfs/dbraw/zinc/83/69/69/638836969.db2.gz DVGKGLKGRZHMSI-DAYGRLMNSA-N 1 0 287.403 3.174 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](CCO)c2ccccc2)cc1C ZINC000930190980 638981374 /nfs/dbraw/zinc/98/13/74/638981374.db2.gz NILAOVJLYBFMDG-KRWDZBQOSA-N 1 0 285.387 3.217 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCc3c(O)cccc3C2)cc1 ZINC000859946622 639259064 /nfs/dbraw/zinc/25/90/64/639259064.db2.gz LJMZNZHFUQFAQP-UHFFFAOYSA-N 1 0 282.387 3.017 20 10 CGCDRO CCN(C)c1ccc(C[NH2+][C@H](C)Cc2cccnc2)cc1 ZINC000934230206 639563867 /nfs/dbraw/zinc/56/38/67/639563867.db2.gz IVABYJDZJYULTD-OAHLLOKOSA-N 1 0 283.419 3.259 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H]1CCCCN1CC)c1ccccc1O ZINC000155780199 639947910 /nfs/dbraw/zinc/94/79/10/639947910.db2.gz MEIRAQNPNIEGIZ-HOCLYGCPSA-N 1 0 276.424 3.307 20 10 CGCDRO Oc1ccccc1C[NH+]1CCC(C(F)(F)F)CC1 ZINC000156053589 639962345 /nfs/dbraw/zinc/96/23/45/639962345.db2.gz OJFRXSMGCUVOKR-UHFFFAOYSA-N 1 0 259.271 3.167 20 10 CGCDRO Cc1ccncc1C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000159136109 640031747 /nfs/dbraw/zinc/03/17/47/640031747.db2.gz OAAMPIXMZGUGSE-AWEZNQCLSA-N 1 0 269.392 3.307 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1CCC(C)(C)O1)c1cc(F)ccc1O ZINC000187853109 640102819 /nfs/dbraw/zinc/10/28/19/640102819.db2.gz WZOXFWDHUDYZCA-ZYHUDNBSSA-N 1 0 267.344 3.140 20 10 CGCDRO CC[C@H]([NH2+][C@@H](CO)Cc1ccccc1C)c1ccccc1O ZINC000191556363 640319293 /nfs/dbraw/zinc/31/92/93/640319293.db2.gz PUFGPRHYPDDJJK-AEFFLSMTSA-N 1 0 299.414 3.345 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](CO)Cc2ccccc2C)c(O)c1 ZINC000191556429 640319688 /nfs/dbraw/zinc/31/96/88/640319688.db2.gz PYJFPYIYLKHDQD-NVXWUHKLSA-N 1 0 299.414 3.263 20 10 CGCDRO CCOc1ccc(O)c(C[N@H+](C)Cc2c(C)noc2C)c1 ZINC000091812827 640723698 /nfs/dbraw/zinc/72/36/98/640723698.db2.gz SNAXVQNFIHAJRZ-UHFFFAOYSA-N 1 0 290.363 3.028 20 10 CGCDRO C[N@H+](Cc1ccccc1O)Cc1cc(Cl)ccc1O ZINC000091956761 640728165 /nfs/dbraw/zinc/72/81/65/640728165.db2.gz NTBDRKNENSDLTD-UHFFFAOYSA-N 1 0 277.751 3.383 20 10 CGCDRO CC[C@H]1CCCCN1CC[NH2+][C@H](C)c1ccccc1O ZINC000248386861 640754425 /nfs/dbraw/zinc/75/44/25/640754425.db2.gz OCTKWDRVDRAHAL-CABCVRRESA-N 1 0 276.424 3.307 20 10 CGCDRO C[C@@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)c1cc(F)ccc1O ZINC000248528503 640766766 /nfs/dbraw/zinc/76/67/66/640766766.db2.gz WDLUZIGWFZVRHU-GMTAPVOTSA-N 1 0 267.344 3.138 20 10 CGCDRO CCC[N@H+](C)C[C@H]1CCN(Cc2cc(Cl)ccc2O)C1 ZINC000093742158 640780900 /nfs/dbraw/zinc/78/09/00/640780900.db2.gz BGAMIKOESWJECH-CYBMUJFWSA-N 1 0 296.842 3.209 20 10 CGCDRO CCC[N@H+](C)C[C@@H]1CCN(Cc2cc(Cl)ccc2O)C1 ZINC000093742157 640781788 /nfs/dbraw/zinc/78/17/88/640781788.db2.gz BGAMIKOESWJECH-ZDUSSCGKSA-N 1 0 296.842 3.209 20 10 CGCDRO C[C@H]([NH2+]CC1(O)CCC(C)CC1)c1cc(F)ccc1O ZINC000094618384 640799709 /nfs/dbraw/zinc/79/97/09/640799709.db2.gz XBHSVGBCLBXAQZ-BGMSHATGSA-N 1 0 281.371 3.123 20 10 CGCDRO CCCC[C@H](O)C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC001252109540 806000084 /nfs/dbraw/zinc/00/00/84/806000084.db2.gz YUJPZFLHMQNYPJ-SFHVURJKSA-N 1 0 290.451 3.318 20 10 CGCDRO Nc1ccc(Nc2cccc(C3CC[NH2+]CC3)c2)cc1 ZINC001159757179 806166794 /nfs/dbraw/zinc/16/67/94/806166794.db2.gz LSCZVMAHOXZPQW-UHFFFAOYSA-N 1 0 267.376 3.479 20 10 CGCDRO CCCCC[C@H](O)C[N@H+](CC)Cc1ccccc1O ZINC001253538606 806241703 /nfs/dbraw/zinc/24/17/03/806241703.db2.gz QXBNDJAVNGDDTJ-HNNXBMFYSA-N 1 0 265.397 3.155 20 10 CGCDRO CCCCC[C@@H](O)C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC001253536440 806239385 /nfs/dbraw/zinc/23/93/85/806239385.db2.gz HFHGSIWELRZDTK-QGZVFWFLSA-N 1 0 278.440 3.126 20 10 CGCDRO COc1cc(C[N@H+](C)[C@@H]2CC[C@@H](SC)C2)c(O)cc1C ZINC001253980999 806325046 /nfs/dbraw/zinc/32/50/46/806325046.db2.gz KOMUHQGLYCEWLH-ZIAGYGMSSA-N 1 0 295.448 3.425 20 10 CGCDRO C[C@@H]1CSCC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001254010693 806328393 /nfs/dbraw/zinc/32/83/93/806328393.db2.gz JLPSVJFJRHKCPZ-CQSZACIVSA-N 1 0 276.449 3.224 20 10 CGCDRO CCCC[C@H](C)[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001255332182 806618452 /nfs/dbraw/zinc/61/84/52/806618452.db2.gz KNJDEOTTZRJBCE-LBPRGKRZSA-N 1 0 263.381 3.425 20 10 CGCDRO CC(C)C[C@H](C[NH2+][C@H](C)c1ccc(N(C)C)cc1)N(C)C ZINC000037240719 798864299 /nfs/dbraw/zinc/86/42/99/798864299.db2.gz OACDTIMDGRHDGO-CRAIPNDOSA-N 1 0 291.483 3.380 20 10 CGCDRO C[C@H](CCc1ccco1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000037362861 798866388 /nfs/dbraw/zinc/86/63/88/798866388.db2.gz HEGLRHWAWNHHQU-CYBMUJFWSA-N 1 0 271.360 3.325 20 10 CGCDRO CCOc1cccc(C[NH2+]C[C@H]2Cc3ccccc32)c1O ZINC000037565387 798868581 /nfs/dbraw/zinc/86/85/81/798868581.db2.gz BBPZBRVHCQHIIZ-OAHLLOKOSA-N 1 0 283.371 3.220 20 10 CGCDRO COc1ccc(C[NH2+]C[C@@H]2Cc3ccccc32)cc1C ZINC000037566137 798869413 /nfs/dbraw/zinc/86/94/13/798869413.db2.gz ZXKDQMNOHCYVQW-INIZCTEOSA-N 1 0 267.372 3.433 20 10 CGCDRO Oc1ccccc1C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000134226451 799036016 /nfs/dbraw/zinc/03/60/16/799036016.db2.gz PWOANALKNVIORP-UHFFFAOYSA-N 1 0 282.387 3.282 20 10 CGCDRO COc1cccc(C[N@@H+]2CCCC(C)(C)CC2)c1O ZINC000156037337 799065392 /nfs/dbraw/zinc/06/53/92/799065392.db2.gz QNTIGSFWMWQZQU-UHFFFAOYSA-N 1 0 263.381 3.413 20 10 CGCDRO COc1ccc(C[N@H+](C)Cc2ccc(C)cc2)c(O)c1 ZINC000179602498 799109769 /nfs/dbraw/zinc/10/97/69/799109769.db2.gz FZZVGDFWLNQXIK-UHFFFAOYSA-N 1 0 271.360 3.341 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cc(OC)ccc1O)C1CCCC1 ZINC000382808701 799396447 /nfs/dbraw/zinc/39/64/47/799396447.db2.gz IKLFONZOBPEZMU-OAHLLOKOSA-N 1 0 263.381 3.459 20 10 CGCDRO CC(=O)c1cc(F)cc(C[N@H+]2CCSCC[C@H]2C)c1O ZINC000385645371 799427420 /nfs/dbraw/zinc/42/74/20/799427420.db2.gz DCRYWIDNYONVAA-SNVBAGLBSA-N 1 0 297.395 3.061 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCCN3C)[C@@H]1C ZINC000385727156 799427469 /nfs/dbraw/zinc/42/74/69/799427469.db2.gz XXVOYMXSZRUUAA-XJKCOSOUSA-N 1 0 258.409 3.203 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H](CO)C2CCCCC2)c(O)c1 ZINC000386300532 799434293 /nfs/dbraw/zinc/43/42/93/799434293.db2.gz VJYVIEXYARUCBW-XJKSGUPXSA-N 1 0 277.408 3.292 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)c1ccc2ccccc2c1O)[C@@H](C)O ZINC000386713548 799439232 /nfs/dbraw/zinc/43/92/32/799439232.db2.gz QCCUKVLTPMUJDV-HSMVNMDESA-N 1 0 273.376 3.355 20 10 CGCDRO CO[C@@H]([C@@H](C)[NH2+][C@H](C)c1ccc(N(C)C)cc1)C1CC1 ZINC000388293704 799452017 /nfs/dbraw/zinc/45/20/17/799452017.db2.gz YEKGTZKZCYGPTA-XNJGSVPQSA-N 1 0 276.424 3.217 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)C(C)(C)O)c1ccc2ccccc2c1O ZINC000393971381 799491988 /nfs/dbraw/zinc/49/19/88/799491988.db2.gz MTSDLHLLAXUCDM-NEPJUHHUSA-N 1 0 273.376 3.355 20 10 CGCDRO CC[C@H](C)[C@@H](C[NH2+]Cc1ccc2c(c1)CCCN2C)OC ZINC000394475595 799496812 /nfs/dbraw/zinc/49/68/12/799496812.db2.gz HSUPMXUSGYCIOY-KBXCAEBGSA-N 1 0 290.451 3.220 20 10 CGCDRO CN1CCCc2cc(C[NH2+]C3CC(C)(C)C3)ccc21 ZINC000395194290 799502701 /nfs/dbraw/zinc/50/27/01/799502701.db2.gz BUOIPVWOVHDSKD-UHFFFAOYSA-N 1 0 258.409 3.347 20 10 CGCDRO CCOc1cccc(C[NH2+]C[C@@H](C)CC(F)(F)F)c1O ZINC000396931830 799511343 /nfs/dbraw/zinc/51/13/43/799511343.db2.gz AQOGIGKAYGYHLV-JTQLQIEISA-N 1 0 291.313 3.469 20 10 CGCDRO CCCC[NH2+]Cc1ccc(Br)cc1O ZINC000691393590 799783414 /nfs/dbraw/zinc/78/34/14/799783414.db2.gz UYAQWXPGLHHRPF-UHFFFAOYSA-N 1 0 258.159 3.044 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@H](OC)[C@@H](C)CC)c1O ZINC000691442797 799783568 /nfs/dbraw/zinc/78/35/68/799783568.db2.gz DFLLSQDIOQRNRI-WFASDCNBSA-N 1 0 265.397 3.105 20 10 CGCDRO CC(C)([NH2+]Cc1ccc(Br)cc1O)C1CC1 ZINC000691429696 799784280 /nfs/dbraw/zinc/78/42/80/799784280.db2.gz VSAXUEKRIMIIKX-UHFFFAOYSA-N 1 0 284.197 3.433 20 10 CGCDRO CCC1([NH2+]Cc2ccc(Br)cc2O)CC1 ZINC000691487853 799785176 /nfs/dbraw/zinc/78/51/76/799785176.db2.gz LJCUNDJHAKCVQR-UHFFFAOYSA-N 1 0 270.170 3.187 20 10 CGCDRO CCc1cccc(C[NH2+][C@H]2CCC(F)(F)C2)c1O ZINC000691496227 799785405 /nfs/dbraw/zinc/78/54/05/799785405.db2.gz VJUGPRGRNGXAEF-LBPRGKRZSA-N 1 0 255.308 3.232 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCC[C@@H](OC(C)C)C2)c1O ZINC000692113495 799791722 /nfs/dbraw/zinc/79/17/22/799791722.db2.gz DDYSTOYRGVLNBH-MRXNPFEDSA-N 1 0 277.408 3.344 20 10 CGCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1ccc(Cl)nc1 ZINC000700805432 799879732 /nfs/dbraw/zinc/87/97/32/799879732.db2.gz WWWGKMCDARIEHQ-UHFFFAOYSA-N 1 0 287.794 3.147 20 10 CGCDRO C[C@H]1CCC[N@@H+]1Cc1ccc(Br)cc1O ZINC000700863467 799882230 /nfs/dbraw/zinc/88/22/30/799882230.db2.gz SALHYHPZGQDYLA-VIFPVBQESA-N 1 0 270.170 3.139 20 10 CGCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1cccs1 ZINC000700878529 799883328 /nfs/dbraw/zinc/88/33/28/799883328.db2.gz HGSHFHXFRNOTMH-UHFFFAOYSA-N 1 0 258.390 3.160 20 10 CGCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1ccsc1 ZINC000700882035 799883335 /nfs/dbraw/zinc/88/33/35/799883335.db2.gz ZXOZYGHFRBHDBP-UHFFFAOYSA-N 1 0 258.390 3.160 20 10 CGCDRO COc1ccc(C[NH2+]CCC2SCCS2)cc1C ZINC000703413256 799924422 /nfs/dbraw/zinc/92/44/22/799924422.db2.gz UHXZGKUZBCHALV-UHFFFAOYSA-N 1 0 283.462 3.289 20 10 CGCDRO CC1CC(C[NH2+]Cc2c(O)cccc2Br)C1 ZINC000706824778 799967828 /nfs/dbraw/zinc/96/78/28/799967828.db2.gz BMWQVHVBEZKHTA-UHFFFAOYSA-N 1 0 284.197 3.290 20 10 CGCDRO CSC1CC([NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC000708242734 799983269 /nfs/dbraw/zinc/98/32/69/799983269.db2.gz GBOORODTLFZNOT-UHFFFAOYSA-N 1 0 276.449 3.270 20 10 CGCDRO CCOC[C@H]1CCCC[N@@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000708422292 799988267 /nfs/dbraw/zinc/98/82/67/799988267.db2.gz LYNFSKRMEPYIFV-CYBMUJFWSA-N 1 0 285.334 3.061 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H](C)Cc2ccco2)c1O ZINC000709418987 800008133 /nfs/dbraw/zinc/00/81/33/800008133.db2.gz UIRIQCFWPQBQRQ-LBPRGKRZSA-N 1 0 259.349 3.268 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC[C@H]2CCCS2)c1 ZINC000715753083 800146069 /nfs/dbraw/zinc/14/60/69/800146069.db2.gz ITMOHTGUOAWEBO-DGCLKSJQSA-N 1 0 281.421 3.337 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H](C)c2ccns2)c1O ZINC000715930554 800153827 /nfs/dbraw/zinc/15/38/27/800153827.db2.gz GXUUFBNNRQVVRH-JTQLQIEISA-N 1 0 278.377 3.098 20 10 CGCDRO c1cc(C[NH2+]CC2C[C@H]3CC[C@@H](C2)S3)cc2c1OCC2 ZINC000716062695 800164155 /nfs/dbraw/zinc/16/41/55/800164155.db2.gz XSIHLHJCDOFPJB-VHRNVKJDSA-N 1 0 289.444 3.385 20 10 CGCDRO CC[C@H](C[C@H](C)O)[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC000716888685 800184168 /nfs/dbraw/zinc/18/41/68/800184168.db2.gz XEJOQSOVMBEJTL-XJFOESAGSA-N 1 0 277.408 3.388 20 10 CGCDRO C[C@@H]([NH2+]CC[C@@H]1CC(C)(C)CO1)c1cc(F)ccc1O ZINC000717274745 800199960 /nfs/dbraw/zinc/19/99/60/800199960.db2.gz ULVIVMRUTIZVAT-DGCLKSJQSA-N 1 0 281.371 3.387 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CC(C)(C)CO2)c1 ZINC000717324651 800200813 /nfs/dbraw/zinc/20/08/13/800200813.db2.gz YVPVKRHBWDFKJS-QWHCGFSZSA-N 1 0 263.381 3.166 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2nc3c(s2)CCCC3)c1 ZINC000719527363 800240594 /nfs/dbraw/zinc/24/05/94/800240594.db2.gz HRYDEUWUKILYDS-UHFFFAOYSA-N 1 0 288.416 3.326 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2nc3c(s2)CCC3)c1 ZINC000719571590 800243322 /nfs/dbraw/zinc/24/33/22/800243322.db2.gz TTWPGBRDLCLAGW-LLVKDONJSA-N 1 0 288.416 3.497 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@@H]2CC[C@H](C3CC3)O2)c1O ZINC000722321384 800313843 /nfs/dbraw/zinc/31/38/43/800313843.db2.gz RLUSSQBFIROIEP-JKSUJKDBSA-N 1 0 275.392 3.002 20 10 CGCDRO C[C@H]([NH2+][C@H](C1CC1)[C@H]1CCCOC1)c1ccccc1O ZINC000724010956 800352436 /nfs/dbraw/zinc/35/24/36/800352436.db2.gz PXNOVNWSMRVHAG-RVSPLBMKSA-N 1 0 275.392 3.248 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](CCO)C1CCCC1)c1ccccc1O ZINC000725073267 800371376 /nfs/dbraw/zinc/37/13/76/800371376.db2.gz XPRDFQMWJRYUBQ-CVEARBPZSA-N 1 0 277.408 3.374 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CC[C@@]2(C)CC2(F)F)cc1 ZINC000850380525 800517871 /nfs/dbraw/zinc/51/78/71/800517871.db2.gz IFAMMPORULOZNH-AWEZNQCLSA-N 1 0 268.351 3.278 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H](c2ccccn2)C2CC2)c1 ZINC000922586434 800619420 /nfs/dbraw/zinc/61/94/20/800619420.db2.gz MOTGYEDGGHZTJE-KRWDZBQOSA-N 1 0 268.360 3.337 20 10 CGCDRO CCN(C)c1ccc(C[NH2+][C@@H](C)C(C)(C)OC)cc1 ZINC000932373075 800660311 /nfs/dbraw/zinc/66/03/11/800660311.db2.gz XKFBCBCESSYPIN-ZDUSSCGKSA-N 1 0 264.413 3.046 20 10 CGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]CCc1nccnc1C ZINC001117751166 802487070 /nfs/dbraw/zinc/48/70/70/802487070.db2.gz POMWQFYNTRXOGZ-WFASDCNBSA-N 1 0 297.402 3.180 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@H]1CCn2ccnc21 ZINC001117831311 802505494 /nfs/dbraw/zinc/50/54/94/802505494.db2.gz MGAOOVGHIBQNPL-FRRDWIJNSA-N 1 0 283.375 3.180 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCCC[C@@H]1N(C)C ZINC001118012039 802518854 /nfs/dbraw/zinc/51/88/54/802518854.db2.gz LLZJYWAALOEIHL-ROUUACIJSA-N 1 0 289.467 3.023 20 10 CGCDRO CCOc1ccc(CC[N@H+](C)Cc2ccc(N)cc2)cc1 ZINC001120269576 802737314 /nfs/dbraw/zinc/73/73/14/802737314.db2.gz ULLRLXMHVNCYDR-UHFFFAOYSA-N 1 0 284.403 3.342 20 10 CGCDRO CC[N@H+](Cc1cn2c(cccc2C)n1)Cc1ccccc1O ZINC001137301504 803712514 /nfs/dbraw/zinc/71/25/14/803712514.db2.gz NLDCWYNTWKMLAY-UHFFFAOYSA-N 1 0 295.386 3.370 20 10 CGCDRO Cc1cc(C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)c(C)n1-c1ccccc1 ZINC001137854007 803784703 /nfs/dbraw/zinc/78/47/03/803784703.db2.gz DTRODPBFYOXIQD-IFXJQAMLSA-N 1 0 298.430 3.297 20 10 CGCDRO CCOC1CC[NH+](Cc2c(C)n(C)c3ccccc32)CC1 ZINC001138257158 803881718 /nfs/dbraw/zinc/88/17/18/803881718.db2.gz YJIRVAACNNCSPX-UHFFFAOYSA-N 1 0 286.419 3.488 20 10 CGCDRO Cc1c(C[N@@H+]2CCC[C@@H](CO)CC2)c2ccccc2n1C ZINC001138252721 803881951 /nfs/dbraw/zinc/88/19/51/803881951.db2.gz RSTIXIBQMUNROQ-OAHLLOKOSA-N 1 0 286.419 3.081 20 10 CGCDRO Cc1c(C[N@@H+]2CC[C@@H]3CCO[C@H]3C2)c2ccccc2n1C ZINC001138254088 803882616 /nfs/dbraw/zinc/88/26/16/803882616.db2.gz QKNNUNIVZRBWQW-KDOFPFPSSA-N 1 0 284.403 3.098 20 10 CGCDRO Cc1c(CN2CCC[C@H]3C[N@H+](C)C[C@@H]32)c2ccccc2n1C ZINC001138257967 803885351 /nfs/dbraw/zinc/88/53/51/803885351.db2.gz FUNCTPDDLNQMNR-KXBFYZLASA-N 1 0 297.446 3.013 20 10 CGCDRO CC[N@H+](CCC[NH+](C)C)Cc1c2ccccc2n(C)c1C ZINC001138259147 803885592 /nfs/dbraw/zinc/88/55/92/803885592.db2.gz CNPJWDRAMBHFRX-UHFFFAOYSA-N 1 0 287.451 3.260 20 10 CGCDRO CO[C@@H]1CCC[N@H+](Cc2c(C)n(C)c3ccccc32)CC1 ZINC001138258113 803885765 /nfs/dbraw/zinc/88/57/65/803885765.db2.gz LTANZWARWAIRNE-OAHLLOKOSA-N 1 0 286.419 3.488 20 10 CGCDRO Cc1c(CN2CC[C@H]([N@@H+](C)C(C)C)C2)c2ccccc2n1C ZINC001138259740 803885784 /nfs/dbraw/zinc/88/57/84/803885784.db2.gz NDWDQUWHYMQHKF-INIZCTEOSA-N 1 0 299.462 3.401 20 10 CGCDRO CO[C@H]1CC[N@H+](Cc2ccc3c(c2)CCCN3C)[C@H](C)C1 ZINC001138360136 803902143 /nfs/dbraw/zinc/90/21/43/803902143.db2.gz NQHRBFXSNJUPNH-PBHICJAKSA-N 1 0 288.435 3.068 20 10 CGCDRO Cc1cccc2c1CC[C@@H]([NH2+]Cc1ccc(N)cc1)C2 ZINC001246169681 804184926 /nfs/dbraw/zinc/18/49/26/804184926.db2.gz JCYWOJSRISENLJ-QGZVFWFLSA-N 1 0 266.388 3.224 20 10 CGCDRO Cc1cc(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)ccc1N(C)C ZINC001139669662 804245034 /nfs/dbraw/zinc/24/50/34/804245034.db2.gz GDDJTRGONZQMEV-SJLPKXTDSA-N 1 0 288.435 3.062 20 10 CGCDRO Cc1cc(C[N@@H+]2CC[C@]3(C2)CCCCO3)ccc1N(C)C ZINC001139670365 804248563 /nfs/dbraw/zinc/24/85/63/804248563.db2.gz LJYCRQPRIMSFOP-SFHVURJKSA-N 1 0 288.435 3.206 20 10 CGCDRO Cc1ccc(C)c(C[N@@H+]2CCC[C@@]3(CCOC3)C2)c1O ZINC001140181984 804395896 /nfs/dbraw/zinc/39/58/96/804395896.db2.gz ZDFGEIXRMBVUHK-QGZVFWFLSA-N 1 0 275.392 3.012 20 10 CGCDRO Cc1ccc(C)c(C[NH+]2CCC(c3ncccn3)CC2)c1O ZINC001140181533 804396149 /nfs/dbraw/zinc/39/61/49/804396149.db2.gz CPIRJBMIPAPVGH-UHFFFAOYSA-N 1 0 297.402 3.179 20 10 CGCDRO Cc1ccc(C)c(C[N@H+](CCO)Cc2ccccc2)c1O ZINC001140181559 804397234 /nfs/dbraw/zinc/39/72/34/804397234.db2.gz WYVBTSCRFXWSLS-UHFFFAOYSA-N 1 0 285.387 3.004 20 10 CGCDRO Oc1cccc(Cl)c1C[N@@H+]1CC[C@@H]2CCCO[C@H]2C1 ZINC001140339417 804419738 /nfs/dbraw/zinc/41/97/38/804419738.db2.gz UUYFZWWXVYNSJS-NHYWBVRUSA-N 1 0 281.783 3.047 20 10 CGCDRO O=C1CCN(Cc2ccc(Cl)cc2O)[C@H]2CCCC[C@H]12 ZINC001140461730 804441023 /nfs/dbraw/zinc/44/10/23/804441023.db2.gz SERJRGZQEFSLDT-KBPBESRZSA-N 1 0 293.794 3.379 20 10 CGCDRO CO[C@H]1CCC[C@@H]2C[N@H+](Cc3ccc(Cl)cc3O)C[C@@H]21 ZINC001140465116 804442810 /nfs/dbraw/zinc/44/28/10/804442810.db2.gz IMUMUTKHDFMCJG-WPGHFRTFSA-N 1 0 295.810 3.293 20 10 CGCDRO CO[C@H]1CC[N@H+](Cc2ccc(Cl)cc2O)[C@@H](C)C1 ZINC001140468601 804443045 /nfs/dbraw/zinc/44/30/45/804443045.db2.gz QGULFBUZMXDUMM-GWCFXTLKSA-N 1 0 269.772 3.045 20 10 CGCDRO C[N@H+](CCc1cccc(F)c1)Cc1c([O-])cc(F)cc1F ZINC001140585713 804468844 /nfs/dbraw/zinc/46/88/44/804468844.db2.gz RRLNQFKMOCBKHW-UHFFFAOYSA-N 1 0 295.304 3.484 20 10 CGCDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1F ZINC001140662120 804487049 /nfs/dbraw/zinc/48/70/49/804487049.db2.gz FYFVGJRGARBOBO-CQSZACIVSA-N 1 0 292.398 3.037 20 10 CGCDRO CN(C)c1ccc(CN2CCC[C@H](F)C2)c(Cl)c1 ZINC001140924193 804550835 /nfs/dbraw/zinc/55/08/35/804550835.db2.gz OLDAEUIZEPJTAC-LBPRGKRZSA-N 1 0 270.779 3.340 20 10 CGCDRO Cc1ccc(CN(CC[NH+](C)C)Cc2ccccc2)c(O)c1 ZINC001140948262 804556148 /nfs/dbraw/zinc/55/61/48/804556148.db2.gz APWVFNICTWTCMK-UHFFFAOYSA-N 1 0 298.430 3.264 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCC[C@@H](c3ccccn3)C2)c(O)c1 ZINC001140949866 804556745 /nfs/dbraw/zinc/55/67/45/804556745.db2.gz OAXLKWMUDTUHFI-OAHLLOKOSA-N 1 0 282.387 3.475 20 10 CGCDRO F[C@@H]1CCC[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141075887 804585186 /nfs/dbraw/zinc/58/51/86/804585186.db2.gz FIUPNHBPCVGFKO-QGZVFWFLSA-N 1 0 288.410 3.319 20 10 CGCDRO C[C@H]1C[N@H+](Cc2cccc(C(C)(C)C)c2O)CCCO1 ZINC001143104365 804801732 /nfs/dbraw/zinc/80/17/32/804801732.db2.gz SDTUBTFFNDMFCF-ZDUSSCGKSA-N 1 0 277.408 3.301 20 10 CGCDRO C[C@@H]1COCC[N@H+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143104611 804801784 /nfs/dbraw/zinc/80/17/84/804801784.db2.gz WDGJNBLNNVJEQT-ZDUSSCGKSA-N 1 0 277.408 3.158 20 10 CGCDRO CC(C)(C)c1cccc(C[N@@H+]2CCC[C@@H](CO)CC2)c1O ZINC001143104716 804801865 /nfs/dbraw/zinc/80/18/65/804801865.db2.gz YBYOKBWICINCJF-CQSZACIVSA-N 1 0 291.435 3.284 20 10 CGCDRO C[C@H]1CC[C@@H](CO)C[N@@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001143104005 804802068 /nfs/dbraw/zinc/80/20/68/804802068.db2.gz NZEDGZZFIRCCCV-UONOGXRCSA-N 1 0 291.435 3.283 20 10 CGCDRO CC(C)(C)c1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)C3=O)c1O ZINC001143111888 804804183 /nfs/dbraw/zinc/80/41/83/804804183.db2.gz HQPURJXTZIHMRN-OKILXGFUSA-N 1 0 287.403 3.101 20 10 CGCDRO Oc1cc(O)c(C[N@H+](Cc2ccccc2)C2CCC2)c(O)c1 ZINC001144515602 804997924 /nfs/dbraw/zinc/99/79/24/804997924.db2.gz CKEPNDUFUXLZQH-UHFFFAOYSA-N 1 0 299.370 3.358 20 10 CGCDRO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cc(Cl)c(C(C)(C)C)cc1O ZINC001248879548 805031808 /nfs/dbraw/zinc/03/18/08/805031808.db2.gz BQYBHYPRXXEQSH-ZYHUDNBSSA-N 1 0 297.826 3.298 20 10 CGCDRO CC1(C)C=Cc2c(O)c(C[NH+]3CCCC3)ccc2O1 ZINC001249223578 805115482 /nfs/dbraw/zinc/11/54/82/805115482.db2.gz HYLBOXQCTQHBCL-UHFFFAOYSA-N 1 0 259.349 3.172 20 10 CGCDRO CCn1cc(C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3C)cn1 ZINC001257437899 807156127 /nfs/dbraw/zinc/15/61/27/807156127.db2.gz PVYUWBXUDQMSNU-JSGCOSHPSA-N 1 0 285.391 3.255 20 10 CGCDRO Oc1ccc(Br)cc1C[NH2+][C@H]1C[C@H]2C[C@H]2C1 ZINC001167910954 807272278 /nfs/dbraw/zinc/27/22/78/807272278.db2.gz XLPAQAIEFZYYPW-GDGBQDQQSA-N 1 0 282.181 3.043 20 10 CGCDRO CC(C)C[C@H](C)C[C@@H](C)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001258053127 807279413 /nfs/dbraw/zinc/27/94/13/807279413.db2.gz WIRIKEXAKLHONY-OGHNNQOOSA-N 1 0 295.423 3.182 20 10 CGCDRO CC(C)C[C@@H](C)C[C@H](C)[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001258053676 807279948 /nfs/dbraw/zinc/27/99/48/807279948.db2.gz WIRIKEXAKLHONY-IGCXYCKISA-N 1 0 295.423 3.182 20 10 CGCDRO C[C@H](Cc1ccco1)[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001258198835 807359555 /nfs/dbraw/zinc/35/95/55/807359555.db2.gz KRWNMVAZNWEYMC-GFCCVEGCSA-N 1 0 287.359 3.070 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H]2CCc3cc(F)ccc3C2)c1O ZINC001168416342 807409654 /nfs/dbraw/zinc/40/96/54/807409654.db2.gz XDYFFRCSZJNJNA-QGZVFWFLSA-N 1 0 285.362 3.487 20 10 CGCDRO CC1(C)CC[C@H]([N@@H+]2CCCc3cc(O)c(O)cc3C2)C1 ZINC001258607875 807505226 /nfs/dbraw/zinc/50/52/26/807505226.db2.gz TWOWEEQCVRVGAX-AWEZNQCLSA-N 1 0 275.392 3.425 20 10 CGCDRO CCCCC[C@H](CCC)[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001258661602 807529280 /nfs/dbraw/zinc/52/92/80/807529280.db2.gz TYNPEZDXNDSGRN-YOEHRIQHSA-N 1 0 295.423 3.470 20 10 CGCDRO CCCCC[C@H](CCC)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001258661601 807529432 /nfs/dbraw/zinc/52/94/32/807529432.db2.gz TYNPEZDXNDSGRN-WMLDXEAASA-N 1 0 295.423 3.470 20 10 CGCDRO CC[C@@H](C)C[C@H](CC)[NH2+]Cc1cccc(O)c1O ZINC001258786057 807612055 /nfs/dbraw/zinc/61/20/55/807612055.db2.gz YRLRUPKAYMBKGZ-YPMHNXCESA-N 1 0 251.370 3.402 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2ccc(C)nc2Cl)c(O)c1 ZINC001262112595 807825800 /nfs/dbraw/zinc/82/58/00/807825800.db2.gz NRZAHRWWDYRDGE-UHFFFAOYSA-N 1 0 276.767 3.347 20 10 CGCDRO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)Cc1ccc(N)cc1 ZINC001262488028 807867360 /nfs/dbraw/zinc/86/73/60/807867360.db2.gz NNCYNUQYOOPZCK-ZDUSSCGKSA-N 1 0 270.376 3.037 20 10 CGCDRO Cc1cccc2c1CC[C@@H]([NH2+]Cc1ccccc1O)C2 ZINC001171550132 808091429 /nfs/dbraw/zinc/09/14/29/808091429.db2.gz IXPCCAUNSQHLHV-MRXNPFEDSA-N 1 0 267.372 3.348 20 10 CGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)C1C[C@H]2CC[C@@H](C1)O2 ZINC001172226904 808203204 /nfs/dbraw/zinc/20/32/04/808203204.db2.gz JQXGKTJBUQWEMG-AYHJJNSGSA-N 1 0 288.435 3.285 20 10 CGCDRO CC(C)COCC[C@@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC001172462389 808332417 /nfs/dbraw/zinc/33/24/17/808332417.db2.gz PDJOUYWCKUOPJK-CQSZACIVSA-N 1 0 277.408 3.162 20 10 CGCDRO Cc1cc(Nc2cc(Br)cc(F)c2O)cc[nH+]1 ZINC001174657839 809121311 /nfs/dbraw/zinc/12/13/11/809121311.db2.gz RNWNJAMFQVBURD-UHFFFAOYSA-N 1 0 297.127 3.163 20 10 CGCDRO CC[NH+]1CCN(c2ccc(Nc3ccc(N)cc3)cc2)CC1 ZINC001175781543 809540928 /nfs/dbraw/zinc/54/09/28/809540928.db2.gz KHEFBBHTTDMGGP-UHFFFAOYSA-N 1 0 296.418 3.154 20 10 CGCDRO C=C/C=C/CC[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC001179472839 809923162 /nfs/dbraw/zinc/92/31/62/809923162.db2.gz ANFCPMFSXFCNRH-HHWLVVFRSA-N 1 0 256.393 3.488 20 10 CGCDRO CC(C)[C@H]1CC[N@@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC001180326369 809993332 /nfs/dbraw/zinc/99/33/32/809993332.db2.gz KNCVIRRRAYITIL-FUTAKVPZSA-N 1 0 258.409 3.496 20 10 CGCDRO CCC(CC)[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001184218316 810183058 /nfs/dbraw/zinc/18/30/58/810183058.db2.gz MCYYBWMJGYCVJG-QGZVFWFLSA-N 1 0 277.456 3.134 20 10 CGCDRO CC[C@H](C)C[NH+]1CCN(c2ccc(OC)cc2C)CC1 ZINC001201516958 811881051 /nfs/dbraw/zinc/88/10/51/811881051.db2.gz HVOMCAYCXJZCJF-AWEZNQCLSA-N 1 0 276.424 3.172 20 10 CGCDRO CCOc1ccc(N2CC[NH+](CC3CCC3)CC2)cc1 ZINC001202793614 812176150 /nfs/dbraw/zinc/17/61/50/812176150.db2.gz YPAITEGKIGGVMH-UHFFFAOYSA-N 1 0 274.408 3.007 20 10 CGCDRO COc1cccc(C[N@@H+]2CCC[C@H](c3ccccn3)C2)c1O ZINC001203595947 812403982 /nfs/dbraw/zinc/40/39/82/812403982.db2.gz TZHZUGSCSPULKU-AWEZNQCLSA-N 1 0 298.386 3.175 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](C(F)F)C2)c1O ZINC001203609595 812405286 /nfs/dbraw/zinc/40/52/86/812405286.db2.gz ZIIGGLBNXLWUGO-GFCCVEGCSA-N 1 0 285.334 3.268 20 10 CGCDRO C[C@H]1CC[N@H+](Cc2cc(Cl)ccc2O)CC[C@@]1(C)O ZINC001203651777 812416132 /nfs/dbraw/zinc/41/61/32/812416132.db2.gz UOYGQOCHHIBVRJ-XHDPSFHLSA-N 1 0 283.799 3.029 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH+]1CC2(C1)C[C@@H](F)CS2 ZINC001203664180 812421988 /nfs/dbraw/zinc/42/19/88/812421988.db2.gz PXYNIRVZHYDCMN-LLVKDONJSA-N 1 0 287.787 3.075 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CCCC[C@](C)(F)C2)c1 ZINC001203669428 812426107 /nfs/dbraw/zinc/42/61/07/812426107.db2.gz BWNGSWSMUOSOHW-HNNXBMFYSA-N 1 0 267.344 3.115 20 10 CGCDRO CC[N@H+](Cc1ccc(OC)c(O)c1)Cc1ccccc1O ZINC001203872199 812476344 /nfs/dbraw/zinc/47/63/44/812476344.db2.gz VJQYOGKDALDDBL-UHFFFAOYSA-N 1 0 287.359 3.129 20 10 CGCDRO COc1ccccc1[C@H](C)[N@H+](C)Cc1ccc(O)c(O)c1 ZINC001203878461 812478986 /nfs/dbraw/zinc/47/89/86/812478986.db2.gz AENRJULDSRSZFO-LBPRGKRZSA-N 1 0 287.359 3.299 20 10 CGCDRO Cc1ccnn1C1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC001203935760 812495981 /nfs/dbraw/zinc/49/59/81/812495981.db2.gz CGDLOQCREVYFDI-UHFFFAOYSA-N 1 0 298.434 3.095 20 10 CGCDRO Oc1ccc(C[N@@H+]2CCC[C@@H]2c2cccs2)c(O)c1 ZINC001204274518 812592644 /nfs/dbraw/zinc/59/26/44/812592644.db2.gz CUCDVMKCNHVFEI-CYBMUJFWSA-N 1 0 275.373 3.496 20 10 CGCDRO F[C@H]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(N2CCCC2)cc1 ZINC001204322052 812612971 /nfs/dbraw/zinc/61/29/71/812612971.db2.gz MXXKRXHTTFKUIN-XIRDDKMYSA-N 1 0 274.383 3.219 20 10 CGCDRO C[N@@H+](Cc1ccc(N2CCCC2)cc1)C[C@H]1CCCCO1 ZINC001204326945 812614809 /nfs/dbraw/zinc/61/48/09/812614809.db2.gz JOTSZRAVAFBVRP-GOSISDBHSA-N 1 0 288.435 3.288 20 10 CGCDRO CCN1CC[N@H+](Cc2cc(C(C)C)ccc2O)C[C@H]1C ZINC001204866100 812758615 /nfs/dbraw/zinc/75/86/15/812758615.db2.gz JRGDTCXDRGATGL-CQSZACIVSA-N 1 0 276.424 3.042 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(CN2CCC[C@H]([NH3+])C2)cc1 ZINC001204878092 812762418 /nfs/dbraw/zinc/76/24/18/812762418.db2.gz WOFFOWAQJPJYHB-KRWDZBQOSA-N 1 0 283.419 3.017 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@@H](C)C[NH3+])n2)cc1 ZINC001205099457 812865794 /nfs/dbraw/zinc/86/57/94/812865794.db2.gz VLCURXAWBWOLOY-NSHDSACASA-N 1 0 296.374 3.206 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2ccc(N)cc2)Cc2ccccc21 ZINC001205164945 812895789 /nfs/dbraw/zinc/89/57/89/812895789.db2.gz XSHZNRSORQOQOF-CYBMUJFWSA-N 1 0 252.361 3.388 20 10 CGCDRO CC[C@@H]1CO[C@H](C)C[N@@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC001205178580 812900307 /nfs/dbraw/zinc/90/03/07/812900307.db2.gz XCJIOPMNUNMOGU-IKJDWHLJSA-N 1 0 288.435 3.265 20 10 CGCDRO COc1ccc(C[NH2+]CC2C(C)(C)C2(C)C)c(O)c1OC ZINC001205498390 812993194 /nfs/dbraw/zinc/99/31/94/812993194.db2.gz FZVAWCRGQKTALK-UHFFFAOYSA-N 1 0 293.407 3.181 20 10 CGCDRO CC[N@H+](Cc1ccncc1C)Cc1ccccc1O ZINC001205862416 813112600 /nfs/dbraw/zinc/11/26/00/813112600.db2.gz APFDMRMZQXCMGY-UHFFFAOYSA-N 1 0 256.349 3.118 20 10 CGCDRO Oc1cc(Cl)ccc1C[N@@H+]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001206205918 813240276 /nfs/dbraw/zinc/24/02/76/813240276.db2.gz STVUBZIKJQMPGR-MNOVXSKESA-N 1 0 273.710 3.133 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2cc(Cl)ccc2O)c(O)c1 ZINC001206516934 813338780 /nfs/dbraw/zinc/33/87/80/813338780.db2.gz HWKPMXXQAJHWQS-UHFFFAOYSA-N 1 0 277.751 3.349 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2noc3ccc(F)cc32)c(O)c1 ZINC001207208643 813515022 /nfs/dbraw/zinc/51/50/22/813515022.db2.gz IGNWWRURBNHFIS-UHFFFAOYSA-N 1 0 286.306 3.271 20 10 CGCDRO C[N@H+](CCCn1cccn1)Cc1ccc(N2CCCC2)cc1 ZINC001208081349 813690393 /nfs/dbraw/zinc/69/03/93/813690393.db2.gz WPORFLFJLAEBKF-UHFFFAOYSA-N 1 0 298.434 3.005 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(C[NH+]2CCC(C)(O)CC2)cc1 ZINC001209517950 814070635 /nfs/dbraw/zinc/07/06/35/814070635.db2.gz JICIDJVZTKQESA-UHFFFAOYSA-N 1 0 298.430 3.441 20 10 CGCDRO O=C1C=CC(=NNc2ccccc2)C(OC2C[NH2+]C2)=C1 ZINC001218051762 816074941 /nfs/dbraw/zinc/07/49/41/816074941.db2.gz BJMMDCWKPJXXIC-ISLYRVAYSA-N 1 0 269.304 3.158 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)Cc2c[nH]c3cnccc23)cc1 ZINC001231519324 818119097 /nfs/dbraw/zinc/11/90/97/818119097.db2.gz COSVFEKEVDFMCR-UHFFFAOYSA-N 1 0 294.402 3.261 20 10 CGCDRO COCC[C@@H]1CCCC[N@@H+]1Cc1cccc(C)c1O ZINC001231593237 818131369 /nfs/dbraw/zinc/13/13/69/818131369.db2.gz RSEQUQJGXWPVOP-HNNXBMFYSA-N 1 0 263.381 3.092 20 10 CGCDRO Cc1cccc(C[N@H+]2CC[C@H](Oc3ccncc3C)C2)c1O ZINC001231595161 818133511 /nfs/dbraw/zinc/13/35/11/818133511.db2.gz PJYVEJLUPKAUFS-INIZCTEOSA-N 1 0 298.386 3.057 20 10 CGCDRO COc1cc(C[N@@H+]2Cc3ccccc3C[C@@H]2C)c(O)cc1O ZINC001231636917 818143603 /nfs/dbraw/zinc/14/36/03/818143603.db2.gz AOMSNKZMALQTDI-LBPRGKRZSA-N 1 0 299.370 3.053 20 10 CGCDRO Cc1cc(C)c(C[N@@H+]2CC[C@@]3(C2)CCCCO3)c(O)c1 ZINC001231841896 818186509 /nfs/dbraw/zinc/18/65/09/818186509.db2.gz FYVRUQUSJFVVPA-QGZVFWFLSA-N 1 0 275.392 3.154 20 10 CGCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCCC[C@@H](C)C1 ZINC001231847778 818187493 /nfs/dbraw/zinc/18/74/93/818187493.db2.gz CVZWOWCXXBDPAG-CQSZACIVSA-N 1 0 276.424 3.383 20 10 CGCDRO Cc1cc(O)c(C[N@H+](C)Cc2cnc(C)nc2)cc1Cl ZINC001231870097 818193766 /nfs/dbraw/zinc/19/37/66/818193766.db2.gz JGFCJSHUOOXXNH-UHFFFAOYSA-N 1 0 291.782 3.084 20 10 CGCDRO CCCO[C@H]1CC[N@H+](Cc2cc(Cl)c(OC)cc2O)C1 ZINC001232265413 818298202 /nfs/dbraw/zinc/29/82/02/818298202.db2.gz VXSSVCXKNJANNR-LBPRGKRZSA-N 1 0 299.798 3.055 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CCCC2(C)C)cc1Cl ZINC001232266245 818298545 /nfs/dbraw/zinc/29/85/45/818298545.db2.gz KTFZQOKNHWTQDQ-UHFFFAOYSA-N 1 0 269.772 3.429 20 10 CGCDRO Oc1cc(O)c(C[N@@H+]2CCCCC23CC3)cc1Cl ZINC001232262842 818298601 /nfs/dbraw/zinc/29/86/01/818298601.db2.gz SPKGUIIVHDWFAY-UHFFFAOYSA-N 1 0 267.756 3.270 20 10 CGCDRO COc1cc(O)c(C[N@H+]2CC[C@H](OC)C[C@@H]2C)cc1Cl ZINC001232271133 818300189 /nfs/dbraw/zinc/30/01/89/818300189.db2.gz NZAWNJZBPIWYBO-JQWIXIFHSA-N 1 0 299.798 3.054 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H]2c2ccccc2)c(O)c1 ZINC001232840386 818453482 /nfs/dbraw/zinc/45/34/82/818453482.db2.gz VZAFTCQHSUKYOE-QGZVFWFLSA-N 1 0 282.387 3.405 20 10 CGCDRO Oc1cc(C[N@@H+]2CCC[C@H]2C2CCCCC2)cc(O)c1O ZINC001233016684 818503080 /nfs/dbraw/zinc/50/30/80/818503080.db2.gz JXSFIXJHWVQSLN-AWEZNQCLSA-N 1 0 291.391 3.348 20 10 CGCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CCCC(=O)CC2)c1 ZINC001233284101 818566011 /nfs/dbraw/zinc/56/60/11/818566011.db2.gz IJEFRFJQVGJGEZ-UHFFFAOYSA-N 1 0 275.392 3.245 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2cc(C(C)(C)C)ccc2O)[C@@H](C)CO1 ZINC001233287093 818567515 /nfs/dbraw/zinc/56/75/15/818567515.db2.gz WGIZJWLMEGRNBJ-QWHCGFSZSA-N 1 0 277.408 3.299 20 10 CGCDRO C[C@H]1C[N@H+](Cc2cc(C(C)(C)C)ccc2O)CCCO1 ZINC001233284340 818568594 /nfs/dbraw/zinc/56/85/94/818568594.db2.gz QVKWDHQDRFIKPV-ZDUSSCGKSA-N 1 0 277.408 3.301 20 10 CGCDRO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C(F)(F)F)cc1O ZINC001233452447 818624155 /nfs/dbraw/zinc/62/41/55/818624155.db2.gz XEDFKPHUNKVLDP-TXEJJXNPSA-N 1 0 299.292 3.107 20 10 CGCDRO Cc1cccc([C@H]2CCC[N@@H+]2Cc2cc(O)c(O)cc2O)c1 ZINC001233482201 818624691 /nfs/dbraw/zinc/62/46/91/818624691.db2.gz DVQPWKQMILZFMJ-OAHLLOKOSA-N 1 0 299.370 3.449 20 10 CGCDRO Oc1c(C[NH+]2CC3(C2)CCOC3)cccc1-c1ccccc1 ZINC001234985964 818969987 /nfs/dbraw/zinc/96/99/87/818969987.db2.gz ADAUTUBXOKKXDW-UHFFFAOYSA-N 1 0 295.382 3.282 20 10 CGCDRO Oc1c(C[NH+]2CC(C3COC3)C2)cccc1-c1ccccc1 ZINC001234989216 818970671 /nfs/dbraw/zinc/97/06/71/818970671.db2.gz BJCSNPWHZXNRHA-UHFFFAOYSA-N 1 0 295.382 3.137 20 10 CGCDRO CO[C@@H]1CC[N@H+](Cc2cccc(-c3ccccc3)c2O)C1 ZINC001234996632 818971435 /nfs/dbraw/zinc/97/14/35/818971435.db2.gz KOJWSMOGJDSBDY-MRXNPFEDSA-N 1 0 283.371 3.280 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(CN2CCC[C@H]3[NH2+]C[C@H]32)cc1 ZINC001235304026 819065267 /nfs/dbraw/zinc/06/52/67/819065267.db2.gz ZPPBOYYKBLRIAA-RTBURBONSA-N 1 0 295.430 3.030 20 10 CGCDRO CC[N@H+](Cc1ccc(C(C)(C)C)cc1O)CC(C)(C)O ZINC001235679536 819138638 /nfs/dbraw/zinc/13/86/38/819138638.db2.gz PGMGCRNERRXFFX-UHFFFAOYSA-N 1 0 279.424 3.283 20 10 CGCDRO CCCN(Cc1cc(C(C)(C)C)ccc1O)[C@H]1CC[NH2+]C1 ZINC001236324081 819425432 /nfs/dbraw/zinc/42/54/32/819425432.db2.gz NTFAMBCRAKXJST-INIZCTEOSA-N 1 0 290.451 3.264 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(CN2CCC[C@H]([NH3+])[C@@H]2C)cc1 ZINC001236417743 819463238 /nfs/dbraw/zinc/46/32/38/819463238.db2.gz CXLCIWQBIXOIOE-LPHOPBHVSA-N 1 0 297.446 3.406 20 10 CGCDRO C[C@@H]1[C@H]([NH3+])CCCN1Cc1cccc(C(C)(C)C)c1O ZINC001236420768 819467442 /nfs/dbraw/zinc/46/74/42/819467442.db2.gz NOZLDOPNXTXKGQ-IUODEOHRSA-N 1 0 276.424 3.001 20 10 CGCDRO CC(C)c1ccc(CN(CC[NH3+])Cc2ccccc2)c(O)c1 ZINC001236528121 819519107 /nfs/dbraw/zinc/51/91/07/819519107.db2.gz PLKGFXZRQYHWBS-UHFFFAOYSA-N 1 0 298.430 3.477 20 10 CGCDRO CCc1ccc(C[N@@H+]2CC[C@@](C)(F)[C@@H](F)C2)c(O)c1 ZINC001236783900 819593233 /nfs/dbraw/zinc/59/32/33/819593233.db2.gz PNWLEEMILXTQLF-LSDHHAIUSA-N 1 0 269.335 3.227 20 10 CGCDRO CCc1ccc(C[N@H+](C)Cc2cccc(O)c2)c(O)c1 ZINC001236782562 819593793 /nfs/dbraw/zinc/59/37/93/819593793.db2.gz CPCNKYDUHZRNJO-UHFFFAOYSA-N 1 0 271.360 3.292 20 10 CGCDRO CCc1ccc(C[N@H+]2C[C@H]3[C@H](CCC3(F)F)C2)c(O)c1 ZINC001236786833 819595372 /nfs/dbraw/zinc/59/53/72/819595372.db2.gz QFASJFGTQRDWLG-OCCSQVGLSA-N 1 0 281.346 3.432 20 10 CGCDRO COc1cc(C)c(CN2Cc3cccc(OC)c3C2)c(O)c1 ZINC001236820892 819608127 /nfs/dbraw/zinc/60/81/27/819608127.db2.gz OMXYUUUEYASNDZ-UHFFFAOYSA-N 1 0 299.370 3.234 20 10 CGCDRO C[C@H]1CCC[N@H+](Cc2cc3ccccc3cc2O)[C@@H]1CO ZINC001236827142 819609137 /nfs/dbraw/zinc/60/91/37/819609137.db2.gz PWJCHAWADCYVMP-SUMWQHHRSA-N 1 0 285.387 3.138 20 10 CGCDRO Oc1cc2ccccc2cc1C[N@@H+]1CCc2ccncc2C1 ZINC001236834017 819613670 /nfs/dbraw/zinc/61/36/70/819613670.db2.gz RUEBJLMLPPLZLU-UHFFFAOYSA-N 1 0 290.366 3.499 20 10 CGCDRO CCN1CC[N@H+](Cc2cc3ccccc3cc2O)C(C)(C)C1 ZINC001236835114 819615258 /nfs/dbraw/zinc/61/52/58/819615258.db2.gz IQCQUYGARBZZEF-UHFFFAOYSA-N 1 0 298.430 3.462 20 10 CGCDRO CC(C)c1ccc(C[N@H+](C)C2CCN(C)CC2)c(O)c1 ZINC001237046813 819650462 /nfs/dbraw/zinc/65/04/62/819650462.db2.gz GHEAONOSGVKMCR-UHFFFAOYSA-N 1 0 276.424 3.042 20 10 CGCDRO CC(C)c1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC(=O)C3)c(O)c1 ZINC001237052367 819652604 /nfs/dbraw/zinc/65/26/04/819652604.db2.gz VQYHSSRTGVXDGH-GASCZTMLSA-N 1 0 273.376 3.212 20 10 CGCDRO Cc1ccn2cc(C[N@@H+](C)Cc3c(C)cccc3O)nc2c1 ZINC001237494903 819763816 /nfs/dbraw/zinc/76/38/16/819763816.db2.gz MPPKNYFSCZQEPI-UHFFFAOYSA-N 1 0 295.386 3.289 20 10 CGCDRO CC1CC([N@H+](C)Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001237934115 819885403 /nfs/dbraw/zinc/88/54/03/819885403.db2.gz HIKPTRVKJGTSOB-UHFFFAOYSA-N 1 0 257.736 3.415 20 10 CGCDRO COc1ccccc1C[N@H+](C)Cc1cc(F)cc(C)c1O ZINC001238059827 819921519 /nfs/dbraw/zinc/92/15/19/819921519.db2.gz DTZVVAGBHZIECL-UHFFFAOYSA-N 1 0 289.350 3.480 20 10 CGCDRO Cc1cnc(C[N@H+](C)Cc2ccccc2O)c(C)c1 ZINC001238436722 819997846 /nfs/dbraw/zinc/99/78/46/819997846.db2.gz AULGSQQFQXYEPX-UHFFFAOYSA-N 1 0 256.349 3.036 20 10 CGCDRO CN(C)c1ccc(C2=CCC[NH2+]C2)cc1C(F)(F)F ZINC001240664773 821226641 /nfs/dbraw/zinc/22/66/41/821226641.db2.gz LFKPSDGOTDKMMH-UHFFFAOYSA-N 1 0 270.298 3.148 20 10 CGCDRO Cn1ccc2c1cc[nH+]c2-c1cnc2c(ccn2C)c1 ZINC001240822716 821356656 /nfs/dbraw/zinc/35/66/56/821356656.db2.gz WJWPZGSWJCQCCN-UHFFFAOYSA-N 1 0 262.316 3.127 20 10 CGCDRO Oc1ccc(F)cc1C[NH+]1CC(c2ccc(F)cc2)C1 ZINC001344568546 936538790 /nfs/dbraw/zinc/53/87/90/936538790.db2.gz MYHWGOADOXPYTG-UHFFFAOYSA-N 1 0 275.298 3.270 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@H]2CCO[C@@H](C(C)C)C2)c1O ZINC001350316666 936987209 /nfs/dbraw/zinc/98/72/09/936987209.db2.gz NBCZBDLTLPYPIQ-LSDHHAIUSA-N 1 0 293.407 3.002 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+][C@H]1CCCSCC1 ZINC000692417794 926807870 /nfs/dbraw/zinc/80/78/70/926807870.db2.gz CQHMZQSPBUMXRI-LBPRGKRZSA-N 1 0 271.813 3.421 20 10 CGCDRO C[C@H]1CCC(C)(C)[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC001473544429 937200199 /nfs/dbraw/zinc/20/01/99/937200199.db2.gz WVNMLLPLVYZSNN-HNNXBMFYSA-N 1 0 288.435 3.286 20 10 CGCDRO C[C@H]1C[C@@H]([NH2+]Cc2ccccc2O)CN1Cc1ccccc1 ZINC000151319957 928243093 /nfs/dbraw/zinc/24/30/93/928243093.db2.gz JXZRLJREXJRXFW-MAUKXSAKSA-N 1 0 296.414 3.145 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2C[C@H](C)[C@H](C)C2)c(Cl)c1 ZINC001560687314 937234290 /nfs/dbraw/zinc/23/42/90/937234290.db2.gz JWXYEKQUWOAPCZ-PHIMTYICSA-N 1 0 253.773 3.442 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccccc1O)c1cccc([N+](=O)[O-])c1 ZINC000037775546 928691886 /nfs/dbraw/zinc/69/18/86/928691886.db2.gz OCXQFCWISQSYMG-LLVKDONJSA-N 1 0 272.304 3.151 20 10 CGCDRO CCC[N@H+](Cc1ccccc1O)CC12CC(C)(C1)OC2 ZINC001459552742 937491652 /nfs/dbraw/zinc/49/16/52/937491652.db2.gz CVVZQBSADVWCGM-UHFFFAOYSA-N 1 0 275.392 3.173 20 10 CGCDRO COC1(C)CC[NH+](Cc2c(C)ccc(C)c2O)CC1 ZINC001140178528 931957047 /nfs/dbraw/zinc/95/70/47/931957047.db2.gz NNDZTMQUNHMXTE-UHFFFAOYSA-N 1 0 263.381 3.010 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)c1 ZINC000164531229 932003910 /nfs/dbraw/zinc/00/39/10/932003910.db2.gz NZUBLPJRDSCGQA-ZBFHGGJFSA-N 1 0 275.392 3.010 20 10 CGCDRO COc1ccc(C[N@@H+]2Cc3ccccc3C[C@@H]2C)c(O)c1 ZINC000179911368 932015820 /nfs/dbraw/zinc/01/58/20/932015820.db2.gz BWWFJEKZZQXZCD-ZDUSSCGKSA-N 1 0 283.371 3.348 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@H](CC(C)C)N(C)C)c(Cl)c1 ZINC001461032958 937560725 /nfs/dbraw/zinc/56/07/25/937560725.db2.gz SBKJRCSUJRZRLG-ZDUSSCGKSA-N 1 0 298.858 3.420 20 10 CGCDRO c1cc2c(cc1C[NH2+][C@@H]1CC[C@H]3C[C@H]3C1)CCCO2 ZINC001461623750 937588800 /nfs/dbraw/zinc/58/88/00/937588800.db2.gz PQIVYLXBBZNIQI-CWRNSKLLSA-N 1 0 257.377 3.290 20 10 CGCDRO CCN(CC)c1ccc(CNCC[C@H](C)[NH+](C)C)cc1F ZINC001461661555 937591186 /nfs/dbraw/zinc/59/11/86/937591186.db2.gz FVSNTYXCYKIMSK-AWEZNQCLSA-N 1 0 295.446 3.102 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc3c[nH]nc32)c1 ZINC001461601622 937587813 /nfs/dbraw/zinc/58/78/13/937587813.db2.gz DLZKYAYZEICANZ-LLVKDONJSA-N 1 0 297.358 3.128 20 10 CGCDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1ccc(Cl)cc1O ZINC001462213795 937625714 /nfs/dbraw/zinc/62/57/14/937625714.db2.gz CLMCCMCRTOSTSX-DOMZBBRYSA-N 1 0 294.826 3.104 20 10 CGCDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2C=CCCC2)cc1F ZINC001334889902 932772046 /nfs/dbraw/zinc/77/20/46/932772046.db2.gz AKPGXWBFEXYMNN-GFCCVEGCSA-N 1 0 266.335 3.229 20 10 CGCDRO CCn1cc([C@@H](C)[NH2+]Cc2ccc(Cl)cc2O)cn1 ZINC001462257304 937628018 /nfs/dbraw/zinc/62/80/18/937628018.db2.gz ZOQZYUDKHYYWIG-SNVBAGLBSA-N 1 0 279.771 3.113 20 10 CGCDRO CC[C@@H]1CN(C)CC[N@@H+]1Cc1cc(C(C)C)ccc1O ZINC001462272988 937629126 /nfs/dbraw/zinc/62/91/26/937629126.db2.gz PYLZUDORVZAKKS-MRXNPFEDSA-N 1 0 276.424 3.042 20 10 CGCDRO CO[C@@H](C[NH2+][C@H](C)Cc1ccc(N(C)C)cc1C)C1CC1 ZINC001462353070 937635038 /nfs/dbraw/zinc/63/50/38/937635038.db2.gz CYIQGNASZPTSFG-KDOFPFPSSA-N 1 0 290.451 3.007 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H](CC(=O)OC(C)C)C(C)C)c(O)c1 ZINC001462386089 937637430 /nfs/dbraw/zinc/63/74/30/937637430.db2.gz ZREIYAUDPDQSPC-HNNXBMFYSA-N 1 0 293.407 3.157 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC001462634455 937655346 /nfs/dbraw/zinc/65/53/46/937655346.db2.gz JJTVBLSQUBZTFH-OAHLLOKOSA-N 1 0 275.298 3.448 20 10 CGCDRO C[C@@H](CN1CCC[C@@H](C)C1)[NH2+]Cc1c(O)cccc1Cl ZINC001308221553 933076089 /nfs/dbraw/zinc/07/60/89/933076089.db2.gz CLDPEDDLFPLUJW-OLZOCXBDSA-N 1 0 296.842 3.256 20 10 CGCDRO CC(C)[C@H]1OCCC[C@@H]1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC001308293971 933090212 /nfs/dbraw/zinc/09/02/12/933090212.db2.gz YECHZUMKVURRGR-SJLPKXTDSA-N 1 0 289.419 3.162 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@H]2C[C@H](OCC)C2)cc1C ZINC001308457639 933113684 /nfs/dbraw/zinc/11/36/84/933113684.db2.gz SXRQLYUMHLSGKO-WKILWMFISA-N 1 0 277.408 3.441 20 10 CGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC001308489201 933119005 /nfs/dbraw/zinc/11/90/05/933119005.db2.gz OHESLLSRJLGSLV-KTMFAHBVSA-N 1 0 286.419 3.388 20 10 CGCDRO CCC1CCC([N@H+](CCO)Cc2ccc(C)cc2O)CC1 ZINC001308736011 933167244 /nfs/dbraw/zinc/16/72/44/933167244.db2.gz IHEULRDJQMCHKN-UHFFFAOYSA-N 1 0 291.435 3.464 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C ZINC001308941672 933208342 /nfs/dbraw/zinc/20/83/42/933208342.db2.gz ZVZCCNUOIBEFBN-KCMWZYNZSA-N 1 0 272.436 3.443 20 10 CGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)cc1 ZINC001474746834 934009024 /nfs/dbraw/zinc/00/90/24/934009024.db2.gz GLSJKRKUTCAYMD-PSUYNTKASA-N 1 0 270.420 3.498 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC001320411274 934045477 /nfs/dbraw/zinc/04/54/77/934045477.db2.gz LDCYTRDFDPVLBH-ZLDLUXBVSA-N 1 0 297.402 3.119 20 10 CGCDRO CC[N@@H+](Cc1ccc(N2CCCC2)cc1)C[C@H]1CCOC1 ZINC001320479794 934052746 /nfs/dbraw/zinc/05/27/46/934052746.db2.gz ARWADEVHZCTPOD-QGZVFWFLSA-N 1 0 288.435 3.145 20 10 CGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]CCNc1ccccn1 ZINC001321024783 934136288 /nfs/dbraw/zinc/13/62/88/934136288.db2.gz VOBITRDCWQYSHD-UONOGXRCSA-N 1 0 297.402 3.346 20 10 CGCDRO Cc1ccc(O)c(C[NH+]2CC(c3ccc(F)cc3)C2)c1 ZINC001324710471 934555072 /nfs/dbraw/zinc/55/50/72/934555072.db2.gz LIHPZVFKLRESDR-UHFFFAOYSA-N 1 0 271.335 3.439 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC001325290105 934901220 /nfs/dbraw/zinc/90/12/20/934901220.db2.gz SQLKXNZFDRCSGJ-AEFFLSMTSA-N 1 0 288.435 3.062 20 10 CGCDRO COCC[C@H](C)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001326138973 934954138 /nfs/dbraw/zinc/95/41/38/934954138.db2.gz RGOFQEVSVORLBP-HNNXBMFYSA-N 1 0 276.424 3.049 20 10 CGCDRO CCN(C)c1ccc(C[NH+]2CCC(C)(F)CC2)cc1 ZINC001473685828 937816934 /nfs/dbraw/zinc/81/69/34/937816934.db2.gz QDDJGJRKOYBYMA-UHFFFAOYSA-N 1 0 264.388 3.467 20 10 CGCDRO COc1cc(C[N@@H+]2CCC[C@@H](CCF)C2)c(O)cc1C ZINC001328022531 935109780 /nfs/dbraw/zinc/10/97/80/935109780.db2.gz AFNJIISHNQBDOE-ZDUSSCGKSA-N 1 0 281.371 3.281 20 10 CGCDRO FC1(F)[C@@H]2CC[C@@H]([NH2+]Cc3ccc4c(c3)CCO4)C[C@@H]21 ZINC001328063018 935113516 /nfs/dbraw/zinc/11/35/16/935113516.db2.gz VRLJSKFYFWSQNJ-MCIONIFRSA-N 1 0 279.330 3.145 20 10 CGCDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001328699193 935161358 /nfs/dbraw/zinc/16/13/58/935161358.db2.gz CZXKNWYGLRTDJZ-BASYENTBSA-N 1 0 288.435 3.188 20 10 CGCDRO Nc1ccc(C[NH+]2CCC([C@@H]3CCCCO3)CC2)cc1 ZINC001334754676 936112294 /nfs/dbraw/zinc/11/22/94/936112294.db2.gz QZNSCEFNCFNAJU-KRWDZBQOSA-N 1 0 274.408 3.050 20 10 CGCDRO COc1ccc([C@H]2CC[N@H+](Cc3ccc(N)cc3)C2)cc1 ZINC001335284411 936137500 /nfs/dbraw/zinc/13/75/00/936137500.db2.gz BSTIQPQOFGRUGE-INIZCTEOSA-N 1 0 282.387 3.267 20 10 CGCDRO COc1ccc(CC[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC001473912238 937829558 /nfs/dbraw/zinc/82/95/58/937829558.db2.gz HWDGBEKEVNHKRL-UHFFFAOYSA-N 1 0 297.398 3.353 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCC[C@H](c3ccncn3)C2)c1O ZINC001474379573 937855938 /nfs/dbraw/zinc/85/59/38/937855938.db2.gz XUYAKXGFHRJVJH-HNNXBMFYSA-N 1 0 297.402 3.124 20 10 CGCDRO Cc1cc(O)c(C[N@@H+](C)[C@H](CO)CC(C)C)cc1Cl ZINC001474504103 937863585 /nfs/dbraw/zinc/86/35/85/937863585.db2.gz ATONVZOZEKLWSB-ZDUSSCGKSA-N 1 0 285.815 3.193 20 10 CGCDRO [O-]c1cc(F)c(F)cc1C[NH2+][C@H](c1ccccn1)C1CC1 ZINC001474718656 937876689 /nfs/dbraw/zinc/87/66/89/937876689.db2.gz NTNPHFMEWXQQME-INIZCTEOSA-N 1 0 290.313 3.306 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]C[C@H]1C[C@H]1Cc1ccccc1 ZINC001474750884 937878684 /nfs/dbraw/zinc/87/86/84/937878684.db2.gz BIOANRMVXKEGAC-HUUCEWRRSA-N 1 0 285.362 3.500 20 10 CGCDRO Cc1cc(O)c(C[N@H+](CCO)CC(C)(C)C)cc1Cl ZINC001560654363 938268261 /nfs/dbraw/zinc/26/82/61/938268261.db2.gz LQKDTIQTKKSFNA-UHFFFAOYSA-N 1 0 285.815 3.194 20 10 CGCDRO CC[C@@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2O)[C@@H]1C ZINC001560772353 938274970 /nfs/dbraw/zinc/27/49/70/938274970.db2.gz VSWJGAJGXZISEA-VXGBXAGGSA-N 1 0 279.380 3.030 20 10 CGCDRO CCOC[C@@H]([NH2+]Cc1ccc(Cl)cc1O)C(C)C ZINC001560802492 938276611 /nfs/dbraw/zinc/27/66/11/938276611.db2.gz WMKASUFSUVBLNZ-CYBMUJFWSA-N 1 0 271.788 3.196 20 10 CGCDRO Cc1cc(O)c(CN(C)[C@@H]2CC[N@@H+](C(C)C)C2)c(Cl)c1 ZINC001560882997 938281582 /nfs/dbraw/zinc/28/15/82/938281582.db2.gz GMBLQWJLLWLCMG-CYBMUJFWSA-N 1 0 296.842 3.269 20 10 CGCDRO COc1ccc2c(c1)C[C@@H](C(C)C)CN2C[C@H]1C[C@@H]([NH3+])C1 ZINC001579245728 962623166 /nfs/dbraw/zinc/62/31/66/962623166.db2.gz ZPNMAGAVMMZHIV-BMFZPTHFSA-N 1 0 288.435 3.067 20 10 CGCDRO O=C(/C=C/[C@@H]1CCC[NH2+]C1)N1CCCCCc2ccccc21 ZINC001580491937 962737759 /nfs/dbraw/zinc/73/77/59/962737759.db2.gz VZTGFLFWQMDVKY-PCUGXKRQSA-N 1 0 298.430 3.302 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCOC2CCCC2)c(O)c1 ZINC000104449967 186006872 /nfs/dbraw/zinc/00/68/72/186006872.db2.gz QSTLSMTVQJQYSQ-CYBMUJFWSA-N 1 0 263.381 3.310 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCN(C(C)C)C(C)C)c1 ZINC000019901088 368777637 /nfs/dbraw/zinc/77/76/37/368777637.db2.gz LMXZKNVRLHLVNF-AWEZNQCLSA-N 1 0 294.439 3.170 20 10 CGCDRO CC[C@@H]([NH2+][C@H](C)c1cc(OC)ccc1O)C(C)C ZINC000042584948 369225484 /nfs/dbraw/zinc/22/54/84/369225484.db2.gz FIKSXSHUHWXEEH-BXUZGUMPSA-N 1 0 251.370 3.486 20 10 CGCDRO CC[C@H]([NH2+]Cc1cnn(C)c1C)c1ccc(N(C)C)cc1 ZINC000090887958 370069808 /nfs/dbraw/zinc/06/98/08/370069808.db2.gz SETLBNNOCVCZQK-KRWDZBQOSA-N 1 0 286.423 3.035 20 10 CGCDRO Cc1ccc(O)c(C[N@H+](C)Cc2ccccc2O)c1 ZINC000091974590 370084210 /nfs/dbraw/zinc/08/42/10/370084210.db2.gz KTHUJNVSPDICJP-UHFFFAOYSA-N 1 0 257.333 3.038 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000093505984 370137458 /nfs/dbraw/zinc/13/74/58/370137458.db2.gz BZOSRLXSFJAAGB-ABAIWWIYSA-N 1 0 281.783 3.047 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)[C@@H]2CCOC2)cc1 ZINC000135209190 371401499 /nfs/dbraw/zinc/40/14/99/371401499.db2.gz ZXVVVPAMLGTYNJ-GOEBONIOSA-N 1 0 276.424 3.047 20 10 CGCDRO CSC[C@H](C)[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000134922549 371375009 /nfs/dbraw/zinc/37/50/09/371375009.db2.gz FBUMNEKWCVHSNW-DTWKUNHWSA-N 1 0 259.802 3.448 20 10 CGCDRO CCOCC(C)(C)C[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000290213495 371937128 /nfs/dbraw/zinc/93/71/28/371937128.db2.gz HLKWTEPUGILGCV-ZDUSSCGKSA-N 1 0 265.397 3.414 20 10 CGCDRO CC[C@@H]([NH2+][C@H]1CCOC(C)(C)C1)c1ccccc1O ZINC000159950579 372198002 /nfs/dbraw/zinc/19/80/02/372198002.db2.gz YWPWHRMIBFNOEG-GXTWGEPZSA-N 1 0 263.381 3.391 20 10 CGCDRO Oc1cccc(Cl)c1CN1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC000293842492 372499582 /nfs/dbraw/zinc/49/95/82/372499582.db2.gz BCUGFOAVVSTGFN-HZPDHXFCSA-N 1 0 293.794 3.189 20 10 CGCDRO CCCCOCCC[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000168732759 372616961 /nfs/dbraw/zinc/61/69/61/372616961.db2.gz GXJMKRLGBOLQLA-CYBMUJFWSA-N 1 0 281.396 3.258 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCSC2)c(O)c1 ZINC000168817069 372621264 /nfs/dbraw/zinc/62/12/64/372621264.db2.gz XOLCNLVHPIUVRI-NEPJUHHUSA-N 1 0 251.395 3.247 20 10 CGCDRO CC[C@@H](CCO)C[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000294772212 372670432 /nfs/dbraw/zinc/67/04/32/372670432.db2.gz NFVNTTKVLPLYFF-KGLIPLIRSA-N 1 0 265.397 3.068 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C2CCC(CSC)CC2)c1 ZINC000294949355 372679998 /nfs/dbraw/zinc/67/99/98/372679998.db2.gz FHDPQSIVDWDNFC-UHFFFAOYSA-N 1 0 295.448 3.412 20 10 CGCDRO CCC[C@@H](C[NH2+]Cc1ccc(OC)c(COCC)c1)OC ZINC000295100270 372692102 /nfs/dbraw/zinc/69/21/02/372692102.db2.gz KINBGLWLNFKJCF-INIZCTEOSA-N 1 0 295.423 3.136 20 10 CGCDRO CO[C@@H](C[NH2+][C@H]1CCc2cccc(O)c21)c1ccccc1 ZINC000295880214 372945857 /nfs/dbraw/zinc/94/58/57/372945857.db2.gz HQYKFRWQWDIHSP-RDJZCZTQSA-N 1 0 283.371 3.357 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@H](C)CCCCO)c(O)c1 ZINC000296579537 373185317 /nfs/dbraw/zinc/18/53/17/373185317.db2.gz UGHWGKXZTIZOTD-KGLIPLIRSA-N 1 0 265.397 3.211 20 10 CGCDRO C[C@H](CC(C)(C)O)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000296653801 373208178 /nfs/dbraw/zinc/20/81/78/373208178.db2.gz ZCHMADLPBSYMOO-ZJUUUORDSA-N 1 0 271.788 3.246 20 10 CGCDRO C[C@@H](Cn1cccn1)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000298375168 373307654 /nfs/dbraw/zinc/30/76/54/373307654.db2.gz BFCFFKKXFWQSJW-INIZCTEOSA-N 1 0 298.434 3.052 20 10 CGCDRO CO[C@@H](C[NH2+][C@H]1CCc2cccc(O)c21)C(C)(C)C ZINC000297921198 373283350 /nfs/dbraw/zinc/28/33/50/373283350.db2.gz XDVDAKADDNQHMC-JSGCOSHPSA-N 1 0 263.381 3.030 20 10 CGCDRO CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000180486702 374014446 /nfs/dbraw/zinc/01/44/46/374014446.db2.gz WMVDWTAZAHPVQT-ZDUSSCGKSA-N 1 0 296.842 3.209 20 10 CGCDRO Cc1cccc(C[N@@H+](C)Cc2cc(Cl)cn2C)c1O ZINC000180709371 374038041 /nfs/dbraw/zinc/03/80/41/374038041.db2.gz OKZNCFPMQUUWBG-UHFFFAOYSA-N 1 0 278.783 3.325 20 10 CGCDRO COCc1ccc(C[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000183400426 374409977 /nfs/dbraw/zinc/40/99/77/374409977.db2.gz NLVSGIUIFPGLNW-CYBMUJFWSA-N 1 0 271.360 3.389 20 10 CGCDRO C[C@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1ccccc1O ZINC000183526814 374424730 /nfs/dbraw/zinc/42/47/30/374424730.db2.gz VZELVGOSOPTCKP-XHDPSFHLSA-N 1 0 277.389 3.012 20 10 CGCDRO C[C@@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1ccccc1O ZINC000183526831 374425212 /nfs/dbraw/zinc/42/52/12/374425212.db2.gz VZELVGOSOPTCKP-IAQYHMDHSA-N 1 0 277.389 3.012 20 10 CGCDRO Cc1ccc2c(c1)nc(C[NH2+]Cc1cccc(C)c1O)n2C ZINC000187577222 375046700 /nfs/dbraw/zinc/04/67/00/375046700.db2.gz GMAOPPZHKGEZNQ-UHFFFAOYSA-N 1 0 295.386 3.186 20 10 CGCDRO CC[C@@H]([NH2+]CCOCC(F)F)c1ccc(N(C)C)cc1 ZINC000188751427 375263978 /nfs/dbraw/zinc/26/39/78/375263978.db2.gz XYAPSFCJVBFCRU-CQSZACIVSA-N 1 0 286.366 3.075 20 10 CGCDRO CCSc1cc(C[NH2+]Cc2cc(C)ccc2O)ccn1 ZINC000189586303 375418904 /nfs/dbraw/zinc/41/89/04/375418904.db2.gz PNQXNAFFPMJDPH-UHFFFAOYSA-N 1 0 288.416 3.497 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCS[C@H](C)CC2)c1O ZINC000190684971 375530484 /nfs/dbraw/zinc/53/04/84/375530484.db2.gz WZHAQBGNOFUJIX-GFCCVEGCSA-N 1 0 251.395 3.028 20 10 CGCDRO CC[C@@H]([NH2+][C@H](CO)Cc1cccc(C)c1)c1ccccc1O ZINC000191596151 375642737 /nfs/dbraw/zinc/64/27/37/375642737.db2.gz QSMWXKDDYJFSEB-FUHWJXTLSA-N 1 0 299.414 3.345 20 10 CGCDRO C[C@H](N[C@@H]1CC[NH2+]C12CCC2)c1ccc2ccccc2c1O ZINC000530217409 375939709 /nfs/dbraw/zinc/93/97/09/375939709.db2.gz SSRXUGDRSOVMIE-SUMWQHHRSA-N 1 0 296.414 3.481 20 10 CGCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]C[C@H]1CCC[C@@H]1O ZINC000266130882 378015196 /nfs/dbraw/zinc/01/51/96/378015196.db2.gz CUWIUTDMXKTHSB-AEFFLSMTSA-N 1 0 297.398 3.310 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H](C)Cn2ccnc2)cc1 ZINC000268838714 378127028 /nfs/dbraw/zinc/12/70/28/378127028.db2.gz TWRZDVWWWKSGBW-HUUCEWRRSA-N 1 0 286.423 3.079 20 10 CGCDRO CC(C)[C@H](C)[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000268875612 378139417 /nfs/dbraw/zinc/13/94/17/378139417.db2.gz WNJXZUOWHSOPHL-HNNXBMFYSA-N 1 0 290.451 3.029 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)[C@H]1CCOC1)c1ccc(N(C)C)cc1 ZINC000268879177 378141860 /nfs/dbraw/zinc/14/18/60/378141860.db2.gz JUVUEPPZXGBWJV-KMFMINBZSA-N 1 0 276.424 3.218 20 10 CGCDRO CO[C@H](C[NH2+][C@H](C)c1ccc(N(C)C)cc1)C(C)C ZINC000268891614 378144189 /nfs/dbraw/zinc/14/41/89/378144189.db2.gz DCIKSQLWBJJJPE-CZUORRHYSA-N 1 0 264.413 3.074 20 10 CGCDRO Cc1ccc([C@H](O)C[NH2+][C@H](C)c2ccc(N(C)C)cc2)o1 ZINC000269059195 378182770 /nfs/dbraw/zinc/18/27/70/378182770.db2.gz SWCWATFCIDKMGR-CZUORRHYSA-N 1 0 288.391 3.038 20 10 CGCDRO CC(C)[NH+]1CCC([N@H+](C)Cc2ccc(N(C)C)cc2)CC1 ZINC000271040863 378435176 /nfs/dbraw/zinc/43/51/76/378435176.db2.gz MLMALVXAPMWQCP-UHFFFAOYSA-N 1 0 289.467 3.057 20 10 CGCDRO [O-]c1c(Cl)cccc1C[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000271755278 378502349 /nfs/dbraw/zinc/50/23/49/378502349.db2.gz WVPKHOIVWIXFQU-UHFFFAOYSA-N 1 0 291.782 3.148 20 10 CGCDRO COc1cccc(C2([NH2+]Cc3cc(OC)ccc3O)CC2)c1 ZINC000271778750 378504839 /nfs/dbraw/zinc/50/48/39/378504839.db2.gz DETYXYGPMOCNMC-UHFFFAOYSA-N 1 0 299.370 3.188 20 10 CGCDRO CCc1noc(C)c1C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000271777664 378505023 /nfs/dbraw/zinc/50/50/23/378505023.db2.gz FIKIEXMVFAMZNU-SNVBAGLBSA-N 1 0 290.363 3.110 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+][C@@H]2CCO[C@H](C)C2)c1O ZINC000271828040 378509910 /nfs/dbraw/zinc/50/99/10/378509910.db2.gz OIHULQMHYOWYAI-ZWNOBZJWSA-N 1 0 269.772 3.011 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H]2CCO[C@H](CC(C)C)C2)c1 ZINC000272019987 378546821 /nfs/dbraw/zinc/54/68/21/378546821.db2.gz RQESKDCSKUTRMF-JKSUJKDBSA-N 1 0 277.408 3.384 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]C1(c2ccccc2)CC1 ZINC000272517414 378656791 /nfs/dbraw/zinc/65/67/91/378656791.db2.gz XUVZQJWXQRECRQ-UHFFFAOYSA-N 1 0 257.308 3.310 20 10 CGCDRO C[C@H]([NH2+][C@@H](CO)c1ccc(F)cc1)c1cc(F)ccc1O ZINC000273494607 378750640 /nfs/dbraw/zinc/75/06/40/378750640.db2.gz OWBNMRINDLPSOI-BONVTDFDSA-N 1 0 293.313 3.055 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)c1cnn(C)c1 ZINC000273551313 378751896 /nfs/dbraw/zinc/75/18/96/378751896.db2.gz GBUKKXNNJRXSJO-ZJUUUORDSA-N 1 0 279.771 3.191 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCc3c2cccc3O)c1 ZINC000273550372 378752242 /nfs/dbraw/zinc/75/22/42/378752242.db2.gz FSTWKNWXNFDTDV-BZNIZROVSA-N 1 0 299.370 3.445 20 10 CGCDRO C[C@@H](COCC(F)(F)F)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000273588472 378754246 /nfs/dbraw/zinc/75/42/46/378754246.db2.gz ONFRDPBACINBHS-IUCAKERBSA-N 1 0 295.276 3.149 20 10 CGCDRO Cc1ccc([C@H](O)C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)o1 ZINC000273567969 378754754 /nfs/dbraw/zinc/75/47/54/378754754.db2.gz JZQONGSEASMGFO-DZGCQCFKSA-N 1 0 289.375 3.295 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCCC3(CCOCC3)C2)c1O ZINC000373227138 379245859 /nfs/dbraw/zinc/24/58/59/379245859.db2.gz IQWDREXYCYZLKS-UHFFFAOYSA-N 1 0 275.392 3.093 20 10 CGCDRO CO[C@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])[C@H](C)C1 ZINC000282300143 379892838 /nfs/dbraw/zinc/89/28/38/379892838.db2.gz MFYGJRQFZLVFSO-PWSUYJOCSA-N 1 0 269.772 3.045 20 10 CGCDRO CO[C@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])[C@@H](C)C1 ZINC000282300141 379892937 /nfs/dbraw/zinc/89/29/37/379892937.db2.gz MFYGJRQFZLVFSO-JQWIXIFHSA-N 1 0 269.772 3.045 20 10 CGCDRO CCOCc1cc(C[NH2+][C@H]2CSC2(C)C)ccc1OC ZINC000282609537 379953669 /nfs/dbraw/zinc/95/36/69/379953669.db2.gz DRCQURXVSYEJLH-HNNXBMFYSA-N 1 0 295.448 3.215 20 10 CGCDRO Cc1cc(C)cc([C@@H](O)C[NH2+]Cc2cccc(C)c2O)c1 ZINC000283093061 380033060 /nfs/dbraw/zinc/03/30/60/380033060.db2.gz SJAZCAOPIAVQOM-KRWDZBQOSA-N 1 0 285.387 3.141 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CSC1(C)C)c1cc(F)ccc1O ZINC000283142438 380038666 /nfs/dbraw/zinc/03/86/66/380038666.db2.gz HIKCGZJCSSZMED-PELKAZGASA-N 1 0 255.358 3.076 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2CCO[C@@H](C)C2)c(O)c1 ZINC000285098771 380146013 /nfs/dbraw/zinc/14/60/13/380146013.db2.gz KEBXUFYBEOQNFB-KKUMJFAQSA-N 1 0 277.408 3.475 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]CC2(N(C)C)CCC2)c(O)c1 ZINC000285268057 380146138 /nfs/dbraw/zinc/14/61/38/380146138.db2.gz QQUBZHRRVQUVID-AWEZNQCLSA-N 1 0 276.424 3.144 20 10 CGCDRO Cc1noc(C)c1C(C)(C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000285377763 380148641 /nfs/dbraw/zinc/14/86/41/380148641.db2.gz CJYDCTHIIKAGMS-UHFFFAOYSA-N 1 0 286.375 3.251 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2CCCOC2)c(O)c1 ZINC000285379192 380148775 /nfs/dbraw/zinc/14/87/75/380148775.db2.gz WGJBNKZVKNOGGE-UONOGXRCSA-N 1 0 263.381 3.086 20 10 CGCDRO CCC[C@@H](CCO)C[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000284148960 380131050 /nfs/dbraw/zinc/13/10/50/380131050.db2.gz PDYFJKHOFFVNHG-CABCVRRESA-N 1 0 279.424 3.458 20 10 CGCDRO Oc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297712824 285395194 /nfs/dbraw/zinc/39/51/94/285395194.db2.gz MVTGIDDHFGWCMP-LSDHHAIUSA-N 1 0 281.355 3.362 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCCc3c2cnn3C)c1 ZINC000037087408 391980427 /nfs/dbraw/zinc/98/04/27/391980427.db2.gz LSLPSWBIAQWRQR-DOMZBBRYSA-N 1 0 285.391 3.162 20 10 CGCDRO COc1cccc(C[N@H+](C)[C@@H](C)c2cccc(O)c2)c1O ZINC000093315916 392237245 /nfs/dbraw/zinc/23/72/45/392237245.db2.gz FTZTVLWUPBVRFS-LBPRGKRZSA-N 1 0 287.359 3.299 20 10 CGCDRO CCCOc1ccc(C[N@@H+]2CC[C@@H](OC)C[C@H]2C)c(O)c1 ZINC000282206886 392284299 /nfs/dbraw/zinc/28/42/99/392284299.db2.gz HDKRDBSTLNTTQX-UKRRQHHQSA-N 1 0 293.407 3.180 20 10 CGCDRO CCSCC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000119487010 392396671 /nfs/dbraw/zinc/39/66/71/392396671.db2.gz AHUWJBMNRULEDZ-HNNXBMFYSA-N 1 0 295.448 3.126 20 10 CGCDRO Oc1ccccc1C[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000133133564 392463460 /nfs/dbraw/zinc/46/34/60/392463460.db2.gz PSFPJUCEPFPZNF-HNNXBMFYSA-N 1 0 275.392 3.364 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCc2cn3c(n2)CCCC3)c1 ZINC000368477309 392491712 /nfs/dbraw/zinc/49/17/12/392491712.db2.gz FOKOHHNLLZTDDU-CQSZACIVSA-N 1 0 299.418 3.127 20 10 CGCDRO C[C@@H](c1ccccn1)[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000178416824 392678566 /nfs/dbraw/zinc/67/85/66/392678566.db2.gz VEXWFXJADGPAQI-AWEZNQCLSA-N 1 0 269.392 3.341 20 10 CGCDRO Cc1nn(C)cc1[C@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000178716677 392684132 /nfs/dbraw/zinc/68/41/32/392684132.db2.gz ALUIZGYUVVLVTQ-STQMWFEESA-N 1 0 286.423 3.206 20 10 CGCDRO CSC1(C[NH2+]Cc2cccc(C)c2O)CCC1 ZINC000193363922 392875627 /nfs/dbraw/zinc/87/56/27/392875627.db2.gz GFODLAHMTSSVQW-UHFFFAOYSA-N 1 0 251.395 3.076 20 10 CGCDRO CCOCc1cc(C[NH2+]CC2(SC)CC2)ccc1OC ZINC000193658500 392882634 /nfs/dbraw/zinc/88/26/34/392882634.db2.gz UDEWPWSEDNUIOL-UHFFFAOYSA-N 1 0 295.448 3.217 20 10 CGCDRO COc1cccc(C[NH2+]CCc2ccc(Cl)s2)c1O ZINC000227441174 393015207 /nfs/dbraw/zinc/01/52/07/393015207.db2.gz PZXJVLWMVUXQLH-UHFFFAOYSA-N 1 0 297.807 3.448 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]CCc2ccc(F)cc2)c1 ZINC000071403739 176155542 /nfs/dbraw/zinc/15/55/42/176155542.db2.gz BAJPMSFLNVNFFD-UHFFFAOYSA-N 1 0 259.324 3.172 20 10 CGCDRO Cc1cccc(C[NH2+][C@H]2CCCC23CCOCC3)c1O ZINC000367107310 227017278 /nfs/dbraw/zinc/01/72/78/227017278.db2.gz MWJIGOHYXZJMJD-HNNXBMFYSA-N 1 0 275.392 3.140 20 10 CGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H](C)CCn1cccn1 ZINC000355136215 227439069 /nfs/dbraw/zinc/43/90/69/227439069.db2.gz RAKKIRVFLDPDKN-AWEZNQCLSA-N 1 0 296.418 3.252 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc(F)cn1 ZINC000092195436 260267747 /nfs/dbraw/zinc/26/77/47/260267747.db2.gz XRLHPCXKIHSMFZ-GFCCVEGCSA-N 1 0 273.355 3.138 20 10 CGCDRO Cc1noc(C)c1C[NH2+][C@H](C)c1ccc(C)cc1O ZINC000092329135 260269378 /nfs/dbraw/zinc/26/93/78/260269378.db2.gz UENYQKMIKWMYQQ-SNVBAGLBSA-N 1 0 260.337 3.156 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1CCO[C@H](C2CC2)C1)c1ccccc1O ZINC000158130227 261159462 /nfs/dbraw/zinc/15/94/62/261159462.db2.gz BZQDUGISPBIISC-UNEWFSDZSA-N 1 0 275.392 3.391 20 10 CGCDRO CC[C@@H]([NH2+][C@H]1CCCC[C@@H]1O)c1ccc(N(C)C)cc1 ZINC000165262401 261367887 /nfs/dbraw/zinc/36/78/87/261367887.db2.gz FKVIPMFXOJRUIO-IKGGRYGDSA-N 1 0 276.424 3.097 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(Cl)nc2)c1 ZINC000182387651 261936764 /nfs/dbraw/zinc/93/67/64/261936764.db2.gz KZNTVVVCEDJYEH-SNVBAGLBSA-N 1 0 292.766 3.300 20 10 CGCDRO C[C@@H]([NH2+]C1CCN(C)CC1)c1cc2c(cc1O)CCCC2 ZINC000184897549 262032693 /nfs/dbraw/zinc/03/26/93/262032693.db2.gz XSSZJTMWJMPASH-CYBMUJFWSA-N 1 0 288.435 3.016 20 10 CGCDRO COc1cc(C[NH2+][C@H](C)c2cc(Cl)ccc2O)ccn1 ZINC000184973909 262035940 /nfs/dbraw/zinc/03/59/40/262035940.db2.gz CTGLQJAOQOWHNI-SNVBAGLBSA-N 1 0 292.766 3.300 20 10 CGCDRO Cc1nccn1C[C@H](C)C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000185347257 262051913 /nfs/dbraw/zinc/05/19/13/262051913.db2.gz IGGXYACRGMAUJZ-VXGBXAGGSA-N 1 0 291.370 3.023 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](CCO)CC(C)C)c(O)c1 ZINC000185615221 262062487 /nfs/dbraw/zinc/06/24/87/262062487.db2.gz PPPWXLRVGXVKGG-CABCVRRESA-N 1 0 279.424 3.396 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCCc2ccccn2)c1 ZINC000186140604 262081221 /nfs/dbraw/zinc/08/12/21/262081221.db2.gz SCLMADRFAXPMCO-CQSZACIVSA-N 1 0 270.376 3.379 20 10 CGCDRO C/C=C/C[C@H](CO)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000186512076 262096468 /nfs/dbraw/zinc/09/64/68/262096468.db2.gz OUOXLDQVJZESJJ-KJDJKKKBSA-N 1 0 269.772 3.023 20 10 CGCDRO CC1(C)[C@H]([NH2+]Cc2cc(Cl)ccc2O)[C@@H]2CCCO[C@H]21 ZINC000371798654 262157154 /nfs/dbraw/zinc/15/71/54/262157154.db2.gz CNYMNTFQZKTWLM-NWANDNLSSA-N 1 0 295.810 3.339 20 10 CGCDRO CC[C@H](C)N(C)CC[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000185316488 262304606 /nfs/dbraw/zinc/30/46/06/262304606.db2.gz PAUSAHPXHINUOS-KBPBESRZSA-N 1 0 264.413 3.082 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H](O)CC(C)(C)C)c1ccccc1O ZINC000186197973 262311647 /nfs/dbraw/zinc/31/16/47/262311647.db2.gz QNEHHVVZUDCEIV-TZMCWYRMSA-N 1 0 265.397 3.230 20 10 CGCDRO COc1ccc(N2CCC([NH2+][C@H](C)C3CC3)CC2)cc1 ZINC000370113183 267292031 /nfs/dbraw/zinc/29/20/31/267292031.db2.gz QQQRUYPSGHFRKY-CYBMUJFWSA-N 1 0 274.408 3.052 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C/C=C(\C)Cl)c1 ZINC000528437485 270165447 /nfs/dbraw/zinc/16/54/47/270165447.db2.gz NUTRTXWFYLVVSK-OLKPEBQYSA-N 1 0 255.745 3.194 20 10 CGCDRO CC(C)n1ncc2c1C[C@H]([NH2+][C@H](C)c1ccccc1O)CC2 ZINC000375451028 267860729 /nfs/dbraw/zinc/86/07/29/267860729.db2.gz KHPFEHFOODDFGD-UKRRQHHQSA-N 1 0 299.418 3.378 20 10 CGCDRO C[C@@H](CCO)C1(C[NH2+][C@@H]2CCc3cccc(O)c32)CCC1 ZINC000296826433 277565054 /nfs/dbraw/zinc/56/50/54/277565054.db2.gz MIFDJHJUIHRKLS-DZGCQCFKSA-N 1 0 289.419 3.158 20 10 CGCDRO CC[C@H]([NH2+]CCc1cn2ccccc2n1)c1ccccc1O ZINC000131016164 288042445 /nfs/dbraw/zinc/04/24/45/288042445.db2.gz JJWYHURYUMICGN-INIZCTEOSA-N 1 0 295.386 3.323 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCOC1(C)C)c1ccc(C)cc1O ZINC000296577990 328291205 /nfs/dbraw/zinc/29/12/05/328291205.db2.gz UCFCBIAMUFAIGN-DZGCQCFKSA-N 1 0 263.381 3.309 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CC[C@@H]2CCCOC2)cc1Cl ZINC000529637215 328592133 /nfs/dbraw/zinc/59/21/33/328592133.db2.gz PTASXIZIBNJKBI-LBPRGKRZSA-N 1 0 283.799 3.260 20 10 CGCDRO C[NH2+]CCc1ccccc1C(=O)N(C)c1cc(C)cc(C)c1 ZINC000262040023 327081028 /nfs/dbraw/zinc/08/10/28/327081028.db2.gz BRSTZHWDNFIFEH-UHFFFAOYSA-N 1 0 296.414 3.342 20 10 CGCDRO CO[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)CC1 ZINC000378631400 329057166 /nfs/dbraw/zinc/05/71/66/329057166.db2.gz GYYMLDIINPQRDU-CYBMUJFWSA-N 1 0 269.772 3.047 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]C[C@H]1CCN1C1CCCC1 ZINC000527805260 330284387 /nfs/dbraw/zinc/28/43/87/330284387.db2.gz FYYJSLFHXLWEQF-OAHLLOKOSA-N 1 0 294.826 3.152 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)c2ncccc2F)c1 ZINC000527827077 330286697 /nfs/dbraw/zinc/28/66/97/330286697.db2.gz ZOWCFNHGUZOZFW-NSHDSACASA-N 1 0 260.312 3.086 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1CCN1C1CCCCC1)c1ccccc1O ZINC000527953398 330294692 /nfs/dbraw/zinc/29/46/92/330294692.db2.gz XOOYDJIDKLKPKN-GDBMZVCRSA-N 1 0 288.435 3.450 20 10 CGCDRO CC[C@H]([NH2+]CC12CC(C1)CO2)c1cc(Cl)ccc1O ZINC000527981988 330298283 /nfs/dbraw/zinc/29/82/83/330298283.db2.gz PNZPXSMMDQIUAK-IQYSWEBNSA-N 1 0 281.783 3.265 20 10 CGCDRO Cc1ncccc1C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000527989129 330299118 /nfs/dbraw/zinc/29/91/18/330299118.db2.gz WRGYNHYKOUXSHL-NSHDSACASA-N 1 0 260.312 3.086 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCN2C2CCCC2)c(O)c1 ZINC000528001088 330300074 /nfs/dbraw/zinc/30/00/74/330300074.db2.gz KXSSYXFZKBKNFO-HOCLYGCPSA-N 1 0 288.435 3.368 20 10 CGCDRO CCCCOCC[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000040506755 520782968 /nfs/dbraw/zinc/78/29/68/520782968.db2.gz QTGPDZAMBYQGDE-ZDUSSCGKSA-N 1 0 251.370 3.168 20 10 CGCDRO CC(C)C[C@@H](CCO)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297576413 519774974 /nfs/dbraw/zinc/77/49/74/519774974.db2.gz GYLDFRXVUOGFHK-UKRRQHHQSA-N 1 0 277.408 3.014 20 10 CGCDRO CC(F)(F)CC[NH2+]Cc1cc(Br)ccc1O ZINC000294130264 520166791 /nfs/dbraw/zinc/16/67/91/520166791.db2.gz FLMXQRIUGJMFKQ-UHFFFAOYSA-N 1 0 294.139 3.290 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCOC[C@@H]2C)cc1 ZINC000278634150 520290684 /nfs/dbraw/zinc/29/06/84/520290684.db2.gz SCJNRGDHYCNGHW-ZQIUZPCESA-N 1 0 276.424 3.218 20 10 CGCDRO CCCOc1ccc(C[NH2+]CCC2(OC)CCC2)c(O)c1 ZINC000293004469 520366960 /nfs/dbraw/zinc/36/69/60/520366960.db2.gz PEDRWWZJRBMWHM-UHFFFAOYSA-N 1 0 293.407 3.230 20 10 CGCDRO CCCN(Cc1cnccc1C)c1ccc(C[NH3+])cc1 ZINC000280564426 521691666 /nfs/dbraw/zinc/69/16/66/521691666.db2.gz LDTQMXJXNBPYMQ-UHFFFAOYSA-N 1 0 269.392 3.265 20 10 CGCDRO CC[C@H]([NH2+]CCCOC[C@@H]1CCCO1)c1ccccc1O ZINC000020146781 522585382 /nfs/dbraw/zinc/58/53/82/522585382.db2.gz MFAZUXBDMNAJEY-HOCLYGCPSA-N 1 0 293.407 3.019 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(C(N)=O)cc1)c1ccc(C)cc1O ZINC000279921036 522645945 /nfs/dbraw/zinc/64/59/45/522645945.db2.gz ADQACZPLMWVESH-INIZCTEOSA-N 1 0 298.386 3.040 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)nc1)c1ccc(C)cc1O ZINC000280093663 522648073 /nfs/dbraw/zinc/64/80/73/522648073.db2.gz MOHUVQOYPNZFFN-INIZCTEOSA-N 1 0 299.418 3.403 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)c1cn[nH]c1)c1ccc(C)cc1O ZINC000280214473 522698673 /nfs/dbraw/zinc/69/86/73/522698673.db2.gz UIJWDDJHOXALDY-FZMZJTMJSA-N 1 0 259.353 3.226 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)CCC2CCOCC2)cc1 ZINC000129612364 522719767 /nfs/dbraw/zinc/71/97/67/522719767.db2.gz KIFQAAXDUBODBF-UHFFFAOYSA-N 1 0 276.424 3.001 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCC[C@H]1CCO)c1ccc(C)cc1O ZINC000280289674 522753364 /nfs/dbraw/zinc/75/33/64/522753364.db2.gz ZBPXVESPKKULQT-BPUTZDHNSA-N 1 0 277.408 3.292 20 10 CGCDRO CC[C@@H]([NH2+]CCc1cccnc1)c1ccc(N(C)C)cc1 ZINC000133503325 522842841 /nfs/dbraw/zinc/84/28/41/522842841.db2.gz SCHVTTLNWLQQCZ-GOSISDBHSA-N 1 0 283.419 3.431 20 10 CGCDRO CCc1noc(C)c1C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000274818274 522845484 /nfs/dbraw/zinc/84/54/84/522845484.db2.gz ASXBKRKNUSUKNR-LBPRGKRZSA-N 1 0 287.407 3.462 20 10 CGCDRO COCC1(CC[NH2+]Cc2ccc(N(C)C)c(F)c2)CCC1 ZINC000292830365 522863313 /nfs/dbraw/zinc/86/33/13/522863313.db2.gz ANQJRANGNBWDKH-UHFFFAOYSA-N 1 0 294.414 3.188 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](COC)C1CC1)c1ccc(C)cc1O ZINC000280173576 522921478 /nfs/dbraw/zinc/92/14/78/522921478.db2.gz RHXXCMIDKXVGJN-CABCVRRESA-N 1 0 263.381 3.166 20 10 CGCDRO CO[C@@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000290163633 523430946 /nfs/dbraw/zinc/43/09/46/523430946.db2.gz MCNCEMHORWSYDL-AGIUHOORSA-N 1 0 251.370 3.083 20 10 CGCDRO CO[C@](C)(C[NH2+][C@H](C)c1ccc(C)c(C)c1O)C1CC1 ZINC000291099540 524027453 /nfs/dbraw/zinc/02/74/53/524027453.db2.gz DNEOZJJRGFFTTG-CXAGYDPISA-N 1 0 277.408 3.475 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H]2[C@H]3Cc4ccccc4[C@@H]23)c1O ZINC000290289182 524438220 /nfs/dbraw/zinc/43/82/20/524438220.db2.gz AESWJASEZAUUGF-GVDBMIGSSA-N 1 0 265.356 3.129 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CC(C)(C)[C@@H]2c2cccnc2)c1 ZINC000366554473 524737150 /nfs/dbraw/zinc/73/71/50/524737150.db2.gz LVBPZPDRJNAPBT-KRWDZBQOSA-N 1 0 298.386 3.379 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2COc3ccccc32)c1 ZINC000290264285 524762789 /nfs/dbraw/zinc/76/27/89/524762789.db2.gz KXLABFROMGPYBM-CHWSQXEVSA-N 1 0 299.370 3.228 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCSC(C)(C)C2)c1 ZINC000093504624 525341878 /nfs/dbraw/zinc/34/18/78/525341878.db2.gz XTADHSLDOUOUAN-UHFFFAOYSA-N 1 0 251.395 3.028 20 10 CGCDRO C[C@H]([NH2+]CCc1nccs1)c1ccc(N(C)C)cc1 ZINC000063133790 525372444 /nfs/dbraw/zinc/37/24/44/525372444.db2.gz DXUWMZGULMHKHI-LBPRGKRZSA-N 1 0 275.421 3.102 20 10 CGCDRO C[C@H]([NH2+]C[C@@]1(CO)C[C@H]1c1ccccc1)c1ccccc1O ZINC000289580538 525403222 /nfs/dbraw/zinc/40/32/22/525403222.db2.gz BLBOQYNWLLIGHM-UCLAIMLFSA-N 1 0 297.398 3.209 20 10 CGCDRO C[C@@H]([NH2+]CCc1cn[nH]c1)c1ccc(N2CCCCC2)cc1 ZINC000289616683 525466920 /nfs/dbraw/zinc/46/69/20/525466920.db2.gz DIHQEGWJYDAVKN-OAHLLOKOSA-N 1 0 298.434 3.293 20 10 CGCDRO C[C@@]1(C[NH2+]Cc2ccccc2O)OCCc2sccc21 ZINC000289969917 525848159 /nfs/dbraw/zinc/84/81/59/525848159.db2.gz YWYBRRLYNAQEOB-INIZCTEOSA-N 1 0 289.400 3.031 20 10 CGCDRO CS[C@H](C)C[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000134937511 525886319 /nfs/dbraw/zinc/88/63/19/525886319.db2.gz SULJUKLYSYLUPA-RKDXNWHRSA-N 1 0 259.802 3.448 20 10 CGCDRO CC(C)n1cc([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2)cn1 ZINC000732821034 572485060 /nfs/dbraw/zinc/48/50/60/572485060.db2.gz UKNSIDOBUDFVQA-AWEZNQCLSA-N 1 0 286.423 3.381 20 10 CGCDRO CCOCCC[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000741805295 572531481 /nfs/dbraw/zinc/53/14/81/572531481.db2.gz LYRSCHOSUVPVHH-UHFFFAOYSA-N 1 0 276.424 3.144 20 10 CGCDRO COc1ccc(C[NH2+]Cc2c(O)cccc2Cl)cc1O ZINC000733327157 572556622 /nfs/dbraw/zinc/55/66/22/572556622.db2.gz MKTZHIVOKAFTRL-UHFFFAOYSA-N 1 0 293.750 3.050 20 10 CGCDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C12CCC2 ZINC000742374206 572570597 /nfs/dbraw/zinc/57/05/97/572570597.db2.gz QHTSCZCAVQSRKE-IRXDYDNUSA-N 1 0 287.403 3.059 20 10 CGCDRO COc1ccc(N2CCC[N@H+](CCC3CC3)CC2)cc1 ZINC000743843533 572688252 /nfs/dbraw/zinc/68/82/52/572688252.db2.gz WBTJULTWODLTFL-UHFFFAOYSA-N 1 0 274.408 3.007 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]CC2Cc3ccccc3C2)c1 ZINC000735324568 572715103 /nfs/dbraw/zinc/71/51/03/572715103.db2.gz SOVCBAUMSMTTJG-UHFFFAOYSA-N 1 0 267.372 3.205 20 10 CGCDRO CO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(C)cc2O)C1(C)C ZINC000300418942 617789202 /nfs/dbraw/zinc/78/92/02/617789202.db2.gz IMCSYSVDZIBPKS-KCPJHIHWSA-N 1 0 263.381 3.165 20 10 CGCDRO CCOc1cccc(C[NH2+][C@H](C)c2nc(C)cs2)c1O ZINC000069168288 617935979 /nfs/dbraw/zinc/93/59/79/617935979.db2.gz BIRAKVBXFQKDNQ-LLVKDONJSA-N 1 0 292.404 3.407 20 10 CGCDRO CCCCOCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC000083482452 618008117 /nfs/dbraw/zinc/00/81/17/618008117.db2.gz KPNVJJRHQSYXEW-UHFFFAOYSA-N 1 0 265.397 3.300 20 10 CGCDRO C[C@H](C[NH2+]Cc1c(O)cccc1Cl)N1CCCCC1 ZINC000083552076 618009610 /nfs/dbraw/zinc/00/96/10/618009610.db2.gz RDLFAMZPVYKXHF-GFCCVEGCSA-N 1 0 282.815 3.010 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](C)[C@@H]2CC)c1O ZINC000187576023 618110515 /nfs/dbraw/zinc/11/05/15/618110515.db2.gz TYPWITSBVAQUCT-OCCSQVGLSA-N 1 0 263.381 3.411 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H](C)CCOC)cc1 ZINC000840836952 618165487 /nfs/dbraw/zinc/16/54/87/618165487.db2.gz LTROFJJMYFNTMR-GJZGRUSLSA-N 1 0 278.440 3.466 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)Cc2cnn(C3CCC3)c2)cc1 ZINC000891396713 618184799 /nfs/dbraw/zinc/18/47/99/618184799.db2.gz CPWSJFXFKQKDRY-UHFFFAOYSA-N 1 0 298.434 3.306 20 10 CGCDRO C[N@H+](Cc1cc(F)c(F)c(F)c1)Cc1ccccc1O ZINC000120053546 618611325 /nfs/dbraw/zinc/61/13/25/618611325.db2.gz FJUDBPFHWQRUSO-UHFFFAOYSA-N 1 0 281.277 3.442 20 10 CGCDRO Cc1cccc(CC[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000051669451 618624546 /nfs/dbraw/zinc/62/45/46/618624546.db2.gz UJISRUIMHFEWPI-UHFFFAOYSA-N 1 0 267.372 3.262 20 10 CGCDRO CSCC[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000176795287 618726407 /nfs/dbraw/zinc/72/64/07/618726407.db2.gz SZIGFYKMCJIQRU-UHFFFAOYSA-N 1 0 277.389 3.350 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCOCC(F)(F)F)c(Cl)c1 ZINC000840873367 618740041 /nfs/dbraw/zinc/74/00/41/618740041.db2.gz TZLLZYTUONYYDL-UHFFFAOYSA-N 1 0 297.704 3.023 20 10 CGCDRO CCC[C@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000179325985 618776080 /nfs/dbraw/zinc/77/60/80/618776080.db2.gz YLFJSWHXEWHRCT-HNNXBMFYSA-N 1 0 276.424 3.144 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)c(O)c1OC ZINC000892448013 618788058 /nfs/dbraw/zinc/78/80/58/618788058.db2.gz ZPECRSKZKOMSTF-MBNYWOFBSA-N 1 0 293.407 3.324 20 10 CGCDRO COc1ccc(C[NH2+]C2(C)CCCCC2)c(O)c1OC ZINC000892460249 618790704 /nfs/dbraw/zinc/79/07/04/618790704.db2.gz PSMQCYBGYQRMBG-UHFFFAOYSA-N 1 0 279.380 3.222 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)[C@@H]2CC2(F)F)c1 ZINC000840879970 618811517 /nfs/dbraw/zinc/81/15/17/618811517.db2.gz VDCXBUQRLMRXJH-SBMIAAHKSA-N 1 0 271.307 3.095 20 10 CGCDRO COc1ccc(OCC[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC000179887180 618814442 /nfs/dbraw/zinc/81/44/42/618814442.db2.gz CMZJDCROTXWVHU-ZDUSSCGKSA-N 1 0 287.359 3.130 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCS[C@H]1C ZINC000783628892 618914645 /nfs/dbraw/zinc/91/46/45/618914645.db2.gz NDNQCPDSDBLXIG-SWLSCSKDSA-N 1 0 264.438 3.045 20 10 CGCDRO CCc1onc(C)c1C[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000892731540 618927098 /nfs/dbraw/zinc/92/70/98/618927098.db2.gz DJVMVKQKVIFDPJ-UHFFFAOYSA-N 1 0 299.418 3.218 20 10 CGCDRO CCOC1(C[NH2+][C@@H]2CCc3cccc(O)c32)CCCC1 ZINC000312336497 619065237 /nfs/dbraw/zinc/06/52/37/619065237.db2.gz LWTILSMSYNZHLH-CQSZACIVSA-N 1 0 275.392 3.318 20 10 CGCDRO CO[C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(C)c2O)C1(C)C ZINC000776230425 619117508 /nfs/dbraw/zinc/11/75/08/619117508.db2.gz HWLWCYLYQFKQGK-STQMWFEESA-N 1 0 283.799 3.257 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2Cc3ccccc3O2)c1 ZINC000314593330 619126845 /nfs/dbraw/zinc/12/68/45/619126845.db2.gz RDFAXMIBBANKOX-SWLSCSKDSA-N 1 0 299.370 3.055 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]CCOCC1CCCC1)CC2 ZINC000313255798 619165374 /nfs/dbraw/zinc/16/53/74/619165374.db2.gz SGZZKOPTTVFKEV-HNNXBMFYSA-N 1 0 275.392 3.176 20 10 CGCDRO CCOC[C@H]1CCCC[N@@H+]1Cc1cccc(C)c1O ZINC000313467440 619173848 /nfs/dbraw/zinc/17/38/48/619173848.db2.gz HDNIBRAJMJBWDZ-OAHLLOKOSA-N 1 0 263.381 3.092 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](C)N2CCC(C)CC2)c(O)c1 ZINC000185227508 625324880 /nfs/dbraw/zinc/32/48/80/625324880.db2.gz GDJRIWAHMNTUNO-CVEARBPZSA-N 1 0 290.451 3.472 20 10 CGCDRO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccc(N(C)C)cc3C)C2)c1 ZINC000840947466 619248809 /nfs/dbraw/zinc/24/88/09/619248809.db2.gz JWIVTDZQFPFBEA-GOSISDBHSA-N 1 0 298.434 3.013 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CS[C@H](C)C1 ZINC000840959022 619275752 /nfs/dbraw/zinc/27/57/52/619275752.db2.gz RBORTEBZTRMQBD-TZMCWYRMSA-N 1 0 264.438 3.045 20 10 CGCDRO C[C@@]1(C[NH2+]Cc2ccc(N3CCCCC3)cc2)CCCO1 ZINC000094798350 619287956 /nfs/dbraw/zinc/28/79/56/619287956.db2.gz VNWMSJWFQCIVHJ-SFHVURJKSA-N 1 0 288.435 3.336 20 10 CGCDRO CC(C)(C)C1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000096630362 619295441 /nfs/dbraw/zinc/29/54/41/619295441.db2.gz BBOBXSOOVQSSER-UHFFFAOYSA-N 1 0 291.391 3.379 20 10 CGCDRO OC[C@H]1CCC[C@@H]([NH2+]Cc2ccc3ccccc3c2O)C1 ZINC000840980381 619311067 /nfs/dbraw/zinc/31/10/67/619311067.db2.gz YHQGITYQHFQEFQ-XJKSGUPXSA-N 1 0 285.387 3.186 20 10 CGCDRO COc1cc(C)cc(C[N@H+](C)[C@H](C)c2ccco2)c1O ZINC000893930573 619335144 /nfs/dbraw/zinc/33/51/44/619335144.db2.gz DAXRIABMCULPLE-GFCCVEGCSA-N 1 0 275.348 3.495 20 10 CGCDRO Cc1ccc(C[NH2+]CC[C@@H]2CC2(Cl)Cl)c(O)c1 ZINC000877648166 619414871 /nfs/dbraw/zinc/41/48/71/619414871.db2.gz WSZPIECHXRRNEZ-LLVKDONJSA-N 1 0 274.191 3.374 20 10 CGCDRO COc1cc(C)cc(C[N@H+](C)[C@@H](C)c2ccncc2)c1O ZINC000894450377 619543076 /nfs/dbraw/zinc/54/30/76/619543076.db2.gz ZXLZDLYRXNGBLB-ZDUSSCGKSA-N 1 0 286.375 3.297 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCc2ccc(C)nc2)c(O)c1 ZINC000185422117 625357136 /nfs/dbraw/zinc/35/71/36/625357136.db2.gz WSYIFCMPOOHGKI-CQSZACIVSA-N 1 0 270.376 3.297 20 10 CGCDRO COc1ccc(C[NH2+]C[C@H]2CCCC2(C)C)c(O)c1OC ZINC000894646720 619594297 /nfs/dbraw/zinc/59/42/97/619594297.db2.gz ISWSMFCWMUJVIA-CYBMUJFWSA-N 1 0 293.407 3.325 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@H]2c2ccncc2)c1O ZINC000894764914 619629985 /nfs/dbraw/zinc/62/99/85/619629985.db2.gz XDQHDKVBXAIAAT-INIZCTEOSA-N 1 0 298.386 3.441 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(OC)c(OC)c1O)[C@@H]1CC1(C)C ZINC000894955765 619686348 /nfs/dbraw/zinc/68/63/48/619686348.db2.gz RFTBWSVEHWMJBO-STQMWFEESA-N 1 0 293.407 3.324 20 10 CGCDRO C[C@H]1CN(Cc2c(O)cccc2Cl)C[C@@H](C2CC2)O1 ZINC000793220115 619706241 /nfs/dbraw/zinc/70/62/41/619706241.db2.gz RATWOMGDYVSWBN-BONVTDFDSA-N 1 0 281.783 3.045 20 10 CGCDRO COc1ccc(C[N@H+](C)CCC(C)(C)C)c(O)c1OC ZINC000895107885 619732519 /nfs/dbraw/zinc/73/25/19/619732519.db2.gz QHTDMTHQQSOXLV-UHFFFAOYSA-N 1 0 281.396 3.277 20 10 CGCDRO CC[C@H](COCC1CC1)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000895230914 619786990 /nfs/dbraw/zinc/78/69/90/619786990.db2.gz NXNAKKXZKPBFNS-OAHLLOKOSA-N 1 0 293.407 3.004 20 10 CGCDRO CC[C@@](C)([NH2+]Cc1cc(C)cc(OC)c1O)C1CC1 ZINC000895277744 619794488 /nfs/dbraw/zinc/79/44/88/619794488.db2.gz MLMBBTCTLOHCQZ-MRXNPFEDSA-N 1 0 263.381 3.378 20 10 CGCDRO CC[C@@](C)([NH2+]Cc1ccc(OC)c(OC)c1O)C1CC1 ZINC000895397046 619821261 /nfs/dbraw/zinc/82/12/61/619821261.db2.gz VOZWEYVRWHMMII-MRXNPFEDSA-N 1 0 279.380 3.078 20 10 CGCDRO CC[C@H]([NH2+]Cc1cc(C)cc(OC)c1O)[C@H]1CCCOC1 ZINC000895663752 619866500 /nfs/dbraw/zinc/86/65/00/619866500.db2.gz MWVFKUNCMMXRNS-ZFWWWQNUSA-N 1 0 293.407 3.004 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@@H]2CC3(CCC3)CO2)c1O ZINC000895789759 619886010 /nfs/dbraw/zinc/88/60/10/619886010.db2.gz PGYHZUQNVNFPDR-HNNXBMFYSA-N 1 0 275.392 3.003 20 10 CGCDRO COc1ccc(C[NH2+]CCCCC2CC2)c(O)c1OC ZINC000895834515 619894801 /nfs/dbraw/zinc/89/48/01/619894801.db2.gz TWCYPMPRXBNQRN-UHFFFAOYSA-N 1 0 279.380 3.079 20 10 CGCDRO Oc1cccc(Cl)c1C[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000895847313 619896391 /nfs/dbraw/zinc/89/63/91/619896391.db2.gz UFZLXEKFMISPTB-ABAIWWIYSA-N 1 0 281.783 3.047 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]CC1C[C@H]2CC[C@@H](C1)S2 ZINC000896262132 619983024 /nfs/dbraw/zinc/98/30/24/619983024.db2.gz QOJYAYXBOMJQEO-AGUYFDCRSA-N 1 0 277.433 3.464 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@H]2CCS[C@@H](C)C2)c1O ZINC000896953312 620112827 /nfs/dbraw/zinc/11/28/27/620112827.db2.gz XVRLMQBKKNFQPK-AAEUAGOBSA-N 1 0 281.421 3.083 20 10 CGCDRO C[C@@](O)(C[NH2+]Cc1cc(Cl)ccc1O)c1cccs1 ZINC000304328264 620198600 /nfs/dbraw/zinc/19/86/00/620198600.db2.gz URJPPGSZZOTOGQ-CQSZACIVSA-N 1 0 297.807 3.104 20 10 CGCDRO COc1cc(Cl)cc(C[N@H+]2CC(C)=C[C@@H](C)C2)c1O ZINC000797605275 620220293 /nfs/dbraw/zinc/22/02/93/620220293.db2.gz OQYUKACNFHRCEO-SNVBAGLBSA-N 1 0 281.783 3.452 20 10 CGCDRO COc1ccc(C[NH2+]CCc2cccs2)cc1C ZINC000035052643 620265644 /nfs/dbraw/zinc/26/56/44/620265644.db2.gz MLPZWDDDMVLHNV-UHFFFAOYSA-N 1 0 261.390 3.397 20 10 CGCDRO Cc1ccc(O)c(CNc2ccc([C@@H](C)[NH3+])cc2)c1 ZINC000841027688 620406524 /nfs/dbraw/zinc/40/65/24/620406524.db2.gz FJYOTSYLAJLRTD-GFCCVEGCSA-N 1 0 256.349 3.332 20 10 CGCDRO COc1ccc(C[NH2+]CCc2ccc(N)cc2)c(Cl)c1 ZINC000841035238 620416924 /nfs/dbraw/zinc/41/69/24/620416924.db2.gz GRPXBLIBRSMDRI-UHFFFAOYSA-N 1 0 290.794 3.263 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H]2CCOC23CCCCC3)c1 ZINC000897728626 620421634 /nfs/dbraw/zinc/42/16/34/620421634.db2.gz JQWIPBPELCYEJJ-INIZCTEOSA-N 1 0 275.392 3.282 20 10 CGCDRO COc1ccc(O)c(C[NH2+]CC[C@H]2CCC(F)(F)C2)c1 ZINC000898016889 620467026 /nfs/dbraw/zinc/46/70/26/620467026.db2.gz DSKPZLVEERKUGJ-LLVKDONJSA-N 1 0 285.334 3.316 20 10 CGCDRO CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)c(O)c1 ZINC000898071048 620477100 /nfs/dbraw/zinc/47/71/00/620477100.db2.gz KLJAFAZNVNVISO-BETUJISGSA-N 1 0 261.365 3.023 20 10 CGCDRO Oc1c(C[NH2+][C@@H]2COC[C@H]2C2CC2)ccc2ccccc21 ZINC000898380407 620515131 /nfs/dbraw/zinc/51/51/31/620515131.db2.gz NYCHJNAGLOTEIS-DLBZAZTESA-N 1 0 283.371 3.060 20 10 CGCDRO C[C@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)c1cc(F)ccc1O ZINC000866499067 620536352 /nfs/dbraw/zinc/53/63/52/620536352.db2.gz DUXIWIPAYSQCTF-WQGWLQIFSA-N 1 0 263.234 3.133 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2C[C@H]2C(F)(F)F)c1 ZINC000926949745 620554417 /nfs/dbraw/zinc/55/44/17/620554417.db2.gz NQRURHYBTJLNTJ-VDDIYKPWSA-N 1 0 289.297 3.250 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000898512160 620593824 /nfs/dbraw/zinc/59/38/24/620593824.db2.gz IINYIGTWHHMGBR-CVEARBPZSA-N 1 0 289.419 3.339 20 10 CGCDRO C[C@@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccc2ccccc2c1O ZINC000902469022 621340766 /nfs/dbraw/zinc/34/07/66/621340766.db2.gz NPMXSNJJUKNROX-VGOVLVCLSA-N 1 0 282.387 3.089 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]Cc2cc(N(C)C)ccn2)c(O)c1C ZINC000903198884 621622742 /nfs/dbraw/zinc/62/27/42/621622742.db2.gz QWHUIIUICWHGGH-AWEZNQCLSA-N 1 0 299.418 3.321 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCN(C)[C@H]2C)c1O ZINC000903301923 621668395 /nfs/dbraw/zinc/66/83/95/621668395.db2.gz UTHDOSAKSISIJP-MJVIPROJSA-N 1 0 282.815 3.097 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1CCN1C)c1ccc(N2CCCCC2)cc1 ZINC000903322535 621676071 /nfs/dbraw/zinc/67/60/71/621676071.db2.gz ITWVTBYULGIJLH-QAPCUYQASA-N 1 0 287.451 3.032 20 10 CGCDRO CC[C@H]([NH2+]C[C@]1(OC(C)C)CCOC1)c1ccccc1O ZINC000903356783 621714038 /nfs/dbraw/zinc/71/40/38/621714038.db2.gz HETALYCSVYDJNX-DOTOQJQBSA-N 1 0 293.407 3.017 20 10 CGCDRO CC[C@H]([NH2+]CC[C@@H](O)C1CC1)c1cc(Cl)ccc1O ZINC000903406196 621729983 /nfs/dbraw/zinc/72/99/83/621729983.db2.gz HIFBYHMPDRUOOI-UONOGXRCSA-N 1 0 283.799 3.247 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]CCCc1ccccc1 ZINC000083432642 625518637 /nfs/dbraw/zinc/51/86/37/625518637.db2.gz LISQPRBIJKHRGF-UHFFFAOYSA-N 1 0 259.324 3.254 20 10 CGCDRO Cc1cc(N)cc(C[NH2+]Cc2ccc3c(c2)CCCO3)c1 ZINC000904354118 621911278 /nfs/dbraw/zinc/91/12/78/621911278.db2.gz AGLJCNNLZFRSKA-UHFFFAOYSA-N 1 0 282.387 3.192 20 10 CGCDRO COc1cccc(O)c1C[N@H+](C)[C@@H]1CCC[C@H](C)C1 ZINC000768262376 625532868 /nfs/dbraw/zinc/53/28/68/625532868.db2.gz JJYDEGSLHNRGSB-QWHCGFSZSA-N 1 0 263.381 3.411 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H]1CCCS1)c1ccccc1O ZINC000149724568 622375615 /nfs/dbraw/zinc/37/56/15/622375615.db2.gz OQBUFTRHZCCMIA-WCQYABFASA-N 1 0 251.395 3.329 20 10 CGCDRO Oc1ccc2ccncc2c1C[NH+]1C2CCC1CC2 ZINC000912789033 622698707 /nfs/dbraw/zinc/69/87/07/622698707.db2.gz YPWWQLOIJUDTRE-UHFFFAOYSA-N 1 0 254.333 3.067 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+](C)[C@@H]2CCCc3c2cnn3C)c1 ZINC000164539925 622838101 /nfs/dbraw/zinc/83/81/01/622838101.db2.gz ZNYYLVQFOAFTOP-MRXNPFEDSA-N 1 0 299.418 3.252 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+][C@@H](CO)c2ccsc2)c1O ZINC000770669067 625598730 /nfs/dbraw/zinc/59/87/30/625598730.db2.gz RGCFRHXBLXWDJQ-ZDUSSCGKSA-N 1 0 297.807 3.239 20 10 CGCDRO CC[C@@H]([NH2+]CCOCCC(C)C)c1ccccc1O ZINC000045093855 622843547 /nfs/dbraw/zinc/84/35/47/622843547.db2.gz NDUZASZYSIBHKS-OAHLLOKOSA-N 1 0 265.397 3.496 20 10 CGCDRO C[C@H]([NH2+]Cc1cc(F)ccc1O)c1cccs1 ZINC000226582599 622984307 /nfs/dbraw/zinc/98/43/07/622984307.db2.gz JWOQFRNKHDSMJO-VIFPVBQESA-N 1 0 251.326 3.444 20 10 CGCDRO CSCC[C@H](C)[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000168787433 623014552 /nfs/dbraw/zinc/01/45/52/623014552.db2.gz AJGDDZRMTUMAIP-RYUDHWBXSA-N 1 0 253.411 3.493 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]CC[C@H]1CCCCO1 ZINC000227340287 623016617 /nfs/dbraw/zinc/01/66/17/623016617.db2.gz XTWOOLCPPLFWPH-CYBMUJFWSA-N 1 0 269.772 3.094 20 10 CGCDRO Oc1cc2c(cc1C[NH2+]CCCC1CCCC1)OCO2 ZINC000227435804 623019741 /nfs/dbraw/zinc/01/97/41/623019741.db2.gz GEUUGYHQJFRZQJ-UHFFFAOYSA-N 1 0 277.364 3.181 20 10 CGCDRO CC[C@H]1C[N@H+](Cc2cc(C)c(C)cc2O)CCS1 ZINC000173510432 623329102 /nfs/dbraw/zinc/32/91/02/623329102.db2.gz SIPIDEOIYBINDT-AWEZNQCLSA-N 1 0 265.422 3.336 20 10 CGCDRO CCC[N@H+](C)Cc1c(O)ccc2ccc(OC)cc21 ZINC000063730674 623350847 /nfs/dbraw/zinc/35/08/47/623350847.db2.gz TZQCWARIGRUWQF-UHFFFAOYSA-N 1 0 259.349 3.396 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]C[C@H]1CC=CCC1 ZINC000083552231 625648758 /nfs/dbraw/zinc/64/87/58/625648758.db2.gz JFUOLBJBSVHQMU-NSHDSACASA-N 1 0 251.757 3.492 20 10 CGCDRO C[C@@H](CCO)[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000151906250 623582983 /nfs/dbraw/zinc/58/29/83/623582983.db2.gz NGDMMQYRDNVWEH-GJZGRUSLSA-N 1 0 276.424 3.098 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)cc1F ZINC000152993066 623758863 /nfs/dbraw/zinc/75/88/63/623758863.db2.gz JRFJWDJZIGSXOB-UNEWFSDZSA-N 1 0 292.398 3.081 20 10 CGCDRO c1cc(C[NH2+][C@H](C2CC2)C2CCC2)cc2c1OCC2 ZINC000324704861 624222086 /nfs/dbraw/zinc/22/20/86/624222086.db2.gz VFSWNJJVGAVKLZ-KRWDZBQOSA-N 1 0 257.377 3.290 20 10 CGCDRO Cc1ccc(OCC[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC000179873714 624691487 /nfs/dbraw/zinc/69/14/87/624691487.db2.gz LKUGULLXHDMIDS-AWEZNQCLSA-N 1 0 271.360 3.430 20 10 CGCDRO C[C@@H]([NH2+]CCn1cccn1)c1ccc(N2CCCCC2)cc1 ZINC000180430926 624745962 /nfs/dbraw/zinc/74/59/62/624745962.db2.gz WKGLJBRDZDCJBI-MRXNPFEDSA-N 1 0 298.434 3.224 20 10 CGCDRO COc1ccc(O)c(C[N@H+](C)[C@@H]2C[C@](C)(OC)C2(C)C)c1 ZINC000180672720 624765868 /nfs/dbraw/zinc/76/58/68/624765868.db2.gz LFAKTAUXUDXLKU-WBVHZDCISA-N 1 0 293.407 3.036 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C2C[C@@H](C)O[C@H](C)C2)c1 ZINC000182336194 624985916 /nfs/dbraw/zinc/98/59/16/624985916.db2.gz USFVGJUQECMSND-UTUOFQBUSA-N 1 0 279.380 3.007 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C1CCCC1 ZINC000070306146 624996388 /nfs/dbraw/zinc/99/63/88/624996388.db2.gz RDMYOANLJRVWMJ-OAHLLOKOSA-N 1 0 288.435 3.192 20 10 CGCDRO OC1CCN(c2ccc(C[NH2+]C3CCCCC3)cc2)CC1 ZINC000076275546 625209125 /nfs/dbraw/zinc/20/91/25/625209125.db2.gz XMLMYNSCVINILW-UHFFFAOYSA-N 1 0 288.435 3.070 20 10 CGCDRO c1ccc2c(c1)OC[C@@H]2[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921691243 625843496 /nfs/dbraw/zinc/84/34/96/625843496.db2.gz VATJOMMYSPGFOU-INIZCTEOSA-N 1 0 281.355 3.235 20 10 CGCDRO c1cc2c(cc1C[NH2+][C@H]1CCOC3(CCC3)C1)CCCO2 ZINC000921859668 625912972 /nfs/dbraw/zinc/91/29/72/625912972.db2.gz YYGCQRPPIIYZAR-INIZCTEOSA-N 1 0 287.403 3.203 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1ccns1 ZINC000922298421 625994296 /nfs/dbraw/zinc/99/42/96/625994296.db2.gz RLPBEBSCVDLKAQ-NSHDSACASA-N 1 0 274.389 3.319 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCCOC(C)C)c1 ZINC000186529646 626006094 /nfs/dbraw/zinc/00/60/94/626006094.db2.gz ZEAAULCTVRKXNJ-ZDUSSCGKSA-N 1 0 281.396 3.257 20 10 CGCDRO CCOc1ccc(C[NH2+]C(C)(C)/C=C\Cl)c(O)c1 ZINC000922648521 626025453 /nfs/dbraw/zinc/02/54/53/626025453.db2.gz MSFBSYKVUCOVKN-FPLPWBNLSA-N 1 0 269.772 3.412 20 10 CGCDRO CC(C)[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1cnn(C)c1 ZINC000922890801 626070048 /nfs/dbraw/zinc/07/00/48/626070048.db2.gz PCIFDEWZOWRLER-SFHVURJKSA-N 1 0 299.418 3.232 20 10 CGCDRO COc1ccc(N(C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1F ZINC000923316826 626145153 /nfs/dbraw/zinc/14/51/53/626145153.db2.gz NQBZOIRJOIJEEZ-AGUYFDCRSA-N 1 0 292.398 3.191 20 10 CGCDRO CC[C@H]([NH2+]Cc1cnc(C)o1)c1ccc(C)cc1O ZINC000840794355 626242560 /nfs/dbraw/zinc/24/25/60/626242560.db2.gz IPHTZOJGPXVAPC-AWEZNQCLSA-N 1 0 260.337 3.238 20 10 CGCDRO CCOC[C@@H]1CCCC[N@@H+]1Cc1ccc(OCC)cc1O ZINC000839170911 626325131 /nfs/dbraw/zinc/32/51/31/626325131.db2.gz VEDCKTBAHGALRX-HNNXBMFYSA-N 1 0 293.407 3.182 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@]2(C)CC=CCC2)c1 ZINC000839190805 626328054 /nfs/dbraw/zinc/32/80/54/626328054.db2.gz CGGNIEZVHFMFHQ-MRXNPFEDSA-N 1 0 261.365 3.379 20 10 CGCDRO [O-]c1ccc(Cl)c(F)c1C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000839190173 626328078 /nfs/dbraw/zinc/32/80/78/626328078.db2.gz DLQZRGBLDHHDLJ-VDDIYKPWSA-N 1 0 269.747 3.463 20 10 CGCDRO CC(C)(C)O[C@H]1C[C@@H]([NH2+]Cc2ccccc2O)C1(C)C ZINC000839191846 626328542 /nfs/dbraw/zinc/32/85/42/626328542.db2.gz KSPBTUQUYWXLEI-CABCVRRESA-N 1 0 277.408 3.464 20 10 CGCDRO CCOc1ccc(C[NH2+][C@@H]2C[C@H]2CC(C)C)c(O)c1 ZINC000839163424 626330030 /nfs/dbraw/zinc/33/00/30/626330030.db2.gz SZSCNUXOCAUTOV-UKRRQHHQSA-N 1 0 263.381 3.315 20 10 CGCDRO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2ccccc2O)c1 ZINC000020187541 634501705 /nfs/dbraw/zinc/50/17/05/634501705.db2.gz ZCSQURMQAZTONN-GFCCVEGCSA-N 1 0 284.359 3.201 20 10 CGCDRO Cc1cc(C[NH2+][C@H]2CCOC2)c(C)n1-c1cccc(C)c1 ZINC000752098802 626419109 /nfs/dbraw/zinc/41/91/09/626419109.db2.gz BYUMMRSWDGPSIM-KRWDZBQOSA-N 1 0 284.403 3.281 20 10 CGCDRO CCCN(CCC)c1ccc(C[NH2+]CCN2CCC2)cc1 ZINC000752109188 626419116 /nfs/dbraw/zinc/41/91/16/626419116.db2.gz YHRNTFNCQVEZLW-UHFFFAOYSA-N 1 0 289.467 3.108 20 10 CGCDRO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2ccccc2O)c1 ZINC000020187543 634502354 /nfs/dbraw/zinc/50/23/54/634502354.db2.gz ZCSQURMQAZTONN-LBPRGKRZSA-N 1 0 284.359 3.201 20 10 CGCDRO COCC[C@H](Cc1ccco1)[NH2+]Cc1cccc(C)c1O ZINC000753571600 626455808 /nfs/dbraw/zinc/45/58/08/626455808.db2.gz XQWHAQNYBIYLJZ-OAHLLOKOSA-N 1 0 289.375 3.031 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@H]2CS[C@@H](C(C)(C)C)C2)c1 ZINC000754119469 626558525 /nfs/dbraw/zinc/55/85/25/626558525.db2.gz CIXOCOAZQHZYFD-IUODEOHRSA-N 1 0 295.448 3.411 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H]2C(C)C)c1O ZINC000754723426 626584734 /nfs/dbraw/zinc/58/47/34/626584734.db2.gz SDJUPWSTPFPADP-CQSZACIVSA-N 1 0 263.381 3.330 20 10 CGCDRO CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756398283 626701471 /nfs/dbraw/zinc/70/14/71/626701471.db2.gz UIBCHLMAXKHVFU-LLVKDONJSA-N 1 0 286.366 3.051 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccccc1CO)c1cc(Cl)ccc1O ZINC000756459392 626707208 /nfs/dbraw/zinc/70/72/08/626707208.db2.gz NWLQZBIRNFQNSG-LLVKDONJSA-N 1 0 291.778 3.389 20 10 CGCDRO CCN(CC[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)C(C)C ZINC000756527561 626712384 /nfs/dbraw/zinc/71/23/84/626712384.db2.gz ZVXLZVVTWBKQTC-OCCSQVGLSA-N 1 0 294.414 3.400 20 10 CGCDRO CC[C@H](C)[C@H](O)C[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756575267 626716808 /nfs/dbraw/zinc/71/68/08/626716808.db2.gz OJNSDHKYRZLDMV-BQSGVUBFSA-N 1 0 281.371 3.076 20 10 CGCDRO CCC[C@@](C)(O)C[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000756575628 626717037 /nfs/dbraw/zinc/71/70/37/626717037.db2.gz IHKHQYFQWUGEFH-FZKQIMNGSA-N 1 0 291.435 3.473 20 10 CGCDRO CC(C)[C@](C)(O)C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756576271 626717445 /nfs/dbraw/zinc/71/74/45/626717445.db2.gz LWNIDSUTIKXKMT-RSAASHCRSA-N 1 0 281.371 3.076 20 10 CGCDRO CSC[C@H](C)[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756585502 626718618 /nfs/dbraw/zinc/71/86/18/626718618.db2.gz KORBRGDJGWYTSV-WCABBAIRSA-N 1 0 269.385 3.421 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCN(C)[C@H](C)C1)c1cc(Cl)ccc1O ZINC000756608889 626720362 /nfs/dbraw/zinc/72/03/62/626720362.db2.gz DYPUQCGZAGXFTL-NTZNESFSSA-N 1 0 282.815 3.179 20 10 CGCDRO CC(C)[C@H](CCO)[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000756609974 626720407 /nfs/dbraw/zinc/72/04/07/626720407.db2.gz PAJGCUCBPKFLDW-DYVFJYSZSA-N 1 0 291.435 3.329 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCN2CCC[C@@H]2C)c(O)c1C ZINC000756616931 626720772 /nfs/dbraw/zinc/72/07/72/626720772.db2.gz MCQPZEYTTMBSEU-ZFWWWQNUSA-N 1 0 276.424 3.144 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)Cc2ccncc2)c1 ZINC000756634125 626721759 /nfs/dbraw/zinc/72/17/59/626721759.db2.gz LWGQUWQSOXQYDT-CHWSQXEVSA-N 1 0 286.375 3.078 20 10 CGCDRO CO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(C)c(C)c2O)C1(C)C ZINC000756649316 626724583 /nfs/dbraw/zinc/72/45/83/626724583.db2.gz OQENRLJQKMYCMB-VHDGCEQUSA-N 1 0 277.408 3.473 20 10 CGCDRO C[C@H](O)CC(C)(C)C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756732566 626728063 /nfs/dbraw/zinc/72/80/63/626728063.db2.gz JEIUAVGPUUMJQU-MDZLAQPJSA-N 1 0 295.398 3.466 20 10 CGCDRO Cc1ncc(CC[NH2+][C@@H](C)c2cc(C)ccc2O)s1 ZINC000756757501 626729073 /nfs/dbraw/zinc/72/90/73/626729073.db2.gz BWIYHVLUTSQBRP-NSHDSACASA-N 1 0 276.405 3.359 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CC2([C@@H](O)C(C)C)CC2)c(O)c1C ZINC000756791228 626732460 /nfs/dbraw/zinc/73/24/60/626732460.db2.gz QOHQZAIVNQGCOX-YOEHRIQHSA-N 1 0 291.435 3.457 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCCOC2)c(O)c1C ZINC000757636895 626795827 /nfs/dbraw/zinc/79/58/27/626795827.db2.gz KGLNSUCJEQIMOA-SOUVJXGZSA-N 1 0 277.408 3.475 20 10 CGCDRO C[N@H+](Cc1ccccn1)Cc1cc(Cl)ccc1O ZINC000757890026 626812347 /nfs/dbraw/zinc/81/23/47/626812347.db2.gz OGWNBOCAGLWOKG-UHFFFAOYSA-N 1 0 262.740 3.073 20 10 CGCDRO C[C@H]1C[C@@H]([NH2+]C2CC(F)(F)C2)c2c1c(F)ccc2O ZINC000760039994 626937120 /nfs/dbraw/zinc/93/71/20/626937120.db2.gz RMTHUTYHBHEBKT-OIBJUYFYSA-N 1 0 271.282 3.467 20 10 CGCDRO Cc1ncc([C@@H](C)[NH2+]Cc2ccc3c(c2)CCO3)s1 ZINC000761433879 627040890 /nfs/dbraw/zinc/04/08/90/627040890.db2.gz FSYVZIXUYBUCLZ-SNVBAGLBSA-N 1 0 274.389 3.237 20 10 CGCDRO C[N@H+](Cc1cc(C(C)(C)C)cc(O)c1O)[C@H]1CCSC1 ZINC000125053034 634559981 /nfs/dbraw/zinc/55/99/81/634559981.db2.gz WGZWZNNQJBVQIA-ZDUSSCGKSA-N 1 0 295.448 3.333 20 10 CGCDRO CO[C@H](C)[C@H](C)[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000765871228 627276538 /nfs/dbraw/zinc/27/65/38/627276538.db2.gz CWZHLUTVXIXOJK-JKSUJKDBSA-N 1 0 290.451 3.436 20 10 CGCDRO CC[C@H]([NH2+]C1CCC(C)(O)CC1)c1ccc(N(C)C)cc1 ZINC000766481107 627336285 /nfs/dbraw/zinc/33/62/85/627336285.db2.gz ZZEUEQJAUQNLPD-NXYGQSRBSA-N 1 0 290.451 3.487 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H](C3CC3)C2)c1O ZINC000808230564 627385099 /nfs/dbraw/zinc/38/50/99/627385099.db2.gz KZFAURIGKKTBAB-CQSZACIVSA-N 1 0 275.392 3.331 20 10 CGCDRO C[C@@]1(C[NH2+]Cc2c(O)cccc2Cl)CCO[C@H]1C1CC1 ZINC000767195212 627388997 /nfs/dbraw/zinc/38/89/97/627388997.db2.gz JTOTWULZBPQVKB-HOTGVXAUSA-N 1 0 295.810 3.340 20 10 CGCDRO CCOc1ccc(C[N@H+](C)[C@H](C)C(C)C)c(O)c1 ZINC000768269326 627471563 /nfs/dbraw/zinc/47/15/63/627471563.db2.gz MRRYISQFYINRMS-GFCCVEGCSA-N 1 0 251.370 3.267 20 10 CGCDRO CC(C)[C@@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000768269492 627471709 /nfs/dbraw/zinc/47/17/09/627471709.db2.gz PNQSTBUPHNMQEU-CQSZACIVSA-N 1 0 294.414 3.139 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2c2ccccn2)cc1 ZINC000768355338 627475700 /nfs/dbraw/zinc/47/57/00/627475700.db2.gz NKIRLWADOJXCSJ-GOSISDBHSA-N 1 0 281.403 3.485 20 10 CGCDRO COc1cc(C[N@@H+]2CCC[C@@H]2c2ccccn2)c(O)cc1C ZINC000768441562 627480390 /nfs/dbraw/zinc/48/03/90/627480390.db2.gz DOWCHAXUMZGYFT-MRXNPFEDSA-N 1 0 298.386 3.441 20 10 CGCDRO C[C@H]1C[N@H+](Cc2cc3c(cc2O)CCCC3)CC(C)(C)O1 ZINC000768444467 627480689 /nfs/dbraw/zinc/48/06/89/627480689.db2.gz YKJFYLMJHKCWIH-ZDUSSCGKSA-N 1 0 289.419 3.270 20 10 CGCDRO COc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](C)C2)c(O)cc1C ZINC000768465012 627481222 /nfs/dbraw/zinc/48/12/22/627481222.db2.gz JAJTUVAKTDWWJI-YPMHNXCESA-N 1 0 263.381 3.187 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C[C@H]2CCCOC2)C2CC2)cc1 ZINC000768536699 627485178 /nfs/dbraw/zinc/48/51/78/627485178.db2.gz VQJSETRHADARMH-MRXNPFEDSA-N 1 0 288.435 3.144 20 10 CGCDRO CCOC(=O)C[N@@H+](Cc1cc(C)c(C)cc1O)CC(C)C ZINC000768754916 627496390 /nfs/dbraw/zinc/49/63/90/627496390.db2.gz JYRHGHKLDZUEEJ-UHFFFAOYSA-N 1 0 293.407 3.030 20 10 CGCDRO Cc1ccc(O)c(C[N@H+](C)C[C@@H]2OCCc3ccccc32)c1 ZINC000769025610 627518267 /nfs/dbraw/zinc/51/82/67/627518267.db2.gz XOEDOJCGLLSNID-IBGZPJMESA-N 1 0 297.398 3.446 20 10 CGCDRO Oc1cccc(Cl)c1C[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000769314371 627539901 /nfs/dbraw/zinc/53/99/01/627539901.db2.gz YDJAKTXJYCEJIN-GFCCVEGCSA-N 1 0 291.782 3.079 20 10 CGCDRO CO[C@H](C)C[N@H+](Cc1cc(C)c(C)cc1O)C(C)C ZINC000769475299 627558008 /nfs/dbraw/zinc/55/80/08/627558008.db2.gz VYKJJUJBFMLOQM-CQSZACIVSA-N 1 0 265.397 3.254 20 10 CGCDRO CCOc1ccc(O)c(C[N@H+](C[C@H](C)OC)C(C)C)c1 ZINC000769476347 627558443 /nfs/dbraw/zinc/55/84/43/627558443.db2.gz YVLDWRJBZBIZPO-ZDUSSCGKSA-N 1 0 281.396 3.036 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@H](C)c2cnccc2C)c1 ZINC000770750987 627642317 /nfs/dbraw/zinc/64/23/17/627642317.db2.gz QPPDJXVZGYJIPZ-CYBMUJFWSA-N 1 0 286.375 3.345 20 10 CGCDRO CC[C@@H](O)CCC[NH2+][C@@H](CC)c1ccc(N(C)C)cc1 ZINC000773016703 627843184 /nfs/dbraw/zinc/84/31/84/627843184.db2.gz QOXRHSAKDIBIIK-SJORKVTESA-N 1 0 278.440 3.344 20 10 CGCDRO CC[C@H]([NH2+]Cc1cc(C)ncn1)c1ccc(N(C)C)cc1 ZINC000773105671 627856829 /nfs/dbraw/zinc/85/68/29/627856829.db2.gz ILGFIRRQCFDQQS-KRWDZBQOSA-N 1 0 284.407 3.092 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCC3(C2)CCOCC3)cc1 ZINC000773752440 627910666 /nfs/dbraw/zinc/91/06/66/627910666.db2.gz BJBFZWZXTBYDCH-UHFFFAOYSA-N 1 0 288.435 3.145 20 10 CGCDRO CCN(C)c1ccc(C[NH+]2CCC3(CCOC3)CC2)cc1 ZINC000773818183 627916835 /nfs/dbraw/zinc/91/68/35/627916835.db2.gz NUGNTKQKCXNKKG-UHFFFAOYSA-N 1 0 288.435 3.145 20 10 CGCDRO CCC[C@@]1(CO)CCC[N@@H+]1Cc1ccc(N(C)CC)cc1 ZINC000773894297 627926361 /nfs/dbraw/zinc/92/63/61/627926361.db2.gz IZILXQBWRUFEDR-SFHVURJKSA-N 1 0 290.451 3.270 20 10 CGCDRO CCC[C@@]1(COC)CCC[N@@H+]1Cc1cc(C)ccc1O ZINC000775205222 628071671 /nfs/dbraw/zinc/07/16/71/628071671.db2.gz REUWKBRPEOVJEF-KRWDZBQOSA-N 1 0 277.408 3.482 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc2c[nH]nc2c1)c1ccc(N(C)C)cc1 ZINC000775365719 628086428 /nfs/dbraw/zinc/08/64/28/628086428.db2.gz WFWRFXFKBZFZSX-ZDUSSCGKSA-N 1 0 294.402 3.480 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H](O)CC(C)C)c1cc(Cl)ccc1O ZINC000775498251 628101358 /nfs/dbraw/zinc/10/13/58/628101358.db2.gz ZNSDACMJUQAJMU-GXTWGEPZSA-N 1 0 285.815 3.493 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](CO)c1ccccc1C)c1ccccc1O ZINC000775514076 628102548 /nfs/dbraw/zinc/10/25/48/628102548.db2.gz VFQGORLVDGSRLJ-SJORKVTESA-N 1 0 285.387 3.475 20 10 CGCDRO CC[C@H](C[C@@H](C)CO)[NH2+][C@H](CC)c1ccccc1O ZINC000775512393 628102880 /nfs/dbraw/zinc/10/28/80/628102880.db2.gz KGXQFBGMQVVAGB-UMVBOHGHSA-N 1 0 265.397 3.230 20 10 CGCDRO CC[C@H]([NH2+]CCc1nc(C)no1)c1cc(Cl)ccc1O ZINC000775519891 628103163 /nfs/dbraw/zinc/10/31/63/628103163.db2.gz TWTWCLHSUIWSBQ-LBPRGKRZSA-N 1 0 295.770 3.020 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1[C@@H](C)[C@H](OC)C1(C)C)c1ccccc1O ZINC000775532836 628103809 /nfs/dbraw/zinc/10/38/09/628103809.db2.gz ZKDQUMPHHGRLMH-JMGFVUJMSA-N 1 0 277.408 3.492 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H]2c2ccccn2)c1 ZINC000775651312 628120071 /nfs/dbraw/zinc/12/00/71/628120071.db2.gz MKPUDNQETRORIZ-INIZCTEOSA-N 1 0 284.359 3.133 20 10 CGCDRO COc1ccc(O)c(C[N@H+](Cc2ccccn2)C(C)C)c1 ZINC000775657962 628120880 /nfs/dbraw/zinc/12/08/80/628120880.db2.gz IWFGOWWMJGDCMD-UHFFFAOYSA-N 1 0 286.375 3.206 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2C[C@H](C)CCC[C@H]2C)c1 ZINC000775710011 628128720 /nfs/dbraw/zinc/12/87/20/628128720.db2.gz ZVKQBWLNKOXGDN-CHWSQXEVSA-N 1 0 263.381 3.411 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@H]2CC)c(O)c1 ZINC000775997559 628156537 /nfs/dbraw/zinc/15/65/37/628156537.db2.gz BEHIRCIVPCVMBX-IUODEOHRSA-N 1 0 263.381 3.411 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](C)[C@H]2CC)c1 ZINC000776000499 628156937 /nfs/dbraw/zinc/15/69/37/628156937.db2.gz LKRTVXRCXWCOLI-SWLSCSKDSA-N 1 0 263.381 3.411 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H](C)Cc2cccc(O)c2)c1O ZINC000776174985 628176628 /nfs/dbraw/zinc/17/66/28/628176628.db2.gz UDSKBOIOZQLTDA-ZDUSSCGKSA-N 1 0 271.360 3.127 20 10 CGCDRO Cc1cc(Br)cc(C[NH2+]C2(C3CC3)CC2)c1O ZINC000776231038 628183053 /nfs/dbraw/zinc/18/30/53/628183053.db2.gz FQDLKUWWWGZJFK-UHFFFAOYSA-N 1 0 296.208 3.495 20 10 CGCDRO CC(C)[C@H]1C[N@H+](Cc2c(O)ccc3ccccc32)CCO1 ZINC000777969855 628317261 /nfs/dbraw/zinc/31/72/61/628317261.db2.gz UPFCLBBBUKUPIQ-GOSISDBHSA-N 1 0 285.387 3.402 20 10 CGCDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2cc(F)ccc2O)C1(C)C ZINC000779027309 628383844 /nfs/dbraw/zinc/38/38/44/628383844.db2.gz QNBVRGMDAHESFP-CABCVRRESA-N 1 0 281.371 3.167 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCn3ccnc3C2)cc1 ZINC000779066357 628386640 /nfs/dbraw/zinc/38/66/40/628386640.db2.gz QRSMZYWMWXQRRT-GDBMZVCRSA-N 1 0 298.434 3.005 20 10 CGCDRO COCC[C@H]([NH2+]Cc1cc(C)ccc1O)c1ccco1 ZINC000779993392 628449819 /nfs/dbraw/zinc/44/98/19/628449819.db2.gz GSGGOTLPHNVVDV-AWEZNQCLSA-N 1 0 275.348 3.161 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCCSCC2)cc1 ZINC000780893814 628522707 /nfs/dbraw/zinc/52/27/07/628522707.db2.gz TZEAKAFVTXAURI-UHFFFAOYSA-N 1 0 278.465 3.472 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@]3(CC[C@@H](C)C3)C2)c1 ZINC000781929924 628606389 /nfs/dbraw/zinc/60/63/89/628606389.db2.gz TVXAPYKKSVXKHA-DYVFJYSZSA-N 1 0 275.392 3.413 20 10 CGCDRO COc1ccc(N2CCC([NH2+][C@@H]3CC[C@H]3C)CC2)cc1 ZINC000783236903 628692306 /nfs/dbraw/zinc/69/23/06/628692306.db2.gz KTHOAYVLOIJSHK-CXAGYDPISA-N 1 0 274.408 3.052 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H]2CCC=CO2)cc1 ZINC000783310979 628702222 /nfs/dbraw/zinc/70/22/22/628702222.db2.gz RZSLLCBAQDRFKW-PBHICJAKSA-N 1 0 274.408 3.486 20 10 CGCDRO C[C@@H]([NH2+]C[C@H](Cc1ccccc1)N(C)C)c1ccccc1O ZINC000783490327 628717436 /nfs/dbraw/zinc/71/74/36/628717436.db2.gz JGMYWDAFZNYMBJ-WBVHZDCISA-N 1 0 298.430 3.216 20 10 CGCDRO C[C@H]([NH2+][C@@H](CO)[C@@H](C)c1ccccc1)c1ccccc1O ZINC000783522946 628721587 /nfs/dbraw/zinc/72/15/87/628721587.db2.gz SSSRBUZBKNAXMJ-ZQIUZPCESA-N 1 0 285.387 3.207 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)CCCC3)[C@H](C)[C@H](C)O1 ZINC000783537714 628723005 /nfs/dbraw/zinc/72/30/05/628723005.db2.gz BZUZGKUUEIKAGT-MCIONIFRSA-N 1 0 289.419 3.269 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2Cc3ccccc3OC[C@H]2C)c1 ZINC000783598822 628730260 /nfs/dbraw/zinc/73/02/60/628730260.db2.gz ZFFLBDJSKYBKFZ-CYBMUJFWSA-N 1 0 299.370 3.184 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CC[C@H]2CCOC2)cc1F ZINC000784659988 628827768 /nfs/dbraw/zinc/82/77/68/628827768.db2.gz YVHMUHXUTSOWEW-AWEZNQCLSA-N 1 0 294.414 3.188 20 10 CGCDRO c1ccc2c(c1)CC[C@@H]([NH2+]Cc1ccc3c(c1)CCO3)CO2 ZINC000786820391 628965317 /nfs/dbraw/zinc/96/53/17/628965317.db2.gz FWIIXZXFLNBDHJ-QGZVFWFLSA-N 1 0 295.382 3.105 20 10 CGCDRO CC(C)[C@H]([NH2+]Cc1ccccc1O)[C@@H](O)c1ccccc1 ZINC000788541901 629063747 /nfs/dbraw/zinc/06/37/47/629063747.db2.gz YTNFQIOTVCXUEJ-ROUUACIJSA-N 1 0 285.387 3.240 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](O)c2ccsc2)c(O)c1 ZINC000788601445 629068299 /nfs/dbraw/zinc/06/82/99/629068299.db2.gz JPMNHOZEUGWFFS-SWLSCSKDSA-N 1 0 291.416 3.455 20 10 CGCDRO Cc1ccc([C@H](O)C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)o1 ZINC000788603964 629068592 /nfs/dbraw/zinc/06/85/92/629068592.db2.gz ROCJGVMPRSKEEU-DZGCQCFKSA-N 1 0 289.375 3.295 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2N(C)CCCC2(C)C)cc1C ZINC000790485838 629213197 /nfs/dbraw/zinc/21/31/97/629213197.db2.gz OUGOBJVVFZRNOH-KRWDZBQOSA-N 1 0 290.451 3.219 20 10 CGCDRO C[C@@H]1CCC[N@@H+]1Cc1cc(F)c(N(C)C)cc1F ZINC000862243014 629330454 /nfs/dbraw/zinc/33/04/54/629330454.db2.gz WEXWPRCYURZVBD-SNVBAGLBSA-N 1 0 254.324 3.015 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccnc(F)c1C ZINC000862279486 629337420 /nfs/dbraw/zinc/33/74/20/629337420.db2.gz QNJLKGUIWITTFH-UHFFFAOYSA-N 1 0 287.382 3.193 20 10 CGCDRO Oc1cccc(Br)c1C[NH+]1CC(CC2CC2)C1 ZINC000862425065 629370572 /nfs/dbraw/zinc/37/05/72/629370572.db2.gz LSXFEZKULSLWAK-UHFFFAOYSA-N 1 0 296.208 3.387 20 10 CGCDRO Cc1cccc(C[NH+]2CC(Cc3cccs3)C2)c1O ZINC000862538743 629394597 /nfs/dbraw/zinc/39/45/97/629394597.db2.gz UUYWKMBBANPKPZ-UHFFFAOYSA-N 1 0 273.401 3.437 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](c3ccc(O)cc3)C2)cc1 ZINC000862540382 629396152 /nfs/dbraw/zinc/39/61/52/629396152.db2.gz DRTDOQWDPAUFJM-KRWDZBQOSA-N 1 0 296.414 3.448 20 10 CGCDRO Cc1cc(Cl)cc(C[NH+]2CC(C(C)C)C2)c1O ZINC000793190072 629425741 /nfs/dbraw/zinc/42/57/41/629425741.db2.gz RKRMUJOGIOYBSC-UHFFFAOYSA-N 1 0 253.773 3.442 20 10 CGCDRO CC(C)C1C[NH+](Cc2cc(Br)ccc2O)C1 ZINC000793191618 629426190 /nfs/dbraw/zinc/42/61/90/629426190.db2.gz ZQHCPSXAOUIRRU-UHFFFAOYSA-N 1 0 284.197 3.243 20 10 CGCDRO CC[C@H]([NH2+]Cc1cc(C)nn1C)c1cc(Cl)ccc1O ZINC000793560330 629484056 /nfs/dbraw/zinc/48/40/56/629484056.db2.gz NQFYOPFHZPWFLT-AWEZNQCLSA-N 1 0 293.798 3.328 20 10 CGCDRO COc1cc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)c(O)cc1C ZINC000863294395 629525932 /nfs/dbraw/zinc/52/59/32/629525932.db2.gz BDDWFBSZTRKLGV-KGLIPLIRSA-N 1 0 293.432 3.179 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)Cc1cnccn1)c1ccc(C)cc1O ZINC000794802047 629578944 /nfs/dbraw/zinc/57/89/44/629578944.db2.gz CEKXZGBJYITTFH-BBRMVZONSA-N 1 0 285.391 3.163 20 10 CGCDRO CC[C@H]([NH2+]CCc1cscn1)c1ccc(C)cc1O ZINC000794810875 629580513 /nfs/dbraw/zinc/58/05/13/629580513.db2.gz MXWRLVBAJPRDSJ-AWEZNQCLSA-N 1 0 276.405 3.441 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](CO)CC1CCC1)c1ccc(N(C)C)cc1 ZINC000794830962 629583361 /nfs/dbraw/zinc/58/33/61/629583361.db2.gz AUDKRLVPFCGMSY-SJLPKXTDSA-N 1 0 290.451 3.344 20 10 CGCDRO COc1ccc(C(=O)CC[N@H+](C)Cc2ccccc2O)cc1 ZINC000795956567 629730096 /nfs/dbraw/zinc/73/00/96/629730096.db2.gz PFQJIDVZTPISTC-UHFFFAOYSA-N 1 0 299.370 3.106 20 10 CGCDRO c1ccc2c(c1)C[NH+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000119956412 629806101 /nfs/dbraw/zinc/80/61/01/629806101.db2.gz WAQDQBLFHXPJBS-UHFFFAOYSA-N 1 0 294.398 3.039 20 10 CGCDRO Cc1cc(C[NH2+][C@H](C)Cc2ccc(N(C)C)cc2C)on1 ZINC000865604149 630214743 /nfs/dbraw/zinc/21/47/43/630214743.db2.gz RYSCQPFCAMAHMI-CYBMUJFWSA-N 1 0 287.407 3.078 20 10 CGCDRO Oc1ccccc1C[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000799718185 630223745 /nfs/dbraw/zinc/22/37/45/630223745.db2.gz RHXHQKJMUYVSAY-ZDUSSCGKSA-N 1 0 278.355 3.131 20 10 CGCDRO Cc1cc(Cl)nc(C[NH2+]Cc2cc(F)ccc2O)c1 ZINC000800526836 630291063 /nfs/dbraw/zinc/29/10/63/630291063.db2.gz FFYBKOPUCQICGG-UHFFFAOYSA-N 1 0 280.730 3.178 20 10 CGCDRO CCCC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCOC1 ZINC000801597456 630346537 /nfs/dbraw/zinc/34/65/37/630346537.db2.gz HMQFGQYPCGBSGB-HNNXBMFYSA-N 1 0 277.408 3.421 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CC[C@@H]2CCCS2)cc1C ZINC000865724788 630475931 /nfs/dbraw/zinc/47/59/31/630475931.db2.gz HQSGRYAZPCTCMQ-AWEZNQCLSA-N 1 0 265.422 3.384 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2C[C@@H]2C(F)F)cc1 ZINC000806170006 630553037 /nfs/dbraw/zinc/55/30/37/630553037.db2.gz UWKQDWXOYBIUNO-SWHYSGLUSA-N 1 0 268.351 3.447 20 10 CGCDRO CS[C@H]1CC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000840114363 630598597 /nfs/dbraw/zinc/59/85/97/630598597.db2.gz RFPVUAIZOHHRDT-HNNXBMFYSA-N 1 0 277.433 3.208 20 10 CGCDRO CCOc1ccc(C[NH2+][C@H]2c3ccccc3O[C@H]2C)c(O)c1 ZINC000808445518 630645895 /nfs/dbraw/zinc/64/58/95/630645895.db2.gz WNFKOVYGHVBNPU-KPZWWZAWSA-N 1 0 299.370 3.403 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]C[C@@H]1COc2ccccc21 ZINC000808451375 630646296 /nfs/dbraw/zinc/64/62/96/630646296.db2.gz MXZXGSPJFFWWQH-GFCCVEGCSA-N 1 0 289.762 3.311 20 10 CGCDRO COCCCC[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808677382 630663179 /nfs/dbraw/zinc/66/31/79/630663179.db2.gz WULBGJBVLVGCNH-NSHDSACASA-N 1 0 271.788 3.431 20 10 CGCDRO COC[C@H](C)C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808679977 630663878 /nfs/dbraw/zinc/66/38/78/630663878.db2.gz AJMKTJXCXPVRBT-KOLCDFICSA-N 1 0 271.788 3.287 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2O)c1O ZINC000808694605 630665599 /nfs/dbraw/zinc/66/55/99/630665599.db2.gz FDPICMQDDXVGOM-ZLKJLUDKSA-N 1 0 283.799 3.308 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](C3CC3)C2)cc1 ZINC000808776438 630676979 /nfs/dbraw/zinc/67/69/79/630676979.db2.gz HDWZVBKSBXAFOS-MRXNPFEDSA-N 1 0 258.409 3.375 20 10 CGCDRO Cc1ccc(O)c(CN(CC[NH+](C)C)Cc2ccccc2)c1 ZINC000809728165 630793940 /nfs/dbraw/zinc/79/39/40/630793940.db2.gz NMDNRWFCPDWPED-UHFFFAOYSA-N 1 0 298.430 3.264 20 10 CGCDRO COc1cccc(C[NH2+]Cc2cc(F)c(F)cc2F)c1O ZINC000809740438 630796852 /nfs/dbraw/zinc/79/68/52/630796852.db2.gz YTFLBGCUQAVSMN-UHFFFAOYSA-N 1 0 297.276 3.108 20 10 CGCDRO C[N@H+](Cc1ccc(O)cc1)Cc1cc(Cl)ccc1O ZINC000809753377 630800617 /nfs/dbraw/zinc/80/06/17/630800617.db2.gz GVRLLHBACJYXAC-UHFFFAOYSA-N 1 0 277.751 3.383 20 10 CGCDRO Cc1cccc2c1OC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)C2 ZINC000810178773 630850627 /nfs/dbraw/zinc/85/06/27/630850627.db2.gz VVNIVZNKCPUCMI-KRWDZBQOSA-N 1 0 296.414 3.154 20 10 CGCDRO Cc1cccc2c1OC[C@H]([NH2+]Cc1cc(C)c(C)cc1O)C2 ZINC000810178148 630851191 /nfs/dbraw/zinc/85/11/91/630851191.db2.gz JFNLYLPYYNJILS-QGZVFWFLSA-N 1 0 297.398 3.411 20 10 CGCDRO CC[C@H]([NH2+]C[C@H](C)OC)c1ccc(C(F)(F)F)cc1O ZINC000810237217 630857566 /nfs/dbraw/zinc/85/75/66/630857566.db2.gz ABTGFJMTCPKKHS-CABZTGNLSA-N 1 0 291.313 3.487 20 10 CGCDRO CC(C)N(C)C[C@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000810244204 630857657 /nfs/dbraw/zinc/85/76/57/630857657.db2.gz AZXFUFFQUGYMGE-RYUDHWBXSA-N 1 0 284.831 3.425 20 10 CGCDRO CC[C@H]([NH2+]CCF)c1ccc(C(F)(F)F)cc1O ZINC000810239339 630857824 /nfs/dbraw/zinc/85/78/24/630857824.db2.gz ZJXCPAXSYUJFLG-JTQLQIEISA-N 1 0 265.250 3.421 20 10 CGCDRO Cc1cccc2c1OC[C@H]([NH2+][C@H](C)c1ccccc1O)C2 ZINC000810259450 630861161 /nfs/dbraw/zinc/86/11/61/630861161.db2.gz JMIJJZZZZVYIFO-UKRRQHHQSA-N 1 0 283.371 3.355 20 10 CGCDRO CC[C@@H](C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)OC ZINC000810260347 630861605 /nfs/dbraw/zinc/86/16/05/630861605.db2.gz JGOKIBIRCVWWTD-WFASDCNBSA-N 1 0 277.408 3.347 20 10 CGCDRO CCCN(CC)C[C@H](C)[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000810262049 630862631 /nfs/dbraw/zinc/86/26/31/630862631.db2.gz IUAKAQZYUWNTLT-GJZGRUSLSA-N 1 0 278.440 3.472 20 10 CGCDRO COc1ccc(C[NH2+]C[C@H]2CC(C)=C[C@H](C)C2)c(O)c1 ZINC000811499118 631075762 /nfs/dbraw/zinc/07/57/62/631075762.db2.gz IZJPFBQWMOEYNP-GXTWGEPZSA-N 1 0 275.392 3.483 20 10 CGCDRO C[C@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)CCC1(F)F ZINC000811512906 631080979 /nfs/dbraw/zinc/08/09/79/631080979.db2.gz UCEZQYYRCJLYEG-NSHDSACASA-N 1 0 286.341 3.369 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CCC(F)(F)[C@@H](C)C2)c1O ZINC000811781092 631119328 /nfs/dbraw/zinc/11/93/28/631119328.db2.gz UNJGMFZKIOJNGY-NSHDSACASA-N 1 0 285.334 3.186 20 10 CGCDRO C[C@H]1C[C@H]([NH2+]CCCCF)c2c1c(F)ccc2O ZINC000812736578 631300156 /nfs/dbraw/zinc/30/01/56/631300156.db2.gz NQWHVDACXOTSLZ-ONGXEEELSA-N 1 0 255.308 3.419 20 10 CGCDRO CC[C@@H]([NH2+]Cc1nnc(C(C)(C)C)[nH]1)c1ccccc1O ZINC000814629239 631613395 /nfs/dbraw/zinc/61/33/95/631613395.db2.gz KRKFOFKCVCMGKR-GFCCVEGCSA-N 1 0 288.395 3.049 20 10 CGCDRO Cc1cc(C[N@@H+]2CCn3cccc3[C@@H]2C)ccc1N(C)C ZINC000815011623 631704063 /nfs/dbraw/zinc/70/40/63/631704063.db2.gz UICNPAHPDONERK-HNNXBMFYSA-N 1 0 283.419 3.439 20 10 CGCDRO Cc1cc(C[N@H+](C)C[C@@H]2CCCC[C@H]2O)ccc1N(C)C ZINC000815087744 631714244 /nfs/dbraw/zinc/71/42/44/631714244.db2.gz NMSPNIAGZKVPMR-FUHWJXTLSA-N 1 0 290.451 3.044 20 10 CGCDRO Cc1cc(C[N@H+]2C[C@H](C)O[C@H](C)[C@H]2C)ccc1N(C)C ZINC000815099582 631716689 /nfs/dbraw/zinc/71/66/89/631716689.db2.gz LBJCEAVJMSODIK-RRFJBIMHSA-N 1 0 276.424 3.059 20 10 CGCDRO CO[C@H]1CC[N@H+](Cc2ccc(N(C)C)c(C)c2)[C@@H](C)C1 ZINC000815107161 631719393 /nfs/dbraw/zinc/71/93/93/631719393.db2.gz HHCWLCBKRLHBGD-HOCLYGCPSA-N 1 0 276.424 3.060 20 10 CGCDRO CCOCC(C)(C)[NH2+]Cc1ccc(N(C)CC)cc1 ZINC000815136462 631727865 /nfs/dbraw/zinc/72/78/65/631727865.db2.gz BPWXJPYNEVLLIK-UHFFFAOYSA-N 1 0 264.413 3.047 20 10 CGCDRO Cc1ccccc1C(C)(C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000815150712 631731997 /nfs/dbraw/zinc/73/19/97/631731997.db2.gz DRMULKWMQIXADK-UHFFFAOYSA-N 1 0 299.370 3.454 20 10 CGCDRO COc1cccc(O)c1C[NH2+]CCC(C)(C)C1CC1 ZINC000815164320 631735014 /nfs/dbraw/zinc/73/50/14/631735014.db2.gz VNPBYRLYLQRFJK-UHFFFAOYSA-N 1 0 263.381 3.317 20 10 CGCDRO CCN1CCC([NH2+][C@@H](C)c2c(C)cc(C)cc2O)CC1 ZINC000815553667 631794377 /nfs/dbraw/zinc/79/43/77/631794377.db2.gz GUELYCVHQNRCPH-AWEZNQCLSA-N 1 0 276.424 3.144 20 10 CGCDRO CC[C@H](C)N(C)CC[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000815574640 631798368 /nfs/dbraw/zinc/79/83/68/631798368.db2.gz XWQGDMCSRGGYEU-LSDHHAIUSA-N 1 0 278.440 3.390 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@]2(C)CCCO2)c(O)c1 ZINC000815587445 631801529 /nfs/dbraw/zinc/80/15/29/631801529.db2.gz JUHVUFZFSLLAJO-XJKSGUPXSA-N 1 0 263.381 3.229 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](C)c1cc[nH]c(=O)c1)c1ccccc1O ZINC000815642733 631810273 /nfs/dbraw/zinc/81/02/73/631810273.db2.gz KIRVAEYNIYKPCD-SMDDNHRTSA-N 1 0 272.348 3.295 20 10 CGCDRO CC[N@@H+](Cc1ccc2ccccc2c1O)C[C@@H]1CCOC1 ZINC000816487912 631991344 /nfs/dbraw/zinc/99/13/44/631991344.db2.gz BXYOBLNSTIMZJW-AWEZNQCLSA-N 1 0 285.387 3.404 20 10 CGCDRO C[C@H](O)C1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC000816501510 631995689 /nfs/dbraw/zinc/99/56/89/631995689.db2.gz PACZBGNATQBURU-ZDUSSCGKSA-N 1 0 285.387 3.138 20 10 CGCDRO Oc1c(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)ccc2ccccc21 ZINC000816516835 632003158 /nfs/dbraw/zinc/00/31/58/632003158.db2.gz SNPCDCLAZAKWPK-RDJZCZTQSA-N 1 0 297.398 3.404 20 10 CGCDRO Oc1c(C[NH2+]C[C@@H]2CCCCO2)ccc2ccccc21 ZINC000816540428 632006143 /nfs/dbraw/zinc/00/61/43/632006143.db2.gz LCCGQJAQXKJZOL-HNNXBMFYSA-N 1 0 271.360 3.204 20 10 CGCDRO CCc1cc(C[NH2+]Cc2ccc3ccccc3c2O)[nH]n1 ZINC000816550365 632008657 /nfs/dbraw/zinc/00/86/57/632008657.db2.gz PBOFRWUECFBCQF-UHFFFAOYSA-N 1 0 281.359 3.121 20 10 CGCDRO CO[C@@H](C[NH2+]Cc1ccc2ccccc2c1O)C(F)(F)F ZINC000816549517 632008824 /nfs/dbraw/zinc/00/88/24/632008824.db2.gz QGSHPKGQGCXQPF-ZDUSSCGKSA-N 1 0 299.292 3.212 20 10 CGCDRO C[C@@](O)(C[NH2+]Cc1ccc2ccccc2c1O)c1ccco1 ZINC000816555197 632011785 /nfs/dbraw/zinc/01/17/85/632011785.db2.gz XAYZOKBRXOTPFN-GOSISDBHSA-N 1 0 297.354 3.136 20 10 CGCDRO CO[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc2ccccc2c1O ZINC000816560656 632013677 /nfs/dbraw/zinc/01/36/77/632013677.db2.gz WRNTUCUEUCLYAB-PBHICJAKSA-N 1 0 285.387 3.450 20 10 CGCDRO CC[C@@H]1C[N@@H+](Cc2cc(OC)c(C)cc2O)C[C@H](CC)O1 ZINC000817366082 632133871 /nfs/dbraw/zinc/13/38/71/632133871.db2.gz UAYJQAGAVPHNSB-GASCZTMLSA-N 1 0 293.407 3.099 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H](CCO)CC1 ZINC000817419816 632148092 /nfs/dbraw/zinc/14/80/92/632148092.db2.gz YMAWLSGOTOYLGL-INIZCTEOSA-N 1 0 290.451 3.046 20 10 CGCDRO CC[C@H]([NH2+]CCCC1(O)CCC1)c1ccc(C)cc1O ZINC000817585703 632191354 /nfs/dbraw/zinc/19/13/54/632191354.db2.gz HBVOTTSAXQUSKT-HNNXBMFYSA-N 1 0 277.408 3.437 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCCC2(O)CCC2)c(O)c1 ZINC000817586810 632192028 /nfs/dbraw/zinc/19/20/28/632192028.db2.gz SKPGJQHQDVPLBO-AWEZNQCLSA-N 1 0 277.408 3.355 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)cc1 ZINC000817938678 632238845 /nfs/dbraw/zinc/23/88/45/632238845.db2.gz PLYJKAKVEXSMIP-DNVCBOLYSA-N 1 0 297.446 3.412 20 10 CGCDRO Cc1ccccc1[C@@H](C)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000817938289 632239033 /nfs/dbraw/zinc/23/90/33/632239033.db2.gz IIMNJBXDQSZODJ-DNVCBOLYSA-N 1 0 297.446 3.412 20 10 CGCDRO CN(C)c1ccc([C@H](N)C[NH2+][C@H]2CCCC(C)(C)C2)cc1 ZINC000817939203 632239103 /nfs/dbraw/zinc/23/91/03/632239103.db2.gz AKNKSRYZQFWWJT-DOTOQJQBSA-N 1 0 289.467 3.311 20 10 CGCDRO C[C@H](N[C@H]1CCC[NH2+]C1)c1ccc(N2CCCCC2)cc1 ZINC000817942421 632240657 /nfs/dbraw/zinc/24/06/57/632240657.db2.gz YLLBIMJDVNFODR-RDJZCZTQSA-N 1 0 287.451 3.080 20 10 CGCDRO C[C@@H](N[C@@H]1CCC[NH2+]C1)c1ccc(N2CCCCC2)cc1 ZINC000817942419 632240722 /nfs/dbraw/zinc/24/07/22/632240722.db2.gz YLLBIMJDVNFODR-NVXWUHKLSA-N 1 0 287.451 3.080 20 10 CGCDRO CC[NH2+]CCC[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000817944224 632242392 /nfs/dbraw/zinc/24/23/92/632242392.db2.gz ZZMUWOXSHJGSNL-SECBINFHSA-N 1 0 291.222 3.349 20 10 CGCDRO CC[C@@H]([NH2+]C1CCC([NH3+])CC1)c1cccc(Cl)c1[O-] ZINC000817946598 632243443 /nfs/dbraw/zinc/24/34/43/632243443.db2.gz APSWUJCCZPZGCB-QIMFLAQGSA-N 1 0 282.815 3.356 20 10 CGCDRO CC[NH2+]CCN[C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000817953319 632247900 /nfs/dbraw/zinc/24/79/00/632247900.db2.gz ZZQYCEZWQPCPRM-INIZCTEOSA-N 1 0 289.467 3.327 20 10 CGCDRO C[C@H](NC[C@@H]1CCC[NH2+]1)c1ccc(N2CCCCC2)cc1 ZINC000817951234 632248090 /nfs/dbraw/zinc/24/80/90/632248090.db2.gz CDPALDPDSNCTPN-RDJZCZTQSA-N 1 0 287.451 3.080 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H](N)c1ccccc1)c1ccc(C)cc1O ZINC000817954633 632248907 /nfs/dbraw/zinc/24/89/07/632248907.db2.gz FPJBRKWHKMGJBO-IAGOWNOFSA-N 1 0 284.403 3.441 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](N)c2ccccc2)c(O)c1 ZINC000817955308 632250668 /nfs/dbraw/zinc/25/06/68/632250668.db2.gz VJZJMMZWWWBPIX-CJNGLKHVSA-N 1 0 270.376 3.051 20 10 CGCDRO Nc1ccc(CC[NH2+][C@H]2CCc3ccc(F)cc32)cc1 ZINC000817955992 632251213 /nfs/dbraw/zinc/25/12/13/632251213.db2.gz NDIZWQHYEPCFPK-KRWDZBQOSA-N 1 0 270.351 3.228 20 10 CGCDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)c1ccc2c(c1)COC2 ZINC000817955813 632251384 /nfs/dbraw/zinc/25/13/84/632251384.db2.gz IHHSOHSMJFFRJS-CYBMUJFWSA-N 1 0 282.387 3.192 20 10 CGCDRO CC(C)[C@H]([NH3+])CN[C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000817958968 632254966 /nfs/dbraw/zinc/25/49/66/632254966.db2.gz NVEINIRFRQHDAE-MAUKXSAKSA-N 1 0 289.467 3.311 20 10 CGCDRO CCCC[C@H](CN)[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000817963585 632258603 /nfs/dbraw/zinc/25/86/03/632258603.db2.gz VJHYEGLNUFHRFQ-ZIAGYGMSSA-N 1 0 264.413 3.177 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(F)cc1[O-] ZINC000817986864 632275717 /nfs/dbraw/zinc/27/57/17/632275717.db2.gz VAHVFFJBCYIZCK-ZFWWWQNUSA-N 1 0 292.398 3.247 20 10 CGCDRO COc1cccc(O)c1C[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000818239105 632301467 /nfs/dbraw/zinc/30/14/67/632301467.db2.gz VKHVQEIHJHUUQW-UONOGXRCSA-N 1 0 275.392 3.459 20 10 CGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3C[C@H](C)[C@@H]3C)C2)cc1 ZINC000818341679 632311151 /nfs/dbraw/zinc/31/11/51/632311151.db2.gz CQYNIADVMBKZKD-OIPACUDHSA-N 1 0 288.435 3.156 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CC12CC2)c1cc2c(cc1O)CCCC2 ZINC000818357319 632314372 /nfs/dbraw/zinc/31/43/72/632314372.db2.gz ZFCBJVKGCNXULP-BZNIZROVSA-N 1 0 257.377 3.474 20 10 CGCDRO CC(C)c1cnc(CN2CCCc3cc(C[NH3+])ccc32)o1 ZINC000844219234 635833772 /nfs/dbraw/zinc/83/37/72/635833772.db2.gz JRUJBJNESQXRRN-UHFFFAOYSA-N 1 0 285.391 3.210 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CCC23CCOCC3)cc1 ZINC000865778251 632887200 /nfs/dbraw/zinc/88/72/00/632887200.db2.gz HVHOIUZHVFEJDO-MRXNPFEDSA-N 1 0 288.435 3.049 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]C2([C@H]3CCCCO3)CCC2)c1 ZINC000865856402 632921239 /nfs/dbraw/zinc/92/12/39/632921239.db2.gz HTRKOQBLAQGBTK-MRXNPFEDSA-N 1 0 275.392 3.282 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2C[C@H]2C2CCC2)c1O ZINC000822498200 632948263 /nfs/dbraw/zinc/94/82/63/632948263.db2.gz VZOUFRKXFOAYTA-QWHCGFSZSA-N 1 0 281.783 3.332 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]CC(C)(C)F)c2c1c(F)ccc2O ZINC000866407784 633126071 /nfs/dbraw/zinc/12/60/71/633126071.db2.gz CDUKIGZVPPTIKI-SCZZXKLOSA-N 1 0 255.308 3.417 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)c(O)c1C ZINC000866444217 633133374 /nfs/dbraw/zinc/13/33/74/633133374.db2.gz ZYYARDLZLIUEIN-CQROYNQRSA-N 1 0 263.381 3.226 20 10 CGCDRO CC[C@H]([NH2+]Cc1ncc(C)s1)c1ccccc1O ZINC000121089006 633165812 /nfs/dbraw/zinc/16/58/12/633165812.db2.gz AUYJUHCRGBEQPZ-LBPRGKRZSA-N 1 0 262.378 3.398 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCCn2nccc21)c1ccc(Cl)cc1O ZINC000866633140 633222202 /nfs/dbraw/zinc/22/22/02/633222202.db2.gz FZXMMVOURNXIOH-GWCFXTLKSA-N 1 0 291.782 3.428 20 10 CGCDRO Cc1ccc(CN2CCC([NH+]3CCCCC3)CC2)c(O)c1 ZINC000876563201 634859149 /nfs/dbraw/zinc/85/91/49/634859149.db2.gz ZEYDIMADYLPLIG-UHFFFAOYSA-N 1 0 288.435 3.151 20 10 CGCDRO CC[C@@](C)(C[NH2+]Cc1ccc2ccccc2c1O)OC ZINC000824743424 633282277 /nfs/dbraw/zinc/28/22/77/633282277.db2.gz BRJYZROBDRPCTI-KRWDZBQOSA-N 1 0 273.376 3.450 20 10 CGCDRO CO[C@](C)(C[NH2+]Cc1ccc(N(C)C)cc1)c1ccccc1 ZINC000824780625 633287917 /nfs/dbraw/zinc/28/79/17/633287917.db2.gz XDBYLDVHZGESIY-LJQANCHMSA-N 1 0 298.430 3.404 20 10 CGCDRO COC[C@@H]1CCC[N@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000824782729 633289474 /nfs/dbraw/zinc/28/94/74/633289474.db2.gz LYXLEVKIHMPHMF-GFCCVEGCSA-N 1 0 283.799 3.212 20 10 CGCDRO CC[C@@H]([NH2+]CC1(CF)CCOCC1)c1ccccc1O ZINC000824794783 633290864 /nfs/dbraw/zinc/29/08/64/633290864.db2.gz IGCRAOQYRFPTMZ-CQSZACIVSA-N 1 0 281.371 3.199 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccccn2)c(O)c1 ZINC000876585535 634862096 /nfs/dbraw/zinc/86/20/96/634862096.db2.gz NKDDZMZWGABBJA-MRXNPFEDSA-N 1 0 268.360 3.433 20 10 CGCDRO Cc1cc(O)c(C[N@H+](C)CCOCC2CC2)cc1Cl ZINC000824902401 633304156 /nfs/dbraw/zinc/30/41/56/633304156.db2.gz VYOQJTDKPDIACS-UHFFFAOYSA-N 1 0 283.799 3.212 20 10 CGCDRO CCOc1ccc(C[N@H+](C)[C@@H](CO)CC(C)(C)C)c(O)c1 ZINC000825040323 633320579 /nfs/dbraw/zinc/32/05/79/633320579.db2.gz GMFFBLKFRGBJIK-CQSZACIVSA-N 1 0 295.423 3.020 20 10 CGCDRO Cc1cnc(C[NH2+]Cc2cc(Cl)c(C)cc2O)s1 ZINC000825289358 633342859 /nfs/dbraw/zinc/34/28/59/633342859.db2.gz YGNVBNMQXJFVKH-UHFFFAOYSA-N 1 0 282.796 3.409 20 10 CGCDRO CC1(C)CCCN1CC[NH2+]Cc1cc(Cl)ccc1O ZINC000825325402 633345655 /nfs/dbraw/zinc/34/56/55/633345655.db2.gz CMMSOTFEIIYINY-UHFFFAOYSA-N 1 0 282.815 3.010 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCO[C@@H](C)C2)cc1Cl ZINC000825406513 633353085 /nfs/dbraw/zinc/35/30/85/633353085.db2.gz UPQVHABOBHFTRN-RYUDHWBXSA-N 1 0 283.799 3.259 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC23CCOCC3)cc1Cl ZINC000825709792 633376547 /nfs/dbraw/zinc/37/65/47/633376547.db2.gz BCCQXSMBIFVZJR-UHFFFAOYSA-N 1 0 281.783 3.109 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)CSCCF)c1 ZINC000825934397 633389844 /nfs/dbraw/zinc/38/98/44/633389844.db2.gz INTGCNRLEJPRBA-GHMZBOCLSA-N 1 0 287.400 3.143 20 10 CGCDRO CO[C@H]1CC[N@H+](Cc2cc(Cl)c(C)cc2O)C[C@@H]1C ZINC000826063018 633402263 /nfs/dbraw/zinc/40/22/63/633402263.db2.gz ZTPJZCJQADSTEV-NHYWBVRUSA-N 1 0 283.799 3.211 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1CCN1C(C)(C)C ZINC000826790995 633433424 /nfs/dbraw/zinc/43/34/24/633433424.db2.gz PZEVQDYSONWMDQ-KRWDZBQOSA-N 1 0 289.467 3.023 20 10 CGCDRO CCc1cccc(C[NH2+]C2(COC)CCCC2)c1O ZINC000826834894 633436297 /nfs/dbraw/zinc/43/62/97/633436297.db2.gz YBNFEZHIEKZMPH-UHFFFAOYSA-N 1 0 263.381 3.003 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+]C[C@H]2CCC[C@H](C)O2)c1O ZINC000827252095 633475382 /nfs/dbraw/zinc/47/53/82/633475382.db2.gz WVMKZYUEHZSHPY-SMDDNHRTSA-N 1 0 283.799 3.401 20 10 CGCDRO COc1ccc2c(c1)CC[N@@H+](Cc1cc(C)ccc1O)C2 ZINC000827304778 633480634 /nfs/dbraw/zinc/48/06/34/633480634.db2.gz DPICZTUOWDVXQQ-UHFFFAOYSA-N 1 0 283.371 3.268 20 10 CGCDRO Cc1cc(Br)cc(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)c1O ZINC000827488274 633494304 /nfs/dbraw/zinc/49/43/04/633494304.db2.gz FQAUACGKPNPRJS-CLLJXQQHSA-N 1 0 296.208 3.351 20 10 CGCDRO CCCN(CCC)c1ccc(C[NH2+]C2([C@H](C)O)CC2)cc1 ZINC000827579531 633500929 /nfs/dbraw/zinc/50/09/29/633500929.db2.gz FRBBKQXVFRBTRB-HNNXBMFYSA-N 1 0 290.451 3.316 20 10 CGCDRO Oc1c(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)ccc2ccccc21 ZINC000827601733 633502355 /nfs/dbraw/zinc/50/23/55/633502355.db2.gz HSACGHRXAWOCFF-CVEARBPZSA-N 1 0 283.371 3.014 20 10 CGCDRO Cc1cc(C[NH2+][C@@H](C)[C@H](C)CO)ccc1N1CCCCC1 ZINC000828846757 633660656 /nfs/dbraw/zinc/66/06/56/633660656.db2.gz RKAARAMOGBSYGJ-CVEARBPZSA-N 1 0 290.451 3.092 20 10 CGCDRO C[C@H]1CC2(C[N@@H+]1Cc1ccc(N(C)C)cc1)CCOCC2 ZINC000830602986 633873362 /nfs/dbraw/zinc/87/33/62/633873362.db2.gz CRROANBXHIWXQC-HNNXBMFYSA-N 1 0 288.435 3.144 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@H](SC)C2)cc1 ZINC000830890573 633894595 /nfs/dbraw/zinc/89/45/95/633894595.db2.gz ZZZHUQKTMPTYHO-OAHLLOKOSA-N 1 0 264.438 3.080 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@H](O)CC(C)(C)C2)cc1 ZINC000832152562 634032571 /nfs/dbraw/zinc/03/25/71/634032571.db2.gz KNPHTWHOBYELLZ-QGZVFWFLSA-N 1 0 290.451 3.126 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2C[C@H]3CCC[C@H]3O2)c1 ZINC000872109130 634033456 /nfs/dbraw/zinc/03/34/56/634033456.db2.gz HZRREVGKEUKSAG-GMIGKAJZSA-N 1 0 291.391 3.009 20 10 CGCDRO CSC1CC[NH+](Cc2cc(C)cc(C)c2O)CC1 ZINC000872626743 634179976 /nfs/dbraw/zinc/17/99/76/634179976.db2.gz NFQKLIRZFSXMGG-UHFFFAOYSA-N 1 0 265.422 3.336 20 10 CGCDRO C[C@H](c1ccccc1)[C@H](CO)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834653943 634209278 /nfs/dbraw/zinc/20/92/78/634209278.db2.gz HALXFRUVPHZRPX-XYPHTWIQSA-N 1 0 297.398 3.134 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@H](C)c2cnn(C)c2)cc1C ZINC000873060223 634238750 /nfs/dbraw/zinc/23/87/50/634238750.db2.gz FPAODAVVQUATHI-CQSZACIVSA-N 1 0 287.407 3.368 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CC=CCC2)cc1Cn1cccn1 ZINC000873055148 634238799 /nfs/dbraw/zinc/23/87/99/634238799.db2.gz DMHQPJPLUBRXED-QGZVFWFLSA-N 1 0 297.402 3.138 20 10 CGCDRO CN1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834787478 634242438 /nfs/dbraw/zinc/24/24/38/634242438.db2.gz MSIJBBCWGYEKSE-HOCLYGCPSA-N 1 0 288.435 3.090 20 10 CGCDRO Cc1ccc([C@H](O)[C@H](C)[NH2+][C@@H]2CCc3cccc(O)c32)cc1 ZINC000834798912 634244978 /nfs/dbraw/zinc/24/49/78/634244978.db2.gz RMODHHONMJBDMT-URKNILKWSA-N 1 0 297.398 3.400 20 10 CGCDRO OC[C@H](C[NH2+][C@H]1CCc2cccc(O)c21)C1CCCCC1 ZINC000834810275 634245930 /nfs/dbraw/zinc/24/59/30/634245930.db2.gz AZXGWVJXRMIETN-HOTGVXAUSA-N 1 0 289.419 3.158 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1CCn2ccnc21)c1cc(Cl)ccc1O ZINC000834833419 634251742 /nfs/dbraw/zinc/25/17/42/634251742.db2.gz ZPUSWOHBCZGRGD-CHWSQXEVSA-N 1 0 291.782 3.428 20 10 CGCDRO CCCOc1ccc(C[NH2+]CC2(CC)COC2)cc1C ZINC000873130186 634253009 /nfs/dbraw/zinc/25/30/09/634253009.db2.gz ZTIGVSIJLFAZAZ-UHFFFAOYSA-N 1 0 277.408 3.300 20 10 CGCDRO C[C@H](CCCO)C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000834870126 634260011 /nfs/dbraw/zinc/26/00/11/634260011.db2.gz GHNOVHBQUPGXPC-WZRBSPASSA-N 1 0 281.371 3.078 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H](C)CCCO)c1cc(Cl)ccc1O ZINC000834870815 634260281 /nfs/dbraw/zinc/26/02/81/634260281.db2.gz KPLNBQTZYLJHRZ-BXUZGUMPSA-N 1 0 285.815 3.495 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2C[C@@H]3CCC[C@@H]3O2)cc1C ZINC000873156522 634264254 /nfs/dbraw/zinc/26/42/54/634264254.db2.gz KTEQOBWIEVASGS-QRTARXTBSA-N 1 0 275.392 3.056 20 10 CGCDRO CC(C)[C@@H]1C[C@@H](C[NH2+][C@@H](C)c2ccccc2O)CCO1 ZINC000834884670 634266547 /nfs/dbraw/zinc/26/65/47/634266547.db2.gz AOTDAOLONBEDOW-ZQIUZPCESA-N 1 0 277.408 3.494 20 10 CGCDRO CCn1ccnc1[C@H](C)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000834892685 634271079 /nfs/dbraw/zinc/27/10/79/634271079.db2.gz CMKRGFBWDPNQGO-MNOVXSKESA-N 1 0 277.343 3.160 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)Cc2cnn(C)c2)c(O)c1C ZINC000834895936 634273475 /nfs/dbraw/zinc/27/34/75/634273475.db2.gz FLSCCHDWDZCIGL-JSGCOSHPSA-N 1 0 287.407 3.024 20 10 CGCDRO CCCc1ncc(C[NH2+][C@@H](C)c2cc(F)ccc2O)o1 ZINC000834900980 634277600 /nfs/dbraw/zinc/27/76/00/634277600.db2.gz VIMHXXCRLVLMAX-JTQLQIEISA-N 1 0 278.327 3.323 20 10 CGCDRO CCC1(C[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)COC1 ZINC000834901298 634277945 /nfs/dbraw/zinc/27/79/45/634277945.db2.gz ZFLPBHZRJCLLID-ZDUSSCGKSA-N 1 0 289.419 3.348 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CC[C@@H](C)O2)c(O)c1C ZINC000834915571 634286457 /nfs/dbraw/zinc/28/64/57/634286457.db2.gz QVEQOSIGBOAQFT-KWCYVHTRSA-N 1 0 263.381 3.227 20 10 CGCDRO CN(C)c1ccc(CNc2ccc([C@@H]3C[C@H]3[NH3+])cc2)cc1 ZINC000873217621 634287261 /nfs/dbraw/zinc/28/72/61/634287261.db2.gz QNPDMISJPOOCQL-ZWKOTPCHSA-N 1 0 281.403 3.179 20 10 CGCDRO CC[C@H]([NH2+]C[C@H]1CC[C@H](C)O1)c1ccc(C)cc1O ZINC000834916088 634287255 /nfs/dbraw/zinc/28/72/55/634287255.db2.gz ZRHBPFADMNVUEM-GUTXKFCHSA-N 1 0 263.381 3.309 20 10 CGCDRO CC[N@H+](C/C=C\c1ccc(N(C)C)cc1)C[C@H]1CCOC1 ZINC000835026232 634325139 /nfs/dbraw/zinc/32/51/39/634325139.db2.gz SMAFOAWAQPZWKB-KEGWNNHHSA-N 1 0 288.435 3.124 20 10 CGCDRO CN(C)c1ccc(/C=C\C[N@H+](CCCCO)C2CC2)cc1 ZINC000835027737 634325417 /nfs/dbraw/zinc/32/54/17/634325417.db2.gz GKPLKIRFUALXII-WAYWQWQTSA-N 1 0 288.435 3.003 20 10 CGCDRO CCC[C@H](CCO)C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835039635 634329758 /nfs/dbraw/zinc/32/97/58/634329758.db2.gz IFDZCVKYMKAGTF-QQOXCAACSA-N 1 0 290.451 3.154 20 10 CGCDRO C[C@@H]([NH2+]C/C=C/c1ccc(N(C)C)cc1)C1CCOCC1 ZINC000835043183 634330480 /nfs/dbraw/zinc/33/04/80/634330480.db2.gz NRQMZDSSBJBHQD-MBVDDHJVSA-N 1 0 288.435 3.171 20 10 CGCDRO C[C@H](Cc1ccncc1)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835043366 634331713 /nfs/dbraw/zinc/33/17/13/634331713.db2.gz PWAIOIOTRQLAPR-YIEVGGLXSA-N 1 0 295.430 3.382 20 10 CGCDRO COCC1(C[NH2+]C/C=C/c2ccc(N(C)C)cc2)CCC1 ZINC000835050544 634336065 /nfs/dbraw/zinc/33/60/65/634336065.db2.gz UIPDKLREYATLOS-GQCTYLIASA-N 1 0 288.435 3.172 20 10 CGCDRO CSC1(C[NH2+]C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000835051029 634337125 /nfs/dbraw/zinc/33/71/25/634337125.db2.gz AESYKIZVJFRSGK-SNAWJCMRSA-N 1 0 276.449 3.251 20 10 CGCDRO Cc1cccc(CC[NH2+]C/C=C\c2ccc(N(C)C)cc2)n1 ZINC000835051742 634337391 /nfs/dbraw/zinc/33/73/91/634337391.db2.gz HPNNNWDJNOEOFP-ALCCZGGFSA-N 1 0 295.430 3.302 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+]CCC[C@H]2CCOC2)cc1 ZINC000835053904 634338120 /nfs/dbraw/zinc/33/81/20/634338120.db2.gz FWAGTXLGWGWWRI-RCFWFJCLSA-N 1 0 288.435 3.172 20 10 CGCDRO CC(C)N(C)C[C@H](C)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835055881 634338964 /nfs/dbraw/zinc/33/89/64/634338964.db2.gz OWVHYRGUTPXVRP-WAVCKPEOSA-N 1 0 289.467 3.084 20 10 CGCDRO Cc1ccc(C[N@H+](CCCO)Cc2ccccc2)c(O)c1 ZINC000876692075 634882187 /nfs/dbraw/zinc/88/21/87/634882187.db2.gz MVADVEQSKMUVDZ-UHFFFAOYSA-N 1 0 285.387 3.085 20 10 CGCDRO Cc1ccc(C[N@@H+](C)[C@@H](C)Cc2ccc(O)cc2)c(O)c1 ZINC000876724426 634886719 /nfs/dbraw/zinc/88/67/19/634886719.db2.gz WQUIVWXDSJTADM-AWEZNQCLSA-N 1 0 285.387 3.469 20 10 CGCDRO COC1CCC([N@H+](C)Cc2ccc(C)cc2O)CC1 ZINC000876737264 634887743 /nfs/dbraw/zinc/88/77/43/634887743.db2.gz OXVXYCHLRNSYTQ-UHFFFAOYSA-N 1 0 263.381 3.090 20 10 CGCDRO COCc1ccc(C[NH2+]Cc2c(C)cccc2O)cc1 ZINC000876909987 634926866 /nfs/dbraw/zinc/92/68/66/634926866.db2.gz OEZRITUNLZOTGW-UHFFFAOYSA-N 1 0 271.360 3.137 20 10 CGCDRO CCc1nc(CC[NH2+]Cc2c(C)cccc2O)cs1 ZINC000876996979 634946873 /nfs/dbraw/zinc/94/68/73/634946873.db2.gz JMWOZOJKDGICJZ-UHFFFAOYSA-N 1 0 276.405 3.052 20 10 CGCDRO Cc1ccc(C[NH2+]C[C@@H]2Cc3ccccc32)c(O)c1 ZINC000877016352 634951713 /nfs/dbraw/zinc/95/17/13/634951713.db2.gz LNEGVZSCMGTHHJ-HNNXBMFYSA-N 1 0 253.345 3.130 20 10 CGCDRO COC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(C)cc1O ZINC000877077148 634974939 /nfs/dbraw/zinc/97/49/39/634974939.db2.gz YEZZKAIUVQQZFH-QGZVFWFLSA-N 1 0 285.387 3.048 20 10 CGCDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000877086984 634979994 /nfs/dbraw/zinc/97/99/94/634979994.db2.gz DJEPCLCAAJWBTB-CQSZACIVSA-N 1 0 275.392 3.282 20 10 CGCDRO Cc1ccc(C[NH2+]CCC[C@H]2CCCC[C@@H]2O)c(O)c1 ZINC000877098069 634984423 /nfs/dbraw/zinc/98/44/23/634984423.db2.gz KQFUPPSZSDHFLT-ZBFHGGJFSA-N 1 0 277.408 3.122 20 10 CGCDRO Cc1ccc(C[NH2+][C@H](CCO)C2CCCCC2)c(O)c1 ZINC000877128644 634993777 /nfs/dbraw/zinc/99/37/77/634993777.db2.gz VPJBFBZVRIVUHF-MRXNPFEDSA-N 1 0 277.408 3.122 20 10 CGCDRO Cc1ccc(C[NH2+]C[C@@H]2CCCCS2)c(O)c1 ZINC000877303172 635021524 /nfs/dbraw/zinc/02/15/24/635021524.db2.gz QDBLLWAFNXKDBK-ZDUSSCGKSA-N 1 0 251.395 3.076 20 10 CGCDRO Cc1cnc([C@@H](C)C[NH2+]Cc2ccc(C)cc2O)s1 ZINC000877342017 635028659 /nfs/dbraw/zinc/02/86/59/635028659.db2.gz XRVGVHXUIOYEID-NSHDSACASA-N 1 0 276.405 3.359 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(Cl)nn1)c1ccc(N(C)C)cc1 ZINC000877416255 635037638 /nfs/dbraw/zinc/03/76/38/635037638.db2.gz LMWMPJDWDNLHOJ-LLVKDONJSA-N 1 0 290.798 3.047 20 10 CGCDRO C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cc(F)cc(F)c1[O-] ZINC000840809272 635055610 /nfs/dbraw/zinc/05/56/10/635055610.db2.gz HVYTWPCZWBPYEA-NEPJUHHUSA-N 1 0 298.377 3.053 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000877493464 635059617 /nfs/dbraw/zinc/05/96/17/635059617.db2.gz BNNRVRJMJRUKDE-LLVKDONJSA-N 1 0 255.308 3.226 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H](C)CCOC)c1ccc(C)cc1O ZINC000840836035 635060760 /nfs/dbraw/zinc/06/07/60/635060760.db2.gz SADUKYUMXPCALN-UKRRQHHQSA-N 1 0 265.397 3.414 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H](O)c2ccccc2)c(Cl)c1 ZINC000840875751 635071075 /nfs/dbraw/zinc/07/10/75/635071075.db2.gz GWERJCNDAGUHMO-MRXNPFEDSA-N 1 0 291.778 3.177 20 10 CGCDRO COc1cc[nH+]c(NCc2ccc(N(C)C)cc2C)c1 ZINC000840880622 635071897 /nfs/dbraw/zinc/07/18/97/635071897.db2.gz ZAPAFMYZHYMBMB-UHFFFAOYSA-N 1 0 271.364 3.077 20 10 CGCDRO COCC1CCC([NH2+][C@@H](C)c2ccccc2O)CC1 ZINC000840882389 635073657 /nfs/dbraw/zinc/07/36/57/635073657.db2.gz VFQFJXUPZRVTGG-HSBZDZAISA-N 1 0 263.381 3.248 20 10 CGCDRO Cc1ccc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c(O)c1 ZINC000877542112 635080990 /nfs/dbraw/zinc/08/09/90/635080990.db2.gz VNQMPRNUSODUEE-SJORKVTESA-N 1 0 287.403 3.234 20 10 CGCDRO Cc1ccc(C[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)nn1 ZINC000840910814 635081450 /nfs/dbraw/zinc/08/14/50/635081450.db2.gz SHLIIIJWGNSDFM-UHFFFAOYSA-N 1 0 298.434 3.262 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)c(Cl)c1 ZINC000840919354 635082266 /nfs/dbraw/zinc/08/22/66/635082266.db2.gz CSBIPMAQIZSZBI-IUODEOHRSA-N 1 0 295.810 3.355 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@](C)(O)c1ccccc1 ZINC000840933118 635084666 /nfs/dbraw/zinc/08/46/66/635084666.db2.gz AQLIPDSOLDIWNG-IBGZPJMESA-N 1 0 298.430 3.058 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH+]1CCC(CCCO)CC1 ZINC000840936142 635085627 /nfs/dbraw/zinc/08/56/27/635085627.db2.gz FGGKVMLIXNSOQJ-UHFFFAOYSA-N 1 0 290.451 3.046 20 10 CGCDRO CO[C@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2C)CC1 ZINC000840936473 635086175 /nfs/dbraw/zinc/08/61/75/635086175.db2.gz JPACGPJUYXEJAT-KRWDZBQOSA-N 1 0 276.424 3.062 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCc2cccc(C)n2)c(Cl)c1 ZINC000840940684 635086753 /nfs/dbraw/zinc/08/67/53/635086753.db2.gz BADIAKGUJCGPCH-UHFFFAOYSA-N 1 0 290.794 3.390 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000840943513 635089999 /nfs/dbraw/zinc/08/99/99/635089999.db2.gz TVUAYOOLLDJGLX-MSOLQXFVSA-N 1 0 288.435 3.204 20 10 CGCDRO CC[N@H+](Cc1cc(OC)ccc1O)C1CC(C)(C)C1 ZINC000840970885 635097514 /nfs/dbraw/zinc/09/75/14/635097514.db2.gz DRIDULVZNMRIME-UHFFFAOYSA-N 1 0 263.381 3.411 20 10 CGCDRO Cc1cnc(C[NH2+][C@H](C)Cc2ccc(N(C)C)cc2C)o1 ZINC000877591202 635104962 /nfs/dbraw/zinc/10/49/62/635104962.db2.gz BIUCKAMGXIWZEU-CYBMUJFWSA-N 1 0 287.407 3.078 20 10 CGCDRO CCOc1ccc(O)c(CNc2ccc([C@H](C)[NH3+])cc2)c1 ZINC000841028768 635109408 /nfs/dbraw/zinc/10/94/08/635109408.db2.gz RIUNJFZQBQTJFX-LBPRGKRZSA-N 1 0 286.375 3.423 20 10 CGCDRO C[C@H](CCc1ccsc1)[NH2+]CCc1ccc(N)cc1 ZINC000841033776 635110102 /nfs/dbraw/zinc/11/01/02/635110102.db2.gz BAIMPWLXLMPKPN-CYBMUJFWSA-N 1 0 274.433 3.484 20 10 CGCDRO Nc1ccc(CC[NH2+]C2CCC3(CCOCC3)CC2)cc1 ZINC000841036979 635111174 /nfs/dbraw/zinc/11/11/74/635111174.db2.gz XRIOOTYRIRORKC-UHFFFAOYSA-N 1 0 288.435 3.140 20 10 CGCDRO Nc1ccc(CC[NH2+]Cc2ccc(OCC3CC3)cc2)cc1 ZINC000841038810 635112140 /nfs/dbraw/zinc/11/21/40/635112140.db2.gz QVKQBGKPEOFSLV-UHFFFAOYSA-N 1 0 296.414 3.390 20 10 CGCDRO Cc1ncc([C@@H](C)[NH2+]Cc2cc(Cl)ccc2O)c(C)n1 ZINC000877612075 635112564 /nfs/dbraw/zinc/11/25/64/635112564.db2.gz CIPGTBVOTHQAIC-SECBINFHSA-N 1 0 291.782 3.303 20 10 CGCDRO C[NH2+]Cc1ccccc1NCc1ccc(N(C)C)c(F)c1 ZINC000841042974 635113566 /nfs/dbraw/zinc/11/35/66/635113566.db2.gz MPMGMWFYGPGCEI-UHFFFAOYSA-N 1 0 287.382 3.223 20 10 CGCDRO CC(C)CC[C@@H](C)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000841045365 635114312 /nfs/dbraw/zinc/11/43/12/635114312.db2.gz KIIYQFPMQRWZDA-RHSMWYFYSA-N 1 0 277.456 3.167 20 10 CGCDRO COc1cccc2c1OCC[C@H]2[NH2+]Cc1c(C)cccc1O ZINC000877619044 635115563 /nfs/dbraw/zinc/11/55/63/635115563.db2.gz MLKINWNQDDOICO-OAHLLOKOSA-N 1 0 299.370 3.323 20 10 CGCDRO COc1c(C)cccc1C[NH2+]Cc1ccc(C)cc1O ZINC000877618463 635115862 /nfs/dbraw/zinc/11/58/62/635115862.db2.gz VNURDHYRJCYRCZ-UHFFFAOYSA-N 1 0 271.360 3.307 20 10 CGCDRO Cc1ccc(C[NH+]2CCC(c3ccon3)CC2)c(O)c1 ZINC000877638659 635126152 /nfs/dbraw/zinc/12/61/52/635126152.db2.gz KKORQYCYRLNTHA-UHFFFAOYSA-N 1 0 272.348 3.068 20 10 CGCDRO Cc1cccc(O)c1C[NH+]1C[C@@H](C)C(F)(F)[C@H](C)C1 ZINC000877649794 635131017 /nfs/dbraw/zinc/13/10/17/635131017.db2.gz JAVXVNFBHWWSQZ-VXGBXAGGSA-N 1 0 269.335 3.424 20 10 CGCDRO Cc1cccc(O)c1C[NH+]1CC(c2ccccc2)C1 ZINC000877666059 635138757 /nfs/dbraw/zinc/13/87/57/635138757.db2.gz UGAVRMBWNDGLLJ-UHFFFAOYSA-N 1 0 253.345 3.300 20 10 CGCDRO CC(C)n1ccnc1C[NH2+][C@H](C)c1ccccc1O ZINC000877755797 635184005 /nfs/dbraw/zinc/18/40/05/635184005.db2.gz NCXCZCNNAILQCR-GFCCVEGCSA-N 1 0 259.353 3.020 20 10 CGCDRO C[C@H](CSCCF)[NH2+][C@H](C)c1ccccc1O ZINC000877756017 635185958 /nfs/dbraw/zinc/18/59/58/635185958.db2.gz YXSDQZCKVBYJPB-GHMZBOCLSA-N 1 0 257.374 3.134 20 10 CGCDRO Cc1ncc([C@H](C)[NH2+][C@@H](C)c2ccccc2O)c(C)n1 ZINC000877758382 635186917 /nfs/dbraw/zinc/18/69/17/635186917.db2.gz XFHVLEAVCITJPO-QWRGUYRKSA-N 1 0 271.364 3.211 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCc2cccnc2CC1)c1ccccc1O ZINC000877758070 635187446 /nfs/dbraw/zinc/18/74/46/635187446.db2.gz HTOFVVHIHHBJQL-DZGCQCFKSA-N 1 0 282.387 3.385 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccccc1CO)c1ccc(Cl)cc1O ZINC000841745114 635221911 /nfs/dbraw/zinc/22/19/11/635221911.db2.gz NIJUFZGTLFAIHD-LLVKDONJSA-N 1 0 291.778 3.389 20 10 CGCDRO CC(C)C[C@H](CO)[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841744198 635222641 /nfs/dbraw/zinc/22/26/41/635222641.db2.gz FTWNQOVUVUUERE-CMPLNLGQSA-N 1 0 271.788 3.103 20 10 CGCDRO COC(C)(C)C[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841749071 635225873 /nfs/dbraw/zinc/22/58/73/635225873.db2.gz BRBORXZMRTWOMU-SECBINFHSA-N 1 0 257.761 3.121 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1CCC=CO1)c1ccc(Cl)cc1O ZINC000841753764 635227006 /nfs/dbraw/zinc/22/70/06/635227006.db2.gz VTPFLPCJAWJEKJ-PWSUYJOCSA-N 1 0 267.756 3.389 20 10 CGCDRO C[C@@H]([NH2+][C@@H](CO)c1ccccc1)c1ccc(Cl)cc1O ZINC000841761787 635233441 /nfs/dbraw/zinc/23/34/41/635233441.db2.gz ZUNGWHYNPAEERH-ABAIWWIYSA-N 1 0 291.778 3.430 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1COCc2ccccc21 ZINC000841889392 635247684 /nfs/dbraw/zinc/24/76/84/635247684.db2.gz ALIQHRCQLOLFFB-LJQANCHMSA-N 1 0 296.414 3.422 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCSC[C@@H]2C2CCC2)c1 ZINC000841893279 635248965 /nfs/dbraw/zinc/24/89/65/635248965.db2.gz HUUYWVWVDXFPIG-OAHLLOKOSA-N 1 0 277.433 3.418 20 10 CGCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@H]1CCO[C@@H]1C ZINC000877977872 635302829 /nfs/dbraw/zinc/30/28/29/635302829.db2.gz XAFSPHLHHRARHI-NVXWUHKLSA-N 1 0 290.451 3.388 20 10 CGCDRO C[C@H]1C[NH+](Cc2ccc(N3CCCCC3)cc2)C[C@H](C)O1 ZINC000126883911 635350883 /nfs/dbraw/zinc/35/08/83/635350883.db2.gz KVGBIAJIBWJBEH-HOTGVXAUSA-N 1 0 288.435 3.286 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CC[C@@H](c3cccnc3)C2)c1O ZINC000842624355 635421786 /nfs/dbraw/zinc/42/17/86/635421786.db2.gz YZEMYROWOGNFFW-OAHLLOKOSA-N 1 0 298.386 3.094 20 10 CGCDRO C[N@@H+](Cc1ccccc1O)C[C@H]1CCC(C)(C)CO1 ZINC000878242330 635429134 /nfs/dbraw/zinc/42/91/34/635429134.db2.gz OTTHNDHRDCCOEZ-CQSZACIVSA-N 1 0 263.381 3.029 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(CO)cc2)c(O)c1C ZINC000842895946 635508825 /nfs/dbraw/zinc/50/88/25/635508825.db2.gz QWAKIZDECICTTC-AWEZNQCLSA-N 1 0 285.387 3.352 20 10 CGCDRO Cc1cccc(CN2CCCc3cc(C[NH3+])ccc32)c1O ZINC000843058614 635553362 /nfs/dbraw/zinc/55/33/62/635553362.db2.gz WXUKNXHFJJZARH-UHFFFAOYSA-N 1 0 282.387 3.112 20 10 CGCDRO Cc1cc(Cl)cc(CN[C@@H]2CC[NH2+]C23CCCC3)c1O ZINC000843127852 635562494 /nfs/dbraw/zinc/56/24/94/635562494.db2.gz JFOCULCICMWARS-CQSZACIVSA-N 1 0 294.826 3.118 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)c1O ZINC000843416010 635663063 /nfs/dbraw/zinc/66/30/63/635663063.db2.gz FZHAFJWBEAWIGZ-HZPDHXFCSA-N 1 0 275.392 3.092 20 10 CGCDRO Cc1cccc(C[N@@H+]2CC[C@H](c3cccnc3)C2)c1O ZINC000843419994 635665414 /nfs/dbraw/zinc/66/54/14/635665414.db2.gz XWNDEXOKXAMIRC-HNNXBMFYSA-N 1 0 268.360 3.085 20 10 CGCDRO COc1cc(C[N@@H+]2CCC[C@@H](OC(C)C)C2)c(O)cc1C ZINC000844718469 635956727 /nfs/dbraw/zinc/95/67/27/635956727.db2.gz VRAQVTQQILAVED-OAHLLOKOSA-N 1 0 293.407 3.099 20 10 CGCDRO CC[C@@H]1COC(C)(C)C[N@@H+]1Cc1cc(OC)c(C)cc1O ZINC000844723236 635957403 /nfs/dbraw/zinc/95/74/03/635957403.db2.gz LPSHWNSGDNHFKG-CQSZACIVSA-N 1 0 293.407 3.099 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CNc2ccccc2C1)c1cc(F)ccc1O ZINC000844922055 635985281 /nfs/dbraw/zinc/98/52/81/635985281.db2.gz ZTEBQEKUVWDARE-RISCZKNCSA-N 1 0 286.350 3.219 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CCC23CCCC3)c1O ZINC000845998246 636127795 /nfs/dbraw/zinc/12/77/95/636127795.db2.gz AQYJESZMUHKPJP-UHFFFAOYSA-N 1 0 261.365 3.309 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CCC23CCCC3)c(O)c1 ZINC000845999811 636128292 /nfs/dbraw/zinc/12/82/92/636128292.db2.gz KLNYKCHEOUDVFG-UHFFFAOYSA-N 1 0 261.365 3.309 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H](C)[C@@](C)(O)c2ccccc2)cc1C ZINC000846039288 636135340 /nfs/dbraw/zinc/13/53/40/636135340.db2.gz QNQIIZAREBHMPB-HNAYVOBHSA-N 1 0 299.414 3.395 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@]3(CC3(F)F)C2)c1 ZINC000846106364 636144065 /nfs/dbraw/zinc/14/40/65/636144065.db2.gz AIBQMGFNVNWWEO-AWEZNQCLSA-N 1 0 267.319 3.322 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000846107439 636144447 /nfs/dbraw/zinc/14/44/47/636144447.db2.gz HEOSYQMUVMERKD-CQSZACIVSA-N 1 0 283.318 3.022 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]CCc2csc(C)n2)c1O ZINC000846138317 636148888 /nfs/dbraw/zinc/14/88/88/636148888.db2.gz JOLGVIRXQWOYHN-JTQLQIEISA-N 1 0 292.404 3.059 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+][C@H](C)Cc2ccco2)c1O ZINC000846139568 636148977 /nfs/dbraw/zinc/14/89/77/636148977.db2.gz VYUXUNOPLFHPTE-VXGBXAGGSA-N 1 0 275.348 3.276 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@]2(C)CCCS2)c1O ZINC000846144350 636149108 /nfs/dbraw/zinc/14/91/08/636149108.db2.gz CKPWLYRMEFQLNT-IAQYHMDHSA-N 1 0 281.421 3.337 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+][C@H](C)CCSC)c1O ZINC000846145855 636149728 /nfs/dbraw/zinc/14/97/28/636149728.db2.gz PKWMZCATWJGZIX-GHMZBOCLSA-N 1 0 269.410 3.193 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CC(C)(C)OC2(C)C)c1O ZINC000846164909 636151372 /nfs/dbraw/zinc/15/13/72/636151372.db2.gz ZWYQXEIYZMVMCC-SMDDNHRTSA-N 1 0 293.407 3.398 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2C[C@H]2C(C)C)c1O ZINC000846167777 636151838 /nfs/dbraw/zinc/15/18/38/636151838.db2.gz DMLQTPDOYJHANZ-OBJOEFQTSA-N 1 0 263.381 3.344 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@H](C)C2(OC)CCC2)c1O ZINC000846171051 636152997 /nfs/dbraw/zinc/15/29/97/636152997.db2.gz CTEKLTUPAKBEBC-NWDGAFQWSA-N 1 0 279.380 3.009 20 10 CGCDRO C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)c1ccc(Cl)cc1O ZINC000846190560 636156849 /nfs/dbraw/zinc/15/68/49/636156849.db2.gz REUSAFYTNQJSSM-PFEFGLNJSA-N 1 0 267.756 3.016 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](c3ccncc3)C2)cc1 ZINC000846907445 636278872 /nfs/dbraw/zinc/27/88/72/636278872.db2.gz GWOMWDKHDDONOL-KRWDZBQOSA-N 1 0 281.403 3.137 20 10 CGCDRO COCC1(C[NH2+]Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000848564043 636607850 /nfs/dbraw/zinc/60/78/50/636607850.db2.gz AHBQYSJDEDEOID-UHFFFAOYSA-N 1 0 288.435 3.193 20 10 CGCDRO COc1ccc(N2CCC([NH2+]C[C@@H]3C=CCC3)CC2)cc1 ZINC000883238212 636608065 /nfs/dbraw/zinc/60/80/65/636608065.db2.gz VSMBQEGPDVPLET-OAHLLOKOSA-N 1 0 286.419 3.220 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCCN2CCCC[C@@H]12)c1ccccc1O ZINC000848568721 636611553 /nfs/dbraw/zinc/61/15/53/636611553.db2.gz PEPQALHZLOXJME-BPUTZDHNSA-N 1 0 274.408 3.060 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCCN2CCCC[C@H]12)c1ccccc1O ZINC000848568724 636611829 /nfs/dbraw/zinc/61/18/29/636611829.db2.gz PEPQALHZLOXJME-NUEKZKHPSA-N 1 0 274.408 3.060 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CC[C@H](C)C2)c1O ZINC000131287484 636612233 /nfs/dbraw/zinc/61/22/33/636612233.db2.gz STWOHYYIKKQIJG-JOYOIKCWSA-N 1 0 269.772 3.332 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCc2ccns2)c(O)c1 ZINC000883247454 636616109 /nfs/dbraw/zinc/61/61/09/636616109.db2.gz KRTXXLYKYBWYOH-GFCCVEGCSA-N 1 0 276.405 3.359 20 10 CGCDRO CC[C@H]([NH2+]CCc1ccns1)c1ccc(N(C)C)cc1 ZINC000883248436 636619043 /nfs/dbraw/zinc/61/90/43/636619043.db2.gz SQHOKSOHYLXFEP-INIZCTEOSA-N 1 0 289.448 3.493 20 10 CGCDRO CCc1cccc(C[NH2+]CCCOCC(F)(F)F)c1O ZINC000848892614 636678934 /nfs/dbraw/zinc/67/89/34/636678934.db2.gz BUOXFEFIMLNWCE-UHFFFAOYSA-N 1 0 291.313 3.013 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H]2CCC[C@H]3OCC[C@@H]32)c1O ZINC000848897405 636679720 /nfs/dbraw/zinc/67/97/20/636679720.db2.gz IFJVTMOBJXYMMW-BZUAXINKSA-N 1 0 275.392 3.002 20 10 CGCDRO CCc1cccc(C[NH2+][C@H](CO)[C@H](C)c2ccccc2)c1O ZINC000848897944 636680983 /nfs/dbraw/zinc/68/09/83/636680983.db2.gz WWQDYNQINZWGDQ-RDTXWAMCSA-N 1 0 299.414 3.209 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H](CCO)C2CCCCC2)c1O ZINC000848900503 636681694 /nfs/dbraw/zinc/68/16/94/636681694.db2.gz MSKCHMIURVFPGL-KRWDZBQOSA-N 1 0 291.435 3.376 20 10 CGCDRO CCc1cccc(C[NH2+]CCc2ccc3c[nH]nc3c2)c1O ZINC000848909009 636686377 /nfs/dbraw/zinc/68/63/77/636686377.db2.gz IBUSIYMAPVRCJV-UHFFFAOYSA-N 1 0 295.386 3.163 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H]2CCCC[C@H]2OC)c1O ZINC000848920154 636691378 /nfs/dbraw/zinc/69/13/78/636691378.db2.gz YTBFJVOMNMXUMK-HUUCEWRRSA-N 1 0 263.381 3.002 20 10 CGCDRO CCN1CC[C@@H]1C[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000883355562 636697735 /nfs/dbraw/zinc/69/77/35/636697735.db2.gz UHGZZWUZMPNAHX-UKRRQHHQSA-N 1 0 284.403 3.290 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCC[C@]23CCCO3)cc1F ZINC000883371092 636712567 /nfs/dbraw/zinc/71/25/67/636712567.db2.gz YOZZEUKXWLWHEY-SJORKVTESA-N 1 0 292.398 3.083 20 10 CGCDRO COc1ccc(O)c(C[N@H+](C)[C@H]2CCC[C@@H](C)C2)c1 ZINC000132739444 636833490 /nfs/dbraw/zinc/83/34/90/636833490.db2.gz DUIWVBZFTIWKBB-OCCSQVGLSA-N 1 0 263.381 3.411 20 10 CGCDRO CCOc1cccc(C[N@H+](CCOC)C(CC)CC)c1O ZINC000133493545 636904783 /nfs/dbraw/zinc/90/47/83/636904783.db2.gz PGGMCHYIPQQQJK-UHFFFAOYSA-N 1 0 295.423 3.428 20 10 CGCDRO CCOC[C@H](C)[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850254961 636997178 /nfs/dbraw/zinc/99/71/78/636997178.db2.gz YDDARCSXSHJULP-LBPRGKRZSA-N 1 0 295.423 3.213 20 10 CGCDRO Oc1ccccc1C[NH2+]Cc1cc2ccccc2o1 ZINC000134227315 637007426 /nfs/dbraw/zinc/00/74/26/637007426.db2.gz BAKKEUYPLJSFJK-UHFFFAOYSA-N 1 0 253.301 3.428 20 10 CGCDRO COCC1([NH2+]Cc2cc(C)c(C)cc2O)CCCC1 ZINC000850344996 637022140 /nfs/dbraw/zinc/02/21/40/637022140.db2.gz FKGOXPVOGADBFC-UHFFFAOYSA-N 1 0 263.381 3.058 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H](CC)COCC2CC2)c1O ZINC000850349880 637022928 /nfs/dbraw/zinc/02/29/28/637022928.db2.gz LRDKJRZPUVAYAF-HNNXBMFYSA-N 1 0 293.407 3.086 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+]CC3(C)CCC3)C2)cc1 ZINC000850346327 637022956 /nfs/dbraw/zinc/02/29/56/637022956.db2.gz FHCFDJCUHNORFN-AWEZNQCLSA-N 1 0 274.408 3.054 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1ccc(Br)cc1O ZINC000134915405 637050104 /nfs/dbraw/zinc/05/01/04/637050104.db2.gz GZMRRGFGVLBUGR-UTLUCORTSA-N 1 0 284.197 3.461 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@@H]2CCOC2(C)C)cc1 ZINC000850409166 637051810 /nfs/dbraw/zinc/05/18/10/637051810.db2.gz MQWSEKKKAHGKFY-JFDDCEBESA-N 1 0 288.435 3.171 20 10 CGCDRO Fc1ccc2c(c1)C[C@@H]1[C@H]([NH2+]Cc3ccc4c(c3)CCO4)[C@H]21 ZINC000850409735 637052869 /nfs/dbraw/zinc/05/28/69/637052869.db2.gz ZJVGWFBKEISHKR-UHOSZYNNSA-N 1 0 295.357 3.189 20 10 CGCDRO COC1([C@H](C)[NH2+]Cc2ccc3c(c2)CCCN3C)CCC1 ZINC000850429241 637058052 /nfs/dbraw/zinc/05/80/52/637058052.db2.gz AQYXMGGUMJCJHK-AWEZNQCLSA-N 1 0 288.435 3.116 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)C3CCC3)C2)cc1 ZINC000850487567 637088202 /nfs/dbraw/zinc/08/82/02/637088202.db2.gz IHKZDISTTWJUIB-ZFWWWQNUSA-N 1 0 274.408 3.052 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+]C3CC(C)(C)C3)C2)cc1 ZINC000850488616 637088917 /nfs/dbraw/zinc/08/89/17/637088917.db2.gz NVQNJMJCRFLGDZ-ZDUSSCGKSA-N 1 0 274.408 3.052 20 10 CGCDRO CC[C@H](COCC1CC1)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000850495232 637091328 /nfs/dbraw/zinc/09/13/28/637091328.db2.gz YNZBNLIEXZLQAI-HUUCEWRRSA-N 1 0 275.392 3.174 20 10 CGCDRO CC[C@H]([NH2+]C/C=C/CO)c1ccc(C(F)(F)F)cc1O ZINC000850506917 637094443 /nfs/dbraw/zinc/09/44/43/637094443.db2.gz CNFYTWQFVZDYMN-PCAWENJQSA-N 1 0 289.297 3.000 20 10 CGCDRO C[C@H]([NH2+]C/C=C/CO)c1ccc(N2CCCCC2)c(F)c1 ZINC000850509108 637095229 /nfs/dbraw/zinc/09/52/29/637095229.db2.gz PHEAGWHTALSPPD-ZRFDWSJLSA-N 1 0 292.398 3.015 20 10 CGCDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccccc2O)C12CCCC2 ZINC000135237953 637098337 /nfs/dbraw/zinc/09/83/37/637098337.db2.gz SURKRBXTLWYKGY-CVEARBPZSA-N 1 0 275.392 3.220 20 10 CGCDRO CC(C)C[C@@H](CO)[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000850522798 637100845 /nfs/dbraw/zinc/10/08/45/637100845.db2.gz MGKGREKWLHSCHM-GVXVVHGQSA-N 1 0 281.371 3.076 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCc2ccoc2)c(O)c1C ZINC000850530805 637108420 /nfs/dbraw/zinc/10/84/20/637108420.db2.gz CZHMKJKFWJSNMN-CYBMUJFWSA-N 1 0 259.349 3.495 20 10 CGCDRO CCSCC[C@@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000135291408 637109787 /nfs/dbraw/zinc/10/97/87/637109787.db2.gz WAXGBJDGLZAOQZ-GFCCVEGCSA-N 1 0 265.422 3.243 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@]23OCCC[C@H]2C3(F)F)c1 ZINC000850533347 637110610 /nfs/dbraw/zinc/11/06/10/637110610.db2.gz WKNAIXXJLAMQMA-GLQYFDAESA-N 1 0 297.345 3.166 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]C[C@]2(C)CC2(F)F)c1O ZINC000850538005 637113779 /nfs/dbraw/zinc/11/37/79/637113779.db2.gz ZUHCGYUPKCTUCG-RNCFNFMXSA-N 1 0 271.307 3.097 20 10 CGCDRO C[C@H]([NH2+]C[C@H](CO)CC1CC1)c1cc(Cl)ccc1O ZINC000850544770 637115557 /nfs/dbraw/zinc/11/55/57/637115557.db2.gz JSVSIMPOGCDVCA-CMPLNLGQSA-N 1 0 283.799 3.105 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)CN2CCC(C)CC2)c(O)c1 ZINC000850543795 637116060 /nfs/dbraw/zinc/11/60/60/637116060.db2.gz QGXDGQUPBZAPNP-JKSUJKDBSA-N 1 0 290.451 3.472 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCc2cncc(C)n2)c(O)c1 ZINC000850551793 637117682 /nfs/dbraw/zinc/11/76/82/637117682.db2.gz VIQQELAPUIPSLO-CQSZACIVSA-N 1 0 285.391 3.001 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)c1nccn1C)c1ccc(C)cc1O ZINC000850572857 637129976 /nfs/dbraw/zinc/12/99/76/637129976.db2.gz PRJBWPXPBBUCRM-OCCSQVGLSA-N 1 0 273.380 3.236 20 10 CGCDRO CC[C@H]1CCCCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000135644776 637150152 /nfs/dbraw/zinc/15/01/52/637150152.db2.gz RUSNZILWAHDIOO-ZDUSSCGKSA-N 1 0 277.364 3.276 20 10 CGCDRO C[C@H]1CCCC[C@H]1OCC[N@H+](C)Cc1ccccc1O ZINC000109771513 637268155 /nfs/dbraw/zinc/26/81/55/637268155.db2.gz RFLVZFQAMSTFIL-WMLDXEAASA-N 1 0 277.408 3.419 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCCC(C)(C)C2)c1 ZINC000136144053 637290397 /nfs/dbraw/zinc/29/03/97/637290397.db2.gz BLLWZVSMKIWWRG-CYBMUJFWSA-N 1 0 263.381 3.459 20 10 CGCDRO CO[C@@H](C[N@H+](C)Cc1ccccc1O)C1CCCC1 ZINC000851841607 637519810 /nfs/dbraw/zinc/51/98/10/637519810.db2.gz VQHYFQZWSLHHMK-INIZCTEOSA-N 1 0 263.381 3.029 20 10 CGCDRO Cc1cc(C[N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)ccc1N(C)C ZINC000886818648 637705330 /nfs/dbraw/zinc/70/53/30/637705330.db2.gz HRSFBKKEZYRPEA-WMZOPIPTSA-N 1 0 288.435 3.062 20 10 CGCDRO CCn1nccc1C[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000853240686 637790826 /nfs/dbraw/zinc/79/08/26/637790826.db2.gz RAUAFTJABJKPNH-ZDUSSCGKSA-N 1 0 273.380 3.076 20 10 CGCDRO COc1cccc(C[NH2+]C[C@H]2CCc3ccccc32)c1O ZINC000111390670 637861894 /nfs/dbraw/zinc/86/18/94/637861894.db2.gz XOMKCAIDFSWCPG-CQSZACIVSA-N 1 0 283.371 3.220 20 10 CGCDRO C[N@H+](CC1=CCSC1)Cc1cc2c(cc1O)CCCC2 ZINC000853620588 637874452 /nfs/dbraw/zinc/87/44/52/637874452.db2.gz WCARAKWAVQISRA-UHFFFAOYSA-N 1 0 289.444 3.376 20 10 CGCDRO Cc1cc(N(C)C)ccc1CN[C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925498332 638244052 /nfs/dbraw/zinc/24/40/52/638244052.db2.gz OKOHVPWXKIMWJB-DNVCBOLYSA-N 1 0 297.446 3.239 20 10 CGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]3CCCC[C@@H]31)OCO2 ZINC000007142790 638247745 /nfs/dbraw/zinc/24/77/45/638247745.db2.gz WMZFNEJSAPQZMB-JSGCOSHPSA-N 1 0 289.375 3.276 20 10 CGCDRO CC(C)[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000924863522 638417825 /nfs/dbraw/zinc/41/78/25/638417825.db2.gz YSVHYTOPNOHIKW-GOEBONIOSA-N 1 0 294.414 3.042 20 10 CGCDRO COc1ccc(C[NH2+]C2CC3(C2)CO[C@H](C)C3)cc1C ZINC000924903392 638422702 /nfs/dbraw/zinc/42/27/02/638422702.db2.gz UCFAALSGFXHDIC-BZOOQXSSSA-N 1 0 275.392 3.051 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)C1(Br)CC1 ZINC000924901234 638422745 /nfs/dbraw/zinc/42/27/45/638422745.db2.gz RAVNBKFGKBVTTH-SNVBAGLBSA-N 1 0 296.208 3.027 20 10 CGCDRO CC[C@H]([NH2+]CCC(C)(C)[NH3+])c1cccc(Cl)c1[O-] ZINC000925738638 638592148 /nfs/dbraw/zinc/59/21/48/638592148.db2.gz RQFNAYOCHIUPGU-LBPRGKRZSA-N 1 0 270.804 3.214 20 10 CGCDRO CC(C)C1([NH2+]Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000858167596 638648444 /nfs/dbraw/zinc/64/84/44/638648444.db2.gz FMZLWDLSTDMFEW-UHFFFAOYSA-N 1 0 268.351 3.309 20 10 CGCDRO CC(C)CC[C@@H](CO)[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000858486264 638737322 /nfs/dbraw/zinc/73/73/22/638737322.db2.gz SQWIBXKDPXBQIP-YPMHNXCESA-N 1 0 285.815 3.493 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c(O)c1C ZINC000858490084 638739751 /nfs/dbraw/zinc/73/97/51/638739751.db2.gz BAWFSWNVJQZOFA-CVEARBPZSA-N 1 0 290.451 3.392 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@]23CCC[C@H]2OCC3)c1 ZINC000926916915 638824961 /nfs/dbraw/zinc/82/49/61/638824961.db2.gz URBRLJZUOPQCPE-JCURWCKSSA-N 1 0 291.391 3.011 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@@H]1CCCC3(CCC3)O1)CC2 ZINC000927009344 638830967 /nfs/dbraw/zinc/83/09/67/638830967.db2.gz BZRKBYXHUYEUSI-GJZGRUSLSA-N 1 0 287.403 3.461 20 10 CGCDRO C[C@@H]([NH2+]Cc1cccc2c1OCC2)c1cc(F)ccc1O ZINC000927092164 638840382 /nfs/dbraw/zinc/84/03/82/638840382.db2.gz YXMYSFPHMWTYHQ-LLVKDONJSA-N 1 0 287.334 3.317 20 10 CGCDRO COC[C@H](C[NH2+][C@@H](C)c1cc(F)ccc1O)C(C)C ZINC000927096511 638841200 /nfs/dbraw/zinc/84/12/00/638841200.db2.gz LYZQBLJWUFHJRF-RYUDHWBXSA-N 1 0 269.360 3.101 20 10 CGCDRO COc1cccc(C[N@H+](C)Cc2ccccc2O)c1C ZINC000929969797 638964981 /nfs/dbraw/zinc/96/49/81/638964981.db2.gz DCJUKXCYBAHMAM-UHFFFAOYSA-N 1 0 271.360 3.341 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2ccc(F)nc2)c1 ZINC000930215284 638983441 /nfs/dbraw/zinc/98/34/41/638983441.db2.gz SDXBEAVIVAFNFT-GHMZBOCLSA-N 1 0 290.338 3.347 20 10 CGCDRO CO[C@H]1C[C@H]([NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)C1 ZINC000858583461 638997891 /nfs/dbraw/zinc/99/78/91/638997891.db2.gz BZKQSCOKHGKEMB-DLOVCJGASA-N 1 0 269.772 3.182 20 10 CGCDRO C[C@H]([NH2+]CCN1CCCCCC1)c1ccc(N(C)C)cc1 ZINC000040767831 639896215 /nfs/dbraw/zinc/89/62/15/639896215.db2.gz SFGRSLRIMGQJNW-INIZCTEOSA-N 1 0 289.467 3.279 20 10 CGCDRO C[C@H]([NH2+]Cc1cc[nH]n1)c1ccc2ccccc2c1O ZINC000041014133 639898471 /nfs/dbraw/zinc/89/84/71/639898471.db2.gz IUYVOXZHCYIHQX-NSHDSACASA-N 1 0 267.332 3.119 20 10 CGCDRO CCOC(=O)C[C@@](C)([NH2+]Cc1cccc(C)c1O)C(C)C ZINC000187705840 640094704 /nfs/dbraw/zinc/09/47/04/640094704.db2.gz LNNNRHYQYCYDMK-QGZVFWFLSA-N 1 0 293.407 3.158 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCC(C)(C)O2)c1 ZINC000187856964 640102446 /nfs/dbraw/zinc/10/24/46/640102446.db2.gz UDBGGKMTFBINQN-OLZOCXBDSA-N 1 0 263.381 3.309 20 10 CGCDRO CCOc1cccc(C[NH2+]C[C@](C)(O)CCC(C)C)c1O ZINC000077456134 640240240 /nfs/dbraw/zinc/24/02/40/640240240.db2.gz SHYFNCGPHCWCJF-QGZVFWFLSA-N 1 0 295.423 3.068 20 10 CGCDRO CC[C@]1(C)C[N@H+](Cc2cc(C)c(C)cc2O)CCO1 ZINC000190350661 640242265 /nfs/dbraw/zinc/24/22/65/640242265.db2.gz CAXYTJIDUBLTKB-MRXNPFEDSA-N 1 0 263.381 3.010 20 10 CGCDRO C[C@@H]1CCC[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)CC1 ZINC000191112265 640290126 /nfs/dbraw/zinc/29/01/26/640290126.db2.gz OXKACRXRNBYBCT-YPMHNXCESA-N 1 0 277.364 3.179 20 10 CGCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)CC1CCCC1 ZINC000078449715 640314352 /nfs/dbraw/zinc/31/43/52/640314352.db2.gz QSHBXTHZGZLMOK-UHFFFAOYSA-N 1 0 288.435 3.145 20 10 CGCDRO C[C@H](CN1CCCCC1)[NH2+]Cc1c(O)cccc1Cl ZINC000083551840 640596827 /nfs/dbraw/zinc/59/68/27/640596827.db2.gz VQWQRKYQENTLRN-GFCCVEGCSA-N 1 0 282.815 3.010 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCSC(C)(C)C2)cc1C ZINC000083630707 640598186 /nfs/dbraw/zinc/59/81/86/640598186.db2.gz NGDVZZUGMPWHBL-UHFFFAOYSA-N 1 0 265.422 3.336 20 10 CGCDRO CC[C@@H](C)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000088510819 640619106 /nfs/dbraw/zinc/61/91/06/640619106.db2.gz DTGUTOFEYVDUCN-ZBFHGGJFSA-N 1 0 277.408 3.419 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H]2C(=O)OC(C)(C)C)c1 ZINC000093102603 640757256 /nfs/dbraw/zinc/75/72/56/640757256.db2.gz AXRYQFCUWIFQPO-AWEZNQCLSA-N 1 0 291.391 3.007 20 10 CGCDRO C[C@H]([NH2+]CCc1ccccc1)c1cc(F)ccc1O ZINC000094616691 640798838 /nfs/dbraw/zinc/79/88/38/640798838.db2.gz DHUZJYJKHOHFHZ-LBPRGKRZSA-N 1 0 259.324 3.425 20 10 CGCDRO CC[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000096810835 640839148 /nfs/dbraw/zinc/83/91/48/640839148.db2.gz ITNOFUOKXQRUAK-LBPRGKRZSA-N 1 0 277.364 3.133 20 10 CGCDRO C[C@H]1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000252971922 640866885 /nfs/dbraw/zinc/86/68/85/640866885.db2.gz YTKGCILIQDUWNB-JCNLHEQBSA-N 1 0 288.435 3.192 20 10 CGCDRO C[C@@H]([NH2+]CC1(CO)CC1)c1ccc(N2CCCCC2)cc1 ZINC000305111941 640882555 /nfs/dbraw/zinc/88/25/55/640882555.db2.gz DEKPISDYIJUODJ-OAHLLOKOSA-N 1 0 288.435 3.100 20 10 CGCDRO O=C(c1ccccc1)c1ccccc1NC1=CCC[NH2+]C1 ZINC001159477162 806109843 /nfs/dbraw/zinc/10/98/43/806109843.db2.gz HHSGBSOWYWDTIT-UHFFFAOYSA-N 1 0 278.355 3.207 20 10 CGCDRO [NH3+]Cc1ccc(Nc2ccc3c(c2)CCCN3)cc1 ZINC001159484232 806111324 /nfs/dbraw/zinc/11/13/24/806111324.db2.gz PORJUFQNUPHXBT-UHFFFAOYSA-N 1 0 253.349 3.247 20 10 CGCDRO [NH3+]CCc1ccc(Nc2ccc3c(c2)CCCN3)cc1 ZINC001159639730 806139162 /nfs/dbraw/zinc/13/91/62/806139162.db2.gz DJKSBRMSLZOVST-UHFFFAOYSA-N 1 0 267.376 3.290 20 10 CGCDRO O=C1c2ccccc2-c2cccc(NC3=CCC[NH2+]C3)c21 ZINC001159783248 806172879 /nfs/dbraw/zinc/17/28/79/806172879.db2.gz GJESTMHRDQYMEQ-UHFFFAOYSA-N 1 0 276.339 3.187 20 10 CGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC001254721178 806487267 /nfs/dbraw/zinc/48/72/67/806487267.db2.gz LMQIAKPZHJPHBA-BYNSBNAKSA-N 1 0 289.419 3.390 20 10 CGCDRO CO[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)C1 ZINC001255615814 806681669 /nfs/dbraw/zinc/68/16/69/806681669.db2.gz FAMBUKVMVFLTCT-KQXIARHKSA-N 1 0 279.355 3.237 20 10 CGCDRO C[C@@H](Cc1ccco1)[NH2+]Cc1cc(Cl)ccc1O ZINC000036993983 798853768 /nfs/dbraw/zinc/85/37/68/798853768.db2.gz PJTSPCNEYWZUOC-JTQLQIEISA-N 1 0 265.740 3.359 20 10 CGCDRO CCN(CC)c1ccc(CN2CCC([NH+](C)C)CC2)cc1 ZINC000091671886 798954729 /nfs/dbraw/zinc/95/47/29/798954729.db2.gz CEPQABUSQRIQKN-UHFFFAOYSA-N 1 0 289.467 3.059 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CC1CCOCC1 ZINC000111154280 798983552 /nfs/dbraw/zinc/98/35/52/798983552.db2.gz JFTPIBISSBXZJH-TZMCWYRMSA-N 1 0 275.392 3.265 20 10 CGCDRO COCC[N@@H+](Cc1cc(C)c(C)cc1O)CC(C)C ZINC000124536001 798997347 /nfs/dbraw/zinc/99/73/47/798997347.db2.gz GMJBRWNWLVIQGY-UHFFFAOYSA-N 1 0 265.397 3.113 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@]2(O)CCC[C@@H]2C)cc1 ZINC000328229406 799250309 /nfs/dbraw/zinc/25/03/09/799250309.db2.gz CLQMBLUCCGIAQW-MAUKXSAKSA-N 1 0 290.451 3.174 20 10 CGCDRO CCOc1cccc(C[NH2+]CC2=CCCCC2)c1O ZINC000379587817 799351135 /nfs/dbraw/zinc/35/11/35/799351135.db2.gz NCAFGUQVXJDYRK-UHFFFAOYSA-N 1 0 261.365 3.381 20 10 CGCDRO CC[C@@H](C)[C@@H](C[NH2+]Cc1cc(Cl)ccc1O)OC ZINC000381136754 799372986 /nfs/dbraw/zinc/37/29/86/799372986.db2.gz IKZYMEJYPQAISM-QMTHXVAHSA-N 1 0 271.788 3.196 20 10 CGCDRO CCOc1cccc(C[NH2+][C@H]2CCC(F)(F)C2)c1O ZINC000382026738 799391414 /nfs/dbraw/zinc/39/14/14/799391414.db2.gz QQJBBTLRYCUPOP-NSHDSACASA-N 1 0 271.307 3.068 20 10 CGCDRO C[C@@H](CC(C)(C)C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000385070286 799422281 /nfs/dbraw/zinc/42/22/81/799422281.db2.gz DOQOTUJBCQQKLU-HNNXBMFYSA-N 1 0 290.451 3.438 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2COc3ccccc3O2)c(O)c1 ZINC000386195317 799432693 /nfs/dbraw/zinc/43/26/93/799432693.db2.gz IZZSXRYTUONHRG-UONOGXRCSA-N 1 0 299.370 3.191 20 10 CGCDRO CCC[C@@]1([NH2+]Cc2cc(Cl)ccc2O)CCOC1 ZINC000393469630 799487940 /nfs/dbraw/zinc/48/79/40/799487940.db2.gz FFTKDFNIFQLEQF-CQSZACIVSA-N 1 0 269.772 3.094 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+][C@H]2CS[C@@H](C)C2)c1O ZINC000397770274 799520262 /nfs/dbraw/zinc/52/02/62/799520262.db2.gz ACHFYFNHSZJWJU-GZMMTYOYSA-N 1 0 287.812 3.038 20 10 CGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]CCC1(O)CCC1 ZINC000397825062 799521150 /nfs/dbraw/zinc/52/11/50/799521150.db2.gz ISSWEMSQODWTRD-STQMWFEESA-N 1 0 275.392 3.144 20 10 CGCDRO CC(C)([NH2+]Cc1ccc(N2CCOCC2)cc1)C1CCC1 ZINC000398020199 799525709 /nfs/dbraw/zinc/52/57/09/799525709.db2.gz CQEJEUFSWVATFJ-UHFFFAOYSA-N 1 0 288.435 3.192 20 10 CGCDRO C[C@@H]([NH2+]CCCOC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000398154852 799526804 /nfs/dbraw/zinc/52/68/04/799526804.db2.gz WEIIHGMQFIWFCB-LLVKDONJSA-N 1 0 290.329 3.330 20 10 CGCDRO COc1cc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)sn1 ZINC000399173340 799535704 /nfs/dbraw/zinc/53/57/04/799535704.db2.gz METRUEGPIZYUTM-NSHDSACASA-N 1 0 291.420 3.069 20 10 CGCDRO CO[C@H]1CC[C@@H](C)[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000687212156 799737670 /nfs/dbraw/zinc/73/76/70/799737670.db2.gz HLLSNRHARVFIOD-MFKMUULPSA-N 1 0 269.772 3.045 20 10 CGCDRO CC[N@H+](CCC(F)(F)F)Cc1cccc(C)c1O ZINC000688500357 799748447 /nfs/dbraw/zinc/74/84/47/799748447.db2.gz NEGWCVVGJLXDNI-UHFFFAOYSA-N 1 0 261.287 3.475 20 10 CGCDRO COc1ccc(C[NH2+]C[C@H]2CCC[C@@H](C)O2)cc1C ZINC000688878139 799757064 /nfs/dbraw/zinc/75/70/64/799757064.db2.gz KZXKYSXCKSAZAN-UKRRQHHQSA-N 1 0 263.381 3.051 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](CCF)C2)c1 ZINC000689870027 799769740 /nfs/dbraw/zinc/76/97/40/799769740.db2.gz YZTJQLCTEHAKTD-ZDUSSCGKSA-N 1 0 251.345 3.272 20 10 CGCDRO Oc1ccc(Br)cc1C[NH+]1CCC(F)CC1 ZINC000689909663 799770427 /nfs/dbraw/zinc/77/04/27/799770427.db2.gz RCIJCQPETBLXBP-UHFFFAOYSA-N 1 0 288.160 3.089 20 10 CGCDRO C[C@@H](C[NH2+]Cc1ccc(Br)cc1O)C1CC1 ZINC000691428968 799784083 /nfs/dbraw/zinc/78/40/83/799784083.db2.gz UIEDUCZRYXJUDV-VIFPVBQESA-N 1 0 284.197 3.290 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@H](CC(C)C)N(C)C)c1O ZINC000691472445 799783660 /nfs/dbraw/zinc/78/36/60/799783660.db2.gz DGUXCQUQJMKMNV-INIZCTEOSA-N 1 0 278.440 3.021 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H]2CCC(F)(F)C2)c1O ZINC000691496224 799785021 /nfs/dbraw/zinc/78/50/21/799785021.db2.gz VJUGPRGRNGXAEF-GFCCVEGCSA-N 1 0 255.308 3.232 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@@H](C)c2ccccn2)c1O ZINC000692760407 799799278 /nfs/dbraw/zinc/79/92/78/799799278.db2.gz YOROYBMYUSCQGL-CYBMUJFWSA-N 1 0 270.376 3.243 20 10 CGCDRO COc1cccc(C[NH2+]CC2CCC(F)(F)CC2)c1O ZINC000693398315 799810796 /nfs/dbraw/zinc/81/07/96/799810796.db2.gz CPCIOBCVFONWMQ-UHFFFAOYSA-N 1 0 285.334 3.316 20 10 CGCDRO COc1cccc(C[NH2+][C@H]2CCCC[C@@H]2C2CC2)c1O ZINC000695889621 799835776 /nfs/dbraw/zinc/83/57/76/799835776.db2.gz FPFVZFUJHSNPMU-CABCVRRESA-N 1 0 275.392 3.459 20 10 CGCDRO CC[C@H]1COC[C@H]1[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC000699524541 799862806 /nfs/dbraw/zinc/86/28/06/799862806.db2.gz OZYFLFPYNWAUIE-DOTOQJQBSA-N 1 0 276.424 3.047 20 10 CGCDRO Oc1cc(Br)ccc1C[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000701092969 799884463 /nfs/dbraw/zinc/88/44/63/799884463.db2.gz LCNVTDXOXKMFCF-PEGIJTEDSA-N 1 0 282.181 3.043 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+][C@H]2CCCC23CC3)c1O ZINC000706938529 799970493 /nfs/dbraw/zinc/97/04/93/799970493.db2.gz VUWYLOUVIJZAMS-ZDUSSCGKSA-N 1 0 281.783 3.477 20 10 CGCDRO CC[C@H]([NH2+]C1CC(SC)C1)c1ccccc1O ZINC000708299352 799985706 /nfs/dbraw/zinc/98/57/06/799985706.db2.gz FLMIVUBQIIBIIY-XIVSLSHWSA-N 1 0 251.395 3.327 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@H](C)c2nccs2)c1O ZINC000709445646 800007999 /nfs/dbraw/zinc/00/79/99/800007999.db2.gz MMBGYFQMUVNPSZ-NSHDSACASA-N 1 0 276.405 3.304 20 10 CGCDRO COCC1(C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3C)CC1 ZINC000709517619 800009586 /nfs/dbraw/zinc/00/95/86/800009586.db2.gz UZSXKOFYIREBMK-OLZOCXBDSA-N 1 0 275.392 3.265 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC3(CCC3)O2)c(O)c1 ZINC000711454226 800060490 /nfs/dbraw/zinc/06/04/90/800060490.db2.gz AQXBMLGOZGSGJY-KGLIPLIRSA-N 1 0 275.392 3.453 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@H](CF)C1 ZINC000711476700 800063809 /nfs/dbraw/zinc/06/38/09/800063809.db2.gz OTLLXWJGOZJMBZ-SNVBAGLBSA-N 1 0 257.736 3.227 20 10 CGCDRO CC1(C)CO[C@H](CC[NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000717260372 800199761 /nfs/dbraw/zinc/19/97/61/800199761.db2.gz FDOJEDVSWWGTNY-KGLIPLIRSA-N 1 0 275.392 3.174 20 10 CGCDRO CO[C@H]1CCC[C@@H]([NH2+]Cc2cc(C)ccc2O)CC1 ZINC000718355081 800216289 /nfs/dbraw/zinc/21/62/89/800216289.db2.gz WSEHPYTZBLPRRP-CABCVRRESA-N 1 0 263.381 3.138 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1CC[C@H](C2CC2)O1)c1ccccc1O ZINC000722319803 800313882 /nfs/dbraw/zinc/31/38/82/800313882.db2.gz GGRPUYJONVOEGV-DETPVDSQSA-N 1 0 261.365 3.000 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1CC[C@H](C2CC2)O1)c1cc(F)ccc1O ZINC000722338240 800315825 /nfs/dbraw/zinc/31/58/25/800315825.db2.gz UETRVEZURAHRSS-YNZJMPHRSA-N 1 0 279.355 3.140 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@@H]1CCCOC1 ZINC000723990754 800349118 /nfs/dbraw/zinc/34/91/18/800349118.db2.gz TUUVKNVUMJGKOD-NVXWUHKLSA-N 1 0 276.424 3.047 20 10 CGCDRO COc1cc(C[N@H+](C)C2CC(C)(C)C2)c(O)cc1C ZINC000840164771 800496137 /nfs/dbraw/zinc/49/61/37/800496137.db2.gz UKVUGCBSVUWMMF-UHFFFAOYSA-N 1 0 263.381 3.330 20 10 CGCDRO CCC[NH+](CCC)Cc1ccc(OC)c(OC)c1O ZINC000891449296 800562877 /nfs/dbraw/zinc/56/28/77/800562877.db2.gz RYZAOVRRHSKCIP-UHFFFAOYSA-N 1 0 267.369 3.031 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)Cc2cccc(=O)[nH]2)cc1 ZINC000897392790 800589349 /nfs/dbraw/zinc/58/93/49/800589349.db2.gz OCJUWOZGWRSMLO-UHFFFAOYSA-N 1 0 299.418 3.265 20 10 CGCDRO Cc1cccnc1C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC001116530088 802372846 /nfs/dbraw/zinc/37/28/46/802372846.db2.gz FGUKTNNWTLEUTH-UHFFFAOYSA-N 1 0 269.392 3.088 20 10 CGCDRO C[N@H+](Cc1cc(F)cc(F)c1)Cc1cc(F)ccc1O ZINC001116826270 802414898 /nfs/dbraw/zinc/41/48/98/802414898.db2.gz DTURKJMLPANVIF-UHFFFAOYSA-N 1 0 281.277 3.442 20 10 CGCDRO COc1ccc(CC[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cn1 ZINC001118864037 802612818 /nfs/dbraw/zinc/61/28/18/802612818.db2.gz AXVNUFSRWKLNCJ-AWEZNQCLSA-N 1 0 299.418 3.050 20 10 CGCDRO CS[C@@H]1CC[C@@H]([N@H+](C)Cc2ccc(C)cc2O)C1 ZINC001119237388 802636593 /nfs/dbraw/zinc/63/65/93/802636593.db2.gz UVTRQKRBCDGHSI-ZIAGYGMSSA-N 1 0 265.422 3.417 20 10 CGCDRO Cc1cc(C[NH+]2CCC(O)CC2)c(C)n1-c1ccccc1 ZINC001137854150 803783701 /nfs/dbraw/zinc/78/37/01/803783701.db2.gz KIRSAJMYNDLRMO-UHFFFAOYSA-N 1 0 284.403 3.051 20 10 CGCDRO CCO[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC001138220866 803874695 /nfs/dbraw/zinc/87/46/95/803874695.db2.gz QTQLHIKFSLINJB-GOSISDBHSA-N 1 0 288.435 3.288 20 10 CGCDRO Cc1c(CN2CC[C@H]([NH+]3CCCC3)C2)c2ccccc2n1C ZINC001138257056 803882376 /nfs/dbraw/zinc/88/23/76/803882376.db2.gz UKOZXSWFFWEEEZ-INIZCTEOSA-N 1 0 297.446 3.157 20 10 CGCDRO C[C@H]1C[C@@H](CF)[N@H+](Cc2ccc3c(c2)CCCN3C)C1 ZINC001138354479 803900416 /nfs/dbraw/zinc/90/04/16/803900416.db2.gz LGWXVJKZKXAGDC-BBRMVZONSA-N 1 0 276.399 3.249 20 10 CGCDRO CC1CC([N@H+](C)Cc2ccc3c(c2)CCCN3C)C1 ZINC001138354852 803900883 /nfs/dbraw/zinc/90/08/83/803900883.db2.gz WTPMIGKNZBAPBP-UHFFFAOYSA-N 1 0 258.409 3.299 20 10 CGCDRO CN1CCCc2cc(C[N@H+](CC3CC3)C3CC3)ccc21 ZINC001138359055 803903285 /nfs/dbraw/zinc/90/32/85/803903285.db2.gz IWAUWDOMOOQPKY-UHFFFAOYSA-N 1 0 270.420 3.443 20 10 CGCDRO Cc1ccc(C[C@H](C)[NH2+]CCc2ccc(N)cc2)cc1 ZINC001246462521 804344056 /nfs/dbraw/zinc/34/40/56/804344056.db2.gz AMUUHYVKUOELRC-HNNXBMFYSA-N 1 0 268.404 3.341 20 10 CGCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@H]3O[C@@H](C)C[C@H]3C2)c1O ZINC001140180234 804395747 /nfs/dbraw/zinc/39/57/47/804395747.db2.gz LRQLKIGBHNGMDU-OFQRWUPVSA-N 1 0 275.392 3.008 20 10 CGCDRO Cc1ccc(C)c(C[N@@H+](CCCCCO)C(C)C)c1O ZINC001140184684 804397815 /nfs/dbraw/zinc/39/78/15/804397815.db2.gz DVADXDJRJZXHJE-UHFFFAOYSA-N 1 0 279.424 3.382 20 10 CGCDRO Cc1ccc(C)c(C[N@@H+]2CCc3occc3C2)c1O ZINC001140184403 804398457 /nfs/dbraw/zinc/39/84/57/804398457.db2.gz SAZFQAGPNKCYTQ-UHFFFAOYSA-N 1 0 257.333 3.160 20 10 CGCDRO Cc1ccc(C)c(C[N@H+](C)Cc2cncs2)c1O ZINC001140184509 804399171 /nfs/dbraw/zinc/39/91/71/804399171.db2.gz XHYGPFCNPUGPQF-UHFFFAOYSA-N 1 0 262.378 3.098 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](c3ccccn3)C2)c1 ZINC001140621223 804476564 /nfs/dbraw/zinc/47/65/64/804476564.db2.gz RTNQKBSODPGGBT-OAHLLOKOSA-N 1 0 282.387 3.475 20 10 CGCDRO Cc1ccc(O)c(C[N@H+](C)CCC(=O)c2ccccc2)c1 ZINC001140621340 804476839 /nfs/dbraw/zinc/47/68/39/804476839.db2.gz XTPWPSVALYDMJR-UHFFFAOYSA-N 1 0 283.371 3.405 20 10 CGCDRO Cc1ccc(O)c(C[N@H+]2C[C@H]3c4ccccc4C(=O)[C@H]3C2)c1 ZINC001140619601 804477110 /nfs/dbraw/zinc/47/71/10/804477110.db2.gz IRIDHRWKSCVOLR-IRXDYDNUSA-N 1 0 293.366 3.113 20 10 CGCDRO Cc1c(O)ccc(C[N@H+]2CC[C@H](C)C(F)(F)CC2)c1O ZINC001140742791 804502895 /nfs/dbraw/zinc/50/28/95/804502895.db2.gz ZBSAIRSTELGWCX-JTQLQIEISA-N 1 0 285.334 3.273 20 10 CGCDRO Cc1c(O)ccc(C[N@H+](C)CCc2cccs2)c1O ZINC001140746105 804503453 /nfs/dbraw/zinc/50/34/53/804503453.db2.gz UYSHWUBSCQYYAH-UHFFFAOYSA-N 1 0 277.389 3.142 20 10 CGCDRO Cc1c(O)ccc(C[N@H+](C)CC2CCCCC2)c1O ZINC001140749433 804505032 /nfs/dbraw/zinc/50/50/32/804505032.db2.gz ZHPYCUTZPALWEY-UHFFFAOYSA-N 1 0 263.381 3.418 20 10 CGCDRO C[N@H+](Cc1cc(O)cc(Cl)c1)Cc1ccccc1O ZINC001140797505 804518162 /nfs/dbraw/zinc/51/81/62/804518162.db2.gz BJGZZUFVRYJXIR-UHFFFAOYSA-N 1 0 277.751 3.383 20 10 CGCDRO C[NH+](C)CCCc1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256935371 807013694 /nfs/dbraw/zinc/01/36/94/807013694.db2.gz JWUISMCQGOPEEG-UHFFFAOYSA-N 1 0 296.374 3.022 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H]3C[C@H]32)c(O)c1 ZINC001140857414 804535513 /nfs/dbraw/zinc/53/55/13/804535513.db2.gz PZZDPBLIFIDWJJ-XJKSGUPXSA-N 1 0 274.408 3.223 20 10 CGCDRO CC[C@@]12C[C@@H](CO1)N(Cc1ccc(N(C)C)cc1Cl)C2 ZINC001140925307 804550973 /nfs/dbraw/zinc/55/09/73/804550973.db2.gz RPVAAMLWQJEUGI-HOCLYGCPSA-N 1 0 294.826 3.159 20 10 CGCDRO Cc1ccc(C[NH+]2CCN(c3ccccc3)CC2)c(O)c1 ZINC001140948735 804555604 /nfs/dbraw/zinc/55/56/04/804555604.db2.gz YAKNGLRMQJMUAA-UHFFFAOYSA-N 1 0 282.387 3.023 20 10 CGCDRO Cc1ccnn1C1CC[NH+](Cc2ccc(C)cc2O)CC1 ZINC001140954695 804557558 /nfs/dbraw/zinc/55/75/58/804557558.db2.gz WOKMSJJIOMRIFM-UHFFFAOYSA-N 1 0 285.391 3.043 20 10 CGCDRO Cc1ccc(C[N@@H+](CCCCCO)C(C)C)c(O)c1 ZINC001140953479 804557860 /nfs/dbraw/zinc/55/78/60/804557860.db2.gz ARZCQEYCLAZOEH-UHFFFAOYSA-N 1 0 265.397 3.074 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCC[C@H]2Cc2ccccn2)c(O)c1 ZINC001140950192 804557931 /nfs/dbraw/zinc/55/79/31/804557931.db2.gz UYNJHYDESBBOEV-KRWDZBQOSA-N 1 0 282.387 3.303 20 10 CGCDRO CCC[NH+](CCC)Cc1c(O)cc(OC)cc1OC ZINC001141031929 804575869 /nfs/dbraw/zinc/57/58/69/804575869.db2.gz NRZXUNYXCZFQGC-UHFFFAOYSA-N 1 0 267.369 3.031 20 10 CGCDRO COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1cc(O)ccc1O ZINC001141159850 804600350 /nfs/dbraw/zinc/60/03/50/804600350.db2.gz MUFNDFBGIAPLME-INIZCTEOSA-N 1 0 299.370 3.444 20 10 CGCDRO COC[C@H]1CC[N@H+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143104603 804801157 /nfs/dbraw/zinc/80/11/57/804801157.db2.gz WCBPDLCDXKFINX-ZDUSSCGKSA-N 1 0 277.408 3.158 20 10 CGCDRO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1cc(Cl)c(C(C)(C)C)cc1O ZINC001248879547 805030254 /nfs/dbraw/zinc/03/02/54/805030254.db2.gz BQYBHYPRXXEQSH-PWSUYJOCSA-N 1 0 297.826 3.298 20 10 CGCDRO Oc1cccc2c1C[N@H+](Cc1cccc3c1CCC3)CC2 ZINC001249458629 805153306 /nfs/dbraw/zinc/15/33/06/805153306.db2.gz GWCQNSQXURSVQV-UHFFFAOYSA-N 1 0 279.383 3.439 20 10 CGCDRO CCN(Cc1ccccc1O)c1cc(C)c(C)c[nH+]1 ZINC001154890752 805505936 /nfs/dbraw/zinc/50/59/36/805505936.db2.gz MJAWYHPACSJOKF-UHFFFAOYSA-N 1 0 256.349 3.431 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(N[C@H]2CC[N@@H+](C)C2)cc1 ZINC001167275296 807175463 /nfs/dbraw/zinc/17/54/63/807175463.db2.gz LZVMKTOAGRNPKV-INIZCTEOSA-N 1 0 269.392 3.210 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]CCc2ccc(O)c(O)c2)CC(C)(C)C1 ZINC001258687804 807544603 /nfs/dbraw/zinc/54/46/03/807544603.db2.gz UZQWFGAQMAMIJY-OCCSQVGLSA-N 1 0 277.408 3.445 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(NCC2C[NH+](C)C2)cc1 ZINC001170255089 807806823 /nfs/dbraw/zinc/80/68/23/807806823.db2.gz YITSJXMEFBXBFE-UHFFFAOYSA-N 1 0 269.392 3.068 20 10 CGCDRO COC(=O)[C@H]1CCC[C@H]([NH2+][C@H](C)c2ccccc2O)CC1 ZINC001172777894 808438527 /nfs/dbraw/zinc/43/85/27/808438527.db2.gz SFKZJXKCIZSPBP-RDBSUJKOSA-N 1 0 291.391 3.165 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2CCC[C@@H](OC)C2)cc1C ZINC001172925921 808483286 /nfs/dbraw/zinc/48/32/86/808483286.db2.gz LTCQEONGFYIEFB-LSDHHAIUSA-N 1 0 263.381 3.051 20 10 CGCDRO Cc1[nH]c2ccc(Nc3cccc(O)c3O)cc2[nH+]1 ZINC001213074098 815223459 /nfs/dbraw/zinc/22/34/59/815223459.db2.gz CMBWTDQIZFYTHW-UHFFFAOYSA-N 1 0 255.277 3.026 20 10 CGCDRO CCOC(=O)C[C@@H]1CC[C@@H]([NH2+][C@H](C)c2ccccc2O)C1 ZINC001173636893 808657141 /nfs/dbraw/zinc/65/71/41/808657141.db2.gz PKKXQULJVXOVQU-MGPQQGTHSA-N 1 0 291.391 3.165 20 10 CGCDRO Oc1c(Br)ccc(Cl)c1Nc1cc[nH+]cc1 ZINC001173885291 808740740 /nfs/dbraw/zinc/74/07/40/808740740.db2.gz RVYSNBWCZRCMFQ-UHFFFAOYSA-N 1 0 299.555 3.369 20 10 CGCDRO Cc1c[nH+]ccc1Nc1cccc(C(F)(F)F)c1O ZINC001174538188 809069584 /nfs/dbraw/zinc/06/95/84/809069584.db2.gz DVUHZCIYKRUTIM-UHFFFAOYSA-N 1 0 268.238 3.280 20 10 CGCDRO Cc1cc(Nc2cc(Br)ccc2O)cc[nH+]1 ZINC001174655889 809119009 /nfs/dbraw/zinc/11/90/09/809119009.db2.gz VSMGDDNLCSTMIC-UHFFFAOYSA-N 1 0 279.137 3.024 20 10 CGCDRO Oc1cccc(NC2=CC[N@H+](Cc3ccccc3)CC2)c1O ZINC001175506289 809433576 /nfs/dbraw/zinc/43/35/76/809433576.db2.gz SRXJTCVFAXTOGK-UHFFFAOYSA-N 1 0 296.370 3.300 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc3cnccc3o2)c1 ZINC001179052653 809902340 /nfs/dbraw/zinc/90/23/40/809902340.db2.gz CNDNTFJHHUOSKY-NSHDSACASA-N 1 0 298.342 3.393 20 10 CGCDRO COc1ccc(CNCCC[N@H+](C)CC(C)C)cc1C ZINC001179081126 809903214 /nfs/dbraw/zinc/90/32/14/809903214.db2.gz AIGBYEPHPJAKED-UHFFFAOYSA-N 1 0 278.440 3.071 20 10 CGCDRO CC1=CCN(Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC001180198502 809982551 /nfs/dbraw/zinc/98/25/51/809982551.db2.gz CIMANNNPIRAUPL-UHFFFAOYSA-N 1 0 266.335 3.183 20 10 CGCDRO COc1cc(C)c(C[N@H+](C)Cc2ccc(F)cc2)c(O)c1 ZINC001180566212 810010875 /nfs/dbraw/zinc/01/08/75/810010875.db2.gz MDXOCEIOBDOINW-UHFFFAOYSA-N 1 0 289.350 3.480 20 10 CGCDRO Oc1cc(Cl)ccc1C[N@@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC001181741666 810069457 /nfs/dbraw/zinc/06/94/57/810069457.db2.gz TZDIIDRAVWPZKI-DZGCQCFKSA-N 1 0 281.783 3.189 20 10 CGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CC[C@H](O)CC(C)(C)C2)c1 ZINC001181788510 810071532 /nfs/dbraw/zinc/07/15/32/810071532.db2.gz ZNDPNXLRRDPKKA-INIZCTEOSA-N 1 0 291.435 3.499 20 10 CGCDRO CC(C)OCCC[N@H+](C)Cc1ccc(Cl)cc1O ZINC001181933747 810084901 /nfs/dbraw/zinc/08/49/01/810084901.db2.gz OMPGPIAROBMTSX-UHFFFAOYSA-N 1 0 271.788 3.293 20 10 CGCDRO Oc1cc(Cl)ccc1C[NH2+][C@H](C1CCC1)[C@@H]1CCOC1 ZINC001183406120 810148479 /nfs/dbraw/zinc/14/84/79/810148479.db2.gz BXEUMEGPXYEYHD-CZUORRHYSA-N 1 0 295.810 3.340 20 10 CGCDRO CCN(C[C@H](COC)C(C)C)c1ccc(OC)cc1 ZINC001191840350 810750371 /nfs/dbraw/zinc/75/03/71/810750371.db2.gz XKRFBVBLBSKFCP-CQSZACIVSA-N 1 0 265.397 3.440 20 10 CGCDRO COc1ccc(C[NH2+]C[C@H]2CC2(C)C)cc1Cn1cccn1 ZINC001200365383 811681947 /nfs/dbraw/zinc/68/19/47/811681947.db2.gz KTXHIRZTVLLDIX-MRXNPFEDSA-N 1 0 299.418 3.076 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H]3OCC[C@H]32)cc1C ZINC001200971612 811777304 /nfs/dbraw/zinc/77/73/04/811777304.db2.gz MKDJQZJLLGKHIX-ZMSDIMECSA-N 1 0 275.392 3.051 20 10 CGCDRO COc1ccc2c(c1)c1c(n2C)CC[N@@H+](CC(C)C)C1 ZINC001201477194 811855248 /nfs/dbraw/zinc/85/52/48/811855248.db2.gz UKIQAOWZVXRIQK-UHFFFAOYSA-N 1 0 272.392 3.201 20 10 CGCDRO CC(C)Nc1ccc(Nc2cc[nH+]c(CO)c2)cc1 ZINC001201489516 811862974 /nfs/dbraw/zinc/86/29/74/811862974.db2.gz RHNQKXSPCFGOFH-UHFFFAOYSA-N 1 0 257.337 3.138 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@@H]2CCCC[C@H]2O)cc1C ZINC001202084159 812011603 /nfs/dbraw/zinc/01/16/03/812011603.db2.gz USPVCZKJEIPSHA-HZPDHXFCSA-N 1 0 277.408 3.177 20 10 CGCDRO COc1ccc(C[NH2+][C@H](C2CCC2)[C@@H]2CCCO2)cc1C ZINC001203270129 812286563 /nfs/dbraw/zinc/28/65/63/812286563.db2.gz HXAXLZJFHGCMBV-ZWKOTPCHSA-N 1 0 289.419 3.441 20 10 CGCDRO COc1cccc(CC[N@H+](C)Cc2ccccc2O)c1 ZINC001203556166 812391330 /nfs/dbraw/zinc/39/13/30/812391330.db2.gz LUKNOICAFXTCRP-UHFFFAOYSA-N 1 0 271.360 3.075 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CCCC2(CC(F)C2)CC1 ZINC001203558536 812392440 /nfs/dbraw/zinc/39/24/40/812392440.db2.gz MDCUXWOLVSUWGY-UHFFFAOYSA-N 1 0 263.356 3.496 20 10 CGCDRO Cc1cccc(O[C@@H]2CCC[N@H+](Cc3ccccc3O)C2)n1 ZINC001203562012 812394440 /nfs/dbraw/zinc/39/44/40/812394440.db2.gz AUXMWYGNRSBKLP-MRXNPFEDSA-N 1 0 298.386 3.139 20 10 CGCDRO C[C@H]1C(=O)CC[N@H+](Cc2ccccc2O)C12CCCC2 ZINC001203562060 812394832 /nfs/dbraw/zinc/39/48/32/812394832.db2.gz CJNCLEMLWBBMRI-ZDUSSCGKSA-N 1 0 273.376 3.116 20 10 CGCDRO COc1cccc(C[N@@H+]2CCCC[C@](C)(F)C2)c1O ZINC001203585619 812400459 /nfs/dbraw/zinc/40/04/59/812400459.db2.gz QUJAXHVFCZQXJC-HNNXBMFYSA-N 1 0 267.344 3.115 20 10 CGCDRO COc1ccc(C[N@@H+]2CC[C@@H](C)C(F)(F)CC2)c(O)c1 ZINC001203621431 812409518 /nfs/dbraw/zinc/40/95/18/812409518.db2.gz TXXHNXNHKWUUIE-LLVKDONJSA-N 1 0 285.334 3.268 20 10 CGCDRO COc1ccc(C[N@H+](C)CCc2ccccc2F)c(O)c1 ZINC001203634799 812412819 /nfs/dbraw/zinc/41/28/19/812412819.db2.gz WAOFOYLHMWBYLJ-UHFFFAOYSA-N 1 0 289.350 3.214 20 10 CGCDRO CCCOC1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC001203657309 812419496 /nfs/dbraw/zinc/41/94/96/812419496.db2.gz JGVFDANTOUZHCK-UHFFFAOYSA-N 1 0 283.799 3.437 20 10 CGCDRO C[C@H]1C[N@H+](Cc2cc(Cl)ccc2O)C2(CC2)C1 ZINC001203664435 812422726 /nfs/dbraw/zinc/42/27/26/812422726.db2.gz FEWWSCKHWCNDCO-SNVBAGLBSA-N 1 0 251.757 3.420 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@](C)(F)CC2)c1 ZINC001203670527 812425951 /nfs/dbraw/zinc/42/59/51/812425951.db2.gz SMCMDIDVYXBMEJ-OAHLLOKOSA-N 1 0 267.344 3.115 20 10 CGCDRO C[C@@H]1c2ccccc2CC[N@H+]1Cc1ccc(O)c(O)c1 ZINC001203875617 812478767 /nfs/dbraw/zinc/47/87/67/812478767.db2.gz RZNNKOMKVOSGSL-GFCCVEGCSA-N 1 0 269.344 3.217 20 10 CGCDRO Oc1ccc(C[N@@H+]2CCCC3(CCCC3)C2)cc1O ZINC001203874836 812478817 /nfs/dbraw/zinc/47/88/17/812478817.db2.gz DDIVTJLZDQJAHM-UHFFFAOYSA-N 1 0 261.365 3.254 20 10 CGCDRO Oc1ccc(C[N@@H+]2CC[C@@H](c3ccccc3F)C2)cc1O ZINC001203882738 812479611 /nfs/dbraw/zinc/47/96/11/812479611.db2.gz TUXBBAJWTDTKSS-CYBMUJFWSA-N 1 0 287.334 3.226 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+]2C[C@@H](C)N(C)[C@@H](C)C2)cc1 ZINC001203941933 812497134 /nfs/dbraw/zinc/49/71/34/812497134.db2.gz HTOLMTJYTXVFBF-IYBDPMFKSA-N 1 0 289.467 3.057 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCCC[C@](C)(O)C2)cc1 ZINC001203937418 812498171 /nfs/dbraw/zinc/49/81/71/812498171.db2.gz YJFDNLPGMDACTB-SFHVURJKSA-N 1 0 290.451 3.270 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCCOCC2)c2ccccc21 ZINC001204233338 812579797 /nfs/dbraw/zinc/57/97/97/812579797.db2.gz QCKTVZJLMVBYME-UHFFFAOYSA-N 1 0 284.403 3.128 20 10 CGCDRO COC[C@@H]1CC[N@H+](Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001204232982 812580431 /nfs/dbraw/zinc/58/04/31/812580431.db2.gz MOLIDAFYCFRNOO-OAHLLOKOSA-N 1 0 298.430 3.374 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)[C@H]2CCOC2)c2ccccc21 ZINC001204241014 812584029 /nfs/dbraw/zinc/58/40/29/812584029.db2.gz RGTLJNQPIUBSPO-HNNXBMFYSA-N 1 0 284.403 3.127 20 10 CGCDRO Cc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(O)cc2O)cn1 ZINC001204279642 812593594 /nfs/dbraw/zinc/59/35/94/812593594.db2.gz DMBYYEQUPDXXDJ-INIZCTEOSA-N 1 0 284.359 3.138 20 10 CGCDRO CCC(CC)[N@H+](CCOC)Cc1cc(F)c(F)cc1[O-] ZINC001204314932 812609772 /nfs/dbraw/zinc/60/97/72/812609772.db2.gz RYKLLGUVBGHASY-UHFFFAOYSA-N 1 0 287.350 3.307 20 10 CGCDRO Cc1cc(CN2CCCC[C@H]2C[NH3+])c(C)n1-c1ccccc1 ZINC001204925379 812777851 /nfs/dbraw/zinc/77/78/51/812777851.db2.gz RWQPAYAIVMSHAU-IBGZPJMESA-N 1 0 297.446 3.407 20 10 CGCDRO Cc1cc(CN2CC[C@@H]([NH3+])[C@H]2C)c(C)n1-c1ccccc1 ZINC001205177241 812898719 /nfs/dbraw/zinc/89/87/19/812898719.db2.gz DXOXGIZEKMSSIH-CRAIPNDOSA-N 1 0 283.419 3.016 20 10 CGCDRO CC(C)O[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2O)C1 ZINC001206216442 813244935 /nfs/dbraw/zinc/24/49/35/813244935.db2.gz XPHZXEQGFKOSSS-BETUJISGSA-N 1 0 269.772 3.091 20 10 CGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cncc(C)c1 ZINC001207162323 813502860 /nfs/dbraw/zinc/50/28/60/813502860.db2.gz ZSAUBTKPTVWMTE-UHFFFAOYSA-N 1 0 283.419 3.478 20 10 CGCDRO Cc1cccnc1[C@@H](C)[NH2+]Cc1cc(F)ccc1O ZINC001207783777 813650209 /nfs/dbraw/zinc/65/02/09/813650209.db2.gz PEQPWGABBDXRPA-LLVKDONJSA-N 1 0 260.312 3.086 20 10 CGCDRO C[N@H+]1CC=C(Nc2ccccc2Cc2ccc(N)cc2)CC1 ZINC001208910587 813895921 /nfs/dbraw/zinc/89/59/21/813895921.db2.gz PJJFYGBPKBJVBJ-UHFFFAOYSA-N 1 0 293.414 3.491 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(C[N@H+]2CC[C@@H](C)[C@@H](O)C2)cc1 ZINC001209516771 814071337 /nfs/dbraw/zinc/07/13/37/814071337.db2.gz NYWZZNGIFDWKFS-KUHUBIRLSA-N 1 0 298.430 3.297 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)cc1 ZINC001209516171 814071961 /nfs/dbraw/zinc/07/19/61/814071961.db2.gz BOUUDOPPTLAOHE-IFXJQAMLSA-N 1 0 298.430 3.297 20 10 CGCDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1OCc1ccc(N)cc1 ZINC001217938750 816006216 /nfs/dbraw/zinc/00/62/16/816006216.db2.gz HCXVSXAILHHNPZ-KXBFYZLASA-N 1 0 296.414 3.306 20 10 CGCDRO O=C1C=CC=CC1=NNc1ccccc1OC1C[NH2+]C1 ZINC001218050130 816074830 /nfs/dbraw/zinc/07/48/30/816074830.db2.gz OOROASCTEXVNGJ-ISLYRVAYSA-N 1 0 269.304 3.158 20 10 CGCDRO c1ccc(/N=N/c2ccc(OC3C[NH2+]C3)cc2)cc1 ZINC001218049998 816075281 /nfs/dbraw/zinc/07/52/81/816075281.db2.gz NADZQIVXGWENQH-ISLYRVAYSA-N 1 0 253.305 3.453 20 10 CGCDRO CC(C)CC[C@@H](C)Oc1ccc(N2CC[NH2+]CC2)cc1 ZINC001218293799 816155997 /nfs/dbraw/zinc/15/59/97/816155997.db2.gz GIYVHSQCCMNLPT-OAHLLOKOSA-N 1 0 276.424 3.300 20 10 CGCDRO C[C@@H](Oc1ccc(N2CC[NH2+]CC2)cc1)C1CCCC1 ZINC001218359339 816178322 /nfs/dbraw/zinc/17/83/22/816178322.db2.gz VIQAXQLCGZMZJD-CQSZACIVSA-N 1 0 274.408 3.054 20 10 CGCDRO CC(C)c1ccc(CN2CCC[C@@]3(CCC[NH2+]3)C2)c(O)c1 ZINC001222360560 816419213 /nfs/dbraw/zinc/41/92/13/816419213.db2.gz RYCVEBHWVJWUNU-SFHVURJKSA-N 1 0 288.435 3.234 20 10 CGCDRO Cc1ccc(C)c(CN2CCC[C@]3(CCCC[NH2+]3)C2)c1O ZINC001222390481 816429165 /nfs/dbraw/zinc/42/91/65/816429165.db2.gz PTDQIEDLRYCIHD-GOSISDBHSA-N 1 0 288.435 3.117 20 10 CGCDRO O=C1CCCN(Cc2c(O)ccc3ccccc32)C[C@@H]1F ZINC001231588849 818130146 /nfs/dbraw/zinc/13/01/46/818130146.db2.gz WGCJSRSPCQLTMW-HNNXBMFYSA-N 1 0 287.334 3.048 20 10 CGCDRO Oc1ccc2ccccc2c1C[NH+]1CC2(CSC2)C1 ZINC001231589012 818130534 /nfs/dbraw/zinc/13/05/34/818130534.db2.gz AJYNIRZREDYHMP-UHFFFAOYSA-N 1 0 271.385 3.094 20 10 CGCDRO COCC[C@@H]1CCCC[N@@H+]1Cc1c(C)cc(C)cc1O ZINC001231844124 818185612 /nfs/dbraw/zinc/18/56/12/818185612.db2.gz HCMCGEJPRSPOEJ-HNNXBMFYSA-N 1 0 277.408 3.400 20 10 CGCDRO Cc1cc(C)c(C[N@@H+]2CC[C@@](C)(CF)C2)c(O)c1 ZINC001231841363 818185853 /nfs/dbraw/zinc/18/58/53/818185853.db2.gz APFVSHRHNCGARA-HNNXBMFYSA-N 1 0 251.345 3.191 20 10 CGCDRO Cc1cc(C)c(C[N@@H+]2CCc3ncsc3C2)c(O)c1 ZINC001231846212 818187102 /nfs/dbraw/zinc/18/71/02/818187102.db2.gz IAJWVAHLESGXSS-UHFFFAOYSA-N 1 0 274.389 3.024 20 10 CGCDRO Cc1cc(C)c(C[NH+]2CC3(C2)CC(F)(F)CS3)c(O)c1 ZINC001231850097 818188570 /nfs/dbraw/zinc/18/85/70/818188570.db2.gz ZVIHVLWRLGCLRX-UHFFFAOYSA-N 1 0 299.386 3.336 20 10 CGCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCc2ccccc2C1 ZINC001231849806 818188967 /nfs/dbraw/zinc/18/89/67/818188967.db2.gz ZSGQRTRSNGGSMD-UHFFFAOYSA-N 1 0 296.414 3.320 20 10 CGCDRO CC[C@@H]1CCC[N@@H+]1Cc1ccc(N(C)C)cc1OC ZINC001231853450 818189126 /nfs/dbraw/zinc/18/91/26/818189126.db2.gz KIJHDIREMMXCCY-CQSZACIVSA-N 1 0 262.397 3.136 20 10 CGCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H](C)C[C@@H]1C ZINC001231853787 818189260 /nfs/dbraw/zinc/18/92/60/818189260.db2.gz RITHOMNHNTYPME-KBPBESRZSA-N 1 0 276.424 3.382 20 10 CGCDRO Cc1cc(O)c(C[NH+]2CCC3(CCOC3)CC2)cc1Cl ZINC001231869803 818194272 /nfs/dbraw/zinc/19/42/72/818194272.db2.gz ZFNDQNPYUWYXRZ-UHFFFAOYSA-N 1 0 295.810 3.357 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2O)CC[C@H]1O ZINC001231879371 818199060 /nfs/dbraw/zinc/19/90/60/818199060.db2.gz CYPPANYXRFKGNU-CXAGYDPISA-N 1 0 285.387 3.138 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2O)CCC1=O ZINC001231879556 818199253 /nfs/dbraw/zinc/19/92/53/818199253.db2.gz IIHCFDGCOYLIPH-CYBMUJFWSA-N 1 0 283.371 3.346 20 10 CGCDRO Oc1c(C[N@@H+]2CCn3cccc3C2)ccc2ccccc21 ZINC001231881689 818199782 /nfs/dbraw/zinc/19/97/82/818199782.db2.gz GTUXPMVCHTXHSG-UHFFFAOYSA-N 1 0 278.355 3.363 20 10 CGCDRO CC(C)[N@H+](C)[C@H]1CCN(Cc2ccc3ccccc3c2O)C1 ZINC001231883313 818201376 /nfs/dbraw/zinc/20/13/76/818201376.db2.gz OAHGCCFVLKYEND-KRWDZBQOSA-N 1 0 298.430 3.460 20 10 CGCDRO C[N@H+](Cc1ccnc(C(F)F)c1)Cc1ccccc1O ZINC001231892785 818205255 /nfs/dbraw/zinc/20/52/55/818205255.db2.gz JMIVKWLYCDFHAH-UHFFFAOYSA-N 1 0 278.302 3.357 20 10 CGCDRO CC[N@H+](Cc1ccc(N2CCOCC2)c(Cl)c1)C1CC1 ZINC001232198438 818274651 /nfs/dbraw/zinc/27/46/51/818274651.db2.gz RNKYKHOANVZIDP-UHFFFAOYSA-N 1 0 294.826 3.161 20 10 CGCDRO COC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)c(OC)cc1O ZINC001232265711 818297007 /nfs/dbraw/zinc/29/70/07/818297007.db2.gz DYCRMCOXFNRZPU-GFCCVEGCSA-N 1 0 299.798 3.055 20 10 CGCDRO COc1ccc(C[N@H+](C)Cc2ccc(N(C)C)cc2)c(C)n1 ZINC001232338630 818320116 /nfs/dbraw/zinc/32/01/16/818320116.db2.gz ZLRFBXWQQFMIDI-UHFFFAOYSA-N 1 0 299.418 3.097 20 10 CGCDRO Oc1cccc2c1C[N@H+](Cc1cc3ccoc3cn1)CC2 ZINC001232554422 818385095 /nfs/dbraw/zinc/38/50/95/818385095.db2.gz VBUFJYZEOVHWPA-UHFFFAOYSA-N 1 0 280.327 3.092 20 10 CGCDRO CN(C)c1ccc(C[NH+]2C[C@@H]3CCCC[C@H]3C2)c(O)c1 ZINC001232835322 818451696 /nfs/dbraw/zinc/45/16/96/818451696.db2.gz AQJSGCRMXWICOG-KBPBESRZSA-N 1 0 274.408 3.080 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccc(F)cc2)c(O)c1 ZINC001232834705 818451846 /nfs/dbraw/zinc/45/18/46/818451846.db2.gz JXWUDQPXXVZMPW-UHFFFAOYSA-N 1 0 288.366 3.229 20 10 CGCDRO CC(C)[NH+]1CCN(Cc2cc(C(C)(C)C)ccc2O)CC1 ZINC001233283802 818565196 /nfs/dbraw/zinc/56/51/96/818565196.db2.gz WLSYEBPNFHGKPY-UHFFFAOYSA-N 1 0 290.451 3.216 20 10 CGCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CC[C@H](F)C2)c1 ZINC001233284027 818565339 /nfs/dbraw/zinc/56/53/39/818565339.db2.gz FBSSOBLTWCFDBS-ZDUSSCGKSA-N 1 0 251.345 3.234 20 10 CGCDRO C[N@H+](Cc1cc(C(C)(C)C)ccc1O)C1CCOCC1 ZINC001233284188 818565379 /nfs/dbraw/zinc/56/53/79/818565379.db2.gz LPFYHUBRYWHXEM-UHFFFAOYSA-N 1 0 277.408 3.301 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2cc(C(C)(C)C)ccc2O)C[C@@]1(C)O ZINC001233284063 818566284 /nfs/dbraw/zinc/56/62/84/818566284.db2.gz GWADBHQPBBMFQQ-FZKQIMNGSA-N 1 0 291.435 3.283 20 10 CGCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CC[C@]3(CCOC3)C2)c1 ZINC001233283994 818566490 /nfs/dbraw/zinc/56/64/90/818566490.db2.gz DGCSKBXAOJLGHR-SFHVURJKSA-N 1 0 289.419 3.302 20 10 CGCDRO CC(C)(C)c1ccc(O)c(C[N@H+](C2CC2)C2COC2)c1 ZINC001233286103 818567218 /nfs/dbraw/zinc/56/72/18/818567218.db2.gz FQBRUDBNKNLJKQ-UHFFFAOYSA-N 1 0 275.392 3.053 20 10 CGCDRO C[C@@H]1CC[C@H](CO)C[N@@H+]1Cc1cc(C(C)(C)C)ccc1O ZINC001233284335 818568530 /nfs/dbraw/zinc/56/85/30/818568530.db2.gz QSUCJBKWZRSUSX-KGLIPLIRSA-N 1 0 291.435 3.283 20 10 CGCDRO Cc1ccc(CN(C)Cc2c(O)ccc(F)c2F)cn1 ZINC001233336082 818588416 /nfs/dbraw/zinc/58/84/16/818588416.db2.gz XZYCMXPXPPGGOY-UHFFFAOYSA-N 1 0 278.302 3.006 20 10 CGCDRO C[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233451992 818623275 /nfs/dbraw/zinc/62/32/75/818623275.db2.gz HIPFFLTZSAFFSP-VIFPVBQESA-N 1 0 259.271 3.253 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2O)C[C@@H]1F ZINC001233452264 818623300 /nfs/dbraw/zinc/62/33/00/818623300.db2.gz PKZOBWFDLVGYKK-KCJUWKMLSA-N 1 0 277.261 3.201 20 10 CGCDRO C[C@@H]1C[C@@H](F)C[N@@H+]1Cc1cccc(OC(F)(F)F)c1O ZINC001233726254 818691921 /nfs/dbraw/zinc/69/19/21/818691921.db2.gz BIWWJYCRWBYQPF-PSASIEDQSA-N 1 0 293.260 3.223 20 10 CGCDRO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cccc(-c2ccccc2)c1O ZINC001234992990 818970780 /nfs/dbraw/zinc/97/07/80/818970780.db2.gz UMMXZUSHAADCFK-CZUORRHYSA-N 1 0 283.371 3.014 20 10 CGCDRO CN1CCC([N@H+](C)Cc2ccc(C(C)(C)C)cc2O)CC1 ZINC001235676962 819137068 /nfs/dbraw/zinc/13/70/68/819137068.db2.gz YSGCROZOLJHHOE-UHFFFAOYSA-N 1 0 290.451 3.216 20 10 CGCDRO CC[N@H+](CCC(=O)OC)Cc1ccc(C(C)(C)C)cc1O ZINC001235682699 819142622 /nfs/dbraw/zinc/14/26/22/819142622.db2.gz ZLXVEXSKJJUONW-UHFFFAOYSA-N 1 0 293.407 3.075 20 10 CGCDRO CC[C@H]1CN(Cc2cccc(-c3ccccc3)c2O)CC[NH2+]1 ZINC001235730592 819156224 /nfs/dbraw/zinc/15/62/24/819156224.db2.gz OJIOPRVCQZYINA-KRWDZBQOSA-N 1 0 296.414 3.243 20 10 CGCDRO C[C@@H]1[C@@H]([NH3+])CCCN1Cc1ccc(C(C)(C)C)cc1O ZINC001236421323 819468418 /nfs/dbraw/zinc/46/84/18/819468418.db2.gz UFLFXDPXFDPGMA-DOMZBBRYSA-N 1 0 276.424 3.001 20 10 CGCDRO Cc1c(CN(C(C)C)[C@@H]2CC[NH2+]C2)c2ccccc2n1C ZINC001236528834 819520714 /nfs/dbraw/zinc/52/07/14/819520714.db2.gz KFSAVQGKNHTLEP-OAHLLOKOSA-N 1 0 285.435 3.059 20 10 CGCDRO CC[C@@H](C)[N@H+](C)Cc1cc(O)c(Br)cc1O ZINC001236765313 819591619 /nfs/dbraw/zinc/59/16/19/819591619.db2.gz CACYQZZBMQSSDB-MRVPVSSYSA-N 1 0 288.185 3.091 20 10 CGCDRO CCc1ccc(CN2CCC([NH+]3CCCC3)CC2)c(O)c1 ZINC001236783633 819593761 /nfs/dbraw/zinc/59/37/61/819593761.db2.gz NMKBJDURNZYBLE-UHFFFAOYSA-N 1 0 288.435 3.015 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](CF)C2)c(Cl)c1 ZINC001236800580 819599541 /nfs/dbraw/zinc/59/95/41/819599541.db2.gz ABYVUCVXLYWGTC-JTQLQIEISA-N 1 0 287.762 3.236 20 10 CGCDRO COc1cc(C)c(C[NH+]2CCC3(CC3)CC2)c(O)c1 ZINC001236808138 819602396 /nfs/dbraw/zinc/60/23/96/819602396.db2.gz NTNRCMPKPCVUEO-UHFFFAOYSA-N 1 0 261.365 3.085 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CCC[C@@H]2c2ccccn2)c(O)c1 ZINC001236812362 819604995 /nfs/dbraw/zinc/60/49/95/819604995.db2.gz CYRWXRUKCMQWTI-QGZVFWFLSA-N 1 0 298.386 3.441 20 10 CGCDRO CCC[N@@H+](Cc1c(C)cc(OC)cc1O)CC1CC1 ZINC001236819110 819606511 /nfs/dbraw/zinc/60/65/11/819606511.db2.gz TWNNRBABXPETIM-UHFFFAOYSA-N 1 0 263.381 3.331 20 10 CGCDRO Oc1cc2ccccc2cc1C[N@@H+]1CCCC2(COC2)C1 ZINC001236826848 819609667 /nfs/dbraw/zinc/60/96/67/819609667.db2.gz OHMGAYRZBJZTQU-UHFFFAOYSA-N 1 0 283.371 3.158 20 10 CGCDRO CN1C[C@H]2CCC[N@H+](Cc3cc4ccccc4cc3O)[C@@H]2C1 ZINC001236833171 819612704 /nfs/dbraw/zinc/61/27/04/819612704.db2.gz PDXBOYOGDWLDRE-SJLPKXTDSA-N 1 0 296.414 3.071 20 10 CGCDRO CC(C)(O)[C@H]1CCC[N@@H+]1Cc1cc2ccccc2cc1O ZINC001236834435 819613154 /nfs/dbraw/zinc/61/31/54/819613154.db2.gz ZEVBBBDMVQQDJU-QGZVFWFLSA-N 1 0 285.387 3.281 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2cc3ccccc3cc2O)[C@H](C)CO1 ZINC001236837612 819617098 /nfs/dbraw/zinc/61/70/98/819617098.db2.gz REBHQOMGQCIVKL-CHWSQXEVSA-N 1 0 271.360 3.155 20 10 CGCDRO CCOc1cncc(C[N@H+](CC)Cc2ccccc2O)c1 ZINC001236845918 819620289 /nfs/dbraw/zinc/62/02/89/819620289.db2.gz POQAPFONCUXJFB-UHFFFAOYSA-N 1 0 286.375 3.208 20 10 CGCDRO C[C@H]([NH3+])CN(C)Cc1cc(Cl)c(C(C)(C)C)cc1O ZINC001236908546 819636745 /nfs/dbraw/zinc/63/67/45/819636745.db2.gz KJLBJOOSUBPFOF-JTQLQIEISA-N 1 0 284.831 3.122 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2CC[C@](C)(O)[C@H](C)C2)c(O)c1 ZINC001237046743 819650137 /nfs/dbraw/zinc/65/01/37/819650137.db2.gz WTDNFSZASYNVLD-DYVFJYSZSA-N 1 0 277.408 3.108 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2CCN(C)C(C)(C)C2)c(O)c1 ZINC001237048092 819652930 /nfs/dbraw/zinc/65/29/30/819652930.db2.gz CSOROPRCUZLNMU-UHFFFAOYSA-N 1 0 276.424 3.042 20 10 CGCDRO CCN1CCC([N@H+](C)Cc2ccc(C(C)C)cc2O)CC1 ZINC001237054286 819653743 /nfs/dbraw/zinc/65/37/43/819653743.db2.gz UPJVMKUUYARILS-UHFFFAOYSA-N 1 0 290.451 3.432 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)N3C)c(O)c1 ZINC001237056330 819655370 /nfs/dbraw/zinc/65/53/70/819655370.db2.gz YDMZGTFTLRXLDP-SJORKVTESA-N 1 0 288.435 3.184 20 10 CGCDRO Oc1ccc(F)c(Cl)c1C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC001237124962 819673129 /nfs/dbraw/zinc/67/31/29/819673129.db2.gz TZNNHBKKCDLWSP-OAHLLOKOSA-N 1 0 299.773 3.187 20 10 CGCDRO COC[C@H]1CCC[N@@H+]1Cc1cc(C(F)(F)F)ccc1O ZINC001237134986 819675051 /nfs/dbraw/zinc/67/50/51/819675051.db2.gz DTRREIRGEFBAKM-GFCCVEGCSA-N 1 0 289.297 3.022 20 10 CGCDRO Oc1cc2ccccc2cc1C[N@@H+]1CCNC2=CCCC[C@@H]21 ZINC001237232101 819709216 /nfs/dbraw/zinc/70/92/16/819709216.db2.gz ZXKFSMKYYDUGQL-SFHVURJKSA-N 1 0 294.398 3.387 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@H]3O[C@@H](C)C[C@H]3C2)c1O ZINC001237679243 819805584 /nfs/dbraw/zinc/80/55/84/819805584.db2.gz HCAYVEOPNFOCPD-SLEUVZQESA-N 1 0 295.810 3.353 20 10 CGCDRO Cc1sccc1C[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001237968221 819898715 /nfs/dbraw/zinc/89/87/15/819898715.db2.gz KZGBEQAJGNUSGP-UHFFFAOYSA-N 1 0 289.400 3.416 20 10 CGCDRO Cc1cc(F)cc(C[N@@H+]2CCc3cc(O)ccc3C2)c1O ZINC001238065698 819919919 /nfs/dbraw/zinc/91/99/19/819919919.db2.gz YZPMNXLLUWLEDE-UHFFFAOYSA-N 1 0 287.334 3.104 20 10 CGCDRO Cc1cc(F)cc(C[N@@H+]2CCC[C@@H](F)CC2)c1O ZINC001238058700 819921012 /nfs/dbraw/zinc/92/10/12/819921012.db2.gz VARBBEMNWMHNDU-GFCCVEGCSA-N 1 0 255.308 3.164 20 10 CGCDRO CC[NH+](CC)CCn1cc(-c2ccc3ccn(C)c3c2)cn1 ZINC001239208905 820230490 /nfs/dbraw/zinc/23/04/90/820230490.db2.gz XSJPOZWKMZYRRM-UHFFFAOYSA-N 1 0 296.418 3.384 20 10 CGCDRO C[C@H]([NH3+])c1ccc(-c2cccc3c2ccn3C)cn1 ZINC001241823329 822163866 /nfs/dbraw/zinc/16/38/66/822163866.db2.gz NEOAEUANICZOLW-NSHDSACASA-N 1 0 251.333 3.260 20 10 CGCDRO CC(C)c1ccc(N(C)C(=O)C2=CCC[NH2+]CC2)cc1 ZINC001340107848 936398517 /nfs/dbraw/zinc/39/85/17/936398517.db2.gz QFIYAWQIKYXKNZ-UHFFFAOYSA-N 1 0 272.392 3.083 20 10 CGCDRO CSC(C)(C)C[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001348085992 936910035 /nfs/dbraw/zinc/91/00/35/936910035.db2.gz LTFRTZCDCPQXFY-UHFFFAOYSA-N 1 0 288.407 3.262 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCOC23CCCC3)c1 ZINC001352751116 937048711 /nfs/dbraw/zinc/04/87/11/937048711.db2.gz SXMXORFTQHOAJW-WBMJQRKESA-N 1 0 291.391 3.153 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H](F)C2)cc1C ZINC001345932920 926697188 /nfs/dbraw/zinc/69/71/88/926697188.db2.gz ZXUBVSAYLTWUGL-ZIAGYGMSSA-N 1 0 251.345 3.374 20 10 CGCDRO COc1ccc(C[NH2+]CCc2cccc(Cl)c2)c(O)c1 ZINC000237160264 927222467 /nfs/dbraw/zinc/22/24/67/927222467.db2.gz VUPQRICDXZTJDI-UHFFFAOYSA-N 1 0 291.778 3.387 20 10 CGCDRO COc1cc(C[N@H+](Cc2ccc(N)cc2)C2CC2)ccc1O ZINC001356083051 937152927 /nfs/dbraw/zinc/15/29/27/937152927.db2.gz IMRGRMVPTWNWGO-UHFFFAOYSA-N 1 0 298.386 3.148 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@H]2CCCC[C@@H]2O)cc1C ZINC001474123239 937202657 /nfs/dbraw/zinc/20/26/57/937202657.db2.gz USPVCZKJEIPSHA-HOTGVXAUSA-N 1 0 277.408 3.177 20 10 CGCDRO COc1cccc(O)c1C[NH2+]Cc1ccc(C)nc1Cl ZINC000883292167 928430674 /nfs/dbraw/zinc/43/06/74/928430674.db2.gz FXRBARZOHNIBRD-UHFFFAOYSA-N 1 0 292.766 3.047 20 10 CGCDRO Cc1ccccc1C[C@@H](C)[NH2+]Cc1ccccc1O ZINC000037777061 928693506 /nfs/dbraw/zinc/69/35/06/928693506.db2.gz AQEWUOJABKGHLV-CQSZACIVSA-N 1 0 255.361 3.421 20 10 CGCDRO Cc1ccc(C)c(C[NH+]2CCC(C)(F)CC2)c1O ZINC001140178765 931956854 /nfs/dbraw/zinc/95/68/54/931956854.db2.gz WXCMDVGLAGOZHN-UHFFFAOYSA-N 1 0 251.345 3.333 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cccn2C(F)F)c1 ZINC001462205579 937624870 /nfs/dbraw/zinc/62/48/70/937624870.db2.gz FDZLWACHBYKYSN-SNVBAGLBSA-N 1 0 296.317 3.448 20 10 CGCDRO COc1ccc(N(C)CC[N@H+](C)CCc2ccccc2)cc1 ZINC001307898051 933017306 /nfs/dbraw/zinc/01/73/06/933017306.db2.gz WRYHQTKLPVQSRB-UHFFFAOYSA-N 1 0 298.430 3.306 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCO2)cc1 ZINC001308159641 933061107 /nfs/dbraw/zinc/06/11/07/933061107.db2.gz JKDUQQLVFFGMBA-MSOLQXFVSA-N 1 0 288.435 3.286 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCCO2)cc1 ZINC001308159642 933062107 /nfs/dbraw/zinc/06/21/07/933062107.db2.gz JKDUQQLVFFGMBA-QZTJIDSGSA-N 1 0 288.435 3.286 20 10 CGCDRO CN(C)c1ccc(C[NH2+]Cc2cccc3n[nH]cc32)cc1F ZINC001308232294 933077171 /nfs/dbraw/zinc/07/71/71/933077171.db2.gz QZXBHRAAFYFQPP-UHFFFAOYSA-N 1 0 298.365 3.058 20 10 CGCDRO CC(C)[C@@H]1OCCC[C@H]1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC001308293972 933091681 /nfs/dbraw/zinc/09/16/81/933091681.db2.gz YECHZUMKVURRGR-WMZOPIPTSA-N 1 0 289.419 3.162 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H]1OCc2ccccc21 ZINC001462668578 937658445 /nfs/dbraw/zinc/65/84/45/937658445.db2.gz ZCCDWAHYAVMOTI-LJQANCHMSA-N 1 0 296.414 3.422 20 10 CGCDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(N(CC)CC)c(F)c2)C1 ZINC001308433026 933110047 /nfs/dbraw/zinc/11/00/47/933110047.db2.gz QSXWTKUFBHRVGS-GASCZTMLSA-N 1 0 294.414 3.329 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2c(O)cc(C)cc2Cl)nc1 ZINC001308448167 933112860 /nfs/dbraw/zinc/11/28/60/933112860.db2.gz DUKBSOKDCWCRRX-UHFFFAOYSA-N 1 0 276.767 3.347 20 10 CGCDRO COc1cc(C)c(C[N@H+](C)CCC(C)C)c(O)c1 ZINC001308614198 933142747 /nfs/dbraw/zinc/14/27/47/933142747.db2.gz OMUGWKSMVBUBEL-UHFFFAOYSA-N 1 0 251.370 3.187 20 10 CGCDRO CC(C)c1ccc(O)c(CN2CC[NH+](C(C)(C)C)CC2)c1 ZINC001308612515 933143044 /nfs/dbraw/zinc/14/30/44/933143044.db2.gz YSWGDCIMDVOEAL-UHFFFAOYSA-N 1 0 290.451 3.432 20 10 CGCDRO CC[C@@H]1C[N@H+](C/C=C\c2ccc(N(C)C)cc2)[C@H](C)CO1 ZINC001308848295 933188890 /nfs/dbraw/zinc/18/88/90/933188890.db2.gz KZELVXRUAPKCRN-QNRLHKFMSA-N 1 0 288.435 3.265 20 10 CGCDRO Cc1cc(O)c(CN(C)CC[NH+]2CCCCC2)cc1Cl ZINC001308845964 933189193 /nfs/dbraw/zinc/18/91/93/933189193.db2.gz WWFBRMDSFIEZTR-UHFFFAOYSA-N 1 0 296.842 3.272 20 10 CGCDRO COc1cc(C)c(C[NH2+][C@H](C)c2ccccc2O)c(O)c1 ZINC001308901380 933199539 /nfs/dbraw/zinc/19/95/39/933199539.db2.gz GCMZAVGYIAZSIR-GFCCVEGCSA-N 1 0 287.359 3.266 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]CCc1cnc2ccccc2c1 ZINC001474702138 933690026 /nfs/dbraw/zinc/69/00/26/933690026.db2.gz OZLQNELHAKVIOJ-UHFFFAOYSA-N 1 0 296.345 3.412 20 10 CGCDRO C[C@@H]([NH2+]CCCC[NH3+])c1ccc(Cl)c(Cl)c1[O-] ZINC001326474347 934982976 /nfs/dbraw/zinc/98/29/76/934982976.db2.gz VNHFGUZOHGGZAS-MRVPVSSYSA-N 1 0 277.195 3.089 20 10 CGCDRO Nc1ccc(C[NH2+]CC[C@H]2CCc3ccccc3N2)cc1 ZINC001334754808 936112141 /nfs/dbraw/zinc/11/21/41/936112141.db2.gz RSVKRTCZXVOCJC-QGZVFWFLSA-N 1 0 281.403 3.175 20 10 CGCDRO COc1cccc([C@]2(C)CC[N@H+](Cc3ccc(N)cc3)C2)c1 ZINC001335287759 936137216 /nfs/dbraw/zinc/13/72/16/936137216.db2.gz AQOIJVFTSKHJKY-LJQANCHMSA-N 1 0 296.414 3.441 20 10 CGCDRO Nc1ccc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC001336116209 936175891 /nfs/dbraw/zinc/17/58/91/936175891.db2.gz CWWFRXJUWQLLGV-UHFFFAOYSA-N 1 0 297.358 3.342 20 10 CGCDRO CC1CCN(c2ccc(CNc3cc[nH+]cc3)cc2)CC1 ZINC001336397164 936191610 /nfs/dbraw/zinc/19/16/10/936191610.db2.gz WVGYEBKUCRCVLA-UHFFFAOYSA-N 1 0 281.403 3.352 20 10 CGCDRO COc1ccccc1C(C)(C)[NH2+]Cc1ccc(N)cc1 ZINC001337838818 936293700 /nfs/dbraw/zinc/29/37/00/936293700.db2.gz VMCQPBUMYBDRFY-UHFFFAOYSA-N 1 0 270.376 3.302 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2C[C@@H](C)OCC[C@H]2C)cc1 ZINC001473893004 937827839 /nfs/dbraw/zinc/82/78/39/937827839.db2.gz IMOOJQSFLSUSLE-HUUCEWRRSA-N 1 0 276.424 3.142 20 10 CGCDRO Cc1cc(C[C@@H](C)[NH2+]Cc2c(C)c3ccccc3n2C)[nH]n1 ZINC001474069358 937838744 /nfs/dbraw/zinc/83/87/44/937838744.db2.gz SYTNPVFFPHUHNB-GFCCVEGCSA-N 1 0 296.418 3.239 20 10 CGCDRO CC(C)c1ccc(O)c(C[N@H+]2CCC[C@H]2C[C@@H](C)O)c1 ZINC001474369775 937855205 /nfs/dbraw/zinc/85/52/05/937855205.db2.gz MFFDFHZYCLJAJL-CJNGLKHVSA-N 1 0 277.408 3.251 20 10 CGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@H](C)C(=O)OC(C)(C)C ZINC001474496731 937863049 /nfs/dbraw/zinc/86/30/49/937863049.db2.gz WEEKLAJKJYFFRS-CYBMUJFWSA-N 1 0 292.423 3.092 20 10 CGCDRO CC[C@@H](C)[NH+]1CCN(Cc2c(O)cc(C)cc2Cl)CC1 ZINC001474526269 937864855 /nfs/dbraw/zinc/86/48/55/937864855.db2.gz TVGBQRWIZZIGNN-CYBMUJFWSA-N 1 0 296.842 3.270 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+][C@H](CO)C2CCCC2)c1 ZINC001474559282 937867091 /nfs/dbraw/zinc/86/70/91/937867091.db2.gz AFRICWDQBLKNSU-MRXNPFEDSA-N 1 0 277.408 3.156 20 10 CGCDRO Cc1ccc(C[NH2+]C[C@@H]2CCN2C2CCCCC2)c(O)c1 ZINC001474631189 937871608 /nfs/dbraw/zinc/87/16/08/937871608.db2.gz ZGWOPDBPAGQMRD-KRWDZBQOSA-N 1 0 288.435 3.197 20 10 CGCDRO CO[C@@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)C1CCCC1 ZINC001560544327 938262138 /nfs/dbraw/zinc/26/21/38/938262138.db2.gz UXALKDTWVYYNSZ-KRWDZBQOSA-N 1 0 294.414 3.187 20 10 CGCDRO COc1cc(C)cc(C[NH2+]C[C@@]2(C)CC2(C)C)c1O ZINC001560989318 938288618 /nfs/dbraw/zinc/28/86/18/938288618.db2.gz ZDHOCMGJYHISGG-MRXNPFEDSA-N 1 0 263.381 3.235 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CC(C)(C)C[C@@H]2C)c(O)c1 ZINC001462352609 958815050 /nfs/dbraw/zinc/81/50/50/958815050.db2.gz YKAOPNYXIJZBCN-LBPRGKRZSA-N 1 0 263.381 3.330 20 10 CGCDRO CCCOc1ccc(CN[C@]23CCC[C@@H]2[NH2+]CC3)cc1C ZINC001577586593 962554350 /nfs/dbraw/zinc/55/43/50/962554350.db2.gz YYDBYZQRZUJYEC-ROUUACIJSA-N 1 0 288.435 3.158 20 10 CGCDRO CCOCC[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000161951202 346177524 /nfs/dbraw/zinc/17/75/24/346177524.db2.gz JVXTYWBRTJPMJA-HNNXBMFYSA-N 1 0 276.424 3.364 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc([N+](=O)[O-])cc1 ZINC000296055363 346434323 /nfs/dbraw/zinc/43/43/23/346434323.db2.gz OZKBBGZELAWVJX-LBPRGKRZSA-N 1 0 298.342 3.381 20 10 CGCDRO C[C@H]1CC[C@H]1[NH2+]Cc1ccc(Br)cc1O ZINC000691394128 799784158 /nfs/dbraw/zinc/78/41/58/799784158.db2.gz AOPRWLDZLGJQLA-GZMMTYOYSA-N 1 0 270.170 3.043 20 10 CGCDRO CSC1CC([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000708307237 799984608 /nfs/dbraw/zinc/98/46/08/799984608.db2.gz UCNZISWYQYKCBU-UHFFFAOYSA-N 1 0 257.786 3.029 20 10 CGCDRO C[C@](O)(C[NH2+]Cc1c(O)cccc1Cl)c1ccsc1 ZINC000124107320 370918789 /nfs/dbraw/zinc/91/87/89/370918789.db2.gz RWNOBEACEFZIFF-AWEZNQCLSA-N 1 0 297.807 3.104 20 10 CGCDRO CC(C)N(CC[NH2+][C@@H](C)c1ccccc1O)C(C)C ZINC000019901021 368777471 /nfs/dbraw/zinc/77/74/71/368777471.db2.gz XFSPRVBFWHTBBZ-AWEZNQCLSA-N 1 0 264.413 3.162 20 10 CGCDRO CCOc1cccc(C[NH2+][C@H](C)[C@@H](C)CC)c1O ZINC000042551995 369224025 /nfs/dbraw/zinc/22/40/25/369224025.db2.gz OZHCXUDXHUVSPY-NWDGAFQWSA-N 1 0 251.370 3.315 20 10 CGCDRO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000042552100 369224293 /nfs/dbraw/zinc/22/42/93/369224293.db2.gz FTSQHPQLGOURTO-TUAOUCFPSA-N 1 0 251.370 3.486 20 10 CGCDRO C[C@@H]([NH2+]C[C@]1(C)CCCS1)c1ccccc1O ZINC000133895963 371287448 /nfs/dbraw/zinc/28/74/48/371287448.db2.gz LPYJXEDURHZNBD-RISCZKNCSA-N 1 0 251.395 3.329 20 10 CGCDRO C[C@H]([NH2+]CCN(C)C)c1ccc(N2CCCCC2)c(F)c1 ZINC000286906619 371571282 /nfs/dbraw/zinc/57/12/82/371571282.db2.gz DWDCFVJOMXBRSZ-AWEZNQCLSA-N 1 0 293.430 3.028 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCOC[C@@H]2C)c1 ZINC000286941351 371577754 /nfs/dbraw/zinc/57/77/54/371577754.db2.gz BDWHJAPDCUZVDU-IHRRRGAJSA-N 1 0 263.381 3.024 20 10 CGCDRO Cc1cccc(CCC[NH2+][C@@H](C)c2ccccc2O)n1 ZINC000287477002 371662803 /nfs/dbraw/zinc/66/28/03/371662803.db2.gz MQEGYKLQUPGSFL-AWEZNQCLSA-N 1 0 270.376 3.379 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CCCSC2)cc1F ZINC000288465057 371739946 /nfs/dbraw/zinc/73/99/46/371739946.db2.gz OJYDTWDHKJCHIG-ZDUSSCGKSA-N 1 0 282.428 3.125 20 10 CGCDRO CCCOc1ccc(C[NH2+]C[C@H]2CCCSC2)c(O)c1 ZINC000288394210 371735536 /nfs/dbraw/zinc/73/55/36/371735536.db2.gz HJJLCIQCFWJCSD-CYBMUJFWSA-N 1 0 295.448 3.414 20 10 CGCDRO CCOCC(C)(C)C[NH2+]Cc1cc(C)c(C)cc1O ZINC000288629046 371741681 /nfs/dbraw/zinc/74/16/81/371741681.db2.gz SIQADIRJGKEXDS-UHFFFAOYSA-N 1 0 265.397 3.161 20 10 CGCDRO CCC[C@H](O)C[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000168772113 372619118 /nfs/dbraw/zinc/61/91/18/372619118.db2.gz NBGZXKNWTOSGAF-OCCSQVGLSA-N 1 0 273.376 3.357 20 10 CGCDRO CC[C@H](CSC)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000168862753 372621448 /nfs/dbraw/zinc/62/14/48/372621448.db2.gz BYDBDKGRPORQTP-MWLCHTKSSA-N 1 0 257.374 3.324 20 10 CGCDRO COCC(C)(C)C[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000294486501 372656672 /nfs/dbraw/zinc/65/66/72/372656672.db2.gz XOYVOLPSQUFGLX-CYBMUJFWSA-N 1 0 265.397 3.332 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCc2ccncc2)c(O)c1 ZINC000294620604 372661526 /nfs/dbraw/zinc/66/15/26/372661526.db2.gz FGZOLPBQSKPWDQ-AWEZNQCLSA-N 1 0 270.376 3.297 20 10 CGCDRO COc1ccc(C[NH2+]CCCc2ncccc2C)cc1C ZINC000294692595 372667267 /nfs/dbraw/zinc/66/72/67/372667267.db2.gz ARLOWCNGMSUCNV-UHFFFAOYSA-N 1 0 284.403 3.429 20 10 CGCDRO CC[C@@H]([NH2+][C@H](C)c1ccc(C)c(C)c1O)C(C)(C)O ZINC000294857916 372674845 /nfs/dbraw/zinc/67/48/45/372674845.db2.gz BTZSPINPSXLJNI-TZMCWYRMSA-N 1 0 265.397 3.209 20 10 CGCDRO CO[C@H](Cc1ccccc1)C[N@H+](C)Cc1ccccc1O ZINC000295021989 372686666 /nfs/dbraw/zinc/68/66/66/372686666.db2.gz UYMVFOSEDIMBKW-QGZVFWFLSA-N 1 0 285.387 3.082 20 10 CGCDRO CO[C@@H](Cc1ccccc1)C[N@H+](C)Cc1ccccc1O ZINC000295021987 372687033 /nfs/dbraw/zinc/68/70/33/372687033.db2.gz UYMVFOSEDIMBKW-KRWDZBQOSA-N 1 0 285.387 3.082 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2CCc3cccc(O)c32)c(OC)c1 ZINC000295778337 372907488 /nfs/dbraw/zinc/90/74/88/372907488.db2.gz ASKVLDLHSKOMPA-HNNXBMFYSA-N 1 0 299.370 3.187 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]C[C@H]1CCC(F)(F)C1)CC2 ZINC000296228554 373060430 /nfs/dbraw/zinc/06/04/30/373060430.db2.gz AIMNEFUMDKACSJ-CMPLNLGQSA-N 1 0 267.319 3.405 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](C)CCCO)c1ccc(N(C)C)cc1 ZINC000296526809 373165489 /nfs/dbraw/zinc/16/54/89/373165489.db2.gz QFUQCURDHCQWRZ-YOEHRIQHSA-N 1 0 278.440 3.202 20 10 CGCDRO CC[C@@H]([NH2+]CCC(C)(C)CO)c1ccc(N(C)C)cc1 ZINC000296556100 373175586 /nfs/dbraw/zinc/17/55/86/373175586.db2.gz RVRCYQKPUZTWIR-MRXNPFEDSA-N 1 0 278.440 3.202 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]CCc1ccc(Cl)nc1)CC2 ZINC000297100971 373256789 /nfs/dbraw/zinc/25/67/89/373256789.db2.gz XQPKJDDXKUFPLU-CYBMUJFWSA-N 1 0 288.778 3.260 20 10 CGCDRO Cn1cc(Cl)cc1C[N@H+](C)Cc1ccccc1O ZINC000179585896 373890572 /nfs/dbraw/zinc/89/05/72/373890572.db2.gz HEYHIXZJMCHTCG-UHFFFAOYSA-N 1 0 264.756 3.016 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](C)[C@H]2C)cc1OC ZINC000179942076 373944918 /nfs/dbraw/zinc/94/49/18/373944918.db2.gz RYLSGLCUACMSDD-NWDGAFQWSA-N 1 0 279.380 3.030 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CCc2cc(F)ccc2C1 ZINC000181440830 374123174 /nfs/dbraw/zinc/12/31/74/374123174.db2.gz GIOOGFRTELIHOJ-UHFFFAOYSA-N 1 0 257.308 3.090 20 10 CGCDRO C[C@H]([NH2+]CCCOC1CCCC1)c1ccccc1O ZINC000183472110 374418700 /nfs/dbraw/zinc/41/87/00/374418700.db2.gz WONRHVKFOYGFPF-ZDUSSCGKSA-N 1 0 263.381 3.392 20 10 CGCDRO CO[C@@H](C[NH2+][C@@H](C)c1ccccc1O)C(C)(C)C ZINC000183539395 374423908 /nfs/dbraw/zinc/42/39/08/374423908.db2.gz CYRGPGCDRCDXMP-FZMZJTMJSA-N 1 0 251.370 3.104 20 10 CGCDRO CCCOc1ccc(C[N@H+](C)Cc2cccnc2)c(O)c1 ZINC000183660784 374440674 /nfs/dbraw/zinc/44/06/74/374440674.db2.gz HSIBZTJHQAKJGC-UHFFFAOYSA-N 1 0 286.375 3.208 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CC(C)(C)OC1(C)C)c1ccccc1O ZINC000183714511 374444987 /nfs/dbraw/zinc/44/49/87/374444987.db2.gz KDGLQZOTSMJODG-SMDDNHRTSA-N 1 0 263.381 3.389 20 10 CGCDRO CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(F)cc2[O-])C1 ZINC000185358080 374646603 /nfs/dbraw/zinc/64/66/03/374646603.db2.gz AOGBEMOYYXGCTA-KBPBESRZSA-N 1 0 294.414 3.302 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CC(C)(C)CCO)cc1 ZINC000269005641 378172280 /nfs/dbraw/zinc/17/22/80/378172280.db2.gz WBHQALIXUMMPCD-CQSZACIVSA-N 1 0 278.440 3.202 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](COC)C2)cc1 ZINC000271214503 378484386 /nfs/dbraw/zinc/48/43/86/378484386.db2.gz ZKGSJUKPDAAGIH-INIZCTEOSA-N 1 0 276.424 3.001 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCO[C@@H](C(C)C)C2)c1 ZINC000271574053 378497580 /nfs/dbraw/zinc/49/75/80/378497580.db2.gz UNMUGYJJRLFJRG-RHSMWYFYSA-N 1 0 293.407 3.084 20 10 CGCDRO Cc1cc(C)cc([C@@H](O)C[NH2+][C@@H](C)c2ccccc2O)c1 ZINC000271699013 378500796 /nfs/dbraw/zinc/50/07/96/378500796.db2.gz SYPFLSCETZWFEH-KSSFIOAISA-N 1 0 285.387 3.393 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000272353626 378619234 /nfs/dbraw/zinc/61/92/34/378619234.db2.gz DNQCVEFOBUQCOU-CQSZACIVSA-N 1 0 299.374 3.032 20 10 CGCDRO COc1ccc(C[NH2+][C@@]2(C)CCO[C@H]2C2CC2)cc1C ZINC000273171923 378737422 /nfs/dbraw/zinc/73/74/22/378737422.db2.gz WBQNTOWBSIQXNW-IRXDYDNUSA-N 1 0 275.392 3.051 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)Cn1cccn1)c1cc2c(cc1O)CCCC2 ZINC000273355802 378741792 /nfs/dbraw/zinc/74/17/92/378741792.db2.gz CQBPJTFGZKEFQW-UONOGXRCSA-N 1 0 299.418 3.207 20 10 CGCDRO CS[C@@H](C)C[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000273511628 378749540 /nfs/dbraw/zinc/74/95/40/378749540.db2.gz RUTOCSIFQVKVRK-CMPLNLGQSA-N 1 0 253.411 3.411 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCOC3(CCC3)C2)c(O)c1 ZINC000273502137 378750004 /nfs/dbraw/zinc/75/00/04/378750004.db2.gz QJGVEWSLVTWJNZ-KGLIPLIRSA-N 1 0 275.392 3.453 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C2CCN(C3CCC3)CC2)c1 ZINC000273563035 378751925 /nfs/dbraw/zinc/75/19/25/378751925.db2.gz IRWCZZSWEHOBGU-CQSZACIVSA-N 1 0 288.435 3.368 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](C)C[C@H](C)O)c(O)c1C ZINC000273615562 378755365 /nfs/dbraw/zinc/75/53/65/378755365.db2.gz XDWOZUDRTPZQDL-JKOKRWQUSA-N 1 0 265.397 3.067 20 10 CGCDRO Cc1ccc([C@H](O)C[NH2+][C@H](C)c2cc(Cl)ccc2O)o1 ZINC000273592908 378756634 /nfs/dbraw/zinc/75/66/34/378756634.db2.gz PSJUTNCPQUUIKW-QMTHXVAHSA-N 1 0 295.766 3.331 20 10 CGCDRO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1cc(C)ccc1O ZINC000373178286 379234707 /nfs/dbraw/zinc/23/47/07/379234707.db2.gz SVBVAZKSIJZRKS-MRXNPFEDSA-N 1 0 285.391 3.080 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@]23CCOC3)c1O ZINC000375311329 379491276 /nfs/dbraw/zinc/49/12/76/379491276.db2.gz UGFFXLOKHSISMX-OAHLLOKOSA-N 1 0 281.783 3.109 20 10 CGCDRO Oc1ccc2ccccc2c1C[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000376081367 379521806 /nfs/dbraw/zinc/52/18/06/379521806.db2.gz JUWOSDJRHUPRBD-GOSISDBHSA-N 1 0 283.371 3.156 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CSC2(C)C)c1 ZINC000283200793 380044902 /nfs/dbraw/zinc/04/49/02/380044902.db2.gz LHOYSFOFUDPYDD-GXFFZTMASA-N 1 0 251.395 3.245 20 10 CGCDRO Cc1cc(C[NH2+][C@H](C)c2ccc3ccccc3c2O)n(C)n1 ZINC000284565281 380140366 /nfs/dbraw/zinc/14/03/66/380140366.db2.gz YNBSBIUFIHDNFC-CYBMUJFWSA-N 1 0 295.386 3.438 20 10 CGCDRO CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](CC)c2ccc(F)cc2[O-])C1 ZINC000286319110 380195208 /nfs/dbraw/zinc/19/52/08/380195208.db2.gz XNGVNUHWYSTCAO-XJKSGUPXSA-N 1 0 294.414 3.304 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1 ZINC000365624085 382290612 /nfs/dbraw/zinc/29/06/12/382290612.db2.gz SITTXTURUONFQG-IAGOWNOFSA-N 1 0 287.403 3.234 20 10 CGCDRO COc1cc(Cl)cc(C[N@@H+]2C[C@H]3CC[C@@H]2C3)c1O ZINC000184682408 262291281 /nfs/dbraw/zinc/29/12/81/262291281.db2.gz HJAOJJNYGLSQRM-JOYOIKCWSA-N 1 0 267.756 3.039 20 10 CGCDRO CCCOc1ccc(C[N@@H+]2CC[C@@H](OC)C[C@@H]2C)c(O)c1 ZINC000282206881 392284623 /nfs/dbraw/zinc/28/46/23/392284623.db2.gz HDKRDBSTLNTTQX-DZGCQCFKSA-N 1 0 293.407 3.180 20 10 CGCDRO CCSCC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000119487157 392396461 /nfs/dbraw/zinc/39/64/61/392396461.db2.gz AHUWJBMNRULEDZ-OAHLLOKOSA-N 1 0 295.448 3.126 20 10 CGCDRO CCOc1ccc(C[NH2+]Cc2ccccc2O)cc1OC ZINC000134226481 392466496 /nfs/dbraw/zinc/46/64/96/392466496.db2.gz AZYCHDBZEXHOJT-UHFFFAOYSA-N 1 0 287.359 3.089 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)CN(C)C(C)C)c(O)c1 ZINC000290126524 392440949 /nfs/dbraw/zinc/44/09/49/392440949.db2.gz JRMKCHPPAMNCTL-ZIAGYGMSSA-N 1 0 264.413 3.080 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1CSCCS1)c1ccc(N(C)C)cc1 ZINC000132536011 392460585 /nfs/dbraw/zinc/46/05/85/392460585.db2.gz DOVZUPMFMYPYFG-DOMZBBRYSA-N 1 0 296.505 3.252 20 10 CGCDRO Cc1cc(Cl)cc(C[N@H+](C)CCc2ccccn2)c1O ZINC000120813540 392403807 /nfs/dbraw/zinc/40/38/07/392403807.db2.gz SDHGLGRUWWAUSG-UHFFFAOYSA-N 1 0 290.794 3.424 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1ccccn1 ZINC000296170331 392554589 /nfs/dbraw/zinc/55/45/89/392554589.db2.gz XOZSGMZODJSWRW-SMDDNHRTSA-N 1 0 254.333 3.125 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@]2(C)CCO[C@H]2C2CC2)cc1C ZINC000372069023 392580538 /nfs/dbraw/zinc/58/05/38/392580538.db2.gz VHLVKPBGEXQYEF-ROUUACIJSA-N 1 0 289.419 3.304 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H]2CCCOC2)cc1 ZINC000178425697 392678615 /nfs/dbraw/zinc/67/86/15/392678615.db2.gz VWPHYYYXXXXWEU-GJZGRUSLSA-N 1 0 276.424 3.220 20 10 CGCDRO CO[C@H](C)C[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000191207147 392824045 /nfs/dbraw/zinc/82/40/45/392824045.db2.gz QZNBFAXOAGVMCW-NEPJUHHUSA-N 1 0 259.349 3.231 20 10 CGCDRO COCC[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccco1 ZINC000272519332 393263155 /nfs/dbraw/zinc/26/31/55/393263155.db2.gz ITKSPDCCXHCZJJ-INIZCTEOSA-N 1 0 288.391 3.213 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc(OC)nc1)c1ccccc1O ZINC000020186330 171050270 /nfs/dbraw/zinc/05/02/70/171050270.db2.gz IKWLUWALDZTGPP-CQSZACIVSA-N 1 0 272.348 3.037 20 10 CGCDRO CC1(C)CN(C(=O)c2ccccc2CC[NH3+])c2ccccc21 ZINC000653097647 419015856 /nfs/dbraw/zinc/01/58/56/419015856.db2.gz RHQFZCQROXXTET-UHFFFAOYSA-N 1 0 294.398 3.126 20 10 CGCDRO Cc1c([C@@H](C)[NH2+][C@H](C)c2ccc(C)cc2O)cnn1C ZINC000037167345 260072105 /nfs/dbraw/zinc/07/21/05/260072105.db2.gz DQEBJKGYLFBPBV-VXGBXAGGSA-N 1 0 273.380 3.154 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)C[C@H]2CCCOC2)cc1 ZINC000151899496 261056546 /nfs/dbraw/zinc/05/65/46/261056546.db2.gz UYVMSJHOYZZFAC-QGZVFWFLSA-N 1 0 290.451 3.391 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H](O)C1CCCCC1)c1ccccc1O ZINC000155602606 261104636 /nfs/dbraw/zinc/10/46/36/261104636.db2.gz ILSBVWNDSRRAFG-WBVHZDCISA-N 1 0 277.408 3.374 20 10 CGCDRO CC[C@H]([NH2+]C[C@H](OC)C(C)(C)C)c1ccccc1O ZINC000156152819 261115196 /nfs/dbraw/zinc/11/51/96/261115196.db2.gz JTHXJZXDRLMVII-ZFWWWQNUSA-N 1 0 265.397 3.494 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](OC)C(C)(C)C)c1ccccc1O ZINC000156153085 261115435 /nfs/dbraw/zinc/11/54/35/261115435.db2.gz JTHXJZXDRLMVII-DZGCQCFKSA-N 1 0 265.397 3.494 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCO[C@H](C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000157843774 261153972 /nfs/dbraw/zinc/15/39/72/261153972.db2.gz OWKATSZWVAWCSD-QBIMZIAESA-N 1 0 288.435 3.361 20 10 CGCDRO CC[C@H](CCO)C[NH2+][C@@H](CC)c1ccc(N(C)C)cc1 ZINC000166797513 261392929 /nfs/dbraw/zinc/39/29/29/261392929.db2.gz DOPVEZJWGLVJRK-PBHICJAKSA-N 1 0 278.440 3.202 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(Cl)nc2)c1 ZINC000182387628 261936417 /nfs/dbraw/zinc/93/64/17/261936417.db2.gz KZNTVVVCEDJYEH-JTQLQIEISA-N 1 0 292.766 3.300 20 10 CGCDRO C[C@H]([NH2+]C[C@H](O)C1CCCCC1)c1cc(F)ccc1O ZINC000185328377 262051060 /nfs/dbraw/zinc/05/10/60/262051060.db2.gz WKTFOBBHRRBWPT-ZBEGNZNMSA-N 1 0 281.371 3.123 20 10 CGCDRO Cc1nn(C)cc1[C@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000185348274 262051810 /nfs/dbraw/zinc/05/18/10/262051810.db2.gz SQTPUBXSOCPOES-UWVGGRQHSA-N 1 0 293.798 3.499 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@](C)(O)c2ccccc2)c(O)c1 ZINC000185454341 262054728 /nfs/dbraw/zinc/05/47/28/262054728.db2.gz WCSGMRUMMLBNBV-RDTXWAMCSA-N 1 0 285.387 3.259 20 10 CGCDRO CCc1cnc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)s1 ZINC000185584270 262305873 /nfs/dbraw/zinc/30/58/73/262305873.db2.gz SKUGRMMSYJGSDL-JTQLQIEISA-N 1 0 292.404 3.271 20 10 CGCDRO CCCc1nc(C)c(C[NH2+]Cc2cc(F)ccc2O)o1 ZINC000292714017 263134179 /nfs/dbraw/zinc/13/41/79/263134179.db2.gz DOHOMTGSLGYEFH-UHFFFAOYSA-N 1 0 278.327 3.070 20 10 CGCDRO CCOC[C@H]([NH2+][C@@H](C)c1cc(OC)ccc1O)C(C)C ZINC000189364171 264293834 /nfs/dbraw/zinc/29/38/34/264293834.db2.gz QSXPDGWBLGYLOS-WFASDCNBSA-N 1 0 281.396 3.113 20 10 CGCDRO COCC[C@H]1CCCC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000368675260 267197498 /nfs/dbraw/zinc/19/74/98/267197498.db2.gz MSYQEWSSEYQSNI-CQSZACIVSA-N 1 0 293.407 3.039 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCc3c2cnn3C)c1 ZINC000037087406 280920811 /nfs/dbraw/zinc/92/08/11/280920811.db2.gz LSLPSWBIAQWRQR-IUODEOHRSA-N 1 0 285.391 3.162 20 10 CGCDRO Cc1cccc(C[NH2+][C@H]2CCOC3(CCCC3)C2)c1O ZINC000182623151 327814172 /nfs/dbraw/zinc/81/41/72/327814172.db2.gz CBBLQXOYNZVDCE-HNNXBMFYSA-N 1 0 275.392 3.282 20 10 CGCDRO CC(C)c1nnc([C@H](C)[NH2+][C@@H](C)c2ccccc2O)[nH]1 ZINC000272852030 328200917 /nfs/dbraw/zinc/20/09/17/328200917.db2.gz LHHCGPXMAAPTHD-QWRGUYRKSA-N 1 0 274.368 3.046 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C(C)C)C(C)(C)O)c(O)c1 ZINC000276935495 328220303 /nfs/dbraw/zinc/22/03/03/328220303.db2.gz SUQYHERTEAMJEH-DOMZBBRYSA-N 1 0 265.397 3.147 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]CCCC(C)(C)COC)c1 ZINC000290101981 328257961 /nfs/dbraw/zinc/25/79/61/328257961.db2.gz KIQQUIMAPDVZCI-UHFFFAOYSA-N 1 0 295.423 3.333 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1CCOC1(C)C)c1ccc(C)cc1O ZINC000296577992 328291212 /nfs/dbraw/zinc/29/12/12/328291212.db2.gz UCFCBIAMUFAIGN-UKRRQHHQSA-N 1 0 263.381 3.309 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCOC1(C)C)c1ccc(C)cc1O ZINC000296577994 328291222 /nfs/dbraw/zinc/29/12/22/328291222.db2.gz UCFCBIAMUFAIGN-ZFWWWQNUSA-N 1 0 263.381 3.309 20 10 CGCDRO Cc1n[nH]cc1C1CC[NH+](Cc2cc(C)c(C)cc2O)CC1 ZINC000375268069 329002487 /nfs/dbraw/zinc/00/24/87/329002487.db2.gz RZGXMIVPNVQGSF-UHFFFAOYSA-N 1 0 299.418 3.420 20 10 CGCDRO Cc1cnn(-c2cc[nH+]cc2NCc2cc(F)ccc2O)c1 ZINC000180895519 329223621 /nfs/dbraw/zinc/22/36/21/329223621.db2.gz VSSKWPIPPOZFJC-UHFFFAOYSA-N 1 0 298.321 3.033 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+][C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)c2c1c(F)ccc2O ZINC000527998478 330299877 /nfs/dbraw/zinc/29/98/77/330299877.db2.gz BDXPNHWPHKJCHC-GYZMNQPYSA-N 1 0 293.382 3.481 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1ncccc1F)c1cc(F)ccc1O ZINC000528036592 330302955 /nfs/dbraw/zinc/30/29/55/330302955.db2.gz UKCZUCYLVGZREQ-ZJUUUORDSA-N 1 0 278.302 3.477 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2CCSC2)cc1 ZINC000226374604 333258673 /nfs/dbraw/zinc/25/86/73/333258673.db2.gz DQZVTCUKYFOPRT-OAHLLOKOSA-N 1 0 278.465 3.376 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)[C@@H]2C[C@H]2C2CC2)c1 ZINC000529569050 333498261 /nfs/dbraw/zinc/49/82/61/333498261.db2.gz JAAYDJHKTPCJPF-XYJYNPGVSA-N 1 0 275.392 3.486 20 10 CGCDRO COc1ccc(O)c(C[NH2+]CC[C@@H]2CC=CCC2)c1 ZINC000529667313 333504867 /nfs/dbraw/zinc/50/48/67/333504867.db2.gz YPHMDDTYHQGRMP-CYBMUJFWSA-N 1 0 261.365 3.237 20 10 CGCDRO COCCC1CC[NH+](Cc2cc3c(cc2O)CCC3)CC1 ZINC000530097489 333522929 /nfs/dbraw/zinc/52/29/29/333522929.db2.gz ODBXLOZVSDQATL-UHFFFAOYSA-N 1 0 289.419 3.129 20 10 CGCDRO CCOc1cc(C[N@H+](C)Cc2ccccc2O)ccc1O ZINC000297895798 520693661 /nfs/dbraw/zinc/69/36/61/520693661.db2.gz RHCLABJENOEGFX-UHFFFAOYSA-N 1 0 287.359 3.129 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]Cc2cnn(CC)c2)cc1 ZINC000264944124 520908931 /nfs/dbraw/zinc/90/89/31/520908931.db2.gz SRKWXBRTXKKTDP-UHFFFAOYSA-N 1 0 286.423 3.039 20 10 CGCDRO CC[N@H+](Cc1cc(OC)c(OC)cc1O)CC(C)(C)C ZINC000291068239 521293195 /nfs/dbraw/zinc/29/31/95/521293195.db2.gz LBMFCUWBUKCKAH-UHFFFAOYSA-N 1 0 281.396 3.277 20 10 CGCDRO CCc1cnc(C[NH2+][C@H]2CCc3cccc(O)c32)s1 ZINC000297562258 522041734 /nfs/dbraw/zinc/04/17/34/522041734.db2.gz GESQACJPAKVXGB-LBPRGKRZSA-N 1 0 274.389 3.188 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CC2CC(F)(F)C2)cc1F ZINC000291663473 522206338 /nfs/dbraw/zinc/20/63/38/522206338.db2.gz FIFXYZNYVXKNHL-UHFFFAOYSA-N 1 0 272.314 3.027 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CC2=Cc3ccccc3OC2)cc1 ZINC000102420118 522206783 /nfs/dbraw/zinc/20/67/83/522206783.db2.gz FTPZTKVKMNUABA-UHFFFAOYSA-N 1 0 294.398 3.318 20 10 CGCDRO CCc1ncc(C[NH2+]Cc2ccc(N(C)C)cc2)s1 ZINC000037923923 522552399 /nfs/dbraw/zinc/55/23/99/522552399.db2.gz ZNQYPKDFECGBBX-UHFFFAOYSA-N 1 0 275.421 3.061 20 10 CGCDRO COC[C@H](C)C[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000045656365 522581955 /nfs/dbraw/zinc/58/19/55/522581955.db2.gz KGSZWCSBWMJYIW-OLZOCXBDSA-N 1 0 273.376 3.479 20 10 CGCDRO CC[C@H]([NH2+]CCCc1c[nH]nc1C)c1ccccc1O ZINC000050182421 522587807 /nfs/dbraw/zinc/58/78/07/522587807.db2.gz OMUVWGVLMDGERB-HNNXBMFYSA-N 1 0 273.380 3.097 20 10 CGCDRO CC[C@H]([NH2+]CC[C@H](C)CCO)c1ccc(N(C)C)cc1 ZINC000297353795 522599641 /nfs/dbraw/zinc/59/96/41/522599641.db2.gz PGLSBSHTLIGJPT-YOEHRIQHSA-N 1 0 278.440 3.202 20 10 CGCDRO COC[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1ccccc1 ZINC000296685981 522762448 /nfs/dbraw/zinc/76/24/48/522762448.db2.gz GVHCSFQDWPGCAY-CVEARBPZSA-N 1 0 283.371 3.357 20 10 CGCDRO CC[C@@H]([NH2+]CCOc1ncccc1F)c1ccccc1O ZINC000274916559 522840065 /nfs/dbraw/zinc/84/00/65/522840065.db2.gz OILDJWLDELYOMO-CQSZACIVSA-N 1 0 290.338 3.046 20 10 CGCDRO CC[C@@H]([NH2+]CCc1cccnc1)c1ccccc1O ZINC000037717817 522841742 /nfs/dbraw/zinc/84/17/42/522841742.db2.gz AAWDHCUOWKIJHR-OAHLLOKOSA-N 1 0 256.349 3.071 20 10 CGCDRO CC[C@@H]([NH2+]CCc1ccccn1)c1ccc(C)cc1O ZINC000280003262 522842489 /nfs/dbraw/zinc/84/24/89/522842489.db2.gz GBZIFLUPOLDOHK-MRXNPFEDSA-N 1 0 270.376 3.379 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H](C)N(C)C1CC1)c1ccc(C)cc1O ZINC000280142466 522859165 /nfs/dbraw/zinc/85/91/65/522859165.db2.gz PUBPXGVFNPZVAH-XJKSGUPXSA-N 1 0 276.424 3.224 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](C)Cn1ccnc1)c1ccc(C)cc1O ZINC000280075723 522912529 /nfs/dbraw/zinc/91/25/29/522912529.db2.gz LJYDGWJLKYHCHY-DZGCQCFKSA-N 1 0 273.380 3.027 20 10 CGCDRO CC[C@@H]([NH2+][C@H]1CSC1(C)C)c1ccccc1O ZINC000282681513 522954166 /nfs/dbraw/zinc/95/41/66/522954166.db2.gz AAGZPTMEQJWDFB-YPMHNXCESA-N 1 0 251.395 3.327 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CC(C)(C)[C@H]2C2CC2)c1 ZINC000291642234 524739487 /nfs/dbraw/zinc/73/94/87/524739487.db2.gz TWKHHXQBTHCLMK-OAHLLOKOSA-N 1 0 261.365 3.021 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H]2c2ccncc2)c1 ZINC000289843138 524740089 /nfs/dbraw/zinc/74/00/89/524740089.db2.gz PLALOWUYBVKEEB-INIZCTEOSA-N 1 0 284.359 3.133 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+]CC2CC(F)(F)C2)c1O ZINC000292851139 524867613 /nfs/dbraw/zinc/86/76/13/524867613.db2.gz UEGMSTUMGWWFET-UHFFFAOYSA-N 1 0 275.726 3.489 20 10 CGCDRO Cc1ccccc1[C@@H](O)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297721945 525377841 /nfs/dbraw/zinc/37/78/41/525377841.db2.gz NELZDYIUOHFPAL-WBVHZDCISA-N 1 0 283.371 3.011 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1CCOC1)c1ccc2ccccc2c1O ZINC000037738172 525504104 /nfs/dbraw/zinc/50/41/04/525504104.db2.gz LJTPRGCWLISMEW-CHWSQXEVSA-N 1 0 271.360 3.233 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CC1(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000272105431 525673268 /nfs/dbraw/zinc/67/32/68/525673268.db2.gz XSWBRQMNBDQXON-WBMJQRKESA-N 1 0 292.398 3.111 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)c(O)c1 ZINC000037668327 525734174 /nfs/dbraw/zinc/73/41/74/525734174.db2.gz PQQCHTHRFQGCJB-GFCCVEGCSA-N 1 0 286.331 3.460 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ncccc2N(C)C)c(O)c1C ZINC000289625816 525736901 /nfs/dbraw/zinc/73/69/01/525736901.db2.gz DYEZKPGIJUBAIA-CQSZACIVSA-N 1 0 299.418 3.321 20 10 CGCDRO COc1cccc(C[N@@H+]2CCC[C@@H](C3CC3)C2)c1O ZINC000290169178 525937640 /nfs/dbraw/zinc/93/76/40/525937640.db2.gz MPKCTGFIKNHJRY-CYBMUJFWSA-N 1 0 261.365 3.023 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCOC[C@H]2C)c(O)c1C ZINC000278757320 525945137 /nfs/dbraw/zinc/94/51/37/525945137.db2.gz XICLTSWYJKXDGV-ZLDLUXBVSA-N 1 0 263.381 3.085 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]CCOC1CCCCC1)CC2 ZINC000297766206 526369058 /nfs/dbraw/zinc/36/90/58/526369058.db2.gz OZLGPYIYEFYDSR-OAHLLOKOSA-N 1 0 275.392 3.318 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000289816660 526371169 /nfs/dbraw/zinc/37/11/69/526371169.db2.gz NXUDCVCRSSKRQA-OAHLLOKOSA-N 1 0 254.333 3.124 20 10 CGCDRO OC1(C[NH2+]Cc2ccc(N3CCCCC3)cc2)CCCC1 ZINC000096479198 527508633 /nfs/dbraw/zinc/50/86/33/527508633.db2.gz XNCRFAYNIVUUQH-UHFFFAOYSA-N 1 0 288.435 3.072 20 10 CGCDRO C[C@]1(C[NH2+]Cc2c(O)cccc2Cl)CCCC[C@H]1O ZINC000748243317 571673408 /nfs/dbraw/zinc/67/34/08/571673408.db2.gz XOYKHFRLTUAILS-HUUCEWRRSA-N 1 0 283.799 3.076 20 10 CGCDRO Cc1occc1C[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000727645030 571759624 /nfs/dbraw/zinc/75/96/24/571759624.db2.gz XGQOSYQZTNHTRQ-UHFFFAOYSA-N 1 0 270.376 3.260 20 10 CGCDRO CC[N@H+](Cc1c(O)ccc2ccncc21)C1CCC1 ZINC000738058840 572364474 /nfs/dbraw/zinc/36/44/74/572364474.db2.gz WATCFUMLZGGVIU-UHFFFAOYSA-N 1 0 256.349 3.315 20 10 CGCDRO CC[N@H+](CCC(=O)OC)Cc1cc(C(C)C)c(C)cc1O ZINC000738099820 572364604 /nfs/dbraw/zinc/36/46/04/572364604.db2.gz QIEDQJLCCDCPRT-UHFFFAOYSA-N 1 0 293.407 3.209 20 10 CGCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](c3ccco3)C1)CCC2 ZINC000732182633 572450530 /nfs/dbraw/zinc/45/05/30/572450530.db2.gz VILGQUGRXAPDRX-OAHLLOKOSA-N 1 0 283.371 3.463 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2cc(F)cc(F)c2)c1 ZINC000733322896 572555319 /nfs/dbraw/zinc/55/53/19/572555319.db2.gz WSOLEZSUELSRJQ-UHFFFAOYSA-N 1 0 263.287 3.269 20 10 CGCDRO C[C@@H](C[NH2+]Cc1c(O)cccc1Cl)N1CCC[C@@H](C)C1 ZINC000733324690 572555483 /nfs/dbraw/zinc/55/54/83/572555483.db2.gz TXKNGQZSLLVJPS-OLZOCXBDSA-N 1 0 296.842 3.256 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CCSC(F)(F)F)cc1F ZINC000733325088 572555557 /nfs/dbraw/zinc/55/55/57/572555557.db2.gz WUJBUJDNAVZJJN-UHFFFAOYSA-N 1 0 296.333 3.234 20 10 CGCDRO C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1c(O)ccc2ccncc21 ZINC000735668553 572737393 /nfs/dbraw/zinc/73/73/93/572737393.db2.gz VDEIYWXOAUYGAG-NEPJUHHUSA-N 1 0 288.416 3.266 20 10 CGCDRO C[C@H]1c2ccccc2C[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000747460816 572930563 /nfs/dbraw/zinc/93/05/63/572930563.db2.gz CDVUFKQBPFPBGU-NSHDSACASA-N 1 0 283.327 3.198 20 10 CGCDRO Cc1cccc(C[NH2+][C@H]2CCCO[C@@H]2CC(C)C)c1O ZINC000187680233 617620211 /nfs/dbraw/zinc/62/02/11/617620211.db2.gz LNRUDLYRIUPVOZ-JKSUJKDBSA-N 1 0 277.408 3.384 20 10 CGCDRO CC(C)CCOCC[NH2+]Cc1cc(Cl)ccc1O ZINC000045093919 618020908 /nfs/dbraw/zinc/02/09/08/618020908.db2.gz BLSVSMXPZFJDSE-UHFFFAOYSA-N 1 0 271.788 3.198 20 10 CGCDRO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H](C)[C@H]2C)c1O ZINC000050565923 618122948 /nfs/dbraw/zinc/12/29/48/618122948.db2.gz BQXUHCCWEFMTAY-GHMZBOCLSA-N 1 0 279.355 3.354 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](C)C(C)C)c1 ZINC000081046364 618237589 /nfs/dbraw/zinc/23/75/89/618237589.db2.gz LAOMYHZQAVELTJ-RYUDHWBXSA-N 1 0 251.370 3.344 20 10 CGCDRO C[N@H+](Cc1ccc2c(c1)CCCO2)Cc1ccccc1O ZINC000891714315 618254997 /nfs/dbraw/zinc/25/49/97/618254997.db2.gz VYUQSFFAODNSST-UHFFFAOYSA-N 1 0 283.371 3.349 20 10 CGCDRO CC[N@H+](Cc1ccc(OC)c(OC)c1O)[C@@H](C)C(C)C ZINC000891823132 618321575 /nfs/dbraw/zinc/32/15/75/618321575.db2.gz KMYNPAMRDARQSS-LBPRGKRZSA-N 1 0 281.396 3.276 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](OC)C2)cc1 ZINC000091772856 618725234 /nfs/dbraw/zinc/72/52/34/618725234.db2.gz ITBCTGCOBLPYGC-QGZVFWFLSA-N 1 0 276.424 3.144 20 10 CGCDRO CC[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccccc1O ZINC000179553849 618795635 /nfs/dbraw/zinc/79/56/35/618795635.db2.gz IOCGQEPSXSFTME-UHFFFAOYSA-N 1 0 285.343 3.143 20 10 CGCDRO CC(C)[C@H](CO)[N@H+](Cc1ccccc1)Cc1ccccc1O ZINC000179577512 618796234 /nfs/dbraw/zinc/79/62/34/618796234.db2.gz OQMOUSAFACARSK-SFHVURJKSA-N 1 0 299.414 3.411 20 10 CGCDRO COc1ccc(C[NH2+]Cc2cccc(C)c2)c(O)c1OC ZINC000892502837 618816150 /nfs/dbraw/zinc/81/61/50/618816150.db2.gz XPWWUIPGYIHVLV-UHFFFAOYSA-N 1 0 287.359 3.008 20 10 CGCDRO CC[C@@H]([NH2+]CCc1c(C)nn(C)c1C)c1ccccc1O ZINC000155011629 618832018 /nfs/dbraw/zinc/83/20/18/618832018.db2.gz WYVGEJCVPTUMRH-MRXNPFEDSA-N 1 0 287.407 3.026 20 10 CGCDRO Oc1cccc(Cl)c1C[N@@H+]1CCC2(C1)CCOCC2 ZINC000311372309 618906317 /nfs/dbraw/zinc/90/63/17/618906317.db2.gz JJBQLBGIHXHSOY-UHFFFAOYSA-N 1 0 281.783 3.048 20 10 CGCDRO CSCC[C@@H](C)[NH2+][C@H](C)c1ccc(C)cc1O ZINC000168789686 618913945 /nfs/dbraw/zinc/91/39/45/618913945.db2.gz SPIOHBWXOBUOIO-VXGBXAGGSA-N 1 0 253.411 3.493 20 10 CGCDRO CC[C@H](CSC)[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000168862246 618914056 /nfs/dbraw/zinc/91/40/56/618914056.db2.gz BYEQAFAAEHRENV-NWDGAFQWSA-N 1 0 253.411 3.493 20 10 CGCDRO CSCCCC[NH2+][C@H](C)c1ccc(C)cc1O ZINC000168785031 618914237 /nfs/dbraw/zinc/91/42/37/618914237.db2.gz XKPWZHHIBDJTGM-GFCCVEGCSA-N 1 0 253.411 3.494 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H]1CCCOCC1 ZINC000840894327 618944402 /nfs/dbraw/zinc/94/44/02/618944402.db2.gz QLACIZHDHZFTEQ-DOTOQJQBSA-N 1 0 290.451 3.151 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H](C)c1ncc[nH]1 ZINC000840894408 618946243 /nfs/dbraw/zinc/94/62/43/618946243.db2.gz RCWRTUJNQGJMPU-UONOGXRCSA-N 1 0 286.423 3.066 20 10 CGCDRO CCC[C@@H](C)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000179617080 619009227 /nfs/dbraw/zinc/00/92/27/619009227.db2.gz HOAMZUAXBSSQPX-MRXNPFEDSA-N 1 0 290.451 3.391 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2nc3ccccc3o2)c1 ZINC000182429712 619036678 /nfs/dbraw/zinc/03/66/78/619036678.db2.gz YNXBLVWEYVFDCR-NSHDSACASA-N 1 0 298.342 3.393 20 10 CGCDRO CC[C@@H]([NH2+]CCCSc1nccs1)c1nccn1C ZINC000182993005 619042067 /nfs/dbraw/zinc/04/20/67/619042067.db2.gz QYBPYFMQABZJGC-LLVKDONJSA-N 1 0 296.465 3.100 20 10 CGCDRO C[C@@H]([NH2+]CCc1cn2ccccc2n1)c1cc(F)ccc1O ZINC000184970162 619056514 /nfs/dbraw/zinc/05/65/14/619056514.db2.gz OMFAROAWQNZEFJ-GFCCVEGCSA-N 1 0 299.349 3.072 20 10 CGCDRO COc1cc(C)cc(C[NH+]2CC(C)(C)OC(C)(C)C2)c1O ZINC000190430445 619099396 /nfs/dbraw/zinc/09/93/96/619099396.db2.gz CGNBLKDEITWKCA-UHFFFAOYSA-N 1 0 293.407 3.099 20 10 CGCDRO c1cc(N2CCOCC2)ccc1C[NH2+]C1CCCCCC1 ZINC000020122664 619133866 /nfs/dbraw/zinc/13/38/66/619133866.db2.gz OFAPBFKUSGVUBU-UHFFFAOYSA-N 1 0 288.435 3.336 20 10 CGCDRO COc1ccc(O)c(C[N@H+](CC2CCC2)C(C)C)c1 ZINC000195080067 619146381 /nfs/dbraw/zinc/14/63/81/619146381.db2.gz FHSZGFHDSVNYPK-UHFFFAOYSA-N 1 0 263.381 3.411 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCOCC2CCCC2)c1 ZINC000313246724 619165405 /nfs/dbraw/zinc/16/54/05/619165405.db2.gz ABCBPSJNSQBULZ-CYBMUJFWSA-N 1 0 293.407 3.258 20 10 CGCDRO C[C@H](C[NH2+][C@@H](C)c1cc(F)ccc1O)N1CCC(C)CC1 ZINC000185227660 625324738 /nfs/dbraw/zinc/32/47/38/625324738.db2.gz UPEFAQJLUNVNIR-KGLIPLIRSA-N 1 0 294.414 3.302 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@H](C)C[C@H]1[C@H](C)O ZINC000840939764 619230696 /nfs/dbraw/zinc/23/06/96/619230696.db2.gz QDSGMNPEUCXHEA-YEWWUXTCSA-N 1 0 290.451 3.042 20 10 CGCDRO Cc1cc([C@H]2CCC[N@@H+]2Cc2cc(F)cc(F)c2[O-])on1 ZINC000893994337 619345121 /nfs/dbraw/zinc/34/51/21/619345121.db2.gz DEGVGDHOWXFXLK-CYBMUJFWSA-N 1 0 294.301 3.304 20 10 CGCDRO CCCN(Cc1cnc(F)cc1C)c1ccc(C[NH3+])cc1 ZINC000894045266 619358069 /nfs/dbraw/zinc/35/80/69/619358069.db2.gz GEINAOORKMUFPK-UHFFFAOYSA-N 1 0 287.382 3.404 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@](C)(O)C(C)C)cc1F ZINC000236908365 619371274 /nfs/dbraw/zinc/37/12/74/619371274.db2.gz HPFAHABSKWBQMA-KRWDZBQOSA-N 1 0 296.430 3.169 20 10 CGCDRO COc1cc(C)cc(C[NH2+]CCOC2CCCCC2)c1O ZINC000894206531 619417314 /nfs/dbraw/zinc/41/73/14/619417314.db2.gz JBMSCKZEAWPEQZ-UHFFFAOYSA-N 1 0 293.407 3.148 20 10 CGCDRO COc1ccc(C[NH+]2CCC3(CCC3)CC2)c(O)c1OC ZINC000894421972 619533421 /nfs/dbraw/zinc/53/34/21/619533421.db2.gz GPTXMCCTZBXRRP-UHFFFAOYSA-N 1 0 291.391 3.176 20 10 CGCDRO COc1ccc(C[N@@H+]2CC[C@@H](C)C[C@H]2C)c(O)c1OC ZINC000895009963 619694609 /nfs/dbraw/zinc/69/46/09/619694609.db2.gz MEIVOYFLWGQPCB-VXGBXAGGSA-N 1 0 279.380 3.030 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2C[C@@H](C)OC(C)(C)C2)cc1C ZINC000049176434 619706922 /nfs/dbraw/zinc/70/69/22/619706922.db2.gz VFVMFMKGFYZLDM-CYBMUJFWSA-N 1 0 263.381 3.008 20 10 CGCDRO CN(C)[C@H](C[NH2+]Cc1cc(Cl)ccc1O)c1ccco1 ZINC000020122297 619766894 /nfs/dbraw/zinc/76/68/94/619766894.db2.gz DYOBZFYKALYYOP-CYBMUJFWSA-N 1 0 294.782 3.031 20 10 CGCDRO CC[C@@H]([NH2+][C@H](COC)C(C)C)c1ccc(C)cc1O ZINC000794805620 619775213 /nfs/dbraw/zinc/77/52/13/619775213.db2.gz XXBXKVWWVTVWCK-HUUCEWRRSA-N 1 0 265.397 3.412 20 10 CGCDRO CCC[C@H](C[NH2+]Cc1cc(C)cc(OC)c1O)OCC ZINC000895389200 619819042 /nfs/dbraw/zinc/81/90/42/619819042.db2.gz MGFDVDSJDAVTMI-CQSZACIVSA-N 1 0 281.396 3.004 20 10 CGCDRO CC(C)Cn1ccnc1C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000185546387 625374726 /nfs/dbraw/zinc/37/47/26/625374726.db2.gz ZNYOSBYFTMVFCN-GFCCVEGCSA-N 1 0 291.370 3.235 20 10 CGCDRO C[C@@]1(O)C[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000841892489 619873006 /nfs/dbraw/zinc/87/30/06/619873006.db2.gz ZQTIQTMTOSWUPO-MAEOIBBWSA-N 1 0 283.371 3.062 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2ccc3c(c2)C[C@H](C)O3)c(O)c1 ZINC000896822887 620071579 /nfs/dbraw/zinc/07/15/79/620071579.db2.gz AOTFHIIIUKTDHC-ZDUSSCGKSA-N 1 0 283.371 3.314 20 10 CGCDRO CCOc1ccc(O)c(C[NH+]2CCC(CSC)CC2)c1 ZINC000896936812 620107350 /nfs/dbraw/zinc/10/73/50/620107350.db2.gz FIHKSTXGYKRWNR-UHFFFAOYSA-N 1 0 295.448 3.366 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]CC[C@H]1CCC2(CCC2)O1 ZINC000897246581 620172271 /nfs/dbraw/zinc/17/22/71/620172271.db2.gz XBSIZWWVOBNEPR-CQSZACIVSA-N 1 0 275.392 3.282 20 10 CGCDRO Cc1csc(C[C@H]2CC[N@H+](Cc3ccccc3O)C2)n1 ZINC000897298990 620185430 /nfs/dbraw/zinc/18/54/30/620185430.db2.gz PXUSYIPLWAOYQS-CYBMUJFWSA-N 1 0 288.416 3.222 20 10 CGCDRO Cc1ccc(C[NH2+]CCc2c(F)cc(O)cc2F)c(O)c1 ZINC000897304312 620186940 /nfs/dbraw/zinc/18/69/40/620186940.db2.gz AYGIQFLXINFCIY-UHFFFAOYSA-N 1 0 293.313 3.017 20 10 CGCDRO [NH2+]=C(NCCCSc1nccs1)Nc1ccccc1 ZINC000304292616 620198691 /nfs/dbraw/zinc/19/86/91/620198691.db2.gz JXRGQHPTLGCFRC-UHFFFAOYSA-N 1 0 292.433 3.262 20 10 CGCDRO Cc1noc(C)c1[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000073007623 625407351 /nfs/dbraw/zinc/40/73/51/625407351.db2.gz LZMWJBBIMOEWDO-NSHDSACASA-N 1 0 273.380 3.208 20 10 CGCDRO COc1ccc(CNCC[NH+](C(C)C)C(C)C)cc1C ZINC000035052649 620265650 /nfs/dbraw/zinc/26/56/50/620265650.db2.gz GGSWMCYECNTYSA-UHFFFAOYSA-N 1 0 278.440 3.212 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H](C)c2ccc3c(c2)CCO3)c1 ZINC000897419581 620298078 /nfs/dbraw/zinc/29/80/78/620298078.db2.gz MVGMIAWVKCYUTP-CYBMUJFWSA-N 1 0 283.371 3.486 20 10 CGCDRO CCc1noc(CC)c1C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000185678854 625412915 /nfs/dbraw/zinc/41/29/15/625412915.db2.gz IYPCIRUFSWKICV-JTQLQIEISA-N 1 0 292.354 3.495 20 10 CGCDRO Cc1ccc([C@H](O)C[NH2+][C@H](C)c2ccc(Cl)cc2O)o1 ZINC000841755764 620399383 /nfs/dbraw/zinc/39/93/83/620399383.db2.gz RTTOMMRRIDKQOU-QMTHXVAHSA-N 1 0 295.766 3.331 20 10 CGCDRO CCOc1cccc(CNc2ccc([C@H](C)[NH3+])cc2)c1O ZINC000841029530 620407220 /nfs/dbraw/zinc/40/72/20/620407220.db2.gz VZYSOKFTJOQHFM-LBPRGKRZSA-N 1 0 286.375 3.423 20 10 CGCDRO C[C@H]([NH2+][C@H](CO)CC1CCCCC1)c1ccccc1O ZINC000841762990 620407619 /nfs/dbraw/zinc/40/76/19/620407619.db2.gz SQNVZPMRSHTMOJ-ZFWWWQNUSA-N 1 0 277.408 3.374 20 10 CGCDRO Nc1ccc(CC[NH2+]Cc2cccc(OC(F)F)c2)cc1 ZINC000841036011 620422379 /nfs/dbraw/zinc/42/23/79/620422379.db2.gz RRVRVISYZLVPAM-UHFFFAOYSA-N 1 0 292.329 3.203 20 10 CGCDRO CCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)c(O)c1 ZINC000897748701 620423265 /nfs/dbraw/zinc/42/32/65/620423265.db2.gz AVSITXMDETZSML-LQDVMPOASA-N 1 0 293.432 3.307 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)cc1C ZINC000897810481 620435930 /nfs/dbraw/zinc/43/59/30/620435930.db2.gz SYMQYNTWGVSIPY-DZXRDFMUSA-N 1 0 287.403 3.049 20 10 CGCDRO CCc1cccc(C[NH2+][C@H](C)Cc2cccnc2)c1O ZINC000897967010 620458742 /nfs/dbraw/zinc/45/87/42/620458742.db2.gz JESANTNHJZQVQV-CYBMUJFWSA-N 1 0 270.376 3.070 20 10 CGCDRO CCOc1cccc(C[NH2+]C[C@H]2CCCC(C)(C)O2)c1O ZINC000898050491 620465431 /nfs/dbraw/zinc/46/54/31/620465431.db2.gz WRCXJZBATIGGJV-CQSZACIVSA-N 1 0 293.407 3.228 20 10 CGCDRO Cc1ccc(NCC[NH2+][C@H](C)c2ccc(C)cc2O)nc1 ZINC000927073086 620571181 /nfs/dbraw/zinc/57/11/81/620571181.db2.gz IHKADEYFPROUHA-CQSZACIVSA-N 1 0 285.391 3.167 20 10 CGCDRO Oc1ccccc1C[NH2+]Cc1cccc(Br)c1 ZINC000042418757 620847730 /nfs/dbraw/zinc/84/77/30/620847730.db2.gz LERZJNCJPZAHJI-UHFFFAOYSA-N 1 0 292.176 3.445 20 10 CGCDRO CC[C@@H]([NH2+]CC1([NH3+])CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000902403650 621307558 /nfs/dbraw/zinc/30/75/58/621307558.db2.gz AIXNHKPAQRLUAF-SNVBAGLBSA-N 1 0 289.206 3.231 20 10 CGCDRO C[C@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccc(N2CCCCC2)cc1 ZINC000902467238 621339811 /nfs/dbraw/zinc/33/98/11/621339811.db2.gz NZHITHPHZUYESX-IAAVTCLWSA-N 1 0 299.462 3.220 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2C[C@@H]3CSC[C@]3(C)C2)c1 ZINC000902673846 621394394 /nfs/dbraw/zinc/39/43/94/621394394.db2.gz LBOKRTOKDZPIJX-ZBFHGGJFSA-N 1 0 277.433 3.194 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCCC[C@@H]2O)c(O)c1 ZINC000903263035 621648588 /nfs/dbraw/zinc/64/85/88/621648588.db2.gz INSSCOUNYYGTTH-YCPHGPKFSA-N 1 0 277.408 3.292 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C2CC3(C2)CO[C@H](C)C3)c(O)c1 ZINC000903284647 621651423 /nfs/dbraw/zinc/65/14/23/621651423.db2.gz XKUCIFSRJFZPHP-GXZXJKLZSA-N 1 0 275.392 3.309 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCO[C@H]2C2CC2)cc1 ZINC000903266503 621652560 /nfs/dbraw/zinc/65/25/60/621652560.db2.gz XKHNSWHEBFQURH-XWIAVFTESA-N 1 0 288.435 3.361 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](CO)CCc2ccccc2)c1 ZINC000903293931 621663247 /nfs/dbraw/zinc/66/32/47/621663247.db2.gz ZSESAZJOYINWHY-NVXWUHKLSA-N 1 0 299.414 3.345 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCN(C)[C@H]2C)c1O ZINC000903301921 621668102 /nfs/dbraw/zinc/66/81/02/621668102.db2.gz UTHDOSAKSISIJP-COPLHBTASA-N 1 0 282.815 3.097 20 10 CGCDRO C[C@H]([NH2+]C[C@@](C)(O)c1cccc(F)c1)c1ccccc1O ZINC000903307334 621681064 /nfs/dbraw/zinc/68/10/64/621681064.db2.gz CQCJMQJABHHUIU-YVEFUNNKSA-N 1 0 289.350 3.090 20 10 CGCDRO COC(C)(C)[C@H](C)[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000903331444 621706222 /nfs/dbraw/zinc/70/62/22/621706222.db2.gz NSHKSQUSLUYCIO-SCVCMEIPSA-N 1 0 281.371 3.483 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@H]2CCCC(C)(C)O2)c1O ZINC000903355599 621713282 /nfs/dbraw/zinc/71/32/82/621713282.db2.gz IIRSWVJWXJKKJO-QWHCGFSZSA-N 1 0 293.407 3.399 20 10 CGCDRO C[C@@H]([NH2+]CC[C@H](O)C1CC1)c1ccc2ccccc2c1O ZINC000903407081 621731051 /nfs/dbraw/zinc/73/10/51/621731051.db2.gz MMDVJTVAYHMXMD-PXAZEXFGSA-N 1 0 285.387 3.357 20 10 CGCDRO CC[C@H]([NH2+][C@H]1COC[C@H]1C1CC1)c1ccc(N(C)C)cc1 ZINC000903437222 621746127 /nfs/dbraw/zinc/74/61/27/621746127.db2.gz MNARORUKXCMMAB-BZSNNMDCSA-N 1 0 288.435 3.218 20 10 CGCDRO CC(C)([NH3+])c1ccc(NCc2cccc(F)c2O)cc1 ZINC000904470344 621925141 /nfs/dbraw/zinc/92/51/41/621925141.db2.gz HUFOTXWXFXORTR-UHFFFAOYSA-N 1 0 274.339 3.337 20 10 CGCDRO CCO[C@H]1C[C@@H]([NH2+][C@@H](CC)c2ccc(N(C)C)cc2)C1 ZINC000840763429 625551298 /nfs/dbraw/zinc/55/12/98/625551298.db2.gz HGDFNIABWXOTBL-UAGQMJEPSA-N 1 0 276.424 3.361 20 10 CGCDRO CC1(C)CCC[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000149404910 622301061 /nfs/dbraw/zinc/30/10/61/622301061.db2.gz NKUBZXGDKLDHQE-LBPRGKRZSA-N 1 0 277.364 3.179 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCCS2)c1 ZINC000149707137 622375248 /nfs/dbraw/zinc/37/52/48/622375248.db2.gz JWAFXQIBTSGGEW-VXGBXAGGSA-N 1 0 251.395 3.247 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1CCCS1)c1ccc(N(C)C)cc1 ZINC000149726171 622376621 /nfs/dbraw/zinc/37/66/21/622376621.db2.gz RUCNLGHOYGVYMD-IUODEOHRSA-N 1 0 264.438 3.299 20 10 CGCDRO COc1cccc(C2([NH2+]Cc3cccc(OC)c3O)CC2)c1 ZINC000150891932 622691861 /nfs/dbraw/zinc/69/18/61/622691861.db2.gz LTDHCHGXCSJWGN-UHFFFAOYSA-N 1 0 299.370 3.188 20 10 CGCDRO CC[N@@H+](Cc1cc(Br)ccc1O)CC1CC1 ZINC000156598954 622825857 /nfs/dbraw/zinc/82/58/57/622825857.db2.gz XPEXEAIAVVWQFL-UHFFFAOYSA-N 1 0 284.197 3.387 20 10 CGCDRO CC[C@@H](COC)[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000157518601 622910744 /nfs/dbraw/zinc/91/07/44/622910744.db2.gz PKAALEUSDZGFJW-KRWDZBQOSA-N 1 0 290.451 3.438 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCCCS2)c1 ZINC000157983045 622989572 /nfs/dbraw/zinc/98/95/72/622989572.db2.gz ILZWULVEZDSKLM-YPMHNXCESA-N 1 0 281.421 3.337 20 10 CGCDRO C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000158079290 623003811 /nfs/dbraw/zinc/00/38/11/623003811.db2.gz ZYIMRBRFFCSDCR-CYBMUJFWSA-N 1 0 296.842 3.400 20 10 CGCDRO CC[C@@H](CSC)[NH2+][C@H](C)c1cc(C)ccc1O ZINC000168862329 623018555 /nfs/dbraw/zinc/01/85/55/623018555.db2.gz BYEQAFAAEHRENV-NEPJUHHUSA-N 1 0 253.411 3.493 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](C)C[NH3+])c1cc(Cl)cc(Cl)c1[O-] ZINC000817962274 625623108 /nfs/dbraw/zinc/62/31/08/625623108.db2.gz KGCKXKNVNPNXIU-UFBFGSQYSA-N 1 0 291.222 3.335 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(CO)cc1)c1ccc(N(C)C)cc1 ZINC000229595999 623146768 /nfs/dbraw/zinc/14/67/68/623146768.db2.gz LHOKISNTSWQKPS-CQSZACIVSA-N 1 0 284.403 3.096 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])c1cc(Cl)cc(Cl)c1[O-] ZINC000817978242 625630843 /nfs/dbraw/zinc/63/08/43/625630843.db2.gz YWFXNAUOEOPWMP-RWYTXXIDSA-N 1 0 291.222 3.475 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)[C@@H](C)[NH3+])c1cc(Cl)cc(Cl)c1[O-] ZINC000817978241 625630951 /nfs/dbraw/zinc/63/09/51/625630951.db2.gz YWFXNAUOEOPWMP-LWINAJNOSA-N 1 0 291.222 3.475 20 10 CGCDRO CS[C@H]1CC[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)C1 ZINC000230697876 623263502 /nfs/dbraw/zinc/26/35/02/623263502.db2.gz ADRBAUJCODSIAS-HIFRSBDPSA-N 1 0 264.438 3.126 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]C[C@@H]1Cc2ccccc21 ZINC000083552418 625649249 /nfs/dbraw/zinc/64/92/49/625649249.db2.gz SYAUCCZRFSUMEL-LBPRGKRZSA-N 1 0 273.763 3.475 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCOC1(C)C)c1ccc(N(C)C)cc1 ZINC000834874463 623833365 /nfs/dbraw/zinc/83/33/65/623833365.db2.gz DSECXFKRGVGVGN-HOTGVXAUSA-N 1 0 276.424 3.361 20 10 CGCDRO CCSCC[C@@H](C)[N@H+](C)Cc1cc(F)ccc1O ZINC000180250728 624730365 /nfs/dbraw/zinc/73/03/65/624730365.db2.gz ZZOJLXQVFNHAHZ-LLVKDONJSA-N 1 0 271.401 3.495 20 10 CGCDRO Oc1ccccc1C[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000238103128 624733716 /nfs/dbraw/zinc/73/37/16/624733716.db2.gz PISBZAVOSYRQMJ-CVEARBPZSA-N 1 0 253.345 3.286 20 10 CGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@@H]1CCC[C@H](OC)C1 ZINC000070325092 624996339 /nfs/dbraw/zinc/99/63/39/624996339.db2.gz WZKUFOPHZOJEJZ-SJORKVTESA-N 1 0 276.424 3.319 20 10 CGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccccc1O ZINC000183290329 625059928 /nfs/dbraw/zinc/05/99/28/625059928.db2.gz WPALBCFCJHVRKC-UHFFFAOYSA-N 1 0 284.403 3.480 20 10 CGCDRO C[C@H](C[C@H](O)c1ccco1)[NH2+][C@@H](C)c1ccccc1O ZINC000183587532 625094676 /nfs/dbraw/zinc/09/46/76/625094676.db2.gz NXGGPMJHJZWOSR-XUJVJEKNSA-N 1 0 275.348 3.148 20 10 CGCDRO CCC(CC)(C[NH2+][C@H](C)c1cc(C)ccc1O)C(=O)OC ZINC000183876659 625161220 /nfs/dbraw/zinc/16/12/20/625161220.db2.gz ALBYGJWQHPMPOS-CYBMUJFWSA-N 1 0 293.407 3.331 20 10 CGCDRO CS[C@H]1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000921792662 625876849 /nfs/dbraw/zinc/87/68/49/625876849.db2.gz PGIWWENOQPPKNX-CABCVRRESA-N 1 0 277.433 3.385 20 10 CGCDRO c1cc2c(cc1C[NH2+]CC[C@@H]1CCCCO1)CCCO2 ZINC000921982216 625951669 /nfs/dbraw/zinc/95/16/69/625951669.db2.gz DLLKJTGOVXKLLD-INIZCTEOSA-N 1 0 275.392 3.060 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1)c1ccccc1O ZINC000922328879 625998171 /nfs/dbraw/zinc/99/81/71/625998171.db2.gz HNEBZPGFDQGCJZ-LXTVHRRPSA-N 1 0 275.392 3.248 20 10 CGCDRO CCO[C@H]1CCC[C@H]([NH2+][C@@H](C)c2ccccc2O)C1 ZINC000922329655 625998725 /nfs/dbraw/zinc/99/87/25/625998725.db2.gz PBOLQKYRYIWWDM-IHRRRGAJSA-N 1 0 263.381 3.391 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](C2CC2)[C@H]2CCCOC2)cc1C ZINC000922891331 626070934 /nfs/dbraw/zinc/07/09/34/626070934.db2.gz HWRNIFAYMLRWDG-WMZOPIPTSA-N 1 0 289.419 3.298 20 10 CGCDRO CC[C@H]([NH2+][C@H](COC)C(C)C)c1ccccc1O ZINC000086697352 626085190 /nfs/dbraw/zinc/08/51/90/626085190.db2.gz NTYXBEAOQDTKJW-UONOGXRCSA-N 1 0 251.370 3.104 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@H+](C)CCc2nccs2)c1 ZINC000164605906 626087328 /nfs/dbraw/zinc/08/73/28/626087328.db2.gz AHEGENBVWRJRCA-UHFFFAOYSA-N 1 0 276.405 3.140 20 10 CGCDRO COc1cccc(C[NH2+]C[C@@H]2CC(C)(C)OC2(C)C)c1O ZINC000922952315 626104351 /nfs/dbraw/zinc/10/43/51/626104351.db2.gz WDIZXHUHFWEILR-ZDUSSCGKSA-N 1 0 293.407 3.084 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2c3ccccc3CC[C@H]2O)cc1C ZINC000922987767 626115977 /nfs/dbraw/zinc/11/59/77/626115977.db2.gz IVZXYBZAHQGIFT-MJGOQNOKSA-N 1 0 297.398 3.142 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H](c1cccs1)N(C)C)c1ccccc1O ZINC000020147608 634491439 /nfs/dbraw/zinc/49/14/39/634491439.db2.gz WWQDQRNFJIQONG-OCCSQVGLSA-N 1 0 290.432 3.407 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H](C)CCc2ccco2)c1 ZINC000020145246 634491704 /nfs/dbraw/zinc/49/17/04/634491704.db2.gz FRQBFLXQVJMLOB-LBPRGKRZSA-N 1 0 275.348 3.105 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc2c(n1)CCC2)c1ccc(N(C)C)cc1 ZINC000839016080 626298369 /nfs/dbraw/zinc/29/83/69/626298369.db2.gz WNTWJYGYFWUFNJ-AWEZNQCLSA-N 1 0 295.430 3.487 20 10 CGCDRO COC1CCC([NH2+]C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000839167304 626324568 /nfs/dbraw/zinc/32/45/68/626324568.db2.gz DZJDHSGSXRDOFQ-PLNGDYQASA-N 1 0 288.435 3.313 20 10 CGCDRO CC(C)[N@H+](CCC1(O)CCC1)Cc1ccc(N(C)C)cc1 ZINC000839468280 626354434 /nfs/dbraw/zinc/35/44/34/626354434.db2.gz VINUKNCTNAONEQ-UHFFFAOYSA-N 1 0 290.451 3.268 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+][C@]2(C)CCO[C@@H]2C)c1O ZINC000753577177 626456524 /nfs/dbraw/zinc/45/65/24/626456524.db2.gz RVEFYSSVYKHVRV-QMTHXVAHSA-N 1 0 269.772 3.011 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CC[C@H](O)CC2)cc1F ZINC000753850936 626467698 /nfs/dbraw/zinc/46/76/98/626467698.db2.gz QEDLPKSXWUMIMO-SHTZXODSSA-N 1 0 294.414 3.065 20 10 CGCDRO CCC1CCC([N@H+](CCO)Cc2cc(C)ccc2O)CC1 ZINC000754153422 626561257 /nfs/dbraw/zinc/56/12/57/626561257.db2.gz HWBKUSINTRKIEY-UHFFFAOYSA-N 1 0 291.435 3.464 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCOc3ccccc3C2)c1 ZINC000754727666 626584920 /nfs/dbraw/zinc/58/49/20/626584920.db2.gz MOOGUNBXYSPPON-UHFFFAOYSA-N 1 0 283.371 3.404 20 10 CGCDRO Cc1cnccc1CC[NH2+]Cc1c(O)cccc1Cl ZINC000754842306 626590032 /nfs/dbraw/zinc/59/00/32/626590032.db2.gz LWRBLNSKNWLXPY-UHFFFAOYSA-N 1 0 276.767 3.081 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)[C@H](C)CCOC)cc1 ZINC000755893419 626656843 /nfs/dbraw/zinc/65/68/43/626656843.db2.gz SNTXVHXVRPSUDC-OAHLLOKOSA-N 1 0 278.440 3.390 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(OC)c(C)c1)[C@H]1CCCO1 ZINC000756044802 626672077 /nfs/dbraw/zinc/67/20/77/626672077.db2.gz IOTMAWDPLBRJAR-GOEBONIOSA-N 1 0 263.381 3.051 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CCS[C@H](C)CC2)c(O)c1 ZINC000756145505 626681302 /nfs/dbraw/zinc/68/13/02/626681302.db2.gz AAXYOEAPUFBEMS-GFCCVEGCSA-N 1 0 281.421 3.118 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]CCc2ccccn2)c2c1c(F)ccc2O ZINC000756339668 626693507 /nfs/dbraw/zinc/69/35/07/626693507.db2.gz BZIVFUFGGPVXGA-BXUZGUMPSA-N 1 0 286.350 3.307 20 10 CGCDRO CCN(CC)CC[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756354600 626695123 /nfs/dbraw/zinc/69/51/23/626695123.db2.gz FXBNLIRBUUKYMN-WCQYABFASA-N 1 0 280.387 3.011 20 10 CGCDRO Cc1cc(C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)on1 ZINC000756542507 626714140 /nfs/dbraw/zinc/71/41/40/626714140.db2.gz AUIWMTDIRDMHQG-PRHODGIISA-N 1 0 276.311 3.166 20 10 CGCDRO CC[C@H](C[C@H](C)CO)[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756624124 626721240 /nfs/dbraw/zinc/72/12/40/626721240.db2.gz DJOXGCCESFNWMP-FMSGJZPZSA-N 1 0 295.398 3.466 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)Cc2ccncc2)c1 ZINC000756634137 626722217 /nfs/dbraw/zinc/72/22/17/626722217.db2.gz LWGQUWQSOXQYDT-QWHCGFSZSA-N 1 0 286.375 3.078 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H](C)Cc2ccncc2)c(O)c1 ZINC000756636954 626722868 /nfs/dbraw/zinc/72/28/68/626722868.db2.gz YCVPVIGXZVQHTB-KGLIPLIRSA-N 1 0 270.376 3.377 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C[C@H]2CCOC2)c(O)c1C ZINC000756644712 626723956 /nfs/dbraw/zinc/72/39/56/626723956.db2.gz BIIJMNIVHJMKCX-VHDGCEQUSA-N 1 0 277.408 3.475 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](CO)CC2)c2c1c(F)ccc2O ZINC000756644466 626723977 /nfs/dbraw/zinc/72/39/77/626723977.db2.gz ARQYGEGDEDQFPL-NRWUCQMLSA-N 1 0 293.382 3.220 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(C)oc2C)c1 ZINC000756710414 626726991 /nfs/dbraw/zinc/72/69/91/626726991.db2.gz VLJBENFQLBHXFD-NSHDSACASA-N 1 0 275.348 3.461 20 10 CGCDRO CC[C@@H](O)CCC[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000756736685 626728844 /nfs/dbraw/zinc/72/88/44/626728844.db2.gz CGBBGLYUYDFPCG-ZYHUDNBSSA-N 1 0 271.788 3.247 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)COC2)c1cc(F)ccc1O ZINC000756761930 626729838 /nfs/dbraw/zinc/72/98/38/626729838.db2.gz VUQWBEDWBHQQSH-LLVKDONJSA-N 1 0 287.334 3.412 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+][C@@H](CO)CC(C)(C)C)c2c1c(F)ccc2O ZINC000756763312 626729967 /nfs/dbraw/zinc/72/99/67/626729967.db2.gz ZCMBSLYRPLQYOU-WZRBSPASSA-N 1 0 295.398 3.466 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCO[C@H](C)C1)c1cc(Cl)ccc1O ZINC000756781392 626731946 /nfs/dbraw/zinc/73/19/46/626731946.db2.gz CPTDDNCISBZLIP-SCVCMEIPSA-N 1 0 269.772 3.264 20 10 CGCDRO C[C@H]1C[C@@H]([NH2+][C@@H]2CCO[C@H](C)C2)c2c1c(F)ccc2O ZINC000756781570 626731958 /nfs/dbraw/zinc/73/19/58/626731958.db2.gz GWZDNWISASIUMI-SBFPOUOMSA-N 1 0 279.355 3.237 20 10 CGCDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@H](C)c2cc(C)ccc2O)C1(C)C ZINC000756788123 626732322 /nfs/dbraw/zinc/73/23/22/626732322.db2.gz BDPQSCFNNXKKEP-CZPYZCIJSA-N 1 0 277.408 3.411 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCOC(C)(C)C)c(O)c1C ZINC000756817638 626734696 /nfs/dbraw/zinc/73/46/96/626734696.db2.gz LREDDKBOBPZZBI-ZDUSSCGKSA-N 1 0 265.397 3.475 20 10 CGCDRO COCC1([NH2+][C@H](C)c2cc3c(cc2O)CCCC3)CC1 ZINC000756849467 626737202 /nfs/dbraw/zinc/73/72/02/626737202.db2.gz BDZIWDRIUBZUBW-GFCCVEGCSA-N 1 0 275.392 3.101 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H](O)C[C@H]2c2ccccc2)cc1 ZINC000839634642 626769038 /nfs/dbraw/zinc/76/90/38/626769038.db2.gz DYRIBXGMUKXECD-OALUTQOASA-N 1 0 296.414 3.061 20 10 CGCDRO COC1(C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)CCC1 ZINC000757636927 626796343 /nfs/dbraw/zinc/79/63/43/626796343.db2.gz KYIIOVFACBAUEP-PWSUYJOCSA-N 1 0 279.355 3.238 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CC[C@H]2CCOC2)c(O)c1C ZINC000757659396 626798115 /nfs/dbraw/zinc/79/81/15/626798115.db2.gz ZJZJFJOFUQIPQF-KBPBESRZSA-N 1 0 263.381 3.086 20 10 CGCDRO Cc1ccc(C(C)(C)[NH2+]Cc2ccccc2O)cn1 ZINC000759183907 626878546 /nfs/dbraw/zinc/87/85/46/626878546.db2.gz CZGCLORTNRORHH-UHFFFAOYSA-N 1 0 256.349 3.121 20 10 CGCDRO C[C@H]([NH2+][C@H](CO)CC(F)F)c1ccc2ccccc2c1O ZINC000760038003 626937258 /nfs/dbraw/zinc/93/72/58/626937258.db2.gz LVRLKPVOQIKYAL-JQWIXIFHSA-N 1 0 295.329 3.212 20 10 CGCDRO CCOCc1cc(C[NH2+]C2(C3CC3)CC2)ccc1OC ZINC000760711181 626986872 /nfs/dbraw/zinc/98/68/72/626986872.db2.gz NNAUKMMZOXIYCL-UHFFFAOYSA-N 1 0 275.392 3.264 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCOC[C@H]2C)c2c1c(F)ccc2O ZINC000762647154 627119031 /nfs/dbraw/zinc/11/90/31/627119031.db2.gz DQBVOJZVYAWZLR-WFFHOREQSA-N 1 0 279.355 3.094 20 10 CGCDRO CCC[C@H](C)[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000764435185 627207488 /nfs/dbraw/zinc/20/74/88/627207488.db2.gz KIELEJYNOQVBCW-AWEZNQCLSA-N 1 0 276.424 3.442 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCN2CCCCC2)cc1 ZINC000764810152 627225960 /nfs/dbraw/zinc/22/59/60/627225960.db2.gz NRVOLZIVCPNOSH-MRXNPFEDSA-N 1 0 289.467 3.279 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H]2CCCCO2)cc1 ZINC000765341960 627246722 /nfs/dbraw/zinc/24/67/22/627246722.db2.gz AQAAOXCAUVHLRH-WMLDXEAASA-N 1 0 276.424 3.362 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H](O)CC(C)C)c1ccc(N(C)C)cc1 ZINC000765473144 627251490 /nfs/dbraw/zinc/25/14/90/627251490.db2.gz DCWSSVJTAMQZOY-IAGOWNOFSA-N 1 0 278.440 3.200 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]CCOCC2CCC2)c2c1c(F)ccc2O ZINC000765805896 627272401 /nfs/dbraw/zinc/27/24/01/627272401.db2.gz ALEFERYAAVSPKX-BXUZGUMPSA-N 1 0 293.382 3.486 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCCC1CCOCC1 ZINC000765928510 627278812 /nfs/dbraw/zinc/27/88/12/627278812.db2.gz WWXCLYXDCPGALY-UHFFFAOYSA-N 1 0 290.451 3.357 20 10 CGCDRO COc1cccc(O)c1C[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000767927807 627444001 /nfs/dbraw/zinc/44/40/01/627444001.db2.gz CVEPXRCKLYWCEH-SNVBAGLBSA-N 1 0 271.307 3.068 20 10 CGCDRO COc1cccc(O)c1C[N@H+](C)Cc1cccc(F)c1 ZINC000768159376 627464053 /nfs/dbraw/zinc/46/40/53/627464053.db2.gz CRIJSXFHTHABBM-UHFFFAOYSA-N 1 0 275.323 3.172 20 10 CGCDRO CC[C@H]1C[N@H+](Cc2cc3c(cc2O)CCCC3)C[C@H](C)O1 ZINC000768448627 627480665 /nfs/dbraw/zinc/48/06/65/627480665.db2.gz UFSSLPWJVFWLSH-GUYCJALGSA-N 1 0 289.419 3.270 20 10 CGCDRO COc1cc(C[N@@H+]2CC[C@H](C(C)C)C2)c(O)cc1C ZINC000768465190 627481323 /nfs/dbraw/zinc/48/13/23/627481323.db2.gz YJLKHDDCTQWQHW-ZDUSSCGKSA-N 1 0 263.381 3.187 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2Cc3ccccc3[C@H]2C)cc1OC ZINC000768465299 627481334 /nfs/dbraw/zinc/48/13/34/627481334.db2.gz GDSUWYHLKPFALK-GFCCVEGCSA-N 1 0 299.370 3.486 20 10 CGCDRO Cc1cc([C@H]2CCC[N@@H+]2Cc2cc(C)ccc2O)on1 ZINC000768877000 627505417 /nfs/dbraw/zinc/50/54/17/627505417.db2.gz FTXMHHHMALGXOZ-CQSZACIVSA-N 1 0 272.348 3.334 20 10 CGCDRO Cc1cc(O)c(C[N@@H+](Cc2ccccc2)C[C@H](C)O)cc1C ZINC000768893869 627507014 /nfs/dbraw/zinc/50/70/14/627507014.db2.gz UBJWDFGIUHMVHY-INIZCTEOSA-N 1 0 299.414 3.392 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000769425019 627551097 /nfs/dbraw/zinc/55/10/97/627551097.db2.gz BOGFHRIZYFQSBE-INIZCTEOSA-N 1 0 298.386 3.441 20 10 CGCDRO CCOc1ccc(C[NH+]2C[C@H]3CCCC[C@@H]3C2)c(O)c1 ZINC000769427093 627551154 /nfs/dbraw/zinc/55/11/54/627551154.db2.gz ZCKNUOFEEFAJEE-ZIAGYGMSSA-N 1 0 275.392 3.413 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](CO)c2ccsc2)c(O)c1 ZINC000769985575 627595049 /nfs/dbraw/zinc/59/50/49/627595049.db2.gz MUEDCZGCEANEDM-RISCZKNCSA-N 1 0 277.389 3.146 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)cc1 ZINC000770371570 627615771 /nfs/dbraw/zinc/61/57/71/627615771.db2.gz AUSIVVABFPUVCE-IRXDYDNUSA-N 1 0 288.435 3.001 20 10 CGCDRO CCOc1cccc(C[NH2+][C@H](C)c2cnccc2C)c1O ZINC000770748423 627641893 /nfs/dbraw/zinc/64/18/93/627641893.db2.gz DSUJSTPUMRWPCU-CYBMUJFWSA-N 1 0 286.375 3.345 20 10 CGCDRO CCOc1ccc(C[NH2+][C@@H]2CCO[C@H](C(C)C)C2)c(O)c1 ZINC000771891081 627742255 /nfs/dbraw/zinc/74/22/55/627742255.db2.gz XXHKTIGZEDUULI-PBHICJAKSA-N 1 0 293.407 3.084 20 10 CGCDRO CCc1cnccc1[C@H](C)[NH2+]Cc1cccc(OC)c1O ZINC000773428086 627883490 /nfs/dbraw/zinc/88/34/90/627883490.db2.gz NUZZODUXOUPJKU-LBPRGKRZSA-N 1 0 286.375 3.209 20 10 CGCDRO CCO[C@@H]1CCC[N@H+](Cc2ccc(N(C)CC)cc2)C1 ZINC000773754282 627911202 /nfs/dbraw/zinc/91/12/02/627911202.db2.gz QJGGSZPJOFZTOX-QGZVFWFLSA-N 1 0 276.424 3.144 20 10 CGCDRO CCN(C)c1ccc(C[N@H+](C)[C@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000773756981 627911330 /nfs/dbraw/zinc/91/13/30/627911330.db2.gz XYFBWJHFDJQQLW-YJBOKZPZSA-N 1 0 289.467 3.057 20 10 CGCDRO CC[C@@H]1C[N@H+](Cc2ccc(N(C)CC)cc2)C[C@H](C)O1 ZINC000773757867 627912547 /nfs/dbraw/zinc/91/25/47/627912547.db2.gz QSYASQZRSBJPHZ-WMLDXEAASA-N 1 0 276.424 3.142 20 10 CGCDRO CCN(C)c1ccc(CN2CCC([NH2+]C(C)C)CC2)cc1 ZINC000773771842 627913813 /nfs/dbraw/zinc/91/38/13/627913813.db2.gz IPGWLQAAKVTPLG-UHFFFAOYSA-N 1 0 289.467 3.105 20 10 CGCDRO CCN(C)c1ccc(C[NH+]2CCC(c3c[nH]cn3)CC2)cc1 ZINC000773774850 627914808 /nfs/dbraw/zinc/91/48/08/627914808.db2.gz FZIASAGWFDXSAE-UHFFFAOYSA-N 1 0 298.434 3.245 20 10 CGCDRO CCN(C)c1ccc(C[NH+]2CCC(CC)(CO)CC2)cc1 ZINC000773815911 627917145 /nfs/dbraw/zinc/91/71/45/627917145.db2.gz LCMYOZVDKWWVMD-UHFFFAOYSA-N 1 0 290.451 3.127 20 10 CGCDRO CC[C@H]([NH2+]CCN1CCCC1)c1cc(Cl)ccc1O ZINC000775485589 628099734 /nfs/dbraw/zinc/09/97/34/628099734.db2.gz XJFTVUUJDAODKS-AWEZNQCLSA-N 1 0 282.815 3.182 20 10 CGCDRO CC[C@@H]([NH2+]CCN1Cc2ccccc2C1)c1ccccc1O ZINC000775495947 628101246 /nfs/dbraw/zinc/10/12/46/628101246.db2.gz CEUQHEPSDGPXTC-GOSISDBHSA-N 1 0 296.414 3.449 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H](C)N(C)C)c1cc(Cl)ccc1O ZINC000775499356 628101322 /nfs/dbraw/zinc/10/13/22/628101322.db2.gz RDYFMMBAQQAZCG-GXFFZTMASA-N 1 0 270.804 3.036 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1cc(Cl)ccc1O ZINC000775512800 628102932 /nfs/dbraw/zinc/10/29/32/628102932.db2.gz BTODERVGIWTNLS-SUHUHFCYSA-N 1 0 281.783 3.023 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)C[C@@H](C)O)c1cc(Cl)ccc1O ZINC000775552217 628105660 /nfs/dbraw/zinc/10/56/60/628105660.db2.gz SZNCUTKSGAMUNJ-BREBYQMCSA-N 1 0 271.788 3.246 20 10 CGCDRO CC[C@@H]([NH2+]CCC(C)(C)O)c1cc(Cl)ccc1O ZINC000775586597 628111412 /nfs/dbraw/zinc/11/14/12/628111412.db2.gz TTZYZUTWEKCNES-GFCCVEGCSA-N 1 0 271.788 3.247 20 10 CGCDRO C[C@@H]([NH2+]C[Si](C)(C)C)c1ccc(N(C)C)cc1 ZINC000775832766 628140388 /nfs/dbraw/zinc/14/03/88/628140388.db2.gz BNDRPLCARKWPIJ-GFCCVEGCSA-N 1 0 250.462 3.281 20 10 CGCDRO COc1cccc(O)c1C[NH2+]CC(C)(C)c1ccccc1 ZINC000775977023 628155105 /nfs/dbraw/zinc/15/51/05/628155105.db2.gz PKZVHIZAPAXTSM-UHFFFAOYSA-N 1 0 285.387 3.468 20 10 CGCDRO C[C@@H](C[NH2+]Cc1c(O)cccc1Cl)N1CCCC[C@H]1C ZINC000775986814 628155492 /nfs/dbraw/zinc/15/54/92/628155492.db2.gz JIROCWBKXFMSLV-OLZOCXBDSA-N 1 0 296.842 3.398 20 10 CGCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2c(O)cccc2Cl)C12CCC2 ZINC000776176994 628176741 /nfs/dbraw/zinc/17/67/41/628176741.db2.gz HPSHZVGMPQOVRC-LSDHHAIUSA-N 1 0 295.810 3.483 20 10 CGCDRO COc1cc(O)c(C[NH2+][C@H]2CC3CCC2CC3)cc1OC ZINC000776249267 628184753 /nfs/dbraw/zinc/18/47/53/628184753.db2.gz UBADBZVSRCUTMV-YIZWMMSDSA-N 1 0 291.391 3.078 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)C(C)(C)O)c1ccc(N2CCCCC2)cc1 ZINC000776903373 628239443 /nfs/dbraw/zinc/23/94/43/628239443.db2.gz XPWVNSINXYSIHV-CABCVRRESA-N 1 0 290.451 3.487 20 10 CGCDRO CCOC[C@H](C)[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000779072168 628386569 /nfs/dbraw/zinc/38/65/69/628386569.db2.gz JGUASOCVBDRQMS-NHCYSSNCSA-N 1 0 267.344 3.094 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2CCO)c2c1c(F)ccc2O ZINC000779088340 628388390 /nfs/dbraw/zinc/38/83/90/628388390.db2.gz MSAMHKNJIATQPW-XWUBHJNHSA-N 1 0 293.382 3.220 20 10 CGCDRO CCOc1cccc(C[NH+]2CCC(C)(COC)CC2)c1O ZINC000779606098 628417670 /nfs/dbraw/zinc/41/76/70/628417670.db2.gz KHJCAMIXHFXFMF-UHFFFAOYSA-N 1 0 293.407 3.039 20 10 CGCDRO C[C@@H]([NH2+]CCCSc1nccs1)[C@@H]1CCCOC1 ZINC000780725845 628510875 /nfs/dbraw/zinc/51/08/75/628510875.db2.gz UFTWALZKTDOZGG-VXGBXAGGSA-N 1 0 286.466 3.030 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+]2CCCSCC2)c1O ZINC000780894150 628523041 /nfs/dbraw/zinc/52/30/41/628523041.db2.gz ZBUMVBBNQGACLJ-UHFFFAOYSA-N 1 0 271.813 3.293 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000781533227 628568895 /nfs/dbraw/zinc/56/88/95/628568895.db2.gz ZUUYOLKKGTUHTM-NSHDSACASA-N 1 0 291.725 3.249 20 10 CGCDRO Oc1cccc(Cl)c1C[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000781532386 628568985 /nfs/dbraw/zinc/56/89/85/628568985.db2.gz PIWOANJPUIKDEB-VIFPVBQESA-N 1 0 291.725 3.249 20 10 CGCDRO COc1cccc(C[N@@H+]2CC[C@]3(CC[C@H](C)C3)C2)c1O ZINC000781931618 628606433 /nfs/dbraw/zinc/60/64/33/628606433.db2.gz ZMLFEDLPTNEVFS-GUYCJALGSA-N 1 0 275.392 3.413 20 10 CGCDRO COc1cccc(C[NH2+][C@H](CC(F)(F)F)C(C)C)c1O ZINC000782543821 628653950 /nfs/dbraw/zinc/65/39/50/628653950.db2.gz QHZMMYNTIIYLNJ-LLVKDONJSA-N 1 0 291.313 3.467 20 10 CGCDRO CS[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)C(C)(C)C ZINC000784626354 628825825 /nfs/dbraw/zinc/82/58/25/628825825.db2.gz QXUYLYYUBXEFJL-OAHLLOKOSA-N 1 0 279.449 3.489 20 10 CGCDRO CC[C@H]1CCC[C@@H]1[NH2+]Cc1cc(F)cc(C(C)=O)c1O ZINC000787994264 629038552 /nfs/dbraw/zinc/03/85/52/629038552.db2.gz FGXYBHIYTFDXJI-NHYWBVRUSA-N 1 0 279.355 3.402 20 10 CGCDRO CSC1(C[N@H+](C)Cc2ccc(N(C)C)cc2)CCC1 ZINC000788840552 629085598 /nfs/dbraw/zinc/08/55/98/629085598.db2.gz NSCRGZTXTRFQEJ-UHFFFAOYSA-N 1 0 278.465 3.470 20 10 CGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H]1[C@@H]1CCCO1)CCC2 ZINC000789510665 629141668 /nfs/dbraw/zinc/14/16/68/629141668.db2.gz BVZHEBBTPLWQNC-WMZOPIPTSA-N 1 0 287.403 3.024 20 10 CGCDRO CC(C)(C)[C@@H]1C[N@H+](Cc2cc3c(cc2O)CCC3)CCO1 ZINC000790411509 629209596 /nfs/dbraw/zinc/20/95/96/629209596.db2.gz FKVMIUOMYYZQEO-KRWDZBQOSA-N 1 0 289.419 3.128 20 10 CGCDRO CCn1ccc(C[N@H+](C)Cc2cc3c(cc2O)CCC3)c1 ZINC000790452843 629211399 /nfs/dbraw/zinc/21/13/99/629211399.db2.gz YRBVCKRESDIEDD-UHFFFAOYSA-N 1 0 284.403 3.334 20 10 CGCDRO COc1ccc(C[NH2+]C[C@H]2N(C)CCCC2(C)C)cc1C ZINC000790486695 629213065 /nfs/dbraw/zinc/21/30/65/629213065.db2.gz YXUNIWFDNLJNEE-QGZVFWFLSA-N 1 0 290.451 3.214 20 10 CGCDRO CC[N@@H+](Cc1cc(F)c(N(C)C)cc1F)C[C@H]1CCCO1 ZINC000862231211 629327640 /nfs/dbraw/zinc/32/76/40/629327640.db2.gz FWSJHSLBEVZDBK-CYBMUJFWSA-N 1 0 298.377 3.032 20 10 CGCDRO CO[C@]1(C)CCC[N@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862351411 629346822 /nfs/dbraw/zinc/34/68/22/629346822.db2.gz OXJKCNDPGARYRN-MRXNPFEDSA-N 1 0 298.377 3.032 20 10 CGCDRO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)CC1(F)CC1 ZINC000792788955 629382089 /nfs/dbraw/zinc/38/20/89/629382089.db2.gz HAADPYDZDACCGO-UHFFFAOYSA-N 1 0 264.388 3.465 20 10 CGCDRO CO[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N(C)C)cc2C)C1 ZINC000792976945 629398712 /nfs/dbraw/zinc/39/87/12/629398712.db2.gz GWRRXBHPGKJHDP-DOTOQJQBSA-N 1 0 276.424 3.108 20 10 CGCDRO CC(C)[C@H]1CCCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000118964275 629408927 /nfs/dbraw/zinc/40/89/27/629408927.db2.gz WKZDMIYSQNAEOI-CYBMUJFWSA-N 1 0 277.364 3.131 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000793230690 629433570 /nfs/dbraw/zinc/43/35/70/629433570.db2.gz IAVXKYYEJZDNMP-ONGXEEELSA-N 1 0 289.297 3.174 20 10 CGCDRO CCCC[C@@H](CC)[NH2+]Cc1ccc(OC)cc1O ZINC000793388089 629452594 /nfs/dbraw/zinc/45/25/94/629452594.db2.gz LQCSVIMKWAYIKQ-CYBMUJFWSA-N 1 0 251.370 3.459 20 10 CGCDRO CCc1cccc(F)c1C[NH2+]Cc1ccc(OC)cc1O ZINC000793386450 629452945 /nfs/dbraw/zinc/45/29/45/629452945.db2.gz QVBOQFTURZXNGZ-UHFFFAOYSA-N 1 0 289.350 3.392 20 10 CGCDRO Cc1cc(C[N@@H+](C)CC2(C)COC2)c(O)c(C(C)(C)C)c1 ZINC000863299339 629527144 /nfs/dbraw/zinc/52/71/44/629527144.db2.gz IBJADPQRTYYCDO-UHFFFAOYSA-N 1 0 291.435 3.466 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](O)c1ccco1)c1ccc(C)cc1O ZINC000794796963 629577854 /nfs/dbraw/zinc/57/78/54/629577854.db2.gz YTMVIXPYTXTRPJ-DZGCQCFKSA-N 1 0 275.348 3.068 20 10 CGCDRO CC[C@@H]([NH2+][C@H]1CCN(CC2CC2)C1)c1ccc(C)cc1O ZINC000794803635 629579115 /nfs/dbraw/zinc/57/91/15/629579115.db2.gz CDXPYMJHYGXSFJ-DOTOQJQBSA-N 1 0 288.435 3.226 20 10 CGCDRO CC[C@H]([NH2+]C[C@H](OC)C(F)(F)F)c1ccc(C)cc1O ZINC000794815424 629581467 /nfs/dbraw/zinc/58/14/67/629581467.db2.gz UVOSFFBJCDHPTJ-AAEUAGOBSA-N 1 0 291.313 3.319 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]Cc2cccnc2F)c(O)c1C ZINC000794837105 629585883 /nfs/dbraw/zinc/58/58/83/629585883.db2.gz UNEMRHVRJCGTES-LBPRGKRZSA-N 1 0 274.339 3.394 20 10 CGCDRO CCCC(O)(CCC)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000119714371 629694827 /nfs/dbraw/zinc/69/48/27/629694827.db2.gz HEWHYICTUDMGPC-UHFFFAOYSA-N 1 0 277.408 3.042 20 10 CGCDRO CCOCc1cc(C[NH2+][C@@H]2CSC[C@H]2C)ccc1OC ZINC000796484877 629789312 /nfs/dbraw/zinc/78/93/12/629789312.db2.gz WAKUIMCOOZMEFB-IUODEOHRSA-N 1 0 295.448 3.073 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]CC1(C(F)(F)F)CC1 ZINC000796489183 629789538 /nfs/dbraw/zinc/78/95/38/629789538.db2.gz JZMOLUNDIDQVJC-UHFFFAOYSA-N 1 0 279.689 3.478 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+][C@H]2CSC[C@@H]2C)c2c1c(F)ccc2O ZINC000797063612 629880584 /nfs/dbraw/zinc/88/05/84/629880584.db2.gz CDWWYSXBSPKHES-QCZKYFFMSA-N 1 0 281.396 3.421 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+][C@H]2CSC[C@H]2C)c2c1c(F)ccc2O ZINC000797063607 629880825 /nfs/dbraw/zinc/88/08/25/629880825.db2.gz CDWWYSXBSPKHES-LSKIRQOJSA-N 1 0 281.396 3.421 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCOC[C@H]2C)c2c1c(F)ccc2O ZINC000797077084 629881913 /nfs/dbraw/zinc/88/19/13/629881913.db2.gz CDTPTRBFBGTIHD-NMKXLXIOSA-N 1 0 293.382 3.342 20 10 CGCDRO Oc1ccc(Br)cc1C[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000797905010 630000108 /nfs/dbraw/zinc/00/01/08/630000108.db2.gz TYJUDJFOLVPEOK-CHWSQXEVSA-N 1 0 296.208 3.433 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CC[C@@H]2C2CC2)c1 ZINC000798004962 630014513 /nfs/dbraw/zinc/01/45/13/630014513.db2.gz QNLIZEHOLOKUIW-ZBINZKHDSA-N 1 0 261.365 3.240 20 10 CGCDRO C[C@H]([NH2+]C[C@H](CO)CC1CCCC1)c1ccccc1O ZINC000798937466 630127698 /nfs/dbraw/zinc/12/76/98/630127698.db2.gz MPHFJZYFTSSDPB-DZGCQCFKSA-N 1 0 277.408 3.232 20 10 CGCDRO COc1cncc(C[NH2+]Cc2ccc(N(C)C)cc2C)c1C ZINC000865465750 630135162 /nfs/dbraw/zinc/13/51/62/630135162.db2.gz IVZRORODSWCNSP-UHFFFAOYSA-N 1 0 299.418 3.063 20 10 CGCDRO CO[C@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])[C@H](C)C1 ZINC000799738425 630229172 /nfs/dbraw/zinc/22/91/72/630229172.db2.gz YRACCIYSSKEGKT-SKDRFNHKSA-N 1 0 287.762 3.184 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCCN(C)C2)c1O ZINC000808679238 630294230 /nfs/dbraw/zinc/29/42/30/630294230.db2.gz IEUDJTQQHIZPKS-WCQYABFASA-N 1 0 282.815 3.099 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@H]2CC[C@@H]2C2CCC2)c1 ZINC000800975045 630316134 /nfs/dbraw/zinc/31/61/34/630316134.db2.gz VRXOVMUMRNZRET-CABCVRRESA-N 1 0 261.365 3.069 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]Cc2cccc(F)c2F)c1 ZINC000865677358 630347519 /nfs/dbraw/zinc/34/75/19/630347519.db2.gz WWJZOUSXLXGNAD-UHFFFAOYSA-N 1 0 293.313 3.359 20 10 CGCDRO CC[C@H]1CC[C@H]1[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000806136265 630546832 /nfs/dbraw/zinc/54/68/32/630546832.db2.gz AHNAWBGXWQZYSU-KBXCAEBGSA-N 1 0 288.435 3.442 20 10 CGCDRO CC[C@H]1CC[C@@H]1[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000806136267 630546953 /nfs/dbraw/zinc/54/69/53/630546953.db2.gz AHNAWBGXWQZYSU-KSSFIOAISA-N 1 0 288.435 3.442 20 10 CGCDRO CS[C@@H]1CC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000840114809 630598468 /nfs/dbraw/zinc/59/84/68/630598468.db2.gz JRFKWIGKDXLYPH-CYBMUJFWSA-N 1 0 295.448 3.333 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)c1O ZINC000840118193 630599952 /nfs/dbraw/zinc/59/99/52/630599952.db2.gz YGEDPXRZSWOLQJ-DEWZPKMOSA-N 1 0 299.414 3.353 20 10 CGCDRO CCN1CCC[C@H]1C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808672263 630662227 /nfs/dbraw/zinc/66/22/27/630662227.db2.gz HWXFRPCSJWGESL-JSGCOSHPSA-N 1 0 296.842 3.489 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](O)CC(C)C)c1O ZINC000808687893 630664618 /nfs/dbraw/zinc/66/46/18/630664618.db2.gz VSXKIJKHASAEEI-YPMHNXCESA-N 1 0 285.815 3.412 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)[C@H]2CCOC2)c1O ZINC000808699742 630666319 /nfs/dbraw/zinc/66/63/19/630666319.db2.gz PBJCFORVGKXYMZ-WOPDTQHZSA-N 1 0 283.799 3.430 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCOC[C@H]2C)c1O ZINC000808716402 630670725 /nfs/dbraw/zinc/67/07/25/630670725.db2.gz NGLSXBFHBIOKMA-UHIISALHSA-N 1 0 283.799 3.430 20 10 CGCDRO CCCCN(C)C[C@H](C)[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000808732062 630672942 /nfs/dbraw/zinc/67/29/42/630672942.db2.gz HDOJFQIRHFMWJP-GJZGRUSLSA-N 1 0 278.440 3.472 20 10 CGCDRO C[C@@H](CO)[N@@H+](Cc1cc(Cl)ccc1O)CC1CCC1 ZINC000809665640 630778385 /nfs/dbraw/zinc/77/83/85/630778385.db2.gz YBCIIIOEQHLDQH-NSHDSACASA-N 1 0 283.799 3.029 20 10 CGCDRO CC[N@H+](Cc1cc2c(cc1O)OCO2)C1CC(C)(C)C1 ZINC000840185306 630811428 /nfs/dbraw/zinc/81/14/28/630811428.db2.gz YGRDQRWMRGVXNQ-UHFFFAOYSA-N 1 0 277.364 3.131 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2COc3c(C)cccc3C2)cc1C ZINC000810178766 630851118 /nfs/dbraw/zinc/85/11/18/630851118.db2.gz VSNFAXWESGNICC-KRWDZBQOSA-N 1 0 297.398 3.405 20 10 CGCDRO CC(C)N(C)C[C@H](C)[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000810244128 630857787 /nfs/dbraw/zinc/85/77/87/630857787.db2.gz AFQIQOPFFVJMHE-MBNYWOFBSA-N 1 0 294.414 3.398 20 10 CGCDRO CC[C@H](C[NH2+][C@@H](C)c1ccc(N(C)CC)cc1)OC ZINC000810257860 630860066 /nfs/dbraw/zinc/86/00/66/630860066.db2.gz IGXSCFJWQTXHAP-XJKSGUPXSA-N 1 0 264.413 3.218 20 10 CGCDRO CCCN(CC)C[C@@H](C)[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000810262584 630862720 /nfs/dbraw/zinc/86/27/20/630862720.db2.gz SWXJDSHYOTWFKT-CABCVRRESA-N 1 0 278.440 3.472 20 10 CGCDRO COc1ccc(C[NH2+]Cc2ccc(SC)s2)c(O)c1 ZINC000811499024 631075359 /nfs/dbraw/zinc/07/53/59/631075359.db2.gz HTAMTWAWHFRDEW-UHFFFAOYSA-N 1 0 295.429 3.474 20 10 CGCDRO CC1(C)C[N@H+](Cc2cc(Cl)ccc2O)[C@H]1[C@@H]1CCCO1 ZINC000811510322 631078801 /nfs/dbraw/zinc/07/88/01/631078801.db2.gz CENWMUDWTHOCQU-GJZGRUSLSA-N 1 0 295.810 3.435 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)cc1C ZINC000811510875 631080339 /nfs/dbraw/zinc/08/03/39/631080339.db2.gz QNJDXXKQTWQASK-IRXDYDNUSA-N 1 0 289.419 3.398 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)cc1C ZINC000811510876 631080736 /nfs/dbraw/zinc/08/07/36/631080736.db2.gz QNJDXXKQTWQASK-SJORKVTESA-N 1 0 289.419 3.398 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c1 ZINC000811778773 631119802 /nfs/dbraw/zinc/11/98/02/631119802.db2.gz NSFYTNZQHLCHLG-NVXWUHKLSA-N 1 0 289.419 3.398 20 10 CGCDRO CC[N@H+](CCC[C@@H]1CCO1)Cc1ccc(N(C)C)cc1 ZINC000876522451 634850724 /nfs/dbraw/zinc/85/07/24/634850724.db2.gz REECMOHFIFXOPR-QGZVFWFLSA-N 1 0 276.424 3.144 20 10 CGCDRO CCC(CC)(C[NH2+]Cc1ccc(N(C)C)c(F)c1)OC ZINC000813793645 631462492 /nfs/dbraw/zinc/46/24/92/631462492.db2.gz WJXWSBDKCBVFMT-UHFFFAOYSA-N 1 0 282.403 3.187 20 10 CGCDRO CC[C@H](O)C[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1O ZINC000813884907 631476161 /nfs/dbraw/zinc/47/61/61/631476161.db2.gz OXNJPSGTUPXHHC-JQWIXIFHSA-N 1 0 291.313 3.223 20 10 CGCDRO Cc1cc(C[N@@H+]2CCCC3(CC3)C2)ccc1N(C)C ZINC000815096025 631716267 /nfs/dbraw/zinc/71/62/67/631716267.db2.gz ZTGHKCIFQNBPGY-UHFFFAOYSA-N 1 0 258.409 3.437 20 10 CGCDRO Cc1cc(C[N@@H+](C)[C@]2(CO)CC[C@@H](C)C2)ccc1N(C)C ZINC000815095675 631716349 /nfs/dbraw/zinc/71/63/49/631716349.db2.gz FVUGYZIPDBDMKB-RDTXWAMCSA-N 1 0 290.451 3.044 20 10 CGCDRO CCN(C)c1ccc(C[N@H+](CC2CCC2)[C@H](C)CO)cc1 ZINC000815106692 631718670 /nfs/dbraw/zinc/71/86/70/631718670.db2.gz ZSYBJDFNXCVVBE-OAHLLOKOSA-N 1 0 290.451 3.126 20 10 CGCDRO CCC[C@@]1([NH2+]Cc2ccc(N(C)C)c(C)c2)CCOC1 ZINC000815117039 631720349 /nfs/dbraw/zinc/72/03/49/631720349.db2.gz GTUQAACBMOGPOV-QGZVFWFLSA-N 1 0 276.424 3.110 20 10 CGCDRO COc1ccc(C[NH2+][C@H](C)c2c(C)cc(C)cc2O)cn1 ZINC000815557525 631795122 /nfs/dbraw/zinc/79/51/22/631795122.db2.gz WWGQIYGOLNGXGQ-CYBMUJFWSA-N 1 0 286.375 3.263 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+][C@H]2CCN(CC3CC3)C2)c(O)c1 ZINC000815578694 631799440 /nfs/dbraw/zinc/79/94/40/631799440.db2.gz TZUKOUHOXIJPRS-ZBFHGGJFSA-N 1 0 288.435 3.144 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cc[nH]c(=O)c2)c(O)c1 ZINC000815642949 631811310 /nfs/dbraw/zinc/81/13/10/631811310.db2.gz PFYFPCYAIGIPED-RYUDHWBXSA-N 1 0 272.348 3.213 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1cc[nH]c(=O)c1)c1ccc(N(C)C)cc1 ZINC000815642932 631811802 /nfs/dbraw/zinc/81/18/02/631811802.db2.gz PBDSHGSUGOIFDE-OLZOCXBDSA-N 1 0 285.391 3.265 20 10 CGCDRO CC1(C[NH2+]Cc2ccc3ccccc3c2O)CCOCC1 ZINC000816554951 632009900 /nfs/dbraw/zinc/00/99/00/632009900.db2.gz OAIMJHIFLQJLDV-UHFFFAOYSA-N 1 0 285.387 3.452 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc3ccccc3c2O)CCO1 ZINC000816559020 632012032 /nfs/dbraw/zinc/01/20/32/632012032.db2.gz VAHLJFDVQVMXGD-IUODEOHRSA-N 1 0 271.360 3.203 20 10 CGCDRO CC[C@H]1CC[C@H]([NH2+]Cc2cc(OC)ccc2O)CC1 ZINC000816625006 632026514 /nfs/dbraw/zinc/02/65/14/632026514.db2.gz OALBLRYPTYHKKT-MQMHXKEQSA-N 1 0 263.381 3.459 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+][C@@H](C)c2cc[nH]c(=O)c2)c1O ZINC000816638896 632028827 /nfs/dbraw/zinc/02/88/27/632028827.db2.gz BBUWYYOUFDUJOS-JTQLQIEISA-N 1 0 292.766 3.305 20 10 CGCDRO CC(C)[C@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)CCCO1 ZINC000816676217 632042228 /nfs/dbraw/zinc/04/22/28/632042228.db2.gz VWUAIGJUPQSACN-QGZVFWFLSA-N 1 0 294.414 3.139 20 10 CGCDRO OCC[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)CC1 ZINC000817418890 632147153 /nfs/dbraw/zinc/14/71/53/632147153.db2.gz KHHVGDJQILFHKO-GFCCVEGCSA-N 1 0 283.799 3.030 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]CCCC2(O)CCC2)c2c1c(F)ccc2O ZINC000817585188 632190485 /nfs/dbraw/zinc/19/04/85/632190485.db2.gz CCCPONMRYAHCGS-YPMHNXCESA-N 1 0 293.382 3.364 20 10 CGCDRO CC[C@@H]([NH2+]CCCC1(O)CCC1)c1ccc(N(C)C)cc1 ZINC000817586196 632191315 /nfs/dbraw/zinc/19/13/15/632191315.db2.gz LVNIAHKHZMPXLM-QGZVFWFLSA-N 1 0 290.451 3.489 20 10 CGCDRO Cc1ccc([C@@H](C)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)o1 ZINC000817938688 632238727 /nfs/dbraw/zinc/23/87/27/632238727.db2.gz PUWDELWFIJWUSM-CZUORRHYSA-N 1 0 287.407 3.005 20 10 CGCDRO C[C@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccsc1 ZINC000817938481 632238751 /nfs/dbraw/zinc/23/87/51/632238751.db2.gz LFBMRJHJGDVYPZ-BLLLJJGKSA-N 1 0 289.448 3.165 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1ccccc1 ZINC000817939078 632239444 /nfs/dbraw/zinc/23/94/44/632239444.db2.gz YOWMRPXBESSHDX-RBUKOAKNSA-N 1 0 297.446 3.493 20 10 CGCDRO C[C@@H]1CC[C@H](C)[C@@H]([NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)C1 ZINC000817942157 632241234 /nfs/dbraw/zinc/24/12/34/632241234.db2.gz MNZUBVUTVNUAJW-NONVJHHQSA-N 1 0 289.467 3.167 20 10 CGCDRO CC[NH2+]CCC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000817943764 632242015 /nfs/dbraw/zinc/24/20/15/632242015.db2.gz SIQFWZPEPAKGJW-JTQLQIEISA-N 1 0 290.329 3.061 20 10 CGCDRO C[C@@H](NC[C@H]1CCCC[NH2+]1)c1cc2c(cc1O)CCCC2 ZINC000817949897 632247067 /nfs/dbraw/zinc/24/70/67/632247067.db2.gz OUWNPXKGBLDDKS-CZUORRHYSA-N 1 0 288.435 3.064 20 10 CGCDRO CC[NH2+]CCN[C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000817951175 632248024 /nfs/dbraw/zinc/24/80/24/632248024.db2.gz AOLSZOJOLNTWPJ-AWEZNQCLSA-N 1 0 293.430 3.076 20 10 CGCDRO COc1ccc([C@H](C)[NH2+]CCc2ccc(N)cc2)c(F)c1 ZINC000817956335 632251326 /nfs/dbraw/zinc/25/13/26/632251326.db2.gz WPJRZDOKWLPGBE-LBPRGKRZSA-N 1 0 288.366 3.310 20 10 CGCDRO CC[C@@H]([NH2+]CCc1ccc(N)cc1)c1ccc(F)cn1 ZINC000817957351 632252068 /nfs/dbraw/zinc/25/20/68/632252068.db2.gz LDRQIFVQYSYSHH-OAHLLOKOSA-N 1 0 273.355 3.086 20 10 CGCDRO C[C@@H](C[NH3+])N[C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000817970365 632265219 /nfs/dbraw/zinc/26/52/19/632265219.db2.gz SJRGTCDUKDGFBR-GJZGRUSLSA-N 1 0 275.440 3.065 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2NCCc3ccccc32)c(O)c1 ZINC000817973399 632266284 /nfs/dbraw/zinc/26/62/84/632266284.db2.gz FFNRRKGSHGTGLJ-KSSFIOAISA-N 1 0 296.414 3.238 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(C)cc(N)c2)c1 ZINC000817980127 632270137 /nfs/dbraw/zinc/27/01/37/632270137.db2.gz JAJDPIIAJNFIQT-GFCCVEGCSA-N 1 0 286.375 3.142 20 10 CGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H](C)C(C)C)C2)cc1 ZINC000818344727 632310514 /nfs/dbraw/zinc/31/05/14/632310514.db2.gz QDPDRPBRJUNUFM-CABCVRRESA-N 1 0 276.424 3.156 20 10 CGCDRO C[C@@H](c1ccccc1)[C@H](O)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000818941656 632354861 /nfs/dbraw/zinc/35/48/61/632354861.db2.gz NASQMWMXYUPRIG-HNAYVOBHSA-N 1 0 298.430 3.007 20 10 CGCDRO COc1ccc(C[NH2+]C[C@H](O)[C@H](C)c2ccccc2)cc1C ZINC000818997570 632361792 /nfs/dbraw/zinc/36/17/92/632361792.db2.gz FZONBJTUCIOHSU-QAPCUYQASA-N 1 0 299.414 3.258 20 10 CGCDRO C[C@H](O)C[NH2+]Cc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000819290495 632421132 /nfs/dbraw/zinc/42/11/32/632421132.db2.gz HMWVSOGKPGITFG-OLZOCXBDSA-N 1 0 296.842 3.047 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccnc(F)c2)c(O)c1 ZINC000866472668 633147402 /nfs/dbraw/zinc/14/74/02/633147402.db2.gz CPHCWFXOIBJJRN-NSHDSACASA-N 1 0 260.312 3.086 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CCOCC1)c1cc(F)ccc1O ZINC000866539112 633182507 /nfs/dbraw/zinc/18/25/07/633182507.db2.gz GHXKZNRAHYHVEK-FFSVYQOJSA-N 1 0 293.382 3.245 20 10 CGCDRO CC[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)CCO1 ZINC000824195589 633210851 /nfs/dbraw/zinc/21/08/51/633210851.db2.gz IIKZBBJHMSCKMV-YSVLISHTSA-N 1 0 276.424 3.361 20 10 CGCDRO C[C@@H]([NH2+][C@H](C)c1ccc(Cl)cc1O)c1ccnn1C ZINC000866612653 633212916 /nfs/dbraw/zinc/21/29/16/633212916.db2.gz AYEVQEAVVBHKAS-NXEZZACHSA-N 1 0 279.771 3.191 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](C)c1ccnn1C)c1ccc(C)cc1O ZINC000866613334 633213781 /nfs/dbraw/zinc/21/37/81/633213781.db2.gz HLUXOJCXKYGJGO-GXTWGEPZSA-N 1 0 273.380 3.236 20 10 CGCDRO CC[C@H](C[C@@H](C)O)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000866635891 633224079 /nfs/dbraw/zinc/22/40/79/633224079.db2.gz UUJCMEROQNDOHF-JFGNBEQYSA-N 1 0 271.788 3.246 20 10 CGCDRO Cc1cc(O)c(C[N@H+](CCO)C2CCCC2)cc1Cl ZINC000824484565 633250272 /nfs/dbraw/zinc/25/02/72/633250272.db2.gz LWYXBPDJPWUYPN-UHFFFAOYSA-N 1 0 283.799 3.091 20 10 CGCDRO CC[C@@H](CO)[N@H+](C)Cc1cc(-c2ccccc2)ccc1O ZINC000824533753 633255652 /nfs/dbraw/zinc/25/56/52/633255652.db2.gz MRZKTAMZKXKEHU-KRWDZBQOSA-N 1 0 285.387 3.262 20 10 CGCDRO Oc1ccc(F)cc1C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000824697113 633273995 /nfs/dbraw/zinc/27/39/95/633273995.db2.gz YXZIPUBZYPUESX-UXLLHSPISA-N 1 0 293.382 3.047 20 10 CGCDRO CC/C=C\C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000824702252 633276774 /nfs/dbraw/zinc/27/67/74/633276774.db2.gz KEMOSHMBBYKHCY-PLNGDYQASA-N 1 0 274.408 3.220 20 10 CGCDRO Cc1cccc(C[NH2+]C[C@H]2CCOC3(CCC3)C2)c1O ZINC000824750927 633282796 /nfs/dbraw/zinc/28/27/96/633282796.db2.gz PSQVCTRSRJIQGM-AWEZNQCLSA-N 1 0 275.392 3.140 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]C[C@H]1CCOC2(CCC2)C1 ZINC000824750094 633283404 /nfs/dbraw/zinc/28/34/04/633283404.db2.gz CXVGFZJDMSHHGM-LBPRGKRZSA-N 1 0 295.810 3.485 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]C[C@]2(C)CC2(Cl)Cl)c1 ZINC000824765892 633285269 /nfs/dbraw/zinc/28/52/69/633285269.db2.gz QSHIEHLWTXXNFP-LBPRGKRZSA-N 1 0 274.191 3.374 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)cc1Cl ZINC000824895607 633302730 /nfs/dbraw/zinc/30/27/30/633302730.db2.gz ZZFNBCYEAIMAKT-OLZOCXBDSA-N 1 0 295.810 3.212 20 10 CGCDRO CC[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)CC(C)C ZINC000876580791 634862704 /nfs/dbraw/zinc/86/27/04/634862704.db2.gz QOPIWYPOUYVEQF-UHFFFAOYSA-N 1 0 290.451 3.126 20 10 CGCDRO COc1cccc(C[N@@H+]2C[C@H](C3CC3)[C@H]2C2CC2)c1O ZINC000824941359 633309182 /nfs/dbraw/zinc/30/91/82/633309182.db2.gz MSMRTWKOTJUFLN-GDBMZVCRSA-N 1 0 273.376 3.021 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)c1nccn1CC)c1ccccc1O ZINC000825005383 633316424 /nfs/dbraw/zinc/31/64/24/633316424.db2.gz JBZCIHUFJIVUNP-JSGCOSHPSA-N 1 0 273.380 3.411 20 10 CGCDRO Cc1cc(O)c(C[N@@H+](C)[C@@H](CO)CC(C)(C)C)cc1C ZINC000825040637 633321198 /nfs/dbraw/zinc/32/11/98/633321198.db2.gz QKHSDRHAYJHCEX-OAHLLOKOSA-N 1 0 279.424 3.238 20 10 CGCDRO CCc1nc(C[NH2+][C@@H](CC)c2ccccc2O)co1 ZINC000825061459 633324849 /nfs/dbraw/zinc/32/48/49/633324849.db2.gz GJJQWIADLOUJHV-ZDUSSCGKSA-N 1 0 260.337 3.184 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCCCO2)cc1Cl ZINC000825142778 633331736 /nfs/dbraw/zinc/33/17/36/633331736.db2.gz BYSFIVUOPGOKHH-GFCCVEGCSA-N 1 0 269.772 3.013 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cnc(C3CC3)o2)c1 ZINC000825178942 633334577 /nfs/dbraw/zinc/33/45/77/633334577.db2.gz IYPOJNQFYLCZTR-SNVBAGLBSA-N 1 0 288.347 3.117 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]CC(C)(C)C2(O)CCCC2)c1 ZINC000825232068 633338033 /nfs/dbraw/zinc/33/80/33/633338033.db2.gz NNAGXJLEYAWFJL-UHFFFAOYSA-N 1 0 277.408 3.122 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cc(Cl)c(C)cc1O)[C@@H]1CCCO1 ZINC000825390195 633351568 /nfs/dbraw/zinc/35/15/68/633351568.db2.gz CHZHTAZLFBQMEL-HIFRSBDPSA-N 1 0 283.799 3.401 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)cc1Cl ZINC000825396658 633352151 /nfs/dbraw/zinc/35/21/51/633352151.db2.gz WFACXFVGCOCUSU-PTEHBNRSSA-N 1 0 283.799 3.400 20 10 CGCDRO CC[C@@]1(CO)CCC[N@@H+]1Cc1cc(Cl)c(C)cc1O ZINC000825634548 633369057 /nfs/dbraw/zinc/36/90/57/633369057.db2.gz OJYLUCIQAWBUSQ-HNNXBMFYSA-N 1 0 283.799 3.091 20 10 CGCDRO CO[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825773397 633381622 /nfs/dbraw/zinc/38/16/22/633381622.db2.gz FWJNUQLKPPWKRH-ZFWWWQNUSA-N 1 0 283.799 3.401 20 10 CGCDRO Cc1cc(O)c(C[NH+]2CCC([C@H](C)CO)CC2)cc1Cl ZINC000826139704 633407289 /nfs/dbraw/zinc/40/72/89/633407289.db2.gz LVCJHJCPWBXELV-GFCCVEGCSA-N 1 0 297.826 3.194 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]C1CC(CF)(CF)C1 ZINC000826140043 633407623 /nfs/dbraw/zinc/40/76/23/633407623.db2.gz WCIAYDZERTUKOV-UHFFFAOYSA-N 1 0 275.726 3.223 20 10 CGCDRO CCc1cccc(C[NH2+]CCc2noc3ccccc23)c1O ZINC000826804372 633434510 /nfs/dbraw/zinc/43/45/10/633434510.db2.gz WSVHZMFEPPBREG-UHFFFAOYSA-N 1 0 296.370 3.428 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCN(C(C)(C)C)C1 ZINC000826872284 633439275 /nfs/dbraw/zinc/43/92/75/633439275.db2.gz KBPRTPKMPBXONG-MRXNPFEDSA-N 1 0 289.467 3.023 20 10 CGCDRO Cc1ccc(CC2C[NH+](Cc3ccccc3O)C2)cc1 ZINC000827321318 633481963 /nfs/dbraw/zinc/48/19/63/633481963.db2.gz OFLXUCUSFOIOCM-UHFFFAOYSA-N 1 0 267.372 3.375 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)c1cnc(C)nc1C ZINC000122700923 633492829 /nfs/dbraw/zinc/49/28/29/633492829.db2.gz IHRBLSUAKJJNIY-CYBMUJFWSA-N 1 0 298.434 3.319 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@@H](O)[C@@H](C)c2ccccc2)c1O ZINC000827733825 633513298 /nfs/dbraw/zinc/51/32/98/633513298.db2.gz PGHTYUKUZCZBIA-KBXCAEBGSA-N 1 0 299.414 3.209 20 10 CGCDRO OCC1(C[NH2+]Cc2cc(Cl)ccc2O)CCCCC1 ZINC000122865332 633524726 /nfs/dbraw/zinc/52/47/26/633524726.db2.gz LDWQFVWIEMBNOX-UHFFFAOYSA-N 1 0 283.799 3.078 20 10 CGCDRO CC[C@@H]([NH2+]Cc1nnc(C2CC2)s1)c1ccccc1O ZINC000828686933 633642299 /nfs/dbraw/zinc/64/22/99/633642299.db2.gz CBBCXLKTGIUIQF-GFCCVEGCSA-N 1 0 289.404 3.362 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCC[C@]3(CC3(F)F)C2)c1O ZINC000846104321 636143082 /nfs/dbraw/zinc/14/30/82/636143082.db2.gz HBVVFBKOZGLADC-AWEZNQCLSA-N 1 0 267.319 3.322 20 10 CGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@]3(CC3(F)F)C2)cc1 ZINC000846118261 636147735 /nfs/dbraw/zinc/14/77/35/636147735.db2.gz WISIJZRRCRHKKH-QGZUEGPWSA-N 1 0 292.373 3.497 20 10 CGCDRO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N(C)C)c(C)c1 ZINC000832574650 634074510 /nfs/dbraw/zinc/07/45/10/634074510.db2.gz NNTPQPMOPSDZGE-NVXWUHKLSA-N 1 0 276.424 3.108 20 10 CGCDRO C[C@H](CN1CCC[C@@H](C)C1)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834531258 634176704 /nfs/dbraw/zinc/17/67/04/634176704.db2.gz ULHZXUDYAYGTFY-IIAWOOMASA-N 1 0 288.435 3.090 20 10 CGCDRO CSC1CC[NH+](Cc2c(O)ccc3ccncc32)CC1 ZINC000872626127 634178623 /nfs/dbraw/zinc/17/86/23/634178623.db2.gz HDNGGWQHPDEJOF-UHFFFAOYSA-N 1 0 288.416 3.268 20 10 CGCDRO Cc1ccccc1OCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834540484 634178854 /nfs/dbraw/zinc/17/88/54/634178854.db2.gz ARAVGLSGVSMZNK-HNNXBMFYSA-N 1 0 283.371 3.357 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@H]3CSC[C@@H]3C2)c1 ZINC000872723350 634195913 /nfs/dbraw/zinc/19/59/13/634195913.db2.gz XQNIPBNWRKJQGE-ZFWWWQNUSA-N 1 0 277.433 3.194 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H]3CSC[C@@H]3C2)cc1C ZINC000872721192 634196143 /nfs/dbraw/zinc/19/61/43/634196143.db2.gz CWVWFPUIXYXUNJ-HIFRSBDPSA-N 1 0 277.433 3.194 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H]3CSC[C@H]3C2)cc1C ZINC000872721193 634196691 /nfs/dbraw/zinc/19/66/91/634196691.db2.gz CWVWFPUIXYXUNJ-UKRRQHHQSA-N 1 0 277.433 3.194 20 10 CGCDRO CN1Cc2ccccc2[C@H]([NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000834693080 634220610 /nfs/dbraw/zinc/22/06/10/634220610.db2.gz KKXATOYGPDRURS-DLBZAZTESA-N 1 0 294.398 3.156 20 10 CGCDRO CCC[C@H](C)[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873006820 634229873 /nfs/dbraw/zinc/22/98/73/634229873.db2.gz SEIGTTSVMCHYMR-AWEZNQCLSA-N 1 0 287.407 3.218 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@H]2CC[C@H](O)CC2)cc1C ZINC000873094433 634245088 /nfs/dbraw/zinc/24/50/88/634245088.db2.gz IIHVHSYHTJTZOU-WKILWMFISA-N 1 0 277.408 3.177 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@H](C)C[C@@H](C)O)cc1C ZINC000873103073 634246331 /nfs/dbraw/zinc/24/63/31/634246331.db2.gz WRHGTTFHXILCAT-ZIAGYGMSSA-N 1 0 265.397 3.033 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCC(C)(C)CO)c1O ZINC000834869627 634260476 /nfs/dbraw/zinc/26/04/76/634260476.db2.gz BXOLXSKIOCFMST-LLVKDONJSA-N 1 0 285.815 3.413 20 10 CGCDRO C[C@H]1C[C@H]([NH2+]CCC(C)(C)CO)c2c1c(F)ccc2O ZINC000834871851 634261285 /nfs/dbraw/zinc/26/12/85/634261285.db2.gz UFMWNSXEBUUKNC-JQWIXIFHSA-N 1 0 281.371 3.078 20 10 CGCDRO C[C@H]([NH2+]CCC(C)(C)CO)c1cc2c(cc1O)CCCC2 ZINC000834871561 634261473 /nfs/dbraw/zinc/26/14/73/634261473.db2.gz RGRZPXLTAOQKCX-ZDUSSCGKSA-N 1 0 291.435 3.330 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2CCOC2(C)C)cc1 ZINC000834874373 634262379 /nfs/dbraw/zinc/26/23/79/634262379.db2.gz CVZIKBNZWGXGDQ-CJNGLKHVSA-N 1 0 276.424 3.361 20 10 CGCDRO CC[C@@](C)(C[NH2+][C@@H](C)c1c(C)cc(C)cc1O)OC ZINC000834881963 634264120 /nfs/dbraw/zinc/26/41/20/634264120.db2.gz HFYGASYBLOLXDZ-BBRMVZONSA-N 1 0 265.397 3.475 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@H](O)c1ccccc1 ZINC000873193661 634278720 /nfs/dbraw/zinc/27/87/20/634278720.db2.gz NJPITOONURHELN-RBUKOAKNSA-N 1 0 298.430 3.354 20 10 CGCDRO CN(C)c1ccc(/C=C\C[N@H+](C)Cc2ccoc2)cc1 ZINC000835025399 634324554 /nfs/dbraw/zinc/32/45/54/634324554.db2.gz FLMZKGNKNBBQFQ-PLNGDYQASA-N 1 0 270.376 3.491 20 10 CGCDRO CCO[C@@H]1CCC[N@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835025475 634324695 /nfs/dbraw/zinc/32/46/95/634324695.db2.gz VMDZYHRHWSLINI-SUQGKYDKSA-N 1 0 288.435 3.267 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+]CCCCn2ccnc2)cc1 ZINC000835034457 634327425 /nfs/dbraw/zinc/32/74/25/634327425.db2.gz AGRINHSIJXULRE-AATRIKPKSA-N 1 0 298.434 3.032 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+]CCOC2CCCC2)cc1 ZINC000835037535 634328611 /nfs/dbraw/zinc/32/86/11/634328611.db2.gz QFDFZYVTVYZKJR-WAYWQWQTSA-N 1 0 288.435 3.315 20 10 CGCDRO CO[C@H](C[NH2+]C/C=C/c1ccc(N(C)C)cc1)C(C)C ZINC000835043164 634330234 /nfs/dbraw/zinc/33/02/34/634330234.db2.gz NOMTUKGVPOFXBC-DKRLNXSXSA-N 1 0 276.424 3.026 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+]CCNc2ccccc2)cc1 ZINC000835042035 634330261 /nfs/dbraw/zinc/33/02/61/634330261.db2.gz GHJGXNSKIQLRBC-VOTSOKGWSA-N 1 0 295.430 3.468 20 10 CGCDRO C[C@@H]1CSCC[N@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835048373 634334396 /nfs/dbraw/zinc/33/43/96/634334396.db2.gz HNWMBUSBJDFSBG-RGDDUWESSA-N 1 0 290.476 3.451 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+]C2CC(F)(F)C2)cc1 ZINC000835049327 634335041 /nfs/dbraw/zinc/33/50/41/634335041.db2.gz QJSJWXDRIPFXPN-ONEGZZNKSA-N 1 0 266.335 3.153 20 10 CGCDRO CO[C@@H]1CC[N@H+](C/C=C/c2ccc(N(C)C)cc2)C[C@@H]1C ZINC000835054007 634337889 /nfs/dbraw/zinc/33/78/89/634337889.db2.gz GONXGAYFQZDQFK-HLJKATFASA-N 1 0 288.435 3.123 20 10 CGCDRO Cc1cc(C[NH2+]C/C=C\c2ccc(N(C)C)cc2)ccn1 ZINC000835054765 634339659 /nfs/dbraw/zinc/33/96/59/634339659.db2.gz MLDFJOYSHIFZJK-PLNGDYQASA-N 1 0 281.403 3.259 20 10 CGCDRO CCOc1ccc(C[NH2+]C[C@@H]2CCOC(C)(C)C2)c(O)c1 ZINC000835060608 634341965 /nfs/dbraw/zinc/34/19/65/634341965.db2.gz RZCNDDBJXJCFOR-CYBMUJFWSA-N 1 0 293.407 3.086 20 10 CGCDRO C[N@H+](Cc1ccc(C(F)F)nc1)Cc1ccccc1O ZINC000876616104 634868903 /nfs/dbraw/zinc/86/89/03/634868903.db2.gz SGKFPETUIHVARF-UHFFFAOYSA-N 1 0 278.302 3.357 20 10 CGCDRO Cc1ccc(C[NH2+][C@H](C)[C@H](O)c2ccc(F)cc2)c(O)c1 ZINC000877034615 634957060 /nfs/dbraw/zinc/95/70/60/634957060.db2.gz LKFQWLNHCAUCIZ-PXAZEXFGSA-N 1 0 289.350 3.051 20 10 CGCDRO Cc1ccc(C[NH2+]C[C@]2(C)CCCS2)c(O)c1 ZINC000877085803 634979751 /nfs/dbraw/zinc/97/97/51/634979751.db2.gz XQHRMJNFXBDKCH-AWEZNQCLSA-N 1 0 251.395 3.076 20 10 CGCDRO Cc1noc(C)c1CCC[NH2+]Cc1ccc(C)cc1O ZINC000877093610 634982448 /nfs/dbraw/zinc/98/24/48/634982448.db2.gz SIGOCYPRORHONC-UHFFFAOYSA-N 1 0 274.364 3.028 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c(O)c1 ZINC000877117590 634989357 /nfs/dbraw/zinc/98/93/57/634989357.db2.gz KHRXDCVDAHCBRP-USXIJHARSA-N 1 0 287.403 3.138 20 10 CGCDRO CCCCn1cc(C[NH2+]Cc2ccc(C)cc2O)c(C)n1 ZINC000877133002 634996198 /nfs/dbraw/zinc/99/61/98/634996198.db2.gz TVIGBGRGAAAKTM-UHFFFAOYSA-N 1 0 287.407 3.295 20 10 CGCDRO Cc1ccc(C[N@@H+](C)[C@@H](C)c2ccccn2)c(O)c1 ZINC000877170591 635006067 /nfs/dbraw/zinc/00/60/67/635006067.db2.gz QQIRBNNPHHOGPD-ZDUSSCGKSA-N 1 0 256.349 3.289 20 10 CGCDRO Cc1csc([C@H](C)C[NH2+]Cc2ccc(C)cc2O)n1 ZINC000877332876 635028072 /nfs/dbraw/zinc/02/80/72/635028072.db2.gz KBQKITRTCLBVDY-LLVKDONJSA-N 1 0 276.405 3.359 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCS[C@@H](C)CC2)c(O)c1 ZINC000877475451 635050653 /nfs/dbraw/zinc/05/06/53/635050653.db2.gz HVGNWHQSRVYEGG-LBPRGKRZSA-N 1 0 251.395 3.028 20 10 CGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@@H]1CCOC(C)(C)C1 ZINC000877478941 635052341 /nfs/dbraw/zinc/05/23/41/635052341.db2.gz RESCDXPROCMDCN-MRXNPFEDSA-N 1 0 276.424 3.319 20 10 CGCDRO C[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)c1ccn(C)n1 ZINC000840817941 635057904 /nfs/dbraw/zinc/05/79/04/635057904.db2.gz XQMSUASRGUIBOE-UWVGGRQHSA-N 1 0 279.771 3.191 20 10 CGCDRO CCc1ccc([C@@H](O)C[NH2+]Cc2ccc(C)cc2O)cc1 ZINC000877513989 635066075 /nfs/dbraw/zinc/06/60/75/635066075.db2.gz FUKGQWCKJHDPCH-SFHVURJKSA-N 1 0 285.387 3.086 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)c1ccc(C)c(C)c1O)[C@H](O)C(C)C ZINC000840883069 635073571 /nfs/dbraw/zinc/07/35/71/635073571.db2.gz RQPWHNYGTGMJJI-VNQPRFMTSA-N 1 0 279.424 3.455 20 10 CGCDRO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc(C)cc1O ZINC000877530413 635074621 /nfs/dbraw/zinc/07/46/21/635074621.db2.gz DEXFLKVQLNHOIG-HNNXBMFYSA-N 1 0 285.391 3.378 20 10 CGCDRO CC[C@H](COC)[NH2+][C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000840893564 635077393 /nfs/dbraw/zinc/07/73/93/635077393.db2.gz LMWRNKVRKPUNEY-GOEBONIOSA-N 1 0 278.440 3.007 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000840894736 635077482 /nfs/dbraw/zinc/07/74/82/635077482.db2.gz SFLVSDOZXOOITA-DAYGRLMNSA-N 1 0 290.451 3.149 20 10 CGCDRO Cc1occc1C[NH2+]CCCSc1nccs1 ZINC000840900923 635079021 /nfs/dbraw/zinc/07/90/21/635079021.db2.gz ZQXMJSZOIJDSJA-UHFFFAOYSA-N 1 0 268.407 3.317 20 10 CGCDRO CCOC1CC[NH+](Cc2ccc(N(C)C)cc2C)CC1 ZINC000840910704 635079714 /nfs/dbraw/zinc/07/97/14/635079714.db2.gz QIIWJWVWAJLLNM-UHFFFAOYSA-N 1 0 276.424 3.062 20 10 CGCDRO CO[C@H]1CCC[C@H]1C[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840908055 635079933 /nfs/dbraw/zinc/07/99/33/635079933.db2.gz NXYQBDXBNJDUTG-NHYWBVRUSA-N 1 0 283.799 3.259 20 10 CGCDRO CC[N@@H+](Cc1ccc(N(C)C)cc1C)C[C@@H]1CCCO1 ZINC000840911663 635081331 /nfs/dbraw/zinc/08/13/31/635081331.db2.gz MAYFVGAVKYFFLT-KRWDZBQOSA-N 1 0 276.424 3.062 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CC[C@H]2CCCCO2)c(Cl)c1 ZINC000840936024 635085852 /nfs/dbraw/zinc/08/58/52/635085852.db2.gz DEPPFPBURAESFJ-GFCCVEGCSA-N 1 0 283.799 3.403 20 10 CGCDRO CO[C@]1(C)CCC[N@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000840940780 635087050 /nfs/dbraw/zinc/08/70/50/635087050.db2.gz FKCLWTVXDFQXLO-OAHLLOKOSA-N 1 0 283.799 3.355 20 10 CGCDRO CCCC[N@H+](Cc1ccc(C)nn1)Cc1ccccc1O ZINC000840943170 635088433 /nfs/dbraw/zinc/08/84/33/635088433.db2.gz IHCCJLDCJOJZSQ-UHFFFAOYSA-N 1 0 285.391 3.293 20 10 CGCDRO COC(=O)CCCCC[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840946270 635089189 /nfs/dbraw/zinc/08/91/89/635089189.db2.gz MSOPWXADDDWSGR-UHFFFAOYSA-N 1 0 299.798 3.177 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]C[C@H]1CCO[C@H](C(C)C)C1 ZINC000877565350 635094191 /nfs/dbraw/zinc/09/41/91/635094191.db2.gz GAIBYUUSIYIVEF-YOEHRIQHSA-N 1 0 277.408 3.241 20 10 CGCDRO C[NH+](C)Cc1ccc(NCc2cc(F)ccc2O)c(F)c1 ZINC000840958817 635094240 /nfs/dbraw/zinc/09/42/40/635094240.db2.gz UTRMLBYBWKAMRX-UHFFFAOYSA-N 1 0 292.329 3.344 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]C/C=C/c2ccc(N(C)C)cc2)CS1 ZINC000840959601 635094306 /nfs/dbraw/zinc/09/43/06/635094306.db2.gz WZTCBQOXHICTNL-GRJAPKLVSA-N 1 0 276.449 3.249 20 10 CGCDRO CC(C)[C@H]1[N@H+](Cc2cc(F)ccc2O)CC12CCOCC2 ZINC000840968780 635095794 /nfs/dbraw/zinc/09/57/94/635095794.db2.gz CWCRLWYPUYHGSK-MRXNPFEDSA-N 1 0 293.382 3.168 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1cccc(O)c1 ZINC000840975073 635098212 /nfs/dbraw/zinc/09/82/12/635098212.db2.gz CGNIYVGMLNUDAG-OAHLLOKOSA-N 1 0 298.430 3.487 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]C[C@@H]1CCCOC1 ZINC000840975702 635099022 /nfs/dbraw/zinc/09/90/22/635099022.db2.gz KNRCGDPQJNCSOX-HOTGVXAUSA-N 1 0 290.451 3.008 20 10 CGCDRO Cc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2c2ccccc2)c(O)c1 ZINC000877588574 635104253 /nfs/dbraw/zinc/10/42/53/635104253.db2.gz SRYGOIQFOQYCPC-SJORKVTESA-N 1 0 283.371 3.009 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]CC1CCC(F)CC1 ZINC000877607751 635109498 /nfs/dbraw/zinc/10/94/98/635109498.db2.gz KRIRANWXKWIXPH-UHFFFAOYSA-N 1 0 251.345 3.319 20 10 CGCDRO CC(C)c1ncc(C[NH2+]CCc2ccc(N)cc2)s1 ZINC000841035435 635111358 /nfs/dbraw/zinc/11/13/58/635111358.db2.gz NVJQNAPYWRCNKE-UHFFFAOYSA-N 1 0 275.421 3.181 20 10 CGCDRO Cc1ccc(C[NH2+][C@H](c2ccccc2F)[C@@H](C)O)c(O)c1 ZINC000877610924 635111563 /nfs/dbraw/zinc/11/15/63/635111563.db2.gz MDNRHAZPYDBZRB-PXAZEXFGSA-N 1 0 289.350 3.051 20 10 CGCDRO CC[C@@H]1CCC[C@H]([NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)C1 ZINC000841046045 635114538 /nfs/dbraw/zinc/11/45/38/635114538.db2.gz VCBYXEYXQSAJQT-UWWQBHOKSA-N 1 0 289.467 3.311 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H]2CCO[C@H]2c2ccccc2)c1O ZINC000877662152 635136772 /nfs/dbraw/zinc/13/67/72/635136772.db2.gz MLITZYSLCJWDQS-AEFFLSMTSA-N 1 0 283.371 3.320 20 10 CGCDRO CCOc1ccc(C[NH+]2CCC(SC)CC2)c(O)c1 ZINC000877663493 635137646 /nfs/dbraw/zinc/13/76/46/635137646.db2.gz RZZCSAGXWKFNPW-UHFFFAOYSA-N 1 0 281.421 3.118 20 10 CGCDRO Cc1cccc(C[N@@H+]2CC[C@H](O)C[C@@H]2c2ccccc2)c1O ZINC000877672507 635141223 /nfs/dbraw/zinc/14/12/23/635141223.db2.gz GFFLXNOUFMTRFH-ZWKOTPCHSA-N 1 0 297.398 3.399 20 10 CGCDRO COc1cc(O)c(C[NH2+][C@H](C)CC2CCC2)cc1OC ZINC000877700207 635151259 /nfs/dbraw/zinc/15/12/59/635151259.db2.gz IOMDXYPCLBQVMC-LLVKDONJSA-N 1 0 279.380 3.078 20 10 CGCDRO CCOC(=O)c1ccc(C[NH2+][C@@H](C)c2ccccc2O)o1 ZINC000877757155 635185900 /nfs/dbraw/zinc/18/59/00/635185900.db2.gz JUBLGFBWVVFNHW-NSHDSACASA-N 1 0 289.331 3.013 20 10 CGCDRO C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(Cl)cc1[O-] ZINC000841745314 635221676 /nfs/dbraw/zinc/22/16/76/635221676.db2.gz XLELZRDFHNQSSA-GFCCVEGCSA-N 1 0 282.815 3.182 20 10 CGCDRO Cc1csc([C@H]2CC[N@H+](Cc3ccc(C)cc3O)C2)n1 ZINC000877814639 635223633 /nfs/dbraw/zinc/22/36/33/635223633.db2.gz VUXKPZSMHLRCEF-AWEZNQCLSA-N 1 0 288.416 3.455 20 10 CGCDRO CC(C)C[C@H](O)C[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841747547 635224406 /nfs/dbraw/zinc/22/44/06/635224406.db2.gz RCFRFBQCUBIBHJ-PWSUYJOCSA-N 1 0 271.788 3.103 20 10 CGCDRO C[C@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1ccc(Cl)cc1O ZINC000841750812 635225022 /nfs/dbraw/zinc/22/50/22/635225022.db2.gz JDRJKWAZTBVHQG-WRWORJQWSA-N 1 0 297.704 3.010 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCOC1(C)C)c1ccc(Cl)cc1O ZINC000841755571 635229955 /nfs/dbraw/zinc/22/99/55/635229955.db2.gz JIDPILAEEBZZIY-ZANVPECISA-N 1 0 269.772 3.264 20 10 CGCDRO CC[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)[C@H]1CC1(C)C ZINC000841891687 635248343 /nfs/dbraw/zinc/24/83/43/635248343.db2.gz SPOMKXPTBKJEMQ-NEPJUHHUSA-N 1 0 277.364 3.035 20 10 CGCDRO COc1ccc(N(C)CCCCCCC[NH3+])cc1OC ZINC000842472006 635378506 /nfs/dbraw/zinc/37/85/06/635378506.db2.gz LRFOYSKCAVVWRC-UHFFFAOYSA-N 1 0 280.412 3.049 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1CCCC(C)(C)O1)c1ccccc1O ZINC000878354097 635473159 /nfs/dbraw/zinc/47/31/59/635473159.db2.gz BIPLPNWWLLUCQQ-OLZOCXBDSA-N 1 0 263.381 3.391 20 10 CGCDRO CC(C)(C)O[C@H]1C[C@@H]([NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000842922875 635512160 /nfs/dbraw/zinc/51/21/60/635512160.db2.gz YLUIKMLITPSZIF-HZSPNIEDSA-N 1 0 275.392 3.315 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]C[C@H]1CCCCS1 ZINC000127351874 635632125 /nfs/dbraw/zinc/63/21/25/635632125.db2.gz QAPRJJGYBJGLKW-SNVBAGLBSA-N 1 0 271.813 3.421 20 10 CGCDRO Oc1cccc(Cl)c1C[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000843417596 635662636 /nfs/dbraw/zinc/66/26/36/635662636.db2.gz VECNVZGKFCDYHN-SWLSCSKDSA-N 1 0 295.810 3.437 20 10 CGCDRO CC[N@H+](CCSC)Cc1ccc(N(C)C)c(F)c1 ZINC000843437301 635675824 /nfs/dbraw/zinc/67/58/24/635675824.db2.gz ANSFILRPQHBDAA-UHFFFAOYSA-N 1 0 270.417 3.077 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(F)nc2C)c1 ZINC000845970836 636125311 /nfs/dbraw/zinc/12/53/11/636125311.db2.gz CWCBNVDKBGVBDM-NSHDSACASA-N 1 0 290.338 3.094 20 10 CGCDRO CCC[C@H](C)[C@H](CO)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000846015013 636129932 /nfs/dbraw/zinc/12/99/32/636129932.db2.gz UGUXIYGEFDBWSM-DEBUZZNISA-N 1 0 290.451 3.153 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+][C@@H](C1CC1)C1CCOCC1 ZINC000846042759 636137449 /nfs/dbraw/zinc/13/74/49/636137449.db2.gz PDHBNQIGWCOZBP-INIZCTEOSA-N 1 0 295.810 3.340 20 10 CGCDRO CCn1cc(C[N@H+](Cc2cc(F)ccc2O)C(C)C)cn1 ZINC000846054353 636139232 /nfs/dbraw/zinc/13/92/32/636139232.db2.gz AACULWHJRQACDN-UHFFFAOYSA-N 1 0 291.370 3.158 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCOC(C)(C)C2)c1O ZINC000846156733 636150597 /nfs/dbraw/zinc/15/05/97/636150597.db2.gz HHFVXQQZXSRPNG-NEPJUHHUSA-N 1 0 279.380 3.009 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]CC2(C(C)C)CC2)c1O ZINC000846152678 636150616 /nfs/dbraw/zinc/15/06/16/636150616.db2.gz BVTKLYAAYRHDHX-GFCCVEGCSA-N 1 0 263.381 3.488 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCC(F)(F)C2)c1O ZINC000846161397 636151229 /nfs/dbraw/zinc/15/12/29/636151229.db2.gz YHEPYDOUOQYSSI-VHSXEESVSA-N 1 0 271.307 3.239 20 10 CGCDRO COCC1(CC[NH2+][C@@H](C)c2cccc(OC)c2O)CCC1 ZINC000846168582 636151884 /nfs/dbraw/zinc/15/18/84/636151884.db2.gz AXDCEMHDRXJPFC-ZDUSSCGKSA-N 1 0 293.407 3.258 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H]2C[C@H]2C2CC2)c1O ZINC000846169473 636152924 /nfs/dbraw/zinc/15/29/24/636152924.db2.gz QYQIPEJJEVIFJG-OSMZGAPFSA-N 1 0 261.365 3.098 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)c1O ZINC000846169762 636153130 /nfs/dbraw/zinc/15/31/30/636153130.db2.gz SWMSOGNBJTUKON-MHDGFBEUSA-N 1 0 261.365 3.240 20 10 CGCDRO CCn1cc([C@H](C)[NH2+][C@H](C)c2cccc(OC)c2O)cn1 ZINC000846169107 636153184 /nfs/dbraw/zinc/15/31/84/636153184.db2.gz OFCQOZHCPWALKW-NWDGAFQWSA-N 1 0 289.379 3.029 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]CC(C)(C)OCC2CC2)c1O ZINC000846174901 636154150 /nfs/dbraw/zinc/15/41/50/636154150.db2.gz WOYSNNJNFHHAGO-GFCCVEGCSA-N 1 0 293.407 3.257 20 10 CGCDRO COc1cccc(C[N@H+](C)Cc2ccc(F)c(F)c2)c1O ZINC000130463574 636458967 /nfs/dbraw/zinc/45/89/67/636458967.db2.gz QJSOHXCEUCKGRM-UHFFFAOYSA-N 1 0 293.313 3.311 20 10 CGCDRO Oc1ccc(Br)cc1C[NH2+]CC1(C2CC2)CC1 ZINC000130679810 636493179 /nfs/dbraw/zinc/49/31/79/636493179.db2.gz AIZSWFZJQPDZJY-UHFFFAOYSA-N 1 0 296.208 3.435 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(Cl)cc1[O-] ZINC000848556741 636604411 /nfs/dbraw/zinc/60/44/11/636604411.db2.gz CDXRKNGBEOLQEU-WZRBSPASSA-N 1 0 282.815 3.036 20 10 CGCDRO COc1ccc(C[NH2+][C@@]2(c3ccccc3)C[C@@H](O)C2)cc1C ZINC000883234992 636604634 /nfs/dbraw/zinc/60/46/34/636604634.db2.gz QSWNJBKRDQCCNI-IZAXUBKRSA-N 1 0 297.398 3.143 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CC2(COC)CC2)cc1 ZINC000848560399 636605369 /nfs/dbraw/zinc/60/53/69/636605369.db2.gz CXUVBKDJEPXTBR-CQSZACIVSA-N 1 0 276.424 3.220 20 10 CGCDRO CCOCc1cc(C[NH2+]C[C@@H]2C=CCC2)ccc1OC ZINC000883238712 636607348 /nfs/dbraw/zinc/60/73/48/636607348.db2.gz KIYLRXXXSMEPIL-CQSZACIVSA-N 1 0 275.392 3.288 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@H]2C[C@H](OC(C)(C)C)C2)c1O ZINC000848566392 636609397 /nfs/dbraw/zinc/60/93/97/636609397.db2.gz WXUQVYKAIMZEFZ-AVGNSLFASA-N 1 0 293.407 3.398 20 10 CGCDRO CCOc1cccc(C[NH2+]C[C@H]2CCC(C)(C)CO2)c1O ZINC000883243598 636611384 /nfs/dbraw/zinc/61/13/84/636611384.db2.gz PYNCHTSTYWUDOO-CQSZACIVSA-N 1 0 293.407 3.086 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](CC)[C@H]2CCCCO2)c1 ZINC000848574542 636612709 /nfs/dbraw/zinc/61/27/09/636612709.db2.gz FLEMXBRPVCPWIJ-DOTOQJQBSA-N 1 0 293.407 3.228 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]CCc2ccns2)c2c1c(F)ccc2O ZINC000883247205 636616549 /nfs/dbraw/zinc/61/65/49/636616549.db2.gz CCNOLWWKQDOJSD-SKDRFNHKSA-N 1 0 292.379 3.368 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCCSC1 ZINC000131505653 636670555 /nfs/dbraw/zinc/67/05/55/636670555.db2.gz QPNPVYFAMWHMNY-CQSZACIVSA-N 1 0 264.438 3.046 20 10 CGCDRO CCc1cccc(C[N@@H+]2CC[C@@H](OCC(C)C)C2)c1O ZINC000848890880 636677672 /nfs/dbraw/zinc/67/76/72/636677672.db2.gz VGERZXHWOQTXPX-MRXNPFEDSA-N 1 0 277.408 3.202 20 10 CGCDRO CCc1cccc(C[NH2+]CCc2ccc3c(c2)OCO3)c1O ZINC000848890998 636678033 /nfs/dbraw/zinc/67/80/33/636678033.db2.gz MWUBVKNKTJJQHV-UHFFFAOYSA-N 1 0 299.370 3.016 20 10 CGCDRO CCc1cccc(C[NH2+][C@H](C)Cc2c(C)noc2C)c1O ZINC000848897349 636679822 /nfs/dbraw/zinc/67/98/22/636679822.db2.gz PKCMJENLSLHSLC-LLVKDONJSA-N 1 0 288.391 3.280 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H]2COc3ccccc3C2)c1O ZINC000848896043 636679957 /nfs/dbraw/zinc/67/99/57/636679957.db2.gz YXTOJTKYWGJONL-INIZCTEOSA-N 1 0 283.371 3.048 20 10 CGCDRO CCc1cccc(C[NH2+]CC[C@H]2CCO[C@@H](C)C2)c1O ZINC000848901897 636682485 /nfs/dbraw/zinc/68/24/85/636682485.db2.gz FWETYOAKTXUBRL-KBPBESRZSA-N 1 0 277.408 3.249 20 10 CGCDRO CCc1cccc(C[N@@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)c1O ZINC000848914793 636688470 /nfs/dbraw/zinc/68/84/70/636688470.db2.gz SPYHCOVETABACB-MSOLQXFVSA-N 1 0 287.403 3.098 20 10 CGCDRO CCc1cccc(C[NH2+][C@H](C)[C@@](C)(OC)C2CC2)c1O ZINC000848917810 636689759 /nfs/dbraw/zinc/68/97/59/636689759.db2.gz XPQKNNBVXFAHLZ-SJKOYZFVSA-N 1 0 277.408 3.248 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)c1O ZINC000848919221 636691054 /nfs/dbraw/zinc/69/10/54/636691054.db2.gz IBJRURLGYXWNEZ-IRXDYDNUSA-N 1 0 289.419 3.346 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)c1cc(OC)ccc1O)[C@@H]1CCCOC1 ZINC000883352739 636694261 /nfs/dbraw/zinc/69/42/61/636694261.db2.gz HHDSBIYKWJJDHN-IOASZLSFSA-N 1 0 293.407 3.257 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)c1cc(OC)ccc1O)[C@@H]1CCCOC1 ZINC000883352742 636694940 /nfs/dbraw/zinc/69/49/40/636694940.db2.gz HHDSBIYKWJJDHN-ZENOOKHLSA-N 1 0 293.407 3.257 20 10 CGCDRO CCc1cccc(C[NH2+]CCc2ncc(C)cc2C)c1O ZINC000848924238 636695550 /nfs/dbraw/zinc/69/55/50/636695550.db2.gz YOVSNVWVGUQNLK-UHFFFAOYSA-N 1 0 284.403 3.299 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCC[C@@H](OC3CCC3)C2)c1O ZINC000848925045 636697891 /nfs/dbraw/zinc/69/78/91/636697891.db2.gz LQHBBHDGKSWWMV-MRXNPFEDSA-N 1 0 275.392 3.234 20 10 CGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)c3ccncc3)C2)cc1 ZINC000849323214 636809280 /nfs/dbraw/zinc/80/92/80/636809280.db2.gz XIADSFAWXDQTDX-GDBMZVCRSA-N 1 0 297.402 3.020 20 10 CGCDRO C[C@H]1CCC[N@@H+]1Cc1cccc(Br)c1[O-] ZINC000132649397 636827881 /nfs/dbraw/zinc/82/78/81/636827881.db2.gz SJSVWOOFBHLGRF-VIFPVBQESA-N 1 0 270.170 3.139 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2C[C@H](O)c3ccccc32)c1 ZINC000850372477 637035349 /nfs/dbraw/zinc/03/53/49/637035349.db2.gz VCYSVPDOEBECEB-AEFFLSMTSA-N 1 0 299.370 3.059 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@]2(C)CC2(F)F)cc1 ZINC000850378877 637039298 /nfs/dbraw/zinc/03/92/98/637039298.db2.gz ATUCHFLFKXEFBN-RGDDUWESSA-N 1 0 280.362 3.401 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+]CC2=CCCC2)cc1 ZINC000850395195 637046244 /nfs/dbraw/zinc/04/62/44/637046244.db2.gz FFACABLIQFMYBR-YVMONPNESA-N 1 0 256.393 3.466 20 10 CGCDRO COc1ccc(C[NH2+]C[C@@H]2C(C)(C)C2(F)F)cc1C ZINC000850394636 637046617 /nfs/dbraw/zinc/04/66/17/637046617.db2.gz XPFJILDQTOGUIM-CYBMUJFWSA-N 1 0 269.335 3.385 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]C[C@@H]2C(C)(C)C2(F)F)c1 ZINC000850394269 637047137 /nfs/dbraw/zinc/04/71/37/637047137.db2.gz OIBXGSBZPUKTPI-GFCCVEGCSA-N 1 0 255.308 3.082 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@H](C(C)C)C2CC2)c1 ZINC000850399241 637047799 /nfs/dbraw/zinc/04/77/99/637047799.db2.gz WFFLYRCCYFRSMT-MRXNPFEDSA-N 1 0 263.381 3.315 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1)C1CCC1 ZINC000850485922 637086878 /nfs/dbraw/zinc/08/68/78/637086878.db2.gz CRDIPCVEVLWSSO-QAPCUYQASA-N 1 0 288.435 3.442 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+][C@H](C)CC3CC3)C2)cc1 ZINC000850488158 637088089 /nfs/dbraw/zinc/08/80/89/637088089.db2.gz LNKUUZCBTSMDGM-HIFRSBDPSA-N 1 0 274.408 3.052 20 10 CGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H]3CCC(C)(C)C3)C2)cc1 ZINC000850489083 637088888 /nfs/dbraw/zinc/08/88/88/637088888.db2.gz QJFICOCXIVIKHS-HUUCEWRRSA-N 1 0 288.435 3.442 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1)C1CC1 ZINC000850489565 637089042 /nfs/dbraw/zinc/08/90/42/637089042.db2.gz VGLBVBZRIULTJI-PBHICJAKSA-N 1 0 274.408 3.052 20 10 CGCDRO C[C@@H]([NH2+]C/C=C/CO)c1ccc(N2CCCCC2)c(F)c1 ZINC000850509103 637095005 /nfs/dbraw/zinc/09/50/05/637095005.db2.gz PHEAGWHTALSPPD-BOTMBNHJSA-N 1 0 292.398 3.015 20 10 CGCDRO CC[C@@H](O)C[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000850533033 637109304 /nfs/dbraw/zinc/10/93/04/637109304.db2.gz XKOIQWCOCJXYGZ-MAUKXSAKSA-N 1 0 290.451 3.489 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCC[C@H]1Cc1cnn(C)c1)c1ccccc1O ZINC000850539703 637113631 /nfs/dbraw/zinc/11/36/31/637113631.db2.gz FLNVXEMQRVZNSP-QRTARXTBSA-N 1 0 299.418 3.188 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@H](C(C)C)C2CC2)c1O ZINC000850556881 637121522 /nfs/dbraw/zinc/12/15/22/637121522.db2.gz MJOYLQRZEPLIGL-XHDPSFHLSA-N 1 0 263.381 3.486 20 10 CGCDRO CCCN1CC[C@H]([NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)C1 ZINC000850557287 637122067 /nfs/dbraw/zinc/12/20/67/637122067.db2.gz VZQHGUMLFHSMAX-OBJOEFQTSA-N 1 0 292.398 3.154 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CC2SCCS2)c(O)c1C ZINC000850559653 637123423 /nfs/dbraw/zinc/12/34/23/637123423.db2.gz DYFMASNLXOYUDD-LLVKDONJSA-N 1 0 283.462 3.466 20 10 CGCDRO C[C@@H]([NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)c1nccn1C ZINC000850571780 637128811 /nfs/dbraw/zinc/12/88/11/637128811.db2.gz AOOMZXZTIGOKDN-FOGDFJRCSA-N 1 0 289.354 3.164 20 10 CGCDRO CO[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000885953792 637328577 /nfs/dbraw/zinc/32/85/77/637328577.db2.gz GEBQDHCPVQMEGD-HUUCEWRRSA-N 1 0 294.414 3.329 20 10 CGCDRO c1cc(C[NH2+]C[C@@H]2CCC3(CCC3)CO2)cc2c1OCC2 ZINC000886318054 637498647 /nfs/dbraw/zinc/49/86/47/637498647.db2.gz IIOSVADUECZEGF-INIZCTEOSA-N 1 0 287.403 3.060 20 10 CGCDRO CS[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1O ZINC000219185633 637508338 /nfs/dbraw/zinc/50/83/38/637508338.db2.gz IEWBZYWIJXPBHS-TZMCWYRMSA-N 1 0 251.395 3.156 20 10 CGCDRO CCN(C)c1ccc(C[N@H+](C2CC2)C2(CO)CCC2)cc1 ZINC000852158986 637606926 /nfs/dbraw/zinc/60/69/26/637606926.db2.gz KYKXDIRAZDOOGF-UHFFFAOYSA-N 1 0 288.435 3.022 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]CC[C@@H]2CC(C)(C)CO2)c1O ZINC000886717514 637669570 /nfs/dbraw/zinc/66/95/70/637669570.db2.gz BLKQAHQAZJHYHV-QWHCGFSZSA-N 1 0 293.407 3.257 20 10 CGCDRO [NH3+]Cc1ccc2c(c1)CCCN2CCC1SCCS1 ZINC000853023427 637736918 /nfs/dbraw/zinc/73/69/18/637736918.db2.gz WUOPGEVMPRCQQP-UHFFFAOYSA-N 1 0 294.489 3.094 20 10 CGCDRO CC(C)[C@H]([NH3+])CC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000853247311 637793378 /nfs/dbraw/zinc/79/33/78/637793378.db2.gz LPOKRCBFMXZQRW-GFCCVEGCSA-N 1 0 291.222 3.162 20 10 CGCDRO Oc1ccc2ccccc2c1C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000853584766 637870360 /nfs/dbraw/zinc/87/03/60/637870360.db2.gz BMBKLPTXOVADMU-CABCVRRESA-N 1 0 283.371 3.014 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]C1CC2(CCC2)C1 ZINC000829314668 638215933 /nfs/dbraw/zinc/21/59/33/638215933.db2.gz SQMITKZNKGEGBF-UHFFFAOYSA-N 1 0 251.757 3.468 20 10 CGCDRO COc1ccc(O)c(C[NH2+]Cc2ccc(C)c(F)c2)c1 ZINC000114506045 638374340 /nfs/dbraw/zinc/37/43/40/638374340.db2.gz MRIPBVQIHSFASY-UHFFFAOYSA-N 1 0 275.323 3.138 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]CC[C@H]1CC1(Cl)Cl ZINC000857066112 638448961 /nfs/dbraw/zinc/44/89/61/638448961.db2.gz XNTUCELCWOMDDJ-VIFPVBQESA-N 1 0 278.154 3.205 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cccc2n[nH]cc21 ZINC000858139214 638640660 /nfs/dbraw/zinc/64/06/60/638640660.db2.gz QRWUQXBUZUTEGC-UHFFFAOYSA-N 1 0 294.402 3.227 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2cnc(C3CC3)s2)c1 ZINC000858237042 638661472 /nfs/dbraw/zinc/66/14/72/638661472.db2.gz DHHFFXBOHHYNCZ-UHFFFAOYSA-N 1 0 274.389 3.324 20 10 CGCDRO CCOc1ccc(C[NH2+]Cc2cc(C)ccc2O)c(O)c1 ZINC000858237732 638661814 /nfs/dbraw/zinc/66/18/14/638661814.db2.gz PIJGWNBCGJMOLH-UHFFFAOYSA-N 1 0 287.359 3.095 20 10 CGCDRO C[C@]1(C[NH2+][C@@H]2CCc3cccc(O)c32)C[C@H]2C[C@H]2C1 ZINC000858535687 638756670 /nfs/dbraw/zinc/75/66/70/638756670.db2.gz AAKQFOHJLKPKLY-OEUWWYETSA-N 1 0 257.377 3.405 20 10 CGCDRO C[C@]1(C[NH2+][C@H]2CCc3cccc(O)c32)C[C@H]2C[C@H]2C1 ZINC000858535688 638757051 /nfs/dbraw/zinc/75/70/51/638757051.db2.gz AAKQFOHJLKPKLY-QDEZUTFSSA-N 1 0 257.377 3.405 20 10 CGCDRO C/C=C/C[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000858538411 638757522 /nfs/dbraw/zinc/75/75/22/638757522.db2.gz UOTYBPSCGXYIAL-CDAZIORVSA-N 1 0 270.170 3.381 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CO[C@@H](C3CC3)C2)cc1 ZINC000858545326 638758300 /nfs/dbraw/zinc/75/83/00/638758300.db2.gz CKNROCJOPVHRDX-QANKJYHBSA-N 1 0 288.435 3.361 20 10 CGCDRO C[C@H]([NH2+][C@H]1CO[C@H](C2CC2)C1)c1cc(Cl)ccc1O ZINC000858547737 638759171 /nfs/dbraw/zinc/75/91/71/638759171.db2.gz OAZWZLSJYTXLTN-UAKXVISKSA-N 1 0 281.783 3.264 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc[nH]c1=O)c1ccc(C)cc1O ZINC000858563399 638762516 /nfs/dbraw/zinc/76/25/16/638762516.db2.gz PVYRKHOQUQJIMK-CQSZACIVSA-N 1 0 272.348 3.042 20 10 CGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)C3(Cl)CC3)C2)cc1 ZINC000926679999 638797822 /nfs/dbraw/zinc/79/78/22/638797822.db2.gz IZVHYCJAYHKKMH-CHWSQXEVSA-N 1 0 294.826 3.023 20 10 CGCDRO CCC[C@H](O)CC[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000927018860 638832375 /nfs/dbraw/zinc/83/23/75/638832375.db2.gz PLPLXASIGLLIHD-GMXVVIOVSA-N 1 0 281.371 3.220 20 10 CGCDRO CC(C)[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1cnn(C)c1 ZINC000927068445 638837656 /nfs/dbraw/zinc/83/76/56/638837656.db2.gz JEBWRUVUPYLOPN-ZBEGNZNMSA-N 1 0 291.370 3.313 20 10 CGCDRO COC[C@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])C(C)C ZINC000927097309 638841497 /nfs/dbraw/zinc/84/14/97/638841497.db2.gz UFBMXAYOTWFFKS-QWRGUYRKSA-N 1 0 287.350 3.240 20 10 CGCDRO CCC[N@H+](Cc1cnc(CC)o1)Cc1ccccc1O ZINC000929753579 638947183 /nfs/dbraw/zinc/94/71/83/638947183.db2.gz SMRWYRRDJDMVEI-UHFFFAOYSA-N 1 0 274.364 3.355 20 10 CGCDRO CO[C@H]1C[C@@H](C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)C1 ZINC000858592777 638999009 /nfs/dbraw/zinc/99/90/09/638999009.db2.gz LBWUNOIOJKGIKH-KQXIARHKSA-N 1 0 279.355 3.094 20 10 CGCDRO CS[C@H]1CCC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000117393671 639326376 /nfs/dbraw/zinc/32/63/76/639326376.db2.gz VSKOBPRAXZPQNJ-GJZGRUSLSA-N 1 0 277.433 3.385 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2CCS[C@@H](C)[C@@H]2C)cc1C ZINC000118382121 639599325 /nfs/dbraw/zinc/59/93/25/639599325.db2.gz VKFSDYAAPXYQAJ-STQMWFEESA-N 1 0 265.422 3.335 20 10 CGCDRO COc1cccc(C[NH+]2CCc3ccccc3CC2)c1O ZINC000156050095 639962387 /nfs/dbraw/zinc/96/23/87/639962387.db2.gz HAJFTJWMTQONGN-UHFFFAOYSA-N 1 0 283.371 3.002 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCC(C)(C)O2)c1 ZINC000187856834 640101436 /nfs/dbraw/zinc/10/14/36/640101436.db2.gz NOIMCQLJNOPQIV-AAEUAGOBSA-N 1 0 279.380 3.009 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1CCC(C)(C)O1)c1ccc(N(C)C)cc1 ZINC000187845422 640101803 /nfs/dbraw/zinc/10/18/03/640101803.db2.gz JITIRKXGTYXKCF-CZUORRHYSA-N 1 0 276.424 3.361 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1CCC(C)(C)O1)c1ccc(N(C)C)cc1 ZINC000187845368 640101958 /nfs/dbraw/zinc/10/19/58/640101958.db2.gz JITIRKXGTYXKCF-CJNGLKHVSA-N 1 0 276.424 3.361 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCOCC(F)F)cc1 ZINC000188761602 640151945 /nfs/dbraw/zinc/15/19/45/640151945.db2.gz PTDAWTKCXXBZQU-GFCCVEGCSA-N 1 0 286.366 3.075 20 10 CGCDRO COC[C@@H](C)C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000189499354 640195589 /nfs/dbraw/zinc/19/55/89/640195589.db2.gz QHDOMACWLBLGTG-AWEZNQCLSA-N 1 0 289.375 3.270 20 10 CGCDRO COc1ccc(N2CCC(Nc3cc[nH+]cc3C)CC2)cc1 ZINC000191980247 640342636 /nfs/dbraw/zinc/34/26/36/640342636.db2.gz MHZRTQPLSQRVFO-UHFFFAOYSA-N 1 0 297.402 3.480 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](C)C(C)C)c1 ZINC000081046365 640516104 /nfs/dbraw/zinc/51/61/04/640516104.db2.gz LAOMYHZQAVELTJ-NEPJUHHUSA-N 1 0 251.370 3.344 20 10 CGCDRO C[N@H+](Cc1c[nH]nc1-c1ccccc1)Cc1ccccc1O ZINC000091956655 640727102 /nfs/dbraw/zinc/72/71/02/640727102.db2.gz SQEBDFPOVLZNFS-UHFFFAOYSA-N 1 0 293.370 3.414 20 10 CGCDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1ccccc1O ZINC000091956575 640728527 /nfs/dbraw/zinc/72/85/27/640728527.db2.gz KCIOQVHYCRXEJR-RMKNXTFCSA-N 1 0 298.342 3.446 20 10 CGCDRO COc1cccc(C[N@@H+]2C[C@H](C)[C@H]3CCCC[C@H]32)c1O ZINC000248373380 640753949 /nfs/dbraw/zinc/75/39/49/640753949.db2.gz IKNXBNLLDLGTSI-NWANDNLSSA-N 1 0 275.392 3.411 20 10 CGCDRO C[C@@H]([NH2+]C[C@H](C)N1CCC[C@@H](C)C1)c1cc(F)ccc1O ZINC000248480617 640763068 /nfs/dbraw/zinc/76/30/68/640763068.db2.gz ATJLDWJAVZLIGC-HZSPNIEDSA-N 1 0 294.414 3.302 20 10 CGCDRO C[C@H]([NH2+]CC1(O)CCCCCC1)c1cc(F)ccc1O ZINC000094618394 640800074 /nfs/dbraw/zinc/80/00/74/640800074.db2.gz IVNJFGZPYJQOAI-LBPRGKRZSA-N 1 0 281.371 3.267 20 10 CGCDRO CC1(C)C[NH2+]Cc2cc(Nc3ccc(N)cc3)ccc21 ZINC001160286604 806250871 /nfs/dbraw/zinc/25/08/71/806250871.db2.gz OSCJOCCWQVVIBN-UHFFFAOYSA-N 1 0 267.376 3.393 20 10 CGCDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccccc1O ZINC001254536431 806444250 /nfs/dbraw/zinc/44/42/50/806444250.db2.gz OXQFMKHOYLVPMJ-GFCCVEGCSA-N 1 0 286.331 3.021 20 10 CGCDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccccc1O ZINC001254536432 806445049 /nfs/dbraw/zinc/44/50/49/806445049.db2.gz OXQFMKHOYLVPMJ-LBPRGKRZSA-N 1 0 286.331 3.021 20 10 CGCDRO CC(C)Oc1cc[nH+]c(NCc2ccc(N)cc2)c1 ZINC001162785932 806665696 /nfs/dbraw/zinc/66/56/96/806665696.db2.gz QBSAPROXOCCECY-UHFFFAOYSA-N 1 0 257.337 3.063 20 10 CGCDRO CN(C)c1ccc(C[NH2+]Cc2ccc(Cl)o2)cc1 ZINC000037486739 798867479 /nfs/dbraw/zinc/86/74/79/798867479.db2.gz IGNCHUCFDUUJEZ-UHFFFAOYSA-N 1 0 264.756 3.289 20 10 CGCDRO CN1CCCc2cc(C[NH2+]Cc3cccc(F)c3)ccc21 ZINC000050266802 798895121 /nfs/dbraw/zinc/89/51/21/798895121.db2.gz GYJKHHAESXCOIA-UHFFFAOYSA-N 1 0 284.378 3.498 20 10 CGCDRO CC[C@@H](C)[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000076276053 798924583 /nfs/dbraw/zinc/92/45/83/798924583.db2.gz IJVVEIQQFZWMJD-MRVPVSSYSA-N 1 0 288.185 3.051 20 10 CGCDRO COc1ccc(C[NH2+]C[C@H](C)C(C)(C)C)c(O)c1 ZINC000096610165 798972836 /nfs/dbraw/zinc/97/28/36/798972836.db2.gz KSHHQQRPZBZZRG-NSHDSACASA-N 1 0 251.370 3.173 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2ccc3c(c2)CCC3)c1 ZINC000113322641 798984842 /nfs/dbraw/zinc/98/48/42/798984842.db2.gz RQFZDLANDTZCKY-UHFFFAOYSA-N 1 0 267.372 3.479 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CCOC[C@@H]1C ZINC000312220759 799226451 /nfs/dbraw/zinc/22/64/51/799226451.db2.gz BZNFFTXOGHINKT-RFGFWPKPSA-N 1 0 275.392 3.264 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2Cc3ccccc3O2)c1 ZINC000314593329 799234315 /nfs/dbraw/zinc/23/43/15/799234315.db2.gz RDFAXMIBBANKOX-IUODEOHRSA-N 1 0 299.370 3.055 20 10 CGCDRO CCC(CC)[C@@H](C[NH2+][C@@H]1CCc2cccc(O)c21)N(C)C ZINC000315646307 799238502 /nfs/dbraw/zinc/23/85/02/799238502.db2.gz XODSGRWSEISQNZ-HZPDHXFCSA-N 1 0 290.451 3.336 20 10 CGCDRO COC1(CC[NH2+][C@H](C)c2ccc(N(C)C)cc2)CCC1 ZINC000380677923 799365534 /nfs/dbraw/zinc/36/55/34/799365534.db2.gz ZDYBWYZBRVTDLQ-CQSZACIVSA-N 1 0 276.424 3.362 20 10 CGCDRO COC1(CC[NH2+][C@@H](C)c2cc(C)ccc2O)CCC1 ZINC000381927692 799390192 /nfs/dbraw/zinc/39/01/92/799390192.db2.gz WEKIKJXZPPYXJX-ZDUSSCGKSA-N 1 0 263.381 3.310 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCS[C@@H]1C)c1cc(F)ccc1O ZINC000383865267 799410535 /nfs/dbraw/zinc/41/05/35/799410535.db2.gz OQJVRRNMHOYQJO-SBMIAAHKSA-N 1 0 255.358 3.076 20 10 CGCDRO C[C@H]([NH2+][C@H](CO)C1CCCCC1)c1ccc(N(C)C)cc1 ZINC000386338868 799435194 /nfs/dbraw/zinc/43/51/94/799435194.db2.gz LDLKDWMTEFYZBA-KBXCAEBGSA-N 1 0 290.451 3.344 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)[C@H]1CCCOC1 ZINC000388916769 799457949 /nfs/dbraw/zinc/45/79/49/799457949.db2.gz CNZVFQVTROMERQ-WBVHZDCISA-N 1 0 288.435 3.192 20 10 CGCDRO CCOC1(C[NH2+][C@@H](C)c2ccccc2O)CCCC1 ZINC000389174929 799460948 /nfs/dbraw/zinc/46/09/48/799460948.db2.gz JIBFFZKQKSLGHM-ZDUSSCGKSA-N 1 0 263.381 3.392 20 10 CGCDRO CC[C@H](C)[C@@H](C[NH2+][C@H](C)c1cc(C)ccc1O)OC ZINC000394453430 799496840 /nfs/dbraw/zinc/49/68/40/799496840.db2.gz PYNORHKELXKNCJ-WOSRLPQWSA-N 1 0 265.397 3.412 20 10 CGCDRO CC[C@@H](C)[C@H](C[NH2+]Cc1c(O)cccc1Cl)OC ZINC000394480914 799496990 /nfs/dbraw/zinc/49/69/90/799496990.db2.gz LDTLXFDMECOERQ-YGRLFVJLSA-N 1 0 271.788 3.196 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C[C@@H](C)CC(F)(F)F)c1 ZINC000396907240 799511299 /nfs/dbraw/zinc/51/12/99/799511299.db2.gz LGOOJUVDOAMYBA-VIFPVBQESA-N 1 0 277.286 3.079 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CSC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000397883454 799521853 /nfs/dbraw/zinc/52/18/53/799521853.db2.gz AUCAFQVAWOYDLC-SLEUVZQESA-N 1 0 264.438 3.155 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])CS1 ZINC000397892468 799522853 /nfs/dbraw/zinc/52/28/53/799522853.db2.gz PKMJVAIJDPPTMG-PSASIEDQSA-N 1 0 257.786 3.029 20 10 CGCDRO CC[N@H+](Cc1cc(Cl)ccc1O)[C@H]1CCCOC1 ZINC000402771927 799564185 /nfs/dbraw/zinc/56/41/85/799564185.db2.gz UEFDAILOFMSVTL-ZDUSSCGKSA-N 1 0 269.772 3.047 20 10 CGCDRO CCOc1cccc(C[NH+]2CCC(F)(F)CC2)c1O ZINC000404772511 799579640 /nfs/dbraw/zinc/57/96/40/799579640.db2.gz BXJJCGTWXAWCHN-UHFFFAOYSA-N 1 0 271.307 3.022 20 10 CGCDRO CCc1cccc(C[NH2+]C2(CCO)CCCCC2)c1O ZINC000687286094 799738581 /nfs/dbraw/zinc/73/85/81/799738581.db2.gz VGOFSPMXHKMYAP-UHFFFAOYSA-N 1 0 277.408 3.130 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1CCC[C@@H](C)O1)c1ccc(N(C)C)cc1 ZINC000688881012 799756150 /nfs/dbraw/zinc/75/61/50/799756150.db2.gz VIEIIOOEJGIZNC-CPUCHLNUSA-N 1 0 276.424 3.361 20 10 CGCDRO Cc1cnc(CC[NH2+]Cc2cc(Cl)ccc2O)c(C)c1 ZINC000689399211 799763133 /nfs/dbraw/zinc/76/31/33/799763133.db2.gz DHROGGQGUYAUPF-UHFFFAOYSA-N 1 0 290.794 3.390 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1CCN1C(C)(C)C)c1cc(F)ccc1O ZINC000690398177 799775736 /nfs/dbraw/zinc/77/57/36/799775736.db2.gz RWQAPLIJIFFTRF-AAEUAGOBSA-N 1 0 280.387 3.055 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCCSCC1)c1ccccc1O ZINC000692498665 799795883 /nfs/dbraw/zinc/79/58/83/799795883.db2.gz DRGOPUHLQURRDB-NWDGAFQWSA-N 1 0 251.395 3.329 20 10 CGCDRO C[C@@H](C[NH2+][C@H]1CCc2cccc(O)c21)c1ccccn1 ZINC000692679882 799796422 /nfs/dbraw/zinc/79/64/22/799796422.db2.gz MOFHPPCYBNRCTB-WFASDCNBSA-N 1 0 268.360 3.168 20 10 CGCDRO COc1ccc(C[NH2+]C[C@H](C)c2ccccn2)cc1C ZINC000692690174 799796664 /nfs/dbraw/zinc/79/66/64/799796664.db2.gz IOATUACXUFWWPU-AWEZNQCLSA-N 1 0 270.376 3.292 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]Cc1cccc2c1OCC2 ZINC000692915036 799802837 /nfs/dbraw/zinc/80/28/37/799802837.db2.gz PHKINNOCIUFKQL-UHFFFAOYSA-N 1 0 289.762 3.270 20 10 CGCDRO COC[C@H]1CCCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000696612948 799840768 /nfs/dbraw/zinc/84/07/68/799840768.db2.gz ZOZIAFLZJRQOSX-LBPRGKRZSA-N 1 0 283.799 3.294 20 10 CGCDRO COc1cccc(C[NH2+]CC(C)(C)C(C)(F)F)c1O ZINC000696619975 799841730 /nfs/dbraw/zinc/84/17/30/799841730.db2.gz YMEHBUKZUBTVEA-UHFFFAOYSA-N 1 0 273.323 3.172 20 10 CGCDRO C[C@H](C[NH2+][C@@H]1CCc2cccc(O)c21)CC(F)F ZINC000697736048 799848708 /nfs/dbraw/zinc/84/87/08/799848708.db2.gz KOWKJHAKMONEMK-GXSJLCMTSA-N 1 0 255.308 3.260 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC000697966431 799851859 /nfs/dbraw/zinc/85/18/59/799851859.db2.gz PMLLYLDSUAVVQX-RVMXOQNASA-N 1 0 261.365 3.098 20 10 CGCDRO Cc1nc(C)c(CN2CCCc3cc(C[NH3+])ccc32)s1 ZINC000700941329 799882850 /nfs/dbraw/zinc/88/28/50/799882850.db2.gz FHPQSHGTPUGBHL-UHFFFAOYSA-N 1 0 287.432 3.171 20 10 CGCDRO CCC1(C[NH2+]Cc2ccc(Br)cc2O)CC1 ZINC000701045785 799883754 /nfs/dbraw/zinc/88/37/54/799883754.db2.gz UWFRBMWNYKYXAQ-UHFFFAOYSA-N 1 0 284.197 3.435 20 10 CGCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@H](OC(C)C)C2)c1O ZINC000701730525 799893335 /nfs/dbraw/zinc/89/33/35/799893335.db2.gz XFVVAXHEDWYPRQ-ZDUSSCGKSA-N 1 0 299.798 3.054 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC2CC(C)(C)C2)c1 ZINC000701970321 799901233 /nfs/dbraw/zinc/90/12/33/799901233.db2.gz QMYNZFOHKHPYIA-NSHDSACASA-N 1 0 263.381 3.488 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+][C@]2(C)CC2(C)C)c1O ZINC000701970145 799901331 /nfs/dbraw/zinc/90/13/31/799901331.db2.gz VNXRAMPQQTYMRE-CQSZACIVSA-N 1 0 269.772 3.332 20 10 CGCDRO CO[C@@H](C[NH2+][C@@H]1CCc2cccc(O)c21)C1CCCC1 ZINC000703093436 799918955 /nfs/dbraw/zinc/91/89/55/799918955.db2.gz KVMPPAZQLAUAOD-ZBFHGGJFSA-N 1 0 275.392 3.174 20 10 CGCDRO C[N@H+](Cc1c(O)cccc1Br)C(C)(C)C ZINC000707167533 799974919 /nfs/dbraw/zinc/97/49/19/799974919.db2.gz ZSPIAJARIFCNHY-UHFFFAOYSA-N 1 0 272.186 3.385 20 10 CGCDRO CO[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc3ccccc3c2O)C1 ZINC000706526956 799963256 /nfs/dbraw/zinc/96/32/56/799963256.db2.gz JMEPNQSOIPSHJK-UBHSHLNASA-N 1 0 271.360 3.373 20 10 CGCDRO CCCC[NH2+]Cc1c(O)cccc1Br ZINC000706809555 799967719 /nfs/dbraw/zinc/96/77/19/799967719.db2.gz FEAUMASNEYYTRI-UHFFFAOYSA-N 1 0 258.159 3.044 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2C[C@@H](OC)C2)cc1 ZINC000708681068 799992349 /nfs/dbraw/zinc/99/23/49/799992349.db2.gz MRYDTKQYSPVHEF-WOVMCDHWSA-N 1 0 276.424 3.047 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]CCc2ccc(C)o2)c1O ZINC000709740086 800015528 /nfs/dbraw/zinc/01/55/28/800015528.db2.gz LSBVUOFIYBTNGJ-UHFFFAOYSA-N 1 0 295.766 3.288 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](CF)C1 ZINC000711476698 800062698 /nfs/dbraw/zinc/06/26/98/800062698.db2.gz OTLLXWJGOZJMBZ-JTQLQIEISA-N 1 0 257.736 3.227 20 10 CGCDRO CC[C@H]([NH2+][C@H]1C[C@H](OC)C12CCC2)c1ccccc1O ZINC000713480976 800110490 /nfs/dbraw/zinc/11/04/90/800110490.db2.gz OEZJNFJHMCXZBG-BPUTZDHNSA-N 1 0 275.392 3.391 20 10 CGCDRO COC(C)(C)[C@@H](C)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000720246367 800255223 /nfs/dbraw/zinc/25/52/23/800255223.db2.gz FTTZOSVNDWJEJM-CHWSQXEVSA-N 1 0 264.413 3.217 20 10 CGCDRO c1c[nH]c([C@H]2CCCN2Cc2ccc(N3CCCC3)cc2)n1 ZINC001116706943 802398684 /nfs/dbraw/zinc/39/86/84/802398684.db2.gz PIEDCGSJXWDPRQ-QGZVFWFLSA-N 1 0 296.418 3.347 20 10 CGCDRO CCN(C)c1ccc(CN2CC[NH+](C(C)(C)C)CC2)cc1 ZINC001116819464 802415215 /nfs/dbraw/zinc/41/52/15/802415215.db2.gz PNZMBBHZPGHLDE-UHFFFAOYSA-N 1 0 289.467 3.059 20 10 CGCDRO C[C@@]1(CO)CCC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC001117760052 802489762 /nfs/dbraw/zinc/48/97/62/802489762.db2.gz KLYNEUATNNWVDH-GOSISDBHSA-N 1 0 285.387 3.140 20 10 CGCDRO CCCC[C@H](CN)[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2C ZINC001118122706 802526584 /nfs/dbraw/zinc/52/65/84/802526584.db2.gz ZRAYEVUDJZCINT-BFHYXJOUSA-N 1 0 276.424 3.356 20 10 CGCDRO Cc1cc(O)c(C[N@H+](C)Cc2ccns2)cc1C ZINC001119334376 802650357 /nfs/dbraw/zinc/65/03/57/802650357.db2.gz SGMNRCKJUJGVCH-UHFFFAOYSA-N 1 0 262.378 3.098 20 10 CGCDRO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(N)cc1 ZINC001120371328 802742566 /nfs/dbraw/zinc/74/25/66/802742566.db2.gz VVDDQVHHEVSPRS-BXKDBHETSA-N 1 0 258.287 3.042 20 10 CGCDRO Cc1cc(C[N@@H+]2CCCC[C@@H](O)C2)c(C)n1-c1ccccc1 ZINC001137854195 803783785 /nfs/dbraw/zinc/78/37/85/803783785.db2.gz LXOPBMOIQHRYQO-LJQANCHMSA-N 1 0 298.430 3.441 20 10 CGCDRO Fc1ccc2[nH]c(-c3ccc(N4CC[NH2+]CC4)cc3)cc2c1 ZINC001245577995 803830469 /nfs/dbraw/zinc/83/04/69/803830469.db2.gz YONGOAZOXNCRGT-UHFFFAOYSA-N 1 0 295.361 3.384 20 10 CGCDRO CC[N@H+](Cc1c(C)n(C)c2ccccc21)C1CCOCC1 ZINC001138256904 803881162 /nfs/dbraw/zinc/88/11/62/803881162.db2.gz OVEOMCIILUZNSK-UHFFFAOYSA-N 1 0 286.419 3.488 20 10 CGCDRO Cc1c(C[N@@H+]2CC[C@H]3CCCO[C@@H]3C2)c2ccccc2n1C ZINC001138253713 803882460 /nfs/dbraw/zinc/88/24/60/803882460.db2.gz DKTOPCGHHSAZLC-DNVCBOLYSA-N 1 0 298.430 3.488 20 10 CGCDRO Cc1c(C[N@@H+]2CC[C@@]3(C2)CCCOC3)c2ccccc2n1C ZINC001138258362 803883890 /nfs/dbraw/zinc/88/38/90/803883890.db2.gz QYODMPOIWCIFAD-LJQANCHMSA-N 1 0 298.430 3.489 20 10 CGCDRO CN1CCCc2cc(CN3CC[C@@](C)(F)[C@H](F)C3)ccc21 ZINC001138354611 803900865 /nfs/dbraw/zinc/90/08/65/803900865.db2.gz PESJRLXTMKDVSC-IAGOWNOFSA-N 1 0 294.389 3.341 20 10 CGCDRO COc1ccc(F)cc1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001138376940 803909565 /nfs/dbraw/zinc/90/95/65/803909565.db2.gz XTRIPKVPODISDG-UHFFFAOYSA-N 1 0 287.334 3.098 20 10 CGCDRO CCn1nc(C)c(C[N@H+](CC)Cc2ccccc2O)c1C ZINC001138646551 803992032 /nfs/dbraw/zinc/99/20/32/803992032.db2.gz RLXVFVAHPVOLPI-UHFFFAOYSA-N 1 0 287.407 3.248 20 10 CGCDRO CC[N@H+](Cc1cnc2ccccc2n1)Cc1ccccc1O ZINC001138865432 804058988 /nfs/dbraw/zinc/05/89/88/804058988.db2.gz KOXGCNLEWRDQPL-UHFFFAOYSA-N 1 0 293.370 3.358 20 10 CGCDRO Cc1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc(N)cc1)CC2 ZINC001246170554 804186669 /nfs/dbraw/zinc/18/66/69/804186669.db2.gz MYVXFZYZSVSPGF-SFHVURJKSA-N 1 0 266.388 3.224 20 10 CGCDRO CC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC001139673920 804247050 /nfs/dbraw/zinc/24/70/50/804247050.db2.gz NGLDNDSXWHVZFJ-QGZVFWFLSA-N 1 0 274.408 3.005 20 10 CGCDRO Cc1cc(C[N@@H+]2CCC[C@@](C)(O)[C@H](C)C2)ccc1N(C)C ZINC001139669882 804247502 /nfs/dbraw/zinc/24/75/02/804247502.db2.gz QYOHNTGFQFMEOE-CRAIPNDOSA-N 1 0 290.451 3.044 20 10 CGCDRO Cc1cc(C[N@@H+]2CC[C@@H]3CCCO[C@H]3C2)ccc1N(C)C ZINC001139671754 804247773 /nfs/dbraw/zinc/24/77/73/804247773.db2.gz ZHCSILIJDSYIDI-WMZOPIPTSA-N 1 0 288.435 3.062 20 10 CGCDRO Cc1cc(C[N@@H+]2CCC[C@](C)(CO)CC2)ccc1N(C)C ZINC001139669709 804248041 /nfs/dbraw/zinc/24/80/41/804248041.db2.gz IQEPPYDXWCNKPI-SFHVURJKSA-N 1 0 290.451 3.046 20 10 CGCDRO Cc1cc(C[N@@H+]2CCC[C@](C)(O)[C@H](C)C2)ccc1N(C)C ZINC001139669885 804248354 /nfs/dbraw/zinc/24/83/54/804248354.db2.gz QYOHNTGFQFMEOE-QAPCUYQASA-N 1 0 290.451 3.044 20 10 CGCDRO Cc1ccc(C)c(C[NH+]2CCC(C(F)F)CC2)c1O ZINC001140182088 804395770 /nfs/dbraw/zinc/39/57/70/804395770.db2.gz IKVXLKCPALPCJQ-UHFFFAOYSA-N 1 0 269.335 3.486 20 10 CGCDRO COCCC1CC[NH+](Cc2c(C)ccc(C)c2O)CC1 ZINC001140179390 804396258 /nfs/dbraw/zinc/39/62/58/804396258.db2.gz JQEXFCXMLPMZCS-UHFFFAOYSA-N 1 0 277.408 3.258 20 10 CGCDRO CO[C@@H]1CCC[C@@H]2C[N@H+](Cc3c(C)ccc(C)c3O)C[C@@H]21 ZINC001140180526 804396958 /nfs/dbraw/zinc/39/69/58/804396958.db2.gz YLRCRSRHFOAHGI-HYVNUMGLSA-N 1 0 289.419 3.256 20 10 CGCDRO Cc1ccc(C)c(C[N@H+](C)CCc2cccnc2)c1O ZINC001140182700 804397008 /nfs/dbraw/zinc/39/70/08/804397008.db2.gz XRFVRUORCOUDAI-UHFFFAOYSA-N 1 0 270.376 3.079 20 10 CGCDRO OCC[N@H+](Cc1cccs1)Cc1c(O)cccc1Cl ZINC001140344041 804419458 /nfs/dbraw/zinc/41/94/58/804419458.db2.gz FCEUXRQJOPCNGA-UHFFFAOYSA-N 1 0 297.807 3.102 20 10 CGCDRO Oc1cccc(Cl)c1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001140342089 804420066 /nfs/dbraw/zinc/42/00/66/804420066.db2.gz UHWCYRCUGCTSTL-UHFFFAOYSA-N 1 0 289.762 3.310 20 10 CGCDRO CC(C)[N@H+](CCCCCO)Cc1c(O)cccc1Cl ZINC001140342463 804420799 /nfs/dbraw/zinc/42/07/99/804420799.db2.gz KCOJAXZCLBNJRJ-UHFFFAOYSA-N 1 0 285.815 3.419 20 10 CGCDRO Oc1cc(Cl)ccc1C[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC001140461885 804441037 /nfs/dbraw/zinc/44/10/37/804441037.db2.gz WXPFPZJRJJYXQQ-GHMZBOCLSA-N 1 0 251.757 3.278 20 10 CGCDRO CCOCC1CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001140464720 804441251 /nfs/dbraw/zinc/44/12/51/804441251.db2.gz AWZXITDPLPRENQ-UHFFFAOYSA-N 1 0 283.799 3.294 20 10 CGCDRO CCCO[C@H]1CC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140466479 804444075 /nfs/dbraw/zinc/44/40/75/804444075.db2.gz HBDCEZIVGDFZOR-ZDUSSCGKSA-N 1 0 269.772 3.047 20 10 CGCDRO CC[N@H+](Cc1ccccc1O)Cc1cc(C)ccc1O ZINC001140622591 804476999 /nfs/dbraw/zinc/47/69/99/804476999.db2.gz BIGWOYJNDVPJAQ-UHFFFAOYSA-N 1 0 271.360 3.428 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](Oc3ccncc3C)C2)c1 ZINC001140624320 804478049 /nfs/dbraw/zinc/47/80/49/804478049.db2.gz QNRDJIDQDQIZAB-MRXNPFEDSA-N 1 0 298.386 3.057 20 10 CGCDRO COc1ccc(C[N@H+](C)Cc2ccc(O)c(C)c2O)cc1 ZINC001140744296 804502964 /nfs/dbraw/zinc/50/29/64/804502964.db2.gz SLJCHEKRXUCKHI-UHFFFAOYSA-N 1 0 287.359 3.047 20 10 CGCDRO Cc1c(O)ccc(C[N@H+](C)CCc2cccc(F)c2)c1O ZINC001140749627 804505287 /nfs/dbraw/zinc/50/52/87/804505287.db2.gz GWBZEMLNKMDZMY-UHFFFAOYSA-N 1 0 289.350 3.220 20 10 CGCDRO CCN(CC)c1ccc(C[NH+]2CC(C)(C)C2)c(O)c1 ZINC001140850012 804533488 /nfs/dbraw/zinc/53/34/88/804533488.db2.gz ADUYWZOSOAHSJP-UHFFFAOYSA-N 1 0 262.397 3.080 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](F)C2)c(O)c1 ZINC001140855128 804533943 /nfs/dbraw/zinc/53/39/43/804533943.db2.gz OIEBQWKTXLVZTB-CQSZACIVSA-N 1 0 280.387 3.172 20 10 CGCDRO Cc1ccc(C[N@@H+]2CC[C@](CF)(C(F)(F)F)C2)c(O)c1 ZINC001140948136 804556137 /nfs/dbraw/zinc/55/61/37/804556137.db2.gz UYJFCNIVXNTZKZ-CYBMUJFWSA-N 1 0 291.288 3.425 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)c(OC)c1 ZINC001141029173 804575122 /nfs/dbraw/zinc/57/51/22/804575122.db2.gz LEOWCPZCJWFOKC-DOMZBBRYSA-N 1 0 291.391 3.174 20 10 CGCDRO C[C@H]1CC[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141074882 804584569 /nfs/dbraw/zinc/58/45/69/804584569.db2.gz WBTRHDDXHJBXME-AWEZNQCLSA-N 1 0 270.420 3.227 20 10 CGCDRO CCC[N@H+](C)Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141074243 804585962 /nfs/dbraw/zinc/58/59/62/804585962.db2.gz CSSDPQJXFJUPNC-UHFFFAOYSA-N 1 0 258.409 3.227 20 10 CGCDRO Cc1ccc(C[N@@H+](C)Cc2ccc3c(c2)OCCN3C)cc1 ZINC001141142852 804596607 /nfs/dbraw/zinc/59/66/07/804596607.db2.gz CWGCLGHEICIKQU-UHFFFAOYSA-N 1 0 296.414 3.456 20 10 CGCDRO CCC[N@@H+](Cc1ccc2c(c1)OCCN2C)CC(C)C ZINC001141145220 804598461 /nfs/dbraw/zinc/59/84/61/804598461.db2.gz SAMZNRIYVHXLNG-UHFFFAOYSA-N 1 0 276.424 3.383 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2cc(O)ccc2O)Cc2ccccc21 ZINC001141156904 804599511 /nfs/dbraw/zinc/59/95/11/804599511.db2.gz XFFJTDKTPHMTHJ-GFCCVEGCSA-N 1 0 269.344 3.217 20 10 CGCDRO Oc1ccc(O)c(C[NH+]2CCC3(CC[C@H](F)C3)CC2)c1 ZINC001141159271 804599790 /nfs/dbraw/zinc/59/97/90/804599790.db2.gz BRLZSMGPPBZQRG-ZDUSSCGKSA-N 1 0 279.355 3.202 20 10 CGCDRO CC[N@H+](Cc1[nH]cnc1C(C)(C)C)Cc1ccccc1O ZINC001142234922 804705806 /nfs/dbraw/zinc/70/58/06/804705806.db2.gz KHXPCXRSNDHOES-UHFFFAOYSA-N 1 0 287.407 3.435 20 10 CGCDRO C[C@@H]1C[NH+](Cc2cccc(C(C)(C)C)c2O)C[C@@H](C)O1 ZINC001143101218 804800036 /nfs/dbraw/zinc/80/00/36/804800036.db2.gz BKCKQRUWOWMKSP-CHWSQXEVSA-N 1 0 277.408 3.299 20 10 CGCDRO C[C@@H]1CCC[N@H+](Cc2cccc(C(C)(C)C)c2O)[C@H]1CO ZINC001143103531 804802613 /nfs/dbraw/zinc/80/26/13/804802613.db2.gz FISLURWXWAONBZ-CJNGLKHVSA-N 1 0 291.435 3.283 20 10 CGCDRO CC[N@H+](Cc1ncn2ccccc12)Cc1ccccc1O ZINC001144625443 805017547 /nfs/dbraw/zinc/01/75/47/805017547.db2.gz MOFNUJFXFQFBTC-UHFFFAOYSA-N 1 0 281.359 3.062 20 10 CGCDRO CC[NH+](CC)Cc1cc(C)c(Br)cc1O ZINC001250116924 805425947 /nfs/dbraw/zinc/42/59/47/805425947.db2.gz IJWHCNWNFZSFHD-UHFFFAOYSA-N 1 0 272.186 3.305 20 10 CGCDRO CCC[C@@H](C)[NH2+]C1CCN(Cc2ccccc2O)CC1 ZINC001257310323 807099787 /nfs/dbraw/zinc/09/97/87/807099787.db2.gz BAJXSBORYLERBU-CQSZACIVSA-N 1 0 276.424 3.135 20 10 CGCDRO CCC[C@H](C)CC[C@@H](C)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001257465390 807170159 /nfs/dbraw/zinc/17/01/59/807170159.db2.gz DPBBVQWWAFNWDF-OGHNNQOOSA-N 1 0 295.423 3.326 20 10 CGCDRO Oc1ccccc1C[NH2+][C@H]1COc2ccc(Cl)cc2C1 ZINC001257946140 807253169 /nfs/dbraw/zinc/25/31/69/807253169.db2.gz BTIMJPDAJRRQMM-CQSZACIVSA-N 1 0 289.762 3.139 20 10 CGCDRO C[C@H](CC1CC1)[NH2+]C1CCN(Cc2ccccc2O)CC1 ZINC001258455320 807460854 /nfs/dbraw/zinc/46/08/54/807460854.db2.gz YNSYJCYYDXPHBY-CQSZACIVSA-N 1 0 288.435 3.135 20 10 CGCDRO COc1ccc(N2CC[NH+]([C@H]3CCC(C)(C)C3)CC2)cc1 ZINC001258603330 807501336 /nfs/dbraw/zinc/50/13/36/807501336.db2.gz XOTDABZOGITMIK-INIZCTEOSA-N 1 0 288.435 3.396 20 10 CGCDRO CC[C@@H](C)C[C@H](CC)[NH2+]CCc1cc(O)c(O)cc1O ZINC001258780595 807608869 /nfs/dbraw/zinc/60/88/69/807608869.db2.gz PLSZMJCAOHXNNM-YPMHNXCESA-N 1 0 281.396 3.150 20 10 CGCDRO CC(C)C1CCC([NH2+]Cc2cccc(O)c2O)CC1 ZINC001258801413 807622692 /nfs/dbraw/zinc/62/26/92/807622692.db2.gz ZDSBZVGLFAMPHB-UHFFFAOYSA-N 1 0 263.381 3.402 20 10 CGCDRO Nc1ccc(C[NH+]2CCC([C@H](O)c3ccccc3)CC2)cc1 ZINC001262486870 807867536 /nfs/dbraw/zinc/86/75/36/807867536.db2.gz COFMTKKOOVBGKK-LJQANCHMSA-N 1 0 296.414 3.214 20 10 CGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)[C@@H]1CCCOCC1 ZINC001170835449 807921597 /nfs/dbraw/zinc/92/15/97/807921597.db2.gz TYDHSRCGNNQGTD-QGZVFWFLSA-N 1 0 276.424 3.144 20 10 CGCDRO Fc1cccc2c1C[C@@H]([NH2+]Cc1ccc3c(c1)CCO3)CC2 ZINC001170954701 807944604 /nfs/dbraw/zinc/94/46/04/807944604.db2.gz BTBKXMIBORZHDB-INIZCTEOSA-N 1 0 297.373 3.408 20 10 CGCDRO Oc1ccccc1C[NH2+][C@H]1CCc2c(F)cccc2C1 ZINC001171398846 808045730 /nfs/dbraw/zinc/04/57/30/808045730.db2.gz ZYYKBESZKMPPHV-AWEZNQCLSA-N 1 0 271.335 3.178 20 10 CGCDRO CC[C@@H](C)OCC[C@H](C)[NH2+]Cc1ccccc1O ZINC001172315700 808226536 /nfs/dbraw/zinc/22/65/36/808226536.db2.gz CPWZBIWEWADCTH-QWHCGFSZSA-N 1 0 251.370 3.076 20 10 CGCDRO CCOCC[C@@H](C)[NH2+]Cc1cc2ccccc2cc1O ZINC001172418868 808302455 /nfs/dbraw/zinc/30/24/55/808302455.db2.gz HHMMLRMQNWUQDT-CYBMUJFWSA-N 1 0 273.376 3.450 20 10 CGCDRO CCOCC[C@H](C)[N@H+](CC)Cc1ccccc1O ZINC001172434507 808311795 /nfs/dbraw/zinc/31/17/95/808311795.db2.gz XQXOKABRLCDLSM-ZDUSSCGKSA-N 1 0 251.370 3.029 20 10 CGCDRO COc1cccc2c1C[C@H]([NH2+][C@@H](C)c1ccccc1O)CO2 ZINC001173150852 808527136 /nfs/dbraw/zinc/52/71/36/808527136.db2.gz HVZHMAVIHPQASV-STQMWFEESA-N 1 0 299.370 3.055 20 10 CGCDRO C[C@@H](C[NH2+]Cc1cc(F)c(N(C)C)cc1F)C1CC1 ZINC001199732870 811593031 /nfs/dbraw/zinc/59/30/31/811593031.db2.gz UNQAEYHDNLJYKE-JTQLQIEISA-N 1 0 268.351 3.167 20 10 CGCDRO COc1ccc(C[NH2+]CC2(SC)CCOCC2)cc1C ZINC001200751614 811739779 /nfs/dbraw/zinc/73/97/79/811739779.db2.gz PDVRMYFOUVVILR-UHFFFAOYSA-N 1 0 295.448 3.005 20 10 CGCDRO COc1ccc(N2CC[NH+](C[C@@H]3CC=CCC3)CC2)cc1 ZINC001201407436 811832236 /nfs/dbraw/zinc/83/22/36/811832236.db2.gz OVTQBICZYUTYML-MRXNPFEDSA-N 1 0 286.419 3.174 20 10 CGCDRO Cc1cc(C[C@@H](C)[NH2+]Cc2ccc(N3CCCC3)cc2)[nH]n1 ZINC001201441460 811848710 /nfs/dbraw/zinc/84/87/10/811848710.db2.gz BECBYFQYONWVPJ-CQSZACIVSA-N 1 0 298.434 3.039 20 10 CGCDRO COc1cccc(C[N@H+](C)CC/C=C/c2cccnc2)c1O ZINC001203599222 812405047 /nfs/dbraw/zinc/40/50/47/812405047.db2.gz DLGZJDYOAWYUQW-XVNBXDOJSA-N 1 0 298.386 3.331 20 10 CGCDRO CCN(CC[NH+]1CCCCC1)Cc1cc(Cl)ccc1O ZINC001203664284 812422462 /nfs/dbraw/zinc/42/24/62/812422462.db2.gz WACPGHFJSYCCRT-UHFFFAOYSA-N 1 0 296.842 3.353 20 10 CGCDRO CC[N@H+](Cc1cccc(OC)c1)Cc1ccc(O)c(O)c1 ZINC001203880354 812478327 /nfs/dbraw/zinc/47/83/27/812478327.db2.gz OVXNKHXFRMZNAS-UHFFFAOYSA-N 1 0 287.359 3.129 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H]3CCC[C@@H]3C2)cc1 ZINC001203931190 812495088 /nfs/dbraw/zinc/49/50/88/812495088.db2.gz OBNXMZMOWGTRKY-JKSUJKDBSA-N 1 0 258.409 3.375 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@]3(CCO3)C2)cc1 ZINC001203942378 812497877 /nfs/dbraw/zinc/49/78/77/812497877.db2.gz NHJVRPUAEDGAMA-GOSISDBHSA-N 1 0 288.435 3.288 20 10 CGCDRO C[N@H+](Cc1ccc[nH]1)Cc1ccc(N2CCCC2)cc1 ZINC001204010961 812517465 /nfs/dbraw/zinc/51/74/65/812517465.db2.gz YTPWDRZENXNWMA-UHFFFAOYSA-N 1 0 269.392 3.247 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@](C)(CO)C2)c2ccccc21 ZINC001204233648 812580108 /nfs/dbraw/zinc/58/01/08/812580108.db2.gz UDAOTWGVCPDPHQ-LJQANCHMSA-N 1 0 298.430 3.110 20 10 CGCDRO COC[C@@H]1CC[N@@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001204240642 812583008 /nfs/dbraw/zinc/58/30/08/812583008.db2.gz BSSIGDASQXSOBF-HNNXBMFYSA-N 1 0 284.403 3.127 20 10 CGCDRO Oc1ccc(C2CC[NH+](Cc3ccc(O)cc3O)CC2)cc1 ZINC001204280554 812593624 /nfs/dbraw/zinc/59/36/24/812593624.db2.gz KUUMADOJOGPLLY-UHFFFAOYSA-N 1 0 299.370 3.183 20 10 CGCDRO Cc1cccc(CC[N@@H+](C)Cc2ccc(O)cc2O)c1 ZINC001204279395 812593774 /nfs/dbraw/zinc/59/37/74/812593774.db2.gz XPUKPMWQQFDZOE-UHFFFAOYSA-N 1 0 271.360 3.081 20 10 CGCDRO C[C@]1(CF)CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204324499 812612469 /nfs/dbraw/zinc/61/24/69/812612469.db2.gz LXZZPCJNZVZQFP-QGZVFWFLSA-N 1 0 276.399 3.468 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)CCC1=O ZINC001204323410 812612550 /nfs/dbraw/zinc/61/25/50/812612550.db2.gz HRSARUUAQTVKMI-OAHLLOKOSA-N 1 0 286.419 3.088 20 10 CGCDRO c1cnc2c(c1)CC[N@@H+](Cc1ccc(N3CCCC3)cc1)C2 ZINC001204328920 812614603 /nfs/dbraw/zinc/61/46/03/812614603.db2.gz UCMWIADLONUVTB-UHFFFAOYSA-N 1 0 293.414 3.240 20 10 CGCDRO CC[N@H+](Cc1cccc(C(=O)OC)c1)Cc1ccccc1O ZINC001204679177 812707080 /nfs/dbraw/zinc/70/70/80/812707080.db2.gz IWOGWVRJIZICHZ-UHFFFAOYSA-N 1 0 299.370 3.201 20 10 CGCDRO C[C@@]1([NH3+])CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001204939399 812788176 /nfs/dbraw/zinc/78/81/76/812788176.db2.gz RCYKOAXZZCIIQF-CYBMUJFWSA-N 1 0 289.206 3.012 20 10 CGCDRO COc1cc(C)c(C[NH2+][C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)c(O)c1 ZINC001206645754 813386243 /nfs/dbraw/zinc/38/62/43/813386243.db2.gz NLAIECPZSQGMMR-HONMWMINSA-N 1 0 297.345 3.233 20 10 CGCDRO C[N@H+](CCc1cc(F)c(F)cc1F)Cc1ccccc1O ZINC001209253716 813984679 /nfs/dbraw/zinc/98/46/79/813984679.db2.gz VXGVRTJYCDPFMH-UHFFFAOYSA-N 1 0 295.304 3.484 20 10 CGCDRO CO[C@@H]1CC[N@H+](Cc2ccc(-n3c(C)ccc3C)cc2)C1 ZINC001209516874 814071226 /nfs/dbraw/zinc/07/12/26/814071226.db2.gz RJQOSXVALIGLDR-GOSISDBHSA-N 1 0 284.403 3.315 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(CN(C)[C@H]2CC[N@H+](C)C2)cc1 ZINC001209518862 814073456 /nfs/dbraw/zinc/07/34/56/814073456.db2.gz VGCSFIKNYCEIRS-IBGZPJMESA-N 1 0 297.446 3.230 20 10 CGCDRO CC[N@H+](Cc1ccccc1O)Cc1ccccc1N(C)C ZINC001209779956 814138344 /nfs/dbraw/zinc/13/83/44/814138344.db2.gz UMNMPYUMEAESNR-UHFFFAOYSA-N 1 0 284.403 3.480 20 10 CGCDRO CC(C)c1ccc(CN2CC[C@@]3(C2)CCCC[NH2+]3)c(O)c1 ZINC001222436142 816445524 /nfs/dbraw/zinc/44/55/24/816445524.db2.gz VRKQQZIDPOXUHB-GOSISDBHSA-N 1 0 288.435 3.234 20 10 CGCDRO CC(C)N(C)[C@H]1CC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC001231589301 818130472 /nfs/dbraw/zinc/13/04/72/818130472.db2.gz GAHDBZIGJJWIKX-INIZCTEOSA-N 1 0 298.430 3.460 20 10 CGCDRO Cc1cc(C)c(C[N@@H+]2CC[C@H](c3ccncc3)C2)c(O)c1 ZINC001231843795 818186222 /nfs/dbraw/zinc/18/62/22/818186222.db2.gz AUMIKSNUTLPKSY-INIZCTEOSA-N 1 0 282.387 3.394 20 10 CGCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H]2CCC[C@@H]2C1 ZINC001231851373 818188343 /nfs/dbraw/zinc/18/83/43/818188343.db2.gz GJGXRMSQCKIZQI-LSDHHAIUSA-N 1 0 288.435 3.383 20 10 CGCDRO Cc1cnc2c(c1)C[N@@H+](Cc1c(C)cc(C)cc1O)CC2 ZINC001231850947 818188557 /nfs/dbraw/zinc/18/85/57/818188557.db2.gz XJWPUCACOFWTPL-UHFFFAOYSA-N 1 0 282.387 3.271 20 10 CGCDRO Cc1cc(C)c(C[N@@H+]2CC[C@H](COCC3CC3)C2)c(O)c1 ZINC001231849708 818188743 /nfs/dbraw/zinc/18/87/43/818188743.db2.gz USZGDASXIGGPSL-INIZCTEOSA-N 1 0 289.419 3.258 20 10 CGCDRO CCCC[N@H+](CC(=O)OCC)Cc1c(C)cc(C)cc1O ZINC001231849144 818189336 /nfs/dbraw/zinc/18/93/36/818189336.db2.gz OFJDPBDNWNBPOI-UHFFFAOYSA-N 1 0 293.407 3.174 20 10 CGCDRO Cc1cc(O)c(CN2CCc3cnccc3C2)cc1Cl ZINC001231866363 818192503 /nfs/dbraw/zinc/19/25/03/818192503.db2.gz FENXPKREIGIRMX-UHFFFAOYSA-N 1 0 288.778 3.307 20 10 CGCDRO CC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc2ccccc2c1O ZINC001231883384 818201643 /nfs/dbraw/zinc/20/16/43/818201643.db2.gz JINHQMBKODOYHK-INIZCTEOSA-N 1 0 269.344 3.099 20 10 CGCDRO C[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232194498 818274755 /nfs/dbraw/zinc/27/47/55/818274755.db2.gz IQJXTHQOFMNXFJ-ZDUSSCGKSA-N 1 0 294.826 3.018 20 10 CGCDRO COc1cc(O)c(CN2CCC[C@@](C)(F)C2)cc1Cl ZINC001232266924 818297374 /nfs/dbraw/zinc/29/73/74/818297374.db2.gz SRDAYAVPDACOKN-CQSZACIVSA-N 1 0 287.762 3.378 20 10 CGCDRO CSc1cc(C)c(C[N@H+](C)Cc2ccccc2O)cn1 ZINC001232350938 818326136 /nfs/dbraw/zinc/32/61/36/818326136.db2.gz ZXTZWXYOMUJVPE-UHFFFAOYSA-N 1 0 288.416 3.450 20 10 CGCDRO Cc1cccc(F)c1C[N@H+](C)Cc1ccccc1O ZINC001232483059 818367113 /nfs/dbraw/zinc/36/71/13/818367113.db2.gz BFNRUXKIXXSSAA-UHFFFAOYSA-N 1 0 259.324 3.472 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](c3ccccc3)C2)c(O)c1 ZINC001232835081 818452092 /nfs/dbraw/zinc/45/20/92/818452092.db2.gz VDPRLEXHVGLGFL-MRXNPFEDSA-N 1 0 296.414 3.448 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCc3ccccc3C2)c(O)c1 ZINC001232833714 818452571 /nfs/dbraw/zinc/45/25/71/818452571.db2.gz CYOMSXOXZOJEAU-UHFFFAOYSA-N 1 0 282.387 3.017 20 10 CGCDRO Cn1c(-c2ccc(N3CC[NH2+]CC3)cc2)cc2ccccc21 ZINC001243354299 823362979 /nfs/dbraw/zinc/36/29/79/823362979.db2.gz OWARQPDTNGHDSL-UHFFFAOYSA-N 1 0 291.398 3.255 20 10 CGCDRO CC[NH+]1CCN(c2ccc(O[C@@H]3C[C@H]4C[C@H]4C3)cc2)CC1 ZINC001234658320 818908100 /nfs/dbraw/zinc/90/81/00/818908100.db2.gz ZZCIXZAIINZRRT-JLVBRIDZSA-N 1 0 286.419 3.006 20 10 CGCDRO C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1cccc(-c2ccccc2)c1O ZINC001234990634 818970616 /nfs/dbraw/zinc/97/06/16/818970616.db2.gz IUDBAVROMFPKLB-PBHICJAKSA-N 1 0 297.398 3.262 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(CN2CCCC23C[NH2+]C3)cc1 ZINC001235094146 818999934 /nfs/dbraw/zinc/99/99/34/818999934.db2.gz HPERKPRQVIBBIZ-UHFFFAOYSA-N 1 0 295.430 3.032 20 10 CGCDRO C[C@H]1C[N@H+](Cc2ccc(C(C)(C)C)cc2O)CCC[C@@H]1O ZINC001235676361 819136794 /nfs/dbraw/zinc/13/67/94/819136794.db2.gz RDUKAZWFBMGOSM-BBRMVZONSA-N 1 0 291.435 3.283 20 10 CGCDRO COC[C@H]1CC[N@H+](Cc2ccc(C(C)(C)C)cc2O)C1 ZINC001235676057 819136974 /nfs/dbraw/zinc/13/69/74/819136974.db2.gz OWQPTCKQPYIVLI-ZDUSSCGKSA-N 1 0 277.408 3.158 20 10 CGCDRO CC(C)(C)c1ccc(C[N@@H+]2CCC[C@](C)(O)CC2)c(O)c1 ZINC001235676958 819137154 /nfs/dbraw/zinc/13/71/54/819137154.db2.gz YQUXMTVTTCOVOF-SFHVURJKSA-N 1 0 291.435 3.427 20 10 CGCDRO CC(C)(C)c1ccc(C[N@@H+]2CCC[C@@](C)(O)CC2)c(O)c1 ZINC001235676957 819137342 /nfs/dbraw/zinc/13/73/42/819137342.db2.gz YQUXMTVTTCOVOF-GOSISDBHSA-N 1 0 291.435 3.427 20 10 CGCDRO CC(C)(C)c1ccc(C[N@@H+]2CCC[C@](C)(O)C2)c(O)c1 ZINC001235685239 819142764 /nfs/dbraw/zinc/14/27/64/819142764.db2.gz NPYGFZNSMYCZAG-KRWDZBQOSA-N 1 0 277.408 3.037 20 10 CGCDRO C[C@@H]1CC[C@@H]([NH3+])CN1Cc1ccc(C(C)(C)C)cc1O ZINC001235902871 819211654 /nfs/dbraw/zinc/21/16/54/819211654.db2.gz GWCLJASQRNDVBG-IUODEOHRSA-N 1 0 276.424 3.001 20 10 CGCDRO Cc1cc(CN2C[C@@H]3CC[C@@]3([NH3+])C2)c(C)n1-c1ccccc1 ZINC001235977501 819256339 /nfs/dbraw/zinc/25/63/39/819256339.db2.gz GURNGWFCTWPCQL-PKOBYXMFSA-N 1 0 295.430 3.017 20 10 CGCDRO Nc1ccc2c(c1)C[N@@H+](Cc1ccc(Cl)cc1O)CC2 ZINC001236234192 819395699 /nfs/dbraw/zinc/39/56/99/819395699.db2.gz YKEUGJQSUBNDDM-UHFFFAOYSA-N 1 0 288.778 3.186 20 10 CGCDRO Oc1ccc2ccccc2c1CN(C1CC1)[C@H]1CCC[NH2+]C1 ZINC001236242365 819401566 /nfs/dbraw/zinc/40/15/66/819401566.db2.gz WPVPHFVONAHQMC-INIZCTEOSA-N 1 0 296.414 3.262 20 10 CGCDRO C[C@H]1CN(Cc2ccc(N(C)C)c3ccccc23)C[C@H](C)[NH2+]1 ZINC001236423254 819470491 /nfs/dbraw/zinc/47/04/91/819470491.db2.gz ZRNRASDBHOYWOG-GJZGRUSLSA-N 1 0 297.446 3.088 20 10 CGCDRO CCc1ccc(C[N@@H+]2CCc3occc3C2)c(O)c1 ZINC001236791771 819596034 /nfs/dbraw/zinc/59/60/34/819596034.db2.gz KODQYJZUZDUVBV-UHFFFAOYSA-N 1 0 257.333 3.106 20 10 CGCDRO COc1cc(O)c(C[N@H+]2CC[C@H](OC)C[C@H]2C)c(Cl)c1 ZINC001236805407 819602837 /nfs/dbraw/zinc/60/28/37/819602837.db2.gz FSINOCIGESBCTR-MNOVXSKESA-N 1 0 299.798 3.054 20 10 CGCDRO Oc1cc2ccccc2cc1C[N@H+]1C[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1 ZINC001236832626 819611203 /nfs/dbraw/zinc/61/12/03/819611203.db2.gz JIVGQEOPGKISFJ-XHVUQVIVSA-N 1 0 295.382 3.155 20 10 CGCDRO CC[C@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1Cl ZINC001236924056 819636959 /nfs/dbraw/zinc/63/69/59/819636959.db2.gz JYKXJWHCVCKORU-ZDUSSCGKSA-N 1 0 296.842 3.407 20 10 CGCDRO CC(C)c1ccc(C[N@H+]2CC[C@@H](O)[C@@H](C)CC2)c(O)c1 ZINC001237044815 819650311 /nfs/dbraw/zinc/65/03/11/819650311.db2.gz DSMJAPIKXUXXRC-XJKSGUPXSA-N 1 0 277.408 3.108 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2CC[C@]3(CCOC3)C2)c(O)c1 ZINC001237046540 819650590 /nfs/dbraw/zinc/65/05/90/819650590.db2.gz TVPKOORFQVWBOG-KRWDZBQOSA-N 1 0 275.392 3.128 20 10 CGCDRO CCCC[NH+]1CCN(Cc2ccc(C(C)C)cc2O)CC1 ZINC001237054484 819653919 /nfs/dbraw/zinc/65/39/19/819653919.db2.gz ZMTYVWUOQBACMJ-UHFFFAOYSA-N 1 0 290.451 3.433 20 10 CGCDRO CC(C)[N@H+](C)Cc1c(O)cccc1OC(F)(F)F ZINC001237120096 819672005 /nfs/dbraw/zinc/67/20/05/819672005.db2.gz MBAMCTJXEACPLF-UHFFFAOYSA-N 1 0 263.259 3.131 20 10 CGCDRO Oc1ccc(F)c(Cl)c1C[NH+]1C2CCC1CC2 ZINC001237127185 819672922 /nfs/dbraw/zinc/67/29/22/819672922.db2.gz VEXTYZUJNIBNJB-UHFFFAOYSA-N 1 0 255.720 3.312 20 10 CGCDRO C[N@H+](CCc1ccccn1)Cc1c(O)ccc(F)c1Cl ZINC001237122260 819673050 /nfs/dbraw/zinc/67/30/50/819673050.db2.gz SKWXBSXKNZLZGD-UHFFFAOYSA-N 1 0 294.757 3.254 20 10 CGCDRO Oc1ccc(F)c(Cl)c1C[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC001237122839 819673742 /nfs/dbraw/zinc/67/37/42/819673742.db2.gz ZNSFHAZIGQEXOT-YGRLFVJLSA-N 1 0 299.773 3.186 20 10 CGCDRO CC(C)c1ccc(CN2CC(F)(F)CC[C@@H]2C[NH3+])c(O)c1 ZINC001237132159 819675141 /nfs/dbraw/zinc/67/51/41/819675141.db2.gz VMXXADNQDYOBNN-CQSZACIVSA-N 1 0 298.377 3.074 20 10 CGCDRO CO[C@H]1CCC[N@H+](Cc2cc(C(F)(F)F)ccc2O)C1 ZINC001237138801 819677133 /nfs/dbraw/zinc/67/71/33/819677133.db2.gz YXQOXIHXSZINIL-LBPRGKRZSA-N 1 0 289.297 3.022 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@](C)(F)CC1 ZINC001237484563 819761739 /nfs/dbraw/zinc/76/17/39/819761739.db2.gz FYDRHKSBPCLSNH-HNNXBMFYSA-N 1 0 251.345 3.415 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@H]1c1nccs1 ZINC001237486976 819762387 /nfs/dbraw/zinc/76/23/87/819762387.db2.gz FDLMQUKOKAHXKA-CYBMUJFWSA-N 1 0 274.389 3.494 20 10 CGCDRO COc1cc(C[N@H+](C)CC2CCCCC2)c(O)c(OC)c1 ZINC001237678027 819803283 /nfs/dbraw/zinc/80/32/83/819803283.db2.gz JIIQHMFABZIQSO-UHFFFAOYSA-N 1 0 293.407 3.422 20 10 CGCDRO Cc1cc(F)cc(C[N@H+](C)Cc2ccccc2O)c1O ZINC001238069865 819925468 /nfs/dbraw/zinc/92/54/68/819925468.db2.gz KVHUPSUTHSVQDW-UHFFFAOYSA-N 1 0 275.323 3.177 20 10 CGCDRO Cc1cc(N(C)C)cc(C)c1C1=C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001242025511 822288952 /nfs/dbraw/zinc/28/89/52/822288952.db2.gz BTINPMLKLUUZLW-CABCVRRESA-N 1 0 256.393 3.277 20 10 CGCDRO CCc1cccc(C[NH2+]Cc2c(F)cccc2OC)c1O ZINC001335117796 936130361 /nfs/dbraw/zinc/13/03/61/936130361.db2.gz NMHVMEMLPDKMKJ-UHFFFAOYSA-N 1 0 289.350 3.392 20 10 CGCDRO COc1ccccc1[C@H](C)[NH2+]Cc1ccc(N)cc1 ZINC001352790621 937049541 /nfs/dbraw/zinc/04/95/41/937049541.db2.gz SJJGPVNHCUUYDD-LBPRGKRZSA-N 1 0 256.349 3.128 20 10 CGCDRO COc1cc[nH+]c(NCc2c(O)cc(C)cc2Cl)c1 ZINC001474098431 937202942 /nfs/dbraw/zinc/20/29/42/937202942.db2.gz XXQXXIANZGOUTR-UHFFFAOYSA-N 1 0 278.739 3.370 20 10 CGCDRO CC[C@@H]1C[N@H+](Cc2ccc(Cl)cc2O)CCS1 ZINC001461954717 928770063 /nfs/dbraw/zinc/77/00/63/928770063.db2.gz CHZZKSPKBSAYFM-GFCCVEGCSA-N 1 0 271.813 3.373 20 10 CGCDRO COC[C@@H]1CCCC[N@@H+]1Cc1c(C)ccc(C)c1O ZINC001140178495 931956914 /nfs/dbraw/zinc/95/69/14/931956914.db2.gz MQSFXDRGSWFDSO-AWEZNQCLSA-N 1 0 263.381 3.010 20 10 CGCDRO O[C@H](C[NH2+]Cc1ccc2c(c1)CCCO2)C1CCCCC1 ZINC001461137569 937565952 /nfs/dbraw/zinc/56/59/52/937565952.db2.gz FGJWRQXIYSIHEI-QGZVFWFLSA-N 1 0 289.419 3.042 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)C[C@@H]2CCOC2)cc1 ZINC001461331781 937576213 /nfs/dbraw/zinc/57/62/13/937576213.db2.gz JCDHJHSMZQRRRC-RDJZCZTQSA-N 1 0 290.451 3.438 20 10 CGCDRO CCC[C@@H](C)[C@H](CO)[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC001461614768 937588619 /nfs/dbraw/zinc/58/86/19/937588619.db2.gz AAHFQFSFYJTYCD-QAPCUYQASA-N 1 0 292.467 3.420 20 10 CGCDRO COc1ccc(C[NH2+]C[C@H](C)C(C)(C)C)c(O)c1OC ZINC001333807553 932761898 /nfs/dbraw/zinc/76/18/98/932761898.db2.gz KEGKPRWYUOXOAC-NSHDSACASA-N 1 0 281.396 3.181 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+][C@H](C)c2ccn(C)n2)c1 ZINC001462334331 937632961 /nfs/dbraw/zinc/63/29/61/937632961.db2.gz NHZFYSRGNHXXKO-GFCCVEGCSA-N 1 0 273.380 3.100 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2CCO[C@H](C(C)C)C2)cc1C ZINC001308350345 933098337 /nfs/dbraw/zinc/09/83/37/933098337.db2.gz SLDQUBQKPSNCQS-RDJZCZTQSA-N 1 0 277.408 3.297 20 10 CGCDRO CC[C@@H]1C[N@H+](C/C=C/c2ccc(N(C)C)cc2)C[C@@H](C)O1 ZINC001308632434 933146775 /nfs/dbraw/zinc/14/67/75/933146775.db2.gz ZXMYIPPQXYPVFL-YOBDTOFLSA-N 1 0 288.435 3.265 20 10 CGCDRO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(N(C)C)cc1C ZINC001308660496 933152144 /nfs/dbraw/zinc/15/21/44/933152144.db2.gz QBBZMVPCRJPOGP-GDBMZVCRSA-N 1 0 276.424 3.060 20 10 CGCDRO CC[NH+]1CCC(CN2CCCc3cc(OC)ccc32)CC1 ZINC001308675113 933154702 /nfs/dbraw/zinc/15/47/02/933154702.db2.gz UECMZPYYEYSDAC-UHFFFAOYSA-N 1 0 288.435 3.180 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+][C@@H]2CCS[C@H]2C)c1 ZINC001308848265 933188669 /nfs/dbraw/zinc/18/86/69/933188669.db2.gz HHKQCDLGOZWUNG-SMDDNHRTSA-N 1 0 265.422 3.499 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCC[C@H]2N(C)C)c1 ZINC001321022477 934136486 /nfs/dbraw/zinc/13/64/86/934136486.db2.gz GHLCXPBVQQIMBR-CWRNSKLLSA-N 1 0 276.424 3.224 20 10 CGCDRO Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+][C@H]1CCOC1 ZINC001324288940 934482209 /nfs/dbraw/zinc/48/22/09/934482209.db2.gz SLKZGIMOTAGKCR-FUHWJXTLSA-N 1 0 297.398 3.445 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+](Cc2ccccc2)[C@H](C)CO)c1 ZINC001324749091 934562501 /nfs/dbraw/zinc/56/25/01/934562501.db2.gz CIWUQKUHCUCSFO-OAHLLOKOSA-N 1 0 285.387 3.084 20 10 CGCDRO CO[C@@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)C[C@@H]1C ZINC001325127498 934887242 /nfs/dbraw/zinc/88/72/42/934887242.db2.gz HSFHFWRGCRRDFX-MAUKXSAKSA-N 1 0 288.435 3.144 20 10 CGCDRO Cc1cccnc1C[NH2+][C@@H](C)Cc1ccc(N(C)C)cc1C ZINC001325243401 934898109 /nfs/dbraw/zinc/89/81/09/934898109.db2.gz ZKTPSOINURHJPI-INIZCTEOSA-N 1 0 297.446 3.485 20 10 CGCDRO CC[C@H]1C[NH+](Cc2ccc(N(C)C)c(C)c2)C[C@H](CC)O1 ZINC001473565957 937811293 /nfs/dbraw/zinc/81/12/93/937811293.db2.gz VWKKRUUUGKQGPU-IRXDYDNUSA-N 1 0 290.451 3.450 20 10 CGCDRO CC(C)O[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC001325501440 934915249 /nfs/dbraw/zinc/91/52/49/934915249.db2.gz HDPZHRQWGJEFDP-MAEOIBBWSA-N 1 0 288.435 3.332 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C2CCCCC2)cc1)[C@H](C)O ZINC001326584468 934992300 /nfs/dbraw/zinc/99/23/00/934992300.db2.gz NZIGFZTYGRLBKI-CABCVRRESA-N 1 0 290.451 3.314 20 10 CGCDRO CO[C@H](C)[C@@H](C)[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2C ZINC001329958161 935257772 /nfs/dbraw/zinc/25/77/72/935257772.db2.gz WXYHMPMTUSCNNL-UMSGYPCISA-N 1 0 263.381 3.262 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H]2C[C@@H]3[C@H](C2)C3(F)F)cc1C ZINC001330206280 935276378 /nfs/dbraw/zinc/27/63/78/935276378.db2.gz IYWRVMFFZMUHAN-CLLJXQQHSA-N 1 0 267.319 3.142 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@H](CN)CC(C)C ZINC001331837133 935413596 /nfs/dbraw/zinc/41/35/96/935413596.db2.gz ZPIKSSGMBCWJAN-HZSPNIEDSA-N 1 0 276.424 3.212 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](CF)C2)cc1C ZINC001333310779 935524649 /nfs/dbraw/zinc/52/46/49/935524649.db2.gz RJMWFRRKYAPVHN-ZDUSSCGKSA-N 1 0 251.345 3.191 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C1CC2(CC2(F)F)C1 ZINC001334015994 936079246 /nfs/dbraw/zinc/07/92/46/936079246.db2.gz KBRUDSCIMGUQMH-UHFFFAOYSA-N 1 0 280.362 3.338 20 10 CGCDRO CC[N@H+](Cc1ccc(N)cc1)Cc1ccc2c(c1)OCO2 ZINC001334754847 936112107 /nfs/dbraw/zinc/11/21/07/936112107.db2.gz STOCMIMWTXQJLR-UHFFFAOYSA-N 1 0 284.359 3.020 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H]2CCOC23CCCC3)c1O ZINC001335134357 936130770 /nfs/dbraw/zinc/13/07/70/936130770.db2.gz SDENNRGCAFIONU-OAHLLOKOSA-N 1 0 275.392 3.146 20 10 CGCDRO C[N@H+](Cc1ccc(N)cc1)[C@H]1CCCN(c2ccccc2)C1 ZINC001336118000 936176902 /nfs/dbraw/zinc/17/69/02/936176902.db2.gz ULLUJRBFOUAFKV-IBGZPJMESA-N 1 0 295.430 3.370 20 10 CGCDRO CO[C@@H]1C[C@@H]([NH2+]C/C=C/c2ccc(N(C)C)cc2)C1(C)C ZINC001474034958 937837182 /nfs/dbraw/zinc/83/71/82/937837182.db2.gz DQYCVZLRZLCDNL-KGVXHEBISA-N 1 0 288.435 3.169 20 10 CGCDRO CN(C)c1cc(F)c(C[NH2+]CCC2(C)CC2)cc1F ZINC001474136111 937841754 /nfs/dbraw/zinc/84/17/54/937841754.db2.gz UNVDUMFXTKEAMF-UHFFFAOYSA-N 1 0 268.351 3.311 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cccc3n[nH]cc32)c1 ZINC001474195736 937843650 /nfs/dbraw/zinc/84/36/50/937843650.db2.gz CMUBWESFGADFMV-NSHDSACASA-N 1 0 297.358 3.128 20 10 CGCDRO Oc1cc(Cl)ccc1C[NH+]1CCC([C@H]2CCOC2)CC1 ZINC001474390345 937856774 /nfs/dbraw/zinc/85/67/74/937856774.db2.gz CKNQZMWSXNGCQI-AWEZNQCLSA-N 1 0 295.810 3.294 20 10 CGCDRO COc1ccc(C[NH2+]C[C@@]2(C)CCCC[C@H]2O)cc1C ZINC001560369469 938255741 /nfs/dbraw/zinc/25/57/41/938255741.db2.gz YEONGLKSKUDANJ-IAGOWNOFSA-N 1 0 277.408 3.034 20 10 CGCDRO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001560590327 938264231 /nfs/dbraw/zinc/26/42/31/938264231.db2.gz SCPIRRDEODLFGC-UVLXDEKHSA-N 1 0 294.389 3.413 20 10 CGCDRO C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001560590328 938264235 /nfs/dbraw/zinc/26/42/35/938264235.db2.gz SCPIRRDEODLFGC-XWUBHJNHSA-N 1 0 294.389 3.413 20 10 CGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@H]1C[C@H](OC)C12CCC2 ZINC001560809088 938277075 /nfs/dbraw/zinc/27/70/75/938277075.db2.gz YDSYXLGVXXUSFN-IRXDYDNUSA-N 1 0 288.435 3.319 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+]CCCC2(O)CCC2)c1 ZINC001560890500 938282040 /nfs/dbraw/zinc/28/20/40/938282040.db2.gz KCGGZUIVRHSDBA-UHFFFAOYSA-N 1 0 277.408 3.300 20 10 CGCDRO CO[C@](C)([C@H](C)[NH2+]Cc1ccc(Cl)cc1O)C1CC1 ZINC001308821539 958798501 /nfs/dbraw/zinc/79/85/01/958798501.db2.gz SEZOZUCWZQTIOK-ZUZCIYMTSA-N 1 0 283.799 3.339 20 10 CGCDRO CC(C)(C)c1ccc2c(c1)CCCN2C(=O)C1=CC[C@H]([NH3+])C1 ZINC001575274767 962354752 /nfs/dbraw/zinc/35/47/52/962354752.db2.gz COJWVKZZVLWZNQ-INIZCTEOSA-N 1 0 298.430 3.311 20 10 CGCDRO CC(C)(C)c1ccc2c(c1)CCCN2C(=O)C1=CC[C@@H]([NH3+])C1 ZINC001575274771 962356037 /nfs/dbraw/zinc/35/60/37/962356037.db2.gz COJWVKZZVLWZNQ-MRXNPFEDSA-N 1 0 298.430 3.311 20 10 CGCDRO Nc1ccc(C[NH2+][C@H]2CCCN(c3ccccc3F)C2)cc1 ZINC001580445658 962723683 /nfs/dbraw/zinc/72/36/83/962723683.db2.gz NRSPKAXVLMFWST-INIZCTEOSA-N 1 0 299.393 3.167 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccc(F)cn1 ZINC000092743051 345856023 /nfs/dbraw/zinc/85/60/23/345856023.db2.gz NDUPPNCNQFDFPE-NSHDSACASA-N 1 0 291.345 3.277 20 10 CGCDRO CCN(CC)c1ccc(C[NH+]2CCC([C@H](C)O)CC2)cc1 ZINC000092970882 345865767 /nfs/dbraw/zinc/86/57/67/345865767.db2.gz KWISJCHBSYMXSM-HNNXBMFYSA-N 1 0 290.451 3.126 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+](C)[C@H]2CCN(C)[C@H](C)C2)c1O ZINC000180424394 346254510 /nfs/dbraw/zinc/25/45/10/346254510.db2.gz NDMQFPFATKQHCL-DOMZBBRYSA-N 1 0 296.842 3.269 20 10 CGCDRO CCOc1cccc(C[NH2+]Cc2ccc(C)cc2)c1O ZINC000019962458 368791211 /nfs/dbraw/zinc/79/12/11/368791211.db2.gz OZEIPYGJTQOMIA-UHFFFAOYSA-N 1 0 271.360 3.389 20 10 CGCDRO COCc1cccc(C[NH2+]Cc2ccc(OC)c(C)c2)c1 ZINC000038010740 369139625 /nfs/dbraw/zinc/13/96/25/369139625.db2.gz KMPNRRHYLFOWKE-UHFFFAOYSA-N 1 0 285.387 3.440 20 10 CGCDRO Cc1n[nH]cc1CCC[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000050182665 369432212 /nfs/dbraw/zinc/43/22/12/369432212.db2.gz FDVVMRVDGMHFNZ-ZDUSSCGKSA-N 1 0 273.380 3.016 20 10 CGCDRO Cc1ccc(O)c(C[N@H+]2CCS[C@@H](C)[C@@H]2C)c1 ZINC000093501429 370135782 /nfs/dbraw/zinc/13/57/82/370135782.db2.gz JHTQHTICNUOPHV-RYUDHWBXSA-N 1 0 251.395 3.026 20 10 CGCDRO CCc1nc(CC[NH2+]Cc2c(O)cccc2Cl)cs1 ZINC000113333245 370471837 /nfs/dbraw/zinc/47/18/37/370471837.db2.gz WGSZZOOZSRMVCG-UHFFFAOYSA-N 1 0 296.823 3.397 20 10 CGCDRO COc1cccc(C[N@H+](CC(C)C)C(C)C)c1O ZINC000133519695 371257628 /nfs/dbraw/zinc/25/76/28/371257628.db2.gz LQICCORIGQGDCG-UHFFFAOYSA-N 1 0 251.370 3.267 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCOC[C@@H]2C)c(O)c1C ZINC000287342602 371641941 /nfs/dbraw/zinc/64/19/41/371641941.db2.gz GLDJZDNKYBOIIO-AEGPPILISA-N 1 0 277.408 3.332 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCOC[C@H]2C)c(O)c1C ZINC000287342627 371641981 /nfs/dbraw/zinc/64/19/81/371641981.db2.gz GLDJZDNKYBOIIO-VHDGCEQUSA-N 1 0 277.408 3.332 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H]2c3ccccc3O[C@@H]2C)c1O ZINC000288710328 371743104 /nfs/dbraw/zinc/74/31/04/371743104.db2.gz ZDVPOVXPVMMDGR-PXAZEXFGSA-N 1 0 299.370 3.403 20 10 CGCDRO CO[C@](C)(C[NH2+][C@H](C)c1ccc(C)cc1O)C1CC1 ZINC000291296521 372157240 /nfs/dbraw/zinc/15/72/40/372157240.db2.gz SCMXZQVMFXGOCE-MLGOLLRUSA-N 1 0 263.381 3.166 20 10 CGCDRO CC1(C)CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000162711444 372411466 /nfs/dbraw/zinc/41/14/66/372411466.db2.gz DFIXHFOLGZUHID-INIZCTEOSA-N 1 0 288.435 3.192 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C2CC2)c(C(F)(F)F)c1 ZINC000167344760 372594710 /nfs/dbraw/zinc/59/47/10/372594710.db2.gz ANIKKPDXDJRRCI-UHFFFAOYSA-N 1 0 258.287 3.023 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC2CCSCC2)c1 ZINC000168773725 372619597 /nfs/dbraw/zinc/61/95/97/372619597.db2.gz AZNUHTNFFKNPAJ-LLVKDONJSA-N 1 0 281.421 3.195 20 10 CGCDRO CC[C@H](O)CC[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000168826705 372621551 /nfs/dbraw/zinc/62/15/51/372621551.db2.gz MIIRPHZCBCKTAU-OCCSQVGLSA-N 1 0 273.376 3.357 20 10 CGCDRO CC[C@H](CSC)[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000169093784 372624888 /nfs/dbraw/zinc/62/48/88/372624888.db2.gz PBMHMKGMTFWRSN-LLVKDONJSA-N 1 0 289.828 3.285 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CCc3cccc(O)c32)cc1 ZINC000296110930 373025731 /nfs/dbraw/zinc/02/57/31/373025731.db2.gz USXZRUGUHYQEQA-OAHLLOKOSA-N 1 0 269.344 3.178 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H](C)CCCO)cc1 ZINC000296297509 373083573 /nfs/dbraw/zinc/08/35/73/373083573.db2.gz FSQVGSTXHBUPJQ-GJZGRUSLSA-N 1 0 278.440 3.202 20 10 CGCDRO CC[C@@H]([NH2+][C@H](C)CC(C)(C)O)c1ccc(C)cc1O ZINC000296345089 373098048 /nfs/dbraw/zinc/09/80/48/373098048.db2.gz HZTBPNNHNRJQMZ-TZMCWYRMSA-N 1 0 265.397 3.291 20 10 CGCDRO COC[C@H]([NH2+][C@H]1CCc2cccc(O)c21)c1ccc(C)o1 ZINC000297516786 373274341 /nfs/dbraw/zinc/27/43/41/373274341.db2.gz CWORKZVUKVTSSJ-KBPBESRZSA-N 1 0 287.359 3.258 20 10 CGCDRO CCCN(Cc1cc(F)ncc1F)c1ccc(C[NH3+])cc1 ZINC000297033245 373254863 /nfs/dbraw/zinc/25/48/63/373254863.db2.gz XNYIKYALBKSRPV-UHFFFAOYSA-N 1 0 291.345 3.235 20 10 CGCDRO CCc1noc(CC)c1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297778734 373281086 /nfs/dbraw/zinc/28/10/86/373281086.db2.gz PMLFIESFCYCJAC-CQSZACIVSA-N 1 0 286.375 3.282 20 10 CGCDRO COc1ccc(N2CCC(Nc3cc[nH+]c(C)c3)CC2)cc1 ZINC000302217658 373830351 /nfs/dbraw/zinc/83/03/51/373830351.db2.gz JWBKVWBITCZNLA-UHFFFAOYSA-N 1 0 297.402 3.480 20 10 CGCDRO COc1ccc(O)c(C[N@H+](C)[C@H](C)c2ccco2)c1 ZINC000179682693 373905347 /nfs/dbraw/zinc/90/53/47/373905347.db2.gz QBVSCGOIBNVWJY-LLVKDONJSA-N 1 0 261.321 3.187 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)cc1OC ZINC000179852038 373927834 /nfs/dbraw/zinc/92/78/34/373927834.db2.gz IYSCPUPPUIWIAO-OCCSQVGLSA-N 1 0 291.391 3.174 20 10 CGCDRO CC[N@H+](Cc1ccccn1)Cc1cccc(C)c1O ZINC000180200037 373976400 /nfs/dbraw/zinc/97/64/00/373976400.db2.gz IYNGXEJKMUTVLZ-UHFFFAOYSA-N 1 0 256.349 3.118 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc([C@H](C)O)cc1)c1ccccc1O ZINC000183442671 374414461 /nfs/dbraw/zinc/41/44/61/374414461.db2.gz HIRGVTDEVBFTHI-OLZOCXBDSA-N 1 0 271.360 3.296 20 10 CGCDRO C[C@@H](O)c1ccc(C[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000183442692 374414841 /nfs/dbraw/zinc/41/48/41/374414841.db2.gz HIRGVTDEVBFTHI-CHWSQXEVSA-N 1 0 271.360 3.296 20 10 CGCDRO COCCC1(C[NH2+][C@H](C)c2ccccc2O)CCC1 ZINC000183561664 374428398 /nfs/dbraw/zinc/42/83/98/374428398.db2.gz KSTVMBMMUYJAKQ-CYBMUJFWSA-N 1 0 263.381 3.250 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCC[C@H]2OCC[C@@H]21)c1ccccc1O ZINC000183563512 374428495 /nfs/dbraw/zinc/42/84/95/374428495.db2.gz AJDGLFQDKHDILT-ZGMNHVEMSA-N 1 0 261.365 3.000 20 10 CGCDRO Cc1cc(O)c(C[N@H+](C)CCc2ccncc2)cc1C ZINC000183753818 374452212 /nfs/dbraw/zinc/45/22/12/374452212.db2.gz RBQWWMXZPBNDRF-UHFFFAOYSA-N 1 0 270.376 3.079 20 10 CGCDRO CSCCCCC[NH2+]Cc1cc(F)ccc1O ZINC000187673094 375067232 /nfs/dbraw/zinc/06/72/32/375067232.db2.gz IVHYBTAPMBHARE-UHFFFAOYSA-N 1 0 257.374 3.154 20 10 CGCDRO CSCCCCC[NH2+]Cc1cccc(C)c1O ZINC000187673315 375069232 /nfs/dbraw/zinc/06/92/32/375069232.db2.gz KWLNCSPADTYGKI-UHFFFAOYSA-N 1 0 253.411 3.324 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCC[C@@H]1CCO)c1ccc(N(C)C)cc1 ZINC000187998411 375134768 /nfs/dbraw/zinc/13/47/68/375134768.db2.gz YVJOYYLSAHWFOQ-FHLIZLRMSA-N 1 0 290.451 3.344 20 10 CGCDRO CCOCc1cc(C[NH2+]CC=C(C)C)ccc1OC ZINC000191625511 375645316 /nfs/dbraw/zinc/64/53/16/375645316.db2.gz WZTQPWDARSPDRN-UHFFFAOYSA-N 1 0 263.381 3.288 20 10 CGCDRO CO[C@H](C)[C@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000191639627 375645587 /nfs/dbraw/zinc/64/55/87/375645587.db2.gz YKNQRFZRIZNLFQ-LPEHRKFASA-N 1 0 257.761 3.120 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)OCO2)c1ccc(N(C)C)cc1 ZINC000192936682 375806970 /nfs/dbraw/zinc/80/69/70/375806970.db2.gz NEJCLGAAXNGDHI-CYBMUJFWSA-N 1 0 298.386 3.332 20 10 CGCDRO C[C@@H](O)C[N@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000192772898 375788086 /nfs/dbraw/zinc/78/80/86/375788086.db2.gz JTUPAVJKOIFPKH-CABCVRRESA-N 1 0 285.387 3.336 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)[C@@H]2C[C@H]2C2CC2)c1 ZINC000529569049 375928195 /nfs/dbraw/zinc/92/81/95/375928195.db2.gz JAAYDJHKTPCJPF-VAECKANCSA-N 1 0 275.392 3.486 20 10 CGCDRO C[C@H]([NH2+][C@H]1C[C@@H](O)C1(C)C)c1ccc2ccccc2c1O ZINC000228847689 376451063 /nfs/dbraw/zinc/45/10/63/376451063.db2.gz YFNIJCNUTGHFQK-KNXALSJPSA-N 1 0 285.387 3.355 20 10 CGCDRO COc1cccc(C[NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)c1O ZINC000270624008 378377386 /nfs/dbraw/zinc/37/73/86/378377386.db2.gz GEBBXHHYPGHTHK-DZGCQCFKSA-N 1 0 293.407 3.084 20 10 CGCDRO COc1cccc(C[NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)c1O ZINC000270624020 378377732 /nfs/dbraw/zinc/37/77/32/378377732.db2.gz GEBBXHHYPGHTHK-ZFWWWQNUSA-N 1 0 293.407 3.084 20 10 CGCDRO CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)CCO1 ZINC000270700474 378390383 /nfs/dbraw/zinc/39/03/83/378390383.db2.gz YADJOXJXCNMASN-RDJZCZTQSA-N 1 0 289.419 3.305 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](C)c2cn[nH]c2)cc1 ZINC000271422170 378491352 /nfs/dbraw/zinc/49/13/52/378491352.db2.gz BZXOWGLFUBRPHI-OLZOCXBDSA-N 1 0 272.396 3.278 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCO[C@@H](C(C)C)C2)cc1C ZINC000271498663 378495115 /nfs/dbraw/zinc/49/51/15/378495115.db2.gz KFVITIMFLPEOHI-DOTOQJQBSA-N 1 0 277.408 3.302 20 10 CGCDRO Cc1cc(C[NH2+][C@@H](C)c2cccnc2)ccc1N(C)C ZINC000271511617 378495824 /nfs/dbraw/zinc/49/58/24/378495824.db2.gz ORBGQDJHMFFYQS-AWEZNQCLSA-N 1 0 269.392 3.307 20 10 CGCDRO COc1ccc(O)c(C[N@H+](C)Cc2cccs2)c1 ZINC000271719254 378500214 /nfs/dbraw/zinc/50/02/14/378500214.db2.gz CUAMEGVZHIHWAW-UHFFFAOYSA-N 1 0 263.362 3.094 20 10 CGCDRO Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2C[C@@H](C)O)c1O ZINC000271792109 378504220 /nfs/dbraw/zinc/50/42/20/378504220.db2.gz JGVLSZGDHKXUFD-BXUZGUMPSA-N 1 0 283.799 3.089 20 10 CGCDRO Cc1cc(Cl)cc(C[N@H+]2CCC[C@H]2C[C@H](C)O)c1O ZINC000271792110 378504350 /nfs/dbraw/zinc/50/43/50/378504350.db2.gz JGVLSZGDHKXUFD-FZMZJTMJSA-N 1 0 283.799 3.089 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+][C@@H]2CCCSC2)c1O ZINC000271822993 378508141 /nfs/dbraw/zinc/50/81/41/378508141.db2.gz NEKANXUIXQVOIP-GFCCVEGCSA-N 1 0 271.813 3.339 20 10 CGCDRO CCOCCC[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000273443684 378745437 /nfs/dbraw/zinc/74/54/37/378745437.db2.gz ZEOUMSLPIMPDCP-CYBMUJFWSA-N 1 0 251.370 3.086 20 10 CGCDRO CS[C@H](C)C[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000273511636 378749806 /nfs/dbraw/zinc/74/98/06/378749806.db2.gz RUTOCSIFQVKVRK-ZYHUDNBSSA-N 1 0 253.411 3.411 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)CCCO)c(O)c1C ZINC000273498505 378750361 /nfs/dbraw/zinc/75/03/61/378750361.db2.gz PTROAFNGRTUJDS-CQSZACIVSA-N 1 0 279.424 3.458 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2COC3(CCCC3)O2)c1 ZINC000273539490 378753026 /nfs/dbraw/zinc/75/30/26/378753026.db2.gz XYSFHKKTFYCJAZ-KBPBESRZSA-N 1 0 291.391 3.037 20 10 CGCDRO CCC1(C[NH2+][C@@H](C)c2cc(F)ccc2O)CCOCC1 ZINC000273596454 378755609 /nfs/dbraw/zinc/75/56/09/378755609.db2.gz QVFSHWBWWNDCNO-LBPRGKRZSA-N 1 0 281.371 3.389 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc2ccccc2c1O)c1nncn1C ZINC000273598057 378755631 /nfs/dbraw/zinc/75/56/31/378755631.db2.gz RCQSLIVYBHOYOI-NWDGAFQWSA-N 1 0 296.374 3.086 20 10 CGCDRO CCC1(C[NH2+][C@H](C)c2cc(OC)ccc2O)CCOCC1 ZINC000273598605 378755789 /nfs/dbraw/zinc/75/57/89/378755789.db2.gz RHZZLURQRZHICL-CYBMUJFWSA-N 1 0 293.407 3.258 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCOCC2CC2)c(O)c1C ZINC000273598727 378756562 /nfs/dbraw/zinc/75/65/62/378756562.db2.gz RMMSUZPZOFSQJQ-CYBMUJFWSA-N 1 0 263.381 3.086 20 10 CGCDRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1cc(C)ccc1O)CCO2 ZINC000274265728 378800459 /nfs/dbraw/zinc/80/04/59/378800459.db2.gz PEFFPEVKXBGKGF-INIZCTEOSA-N 1 0 299.370 3.323 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](CCO)C(C)(C)C)c(O)c1C ZINC000273755448 378759056 /nfs/dbraw/zinc/75/90/56/378759056.db2.gz PGFBLWMXTPZSKE-ZFWWWQNUSA-N 1 0 279.424 3.457 20 10 CGCDRO CC[C@H]([NH2+][C@@H](CO)CC1CCC1)c1ccc(C)cc1O ZINC000281201516 379823601 /nfs/dbraw/zinc/82/36/01/379823601.db2.gz SCDXEDSXMOGTKQ-ZBFHGGJFSA-N 1 0 277.408 3.292 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCCc2nn(C)cc21)c1ccccc1O ZINC000282441073 379918998 /nfs/dbraw/zinc/91/89/98/379918998.db2.gz NBLHDWIIKUDGDS-LSDHHAIUSA-N 1 0 285.391 3.244 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]C[C@@H]1CC[C@@H]3C[C@@H]3C1)CC2 ZINC000403779283 379976745 /nfs/dbraw/zinc/97/67/45/379976745.db2.gz XGGIBPKMFBAEDW-REBRKWNGSA-N 1 0 257.377 3.405 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]CC[S@@](=O)C(C)(C)C)c(O)c1 ZINC000284252852 380136821 /nfs/dbraw/zinc/13/68/21/380136821.db2.gz VUBZAEXDZZLIKT-RNODOKPDSA-N 1 0 297.464 3.207 20 10 CGCDRO COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H](C)c2c(C)cc(C)cc2O)C1 ZINC000285032179 380142471 /nfs/dbraw/zinc/14/24/71/380142471.db2.gz HUNDZVABYULIEK-MELADBBJSA-N 1 0 291.391 3.001 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CCO[C@H](C)C2)c(O)c1 ZINC000285098775 380145400 /nfs/dbraw/zinc/14/54/00/380145400.db2.gz KEBXUFYBEOQNFB-QLFBSQMISA-N 1 0 277.408 3.475 20 10 CGCDRO Cc1nn(C)c(C)c1C[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000283867118 380099901 /nfs/dbraw/zinc/09/99/01/380099901.db2.gz BSXMGURJGSJLTD-ZDUSSCGKSA-N 1 0 287.407 3.210 20 10 CGCDRO Cc1cc(C[NH2+]Cc2ccc(N3CCCCC3)cc2)n(C)n1 ZINC000284133685 380128767 /nfs/dbraw/zinc/12/87/67/380128767.db2.gz YGARSPVIZMOZMS-UHFFFAOYSA-N 1 0 298.434 3.009 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCc2ccccn2)c(O)c1 ZINC000284130992 380128926 /nfs/dbraw/zinc/12/89/26/380128926.db2.gz OHALRGRCEZQWTA-CQSZACIVSA-N 1 0 270.376 3.297 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1cc(Cl)ccc1O ZINC000363866772 382259179 /nfs/dbraw/zinc/25/91/79/382259179.db2.gz PGGUNZRGEGBLEW-ZANVPECISA-N 1 0 291.782 3.497 20 10 CGCDRO CN(Cc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000364296578 382269054 /nfs/dbraw/zinc/26/90/54/382269054.db2.gz CPBMMFVZDYLWFS-GOSISDBHSA-N 1 0 296.414 3.099 20 10 CGCDRO COCc1cccc(C[NH2+][C@H](C)c2ccccc2O)c1 ZINC000038010585 391982075 /nfs/dbraw/zinc/98/20/75/391982075.db2.gz DZOKEVUKCMMYSX-CYBMUJFWSA-N 1 0 271.360 3.389 20 10 CGCDRO CCOC[C@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000093418838 392236845 /nfs/dbraw/zinc/23/68/45/392236845.db2.gz SBEHPBHCFZNVDA-INIZCTEOSA-N 1 0 276.424 3.001 20 10 CGCDRO CCOC[C@H]1CCC[N@H+](Cc2cccc(OCC)c2O)C1 ZINC000093419138 392238016 /nfs/dbraw/zinc/23/80/16/392238016.db2.gz AUMGDHXKBXQFKG-AWEZNQCLSA-N 1 0 293.407 3.039 20 10 CGCDRO CCSCC[C@H](C)[N@H+](C)Cc1cccc(OC)c1O ZINC000093871003 392240641 /nfs/dbraw/zinc/24/06/41/392240641.db2.gz IJJGUQGIYFIKIF-LBPRGKRZSA-N 1 0 283.437 3.364 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCCOC1)c1ccc2ccccc2c1O ZINC000109543538 392365726 /nfs/dbraw/zinc/36/57/26/392365726.db2.gz UHOPRBXSUYQVEZ-TZMCWYRMSA-N 1 0 271.360 3.375 20 10 CGCDRO Cc1cccc(C[NH2+][C@H](C)Cc2cccs2)c1O ZINC000124689890 392435532 /nfs/dbraw/zinc/43/55/32/392435532.db2.gz GGILTKVTOYGYBZ-GFCCVEGCSA-N 1 0 261.390 3.483 20 10 CGCDRO C[N@H+](CCc1ccccc1F)Cc1ccccc1O ZINC000132894769 392462223 /nfs/dbraw/zinc/46/22/23/392462223.db2.gz AUEJTIKCNKEILK-UHFFFAOYSA-N 1 0 259.324 3.206 20 10 CGCDRO CCN(CC)c1ccc(CN(C)Cc2cc(C)on2)cc1 ZINC000177999923 392670529 /nfs/dbraw/zinc/67/05/29/392670529.db2.gz GFFALBFQFFEUIP-UHFFFAOYSA-N 1 0 287.407 3.461 20 10 CGCDRO Oc1ccc2ccccc2c1C[NH+]1CCC2(CCO2)CC1 ZINC000374494649 392679538 /nfs/dbraw/zinc/67/95/38/392679538.db2.gz FBFDVCKKQZAUFZ-UHFFFAOYSA-N 1 0 283.371 3.300 20 10 CGCDRO C[C@@H]([NH2+]CC(C)(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000178678804 392684390 /nfs/dbraw/zinc/68/43/90/392684390.db2.gz ODFCQYPRMXXQLV-CYBMUJFWSA-N 1 0 294.414 3.359 20 10 CGCDRO CSC1(C[NH2+]Cc2cc(C)ccc2O)CCC1 ZINC000193642511 392883147 /nfs/dbraw/zinc/88/31/47/392883147.db2.gz LCGGGPHSNBGDQT-UHFFFAOYSA-N 1 0 251.395 3.076 20 10 CGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@@H]1CCCSC1 ZINC000194977962 392948826 /nfs/dbraw/zinc/94/88/26/392948826.db2.gz ONCVBAXHTKVFHM-OAHLLOKOSA-N 1 0 264.438 3.257 20 10 CGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC=C(C)C2)c1O ZINC000281904790 393367623 /nfs/dbraw/zinc/36/76/23/393367623.db2.gz XOVRCMPXVBFLNX-UHFFFAOYSA-N 1 0 267.756 3.206 20 10 CGCDRO COCCC[C@@H](C)[NH2+]Cc1c(C)c2ccccc2n1C ZINC000358988065 393531724 /nfs/dbraw/zinc/53/17/24/393531724.db2.gz PQAKZGNCYMOAEF-CYBMUJFWSA-N 1 0 274.408 3.391 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCc3cnn(C(C)C)c3C2)c1 ZINC000365135972 292164908 /nfs/dbraw/zinc/16/49/08/292164908.db2.gz NDTRSFHJGCQFGT-MRXNPFEDSA-N 1 0 299.418 3.125 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H](C)CCC(C)C)c1 ZINC000020122992 171003297 /nfs/dbraw/zinc/00/32/97/171003297.db2.gz LWARFYNVDLTGFA-LBPRGKRZSA-N 1 0 251.370 3.315 20 10 CGCDRO COc1ccc(O)c(C[NH2+]CCCc2ccccc2)c1 ZINC000020122774 171003475 /nfs/dbraw/zinc/00/34/75/171003475.db2.gz KBJGKKQIZSSKNR-UHFFFAOYSA-N 1 0 271.360 3.123 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCc3ccccc3C2)cc1 ZINC000034992651 171919508 /nfs/dbraw/zinc/91/95/08/171919508.db2.gz RTQNNOVNNKPIAC-GOSISDBHSA-N 1 0 280.415 3.400 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](C)N2CCCCC2)c1 ZINC000038028881 174018825 /nfs/dbraw/zinc/01/88/25/174018825.db2.gz NQFSYHYIZSSUHH-GJZGRUSLSA-N 1 0 276.424 3.226 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](CC(C)C)CN(C)C)c1 ZINC000037167031 260072233 /nfs/dbraw/zinc/07/22/33/260072233.db2.gz RFCWZLORMDXSTN-KGLIPLIRSA-N 1 0 294.439 3.028 20 10 CGCDRO Cc1noc(C)c1C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000092328635 260269207 /nfs/dbraw/zinc/26/92/07/260269207.db2.gz HRWBPAIOWZVVFK-NSHDSACASA-N 1 0 273.380 3.208 20 10 CGCDRO CC[C@H]([NH2+]CCc1csc(C)n1)c1ccccc1O ZINC000223814765 260370834 /nfs/dbraw/zinc/37/08/34/260370834.db2.gz HKGQRGUCQAEMBL-AWEZNQCLSA-N 1 0 276.405 3.441 20 10 CGCDRO CC[C@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000152164838 261060833 /nfs/dbraw/zinc/06/08/33/261060833.db2.gz UQVRUJYZBHJSTE-QWHCGFSZSA-N 1 0 280.387 3.111 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)Cc2cccc(O)c2)cc1 ZINC000155194197 261099435 /nfs/dbraw/zinc/09/94/35/261099435.db2.gz HDXJEIZOZGBNTL-UHFFFAOYSA-N 1 0 270.376 3.090 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H](O)C1CCCCC1)c1ccccc1O ZINC000155602813 261104571 /nfs/dbraw/zinc/10/45/71/261104571.db2.gz ILSBVWNDSRRAFG-NVXWUHKLSA-N 1 0 277.408 3.374 20 10 CGCDRO CC[C@@H]([NH2+]C[C@](C)(O)c1ccsc1)c1ccccc1O ZINC000155977961 261110513 /nfs/dbraw/zinc/11/05/13/261110513.db2.gz LCRXWORIPSLCSA-ZBFHGGJFSA-N 1 0 291.416 3.402 20 10 CGCDRO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)C[C@@H]1CCCO1 ZINC000161387953 261246066 /nfs/dbraw/zinc/24/60/66/261246066.db2.gz KXGOSUXELUIBIV-SFHVURJKSA-N 1 0 288.435 3.288 20 10 CGCDRO COCCC(C)(C)C[NH2+][C@H](C)c1ccccc1O ZINC000183944475 262001176 /nfs/dbraw/zinc/00/11/76/262001176.db2.gz UJYNCXYZLRQIOI-GFCCVEGCSA-N 1 0 251.370 3.106 20 10 CGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2C)c1O ZINC000184691836 262026176 /nfs/dbraw/zinc/02/61/76/262026176.db2.gz HKTKBNVINSJIKK-SECBINFHSA-N 1 0 255.745 3.039 20 10 CGCDRO C[C@H]([NH2+]CCC[NH+](C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000184843035 262031037 /nfs/dbraw/zinc/03/10/37/262031037.db2.gz ZNZMPDSVFLPAIA-VIFPVBQESA-N 1 0 291.222 3.301 20 10 CGCDRO C[C@H]([NH2+]CCc1cccnc1)c1cc(Cl)ccc1O ZINC000184980310 262035708 /nfs/dbraw/zinc/03/57/08/262035708.db2.gz ZKXZVPORUGOWSD-NSHDSACASA-N 1 0 276.767 3.334 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCC(=O)Nc2ccccc2)c1 ZINC000185443375 262054129 /nfs/dbraw/zinc/05/41/29/262054129.db2.gz ZCWSWOIXWAJGLI-AWEZNQCLSA-N 1 0 298.386 3.380 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccccc2C)c(O)c1 ZINC000185435505 262054250 /nfs/dbraw/zinc/05/42/50/262054250.db2.gz QPPXZKPMSHRCNQ-KDOFPFPSSA-N 1 0 285.387 3.393 20 10 CGCDRO CC[C@@H](COC)[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000185503858 262057105 /nfs/dbraw/zinc/05/71/05/262057105.db2.gz UASHGQBVIOYBOX-KOLCDFICSA-N 1 0 257.761 3.121 20 10 CGCDRO C[C@@H]([NH2+]CCCC(C)(C)CO)c1cc(Cl)ccc1O ZINC000185537227 262059357 /nfs/dbraw/zinc/05/93/57/262059357.db2.gz NCQPZQISALAQBO-LLVKDONJSA-N 1 0 285.815 3.495 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](CCO)CC(C)C)c1 ZINC000185614692 262062160 /nfs/dbraw/zinc/06/21/60/262062160.db2.gz IWMIAXAOQCMQRN-GJZGRUSLSA-N 1 0 279.424 3.396 20 10 CGCDRO CO[C@H](C[NH2+][C@H](C)c1cc(C)ccc1O)C(C)(C)C ZINC000185617530 262062326 /nfs/dbraw/zinc/06/23/26/262062326.db2.gz XALRBNFRKRUQFE-IUODEOHRSA-N 1 0 265.397 3.412 20 10 CGCDRO Cc1cc(C[C@H](C)[NH2+][C@H](C)c2ccc(C)cc2O)[nH]n1 ZINC000186131316 262080639 /nfs/dbraw/zinc/08/06/39/262080639.db2.gz MWYSUFZOIISSQF-WCQYABFASA-N 1 0 273.380 3.014 20 10 CGCDRO CC[C@@H]([NH2+][C@H](C)c1cn(C)nc1C)c1ccccc1O ZINC000186173726 262083054 /nfs/dbraw/zinc/08/30/54/262083054.db2.gz ZHRVQMVWGJMYGT-IAQYHMDHSA-N 1 0 273.380 3.236 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CC(C)(C)OC2(C)C)c1 ZINC000186499842 262095697 /nfs/dbraw/zinc/09/56/97/262095697.db2.gz LAKHBRYXLFUUHW-IAQYHMDHSA-N 1 0 293.407 3.398 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1CCCN1C)c1ccc2ccccc2c1O ZINC000185142093 262303093 /nfs/dbraw/zinc/30/30/93/262303093.db2.gz XTIAGWVGASWRGY-ZFWWWQNUSA-N 1 0 284.403 3.290 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)C[C@@H](C)O)c(O)c1 ZINC000186075540 262311766 /nfs/dbraw/zinc/31/17/66/262311766.db2.gz WAZYQPSXIDJIJM-CHWSQXEVSA-N 1 0 265.397 3.148 20 10 CGCDRO C[C@@H]([NH2+]C[C@H](C)c1nccs1)c1ccc(F)cc1[O-] ZINC000186727442 262322397 /nfs/dbraw/zinc/32/23/97/262322397.db2.gz QOKTWETXUHNHHE-VHSXEESVSA-N 1 0 280.368 3.442 20 10 CGCDRO C[C@H]([NH2+]Cc1ccccc1O)c1ccc2c(c1)CCC(=O)N2 ZINC000299551545 263246858 /nfs/dbraw/zinc/24/68/58/263246858.db2.gz LBSBOMQHURTCOI-LBPRGKRZSA-N 1 0 296.370 3.128 20 10 CGCDRO CCC([NH2+]Cc1cccc(OC)c1O)(C1CC1)C1CC1 ZINC000527765166 270135047 /nfs/dbraw/zinc/13/50/47/270135047.db2.gz PRBKZXUWQUVUNC-UHFFFAOYSA-N 1 0 275.392 3.459 20 10 CGCDRO Oc1ccccc1C[NH+]1CCC(c2ccncc2)CC1 ZINC000289797225 275061590 /nfs/dbraw/zinc/06/15/90/275061590.db2.gz MMJGSIQNCZGDQE-UHFFFAOYSA-N 1 0 268.360 3.167 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2c3ccccc3O[C@@H]2C)c1 ZINC000288434474 280920143 /nfs/dbraw/zinc/92/01/43/280920143.db2.gz BVFJDIZGTYJFHF-PXAZEXFGSA-N 1 0 269.344 3.312 20 10 CGCDRO CC(C)c1nnc([C@@H](C)[NH2+][C@H](C)c2ccccc2O)[nH]1 ZINC000272852028 328200871 /nfs/dbraw/zinc/20/08/71/328200871.db2.gz LHHCGPXMAAPTHD-GHMZBOCLSA-N 1 0 274.368 3.046 20 10 CGCDRO COCC[C@H]([NH2+][C@H](C)c1ccccc1O)c1ccco1 ZINC000272862811 328201081 /nfs/dbraw/zinc/20/10/81/328201081.db2.gz NDJBPUAEYJSGRQ-OCCSQVGLSA-N 1 0 275.348 3.414 20 10 CGCDRO Cc1cccc([C@H](O)C[NH2+]Cc2c(O)cccc2Cl)c1 ZINC000136474657 327518745 /nfs/dbraw/zinc/51/87/45/327518745.db2.gz CELHMGYFADAPQX-MRXNPFEDSA-N 1 0 291.778 3.177 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CN(C)Cc2ccccc21)c1ccccc1O ZINC000360000149 329069445 /nfs/dbraw/zinc/06/94/45/329069445.db2.gz QPOGQESGMWWKLL-SUMWQHHRSA-N 1 0 282.387 3.230 20 10 CGCDRO CCOc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1O)CCO2 ZINC000178420862 329199870 /nfs/dbraw/zinc/19/98/70/329199870.db2.gz YYHHFQBXBCIBPM-MRXNPFEDSA-N 1 0 299.370 3.404 20 10 CGCDRO CC(C)OCCCC[NH2+][C@@H](C)c1ccccc1O ZINC000180453732 329217199 /nfs/dbraw/zinc/21/71/99/329217199.db2.gz FGNFEPGJPMIURS-ZDUSSCGKSA-N 1 0 251.370 3.248 20 10 CGCDRO COc1ccc(N2CCC([NH2+]CC(C)(C)C)CC2)cc1 ZINC000066992267 329850367 /nfs/dbraw/zinc/85/03/67/329850367.db2.gz KLVZGQZYIYTCFT-UHFFFAOYSA-N 1 0 276.424 3.300 20 10 CGCDRO CC(C)O[C@@]1(C)C[C@H]1[NH2+]Cc1c(O)cccc1Cl ZINC000527799750 330284188 /nfs/dbraw/zinc/28/41/88/330284188.db2.gz MLCDSERNHJSUCC-KGLIPLIRSA-N 1 0 269.772 3.091 20 10 CGCDRO CCOc1cc(C[NH2+]Cc2ccccc2O)ccc1OC ZINC000134237306 334085177 /nfs/dbraw/zinc/08/51/77/334085177.db2.gz UEICOPDQGQJMSS-UHFFFAOYSA-N 1 0 287.359 3.089 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H](C)Cn2cccn2)cc1 ZINC000271474134 520290361 /nfs/dbraw/zinc/29/03/61/520290361.db2.gz MHEPNCHOMNKTNK-CABCVRRESA-N 1 0 286.423 3.079 20 10 CGCDRO CCOc1cccc(C[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000037679639 521369214 /nfs/dbraw/zinc/36/92/14/521369214.db2.gz KWZXLYOLGPNPBO-UHFFFAOYSA-N 1 0 283.371 3.310 20 10 CGCDRO CCC[N@H+](Cc1c[nH]c2nccnc12)Cc1ccccc1O ZINC000290503571 521680651 /nfs/dbraw/zinc/68/06/51/521680651.db2.gz SRGVKMFNOFXYJO-UHFFFAOYSA-N 1 0 296.374 3.076 20 10 CGCDRO CCC[N@H+](Cc1cc(C)on1)Cc1ccccc1O ZINC000069009883 521680886 /nfs/dbraw/zinc/68/08/86/521680886.db2.gz IVWSVGFXVBITQU-UHFFFAOYSA-N 1 0 260.337 3.101 20 10 CGCDRO COc1cc(CC[NH2+]Cc2ccccc2O)ccc1Cl ZINC000293499474 522336400 /nfs/dbraw/zinc/33/64/00/522336400.db2.gz UGIAZRWZMBHLNM-UHFFFAOYSA-N 1 0 291.778 3.387 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H]1CCSC1)c1ccccc1O ZINC000228552449 522619621 /nfs/dbraw/zinc/61/96/21/522619621.db2.gz OTEFXIMLIJBJNO-AAEUAGOBSA-N 1 0 251.395 3.186 20 10 CGCDRO C[N@H+](CCC1CCOCC1)Cc1c(O)cccc1Cl ZINC000129666404 522719460 /nfs/dbraw/zinc/71/94/60/522719460.db2.gz IBZHLQZEIWHWRY-UHFFFAOYSA-N 1 0 283.799 3.294 20 10 CGCDRO CCc1noc(C)c1C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000293723969 522844664 /nfs/dbraw/zinc/84/46/64/522844664.db2.gz NWJVUQHUMKSPKY-VIFPVBQESA-N 1 0 278.327 3.241 20 10 CGCDRO CCn1cc([C@H](C)[NH2+][C@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000274777266 523475130 /nfs/dbraw/zinc/47/51/30/523475130.db2.gz OIIZWLLSCWQJHE-KGLIPLIRSA-N 1 0 286.423 3.381 20 10 CGCDRO COc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2O)cc1 ZINC000094616634 524089562 /nfs/dbraw/zinc/08/95/62/524089562.db2.gz PRAUZTIGCIWXMG-LLVKDONJSA-N 1 0 275.323 3.391 20 10 CGCDRO Cc1cccc(C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)c1O ZINC000278403403 524402926 /nfs/dbraw/zinc/40/29/26/524402926.db2.gz OPBHKOCKLOZQQW-NSHDSACASA-N 1 0 273.298 3.475 20 10 CGCDRO Cc1cccc(C[NH2+]CC(C)(C)c2ccccn2)c1O ZINC000294766599 524429498 /nfs/dbraw/zinc/42/94/98/524429498.db2.gz JQMWDXKZTAPGAE-UHFFFAOYSA-N 1 0 270.376 3.163 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCOC3(CCC3)C2)c1 ZINC000273463364 524774720 /nfs/dbraw/zinc/77/47/20/524774720.db2.gz INPZDFKNFUMJPX-STQMWFEESA-N 1 0 291.391 3.153 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+][C@@H]2CCOC(C)(C)C2)c1O ZINC000127239244 524871922 /nfs/dbraw/zinc/87/19/22/524871922.db2.gz CSHYIVDGVUHQCQ-CYBMUJFWSA-N 1 0 283.799 3.401 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2CCCC[C@@H]2C[C@H](C)O)cc1C ZINC000280450830 525317002 /nfs/dbraw/zinc/31/70/02/525317002.db2.gz LHZBVLZQTRRYSH-GOEBONIOSA-N 1 0 277.408 3.134 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CC2(CO)CC3(CCC3)C2)c1 ZINC000278773999 525362714 /nfs/dbraw/zinc/36/27/14/525362714.db2.gz LIIJRZBJWBBDHM-AWEZNQCLSA-N 1 0 289.419 3.294 20 10 CGCDRO C[C@@H]([NH2+][C@H](CO)C1CCCC1)c1cc(Cl)ccc1O ZINC000290079905 525667058 /nfs/dbraw/zinc/66/70/58/525667058.db2.gz GQTFLQOQTFUUDS-QMTHXVAHSA-N 1 0 283.799 3.247 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCCOCC2CC2)c(O)c1 ZINC000020191248 525725047 /nfs/dbraw/zinc/72/50/47/525725047.db2.gz JNKFMGYPBIORAI-CYBMUJFWSA-N 1 0 263.381 3.168 20 10 CGCDRO COc1cccc(C[N@@H+]2CC(C)(C)[C@@H]2c2cccnc2)c1O ZINC000366541867 525931463 /nfs/dbraw/zinc/93/14/63/525931463.db2.gz AMPBXGPTBFQULT-KRWDZBQOSA-N 1 0 298.386 3.379 20 10 CGCDRO Oc1ccc(F)cc1C[N@@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000290953946 526346370 /nfs/dbraw/zinc/34/63/70/526346370.db2.gz QXDNEJTWJUDTCK-CVEARBPZSA-N 1 0 291.366 3.065 20 10 CGCDRO Oc1ccc2ccccc2c1C[N@@H+]1CCOC2(CCC2)C1 ZINC000129813497 526356746 /nfs/dbraw/zinc/35/67/46/526356746.db2.gz JGHBBBALXQJTOG-UHFFFAOYSA-N 1 0 283.371 3.300 20 10 CGCDRO Oc1cccc(Cl)c1C[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000275943577 526363214 /nfs/dbraw/zinc/36/32/14/526363214.db2.gz IOCZXIRGAQDDAJ-MRXNPFEDSA-N 1 0 295.810 3.437 20 10 CGCDRO COc1cccc(C[NH2+][C@H]2CCC[C@H](C3CC3)C2)c1O ZINC000742376978 572352086 /nfs/dbraw/zinc/35/20/86/572352086.db2.gz JPPVWJSODBEVLW-ZFWWWQNUSA-N 1 0 275.392 3.459 20 10 CGCDRO COc1cccc(O)c1C[NH2+]Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000725847287 572439623 /nfs/dbraw/zinc/43/96/23/572439623.db2.gz YMKYLSHFYOWSOU-YPMHNXCESA-N 1 0 287.359 3.407 20 10 CGCDRO COc1ccc(C[NH2+]C[C@@](C)(O)c2ccccc2)cc1C ZINC000732919700 572491419 /nfs/dbraw/zinc/49/14/19/572491419.db2.gz REQJKQVCNSCGKF-GOSISDBHSA-N 1 0 285.387 3.001 20 10 CGCDRO C[C@@H]1CCC[C@@H](C)[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000742155991 572556443 /nfs/dbraw/zinc/55/64/43/572556443.db2.gz VBXBTDUUDKSOQT-VXGBXAGGSA-N 1 0 277.364 3.131 20 10 CGCDRO COc1ccc(C[NH2+][C@H](CO)c2ccccc2C)cc1C ZINC000747100578 572560117 /nfs/dbraw/zinc/56/01/17/572560117.db2.gz MCWVDFPNUIWOAB-QGZVFWFLSA-N 1 0 285.387 3.135 20 10 CGCDRO C[C@H]1CC[C@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)C1 ZINC000742369062 572568826 /nfs/dbraw/zinc/56/88/26/572568826.db2.gz VNDCTIJZGXLNHQ-AAEUAGOBSA-N 1 0 250.361 3.170 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccc[nH]c2=O)cc1 ZINC000858563024 617626445 /nfs/dbraw/zinc/62/64/45/617626445.db2.gz PNXFKUSENQNASD-CYBMUJFWSA-N 1 0 285.391 3.094 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1CCC(C)(C)O1)c1cc(F)ccc1O ZINC000187853062 617771063 /nfs/dbraw/zinc/77/10/63/617771063.db2.gz WZOXFWDHUDYZCA-PWSUYJOCSA-N 1 0 267.344 3.140 20 10 CGCDRO COC[C@H]([NH2+]Cc1cc(Cl)ccc1O)c1ccc(C)o1 ZINC000177568558 617933393 /nfs/dbraw/zinc/93/33/93/617933393.db2.gz GZMYFQSREDQGGQ-ZDUSSCGKSA-N 1 0 295.766 3.424 20 10 CGCDRO COCC[N@H+](Cc1ccccc1)Cc1cc(C)ccc1O ZINC000160450306 618046613 /nfs/dbraw/zinc/04/66/13/618046613.db2.gz HYRIMMFGGRTUFX-UHFFFAOYSA-N 1 0 285.387 3.349 20 10 CGCDRO CC[C@@H]1CCCC[N@@H+]1Cc1ccc(OC)c(OC)c1O ZINC000891443591 618212380 /nfs/dbraw/zinc/21/23/80/618212380.db2.gz JGQVHFUTVSLYTP-CYBMUJFWSA-N 1 0 279.380 3.174 20 10 CGCDRO CCC[N@@H+](Cc1ccc(OC)c(OC)c1O)CC(C)C ZINC000891652896 618244178 /nfs/dbraw/zinc/24/41/78/618244178.db2.gz GSTYULZPRHCIEQ-UHFFFAOYSA-N 1 0 281.396 3.277 20 10 CGCDRO COc1ccc(C[N@@H+]2CCC[C@@H]2C2CCC2)c(O)c1OC ZINC000891870242 618349935 /nfs/dbraw/zinc/34/99/35/618349935.db2.gz QFGJIFMBNURGQO-CQSZACIVSA-N 1 0 291.391 3.174 20 10 CGCDRO CCC(C)(C)OCC[NH2+]Cc1c(O)cccc1Cl ZINC000308751079 618394182 /nfs/dbraw/zinc/39/41/82/618394182.db2.gz UOUPBEPYAXBWFR-UHFFFAOYSA-N 1 0 271.788 3.340 20 10 CGCDRO CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1ccc(OC)c(OC)c1O ZINC000892068816 618516425 /nfs/dbraw/zinc/51/64/25/618516425.db2.gz UFPGCKWWPASBAK-YPMHNXCESA-N 1 0 279.380 3.030 20 10 CGCDRO CCCC(O)(CCC)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000119711816 618551058 /nfs/dbraw/zinc/55/10/58/618551058.db2.gz BVFGBXQPCJIDTK-UHFFFAOYSA-N 1 0 278.440 3.174 20 10 CGCDRO Cc1cccc(C[NH2+]CC[C@@](C)(O)c2ccccc2)c1O ZINC000190273878 618684300 /nfs/dbraw/zinc/68/43/00/618684300.db2.gz NXWBBYCMLGJSGU-GOSISDBHSA-N 1 0 285.387 3.088 20 10 CGCDRO C[C@@H]1C[C@H](C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)[C@H](C)O1 ZINC000840871099 618732203 /nfs/dbraw/zinc/73/22/03/618732203.db2.gz BLVFLKCZXGMCRA-YGEZULPYSA-N 1 0 293.382 3.483 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCN2CCC[C@H](C)C2)c(O)c1 ZINC000185028399 625290467 /nfs/dbraw/zinc/29/04/67/625290467.db2.gz XXORKFCMWGJZHH-LSDHHAIUSA-N 1 0 276.424 3.083 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]CCCSc2nccs2)[C@@H]1C ZINC000309771815 618768841 /nfs/dbraw/zinc/76/88/41/618768841.db2.gz KRCOUCJCLWTOFF-GMTAPVOTSA-N 1 0 256.440 3.259 20 10 CGCDRO COc1ccc(C[NH2+]CC2CCCCC2)c(O)c1OC ZINC000892426334 618774320 /nfs/dbraw/zinc/77/43/20/618774320.db2.gz GVEFHGHXYIKREE-UHFFFAOYSA-N 1 0 279.380 3.079 20 10 CGCDRO CO[C@@]1(C)C[C@H]([N@H+](C)Cc2ccccc2O)C1(C)C ZINC000179584966 618795971 /nfs/dbraw/zinc/79/59/71/618795971.db2.gz VYNSKRFNWRMCRQ-HOCLYGCPSA-N 1 0 263.381 3.028 20 10 CGCDRO CCOc1cccc(C[NH2+]CC2(C)CCCC2)c1O ZINC000066594361 618858562 /nfs/dbraw/zinc/85/85/62/618858562.db2.gz UQZQSOLOAWSCCU-UHFFFAOYSA-N 1 0 263.381 3.461 20 10 CGCDRO Oc1ccc(Br)cc1C[NH2+]Cc1ccoc1 ZINC000163757123 618890857 /nfs/dbraw/zinc/89/08/57/618890857.db2.gz QTONHILUYFBEGS-UHFFFAOYSA-N 1 0 282.137 3.038 20 10 CGCDRO CC(C)[C@@](C)(O)C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000304059223 618898330 /nfs/dbraw/zinc/89/83/30/618898330.db2.gz NUOIDANXDWWMOC-SFHVURJKSA-N 1 0 290.451 3.174 20 10 CGCDRO OCCCC1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000783598870 618913778 /nfs/dbraw/zinc/91/37/78/618913778.db2.gz CLNAUNGOWBIYAT-UHFFFAOYSA-N 1 0 283.799 3.030 20 10 CGCDRO C[C@H]([NH2+]Cc1cc(Br)ccc1O)C1(C)CC1 ZINC000309762977 618951688 /nfs/dbraw/zinc/95/16/88/618951688.db2.gz JCCSRFZLRKWILY-VIFPVBQESA-N 1 0 284.197 3.433 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCC[C@H](CO)C2)cc1 ZINC000314094175 618958460 /nfs/dbraw/zinc/95/84/60/618958460.db2.gz CTRDGSCGTGTXPL-DLBZAZTESA-N 1 0 290.451 3.174 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCC[C@@H](CO)C2)cc1 ZINC000314095708 618959201 /nfs/dbraw/zinc/95/92/01/618959201.db2.gz CTRDGSCGTGTXPL-IAGOWNOFSA-N 1 0 290.451 3.174 20 10 CGCDRO Cc1cc(F)ncc1C[NH2+]CCCSc1nccs1 ZINC000893044081 618983833 /nfs/dbraw/zinc/98/38/33/618983833.db2.gz CYNYKPWOQNBNHS-UHFFFAOYSA-N 1 0 297.424 3.258 20 10 CGCDRO CCCC1(C[NH2+]Cc2ccc(OC)c(OC)c2O)CC1 ZINC000893126246 619000998 /nfs/dbraw/zinc/00/09/98/619000998.db2.gz VUAFSHALPRFZIK-UHFFFAOYSA-N 1 0 279.380 3.079 20 10 CGCDRO Cc1nc(C)c(C[NH2+][C@@H]2CCc3cccc(O)c32)s1 ZINC000312083088 619024109 /nfs/dbraw/zinc/02/41/09/619024109.db2.gz MOBVAOVFVLKNCI-GFCCVEGCSA-N 1 0 274.389 3.243 20 10 CGCDRO Cn1cc(CC[NH2+]Cc2ccccc2O)c2ccc(F)cc21 ZINC000185747300 619065028 /nfs/dbraw/zinc/06/50/28/619065028.db2.gz FVSAHCFMYMGGSA-UHFFFAOYSA-N 1 0 298.361 3.355 20 10 CGCDRO CCOC1(C[NH2+][C@H]2CCc3cccc(O)c32)CCCC1 ZINC000312336494 619065351 /nfs/dbraw/zinc/06/53/51/619065351.db2.gz LWTILSMSYNZHLH-AWEZNQCLSA-N 1 0 275.392 3.318 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2CCSCC[C@H]2C)cc1C ZINC000189916912 619096404 /nfs/dbraw/zinc/09/64/04/619096404.db2.gz WLGGFZPSHYYOMU-CYBMUJFWSA-N 1 0 265.422 3.336 20 10 CGCDRO COc1ccc(C[N@H+](C)C[C@@H]2CC=CCC2)c(O)c1OC ZINC000893522383 619202647 /nfs/dbraw/zinc/20/26/47/619202647.db2.gz SKGYEXZTGSEJAO-CYBMUJFWSA-N 1 0 291.391 3.198 20 10 CGCDRO CC[C@H]([NH2+]C[C@H]1COc2ccccc2O1)c1ccccc1O ZINC000314397300 619226339 /nfs/dbraw/zinc/22/63/39/619226339.db2.gz UAYSTOILUVCMKK-ZFWWWQNUSA-N 1 0 299.370 3.273 20 10 CGCDRO CC[N@H+](CCC1CC1)Cc1ccc(OC)c(OC)c1O ZINC000893588608 619229584 /nfs/dbraw/zinc/22/95/84/619229584.db2.gz ABEUGIDMICBKGA-UHFFFAOYSA-N 1 0 279.380 3.031 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@]1(C)CCO[C@@H]1C1CC1 ZINC000840939842 619231106 /nfs/dbraw/zinc/23/11/06/619231106.db2.gz RPZKGSGBZBQXJJ-MSOLQXFVSA-N 1 0 288.435 3.108 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CC2CC(F)(F)C2)c(Cl)c1 ZINC000840947769 619249222 /nfs/dbraw/zinc/24/92/22/619249222.db2.gz LRMICICTJVLSMW-UHFFFAOYSA-N 1 0 275.726 3.489 20 10 CGCDRO CC[C@H]([NH2+]Cc1cc(F)ccc1O)c1nccs1 ZINC000226610972 619276944 /nfs/dbraw/zinc/27/69/44/619276944.db2.gz KKTRSDUSZFCFQF-NSHDSACASA-N 1 0 266.341 3.229 20 10 CGCDRO CCOc1ccc(C[NH2+][C@@H](C)[C@@](C)(OC)C2CC2)c(O)c1 ZINC000840960787 619279553 /nfs/dbraw/zinc/27/95/53/619279553.db2.gz MRXJYGBNZPLQGC-YVEFUNNKSA-N 1 0 293.407 3.084 20 10 CGCDRO C[C@@H]1C[C@H](C[NH2+]Cc2ccc3ccccc3c2O)[C@H](C)O1 ZINC000840962736 619282365 /nfs/dbraw/zinc/28/23/65/619282365.db2.gz FABRLUXTQBMDIA-DVOMOZLQSA-N 1 0 285.387 3.449 20 10 CGCDRO Cc1cccc(O)c1C[NH+]1CC(C)(CC(F)F)C1 ZINC000877605844 619412105 /nfs/dbraw/zinc/41/21/05/619412105.db2.gz WYKMIRCETKNVSV-UHFFFAOYSA-N 1 0 255.308 3.178 20 10 CGCDRO COc1cc(C)cc(C[NH2+]Cc2sccc2C)c1O ZINC000894207999 619419830 /nfs/dbraw/zinc/41/98/30/619419830.db2.gz CKIZDKQBIKYBLK-UHFFFAOYSA-N 1 0 277.389 3.369 20 10 CGCDRO CCO[C@@H](CC[NH2+]Cc1cc(C)cc(OC)c1O)C(C)C ZINC000894327172 619493205 /nfs/dbraw/zinc/49/32/05/619493205.db2.gz UEZGPJRODQCKSM-HNNXBMFYSA-N 1 0 295.423 3.250 20 10 CGCDRO COc1cc(C)cc(C[NH2+]CCC[C@H]2CCCCO2)c1O ZINC000894468014 619546568 /nfs/dbraw/zinc/54/65/68/619546568.db2.gz JYOUINXASVPFRK-OAHLLOKOSA-N 1 0 293.407 3.148 20 10 CGCDRO COc1ccc(C[N@@H+]2CC(C)(C)[C@H]2C2CC2)c(O)c1OC ZINC000894543608 619569719 /nfs/dbraw/zinc/56/97/19/619569719.db2.gz BVAKVSWDMKUGCR-MRXNPFEDSA-N 1 0 291.391 3.030 20 10 CGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@@H]1CCc2cccnc21 ZINC000894569890 619578517 /nfs/dbraw/zinc/57/85/17/619578517.db2.gz NMHRTSFBCOCBML-QGZVFWFLSA-N 1 0 281.403 3.444 20 10 CGCDRO COCC1(C[NH2+]Cc2cc(C)cc(OC)c2O)CCCC1 ZINC000894939803 619686659 /nfs/dbraw/zinc/68/66/59/619686659.db2.gz JPYKMQCPQBFRBN-UHFFFAOYSA-N 1 0 293.407 3.006 20 10 CGCDRO COc1cc(C)cc(C[NH+]2CC(CC(F)(F)F)C2)c1O ZINC000894975466 619690844 /nfs/dbraw/zinc/69/08/44/619690844.db2.gz AHYNWCPIYVKBTN-UHFFFAOYSA-N 1 0 289.297 3.093 20 10 CGCDRO CCC1CCC([NH2+]Cc2cccc(OC)c2O)CC1 ZINC000049117136 619700529 /nfs/dbraw/zinc/70/05/29/619700529.db2.gz BRNOGYZTABLEBF-UHFFFAOYSA-N 1 0 263.381 3.459 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H](C)Cc2ccsc2)c1 ZINC000049155857 619704694 /nfs/dbraw/zinc/70/46/94/619704694.db2.gz FFEQUQGWJJLJOM-NSHDSACASA-N 1 0 277.389 3.183 20 10 CGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCC23CC3)c(O)c1OC ZINC000895668961 619868752 /nfs/dbraw/zinc/86/87/52/619868752.db2.gz ROPVQNMWFCZRHC-ZDUSSCGKSA-N 1 0 291.391 3.079 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000895841582 619892347 /nfs/dbraw/zinc/89/23/47/619892347.db2.gz CXODFKSGUABEOI-WMZOPIPTSA-N 1 0 288.435 3.062 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000896226715 619970346 /nfs/dbraw/zinc/97/03/46/619970346.db2.gz HZZCQRYIGHVXQH-GFCCVEGCSA-N 1 0 289.272 3.259 20 10 CGCDRO Oc1c(C[NH2+][C@@H]2CCO[C@H]2C2CC2)ccc2ccccc21 ZINC000896408837 620002662 /nfs/dbraw/zinc/00/26/62/620002662.db2.gz AYNNOUGBCSFJPE-AEFFLSMTSA-N 1 0 283.371 3.203 20 10 CGCDRO CCc1cccc(C[NH2+][C@H](CO)CCc2ccccc2)c1O ZINC000896518049 620020917 /nfs/dbraw/zinc/02/09/17/620020917.db2.gz KLVLGEPIHWVUJC-SFHVURJKSA-N 1 0 299.414 3.038 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@@H]2CCCc3cccnc32)c1O ZINC000897070687 620134929 /nfs/dbraw/zinc/13/49/29/620134929.db2.gz LREHDGSIDOUUBQ-OAHLLOKOSA-N 1 0 298.386 3.271 20 10 CGCDRO CCc1noc(CC)c1C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000185678870 625412758 /nfs/dbraw/zinc/41/27/58/625412758.db2.gz IYPCIRUFSWKICV-SNVBAGLBSA-N 1 0 292.354 3.495 20 10 CGCDRO CC[C@H](C[NH2+][C@H](C)c1ccc(Cl)cc1O)OC ZINC000841753002 620388351 /nfs/dbraw/zinc/38/83/51/620388351.db2.gz DLOSENKGTGNMJR-MWLCHTKSSA-N 1 0 257.761 3.121 20 10 CGCDRO Cc1ccc([C@@H](O)C[NH2+][C@H](C)c2ccc(Cl)cc2O)o1 ZINC000841755767 620399433 /nfs/dbraw/zinc/39/94/33/620399433.db2.gz RTTOMMRRIDKQOU-YGRLFVJLSA-N 1 0 295.766 3.331 20 10 CGCDRO CC[C@H]([NH2+]C[C@H](CC(C)C)OC)c1ccccc1O ZINC000841755896 620400665 /nfs/dbraw/zinc/40/06/65/620400665.db2.gz NFPMUSCUZPRPNA-ZFWWWQNUSA-N 1 0 265.397 3.494 20 10 CGCDRO C[C@@H]([NH2+]C[C@]1(C)CCCO1)c1ccc(Cl)cc1O ZINC000841757396 620404253 /nfs/dbraw/zinc/40/42/53/620404253.db2.gz GCJTXKZMFQNWLR-YGRLFVJLSA-N 1 0 269.772 3.265 20 10 CGCDRO CC1(C)Cc2cccc(C[NH2+]CCc3ccc(N)cc3)c2O1 ZINC000841035904 620423123 /nfs/dbraw/zinc/42/31/23/620423123.db2.gz PYTYBYQKFVEBAV-UHFFFAOYSA-N 1 0 296.414 3.315 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@H]2CCSC(C)(C)C2)c1O ZINC000897790242 620431582 /nfs/dbraw/zinc/43/15/82/620431582.db2.gz SNEMRVNPLRYPKR-ZDUSSCGKSA-N 1 0 295.448 3.473 20 10 CGCDRO Cc1ccc(C[NH2+]C2CC3(C2)COC(C)(C)C3)c(O)c1 ZINC000897970007 620450515 /nfs/dbraw/zinc/45/05/15/620450515.db2.gz DJQNFASQZDKDJM-UHFFFAOYSA-N 1 0 275.392 3.138 20 10 CGCDRO C[C@@H]([NH2+]Cc1cc(Cl)ccc1O)c1cncs1 ZINC000897935071 620452076 /nfs/dbraw/zinc/45/20/76/620452076.db2.gz RLDQWEJIWRAHMX-MRVPVSSYSA-N 1 0 268.769 3.353 20 10 CGCDRO C[C@@H](Cc1cccnc1)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000897967208 620458666 /nfs/dbraw/zinc/45/86/66/620458666.db2.gz LEWNLBVYENSDEZ-JFDDCEBESA-N 1 0 295.430 3.382 20 10 CGCDRO COc1cc(C)cc(C[NH2+]C[C@H]2CCCC(C)(C)O2)c1O ZINC000898045983 620463353 /nfs/dbraw/zinc/46/33/53/620463353.db2.gz AASBGFFEOBLZNM-CQSZACIVSA-N 1 0 293.407 3.147 20 10 CGCDRO c1cc2c(cc1C[NH2+]C[C@]13C[C@H]1COC31CCC1)CCCO2 ZINC000898061099 620472392 /nfs/dbraw/zinc/47/23/92/620472392.db2.gz MAXLHXSDABEVAL-FUHWJXTLSA-N 1 0 299.414 3.060 20 10 CGCDRO CCOc1ccc(C[NH2+][C@H](c2ccncc2)C2CC2)c(O)c1 ZINC000898326233 620507047 /nfs/dbraw/zinc/50/70/47/620507047.db2.gz UDULNLOMZLNSHU-SFHVURJKSA-N 1 0 298.386 3.427 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]C(C)(C)CSC)c1 ZINC000898305428 620508787 /nfs/dbraw/zinc/50/87/87/620508787.db2.gz CQTJLHFEMYOWTH-UHFFFAOYSA-N 1 0 269.410 3.022 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]Cc2ncc(C)cc2C)c1O ZINC000926958433 620554924 /nfs/dbraw/zinc/55/49/24/620554924.db2.gz FBPMIOGOGGUCIT-CYBMUJFWSA-N 1 0 286.375 3.263 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCCC[C@@H]([C@H]3CCOC3)C2)c(O)c1 ZINC000898511662 620593737 /nfs/dbraw/zinc/59/37/37/620593737.db2.gz DHTNCHJOSOFIPL-WBVHZDCISA-N 1 0 289.419 3.339 20 10 CGCDRO CO[C@@H]1CC[C@H]1[N@H+](C)Cc1c(O)ccc2ccccc21 ZINC000902634655 621389969 /nfs/dbraw/zinc/38/99/69/621389969.db2.gz OUECROFMQIDGGV-NVXWUHKLSA-N 1 0 271.360 3.155 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]Cc1cnn(CC3CCC3)c1)CC2 ZINC000903240810 621635953 /nfs/dbraw/zinc/63/59/53/621635953.db2.gz XXPVYOZWZZLCST-MRXNPFEDSA-N 1 0 297.402 3.166 20 10 CGCDRO C[C@H]([NH2+]CC(C)(C)C1CCOCC1)c1ccccc1O ZINC000903243959 621636503 /nfs/dbraw/zinc/63/65/03/621636503.db2.gz LINOLBJEPFDVOO-ZDUSSCGKSA-N 1 0 277.408 3.496 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2C[C@H]2[C@@H]2C[C@H]2C)c1 ZINC000903252601 621642188 /nfs/dbraw/zinc/64/21/88/621642188.db2.gz FHIYNSDFKXZQOS-UCTJBKIYSA-N 1 0 261.365 3.096 20 10 CGCDRO CC[C@H]([NH2+]C[C@]1(OC)CCSC1)c1ccc(C)cc1O ZINC000903315667 621686841 /nfs/dbraw/zinc/68/68/41/621686841.db2.gz XXUMZVYFLZGIPG-GOEBONIOSA-N 1 0 295.448 3.263 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1O)c1ccc2ccccc2c1O ZINC000186067262 625512143 /nfs/dbraw/zinc/51/21/43/625512143.db2.gz GJPAROGJZLKJGQ-UVBJJODRSA-N 1 0 271.360 3.109 20 10 CGCDRO C[C@@H]([NH2+]C[C@]12C[C@H]1COC21CCC1)c1ccccc1O ZINC000903363949 621715200 /nfs/dbraw/zinc/71/52/00/621715200.db2.gz RPEMTIJMXUQFMW-DVOMOZLQSA-N 1 0 273.376 3.002 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2COC[C@@H]2C)c1O ZINC000903393653 621718675 /nfs/dbraw/zinc/71/86/75/621718675.db2.gz QXTAUKYFHBDJQV-OUJBWJOFSA-N 1 0 269.772 3.040 20 10 CGCDRO C[C@H](N[C@H](CC[NH+](C)C)c1cccnc1)c1ccccc1O ZINC000903379699 621722881 /nfs/dbraw/zinc/72/28/81/621722881.db2.gz IBDAQXGKIAFHPX-WMLDXEAASA-N 1 0 299.418 3.131 20 10 CGCDRO C[C@H]([NH2+][C@@H]1COC[C@@H]1C)c1ccc(N2CCCCC2)cc1 ZINC000903400774 621740097 /nfs/dbraw/zinc/74/00/97/621740097.db2.gz WPTDYVSCOKHOQZ-RLFYNMQTSA-N 1 0 288.435 3.362 20 10 CGCDRO Cc1cccc(C[NH2+]Cc2ccc(F)cc2F)c1O ZINC000083458555 625522457 /nfs/dbraw/zinc/52/24/57/625522457.db2.gz HDMRGBXTDKKIOC-UHFFFAOYSA-N 1 0 263.287 3.269 20 10 CGCDRO Oc1cc2c(cc1C[NH2+]CCC1=CCCCC1)OCO2 ZINC000042879376 621886003 /nfs/dbraw/zinc/88/60/03/621886003.db2.gz GPYLTNIYTDBNGV-UHFFFAOYSA-N 1 0 275.348 3.101 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](C)CCC2CC2)c1 ZINC000768953354 625554373 /nfs/dbraw/zinc/55/43/73/625554373.db2.gz RMRWQIWFOHONFH-LBPRGKRZSA-N 1 0 263.381 3.459 20 10 CGCDRO CC[C@@H](CSC)[NH2+]Cc1ccc(OC)c(C)c1 ZINC000163882854 622805172 /nfs/dbraw/zinc/80/51/72/622805172.db2.gz LTKGGOBWQXPQQL-ZDUSSCGKSA-N 1 0 253.411 3.235 20 10 CGCDRO CCN(CC[NH2+][C@H](C)c1ccc(N(C)C)cc1)C(C)C ZINC000156587115 622826268 /nfs/dbraw/zinc/82/62/68/622826268.db2.gz UELDBYYAIHWEJV-OAHLLOKOSA-N 1 0 277.456 3.134 20 10 CGCDRO CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(C)cc(C)c2O)C1 ZINC000164424244 622834662 /nfs/dbraw/zinc/83/46/62/622834662.db2.gz BVLVDDZUVNTWKS-INIZCTEOSA-N 1 0 290.451 3.173 20 10 CGCDRO CSC[C@H]1CCC[N@@H+]1Cc1cc(C)cc(C)c1O ZINC000164526000 622836767 /nfs/dbraw/zinc/83/67/67/622836767.db2.gz LGYKUXFHEIXTQH-CQSZACIVSA-N 1 0 265.422 3.336 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]C[C@H]1CCCCS1)CC2 ZINC000311158993 622890113 /nfs/dbraw/zinc/89/01/13/622890113.db2.gz LOAMUDWMUOLLSW-CHWSQXEVSA-N 1 0 263.406 3.255 20 10 CGCDRO Oc1ccccc1C[NH2+]Cc1cc(Cl)ccc1F ZINC000083482945 625604239 /nfs/dbraw/zinc/60/42/39/625604239.db2.gz UCRHOKPJSRPVQC-UHFFFAOYSA-N 1 0 265.715 3.475 20 10 CGCDRO CC[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000157454208 622907110 /nfs/dbraw/zinc/90/71/10/622907110.db2.gz QKMWMAORQVELKB-QGZVFWFLSA-N 1 0 288.435 3.288 20 10 CGCDRO C[C@H](C1CC1)[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000158050659 622996065 /nfs/dbraw/zinc/99/60/65/622996065.db2.gz HVYQGYISBJLOLB-LLVKDONJSA-N 1 0 250.361 3.122 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]CC[C@@H]1CCCCO1 ZINC000227340280 623016407 /nfs/dbraw/zinc/01/64/07/623016407.db2.gz XTWOOLCPPLFWPH-ZDUSSCGKSA-N 1 0 269.772 3.094 20 10 CGCDRO COc1cccc(C[NH2+]C[C@@H]2CCC[C@@H](C)C2)c1O ZINC000227439612 623019251 /nfs/dbraw/zinc/01/92/51/623019251.db2.gz AOOKKEIZTCUXLI-CHWSQXEVSA-N 1 0 263.381 3.317 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H](C)CCSC)c1O ZINC000076772192 623059570 /nfs/dbraw/zinc/05/95/70/623059570.db2.gz PJCLUYXXRQYGBN-NSHDSACASA-N 1 0 269.410 3.022 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCSC2)c1 ZINC000228554667 623062029 /nfs/dbraw/zinc/06/20/29/623062029.db2.gz SRLJONFYARQJPZ-RYUDHWBXSA-N 1 0 251.395 3.104 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]Cc1ccsc1 ZINC000060942062 623083110 /nfs/dbraw/zinc/08/31/10/623083110.db2.gz TZFLBNUBSLOXSY-UHFFFAOYSA-N 1 0 253.754 3.397 20 10 CGCDRO COCc1ccc(C[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC000921513472 625623625 /nfs/dbraw/zinc/62/36/25/625623625.db2.gz APKXCMCOIXTQLF-UHFFFAOYSA-N 1 0 297.398 3.448 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H]2CC[C@@H](SC)C2)c1O ZINC000230699001 623263660 /nfs/dbraw/zinc/26/36/60/623263660.db2.gz FLSJDJDQLWPVRL-CHWSQXEVSA-N 1 0 281.421 3.165 20 10 CGCDRO Oc1cc2c(cc1C[N@@H+]1CCC3(C1)CCCCC3)OCO2 ZINC000172937853 623301312 /nfs/dbraw/zinc/30/13/12/623301312.db2.gz AZKHOGPSSKIFOA-UHFFFAOYSA-N 1 0 289.375 3.277 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H](C)CC(F)(F)F)c1O ZINC000231751261 623338945 /nfs/dbraw/zinc/33/89/45/623338945.db2.gz JODAYABFYNUXKT-VIFPVBQESA-N 1 0 277.286 3.221 20 10 CGCDRO C[C@@H](Cc1ccco1)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000035254450 623422675 /nfs/dbraw/zinc/42/26/75/623422675.db2.gz IZSWJOPYTBTFBT-ZDUSSCGKSA-N 1 0 258.365 3.066 20 10 CGCDRO C[N@@H+](Cc1cc(C(C)(C)C)cc(O)c1O)C[C@@H]1CCCO1 ZINC000151758045 623563902 /nfs/dbraw/zinc/56/39/02/623563902.db2.gz VWJWEXYOFBLQGD-AWEZNQCLSA-N 1 0 293.407 3.006 20 10 CGCDRO CC[C@H](COC)[NH2+][C@@H](CC)c1ccc(N(C)C)cc1 ZINC000152926677 623736765 /nfs/dbraw/zinc/73/67/65/623736765.db2.gz AKXAIBFZSVBDDM-ZBFHGGJFSA-N 1 0 264.413 3.218 20 10 CGCDRO CCC1CCC([N@H+](CCO)Cc2ccccc2O)CC1 ZINC000754152995 623817855 /nfs/dbraw/zinc/81/78/55/623817855.db2.gz CSNIDMAPNRNUEC-UHFFFAOYSA-N 1 0 277.408 3.155 20 10 CGCDRO C[N@H+](Cc1cc2c(cc1O)CCC2)C1Cc2ccccc2C1 ZINC000919950002 624434322 /nfs/dbraw/zinc/43/43/22/624434322.db2.gz BFGYTIPHDIMNTQ-UHFFFAOYSA-N 1 0 293.410 3.480 20 10 CGCDRO CN(C)c1ccc(C[NH2+]Cc2cnn(CC3CCC3)c2)cc1 ZINC000921496172 624595127 /nfs/dbraw/zinc/59/51/27/624595127.db2.gz PNQBSSGBBXKSFF-UHFFFAOYSA-N 1 0 298.434 3.039 20 10 CGCDRO CC[C@@H](C)C[NH2+]Cc1cc(Br)ccc1O ZINC000233824209 624647481 /nfs/dbraw/zinc/64/74/81/624647481.db2.gz DIDGWUMNYYKNQR-SECBINFHSA-N 1 0 272.186 3.290 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccoc2)cc1 ZINC000069832980 624908734 /nfs/dbraw/zinc/90/87/34/624908734.db2.gz YYJXQZYECMUGBK-UHFFFAOYSA-N 1 0 258.365 3.416 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)c1 ZINC000181920798 624912643 /nfs/dbraw/zinc/91/26/43/624912643.db2.gz MOQGGRGKTCNJKN-SFHVURJKSA-N 1 0 297.398 3.144 20 10 CGCDRO CC[C@H]([NH2+]CCCOCC(F)(F)F)c1ccccc1O ZINC000183322682 625063310 /nfs/dbraw/zinc/06/33/10/625063310.db2.gz WYABVRBXMLHPPZ-LBPRGKRZSA-N 1 0 291.313 3.402 20 10 CGCDRO Cc1nc(C)c(CC[NH2+][C@@H](C)c2ccccc2O)s1 ZINC000183504214 625081183 /nfs/dbraw/zinc/08/11/83/625081183.db2.gz ABUDJZWDOPDTQK-JTQLQIEISA-N 1 0 276.405 3.359 20 10 CGCDRO C[C@H]([NH2+]CCN(C)C1CCCC1)c1ccc(N(C)C)cc1 ZINC000071376941 625081572 /nfs/dbraw/zinc/08/15/72/625081572.db2.gz GJWBCIJQUGKNHU-HNNXBMFYSA-N 1 0 289.467 3.278 20 10 CGCDRO C[C@@](O)(C[NH2+]Cc1ccc2c(c1)CCCO2)c1ccccc1 ZINC000921741511 625859375 /nfs/dbraw/zinc/85/93/75/625859375.db2.gz WYCKFMQURLGKMT-LJQANCHMSA-N 1 0 297.398 3.009 20 10 CGCDRO COCCC1([NH2+]Cc2ccc3c(c2)CCCO3)CCC1 ZINC000922080799 625969194 /nfs/dbraw/zinc/96/91/94/625969194.db2.gz GAFGXTSDWAVVNU-UHFFFAOYSA-N 1 0 275.392 3.060 20 10 CGCDRO Cc1ncsc1CC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922157593 625974347 /nfs/dbraw/zinc/97/43/47/625974347.db2.gz AKRBYPFTXDJTPO-UHFFFAOYSA-N 1 0 288.416 3.109 20 10 CGCDRO Cc1cc(C)c(C[NH2+]Cc2ccc3c(c2)CCCO3)cn1 ZINC000922167536 625978225 /nfs/dbraw/zinc/97/82/25/625978225.db2.gz CZSZKNNQBFERGL-UHFFFAOYSA-N 1 0 282.387 3.313 20 10 CGCDRO c1cc2c(cc1C[NH2+][C@H]1CCC[C@]13CCCO3)CCCO2 ZINC000922338528 626000424 /nfs/dbraw/zinc/00/04/24/626000424.db2.gz STRKUSQEHCHAKZ-ROUUACIJSA-N 1 0 287.403 3.203 20 10 CGCDRO COc1cccc(O)c1C[NH2+]CC1CCC(SC)CC1 ZINC000922419559 626004237 /nfs/dbraw/zinc/00/42/37/626004237.db2.gz QUXXWIUPNHKMLL-UHFFFAOYSA-N 1 0 295.448 3.412 20 10 CGCDRO C[C@]1(C[NH2+]Cc2c(O)cccc2Cl)CCCCO1 ZINC000922820705 626051745 /nfs/dbraw/zinc/05/17/45/626051745.db2.gz RMDGXETVKQCBHB-CQSZACIVSA-N 1 0 269.772 3.094 20 10 CGCDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)CCS1 ZINC000922836217 626053778 /nfs/dbraw/zinc/05/37/78/626053778.db2.gz KSFYWUCWCQOZSC-WCQYABFASA-N 1 0 282.428 3.265 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H]2CCS[C@H](C)C2)c1O ZINC000922844025 626056604 /nfs/dbraw/zinc/05/66/04/626056604.db2.gz VBVJKCIFFJQODF-DGCLKSJQSA-N 1 0 281.421 3.165 20 10 CGCDRO CN(C)c1cc(F)c(C[NH2+][C@]23C[C@H]2CCC3)cc1F ZINC000923020499 626119079 /nfs/dbraw/zinc/11/90/79/626119079.db2.gz JGPWJMNWXULVDT-IAQYHMDHSA-N 1 0 266.335 3.063 20 10 CGCDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC000839147544 626317179 /nfs/dbraw/zinc/31/71/79/626317179.db2.gz MPYWINKLYVEXEU-MAEOIBBWSA-N 1 0 288.435 3.334 20 10 CGCDRO Oc1ccccc1C[NH+]1CC(Cc2ccc(F)cc2)C1 ZINC000839134329 626321990 /nfs/dbraw/zinc/32/19/90/626321990.db2.gz GSKJNPZKEGKSLT-UHFFFAOYSA-N 1 0 271.335 3.206 20 10 CGCDRO Oc1ccc(F)cc1C[NH+]1CC(Cc2ccc(F)cc2)C1 ZINC000839134577 626322002 /nfs/dbraw/zinc/32/20/02/626322002.db2.gz NOMXIRYSFLQJOO-UHFFFAOYSA-N 1 0 289.325 3.345 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1C[C@@H](C)CC(C)(C)C1 ZINC000753576217 626456135 /nfs/dbraw/zinc/45/61/35/626456135.db2.gz PLIBWSWQQLEVNB-LBPRGKRZSA-N 1 0 263.381 3.269 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccnn2CC)cc1 ZINC000753849787 626467692 /nfs/dbraw/zinc/46/76/92/626467692.db2.gz WMMVJJSDHAILID-UHFFFAOYSA-N 1 0 286.423 3.039 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@@]3(CCCOC3)C2)c1 ZINC000754737718 626585367 /nfs/dbraw/zinc/58/53/67/626585367.db2.gz UTMMULGQCUZQAB-GOSISDBHSA-N 1 0 289.419 3.402 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@H](n3ccnc3)C2)c1 ZINC000754732885 626585575 /nfs/dbraw/zinc/58/55/75/626585575.db2.gz WNMCPFJICHKGIB-INIZCTEOSA-N 1 0 285.391 3.043 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCN2CCc3ccccc32)c(O)c1 ZINC000756483807 626708646 /nfs/dbraw/zinc/70/86/46/626708646.db2.gz RGYBASHQBHJEHY-HNNXBMFYSA-N 1 0 296.414 3.414 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)Cc1cnccn1)c1cc(Cl)ccc1O ZINC000756496955 626709941 /nfs/dbraw/zinc/70/99/41/626709941.db2.gz YJBKJRNSRCRCFE-WDEREUQCSA-N 1 0 291.782 3.117 20 10 CGCDRO CC(C)C[C@@H](O)C[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000756498003 626710007 /nfs/dbraw/zinc/71/00/07/626710007.db2.gz SAMMNBDNXGBTDM-ZYHUDNBSSA-N 1 0 271.788 3.103 20 10 CGCDRO COCCOCCCC[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000756517091 626711351 /nfs/dbraw/zinc/71/13/51/626711351.db2.gz NCZJKKZMVRCGDA-HNNXBMFYSA-N 1 0 295.423 3.103 20 10 CGCDRO CC[NH+]1CCC(C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])CC1 ZINC000756535801 626713332 /nfs/dbraw/zinc/71/33/32/626713332.db2.gz RMSOVPVVQKSOLF-NSHDSACASA-N 1 0 298.377 3.053 20 10 CGCDRO COC[C@@H]([NH2+][C@H](C)c1ccc(C)c(C)c1O)C(C)C ZINC000756596785 626719281 /nfs/dbraw/zinc/71/92/81/626719281.db2.gz GWLHSQCVFADUEV-UKRRQHHQSA-N 1 0 265.397 3.331 20 10 CGCDRO COC[C@H]([NH2+][C@H](C)c1cc(Cl)ccc1O)C(C)C ZINC000756599350 626719753 /nfs/dbraw/zinc/71/97/53/626719753.db2.gz ZPLUGISTUAQESV-MFKMUULPSA-N 1 0 271.788 3.367 20 10 CGCDRO C[C@@H]([NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)c1cnn(C)c1 ZINC000756605423 626719995 /nfs/dbraw/zinc/71/99/95/626719995.db2.gz IHCVKNJJFLBTJC-BREBYQMCSA-N 1 0 289.354 3.164 20 10 CGCDRO CO[C@]1(C)C[C@@H]([NH2+][C@H](C)c2cc(F)ccc2O)C1(C)C ZINC000756629183 626722303 /nfs/dbraw/zinc/72/23/03/626722303.db2.gz ZUOUFZLIGVXMSV-QSGSBWRWSA-N 1 0 281.371 3.386 20 10 CGCDRO CCC1(O)CCC([NH2+][C@@H](C)c2cc(F)ccc2O)CC1 ZINC000756665377 626726104 /nfs/dbraw/zinc/72/61/04/626726104.db2.gz UXPOHOZVXQTIRI-XOMBGVMMSA-N 1 0 281.371 3.266 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](CO)c2cccc(F)c2)c1 ZINC000756710172 626727091 /nfs/dbraw/zinc/72/70/91/626727091.db2.gz BPVLCRAIJXPYIZ-BLLLJJGKSA-N 1 0 289.350 3.224 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](CO)c2cccc(F)c2)c1 ZINC000756710174 626727265 /nfs/dbraw/zinc/72/72/65/626727265.db2.gz BPVLCRAIJXPYIZ-MLGOLLRUSA-N 1 0 289.350 3.224 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)COC2)c1cc(F)ccc1O ZINC000756761936 626730115 /nfs/dbraw/zinc/73/01/15/626730115.db2.gz VUQWBEDWBHQQSH-NSHDSACASA-N 1 0 287.334 3.412 20 10 CGCDRO COC[C@@H]([NH2+][C@@H](C)c1ccc(C)c(C)c1O)C1CC1 ZINC000756768785 626730382 /nfs/dbraw/zinc/73/03/82/626730382.db2.gz MFWCTNCFWDPWID-SWLSCSKDSA-N 1 0 263.381 3.085 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CC[C@H](O)CC1)c1cc2c(cc1O)CCCC2 ZINC000756771275 626730577 /nfs/dbraw/zinc/73/05/77/626730577.db2.gz UABLYJMVMUZDQH-DAXOMENPSA-N 1 0 289.419 3.225 20 10 CGCDRO CO[C@@H]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(C)cc1O ZINC000756787744 626732582 /nfs/dbraw/zinc/73/25/82/626732582.db2.gz RFJSQBGZILGGBZ-XJKCOSOUSA-N 1 0 263.381 3.166 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCOCC2)c2c1c(F)ccc2O ZINC000756788739 626732698 /nfs/dbraw/zinc/73/26/98/626732698.db2.gz CJWAKIVQTYLKJY-NQBHXWOUSA-N 1 0 279.355 3.238 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2CN(C)Cc3ccccc32)cc1C ZINC000756994941 626745810 /nfs/dbraw/zinc/74/58/10/626745810.db2.gz GWKXEIUCBAXHKN-SFHVURJKSA-N 1 0 296.414 3.280 20 10 CGCDRO Cc1cccc(C[NH2+]C[C@@H]2Cc3ccccc32)c1O ZINC000124801943 634514498 /nfs/dbraw/zinc/51/44/98/634514498.db2.gz MMNPLGBMABVSJA-HNNXBMFYSA-N 1 0 253.345 3.130 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCO[C@@H](C3CCCCC3)C2)c1O ZINC000758061581 626824796 /nfs/dbraw/zinc/82/47/96/626824796.db2.gz AEYJGIFFZLBVFL-QGZVFWFLSA-N 1 0 289.419 3.482 20 10 CGCDRO C[C@@H]([NH2+]Cc1nn(C)c2ccccc12)c1cc(F)ccc1O ZINC000760898125 627001250 /nfs/dbraw/zinc/00/12/50/627001250.db2.gz OJIONPWMPSBJEP-LLVKDONJSA-N 1 0 299.349 3.269 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H]2CCCN2CC)cc1 ZINC000764593851 627213758 /nfs/dbraw/zinc/21/37/58/627213758.db2.gz HXDKKPFQMNUKHV-MAUKXSAKSA-N 1 0 289.467 3.278 20 10 CGCDRO Cc1cc(C[NH+](C)C)cc(NC(=O)C2=CC(=O)CS2)c1 ZINC000765280516 627244973 /nfs/dbraw/zinc/24/49/73/627244973.db2.gz NDRAZGKPHCVNNJ-UHFFFAOYSA-N 1 0 290.388 3.076 20 10 CGCDRO CC[C@H]([NH2+]C[C@H](O)CC(C)C)c1ccc(N(C)C)cc1 ZINC000765473147 627251382 /nfs/dbraw/zinc/25/13/82/627251382.db2.gz DCWSSVJTAMQZOY-SJORKVTESA-N 1 0 278.440 3.200 20 10 CGCDRO CCC[C@](C)(O)C[NH2+][C@H](C)c1ccc(N(C)CC)cc1 ZINC000765945933 627280531 /nfs/dbraw/zinc/28/05/31/627280531.db2.gz RJQYPSFXNGBFGW-PBHICJAKSA-N 1 0 278.440 3.344 20 10 CGCDRO COC[C@@H](CC(C)C)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000766030010 627289164 /nfs/dbraw/zinc/28/91/64/627289164.db2.gz RYBAYEWCRBEICH-MRXNPFEDSA-N 1 0 278.440 3.212 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCNc2ccccn2)cc1 ZINC000766140994 627298828 /nfs/dbraw/zinc/29/88/28/627298828.db2.gz BTSKCHRQFLVBML-OAHLLOKOSA-N 1 0 298.434 3.300 20 10 CGCDRO CC/C=C/CC[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000767322863 627398381 /nfs/dbraw/zinc/39/83/81/627398381.db2.gz KSWAZHOVGZBCJE-SNAWJCMRSA-N 1 0 292.398 3.313 20 10 CGCDRO COc1cccc(O)c1C[N@H+](C)Cc1ccc(C)cc1 ZINC000768172468 627465584 /nfs/dbraw/zinc/46/55/84/627465584.db2.gz PSUWYLCQJVKZCA-UHFFFAOYSA-N 1 0 271.360 3.341 20 10 CGCDRO CC(C)OC1CC[NH+](Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000768992499 627514396 /nfs/dbraw/zinc/51/43/96/627514396.db2.gz NCQLPHXQKOMGNS-UHFFFAOYSA-N 1 0 294.414 3.281 20 10 CGCDRO COc1cccc(O)c1C[N@H+](C)CCc1ccccc1F ZINC000769030576 627518846 /nfs/dbraw/zinc/51/88/46/627518846.db2.gz VOLFVPJMPZMJRO-UHFFFAOYSA-N 1 0 289.350 3.214 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@H]1C(C)(C)C ZINC000769315883 627540189 /nfs/dbraw/zinc/54/01/89/627540189.db2.gz XAJFEHWFIZTIBL-OAHLLOKOSA-N 1 0 263.381 3.411 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CCCc2ccccc2C1 ZINC000769330824 627542549 /nfs/dbraw/zinc/54/25/49/627542549.db2.gz AWZIZZIWKWKZGY-UHFFFAOYSA-N 1 0 283.371 3.349 20 10 CGCDRO COc1ccccc1CC[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000769333245 627543177 /nfs/dbraw/zinc/54/31/77/627543177.db2.gz IDOUIJYMVBUUSG-UHFFFAOYSA-N 1 0 298.430 3.436 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCOC[C@H](C)C2)cc1F ZINC000769457799 627554986 /nfs/dbraw/zinc/55/49/86/627554986.db2.gz UTAXTWKMZVZIMD-CQSZACIVSA-N 1 0 294.414 3.140 20 10 CGCDRO C[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000769470728 627557429 /nfs/dbraw/zinc/55/74/29/627557429.db2.gz OGOOKDCQRZUCNG-VXGBXAGGSA-N 1 0 250.361 3.122 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1Cc2ccccc2C[C@@H]1C ZINC000769482531 627559138 /nfs/dbraw/zinc/55/91/38/627559138.db2.gz FNXWHLPJXVZBDB-ZDUSSCGKSA-N 1 0 283.371 3.348 20 10 CGCDRO COc1cccc(C[N@@H+]2CC[C@H]2Cc2ccccc2)c1O ZINC000769505954 627561006 /nfs/dbraw/zinc/56/10/06/627561006.db2.gz LMVLNAJPAWMJFJ-INIZCTEOSA-N 1 0 283.371 3.218 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccco2)cc1 ZINC000125146786 634601402 /nfs/dbraw/zinc/60/14/02/634601402.db2.gz MMRFXZGCYRBLBW-CJNGLKHVSA-N 1 0 288.391 3.120 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000772598123 627805516 /nfs/dbraw/zinc/80/55/16/627805516.db2.gz HPSHGBRONSCKHT-CQSZACIVSA-N 1 0 272.348 3.066 20 10 CGCDRO C[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)c1ccc[nH]1 ZINC000773113976 627857469 /nfs/dbraw/zinc/85/74/69/627857469.db2.gz BYDJQHNFFKJSTR-STQMWFEESA-N 1 0 257.381 3.493 20 10 CGCDRO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(N(C)CC)cc1 ZINC000773730731 627908557 /nfs/dbraw/zinc/90/85/57/627908557.db2.gz PZJDMDSEUVNKMS-HOCLYGCPSA-N 1 0 276.424 3.142 20 10 CGCDRO CC[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1ccc(N(C)CC)cc1 ZINC000773755626 627911087 /nfs/dbraw/zinc/91/10/87/627911087.db2.gz UNIVEJYIWXFNHI-ROUUACIJSA-N 1 0 290.451 3.268 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@H](C)[C@H](F)C2)cc1 ZINC000773831895 627917949 /nfs/dbraw/zinc/91/79/49/627917949.db2.gz JYWKYTRGKRKJME-CZUORRHYSA-N 1 0 264.388 3.323 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H](O)c1ccccc1Cl)c1ccccc1O ZINC000775129629 628066541 /nfs/dbraw/zinc/06/65/41/628066541.db2.gz HJLMGMZOCTXKKB-BDJLRTHQSA-N 1 0 291.778 3.430 20 10 CGCDRO CC[C@H]([NH2+]C[C@](C)(O)C1CC1)c1cc(Cl)ccc1O ZINC000775503595 628101655 /nfs/dbraw/zinc/10/16/55/628101655.db2.gz KEYZJDCZOZXPRB-ZFWWWQNUSA-N 1 0 283.799 3.247 20 10 CGCDRO CC[C@@H]([NH2+]CCc1cnc(C2CC2)nc1)c1ccccc1O ZINC000775525112 628104302 /nfs/dbraw/zinc/10/43/02/628104302.db2.gz XYRWIIPXAUBTNZ-MRXNPFEDSA-N 1 0 297.402 3.343 20 10 CGCDRO CC[C@@H]([NH2+]CCc1ccn(C)n1)c1cc(Cl)ccc1O ZINC000775556393 628106522 /nfs/dbraw/zinc/10/65/22/628106522.db2.gz YHDAUDZNVADPLG-CQSZACIVSA-N 1 0 293.798 3.063 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H]2c2ccccc2)c1 ZINC000775633833 628117487 /nfs/dbraw/zinc/11/74/87/628117487.db2.gz LVWACEGGXHYKLH-INIZCTEOSA-N 1 0 269.344 3.348 20 10 CGCDRO Cc1cccc(C[NH+]2C[C@@H](C)S[C@H](C)C2)c1O ZINC000775665167 628118587 /nfs/dbraw/zinc/11/85/87/628118587.db2.gz ZNKBTTCCBSBVNK-VXGBXAGGSA-N 1 0 251.395 3.026 20 10 CGCDRO COc1ccc(O)c(C[N@H+](C)CCc2ccccc2F)c1 ZINC000775662143 628122339 /nfs/dbraw/zinc/12/23/39/628122339.db2.gz CYBWYVHRMHBHES-UHFFFAOYSA-N 1 0 289.350 3.214 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)c1O ZINC000775736150 628131471 /nfs/dbraw/zinc/13/14/71/628131471.db2.gz NXZJARDYAFIDCS-IUODEOHRSA-N 1 0 295.810 3.355 20 10 CGCDRO CCOC(=O)CCCC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000775836954 628141319 /nfs/dbraw/zinc/14/13/19/628141319.db2.gz PPDFYFBSIATMJG-AWEZNQCLSA-N 1 0 292.423 3.137 20 10 CGCDRO c1ccc2c(c1)CC(C[NH2+]Cc1ccc3c(c1)CCO3)C2 ZINC000776174458 628176102 /nfs/dbraw/zinc/17/61/02/628176102.db2.gz ACKWHQHVJLHCJY-UHFFFAOYSA-N 1 0 279.383 3.126 20 10 CGCDRO CCO[C@H]1C[C@H]([NH2+]Cc2c(O)cccc2Cl)C12CCC2 ZINC000776176992 628176491 /nfs/dbraw/zinc/17/64/91/628176491.db2.gz HPSHZVGMPQOVRC-GJZGRUSLSA-N 1 0 295.810 3.483 20 10 CGCDRO CO[C@@H](C[NH2+]Cc1c(O)cccc1Cl)C(C)(C)C ZINC000776219317 628181718 /nfs/dbraw/zinc/18/17/18/628181718.db2.gz FJQDLFHZTPSPTM-ZDUSSCGKSA-N 1 0 271.788 3.196 20 10 CGCDRO CO[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(C)c2O)C1(C)C ZINC000776230410 628183285 /nfs/dbraw/zinc/18/32/85/628183285.db2.gz HWLWCYLYQFKQGK-CHWSQXEVSA-N 1 0 283.799 3.257 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H](c2cccnc2)C2CC2)c1 ZINC000776253703 628185549 /nfs/dbraw/zinc/18/55/49/628185549.db2.gz ONJNAQKNGPJATF-QGZVFWFLSA-N 1 0 284.359 3.037 20 10 CGCDRO C[C@H]1CC[N@H+](Cc2cc3c(cc2O)CCC3)C[C@@H]1F ZINC000777970070 628317605 /nfs/dbraw/zinc/31/76/05/628317605.db2.gz VAHMDRQWQSBIFY-NHYWBVRUSA-N 1 0 263.356 3.061 20 10 CGCDRO CCC(CC)[C@H](CC[NH2+]Cc1cc(F)ccc1O)OC ZINC000779101769 628388660 /nfs/dbraw/zinc/38/86/60/628388660.db2.gz FYFIBQCLPNNASU-INIZCTEOSA-N 1 0 283.387 3.462 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H]2CCO)cc1F ZINC000779202994 628394216 /nfs/dbraw/zinc/39/42/16/628394216.db2.gz UTOFYMOXZAQKNF-HNNXBMFYSA-N 1 0 294.414 3.019 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@](O)(CC)C2)cc1F ZINC000779220147 628394854 /nfs/dbraw/zinc/39/48/54/628394854.db2.gz YKGQFHONXRSSFX-KRWDZBQOSA-N 1 0 294.414 3.019 20 10 CGCDRO COc1cccc(C[N@@H+]2CC[C@H](C)C3(CCC3)C2)c1O ZINC000779604140 628417879 /nfs/dbraw/zinc/41/78/79/628417879.db2.gz HZKMWGHCKBCLBJ-ZDUSSCGKSA-N 1 0 275.392 3.413 20 10 CGCDRO Cc1nccnc1[C@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000783294263 628700191 /nfs/dbraw/zinc/70/01/91/628700191.db2.gz IWYASSDZHZDYGM-JSGCOSHPSA-N 1 0 284.407 3.263 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1CCC=CO1)c1cc(Cl)ccc1O ZINC000783310207 628702421 /nfs/dbraw/zinc/70/24/21/628702421.db2.gz LPRNMBCWXSPVMC-JQWIXIFHSA-N 1 0 267.756 3.389 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC=CO2)c2c1c(F)ccc2O ZINC000783310645 628702513 /nfs/dbraw/zinc/70/25/13/628702513.db2.gz QVNYKBFSFYHKAC-MDZLAQPJSA-N 1 0 277.339 3.362 20 10 CGCDRO C[C@H]([NH2+]C[C@H](Cc1ccccc1)N(C)C)c1ccccc1O ZINC000783490325 628717866 /nfs/dbraw/zinc/71/78/66/628717866.db2.gz JGMYWDAFZNYMBJ-RDJZCZTQSA-N 1 0 298.430 3.216 20 10 CGCDRO C[C@H](C[NH2+][C@@H](C)c1ccccc1O)N1CCCC[C@H]1C ZINC000783501519 628718824 /nfs/dbraw/zinc/71/88/24/628718824.db2.gz JDVZPCZIPGAEPU-KFWWJZLASA-N 1 0 276.424 3.306 20 10 CGCDRO Cc1cc(Cl)cc(CN(C)CC2([NH+](C)C)CCC2)c1O ZINC000783743373 628744325 /nfs/dbraw/zinc/74/43/25/628744325.db2.gz CIICMJZYSOQGRC-UHFFFAOYSA-N 1 0 296.842 3.270 20 10 CGCDRO CC1([NH2+]Cc2cc3c(cc2O)OCO3)CCC(F)(F)CC1 ZINC000784622230 628825787 /nfs/dbraw/zinc/82/57/87/628825787.db2.gz WGNYLMXBQVVQIS-UHFFFAOYSA-N 1 0 299.317 3.179 20 10 CGCDRO C[C@@H]1C[C@H](CC[NH2+]Cc2ccc(N(C)C)c(F)c2)CCO1 ZINC000784643676 628827240 /nfs/dbraw/zinc/82/72/40/628827240.db2.gz NPJSMKXJYIGKEC-ZIAGYGMSSA-N 1 0 294.414 3.187 20 10 CGCDRO c1nc(C2CC2)c(C[NH2+]Cc2ccc3c(c2)CCO3)s1 ZINC000785446596 628862615 /nfs/dbraw/zinc/86/26/15/628862615.db2.gz FHCKVSRYCNJDHS-UHFFFAOYSA-N 1 0 286.400 3.245 20 10 CGCDRO COc1ccc(C[NH2+][C@H](CO)Cc2ccccc2C)cc1C ZINC000786156352 628916990 /nfs/dbraw/zinc/91/69/90/628916990.db2.gz COUPGQLSMJWSMH-SFHVURJKSA-N 1 0 299.414 3.005 20 10 CGCDRO C[N@@H+](Cc1ccccc1O)C[C@H]1CCC(F)(F)C1 ZINC000787730770 629026006 /nfs/dbraw/zinc/02/60/06/629026006.db2.gz MYSAGPGOTJKLLO-NSHDSACASA-N 1 0 255.308 3.259 20 10 CGCDRO c1cc(C[NH2+]C2CCC3(CCCO3)CC2)cc2c1OCC2 ZINC000788239513 629042746 /nfs/dbraw/zinc/04/27/46/629042746.db2.gz FNOUDQUXFSEISX-UHFFFAOYSA-N 1 0 287.403 3.203 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCN2CCC[C@@H]2C)c(O)c1 ZINC000788614631 629069611 /nfs/dbraw/zinc/06/96/11/629069611.db2.gz TUSSIMXFNYRAQD-GJZGRUSLSA-N 1 0 276.424 3.144 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)CCC[C@@H](C)O)cc1 ZINC000789306708 629122823 /nfs/dbraw/zinc/12/28/23/629122823.db2.gz RPMFFYIDSPDPDL-OAHLLOKOSA-N 1 0 278.440 3.126 20 10 CGCDRO Oc1ccc2ccncc2c1C[N@@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000789508830 629141673 /nfs/dbraw/zinc/14/16/73/629141673.db2.gz SDPGQDCRBGQTIO-FUHWJXTLSA-N 1 0 298.386 3.084 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@]2(CC)CO)cc1 ZINC000789567009 629145567 /nfs/dbraw/zinc/14/55/67/629145567.db2.gz QOBWPZDIFDKZHB-SFHVURJKSA-N 1 0 290.451 3.270 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCSC2)c(O)c1C ZINC000790495823 629213530 /nfs/dbraw/zinc/21/35/30/629213530.db2.gz BUKAUOMQRVVPCV-STQMWFEESA-N 1 0 265.422 3.413 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CCC2(O)CCC2)cc1F ZINC000790637586 629221938 /nfs/dbraw/zinc/22/19/38/629221938.db2.gz ILPFHGBAJIZQAJ-UHFFFAOYSA-N 1 0 294.414 3.067 20 10 CGCDRO Cc1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2C[C@H](C)O)c1O ZINC000790934111 629241602 /nfs/dbraw/zinc/24/16/02/629241602.db2.gz DZGPXSWPISAWPG-SWLSCSKDSA-N 1 0 297.826 3.479 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](c3ccc(O)cc3)C2)c1 ZINC000862540852 629395846 /nfs/dbraw/zinc/39/58/46/629395846.db2.gz LBOBOJOCZSFMDZ-CQSZACIVSA-N 1 0 299.370 3.096 20 10 CGCDRO CO[C@@H]1CCC[C@H]([NH2+]Cc2ccc3c(c2)CCCN3C)C1 ZINC000792942052 629396144 /nfs/dbraw/zinc/39/61/44/629396144.db2.gz IWIXWPIYIQODSO-DLBZAZTESA-N 1 0 288.435 3.116 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CCCF)c(C(F)(F)F)c1 ZINC000793008505 629402022 /nfs/dbraw/zinc/40/20/22/629402022.db2.gz NLOCITHQLHHNOH-UHFFFAOYSA-N 1 0 278.293 3.221 20 10 CGCDRO CCOc1ccc(O)c(C[N@H+](CC)CC2CCC2)c1 ZINC000793354136 629446620 /nfs/dbraw/zinc/44/66/20/629446620.db2.gz YMBRTZCRLGTOAW-UHFFFAOYSA-N 1 0 263.381 3.413 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCOC[C@@H](C3CCC3)C2)c1 ZINC000793744068 629499827 /nfs/dbraw/zinc/49/98/27/629499827.db2.gz QHUBGIQJILYUMX-KRWDZBQOSA-N 1 0 289.419 3.258 20 10 CGCDRO CC[C@H]1CC[N@@H+]1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000793819666 629503329 /nfs/dbraw/zinc/50/33/29/629503329.db2.gz JAADARFTQNJJOO-ZDUSSCGKSA-N 1 0 263.381 3.380 20 10 CGCDRO COc1cc(C)cc(C[NH+]2C[C@@H](C)C(F)(F)[C@H](C)C2)c1O ZINC000863274412 629518579 /nfs/dbraw/zinc/51/85/79/629518579.db2.gz JSMOOZPDNNFWIH-VXGBXAGGSA-N 1 0 299.361 3.432 20 10 CGCDRO CC[C@@H]([NH2+]CCN1CC[C@H](C)C1)c1ccc(C)cc1O ZINC000794800638 629578024 /nfs/dbraw/zinc/57/80/24/629578024.db2.gz FKOOHRUIADJLJF-GOEBONIOSA-N 1 0 276.424 3.083 20 10 CGCDRO CC[C@@H]([NH2+]CCN(CC)C(C)C)c1ccc(C)cc1O ZINC000794801660 629578117 /nfs/dbraw/zinc/57/81/17/629578117.db2.gz ATLPEWQSRGYRCM-MRXNPFEDSA-N 1 0 278.440 3.472 20 10 CGCDRO CC[C@H]([NH2+]C[C@@]1(C)CCOC1)c1ccc(C)cc1O ZINC000794803620 629579636 /nfs/dbraw/zinc/57/96/36/629579636.db2.gz BPOIFHPVIKXUPO-GOEBONIOSA-N 1 0 263.381 3.168 20 10 CGCDRO CC[C@@H]([NH2+]CCC(=O)OC(C)(C)C)c1ccc(C)cc1O ZINC000794801786 629579671 /nfs/dbraw/zinc/57/96/71/629579671.db2.gz LFIMHNBRZBQQOL-CQSZACIVSA-N 1 0 293.407 3.473 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2cccnc2F)c1 ZINC000794833675 629585122 /nfs/dbraw/zinc/58/51/22/629585122.db2.gz KJRIDWIQNQUIAG-NSHDSACASA-N 1 0 260.312 3.086 20 10 CGCDRO COc1ccc2ccc(O)c(C[N@@H+](C)C[C@@H](C)OC)c2c1 ZINC000795745590 629712484 /nfs/dbraw/zinc/71/24/84/629712484.db2.gz DBTSXLSVQKWTMP-GFCCVEGCSA-N 1 0 289.375 3.021 20 10 CGCDRO COc1cc(C[N@@H+](C)C[C@@H](C)OC)c(O)c(C(C)(C)C)c1 ZINC000795752617 629713465 /nfs/dbraw/zinc/71/34/65/629713465.db2.gz UPOZGYBRTMLVQJ-GFCCVEGCSA-N 1 0 295.423 3.165 20 10 CGCDRO Oc1ccccc1C[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000796283952 629761247 /nfs/dbraw/zinc/76/12/47/629761247.db2.gz NBLYJYKMLGXJNF-ONEGZZNKSA-N 1 0 275.298 3.473 20 10 CGCDRO Oc1ccc(-c2csc([C@@H]3CCCC[NH2+]3)n2)cc1O ZINC000864344896 629814997 /nfs/dbraw/zinc/81/49/97/629814997.db2.gz JPMIPULNLPQKGK-JTQLQIEISA-N 1 0 276.361 3.036 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CSC[C@@H]2C)c2c1c(F)ccc2O ZINC000797063605 629880434 /nfs/dbraw/zinc/88/04/34/629880434.db2.gz CDWWYSXBSPKHES-LLHIFLOGSA-N 1 0 281.396 3.421 20 10 CGCDRO C[C@@H]([NH2+]CC1(C(F)(F)F)CC1)c1ccccc1O ZINC000797070288 629881395 /nfs/dbraw/zinc/88/13/95/629881395.db2.gz KAOTYUUGROYGGE-SECBINFHSA-N 1 0 259.271 3.385 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H]2c2cccnc2)c1O ZINC000798189991 630032635 /nfs/dbraw/zinc/03/26/35/630032635.db2.gz VPRDYJFDJROQHW-MRXNPFEDSA-N 1 0 298.386 3.441 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]C[C@H]2CCC[C@H]2C)c1 ZINC000798503348 630060710 /nfs/dbraw/zinc/06/07/10/630060710.db2.gz IKIIWENCSUJBTQ-CHWSQXEVSA-N 1 0 263.381 3.317 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@@H](c3ccccn3)C2)c1 ZINC000799158761 630150380 /nfs/dbraw/zinc/15/03/80/630150380.db2.gz RWVCSPMQPNUOSG-OAHLLOKOSA-N 1 0 282.387 3.394 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CC(C)(C)C(F)(F)F)cc1 ZINC000800889474 630309247 /nfs/dbraw/zinc/30/92/47/630309247.db2.gz XPVXRJVINVMZGV-UHFFFAOYSA-N 1 0 274.330 3.431 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCCC[C@@H]2F)c1 ZINC000865699433 630397012 /nfs/dbraw/zinc/39/70/12/630397012.db2.gz QFMIWMIAHIYPSG-UONOGXRCSA-N 1 0 267.344 3.161 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)Cn2ccnc2)c1O ZINC000808675517 630663136 /nfs/dbraw/zinc/66/31/36/630663136.db2.gz JLJWCQBTLDLPCT-RYUDHWBXSA-N 1 0 293.798 3.290 20 10 CGCDRO CC[C@H](COC)[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808697547 630665242 /nfs/dbraw/zinc/66/52/42/630665242.db2.gz MTLJDEAMDAUDIL-ZYHUDNBSSA-N 1 0 271.788 3.430 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](C)Cn2cccn2)c1O ZINC000808704379 630667172 /nfs/dbraw/zinc/66/71/72/630667172.db2.gz CCHVDILYXNVUFS-VXGBXAGGSA-N 1 0 293.798 3.290 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](CO)CC2CC2)c1O ZINC000808709483 630667643 /nfs/dbraw/zinc/66/76/43/630667643.db2.gz WSTBDKZJKIRSGA-GWCFXTLKSA-N 1 0 283.799 3.166 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CC[C@H](O)CC2)c1O ZINC000808709814 630668459 /nfs/dbraw/zinc/66/84/59/630668459.db2.gz ZQXLMILUFSJEQG-DRZSPHRISA-N 1 0 283.799 3.308 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCCCCO)c1O ZINC000808718661 630670380 /nfs/dbraw/zinc/67/03/80/630670380.db2.gz OWLWDEKBRYKZEN-NSHDSACASA-N 1 0 271.788 3.167 20 10 CGCDRO CCC[N@H+](CCN1CCCC1)Cc1cc(C)ccc1O ZINC000809700850 630785436 /nfs/dbraw/zinc/78/54/36/630785436.db2.gz PKCATDYMFVTABM-UHFFFAOYSA-N 1 0 276.424 3.008 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H]2c2cccnc2)c1 ZINC000809728522 630793929 /nfs/dbraw/zinc/79/39/29/630793929.db2.gz AJZFPVZJMRZZKD-INIZCTEOSA-N 1 0 268.360 3.433 20 10 CGCDRO Cn1cncc1C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000810159573 630848527 /nfs/dbraw/zinc/84/85/27/630848527.db2.gz ZFILFZDRGFDGLX-UHFFFAOYSA-N 1 0 293.370 3.083 20 10 CGCDRO CC[C@H]([NH2+]CC[C@@H](C)O)c1ccc(C(F)(F)F)cc1O ZINC000810219505 630855711 /nfs/dbraw/zinc/85/57/11/630855711.db2.gz SZEATVVYFHUIIJ-SKDRFNHKSA-N 1 0 291.313 3.223 20 10 CGCDRO CC[C@@H](C[NH2+][C@H](C)c1cc(Cl)cc(C)c1O)OC ZINC000810257532 630860297 /nfs/dbraw/zinc/86/02/97/630860297.db2.gz CLBIOGIOWSTBGP-PWSUYJOCSA-N 1 0 271.788 3.430 20 10 CGCDRO Oc1ccc(CCNc2cc[nH+]c3cc(F)ccc23)cc1O ZINC000811811548 631122773 /nfs/dbraw/zinc/12/27/73/631122773.db2.gz YDNSGBXLDQWBJZ-UHFFFAOYSA-N 1 0 298.317 3.440 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](CC)[C@H]2CCOC2)cc1 ZINC000812781079 631307096 /nfs/dbraw/zinc/30/70/96/631307096.db2.gz ZONIQSLHDMEBLY-KRWDZBQOSA-N 1 0 276.424 3.144 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c(O)c1 ZINC000876534414 634852644 /nfs/dbraw/zinc/85/26/44/634852644.db2.gz CHMHGYQHXNSTET-GFCCVEGCSA-N 1 0 273.298 3.475 20 10 CGCDRO C[C@H]([NH2+][C@@H]1C[C@H](C)[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000813854915 631470974 /nfs/dbraw/zinc/47/09/74/631470974.db2.gz ICJOHOQCSVUQNT-YRBFXIGRSA-N 1 0 288.435 3.218 20 10 CGCDRO Cc1nnsc1C[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000813884616 631476271 /nfs/dbraw/zinc/47/62/71/631476271.db2.gz MWWPMEUMCHNIGQ-XVKPBYJWSA-N 1 0 293.367 3.029 20 10 CGCDRO COCC(C)(C)C[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000814173147 631538608 /nfs/dbraw/zinc/53/86/08/631538608.db2.gz JMSVAKUMQYLJMM-UHFFFAOYSA-N 1 0 271.788 3.116 20 10 CGCDRO CC[C@@H]1C[N@H+](Cc2ccc(N(C)C)c(C)c2)CCS1 ZINC000815054239 631707467 /nfs/dbraw/zinc/70/74/67/631707467.db2.gz CITTZYWGFNUGIA-OAHLLOKOSA-N 1 0 278.465 3.388 20 10 CGCDRO Cc1cc(C[NH+]2C[C@@H](C)S[C@H](C)C2)ccc1N(C)C ZINC000815054424 631707662 /nfs/dbraw/zinc/70/76/62/631707662.db2.gz KUAIOFQFDWHYFS-ZIAGYGMSSA-N 1 0 278.465 3.387 20 10 CGCDRO CO[C@H](C)C[N@H+](Cc1ccc(N(C)C)c(C)c1)C(C)C ZINC000815052796 631707731 /nfs/dbraw/zinc/70/77/31/631707731.db2.gz APVPVRUPQKFMAD-OAHLLOKOSA-N 1 0 278.440 3.306 20 10 CGCDRO Cc1cc(C[NH+]2CCC(CCCO)CC2)ccc1N(C)C ZINC000815091910 631715164 /nfs/dbraw/zinc/71/51/64/631715164.db2.gz TWYLDVZSYARNJL-UHFFFAOYSA-N 1 0 290.451 3.046 20 10 CGCDRO Cc1cc(C[N@H+]2CCCC[C@@H]2C[C@H](C)O)ccc1N(C)C ZINC000815103409 631717494 /nfs/dbraw/zinc/71/74/94/631717494.db2.gz PXGONUWHFJPSFV-DOTOQJQBSA-N 1 0 290.451 3.186 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCOC2CCC2)c(O)c1 ZINC000815606639 631805249 /nfs/dbraw/zinc/80/52/49/631805249.db2.gz CEOMRDYBRYNIFA-ZDUSSCGKSA-N 1 0 263.381 3.229 20 10 CGCDRO OCC[C@H]1CCC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816504586 631996593 /nfs/dbraw/zinc/99/65/93/631996593.db2.gz SRERHPYVRIEWEP-CQSZACIVSA-N 1 0 285.387 3.140 20 10 CGCDRO CC(C)[N@H+](C)CCC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816532982 632006416 /nfs/dbraw/zinc/00/64/16/632006416.db2.gz FCIAJMXMTHCLNQ-UHFFFAOYSA-N 1 0 288.794 3.005 20 10 CGCDRO OCCC1(C[NH2+]Cc2ccc3ccccc3c2O)CCC1 ZINC000816556705 632011834 /nfs/dbraw/zinc/01/18/34/632011834.db2.gz RXNXWSISEINOOU-UHFFFAOYSA-N 1 0 285.387 3.188 20 10 CGCDRO Cc1cc(C[NH2+]Cc2ccc3ccccc3c2O)on1 ZINC000816562888 632013790 /nfs/dbraw/zinc/01/37/90/632013790.db2.gz CJTBCAMXTBHPRJ-UHFFFAOYSA-N 1 0 268.316 3.132 20 10 CGCDRO Oc1c(C[NH2+]C[C@H]2CCSC2)ccc2ccccc21 ZINC000816595093 632020012 /nfs/dbraw/zinc/02/00/12/632020012.db2.gz ZBICZTRUJQFTSR-GFCCVEGCSA-N 1 0 273.401 3.388 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCCO[C@@H](C(C)C)C2)cc1C ZINC000816674646 632041196 /nfs/dbraw/zinc/04/11/96/632041196.db2.gz GYHHTQVAGRMUSC-QGZVFWFLSA-N 1 0 277.408 3.256 20 10 CGCDRO CC[C@H]1C[C@@H]([NH2+]Cc2c(O)cccc2Cl)CCO1 ZINC000817414672 632144802 /nfs/dbraw/zinc/14/48/02/632144802.db2.gz HZEZVSZKTCTXLJ-QWRGUYRKSA-N 1 0 269.772 3.093 20 10 CGCDRO OCC[C@@H]1CCC[N@H+](Cc2c(O)cccc2Cl)CC1 ZINC000817418730 632146651 /nfs/dbraw/zinc/14/66/51/632146651.db2.gz DDZRKYWEFZUSFQ-GFCCVEGCSA-N 1 0 283.799 3.030 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](CCO)CC2)c(Cl)c1 ZINC000817419365 632147936 /nfs/dbraw/zinc/14/79/36/632147936.db2.gz USAPTYRIRICIQV-ZDUSSCGKSA-N 1 0 297.826 3.339 20 10 CGCDRO C[C@H]([NH3+])CC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817953449 632248993 /nfs/dbraw/zinc/24/89/93/632248993.db2.gz OWSXDFLBOWCXJK-YUMQZZPRSA-N 1 0 277.195 3.087 20 10 CGCDRO CC[C@@H]([NH2+]CC[C@H](C)[NH3+])c1ccc(Cl)c(Cl)c1[O-] ZINC000817953843 632249319 /nfs/dbraw/zinc/24/93/19/632249319.db2.gz VCFTTYFKATWPOJ-GZMMTYOYSA-N 1 0 291.222 3.477 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H](N)c2ccccc2)cc1 ZINC000817955263 632249930 /nfs/dbraw/zinc/24/99/30/632249930.db2.gz UPBGNZNBKMDMJA-BEFAXECRSA-N 1 0 297.446 3.493 20 10 CGCDRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CCc2ccc(N)cc2)c1 ZINC000817956092 632251071 /nfs/dbraw/zinc/25/10/71/632251071.db2.gz QMKQIDUGPUBCMA-CYBMUJFWSA-N 1 0 297.402 3.121 20 10 CGCDRO COc1ccc([C@@H](C)[NH2+]CCc2ccc(N)cc2)c(F)c1 ZINC000817956334 632251212 /nfs/dbraw/zinc/25/12/12/632251212.db2.gz WPJRZDOKWLPGBE-GFCCVEGCSA-N 1 0 288.366 3.310 20 10 CGCDRO COc1ccc2c(c1)[C@@H]([NH2+]CCc1ccc(N)cc1)CC2 ZINC000817956367 632251278 /nfs/dbraw/zinc/25/12/78/632251278.db2.gz XLWSRGDFVMQAKL-SFHVURJKSA-N 1 0 282.387 3.097 20 10 CGCDRO Nc1ccc(CC[NH2+][C@@H](c2cccnc2)C2CCC2)cc1 ZINC000817956763 632252249 /nfs/dbraw/zinc/25/22/49/632252249.db2.gz CHOVRCMFCVKBNX-GOSISDBHSA-N 1 0 281.403 3.337 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCc2ccc(N)cc2)c1 ZINC000817957315 632252478 /nfs/dbraw/zinc/25/24/78/632252478.db2.gz KSYNTOFHPSOCDY-ZDUSSCGKSA-N 1 0 270.376 3.176 20 10 CGCDRO CC[C@H]([NH2+]CCc1ccc(N)cc1)c1ccccc1O ZINC000817957037 632252538 /nfs/dbraw/zinc/25/25/38/632252538.db2.gz HXOXGIPNKIPKHR-INIZCTEOSA-N 1 0 270.376 3.258 20 10 CGCDRO C[C@@H]([NH2+][C@@H](CN)C1CCCCC1)c1cc(F)ccc1O ZINC000817957891 632253036 /nfs/dbraw/zinc/25/30/36/632253036.db2.gz FWGBOXAGWAFJQS-ABAIWWIYSA-N 1 0 280.387 3.090 20 10 CGCDRO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CCc1ccc(N)cc1 ZINC000817958216 632253714 /nfs/dbraw/zinc/25/37/14/632253714.db2.gz TXIAAZAZBGDBDO-KDOFPFPSSA-N 1 0 284.403 3.177 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817965889 632260034 /nfs/dbraw/zinc/26/00/34/632260034.db2.gz WTGHCMURJYXVIU-HQJQHLMTSA-N 1 0 289.206 3.087 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817965891 632260649 /nfs/dbraw/zinc/26/06/49/632260649.db2.gz WTGHCMURJYXVIU-RDDDGLTNSA-N 1 0 289.206 3.087 20 10 CGCDRO CC[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cccc(Cl)c1[O-] ZINC000817966489 632261699 /nfs/dbraw/zinc/26/16/99/632261699.db2.gz OWWBYUXWCZMTNL-GOEBONIOSA-N 1 0 296.842 3.476 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](C)C1)c1cccc(Cl)c1[O-] ZINC000817970651 632264865 /nfs/dbraw/zinc/26/48/65/632264865.db2.gz BHXUCHLSSJTTQK-WDMOLILDSA-N 1 0 282.815 3.227 20 10 CGCDRO CC[C@H]([NH3+])CN[C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000817978810 632270022 /nfs/dbraw/zinc/27/00/22/632270022.db2.gz DZJIFWBDWCNQBO-HOCLYGCPSA-N 1 0 275.440 3.065 20 10 CGCDRO Cc1cc(N)cc(C[NH2+][C@H](C)c2cc(F)ccc2O)c1 ZINC000817980299 632270337 /nfs/dbraw/zinc/27/03/37/632270337.db2.gz KPKPWNWBHBVQJM-LLVKDONJSA-N 1 0 274.339 3.273 20 10 CGCDRO CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817979891 632270570 /nfs/dbraw/zinc/27/05/70/632270570.db2.gz PZGCNRMIYYGDSC-SFYZADRCSA-N 1 0 277.195 3.087 20 10 CGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CCC[C@H]3C)C2)cc1 ZINC000818222895 632299281 /nfs/dbraw/zinc/29/92/81/632299281.db2.gz XTHTUJZIQXCOHU-RKVPGOIHSA-N 1 0 288.435 3.300 20 10 CGCDRO COc1cccc(C[NH2+][C@H]2C[C@]2(F)c2ccccc2)c1O ZINC000818231079 632300045 /nfs/dbraw/zinc/30/00/45/632300045.db2.gz UUGWTXQLWOWSMK-RDJZCZTQSA-N 1 0 287.334 3.128 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]C(C)(C)[C@H]2CCCCO2)c1 ZINC000865746893 632876656 /nfs/dbraw/zinc/87/66/56/632876656.db2.gz QPBMCSQLUPOZHJ-OAHLLOKOSA-N 1 0 263.381 3.138 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@H]2C[C@]2(F)c2ccccc2)c1 ZINC000822497826 632947463 /nfs/dbraw/zinc/94/74/63/632947463.db2.gz MCHHHNFRGWZJKQ-IRXDYDNUSA-N 1 0 287.334 3.128 20 10 CGCDRO Cc1cc(O)c(C[N@@H+](C)C[C@](C)(O)c2ccccc2)cc1C ZINC000822516026 632954291 /nfs/dbraw/zinc/95/42/91/632954291.db2.gz HQDAOBXZEICWAE-IBGZPJMESA-N 1 0 299.414 3.349 20 10 CGCDRO CCC[C@@H](CCO)[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000866414778 633127230 /nfs/dbraw/zinc/12/72/30/633127230.db2.gz KLXFLWGAVSAMQG-KBPBESRZSA-N 1 0 265.397 3.211 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)[C@H](C)O1 ZINC000866443377 633133347 /nfs/dbraw/zinc/13/33/47/633133347.db2.gz LDARBCFHSSYYKT-SFBVEUQXSA-N 1 0 279.355 3.235 20 10 CGCDRO C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@@H]1C)c1ccc(Cl)cc1O ZINC000866446703 633137066 /nfs/dbraw/zinc/13/70/66/633137066.db2.gz GSLHQMVYGYDHOC-PRFIWBCESA-N 1 0 269.772 3.262 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CC(C)(C)CC[C@H]1O)c1cc(F)ccc1O ZINC000866452469 633141893 /nfs/dbraw/zinc/14/18/93/633141893.db2.gz HNTSTNIWVYHFKA-WDBKCZKBSA-N 1 0 281.371 3.122 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCCN3C)C[C@H](C)O1 ZINC000823729389 633146144 /nfs/dbraw/zinc/14/61/44/633146144.db2.gz FGGHBSROKRPMJB-XOIINTDNSA-N 1 0 288.435 3.115 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc(C)o2)c1O ZINC000866478366 633150666 /nfs/dbraw/zinc/15/06/66/633150666.db2.gz IXKHVQUZIAFXSB-LLVKDONJSA-N 1 0 261.321 3.153 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)c2ccnn2C)c1O ZINC000866616157 633215674 /nfs/dbraw/zinc/21/56/74/633215674.db2.gz ZJMJJYWNBDKKFN-WDEREUQCSA-N 1 0 293.798 3.499 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCCn2nccc21)c1ccc(C)cc1O ZINC000866633512 633222571 /nfs/dbraw/zinc/22/25/71/633222571.db2.gz JCYRNPIYTUDVMZ-LSDHHAIUSA-N 1 0 285.391 3.473 20 10 CGCDRO CC[C@H](C[C@@H](C)O)[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000866635886 633223877 /nfs/dbraw/zinc/22/38/77/633223877.db2.gz UUJCMEROQNDOHF-CKYFFXLPSA-N 1 0 271.788 3.246 20 10 CGCDRO CC[N@@H+](Cc1cc(Cl)c(C)cc1O)C[C@H]1CCOC1 ZINC000824575137 633260444 /nfs/dbraw/zinc/26/04/44/633260444.db2.gz BTMSXQFBBLRJPJ-GFCCVEGCSA-N 1 0 283.799 3.212 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](F)C2)cc1 ZINC000824571960 633260741 /nfs/dbraw/zinc/26/07/41/633260741.db2.gz TVCLMRVBPHXKBH-CQSZACIVSA-N 1 0 250.361 3.077 20 10 CGCDRO CO[C@@H](C[NH2+]Cc1ccc(N(C)C)cc1)Cc1ccccc1 ZINC000824589891 633262636 /nfs/dbraw/zinc/26/26/36/633262636.db2.gz JGMBZKWBJCSTCP-LJQANCHMSA-N 1 0 298.430 3.100 20 10 CGCDRO Cc1cc(C[NH2+]Cc2cc(C)c(C)cc2O)ccn1 ZINC000824596832 633262907 /nfs/dbraw/zinc/26/29/07/633262907.db2.gz MDOZYGAYWWUQPV-UHFFFAOYSA-N 1 0 256.349 3.002 20 10 CGCDRO CCOCc1cc(C[NH2+]C[C@](C)(CC)OC)ccc1OC ZINC000824743634 633282172 /nfs/dbraw/zinc/28/21/72/633282172.db2.gz JVNNFIJQTMYBND-KRWDZBQOSA-N 1 0 295.423 3.136 20 10 CGCDRO COc1cc(O)c(C[NH2+]Cc2cc(C)cs2)cc1OC ZINC000824751331 633283385 /nfs/dbraw/zinc/28/33/85/633283385.db2.gz UEIPLYGSWYRUGH-UHFFFAOYSA-N 1 0 293.388 3.069 20 10 CGCDRO CCOc1ccc(C[NH2+]C[C@H]2CCCC2(F)F)c(O)c1 ZINC000824799050 633292385 /nfs/dbraw/zinc/29/23/85/633292385.db2.gz JXNUCJLWIARJQM-GFCCVEGCSA-N 1 0 285.334 3.316 20 10 CGCDRO CO[C@H]1CC[N@H+](Cc2c(O)ccc3ccccc32)C[C@H]1C ZINC000824815668 633294026 /nfs/dbraw/zinc/29/40/26/633294026.db2.gz WJYJLYFVBPQLQS-ACJLOTCBSA-N 1 0 285.387 3.402 20 10 CGCDRO C[C@H]([NH2+]CC(C)(C)CO)c1ccc2ccccc2c1O ZINC000122003104 633296868 /nfs/dbraw/zinc/29/68/68/633296868.db2.gz QESXXUXHXTZGRB-LBPRGKRZSA-N 1 0 273.376 3.215 20 10 CGCDRO CCOC[C@H]1CC[N@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000824906319 633304291 /nfs/dbraw/zinc/30/42/91/633304291.db2.gz NKCYOUZHUKFRJY-LBPRGKRZSA-N 1 0 283.799 3.212 20 10 CGCDRO COc1cc(O)c(C[NH2+]C23CCC(CC2)CC3)cc1OC ZINC000824936229 633307581 /nfs/dbraw/zinc/30/75/81/633307581.db2.gz VFCVPJIBACARJQ-UHFFFAOYSA-N 1 0 291.391 3.222 20 10 CGCDRO COc1cccc(C[N@@H+]2C[C@@H](C3CC3)[C@H]2C2CC2)c1O ZINC000824941360 633308894 /nfs/dbraw/zinc/30/88/94/633308894.db2.gz MSMRTWKOTJUFLN-GOEBONIOSA-N 1 0 273.376 3.021 20 10 CGCDRO Cc1csc(CC[NH2+]Cc2cc(Cl)c(C)cc2O)n1 ZINC000825102154 633328842 /nfs/dbraw/zinc/32/88/42/633328842.db2.gz JXCSZIMCZVKCLN-UHFFFAOYSA-N 1 0 296.823 3.451 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCc2ccc(O)cc2)cc1Cl ZINC000825159669 633332889 /nfs/dbraw/zinc/33/28/89/633332889.db2.gz GKSFBIDFLYQYHU-UHFFFAOYSA-N 1 0 291.778 3.392 20 10 CGCDRO COCC1(C[NH2+]Cc2ccc(N(C)C)cc2)CCCC1 ZINC000825245193 633338967 /nfs/dbraw/zinc/33/89/67/633338967.db2.gz GBMFEVHZYTYHMY-UHFFFAOYSA-N 1 0 276.424 3.049 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2C[C@H]2C2CC2)c1 ZINC000825250324 633339451 /nfs/dbraw/zinc/33/94/51/633339451.db2.gz YKYWKYCLLTXLMG-GMXABZIVSA-N 1 0 261.365 3.098 20 10 CGCDRO CC[C@@H](C)[C@@](C)(O)C[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825267441 633341099 /nfs/dbraw/zinc/34/10/99/633341099.db2.gz STICWFVMOHMSIC-ABAIWWIYSA-N 1 0 285.815 3.241 20 10 CGCDRO CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(C)c(C)cc1O ZINC000825299382 633343441 /nfs/dbraw/zinc/34/34/41/633343441.db2.gz JNEJOOMCIYPEHS-NVXWUHKLSA-N 1 0 277.408 3.446 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+]C(C)(C)CN2CCCC2)c1O ZINC000825326932 633346187 /nfs/dbraw/zinc/34/61/87/633346187.db2.gz PXVVYQYLLUJRJP-UHFFFAOYSA-N 1 0 296.842 3.318 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H](C)C2CCOCC2)cc1Cl ZINC000825347533 633348429 /nfs/dbraw/zinc/34/84/29/633348429.db2.gz NXTWEDWLFAXZQP-NSHDSACASA-N 1 0 283.799 3.259 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H](C)[C@@H]2CCCOC2)cc1Cl ZINC000825469061 633357047 /nfs/dbraw/zinc/35/70/47/633357047.db2.gz UXULNSRVTDBRIG-NWDGAFQWSA-N 1 0 283.799 3.259 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@]2(C)CCO[C@H]2C2CC2)cc1Cl ZINC000825502284 633358276 /nfs/dbraw/zinc/35/82/76/633358276.db2.gz VWCRLWJOZYELBZ-HOTGVXAUSA-N 1 0 295.810 3.401 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCO[C@H](C3CC3)C2)cc1Cl ZINC000825525509 633361803 /nfs/dbraw/zinc/36/18/03/633361803.db2.gz FVTULQUUJQWTCK-CJNGLKHVSA-N 1 0 295.810 3.401 20 10 CGCDRO CO[C@@H]1C[N@H+](Cc2cc(Cl)c(C)cc2O)CC[C@@H]1C ZINC000825633565 633368364 /nfs/dbraw/zinc/36/83/64/633368364.db2.gz AXUJUFLAMHZIJV-ZUZCIYMTSA-N 1 0 283.799 3.211 20 10 CGCDRO COc1cc(C[NH+]2CC(C)C2)c(O)c(C(C)(C)C)c1 ZINC000825744699 633378867 /nfs/dbraw/zinc/37/88/67/633378867.db2.gz OPLPJRVWKXLVQM-UHFFFAOYSA-N 1 0 263.381 3.150 20 10 CGCDRO CO[C@H]([C@@H](C)[NH2+]Cc1cc(Cl)c(C)cc1O)C1CC1 ZINC000826089362 633404605 /nfs/dbraw/zinc/40/46/05/633404605.db2.gz FRJOQWWOQGNRBI-MEBBXXQBSA-N 1 0 283.799 3.257 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H]2CS[C@@H](C)C2)cc1Cl ZINC000826120271 633406555 /nfs/dbraw/zinc/40/65/55/633406555.db2.gz ARGLVNQWFSDIBB-GXSJLCMTSA-N 1 0 271.813 3.338 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CC=C(C)CC3)C2)cc1 ZINC000826845077 633436954 /nfs/dbraw/zinc/43/69/54/633436954.db2.gz DXOWURMDSKBVIL-CVEARBPZSA-N 1 0 286.419 3.362 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H]1CCC[C@H](C)O1 ZINC000827251788 633475166 /nfs/dbraw/zinc/47/51/66/633475166.db2.gz NNEVJTCREZEQHE-WMLDXEAASA-N 1 0 276.424 3.108 20 10 CGCDRO Oc1cc(Br)ccc1C[NH2+][C@H]1[C@@H]2CCC[C@@H]21 ZINC000827482272 633493765 /nfs/dbraw/zinc/49/37/65/633493765.db2.gz UURSBPQNLNAIJO-PJXYFTJBSA-N 1 0 282.181 3.043 20 10 CGCDRO Oc1c(C[NH2+]CC2CCC(O)CC2)ccc2ccccc21 ZINC000827515931 633496283 /nfs/dbraw/zinc/49/62/83/633496283.db2.gz QWNLNNGCROIEBC-UHFFFAOYSA-N 1 0 285.387 3.186 20 10 CGCDRO COc1cc(O)c(C[NH2+]C2(CC(C)C)CC2)cc1OC ZINC000827642702 633506511 /nfs/dbraw/zinc/50/65/11/633506511.db2.gz BILPXBGPSZEVER-UHFFFAOYSA-N 1 0 279.380 3.078 20 10 CGCDRO Cc1cc(C[N@@H+](C)CC(C)(C)O)ccc1N1CCCCC1 ZINC000827834810 633523514 /nfs/dbraw/zinc/52/35/14/633523514.db2.gz ZNJVQRPFORZMAH-UHFFFAOYSA-N 1 0 290.451 3.188 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+]CCc2ccco2)c1O ZINC000123566976 633756140 /nfs/dbraw/zinc/75/61/40/633756140.db2.gz HRXUNSUEJVRWKP-UHFFFAOYSA-N 1 0 265.740 3.279 20 10 CGCDRO CC(C)OC1(C[NH2+][C@H](C)c2ccccc2O)CCC1 ZINC000872115648 634041991 /nfs/dbraw/zinc/04/19/91/634041991.db2.gz FVCAIZJBHMLTPH-CYBMUJFWSA-N 1 0 263.381 3.391 20 10 CGCDRO C[C@H]1C[C@H]([NH2+]CCC2(CO)CCC2)c2c1c(F)ccc2O ZINC000846210083 636159213 /nfs/dbraw/zinc/15/92/13/636159213.db2.gz JUUGTAZUXCQRJL-AAEUAGOBSA-N 1 0 293.382 3.222 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]C[C@@H]1COc3ccccc3C1)CC2 ZINC000834533838 634177185 /nfs/dbraw/zinc/17/71/85/634177185.db2.gz AWPAQTAAVSYEGL-CZUORRHYSA-N 1 0 295.382 3.220 20 10 CGCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H]3CSC[C@@H]3C1)CCC2 ZINC000872722113 634196576 /nfs/dbraw/zinc/19/65/76/634196576.db2.gz NRRWUJPOLHFDRJ-ZBFHGGJFSA-N 1 0 289.444 3.066 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1c(C)nn(C)c1C ZINC000834607331 634197340 /nfs/dbraw/zinc/19/73/40/634197340.db2.gz VEOZIJUZRIFZQY-HUUCEWRRSA-N 1 0 299.418 3.471 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@@H]1OCCc3ccccc31)CC2 ZINC000834645279 634206956 /nfs/dbraw/zinc/20/69/56/634206956.db2.gz AFEUNSBXYLVFBF-WMZOPIPTSA-N 1 0 295.382 3.283 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@H]2CCc3n[nH]cc3C2)cc1C ZINC000873055085 634238505 /nfs/dbraw/zinc/23/85/05/634238505.db2.gz DFJODMOSYKQCMZ-INIZCTEOSA-N 1 0 299.418 3.154 20 10 CGCDRO CCCN(CC)C[C@H](C)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834807930 634246067 /nfs/dbraw/zinc/24/60/67/634246067.db2.gz UXPKNZVWGMAALX-ZFWWWQNUSA-N 1 0 276.424 3.090 20 10 CGCDRO CCCOc1ccc(C[NH2+]CC2(CCO)CC2)cc1C ZINC000873109674 634246990 /nfs/dbraw/zinc/24/69/90/634246990.db2.gz BDDNGPSUFPPVIH-UHFFFAOYSA-N 1 0 277.408 3.036 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@H](C)C2(CO)CC2)cc1C ZINC000873136089 634256130 /nfs/dbraw/zinc/25/61/30/634256130.db2.gz TYTDZXAHXNNTLO-CQSZACIVSA-N 1 0 277.408 3.034 20 10 CGCDRO C[C@H](CCCCO)[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000834877109 634263259 /nfs/dbraw/zinc/26/32/59/634263259.db2.gz FYOTVAGVNOWVHR-LOWVWBTDSA-N 1 0 281.371 3.220 20 10 CGCDRO CC[C@@H]1C[C@H]1C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000834882687 634265730 /nfs/dbraw/zinc/26/57/30/634265730.db2.gz CTJPKJXWYAOKPJ-INMHGKMJSA-N 1 0 288.435 3.220 20 10 CGCDRO CCn1ccnc1[C@@H](C)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000834892683 634271411 /nfs/dbraw/zinc/27/14/11/634271411.db2.gz CMKRGFBWDPNQGO-GHMZBOCLSA-N 1 0 277.343 3.160 20 10 CGCDRO CCC1(C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)COC1 ZINC000834900639 634277900 /nfs/dbraw/zinc/27/79/00/634277900.db2.gz QJSDYHGSCLWNIW-ZDUSSCGKSA-N 1 0 263.381 3.086 20 10 CGCDRO CCc1ncc(C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)o1 ZINC000834900923 634278191 /nfs/dbraw/zinc/27/81/91/634278191.db2.gz UELZGFHUTOZZHQ-JOYOIKCWSA-N 1 0 290.338 3.420 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]CC(C)(C)C(C)(C)O)c(O)c1 ZINC000834902868 634279992 /nfs/dbraw/zinc/27/99/92/634279992.db2.gz DLZGJASEOFJXLM-ZDUSSCGKSA-N 1 0 279.424 3.457 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2CC[C@H](C)O2)c(O)c1 ZINC000834915936 634286700 /nfs/dbraw/zinc/28/67/00/634286700.db2.gz UWOBCXRWHJQXIU-MELADBBJSA-N 1 0 263.381 3.227 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2Cc3ccccc3CN2)c1 ZINC000873293259 634324310 /nfs/dbraw/zinc/32/43/10/634324310.db2.gz JXXDSMZFRBPSAJ-RHSMWYFYSA-N 1 0 296.414 3.066 20 10 CGCDRO CCO[C@H]1CCC[N@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835025439 634324570 /nfs/dbraw/zinc/32/45/70/634324570.db2.gz VMDZYHRHWSLINI-FZMUQLTDSA-N 1 0 288.435 3.267 20 10 CGCDRO CN(C)c1ccc(/C=C/C[N@H+](C)[C@@H]2CCSC2)cc1 ZINC000835026416 634325598 /nfs/dbraw/zinc/32/55/98/634325598.db2.gz VQBNLNZIFRISRL-DWTRPJMMSA-N 1 0 276.449 3.203 20 10 CGCDRO CC[C@H]([NH2+]C/C=C/c1ccc(N(C)C)cc1)[C@@H]1CCCO1 ZINC000835040410 634329348 /nfs/dbraw/zinc/32/93/48/634329348.db2.gz CCMPSFGECABNPQ-KEEVIKFDSA-N 1 0 288.435 3.313 20 10 CGCDRO C[C@H](C[C@@H]1CCOC1)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835041855 634330357 /nfs/dbraw/zinc/33/03/57/634330357.db2.gz FKKPSJZDXWTJBS-LUJIMGINSA-N 1 0 288.435 3.171 20 10 CGCDRO Cc1cncc(C[NH2+]C/C=C/c2ccc(N(C)C)cc2)c1 ZINC000835042704 634330786 /nfs/dbraw/zinc/33/07/86/634330786.db2.gz XBIRNQWLXCFCQA-SNAWJCMRSA-N 1 0 281.403 3.259 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@H]2CCCS2)cc1 ZINC000835042306 634330818 /nfs/dbraw/zinc/33/08/18/634330818.db2.gz IDTRLGVNCYYHJP-LLCTXKFZSA-N 1 0 276.449 3.251 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@@H]2CCC=CO2)cc1 ZINC000835044841 634331174 /nfs/dbraw/zinc/33/11/74/634331174.db2.gz GVLUOYYIXCRQEQ-RTRPANQVSA-N 1 0 272.392 3.048 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@@H]2CCSC2)cc1 ZINC000835051793 634337339 /nfs/dbraw/zinc/33/73/39/634337339.db2.gz JPEZRMWSCKVAMY-JZIMQPMSSA-N 1 0 276.449 3.109 20 10 CGCDRO CS[C@H]1CC[N@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835053906 634338346 /nfs/dbraw/zinc/33/83/46/634338346.db2.gz FWZMIZYOIKEIDV-APHBUQMISA-N 1 0 276.449 3.203 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+]CCC[C@@H]2CCOC2)cc1 ZINC000835053902 634338514 /nfs/dbraw/zinc/33/85/14/634338514.db2.gz FWAGTXLGWGWWRI-NJELEJDNSA-N 1 0 288.435 3.172 20 10 CGCDRO CCn1ccnc1[C@@H](C)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835055039 634339349 /nfs/dbraw/zinc/33/93/49/634339349.db2.gz PDWLRZDQDWPBIN-LQYUOIDQSA-N 1 0 298.434 3.333 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCc2ccc(F)cc2)c1 ZINC000019904121 634367805 /nfs/dbraw/zinc/36/78/05/634367805.db2.gz WAABBIAGVKTOJB-LBPRGKRZSA-N 1 0 289.350 3.433 20 10 CGCDRO Cc1ccc(C[N@H+]2CCC[C@@H]2c2cccn2C)c(O)c1 ZINC000876546249 634855085 /nfs/dbraw/zinc/85/50/85/634855085.db2.gz UJXLZPZJRPRHFH-MRXNPFEDSA-N 1 0 270.376 3.376 20 10 CGCDRO Cc1cccc(O)c1C[N@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000876634667 634872759 /nfs/dbraw/zinc/87/27/59/634872759.db2.gz YGKIKVYSDJOOAX-IBGZPJMESA-N 1 0 297.398 3.446 20 10 CGCDRO CCC(=O)Nc1cccc(C[NH2+]Cc2ccc(C)cc2O)c1 ZINC000876941767 634933785 /nfs/dbraw/zinc/93/37/85/634933785.db2.gz PYFAKPUDSJEQAP-UHFFFAOYSA-N 1 0 298.386 3.339 20 10 CGCDRO CCO[C@H]1C[C@@H]([NH2+]Cc2c(C)cccc2O)C12CCC2 ZINC000877043626 634961893 /nfs/dbraw/zinc/96/18/93/634961893.db2.gz MACSCDQXCNFCKW-CVEARBPZSA-N 1 0 275.392 3.138 20 10 CGCDRO CO[C@@H](C)c1nc(C[NH2+]Cc2c(C)cccc2O)cs1 ZINC000877074885 634972661 /nfs/dbraw/zinc/97/26/61/634972661.db2.gz UYSFBBUZLQGOOJ-NSHDSACASA-N 1 0 292.404 3.154 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]CCOCc1ccccc1 ZINC000877077428 634974426 /nfs/dbraw/zinc/97/44/26/634974426.db2.gz HSTCZXKWNCEMIZ-UHFFFAOYSA-N 1 0 271.360 3.007 20 10 CGCDRO Cc1ccc(C[NH2+]CCOCc2ccccc2)c(O)c1 ZINC000877077590 634975779 /nfs/dbraw/zinc/97/57/79/634975779.db2.gz OBFUDGDLSRFXQF-UHFFFAOYSA-N 1 0 271.360 3.007 20 10 CGCDRO Cc1ccc(C[NH2+][C@H]2CCO[C@H](CC(C)C)C2)c(O)c1 ZINC000877140940 635000296 /nfs/dbraw/zinc/00/02/96/635000296.db2.gz BTRKBCJDBBCEMZ-JKSUJKDBSA-N 1 0 277.408 3.384 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]C[C@H]1CCCCS1 ZINC000877303306 635021406 /nfs/dbraw/zinc/02/14/06/635021406.db2.gz DCDUOTDVVXWEMA-GFCCVEGCSA-N 1 0 251.395 3.076 20 10 CGCDRO CCOc1cccc(C[NH2+]C[C@]2(C)CCCS2)c1O ZINC000126474401 635026798 /nfs/dbraw/zinc/02/67/98/635026798.db2.gz AABNATHFQVYZNX-HNNXBMFYSA-N 1 0 281.421 3.166 20 10 CGCDRO Cc1csc([C@H](C)C[NH2+]Cc2c(C)cccc2O)n1 ZINC000877332589 635027971 /nfs/dbraw/zinc/02/79/71/635027971.db2.gz DPWUNIRHLDBPKN-LLVKDONJSA-N 1 0 276.405 3.359 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000877524411 635072273 /nfs/dbraw/zinc/07/22/73/635072273.db2.gz XLKPXWDOIJROLA-INIZCTEOSA-N 1 0 268.360 3.433 20 10 CGCDRO Cc1ccc(C[N@H+](C)Cc2ccc(O)cc2)c(O)c1 ZINC000877527324 635073627 /nfs/dbraw/zinc/07/36/27/635073627.db2.gz KHVYMHHIZNPJLO-UHFFFAOYSA-N 1 0 257.333 3.038 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC000840893505 635077155 /nfs/dbraw/zinc/07/71/55/635077155.db2.gz KCSPNFOYWPDOEL-YRBFXIGRSA-N 1 0 290.451 3.148 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCCc2occc2C1 ZINC000877537418 635078052 /nfs/dbraw/zinc/07/80/52/635078052.db2.gz KYRPXBGSLJBPPQ-UHFFFAOYSA-N 1 0 257.333 3.242 20 10 CGCDRO Cc1cc(C[C@@H](C)[NH2+]Cc2c(O)cc(C)cc2Cl)[nH]n1 ZINC000840908782 635079960 /nfs/dbraw/zinc/07/99/60/635079960.db2.gz JJUKBCTYHAUJPC-SNVBAGLBSA-N 1 0 293.798 3.106 20 10 CGCDRO CO[C@@H]1CCC[C@H]1C[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840908056 635080167 /nfs/dbraw/zinc/08/01/67/635080167.db2.gz NXYQBDXBNJDUTG-XHDPSFHLSA-N 1 0 283.799 3.259 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccc(O)c(F)c1 ZINC000840934186 635084777 /nfs/dbraw/zinc/08/47/77/635084777.db2.gz NTQAGESIXXNZGO-UHFFFAOYSA-N 1 0 288.366 3.196 20 10 CGCDRO COC1(C)CC[NH+](Cc2ccc(N(C)C)cc2C)CC1 ZINC000840938183 635085922 /nfs/dbraw/zinc/08/59/22/635085922.db2.gz YNXAEKWVXQTREQ-UHFFFAOYSA-N 1 0 276.424 3.062 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@](C)(O)CC2)c(Cl)c1 ZINC000840941362 635088253 /nfs/dbraw/zinc/08/82/53/635088253.db2.gz VKDDHQHLYNCRNA-OAHLLOKOSA-N 1 0 283.799 3.091 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCCOC(F)F)c(Cl)c1 ZINC000840943121 635088600 /nfs/dbraw/zinc/08/86/00/635088600.db2.gz CJYAHZIKPMMXJF-UHFFFAOYSA-N 1 0 279.714 3.073 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@@H+](CC1CCC1)[C@@H](C)CO ZINC000840943592 635089489 /nfs/dbraw/zinc/08/94/89/635089489.db2.gz VNUUZSMLFBKGLP-HNNXBMFYSA-N 1 0 290.451 3.044 20 10 CGCDRO CS[C@@H]1CC[N@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000840951179 635090728 /nfs/dbraw/zinc/09/07/28/635090728.db2.gz TVKGQBNIYCLVAD-SNVBAGLBSA-N 1 0 271.813 3.291 20 10 CGCDRO Cc1ccc(CC[NH2+]Cc2ccc(N(C)C)cc2C)nc1 ZINC000840953492 635092023 /nfs/dbraw/zinc/09/20/23/635092023.db2.gz SPLMXHFRYUXTLO-UHFFFAOYSA-N 1 0 283.419 3.097 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2C[C@H](O)C[C@@H]2c2ccccc2)c1 ZINC000840959609 635094108 /nfs/dbraw/zinc/09/41/08/635094108.db2.gz YYKSOMCEGIZBEH-IAGOWNOFSA-N 1 0 283.371 3.009 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@H](C)[C@](C)(OC)C2CC2)c1 ZINC000840961674 635094143 /nfs/dbraw/zinc/09/41/43/635094143.db2.gz XLNVCZJSDBXVHB-PXAZEXFGSA-N 1 0 293.407 3.084 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H]2CS[C@@H](C)C2)c(Cl)c1 ZINC000840959435 635094153 /nfs/dbraw/zinc/09/41/53/635094153.db2.gz VMSGPVXXRPDPMO-VHSXEESVSA-N 1 0 271.813 3.338 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](C)[C@](C)(OC)C2CC2)c1 ZINC000840961675 635094418 /nfs/dbraw/zinc/09/44/18/635094418.db2.gz XLNVCZJSDBXVHB-SJCJKPOMSA-N 1 0 293.407 3.084 20 10 CGCDRO COC1([C@H](C)[NH2+]C/C=C\c2ccc(N(C)C)cc2)CCC1 ZINC000840970134 635097491 /nfs/dbraw/zinc/09/74/91/635097491.db2.gz QAWBMQIOMDENOM-PKYBCLHXSA-N 1 0 288.435 3.313 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]C[C@@H]1CCCOC1 ZINC000840975701 635098780 /nfs/dbraw/zinc/09/87/80/635098780.db2.gz KNRCGDPQJNCSOX-CVEARBPZSA-N 1 0 290.451 3.008 20 10 CGCDRO CCOC[C@@H]1CCCC[N@@H+]1Cc1c(C)cccc1O ZINC000877584509 635102227 /nfs/dbraw/zinc/10/22/27/635102227.db2.gz GTNNQBQALIPSRA-AWEZNQCLSA-N 1 0 263.381 3.092 20 10 CGCDRO Cc1ccc(C[N@@H+]2C[C@@H](O)C[C@H]2c2ccccc2)c(O)c1 ZINC000877588573 635104314 /nfs/dbraw/zinc/10/43/14/635104314.db2.gz SRYGOIQFOQYCPC-IRXDYDNUSA-N 1 0 283.371 3.009 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CC2(CCOCC2)[C@H]1C(C)C ZINC000877591655 635104852 /nfs/dbraw/zinc/10/48/52/635104852.db2.gz WWTQMSDFNIQJKE-QGZVFWFLSA-N 1 0 289.419 3.338 20 10 CGCDRO Cc1cccc(O)c1C[NH2+][C@@H]1COCc2ccccc21 ZINC000877593778 635105760 /nfs/dbraw/zinc/10/57/60/635105760.db2.gz YFMHWODGXMOSAW-MRXNPFEDSA-N 1 0 269.344 3.062 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000877603022 635107909 /nfs/dbraw/zinc/10/79/09/635107909.db2.gz CANUCXPBLFKODE-GDBMZVCRSA-N 1 0 275.392 3.092 20 10 CGCDRO CCCN(CCC)c1ccc(CNCC(C)(C)[NH3+])cc1 ZINC000841031379 635109240 /nfs/dbraw/zinc/10/92/40/635109240.db2.gz RYRQEMXWNKGPET-UHFFFAOYSA-N 1 0 277.456 3.140 20 10 CGCDRO CCc1cccc(F)c1C[NH2+]CCc1ccc(N)cc1 ZINC000841038655 635110923 /nfs/dbraw/zinc/11/09/23/635110923.db2.gz NAPZIKKQJLEBJH-UHFFFAOYSA-N 1 0 272.367 3.303 20 10 CGCDRO Cc1ccc(C)c(C[NH2+]CCc2ccc(N)cc2)c1 ZINC000841036471 635110975 /nfs/dbraw/zinc/11/09/75/635110975.db2.gz OPEABEQMRYOLTF-UHFFFAOYSA-N 1 0 254.377 3.218 20 10 CGCDRO CCOc1ccc(CNc2ccccc2C[NH2+]C)c(O)c1 ZINC000841041935 635113670 /nfs/dbraw/zinc/11/36/70/635113670.db2.gz CHBXTMRAQZEWMG-UHFFFAOYSA-N 1 0 286.375 3.122 20 10 CGCDRO Oc1ccccc1C[N@H+]1CC[C@H](O)C[C@H]1c1ccccc1 ZINC000877673797 635141088 /nfs/dbraw/zinc/14/10/88/635141088.db2.gz RMDGFCSRZMCDRX-IRXDYDNUSA-N 1 0 283.371 3.090 20 10 CGCDRO Oc1ccccc1C[NH+]1CCC(Cc2nccs2)CC1 ZINC000877674561 635142554 /nfs/dbraw/zinc/14/25/54/635142554.db2.gz RPQMXLHUGDOLPC-UHFFFAOYSA-N 1 0 288.416 3.303 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]CC[C@H]1CCCS1 ZINC000877697291 635149146 /nfs/dbraw/zinc/14/91/46/635149146.db2.gz FDGQWIHHTZLTEW-GFCCVEGCSA-N 1 0 251.395 3.076 20 10 CGCDRO Cc1cccc(C[NH2+]Cc2cccc3c2CCOC3)c1O ZINC000877698175 635149340 /nfs/dbraw/zinc/14/93/40/635149340.db2.gz SGLJAAMUOUMSET-UHFFFAOYSA-N 1 0 283.371 3.063 20 10 CGCDRO Oc1cccc2c1C[N@H+](C[C@@H]1CCOc3ccccc31)C2 ZINC000877703156 635155221 /nfs/dbraw/zinc/15/52/21/635155221.db2.gz TZTQHDWKYLEILT-AWEZNQCLSA-N 1 0 281.355 3.274 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000877737329 635170248 /nfs/dbraw/zinc/17/02/48/635170248.db2.gz FMJCLIUINTUSIS-ZYHUDNBSSA-N 1 0 283.824 3.231 20 10 CGCDRO C[C@H](CC(=O)Nc1ccccc1)[NH2+][C@@H](C)c1ccccc1O ZINC000877757158 635186120 /nfs/dbraw/zinc/18/61/20/635186120.db2.gz JUORJFRBFZKPQL-KGLIPLIRSA-N 1 0 298.386 3.460 20 10 CGCDRO C[C@@H]([NH2+]Cc1cnn(C(C)(C)C)c1)c1ccccc1O ZINC000877756294 635186138 /nfs/dbraw/zinc/18/61/38/635186138.db2.gz FSAGCZONABKMST-GFCCVEGCSA-N 1 0 273.380 3.195 20 10 CGCDRO C[C@@H]([NH2+]C1CC(OC(C)(C)C)C1)c1ccccc1O ZINC000877756466 635186283 /nfs/dbraw/zinc/18/62/83/635186283.db2.gz KADOKLRGILUONP-PNESKVBLSA-N 1 0 263.381 3.389 20 10 CGCDRO COC1(C[C@H](C)[NH2+][C@@H](C)c2ccccc2O)CCC1 ZINC000877758272 635186858 /nfs/dbraw/zinc/18/68/58/635186858.db2.gz PZSYRDRYOOWTOV-STQMWFEESA-N 1 0 263.381 3.391 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]Cc1ncc(Cl)s1 ZINC000877806342 635209554 /nfs/dbraw/zinc/20/95/54/635209554.db2.gz FLOZUNGEWOPSHR-UHFFFAOYSA-N 1 0 268.769 3.100 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2c(O)ccc3ccncc32)[C@@H](C)[C@H]1C ZINC000841690677 635213026 /nfs/dbraw/zinc/21/30/26/635213026.db2.gz MWIGNFRQOIGYGI-AGIUHOORSA-N 1 0 270.376 3.417 20 10 CGCDRO C[C@H]([NH2+][C@H](CCO)c1ccco1)c1ccc(Cl)cc1O ZINC000841751685 635225370 /nfs/dbraw/zinc/22/53/70/635225370.db2.gz IQDVRAMIAPYVOP-GXFFZTMASA-N 1 0 295.766 3.413 20 10 CGCDRO COc1ccncc1C[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841753359 635226616 /nfs/dbraw/zinc/22/66/16/635226616.db2.gz HGKFRBHLASRXBA-SNVBAGLBSA-N 1 0 292.766 3.300 20 10 CGCDRO CO[C@H](C[NH2+][C@H](C)c1ccc(C)cc1O)CC(C)C ZINC000841755659 635229935 /nfs/dbraw/zinc/22/99/35/635229935.db2.gz KYCSBULAKHFACB-KGLIPLIRSA-N 1 0 265.397 3.412 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCn2ccnc21)c1ccc(Cl)cc1O ZINC000841758601 635231563 /nfs/dbraw/zinc/23/15/63/635231563.db2.gz TUYDGBMKNFSJTM-JOYOIKCWSA-N 1 0 277.755 3.038 20 10 CGCDRO CCc1cc(C[NH2+][C@H](C)c2ccc(Cl)cc2O)[nH]n1 ZINC000841765304 635234783 /nfs/dbraw/zinc/23/47/83/635234783.db2.gz XQTFELCBLYUBTN-SECBINFHSA-N 1 0 279.771 3.182 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cc(OC)c(OC)cc1O)[C@H]1CC1(C)C ZINC000841890978 635247448 /nfs/dbraw/zinc/24/74/48/635247448.db2.gz LJYLFPWQBNQEDU-CHWSQXEVSA-N 1 0 293.407 3.324 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCS[C@H]2C)c(Cl)c1 ZINC000842780989 635470662 /nfs/dbraw/zinc/47/06/62/635470662.db2.gz XJNFSEWZLKVHTP-CABZTGNLSA-N 1 0 271.813 3.338 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCS[C@@H]2C)c(Cl)c1 ZINC000842780991 635470893 /nfs/dbraw/zinc/47/08/93/635470893.db2.gz XJNFSEWZLKVHTP-SKDRFNHKSA-N 1 0 271.813 3.338 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CO[C@@H](C)C2)c1O ZINC000842927203 635514351 /nfs/dbraw/zinc/51/43/51/635514351.db2.gz CSRJCGTUTHFTNA-NHCYSSNCSA-N 1 0 269.772 3.182 20 10 CGCDRO CC(C)(C)c1n[nH]cc1CN1CCCc2cc(C[NH3+])ccc21 ZINC000843057704 635553118 /nfs/dbraw/zinc/55/31/18/635553118.db2.gz RKYPNTNUEFFPTF-UHFFFAOYSA-N 1 0 298.434 3.119 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000843416804 635662692 /nfs/dbraw/zinc/66/26/92/635662692.db2.gz YGNYXDOWWBBPKS-HNNXBMFYSA-N 1 0 299.370 3.054 20 10 CGCDRO CC(C)Oc1ccnc(C[NH2+][C@H](C)c2ccccc2O)c1 ZINC000879649718 635826669 /nfs/dbraw/zinc/82/66/69/635826669.db2.gz DMXHBNQAUULURT-CYBMUJFWSA-N 1 0 286.375 3.425 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@H](C)SC)cc1 ZINC000128182385 635908853 /nfs/dbraw/zinc/90/88/53/635908853.db2.gz XEYMVGDBUBVPHG-ZDUSSCGKSA-N 1 0 266.454 3.374 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CNc2ccccc2C1)c1ccc(N(C)C)cc1 ZINC000844919326 635983246 /nfs/dbraw/zinc/98/32/46/635983246.db2.gz FFESJZWZPGPAOT-YOEHRIQHSA-N 1 0 295.430 3.440 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CNc3ccccc3C2)c1 ZINC000844921555 635983895 /nfs/dbraw/zinc/98/38/95/635983895.db2.gz PLTQWHLHQRSGDG-UKRRQHHQSA-N 1 0 282.387 3.388 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(N(C)CC)cc1)[C@H]1CCCOC1 ZINC000880470200 636006546 /nfs/dbraw/zinc/00/65/46/636006546.db2.gz OCIRMTZJIPDPJI-WMZOPIPTSA-N 1 0 290.451 3.438 20 10 CGCDRO CC[C@]1(C)CCC[C@@H]1[NH2+]Cc1ccc(OC)cc1O ZINC000845966074 636125082 /nfs/dbraw/zinc/12/50/82/636125082.db2.gz FAIBFBXYFMWJHA-JKSUJKDBSA-N 1 0 263.381 3.459 20 10 CGCDRO COc1cccc(O)c1C[NH2+][C@@H]1C[C@H]1CC(C)(C)C ZINC000846025548 636131353 /nfs/dbraw/zinc/13/13/53/636131353.db2.gz ILTQUMTZXVSKTA-WCQYABFASA-N 1 0 263.381 3.315 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]C[C@H]2Cc3ccccc3O2)c1O ZINC000846137139 636148856 /nfs/dbraw/zinc/14/88/56/636148856.db2.gz ABGFECBAHHOFRH-TZMCWYRMSA-N 1 0 299.370 3.055 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]3OCC[C@@H]32)c1O ZINC000846150897 636149704 /nfs/dbraw/zinc/14/97/04/636149704.db2.gz SNYJKOPLKSGVSF-MYPMTAMASA-N 1 0 291.391 3.009 20 10 CGCDRO CCc1nc(C[NH2+][C@H](C)c2cccc(OC)c2O)cs1 ZINC000846146474 636149933 /nfs/dbraw/zinc/14/99/33/636149933.db2.gz QUFOFOZMXMZWHT-SNVBAGLBSA-N 1 0 292.404 3.271 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]CC2CCC(OC)CC2)c1O ZINC000846151162 636150298 /nfs/dbraw/zinc/15/02/98/636150298.db2.gz UTUUOHVXHUGXNG-HSBZDZAISA-N 1 0 293.407 3.257 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]Cc2ccc(Cl)cn2)c1O ZINC000846157523 636150659 /nfs/dbraw/zinc/15/06/59/636150659.db2.gz DJXJAFLJKCCHKU-JTQLQIEISA-N 1 0 292.766 3.300 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C2Cc3ccccc3C2)c1O ZINC000846165554 636151297 /nfs/dbraw/zinc/15/12/97/636151297.db2.gz ORWZIILXNRHJHA-LBPRGKRZSA-N 1 0 283.371 3.219 20 10 CGCDRO CC[C@H](C)[C@@H](C[NH2+][C@H](C)c1cccc(OC)c1O)OC ZINC000846172629 636153584 /nfs/dbraw/zinc/15/35/84/636153584.db2.gz ZOOPAJGKQQNBCW-YWPYICTPSA-N 1 0 281.396 3.113 20 10 CGCDRO C[C@@H]([NH2+][C@H](C1CC1)C1CCOCC1)c1ccccc1O ZINC000846188489 636156355 /nfs/dbraw/zinc/15/63/55/636156355.db2.gz POUTXDQLGKTILX-SJKOYZFVSA-N 1 0 275.392 3.248 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCO[C@H](c2ccncc2)C1)c1ccccc1O ZINC000846202533 636158013 /nfs/dbraw/zinc/15/80/13/636158013.db2.gz VXGSFEFFSGJHLT-SIIHOXLZSA-N 1 0 298.386 3.358 20 10 CGCDRO CSC[C@H]1CCC[N@@H+]1Cc1cc(C)c(C)cc1O ZINC000130911140 636528700 /nfs/dbraw/zinc/52/87/00/636528700.db2.gz ZQIDTRGQYWZVRX-CQSZACIVSA-N 1 0 265.422 3.336 20 10 CGCDRO COc1c(C)cccc1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000848560864 636606626 /nfs/dbraw/zinc/60/66/26/636606626.db2.gz RQIMDODLFLCGIM-HNNXBMFYSA-N 1 0 283.371 3.486 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+]CCc2ccns2)cc1 ZINC000883240363 636610259 /nfs/dbraw/zinc/61/02/59/636610259.db2.gz QVIJFHLVPKIYKU-ONEGZZNKSA-N 1 0 287.432 3.055 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)c1ccccc1O)[C@@H]1CCCCO1 ZINC000848567865 636610583 /nfs/dbraw/zinc/61/05/83/636610583.db2.gz RHENRQHEOPWVKB-INWMFGNUSA-N 1 0 263.381 3.391 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN3CCCC[C@H]23)c(O)c1 ZINC000848568405 636610727 /nfs/dbraw/zinc/61/07/27/636610727.db2.gz HTMNOXHKQUKBST-USXIJHARSA-N 1 0 288.435 3.368 20 10 CGCDRO CCOc1ccc(C[NH2+][C@H](CC)[C@@H]2CCCCO2)c(O)c1 ZINC000848574423 636613456 /nfs/dbraw/zinc/61/34/56/636613456.db2.gz FDUVITXGONPEHH-WBVHZDCISA-N 1 0 293.407 3.228 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(OC)c(C)c1)[C@@H]1CCCCO1 ZINC000848575169 636613471 /nfs/dbraw/zinc/61/34/71/636613471.db2.gz LJROCVXZVBWZCF-RDJZCZTQSA-N 1 0 277.408 3.441 20 10 CGCDRO CC[C@@H]1CO[C@@H](C)CN1Cc1c(O)cccc1Cl ZINC000131501528 636670126 /nfs/dbraw/zinc/67/01/26/636670126.db2.gz JNBRIRGVTBBWHP-WDEREUQCSA-N 1 0 269.772 3.045 20 10 CGCDRO CCc1cccc(C[NH2+]Cc2c(C)nn(CC)c2C)c1O ZINC000848894021 636678996 /nfs/dbraw/zinc/67/89/96/636678996.db2.gz DXYYIGDGVLSGHO-UHFFFAOYSA-N 1 0 287.407 3.078 20 10 CGCDRO CCc1cccc(C[NH2+][C@H]2CCCc3[nH]c(=O)ccc32)c1O ZINC000848892688 636679105 /nfs/dbraw/zinc/67/91/05/636679105.db2.gz DUJNBMNWSRFPEW-HNNXBMFYSA-N 1 0 298.386 3.222 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@H](O)c2ccccc2C)c1O ZINC000848895909 636679753 /nfs/dbraw/zinc/67/97/53/636679753.db2.gz RNKUZQALNCYXCX-KRWDZBQOSA-N 1 0 285.387 3.086 20 10 CGCDRO CCc1cccc(C[NH2+][C@H](CC)C2CCOCC2)c1O ZINC000848897381 636679870 /nfs/dbraw/zinc/67/98/70/636679870.db2.gz HUAVATOVRXORPQ-MRXNPFEDSA-N 1 0 277.408 3.249 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H](C)Cc2ccncc2)c1O ZINC000848897785 636680728 /nfs/dbraw/zinc/68/07/28/636680728.db2.gz LUKDQBDQTFXSGB-ZDUSSCGKSA-N 1 0 270.376 3.070 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H](C)[C@@H](O)Cc2ccccc2)c1O ZINC000848898846 636680755 /nfs/dbraw/zinc/68/07/55/636680755.db2.gz HTYDVHVXOBIYON-KSSFIOAISA-N 1 0 299.414 3.036 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCC[C@@H]2C2CCOCC2)c1O ZINC000848900944 636681422 /nfs/dbraw/zinc/68/14/22/636681422.db2.gz RVBWVRRLZUPZPM-QGZVFWFLSA-N 1 0 289.419 3.346 20 10 CGCDRO CCc1cccc(CN2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c1O ZINC000848910521 636686286 /nfs/dbraw/zinc/68/62/86/636686286.db2.gz KYZKSISQDYKBEI-YOEHRIQHSA-N 1 0 288.435 3.013 20 10 CGCDRO CCc1cccc(C[N@@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c1O ZINC000848912879 636687668 /nfs/dbraw/zinc/68/76/68/636687668.db2.gz LEZSKIJSSSTVMM-WBVHZDCISA-N 1 0 289.419 3.344 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@H](Cc2ccccc2)OC)c1O ZINC000848915307 636688753 /nfs/dbraw/zinc/68/87/53/636688753.db2.gz FSEDICYEOJYVDA-SFHVURJKSA-N 1 0 299.414 3.302 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCC[C@@](C)(F)C2)c1O ZINC000848914009 636688815 /nfs/dbraw/zinc/68/88/15/636688815.db2.gz GNYUYJRRZNUQJT-OAHLLOKOSA-N 1 0 251.345 3.279 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC[C@]23CCCO3)c1 ZINC000883366628 636708056 /nfs/dbraw/zinc/70/80/56/636708056.db2.gz XKUIMFWCOAMCHZ-XKQJLSEDSA-N 1 0 275.392 3.453 20 10 CGCDRO CCC[NH+](CCC)Cc1cccc(OCC)c1O ZINC000131972248 636770726 /nfs/dbraw/zinc/77/07/26/636770726.db2.gz JGKDOUYIDVPAIN-UHFFFAOYSA-N 1 0 251.370 3.413 20 10 CGCDRO CCn1cc([C@@H](C)[NH2+]CCCSc2nccs2)cn1 ZINC000132241083 636796728 /nfs/dbraw/zinc/79/67/28/636796728.db2.gz NGTBDHFTGIWNNF-LLVKDONJSA-N 1 0 296.465 3.193 20 10 CGCDRO COc1cccc2cc(C[NH2+]Cc3ccccc3O)oc21 ZINC000134236731 637008540 /nfs/dbraw/zinc/00/85/40/637008540.db2.gz HMCHEXROQBIJGL-UHFFFAOYSA-N 1 0 283.327 3.437 20 10 CGCDRO CCOc1ccc(C[NH2+][C@H](CC)COCC2CC2)c(O)c1 ZINC000850349378 637022796 /nfs/dbraw/zinc/02/27/96/637022796.db2.gz GCHNHTBZIWDHKO-OAHLLOKOSA-N 1 0 293.407 3.086 20 10 CGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)CC(C)C)C2)cc1 ZINC000850346701 637022832 /nfs/dbraw/zinc/02/28/32/637022832.db2.gz XENQKGKIAAQMAD-LSDHHAIUSA-N 1 0 276.424 3.298 20 10 CGCDRO CC[C@H](COCC1CC1)[NH2+]Cc1cc(Cl)ccc1O ZINC000850350049 637023010 /nfs/dbraw/zinc/02/30/10/637023010.db2.gz NNAXMBSIBCNNIB-CQSZACIVSA-N 1 0 283.799 3.340 20 10 CGCDRO CC(C)(F)CC[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000850374487 637037396 /nfs/dbraw/zinc/03/73/96/637037396.db2.gz KNYOSNIASGILEN-UHFFFAOYSA-N 1 0 263.715 3.413 20 10 CGCDRO CCCN(C)CC(C)(C)[NH2+]Cc1cccc(OCC)c1O ZINC000850410531 637053074 /nfs/dbraw/zinc/05/30/74/637053074.db2.gz VYGBIWOLWSYYNH-UHFFFAOYSA-N 1 0 294.439 3.001 20 10 CGCDRO Fc1ccc2c(c1)C[C@@H]1[C@@H]([NH2+]Cc3ccc4c(c3)CCO4)[C@H]21 ZINC000850409734 637053168 /nfs/dbraw/zinc/05/31/68/637053168.db2.gz ZJVGWFBKEISHKR-QXAKKESOSA-N 1 0 295.357 3.189 20 10 CGCDRO C[C@@H]([NH2+][C@H](CO)C1CCC1)c1ccc2ccccc2c1O ZINC000850487960 637087896 /nfs/dbraw/zinc/08/78/96/637087896.db2.gz JYBQANFREHTVDC-SJKOYZFVSA-N 1 0 285.387 3.357 20 10 CGCDRO CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850487078 637087968 /nfs/dbraw/zinc/08/79/68/637087968.db2.gz FGIVKDXVKVVZQV-VKJFTORMSA-N 1 0 288.435 3.442 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](CO)C1CCC1)c1cc(Cl)ccc1O ZINC000850487320 637088047 /nfs/dbraw/zinc/08/80/47/637088047.db2.gz HNEYJWJCDZYYLG-KGLIPLIRSA-N 1 0 283.799 3.247 20 10 CGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H]3CCC3(C)C)C2)cc1 ZINC000850489067 637088874 /nfs/dbraw/zinc/08/88/74/637088874.db2.gz PVWIJZREIRRDKE-CZUORRHYSA-N 1 0 274.408 3.052 20 10 CGCDRO C[C@@H]([NH2+][C@H]1C=CCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000850511888 637097343 /nfs/dbraw/zinc/09/73/43/637097343.db2.gz QAORAPVSBUPHGE-HIFRSBDPSA-N 1 0 290.382 3.032 20 10 CGCDRO CCO[C@H]1C[C@H]([NH2+][C@@H](C)c2cc(Cl)ccc2O)C1 ZINC000850515432 637098990 /nfs/dbraw/zinc/09/89/90/637098990.db2.gz XXOLEKGLTONNFV-DLOVCJGASA-N 1 0 269.772 3.264 20 10 CGCDRO C[C@H]([NH2+]CCO[C@H]1CC1(F)F)c1ccc(Cl)cc1O ZINC000850521231 637100412 /nfs/dbraw/zinc/10/04/12/637100412.db2.gz ROTDINCJCIMTQW-UFBFGSQYSA-N 1 0 291.725 3.120 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2c(C3CC3)cnn2C)c(O)c1C ZINC000850535037 637111047 /nfs/dbraw/zinc/11/10/47/637111047.db2.gz PYHTVMJZDULZGF-CYBMUJFWSA-N 1 0 299.418 3.471 20 10 CGCDRO CC[C@@H]([NH2+]Cc1c(C2CC2)cnn1C)c1ccccc1O ZINC000850535708 637112412 /nfs/dbraw/zinc/11/24/12/637112412.db2.gz ZQMFFTKOTYQSLK-OAHLLOKOSA-N 1 0 285.391 3.244 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCN(C2CCCCC2)C1)c1ccccc1O ZINC000850538750 637113914 /nfs/dbraw/zinc/11/39/14/637113914.db2.gz LAESSEOKSYZCDW-LSDHHAIUSA-N 1 0 288.435 3.450 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CC2CCC(O)CC2)cc1 ZINC000850553924 637119332 /nfs/dbraw/zinc/11/93/32/637119332.db2.gz DXSYKAHKNDEBGJ-SYJJWHGVSA-N 1 0 290.451 3.344 20 10 CGCDRO CO[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000885953793 637329469 /nfs/dbraw/zinc/32/94/69/637329469.db2.gz GEBQDHCPVQMEGD-LSDHHAIUSA-N 1 0 294.414 3.329 20 10 CGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H]1C[C@]12CCOC2 ZINC000886027862 637372802 /nfs/dbraw/zinc/37/28/02/637372802.db2.gz JPUAWOFVMSXKCQ-RDJZCZTQSA-N 1 0 275.392 3.031 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1CC[C@@H](C2CC2)O1)c1ccccc1O ZINC000886310181 637494303 /nfs/dbraw/zinc/49/43/03/637494303.db2.gz GGRPUYJONVOEGV-KFNAQCHYSA-N 1 0 261.365 3.000 20 10 CGCDRO C[C@]1(C[NH2+]Cc2ccccc2O)CCOC2(CCC2)C1 ZINC000886345128 637506890 /nfs/dbraw/zinc/50/68/90/637506890.db2.gz SGZORVKVFZWWQE-INIZCTEOSA-N 1 0 275.392 3.221 20 10 CGCDRO Cc1csc(CN[C@@H](C)c2c(O)cccc2F)n1 ZINC000886498944 637543327 /nfs/dbraw/zinc/54/33/27/637543327.db2.gz VGNZXLYEEYYAKB-VIFPVBQESA-N 1 0 266.341 3.147 20 10 CGCDRO c1csc(SCCC[NH2+][C@@H]2CCc3cccnc32)n1 ZINC000886528219 637554765 /nfs/dbraw/zinc/55/47/65/637554765.db2.gz ISBATEZSGSVSRS-GFCCVEGCSA-N 1 0 291.445 3.297 20 10 CGCDRO CC[NH+]1CCC(CC[NH2+][C@@H](C)c2c([O-])cccc2F)CC1 ZINC000886532867 637558245 /nfs/dbraw/zinc/55/82/45/637558245.db2.gz QBSAQCSUYHDAIC-ZDUSSCGKSA-N 1 0 294.414 3.304 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1c([O-])cccc1F ZINC000886536357 637562428 /nfs/dbraw/zinc/56/24/28/637562428.db2.gz GHMSNMDZSHXDGM-YNEHKIRRSA-N 1 0 280.387 3.055 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CC[C@H](C)C2)c1 ZINC000300309811 637831437 /nfs/dbraw/zinc/83/14/37/637831437.db2.gz ODVVTRMBWOGUOU-RWMBFGLXSA-N 1 0 263.381 3.488 20 10 CGCDRO CCCC(C)(C)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000111387355 637859958 /nfs/dbraw/zinc/85/99/58/637859958.db2.gz ITUCSCKSDLAJOT-UHFFFAOYSA-N 1 0 294.414 3.331 20 10 CGCDRO COc1ccc(C[NH2+]C[C@H]2C[C@H]2c2ccccc2)c(O)c1 ZINC000111398377 637861956 /nfs/dbraw/zinc/86/19/56/637861956.db2.gz BDGHTDRUGAOUTR-WBVHZDCISA-N 1 0 283.371 3.294 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@H+]2C[C@H](C)O[C@@](C)(C(F)F)C2)c1 ZINC000853630090 637876614 /nfs/dbraw/zinc/87/66/14/637876614.db2.gz NJVFMHBQHZFDAY-BLLLJJGKSA-N 1 0 299.361 3.254 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CCc2cc(N)ccc21)c1ccccc1O ZINC000854225356 638027610 /nfs/dbraw/zinc/02/76/10/638027610.db2.gz DJECUFWNAXSQOW-BZNIZROVSA-N 1 0 268.360 3.313 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]C[C@H]2CCN(c3ccccc3)C2)c1 ZINC000113320994 638199770 /nfs/dbraw/zinc/19/97/70/638199770.db2.gz LRMFEIKNCMXSBI-MRXNPFEDSA-N 1 0 296.414 3.317 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCCC[C@@H]2CCCO)cc1 ZINC000924574283 638365285 /nfs/dbraw/zinc/36/52/85/638365285.db2.gz NEIOCMHSIGIRIH-AEFFLSMTSA-N 1 0 290.451 3.174 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)c2ccnnc2)cc1 ZINC000924710562 638392236 /nfs/dbraw/zinc/39/22/36/638392236.db2.gz LXKCOSXCTFLQRA-CQSZACIVSA-N 1 0 284.407 3.174 20 10 CGCDRO OCCC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000924900475 638422919 /nfs/dbraw/zinc/42/29/19/638422919.db2.gz NOQICKNQLQRRJT-DOTOQJQBSA-N 1 0 289.419 3.042 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2Cc3ccccc3CO2)cc1C ZINC000858212284 638657930 /nfs/dbraw/zinc/65/79/30/638657930.db2.gz QUFNPMAXGWAZEX-SFHVURJKSA-N 1 0 297.398 3.240 20 10 CGCDRO CC(C)CC[C@H](CO)[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000858485639 638737715 /nfs/dbraw/zinc/73/77/15/638737715.db2.gz NUEUHGDKAAENRP-YRGRVCCFSA-N 1 0 295.398 3.466 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)c(O)c1C ZINC000926938185 638827281 /nfs/dbraw/zinc/82/72/81/638827281.db2.gz UBBFXEBWFQPEAU-JONQDZQNSA-N 1 0 287.403 3.251 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]3OC(C)(C)O[C@H]3C2)c(O)c1 ZINC000927053124 638835443 /nfs/dbraw/zinc/83/54/43/638835443.db2.gz AKZIIFFOHPKJHP-GVAFMPQTSA-N 1 0 291.391 3.034 20 10 CGCDRO CC(C)[C@@H]([NH2+][C@H](C)c1ccccc1O)c1cnn(C)c1 ZINC000927072177 638838356 /nfs/dbraw/zinc/83/83/56/638838356.db2.gz WVZUHQQDDRRUNZ-MLGOLLRUSA-N 1 0 273.380 3.174 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C2([C@H]3CCCCO3)CC2)c1O ZINC000927161715 638849251 /nfs/dbraw/zinc/84/92/51/638849251.db2.gz YXLFGPGJLHVNNU-SWLSCSKDSA-N 1 0 291.391 3.153 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]C2([C@@H]3CCCCO3)CC2)c1O ZINC000927161711 638849276 /nfs/dbraw/zinc/84/92/76/638849276.db2.gz YXLFGPGJLHVNNU-DOMZBBRYSA-N 1 0 291.391 3.153 20 10 CGCDRO COc1ccc(N2CCC[N@@H+]([C@@H](C)C3CC3)CC2)cc1 ZINC000929315396 638918085 /nfs/dbraw/zinc/91/80/85/638918085.db2.gz ITDSNOWNWDQMPB-AWEZNQCLSA-N 1 0 274.408 3.006 20 10 CGCDRO CO[C@H]1C[C@@H](C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)C1 ZINC000858592775 638999243 /nfs/dbraw/zinc/99/92/43/638999243.db2.gz LBWUNOIOJKGIKH-DCQANWLSSA-N 1 0 279.355 3.094 20 10 CGCDRO Cc1cc(C[NH+]2CCC(c3ncco3)CC2)ccc1N(C)C ZINC000931443984 639149909 /nfs/dbraw/zinc/14/99/09/639149909.db2.gz KISHBYFVYMPHTH-UHFFFAOYSA-N 1 0 299.418 3.429 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1CC[C@@H](C(F)(F)F)O1)c1ccccc1O ZINC000931553704 639169575 /nfs/dbraw/zinc/16/95/75/639169575.db2.gz GUTHFGUCVSOHFX-BREBYQMCSA-N 1 0 289.297 3.153 20 10 CGCDRO C[C@H]([NH2+]CCSc1ccncc1)c1ccccc1O ZINC000931558187 639170885 /nfs/dbraw/zinc/17/08/85/639170885.db2.gz RNIVDQUYBOEDLQ-LBPRGKRZSA-N 1 0 274.389 3.230 20 10 CGCDRO CCN(C)c1ccc(C[NH2+][C@@H](C)c2ccns2)cc1 ZINC000860061768 639276534 /nfs/dbraw/zinc/27/65/34/639276534.db2.gz NKUYVFZCJGZDFI-LBPRGKRZSA-N 1 0 275.421 3.450 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCN2CCCCCC2)c(O)c1 ZINC000040767561 639896312 /nfs/dbraw/zinc/89/63/12/639896312.db2.gz KERGIGIWBSIFTK-HNNXBMFYSA-N 1 0 276.424 3.227 20 10 CGCDRO COC[C@@H](C)C[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000187882207 640103937 /nfs/dbraw/zinc/10/39/37/640103937.db2.gz OCHIRZQMXVJWOD-INIZCTEOSA-N 1 0 290.451 3.295 20 10 CGCDRO CC(C)C(C)(C)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000189469562 640194366 /nfs/dbraw/zinc/19/43/66/640194366.db2.gz QEYBMRRPFIBCRB-UHFFFAOYSA-N 1 0 290.451 3.295 20 10 CGCDRO CC[C@@]1(C)C[N@H+](Cc2cc(C)c(C)cc2O)CCO1 ZINC000190350686 640242580 /nfs/dbraw/zinc/24/25/80/640242580.db2.gz CAXYTJIDUBLTKB-INIZCTEOSA-N 1 0 263.381 3.010 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@H+]2CCSC[C@H](C)C2)c1 ZINC000192181151 640356078 /nfs/dbraw/zinc/35/60/78/640356078.db2.gz QAADGMGKZUGIPB-GFCCVEGCSA-N 1 0 265.422 3.194 20 10 CGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@H](C)C(C)(C)C)c1O ZINC000079434951 640402539 /nfs/dbraw/zinc/40/25/39/640402539.db2.gz WGXGZLMGQATOHP-SNVBAGLBSA-N 1 0 267.344 3.258 20 10 CGCDRO CC[C@H]([NH2+]Cc1cc(OC)ccc1O)c1nccs1 ZINC000080256393 640459200 /nfs/dbraw/zinc/45/92/00/640459200.db2.gz MIPNHDSBQZXJOD-LBPRGKRZSA-N 1 0 278.377 3.098 20 10 CGCDRO Oc1ccccc1C[N@H+](C[C@H]1CCCO1)[C@@H]1C=CCCC1 ZINC000245828132 640641172 /nfs/dbraw/zinc/64/11/72/640641172.db2.gz ZYGGNXSBADFOOT-IAGOWNOFSA-N 1 0 287.403 3.482 20 10 CGCDRO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000092737249 640744474 /nfs/dbraw/zinc/74/44/74/640744474.db2.gz WSJNCBGLFGYHOY-JKSUJKDBSA-N 1 0 288.435 3.144 20 10 CGCDRO CC[C@@H]1CCCCN1CC[NH2+][C@H](C)c1ccccc1O ZINC000248386862 640754300 /nfs/dbraw/zinc/75/43/00/640754300.db2.gz OCTKWDRVDRAHAL-HUUCEWRRSA-N 1 0 276.424 3.307 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)[C@@H]2CCCC[C@@H]21 ZINC000248410052 640756526 /nfs/dbraw/zinc/75/65/26/640756526.db2.gz DAKBWXDPCQLIFZ-MRVWCRGKSA-N 1 0 289.375 3.131 20 10 CGCDRO C[C@@H]([NH2+]CC1(O)CCC(C)CC1)c1cc(F)ccc1O ZINC000094618385 640800314 /nfs/dbraw/zinc/80/03/14/640800314.db2.gz XBHSVGBCLBXAQZ-BWBHSNQOSA-N 1 0 281.371 3.123 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]C[C@H](O)C1CCCCC1 ZINC000113334861 640976637 /nfs/dbraw/zinc/97/66/37/640976637.db2.gz MOYXJOQEWDYTKH-HNNXBMFYSA-N 1 0 283.799 3.076 20 10 CGCDRO CCCC[C@@H](O)C[N@H+](CC)Cc1ccc(N(C)C)cc1 ZINC001252098899 805994740 /nfs/dbraw/zinc/99/47/40/805994740.db2.gz XGMBWNVRSZTNJO-QGZVFWFLSA-N 1 0 278.440 3.126 20 10 CGCDRO O=C(c1ccccc1)c1cc(Cl)ccc1NC1=CC[NH2+]C1 ZINC001159443244 806103767 /nfs/dbraw/zinc/10/37/67/806103767.db2.gz MBQKXDXOTXVANK-UHFFFAOYSA-N 1 0 298.773 3.470 20 10 CGCDRO [NH3+]CCOc1ccc(Nc2ccc3c(c2)CCCN3)cc1 ZINC001159687119 806151652 /nfs/dbraw/zinc/15/16/52/806151652.db2.gz YEFMZPBSYHYIRW-UHFFFAOYSA-N 1 0 283.375 3.126 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)Cc2ccco2)c1 ZINC000036993773 798854428 /nfs/dbraw/zinc/85/44/28/798854428.db2.gz CEELXWCVTMDKIU-RYUDHWBXSA-N 1 0 275.348 3.276 20 10 CGCDRO Cc1n[nH]cc1C[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000038011157 798883230 /nfs/dbraw/zinc/88/32/30/798883230.db2.gz RBAPJNXQDZOQIE-LBPRGKRZSA-N 1 0 281.359 3.428 20 10 CGCDRO Cc1n[nH]cc1C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC000038011185 798883836 /nfs/dbraw/zinc/88/38/36/798883836.db2.gz MYIRJVBDRDHGFA-MFKMUULPSA-N 1 0 271.364 3.070 20 10 CGCDRO CC[NH+](CC)C1CCN(Cc2cc(C)ccc2O)CC1 ZINC000121723542 798989121 /nfs/dbraw/zinc/98/91/21/798989121.db2.gz HITJQENVGFSYAO-UHFFFAOYSA-N 1 0 276.424 3.007 20 10 CGCDRO Cc1cc(O)c(C[N@H+](C)Cc2ccc3c(c2)OCO3)cc1C ZINC000126417365 799006643 /nfs/dbraw/zinc/00/66/43/799006643.db2.gz KCIFZVVKBTZYIN-UHFFFAOYSA-N 1 0 299.370 3.370 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CCOCC(F)F ZINC000231689416 799140831 /nfs/dbraw/zinc/14/08/31/799140831.db2.gz VZWXRRLGXRPVIA-MNOVXSKESA-N 1 0 285.334 3.120 20 10 CGCDRO COc1cccc(C[N@@H+]2CC[C@H]3CCCC[C@H]3C2)c1O ZINC000250410520 799162329 /nfs/dbraw/zinc/16/23/29/799162329.db2.gz YEDOJHPOOKVNGV-KGLIPLIRSA-N 1 0 275.392 3.413 20 10 CGCDRO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](C)[C@@H]2C)c1O ZINC000380690384 799365609 /nfs/dbraw/zinc/36/56/09/799365609.db2.gz BREIUXNSBRKLSI-ZJUUUORDSA-N 1 0 281.783 3.479 20 10 CGCDRO CC[C@@H](C)[C@@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)OC ZINC000381120114 799372959 /nfs/dbraw/zinc/37/29/59/799372959.db2.gz FBQVSKFXSFPNBX-CRAIPNDOSA-N 1 0 290.451 3.438 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@H]1Cc3ccccc31)CC2 ZINC000381211476 799374456 /nfs/dbraw/zinc/37/44/56/799374456.db2.gz VEQXEOXGAHSJOX-ZBFHGGJFSA-N 1 0 265.356 3.309 20 10 CGCDRO FC1(F)CC(C[NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC000383180069 799399533 /nfs/dbraw/zinc/39/95/33/799399533.db2.gz MTLSRUCJFUAQDT-UHFFFAOYSA-N 1 0 280.362 3.422 20 10 CGCDRO CC[C@H]([NH2+]CC1CC(F)(F)C1)c1ccccc1O ZINC000383415720 799402977 /nfs/dbraw/zinc/40/29/77/799402977.db2.gz YJMAWBYUAVLCKY-LBPRGKRZSA-N 1 0 255.308 3.478 20 10 CGCDRO CC[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)CCCO1 ZINC000384714110 799419091 /nfs/dbraw/zinc/41/90/91/799419091.db2.gz GVENVYNEEICWCH-CYBMUJFWSA-N 1 0 269.772 3.047 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H](CO)C2CCCC2)cc1 ZINC000386178835 799432177 /nfs/dbraw/zinc/43/21/77/799432177.db2.gz OGKJYUUVFMTAEY-GOSISDBHSA-N 1 0 290.451 3.174 20 10 CGCDRO Cc1cccc(C[NH2+]C[C@H]2CCCC2(F)F)c1O ZINC000390667661 799473309 /nfs/dbraw/zinc/47/33/09/799473309.db2.gz NEOGXCJFONWJDS-GFCCVEGCSA-N 1 0 255.308 3.226 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H](CO)CC(C)(C)C)cc1 ZINC000393464967 799487244 /nfs/dbraw/zinc/48/72/44/799487244.db2.gz LIJPDFCNOYGNKW-INIZCTEOSA-N 1 0 292.467 3.420 20 10 CGCDRO CC(C)(C[NH2+]Cc1cc2c(cc1O)OCO2)C1CCC1 ZINC000395388992 799505035 /nfs/dbraw/zinc/50/50/35/799505035.db2.gz NXTAGWHFWHHRAI-UHFFFAOYSA-N 1 0 277.364 3.037 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]C[C@H](C)CC(F)(F)F)c1 ZINC000396947166 799512380 /nfs/dbraw/zinc/51/23/80/799512380.db2.gz MVFRGYZDPAPKCH-SNVBAGLBSA-N 1 0 261.287 3.379 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2cnc(C)cc2C)c1 ZINC000397051785 799513736 /nfs/dbraw/zinc/51/37/36/799513736.db2.gz LBXMQDIPIDNZPM-UHFFFAOYSA-N 1 0 256.349 3.002 20 10 CGCDRO CC1(C2([NH2+]Cc3cc(Cl)ccc3O)CC2)CC1 ZINC000398150164 799526640 /nfs/dbraw/zinc/52/66/40/799526640.db2.gz SVFCVGDIIUZKRA-UHFFFAOYSA-N 1 0 251.757 3.468 20 10 CGCDRO Oc1ccccc1C[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC000399263272 799536954 /nfs/dbraw/zinc/53/69/54/799536954.db2.gz UREDSCGPXXNMDU-SNVBAGLBSA-N 1 0 260.164 3.066 20 10 CGCDRO CC[C@H](C[NH2+]Cc1cc(OC)ccc1O)CC(F)(F)F ZINC000402587023 799563298 /nfs/dbraw/zinc/56/32/98/799563298.db2.gz XUDONKUYWBJWHU-JTQLQIEISA-N 1 0 291.313 3.469 20 10 CGCDRO CC[N@H+](Cc1cc(Cl)ccc1O)[C@@H]1CCCOC1 ZINC000402771926 799563938 /nfs/dbraw/zinc/56/39/38/799563938.db2.gz UEFDAILOFMSVTL-CYBMUJFWSA-N 1 0 269.772 3.047 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@]2(C)CC2(F)F)c(O)c1 ZINC000689213620 799761523 /nfs/dbraw/zinc/76/15/23/799761523.db2.gz HOYBVLCVYSSYSK-GWCFXTLKSA-N 1 0 255.308 3.397 20 10 CGCDRO CC[C@H]([NH2+]C[C@]1(C)CC1(F)F)c1ccccc1O ZINC000689213988 799762203 /nfs/dbraw/zinc/76/22/03/799762203.db2.gz LUQZEQPHTBXDHO-AAEUAGOBSA-N 1 0 255.308 3.478 20 10 CGCDRO C[C@H]([NH2+]C[C@]1(C)CC1(F)F)c1ccc(N(C)C)cc1 ZINC000689246699 799763608 /nfs/dbraw/zinc/76/36/08/799763608.db2.gz GSPFZOZQDOEOGV-FZMZJTMJSA-N 1 0 268.351 3.449 20 10 CGCDRO Cc1ccc(CC[NH2+][C@H](C)c2ccc(C)cc2O)o1 ZINC000689792192 799769345 /nfs/dbraw/zinc/76/93/45/799769345.db2.gz DNNDQPOPAFZOOO-CYBMUJFWSA-N 1 0 259.349 3.495 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H]1CCN1C(C)(C)C)c1ccccc1O ZINC000690377602 799775753 /nfs/dbraw/zinc/77/57/53/799775753.db2.gz UZXVZJKFJNFPDB-ZFWWWQNUSA-N 1 0 276.424 3.306 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]C[C@]23C[C@H]2CCC3)c1O ZINC000693525375 799812079 /nfs/dbraw/zinc/81/20/79/799812079.db2.gz JGGJWPNIWMOGOU-ABAIWWIYSA-N 1 0 281.783 3.334 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCN(C(C)(C)C)C1)c1cc(F)ccc1O ZINC000693914653 799818177 /nfs/dbraw/zinc/81/81/77/799818177.db2.gz YCLYCDXZVUDMGZ-AAEUAGOBSA-N 1 0 280.387 3.055 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](C(C)C)C2)c1 ZINC000694455037 799821629 /nfs/dbraw/zinc/82/16/29/799821629.db2.gz MVBFIRMMIGJMNV-CYBMUJFWSA-N 1 0 263.381 3.269 20 10 CGCDRO Cc1cccc(C[NH+]2CCC(OC(C)C)CC2)c1O ZINC000695088262 799825530 /nfs/dbraw/zinc/82/55/30/799825530.db2.gz AFNVCSWQDJTXRE-UHFFFAOYSA-N 1 0 263.381 3.090 20 10 CGCDRO COc1cccc(C[NH2+][C@@H]2CCCC[C@@H]2C2CC2)c1O ZINC000695889627 799835638 /nfs/dbraw/zinc/83/56/38/799835638.db2.gz FPFVZFUJHSNPMU-HUUCEWRRSA-N 1 0 275.392 3.459 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(Cl)o2)c1 ZINC000698122230 799852304 /nfs/dbraw/zinc/85/23/04/799852304.db2.gz YXLDJFOGOZQGJI-SECBINFHSA-N 1 0 281.739 3.498 20 10 CGCDRO C[C@H](CC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-])[NH+](C)C ZINC000700603348 799875702 /nfs/dbraw/zinc/87/57/02/799875702.db2.gz HPTSFUKOEKVQJN-SECBINFHSA-N 1 0 291.222 3.129 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CCCC(F)(F)CC2)c1O ZINC000702823718 799914822 /nfs/dbraw/zinc/91/48/22/799914822.db2.gz LFQZSTNXUBVHDA-UHFFFAOYSA-N 1 0 285.334 3.412 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@@H](OC)C2CCCC2)c1O ZINC000703030908 799917902 /nfs/dbraw/zinc/91/79/02/799917902.db2.gz LVJOULFRIFUHSD-MRXNPFEDSA-N 1 0 277.408 3.249 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]CC[C@H]1CCSC1 ZINC000704774495 799940543 /nfs/dbraw/zinc/94/05/43/799940543.db2.gz IEMLIAQUQHDONJ-JTQLQIEISA-N 1 0 271.813 3.278 20 10 CGCDRO CCC[C@H](C[NH2+][C@H](C)c1ccccc1O)OCC ZINC000705360591 799948025 /nfs/dbraw/zinc/94/80/25/799948025.db2.gz BLSXIQNSAUOEFM-CHWSQXEVSA-N 1 0 251.370 3.248 20 10 CGCDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(O)cc2O)CC(C)(C)C1 ZINC000708340875 799986907 /nfs/dbraw/zinc/98/69/07/799986907.db2.gz LAAUUKSALJJAHN-AAEUAGOBSA-N 1 0 263.381 3.402 20 10 CGCDRO CCc1cccc(C[NH2+]C(C)(C)COC(C)C)c1O ZINC000709489773 800009269 /nfs/dbraw/zinc/00/92/69/800009269.db2.gz FSHDUHCSQCSASF-UHFFFAOYSA-N 1 0 265.397 3.248 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]C[C@H]2CC(C)(C)OC2(C)C)c1 ZINC000709663706 800013634 /nfs/dbraw/zinc/01/36/34/800013634.db2.gz MFYCUYKSSUPHLD-CQSZACIVSA-N 1 0 277.408 3.384 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]C[C@@H]1CCC2(CCC2)O1 ZINC000711427517 800056815 /nfs/dbraw/zinc/05/68/15/800056815.db2.gz QAKCPUFLUFNWCB-NSHDSACASA-N 1 0 281.783 3.237 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CC(C)(C)CO2)c1 ZINC000717324649 800200305 /nfs/dbraw/zinc/20/03/05/800200305.db2.gz YVPVKRHBWDFKJS-OLZOCXBDSA-N 1 0 263.381 3.166 20 10 CGCDRO COC(C)(C)[C@H](C)[NH2+][C@H](C)c1cc(C)ccc1O ZINC000720200154 800253730 /nfs/dbraw/zinc/25/37/30/800253730.db2.gz BJBLUIGDEGRSDV-NEPJUHHUSA-N 1 0 251.370 3.165 20 10 CGCDRO CSC1CCC(C[NH2+]Cc2ccccc2O)CC1 ZINC000720584258 800263371 /nfs/dbraw/zinc/26/33/71/800263371.db2.gz PIORSFQLOJJYSH-UHFFFAOYSA-N 1 0 265.422 3.404 20 10 CGCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1scnc1Cl ZINC000721972915 800305606 /nfs/dbraw/zinc/30/56/06/800305606.db2.gz AWSIHZYMTLXVHJ-UHFFFAOYSA-N 1 0 293.823 3.208 20 10 CGCDRO COCc1ccc(C[NH2+]Cc2cc(Cl)ccc2O)o1 ZINC000824481545 800471277 /nfs/dbraw/zinc/47/12/77/800471277.db2.gz QUBJEEHSHRSFJW-UHFFFAOYSA-N 1 0 281.739 3.075 20 10 CGCDRO COc1cccc(C[C@H](C)[NH2+]Cc2cccc(C)c2O)c1 ZINC001256154511 806836915 /nfs/dbraw/zinc/83/69/15/806836915.db2.gz WEDUFHIYGCYZHX-AWEZNQCLSA-N 1 0 285.387 3.430 20 10 CGCDRO COc1cccc(C[C@@H](C)[N@H+](C)Cc2ccccc2O)c1 ZINC001256167248 806842833 /nfs/dbraw/zinc/84/28/33/806842833.db2.gz KHQZVQWOSCDUFH-CQSZACIVSA-N 1 0 285.387 3.464 20 10 CGCDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)[C@@H]1CCSC1 ZINC001116439638 802349321 /nfs/dbraw/zinc/34/93/21/802349321.db2.gz LBOPEUNSDBGDPD-MRXNPFEDSA-N 1 0 276.449 3.224 20 10 CGCDRO CS[C@H]1CC[C@@H]([N@H+](C)Cc2ccc(C)cc2O)C1 ZINC001119237386 802636535 /nfs/dbraw/zinc/63/65/35/802636535.db2.gz UVTRQKRBCDGHSI-KGLIPLIRSA-N 1 0 265.422 3.417 20 10 CGCDRO COc1cc(C)cc(C[N@H+](C)[C@H]2CC[C@@H](SC)C2)c1O ZINC001119496079 802672064 /nfs/dbraw/zinc/67/20/64/802672064.db2.gz HAAOZMBFZINISQ-UONOGXRCSA-N 1 0 295.448 3.425 20 10 CGCDRO COc1ccc(C[N@@H+]2CCC[C@@H](C(C)C)C2)c(O)c1OC ZINC001119959645 802714405 /nfs/dbraw/zinc/71/44/05/802714405.db2.gz UYGBISSGBHAEGM-CYBMUJFWSA-N 1 0 293.407 3.277 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCCC(F)F)cc1Cl ZINC001119977910 802718979 /nfs/dbraw/zinc/71/89/79/802718979.db2.gz VDILHOJATVKTHR-UHFFFAOYSA-N 1 0 263.715 3.489 20 10 CGCDRO Cc1cc(C[N@@H+]2CC[C@@H](O)[C@H](C)C2)c(C)n1-c1ccccc1 ZINC001137854006 803784246 /nfs/dbraw/zinc/78/42/46/803784246.db2.gz DTRODPBFYOXIQD-AUUYWEPGSA-N 1 0 298.430 3.297 20 10 CGCDRO Cc1cc(C[N@@H+]2CCC[C@H]2CO)c(C)n1-c1ccccc1 ZINC001137856235 803785538 /nfs/dbraw/zinc/78/55/38/803785538.db2.gz VPXJHKKUUXLFAP-SFHVURJKSA-N 1 0 284.403 3.051 20 10 CGCDRO COC[C@@H]1CC[N@@H+]1Cc1cc(C)n(-c2ccccc2)c1C ZINC001137859431 803787960 /nfs/dbraw/zinc/78/79/60/803787960.db2.gz XYOWAPUZLKMFDP-SFHVURJKSA-N 1 0 284.403 3.315 20 10 CGCDRO Cc1c(C[N@@H+]2CCC[C@@H](F)C2)c2ccccc2n1C ZINC001138256584 803881785 /nfs/dbraw/zinc/88/17/85/803881785.db2.gz BSQXSMYHYJEALG-CYBMUJFWSA-N 1 0 260.356 3.421 20 10 CGCDRO COCC[N@H+](Cc1c2ccccc2n(C)c1C)C(C)C ZINC001138256819 803882751 /nfs/dbraw/zinc/88/27/51/803882751.db2.gz LRBSMAVJCNBXGK-UHFFFAOYSA-N 1 0 274.408 3.344 20 10 CGCDRO Cc1c(C[N@@H+]2CC[C@@H]3CCCO[C@@H]3C2)c2ccccc2n1C ZINC001138253714 803882879 /nfs/dbraw/zinc/88/28/79/803882879.db2.gz DKTOPCGHHSAZLC-HNAYVOBHSA-N 1 0 298.430 3.488 20 10 CGCDRO Cc1c(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)c2ccccc2n1C ZINC001138258023 803884781 /nfs/dbraw/zinc/88/47/81/803884781.db2.gz ISDJSZYWVJYTKD-KDOFPFPSSA-N 1 0 284.403 3.098 20 10 CGCDRO Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC001139125542 804134370 /nfs/dbraw/zinc/13/43/70/804134370.db2.gz XGENSXHENQCSOW-BETUJISGSA-N 1 0 299.370 3.039 20 10 CGCDRO Nc1ccc(C[NH2+][C@H]2CCc3cc(F)cc(F)c3C2)cc1 ZINC001246172226 804187305 /nfs/dbraw/zinc/18/73/05/804187305.db2.gz PVIVNJFQZADIIG-HNNXBMFYSA-N 1 0 288.341 3.194 20 10 CGCDRO Cc1cc(C[NH+]2CC(C)(C)OC(C)(C)C2)ccc1N(C)C ZINC001139673428 804247861 /nfs/dbraw/zinc/24/78/61/804247861.db2.gz GSZPJSOJKVJCSZ-UHFFFAOYSA-N 1 0 290.451 3.450 20 10 CGCDRO CC[N@H+](Cc1ccc2cnn(C)c2c1)Cc1ccccc1O ZINC001139907089 804323681 /nfs/dbraw/zinc/32/36/81/804323681.db2.gz COEAWWQIRZFQDR-UHFFFAOYSA-N 1 0 295.386 3.301 20 10 CGCDRO Cc1ccc(C)c(C[N@H+](C)CC2CC(F)(F)C2)c1O ZINC001140182488 804395696 /nfs/dbraw/zinc/39/56/96/804395696.db2.gz RXWYMLXVANWLIL-UHFFFAOYSA-N 1 0 269.335 3.486 20 10 CGCDRO Cc1ccc(C)c(C[N@H+](C)Cc2ccc3c(c2)OCO3)c1O ZINC001140184069 804396132 /nfs/dbraw/zinc/39/61/32/804396132.db2.gz LSUYLPIAUZCVMH-UHFFFAOYSA-N 1 0 299.370 3.370 20 10 CGCDRO COc1ccc2c(c1)c1c(n2C)CCN(Cc2cc[nH]c2)C1 ZINC001140707209 804493449 /nfs/dbraw/zinc/49/34/49/804493449.db2.gz BNYIHJBBIMXEBC-UHFFFAOYSA-N 1 0 295.386 3.073 20 10 CGCDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)c1O ZINC001140747365 804505325 /nfs/dbraw/zinc/50/53/25/804505325.db2.gz AJIFLWQZOOKUPC-JSGCOSHPSA-N 1 0 261.365 3.171 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](F)C2)c(O)c1 ZINC001140855127 804533376 /nfs/dbraw/zinc/53/33/76/804533376.db2.gz OIEBQWKTXLVZTB-AWEZNQCLSA-N 1 0 280.387 3.172 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](CF)C2)c(O)c1 ZINC001140855324 804533614 /nfs/dbraw/zinc/53/36/14/804533614.db2.gz VGGJLUXBUZMDRT-AWEZNQCLSA-N 1 0 294.414 3.420 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@](C)(CF)C2)c(O)c1 ZINC001140850176 804534011 /nfs/dbraw/zinc/53/40/11/804534011.db2.gz FWZMQCFULGENLI-KRWDZBQOSA-N 1 0 294.414 3.420 20 10 CGCDRO CC[C@H]1CCCC[N@@H+]1Cc1c(O)cc(OC)cc1OC ZINC001141029184 804575838 /nfs/dbraw/zinc/57/58/38/804575838.db2.gz LKXATPKIRVIBRW-LBPRGKRZSA-N 1 0 279.380 3.174 20 10 CGCDRO CC[N@H+](Cc1ccc2c(c1)OCCO2)Cc1ccccc1O ZINC001141039833 804576942 /nfs/dbraw/zinc/57/69/42/804576942.db2.gz FCJLXSUYOUHQDU-UHFFFAOYSA-N 1 0 299.370 3.186 20 10 CGCDRO CC(C)[NH+](Cc1ccc2c(c1)OCCN2C)C(C)C ZINC001141138936 804596954 /nfs/dbraw/zinc/59/69/54/804596954.db2.gz DYADBCIJAGSRAS-UHFFFAOYSA-N 1 0 262.397 3.134 20 10 CGCDRO COc1cccc([C@@H]2CCC[N@@H+]2Cc2cc(O)ccc2O)c1 ZINC001141161240 804601545 /nfs/dbraw/zinc/60/15/45/804601545.db2.gz PVEGFXDICOKRBD-KRWDZBQOSA-N 1 0 299.370 3.444 20 10 CGCDRO Oc1ccc(O)c(C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC001141161771 804601566 /nfs/dbraw/zinc/60/15/66/804601566.db2.gz XLEGZUWJQMRZDD-ZDUSSCGKSA-N 1 0 287.334 3.226 20 10 CGCDRO CC(C)(C)c1cccc(C[N@@H+]2CCC[C@](C)(O)CC2)c1O ZINC001143104575 804802013 /nfs/dbraw/zinc/80/20/13/804802013.db2.gz VITUIHBEAQRNSW-SFHVURJKSA-N 1 0 291.435 3.427 20 10 CGCDRO CC(C)(C)c1cccc(C[N@@H+]2CCCCC23COC3)c1O ZINC001143110892 804803458 /nfs/dbraw/zinc/80/34/58/804803458.db2.gz SOGQQIHEUKTYEX-UHFFFAOYSA-N 1 0 289.419 3.445 20 10 CGCDRO CC(C)(C)c1cccc(C[N@@H+]2CCCC23COC3)c1O ZINC001143111066 804803511 /nfs/dbraw/zinc/80/35/11/804803511.db2.gz WHJYUVDZNYAVKR-UHFFFAOYSA-N 1 0 275.392 3.055 20 10 CGCDRO CC(C)(C)c1cccc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)c1O ZINC001143111924 804803594 /nfs/dbraw/zinc/80/35/94/804803594.db2.gz IJGNHURTQHSCEB-CJNGLKHVSA-N 1 0 289.419 3.301 20 10 CGCDRO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001143111479 804803653 /nfs/dbraw/zinc/80/36/53/804803653.db2.gz BYOBOSKMLLTJMT-JSGCOSHPSA-N 1 0 277.408 3.035 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(-c2noc(C[C@H](C)[NH3+])n2)cc1 ZINC001248176306 804890345 /nfs/dbraw/zinc/89/03/45/804890345.db2.gz WEBBZXDBKCVKIS-NSHDSACASA-N 1 0 296.374 3.034 20 10 CGCDRO Cc1cc(C[N@@H+]2CCc3cccc(O)c3C2)cs1 ZINC001248804110 804996870 /nfs/dbraw/zinc/99/68/70/804996870.db2.gz NDKHACNRFCAYKB-UHFFFAOYSA-N 1 0 259.374 3.320 20 10 CGCDRO Oc1cc(O)c(C[N@@H+]2CC[C@H](C3CCCCC3)C2)c(O)c1 ZINC001144514573 804997452 /nfs/dbraw/zinc/99/74/52/804997452.db2.gz LAACBFQRMWTTPA-ZDUSSCGKSA-N 1 0 291.391 3.206 20 10 CGCDRO CCn1cc(C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3C)cn1 ZINC001257438037 807156008 /nfs/dbraw/zinc/15/60/08/807156008.db2.gz PVYUWBXUDQMSNU-TZMCWYRMSA-N 1 0 285.391 3.255 20 10 CGCDRO CCC[C@@H](C)CC[C@@H](C)[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC001257473227 807173971 /nfs/dbraw/zinc/17/39/71/807173971.db2.gz YDYKLDLALCUFQH-CHWSQXEVSA-N 1 0 293.407 3.475 20 10 CGCDRO COc1ccc2c(c1)c1c(n2C)CC[N@H+]([C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001167940768 807278257 /nfs/dbraw/zinc/27/82/57/807278257.db2.gz SFQLIYLODVJZCX-WDNDVIMCSA-N 1 0 296.414 3.344 20 10 CGCDRO CCOc1ccc(N2CC[NH+](CC3CCCC3)CC2)cc1 ZINC001168331471 807386346 /nfs/dbraw/zinc/38/63/46/807386346.db2.gz IJBYOISMTKIQGU-UHFFFAOYSA-N 1 0 288.435 3.398 20 10 CGCDRO C[C@H](Cc1cccc(F)c1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC001168455685 807421240 /nfs/dbraw/zinc/42/12/40/807421240.db2.gz IJMDFZXNQPMPCF-CYBMUJFWSA-N 1 0 285.362 3.481 20 10 CGCDRO COC(=O)C1(C)CCC([NH2+][C@H](C)c2ccccc2O)CC1 ZINC001168752807 807505975 /nfs/dbraw/zinc/50/59/75/807505975.db2.gz UYRISZAJAJAFSJ-SFYCDEOASA-N 1 0 291.391 3.165 20 10 CGCDRO CC[C@H](C)C[C@H](CC)[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC001258781854 807608527 /nfs/dbraw/zinc/60/85/27/807608527.db2.gz GQWNFZHUEJQBEL-AAEUAGOBSA-N 1 0 279.380 3.085 20 10 CGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]C[C@H]1CCCC[C@@H]1O ZINC001261277910 807729887 /nfs/dbraw/zinc/72/98/87/807729887.db2.gz OYADKOKSFHIZOZ-YJNKXOJESA-N 1 0 289.419 3.390 20 10 CGCDRO C[C@@H]1C[C@@H](C[NH2+]Cc2ccc(N3CCCC3)cc2)[C@@H](C)O1 ZINC001261368307 807739665 /nfs/dbraw/zinc/73/96/65/807739665.db2.gz ZISQQHRLOVNEKB-INMHGKMJSA-N 1 0 288.435 3.190 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC[C@H](F)C2)c1 ZINC001261481929 807748475 /nfs/dbraw/zinc/74/84/75/807748475.db2.gz VFYSQUQZLDABCP-SDDRHHMPSA-N 1 0 267.344 3.332 20 10 CGCDRO COCC1([NH2+]Cc2ccc(N3CCCC3)cc2)CCCC1 ZINC001261599779 807769364 /nfs/dbraw/zinc/76/93/64/807769364.db2.gz JKZQOSOFKNOUFD-UHFFFAOYSA-N 1 0 288.435 3.336 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)C[C@H](C)O1 ZINC001261673471 807777518 /nfs/dbraw/zinc/77/75/18/807777518.db2.gz VKDKKMACINBXPZ-CVEARBPZSA-N 1 0 288.435 3.286 20 10 CGCDRO Fc1cccc2c1CC[C@H]([NH2+]Cc1ccc3c(c1)CCO3)C2 ZINC001171401074 808046887 /nfs/dbraw/zinc/04/68/87/808046887.db2.gz JERJFHHCECNTMA-INIZCTEOSA-N 1 0 297.373 3.408 20 10 CGCDRO CC[C@@H](C)OCC[C@@H](C)[NH2+]Cc1ccccc1O ZINC001172315698 808226974 /nfs/dbraw/zinc/22/69/74/808226974.db2.gz CPWZBIWEWADCTH-CHWSQXEVSA-N 1 0 251.370 3.076 20 10 CGCDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccccc1O ZINC001173214191 808539180 /nfs/dbraw/zinc/53/91/80/808539180.db2.gz MXYFPAIUTDTUON-LBPRGKRZSA-N 1 0 286.331 3.021 20 10 CGCDRO CC[C@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC001173260840 808566724 /nfs/dbraw/zinc/56/67/24/808566724.db2.gz OGWDHFFDQJAOCP-DOTOQJQBSA-N 1 0 288.435 3.192 20 10 CGCDRO CCOc1ccc(N2CCC3(CC[N@H+](C)C3)CC2)cc1 ZINC001276926549 809044804 /nfs/dbraw/zinc/04/48/04/809044804.db2.gz VCWLSDLQCRNTBG-UHFFFAOYSA-N 1 0 274.408 3.007 20 10 CGCDRO Nc1ccc(NC2=CC[N@H+](Cc3ccccc3)CC2)cc1 ZINC001175505484 809432629 /nfs/dbraw/zinc/43/26/29/809432629.db2.gz DTIUHMXWALOOSB-UHFFFAOYSA-N 1 0 279.387 3.471 20 10 CGCDRO CN(c1ccc(N)cc1)C1=CC[N@H+](Cc2ccccc2)CC1 ZINC001175506627 809434009 /nfs/dbraw/zinc/43/40/09/809434009.db2.gz KBZUTGFDPNQYBQ-UHFFFAOYSA-N 1 0 293.414 3.495 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@H](CO)C2CCCC2)cc1C ZINC001178855896 809891413 /nfs/dbraw/zinc/89/14/13/809891413.db2.gz SGHPUNYPFCBHNI-QGZVFWFLSA-N 1 0 291.435 3.425 20 10 CGCDRO CN(C)c1cc(F)c(C[NH2+]CCC2CCC2)cc1F ZINC001179501648 809925637 /nfs/dbraw/zinc/92/56/37/809925637.db2.gz AUPWKSUOBBXSFT-UHFFFAOYSA-N 1 0 268.351 3.311 20 10 CGCDRO C[C@@]1(C[NH2+]Cc2ccc3c(c2)CCCO3)CCCCO1 ZINC001179699532 809938740 /nfs/dbraw/zinc/93/87/40/809938740.db2.gz AKBLRWPYTZTSDP-KRWDZBQOSA-N 1 0 275.392 3.060 20 10 CGCDRO COC1([C@H](C)[NH2+]Cc2ccc(Cl)cc2O)CCC1 ZINC001182399062 810108481 /nfs/dbraw/zinc/10/84/81/810108481.db2.gz XSTANCBPTPHHGC-JTQLQIEISA-N 1 0 269.772 3.093 20 10 CGCDRO CCCC[C@@](C)(CO)[NH2+]Cc1ccc(Cl)cc1O ZINC001182575401 810115906 /nfs/dbraw/zinc/11/59/06/810115906.db2.gz ZQCFZZFHKVKUIY-AWEZNQCLSA-N 1 0 271.788 3.076 20 10 CGCDRO CCC[C@H](C)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC001201539155 811890937 /nfs/dbraw/zinc/89/09/37/811890937.db2.gz QKDQRZGSAVSDCV-HNNXBMFYSA-N 1 0 276.424 3.253 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@H]2CCC[C@@H]2CCO)cc1C ZINC001202102320 812014259 /nfs/dbraw/zinc/01/42/59/812014259.db2.gz POJHYAFSQPDMGL-SJORKVTESA-N 1 0 291.435 3.425 20 10 CGCDRO COc1ccc2c(c1)c1c(n2C)CC[N@@H+](CC2CCC2)C1 ZINC001202762808 812168935 /nfs/dbraw/zinc/16/89/35/812168935.db2.gz RKCBPARBDNOPFQ-UHFFFAOYSA-N 1 0 284.403 3.345 20 10 CGCDRO CO[C@@H](C[NH2+]Cc1ccc2c(c1)CCCO2)CC(C)C ZINC001202867986 812189871 /nfs/dbraw/zinc/18/98/71/812189871.db2.gz CESCAFLRJLVBDL-MRXNPFEDSA-N 1 0 277.408 3.162 20 10 CGCDRO C[N@H+](CCC(=O)c1cccs1)Cc1ccccc1O ZINC001203558676 812391849 /nfs/dbraw/zinc/39/18/49/812391849.db2.gz UQCIHZUSVKURNY-UHFFFAOYSA-N 1 0 275.373 3.159 20 10 CGCDRO CCC[N@H+](Cc1cc(OC)ccc1O)[C@@H](C)CC ZINC001203665894 812422128 /nfs/dbraw/zinc/42/21/28/812422128.db2.gz ZYRLNVRSVJLOHK-LBPRGKRZSA-N 1 0 251.370 3.411 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001203664494 812422632 /nfs/dbraw/zinc/42/26/32/812422632.db2.gz HGLJGKCJFIIAHO-UHFFFAOYSA-N 1 0 289.762 3.310 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@](C)(F)CC2)c1 ZINC001203670524 812425310 /nfs/dbraw/zinc/42/53/10/812425310.db2.gz SMCMDIDVYXBMEJ-HNNXBMFYSA-N 1 0 267.344 3.115 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](C)[C@H](C)C2)c1 ZINC001203669880 812425373 /nfs/dbraw/zinc/42/53/73/812425373.db2.gz GRNPGUFBWCTYSM-CHWSQXEVSA-N 1 0 263.381 3.269 20 10 CGCDRO COc1cccc([C@H]2CCC[N@@H+]2Cc2ccc(O)c(O)c2)c1 ZINC001203880539 812478726 /nfs/dbraw/zinc/47/87/26/812478726.db2.gz VFBBGBDUJAYMQD-MRXNPFEDSA-N 1 0 299.370 3.444 20 10 CGCDRO Oc1ccc(C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)cc1O ZINC001203882640 812479905 /nfs/dbraw/zinc/47/99/05/812479905.db2.gz OTNXNUSZQQPFPK-UONOGXRCSA-N 1 0 261.365 3.252 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+]2CCC(=O)[C@@H](C)CC2)cc1 ZINC001203939607 812497339 /nfs/dbraw/zinc/49/73/39/812497339.db2.gz DQOXLRDNBNVHRT-HNNXBMFYSA-N 1 0 288.435 3.334 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CCCC(C)(C)O2)cc1F ZINC001203952924 812500676 /nfs/dbraw/zinc/50/06/76/812500676.db2.gz COSMJPVPQFSQPQ-AWEZNQCLSA-N 1 0 294.414 3.329 20 10 CGCDRO c1ccc2c(c1)CO[C@H]2C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001204063906 812538977 /nfs/dbraw/zinc/53/89/77/812538977.db2.gz NTLLTGWADVEXNV-IBGZPJMESA-N 1 0 295.382 3.373 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCCN(C)CC2)c2ccccc21 ZINC001204232611 812580123 /nfs/dbraw/zinc/58/01/23/812580123.db2.gz GFKHDCNYLDPQPP-UHFFFAOYSA-N 1 0 297.446 3.043 20 10 CGCDRO C[C@H]1COCC[N@@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001204233235 812580582 /nfs/dbraw/zinc/58/05/82/812580582.db2.gz PEXRFZBAZQXGPQ-AWEZNQCLSA-N 1 0 284.403 3.127 20 10 CGCDRO Oc1ccc(C[N@@H+]2CCC[C@H]2c2ccccc2)c(O)c1 ZINC001204274706 812591541 /nfs/dbraw/zinc/59/15/41/812591541.db2.gz GZFHRXJCRSWOJP-INIZCTEOSA-N 1 0 269.344 3.435 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)C[C@H]1F ZINC001204326517 812614346 /nfs/dbraw/zinc/61/43/46/812614346.db2.gz YRHDNPAEFMPYDI-RHSMWYFYSA-N 1 0 276.399 3.467 20 10 CGCDRO Oc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC001204333290 812616546 /nfs/dbraw/zinc/61/65/46/812616546.db2.gz ARWLZDGYFSMVTJ-TZMCWYRMSA-N 1 0 281.783 3.047 20 10 CGCDRO CCc1ccc(C[N@@H+]2CCc3cccc(O)c3C2)o1 ZINC001204394681 812628341 /nfs/dbraw/zinc/62/83/41/812628341.db2.gz IILKUVKTRYRKGR-UHFFFAOYSA-N 1 0 257.333 3.106 20 10 CGCDRO COC(C)(C)C[N@H+](C)Cc1cc(C(C)C)ccc1O ZINC001204633389 812696620 /nfs/dbraw/zinc/69/66/20/812696620.db2.gz UDEJZCWWZRSICJ-UHFFFAOYSA-N 1 0 265.397 3.372 20 10 CGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CC[C@]3(CCOC3)C2)c1 ZINC001204790317 812737799 /nfs/dbraw/zinc/73/77/99/812737799.db2.gz LDFVXZQUFYMXQV-KRWDZBQOSA-N 1 0 275.392 3.128 20 10 CGCDRO CC[C@@H]1CCC[C@@H]1C[NH2+]Cc1cc(OC)ccc1O ZINC001205860227 813111281 /nfs/dbraw/zinc/11/12/81/813111281.db2.gz MPBRDPZYJHGIFK-CHWSQXEVSA-N 1 0 263.381 3.317 20 10 CGCDRO CC[C@](C)(C[NH2+]Cc1cc(C(C)C)ccc1O)OC ZINC001205908050 813128411 /nfs/dbraw/zinc/12/84/11/813128411.db2.gz OCWOSWHCNQAKLK-MRXNPFEDSA-N 1 0 265.397 3.420 20 10 CGCDRO C[C@@H](C[NH2+]Cc1ccc(Cl)cc1O)C(=O)OC(C)(C)C ZINC001206463363 813327046 /nfs/dbraw/zinc/32/70/46/813327046.db2.gz GKTAZRHNWNVYSQ-JTQLQIEISA-N 1 0 299.798 3.113 20 10 CGCDRO CC(C)[N@H+](Cc1ccc(Cl)cc1[O-])[C@@H]1CCC[NH2+]CC1 ZINC001206590417 813367216 /nfs/dbraw/zinc/36/72/16/813367216.db2.gz LMKBJJHKNGNVAG-OAHLLOKOSA-N 1 0 296.842 3.398 20 10 CGCDRO CN(Cc1ccc(N2CCCC2)cc1)Cc1ccncc1F ZINC001206785639 813436396 /nfs/dbraw/zinc/43/63/96/813436396.db2.gz FILZSJNBKMYXDO-UHFFFAOYSA-N 1 0 299.393 3.453 20 10 CGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CC[C@H](CF)C2)c1 ZINC001207301981 813538154 /nfs/dbraw/zinc/53/81/54/813538154.db2.gz MPGXLGUZTGGYAD-GFCCVEGCSA-N 1 0 251.345 3.307 20 10 CGCDRO Oc1ccc(Cl)c(C[NH2+]Cc2cc(F)ccc2O)c1 ZINC001207334515 813543549 /nfs/dbraw/zinc/54/35/49/813543549.db2.gz RCQBIRCGHYWVTK-UHFFFAOYSA-N 1 0 281.714 3.180 20 10 CGCDRO COc1ccccc1CC[N@@H+]1CCc2cccc(O)c2C1 ZINC001207457691 813567387 /nfs/dbraw/zinc/56/73/87/813567387.db2.gz BHZCFKOUQWWIPQ-UHFFFAOYSA-N 1 0 283.371 3.002 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@H]2OCc3ccccc32)c1O ZINC001207806498 813654995 /nfs/dbraw/zinc/65/49/95/813654995.db2.gz VOPUTAXMNDMQPV-QGZVFWFLSA-N 1 0 283.371 3.316 20 10 CGCDRO CC[N@H+](CCOC(=O)c1ccccc1)Cc1ccccc1O ZINC001209046334 813922268 /nfs/dbraw/zinc/92/22/68/813922268.db2.gz FLUNNTBTYNATRR-UHFFFAOYSA-N 1 0 299.370 3.071 20 10 CGCDRO CCOC(=O)CCCCCC[N@H+](C)Cc1ccccc1O ZINC001209350317 814002916 /nfs/dbraw/zinc/00/29/16/814002916.db2.gz ICXZSGMLOCRRAP-UHFFFAOYSA-N 1 0 293.407 3.338 20 10 CGCDRO C[C@H]1C[C@H]1C[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001209421451 814022496 /nfs/dbraw/zinc/02/24/96/814022496.db2.gz PUAVGDOGMFBYAY-HOCLYGCPSA-N 1 0 258.409 3.375 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CCOC3(CC3)C2)cc1 ZINC001209519740 814072946 /nfs/dbraw/zinc/07/29/46/814072946.db2.gz HFYWSPLJZYOJAU-UHFFFAOYSA-N 1 0 296.414 3.459 20 10 CGCDRO COC[C@H]1CC[N@@H+]1Cc1ccc(-n2c(C)ccc2C)cc1 ZINC001209519689 814073682 /nfs/dbraw/zinc/07/36/82/814073682.db2.gz FDKWOHSRJVOVBQ-GOSISDBHSA-N 1 0 284.403 3.315 20 10 CGCDRO C[C@H](Oc1ccc(N2CC[NH2+]CC2)cc1)c1cccs1 ZINC001218022826 816058846 /nfs/dbraw/zinc/05/88/46/816058846.db2.gz ZJCSERHSUGTLJG-ZDUSSCGKSA-N 1 0 288.416 3.298 20 10 CGCDRO c1cc(N2CCCC2)ccc1CN1CCC[C@]12CCC[NH2+]C2 ZINC001222236791 816381973 /nfs/dbraw/zinc/38/19/73/816381973.db2.gz BDIUTAORXKNIMY-IBGZPJMESA-N 1 0 299.462 3.005 20 10 CGCDRO CC(C)[N@@H+]1CCC[C@@H](Oc2ccc(N(C)C)cc2)C1 ZINC001227938689 817758967 /nfs/dbraw/zinc/75/89/67/817758967.db2.gz CPOPWZUCXQGQPT-MRXNPFEDSA-N 1 0 262.397 3.004 20 10 CGCDRO CC[N@H+](Cc1c[nH]c2cnccc12)Cc1ccccc1O ZINC001231520029 818118694 /nfs/dbraw/zinc/11/86/94/818118694.db2.gz PYSNLDHHVAWANG-UHFFFAOYSA-N 1 0 281.359 3.291 20 10 CGCDRO Cc1cccc(C[NH+]2CCC(Oc3ccccn3)CC2)c1O ZINC001231591981 818132044 /nfs/dbraw/zinc/13/20/44/818132044.db2.gz DKYJZVKPOIHKQS-UHFFFAOYSA-N 1 0 298.386 3.139 20 10 CGCDRO Cc1cccc(C[N@H+]2CC[C@@H](Oc3ncccc3C)C2)c1O ZINC001231595544 818134196 /nfs/dbraw/zinc/13/41/96/818134196.db2.gz ZAJQZLSDLHRGPD-MRXNPFEDSA-N 1 0 298.386 3.057 20 10 CGCDRO Cc1cc(C)c(C[N@H+](C)Cc2ccncc2)c(O)c1 ZINC001231843012 818186360 /nfs/dbraw/zinc/18/63/60/818186360.db2.gz SBWAXRXMZSCNSS-UHFFFAOYSA-N 1 0 256.349 3.036 20 10 CGCDRO Cc1cc(C)c(C[N@@H+]2CCC3(C2)CCOCC3)c(O)c1 ZINC001231845934 818187028 /nfs/dbraw/zinc/18/70/28/818187028.db2.gz VLIPDYWONKQJKP-UHFFFAOYSA-N 1 0 275.392 3.012 20 10 CGCDRO COc1cc(N(C)C)ccc1C[N@H+](C)C1CCCC1 ZINC001231853412 818189023 /nfs/dbraw/zinc/18/90/23/818189023.db2.gz JYGLAPRCKHOLIL-UHFFFAOYSA-N 1 0 262.397 3.136 20 10 CGCDRO Cc1cc(O)c(CN2CC[C@@H]([N@@H+](C)C(C)C)C2)cc1Cl ZINC001231870238 818193401 /nfs/dbraw/zinc/19/34/01/818193401.db2.gz PKRPLRSFMJRHEV-CQSZACIVSA-N 1 0 296.842 3.269 20 10 CGCDRO CC[N@H+](C)C1CCN(Cc2cc(Cl)c(C)cc2O)CC1 ZINC001231871249 818194126 /nfs/dbraw/zinc/19/41/26/818194126.db2.gz HGQXKKFPMLOEEU-UHFFFAOYSA-N 1 0 296.842 3.270 20 10 CGCDRO Oc1c(C[N@@H+]2CCc3cnccc3C2)ccc2ccccc21 ZINC001231878320 818197458 /nfs/dbraw/zinc/19/74/58/818197458.db2.gz IJYLUBNRYBDIGB-UHFFFAOYSA-N 1 0 290.366 3.499 20 10 CGCDRO Oc1c(C[N@@H+]2CCC[C@@]3(CCO3)C2)ccc2ccccc21 ZINC001231881295 818199649 /nfs/dbraw/zinc/19/96/49/818199649.db2.gz UURKVGVLMXYJHE-GOSISDBHSA-N 1 0 283.371 3.300 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2ccc3ccccc3c2O)[C@H](C)CO1 ZINC001231883238 818202145 /nfs/dbraw/zinc/20/21/45/818202145.db2.gz MXZAJESWTHIBLM-CHWSQXEVSA-N 1 0 271.360 3.155 20 10 CGCDRO CC1(C)CC[NH+](Cc2cc(Cl)c(O)cc2O)CC1 ZINC001232261759 818295021 /nfs/dbraw/zinc/29/50/21/818295021.db2.gz OCWQZQYFOYSDJL-UHFFFAOYSA-N 1 0 269.772 3.373 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CC3CCC2CC3)cc1Cl ZINC001232269716 818300669 /nfs/dbraw/zinc/30/06/69/818300669.db2.gz IQSPYMMWNJZKMB-UHFFFAOYSA-N 1 0 281.783 3.429 20 10 CGCDRO CNc1ccccc1C[N@H+](C)Cc1ccccc1O ZINC001232672904 818415071 /nfs/dbraw/zinc/41/50/71/818415071.db2.gz MCWLOWZBMAKXAF-UHFFFAOYSA-N 1 0 256.349 3.066 20 10 CGCDRO C[N@H+](Cc1ccc2ncoc2c1)Cc1ccccc1O ZINC001232945579 818481437 /nfs/dbraw/zinc/48/14/37/818481437.db2.gz XUUVEGIFYXEGHL-UHFFFAOYSA-N 1 0 268.316 3.165 20 10 CGCDRO Cc1cc(Br)cc(C[N@H+]2CC[C@@H]2C)c1O ZINC001233106486 818524434 /nfs/dbraw/zinc/52/44/34/818524434.db2.gz IEHVEXUWTLIXRH-VIFPVBQESA-N 1 0 270.170 3.057 20 10 CGCDRO Cc1cc(CN2CCCc3cc(O)c(O)cc3C2)cnc1C ZINC001233161233 818530366 /nfs/dbraw/zinc/53/03/66/818530366.db2.gz XWRTVYKMNIQUHJ-UHFFFAOYSA-N 1 0 298.386 3.058 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2cc(C(C)(C)C)ccc2O)CCCC1=O ZINC001233284041 818566179 /nfs/dbraw/zinc/56/61/79/818566179.db2.gz FRVNDEDBSXTEFS-CYBMUJFWSA-N 1 0 289.419 3.491 20 10 CGCDRO CO[C@@H]1CCC[N@H+](Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001233284159 818566475 /nfs/dbraw/zinc/56/64/75/818566475.db2.gz KLCBECKFXYPGJZ-OAHLLOKOSA-N 1 0 277.408 3.301 20 10 CGCDRO CO[C@H](C)C1C[NH+](Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001233286829 818567313 /nfs/dbraw/zinc/56/73/13/818567313.db2.gz KMCAERMPOLWIGL-GFCCVEGCSA-N 1 0 277.408 3.156 20 10 CGCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CC[C@@]3(CCCO3)C2)c1 ZINC001233284300 818568129 /nfs/dbraw/zinc/56/81/29/818568129.db2.gz PNZWOEVQVBXVEP-SFHVURJKSA-N 1 0 289.419 3.445 20 10 CGCDRO CCN1CCC[N@H+](Cc2cc(C(C)(C)C)ccc2O)CC1 ZINC001233284583 818568167 /nfs/dbraw/zinc/56/81/67/818568167.db2.gz ZWXWPAHMSVQHEG-UHFFFAOYSA-N 1 0 290.451 3.217 20 10 CGCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2C[C@H]3CC[C@@H]2CO3)c1 ZINC001233287437 818570104 /nfs/dbraw/zinc/57/01/04/818570104.db2.gz PQRAHMDDWKMHOK-HUUCEWRRSA-N 1 0 275.392 3.053 20 10 CGCDRO CC[C@@H]1COCC[N@@H+]1Cc1ccc(C(F)(F)F)cc1O ZINC001233455181 818624172 /nfs/dbraw/zinc/62/41/72/818624172.db2.gz ZXNQJLFSXXSHAO-GFCCVEGCSA-N 1 0 289.297 3.022 20 10 CGCDRO CCN1CCc2cc(OC3CCC([NH+](C)C)CC3)ccc21 ZINC001233601023 818654943 /nfs/dbraw/zinc/65/49/43/818654943.db2.gz FMCBRWXITLJRHL-UHFFFAOYSA-N 1 0 288.435 3.321 20 10 CGCDRO CN(C)CC[N@H+](C)Cc1cccc(-c2ccccc2)c1O ZINC001234992681 818970247 /nfs/dbraw/zinc/97/02/47/818970247.db2.gz QIGKDOXRDZANEQ-UHFFFAOYSA-N 1 0 284.403 3.053 20 10 CGCDRO CC(C)c1ccc(CN2CCCC[C@]23CC[NH2+]C3)c(O)c1 ZINC001235129243 819013587 /nfs/dbraw/zinc/01/35/87/819013587.db2.gz LEMSEVVUXPCZPU-GOSISDBHSA-N 1 0 288.435 3.234 20 10 CGCDRO CCc1cccc(CN2CCCc3cc(O)c(O)cc3C2)n1 ZINC001235263089 819054806 /nfs/dbraw/zinc/05/48/06/819054806.db2.gz IFUKAKBKFPRVPV-UHFFFAOYSA-N 1 0 298.386 3.004 20 10 CGCDRO CC(C)[C@@H]1C[NH2+]CCN1Cc1ccc(C(C)(C)C)cc1O ZINC001235459178 819104969 /nfs/dbraw/zinc/10/49/69/819104969.db2.gz YPQNETBSDYRRLN-INIZCTEOSA-N 1 0 290.451 3.120 20 10 CGCDRO COC[C@@H]1CC[N@H+](Cc2ccc(C(C)(C)C)cc2O)C1 ZINC001235676056 819136630 /nfs/dbraw/zinc/13/66/30/819136630.db2.gz OWQPTCKQPYIVLI-CYBMUJFWSA-N 1 0 277.408 3.158 20 10 CGCDRO CC[C@@H]1COCC[N@@H+]1Cc1ccc(C(C)(C)C)cc1O ZINC001235677756 819138612 /nfs/dbraw/zinc/13/86/12/819138612.db2.gz HJVLSNGMLOJGDV-OAHLLOKOSA-N 1 0 277.408 3.301 20 10 CGCDRO CC(C)(C)c1ccc(C[N@@H+]2CCC[C@H](CCO)C2)c(O)c1 ZINC001235683366 819141417 /nfs/dbraw/zinc/14/14/17/819141417.db2.gz DVXYGCJXFVFVIK-CQSZACIVSA-N 1 0 291.435 3.284 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(CN2C[C@@H]3CC[C@]3([NH3+])C2)cc1 ZINC001235976986 819257511 /nfs/dbraw/zinc/25/75/11/819257511.db2.gz DWEGXKXHOSOFDN-HKUYNNGSSA-N 1 0 295.430 3.017 20 10 CGCDRO Cc1cc(CN2CCC[C@H]([NH3+])[C@@H]2C)c(C)n1-c1ccccc1 ZINC001236421653 819468067 /nfs/dbraw/zinc/46/80/67/819468067.db2.gz RNYSYKBCZXTNGF-LPHOPBHVSA-N 1 0 297.446 3.406 20 10 CGCDRO CC(C)N(Cc1cc(C(C)(C)C)ccc1O)[C@H]1CC[NH2+]C1 ZINC001236531415 819523474 /nfs/dbraw/zinc/52/34/74/819523474.db2.gz YLWIJFLQEWWLEI-INIZCTEOSA-N 1 0 290.451 3.262 20 10 CGCDRO CCc1ccc(C[N@H+](C)CCOc2ccccc2)c(O)c1 ZINC001236788669 819595227 /nfs/dbraw/zinc/59/52/27/819595227.db2.gz MMAQRFQOXVTRGQ-UHFFFAOYSA-N 1 0 285.387 3.465 20 10 CGCDRO CCc1ccc(C[N@@H+]2CC[C@H](c3ccncc3)C2)c(O)c1 ZINC001236790327 819595321 /nfs/dbraw/zinc/59/53/21/819595321.db2.gz WDEYMRZLSMVFJN-INIZCTEOSA-N 1 0 282.387 3.339 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CC[C@](C)(CF)C2)c(Cl)c1 ZINC001236797498 819599726 /nfs/dbraw/zinc/59/97/26/819599726.db2.gz FPUSCPKVDIZTIS-CQSZACIVSA-N 1 0 287.762 3.236 20 10 CGCDRO COc1cc(O)c(C[NH+]2CCC(C)CC2)c(Cl)c1 ZINC001236803040 819601883 /nfs/dbraw/zinc/60/18/83/819601883.db2.gz LYWVHDXBTXHGBZ-UHFFFAOYSA-N 1 0 269.772 3.286 20 10 CGCDRO CC[N@H+](Cc1cccnc1)Cc1c(C)cc(OC)cc1O ZINC001236813555 819604083 /nfs/dbraw/zinc/60/40/83/819604083.db2.gz MALIFDQYEKYUGJ-UHFFFAOYSA-N 1 0 286.375 3.126 20 10 CGCDRO COc1ccc(C[N@@H+]2CCC3(CCC3)C2)c([O-])c1Cl ZINC001236811032 819604488 /nfs/dbraw/zinc/60/44/88/819604488.db2.gz FDYONWCBFGIDLT-UHFFFAOYSA-N 1 0 281.783 3.430 20 10 CGCDRO CCCC[N@H+](CC)Cc1c(C)cc(OC)cc1O ZINC001236818504 819605546 /nfs/dbraw/zinc/60/55/46/819605546.db2.gz NMTQAZXAFLVTKS-UHFFFAOYSA-N 1 0 251.370 3.331 20 10 CGCDRO C[C@@H]1CC[C@H](CO)C[N@@H+]1Cc1cc2ccccc2cc1O ZINC001236827658 819609617 /nfs/dbraw/zinc/60/96/17/819609617.db2.gz VOSBXCFFJUJLFI-KGLIPLIRSA-N 1 0 285.387 3.138 20 10 CGCDRO CCOc1ccc(C[N@H+](C)C[C@H]2CC2(C)C)c(O)c1 ZINC001237044861 819650609 /nfs/dbraw/zinc/65/06/09/819650609.db2.gz VCNCRMXVHMUKOO-CYBMUJFWSA-N 1 0 263.381 3.269 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2CCC[C@H](O)[C@H](C)C2)c(O)c1 ZINC001237044411 819651252 /nfs/dbraw/zinc/65/12/52/819651252.db2.gz CSGMBDXZFOBRSB-CJNGLKHVSA-N 1 0 277.408 3.108 20 10 CGCDRO CCC1(O)CC[NH+](Cc2ccc(C(C)C)cc2O)CC1 ZINC001237049622 819652442 /nfs/dbraw/zinc/65/24/42/819652442.db2.gz QIODTBVELZUDPH-UHFFFAOYSA-N 1 0 277.408 3.253 20 10 CGCDRO CCO[C@@H]1CC[N@H+](Cc2ccc(C(C)C)cc2O)C1 ZINC001237055388 819654362 /nfs/dbraw/zinc/65/43/62/819654362.db2.gz NYAHMHQIZPIEFN-OAHLLOKOSA-N 1 0 263.381 3.126 20 10 CGCDRO C[C@]1(CF)CC[N@H+](Cc2c(O)ccc(F)c2Cl)C1 ZINC001237121831 819672874 /nfs/dbraw/zinc/67/28/74/819672874.db2.gz PTSNCUIQFRXJTM-CYBMUJFWSA-N 1 0 275.726 3.366 20 10 CGCDRO Oc1ccc(F)c(Cl)c1C[N@@H+]1CC[C@@H]2CCCO[C@H]2C1 ZINC001237124947 819673393 /nfs/dbraw/zinc/67/33/93/819673393.db2.gz SWMBDEHYLXSBRO-HZMBPMFUSA-N 1 0 299.773 3.186 20 10 CGCDRO C[N@H+](Cc1cccnc1)Cc1cc(C(F)(F)F)ccc1O ZINC001237135506 819674928 /nfs/dbraw/zinc/67/49/28/819674928.db2.gz JBNSNCJTDCBCGU-UHFFFAOYSA-N 1 0 296.292 3.438 20 10 CGCDRO C[C@H]1CCC[N@@H+]1Cc1cc(C(F)(F)F)ccc1O ZINC001237137123 819675478 /nfs/dbraw/zinc/67/54/78/819675478.db2.gz MMENSAUGOMOYPY-VIFPVBQESA-N 1 0 259.271 3.395 20 10 CGCDRO Cc1c(C[N@@H+]2CCNC3=CCCC[C@@H]32)c2ccccc2n1C ZINC001237220120 819700854 /nfs/dbraw/zinc/70/08/54/819700854.db2.gz QTBHAWQQEVLKTH-IBGZPJMESA-N 1 0 295.430 3.328 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCNC3=CCCC[C@@H]32)cc1 ZINC001237219702 819701219 /nfs/dbraw/zinc/70/12/19/819701219.db2.gz NWDQFFXIASWXEU-IBGZPJMESA-N 1 0 299.462 3.374 20 10 CGCDRO C[C@H]1CN(Cc2ccc(N)cc2)CC[N@@H+]1C1CCCCC1 ZINC001237250781 819710907 /nfs/dbraw/zinc/71/09/07/819710907.db2.gz XQWUGLLULRRDAG-HNNXBMFYSA-N 1 0 287.451 3.108 20 10 CGCDRO CCC[N@@H+](Cc1cc(OC)cc(OC)c1O)CC1CC1 ZINC001237674656 819804417 /nfs/dbraw/zinc/80/44/17/819804417.db2.gz KUMXMCIYDDMUNN-UHFFFAOYSA-N 1 0 279.380 3.031 20 10 CGCDRO COC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(C)c1O ZINC001237682172 819805907 /nfs/dbraw/zinc/80/59/07/819805907.db2.gz ZRJVFFZXGVYRGS-CQSZACIVSA-N 1 0 283.799 3.355 20 10 CGCDRO Cc1cc(Cl)cc(C[N@H+](C)Cc2cncs2)c1O ZINC001237688237 819807861 /nfs/dbraw/zinc/80/78/61/819807861.db2.gz GODYMFNOTJAMFM-UHFFFAOYSA-N 1 0 282.796 3.443 20 10 CGCDRO Cc1cc(Cl)cc(CN2CC[C@@H]([N@@H+](C)C(C)C)C2)c1O ZINC001237690221 819809260 /nfs/dbraw/zinc/80/92/60/819809260.db2.gz USPXBDHBCDOQGR-OAHLLOKOSA-N 1 0 296.842 3.269 20 10 CGCDRO CO[C@@H]1CCC[N@H+](Cc2cc(F)cc(Cl)c2[O-])CC1 ZINC001237798488 819845384 /nfs/dbraw/zinc/84/53/84/819845384.db2.gz GSEJOMNNPGWUED-GFCCVEGCSA-N 1 0 287.762 3.186 20 10 CGCDRO Cc1cc(F)cc(C[N@@H+]2CC[C@@H](c3ccncc3)C2)c1O ZINC001238063328 819920480 /nfs/dbraw/zinc/92/04/80/819920480.db2.gz VPMISEASKZVVHL-CQSZACIVSA-N 1 0 286.350 3.224 20 10 CGCDRO Cc1cc(F)cc(C[N@@H+]2CCC[C@H](C(F)F)C2)c1O ZINC001238063345 819920774 /nfs/dbraw/zinc/92/07/74/819920774.db2.gz VTUYCYSUADBFLO-JTQLQIEISA-N 1 0 273.298 3.317 20 10 CGCDRO Cc1cc(F)cc(C[N@@H+]2CC[C@@H]3CCC[C@H]3C2)c1O ZINC001238064497 819920960 /nfs/dbraw/zinc/92/09/60/819920960.db2.gz PMEQIKLKUOFNJK-STQMWFEESA-N 1 0 263.356 3.462 20 10 CGCDRO Cc1cc(F)cc(C[N@H+]2C[C@H](C)C[C@H](C)C2)c1O ZINC001238069249 819922923 /nfs/dbraw/zinc/92/29/23/819922923.db2.gz XRNQNLLAYLYEHN-PHIMTYICSA-N 1 0 251.345 3.318 20 10 CGCDRO Cc1cc(F)cc(C[N@@H+]2CC[C@H](COCC3CC3)C2)c1O ZINC001238065896 819923464 /nfs/dbraw/zinc/92/34/64/819923464.db2.gz CJFAINNMKWALHH-AWEZNQCLSA-N 1 0 293.382 3.088 20 10 CGCDRO Cc1cc(F)cc(C[N@@H+]2CC[C@@H](COCC3CC3)C2)c1O ZINC001238065903 819923537 /nfs/dbraw/zinc/92/35/37/819923537.db2.gz CJFAINNMKWALHH-CQSZACIVSA-N 1 0 293.382 3.088 20 10 CGCDRO Cc1cc(F)cc(C[N@H+](C)CC2CCCC2)c1O ZINC001238071526 819924788 /nfs/dbraw/zinc/92/47/88/819924788.db2.gz YTLOEGYGXLSKOW-UHFFFAOYSA-N 1 0 251.345 3.462 20 10 CGCDRO Cn1ccc2c1cc[nH+]c2-c1ccc(N2CCCC2)nc1 ZINC001241373859 821775904 /nfs/dbraw/zinc/77/59/04/821775904.db2.gz UXSUFHVDDGVBAU-UHFFFAOYSA-N 1 0 278.359 3.236 20 10 CGCDRO CSc1ccc(-c2[nH+]ccc3c2ccn3C)cn1 ZINC001241631423 822009702 /nfs/dbraw/zinc/00/97/02/822009702.db2.gz SGQWYCZZIDNPHL-UHFFFAOYSA-N 1 0 255.346 3.357 20 10 CGCDRO C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001341567844 936442586 /nfs/dbraw/zinc/44/25/86/936442586.db2.gz OOBHPZBSWLLBNE-QAPCUYQASA-N 1 0 288.435 3.022 20 10 CGCDRO COc1cc(C)cc(C[NH2+]C[C@@H]2C[C@H]2C(C)C)c1O ZINC001474526481 937865080 /nfs/dbraw/zinc/86/50/80/937865080.db2.gz NZCPFMSOAZLOAX-JSGCOSHPSA-N 1 0 263.381 3.091 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CCO[C@H]1CC1(F)F ZINC001346869492 936864472 /nfs/dbraw/zinc/86/44/72/936864472.db2.gz RTCBEGOUKQXYDL-MDZLAQPJSA-N 1 0 297.345 3.263 20 10 CGCDRO COc1ccncc1C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC001347669199 936891969 /nfs/dbraw/zinc/89/19/69/936891969.db2.gz UHWRDCZYUSQICI-OCCSQVGLSA-N 1 0 298.386 3.442 20 10 CGCDRO Nc1ccc(C[NH2+]C2(c3ccc(F)cc3)CC2)cc1 ZINC001352788972 937049549 /nfs/dbraw/zinc/04/95/49/937049549.db2.gz SJLIUTUNIOLWPV-UHFFFAOYSA-N 1 0 256.324 3.187 20 10 CGCDRO CC[C@H](C)N(C)CC[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC000217381387 928155838 /nfs/dbraw/zinc/15/58/38/928155838.db2.gz DGMPULXSOUIKKB-INIZCTEOSA-N 1 0 291.483 3.353 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CC[C@@H](O)C(C)C)cc1 ZINC001308276194 928873135 /nfs/dbraw/zinc/87/31/35/928873135.db2.gz YDGYPOALYFUFKH-QGZVFWFLSA-N 1 0 278.440 3.029 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CC[C@H](O)C(C)C)cc1 ZINC001308276093 928873735 /nfs/dbraw/zinc/87/37/35/928873735.db2.gz YDGYPOALYFUFKH-KRWDZBQOSA-N 1 0 278.440 3.029 20 10 CGCDRO Cc1cccc(CNc2cc(N3CCCC3)cc[nH+]2)c1O ZINC001160770435 931984272 /nfs/dbraw/zinc/98/42/72/931984272.db2.gz WMAZCFSWKVGJIY-UHFFFAOYSA-N 1 0 283.375 3.308 20 10 CGCDRO CCO[C@H](CC[NH2+]Cc1ccc(N(C)C)c(F)c1)C(C)C ZINC001461270007 937573668 /nfs/dbraw/zinc/57/36/68/937573668.db2.gz UDLDXUHYSPTZOP-QGZVFWFLSA-N 1 0 296.430 3.433 20 10 CGCDRO C[C@H]1CC[C@@H](C[NH2+]Cc2ccc(N(C)C)c(F)c2)C1 ZINC001461483365 937583095 /nfs/dbraw/zinc/58/30/95/937583095.db2.gz YMOZAIOPUMDWFU-QWHCGFSZSA-N 1 0 264.388 3.418 20 10 CGCDRO COc1cc(O)c(C[NH2+][C@@H](C)c2cccs2)cc1OC ZINC001462096891 937617476 /nfs/dbraw/zinc/61/74/76/937617476.db2.gz VRCQQYXENVLGNG-JTQLQIEISA-N 1 0 293.388 3.322 20 10 CGCDRO CC[C@H]1CC[N@H+](Cc2cc(C)cc(OC)c2O)[C@@H]1C ZINC001462124075 937619501 /nfs/dbraw/zinc/61/95/01/937619501.db2.gz LNQFBXKMKOKXFU-OLZOCXBDSA-N 1 0 263.381 3.330 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CCC[C@@](C)(OC)CC2)c(O)c1 ZINC001462201628 937625027 /nfs/dbraw/zinc/62/50/27/937625027.db2.gz PCUYUMRPZRQHIY-QGZVFWFLSA-N 1 0 293.407 3.100 20 10 CGCDRO CCC[C@H](C[NH2+][C@H](C)Cc1ccc(N(C)C)cc1C)OC ZINC001462353074 937635253 /nfs/dbraw/zinc/63/52/53/937635253.db2.gz DBMORSALKCRZLF-CRAIPNDOSA-N 1 0 292.467 3.397 20 10 CGCDRO Cc1coc(C[NH2+]Cc2cc(Cl)ccc2O)c1 ZINC001462400772 937637762 /nfs/dbraw/zinc/63/77/62/937637762.db2.gz ZTRPJIOCRCHPFC-UHFFFAOYSA-N 1 0 251.713 3.237 20 10 CGCDRO COC[C@@H](Cc1ccccc1)[N@H+](C)Cc1ccc(C)cc1O ZINC001308740106 933168331 /nfs/dbraw/zinc/16/83/31/933168331.db2.gz NCEYRSCHOSLPJJ-GOSISDBHSA-N 1 0 299.414 3.390 20 10 CGCDRO COc1cccc(C[NH2+]C2CCC3(CSC3)CC2)c1O ZINC001308743524 933169029 /nfs/dbraw/zinc/16/90/29/933169029.db2.gz WTDLCLFWMVNBKZ-UHFFFAOYSA-N 1 0 293.432 3.166 20 10 CGCDRO CO[C@@](C)(C[NH2+]Cc1ccc(C)cc1O)c1ccccc1 ZINC001308773107 933173625 /nfs/dbraw/zinc/17/36/25/933173625.db2.gz FSVGYEPFLIWPBZ-SFHVURJKSA-N 1 0 285.387 3.352 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@@H]2C[C@H]2CC(C)C)c1O ZINC001308810875 933181511 /nfs/dbraw/zinc/18/15/11/933181511.db2.gz XKXLNNXWBBWIDE-TZMCWYRMSA-N 1 0 263.381 3.233 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2C[C@H](C)[C@H](C)[C@@H]2C)c(O)c1 ZINC001308827307 933185884 /nfs/dbraw/zinc/18/58/84/933185884.db2.gz ZCDNXLAXCYWLMW-AVGNSLFASA-N 1 0 263.381 3.186 20 10 CGCDRO CCC[C@H](CCO)[NH2+]Cc1cc(C(C)C)ccc1O ZINC001308899918 933199806 /nfs/dbraw/zinc/19/98/06/933199806.db2.gz NWPREOSJRJFMAS-OAHLLOKOSA-N 1 0 265.397 3.156 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2C[C@H]3[C@H]4C=C[C@H](C4)[C@@]3(C)C2)c(O)c1 ZINC001308961471 933214922 /nfs/dbraw/zinc/21/49/22/933214922.db2.gz XBVAFUSUEFAISL-BDEJMISXSA-N 1 0 299.414 3.353 20 10 CGCDRO Oc1ccc(-c2ccccc2)cc1C[N@H+]1C[C@H](O)C2(CC2)C1 ZINC001320485534 934052948 /nfs/dbraw/zinc/05/29/48/934052948.db2.gz GHGCPNKPMFJJSW-SFHVURJKSA-N 1 0 295.382 3.016 20 10 CGCDRO C[C@H](CO)[N@H+](Cc1ccccc1)Cc1ccc(N(C)C)cc1 ZINC001320884733 934117486 /nfs/dbraw/zinc/11/74/86/934117486.db2.gz FACBRXGIHXKCHF-MRXNPFEDSA-N 1 0 298.430 3.136 20 10 CGCDRO Cc1cc(O)c(C[N@H+](C)CCC(F)(F)F)cc1C ZINC001324142765 934464239 /nfs/dbraw/zinc/46/42/39/934464239.db2.gz CWWMFGCJFCNZPH-UHFFFAOYSA-N 1 0 261.287 3.393 20 10 CGCDRO CO[C@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)C[C@@H]1C ZINC001325127500 934888329 /nfs/dbraw/zinc/88/83/29/934888329.db2.gz HSFHFWRGCRRDFX-YJBOKZPZSA-N 1 0 288.435 3.144 20 10 CGCDRO C[C@@H](O)[C@@H](C)[NH2+]Cc1ccc(N(C)C2CCCCC2)cc1 ZINC001326584470 934992243 /nfs/dbraw/zinc/99/22/43/934992243.db2.gz NZIGFZTYGRLBKI-HUUCEWRRSA-N 1 0 290.451 3.314 20 10 CGCDRO Cn1cc(-c2ccc(C[NH2+]Cc3ccccc3O)cc2)cn1 ZINC001326825917 935010667 /nfs/dbraw/zinc/01/06/67/935010667.db2.gz AUFNVUVXIFLJFK-UHFFFAOYSA-N 1 0 293.370 3.083 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCC[C@@H](F)C2)cc1C ZINC001329497942 935221300 /nfs/dbraw/zinc/22/13/00/935221300.db2.gz ALPSNJSIYHMHJX-ZIAGYGMSSA-N 1 0 251.345 3.379 20 10 CGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]CCC1(CO)CCC1 ZINC001329675673 935238917 /nfs/dbraw/zinc/23/89/17/935238917.db2.gz RIWLHDYPRIUJJO-KBPBESRZSA-N 1 0 289.419 3.391 20 10 CGCDRO Oc1ccc2ccncc2c1C[N@@H+]1CCC[C@@H](CF)C1 ZINC001332136982 935442707 /nfs/dbraw/zinc/44/27/07/935442707.db2.gz UREYIDVJGYANTG-LBPRGKRZSA-N 1 0 274.339 3.122 20 10 CGCDRO COCC[N@H+](Cc1ccc(N)cc1)[C@H](C)c1ccccc1 ZINC001334753462 936111948 /nfs/dbraw/zinc/11/19/48/936111948.db2.gz DORLZFSJGNWTRM-OAHLLOKOSA-N 1 0 284.403 3.478 20 10 CGCDRO CC(C)[C@@H](CO)[N@H+](Cc1ccccc1)Cc1ccc(N)cc1 ZINC001336286185 936186193 /nfs/dbraw/zinc/18/61/93/936186193.db2.gz ODVQGJWUIYHDSU-LJQANCHMSA-N 1 0 298.430 3.288 20 10 CGCDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2C[C@@H]3CCC[C@H]23)cc1F ZINC001474293642 937848593 /nfs/dbraw/zinc/84/85/93/937848593.db2.gz CQNSLGVTCDULMX-ITDIGPHOSA-N 1 0 280.362 3.309 20 10 CGCDRO COC(=O)CC(C)(C)[N@H+](C)Cc1cc(C(C)C)ccc1O ZINC001474368979 937854479 /nfs/dbraw/zinc/85/44/79/937854479.db2.gz DTUMQUKLMNMQQX-UHFFFAOYSA-N 1 0 293.407 3.289 20 10 CGCDRO CCC(O)(CC)CC[NH2+]Cc1ccc(Cl)cc1O ZINC001474445481 937860542 /nfs/dbraw/zinc/86/05/42/937860542.db2.gz GBMHPRBZVFNDON-UHFFFAOYSA-N 1 0 271.788 3.076 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCOCC23CCCCC3)c(O)c1 ZINC001474524575 937864989 /nfs/dbraw/zinc/86/49/89/937864989.db2.gz CCOKATKKEKUXSF-UHFFFAOYSA-N 1 0 275.392 3.236 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H]3[C@H](C2)C3(F)F)c(Cl)c1 ZINC001474572433 937868131 /nfs/dbraw/zinc/86/81/31/937868131.db2.gz VKOBUVBZBOMGCK-MNOVXSKESA-N 1 0 287.737 3.441 20 10 CGCDRO CCc1cccc(C[N@@H+]2Cc3cccc(O)c3C2)c1 ZINC001474677895 937874414 /nfs/dbraw/zinc/87/44/14/937874414.db2.gz YWMPCBJZPATDAO-UHFFFAOYSA-N 1 0 253.345 3.470 20 10 CGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1CCC[C@H]1CCO ZINC001560448824 938258993 /nfs/dbraw/zinc/25/89/93/938258993.db2.gz QSSLXJFVFYYJFV-GOEBONIOSA-N 1 0 286.419 3.127 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CC[C@H](C3CC3)O2)c(Cl)c1 ZINC001560605733 938265022 /nfs/dbraw/zinc/26/50/22/938265022.db2.gz WKOAIBMNZXOSJO-BLLLJJGKSA-N 1 0 295.810 3.401 20 10 CGCDRO COc1cc(C)c(C[NH2+]C[C@H]2CCCCS2)c(O)c1 ZINC001560704684 938271285 /nfs/dbraw/zinc/27/12/85/938271285.db2.gz PRCXOZMOEUKLCQ-CYBMUJFWSA-N 1 0 281.421 3.085 20 10 CGCDRO CC[C@](C)(CC(=O)OC)[NH2+]Cc1cc(C(C)C)ccc1O ZINC001560740920 938273377 /nfs/dbraw/zinc/27/33/77/938273377.db2.gz HEBMPVPTGUMMAT-QGZVFWFLSA-N 1 0 293.407 3.337 20 10 CGCDRO COC1(C[NH2+]Cc2ccc(C)cc2O)CCC(C)CC1 ZINC001560803467 938276853 /nfs/dbraw/zinc/27/68/53/938276853.db2.gz XMNCQZDLMYCTTM-UHFFFAOYSA-N 1 0 277.408 3.386 20 10 CGCDRO CCc1cccc(C[N@H+](C)[C@@H]2C[C@H](OC)C23CCC3)c1O ZINC001560835033 938278841 /nfs/dbraw/zinc/27/88/41/938278841.db2.gz YHEYDQVSRBWGRX-CVEARBPZSA-N 1 0 289.419 3.344 20 10 CGCDRO CCc1cccc(C[N@H+](C)[C@H]2C[C@H](OC)C23CCC3)c1O ZINC001560835034 938278904 /nfs/dbraw/zinc/27/89/04/938278904.db2.gz YHEYDQVSRBWGRX-HOTGVXAUSA-N 1 0 289.419 3.344 20 10 CGCDRO CCOC1CC([N@H+](C)C/C=C\c2ccc(N(C)C)cc2)C1 ZINC001560861866 938280405 /nfs/dbraw/zinc/28/04/05/938280405.db2.gz ZCXLPKMUWDXDKC-SREVYHEPSA-N 1 0 288.435 3.265 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(Cl)cc1O)[C@H](O)c1ccccc1 ZINC001560868726 938280798 /nfs/dbraw/zinc/28/07/98/938280798.db2.gz MKSUEVLUKQUMEV-BZNIZROVSA-N 1 0 291.778 3.257 20 10 CGCDRO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Cl)cc1O ZINC001560883586 938281755 /nfs/dbraw/zinc/28/17/55/938281755.db2.gz ZFTLPXWKDPETST-TZMCWYRMSA-N 1 0 269.772 3.093 20 10 CGCDRO C[C@H]([NH2+]Cc1cccc(Cl)c1N)c1ccccc1O ZINC001461728589 960500532 /nfs/dbraw/zinc/50/05/32/960500532.db2.gz HNSYCOGGMKGPIN-JTQLQIEISA-N 1 0 276.767 3.479 20 10 CGCDRO C=C/C=C\CC[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001461723649 960502143 /nfs/dbraw/zinc/50/21/43/960502143.db2.gz SZXHPLWMFQDKFI-WAYWQWQTSA-N 1 0 266.335 3.253 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1ccc(N(C)C)cc1 ZINC000268851941 299384112 /nfs/dbraw/zinc/38/41/12/299384112.db2.gz WPYLIQNQANLMAY-SUMWQHHRSA-N 1 0 298.434 3.214 20 10 CGCDRO COc1ccccc1[C@@H](C)[NH2+]Cc1ccccc1O ZINC000020096673 368801665 /nfs/dbraw/zinc/80/16/65/368801665.db2.gz SFTXKXFVOWJJMG-GFCCVEGCSA-N 1 0 257.333 3.252 20 10 CGCDRO C[C@H]([NH2+]C1CCOCC1)c1ccc2ccccc2c1O ZINC000036319435 369017199 /nfs/dbraw/zinc/01/71/99/369017199.db2.gz JWKXGSKXKIOWIB-LBPRGKRZSA-N 1 0 271.360 3.375 20 10 CGCDRO Cc1n[nH]cc1CCC[NH2+][C@H](C)c1cc(C)ccc1O ZINC000050182664 369432187 /nfs/dbraw/zinc/43/21/87/369432187.db2.gz FDVVMRVDGMHFNZ-CYBMUJFWSA-N 1 0 273.380 3.016 20 10 CGCDRO Cc1cc(O)c(CN2CCC[C@H]([NH+]3CCCC3)C2)cc1C ZINC000092046833 370089492 /nfs/dbraw/zinc/08/94/92/370089492.db2.gz NGVHNHYZUDZGMF-KRWDZBQOSA-N 1 0 288.435 3.069 20 10 CGCDRO CCC[N@H+](Cc1cnn(CC)c1)Cc1ccccc1O ZINC000092704966 370100373 /nfs/dbraw/zinc/10/03/73/370100373.db2.gz DWUOFQMEXVZQDI-UHFFFAOYSA-N 1 0 273.380 3.021 20 10 CGCDRO COCc1ccc(C[NH2+]Cc2c(O)cccc2Cl)cc1 ZINC000113318320 370471742 /nfs/dbraw/zinc/47/17/42/370471742.db2.gz IZQPNPZVGANIJH-UHFFFAOYSA-N 1 0 291.778 3.482 20 10 CGCDRO CCOC[C@@H]1CCC[N@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000113922577 370487690 /nfs/dbraw/zinc/48/76/90/370487690.db2.gz MIOJTKCAMIEBKK-OAHLLOKOSA-N 1 0 277.408 3.258 20 10 CGCDRO CSC[C@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000134922512 371375477 /nfs/dbraw/zinc/37/54/77/371375477.db2.gz FBUMNEKWCVHSNW-IUCAKERBSA-N 1 0 259.802 3.448 20 10 CGCDRO CS[C@H](C)C[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000134937470 371378248 /nfs/dbraw/zinc/37/82/48/371378248.db2.gz SULJUKLYSYLUPA-BDAKNGLRSA-N 1 0 259.802 3.448 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1CCOC[C@H]1C)c1cc(Cl)ccc1O ZINC000287375473 371644960 /nfs/dbraw/zinc/64/49/60/371644960.db2.gz HYJILWPJUVSDDS-GRYCIOLGSA-N 1 0 283.799 3.369 20 10 CGCDRO CCOCC(C)(C)C[NH2+][C@H](C)c1ccc(C)cc1O ZINC000290213494 371936508 /nfs/dbraw/zinc/93/65/08/371936508.db2.gz HLKWTEPUGILGCV-CYBMUJFWSA-N 1 0 265.397 3.414 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H](C)N(C)C2CC2)c(O)c1 ZINC000293565200 372413101 /nfs/dbraw/zinc/41/31/01/372413101.db2.gz DCUIRYRJIJXYJD-KBPBESRZSA-N 1 0 276.424 3.142 20 10 CGCDRO Oc1ccc(-c2ccccc2)cc1C[N@H+]1CCC[C@@H](O)CC1 ZINC000293924036 372527057 /nfs/dbraw/zinc/52/70/57/372527057.db2.gz GXZMBJPSUSNYSI-GOSISDBHSA-N 1 0 297.398 3.406 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C2CCSCC2)c(O)c1 ZINC000168832114 372620781 /nfs/dbraw/zinc/62/07/81/372620781.db2.gz LQCFVVSQZXCHQL-NSHDSACASA-N 1 0 251.395 3.247 20 10 CGCDRO C[C@@H]([NH2+]C1CCSCC1)c1cc(F)ccc1O ZINC000168832314 372621707 /nfs/dbraw/zinc/62/17/07/372621707.db2.gz DLTHAUKMISJXOW-SECBINFHSA-N 1 0 255.358 3.078 20 10 CGCDRO CC[C@H](C)[C@@H](C[NH2+][C@@H](C)c1ccccc1O)OC ZINC000294285536 372639016 /nfs/dbraw/zinc/63/90/16/372639016.db2.gz TVISGQGDAXGWMA-SLEUVZQESA-N 1 0 251.370 3.104 20 10 CGCDRO Cc1cccc(CNc2ccc3c([nH+]2)CCC3)c1O ZINC000294895891 372676911 /nfs/dbraw/zinc/67/69/11/372676911.db2.gz RDNPJOYATQAVHB-UHFFFAOYSA-N 1 0 254.333 3.196 20 10 CGCDRO CC[C@H](COCC(F)(F)F)[NH2+]Cc1cc(C)ccc1O ZINC000295162698 372696122 /nfs/dbraw/zinc/69/61/22/372696122.db2.gz SJPYLXCVLBMRAA-GFCCVEGCSA-N 1 0 291.313 3.148 20 10 CGCDRO CCn1cc([C@@H](C)[NH2+][C@H](C)c2ccc(C)cc2O)cn1 ZINC000295876050 372944071 /nfs/dbraw/zinc/94/40/71/372944071.db2.gz GOBJKNSLTMWAFW-CHWSQXEVSA-N 1 0 273.380 3.329 20 10 CGCDRO CN(Cc1cccs1)c1ccc(C[NH2+]CCF)cc1 ZINC000295919662 372958032 /nfs/dbraw/zinc/95/80/32/372958032.db2.gz ACLJERUJJPIRLZ-UHFFFAOYSA-N 1 0 278.396 3.444 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCOC2(C)C)c(O)c1C ZINC000296359492 373101935 /nfs/dbraw/zinc/10/19/35/373101935.db2.gz IRMDYVZTXCMJDU-GXTWGEPZSA-N 1 0 263.381 3.227 20 10 CGCDRO Cc1noc(C)c1[C@@H](C)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296819357 373247725 /nfs/dbraw/zinc/24/77/25/373247725.db2.gz MDJNMOXTRRFCMC-IINYFYTJSA-N 1 0 286.375 3.378 20 10 CGCDRO CC[C@H](CSC)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296869301 373249861 /nfs/dbraw/zinc/24/98/61/373249861.db2.gz NVCKAQWVSRSIAI-NEPJUHHUSA-N 1 0 251.395 3.111 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CC[C@H](C)CCO)cc1 ZINC000297195889 373261998 /nfs/dbraw/zinc/26/19/98/373261998.db2.gz FSRUXOXWVDPNBO-GJZGRUSLSA-N 1 0 278.440 3.202 20 10 CGCDRO C[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1)c1ccccc1O ZINC000179890574 373935761 /nfs/dbraw/zinc/93/57/61/373935761.db2.gz JDWILDAGIUMQSZ-BZNIZROVSA-N 1 0 291.778 3.430 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCCOCC2)cc1 ZINC000183338631 374404289 /nfs/dbraw/zinc/40/42/89/374404289.db2.gz BKYMEKXFHQMYIZ-GDBMZVCRSA-N 1 0 276.424 3.362 20 10 CGCDRO C[C@H]([NH2+]CCCc1ccccn1)c1ccccc1O ZINC000183622831 374434288 /nfs/dbraw/zinc/43/42/88/374434288.db2.gz QYCZOSTXOGWHNI-ZDUSSCGKSA-N 1 0 256.349 3.071 20 10 CGCDRO C[C@@H]([NH2+]CCOc1ccc(F)c(F)c1)c1ccccc1O ZINC000183597904 374431998 /nfs/dbraw/zinc/43/19/98/374431998.db2.gz JJPRGEDTZMGBFQ-LLVKDONJSA-N 1 0 293.313 3.400 20 10 CGCDRO COCCC1(C[NH2+][C@H](C)c2cc(F)ccc2O)CCC1 ZINC000185753718 374729990 /nfs/dbraw/zinc/72/99/90/374729990.db2.gz MGMKHNQZXAJGCJ-GFCCVEGCSA-N 1 0 281.371 3.389 20 10 CGCDRO C[C@H]([NH2+]CCCCCO)c1ccc(N2CCCCC2)cc1 ZINC000192933125 375805096 /nfs/dbraw/zinc/80/50/96/375805096.db2.gz XVKLSKYAVVTNEB-INIZCTEOSA-N 1 0 290.451 3.490 20 10 CGCDRO COC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccccc1 ZINC000226652843 376368556 /nfs/dbraw/zinc/36/85/56/376368556.db2.gz MKAGLCUTOFNUEA-GOSISDBHSA-N 1 0 284.403 3.230 20 10 CGCDRO COc1cc(Cl)cc(C[N@H+](C)C[C@H]2CCCCO2)c1O ZINC000228631118 376444393 /nfs/dbraw/zinc/44/43/93/376444393.db2.gz JKVDJUTZNHWLJA-CYBMUJFWSA-N 1 0 299.798 3.055 20 10 CGCDRO Cc1cccc(C[NH2+]C[C@H](C)c2nccs2)c1O ZINC000230694080 376535357 /nfs/dbraw/zinc/53/53/57/376535357.db2.gz CBJYYKMQNZMFHG-NSHDSACASA-N 1 0 262.378 3.050 20 10 CGCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]C[C@@H]1CCC[C@H]1O ZINC000266130886 378014476 /nfs/dbraw/zinc/01/44/76/378014476.db2.gz CUWIUTDMXKTHSB-FUHWJXTLSA-N 1 0 297.398 3.310 20 10 CGCDRO CC[C@H](O)CC[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000268690253 378091183 /nfs/dbraw/zinc/09/11/83/378091183.db2.gz REQKKKOQGMHMJV-KRWDZBQOSA-N 1 0 285.387 3.310 20 10 CGCDRO C[C@@]1(O)CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000271220067 378483219 /nfs/dbraw/zinc/48/32/19/378483219.db2.gz OSMJLIMNFFZJAO-GOSISDBHSA-N 1 0 283.371 3.016 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCO[C@@H](c3ccccc3)C2)c1O ZINC000271802222 378504063 /nfs/dbraw/zinc/50/40/63/378504063.db2.gz LNYNIPSAHWNGHT-QGZVFWFLSA-N 1 0 283.371 3.274 20 10 CGCDRO Cc1nccn1CCC[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000272007796 378544449 /nfs/dbraw/zinc/54/44/49/378544449.db2.gz JKPFAWSTJTVLCS-UHFFFAOYSA-N 1 0 293.798 3.039 20 10 CGCDRO C[NH+](C)CCCC1CC[NH+](Cc2cccc(F)c2[O-])CC1 ZINC000272329512 378613586 /nfs/dbraw/zinc/61/35/86/378613586.db2.gz WDLYYQYNAYXDKP-UHFFFAOYSA-N 1 0 294.414 3.085 20 10 CGCDRO COc1ncccc1C[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000273395013 378743331 /nfs/dbraw/zinc/74/33/31/378743331.db2.gz LTPIYMSHVYTKAD-CYBMUJFWSA-N 1 0 286.375 3.263 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccccc2)c(O)c1C ZINC000273433925 378746401 /nfs/dbraw/zinc/74/64/01/378746401.db2.gz WLPIMCSPTCFJLW-PBHICJAKSA-N 1 0 285.387 3.393 20 10 CGCDRO C[C@H](Cn1ccnc1)[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000273432151 378746738 /nfs/dbraw/zinc/74/67/38/378746738.db2.gz VVKWSVXSKRGGOC-ZIAGYGMSSA-N 1 0 295.386 3.481 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCOCC2)c(O)c1C ZINC000273518052 378750511 /nfs/dbraw/zinc/75/05/11/378750511.db2.gz SYPIWYCGFDOSJZ-ZIAGYGMSSA-N 1 0 263.381 3.229 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1cnn(C)c1)c1cc(Cl)ccc1O ZINC000273551311 378751756 /nfs/dbraw/zinc/75/17/56/378751756.db2.gz GBUKKXNNJRXSJO-VHSXEESVSA-N 1 0 279.771 3.191 20 10 CGCDRO COCC[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000273589383 378754734 /nfs/dbraw/zinc/75/47/34/378754734.db2.gz OVOVUHRKAGHSKI-YPMHNXCESA-N 1 0 251.370 3.085 20 10 CGCDRO CC[C@H](CCO)C[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000273595931 378755191 /nfs/dbraw/zinc/75/51/91/378755191.db2.gz QPFRPEWXJYUZRD-ZIAGYGMSSA-N 1 0 265.397 3.068 20 10 CGCDRO Oc1ccc2ccccc2c1C[N@@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000373229353 379244115 /nfs/dbraw/zinc/24/41/15/379244115.db2.gz KRXMMLQJTRRPOI-KBXCAEBGSA-N 1 0 283.371 3.156 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCC[C@H]2c2nccs2)c1O ZINC000375017635 379484589 /nfs/dbraw/zinc/48/45/89/379484589.db2.gz HONRPWUGPUOXIB-ZDUSSCGKSA-N 1 0 274.389 3.494 20 10 CGCDRO CCOCc1cc(C[NH2+]CCCSCC)ccc1OC ZINC000282087372 379850596 /nfs/dbraw/zinc/85/05/96/379850596.db2.gz RSHUPGAMSXVWAZ-UHFFFAOYSA-N 1 0 297.464 3.465 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCC2(O)CCC2)cc1 ZINC000284502744 380140303 /nfs/dbraw/zinc/14/03/03/380140303.db2.gz XSNVGDLZSHEIEK-CQSZACIVSA-N 1 0 276.424 3.098 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCOC(C)C)c(O)c1 ZINC000284983126 380142825 /nfs/dbraw/zinc/14/28/25/380142825.db2.gz GEHUSCGPANIQCK-CYBMUJFWSA-N 1 0 251.370 3.085 20 10 CGCDRO CCC[C@@H](CCO)C[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000284148967 380130445 /nfs/dbraw/zinc/13/04/45/380130445.db2.gz PDYFJKHOFFVNHG-GJZGRUSLSA-N 1 0 279.424 3.458 20 10 CGCDRO CC[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(F)cc1[O-] ZINC000285572356 380150828 /nfs/dbraw/zinc/15/08/28/380150828.db2.gz IBGAKMCRZXUSFV-WBMJQRKESA-N 1 0 292.398 3.056 20 10 CGCDRO C[C@H]([NH2+]C[C@@]1(C)CCO[C@H]1C1CC1)c1cc(F)ccc1O ZINC000364151705 382263222 /nfs/dbraw/zinc/26/32/22/382263222.db2.gz UWIZLNMWVAEMGE-MZPVMMEZSA-N 1 0 293.382 3.387 20 10 CGCDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCc3cccc(O)c32)cc1 ZINC000297589227 285111330 /nfs/dbraw/zinc/11/13/30/285111330.db2.gz HNYKVCABVXJEOL-HNNXBMFYSA-N 1 0 298.342 3.120 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)C[C@@H]2CCOC2)cc1F ZINC000093839893 392240730 /nfs/dbraw/zinc/24/07/30/392240730.db2.gz PMAMKWDQFYHQCY-HNNXBMFYSA-N 1 0 294.414 3.140 20 10 CGCDRO COc1cccc(C[NH2+]C[C@@H]2CCCC(F)(F)C2)c1O ZINC000281935768 392259384 /nfs/dbraw/zinc/25/93/84/392259384.db2.gz HQGHLPNXIWGOJH-LLVKDONJSA-N 1 0 285.334 3.316 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)cc1C ZINC000374154943 392671547 /nfs/dbraw/zinc/67/15/47/392671547.db2.gz BHVWJCRLWGCVAP-USXIJHARSA-N 1 0 289.419 3.302 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+][C@@H](C)c2ccccn2)c1O ZINC000228669115 393020159 /nfs/dbraw/zinc/02/01/59/393020159.db2.gz IDJCVCWNNULMOZ-JTQLQIEISA-N 1 0 292.766 3.300 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+][C@H]1CCCC13CCOCC3)CC2 ZINC000296299477 296592911 /nfs/dbraw/zinc/59/29/11/296592911.db2.gz DNQJLOIBGWAANO-ZBFHGGJFSA-N 1 0 287.403 3.318 20 10 CGCDRO CCOc1cccc(C[NH2+]Cc2cccc(C)c2)c1O ZINC000020134042 171022026 /nfs/dbraw/zinc/02/20/26/171022026.db2.gz YXSCVPWTIIBBFU-UHFFFAOYSA-N 1 0 271.360 3.389 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccccc1O ZINC000020146046 171032101 /nfs/dbraw/zinc/03/21/01/171032101.db2.gz BCDDFEANPUYCPE-CYBMUJFWSA-N 1 0 270.376 3.309 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccccc2)c(O)c1 ZINC000035601175 172290268 /nfs/dbraw/zinc/29/02/68/172290268.db2.gz UKMWQQHXKPCSPT-CXAGYDPISA-N 1 0 271.360 3.085 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc3c(c2)CCO3)o1 ZINC000037363221 173152967 /nfs/dbraw/zinc/15/29/67/173152967.db2.gz NRNCQLGQZSQVQM-LBPRGKRZSA-N 1 0 257.333 3.374 20 10 CGCDRO Cc1csc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000038091029 174105052 /nfs/dbraw/zinc/10/50/52/174105052.db2.gz UNXRBPXMQGKLJG-LBPRGKRZSA-N 1 0 275.421 3.368 20 10 CGCDRO COc1ccccc1[C@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000037362732 260094555 /nfs/dbraw/zinc/09/45/55/260094555.db2.gz COCLVDQTLGTFQC-ZDUSSCGKSA-N 1 0 283.371 3.481 20 10 CGCDRO Cc1nc(C)c([C@H](C)[NH2+]CCc2ccc(N)cc2)s1 ZINC000049538786 260664007 /nfs/dbraw/zinc/66/40/07/260664007.db2.gz JIBAFBSIQSSRSW-JTQLQIEISA-N 1 0 275.421 3.235 20 10 CGCDRO CC[C@H]([NH2+]CC(C)(C)[C@@H](O)C(C)C)c1ccccc1O ZINC000156910680 261134666 /nfs/dbraw/zinc/13/46/66/261134666.db2.gz XPWPMQSZRRZMOE-HOCLYGCPSA-N 1 0 279.424 3.476 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCO[C@H](C2CC2)C1)c1ccccc1O ZINC000157892060 261155052 /nfs/dbraw/zinc/15/50/52/261155052.db2.gz WXAGJGFVKDYSNM-KFNAQCHYSA-N 1 0 261.365 3.000 20 10 CGCDRO OCC[N@H+](Cc1ccccc1)Cc1c(O)cccc1Cl ZINC000158322794 261163617 /nfs/dbraw/zinc/16/36/17/261163617.db2.gz GHUBALUKPIHPSM-UHFFFAOYSA-N 1 0 291.778 3.040 20 10 CGCDRO COc1ccccc1C[N@H+](C)Cc1cccc(OC)c1O ZINC000160421274 261213941 /nfs/dbraw/zinc/21/39/41/261213941.db2.gz UPXBWQZCZZEZAD-UHFFFAOYSA-N 1 0 287.359 3.041 20 10 CGCDRO Oc1ccccc1C[NH2+]C1CC(c2ccccc2)C1 ZINC000105492464 261359664 /nfs/dbraw/zinc/35/96/64/261359664.db2.gz FABHPYNBHAIWLD-UHFFFAOYSA-N 1 0 253.345 3.428 20 10 CGCDRO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000184985362 262035871 /nfs/dbraw/zinc/03/58/71/262035871.db2.gz DVCXQLKOQYGTIJ-YPMHNXCESA-N 1 0 279.380 3.030 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)c2cccc(F)c2)c1 ZINC000185162348 262043243 /nfs/dbraw/zinc/04/32/43/262043243.db2.gz DOEOVECHSRDBKA-YVEFUNNKSA-N 1 0 289.350 3.224 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H](O)C1CCCCC1)c1cc(F)ccc1O ZINC000185328426 262050654 /nfs/dbraw/zinc/05/06/54/262050654.db2.gz WKTFOBBHRRBWPT-BDJLRTHQSA-N 1 0 281.371 3.123 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)C2CCCCC2)c1 ZINC000185327785 262050669 /nfs/dbraw/zinc/05/06/69/262050669.db2.gz SJVTUBDKMCOHCK-DYVFJYSZSA-N 1 0 277.408 3.292 20 10 CGCDRO Cc1nn(C)cc1[C@H](C)[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000185349345 262051506 /nfs/dbraw/zinc/05/15/06/262051506.db2.gz SQTPUBXSOCPOES-ZJUUUORDSA-N 1 0 293.798 3.499 20 10 CGCDRO Cc1ccccc1[C@H](O)C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000185435906 262053862 /nfs/dbraw/zinc/05/38/62/262053862.db2.gz NSRVWAPLMQHCGL-SJKOYZFVSA-N 1 0 289.350 3.224 20 10 CGCDRO CCCC[C@@H](COC)[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000185494589 262057158 /nfs/dbraw/zinc/05/71/58/262057158.db2.gz ODKUKVLAPOBUMX-OLZOCXBDSA-N 1 0 281.396 3.257 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](CCO)CC(C)C)c1 ZINC000185614909 262062402 /nfs/dbraw/zinc/06/24/02/262062402.db2.gz BLRSEENTWBUOKV-UONOGXRCSA-N 1 0 295.423 3.096 20 10 CGCDRO Cc1cccc([C@@H](O)C[NH2+][C@@H](C)c2cc(C)ccc2O)c1 ZINC000186124414 262080704 /nfs/dbraw/zinc/08/07/04/262080704.db2.gz JWXVHINQZXTNAY-KSSFIOAISA-N 1 0 285.387 3.393 20 10 CGCDRO Cc1cccc([C@H](O)C[NH2+][C@H](C)c2cc(F)ccc2O)c1 ZINC000186125169 262081102 /nfs/dbraw/zinc/08/11/02/262081102.db2.gz PFWBBDCVSBGMOX-SJKOYZFVSA-N 1 0 289.350 3.224 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CC(C)(C)[C@H](O)C(C)C)c1 ZINC000186174541 262082558 /nfs/dbraw/zinc/08/25/58/262082558.db2.gz FCPHQDCTNCDLOW-XJKSGUPXSA-N 1 0 279.424 3.394 20 10 CGCDRO C[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])c1nccs1 ZINC000186727423 262322365 /nfs/dbraw/zinc/32/23/65/262322365.db2.gz QOKTWETXUHNHHE-ZJUUUORDSA-N 1 0 280.368 3.442 20 10 CGCDRO Cc1cc(O)c(C[NH+]2CCC3(CCOCC3)CC2)cc1C ZINC000284051620 263085560 /nfs/dbraw/zinc/08/55/60/263085560.db2.gz JIGDIRLETHTRRB-UHFFFAOYSA-N 1 0 289.419 3.402 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2CC[C@H](N3CCCC3)[C@H]2C)cc1C ZINC000288135283 263103549 /nfs/dbraw/zinc/10/35/49/263103549.db2.gz ABQFQFFCYGATTE-WBVHZDCISA-N 1 0 288.435 3.068 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H](OC)C2CC2)cc1 ZINC000293866425 263151330 /nfs/dbraw/zinc/15/13/30/263151330.db2.gz ZJCXEGGKIZXBSX-GUYCJALGSA-N 1 0 276.424 3.218 20 10 CGCDRO C[C@@H](CCO)[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000293864312 264984975 /nfs/dbraw/zinc/98/49/75/264984975.db2.gz UQVJSKJZTVGULB-MAUKXSAKSA-N 1 0 299.414 3.427 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)c1O ZINC000367740020 267114559 /nfs/dbraw/zinc/11/45/59/267114559.db2.gz IXSLTCAQVZOLRK-STQMWFEESA-N 1 0 295.810 3.212 20 10 CGCDRO CN(C)c1ccc(C[NH2+]Cc2cc(F)c(F)c(F)c2)cc1 ZINC000062705935 276883603 /nfs/dbraw/zinc/88/36/03/276883603.db2.gz SDJUMBPXJILOLE-UHFFFAOYSA-N 1 0 294.320 3.460 20 10 CGCDRO CCCn1nc(C)c(C[N@H+](C)Cc2ccccc2O)c1C ZINC000091956496 327188015 /nfs/dbraw/zinc/18/80/15/327188015.db2.gz BDKXHRYSKGPLQU-UHFFFAOYSA-N 1 0 287.407 3.248 20 10 CGCDRO CC[C@@H](C)[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000152172482 327250780 /nfs/dbraw/zinc/25/07/80/327250780.db2.gz ALSAAAYANCXTEP-CYBMUJFWSA-N 1 0 262.397 3.052 20 10 CGCDRO C[C@@](O)(C[NH2+]Cc1ccccc1O)c1ccccc1Cl ZINC000156655558 327610038 /nfs/dbraw/zinc/61/00/38/327610038.db2.gz QHTCVSCBSKLSKS-MRXNPFEDSA-N 1 0 291.778 3.043 20 10 CGCDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000377835658 329030950 /nfs/dbraw/zinc/03/09/50/329030950.db2.gz VPWSUHOYQXICLE-KGLIPLIRSA-N 1 0 293.382 3.170 20 10 CGCDRO COc1cccc(C[N@@H+]2CC3(CCC3)[C@H]2C2CC2)c1O ZINC000378142213 329041395 /nfs/dbraw/zinc/04/13/95/329041395.db2.gz SEQSSHXZOMWUAN-MRXNPFEDSA-N 1 0 273.376 3.165 20 10 CGCDRO Oc1ccccc1C[N@H+]1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000378494312 329052895 /nfs/dbraw/zinc/05/28/95/329052895.db2.gz KQNYFVRCJJMXFZ-IEBWSBKVSA-N 1 0 297.398 3.480 20 10 CGCDRO C[C@H]([NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C)c1ccccc1O ZINC000378641626 329057708 /nfs/dbraw/zinc/05/77/08/329057708.db2.gz ZAZDTXHYDRXYMP-KSZJFAHPSA-N 1 0 275.392 3.246 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC2(SC)CCC2)c1 ZINC000193812670 329063151 /nfs/dbraw/zinc/06/31/51/329063151.db2.gz OXHWTQXGIVMKGF-LLVKDONJSA-N 1 0 281.421 3.337 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000186439753 329342324 /nfs/dbraw/zinc/34/23/24/329342324.db2.gz OBMBPABPCRGJNH-SFHVURJKSA-N 1 0 281.355 3.024 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCc3n[nH]cc3C2)cc1 ZINC000246390164 329845949 /nfs/dbraw/zinc/84/59/49/329845949.db2.gz KRTDELOLQBQXAB-BBRMVZONSA-N 1 0 298.434 3.074 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CC[C@H]2CCCOC2)c(Cl)c1 ZINC000527739607 330282609 /nfs/dbraw/zinc/28/26/09/330282609.db2.gz PFZOTAMQUFKFSL-GFCCVEGCSA-N 1 0 283.799 3.260 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cccnc2C)c1 ZINC000527984708 330298569 /nfs/dbraw/zinc/29/85/69/330298569.db2.gz DDWNFQCQTYEGJQ-CYBMUJFWSA-N 1 0 256.349 3.255 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CCC[C@H](C)CO)cc1 ZINC000230160400 333315456 /nfs/dbraw/zinc/31/54/56/333315456.db2.gz YAEAXJBUPUMVOU-HNNXBMFYSA-N 1 0 278.440 3.031 20 10 CGCDRO Cc1nc(CC[NH2+][C@@H](C)c2ccc(C)cc2O)cs1 ZINC000230658483 333319919 /nfs/dbraw/zinc/31/99/19/333319919.db2.gz WTWUDNLFYVMWCZ-NSHDSACASA-N 1 0 276.405 3.359 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]CCCc1nccs1)CC2 ZINC000296949861 334913799 /nfs/dbraw/zinc/91/37/99/334913799.db2.gz QRQYYRGAYIRQTF-GFCCVEGCSA-N 1 0 274.389 3.058 20 10 CGCDRO CCN(CC)[C@H](C)C[NH2+][C@H](C)c1cc(C)ccc1O ZINC000280168848 520858687 /nfs/dbraw/zinc/85/86/87/520858687.db2.gz RBWPDVOFZOVDER-ZIAGYGMSSA-N 1 0 264.413 3.082 20 10 CGCDRO CC(C)CCOCC[NH2+][C@@H](C)c1ccccc1O ZINC000045093937 519668936 /nfs/dbraw/zinc/66/89/36/519668936.db2.gz PGUWTFBISSZYRY-ZDUSSCGKSA-N 1 0 251.370 3.106 20 10 CGCDRO CC(C)[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)C(C)(C)O ZINC000276745438 519821440 /nfs/dbraw/zinc/82/14/40/519821440.db2.gz HALBCXPBCOEQPS-HZMBPMFUSA-N 1 0 285.815 3.492 20 10 CGCDRO CC[C@H](C)[C@H](O)C[NH2+][C@@H](CC)c1ccc(C)cc1O ZINC000280101655 521997489 /nfs/dbraw/zinc/99/74/89/521997489.db2.gz NETAJAUPFJMQQJ-DUVNUKRYSA-N 1 0 265.397 3.148 20 10 CGCDRO CC[C@H](C)c1nnc([C@@H](C)[NH2+]Cc2cccc(C)c2O)[nH]1 ZINC000277110092 522050789 /nfs/dbraw/zinc/05/07/89/522050789.db2.gz HWASDFZILDKPEZ-CMPLNLGQSA-N 1 0 288.395 3.183 20 10 CGCDRO CC[C@@H](C)c1nnc([C@H](C)[NH2+]Cc2cc(C)ccc2O)[nH]1 ZINC000277403028 522437956 /nfs/dbraw/zinc/43/79/56/522437956.db2.gz KUKDQMOTVDFSEW-NEPJUHHUSA-N 1 0 288.395 3.183 20 10 CGCDRO COc1cc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)ccn1 ZINC000062058053 522484467 /nfs/dbraw/zinc/48/44/67/522484467.db2.gz HMRNKCWSPLABJI-CYBMUJFWSA-N 1 0 285.391 3.007 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](OC)C1CC1)c1ccc(N(C)C)cc1 ZINC000293876272 522614812 /nfs/dbraw/zinc/61/48/12/522614812.db2.gz ZZGNOMLFVPJWDF-DLBZAZTESA-N 1 0 276.424 3.218 20 10 CGCDRO CC[C@@H]([NH2+]CC(C)(C)C[C@H](C)O)c1ccccc1O ZINC000156658835 522817498 /nfs/dbraw/zinc/81/74/98/522817498.db2.gz IJRZVTCZDKASHF-GXTWGEPZSA-N 1 0 265.397 3.230 20 10 CGCDRO CC[C@@H]([NH2+]CC[C@@H](C)OC)c1ccc(C)cc1O ZINC000280214668 522838588 /nfs/dbraw/zinc/83/85/88/522838588.db2.gz UJPOZYBFIXFFBT-TZMCWYRMSA-N 1 0 251.370 3.166 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H](C)SC)c1ccc(C)cc1O ZINC000280214609 522847895 /nfs/dbraw/zinc/84/78/95/522847895.db2.gz UJCRYHZBNIHACT-DGCLKSJQSA-N 1 0 253.411 3.493 20 10 CGCDRO COCC1(CC[NH2+]Cc2c(O)cccc2Cl)CCC1 ZINC000293018991 522861045 /nfs/dbraw/zinc/86/10/45/522861045.db2.gz QOCARCDLBUEOQI-UHFFFAOYSA-N 1 0 283.799 3.342 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H]1CCSC1)c1ccc(C)cc1O ZINC000280007148 522866232 /nfs/dbraw/zinc/86/62/32/522866232.db2.gz GJMMXEWWUXGKHG-TZMCWYRMSA-N 1 0 265.422 3.494 20 10 CGCDRO CO[C@@H](C)[C@@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000290297236 523431775 /nfs/dbraw/zinc/43/17/75/523431775.db2.gz YKNQRFZRIZNLFQ-UTLUCORTSA-N 1 0 257.761 3.120 20 10 CGCDRO COc1ccc(CC[NH2+]Cc2cc(C)ccc2O)cc1 ZINC000071403840 523974849 /nfs/dbraw/zinc/97/48/49/523974849.db2.gz JHPSVHQWZDYBAQ-UHFFFAOYSA-N 1 0 271.360 3.042 20 10 CGCDRO C[C@H](CCc1ccc(O)cc1)[NH2+]Cc1ccccc1O ZINC000037140207 524235679 /nfs/dbraw/zinc/23/56/79/524235679.db2.gz MXCCBLQSVZYQFE-CYBMUJFWSA-N 1 0 271.360 3.209 20 10 CGCDRO Cc1cccc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1O ZINC000290947596 524387085 /nfs/dbraw/zinc/38/70/85/524387085.db2.gz QJAOXEGVLKMTRQ-RDJZCZTQSA-N 1 0 287.403 3.234 20 10 CGCDRO C[C@@H](CCO)C[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000097435904 524508784 /nfs/dbraw/zinc/50/87/84/524508784.db2.gz JYGOSWYTKZQXJX-STQMWFEESA-N 1 0 273.376 3.215 20 10 CGCDRO C[C@@H](C[NH2+]Cc1cc2c(cc1O)OCO2)c1ccccc1 ZINC000042879485 524740725 /nfs/dbraw/zinc/74/07/25/524740725.db2.gz WKRNQOAWAJEUMS-LBPRGKRZSA-N 1 0 285.343 3.014 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC2(O)CCCCCC2)c1 ZINC000087088989 524760946 /nfs/dbraw/zinc/76/09/46/524760946.db2.gz NIHVJAOMSBAVJD-CYBMUJFWSA-N 1 0 293.407 3.137 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H](C)c2cccc(O)c2)c1 ZINC000071407936 525355557 /nfs/dbraw/zinc/35/55/57/525355557.db2.gz CTDQBORCEYNWBN-GFCCVEGCSA-N 1 0 257.333 3.257 20 10 CGCDRO C[C@H]([NH2+]C[C@@]1(CO)C[C@@H]1c1ccccc1)c1ccccc1O ZINC000289580532 525402873 /nfs/dbraw/zinc/40/28/73/525402873.db2.gz BLBOQYNWLLIGHM-POZUXBRTSA-N 1 0 297.398 3.209 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1CCOC1)c1ccc2ccccc2c1O ZINC000037738171 525418557 /nfs/dbraw/zinc/41/85/57/525418557.db2.gz LJTPRGCWLISMEW-QWHCGFSZSA-N 1 0 271.360 3.233 20 10 CGCDRO C[C@@H]([NH2+]C[C@H](c1ccco1)N(C)C)c1cc(F)ccc1O ZINC000094616822 525497932 /nfs/dbraw/zinc/49/79/32/525497932.db2.gz AYBXUSHARSSMLZ-BXUZGUMPSA-N 1 0 292.354 3.078 20 10 CGCDRO C[C@H]([NH2+][C@@H](C)[C@H](O)c1ccccc1)c1cc(F)ccc1O ZINC000290406355 525526992 /nfs/dbraw/zinc/52/69/92/525526992.db2.gz TYMWOEJCJNAPKH-PRXAMGSTSA-N 1 0 289.350 3.304 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C(C)C)C(C)(C)O)c(O)c1C ZINC000276612607 525933050 /nfs/dbraw/zinc/93/30/50/525933050.db2.gz CLQDYCZFLFBRMV-BBRMVZONSA-N 1 0 279.424 3.455 20 10 CGCDRO Oc1cc2c(cc1C[NH2+]C[C@@H]1CCCC(F)(F)C1)OCO2 ZINC000282133108 526335928 /nfs/dbraw/zinc/33/59/28/526335928.db2.gz VRJBLCUSFHHYMU-SNVBAGLBSA-N 1 0 299.317 3.036 20 10 CGCDRO CCOCc1cc(C[NH2+]CCOC(C)(C)C)ccc1OC ZINC000747853115 572951619 /nfs/dbraw/zinc/95/16/19/572951619.db2.gz ZGOPZZANUQDXHH-UHFFFAOYSA-N 1 0 295.423 3.136 20 10 CGCDRO COc1ccc(C[NH2+]Cc2ccc([C@H]3C[C@H]3C)o2)c(O)c1 ZINC000725846401 572439212 /nfs/dbraw/zinc/43/92/12/572439212.db2.gz DCYBHOQWVLHFTQ-ABAIWWIYSA-N 1 0 287.359 3.407 20 10 CGCDRO c1ccc2c(c1)CC[C@H]2C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000732229953 572454235 /nfs/dbraw/zinc/45/42/35/572454235.db2.gz QVBIOAQEGNEHGZ-KRWDZBQOSA-N 1 0 279.383 3.441 20 10 CGCDRO COc1cccc(C[NH2+]C/C=C\c2ccccc2)c1O ZINC000732986745 572497585 /nfs/dbraw/zinc/49/75/85/572497585.db2.gz JEBCFUIPAXUUJU-TWGQIWQCSA-N 1 0 269.344 3.204 20 10 CGCDRO Oc1cc2c(cc1C[NH2+][C@@H]1CC[C@@H]3CCC[C@H]3C1)OCO2 ZINC000742379637 572571521 /nfs/dbraw/zinc/57/15/21/572571521.db2.gz YZGOILVDGHHWER-SGMGOOAPSA-N 1 0 289.375 3.179 20 10 CGCDRO COc1cccc(C[NH2+]Cc2ccc(Cl)c(F)c2)c1O ZINC000733900703 572611651 /nfs/dbraw/zinc/61/16/51/572611651.db2.gz BTEJQLIXXNKLAU-UHFFFAOYSA-N 1 0 295.741 3.483 20 10 CGCDRO Cc1cc(O)c(C[NH+]2C[C@@H](C)S[C@H](C)C2)cc1C ZINC000743377575 572655282 /nfs/dbraw/zinc/65/52/82/572655282.db2.gz PUHCWTLRISEABR-CHWSQXEVSA-N 1 0 265.422 3.335 20 10 CGCDRO CCOc1ccc(C[NH2+]C(C)(CC)CC)c(O)c1 ZINC000734845813 572687281 /nfs/dbraw/zinc/68/72/81/572687281.db2.gz HQLVWXILSZRFMX-UHFFFAOYSA-N 1 0 251.370 3.459 20 10 CGCDRO CCCCOCC[N@H+](CCC)Cc1ccccc1O ZINC000743870577 572694778 /nfs/dbraw/zinc/69/47/78/572694778.db2.gz YBRQJKPVEHULAV-UHFFFAOYSA-N 1 0 265.397 3.421 20 10 CGCDRO CO[C@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC000746754076 572895111 /nfs/dbraw/zinc/89/51/11/572895111.db2.gz JUYDGMNZZIEPAI-AEFFLSMTSA-N 1 0 288.435 3.334 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](C)Cc2ccncc2)cc1C ZINC000749293661 572991614 /nfs/dbraw/zinc/99/16/14/572991614.db2.gz CJYCBRSJWMSEKJ-AWEZNQCLSA-N 1 0 270.376 3.119 20 10 CGCDRO CC[C@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2O)CC1 ZINC000160272128 617806164 /nfs/dbraw/zinc/80/61/64/617806164.db2.gz USBGKAQJLVJDHR-ZDUSSCGKSA-N 1 0 293.407 3.422 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]CC2=CCCOC2)c2c1c(F)ccc2O ZINC000806177600 617818168 /nfs/dbraw/zinc/81/81/68/617818168.db2.gz DLYUUXOUULSYJC-ZWNOBZJWSA-N 1 0 277.339 3.016 20 10 CGCDRO CCC[C@H](C)[N@H+](C)Cc1ccc(OC)c(OC)c1O ZINC000891624483 618242640 /nfs/dbraw/zinc/24/26/40/618242640.db2.gz BNDIPEQLOIBAHZ-NSHDSACASA-N 1 0 267.369 3.030 20 10 CGCDRO COC1CCC(C[N@H+](C)Cc2ccccc2O)CC1 ZINC000891713726 618253017 /nfs/dbraw/zinc/25/30/17/618253017.db2.gz LVRVNHVKSDTCGS-UHFFFAOYSA-N 1 0 263.381 3.029 20 10 CGCDRO CCC[N@H+](Cc1c2c(nn1C)CCC2)Cc1ccccc1O ZINC000891853365 618341456 /nfs/dbraw/zinc/34/14/56/618341456.db2.gz KKQAPOKHQBVVJP-UHFFFAOYSA-N 1 0 299.418 3.027 20 10 CGCDRO COc1cccc(C[NH2+][C@]2(C)CCCC[C@@H]2C)c1O ZINC000308697120 618350069 /nfs/dbraw/zinc/35/00/69/618350069.db2.gz GBOWFMAEXFGHKA-BLLLJJGKSA-N 1 0 263.381 3.459 20 10 CGCDRO COc1ccc(C[N@@H+]2C[C@@H](C)CC[C@H]2C)c(O)c1OC ZINC000892066790 618515539 /nfs/dbraw/zinc/51/55/39/618515539.db2.gz HRDLBISOASKGJJ-NWDGAFQWSA-N 1 0 279.380 3.030 20 10 CGCDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1ccc(OC)c(OC)c1O ZINC000892068814 618517298 /nfs/dbraw/zinc/51/72/98/618517298.db2.gz UFPGCKWWPASBAK-DGCLKSJQSA-N 1 0 279.380 3.030 20 10 CGCDRO CC[C@H](C)[C@@H](O)C[NH2+][C@H](C)c1ccc(N(C)CC)cc1 ZINC000247920229 618688191 /nfs/dbraw/zinc/68/81/91/618688191.db2.gz BBIMMYBVABLHDX-VBQJREDUSA-N 1 0 278.440 3.200 20 10 CGCDRO C[C@@H]1SCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000309847252 618770833 /nfs/dbraw/zinc/77/08/33/618770833.db2.gz VBSIHJNXFOUNMB-KWQFWETISA-N 1 0 257.786 3.029 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C)c(O)c1OC ZINC000892447887 618788024 /nfs/dbraw/zinc/78/80/24/618788024.db2.gz XNRRCFGVZDLGIN-AAEUAGOBSA-N 1 0 279.380 3.078 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@]1(C)CCCO1)c1ccc(N(C)C)cc1 ZINC000167059530 618798484 /nfs/dbraw/zinc/79/84/84/618798484.db2.gz JHQYMKJILPFSNM-IAGOWNOFSA-N 1 0 276.424 3.362 20 10 CGCDRO CCC[C@H](CC)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000892941760 618958510 /nfs/dbraw/zinc/95/85/10/618958510.db2.gz INAVHKYGTSKGDU-LBPRGKRZSA-N 1 0 267.369 3.078 20 10 CGCDRO CCC(CC)(CC)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000892961233 618965028 /nfs/dbraw/zinc/96/50/28/618965028.db2.gz BPRFBSJZPZPIOS-UHFFFAOYSA-N 1 0 281.396 3.468 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCC[C@H](CO)C2)cc1 ZINC000840895700 618966948 /nfs/dbraw/zinc/96/69/48/618966948.db2.gz SIENMHBYSDXVIM-ZOBUZTSGSA-N 1 0 290.451 3.344 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCCN(c3ccccc3)CC2)c1O ZINC000179827997 619010254 /nfs/dbraw/zinc/01/02/54/619010254.db2.gz DMLIQJBNWUBFNU-UHFFFAOYSA-N 1 0 296.414 3.413 20 10 CGCDRO C[C@H](CN(C)Cc1ccccc1)[NH2+]Cc1ccccc1O ZINC000309933544 619061617 /nfs/dbraw/zinc/06/16/17/619061617.db2.gz ZYBXTRMWHIAOIV-OAHLLOKOSA-N 1 0 284.403 3.002 20 10 CGCDRO CC(C)N(C)C[C@@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000312467693 619078309 /nfs/dbraw/zinc/07/83/09/619078309.db2.gz WUQUPYLZUAFQQQ-CABCVRRESA-N 1 0 277.456 3.132 20 10 CGCDRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000185196940 625318960 /nfs/dbraw/zinc/31/89/60/625318960.db2.gz UYBOTPKEEVLJAG-WMZOPIPTSA-N 1 0 289.419 3.305 20 10 CGCDRO CC[C@@H](CSC)[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000193470511 619129130 /nfs/dbraw/zinc/12/91/30/619129130.db2.gz UZCPOBIPQBUPIV-AWEZNQCLSA-N 1 0 266.454 3.326 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]CCOCC1CCCC1 ZINC000313278340 619166110 /nfs/dbraw/zinc/16/61/10/619166110.db2.gz GHDAKJRHZIZGBB-UHFFFAOYSA-N 1 0 283.799 3.342 20 10 CGCDRO CCOC[C@H]1CCCC[N@@H+]1Cc1cc(C)ccc1O ZINC000313464352 619173785 /nfs/dbraw/zinc/17/37/85/619173785.db2.gz AHFFIAQTZLUDIJ-OAHLLOKOSA-N 1 0 263.381 3.092 20 10 CGCDRO CCOCC(C)(C)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000313575738 619177755 /nfs/dbraw/zinc/17/77/55/619177755.db2.gz WOTPASKPBJNZLI-AWEZNQCLSA-N 1 0 278.440 3.466 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CCS[C@H](C)[C@@H]2C)c1 ZINC000093501499 619202261 /nfs/dbraw/zinc/20/22/61/619202261.db2.gz CQQYPODWKRUDND-NWDGAFQWSA-N 1 0 281.421 3.117 20 10 CGCDRO Cc1cc(C[NH2+]Cc2c[nH]nc2C)c(C)n1-c1ccccc1 ZINC000314453578 619229658 /nfs/dbraw/zinc/22/96/58/619229658.db2.gz KKXNCVNODYPNIQ-UHFFFAOYSA-N 1 0 294.402 3.415 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000840942252 619237431 /nfs/dbraw/zinc/23/74/31/619237431.db2.gz WTZJJFBGNIDEBN-MRXNPFEDSA-N 1 0 296.414 3.024 20 10 CGCDRO CCn1cc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)c(C)n1 ZINC000893684025 619278627 /nfs/dbraw/zinc/27/86/27/619278627.db2.gz NPIYQGWUMFPXHP-CYBMUJFWSA-N 1 0 286.423 3.128 20 10 CGCDRO CC[C@@H](C)[C@@](C)(O)C[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC000236869873 619295431 /nfs/dbraw/zinc/29/54/31/619295431.db2.gz LIZQUQRAHOYZGC-QAPCUYQASA-N 1 0 292.467 3.420 20 10 CGCDRO CCC(CC)C[N@H+](CC)Cc1cc2c(cc1O)OCO2 ZINC000108105858 619298151 /nfs/dbraw/zinc/29/81/51/619298151.db2.gz NAYFZUNGUPPCIL-UHFFFAOYSA-N 1 0 279.380 3.379 20 10 CGCDRO C[C@H]([NH2+]C[C@H](O)C1CCCCC1)c1ccc(N(C)C)cc1 ZINC000163104278 619309792 /nfs/dbraw/zinc/30/97/92/619309792.db2.gz SRUHJXOOLBJRDJ-KSSFIOAISA-N 1 0 290.451 3.344 20 10 CGCDRO CC[N@H+](Cc1ccccn1)Cc1cc(F)cc(F)c1[O-] ZINC000894019683 619350818 /nfs/dbraw/zinc/35/08/18/619350818.db2.gz ATPZGPXIMNUJJO-UHFFFAOYSA-N 1 0 278.302 3.088 20 10 CGCDRO COc1cc(C)cc(C[N@H+](C(C)C)C2CCC2)c1O ZINC000894046961 619358786 /nfs/dbraw/zinc/35/87/86/619358786.db2.gz YNFQSWHQOQQVNP-UHFFFAOYSA-N 1 0 263.381 3.472 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@]2(C)CCCO2)cc1F ZINC000236921686 619372181 /nfs/dbraw/zinc/37/21/81/619372181.db2.gz PDTRIYAHCLRWPL-QGZVFWFLSA-N 1 0 294.414 3.331 20 10 CGCDRO CC[N@@H+](Cc1cc(C)cc(C)c1O)C[C@@H]1CCCO1 ZINC000164200449 619535843 /nfs/dbraw/zinc/53/58/43/619535843.db2.gz OLSCNDJJPATIHB-HNNXBMFYSA-N 1 0 263.381 3.010 20 10 CGCDRO Cc1ccc(CC[NH2+][C@@H](C)c2cc(F)ccc2O)cn1 ZINC000185422345 625357068 /nfs/dbraw/zinc/35/70/68/625357068.db2.gz QDKZSCZQNKBQRU-LBPRGKRZSA-N 1 0 274.339 3.128 20 10 CGCDRO CCC(CC)(C[NH2+]Cc1cc(C)cc(OC)c1O)OC ZINC000894851454 619652025 /nfs/dbraw/zinc/65/20/25/619652025.db2.gz LIGGPPCRWCNVFC-UHFFFAOYSA-N 1 0 281.396 3.004 20 10 CGCDRO Cc1noc(C)c1C[N@@H+](C)Cc1cc(C)c(C)cc1O ZINC000046478225 619734707 /nfs/dbraw/zinc/73/47/07/619734707.db2.gz BLRBNXIEIKRPEG-UHFFFAOYSA-N 1 0 274.364 3.246 20 10 CGCDRO CC[C@H](CCO)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000185527213 625370085 /nfs/dbraw/zinc/37/00/85/625370085.db2.gz GPMGDOPKLONGOJ-SWLSCSKDSA-N 1 0 277.408 3.083 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@H](C)c2ccns2)c1O ZINC000895412479 619823304 /nfs/dbraw/zinc/82/33/04/619823304.db2.gz XGDKXHVYUMSQNE-SNVBAGLBSA-N 1 0 278.377 3.017 20 10 CGCDRO CC(C)Cn1ccnc1C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000185546369 625374718 /nfs/dbraw/zinc/37/47/18/625374718.db2.gz ZNYOSBYFTMVFCN-LBPRGKRZSA-N 1 0 291.370 3.235 20 10 CGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@@H](CF)C2)cc1 ZINC000895568707 619854086 /nfs/dbraw/zinc/85/40/86/619854086.db2.gz PTEDRNHSIIEFPK-JZIMQPMSSA-N 1 0 262.372 3.057 20 10 CGCDRO Oc1ccccc1C[N@@H+]1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC000896230836 619971060 /nfs/dbraw/zinc/97/10/60/619971060.db2.gz LMIWGYNSQXEMQF-AEFFLSMTSA-N 1 0 265.356 3.166 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2C[C@H]3C[C@@]3(c3ccccc3)C2)c1 ZINC000896233796 619972514 /nfs/dbraw/zinc/97/25/14/619972514.db2.gz WYTYUFPKLOBNFI-APWZRJJASA-N 1 0 295.382 3.174 20 10 CGCDRO CO[C@]1(C)C[C@@H]([NH2+]Cc2cc(C)c(C)cc2O)C1(C)C ZINC000237268777 620046820 /nfs/dbraw/zinc/04/68/20/620046820.db2.gz GYPZWDZZVCYCSH-NVXWUHKLSA-N 1 0 277.408 3.302 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@@H]2C[C@H]2C(F)(F)F)c1O ZINC000896860494 620078130 /nfs/dbraw/zinc/07/81/30/620078130.db2.gz RAOPEKAGWMAUEH-NWDGAFQWSA-N 1 0 273.298 3.243 20 10 CGCDRO Cc1nc2c(cccc2CC[NH2+]Cc2cccc(C)c2O)o1 ZINC000896887990 620086859 /nfs/dbraw/zinc/08/68/59/620086859.db2.gz VEMDGROIDMCUCJ-UHFFFAOYSA-N 1 0 296.370 3.483 20 10 CGCDRO Cc1ccc(O)c(CN2CCn3nc(C(C)(C)C)cc3C2)c1 ZINC000896943592 620109714 /nfs/dbraw/zinc/10/97/14/620109714.db2.gz YIKCSQDWJPDBAK-UHFFFAOYSA-N 1 0 299.418 3.210 20 10 CGCDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCS[C@@H](C)C1 ZINC000896953054 620112832 /nfs/dbraw/zinc/11/28/32/620112832.db2.gz UIWWRYADGXUEFP-NWDGAFQWSA-N 1 0 251.395 3.074 20 10 CGCDRO Cc1cc(N(C)C)ccc1CNC(=[NH2+])Nc1ccccc1 ZINC000304201011 620197705 /nfs/dbraw/zinc/19/77/05/620197705.db2.gz AGYPVAGTKHKVEP-UHFFFAOYSA-N 1 0 282.391 3.197 20 10 CGCDRO Cc1cccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2O)c1 ZINC000109771051 620322071 /nfs/dbraw/zinc/32/20/71/620322071.db2.gz CAESZNSACQHAAF-CQSZACIVSA-N 1 0 298.386 3.160 20 10 CGCDRO COc1ccc(O)c(CNc2ccc([C@H](C)[NH3+])cc2)c1 ZINC000841029134 620407433 /nfs/dbraw/zinc/40/74/33/620407433.db2.gz TYNKDHZBYYZVRT-NSHDSACASA-N 1 0 272.348 3.033 20 10 CGCDRO C[C@@H]1CC2(CC([NH2+]Cc3ccc4c(c3)CCCO4)C2)CO1 ZINC000897774738 620427175 /nfs/dbraw/zinc/42/71/75/620427175.db2.gz UDYJRSUJTQOOLA-IMUUDWKMSA-N 1 0 287.403 3.059 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2cncs2)c1 ZINC000897930215 620450681 /nfs/dbraw/zinc/45/06/81/620450681.db2.gz KYAFVSQOZFAAQA-ZJUUUORDSA-N 1 0 278.377 3.269 20 10 CGCDRO [O-]c1c(Cl)cccc1C[NH2+][C@@H]1C[C@H]2CCC[C@H]21 ZINC000897954424 620455079 /nfs/dbraw/zinc/45/50/79/620455079.db2.gz DUEQGIWLDDXPRA-IRUJWGPZSA-N 1 0 251.757 3.324 20 10 CGCDRO Cc1ccc(C[NH2+]C[C@H]2CCCC(C)(C)O2)c(O)c1 ZINC000898047279 620464254 /nfs/dbraw/zinc/46/42/54/620464254.db2.gz VXRRVVCXDMHVCU-CQSZACIVSA-N 1 0 263.381 3.138 20 10 CGCDRO COc1cccc(C[NH2+]CC[C@@H]2CCC(F)(F)C2)c1O ZINC000898019482 620467556 /nfs/dbraw/zinc/46/75/56/620467556.db2.gz NJDJNZYWGXXECA-NSHDSACASA-N 1 0 285.334 3.316 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]C[C@]2(C)CCCCO2)c1O ZINC000927014920 620561556 /nfs/dbraw/zinc/56/15/56/620561556.db2.gz QNCSWQKTHGQUFT-WBMJQRKESA-N 1 0 279.380 3.011 20 10 CGCDRO CC(C)[C@H]([NH2+][C@H]1CCc2cccc(O)c21)c1cnn(C)c1 ZINC000927066746 620570110 /nfs/dbraw/zinc/57/01/10/620570110.db2.gz DEPOHTNZVFCREH-YOEHRIQHSA-N 1 0 285.391 3.100 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]Cc2cc(C3CC3)n(C)n2)c(O)c1C ZINC000927108042 620577559 /nfs/dbraw/zinc/57/75/59/620577559.db2.gz KBZVMPFWFJKXDO-ZDUSSCGKSA-N 1 0 299.418 3.471 20 10 CGCDRO CNc1ccc(C)cc1C[NH2+]Cc1cc(OC)ccc1O ZINC000902242736 621218246 /nfs/dbraw/zinc/21/82/46/621218246.db2.gz IMQVECIKTXHVGT-UHFFFAOYSA-N 1 0 286.375 3.041 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2Cc3ccccc3[C@H]2N)c(O)c1 ZINC000902430590 621315580 /nfs/dbraw/zinc/31/55/80/621315580.db2.gz CLMIBLGAMNRIDB-URKNILKWSA-N 1 0 296.414 3.284 20 10 CGCDRO Oc1ccccc1C[NH2+][C@@H]1CCC[C@H](C2CCOCC2)C1 ZINC000902787042 621445921 /nfs/dbraw/zinc/44/59/21/621445921.db2.gz VWBDCNYCOOBFPX-DOTOQJQBSA-N 1 0 289.419 3.467 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)c1ccc(Cl)cc1O ZINC000903259575 621646678 /nfs/dbraw/zinc/64/66/78/621646678.db2.gz HFGOPKJETVDZLM-PKPZWWHKSA-N 1 0 281.783 3.264 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)c1ccc(N(C)C)cc1 ZINC000903264097 621648564 /nfs/dbraw/zinc/64/85/64/621648564.db2.gz CTLCPTYOPKAJOI-KURKYZTESA-N 1 0 288.435 3.361 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C2CC3(C2)CO[C@H](C)C3)c1 ZINC000903283166 621650219 /nfs/dbraw/zinc/65/02/19/621650219.db2.gz PPZNQWQCQQSHNR-GXZXJKLZSA-N 1 0 275.392 3.309 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)c1O ZINC000903286649 621669912 /nfs/dbraw/zinc/66/99/12/621669912.db2.gz LWFLCHYZVWGOAV-FZOZBAORSA-N 1 0 293.794 3.180 20 10 CGCDRO C[C@H]([NH2+][C@H](CO)CCc1ccccc1)c1ccccc1O ZINC000903290160 621673929 /nfs/dbraw/zinc/67/39/29/621673929.db2.gz RVEOKTUGWWJHTB-HOCLYGCPSA-N 1 0 285.387 3.037 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CCC[C@@H]1O)c1ccc2ccccc2c1O ZINC000186067280 625511455 /nfs/dbraw/zinc/51/14/55/625511455.db2.gz GJPAROGJZLKJGQ-RLCCDNCMSA-N 1 0 271.360 3.109 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccc3nonc3c2)c1 ZINC000903326432 621700662 /nfs/dbraw/zinc/70/06/62/621700662.db2.gz PVYGPGCKQCAKJH-NSHDSACASA-N 1 0 283.331 3.088 20 10 CGCDRO C[C@H]([NH2+]CCCF)c1cc2c(cc1O)CCCC2 ZINC000186125726 625517925 /nfs/dbraw/zinc/51/79/25/625517925.db2.gz AGZPOPZDZALRGA-NSHDSACASA-N 1 0 251.345 3.281 20 10 CGCDRO Oc1ccccc1C[NH2+]Cc1cc(Cl)ccc1O ZINC000083461609 625522924 /nfs/dbraw/zinc/52/29/24/625522924.db2.gz YSTUSHOACUGUKQ-UHFFFAOYSA-N 1 0 263.724 3.041 20 10 CGCDRO CCO[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(C)c(C)c2O)C1 ZINC000840763993 625555498 /nfs/dbraw/zinc/55/54/98/625555498.db2.gz MYSYGDQUDMLIOW-MELADBBJSA-N 1 0 263.381 3.227 20 10 CGCDRO CC[C@H](C)[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000163615485 622684315 /nfs/dbraw/zinc/68/43/15/622684315.db2.gz ZOTUPMWJHZRWGP-ZDUSSCGKSA-N 1 0 264.438 3.128 20 10 CGCDRO CC[C@H]1C[N@H+](Cc2cc(C)cc(C)c2O)C[C@H](C)O1 ZINC000164318137 622828173 /nfs/dbraw/zinc/82/81/73/622828173.db2.gz UEINJLHJZPKGHU-ZFWWWQNUSA-N 1 0 263.381 3.008 20 10 CGCDRO CC[N@H+](C)Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000164371975 622830064 /nfs/dbraw/zinc/83/00/64/622830064.db2.gz UCOKKYYQQGXDCI-UHFFFAOYSA-N 1 0 251.370 3.150 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1CCCCS1)c1ccccc1O ZINC000157912833 622978813 /nfs/dbraw/zinc/97/88/13/622978813.db2.gz LCQSEHWJUDWFKQ-VXGBXAGGSA-N 1 0 251.395 3.329 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2C[C@H](C)C[C@H](C)[C@@H]2C)c1 ZINC000168243355 622996894 /nfs/dbraw/zinc/99/68/94/622996894.db2.gz TZLUVMYZLJLWSK-AGIUHOORSA-N 1 0 263.381 3.267 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+][C@@H](C)C2CCC2)c1O ZINC000169093010 623021990 /nfs/dbraw/zinc/02/19/90/623021990.db2.gz POGBASGNKXTBEA-VIFPVBQESA-N 1 0 269.772 3.332 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]CCOC2CCCC2)c1O ZINC000228672534 623069861 /nfs/dbraw/zinc/06/98/61/623069861.db2.gz YUVKTLLSJWKCJK-UHFFFAOYSA-N 1 0 299.798 3.103 20 10 CGCDRO CCC[N@H+](CCOCC(F)(F)F)Cc1ccccc1O ZINC000170779142 623098701 /nfs/dbraw/zinc/09/87/01/623098701.db2.gz FIGJXRKQSFQYAG-UHFFFAOYSA-N 1 0 291.313 3.183 20 10 CGCDRO COc1ccc(O)c(C[NH2+]Cc2ccc([C@@H]3C[C@H]3C)o2)c1 ZINC000172015642 623208325 /nfs/dbraw/zinc/20/83/25/623208325.db2.gz DLIUZFQMSDKVEX-IAQYHMDHSA-N 1 0 287.359 3.407 20 10 CGCDRO CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(F)cc2[O-])CC1 ZINC000062745316 623264951 /nfs/dbraw/zinc/26/49/51/623264951.db2.gz DDRUSNJITRGBLW-LBPRGKRZSA-N 1 0 280.387 3.056 20 10 CGCDRO CC[C@@H]1C[N@H+](Cc2cc3c(cc2O)CCC3)CCS1 ZINC000173508507 623329575 /nfs/dbraw/zinc/32/95/75/623329575.db2.gz ORENDPOANKDCDO-OAHLLOKOSA-N 1 0 277.433 3.208 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)c(Cl)c1 ZINC000827506872 623464630 /nfs/dbraw/zinc/46/46/30/623464630.db2.gz NBQONQCNNFPDDQ-GHMZBOCLSA-N 1 0 251.757 3.196 20 10 CGCDRO [NH3+]Cc1ccc2c(c1)CCCN2C[C@@H]1CCC(F)(F)C1 ZINC000312135697 623484389 /nfs/dbraw/zinc/48/43/89/623484389.db2.gz NSZHZLAKKQJBQT-CYBMUJFWSA-N 1 0 280.362 3.333 20 10 CGCDRO CCC[C@@H]1C[N@H+](Cc2cc(C)c(C)cc2O)CCO1 ZINC000152541506 623688364 /nfs/dbraw/zinc/68/83/64/623688364.db2.gz YNDMRSVXOWZHIU-OAHLLOKOSA-N 1 0 263.381 3.010 20 10 CGCDRO CC(C)[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)CS1 ZINC000754119488 623811313 /nfs/dbraw/zinc/81/13/13/623811313.db2.gz CMAACCRSFBYVBK-GDBMZVCRSA-N 1 0 277.433 3.241 20 10 CGCDRO COc1cccc(C[N@@H+]2CCC[C@H]2CC(C)C)c1O ZINC000153453637 623891868 /nfs/dbraw/zinc/89/18/68/623891868.db2.gz AXHAHRJTVDKFPL-AWEZNQCLSA-N 1 0 263.381 3.411 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@H](C3CCOCC3)C2)c1 ZINC000754799336 623955960 /nfs/dbraw/zinc/95/59/60/623955960.db2.gz UDFFJHJCBIXCCV-INIZCTEOSA-N 1 0 289.419 3.258 20 10 CGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(C)nc1 ZINC000153689262 624022360 /nfs/dbraw/zinc/02/23/60/624022360.db2.gz MONODQIJCVDRKN-UHFFFAOYSA-N 1 0 283.419 3.478 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CC2(Cl)Cl)cc1 ZINC000920956556 624556981 /nfs/dbraw/zinc/55/69/81/624556981.db2.gz MSQHLAAPZBBMEK-NSHDSACASA-N 1 0 273.207 3.036 20 10 CGCDRO CC(C)C[N@H+](Cc1ccc(N2CCOCC2)cc1)C(C)C ZINC000179702981 624678098 /nfs/dbraw/zinc/67/80/98/624678098.db2.gz KFBXYHWAOHTOJY-UHFFFAOYSA-N 1 0 290.451 3.390 20 10 CGCDRO COc1ccc2c(c1)C[N@@H+](Cc1cccc(C)c1O)CC2 ZINC000179861403 624693605 /nfs/dbraw/zinc/69/36/05/624693605.db2.gz DVDAOLWYTUSCTE-UHFFFAOYSA-N 1 0 283.371 3.268 20 10 CGCDRO Cc1n[nH]cc1[C@H](C)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000180101339 624714854 /nfs/dbraw/zinc/71/48/54/624714854.db2.gz HMOBQRVYRUTPDB-ZDUSSCGKSA-N 1 0 284.407 3.169 20 10 CGCDRO CSCC[C@H](C)[N@H+](C)Cc1cc(F)ccc1O ZINC000180179869 624723872 /nfs/dbraw/zinc/72/38/72/624723872.db2.gz FTNYNLJYBIVORU-JTQLQIEISA-N 1 0 257.374 3.105 20 10 CGCDRO CC[C@H]([NH2+]CC1(OC)CCC1)c1ccc(N(C)C)cc1 ZINC000180194210 624726225 /nfs/dbraw/zinc/72/62/25/624726225.db2.gz ZKHVXPRFBYNNAD-INIZCTEOSA-N 1 0 276.424 3.362 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCS[C@@H](C(C)C)C2)c1O ZINC000180668860 624766614 /nfs/dbraw/zinc/76/66/14/624766614.db2.gz OMAFBKRKPCRJEK-CQSZACIVSA-N 1 0 265.422 3.274 20 10 CGCDRO Cc1csc([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2)n1 ZINC000069168496 624802034 /nfs/dbraw/zinc/80/20/34/624802034.db2.gz CQBCUCYCLVEJIS-LBPRGKRZSA-N 1 0 275.421 3.368 20 10 CGCDRO CC(=O)c1cc(F)cc(C[NH+](C(C)C)C(C)C)c1[O-] ZINC000183035024 625044178 /nfs/dbraw/zinc/04/41/78/625044178.db2.gz YXRMNGLDUJIFIT-UHFFFAOYSA-N 1 0 267.344 3.353 20 10 CGCDRO Cc1cccc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)c1O ZINC000183376096 625067970 /nfs/dbraw/zinc/06/79/70/625067970.db2.gz MPEDFOJLLKKLRR-UHFFFAOYSA-N 1 0 284.403 3.399 20 10 CGCDRO CC(C)CC[C@](C)(O)C[NH2+][C@@H](C)c1ccccc1O ZINC000183526428 625089464 /nfs/dbraw/zinc/08/94/64/625089464.db2.gz PLUIMHPVWNZIHJ-BBRMVZONSA-N 1 0 265.397 3.230 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CC[C@@H](C)[C@@H](C)C2)c1 ZINC000085039042 625792473 /nfs/dbraw/zinc/79/24/73/625792473.db2.gz XXSHANNKQZOQPT-MBNYWOFBSA-N 1 0 263.381 3.315 20 10 CGCDRO c1cc(C[NH2+]Cc2ccc3c(c2)CCCO3)cc2c1OCC2 ZINC000921650487 625807269 /nfs/dbraw/zinc/80/72/69/625807269.db2.gz OBMUKNPFNMLITI-UHFFFAOYSA-N 1 0 295.382 3.236 20 10 CGCDRO Cc1ccccc1[C@H](O)C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921731479 625856352 /nfs/dbraw/zinc/85/63/52/625856352.db2.gz HQXHBNCSEABJIF-GOSISDBHSA-N 1 0 297.398 3.143 20 10 CGCDRO COc1ccc(O)c(C[NH2+]Cc2cc(C)cnc2Cl)c1 ZINC000921740440 625858303 /nfs/dbraw/zinc/85/83/03/625858303.db2.gz KXVYEYLLWCIKAA-UHFFFAOYSA-N 1 0 292.766 3.047 20 10 CGCDRO Cc1cccc(C[NH2+][C@H](C)[C@@H](c2ccccc2)N(C)C)c1O ZINC000186457547 625860488 /nfs/dbraw/zinc/86/04/88/625860488.db2.gz HGWLKUGALTVJGP-QAPCUYQASA-N 1 0 298.430 3.482 20 10 CGCDRO c1ccc2c(c1)OC[C@H]2C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922134999 625971764 /nfs/dbraw/zinc/97/17/64/625971764.db2.gz TZXLUGZOMATESX-MRXNPFEDSA-N 1 0 295.382 3.277 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H](c2ncccn2)C2CC2)cc1C ZINC000922578607 626014701 /nfs/dbraw/zinc/01/47/01/626014701.db2.gz BQTFBQFOCRLGAZ-MRXNPFEDSA-N 1 0 283.375 3.040 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCCc3cccnc32)c1 ZINC000922884140 626063357 /nfs/dbraw/zinc/06/33/57/626063357.db2.gz XAYKPXVCFPHUMQ-MRXNPFEDSA-N 1 0 298.386 3.353 20 10 CGCDRO CC[C@@H]1C[N@H+](Cc2cc(C(C)C)c(C)cc2O)CCO1 ZINC000074068104 626086715 /nfs/dbraw/zinc/08/67/15/626086715.db2.gz YIFSOWGROWQVDV-OAHLLOKOSA-N 1 0 277.408 3.435 20 10 CGCDRO C[C@@H]([NH2+]C[C@]1(C)CCOC1)c1cc(Cl)ccc1O ZINC000756572822 626096730 /nfs/dbraw/zinc/09/67/30/626096730.db2.gz ILINRZLXZQJWKG-YGRLFVJLSA-N 1 0 269.772 3.123 20 10 CGCDRO C[C@@]1([NH2+]Cc2ccc3c(c2)CCO3)CCOc2ccccc21 ZINC000923024870 626121049 /nfs/dbraw/zinc/12/10/49/626121049.db2.gz IPUALDAYWQCZLB-LJQANCHMSA-N 1 0 295.382 3.409 20 10 CGCDRO Cc1ncc(C[NH2+][C@H](C)c2cc(Cl)ccc2O)o1 ZINC000840794339 626245258 /nfs/dbraw/zinc/24/52/58/626245258.db2.gz HRSFKKNDKOXKAH-MRVPVSSYSA-N 1 0 266.728 3.193 20 10 CGCDRO COc1ccc(O)c(C[NH+]2CC(Cc3ccccc3)C2)c1 ZINC000839127910 626321327 /nfs/dbraw/zinc/32/13/27/626321327.db2.gz JPQIHOISRCESMD-UHFFFAOYSA-N 1 0 283.371 3.075 20 10 CGCDRO CCOC1C[NH+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000839133318 626321973 /nfs/dbraw/zinc/32/19/73/626321973.db2.gz ZFJGTRVPWBAPLS-UHFFFAOYSA-N 1 0 283.371 3.280 20 10 CGCDRO CCN(CC)c1ccc(C[NH+]2CC3(C2)CCCOC3)cc1 ZINC000839139119 626322332 /nfs/dbraw/zinc/32/23/32/626322332.db2.gz TZUJLNHJXRJDTR-UHFFFAOYSA-N 1 0 288.435 3.145 20 10 CGCDRO Cc1cccc(C[NH+]2CC(CC(F)(F)F)C2)c1O ZINC000839138067 626322384 /nfs/dbraw/zinc/32/23/84/626322384.db2.gz LJVXAMMUFJLGIX-UHFFFAOYSA-N 1 0 259.271 3.085 20 10 CGCDRO COCCC1(C)C[NH+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000839142981 626323034 /nfs/dbraw/zinc/32/30/34/626323034.db2.gz MRMHNFNPOHMHGZ-AATRIKPKSA-N 1 0 288.435 3.124 20 10 CGCDRO COc1cc(C)cc(C[N@H+](CC2CC2)C(C)C)c1O ZINC000754726010 626584889 /nfs/dbraw/zinc/58/48/89/626584889.db2.gz KQIGEENPYGQQGF-UHFFFAOYSA-N 1 0 263.381 3.330 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCN2CCCCC2)c(O)c1C ZINC000756395601 626700805 /nfs/dbraw/zinc/70/08/05/626700805.db2.gz DJKFVJHQLFGFOW-HNNXBMFYSA-N 1 0 276.424 3.146 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)Cc2cnccn2)c(O)c1C ZINC000756492772 626709420 /nfs/dbraw/zinc/70/94/20/626709420.db2.gz AJVDPKFFWHJCOI-JSGCOSHPSA-N 1 0 285.391 3.081 20 10 CGCDRO CC(C)C[C@H](O)C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000756498727 626710161 /nfs/dbraw/zinc/71/01/61/626710161.db2.gz WWDJVQLRIXOVIX-BBRMVZONSA-N 1 0 291.435 3.329 20 10 CGCDRO CC[C@H](C)N(C)CC[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000756536651 626713425 /nfs/dbraw/zinc/71/34/25/626713425.db2.gz SFUNEGOAEQOKGC-ZFWWWQNUSA-N 1 0 278.440 3.390 20 10 CGCDRO C[C@H]1C[C@@H]([NH2+]CCOCC2CC2)c2c1c(F)ccc2O ZINC000756556937 626714628 /nfs/dbraw/zinc/71/46/28/626714628.db2.gz YHVCSDGWMCLSQK-GXFFZTMASA-N 1 0 279.355 3.096 20 10 CGCDRO CCC(CC)[C@H](O)C[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756569946 626716263 /nfs/dbraw/zinc/71/62/63/626716263.db2.gz SYBXASMYETXZBE-PSOPSSQASA-N 1 0 295.398 3.466 20 10 CGCDRO CC[C@H](C)[C@](C)(O)C[NH2+][C@H](C)c1ccc(C)cc1O ZINC000756577968 626717369 /nfs/dbraw/zinc/71/73/69/626717369.db2.gz UCSHFPUYVCYWTM-WOSRLPQWSA-N 1 0 265.397 3.148 20 10 CGCDRO CCC[C@H](CCO)C[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756619967 626721493 /nfs/dbraw/zinc/72/14/93/626721493.db2.gz ZHYVDRMZKMZVSG-SCRDCRAPSA-N 1 0 295.398 3.468 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCCC(=O)OC(C)(C)C)c(O)c1 ZINC000756630453 626721748 /nfs/dbraw/zinc/72/17/48/626721748.db2.gz WCMRLTYPZXXTMO-CYBMUJFWSA-N 1 0 293.407 3.473 20 10 CGCDRO C[C@H]([NH2+]CCN1CC[C@@H](C)C1)c1cc(Cl)ccc1O ZINC000756628371 626721905 /nfs/dbraw/zinc/72/19/05/626721905.db2.gz LUQZOAVVWDNJAF-NEPJUHHUSA-N 1 0 282.815 3.038 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)Cc2ccncc2)c(O)c1 ZINC000756636955 626722416 /nfs/dbraw/zinc/72/24/16/626722416.db2.gz YCVPVIGXZVQHTB-UONOGXRCSA-N 1 0 270.376 3.377 20 10 CGCDRO CCC1(O)CCC([NH2+][C@H](C)c2cc(OC)ccc2O)CC1 ZINC000756677593 626726266 /nfs/dbraw/zinc/72/62/66/626726266.db2.gz RGCABCNLSPXQDK-SFYCDEOASA-N 1 0 293.407 3.135 20 10 CGCDRO C[C@@H]([NH2+][C@H](CCO)C1CC1)c1cc2c(cc1O)CCCC2 ZINC000756741235 626729096 /nfs/dbraw/zinc/72/90/96/626729096.db2.gz WIEAAOUZAYVDNN-SJKOYZFVSA-N 1 0 289.419 3.083 20 10 CGCDRO C[C@@H]([NH2+][C@@H](CO)CC(F)(F)F)c1cc(Cl)ccc1O ZINC000756775367 626731049 /nfs/dbraw/zinc/73/10/49/626731049.db2.gz HDUYVLURPCDCME-VXNVDRBHSA-N 1 0 297.704 3.010 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2[C@@H](C)[C@H](OC)C2(C)C)c1 ZINC000756789651 626732588 /nfs/dbraw/zinc/73/25/88/626732588.db2.gz HXPIENNIWSLLQY-CJTUPEFNSA-N 1 0 293.407 3.111 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]CCOC(C)(C)C)c2c1c(F)ccc2O ZINC000756817733 626734876 /nfs/dbraw/zinc/73/48/76/626734876.db2.gz NIIOHEKZUIFMCM-ZYHUDNBSSA-N 1 0 281.371 3.484 20 10 CGCDRO CCC[C@@]1([NH2+]Cc2cc(Cl)cc(C)c2O)CCOC1 ZINC000809702975 626811786 /nfs/dbraw/zinc/81/17/86/626811786.db2.gz BPPPODAHMRTRLQ-OAHLLOKOSA-N 1 0 283.799 3.403 20 10 CGCDRO Oc1ccccc1C[N@H+](CCN1CCCC1)C1CCCC1 ZINC000760840775 626995954 /nfs/dbraw/zinc/99/59/54/626995954.db2.gz OTRUHDMKXOSOBR-UHFFFAOYSA-N 1 0 288.435 3.233 20 10 CGCDRO COC[C@@H](CC(C)C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000765474742 627252238 /nfs/dbraw/zinc/25/22/38/627252238.db2.gz GEIKVHKZXZVSTI-CQSZACIVSA-N 1 0 282.403 3.042 20 10 CGCDRO COc1cccc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000765781213 627270212 /nfs/dbraw/zinc/27/02/12/627270212.db2.gz VPDXKOYDTIHKRX-ZDUSSCGKSA-N 1 0 285.391 3.007 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1CCN(C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000765779948 627270438 /nfs/dbraw/zinc/27/04/38/627270438.db2.gz CYEXIBNPEUJKTH-CRAIPNDOSA-N 1 0 287.451 3.030 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@]2(C)CCOC2)cc1 ZINC000765957821 627281316 /nfs/dbraw/zinc/28/13/16/627281316.db2.gz KBZAPPPJPJNTKK-WMLDXEAASA-N 1 0 276.424 3.220 20 10 CGCDRO CCCN(CCC)c1ccc(C[N@H+](CCO)C2CC2)cc1 ZINC000768330022 627473618 /nfs/dbraw/zinc/47/36/18/627473618.db2.gz MEXSNWMSUSRTLS-UHFFFAOYSA-N 1 0 290.451 3.270 20 10 CGCDRO COc1cc(C[N@H+](C)C2Cc3ccccc3C2)c(O)cc1C ZINC000768443214 627480355 /nfs/dbraw/zinc/48/03/55/627480355.db2.gz RLKIEGPYCZSXGZ-UHFFFAOYSA-N 1 0 297.398 3.308 20 10 CGCDRO Oc1ccc2c(c1)CN(Cc1c(O)cccc1Cl)CC2 ZINC000768869739 627504533 /nfs/dbraw/zinc/50/45/33/627504533.db2.gz XTVAGJMOWUDNTN-UHFFFAOYSA-N 1 0 289.762 3.310 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000769330937 627542470 /nfs/dbraw/zinc/54/24/70/627542470.db2.gz SCXMHNSAHQPLJH-CYBMUJFWSA-N 1 0 251.757 3.420 20 10 CGCDRO CCOc1ccc(C[N@H+](CC)Cc2ccccn2)c(O)c1 ZINC000769402584 627548930 /nfs/dbraw/zinc/54/89/30/627548930.db2.gz MMTJCBCZVXFVGC-UHFFFAOYSA-N 1 0 286.375 3.208 20 10 CGCDRO C[C@H]1C[C@H](C)[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000769470727 627557185 /nfs/dbraw/zinc/55/71/85/627557185.db2.gz OGOOKDCQRZUCNG-RYUDHWBXSA-N 1 0 250.361 3.122 20 10 CGCDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2c(O)cccc2OC)C1(C)C ZINC000769474123 627558127 /nfs/dbraw/zinc/55/81/27/627558127.db2.gz RTZIHBOSAKCTEC-JKSUJKDBSA-N 1 0 293.407 3.036 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000769509386 627561170 /nfs/dbraw/zinc/56/11/70/627561170.db2.gz XHDPSXMQJNXQSY-OAHLLOKOSA-N 1 0 287.334 3.487 20 10 CGCDRO CCSCC[C@H](C)[N@H+](C)Cc1c(O)cccc1OC ZINC000769547762 627564442 /nfs/dbraw/zinc/56/44/42/627564442.db2.gz DGADPRUFCGSKDU-LBPRGKRZSA-N 1 0 283.437 3.364 20 10 CGCDRO CO[C@]1(C)C[C@H]([N@H+](C)Cc2cc(C)ccc2O)C1(C)C ZINC000769549496 627564943 /nfs/dbraw/zinc/56/49/43/627564943.db2.gz SBCFEANIFRFHCB-DOTOQJQBSA-N 1 0 277.408 3.336 20 10 CGCDRO CCN(C)c1ccc(C[N@H+]2C[C@@H](C)S[C@@H](C)C2)cc1 ZINC000773756712 627911395 /nfs/dbraw/zinc/91/13/95/627911395.db2.gz YJCKPYYGJTXJMO-OKILXGFUSA-N 1 0 278.465 3.469 20 10 CGCDRO CCN(C)c1ccc(C[N@H+](C)CCc2ccncc2)cc1 ZINC000773818982 627916743 /nfs/dbraw/zinc/91/67/43/627916743.db2.gz NBBGWFDKZGAMPW-UHFFFAOYSA-N 1 0 283.419 3.212 20 10 CGCDRO C[C@@H]([NH2+]CCN1CCCC(C)(C)C1)c1cc(F)ccc1O ZINC000774486862 627997729 /nfs/dbraw/zinc/99/77/29/627997729.db2.gz IOCKTWDZEPUEPK-CYBMUJFWSA-N 1 0 294.414 3.304 20 10 CGCDRO C[C@H]([NH2+]Cc1nccn1CC(F)(F)F)c1ccccc1O ZINC000775130814 628066235 /nfs/dbraw/zinc/06/62/35/628066235.db2.gz PBDDRKRNTRMRGP-JTQLQIEISA-N 1 0 299.296 3.002 20 10 CGCDRO COc1ccccc1OCC[NH2+][C@H](C)c1ccccc1O ZINC000775135121 628067320 /nfs/dbraw/zinc/06/73/20/628067320.db2.gz FEENZUHSUKFSPC-CYBMUJFWSA-N 1 0 287.359 3.130 20 10 CGCDRO COc1ccc(O)c(C[N@H+](C)Cc2cc(C)ccc2F)c1 ZINC000775168120 628068622 /nfs/dbraw/zinc/06/86/22/628068622.db2.gz LVACSLSMXMGZMI-UHFFFAOYSA-N 1 0 289.350 3.480 20 10 CGCDRO CCC[C@@]1(COC)CCC[N@@H+]1Cc1cc(F)ccc1O ZINC000775206174 628072588 /nfs/dbraw/zinc/07/25/88/628072588.db2.gz VVYRNODGOWRTNB-INIZCTEOSA-N 1 0 281.371 3.312 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H](O)c1ccco1)c1cc(Cl)ccc1O ZINC000775487722 628099606 /nfs/dbraw/zinc/09/96/06/628099606.db2.gz NXYWTQDVMPNUHZ-OCCSQVGLSA-N 1 0 295.766 3.413 20 10 CGCDRO CC[C@H]([NH2+]C[C@@](C)(O)CC)c1cc(Cl)ccc1O ZINC000775502846 628101844 /nfs/dbraw/zinc/10/18/44/628101844.db2.gz WLBYEGKZGLIZMR-JSGCOSHPSA-N 1 0 271.788 3.247 20 10 CGCDRO Cc1cccc(CN2CC[NH+](C3CCCCC3)CC2)c1O ZINC000775649042 628119010 /nfs/dbraw/zinc/11/90/10/628119010.db2.gz ZMSLLAOXKRUVLA-UHFFFAOYSA-N 1 0 288.435 3.151 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H]2c2ccccn2)c1 ZINC000775651314 628120539 /nfs/dbraw/zinc/12/05/39/628120539.db2.gz MKPUDNQETRORIZ-MRXNPFEDSA-N 1 0 284.359 3.133 20 10 CGCDRO CC[C@H](CO)[NH2+][C@H](CC)c1ccc(C(F)(F)F)cc1O ZINC000810208528 628161096 /nfs/dbraw/zinc/16/10/96/628161096.db2.gz WJGWJLRDQFEYAT-ZYHUDNBSSA-N 1 0 291.313 3.223 20 10 CGCDRO COc1ccc(O)c(C[NH2+]Cc2ccc(C)cc2OC)c1 ZINC000776251292 628184613 /nfs/dbraw/zinc/18/46/13/628184613.db2.gz UZOYIKBYKUHDFW-UHFFFAOYSA-N 1 0 287.359 3.008 20 10 CGCDRO Cc1cccc(C[NH2+]CCCCC(=O)OC(C)(C)C)c1O ZINC000776257596 628186443 /nfs/dbraw/zinc/18/64/43/628186443.db2.gz YXUFRBDECRFNDX-UHFFFAOYSA-N 1 0 293.407 3.302 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H]2C2CCOCC2)cc1C ZINC000776768150 628231022 /nfs/dbraw/zinc/23/10/22/628231022.db2.gz CSCRVZAAECNXHX-KRWDZBQOSA-N 1 0 289.419 3.400 20 10 CGCDRO C[N@H+](Cc1ccc(CF)cc1)Cc1ccccc1O ZINC000777613211 628288540 /nfs/dbraw/zinc/28/85/40/628288540.db2.gz KFBLTOFSZCZTMS-UHFFFAOYSA-N 1 0 259.324 3.494 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@H+]2CC[C@H](C)[C@@H](F)C2)c1 ZINC000777969485 628316932 /nfs/dbraw/zinc/31/69/32/628316932.db2.gz SUPPSCFTFTWVSR-FZMZJTMJSA-N 1 0 251.345 3.189 20 10 CGCDRO CC1(C)[C@H](O)C[C@@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000778193110 628333150 /nfs/dbraw/zinc/33/31/50/628333150.db2.gz PWOJWWDOWMZSSE-ZWKOTPCHSA-N 1 0 297.398 3.308 20 10 CGCDRO C[N@H+](CCc1ccccc1F)Cc1cc(F)ccc1O ZINC000778999993 628382471 /nfs/dbraw/zinc/38/24/71/628382471.db2.gz RCFADPZENCHMQO-UHFFFAOYSA-N 1 0 277.314 3.345 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2cc(F)ccc2O)cc1F ZINC000779052038 628385442 /nfs/dbraw/zinc/38/54/42/628385442.db2.gz KWYHNIVNRYWVIV-UHFFFAOYSA-N 1 0 263.287 3.269 20 10 CGCDRO CCOC[C@H](C)[NH2+][C@@H](C)c1ccc(N(C)CC)cc1 ZINC000779075212 628387276 /nfs/dbraw/zinc/38/72/76/628387276.db2.gz WYIDZCDLVMRULN-KBPBESRZSA-N 1 0 264.413 3.218 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000779102717 628388602 /nfs/dbraw/zinc/38/86/02/628388602.db2.gz AQDJRKMWACBWGN-XBFCOCLRSA-N 1 0 299.436 3.001 20 10 CGCDRO CC[C@@H]1C[C@H](C[N@H+](C)Cc2ccc(N(C)C)cc2)CCO1 ZINC000780755463 628514584 /nfs/dbraw/zinc/51/45/84/628514584.db2.gz VJNIEXAUAFHHHX-SJLPKXTDSA-N 1 0 290.451 3.390 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H]([C@@H](C)O)C2)cc1 ZINC000780892974 628522523 /nfs/dbraw/zinc/52/25/23/628522523.db2.gz SKETXDZULFNSIS-NVXWUHKLSA-N 1 0 290.451 3.126 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1COc2ccccc2C1)c1ccccc1O ZINC000783505448 628718666 /nfs/dbraw/zinc/71/86/66/628718666.db2.gz WXRPUBHZOWOHHC-KBPBESRZSA-N 1 0 283.371 3.294 20 10 CGCDRO CN(C)c1ccc(C[N@H+](CC[C@H]2CCOC2)C2CC2)cc1 ZINC000783527086 628722135 /nfs/dbraw/zinc/72/21/35/628722135.db2.gz LDOFRCOJWXICPI-INIZCTEOSA-N 1 0 288.435 3.144 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CCC=CO2)c1O ZINC000783706751 628741947 /nfs/dbraw/zinc/74/19/47/628741947.db2.gz YOWLQRVOJUIAGF-ZDUSSCGKSA-N 1 0 267.756 3.136 20 10 CGCDRO CO[C@H]1C[N@H+](Cc2cc3c(cc2O)CCCC3)CC[C@H]1C ZINC000783969068 628760826 /nfs/dbraw/zinc/76/08/26/628760826.db2.gz RVHUGVLIFCMBBJ-ACJLOTCBSA-N 1 0 289.419 3.128 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]C[C@H]2CCCCS2)c1 ZINC000784615188 628825067 /nfs/dbraw/zinc/82/50/67/628825067.db2.gz DYHFJYNKRNHJFA-CQSZACIVSA-N 1 0 281.421 3.166 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]CCc2ccc(F)c(F)c2F)c1 ZINC000784629642 628826190 /nfs/dbraw/zinc/82/61/90/628826190.db2.gz MTJGQGBRGPMBEL-UHFFFAOYSA-N 1 0 295.304 3.450 20 10 CGCDRO OCC1(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)CCC1 ZINC000784675140 628828960 /nfs/dbraw/zinc/82/89/60/628828960.db2.gz PEXSDWADPCNYBQ-UHFFFAOYSA-N 1 0 297.398 3.311 20 10 CGCDRO CC1(C[NH2+]Cc2ccc(N3CCSCC3)cc2)CC1 ZINC000785425038 628861107 /nfs/dbraw/zinc/86/11/07/628861107.db2.gz CKGMIEZENXPPCM-UHFFFAOYSA-N 1 0 276.449 3.130 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccc(O)cc2)cc1 ZINC000785969902 628904923 /nfs/dbraw/zinc/90/49/23/628904923.db2.gz CXDIJWBGWNRNBC-UHFFFAOYSA-N 1 0 270.376 3.090 20 10 CGCDRO C[C@@H]([NH2+]C1CC(C)(C)C1)c1ccc(N2CCOCC2)cc1 ZINC000788578538 629065444 /nfs/dbraw/zinc/06/54/44/629065444.db2.gz BBSHQVJXOXCWCY-CQSZACIVSA-N 1 0 288.435 3.362 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]CC2(CO)CCCC2)c(O)c1 ZINC000788756663 629078715 /nfs/dbraw/zinc/07/87/15/629078715.db2.gz YFNINMUMJUWVEM-AWEZNQCLSA-N 1 0 277.408 3.212 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]CCOC(F)(F)F)c2c1c(F)ccc2O ZINC000788980860 629093257 /nfs/dbraw/zinc/09/32/57/629093257.db2.gz OJRBYBYDRDFHEN-VXNVDRBHSA-N 1 0 293.260 3.206 20 10 CGCDRO CCn1ccc(C[N@H+](C)Cc2cc(C)cc(C)c2O)c1 ZINC000790452104 629211679 /nfs/dbraw/zinc/21/16/79/629211679.db2.gz SPEABRCGVQHQFC-UHFFFAOYSA-N 1 0 272.392 3.462 20 10 CGCDRO COCC[N@H+](Cc1cc(OC)ccc1O)[C@@H]1CC[C@H](C)C1 ZINC000792192381 629346762 /nfs/dbraw/zinc/34/67/62/629346762.db2.gz JITBDRNZXVXHFD-DZGCQCFKSA-N 1 0 293.407 3.038 20 10 CGCDRO C[C@@H]1CCSCC[N@@H+]1Cc1c(O)cccc1Cl ZINC000792195087 629347952 /nfs/dbraw/zinc/34/79/52/629347952.db2.gz CHKNFJKHHMEPBY-SNVBAGLBSA-N 1 0 271.813 3.373 20 10 CGCDRO COCCC1CC[NH+](Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000862436244 629371505 /nfs/dbraw/zinc/37/15/05/629371505.db2.gz AZRYSEAQZGKCEN-UHFFFAOYSA-N 1 0 294.414 3.140 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@]23C[C@H]2COC3(C)C)cc1Cl ZINC000862468720 629383574 /nfs/dbraw/zinc/38/35/74/629383574.db2.gz MLUCKRAMYBUEBE-XHDPSFHLSA-N 1 0 281.783 3.011 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)Cc2ccn(C(C)C)n2)c1 ZINC000862476176 629383635 /nfs/dbraw/zinc/38/36/35/629383635.db2.gz LCQWMKNVPCXXRR-AWEZNQCLSA-N 1 0 287.407 3.199 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H](c3ccc(O)cc3)C2)c1 ZINC000862541662 629396902 /nfs/dbraw/zinc/39/69/02/629396902.db2.gz ZDWMRKCEUPBDNV-HNNXBMFYSA-N 1 0 283.371 3.396 20 10 CGCDRO COc1ccc(C[NH2+]C/C=C/c2ccc(F)cc2)c(O)c1 ZINC000793389142 629452776 /nfs/dbraw/zinc/45/27/76/629452776.db2.gz XEDCIMWYANMINH-NSCUHMNNSA-N 1 0 287.334 3.343 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCc2ccc3c[nH]nc3c2)c1 ZINC000793569970 629485946 /nfs/dbraw/zinc/48/59/46/629485946.db2.gz OJAGNMFYPRYGEZ-ZDUSSCGKSA-N 1 0 295.386 3.470 20 10 CGCDRO CC[C@H]([NH2+]CCN(C)C(C)C)c1ccc(C)cc1O ZINC000794803455 629579210 /nfs/dbraw/zinc/57/92/10/629579210.db2.gz JDNHSAFDGCCDLM-HNNXBMFYSA-N 1 0 264.413 3.082 20 10 CGCDRO CC[C@@H]([NH2+]CCN1CCC[C@@H]1C)c1ccc(C)cc1O ZINC000794804927 629579280 /nfs/dbraw/zinc/57/92/80/629579280.db2.gz WHLJLXVRBCUMGU-GOEBONIOSA-N 1 0 276.424 3.226 20 10 CGCDRO CC[C@H]([NH2+]C[C@]1(C)CCOC1)c1ccc(C)cc1O ZINC000794803621 629579314 /nfs/dbraw/zinc/57/93/14/629579314.db2.gz BPOIFHPVIKXUPO-HOCLYGCPSA-N 1 0 263.381 3.168 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](C)CN(CC)CC)c1ccc(C)cc1O ZINC000794806386 629580364 /nfs/dbraw/zinc/58/03/64/629580364.db2.gz IDHPYLDEYNLFCC-GOEBONIOSA-N 1 0 278.440 3.472 20 10 CGCDRO CCc1cc(C[NH2+][C@H](CC)c2ccc(C)cc2O)[nH]n1 ZINC000794806357 629580374 /nfs/dbraw/zinc/58/03/74/629580374.db2.gz HUVFWMGAESMEPF-OAHLLOKOSA-N 1 0 273.380 3.227 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cccc(N(C)C)n1)c1ccc(C)cc1O ZINC000794813892 629580881 /nfs/dbraw/zinc/58/08/81/629580881.db2.gz FWKJFXQUPAZKQH-MRXNPFEDSA-N 1 0 299.418 3.403 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cc(C)ncn1)c1ccc(C)cc1O ZINC000794813383 629581592 /nfs/dbraw/zinc/58/15/92/629581592.db2.gz CYHQWFJUZZVEOJ-OAHLLOKOSA-N 1 0 271.364 3.040 20 10 CGCDRO CC[C@H]([NH2+]Cc1nnc(C)s1)c1ccc(C)cc1O ZINC000794820042 629581881 /nfs/dbraw/zinc/58/18/81/629581881.db2.gz ZYMWAJARLFDOOL-LBPRGKRZSA-N 1 0 277.393 3.101 20 10 CGCDRO CC[C@@H]([NH2+]CC[C@@H]1CCOC1)c1ccc(C)cc1O ZINC000794819791 629582220 /nfs/dbraw/zinc/58/22/20/629582220.db2.gz YCRJHRQMGQBBDS-UKRRQHHQSA-N 1 0 263.381 3.168 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@H+]2CC=C(c3ccnn3C)CC2)c1 ZINC000795655887 629706440 /nfs/dbraw/zinc/70/64/40/629706440.db2.gz MALINECFCTYHCU-UHFFFAOYSA-N 1 0 297.402 3.032 20 10 CGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H](O)CCC(C)C ZINC000796444707 629782100 /nfs/dbraw/zinc/78/21/00/629782100.db2.gz HYKBBWXCDMNABJ-INIZCTEOSA-N 1 0 279.424 3.401 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2CCOC[C@H]2C)cc1 ZINC000796497243 629789921 /nfs/dbraw/zinc/78/99/21/629789921.db2.gz HJEOSTZXGPNUNA-NVXWUHKLSA-N 1 0 290.451 3.295 20 10 CGCDRO CC1=C[C@H](C)C[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000797416868 629944525 /nfs/dbraw/zinc/94/45/25/629944525.db2.gz LBPBAXKCEINHJZ-LBPRGKRZSA-N 1 0 268.360 3.338 20 10 CGCDRO Oc1ccc(Br)cc1C[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000797905014 629999961 /nfs/dbraw/zinc/99/99/61/629999961.db2.gz TYJUDJFOLVPEOK-OLZOCXBDSA-N 1 0 296.208 3.433 20 10 CGCDRO CN(C)c1cc(F)c(CNc2[nH+]ccn2C2CC2)cc1F ZINC000865293354 630055179 /nfs/dbraw/zinc/05/51/79/630055179.db2.gz HHWUTYVGYQGOTI-UHFFFAOYSA-N 1 0 292.333 3.174 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCc3ccccc3OC2)cc1C ZINC000800890127 630309439 /nfs/dbraw/zinc/30/94/39/630309439.db2.gz GFHYNMHQAZNLGH-KRWDZBQOSA-N 1 0 297.398 3.492 20 10 CGCDRO Cc1cc(C)cc([C@@H](O)C[NH2+]Cc2ccc(N(C)C)cc2)c1 ZINC000800897049 630309855 /nfs/dbraw/zinc/30/98/55/630309855.db2.gz CXAILQHMFFFKHE-IBGZPJMESA-N 1 0 298.430 3.193 20 10 CGCDRO c1cc(C[NH2+][C@@H](C2CCC2)[C@@H]2CCCO2)cc2c1OCC2 ZINC000865735368 630606679 /nfs/dbraw/zinc/60/66/79/630606679.db2.gz LBKGYWBMZSGLJU-ROUUACIJSA-N 1 0 287.403 3.059 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C2CCOCC2)c1O ZINC000808677813 630663069 /nfs/dbraw/zinc/66/30/69/630663069.db2.gz DTCYMCHCGXIVFR-JTQLQIEISA-N 1 0 269.772 3.184 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H]2CCOC2)c1O ZINC000808679957 630663639 /nfs/dbraw/zinc/66/36/39/630663639.db2.gz FYLOPAPKDQSCJP-QWRGUYRKSA-N 1 0 269.772 3.041 20 10 CGCDRO CC[C@H](C)[C@@H](O)C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808696151 630665787 /nfs/dbraw/zinc/66/57/87/630665787.db2.gz SOFMTWGUBCHBBB-CHIMOYNISA-N 1 0 285.815 3.412 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CCCC[C@@H]2O)c1O ZINC000808714871 630669785 /nfs/dbraw/zinc/66/97/85/630669785.db2.gz FDPICMQDDXVGOM-SWHYSGLUSA-N 1 0 283.799 3.308 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CC[C@H]2CCOC2)c1O ZINC000808714031 630669927 /nfs/dbraw/zinc/66/99/27/630669927.db2.gz RNPBSUBZJKUVMZ-NEPJUHHUSA-N 1 0 283.799 3.431 20 10 CGCDRO COc1cccc(C[NH2+]Cc2cnc(Cl)c(C)c2)c1O ZINC000809740073 630796497 /nfs/dbraw/zinc/79/64/97/630796497.db2.gz KTJQLOZALSYMRB-UHFFFAOYSA-N 1 0 292.766 3.047 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CC[C@H](C3CCC3)C2)c1O ZINC000840188342 630815509 /nfs/dbraw/zinc/81/55/09/630815509.db2.gz IKZABADFWBJZJZ-AWEZNQCLSA-N 1 0 275.392 3.331 20 10 CGCDRO CC[C@H](C[NH2+]Cc1ccc(N(CC)CC)c(F)c1)OC ZINC000810176001 630849718 /nfs/dbraw/zinc/84/97/18/630849718.db2.gz HABBNQJOMCDMEN-CQSZACIVSA-N 1 0 282.403 3.187 20 10 CGCDRO CC[C@H]([NH2+]CCCCO)c1ccc(C(F)(F)F)cc1O ZINC000810237951 630857918 /nfs/dbraw/zinc/85/79/18/630857918.db2.gz LTDHKULRSRONDB-LBPRGKRZSA-N 1 0 291.313 3.224 20 10 CGCDRO CC[C@@H]([NH2+]CCCCO)c1ccc(C(F)(F)F)cc1O ZINC000810237950 630858077 /nfs/dbraw/zinc/85/80/77/630858077.db2.gz LTDHKULRSRONDB-GFCCVEGCSA-N 1 0 291.313 3.224 20 10 CGCDRO CC[C@H](C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)OC ZINC000810258698 630861357 /nfs/dbraw/zinc/86/13/57/630861357.db2.gz UQGNBHADOLDVKA-FOGDFJRCSA-N 1 0 267.344 3.094 20 10 CGCDRO CC[N@H+](Cc1cc(C(C)C)c(C)cc1O)[C@H]1CCOC1 ZINC000812296095 631236473 /nfs/dbraw/zinc/23/64/73/631236473.db2.gz MYYXXWZLIAKHPJ-HNNXBMFYSA-N 1 0 277.408 3.435 20 10 CGCDRO Oc1ccccc1CNc1cc2c(c[nH+]1)CCCC2 ZINC000812781669 631306851 /nfs/dbraw/zinc/30/68/51/631306851.db2.gz DBQVKZRCUOCIRY-UHFFFAOYSA-N 1 0 254.333 3.278 20 10 CGCDRO Cc1cccc(C[NH+]2CC(c3ccccc3F)C2)c1O ZINC000812790711 631309292 /nfs/dbraw/zinc/30/92/92/631309292.db2.gz DXHLXTPLYUDRNQ-UHFFFAOYSA-N 1 0 271.335 3.439 20 10 CGCDRO Cc1cc(C[N@H+]2CCS[C@@H](C)[C@H]2C)ccc1N(C)C ZINC000815050642 631707453 /nfs/dbraw/zinc/70/74/53/631707453.db2.gz DKDKCNBTPMEGIM-KGLIPLIRSA-N 1 0 278.465 3.387 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCCCC[C@@H]2CCO)cc1 ZINC000815113506 631719914 /nfs/dbraw/zinc/71/99/14/631719914.db2.gz DFQVLULNDXERDL-GOSISDBHSA-N 1 0 290.451 3.270 20 10 CGCDRO CCOc1ccc(C[NH2+]CC2(OCC)CCCC2)c(O)c1 ZINC000815148751 631730876 /nfs/dbraw/zinc/73/08/76/631730876.db2.gz IVRIPZGSWMOCSG-UHFFFAOYSA-N 1 0 293.407 3.230 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCN2CCC[C@H](C)C2)c(O)c1 ZINC000815559733 631795131 /nfs/dbraw/zinc/79/51/31/631795131.db2.gz OVOBLDPJLXKKCV-XJKSGUPXSA-N 1 0 290.451 3.392 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCN2CC[C@H](C)C2)c(O)c1 ZINC000815585705 631801334 /nfs/dbraw/zinc/80/13/34/631801334.db2.gz PUXCUOYLEDKGHS-SWLSCSKDSA-N 1 0 276.424 3.001 20 10 CGCDRO CO[C@@H]1CCC[C@H]1C[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000815601061 631804514 /nfs/dbraw/zinc/80/45/14/631804514.db2.gz MNTZNUYTJQYVRI-OFQRWUPVSA-N 1 0 277.408 3.475 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H](OC)C1CC1)c1ccc(C)cc1O ZINC000815651518 631814285 /nfs/dbraw/zinc/81/42/85/631814285.db2.gz VTAAPWGGCBJMEE-GDBMZVCRSA-N 1 0 263.381 3.166 20 10 CGCDRO CCC[N@H+](Cc1conc1CC)Cc1ccccc1O ZINC000816499043 631994247 /nfs/dbraw/zinc/99/42/47/631994247.db2.gz CBSHRIILUNOOIJ-UHFFFAOYSA-N 1 0 274.364 3.355 20 10 CGCDRO C[N@@H+](Cc1ccc2ccccc2c1O)C[C@H]1CCCOC1 ZINC000816505133 631995527 /nfs/dbraw/zinc/99/55/27/631995527.db2.gz NUSUVYUTLDGMLG-CQSZACIVSA-N 1 0 285.387 3.404 20 10 CGCDRO COC[C@H]1CC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816509581 631997846 /nfs/dbraw/zinc/99/78/46/631997846.db2.gz VXKDXFUJMUDHJP-ZDUSSCGKSA-N 1 0 271.360 3.014 20 10 CGCDRO [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H]1CC=CCC1 ZINC000816552180 632008858 /nfs/dbraw/zinc/00/88/58/632008858.db2.gz DASGPDYWTGAVMJ-JTQLQIEISA-N 1 0 255.720 3.383 20 10 CGCDRO CC1(O)CCC([NH2+]Cc2ccc3ccccc3c2O)CC1 ZINC000816554893 632009828 /nfs/dbraw/zinc/00/98/28/632009828.db2.gz LXTJBHRLDDLYEK-UHFFFAOYSA-N 1 0 285.387 3.329 20 10 CGCDRO CN(C)c1ccc(NCc2cc(Cl)c(F)cc2O)nc1 ZINC000816557420 632011596 /nfs/dbraw/zinc/01/15/96/632011596.db2.gz PPMFZSMUXGHFOT-UHFFFAOYSA-N 1 0 295.745 3.258 20 10 CGCDRO C[C@H]1COCC[C@@H]1C[NH2+]Cc1ccc2ccccc2c1O ZINC000816609045 632022873 /nfs/dbraw/zinc/02/28/73/632022873.db2.gz QKZIDOZLCXIGJT-DZGCQCFKSA-N 1 0 285.387 3.308 20 10 CGCDRO C[C@@H]1COCC[C@@H]1C[NH2+]Cc1ccc2ccccc2c1O ZINC000816609047 632023301 /nfs/dbraw/zinc/02/33/01/632023301.db2.gz QKZIDOZLCXIGJT-UKRRQHHQSA-N 1 0 285.387 3.308 20 10 CGCDRO CC[C@H]1CC[C@H]([NH2+]Cc2cc(OC)c(OC)cc2O)CC1 ZINC000816625033 632026459 /nfs/dbraw/zinc/02/64/59/632026459.db2.gz OXPMVVCNQYYWHG-MQMHXKEQSA-N 1 0 293.407 3.468 20 10 CGCDRO CC(C)C1([NH2+]Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000816644701 632031265 /nfs/dbraw/zinc/03/12/65/632031265.db2.gz UNLPOJZBOZIGFV-UHFFFAOYSA-N 1 0 257.736 3.463 20 10 CGCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](C3CCCC3)C1)OCO2 ZINC000817369108 632133205 /nfs/dbraw/zinc/13/32/05/632133205.db2.gz RLQWWOWAQPOLGF-CYBMUJFWSA-N 1 0 289.375 3.133 20 10 CGCDRO CC[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2O)CCO1 ZINC000817414963 632144712 /nfs/dbraw/zinc/14/47/12/632144712.db2.gz NIVLLRVEVZIPIF-STQMWFEESA-N 1 0 269.772 3.093 20 10 CGCDRO COC1([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2)CCCC1 ZINC000817575635 632185971 /nfs/dbraw/zinc/18/59/71/632185971.db2.gz IVTZGYNSHCIZOG-AWEZNQCLSA-N 1 0 276.424 3.190 20 10 CGCDRO C[C@@H]1CC[C@H](C)[C@H]([NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)C1 ZINC000817942155 632240195 /nfs/dbraw/zinc/24/01/95/632240195.db2.gz MNZUBVUTVNUAJW-LTCOOKNTSA-N 1 0 289.467 3.167 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](N)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000817954673 632249125 /nfs/dbraw/zinc/24/91/25/632249125.db2.gz GMCQXIWFESRTIH-MOPGFXCFSA-N 1 0 297.446 3.493 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]CCc2ccc(N)cc2)c1 ZINC000817955410 632250600 /nfs/dbraw/zinc/25/06/00/632250600.db2.gz ADSLKBBNXSQTFX-CYBMUJFWSA-N 1 0 270.376 3.171 20 10 CGCDRO C[C@H]([NH2+]CCc1ccc(N)cc1)c1ccc2c(c1)CCO2 ZINC000817956177 632251246 /nfs/dbraw/zinc/25/12/46/632251246.db2.gz SQAHCPCYHBLCRH-ZDUSSCGKSA-N 1 0 282.387 3.097 20 10 CGCDRO Nc1ccc(CC[NH2+][C@@H]2CCCc3c(O)cccc32)cc1 ZINC000817956900 632252155 /nfs/dbraw/zinc/25/21/55/632252155.db2.gz FMUZENWLKAGFDK-QGZVFWFLSA-N 1 0 282.387 3.184 20 10 CGCDRO CC(C)CO[C@H]1C[C@H]([NH2+]CCc2ccc(N)cc2)C1(C)C ZINC000817957908 632253066 /nfs/dbraw/zinc/25/30/66/632253066.db2.gz QOCQZKPVNJQFNO-IRXDYDNUSA-N 1 0 290.451 3.241 20 10 CGCDRO CC(C)CO[C@@H]1C[C@H]([NH2+]CCc2ccc(N)cc2)C1(C)C ZINC000817957904 632253738 /nfs/dbraw/zinc/25/37/38/632253738.db2.gz QOCQZKPVNJQFNO-DLBZAZTESA-N 1 0 290.451 3.241 20 10 CGCDRO Nc1ccc(CC[NH2+][C@@H]2CCC[C@H]2CCCF)cc1 ZINC000817958220 632253940 /nfs/dbraw/zinc/25/39/40/632253940.db2.gz TYDMEMZGQQIKQH-GOEBONIOSA-N 1 0 264.388 3.319 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](CN)C2CCCCC2)c1 ZINC000817958946 632254643 /nfs/dbraw/zinc/25/46/43/632254643.db2.gz NDVDIFDORSTBAN-XJKSGUPXSA-N 1 0 276.424 3.259 20 10 CGCDRO C[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccc(Cl)c(Cl)c1[O-] ZINC000817961123 632257330 /nfs/dbraw/zinc/25/73/30/632257330.db2.gz XLIOGJMLLDMJOW-SSDOTTSWSA-N 1 0 277.195 3.087 20 10 CGCDRO CCC[NH2+]CCN[C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000817962457 632257603 /nfs/dbraw/zinc/25/76/03/632257603.db2.gz MOAORZADDAXLLF-MRXNPFEDSA-N 1 0 289.467 3.327 20 10 CGCDRO C[C@@H]([NH2+]CC1([NH3+])CCC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817964424 632258651 /nfs/dbraw/zinc/25/86/51/632258651.db2.gz CFZVVADEZULGNN-MRVPVSSYSA-N 1 0 289.206 3.231 20 10 CGCDRO CC[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1cccc(Cl)c1[O-] ZINC000817976904 632267546 /nfs/dbraw/zinc/26/75/46/632267546.db2.gz WTFFVXLZPWZFKC-KGLIPLIRSA-N 1 0 294.826 3.228 20 10 CGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CCC[C@@H]3C)C2)cc1 ZINC000818222892 632299290 /nfs/dbraw/zinc/29/92/90/632299290.db2.gz XTHTUJZIQXCOHU-DAYGRLMNSA-N 1 0 288.435 3.300 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCc3c2cccc3O)c1 ZINC000105486538 635866216 /nfs/dbraw/zinc/86/62/16/635866216.db2.gz NMQJKVPNYFBWGW-MRXNPFEDSA-N 1 0 299.370 3.274 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](C2CCC2)[C@H]2CCOC2)cc1C ZINC000865761730 632883307 /nfs/dbraw/zinc/88/33/07/632883307.db2.gz PCFDXZLYSFWUDN-WMZOPIPTSA-N 1 0 289.419 3.298 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@]23CCC[C@H]2OCC3)cc1 ZINC000865857944 632921672 /nfs/dbraw/zinc/92/16/72/632921672.db2.gz WSXIZHJLBGBHCZ-KKSLTYSGSA-N 1 0 286.419 3.067 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+][C@H]1C[C@]1(F)c1ccccc1 ZINC000822497948 632947669 /nfs/dbraw/zinc/94/76/69/632947669.db2.gz PFPBRGVJQXUIJF-HOTGVXAUSA-N 1 0 275.298 3.258 20 10 CGCDRO CC[C@@H]([NH2+]CC[C@@H](O)C(F)F)c1cc(Cl)ccc1O ZINC000866442469 633133802 /nfs/dbraw/zinc/13/38/02/633133802.db2.gz MIYBDJQFZIXWBO-ZYHUDNBSSA-N 1 0 293.741 3.102 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)c(O)c1C ZINC000866445849 633136160 /nfs/dbraw/zinc/13/61/60/633136160.db2.gz SLDKBRYMBILMRN-MTNSGQCJSA-N 1 0 287.403 3.083 20 10 CGCDRO C[C@H]([NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2)c1cc(Cl)ccc1O ZINC000866446621 633136323 /nfs/dbraw/zinc/13/63/23/633136323.db2.gz VYYCMPKICFXTNA-RIJNBJNWSA-N 1 0 293.794 3.120 20 10 CGCDRO C[C@H]([NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2)c1ccc(Cl)cc1O ZINC000866446918 633137040 /nfs/dbraw/zinc/13/70/40/633137040.db2.gz VJLSATWGGMORIT-RIJNBJNWSA-N 1 0 293.794 3.120 20 10 CGCDRO Cc1ncc([C@H](C)[NH2+][C@@H]2CCc3cccc(O)c32)s1 ZINC000866454649 633143146 /nfs/dbraw/zinc/14/31/46/633143146.db2.gz GHXKFMYBHYZAOF-JOYOIKCWSA-N 1 0 274.389 3.495 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2C[C@H]2C(F)(F)F)c1 ZINC000866499046 633161316 /nfs/dbraw/zinc/16/13/16/633161316.db2.gz DGQQLAUOICXGIK-WHGOUJPWSA-N 1 0 275.270 3.002 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@H]1CCC13CCOCC3)CC2 ZINC000866529412 633174176 /nfs/dbraw/zinc/17/41/76/633174176.db2.gz GFKOXVOWWYCHIO-CABCVRRESA-N 1 0 287.403 3.176 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1ccnn1C)c1ccc(Cl)cc1O ZINC000866612656 633212351 /nfs/dbraw/zinc/21/23/51/633212351.db2.gz AYEVQEAVVBHKAS-ZJUUUORDSA-N 1 0 279.771 3.191 20 10 CGCDRO CO[C@@H](C[NH2+]Cc1cccc(C)c1O)Cc1ccccc1 ZINC000824590535 633261663 /nfs/dbraw/zinc/26/16/63/633261663.db2.gz OIWSVUBOQNERQY-QGZVFWFLSA-N 1 0 285.387 3.048 20 10 CGCDRO COC[C@@]1(C)CC[N@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000824582593 633261964 /nfs/dbraw/zinc/26/19/64/633261964.db2.gz AUGSQHXBLOOQRA-HNNXBMFYSA-N 1 0 283.799 3.212 20 10 CGCDRO Cc1cc(O)c(C[N@@H+](C)[C@@H]2CCN(C3CC3)C2)cc1Cl ZINC000824713860 633278246 /nfs/dbraw/zinc/27/82/46/633278246.db2.gz LEIQBRTZRSYFMN-CQSZACIVSA-N 1 0 294.826 3.023 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]C[C@H]1CCOC2(CCC2)C1 ZINC000824751371 633282736 /nfs/dbraw/zinc/28/27/36/633282736.db2.gz UUJLACCCMHLNLM-LBPRGKRZSA-N 1 0 295.810 3.485 20 10 CGCDRO C[C@]1(C[NH2+]Cc2ccccc2O)CC1(Cl)Cl ZINC000824764502 633284531 /nfs/dbraw/zinc/28/45/31/633284531.db2.gz BEEWUTGYSKRLNX-LLVKDONJSA-N 1 0 260.164 3.066 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCSC[C@@H]2C2CC2)cc1 ZINC000824913913 633304518 /nfs/dbraw/zinc/30/45/18/633304518.db2.gz IQYWPHWDWJXSPS-MRXNPFEDSA-N 1 0 276.449 3.080 20 10 CGCDRO CC[C@H]([NH2+]Cc1cc(-c2ccccc2)ccc1O)[C@@H](C)O ZINC000824922094 633305987 /nfs/dbraw/zinc/30/59/87/633305987.db2.gz WKXMNXCAEAJQDA-DYVFJYSZSA-N 1 0 285.387 3.308 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2C[C@@H](C3CC3)[C@@H]2C2CC2)c1 ZINC000824941367 633308728 /nfs/dbraw/zinc/30/87/28/633308728.db2.gz MUOHXZRTSRWNRA-RDJZCZTQSA-N 1 0 257.377 3.321 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@@H](C3CC3)[C@H]2C2CC2)c1 ZINC000824940718 633308813 /nfs/dbraw/zinc/30/88/13/633308813.db2.gz BEODOEQLPFUDNI-FUHWJXTLSA-N 1 0 287.403 3.411 20 10 CGCDRO Cc1cccc(C[NH2+]C2CCC(OC(F)F)CC2)c1O ZINC000825143963 633332365 /nfs/dbraw/zinc/33/23/65/633332365.db2.gz IRHVGXRPAYEZQB-UHFFFAOYSA-N 1 0 285.334 3.341 20 10 CGCDRO CO[C@H](C[NH2+]Cc1cc(Cl)c(C)cc1O)C(F)(F)F ZINC000825253952 633340317 /nfs/dbraw/zinc/34/03/17/633340317.db2.gz KQDVQEQGPOFADV-LLVKDONJSA-N 1 0 297.704 3.021 20 10 CGCDRO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000825284538 633342484 /nfs/dbraw/zinc/34/24/84/633342484.db2.gz OUFSLYPCPAXTLC-CHWSQXEVSA-N 1 0 299.798 3.101 20 10 CGCDRO CO[C@H](C[NH2+]Cc1cc(Cl)c(C)cc1O)C(C)C ZINC000825321157 633344864 /nfs/dbraw/zinc/34/48/64/633344864.db2.gz TVNPFCAJLNWMNQ-CQSZACIVSA-N 1 0 271.788 3.115 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCCS2)cc1Cl ZINC000825337410 633347359 /nfs/dbraw/zinc/34/73/59/633347359.db2.gz LQUCVZZCUZHAIQ-NSHDSACASA-N 1 0 271.813 3.339 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCCS2)cc1Cl ZINC000825337409 633347390 /nfs/dbraw/zinc/34/73/90/633347390.db2.gz LQUCVZZCUZHAIQ-LLVKDONJSA-N 1 0 271.813 3.339 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C2C[C@H](C)O[C@@H](C)C2)cc1Cl ZINC000825396660 633352178 /nfs/dbraw/zinc/35/21/78/633352178.db2.gz WFACXFVGCOCUSU-QWRGUYRKSA-N 1 0 283.799 3.400 20 10 CGCDRO Cc1cc(O)c(C[N@H+](C)Cc2cccnc2)cc1Cl ZINC000825446216 633354971 /nfs/dbraw/zinc/35/49/71/633354971.db2.gz HZTPENZJMPVLBI-UHFFFAOYSA-N 1 0 276.767 3.381 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H](C)CN(C)C(C)C)cc1Cl ZINC000825948871 633391960 /nfs/dbraw/zinc/39/19/60/633391960.db2.gz LTHMLSYLRSAMCN-GFCCVEGCSA-N 1 0 284.831 3.172 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H]2C2CC2)cc1Cl ZINC000826043699 633400527 /nfs/dbraw/zinc/40/05/27/633400527.db2.gz ORJHGMHJRBIEJX-ZDUSSCGKSA-N 1 0 251.757 3.338 20 10 CGCDRO Cc1cc(O)c(C[NH+]2CC3(CC(F)C3)C2)cc1Cl ZINC000826112773 633406178 /nfs/dbraw/zinc/40/61/78/633406178.db2.gz CKPHTVPKPCJKCS-UHFFFAOYSA-N 1 0 269.747 3.288 20 10 CGCDRO C[C@@H](CSCCF)[NH2+]Cc1cc(Cl)ccc1O ZINC000826139503 633407545 /nfs/dbraw/zinc/40/75/45/633407545.db2.gz DNMJYMZJCFTUHW-VIFPVBQESA-N 1 0 277.792 3.226 20 10 CGCDRO Cc1ccc2c(c1)C[N@@H+](Cc1ccccc1O)CC2 ZINC000826911324 633443314 /nfs/dbraw/zinc/44/33/14/633443314.db2.gz WKPUGUJJWFKTDQ-UHFFFAOYSA-N 1 0 253.345 3.259 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CCC[C@H](C)O2)c1O ZINC000827252093 633474992 /nfs/dbraw/zinc/47/49/92/633474992.db2.gz WVMKZYUEHZSHPY-FZMZJTMJSA-N 1 0 283.799 3.401 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+]C[C@@]2(C)CC2(F)F)c1O ZINC000827251612 633475038 /nfs/dbraw/zinc/47/50/38/633475038.db2.gz JCOXYXJZNMBROF-GFCCVEGCSA-N 1 0 275.726 3.489 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH+]1CCC(c2ccon2)CC1 ZINC000827627531 633504069 /nfs/dbraw/zinc/50/40/69/633504069.db2.gz WFIBYBZBPUPMBS-UHFFFAOYSA-N 1 0 299.418 3.429 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](Oc3ccccc3)C2)c1 ZINC000827640350 633505972 /nfs/dbraw/zinc/50/59/72/633505972.db2.gz VUGBZWWMYIIWFV-QGZVFWFLSA-N 1 0 283.371 3.354 20 10 CGCDRO Cc1cc(C[N@@H+](C)CC[C@@H](C)O)ccc1N1CCCCC1 ZINC000827893829 633531008 /nfs/dbraw/zinc/53/10/08/633531008.db2.gz IVAYFRQUPZPGJQ-MRXNPFEDSA-N 1 0 290.451 3.188 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](c3cccnc3)C2)cc1 ZINC000829523239 633747382 /nfs/dbraw/zinc/74/73/82/633747382.db2.gz URHYDKUXUOPQST-QGZVFWFLSA-N 1 0 281.403 3.137 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C[C@H](C)O1 ZINC000830161226 633834278 /nfs/dbraw/zinc/83/42/78/633834278.db2.gz NXKSWUQMJRFUAF-SCAQPMJSSA-N 1 0 288.435 3.332 20 10 CGCDRO CCN(C)c1ccc(C[N@H+](C)Cc2ccc(C)cn2)cc1 ZINC000831059080 633914826 /nfs/dbraw/zinc/91/48/26/633914826.db2.gz QQFAKEDDHPVQFY-UHFFFAOYSA-N 1 0 283.419 3.478 20 10 CGCDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872261909 634092743 /nfs/dbraw/zinc/09/27/43/634092743.db2.gz KBQDSUOAINLNLO-MRXNPFEDSA-N 1 0 293.382 3.455 20 10 CGCDRO C[C@@H](C[NH2+][C@H]1CCc2cccc(O)c21)N1CCCC[C@H]1C ZINC000834508962 634174561 /nfs/dbraw/zinc/17/45/61/634174561.db2.gz UFPAOEABAGWCLH-YCPHGPKFSA-N 1 0 288.435 3.232 20 10 CGCDRO CO[C@@H]1C[C@H]([NH2+]CCCSc2nccs2)C12CCC2 ZINC000834593013 634193856 /nfs/dbraw/zinc/19/38/56/634193856.db2.gz GSBZMGBPUQRMIV-NWDGAFQWSA-N 1 0 298.477 3.173 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]CCC[C@@H]1CCCC[C@H]1O)CC2 ZINC000834684894 634219554 /nfs/dbraw/zinc/21/95/54/634219554.db2.gz AHZPJRSBOXRFNR-NUEKZKHPSA-N 1 0 289.419 3.300 20 10 CGCDRO C[C@]1(C[NH2+][C@H]2CCc3cccc(O)c32)CCO[C@@H]1C1CC1 ZINC000834769161 634239303 /nfs/dbraw/zinc/23/93/03/634239303.db2.gz ITJSHZDNAADFRJ-BMGDILEWSA-N 1 0 287.403 3.174 20 10 CGCDRO CC1(C)CCCN(CC[NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000834787684 634242771 /nfs/dbraw/zinc/24/27/71/634242771.db2.gz QZRMUDJMXGDGLH-HNNXBMFYSA-N 1 0 288.435 3.091 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H](C)C2)cc1Cn1cccn1 ZINC000873112554 634247255 /nfs/dbraw/zinc/24/72/55/634247255.db2.gz WEXOLRFVZWECAL-RHSMWYFYSA-N 1 0 299.418 3.218 20 10 CGCDRO CCn1ccnc1C[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000834880268 634263752 /nfs/dbraw/zinc/26/37/52/634263752.db2.gz QUYUHUKPRPXAOH-ZYHUDNBSSA-N 1 0 289.354 3.086 20 10 CGCDRO CC[C@](C)(C[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F)OC ZINC000834882196 634264700 /nfs/dbraw/zinc/26/47/00/634264700.db2.gz KZMUYPHVNSUJHK-KNHMANMVSA-N 1 0 281.371 3.484 20 10 CGCDRO CCC1(C[NH2+][C@H](C)c2c(C)cc(C)cc2O)COC1 ZINC000834900638 634278133 /nfs/dbraw/zinc/27/81/33/634278133.db2.gz QJSDYHGSCLWNIW-CYBMUJFWSA-N 1 0 263.381 3.086 20 10 CGCDRO CCCc1ncc(C[NH2+][C@H](C)c2cc(F)ccc2O)o1 ZINC000834900982 634278155 /nfs/dbraw/zinc/27/81/55/634278155.db2.gz VIMHXXCRLVLMAX-SNVBAGLBSA-N 1 0 278.327 3.323 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2COCC2(C)C)c(O)c1C ZINC000834904136 634281166 /nfs/dbraw/zinc/28/11/66/634281166.db2.gz NJCRJGLSDPTREH-TZMCWYRMSA-N 1 0 263.381 3.085 20 10 CGCDRO CC[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1ccc(F)cc1[O-] ZINC000834909566 634284070 /nfs/dbraw/zinc/28/40/70/634284070.db2.gz SKLTZUCMLHDFPP-INIZCTEOSA-N 1 0 294.414 3.446 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2CC[C@@H](C)O2)c(O)c1 ZINC000834915933 634286144 /nfs/dbraw/zinc/28/61/44/634286144.db2.gz UWOBCXRWHJQXIU-HZSPNIEDSA-N 1 0 263.381 3.227 20 10 CGCDRO CC[C@H](C)N(C)CC[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835035404 634327565 /nfs/dbraw/zinc/32/75/65/634327565.db2.gz CPEJJZNJUWQKFQ-PTZVLDCSSA-N 1 0 289.467 3.086 20 10 CGCDRO CC[C@H](C[C@H](C)CO)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835039887 634329394 /nfs/dbraw/zinc/32/93/94/634329394.db2.gz LXOAIBMIJSKANY-WWJLMDQWSA-N 1 0 290.451 3.153 20 10 CGCDRO C[C@H]([NH2+]C/C=C\c1ccc(N(C)C)cc1)C1CCOCC1 ZINC000835043187 634330336 /nfs/dbraw/zinc/33/03/36/634330336.db2.gz NRQMZDSSBJBHQD-XVWMLYKFSA-N 1 0 288.435 3.171 20 10 CGCDRO COC1(C)CC[NH+](C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000835043674 634331493 /nfs/dbraw/zinc/33/14/93/634331493.db2.gz BCERVKIGNBDELY-WAYWQWQTSA-N 1 0 288.435 3.267 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+]C2(CO)CCCCC2)cc1 ZINC000835046277 634333131 /nfs/dbraw/zinc/33/31/31/634333131.db2.gz IFMJNSQAZWIBMT-SREVYHEPSA-N 1 0 288.435 3.051 20 10 CGCDRO CCn1cc([C@@H](C)[NH2+]C/C=C/c2ccc(N(C)C)cc2)cn1 ZINC000835055559 634339598 /nfs/dbraw/zinc/33/95/98/634339598.db2.gz WHQGXZOGZHDINE-LQYUOIDQSA-N 1 0 298.434 3.333 20 10 CGCDRO COC(=O)c1ccc(C[N@H+](C)Cc2c(C)cccc2O)cc1 ZINC000876612537 634867892 /nfs/dbraw/zinc/86/78/92/634867892.db2.gz OYVGZQJIRQDMTQ-UHFFFAOYSA-N 1 0 299.370 3.119 20 10 CGCDRO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1c(C)cccc1O)C2 ZINC000876715462 634885157 /nfs/dbraw/zinc/88/51/57/634885157.db2.gz MHDBULKZWBPOBB-UHFFFAOYSA-N 1 0 297.354 3.003 20 10 CGCDRO COc1ccc(OC)c(C[NH2+]Cc2c(C)cccc2O)c1 ZINC000876909803 634927223 /nfs/dbraw/zinc/92/72/23/634927223.db2.gz IPCBOPVXYIANRV-UHFFFAOYSA-N 1 0 287.359 3.008 20 10 CGCDRO COc1cccc(C[NH2+]Cc2ccc(C)cc2O)c1OC ZINC000876947616 634935401 /nfs/dbraw/zinc/93/54/01/634935401.db2.gz JWAOVRVKIFWFCG-UHFFFAOYSA-N 1 0 287.359 3.008 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2ccc([C@@H](C)O)cc2)c(O)c1 ZINC000876969283 634941436 /nfs/dbraw/zinc/94/14/36/634941436.db2.gz ZTXLYMCXKRTPSE-CYBMUJFWSA-N 1 0 271.360 3.044 20 10 CGCDRO COc1cc(C[NH2+]Cc2c(C)cccc2O)ccc1C ZINC000876980980 634942243 /nfs/dbraw/zinc/94/22/43/634942243.db2.gz KYUSWNKAXLORQI-UHFFFAOYSA-N 1 0 271.360 3.307 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]CC1(CCO)CCCCC1 ZINC000877076790 634974156 /nfs/dbraw/zinc/97/41/56/634974156.db2.gz QVWOCDVCVOSAIT-UHFFFAOYSA-N 1 0 277.408 3.123 20 10 CGCDRO COC[C@@H]([NH2+]Cc1ccc(C)cc1O)c1ccc(C)o1 ZINC000877080330 634976534 /nfs/dbraw/zinc/97/65/34/634976534.db2.gz IBGUDUZQGIYEMI-CQSZACIVSA-N 1 0 275.348 3.079 20 10 CGCDRO Cc1cnc([C@@H](C)[NH2+]Cc2ccc(C)cc2O)s1 ZINC000877081379 634977216 /nfs/dbraw/zinc/97/72/16/634977216.db2.gz NEKYHCQMWVOJRH-LLVKDONJSA-N 1 0 262.378 3.316 20 10 CGCDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000877123374 634991112 /nfs/dbraw/zinc/99/11/12/634991112.db2.gz JRYSUYARHWPTIK-CJNGLKHVSA-N 1 0 277.408 3.384 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])c(O)c1 ZINC000877129238 634994449 /nfs/dbraw/zinc/99/44/49/634994449.db2.gz AEMMDAGBYUZHNZ-LBPRGKRZSA-N 1 0 286.331 3.460 20 10 CGCDRO Cc1cccc(O)c1C[NH2+][C@H](C)C[C@H](O)c1cccs1 ZINC000877130541 634995844 /nfs/dbraw/zinc/99/58/44/634995844.db2.gz RSTJVUTUZBNMDQ-DOMZBBRYSA-N 1 0 291.416 3.364 20 10 CGCDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCO[C@H](CC(C)C)C1 ZINC000877141529 634999616 /nfs/dbraw/zinc/99/96/16/634999616.db2.gz JLGZNGBULLZPAO-HUUCEWRRSA-N 1 0 277.408 3.384 20 10 CGCDRO CCCOc1ccc(C[NH2+]C2CCC(O)CC2)cc1C ZINC000877423653 635038579 /nfs/dbraw/zinc/03/85/79/635038579.db2.gz IIHVHSYHTJTZOU-UHFFFAOYSA-N 1 0 277.408 3.177 20 10 CGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@@H]1CS[C@@H](C)C1 ZINC000877477361 635051003 /nfs/dbraw/zinc/05/10/03/635051003.db2.gz BLXXLHNVGWFGPI-WFASDCNBSA-N 1 0 264.438 3.256 20 10 CGCDRO Cc1ccc(C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)c(O)c1 ZINC000877480094 635053723 /nfs/dbraw/zinc/05/37/23/635053723.db2.gz ZZDCJVKMSWUDAJ-NSHDSACASA-N 1 0 273.298 3.475 20 10 CGCDRO C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cc(F)cc(F)c1[O-] ZINC000840809273 635055887 /nfs/dbraw/zinc/05/58/87/635055887.db2.gz HVYTWPCZWBPYEA-NWDGAFQWSA-N 1 0 298.377 3.053 20 10 CGCDRO COc1ccc(C[NH2+]Cc2c(C)cccc2OC)c(O)c1 ZINC000877493134 635059573 /nfs/dbraw/zinc/05/95/73/635059573.db2.gz GOKAGYRMGFZQHJ-UHFFFAOYSA-N 1 0 287.359 3.008 20 10 CGCDRO COCC[C@H](C)C[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000840834931 635060817 /nfs/dbraw/zinc/06/08/17/635060817.db2.gz CBXWCCVEHJPEST-STQMWFEESA-N 1 0 251.370 3.024 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H](C)CCOC)c1ccc(C)cc1O ZINC000840836033 635060998 /nfs/dbraw/zinc/06/09/98/635060998.db2.gz SADUKYUMXPCALN-DZGCQCFKSA-N 1 0 265.397 3.414 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H](C)CCOC)c1ccc(N(C)C)cc1 ZINC000840837860 635061380 /nfs/dbraw/zinc/06/13/80/635061380.db2.gz XDHLDBPMGSDSPE-RHSMWYFYSA-N 1 0 278.440 3.466 20 10 CGCDRO CCN(CC)c1ccc(CNc2[nH+]ccn2C)cc1F ZINC000840887174 635075850 /nfs/dbraw/zinc/07/58/50/635075850.db2.gz GGNQGUYTEFDETJ-UHFFFAOYSA-N 1 0 276.359 3.018 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@@H+](C)CCCOC(C)C ZINC000840917145 635082447 /nfs/dbraw/zinc/08/24/47/635082447.db2.gz HHOOBWJRANBAEQ-UHFFFAOYSA-N 1 0 278.440 3.308 20 10 CGCDRO Cc1nc(CC[NH2+]Cc2ccc(N(C)C)cc2C)cs1 ZINC000840928723 635083876 /nfs/dbraw/zinc/08/38/76/635083876.db2.gz GUHYZXOQZFNVDL-UHFFFAOYSA-N 1 0 289.448 3.158 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCOCC2CCC2)c(Cl)c1 ZINC000840939416 635086528 /nfs/dbraw/zinc/08/65/28/635086528.db2.gz MMHYKMIZDUKLSJ-UHFFFAOYSA-N 1 0 283.799 3.260 20 10 CGCDRO CC[N@H+](Cc1ccncc1)Cc1ccc(N(C)C)cc1C ZINC000840946122 635089384 /nfs/dbraw/zinc/08/93/84/635089384.db2.gz ITWYKXQZJHJAQX-UHFFFAOYSA-N 1 0 283.419 3.478 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000840950891 635091054 /nfs/dbraw/zinc/09/10/54/635091054.db2.gz QFRPGYNRJQJHQD-GOSISDBHSA-N 1 0 288.435 3.064 20 10 CGCDRO CC[N@@H+](Cc1c(O)cc(C)cc1Cl)C[C@H](C)OC ZINC000840948637 635091508 /nfs/dbraw/zinc/09/15/08/635091508.db2.gz VTYKEBZNENAIAG-NSHDSACASA-N 1 0 271.788 3.211 20 10 CGCDRO Cc1ccc(C[NH2+]C[C@H]2CCOC3(CCC3)C2)c(O)c1 ZINC000877564776 635093111 /nfs/dbraw/zinc/09/31/11/635093111.db2.gz LFPWJVJICZCHBV-AWEZNQCLSA-N 1 0 275.392 3.140 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C(C)(C)COC(C)C)cc1C ZINC000840973390 635098112 /nfs/dbraw/zinc/09/81/12/635098112.db2.gz IWJKLFDNHZEKAX-UHFFFAOYSA-N 1 0 265.397 3.302 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H](C)COC(C)C ZINC000840975683 635099407 /nfs/dbraw/zinc/09/94/07/635099407.db2.gz JTDSMCRSBPHFJX-JKSUJKDBSA-N 1 0 292.467 3.395 20 10 CGCDRO Cc1cccc(O)c1C[NH2+][C@H](c1ccccc1F)[C@H](C)O ZINC000877610208 635110813 /nfs/dbraw/zinc/11/08/13/635110813.db2.gz HKZCLOPGFYUCHL-SJCJKPOMSA-N 1 0 289.350 3.051 20 10 CGCDRO Nc1ccc(CC[NH2+]Cc2ccc(OC(F)F)cc2)cc1 ZINC000841036989 635111294 /nfs/dbraw/zinc/11/12/94/635111294.db2.gz RASZRQQMVFSRGR-UHFFFAOYSA-N 1 0 292.329 3.203 20 10 CGCDRO C[C@@H](Cc1ccccc1F)[NH2+]CCc1ccc(N)cc1 ZINC000841038954 635112406 /nfs/dbraw/zinc/11/24/06/635112406.db2.gz VQTCUBMICOOEKH-ZDUSSCGKSA-N 1 0 272.367 3.171 20 10 CGCDRO COc1cncc(C[NH2+]Cc2cc(Cl)ccc2O)c1C ZINC000877612133 635112861 /nfs/dbraw/zinc/11/28/61/635112861.db2.gz DAKYLWISAOPQGI-UHFFFAOYSA-N 1 0 292.766 3.047 20 10 CGCDRO CCCC[C@@H](CC)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000841045831 635114512 /nfs/dbraw/zinc/11/45/12/635114512.db2.gz QYZMDABGMYFYGF-NVXWUHKLSA-N 1 0 277.456 3.311 20 10 CGCDRO Nc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccccc1O ZINC000841057471 635115213 /nfs/dbraw/zinc/11/52/13/635115213.db2.gz HRSHUNKSXQJZIZ-MRXNPFEDSA-N 1 0 268.360 3.142 20 10 CGCDRO COc1cccc2c1OCC[C@@H]2[NH2+]Cc1c(C)cccc1O ZINC000877619043 635115544 /nfs/dbraw/zinc/11/55/44/635115544.db2.gz MLKINWNQDDOICO-HNNXBMFYSA-N 1 0 299.370 3.323 20 10 CGCDRO c1cc(N2CCCCC2)ccc1CN1CC[C@]2(CCC[NH2+]2)C1 ZINC000841106383 635122209 /nfs/dbraw/zinc/12/22/09/635122209.db2.gz LLOKXYZXYTWPQJ-LJQANCHMSA-N 1 0 299.462 3.005 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000877633623 635123759 /nfs/dbraw/zinc/12/37/59/635123759.db2.gz OAZJOGPMKWZVIQ-QAPCUYQASA-N 1 0 289.419 3.482 20 10 CGCDRO COc1cccc(C[NH+]2CC(c3ccccc3)C2)c1O ZINC000877666153 635138833 /nfs/dbraw/zinc/13/88/33/635138833.db2.gz YAXPJENLMDYOFR-UHFFFAOYSA-N 1 0 269.344 3.000 20 10 CGCDRO Oc1ccccc1C[N@H+]1CC[C@H](O)C[C@@H]1c1ccccc1 ZINC000877673795 635141408 /nfs/dbraw/zinc/14/14/08/635141408.db2.gz RMDGFCSRZMCDRX-DLBZAZTESA-N 1 0 283.371 3.090 20 10 CGCDRO CCC(C)(C)CC[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000877674004 635141465 /nfs/dbraw/zinc/14/14/65/635141465.db2.gz LCFJPAYPYJICGG-UHFFFAOYSA-N 1 0 281.396 3.325 20 10 CGCDRO Cc1ccc(C[NH+]2CCC(CCF)CC2)c(O)c1 ZINC000877673611 635141608 /nfs/dbraw/zinc/14/16/08/635141608.db2.gz HMZFJCRYHQPNCF-UHFFFAOYSA-N 1 0 251.345 3.272 20 10 CGCDRO CC(C)Cn1nccc1C[NH2+][C@H](C)c1ccccc1O ZINC000877755588 635184792 /nfs/dbraw/zinc/18/47/92/635184792.db2.gz HFGWDNQRVHICOZ-CYBMUJFWSA-N 1 0 273.380 3.096 20 10 CGCDRO COc1cc(C)c(C[NH2+][C@H](C)c2ccccc2O)c(C)n1 ZINC000877756621 635185735 /nfs/dbraw/zinc/18/57/35/635185735.db2.gz YUEBTDAANCBJDB-GFCCVEGCSA-N 1 0 286.375 3.263 20 10 CGCDRO CCc1ncc(C[NH2+][C@@H](C)c2ccccc2O)s1 ZINC000877757411 635186359 /nfs/dbraw/zinc/18/63/59/635186359.db2.gz ZDVLLEBVPYFRND-JTQLQIEISA-N 1 0 262.378 3.262 20 10 CGCDRO CC(C)n1cncc1C[NH2+][C@@H](C)c1ccccc1O ZINC000877758174 635187725 /nfs/dbraw/zinc/18/77/25/635187725.db2.gz LOXFFXDJFGAPBN-LBPRGKRZSA-N 1 0 259.353 3.020 20 10 CGCDRO CCC(O)(CC)C[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841746568 635221645 /nfs/dbraw/zinc/22/16/45/635221645.db2.gz IBAQCYNNBYNTAL-SNVBAGLBSA-N 1 0 271.788 3.247 20 10 CGCDRO CC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])CC1 ZINC000841746769 635223817 /nfs/dbraw/zinc/22/38/17/635223817.db2.gz LDMAAIWRMRHBNE-LBPRGKRZSA-N 1 0 296.842 3.428 20 10 CGCDRO Cc1nnsc1C[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841753211 635226696 /nfs/dbraw/zinc/22/66/96/635226696.db2.gz DWMZJDCSXWDVJI-ZETCQYMHSA-N 1 0 283.784 3.056 20 10 CGCDRO Cc1ncc(C[NH2+][C@@H](C)c2ccc(Cl)cc2O)o1 ZINC000841752517 635226795 /nfs/dbraw/zinc/22/67/95/635226795.db2.gz BCTVSKOJCIJDRD-QMMMGPOBSA-N 1 0 266.728 3.193 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1CCC=CO1)c1ccc(Cl)cc1O ZINC000841753762 635227514 /nfs/dbraw/zinc/22/75/14/635227514.db2.gz VTPFLPCJAWJEKJ-CMPLNLGQSA-N 1 0 267.756 3.389 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1O)c1cn[nH]c1 ZINC000841752711 635227604 /nfs/dbraw/zinc/22/76/04/635227604.db2.gz VHSAGSOGHFPSLE-BDAKNGLRSA-N 1 0 265.744 3.181 20 10 CGCDRO CO[C@@H](C[NH2+][C@@H](C)c1ccccc1O)CC(C)C ZINC000841755720 635229648 /nfs/dbraw/zinc/22/96/48/635229648.db2.gz LRITXRVQCJAEPB-QWHCGFSZSA-N 1 0 251.370 3.104 20 10 CGCDRO COc1cccnc1C[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841755519 635230302 /nfs/dbraw/zinc/23/03/02/635230302.db2.gz IBCRFQOUQVMEPP-SNVBAGLBSA-N 1 0 292.766 3.300 20 10 CGCDRO C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1[O-] ZINC000841758612 635231461 /nfs/dbraw/zinc/23/14/61/635231461.db2.gz UAEYIYPBZSNBLW-CHWSQXEVSA-N 1 0 296.842 3.428 20 10 CGCDRO CC[C@H](C)[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841757677 635231502 /nfs/dbraw/zinc/23/15/02/635231502.db2.gz FEEDCXJCFWBJOM-PGUXBMHVSA-N 1 0 285.815 3.493 20 10 CGCDRO C[C@H]([NH2+][C@@H](CO)c1ccccc1)c1ccc(Cl)cc1O ZINC000841761788 635232667 /nfs/dbraw/zinc/23/26/67/635232667.db2.gz ZUNGWHYNPAEERH-NHYWBVRUSA-N 1 0 291.778 3.430 20 10 CGCDRO C[C@H]([NH2+][C@@H](CO)CC1CCCCC1)c1ccccc1O ZINC000841762960 635232969 /nfs/dbraw/zinc/23/29/69/635232969.db2.gz SQNVZPMRSHTMOJ-DZGCQCFKSA-N 1 0 277.408 3.374 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cc(F)ccc1O)[C@@H](O)c1ccccc1 ZINC000877832473 635233034 /nfs/dbraw/zinc/23/30/34/635233034.db2.gz MKCVUDKVOPBERI-WBVHZDCISA-N 1 0 289.350 3.133 20 10 CGCDRO CCCC[N@H+](Cc1cncn1CC)Cc1ccccc1O ZINC000841884644 635246469 /nfs/dbraw/zinc/24/64/69/635246469.db2.gz OMDXKRMZMGXLSC-UHFFFAOYSA-N 1 0 287.407 3.411 20 10 CGCDRO CCCC[N@@H+](Cc1ccccc1O)C[C@@H](CC)OC ZINC000842160140 635300412 /nfs/dbraw/zinc/30/04/12/635300412.db2.gz VBZVDVLCVICJFA-OAHLLOKOSA-N 1 0 265.397 3.419 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@H+]2CC3(C[C@H]2C)CCOCC3)c1 ZINC000842637787 635426700 /nfs/dbraw/zinc/42/67/00/635426700.db2.gz RJFYUXOPEBJPNP-OAHLLOKOSA-N 1 0 289.419 3.400 20 10 CGCDRO C[C@H]1C[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)CO1 ZINC000842776243 635468820 /nfs/dbraw/zinc/46/88/20/635468820.db2.gz ULGKCJDTCSZOCM-GUYCJALGSA-N 1 0 283.371 3.326 20 10 CGCDRO C=C/C=C/CC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000878358061 635474119 /nfs/dbraw/zinc/47/41/19/635474119.db2.gz LBGNFIRMNIQIAF-DWTRPJMMSA-N 1 0 286.419 3.306 20 10 CGCDRO [O-]c1c(Cl)cccc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000843046210 635548983 /nfs/dbraw/zinc/54/89/83/635548983.db2.gz PWEBLBNCGSNHFC-HNNXBMFYSA-N 1 0 294.826 3.010 20 10 CGCDRO Cc1ccc(CCCN2CCCc3cc(C[NH3+])ccc32)cn1 ZINC000843057425 635552861 /nfs/dbraw/zinc/55/28/61/635552861.db2.gz DGTRKHJGYKVQOR-UHFFFAOYSA-N 1 0 295.430 3.234 20 10 CGCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1ccc2c(c1)COC2 ZINC000843057343 635553113 /nfs/dbraw/zinc/55/31/13/635553113.db2.gz CKNCOCQPXZJKQE-UHFFFAOYSA-N 1 0 294.398 3.128 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)c1O ZINC000843416008 635663566 /nfs/dbraw/zinc/66/35/66/635663566.db2.gz FZHAFJWBEAWIGZ-HOTGVXAUSA-N 1 0 275.392 3.092 20 10 CGCDRO Cc1nsc(C)c1C[NH2+][C@@H](C)c1ccccc1O ZINC000879650115 635826602 /nfs/dbraw/zinc/82/66/02/635826602.db2.gz JHWRVKMLTQTPBH-VIFPVBQESA-N 1 0 262.378 3.316 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H](O)[C@H](C)c1ccccc1)c1ccccc1O ZINC000879648831 635826719 /nfs/dbraw/zinc/82/67/19/635826719.db2.gz BIOCAROHMHKQAR-HBUWYVDXSA-N 1 0 285.387 3.207 20 10 CGCDRO CCc1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccccc1O ZINC000879652787 635828186 /nfs/dbraw/zinc/82/81/86/635828186.db2.gz IHKJVMXTGZYKKJ-ZDUSSCGKSA-N 1 0 298.386 3.244 20 10 CGCDRO CC[C@H]1COC(C)(C)C[N@@H+]1Cc1cc(C)cc(OC)c1O ZINC000844721202 635956620 /nfs/dbraw/zinc/95/66/20/635956620.db2.gz DPTOTXNIUBRFHH-AWEZNQCLSA-N 1 0 293.407 3.099 20 10 CGCDRO Oc1ccc2ccncc2c1C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000844755107 635959384 /nfs/dbraw/zinc/95/93/84/635959384.db2.gz ACADVBRIVMHBRP-HNNXBMFYSA-N 1 0 290.313 3.172 20 10 CGCDRO C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000844926411 635986826 /nfs/dbraw/zinc/98/68/26/635986826.db2.gz ZTCXGBWNPFBZFM-LBPRGKRZSA-N 1 0 288.366 3.102 20 10 CGCDRO CC[C@H]([NH2+]Cc1cnccc1C)c1ccccc1O ZINC000128497892 636022721 /nfs/dbraw/zinc/02/27/21/636022721.db2.gz NTIXVSBPBYXQIP-HNNXBMFYSA-N 1 0 256.349 3.337 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2C[C@@](C)(OC)C2(C)C)c1O ZINC000846143469 636149247 /nfs/dbraw/zinc/14/92/47/636149247.db2.gz CBZJEBUDHFDAGP-FABXCBLPSA-N 1 0 293.407 3.255 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CC(C)(C)OC2(C)C)c1O ZINC000846164906 636151004 /nfs/dbraw/zinc/15/10/04/636151004.db2.gz ZWYQXEIYZMVMCC-BXUZGUMPSA-N 1 0 293.407 3.398 20 10 CGCDRO CCOC[C@@H]([NH2+][C@H](C)c1cccc(OC)c1O)C(C)C ZINC000846165424 636151288 /nfs/dbraw/zinc/15/12/88/636151288.db2.gz LRYCDDKSSZDRBO-TZMCWYRMSA-N 1 0 281.396 3.113 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)c2cncc(F)c2)c1O ZINC000846166247 636151875 /nfs/dbraw/zinc/15/18/75/636151875.db2.gz UCFXMLJOBUAEMZ-WDEREUQCSA-N 1 0 290.338 3.347 20 10 CGCDRO CCSCCC[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846168599 636152231 /nfs/dbraw/zinc/15/22/31/636152231.db2.gz SZZFZPWMPVCLIN-LLVKDONJSA-N 1 0 269.410 3.195 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)c1O ZINC000846169764 636152831 /nfs/dbraw/zinc/15/28/31/636152831.db2.gz SWMSOGNBJTUKON-UZGDPCLZSA-N 1 0 261.365 3.240 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]C2CC3(CCC3)C2)c1O ZINC000846212581 636160293 /nfs/dbraw/zinc/16/02/93/636160293.db2.gz MHPGEWPNSZIVPS-LLVKDONJSA-N 1 0 261.365 3.384 20 10 CGCDRO CC(C)C[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000129617428 636322616 /nfs/dbraw/zinc/32/26/16/636322616.db2.gz SJRKOPWOYNJNDC-ZDUSSCGKSA-N 1 0 277.364 3.131 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@H]1CCCCO1 ZINC000847077121 636330068 /nfs/dbraw/zinc/33/00/68/636330068.db2.gz HIYVBPQPQRVQDO-IAGOWNOFSA-N 1 0 276.424 3.190 20 10 CGCDRO CCC[C@@H]1CCCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000213669652 636481634 /nfs/dbraw/zinc/48/16/34/636481634.db2.gz OFIKTRJCSBREEC-CYBMUJFWSA-N 1 0 277.364 3.276 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)CSC)cc1 ZINC000130734821 636505083 /nfs/dbraw/zinc/50/50/83/636505083.db2.gz FXYMIXINFRWVAS-ZDUSSCGKSA-N 1 0 266.454 3.374 20 10 CGCDRO CCC[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000131071397 636551419 /nfs/dbraw/zinc/55/14/19/636551419.db2.gz FCABHPXVKWBDDV-GJZGRUSLSA-N 1 0 276.424 3.362 20 10 CGCDRO CCC[NH2+][C@@H](C)c1cc(Br)cc(OC)c1O ZINC000848513790 636582912 /nfs/dbraw/zinc/58/29/12/636582912.db2.gz HGUHTHPJNBTHOF-QMMMGPOBSA-N 1 0 288.185 3.224 20 10 CGCDRO Cc1ncncc1[C@H](C)[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000848525972 636589341 /nfs/dbraw/zinc/58/93/41/636589341.db2.gz SRJDCMVUFOPCIK-ZDUSSCGKSA-N 1 0 296.418 3.018 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+][C@@H](C1CC1)[C@H]1CCCCO1)CC2 ZINC000848558817 636605271 /nfs/dbraw/zinc/60/52/71/636605271.db2.gz NOXLKRMYXSJSOY-KYJSFNMBSA-N 1 0 287.403 3.317 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)[C@H]1CCCCO1 ZINC000848568007 636610759 /nfs/dbraw/zinc/61/07/59/636610759.db2.gz VYLTZPNLTCUUOE-SQWLQELKSA-N 1 0 275.392 3.317 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCCN2CCCC[C@@H]12)c1ccccc1O ZINC000848568723 636611747 /nfs/dbraw/zinc/61/17/47/636611747.db2.gz PEPQALHZLOXJME-IMJJTQAJSA-N 1 0 274.408 3.060 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]CC2(C)CC(F)(F)C2)c1 ZINC000883250257 636620619 /nfs/dbraw/zinc/62/06/19/636620619.db2.gz KHXXRAQBWWMNBU-UHFFFAOYSA-N 1 0 285.334 3.316 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCc3ccc(O)cc3CC2)c1O ZINC000848883198 636672286 /nfs/dbraw/zinc/67/22/86/636672286.db2.gz KQLAYAGVSPAYEO-UHFFFAOYSA-N 1 0 297.398 3.261 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCS[C@H](C)[C@H]2C)c1O ZINC000848887299 636675093 /nfs/dbraw/zinc/67/50/93/636675093.db2.gz SFWKBQDLQJZGLK-VXGBXAGGSA-N 1 0 265.422 3.280 20 10 CGCDRO CCc1cccc(C[NH2+]Cc2cccc(COC)c2)c1O ZINC000848893697 636678712 /nfs/dbraw/zinc/67/87/12/636678712.db2.gz GKMREDWDCLRXDI-UHFFFAOYSA-N 1 0 285.387 3.391 20 10 CGCDRO CCc1cccc(C[NH2+]Cc2ccccc2COC)c1O ZINC000848893104 636679022 /nfs/dbraw/zinc/67/90/22/636679022.db2.gz PQBCPLACXUJVID-UHFFFAOYSA-N 1 0 285.387 3.391 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H](C)CC(C)(C)OC)c1O ZINC000848897126 636679673 /nfs/dbraw/zinc/67/96/73/636679673.db2.gz FHJFUKMENLLVJG-LBPRGKRZSA-N 1 0 265.397 3.248 20 10 CGCDRO CCc1cccc(C[NH2+]Cc2ccn(C(C)C)n2)c1O ZINC000848896638 636679932 /nfs/dbraw/zinc/67/99/32/636679932.db2.gz FNNWYUJXURAUSR-UHFFFAOYSA-N 1 0 273.380 3.022 20 10 CGCDRO CCc1cccc(C[NH2+]C2CCC(O)(CC)CC2)c1O ZINC000848900938 636681842 /nfs/dbraw/zinc/68/18/42/636681842.db2.gz RQQFNYLRVCDUCS-UHFFFAOYSA-N 1 0 277.408 3.128 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)c1O ZINC000848908935 636685194 /nfs/dbraw/zinc/68/51/94/636685194.db2.gz GFHQALVHTQKXIO-HZPDHXFCSA-N 1 0 275.392 3.098 20 10 CGCDRO CCc1cccc(C[NH2+][C@H](C)[C@](C)(O)c2ccccc2)c1O ZINC000848919572 636691224 /nfs/dbraw/zinc/69/12/24/636691224.db2.gz NNZLVYKBUGJHKE-KUHUBIRLSA-N 1 0 299.414 3.340 20 10 CGCDRO COc1c(C)cccc1C[NH2+]Cc1cccc(C)c1O ZINC000848923931 636695590 /nfs/dbraw/zinc/69/55/90/636695590.db2.gz SXLSXMBIQKOQFC-UHFFFAOYSA-N 1 0 271.360 3.307 20 10 CGCDRO Cc1cnc(CC[NH2+]Cc2ccc(N(C)C)cc2C)c(C)c1 ZINC000848923901 636695735 /nfs/dbraw/zinc/69/57/35/636695735.db2.gz SFQGAZYSKPJMKC-UHFFFAOYSA-N 1 0 297.446 3.405 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cccc(C)c1O)[C@@H]1CCCCO1 ZINC000848927858 636701011 /nfs/dbraw/zinc/70/10/11/636701011.db2.gz PFFUHIREXPWIBF-CABCVRRESA-N 1 0 263.381 3.138 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CCC3(CCC3)O2)cc1F ZINC000883365218 636706137 /nfs/dbraw/zinc/70/61/37/636706137.db2.gz WMQYRHIKTKDOLB-CQSZACIVSA-N 1 0 292.398 3.083 20 10 CGCDRO CC1CCC(O)(C[NH2+]Cc2cc(Cl)ccc2O)CC1 ZINC000087044798 636789530 /nfs/dbraw/zinc/78/95/30/636789530.db2.gz CXLCPXSXBJGIER-UHFFFAOYSA-N 1 0 283.799 3.076 20 10 CGCDRO Nc1ccc2c(c1)CC[C@H]2[NH2+]Cc1c(O)cccc1Cl ZINC000849352458 636817741 /nfs/dbraw/zinc/81/77/41/636817741.db2.gz LVDSNRASKLYITE-OAHLLOKOSA-N 1 0 288.778 3.405 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]Cc2cccc(N)c2)cc1 ZINC000849350523 636818075 /nfs/dbraw/zinc/81/80/75/636818075.db2.gz OZVIAMCFUHLBSI-UHFFFAOYSA-N 1 0 283.419 3.405 20 10 CGCDRO CN(C)c1ccc(C[NH2+]Cc2ccc(F)c(F)c2F)cc1 ZINC000850010382 636927082 /nfs/dbraw/zinc/92/70/82/636927082.db2.gz ANRIYXXTLPORSX-UHFFFAOYSA-N 1 0 294.320 3.460 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CC2(O)CCCCC2)cc1 ZINC000134042046 636995285 /nfs/dbraw/zinc/99/52/85/636995285.db2.gz IMAFNYJPGJONKN-HNNXBMFYSA-N 1 0 290.451 3.489 20 10 CGCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3cccc(C)c3)C2)cc1 ZINC000850345768 637021659 /nfs/dbraw/zinc/02/16/59/637021659.db2.gz JYKKLNUQKAXESI-QGZVFWFLSA-N 1 0 296.414 3.372 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3cccc(C)c3)C2)cc1 ZINC000850345767 637021840 /nfs/dbraw/zinc/02/18/40/637021840.db2.gz JYKKLNUQKAXESI-KRWDZBQOSA-N 1 0 296.414 3.372 20 10 CGCDRO COc1cccc(C[NH2+][C@@H]2Cc3ccccc3[C@@H]2C)c1O ZINC000850364028 637030441 /nfs/dbraw/zinc/03/04/41/637030441.db2.gz OXEBJXSGYIMWSN-BLLLJJGKSA-N 1 0 283.371 3.219 20 10 CGCDRO Cc1ccc(CC[NH2+]Cc2cc3c(cc2O)OCO3)cc1C ZINC000850366424 637030572 /nfs/dbraw/zinc/03/05/72/637030572.db2.gz AIYHREHADGEWIA-UHFFFAOYSA-N 1 0 299.370 3.070 20 10 CGCDRO CCOc1ccc(C[NH2+][C@H]2C[C@H](O)c3ccccc32)c(O)c1 ZINC000850371267 637034094 /nfs/dbraw/zinc/03/40/94/637034094.db2.gz ICQZKGLTHUIDSO-WMZOPIPTSA-N 1 0 299.370 3.059 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1CCN1C(C)(C)C)c1ccc(N(C)C)cc1 ZINC000850483152 637086927 /nfs/dbraw/zinc/08/69/27/637086927.db2.gz XLLSQTKEYXFLKL-PBHICJAKSA-N 1 0 289.467 3.276 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+][C@H](C(C)C)C3CC3)C2)cc1 ZINC000850487158 637087575 /nfs/dbraw/zinc/08/75/75/637087575.db2.gz GUKUTPHKICXKDH-MAUKXSAKSA-N 1 0 288.435 3.298 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](CO)C2CCC2)c1O ZINC000850487973 637087845 /nfs/dbraw/zinc/08/78/45/637087845.db2.gz KLAXUWGIPHIVCO-HZMBPMFUSA-N 1 0 283.799 3.166 20 10 CGCDRO C[C@@H]([NH2+][C@@H](CO)C1CCC1)c1ccc2ccccc2c1O ZINC000850487958 637087956 /nfs/dbraw/zinc/08/79/56/637087956.db2.gz JYBQANFREHTVDC-PXAZEXFGSA-N 1 0 285.387 3.357 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)c2cscn2)c1O ZINC000850511261 637097448 /nfs/dbraw/zinc/09/74/48/637097448.db2.gz ARVFIDLSTVPYJO-UWVGGRQHSA-N 1 0 278.377 3.269 20 10 CGCDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccccc2O)C12CCCC2 ZINC000135237917 637098143 /nfs/dbraw/zinc/09/81/43/637098143.db2.gz SURKRBXTLWYKGY-HOTGVXAUSA-N 1 0 275.392 3.220 20 10 CGCDRO CC[C@H]([NH2+]CCc1cncc(C)n1)c1ccc(N(C)C)cc1 ZINC000850548790 637117705 /nfs/dbraw/zinc/11/77/05/637117705.db2.gz AESHBWORLUYNQG-SFHVURJKSA-N 1 0 298.434 3.134 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1C(C)(C)C1(F)F)c1ccccc1O ZINC000850553526 637119233 /nfs/dbraw/zinc/11/92/33/637119233.db2.gz YFMXHMMZMQFUJZ-CABZTGNLSA-N 1 0 255.308 3.334 20 10 CGCDRO CC1(C)[C@@H](C[NH2+][C@H]2CCc3cccc(O)c32)C1(F)F ZINC000850553288 637119376 /nfs/dbraw/zinc/11/93/76/637119376.db2.gz VMECOAUSEJPYSU-CMPLNLGQSA-N 1 0 267.319 3.260 20 10 CGCDRO CCCN1CC[C@@H]([NH2+][C@H](C)c2c(C)cc(C)cc2O)C1 ZINC000850554309 637119815 /nfs/dbraw/zinc/11/98/15/637119815.db2.gz IYNIPLGLAGDFHV-HUUCEWRRSA-N 1 0 276.424 3.144 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]CCCc2ccco2)c1O ZINC000850569515 637127970 /nfs/dbraw/zinc/12/79/70/637127970.db2.gz GVQFUEJVWZPPEP-LBPRGKRZSA-N 1 0 275.348 3.277 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCOC2(C)C)c(O)c1C ZINC000850571756 637128797 /nfs/dbraw/zinc/12/87/97/637128797.db2.gz VULYOZUORGPTRK-ZIAGYGMSSA-N 1 0 277.408 3.475 20 10 CGCDRO C[C@H]([NH2+][C@H]1C[C@H](O)C1)c1ccc(N2CCCCCC2)cc1 ZINC000850579432 637130790 /nfs/dbraw/zinc/13/07/90/637130790.db2.gz WVMMIRZAGTVFRI-ZVZYQTTQSA-N 1 0 288.435 3.241 20 10 CGCDRO COc1cccc(C[NH2+][C@H]2CCc3cccc(O)c32)c1C ZINC000850579758 637130863 /nfs/dbraw/zinc/13/08/63/637130863.db2.gz ZTGYBOQYFLTBDE-HNNXBMFYSA-N 1 0 283.371 3.486 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC[C@H](OC)CC2)c1 ZINC000886153655 637438844 /nfs/dbraw/zinc/43/88/44/637438844.db2.gz MMVWLFWVJRLSKX-MJBXVCDLSA-N 1 0 293.407 3.399 20 10 CGCDRO CCCC[N@@H+](Cc1ccccc1O)C[C@H]1COC(C)(C)O1 ZINC000852018146 637573655 /nfs/dbraw/zinc/57/36/55/637573655.db2.gz KNIYFXPCPCAYDJ-HNNXBMFYSA-N 1 0 293.407 3.146 20 10 CGCDRO CCN(C)c1ccc(C[N@H+]2C[C@]3(C)COC[C@]3(C)C2)cc1 ZINC000852459370 637653960 /nfs/dbraw/zinc/65/39/60/637653960.db2.gz BYTSMDRYONQXEV-HDICACEKSA-N 1 0 288.435 3.001 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC[C@@H]2CC(C)(C)CO2)c1 ZINC000886718200 637671866 /nfs/dbraw/zinc/67/18/66/637671866.db2.gz STQNHJGJBYYWKZ-TZMCWYRMSA-N 1 0 293.407 3.257 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@H]([C@@H]3CCCO3)C2)cc1 ZINC000886818905 637706224 /nfs/dbraw/zinc/70/62/24/637706224.db2.gz LOWQOXSNNZNVHJ-AEFFLSMTSA-N 1 0 288.435 3.144 20 10 CGCDRO COCC[N@H+](CCF)Cc1cc(C(C)C)c(C)cc1O ZINC000853548463 637866776 /nfs/dbraw/zinc/86/67/76/637866776.db2.gz CYBHDQSSFZPAFQ-UHFFFAOYSA-N 1 0 283.387 3.242 20 10 CGCDRO C[C@]12COC[C@H]1C[N@H+](Cc1c(O)ccc3ccccc31)C2 ZINC000853565975 637867643 /nfs/dbraw/zinc/86/76/43/637867643.db2.gz LGJMPWCOBGGRNS-KDOFPFPSSA-N 1 0 283.371 3.014 20 10 CGCDRO Cc1cc(O)c(C[N@H+](C)CC2=CCSC2)cc1C ZINC000853618412 637874297 /nfs/dbraw/zinc/87/42/97/637874297.db2.gz DEHRWHHJZJHMIF-UHFFFAOYSA-N 1 0 263.406 3.114 20 10 CGCDRO CCOc1cccc(C[NH2+][C@H](C)C(C)(C)C)c1O ZINC000112375691 638074988 /nfs/dbraw/zinc/07/49/88/638074988.db2.gz FVEGARGQPZEWQI-LLVKDONJSA-N 1 0 251.370 3.315 20 10 CGCDRO C[C@@H]1COC[C@@H](C)C1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000924650531 638384439 /nfs/dbraw/zinc/38/44/39/638384439.db2.gz ZAMYQALEOHUIIG-HUUCEWRRSA-N 1 0 288.435 3.047 20 10 CGCDRO CC[C@@H](c1ccc(F)cc1[O-])[NH+]1CCC([NH3+])(CC)CC1 ZINC000925760386 638601493 /nfs/dbraw/zinc/60/14/93/638601493.db2.gz QHWVFVBYEWCMEC-AWEZNQCLSA-N 1 0 280.387 3.186 20 10 CGCDRO C[C@H]([NH2+]Cc1cc(N)ccn1)c1cc2c(cc1O)CCCC2 ZINC000925769112 638604683 /nfs/dbraw/zinc/60/46/83/638604683.db2.gz YIMLAMBTIAZICZ-LBPRGKRZSA-N 1 0 297.402 3.099 20 10 CGCDRO C[C@H]([NH2+]CCCSc1nccs1)[C@@H]1CCCCO1 ZINC000858365280 638694666 /nfs/dbraw/zinc/69/46/66/638694666.db2.gz MFKAQPRCXWFVGM-RYUDHWBXSA-N 1 0 286.466 3.173 20 10 CGCDRO CCOC(=O)C1=CC[C@H]([NH2+][C@H](C)c2ccc(C)cc2O)C1 ZINC000858507455 638749189 /nfs/dbraw/zinc/74/91/89/638749189.db2.gz ZKKTUIMUQJICIJ-OCCSQVGLSA-N 1 0 289.375 3.003 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CO[C@@H](C3CC3)C2)c(O)c1C ZINC000858548988 638759390 /nfs/dbraw/zinc/75/93/90/638759390.db2.gz YRBODUKXUMVQDZ-JGGQBBKZSA-N 1 0 275.392 3.227 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@H](C)C2CCSCC2)c1 ZINC000187343203 638816091 /nfs/dbraw/zinc/81/60/91/638816091.db2.gz PGERRUWYIJIOCX-LLVKDONJSA-N 1 0 281.421 3.022 20 10 CGCDRO C[C@H]([NH2+][C@@H](C1CC1)[C@H]1CCCOC1)c1cc(F)ccc1O ZINC000927069841 638837840 /nfs/dbraw/zinc/83/78/40/638837840.db2.gz NJLHVGRMIKTEKW-BNLOLNQZSA-N 1 0 293.382 3.387 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc3c2OCC3)c(O)c1 ZINC000927090102 638840261 /nfs/dbraw/zinc/84/02/61/638840261.db2.gz IFZHVQSUQRESIY-CYBMUJFWSA-N 1 0 283.371 3.486 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2cc(C3CC3)n(C)n2)c(O)c1 ZINC000927108483 638842928 /nfs/dbraw/zinc/84/29/28/638842928.db2.gz QKTLOARLTOMDQR-ZDUSSCGKSA-N 1 0 299.418 3.471 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C2([C@H]3CCCCO3)CC2)c1 ZINC000927164083 638849470 /nfs/dbraw/zinc/84/94/70/638849470.db2.gz WXFYUQJEQIYIPL-MLGOLLRUSA-N 1 0 291.391 3.153 20 10 CGCDRO C[C@@H](c1ccc(F)nc1)[N@H+](C)Cc1ccccc1O ZINC000929970807 638965713 /nfs/dbraw/zinc/96/57/13/638965713.db2.gz LBSVHOLMRIEAME-NSHDSACASA-N 1 0 260.312 3.119 20 10 CGCDRO Cc1csc(C[NH2+]Cc2ccc(N(C)C)cc2C)n1 ZINC000117386492 639326800 /nfs/dbraw/zinc/32/68/00/639326800.db2.gz DRAMRCXCJYAGKF-UHFFFAOYSA-N 1 0 275.421 3.116 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2csc(C)n2)c1 ZINC000041010360 639898520 /nfs/dbraw/zinc/89/85/20/639898520.db2.gz IYBQUSGTXRJEJQ-SECBINFHSA-N 1 0 278.377 3.017 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)c1ccccn1 ZINC000159152416 640033430 /nfs/dbraw/zinc/03/34/30/640033430.db2.gz SBGFLTWPFAGFKE-AWEZNQCLSA-N 1 0 269.392 3.307 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1CCC(C)(C)O1)c1ccc(N(C)C)cc1 ZINC000187845393 640102643 /nfs/dbraw/zinc/10/26/43/640102643.db2.gz JITIRKXGTYXKCF-XJKSGUPXSA-N 1 0 276.424 3.361 20 10 CGCDRO COc1cccc(C[NH2+]CCCCC(C)C)c1O ZINC000077418519 640237159 /nfs/dbraw/zinc/23/71/59/640237159.db2.gz FFCCVWUMYORTAR-UHFFFAOYSA-N 1 0 251.370 3.317 20 10 CGCDRO Fc1ccc(CC[NH2+]Cc2ccc3c(c2)CCO3)cc1F ZINC000190293843 640239527 /nfs/dbraw/zinc/23/95/27/640239527.db2.gz KVAJSIQPSWVQJN-UHFFFAOYSA-N 1 0 289.325 3.232 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H](C)c2nc(C)cs2)c1 ZINC000080270120 640460534 /nfs/dbraw/zinc/46/05/34/640460534.db2.gz LUDDNVDGXMKOIA-JTQLQIEISA-N 1 0 278.377 3.017 20 10 CGCDRO CC[C@H]([NH2+]CCCOC(F)F)c1ccccc1O ZINC000194031394 640507797 /nfs/dbraw/zinc/50/77/97/640507797.db2.gz ZHXSHRJOIXQPSS-NSHDSACASA-N 1 0 259.296 3.062 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](C)C(C)C)c1 ZINC000081046368 640515807 /nfs/dbraw/zinc/51/58/07/640515807.db2.gz LAOMYHZQAVELTJ-NWDGAFQWSA-N 1 0 251.370 3.344 20 10 CGCDRO C[C@@H]1CCCC[N@@H+]1CCCNCc1c(O)cccc1Cl ZINC000083551538 640596686 /nfs/dbraw/zinc/59/66/86/640596686.db2.gz DEGOQRGAULPNHT-CYBMUJFWSA-N 1 0 296.842 3.400 20 10 CGCDRO Cc1ccc(F)c(C[N@H+](C)Cc2ccccc2O)c1 ZINC000091956484 640727547 /nfs/dbraw/zinc/72/75/47/640727547.db2.gz NVXCXBYZVQPABD-UHFFFAOYSA-N 1 0 259.324 3.472 20 10 CGCDRO Cc1cc(C[N@@H+](C)Cc2ccccc2O)ccc1F ZINC000091956771 640728511 /nfs/dbraw/zinc/72/85/11/640728511.db2.gz IEELWNNYOCIVCT-UHFFFAOYSA-N 1 0 259.324 3.472 20 10 CGCDRO Oc1ccccc1C[N@H+](Cc1cc[nH]n1)C1CCCC1 ZINC000093319362 640768299 /nfs/dbraw/zinc/76/82/99/640768299.db2.gz DAOFSKQXRZTJRU-UHFFFAOYSA-N 1 0 271.364 3.060 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+](C)[C@@H](C)Cc2ccc(O)cc2)c1 ZINC000093324853 640768342 /nfs/dbraw/zinc/76/83/42/640768342.db2.gz FBLHZIQXOJTGAP-AWEZNQCLSA-N 1 0 285.387 3.469 20 10 CGCDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2cccc(OC)c2O)C1(C)C ZINC000093605314 640776319 /nfs/dbraw/zinc/77/63/19/640776319.db2.gz WKSMNGWKOIUBRE-CABCVRRESA-N 1 0 293.407 3.036 20 10 CGCDRO C[C@H]([NH2+]CCC(F)(F)F)c1cc(F)ccc1O ZINC000094618169 640799895 /nfs/dbraw/zinc/79/98/95/640799895.db2.gz HBHJMSIVJHKWKC-ZETCQYMHSA-N 1 0 251.223 3.134 20 10 CGCDRO COc1ccc(C[NH2+]CCCCC(C)C)c(O)c1 ZINC000096867509 640842345 /nfs/dbraw/zinc/84/23/45/640842345.db2.gz IPGIKJMVRXSDPD-UHFFFAOYSA-N 1 0 251.370 3.317 20 10 CGCDRO CC[C@H]([NH2+]C[C@H]1CCC[C@H](O)C1)c1ccc(N(C)C)cc1 ZINC000305145383 640883751 /nfs/dbraw/zinc/88/37/51/640883751.db2.gz NHNMYDQRLQBIPG-WBAXXEDZSA-N 1 0 290.451 3.344 20 10 CGCDRO CCCCC[C@H](O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC001253554344 806252360 /nfs/dbraw/zinc/25/23/60/806252360.db2.gz LFVDMKPHGIYKQB-YOEHRIQHSA-N 1 0 278.440 3.344 20 10 CGCDRO Cc1cc(C)c(CNc2cc(C[NH+](C)C)ccn2)c(O)c1 ZINC001160811375 806305467 /nfs/dbraw/zinc/30/54/67/806305467.db2.gz KYQQTKHJYIPBEB-UHFFFAOYSA-N 1 0 285.391 3.078 20 10 CGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2[NH2+][C@H]1CCCOC1 ZINC001254374629 806388397 /nfs/dbraw/zinc/38/83/97/806388397.db2.gz JSJBSNLBHRAHKL-GUYCJALGSA-N 1 0 289.419 3.401 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1Cc2ccccc21)c1ccccc1O ZINC000037565363 798869110 /nfs/dbraw/zinc/86/91/10/798869110.db2.gz MNOFTCVIKAADTJ-OCCSQVGLSA-N 1 0 253.345 3.383 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1Cc2ccccc2O1)c1ccccc1O ZINC000038009483 798883039 /nfs/dbraw/zinc/88/30/39/798883039.db2.gz NNBNOYGIFJXRMY-TZMCWYRMSA-N 1 0 269.344 3.047 20 10 CGCDRO C[C@@H](CC(F)(F)F)[N@@H+]1CCc2cccc(O)c2C1 ZINC001255660601 806697090 /nfs/dbraw/zinc/69/70/90/806697090.db2.gz IYRYZMKZJVWGGM-VIFPVBQESA-N 1 0 259.271 3.091 20 10 CGCDRO CN1CCCc2cc(C[NH2+]Cc3ccccc3F)ccc21 ZINC000050266801 798894719 /nfs/dbraw/zinc/89/47/19/798894719.db2.gz KZWYUATUUZHJRB-UHFFFAOYSA-N 1 0 284.378 3.498 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]C[C@]2(N(C)C)CCC[C@@H](C)C2)c1 ZINC000071408279 798916719 /nfs/dbraw/zinc/91/67/19/798916719.db2.gz KCRLPTLORONOGD-QAPCUYQASA-N 1 0 290.451 3.301 20 10 CGCDRO CCOc1cccc(C[NH2+]Cc2cc(C)ccc2O)c1 ZINC000071408013 798916996 /nfs/dbraw/zinc/91/69/96/798916996.db2.gz GEMFSEZTCMCDQQ-UHFFFAOYSA-N 1 0 271.360 3.389 20 10 CGCDRO Oc1cccc(Cl)c1CN1CCC([NH+]2CCCC2)CC1 ZINC000127743824 799015438 /nfs/dbraw/zinc/01/54/38/799015438.db2.gz NQLGBAUTTLPMBD-UHFFFAOYSA-N 1 0 294.826 3.106 20 10 CGCDRO C[C@@H]([NH2+]CC1(CO)CCC1)c1ccc2ccccc2c1O ZINC000186547278 799117610 /nfs/dbraw/zinc/11/76/10/799117610.db2.gz KNGJRXPMTLMPQB-CYBMUJFWSA-N 1 0 285.387 3.359 20 10 CGCDRO CC[C@@](C)(C[NH2+]Cc1ccc(N2CCCC2)cc1)OC ZINC000322804121 799247198 /nfs/dbraw/zinc/24/71/98/799247198.db2.gz RIERYXKLTYSFBE-KRWDZBQOSA-N 1 0 276.424 3.192 20 10 CGCDRO Cc1ccoc1C[NH2+]Cc1cc(Cl)ccc1O ZINC000380026179 799357575 /nfs/dbraw/zinc/35/75/75/799357575.db2.gz FIAMUVXELLPTNZ-UHFFFAOYSA-N 1 0 251.713 3.237 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)CN(C)C(C)C)c1 ZINC000382457518 799395992 /nfs/dbraw/zinc/39/59/92/799395992.db2.gz WHNGQDVQTRCTKI-KBPBESRZSA-N 1 0 264.413 3.080 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]CC1CC(F)(F)C1 ZINC000383239807 799401738 /nfs/dbraw/zinc/40/17/38/799401738.db2.gz IOHCDGWEEUDAFU-UHFFFAOYSA-N 1 0 261.699 3.181 20 10 CGCDRO Cc1ccc(O)c(C[N@H+](C)CC2CC(F)(F)C2)c1 ZINC000383567888 799404054 /nfs/dbraw/zinc/40/40/54/799404054.db2.gz TZFBDPKIMHZZJZ-UHFFFAOYSA-N 1 0 255.308 3.178 20 10 CGCDRO CSCC[C@H](C)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000383926650 799409507 /nfs/dbraw/zinc/40/95/07/799409507.db2.gz AZWOKBFOLWOQIY-JQWIXIFHSA-N 1 0 251.395 3.111 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1CCCC1(F)F)c1ccccc1O ZINC000390708440 799473275 /nfs/dbraw/zinc/47/32/75/799473275.db2.gz VZHBTHCQSNRSAU-GHMZBOCLSA-N 1 0 255.308 3.478 20 10 CGCDRO c1cc(N2CCCC2)ccc1C[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000397708392 799518637 /nfs/dbraw/zinc/51/86/37/799518637.db2.gz NZPWTICZQRKKKC-MUJYYYPQSA-N 1 0 256.393 3.175 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CSC[C@H]2C)c1 ZINC000397903718 799523332 /nfs/dbraw/zinc/52/33/32/799523332.db2.gz UUANWLHKCIXHMM-MDZLAQPJSA-N 1 0 251.395 3.103 20 10 CGCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](C3CC3)C2)c1O ZINC000400063236 799543374 /nfs/dbraw/zinc/54/33/74/799543374.db2.gz BTUKKJAXIVPQHN-GFCCVEGCSA-N 1 0 293.794 3.480 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCC[C@@H]2CCOC2)c(O)c1 ZINC000402029361 799560402 /nfs/dbraw/zinc/56/04/02/799560402.db2.gz HXSSYKZMQDXMLQ-ZIAGYGMSSA-N 1 0 263.381 3.168 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@@H](C)O[C@@H]2C)c(O)c1 ZINC000686508407 799735037 /nfs/dbraw/zinc/73/50/37/799735037.db2.gz AGKJANBOXLWVNU-RQJABVFESA-N 1 0 263.381 3.165 20 10 CGCDRO COc1cc(Cl)cc(C[N@@H+]2C[C@@H](OC)CC[C@H]2C)c1O ZINC000687207168 799737567 /nfs/dbraw/zinc/73/75/67/799737567.db2.gz GEIOILOXJQAYFI-MFKMUULPSA-N 1 0 299.798 3.054 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[C@H](C)O2)c(O)c1 ZINC000688880229 799756824 /nfs/dbraw/zinc/75/68/24/799756824.db2.gz UXKZGGIGAKSGHY-IHRRRGAJSA-N 1 0 263.381 3.309 20 10 CGCDRO CC[C@H]([NH2+]C[C@H]1CCC[C@@H](C)O1)c1ccccc1O ZINC000688872259 799756773 /nfs/dbraw/zinc/75/67/73/799756773.db2.gz AVVOFHDMRNUKGM-NFAWXSAZSA-N 1 0 263.381 3.391 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[C@@H](C)O2)c(O)c1 ZINC000688880231 799756845 /nfs/dbraw/zinc/75/68/45/799756845.db2.gz UXKZGGIGAKSGHY-RDBSUJKOSA-N 1 0 263.381 3.309 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCC[C@@H](C)O2)c1 ZINC000688879394 799756853 /nfs/dbraw/zinc/75/68/53/799756853.db2.gz OYKNQHSUDNGBBV-HZSPNIEDSA-N 1 0 263.381 3.309 20 10 CGCDRO Cc1ccc(CC[NH2+][C@@H](C)c2ccc(C)cc2O)nc1 ZINC000689495675 799766613 /nfs/dbraw/zinc/76/66/13/799766613.db2.gz UHUUCEIDUOTLFF-AWEZNQCLSA-N 1 0 270.376 3.297 20 10 CGCDRO CCOC1CCC([NH2+]Cc2ccc(N(C)C)cc2)CC1 ZINC000691142822 799781451 /nfs/dbraw/zinc/78/14/51/799781451.db2.gz FTMYYAYSCLJPIE-UHFFFAOYSA-N 1 0 276.424 3.190 20 10 CGCDRO CCC(C)(C)[NH2+]Cc1ccc(Br)cc1O ZINC000691397210 799784368 /nfs/dbraw/zinc/78/43/68/799784368.db2.gz XNKQRFBFYZROIH-UHFFFAOYSA-N 1 0 272.186 3.433 20 10 CGCDRO CC/C=C\C[NH2+]Cc1ccc(Br)cc1O ZINC000691479300 799785323 /nfs/dbraw/zinc/78/53/23/799785323.db2.gz YYGVTKACMXFOAL-ARJAWSKDSA-N 1 0 270.170 3.211 20 10 CGCDRO CCc1cccc(C[NH2+][C@H]2CC[C@@H](SC)C2)c1O ZINC000691501302 799785503 /nfs/dbraw/zinc/78/55/03/799785503.db2.gz VBPTYZAYALRUSD-UONOGXRCSA-N 1 0 265.422 3.328 20 10 CGCDRO CC[N@H+](Cc1ccc(Br)cc1O)C(C)C ZINC000691731143 799787255 /nfs/dbraw/zinc/78/72/55/799787255.db2.gz DAQHYEQVSQQSEE-UHFFFAOYSA-N 1 0 272.186 3.385 20 10 CGCDRO COc1ccc(C[NH2+]C[C@@H](C)c2ccccn2)cc1C ZINC000692690178 799796831 /nfs/dbraw/zinc/79/68/31/799796831.db2.gz IOATUACXUFWWPU-CQSZACIVSA-N 1 0 270.376 3.292 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCOC2(C)C)c1 ZINC000693078699 799806223 /nfs/dbraw/zinc/80/62/23/799806223.db2.gz LWPJIBTWQWQPAL-OLZOCXBDSA-N 1 0 263.381 3.166 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(C(C)(C)C)C2)c(O)c1 ZINC000693893508 799818030 /nfs/dbraw/zinc/81/80/30/799818030.db2.gz WYTPIELBBDWGOK-KBPBESRZSA-N 1 0 276.424 3.224 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]C[C@@H]1CCC[C@H]3C[C@H]31)CC2 ZINC000694350873 799821459 /nfs/dbraw/zinc/82/14/59/799821459.db2.gz UHMQJBNRYVGKGW-BYNSBNAKSA-N 1 0 257.377 3.405 20 10 CGCDRO COC[C@@H]1CCC[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC000696570671 799840668 /nfs/dbraw/zinc/84/06/68/799840668.db2.gz FTHABJSDIWSKPN-AWEZNQCLSA-N 1 0 271.360 3.156 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]C2(C3CC3)CC2)c1O ZINC000697353617 799845511 /nfs/dbraw/zinc/84/55/11/799845511.db2.gz YXQFJXCEWYCKLP-UHFFFAOYSA-N 1 0 267.756 3.086 20 10 CGCDRO C[C@@H](C[NH2+][C@H](C)c1cc(F)ccc1O)CC(F)F ZINC000697750485 799848348 /nfs/dbraw/zinc/84/83/48/799848348.db2.gz CFKFBWGSIAFVSQ-RKDXNWHRSA-N 1 0 261.287 3.473 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]CC[C@H]1CC1(F)F)CC2 ZINC000701946647 799899264 /nfs/dbraw/zinc/89/92/64/799899264.db2.gz VTAXVERPDNOJOM-WDEREUQCSA-N 1 0 253.292 3.014 20 10 CGCDRO C[C@H]([NH2+]CCC1(F)CCC1)c1cc(F)ccc1O ZINC000702439394 799909680 /nfs/dbraw/zinc/90/96/80/799909680.db2.gz HLBRFMNYAAUOIG-JTQLQIEISA-N 1 0 255.308 3.464 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCCC(F)(F)CC2)c1O ZINC000702766603 799912390 /nfs/dbraw/zinc/91/23/90/799912390.db2.gz JWEHICJDALYEFI-UHFFFAOYSA-N 1 0 255.308 3.322 20 10 CGCDRO C[C@H]([NH2+]C1CCC(C)(O)CC1)c1ccc(N(C)C)cc1 ZINC000703576377 799925586 /nfs/dbraw/zinc/92/55/86/799925586.db2.gz QGDGCJYGTFTAKL-KTAKPFMOSA-N 1 0 276.424 3.097 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CC[C@@H]2CCSC2)c(O)c1 ZINC000704789678 799940559 /nfs/dbraw/zinc/94/05/59/799940559.db2.gz HALUVCYOXICNKN-QWHCGFSZSA-N 1 0 265.422 3.494 20 10 CGCDRO C[C@H]([NH2+]CC[C@@H]1CCSC1)c1cc(F)ccc1O ZINC000704791994 799941695 /nfs/dbraw/zinc/94/16/95/799941695.db2.gz ZFHJVXIMXNTKAX-WDEREUQCSA-N 1 0 269.385 3.325 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(Br)cc1O)C1(C)CC1 ZINC000706955665 799972063 /nfs/dbraw/zinc/97/20/63/799972063.db2.gz IBOBOJHMXYEGHS-VIFPVBQESA-N 1 0 284.197 3.433 20 10 CGCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC23CCCC3)c1O ZINC000707142203 799973727 /nfs/dbraw/zinc/97/37/27/799973727.db2.gz LOJZMGKEEDJANM-UHFFFAOYSA-N 1 0 277.339 3.252 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]Cc2cccc(O)c2O)CC(C)(C)C1 ZINC000708342813 799986958 /nfs/dbraw/zinc/98/69/58/799986958.db2.gz ZDQAHVGKGDBEKU-YPMHNXCESA-N 1 0 263.381 3.402 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCC[C@@H](CF)C2)c1O ZINC000711500596 800064873 /nfs/dbraw/zinc/06/48/73/800064873.db2.gz WYGAVSHZQHLBNR-LBPRGKRZSA-N 1 0 251.345 3.136 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)cc1 ZINC001256015075 806805093 /nfs/dbraw/zinc/80/50/93/806805093.db2.gz CHVPDQCWRZPQQC-SJLPKXTDSA-N 1 0 288.435 3.144 20 10 CGCDRO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000716530124 800175055 /nfs/dbraw/zinc/17/50/55/800175055.db2.gz IITVXZPYFDESPN-BQDHKBFISA-N 1 0 257.377 3.003 20 10 CGCDRO CC(F)(F)CCCN1CCCc2cc(C[NH3+])ccc21 ZINC000718607661 800218544 /nfs/dbraw/zinc/21/85/44/800218544.db2.gz OAIWHCAZQQNZNX-UHFFFAOYSA-N 1 0 268.351 3.333 20 10 CGCDRO COCC(C)(C)CC[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000718669180 800219763 /nfs/dbraw/zinc/21/97/63/800219763.db2.gz FKXVOGNEGGGVBB-GFCCVEGCSA-N 1 0 281.396 3.114 20 10 CGCDRO COC(C)(C)[C@H](C)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000720245184 800255246 /nfs/dbraw/zinc/25/52/46/800255246.db2.gz CLYLMAWZAUIRKM-AWEZNQCLSA-N 1 0 276.424 3.190 20 10 CGCDRO CC[C@H]([NH2+]Cc1cc(Cl)ccc1O)[C@H]1CCCOC1 ZINC000723951969 800345135 /nfs/dbraw/zinc/34/51/35/800345135.db2.gz PYWPPGNAERDBLY-FZMZJTMJSA-N 1 0 283.799 3.340 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](CCO)C2CCCC2)c1 ZINC000725070901 800371003 /nfs/dbraw/zinc/37/10/03/800371003.db2.gz OAHGLKZMMKGOKW-XJKSGUPXSA-N 1 0 277.408 3.292 20 10 CGCDRO C[C@@H]([NH2+][C@H](CCO)C1CCCC1)c1cc(F)ccc1O ZINC000725086548 800372256 /nfs/dbraw/zinc/37/22/56/800372256.db2.gz UHCRUQKFFZLQIC-IAQYHMDHSA-N 1 0 281.371 3.123 20 10 CGCDRO CCC(O)(CC)CC[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000788275843 800389833 /nfs/dbraw/zinc/38/98/33/800389833.db2.gz XXKBKFQCCRJWAR-UHFFFAOYSA-N 1 0 285.815 3.385 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H](c2ccccn2)C2CC2)c1 ZINC000922586435 800619182 /nfs/dbraw/zinc/61/91/82/800619182.db2.gz MOTGYEDGGHZTJE-QGZVFWFLSA-N 1 0 268.360 3.337 20 10 CGCDRO Cc1cc(C)c(C[NH2+][C@@H](C)Cc2ccncc2)c(O)c1 ZINC001256727782 806960262 /nfs/dbraw/zinc/96/02/62/806960262.db2.gz DYNSZMZZYOIBSV-AWEZNQCLSA-N 1 0 270.376 3.125 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCCC[C@@H]1N(C)C)c1ccc(N(C)C)cc1 ZINC001116296479 802328299 /nfs/dbraw/zinc/32/82/99/802328299.db2.gz ULMTXSOBNSXNPO-WBAXXEDZSA-N 1 0 289.467 3.276 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C[C@H](C1CC1)N(C)C ZINC001116565883 802379029 /nfs/dbraw/zinc/37/90/29/802379029.db2.gz ZKVNCFGOPGZKED-BPLDGKMQSA-N 1 0 288.435 3.179 20 10 CGCDRO CC[N@H+](CCSC)Cc1ccc(N2CCCC2)cc1 ZINC001118200109 802537788 /nfs/dbraw/zinc/53/77/88/802537788.db2.gz ZDVMUTFKWBXTEX-UHFFFAOYSA-N 1 0 278.465 3.472 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C2CC3(CC3(F)F)C2)cc1 ZINC001118565540 802584884 /nfs/dbraw/zinc/58/48/84/802584884.db2.gz NHQMLOYHOVVGIR-UHFFFAOYSA-N 1 0 266.335 3.030 20 10 CGCDRO C(=C/C1CC[NH2+]CC1)\c1cc2c3c(c1)CCCN3CCC2 ZINC001243896008 803065736 /nfs/dbraw/zinc/06/57/36/803065736.db2.gz KGWNIDNAWNNEES-AATRIKPKSA-N 1 0 282.431 3.398 20 10 CGCDRO c1c(C2=C[NH2+]CCC2)cc2c3c1CCCN3CCC2 ZINC001243950907 803096657 /nfs/dbraw/zinc/09/66/57/803096657.db2.gz QCEJNJXYXFIVEE-UHFFFAOYSA-N 1 0 254.377 3.110 20 10 CGCDRO Cc1cc(C[N@H+](C)CC2COC2)c(C)n1-c1ccccc1 ZINC001137858000 803786719 /nfs/dbraw/zinc/78/67/19/803786719.db2.gz SDOZGONSIBSLJN-UHFFFAOYSA-N 1 0 284.403 3.172 20 10 CGCDRO CC(=O)[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC001138220657 803873964 /nfs/dbraw/zinc/87/39/64/803873964.db2.gz LBKLVFDDSCHGCA-QGZVFWFLSA-N 1 0 286.419 3.088 20 10 CGCDRO COC[C@@H]1CCCC[N@@H+]1Cc1c(C)n(C)c2ccccc21 ZINC001138252343 803879584 /nfs/dbraw/zinc/87/95/84/803879584.db2.gz CUZFYCJFILCWEW-HNNXBMFYSA-N 1 0 286.419 3.488 20 10 CGCDRO Cc1c(C[N@H+]2C[C@H](CO)CC[C@@H]2C)c2ccccc2n1C ZINC001138252673 803881491 /nfs/dbraw/zinc/88/14/91/803881491.db2.gz PQYSPEKSZKSYKG-DZGCQCFKSA-N 1 0 286.419 3.080 20 10 CGCDRO CCCC[N@H+](C)Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138336058 803899514 /nfs/dbraw/zinc/89/95/14/803899514.db2.gz JAXIHHAYTUNPME-UHFFFAOYSA-N 1 0 288.435 3.323 20 10 CGCDRO CN1CCCc2cc(C[N@@H+]3CCC[C@](C)(F)C3)ccc21 ZINC001138354715 803901170 /nfs/dbraw/zinc/90/11/70/803901170.db2.gz RHWKJYJJKRVGBP-KRWDZBQOSA-N 1 0 276.399 3.393 20 10 CGCDRO CC[N@H+](Cc1ccc2c(c1)CCCN2C)C1CCOCC1 ZINC001138357757 803903129 /nfs/dbraw/zinc/90/31/29/803903129.db2.gz JHYBJNVWXKASQR-UHFFFAOYSA-N 1 0 288.435 3.070 20 10 CGCDRO CO[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCCN3C)[C@H](C)C1 ZINC001138360140 803903317 /nfs/dbraw/zinc/90/33/17/803903317.db2.gz NQHRBFXSNJUPNH-RHSMWYFYSA-N 1 0 288.435 3.068 20 10 CGCDRO CCN(CC)c1ccc(C[NH+]2CC(C)(C)C2)c(OC)c1 ZINC001138387710 803912398 /nfs/dbraw/zinc/91/23/98/803912398.db2.gz IVBSYIDHFLQGNJ-UHFFFAOYSA-N 1 0 276.424 3.383 20 10 CGCDRO Nc1ccc(C[NH2+][C@@H]2CCc3c(F)cc(F)cc3C2)cc1 ZINC001246168455 804182249 /nfs/dbraw/zinc/18/22/49/804182249.db2.gz DKLGKCYCCCGNPY-OAHLLOKOSA-N 1 0 288.341 3.194 20 10 CGCDRO Cc1cc(C[N@H+]2C[C@H]3[C@H](CC3(F)F)C2)ccc1N(C)C ZINC001139670382 804247405 /nfs/dbraw/zinc/24/74/05/804247405.db2.gz LTRYLTBADONHOX-KGLIPLIRSA-N 1 0 280.362 3.148 20 10 CGCDRO CC[N@H+](Cc1cccnc1)Cc1ccc(N(C)C)c(C)c1 ZINC001139673585 804248276 /nfs/dbraw/zinc/24/82/76/804248276.db2.gz UWTIWUTWNRWKDK-UHFFFAOYSA-N 1 0 283.419 3.478 20 10 CGCDRO COCc1ccc(C[N@@H+]2CCc3cccc(O)c3C2)s1 ZINC001139831370 804294351 /nfs/dbraw/zinc/29/43/51/804294351.db2.gz NIGYCBKTPLAKMG-UHFFFAOYSA-N 1 0 289.400 3.158 20 10 CGCDRO O=C1CCC2(CC1)CC[NH+](Cc1cc(F)ccc1O)CC2 ZINC001140060211 804365944 /nfs/dbraw/zinc/36/59/44/804365944.db2.gz PLDPXLSAZBKIFG-UHFFFAOYSA-N 1 0 291.366 3.257 20 10 CGCDRO O=C(c1ccccc1)[C@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC001140060127 804366358 /nfs/dbraw/zinc/36/63/58/804366358.db2.gz LSWRSJCDOWAFKH-AWEZNQCLSA-N 1 0 299.345 3.236 20 10 CGCDRO Cc1ccc(C)c(C[N@@H+]2CCc3cc(O)ccc3C2)c1O ZINC001140181734 804396905 /nfs/dbraw/zinc/39/69/05/804396905.db2.gz WBFVEJAEOSTOJS-UHFFFAOYSA-N 1 0 283.371 3.273 20 10 CGCDRO Cc1ccc(C[N@@H+](C)Cc2ccc(Cl)cc2O)cn1 ZINC001140464597 804441095 /nfs/dbraw/zinc/44/10/95/804441095.db2.gz WOSOAJVQNKMVGQ-UHFFFAOYSA-N 1 0 276.767 3.381 20 10 CGCDRO CC[N@H+](Cc1cccnc1)Cc1ccc(Cl)cc1O ZINC001140466196 804443132 /nfs/dbraw/zinc/44/31/32/804443132.db2.gz ATHIMUMDPRCTPX-UHFFFAOYSA-N 1 0 276.767 3.463 20 10 CGCDRO Oc1cc(Cl)ccc1C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC001140464889 804443763 /nfs/dbraw/zinc/44/37/63/804443763.db2.gz FDZDLWGMZSLXFI-HNNXBMFYSA-N 1 0 281.783 3.048 20 10 CGCDRO CC[N@H+](CCN1CCCCC1)Cc1cc(C)ccc1O ZINC001140622973 804477035 /nfs/dbraw/zinc/47/70/35/804477035.db2.gz JJFWCPCZGXHBQG-UHFFFAOYSA-N 1 0 276.424 3.008 20 10 CGCDRO Cc1ccc(O)c(C[N@H+]2C[C@H]3[C@H](CCC3(F)F)C2)c1 ZINC001140619907 804477055 /nfs/dbraw/zinc/47/70/55/804477055.db2.gz UPVUVFYGAVJOGL-YPMHNXCESA-N 1 0 267.319 3.178 20 10 CGCDRO Cc1ccc(O)c(C[N@H+]2CCC(=O)[C@H](C)C23CCCC3)c1 ZINC001140624157 804477780 /nfs/dbraw/zinc/47/77/80/804477780.db2.gz IXTOXXDVFMHLSW-AWEZNQCLSA-N 1 0 287.403 3.424 20 10 CGCDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@H]2Cc2ccccn2)c1O ZINC001140745952 804503655 /nfs/dbraw/zinc/50/36/55/804503655.db2.gz QSPQCRHXMKBGEP-INIZCTEOSA-N 1 0 298.386 3.008 20 10 CGCDRO Cc1c(O)ccc(C[NH+]2CC3CCC(CC3)C2)c1O ZINC001140748151 804505221 /nfs/dbraw/zinc/50/52/21/804505221.db2.gz SJUOOONUWVLKCP-UHFFFAOYSA-N 1 0 261.365 3.028 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)CC2CCC2)c(O)c1 ZINC001140855264 804533422 /nfs/dbraw/zinc/53/34/22/804533422.db2.gz UQSPAKZHSOIVFY-UHFFFAOYSA-N 1 0 276.424 3.470 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2C(C)(C)O)c(Cl)c1 ZINC001140925135 804550813 /nfs/dbraw/zinc/55/08/13/804550813.db2.gz OMBMOUAKKLFOER-OAHLLOKOSA-N 1 0 296.842 3.141 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCOC[C@H]2Cc2ccccc2)c(O)c1 ZINC001140954030 804558623 /nfs/dbraw/zinc/55/86/23/804558623.db2.gz JPTZUDZIPLIFMU-GOSISDBHSA-N 1 0 297.398 3.144 20 10 CGCDRO COc1cc(O)c(C[NH+]2CCC3(CCC3)CC2)c(OC)c1 ZINC001141026421 804573397 /nfs/dbraw/zinc/57/33/97/804573397.db2.gz PKENDAMMCBFFDA-UHFFFAOYSA-N 1 0 291.391 3.176 20 10 CGCDRO FC[C@H]1CCC[N@@H+]1Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141078784 804585749 /nfs/dbraw/zinc/58/57/49/804585749.db2.gz IWJZPVIMNLJHCA-QGZVFWFLSA-N 1 0 288.410 3.319 20 10 CGCDRO C[C@H]1c2ccccc2CC[N@H+]1Cc1cc(O)ccc1O ZINC001141156057 804600428 /nfs/dbraw/zinc/60/04/28/804600428.db2.gz DPVIQIAIPGCUQK-LBPRGKRZSA-N 1 0 269.344 3.217 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCc3cccc(O)c3C2)c(F)c1 ZINC001141195424 804607572 /nfs/dbraw/zinc/60/75/72/804607572.db2.gz NKVXCBRNFPMFAQ-UHFFFAOYSA-N 1 0 271.335 3.398 20 10 CGCDRO CN(Cc1ccon1)Cc1cccc(C(C)(C)C)c1O ZINC001143112277 804804198 /nfs/dbraw/zinc/80/41/98/804804198.db2.gz NYZMRAPMKJRLDM-UHFFFAOYSA-N 1 0 274.364 3.310 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CCc3cccc(O)c3C2)c1 ZINC001143160259 804812006 /nfs/dbraw/zinc/81/20/06/804812006.db2.gz MQKJXEZAKMQZST-UHFFFAOYSA-N 1 0 283.371 3.268 20 10 CGCDRO Cc1nc(C[N@@H+](C)Cc2ccccc2O)ccc1Cl ZINC001248876792 805026605 /nfs/dbraw/zinc/02/66/05/805026605.db2.gz SUPLRPUCNCSFMD-UHFFFAOYSA-N 1 0 276.767 3.381 20 10 CGCDRO C[NH+]1CCN(Cc2cc(Cl)c(C(C)(C)C)cc2O)CC1 ZINC001248879493 805029500 /nfs/dbraw/zinc/02/95/00/805029500.db2.gz AJDPLVWNXUGLSF-UHFFFAOYSA-N 1 0 296.842 3.091 20 10 CGCDRO Oc1cc2ccccc2cc1C[NH2+][C@H]1C[C@H]2C[C@H]2C1 ZINC001167908458 807271580 /nfs/dbraw/zinc/27/15/80/807271580.db2.gz DURNLBKSURLHPT-FOLVSLTJSA-N 1 0 253.345 3.434 20 10 CGCDRO C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001168128455 807315937 /nfs/dbraw/zinc/31/59/37/807315937.db2.gz QQJHGKPDPQCXTR-QAPCUYQASA-N 1 0 288.435 3.286 20 10 CGCDRO Oc1ccc(C[NH2+][C@H]2Cc3cccc(Cl)c3C2)cc1O ZINC001168702382 807489614 /nfs/dbraw/zinc/48/96/14/807489614.db2.gz UBOHCZBWSVSIGD-LBPRGKRZSA-N 1 0 289.762 3.008 20 10 CGCDRO CC[C@@H](C)C[C@@H](CC)[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC001258781855 807608698 /nfs/dbraw/zinc/60/86/98/807608698.db2.gz GQWNFZHUEJQBEL-DGCLKSJQSA-N 1 0 279.380 3.085 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCC[C@H](F)C2)c1O ZINC001261515792 807754808 /nfs/dbraw/zinc/75/48/08/807754808.db2.gz UJYIXBTZLKULIO-SDDRHHMPSA-N 1 0 267.344 3.332 20 10 CGCDRO CC1(C)[C@@H]2C[C@@H]([NH2+]Cc3ccc4c(c3)CCO4)C[C@@H]21 ZINC001170721072 807884675 /nfs/dbraw/zinc/88/46/75/807884675.db2.gz QVVGKRSWEPBENW-QKDCVEJESA-N 1 0 257.377 3.146 20 10 CGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)[C@H]1CCCOCC1 ZINC001170835448 807922122 /nfs/dbraw/zinc/92/21/22/807922122.db2.gz TYDHSRCGNNQGTD-KRWDZBQOSA-N 1 0 276.424 3.144 20 10 CGCDRO Cc1cc(C)c(C[NH2+][C@H](C)CCOC(C)C)c(O)c1 ZINC001172440763 808315599 /nfs/dbraw/zinc/31/55/99/808315599.db2.gz JSRSIIKQMDXKLU-CQSZACIVSA-N 1 0 265.397 3.302 20 10 CGCDRO CC(C)OCC[C@@H](C)[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC001172453261 808325291 /nfs/dbraw/zinc/32/52/91/808325291.db2.gz GBWGXLRLUSORTB-OAHLLOKOSA-N 1 0 278.440 3.388 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](C)CCC(=O)OC(C)C)cc1C ZINC001172744794 808427575 /nfs/dbraw/zinc/42/75/75/808427575.db2.gz FKHCSZDJDYBDIL-AWEZNQCLSA-N 1 0 293.407 3.214 20 10 CGCDRO CO[C@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC001172923141 808482447 /nfs/dbraw/zinc/48/24/47/808482447.db2.gz MCUDNXUWCBQRPM-QRTARXTBSA-N 1 0 276.424 3.361 20 10 CGCDRO Cc1cc(Nc2c(O)cccc2Br)cc(C)[nH+]1 ZINC001176055633 809610929 /nfs/dbraw/zinc/61/09/29/809610929.db2.gz JPEVFWHWWUJIQY-UHFFFAOYSA-N 1 0 293.164 3.332 20 10 CGCDRO COCCC(C)(C)C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC001178454128 809868327 /nfs/dbraw/zinc/86/83/27/809868327.db2.gz BIKAAJLCDDCYFV-UHFFFAOYSA-N 1 0 282.403 3.044 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CC(C)(C)C2CC2)cc1F ZINC001179681275 809936129 /nfs/dbraw/zinc/93/61/29/809936129.db2.gz JNUAXUDNGQMKQH-UHFFFAOYSA-N 1 0 264.388 3.418 20 10 CGCDRO C[C@@H]1CC[C@@H]([NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC001179756213 809942427 /nfs/dbraw/zinc/94/24/27/809942427.db2.gz YVSBMADBFRDKIF-QGPMSJSTSA-N 1 0 289.467 3.134 20 10 CGCDRO CCc1cccc(C[NH2+][C@H](C(C)C)[C@H](CO)C(C)C)c1O ZINC001181891528 810081512 /nfs/dbraw/zinc/08/15/12/810081512.db2.gz AXFIRPZQHKGZLL-IAGOWNOFSA-N 1 0 293.451 3.333 20 10 CGCDRO CO[C@H]1C[C@@H](C[NH2+]Cc2cc(C(C)C)ccc2O)C1 ZINC001183197269 810139792 /nfs/dbraw/zinc/13/97/92/810139792.db2.gz RFZYPRRCTRCGNZ-JNSHFYNHSA-N 1 0 263.381 3.030 20 10 CGCDRO CC[C@]1(O)CCC[N@H+](Cc2cc(C(C)C)ccc2O)C1 ZINC001183279805 810143904 /nfs/dbraw/zinc/14/39/04/810143904.db2.gz DPCHAZRGGPVKRB-KRWDZBQOSA-N 1 0 277.408 3.253 20 10 CGCDRO COc1cc(C[NH2+]C[C@H]2C[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC001199275260 811568558 /nfs/dbraw/zinc/56/85/58/811568558.db2.gz GWRHQMQTJWKNCT-VXGBXAGGSA-N 1 0 277.408 3.444 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CCCC[C@@H]2CCOC)c1O ZINC001203609411 812405539 /nfs/dbraw/zinc/40/55/39/812405539.db2.gz RFOUMQNDAADCHL-OAHLLOKOSA-N 1 0 293.407 3.182 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH+]1CCC2(CC2)CC1 ZINC001203651211 812415645 /nfs/dbraw/zinc/41/56/45/812415645.db2.gz KTWNJFCIERAJHX-UHFFFAOYSA-N 1 0 251.757 3.422 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@](C)(F)CC2)cc1 ZINC001203930503 812495031 /nfs/dbraw/zinc/49/50/31/812495031.db2.gz WIEQSXPDZYLTGV-INIZCTEOSA-N 1 0 264.388 3.467 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](C(F)F)C2)cc1 ZINC001203933653 812496530 /nfs/dbraw/zinc/49/65/30/812496530.db2.gz DIKRFERPMKIUGX-CYBMUJFWSA-N 1 0 268.351 3.230 20 10 CGCDRO Cc1c[nH]c(=O)c(C[NH2+]Cc2c(O)cc(C)cc2Cl)c1 ZINC001203944945 812498975 /nfs/dbraw/zinc/49/89/75/812498975.db2.gz REAFVDLPEQBIBK-UHFFFAOYSA-N 1 0 292.766 3.053 20 10 CGCDRO c1cc(N2CCCC2)ccc1C[N@@H+]1CCC[C@@]12CCOC2 ZINC001204321191 812612751 /nfs/dbraw/zinc/61/27/51/812612751.db2.gz HOYDXDBXUBWFBR-SFHVURJKSA-N 1 0 286.419 3.042 20 10 CGCDRO COC1(C)CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204326500 812614448 /nfs/dbraw/zinc/61/44/48/812614448.db2.gz YMNYAUYZLIEHRI-UHFFFAOYSA-N 1 0 288.435 3.288 20 10 CGCDRO CCO[C@@H]1CCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204326338 812614595 /nfs/dbraw/zinc/61/45/95/812614595.db2.gz GBFFRCFYMBLGAY-GOSISDBHSA-N 1 0 288.435 3.288 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CCC[C@@H](C)CC2)c(O)c1 ZINC001204496452 812656161 /nfs/dbraw/zinc/65/61/61/812656161.db2.gz HXCLPHDJAYCWSA-GFCCVEGCSA-N 1 0 263.381 3.331 20 10 CGCDRO Cc1ccc(C[N@H+]2CCN(C)c3ccccc3C2)c(O)c1 ZINC001204789625 812736587 /nfs/dbraw/zinc/73/65/87/812736587.db2.gz CPUHJCZLQOLOCY-UHFFFAOYSA-N 1 0 282.387 3.153 20 10 CGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CCC[C@@H]2C(C)(C)O)c1 ZINC001205311799 812946187 /nfs/dbraw/zinc/94/61/87/812946187.db2.gz JMWLRLZNKSBDKT-MRXNPFEDSA-N 1 0 277.408 3.251 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+][C@H]2Cc3cccc(O)c3C2)c1 ZINC001205407153 812979674 /nfs/dbraw/zinc/97/96/74/812979674.db2.gz YZYZYPDUEPTZRC-INIZCTEOSA-N 1 0 297.398 3.478 20 10 CGCDRO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1c(C)cc(OC)cc1O ZINC001205489285 812990930 /nfs/dbraw/zinc/99/09/30/812990930.db2.gz NGJMHKQEIMSSGA-ABAIWWIYSA-N 1 0 263.381 3.330 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+][C@H]2CCC[C@H]2CCO)c1 ZINC001205492761 812991724 /nfs/dbraw/zinc/99/17/24/812991724.db2.gz NFAAUPNOACBOOX-BBRMVZONSA-N 1 0 277.408 3.156 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+]C[C@H]2CCCC[C@@H]2O)c1 ZINC001205813240 813090340 /nfs/dbraw/zinc/09/03/40/813090340.db2.gz UPLRRDXNHXUQHB-ZBFHGGJFSA-N 1 0 277.408 3.156 20 10 CGCDRO COc1cc(C)c(C[NH+]2CC(C)(CC(F)F)C2)c(O)c1 ZINC001206421374 813318846 /nfs/dbraw/zinc/31/88/46/813318846.db2.gz ZZPCKVRIXTZIRO-UHFFFAOYSA-N 1 0 285.334 3.186 20 10 CGCDRO COc1cc(C)c(C[NH2+]C[C@]2(C)C[C@H]3C[C@H]3C2)c(O)c1 ZINC001207059423 813476471 /nfs/dbraw/zinc/47/64/71/813476471.db2.gz WGPKZDQJZOBKCN-FVCICTRLSA-N 1 0 275.392 3.235 20 10 CGCDRO Cc1cc(O)c(CN2CC[N@H+](C)[C@@H](C(C)C)C2)c(Cl)c1 ZINC001207195631 813514163 /nfs/dbraw/zinc/51/41/63/813514163.db2.gz CBMVCCUSVZWSJV-OAHLLOKOSA-N 1 0 296.842 3.126 20 10 CGCDRO Cc1ccnc(C[NH2+]Cc2cc(Cl)c(C)cc2O)c1 ZINC001207380279 813555309 /nfs/dbraw/zinc/55/53/09/813555309.db2.gz ATLKQFZKDRKZRX-UHFFFAOYSA-N 1 0 276.767 3.347 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](CCO)C1CCCC1 ZINC001207676218 813632390 /nfs/dbraw/zinc/63/23/90/813632390.db2.gz XKJDKUBRLYTVQK-SFHVURJKSA-N 1 0 290.451 3.092 20 10 CGCDRO COc1ccc2c(c1)c1c(n2C)CC[N@@H+](CCC2CC2)C1 ZINC001208684451 813795185 /nfs/dbraw/zinc/79/51/85/813795185.db2.gz BDYZLSQWUBBUHK-UHFFFAOYSA-N 1 0 284.403 3.345 20 10 CGCDRO CC[N@H+](Cc1cn2cccc(C)c2n1)Cc1ccccc1O ZINC001209741000 814127656 /nfs/dbraw/zinc/12/76/56/814127656.db2.gz IFMHQIWDEFEHRS-UHFFFAOYSA-N 1 0 295.386 3.370 20 10 CGCDRO [NH3+]C1(c2nnc(-c3ccc(-n4cccc4)cc3)o2)CCCC1 ZINC001217695884 815939829 /nfs/dbraw/zinc/93/98/29/815939829.db2.gz XBRPSWIJTMRPDU-UHFFFAOYSA-N 1 0 294.358 3.255 20 10 CGCDRO C[N@@H+]1CC[C@H](OC2=CC(=O)C=CC2=NNc2ccccn2)C1 ZINC001227487792 817660392 /nfs/dbraw/zinc/66/03/92/817660392.db2.gz ZPSDZEWOTDVODV-HVCBDAARSA-N 1 0 298.346 3.286 20 10 CGCDRO C[N@H+](CCC[NH+]1CCCC1)Cc1c(O)ccc2ccccc21 ZINC001231590280 818129252 /nfs/dbraw/zinc/12/92/52/818129252.db2.gz QAXOWBXXSWCBAC-UHFFFAOYSA-N 1 0 298.430 3.463 20 10 CGCDRO Oc1ccc2ccccc2c1C[NH+]1CC2(C1)CCCOC2 ZINC001231587246 818130304 /nfs/dbraw/zinc/13/03/04/818130304.db2.gz RRALGURSODHKIE-UHFFFAOYSA-N 1 0 283.371 3.158 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCC[C@H](Oc3cccnc3)C2)c1O ZINC001231592509 818131518 /nfs/dbraw/zinc/13/15/18/818131518.db2.gz NJNIUDJIQUOHOY-KRWDZBQOSA-N 1 0 298.386 3.139 20 10 CGCDRO Cc1cccc(C[N@@H+]2CC[C@H](F)C(F)(F)CC2)c1O ZINC001231591155 818131943 /nfs/dbraw/zinc/13/19/43/818131943.db2.gz UPUYEEYWMZTLFR-LBPRGKRZSA-N 1 0 273.298 3.270 20 10 CGCDRO COc1cc(C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)c(O)cc1O ZINC001231636327 818143826 /nfs/dbraw/zinc/14/38/26/818143826.db2.gz SOHCQAOGQYJIEA-OCCSQVGLSA-N 1 0 291.391 3.261 20 10 CGCDRO CCCC[N@H+](CC)Cc1ccc(N(C)C)cc1OC ZINC001231849252 818189456 /nfs/dbraw/zinc/18/94/56/818189456.db2.gz QDVJMLOQSBOLBV-UHFFFAOYSA-N 1 0 264.413 3.383 20 10 CGCDRO Cc1ncc(C[N@@H+](C)Cc2ccc3ccccc3c2O)cn1 ZINC001231882029 818199872 /nfs/dbraw/zinc/19/98/72/818199872.db2.gz DQVSXYLBTRZNFF-UHFFFAOYSA-N 1 0 293.370 3.276 20 10 CGCDRO CC[N@H+](Cc1cc2ncccc2[nH]1)Cc1ccccc1O ZINC001232065659 818242880 /nfs/dbraw/zinc/24/28/80/818242880.db2.gz DZCBMPYKAUPJPW-UHFFFAOYSA-N 1 0 281.359 3.291 20 10 CGCDRO C[C@]1(F)CCC[N@H+](Cc2cc(Cl)c(O)cc2O)CC1 ZINC001232261181 818295576 /nfs/dbraw/zinc/29/55/76/818295576.db2.gz WGZJWVPENHWORX-AWEZNQCLSA-N 1 0 287.762 3.465 20 10 CGCDRO CCC[NH+](CCC)Cc1ccc(N(C)C)cc1O ZINC001232835190 818451426 /nfs/dbraw/zinc/45/14/26/818451426.db2.gz ZCUJITPZEZIHIT-UHFFFAOYSA-N 1 0 250.386 3.080 20 10 CGCDRO CC(=O)C1CC[NH+](Cc2cc(C(C)(C)C)ccc2O)CC1 ZINC001233286385 818567603 /nfs/dbraw/zinc/56/76/03/818567603.db2.gz RMMIAUCVNUDMOL-UHFFFAOYSA-N 1 0 289.419 3.491 20 10 CGCDRO COc1cc(Cl)cc(C[N@H+](CC2CC2)C2CC2)c1O ZINC001233290412 818570220 /nfs/dbraw/zinc/57/02/20/818570220.db2.gz AXSPXFHUPJTKPN-UHFFFAOYSA-N 1 0 281.783 3.429 20 10 CGCDRO [O-]c1ccc(F)c(F)c1C[N@H+](C1CCC1)C1CCOCC1 ZINC001233336364 818588037 /nfs/dbraw/zinc/58/80/37/818588037.db2.gz JJMGQHCCRNIFBE-UHFFFAOYSA-N 1 0 297.345 3.204 20 10 CGCDRO C[N@H+](Cc1ccc(C(F)(F)F)cc1O)[C@H]1CCCOC1 ZINC001233455474 818622806 /nfs/dbraw/zinc/62/28/06/818622806.db2.gz MFKMNTSIANRZRN-LBPRGKRZSA-N 1 0 289.297 3.022 20 10 CGCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@@H](c3ccccc3)C2)cc1O ZINC001233484932 818624983 /nfs/dbraw/zinc/62/49/83/818624983.db2.gz CKFNEEZAMPXVLJ-CQSZACIVSA-N 1 0 299.370 3.183 20 10 CGCDRO Cc1nc(C)c(C[N@@H+](C)Cc2ccc(N3CCCC3)cc2)[nH]1 ZINC001234635660 818897502 /nfs/dbraw/zinc/89/75/02/818897502.db2.gz NMLYJTIAIRLZST-UHFFFAOYSA-N 1 0 298.434 3.259 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(CN2CC[NH2+]CC23CC3)cc1 ZINC001234976993 818967845 /nfs/dbraw/zinc/96/78/45/818967845.db2.gz VKSXSXROTWSAAU-UHFFFAOYSA-N 1 0 295.430 3.032 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2cccc(-c3ccccc3)c2O)C[C@H]1O ZINC001235000917 818974932 /nfs/dbraw/zinc/97/49/32/818974932.db2.gz KXUILUPNMLIIHF-RDTXWAMCSA-N 1 0 297.398 3.262 20 10 CGCDRO Cc1c(CN2CCCC[C@@]23CC[NH2+]C3)c2ccccc2n1C ZINC001235117073 819009934 /nfs/dbraw/zinc/00/99/34/819009934.db2.gz OXKFSJFGLGTFGT-IBGZPJMESA-N 1 0 297.446 3.205 20 10 CGCDRO Cc1c(CN2CCCC[C@]23CC[NH2+]C3)c2ccccc2n1C ZINC001235117117 819010633 /nfs/dbraw/zinc/01/06/33/819010633.db2.gz OXKFSJFGLGTFGT-LJQANCHMSA-N 1 0 297.446 3.205 20 10 CGCDRO CN(C)c1ccc(CN(C)[C@@H]2CCC[NH2+]C2)c2ccccc21 ZINC001235342059 819072380 /nfs/dbraw/zinc/07/23/80/819072380.db2.gz HIOHHPIXQNLGRX-MRXNPFEDSA-N 1 0 297.446 3.090 20 10 CGCDRO C[C@H]1CC[C@H](CO)C[N@@H+]1Cc1ccc(C(C)(C)C)cc1O ZINC001235676043 819136199 /nfs/dbraw/zinc/13/61/99/819136199.db2.gz OEWWALBZVOJAFP-KBPBESRZSA-N 1 0 291.435 3.283 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2ccc(C(C)(C)C)cc2O)CC[C@@H]1O ZINC001235675884 819136863 /nfs/dbraw/zinc/13/68/63/819136863.db2.gz LOIAZIKAQPBSJI-CJNGLKHVSA-N 1 0 291.435 3.283 20 10 CGCDRO Nc1ccc(C[N@@H+]2CCC[C@H](Oc3ccccc3)C2)cc1 ZINC001235689698 819141571 /nfs/dbraw/zinc/14/15/71/819141571.db2.gz BJXQKLJXHFXABN-SFHVURJKSA-N 1 0 282.387 3.312 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(CN2CC[NH2+]C3(CC3)C2)cc1 ZINC001235932391 819229518 /nfs/dbraw/zinc/22/95/18/819229518.db2.gz JFGPFKLNURXFPK-UHFFFAOYSA-N 1 0 295.430 3.032 20 10 CGCDRO CCN(Cc1ccc(C(C)(C)C)cc1O)[C@@H]1CCC[NH2+]C1 ZINC001236009013 819271957 /nfs/dbraw/zinc/27/19/57/819271957.db2.gz KMSUFEUAQCRVAL-MRXNPFEDSA-N 1 0 290.451 3.264 20 10 CGCDRO Cc1cc(CN(C2CC2)C2C[NH2+]C2)c(C)n1-c1ccccc1 ZINC001236062489 819294810 /nfs/dbraw/zinc/29/48/10/819294810.db2.gz GLFSZJDWMNZGQA-UHFFFAOYSA-N 1 0 295.430 3.030 20 10 CGCDRO CCC[C@@H]1C[NH2+]CCN1Cc1cc2ccccc2cc1O ZINC001236132397 819335604 /nfs/dbraw/zinc/33/56/04/819335604.db2.gz JHBSDHLUJIVEID-QGZVFWFLSA-N 1 0 284.403 3.119 20 10 CGCDRO CCCC[C@@H]1CN(Cc2cc(Cl)c(C)cc2O)CC[NH2+]1 ZINC001236136694 819337234 /nfs/dbraw/zinc/33/72/34/819337234.db2.gz HPZTYQJYVIFNPR-CQSZACIVSA-N 1 0 296.842 3.318 20 10 CGCDRO Cc1ccnc(O[C@@H]2CCC[N@H+](Cc3ccc(N)cc3)C2)c1 ZINC001236532624 819525029 /nfs/dbraw/zinc/52/50/29/819525029.db2.gz DLHXGZUTOUNLPA-QGZVFWFLSA-N 1 0 297.402 3.016 20 10 CGCDRO Cc1cc(Br)c([O-])c(C[NH+]2CC3(CCC3)C2)c1 ZINC001236664943 819565415 /nfs/dbraw/zinc/56/54/15/819565415.db2.gz YQNJDFRIXAJRDS-UHFFFAOYSA-N 1 0 296.208 3.449 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CC[C@H]3CCC[C@@H]3C2)cc1OC ZINC001236750592 819589539 /nfs/dbraw/zinc/58/95/39/819589539.db2.gz TYFJZTHZUGCAIQ-CHWSQXEVSA-N 1 0 291.391 3.031 20 10 CGCDRO CCc1ccc(C[N@H+](C)Cc2ccc(C)nc2)c(O)c1 ZINC001236787908 819595701 /nfs/dbraw/zinc/59/57/01/819595701.db2.gz MDDJOCKSCVCPEN-UHFFFAOYSA-N 1 0 270.376 3.290 20 10 CGCDRO CCc1ccc(C[N@H+](C)Cc2cncs2)c(O)c1 ZINC001236792874 819596523 /nfs/dbraw/zinc/59/65/23/819596523.db2.gz SOUKZOIHEVAJPK-UHFFFAOYSA-N 1 0 262.378 3.043 20 10 CGCDRO CCc1ccc(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)c(O)c1 ZINC001236792888 819597250 /nfs/dbraw/zinc/59/72/50/819597250.db2.gz TUFIBBWQJKOFAX-QGZVFWFLSA-N 1 0 298.386 3.003 20 10 CGCDRO CC[N@H+](Cc1c(O)cc(OC)cc1Cl)C1CCOCC1 ZINC001236800443 819600588 /nfs/dbraw/zinc/60/05/88/819600588.db2.gz WVAUTEOOSWVPLT-UHFFFAOYSA-N 1 0 299.798 3.055 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CCCC[C@@H](F)C2)c(O)c1 ZINC001236808062 819602174 /nfs/dbraw/zinc/60/21/74/819602174.db2.gz LHLBYOWYUYOWJP-GFCCVEGCSA-N 1 0 267.344 3.033 20 10 CGCDRO Oc1cc2ccccc2cc1C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC001236833954 819613931 /nfs/dbraw/zinc/61/39/31/819613931.db2.gz RHOMLBYTXPZCHO-RDJZCZTQSA-N 1 0 283.371 3.014 20 10 CGCDRO CCCC[NH+]1CCN(Cc2cc3ccccc3cc2O)CC1 ZINC001236842490 819618210 /nfs/dbraw/zinc/61/82/10/819618210.db2.gz WAZLPLROQOKWIZ-UHFFFAOYSA-N 1 0 298.430 3.463 20 10 CGCDRO COC1CC[NH+](Cc2cc3ccccc3cc2O)CC1 ZINC001236841401 819618618 /nfs/dbraw/zinc/61/86/18/819618618.db2.gz ZIAGUDXMNOXSID-UHFFFAOYSA-N 1 0 271.360 3.156 20 10 CGCDRO CCOc1ccc(C[NH+]2CCC3(CC3)CC2)c(O)c1 ZINC001237049701 819652193 /nfs/dbraw/zinc/65/21/93/819652193.db2.gz HTSDESROVPCGBR-UHFFFAOYSA-N 1 0 261.365 3.167 20 10 CGCDRO Oc1cccc(Cl)c1CN(C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC001237153020 819681787 /nfs/dbraw/zinc/68/17/87/819681787.db2.gz AZELWZABFKPAIQ-CYBMUJFWSA-N 1 0 294.826 3.152 20 10 CGCDRO Oc1ccc2ccccc2c1C[N@@H+]1CCNC2=CCCC[C@@H]21 ZINC001237224258 819703177 /nfs/dbraw/zinc/70/31/77/819703177.db2.gz CHXAUYZXUCQDCQ-SFHVURJKSA-N 1 0 294.398 3.387 20 10 CGCDRO CCn1cncc1C[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001237589213 819782980 /nfs/dbraw/zinc/78/29/80/819782980.db2.gz AAKQBIRJQGVKMB-UHFFFAOYSA-N 1 0 298.434 3.135 20 10 CGCDRO [O-]c1c(F)cc(Cl)cc1C[N@H+]1C[C@H]2[C@H](CC2(F)F)C1 ZINC001237617366 819787405 /nfs/dbraw/zinc/78/74/05/819787405.db2.gz PIGPZNGMTBNWNT-SCZZXKLOSA-N 1 0 291.700 3.272 20 10 CGCDRO COc1cc(C[N@@H+]2CCC23CCCCC3)c(O)c(OC)c1 ZINC001237668909 819803222 /nfs/dbraw/zinc/80/32/22/819803222.db2.gz HWAOXFMRLFFHKZ-UHFFFAOYSA-N 1 0 291.391 3.318 20 10 CGCDRO CCCCC[N@H+](C)Cc1cc(OC)cc(OC)c1O ZINC001237675297 819803334 /nfs/dbraw/zinc/80/33/34/819803334.db2.gz VNDXCHQISFMFDG-UHFFFAOYSA-N 1 0 267.369 3.031 20 10 CGCDRO CC[N@H+](Cc1cc(Cl)cc(C)c1O)C1CCOCC1 ZINC001237687562 819805194 /nfs/dbraw/zinc/80/51/94/819805194.db2.gz MHNKPKFDXBCFPG-UHFFFAOYSA-N 1 0 283.799 3.355 20 10 CGCDRO COc1ncc(C2CC2)cc1C[N@H+](C)Cc1ccccc1O ZINC001238029798 819917059 /nfs/dbraw/zinc/91/70/59/819917059.db2.gz AGJUNQABHLZJJP-UHFFFAOYSA-N 1 0 298.386 3.305 20 10 CGCDRO Cc1cc(F)cc(C[N@H+]2CCC[C@H](C)CC2)c1O ZINC001238060123 819921546 /nfs/dbraw/zinc/92/15/46/819921546.db2.gz FHNZATJTSBUDLD-NSHDSACASA-N 1 0 251.345 3.462 20 10 CGCDRO COc1ccc(O)c(C[N@H+](C)Cc2cc(F)cc(F)c2)c1 ZINC001339287738 936364783 /nfs/dbraw/zinc/36/47/83/936364783.db2.gz MURYTBCTXQIIPS-UHFFFAOYSA-N 1 0 293.313 3.311 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CCc2n[nH]cc2C1 ZINC001342410187 936466465 /nfs/dbraw/zinc/46/64/65/936466465.db2.gz YQLALFQODXYNIM-ZLDLUXBVSA-N 1 0 297.402 3.119 20 10 CGCDRO COc1ccc(C[NH2+]CCCC2CCCC2)c(O)c1OC ZINC001342899494 936483000 /nfs/dbraw/zinc/48/30/00/936483000.db2.gz YNIYEWNKDVAPJN-UHFFFAOYSA-N 1 0 293.407 3.469 20 10 CGCDRO c1cc(N2CCCC2)ccc1C[N@@H+]1CC[C@@H]1C1CC1 ZINC001344077653 936525599 /nfs/dbraw/zinc/52/55/99/936525599.db2.gz YTVQQISZPDHAMV-QGZVFWFLSA-N 1 0 256.393 3.271 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@@H](C)Cc1cnn(C)c1 ZINC001344437515 936534512 /nfs/dbraw/zinc/53/45/12/936534512.db2.gz GYUAQBQCWMGRAL-VNHYZAJKSA-N 1 0 299.418 3.203 20 10 CGCDRO CC(C)c1nc(CC[NH2+]Cc2ccc(N)cc2)cs1 ZINC001345159783 936804745 /nfs/dbraw/zinc/80/47/45/936804745.db2.gz LOQDRFBLBCLPCV-UHFFFAOYSA-N 1 0 275.421 3.181 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CCO[C@@H]1CC1(F)F ZINC001346869494 936864817 /nfs/dbraw/zinc/86/48/17/936864817.db2.gz RTCBEGOUKQXYDL-NTZNESFSSA-N 1 0 297.345 3.263 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC(C)(C)[C@@H]3COC[C@@H]32)cc1Cl ZINC001347394318 936882367 /nfs/dbraw/zinc/88/23/67/936882367.db2.gz IFQLYNWATGSUCY-OCCSQVGLSA-N 1 0 295.810 3.211 20 10 CGCDRO CC1(C)OCC[C@@H]1C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001350141314 936980706 /nfs/dbraw/zinc/98/07/06/936980706.db2.gz AGPJPFJBCXSIKK-MRXNPFEDSA-N 1 0 288.435 3.192 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCOC23CCCC3)c1 ZINC001352751113 937048461 /nfs/dbraw/zinc/04/84/61/937048461.db2.gz SXMXORFTQHOAJW-BLLLJJGKSA-N 1 0 291.391 3.153 20 10 CGCDRO CC[C@]1(O)CCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001352875108 937051722 /nfs/dbraw/zinc/05/17/22/937051722.db2.gz DIGNEJMDDVGVJL-SFHVURJKSA-N 1 0 288.435 3.024 20 10 CGCDRO Cc1cc(O)c(CN(C)[C@@H]2CC[N@@H+](C(C)C)C2)cc1Cl ZINC001474577026 937207014 /nfs/dbraw/zinc/20/70/14/937207014.db2.gz DZFFNUNINJIAJJ-CQSZACIVSA-N 1 0 296.842 3.269 20 10 CGCDRO C[C@H]([NH2+]Cc1ccccc1O)c1cccc([N+](=O)[O-])c1 ZINC000037775545 928691958 /nfs/dbraw/zinc/69/19/58/928691958.db2.gz OCXQFCWISQSYMG-NSHDSACASA-N 1 0 272.304 3.151 20 10 CGCDRO CCC[C@H](C)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001461051843 928750236 /nfs/dbraw/zinc/75/02/36/928750236.db2.gz ACMDBHSQTRGFBO-JTQLQIEISA-N 1 0 256.340 3.309 20 10 CGCDRO C[C@@]1(C[NH2+]Cc2ccc3c(c2)CCCO3)CCCC[C@H]1O ZINC001461287798 937574582 /nfs/dbraw/zinc/57/45/82/937574582.db2.gz QXXKEXGWYRLLBN-MSOLQXFVSA-N 1 0 289.419 3.042 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CC(C)(C)F)cc1 ZINC001461686799 937592293 /nfs/dbraw/zinc/59/22/93/937592293.db2.gz XWDUYYSFMCVYGK-UHFFFAOYSA-N 1 0 252.377 3.371 20 10 CGCDRO CC[C@@H](C[NH2+]Cc1cc(C(C)C)ccc1O)OC ZINC001462299183 937630394 /nfs/dbraw/zinc/63/03/94/937630394.db2.gz LWYQQNIACRQFJR-AWEZNQCLSA-N 1 0 251.370 3.030 20 10 CGCDRO CCC[C@H](C[NH2+][C@@H](C)Cc1ccc(N(C)C)cc1C)OC ZINC001462353075 937634939 /nfs/dbraw/zinc/63/49/39/937634939.db2.gz DBMORSALKCRZLF-MAUKXSAKSA-N 1 0 292.467 3.397 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2nc3ccccc3nc2C)c1 ZINC001462446773 937641758 /nfs/dbraw/zinc/64/17/58/937641758.db2.gz JBVKOSFGMDDBNM-UHFFFAOYSA-N 1 0 293.370 3.242 20 10 CGCDRO CCc1ccc(C[N@@H+]2Cc3cccc(O)c3C2)cc1 ZINC001462521687 937647188 /nfs/dbraw/zinc/64/71/88/937647188.db2.gz SANJBHNBRGEVAW-UHFFFAOYSA-N 1 0 253.345 3.470 20 10 CGCDRO CCC[C@](C)(CO)[NH2+]Cc1c(C)c2ccccc2n1C ZINC001308264732 933085260 /nfs/dbraw/zinc/08/52/60/933085260.db2.gz USSQRUZECCPTTJ-QGZVFWFLSA-N 1 0 274.408 3.127 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CC2(CO)CCCCC2)c(Cl)c1 ZINC001308301502 933092333 /nfs/dbraw/zinc/09/23/33/933092333.db2.gz YSARJCFBIRGLEP-UHFFFAOYSA-N 1 0 297.826 3.386 20 10 CGCDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2ccc(C)cc2O)C1(C)C ZINC001308567785 933134277 /nfs/dbraw/zinc/13/42/77/933134277.db2.gz OUZUUQNDYBJGAB-JKSUJKDBSA-N 1 0 277.408 3.336 20 10 CGCDRO CCC(CC)(C[NH2+]Cc1ccc(Cl)cc1O)C(=O)OC ZINC001308675696 933156029 /nfs/dbraw/zinc/15/60/29/933156029.db2.gz HGFQTSWXVKXKNK-UHFFFAOYSA-N 1 0 299.798 3.115 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+][C@@H]2CCOC[C@@H]2C)c1 ZINC001308683154 933157326 /nfs/dbraw/zinc/15/73/26/933157326.db2.gz AORSJXTVAHOKRO-SWLSCSKDSA-N 1 0 263.381 3.030 20 10 CGCDRO COc1ccc(C[NH2+]Cc2coc3ccccc23)c(O)c1 ZINC001308715590 933164092 /nfs/dbraw/zinc/16/40/92/933164092.db2.gz HGYBHPAOGZUJQC-UHFFFAOYSA-N 1 0 283.327 3.437 20 10 CGCDRO Oc1cc(Cl)ccc1C[N@@H+]1CCSC[C@@H]1C1CC1 ZINC001308776404 933174786 /nfs/dbraw/zinc/17/47/86/933174786.db2.gz YDLJAAIUEINZEH-CYBMUJFWSA-N 1 0 283.824 3.373 20 10 CGCDRO Cc1ccc(C[NH2+][C@H](C)c2ccc3[nH]c(=O)oc3c2)c(O)c1 ZINC001308885422 933197037 /nfs/dbraw/zinc/19/70/37/933197037.db2.gz CVLJPOCYTWUDMX-LLVKDONJSA-N 1 0 298.342 3.398 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCC2CSC2)c(Cl)c1 ZINC001308984086 933221333 /nfs/dbraw/zinc/22/13/33/933221333.db2.gz FXVWPZZSLIVQTR-UHFFFAOYSA-N 1 0 271.813 3.197 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CCN1CCC[C@H]1C ZINC001320118369 934003955 /nfs/dbraw/zinc/00/39/55/934003955.db2.gz JKUMFBHSZCOUQI-RBSFLKMASA-N 1 0 288.435 3.323 20 10 CGCDRO COC[C@H]([NH2+]Cc1ccc(C)cc1O)c1ccc(F)cc1 ZINC001474748575 934041464 /nfs/dbraw/zinc/04/14/64/934041464.db2.gz TXPREOZLBJPMQV-INIZCTEOSA-N 1 0 289.350 3.317 20 10 CGCDRO C[C@@H]1CSCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001321090328 934148267 /nfs/dbraw/zinc/14/82/67/934148267.db2.gz JTWQPQMZTFLLTF-HNNXBMFYSA-N 1 0 290.476 3.472 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C[C@H](O)c1ccco1 ZINC001323829288 934429651 /nfs/dbraw/zinc/42/96/51/934429651.db2.gz GXMKRLGZWXWZBH-BZPMIXESSA-N 1 0 287.359 3.165 20 10 CGCDRO C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1ccccc1O ZINC001325204594 934894637 /nfs/dbraw/zinc/89/46/37/934894637.db2.gz USWGFZHRYVMCSQ-NEPJUHHUSA-N 1 0 279.380 3.163 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001325290106 934901369 /nfs/dbraw/zinc/90/13/69/934901369.db2.gz SQLKXNZFDRCSGJ-FUHWJXTLSA-N 1 0 288.435 3.062 20 10 CGCDRO COCC1([NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3C)CC1 ZINC001325355827 934906534 /nfs/dbraw/zinc/90/65/34/934906534.db2.gz GDLRBFNAKOZTGX-NEPJUHHUSA-N 1 0 261.365 3.018 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]C2CC3(CC3(F)F)C2)c1O ZINC001329585262 935230251 /nfs/dbraw/zinc/23/02/51/935230251.db2.gz JMNFEBBSGREVLJ-NAUIOFCNSA-N 1 0 283.318 3.239 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCC[C@H](F)C2)cc1 ZINC001332434657 935469264 /nfs/dbraw/zinc/46/92/64/935469264.db2.gz CYALVXDQWJMBJM-UONOGXRCSA-N 1 0 250.361 3.123 20 10 CGCDRO Nc1ccc(C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)cc1 ZINC001336285074 936186268 /nfs/dbraw/zinc/18/62/68/936186268.db2.gz HMOWIDCRBIJWGO-GOSISDBHSA-N 1 0 281.403 3.345 20 10 CGCDRO CCC[C@@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001337041761 936233991 /nfs/dbraw/zinc/23/39/91/936233991.db2.gz CBPMNMNFOOYXAN-GOSISDBHSA-N 1 0 288.435 3.288 20 10 CGCDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)CN1C1CC1 ZINC001474066520 937838807 /nfs/dbraw/zinc/83/88/07/937838807.db2.gz YNESTRNVJXQELK-RDJZCZTQSA-N 1 0 299.462 3.002 20 10 CGCDRO F[C@@]1(c2ccccc2)C[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC001474186527 937843448 /nfs/dbraw/zinc/84/34/48/937843448.db2.gz IEZJUEQTBMHJGV-QZTJIDSGSA-N 1 0 283.346 3.348 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CCCC(C)(C)C2)c(O)c1 ZINC001474445382 937860448 /nfs/dbraw/zinc/86/04/48/937860448.db2.gz CPCIAGUMDONFNT-UHFFFAOYSA-N 1 0 263.381 3.331 20 10 CGCDRO COc1ccc(C[NH2+][C@H](C)Cc2cccc(C)c2)c(O)c1 ZINC001474473652 937861883 /nfs/dbraw/zinc/86/18/83/937861883.db2.gz YFVWRTAXGWVVLN-CQSZACIVSA-N 1 0 285.387 3.430 20 10 CGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@@H]1C[C@H](C)n2ccnc21 ZINC001474494988 937863293 /nfs/dbraw/zinc/86/32/93/937863293.db2.gz HZGHPOFGYPAKJA-XJKSGUPXSA-N 1 0 284.407 3.264 20 10 CGCDRO CC(C)c1ccc(O)c(C[N@H+](C)[C@H]2CCN(C)C[C@H]2C)c1 ZINC001474504281 937863903 /nfs/dbraw/zinc/86/39/03/937863903.db2.gz FCYYVOWNDQYWDV-PBHICJAKSA-N 1 0 290.451 3.288 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+]CCO[C@@H]2CC2(F)F)c1 ZINC001474619350 937870812 /nfs/dbraw/zinc/87/08/12/937870812.db2.gz USSYEDOJXJXAJX-CQSZACIVSA-N 1 0 285.334 3.029 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H](C)CN2CCCCC2)c(Cl)c1 ZINC001560262276 938249997 /nfs/dbraw/zinc/24/99/97/938249997.db2.gz WSVNSWTZBOZHSQ-CYBMUJFWSA-N 1 0 296.842 3.318 20 10 CGCDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1c(C)cc(OC)cc1O ZINC001560687753 938269985 /nfs/dbraw/zinc/26/99/85/938269985.db2.gz OOCSXNCJWZIZLH-DGCLKSJQSA-N 1 0 263.381 3.330 20 10 CGCDRO CC[N@@H+](Cc1cc(C(C)C)ccc1O)C[C@@H](C)OC ZINC001560846074 938279177 /nfs/dbraw/zinc/27/91/77/938279177.db2.gz YQFJXBRFIDXLAV-CYBMUJFWSA-N 1 0 265.397 3.372 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+][C@@H](C)COCC2CC2)c1 ZINC001560918841 938283877 /nfs/dbraw/zinc/28/38/77/938283877.db2.gz JTKHZRYLXKIIPO-ZDUSSCGKSA-N 1 0 277.408 3.420 20 10 CGCDRO CCOCC[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000057626097 345184387 /nfs/dbraw/zinc/18/43/87/345184387.db2.gz LZDVUTZJSVOGOX-UHFFFAOYSA-N 1 0 276.424 3.145 20 10 CGCDRO C[C@H](CO)[C@H](C)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000077422478 345573288 /nfs/dbraw/zinc/57/32/88/345573288.db2.gz QKDRFDZHVGZFOB-KGLIPLIRSA-N 1 0 285.387 3.166 20 10 CGCDRO CC(C)[NH+]1CCC([NH2+]Cc2cccc(Cl)c2[O-])CC1 ZINC000124679094 370926144 /nfs/dbraw/zinc/92/61/44/370926144.db2.gz QXPNIRGTNDDKGP-UHFFFAOYSA-N 1 0 282.815 3.008 20 10 CGCDRO COCc1cccc(C[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000038010758 369139217 /nfs/dbraw/zinc/13/92/17/369139217.db2.gz NXJALGHRZQFSJA-UHFFFAOYSA-N 1 0 283.371 3.058 20 10 CGCDRO CCC[N@H+](Cc1ccccc1O)Cc1nc(C)ccc1O ZINC000092704967 370100158 /nfs/dbraw/zinc/10/01/58/370100158.db2.gz FCWIFUWQTVRCBW-UHFFFAOYSA-N 1 0 286.375 3.213 20 10 CGCDRO Cc1ccc(O)c(C[NH+]2CCC(C3CCOCC3)CC2)c1 ZINC000093705142 370156365 /nfs/dbraw/zinc/15/63/65/370156365.db2.gz VRABPWMDVCGLJK-UHFFFAOYSA-N 1 0 289.419 3.339 20 10 CGCDRO CCOc1cccc(C[NH2+]C(C)(C)c2nccs2)c1O ZINC000116380565 370558157 /nfs/dbraw/zinc/55/81/57/370558157.db2.gz MTIDSJWZCMDTMF-UHFFFAOYSA-N 1 0 292.404 3.272 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2O)cc1[N+](=O)[O-] ZINC000135776391 371448149 /nfs/dbraw/zinc/44/81/49/371448149.db2.gz AVEHPSKPHRNLMN-GFCCVEGCSA-N 1 0 286.331 3.460 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCCSC2)c1 ZINC000286927002 371573735 /nfs/dbraw/zinc/57/37/35/371573735.db2.gz FYPCIXXNHWGCDB-VXGBXAGGSA-N 1 0 281.421 3.195 20 10 CGCDRO CCc1nc(C)cc(NCc2ccc(N3CC=CC3)cc2)n1 ZINC000287516690 371667880 /nfs/dbraw/zinc/66/78/80/371667880.db2.gz ZPSJCQBDGRADMQ-UHFFFAOYSA-N 1 0 294.402 3.336 20 10 CGCDRO CC(C)SCC[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000287247561 371627769 /nfs/dbraw/zinc/62/77/69/371627769.db2.gz ZHKVXAKZZGFKDR-JTQLQIEISA-N 1 0 257.374 3.324 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H]2c3ccccc3O[C@@H]2C)c1 ZINC000288434484 371737285 /nfs/dbraw/zinc/73/72/85/371737285.db2.gz BVFJDIZGTYJFHF-SJKOYZFVSA-N 1 0 269.344 3.312 20 10 CGCDRO CC[C@H]([NH2+]Cc1snnc1C)c1ccc(N(C)C)cc1 ZINC000293736236 372466283 /nfs/dbraw/zinc/46/62/83/372466283.db2.gz QKURWOVVNWINGX-AWEZNQCLSA-N 1 0 290.436 3.153 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)CN(C)C)c1ccc2ccccc2c1O ZINC000168526622 372613130 /nfs/dbraw/zinc/61/31/30/372613130.db2.gz RVBLOICWSXWWMM-QWHCGFSZSA-N 1 0 272.392 3.146 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1CSCCS1)c1cc(F)ccc1O ZINC000168820514 372621603 /nfs/dbraw/zinc/62/16/03/372621603.db2.gz IPBQKVKLBGKYBP-KOLCDFICSA-N 1 0 287.425 3.031 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CCC(C)(C)CO)cc1 ZINC000294802500 372672407 /nfs/dbraw/zinc/67/24/07/372672407.db2.gz NBMWATNJZPLFJX-UHFFFAOYSA-N 1 0 278.440 3.031 20 10 CGCDRO CCn1cc(C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)cn1 ZINC000294821848 372674811 /nfs/dbraw/zinc/67/48/11/372674811.db2.gz QLXGSJXFKFKVSF-ZDUSSCGKSA-N 1 0 273.380 3.076 20 10 CGCDRO CCOCc1cc(C[NH2+]C2(CC)CC2)ccc1OC ZINC000294927965 372680161 /nfs/dbraw/zinc/68/01/61/372680161.db2.gz ZGLIHSXYSXVUPX-UHFFFAOYSA-N 1 0 263.381 3.264 20 10 CGCDRO CC[C@H]([NH2+]CCc1nccnc1C)c1ccc(N(C)C)cc1 ZINC000294948022 372680456 /nfs/dbraw/zinc/68/04/56/372680456.db2.gz IKDIIBSTJHQEBC-KRWDZBQOSA-N 1 0 298.434 3.134 20 10 CGCDRO CSCc1cnc(CN(C)Cc2ccccc2O)s1 ZINC000295453726 372788103 /nfs/dbraw/zinc/78/81/03/372788103.db2.gz VJNUWIHGQMVDBI-UHFFFAOYSA-N 1 0 294.445 3.344 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CCc3cccc(O)c32)cc1F ZINC000296217844 373055849 /nfs/dbraw/zinc/05/58/49/373055849.db2.gz ZPSHNWJWTHMMBA-CQSZACIVSA-N 1 0 287.334 3.317 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]C[C@@H]1CCC(F)(F)C1)CC2 ZINC000296228570 373060335 /nfs/dbraw/zinc/06/03/35/373060335.db2.gz AIMNEFUMDKACSJ-ZYHUDNBSSA-N 1 0 267.319 3.405 20 10 CGCDRO C[C@@](O)(C[NH2+][C@H]1CCc2cccc(O)c21)C1CCCCC1 ZINC000296539878 373169848 /nfs/dbraw/zinc/16/98/48/373169848.db2.gz SHCHBDXENLHIFH-MAUKXSAKSA-N 1 0 289.419 3.300 20 10 CGCDRO COCC(C)(C)CCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297407493 373268549 /nfs/dbraw/zinc/26/85/49/373268549.db2.gz SXQFHDQRZZTYAC-AWEZNQCLSA-N 1 0 277.408 3.422 20 10 CGCDRO C[C@H](Cn1cccn1)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000298375172 373308433 /nfs/dbraw/zinc/30/84/33/373308433.db2.gz BFCFFKKXFWQSJW-MRXNPFEDSA-N 1 0 298.434 3.052 20 10 CGCDRO Oc1ccc(F)cc1C[NH+]1CCC(OC2CCCC2)CC1 ZINC000180025456 373954349 /nfs/dbraw/zinc/95/43/49/373954349.db2.gz ORRSSGWHIKGDHG-UHFFFAOYSA-N 1 0 293.382 3.455 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+](C)[C@H]2CCSC2)c1O ZINC000179681419 373905931 /nfs/dbraw/zinc/90/59/31/373905931.db2.gz PLFQEURCGOYSCL-LBPRGKRZSA-N 1 0 271.813 3.291 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1nccn1C ZINC000182386106 374268557 /nfs/dbraw/zinc/26/85/57/374268557.db2.gz PUXHNBSYVFVSRD-QGZVFWFLSA-N 1 0 298.434 3.261 20 10 CGCDRO COc1cccc(C[N@H+](C)C[C@H](C)c2nccs2)c1O ZINC000183262543 374392945 /nfs/dbraw/zinc/39/29/45/374392945.db2.gz MZIKTHRYZIWOEF-NSHDSACASA-N 1 0 292.404 3.093 20 10 CGCDRO COc1ccccc1CC[NH2+][C@@H](C)c1ccccc1O ZINC000183380659 374407597 /nfs/dbraw/zinc/40/75/97/374407597.db2.gz HLOOZTCHQIXURD-ZDUSSCGKSA-N 1 0 271.360 3.294 20 10 CGCDRO C[C@@H]([NH2+]C[C@@](C)(O)c1ccc(F)cc1)c1ccccc1O ZINC000183631135 374435791 /nfs/dbraw/zinc/43/57/91/374435791.db2.gz YADDYDQCGGEVQF-SJKOYZFVSA-N 1 0 289.350 3.090 20 10 CGCDRO C[C@@H](C[NH2+][C@@H](C)c1ccccc1O)N1CCC[C@H](C)C1 ZINC000183418803 374412518 /nfs/dbraw/zinc/41/25/18/374412518.db2.gz ZZSIFDULFASCST-KKUMJFAQSA-N 1 0 276.424 3.163 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)CC(C)(C)OC)c1 ZINC000185564448 374688071 /nfs/dbraw/zinc/68/80/71/374688071.db2.gz BEKWNJBBSWLRKY-RYUDHWBXSA-N 1 0 281.396 3.255 20 10 CGCDRO CC(C)(O)c1ccc(C[NH2+]Cc2cc(F)ccc2O)cc1 ZINC000187524908 375036286 /nfs/dbraw/zinc/03/62/86/375036286.db2.gz GVPMXXQHBPAPDH-UHFFFAOYSA-N 1 0 289.350 3.049 20 10 CGCDRO CCOC1CC(CC[NH2+][C@@H](C)c2cc(F)ccc2O)C1 ZINC000189253707 375350912 /nfs/dbraw/zinc/35/09/12/375350912.db2.gz QUNGFAOQXVOVLK-DCBWTQNWSA-N 1 0 281.371 3.387 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCC[C@H]2CCO)cc1 ZINC000189967134 375464082 /nfs/dbraw/zinc/46/40/82/375464082.db2.gz FQTKRHXVJHGYDY-FUHWJXTLSA-N 1 0 290.451 3.174 20 10 CGCDRO Cc1cc(O)c(C[NH+]2CCC([C@@H]3CCCO3)CC2)cc1C ZINC000190181845 375483278 /nfs/dbraw/zinc/48/32/78/375483278.db2.gz UCLXQTNLMCEQSA-SFHVURJKSA-N 1 0 289.419 3.400 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+][C@@H]2[C@H](C)O[C@H](C)[C@H]2C)c1O ZINC000529670049 375933481 /nfs/dbraw/zinc/93/34/81/375933481.db2.gz QCCPGKTYUAJJQZ-PUHVVEEASA-N 1 0 283.799 3.256 20 10 CGCDRO C[NH+](C)Cc1ccc(NCc2cc(F)ccc2O)cc1 ZINC000226580634 376364842 /nfs/dbraw/zinc/36/48/42/376364842.db2.gz PNVZRMFOZVERBH-UHFFFAOYSA-N 1 0 274.339 3.205 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccn(C)c2)cc1 ZINC000267129835 378031781 /nfs/dbraw/zinc/03/17/81/378031781.db2.gz VMBRAOYKWZLFEP-UHFFFAOYSA-N 1 0 271.408 3.161 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCO[C@H](C)C2)cc1 ZINC000271514106 378495899 /nfs/dbraw/zinc/49/58/99/378495899.db2.gz NMBJNIZYNGHNOC-IJEWVQPXSA-N 1 0 276.424 3.361 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1ccccc1O ZINC000271733439 378503154 /nfs/dbraw/zinc/50/31/54/378503154.db2.gz SXZKPCRAYNKIQA-NVXWUHKLSA-N 1 0 289.350 3.306 20 10 CGCDRO CCC(C)(C)[N@H+](C)Cc1cc(OC)c(OC)cc1O ZINC000271764794 378503903 /nfs/dbraw/zinc/50/39/03/378503903.db2.gz ZWORTOWHNZRSJY-UHFFFAOYSA-N 1 0 267.369 3.030 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2C[C@@H](C)CC2(C)C)cc1OC ZINC000271903926 378511837 /nfs/dbraw/zinc/51/18/37/378511837.db2.gz ZVQCFVYXNWZSMT-NSHDSACASA-N 1 0 279.380 3.030 20 10 CGCDRO Oc1cccc2c1CC[C@H]2[NH2+]Cc1cc(F)ccc1O ZINC000272506150 378652701 /nfs/dbraw/zinc/65/27/01/378652701.db2.gz WJRDDEYAPYLIJX-CQSZACIVSA-N 1 0 273.307 3.014 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)Cn1cccn1)c1ccc2ccccc2c1O ZINC000273475309 378748812 /nfs/dbraw/zinc/74/88/12/378748812.db2.gz KNLYUWSPIAUPSZ-UONOGXRCSA-N 1 0 295.386 3.481 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCC[C@@H](C)CO)c(O)c1C ZINC000273481216 378749875 /nfs/dbraw/zinc/74/98/75/378749875.db2.gz MDHUVHJYWIUNPJ-RISCZKNCSA-N 1 0 265.397 3.068 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCc3cn[nH]c32)c(O)c1 ZINC000273494487 378750338 /nfs/dbraw/zinc/75/03/38/378750338.db2.gz OVMGHKSGLCFHCS-RISCZKNCSA-N 1 0 271.364 3.152 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)C[C@H](C)O)c(O)c1C ZINC000273542927 378752019 /nfs/dbraw/zinc/75/20/19/378752019.db2.gz YRTSIFDJWROPQV-GXTWGEPZSA-N 1 0 279.424 3.457 20 10 CGCDRO COCCC1(C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)CC1 ZINC000273528096 378752228 /nfs/dbraw/zinc/75/22/28/378752228.db2.gz VSMYJDOSSSGXIK-AWEZNQCLSA-N 1 0 277.408 3.476 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCOC3(CCC3)C2)c1 ZINC000273530904 378752344 /nfs/dbraw/zinc/75/23/44/378752344.db2.gz WHPAQLBVUGHCKZ-UONOGXRCSA-N 1 0 275.392 3.453 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC2([C@@H](O)C(C)C)CC2)c1 ZINC000273538390 378752732 /nfs/dbraw/zinc/75/27/32/378752732.db2.gz XWHGGBVTNNOQIO-CJNGLKHVSA-N 1 0 277.408 3.148 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCC[C@@H]2O)c(O)c1C ZINC000273550358 378752910 /nfs/dbraw/zinc/75/29/10/378752910.db2.gz FSLQHCVFYHOTQE-LZWOXQAQSA-N 1 0 277.408 3.211 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2c3ccccc3C[C@H]2O)c(O)c1C ZINC000273579334 378753571 /nfs/dbraw/zinc/75/35/71/378753571.db2.gz MGBGGVWGSSNOFS-MORSLUCNSA-N 1 0 297.398 3.318 20 10 CGCDRO Cc1cc([C@H]2CCCN2Cc2cc(F)ccc2O)no1 ZINC000371536957 379167246 /nfs/dbraw/zinc/16/72/46/379167246.db2.gz WHXSJBGEBVFTRZ-CQSZACIVSA-N 1 0 276.311 3.165 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC000371803995 379177379 /nfs/dbraw/zinc/17/73/79/379177379.db2.gz TXSKAXYLYWFCSP-CYBMUJFWSA-N 1 0 295.810 3.294 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCOC[C@@H]2c2ccccc2)c1O ZINC000374998515 379481443 /nfs/dbraw/zinc/48/14/43/379481443.db2.gz NRGRUQODMHAWNO-QGZVFWFLSA-N 1 0 283.371 3.274 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CCC(F)(F)C2)cc1 ZINC000281654607 379841508 /nfs/dbraw/zinc/84/15/08/379841508.db2.gz NBHXOTIQGBISHG-CYBMUJFWSA-N 1 0 268.351 3.278 20 10 CGCDRO CC[C@H]([NH2+]CC1([S@@](C)=O)CCC1)c1ccc(C)cc1O ZINC000281137331 379819904 /nfs/dbraw/zinc/81/99/04/379819904.db2.gz UHVJVYFQTMFCFH-VBKZILBWSA-N 1 0 295.448 3.043 20 10 CGCDRO COCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000282275971 379888030 /nfs/dbraw/zinc/88/80/30/379888030.db2.gz RLUPMSGJIZSZCS-DOTOQJQBSA-N 1 0 276.424 3.047 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCc3nn(C)cc32)c1 ZINC000282571085 379947054 /nfs/dbraw/zinc/94/70/54/379947054.db2.gz YWUKXAPVSYVQAB-IUODEOHRSA-N 1 0 285.391 3.162 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CN(C3CC3)C[C@@H]2C)c(O)c1 ZINC000283973566 380111937 /nfs/dbraw/zinc/11/19/37/380111937.db2.gz GPXPGYCCYUJEMI-OFQRWUPVSA-N 1 0 288.435 3.142 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCCOCC2CC2)c(O)c1 ZINC000284137876 380129272 /nfs/dbraw/zinc/12/92/72/380129272.db2.gz OPNDJNKTXDGGKD-AWEZNQCLSA-N 1 0 277.408 3.476 20 10 CGCDRO COCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000282101590 285150773 /nfs/dbraw/zinc/15/07/73/285150773.db2.gz IQKHSAPFOXSRNU-GOEBONIOSA-N 1 0 294.414 3.187 20 10 CGCDRO CC[C@H](C)N(C)CC[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000185316345 262304522 /nfs/dbraw/zinc/30/45/22/262304522.db2.gz RHXUKDIWGLZKDC-KBPBESRZSA-N 1 0 264.413 3.082 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)CC(C)(C)C)c(O)c1 ZINC000185482394 262304697 /nfs/dbraw/zinc/30/46/97/262304697.db2.gz RXLZYTHEAKQNQC-OLZOCXBDSA-N 1 0 265.397 3.148 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+][C@H]1CCOC3(CCC3)C1)CC2 ZINC000296676021 285396807 /nfs/dbraw/zinc/39/68/07/285396807.db2.gz GEVWTZKZTKWQOM-KBPBESRZSA-N 1 0 273.376 3.071 20 10 CGCDRO COc1cccc(C[N@H+](C)[C@H](C)c2cccc(O)c2)c1O ZINC000093315918 392237272 /nfs/dbraw/zinc/23/72/72/392237272.db2.gz FTZTVLWUPBVRFS-GFCCVEGCSA-N 1 0 287.359 3.299 20 10 CGCDRO CSCC[C@@H](C)[N@H+](C)Cc1cc(C)ccc1O ZINC000093558904 392239177 /nfs/dbraw/zinc/23/91/77/392239177.db2.gz WCGJAQAQCBIFNJ-GFCCVEGCSA-N 1 0 253.411 3.274 20 10 CGCDRO CCOc1cccc(C[N@H+](C)[C@H](C)CCSC)c1O ZINC000093558732 392239488 /nfs/dbraw/zinc/23/94/88/392239488.db2.gz OVBXEWCTXRVOEX-GFCCVEGCSA-N 1 0 283.437 3.364 20 10 CGCDRO COc1cccc(C[N@@H+]2CCC[C@@H]2C2CCC2)c1O ZINC000092781093 392232837 /nfs/dbraw/zinc/23/28/37/392232837.db2.gz WJRCMUYEMUGKQX-CQSZACIVSA-N 1 0 261.365 3.165 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](C)c2ccccc2O)c(OC)c1 ZINC000109553739 392366214 /nfs/dbraw/zinc/36/62/14/392366214.db2.gz KHHVTEOGFYMYSC-LBPRGKRZSA-N 1 0 287.359 3.260 20 10 CGCDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccccc1O ZINC000109773534 392373032 /nfs/dbraw/zinc/37/30/32/392373032.db2.gz OVBXBDQCVSPLFG-GFCCVEGCSA-N 1 0 286.331 3.493 20 10 CGCDRO COc1ccc(N(C)Cc2nccn2C(C)C)cc1F ZINC000121728759 392416035 /nfs/dbraw/zinc/41/60/35/392416035.db2.gz HYLXJKFIRLEEFO-UHFFFAOYSA-N 1 0 277.343 3.248 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]C1CCSCC1 ZINC000123541227 392429855 /nfs/dbraw/zinc/42/98/55/392429855.db2.gz BQQNMVPLZAKJAK-UHFFFAOYSA-N 1 0 257.786 3.031 20 10 CGCDRO Cc1ccc(O)c(CN2CCC([NH+]3CCCCC3)CC2)c1 ZINC000132475840 392460133 /nfs/dbraw/zinc/46/01/33/392460133.db2.gz GFIQVIJXDRHEJX-UHFFFAOYSA-N 1 0 288.435 3.151 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1CSCCS1)c1ccc(N(C)C)cc1 ZINC000132535384 392460471 /nfs/dbraw/zinc/46/04/71/392460471.db2.gz DOVZUPMFMYPYFG-SWLSCSKDSA-N 1 0 296.505 3.252 20 10 CGCDRO CC[N@@H+](Cc1c(O)cccc1Cl)C[C@H]1CCCO1 ZINC000132664441 392461333 /nfs/dbraw/zinc/46/13/33/392461333.db2.gz IADGXTKVSHTUAF-LLVKDONJSA-N 1 0 269.772 3.047 20 10 CGCDRO Cc1cc(O)c(C[NH+]2CCC([C@@H]3CCOC3)CC2)cc1C ZINC000368245041 392488974 /nfs/dbraw/zinc/48/89/74/392488974.db2.gz PDKFGMQTIUBYHH-MRXNPFEDSA-N 1 0 289.419 3.258 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCc2cccc(O)c21)c1cccnc1 ZINC000296210957 392556027 /nfs/dbraw/zinc/55/60/27/392556027.db2.gz ZHRGUQSTGROXCI-FZMZJTMJSA-N 1 0 254.333 3.125 20 10 CGCDRO Cc1cccc(C[NH2+]Cc2ccccc2N(C)C)c1O ZINC000272003656 393257854 /nfs/dbraw/zinc/25/78/54/393257854.db2.gz WWACPOARAWKGPB-UHFFFAOYSA-N 1 0 270.376 3.056 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2ccncc2)c1 ZINC000020121365 171000459 /nfs/dbraw/zinc/00/04/59/171000459.db2.gz WCKVABYRDUPXOV-VXGBXAGGSA-N 1 0 272.348 3.208 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCN(C(C)C)C(C)C)c1 ZINC000035628506 172307203 /nfs/dbraw/zinc/30/72/03/172307203.db2.gz XDZRXUQFBOAGIJ-HNNXBMFYSA-N 1 0 278.440 3.470 20 10 CGCDRO CN(C)[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)c1ccccc1 ZINC000079249357 260175468 /nfs/dbraw/zinc/17/54/68/260175468.db2.gz KHBUXJUQEIXNND-GOSISDBHSA-N 1 0 296.414 3.014 20 10 CGCDRO C[C@@H](CO)C[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000151744468 261054711 /nfs/dbraw/zinc/05/47/11/261054711.db2.gz OOFCCDRALNCWKL-HZPDHXFCSA-N 1 0 290.451 3.346 20 10 CGCDRO Cc1n[nH]cc1C[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000155251170 261100065 /nfs/dbraw/zinc/10/00/65/261100065.db2.gz NCBKDTGJLWOWDG-UHFFFAOYSA-N 1 0 298.434 3.340 20 10 CGCDRO C[C@H]([NH2+]CCn1ccnc1)c1ccc(N2CCCCC2)cc1 ZINC000155732072 261106909 /nfs/dbraw/zinc/10/69/09/261106909.db2.gz BJEMFRQHKQVTRB-INIZCTEOSA-N 1 0 298.434 3.224 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@](C)(O)c1cccs1)c1ccccc1O ZINC000155958621 261110761 /nfs/dbraw/zinc/11/07/61/261110761.db2.gz KLIXLXIYKRXFBA-CZUORRHYSA-N 1 0 291.416 3.402 20 10 CGCDRO CC(C)[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000159011645 261175972 /nfs/dbraw/zinc/17/59/72/261175972.db2.gz VAFVBVUIIQIUFO-GJZGRUSLSA-N 1 0 276.424 3.218 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C2CCN(CC)CC2)cc1 ZINC000159274185 261182854 /nfs/dbraw/zinc/18/28/54/261182854.db2.gz QAANFWGDTIGQPG-OAHLLOKOSA-N 1 0 289.467 3.278 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H](CO)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000161456845 261246470 /nfs/dbraw/zinc/24/64/70/261246470.db2.gz UBMAGYSIZKOGAK-QAPCUYQASA-N 1 0 298.430 3.179 20 10 CGCDRO C[C@H]([NH2+][C@H]1C[C@@H](C)N(C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000166260726 261386469 /nfs/dbraw/zinc/38/64/69/261386469.db2.gz IFFFBUJLOBKFRR-YCPHGPKFSA-N 1 0 287.451 3.028 20 10 CGCDRO CSC(C)(C)C[NH2+][C@H](C)c1cc(C)ccc1O ZINC000168812903 261422513 /nfs/dbraw/zinc/42/25/13/261422513.db2.gz IKFBIMSHARLYQC-LLVKDONJSA-N 1 0 253.411 3.493 20 10 CGCDRO C[C@H]([NH2+][C@H]1COc2ccccc2C1)c1ccccc1O ZINC000183466850 261492304 /nfs/dbraw/zinc/49/23/04/261492304.db2.gz YUMQYRYHQUGYPS-GXTWGEPZSA-N 1 0 269.344 3.047 20 10 CGCDRO COCC[C@H](C)[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000185290619 262048938 /nfs/dbraw/zinc/04/89/38/262048938.db2.gz DZCINCGWXJMNQY-QWHCGFSZSA-N 1 0 277.408 3.347 20 10 CGCDRO CC[C@H](COC)[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000185503876 262056973 /nfs/dbraw/zinc/05/69/73/262056973.db2.gz UASHGQBVIOYBOX-MWLCHTKSSA-N 1 0 257.761 3.121 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCC[C@H]3OCC[C@@H]32)c(O)c1 ZINC000185773285 262069747 /nfs/dbraw/zinc/06/97/47/262069747.db2.gz MCIFFHNQRQJBDW-DNNBLBMLSA-N 1 0 275.392 3.309 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(C)(C)[C@@H](O)C(C)C)c1 ZINC000186174708 262082382 /nfs/dbraw/zinc/08/23/82/262082382.db2.gz JYJDRRHWFYYIJS-LRDDRELGSA-N 1 0 295.423 3.095 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CC(C)(C)[C@H](O)C(C)C)c(O)c1 ZINC000186174796 262082725 /nfs/dbraw/zinc/08/27/25/262082725.db2.gz FLXMHILLUZNYNV-XJKSGUPXSA-N 1 0 279.424 3.394 20 10 CGCDRO COCCC(C)(C)C[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000183931511 262255861 /nfs/dbraw/zinc/25/58/61/262255861.db2.gz WKOWDXRTOKPJMV-ZDUSSCGKSA-N 1 0 265.397 3.414 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](CCO)C(C)(C)C)c1 ZINC000185197882 262301897 /nfs/dbraw/zinc/30/18/97/262301897.db2.gz PTFSWRLHFDFZIC-WFASDCNBSA-N 1 0 265.397 3.148 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC3(C2)CCOCC3)cc1C ZINC000363278851 267083781 /nfs/dbraw/zinc/08/37/81/267083781.db2.gz SNVFCXFRXUPFRO-UHFFFAOYSA-N 1 0 275.392 3.012 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000370720745 267342255 /nfs/dbraw/zinc/34/22/55/267342255.db2.gz ORGJUPXODGBZOW-CYBMUJFWSA-N 1 0 295.810 3.294 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]Cc2cccnc2C)c1O ZINC000529662464 270187481 /nfs/dbraw/zinc/18/74/81/270187481.db2.gz QUYNLFVRACJJTI-UHFFFAOYSA-N 1 0 292.766 3.047 20 10 CGCDRO C[C@@H]([NH2+][C@@H](CO)Cc1ccccc1)c1ccc(N(C)C)cc1 ZINC000158268162 278366690 /nfs/dbraw/zinc/36/66/90/278366690.db2.gz ZOGCRDHKRRVTTH-CRAIPNDOSA-N 1 0 298.430 3.007 20 10 CGCDRO COC(C)(C)C[C@@H](C)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000185565106 327841405 /nfs/dbraw/zinc/84/14/05/327841405.db2.gz HHKVVWDEQNPOPO-MNOVXSKESA-N 1 0 269.360 3.386 20 10 CGCDRO CC(C)c1nnc([C@@H](C)[NH2+][C@@H](C)c2ccccc2O)[nH]1 ZINC000272852031 328200849 /nfs/dbraw/zinc/20/08/49/328200849.db2.gz LHHCGPXMAAPTHD-WDEREUQCSA-N 1 0 274.368 3.046 20 10 CGCDRO C[C@@H](O)CCC[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000278958676 328232257 /nfs/dbraw/zinc/23/22/57/328232257.db2.gz BEKFHRFUHKIRBU-OLZOCXBDSA-N 1 0 277.408 3.083 20 10 CGCDRO COc1cccc(C[N@H+](C)Cc2ccccc2O)c1OC ZINC000091956830 327187935 /nfs/dbraw/zinc/18/79/35/327187935.db2.gz JFZMWXDIYGHVON-UHFFFAOYSA-N 1 0 287.359 3.041 20 10 CGCDRO CCOc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1O)CCO2 ZINC000178420870 329199638 /nfs/dbraw/zinc/19/96/38/329199638.db2.gz YYHHFQBXBCIBPM-INIZCTEOSA-N 1 0 299.370 3.404 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2Cc3ccccc3[C@H]2O)c1 ZINC000248515867 329891050 /nfs/dbraw/zinc/89/10/50/329891050.db2.gz OKBXLWVURVHYTP-BJOOFOGMSA-N 1 0 283.371 3.010 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1[C@H](C)O[C@@H](C)[C@H]1C)c1ccccc1O ZINC000527999984 330299962 /nfs/dbraw/zinc/29/99/62/330299962.db2.gz DWMSCQPSAXSNCH-SPTHLVQHSA-N 1 0 263.381 3.245 20 10 CGCDRO CCO[C@@]1(C)C[C@H]1[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000527978676 330302394 /nfs/dbraw/zinc/30/23/94/330302394.db2.gz LFSYEWKWYCNGFL-FZZIBODNSA-N 1 0 269.772 3.264 20 10 CGCDRO COc1ccc([C@H](C)[NH2+]Cc2ccccc2O)c(OC)c1 ZINC000036922082 330314003 /nfs/dbraw/zinc/31/40/03/330314003.db2.gz USKRBZPFCZVPGC-LBPRGKRZSA-N 1 0 287.359 3.260 20 10 CGCDRO Cc1nc(CC[NH2+][C@@H](C)c2cc(C)ccc2O)cs1 ZINC000230658440 333319802 /nfs/dbraw/zinc/31/98/02/333319802.db2.gz XOGXITSVVPOXNP-NSHDSACASA-N 1 0 276.405 3.359 20 10 CGCDRO CC(C)[C@@H](CCO)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000230689983 333321109 /nfs/dbraw/zinc/32/11/09/333321109.db2.gz HDZUDWNXQXPUNT-GOSISDBHSA-N 1 0 290.451 3.174 20 10 CGCDRO Cc1cccc(C[NH2+]C[C@@]2(C)COc3ccccc3O2)c1O ZINC000529637376 333502410 /nfs/dbraw/zinc/50/24/10/333502410.db2.gz RDQDWOGETVTTTI-SFHVURJKSA-N 1 0 299.370 3.020 20 10 CGCDRO CCC([NH2+]Cc1cc(OC)ccc1O)(C1CC1)C1CC1 ZINC000529641787 333503086 /nfs/dbraw/zinc/50/30/86/333503086.db2.gz FNPPSEDQXQWKAA-UHFFFAOYSA-N 1 0 275.392 3.459 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H](OC)C(C)C)c1ccccc1O ZINC000274908607 334785306 /nfs/dbraw/zinc/78/53/06/334785306.db2.gz MOSJSEDGOLERKB-HIFRSBDPSA-N 1 0 251.370 3.104 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]CCC2(OC)CCC2)c1O ZINC000293574456 334891715 /nfs/dbraw/zinc/89/17/15/334891715.db2.gz HGKMJQAGWSYDRA-UHFFFAOYSA-N 1 0 299.798 3.103 20 10 CGCDRO CCCCN(C)C[C@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000289995364 520416462 /nfs/dbraw/zinc/41/64/62/520416462.db2.gz YRKBVLQKPZQIHI-UONOGXRCSA-N 1 0 264.413 3.163 20 10 CGCDRO CCOc1ccc(O)c(C[N@H+](Cc2cccnc2)C2CC2)c1 ZINC000290338454 521142567 /nfs/dbraw/zinc/14/25/67/521142567.db2.gz FHICDJVTAMLGLQ-UHFFFAOYSA-N 1 0 298.386 3.351 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]CCC2(COC)CCC2)c1 ZINC000292950580 521152370 /nfs/dbraw/zinc/15/23/70/521152370.db2.gz KNNGKUJLOKLEDJ-UHFFFAOYSA-N 1 0 293.407 3.087 20 10 CGCDRO CC[N@H+](Cc1cccc(OC)c1O)[C@@H](C)c1cccnc1 ZINC000290338209 521355190 /nfs/dbraw/zinc/35/51/90/521355190.db2.gz FFGLDCFKFPNHJV-ZDUSSCGKSA-N 1 0 286.375 3.379 20 10 CGCDRO CCOc1cccc(C[NH2+]CCSC(C)C)c1O ZINC000289931165 521365612 /nfs/dbraw/zinc/36/56/12/521365612.db2.gz ANJYUSRDCMGEGU-UHFFFAOYSA-N 1 0 269.410 3.022 20 10 CGCDRO CC[N@@H+]1CC[C@@H](N(C)Cc2c(O)cccc2Cl)[C@H](C)C1 ZINC000130492704 521713892 /nfs/dbraw/zinc/71/38/92/521713892.db2.gz PNWUFUDLQWQYJY-IUODEOHRSA-N 1 0 296.842 3.208 20 10 CGCDRO CC[C@H]([NH2+]CC(C)(C)C[C@H](C)O)c1ccccc1O ZINC000156658719 522570912 /nfs/dbraw/zinc/57/09/12/522570912.db2.gz IJRZVTCZDKASHF-JSGCOSHPSA-N 1 0 265.397 3.230 20 10 CGCDRO CC[C@H]([NH2+]CCC[C@H](C)CO)c1ccc(C)cc1O ZINC000280272651 522585711 /nfs/dbraw/zinc/58/57/11/522585711.db2.gz YASGBMVCGFYXES-ZFWWWQNUSA-N 1 0 265.397 3.150 20 10 CGCDRO COC1(C[NH2+][C@H](C)c2ccc(C)cc2O)CCCC1 ZINC000297438208 522632280 /nfs/dbraw/zinc/63/22/80/522632280.db2.gz VXCVJCRDCNMCSQ-CYBMUJFWSA-N 1 0 263.381 3.310 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)c1cn[nH]c1)c1ccc(N(C)C)cc1 ZINC000271429865 522697965 /nfs/dbraw/zinc/69/79/65/522697965.db2.gz CZECEKVHGGXHDJ-LRDDRELGSA-N 1 0 272.396 3.278 20 10 CGCDRO CCc1nnc(C[NH2+][C@@H](CC)c2ccc(C)cc2O)s1 ZINC000290097408 522745052 /nfs/dbraw/zinc/74/50/52/522745052.db2.gz HSPVFABLGACDMT-LBPRGKRZSA-N 1 0 291.420 3.355 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](CO)Cc1cccc(C)c1)c1ccccc1O ZINC000191596186 522922266 /nfs/dbraw/zinc/92/22/66/522922266.db2.gz QSMWXKDDYJFSEB-SJLPKXTDSA-N 1 0 299.414 3.345 20 10 CGCDRO CC[C@@H]([NH2+][C@H]1CCc2nc(C)ncc2C1)c1ccccc1O ZINC000364773258 522953468 /nfs/dbraw/zinc/95/34/68/522953468.db2.gz DKYKVPXXGIBRMZ-GOEBONIOSA-N 1 0 297.402 3.089 20 10 CGCDRO COc1ccc(C[NH2+]C[C@@H](O)c2ccc(C)cc2)cc1C ZINC000237179897 524071503 /nfs/dbraw/zinc/07/15/03/524071503.db2.gz RMOAFBQOXCFMDT-QGZVFWFLSA-N 1 0 285.387 3.135 20 10 CGCDRO C[C@H](CCCO)[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000094941572 524149914 /nfs/dbraw/zinc/14/99/14/524149914.db2.gz SFURJVSPHVCUHR-OLZOCXBDSA-N 1 0 273.376 3.357 20 10 CGCDRO C[C@H](CF)[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000290219636 524276128 /nfs/dbraw/zinc/27/61/28/524276128.db2.gz RNQPEDBLPGRNHO-CYBMUJFWSA-N 1 0 289.350 3.419 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2cccc(N(C)C)n2)c(O)c1 ZINC000294580374 524334530 /nfs/dbraw/zinc/33/45/30/524334530.db2.gz CHTDEDVKWGZOGV-AWEZNQCLSA-N 1 0 299.418 3.321 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2ccc3c(c2)CCCN3C)o1 ZINC000050266792 524584126 /nfs/dbraw/zinc/58/41/26/524584126.db2.gz SHGYAJJKIOODSL-UHFFFAOYSA-N 1 0 270.376 3.260 20 10 CGCDRO Cc1cc(C[N@H+](C[C@@H]2CCOC2)C2CC2)ccc1N(C)C ZINC000293414709 524669244 /nfs/dbraw/zinc/66/92/44/524669244.db2.gz IHIGWFVWABFNEW-INIZCTEOSA-N 1 0 288.435 3.062 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H]2c2ccncc2)c1 ZINC000289843139 524743418 /nfs/dbraw/zinc/74/34/18/524743418.db2.gz PLALOWUYBVKEEB-MRXNPFEDSA-N 1 0 284.359 3.133 20 10 CGCDRO COc1ccc(OC)c(C[NH2+][C@@H](C)c2ccccc2O)c1 ZINC000269370329 524838903 /nfs/dbraw/zinc/83/89/03/524838903.db2.gz WKUAVKFCEBFGAB-LBPRGKRZSA-N 1 0 287.359 3.260 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+](C)[C@@H]2CCN(C)C[C@H]2C)c1O ZINC000290343743 524863089 /nfs/dbraw/zinc/86/30/89/524863089.db2.gz FQORHXONPRIIBE-IUODEOHRSA-N 1 0 296.842 3.126 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)cc1C ZINC000290512524 525321799 /nfs/dbraw/zinc/32/17/99/525321799.db2.gz PPAWKBGMQLYCMI-NZSAHSFTSA-N 1 0 279.383 3.437 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCCc3[nH]c(=O)ccc32)cc1C ZINC000266245609 525322240 /nfs/dbraw/zinc/32/22/40/525322240.db2.gz YUGSZUAGSFKJQY-OAHLLOKOSA-N 1 0 298.386 3.277 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@](C)(O)c2ccccc2)cc1C ZINC000266190046 525322719 /nfs/dbraw/zinc/32/27/19/525322719.db2.gz ICUATALTSBZNSP-GOSISDBHSA-N 1 0 285.387 3.006 20 10 CGCDRO C[C@H]([NH2+]CCc1cn[nH]c1)c1ccc(N2CCCCC2)cc1 ZINC000289616680 525373892 /nfs/dbraw/zinc/37/38/92/525373892.db2.gz DIHQEGWJYDAVKN-HNNXBMFYSA-N 1 0 298.434 3.293 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1COc2ccccc21)c1cc(F)ccc1O ZINC000290286703 525397063 /nfs/dbraw/zinc/39/70/63/525397063.db2.gz MNARDBJLVOCTKW-NWDGAFQWSA-N 1 0 287.334 3.358 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cc(F)ccc1O ZINC000094616941 525446723 /nfs/dbraw/zinc/44/67/23/525446723.db2.gz PZFYTOTWOKKYFS-LBPRGKRZSA-N 1 0 288.366 3.448 20 10 CGCDRO C[C@@H]([NH2+]CC[C@H](C)O)c1ccc(N2CCCCC2)cc1 ZINC000268866769 525458981 /nfs/dbraw/zinc/45/89/81/525458981.db2.gz HJTBEUADLSHDJB-LSDHHAIUSA-N 1 0 276.424 3.098 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1CCCCN1C1CC1)c1ccccc1O ZINC000278457230 525501019 /nfs/dbraw/zinc/50/10/19/525501019.db2.gz MFEBLSIAQODWTA-UKRRQHHQSA-N 1 0 274.408 3.060 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1cccnc1)c1cc(F)ccc1O ZINC000094616875 525616850 /nfs/dbraw/zinc/61/68/50/525616850.db2.gz CXUGLAVEDJOCBZ-WDEREUQCSA-N 1 0 260.312 3.338 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCOC[C@H]1C)c1cc(Cl)ccc1O ZINC000278540519 525622486 /nfs/dbraw/zinc/62/24/86/525622486.db2.gz NYRITYCUWJLXJG-NRUUGDAUSA-N 1 0 269.772 3.121 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCc2cccnc2)c(O)c1C ZINC000273407016 525729120 /nfs/dbraw/zinc/72/91/20/525729120.db2.gz OQMGJIKGSVGQNU-CQSZACIVSA-N 1 0 270.376 3.297 20 10 CGCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+][C@@H]1CCCOC1 ZINC000264385603 526338642 /nfs/dbraw/zinc/33/86/42/526338642.db2.gz MLKUCDIUHCMGQZ-QGZVFWFLSA-N 1 0 283.371 3.328 20 10 CGCDRO Cc1cc(CC[NH2+]Cc2ncc[nH]2)c(C)n1-c1ccccc1 ZINC000727642865 571759527 /nfs/dbraw/zinc/75/95/27/571759527.db2.gz OCLPEOOFFGFTRP-UHFFFAOYSA-N 1 0 294.402 3.150 20 10 CGCDRO COc1ccc(C[NH2+]Cc2ccc([C@@H]3C[C@H]3C)o2)c(O)c1 ZINC000725846402 572439189 /nfs/dbraw/zinc/43/91/89/572439189.db2.gz DCYBHOQWVLHFTQ-IAQYHMDHSA-N 1 0 287.359 3.407 20 10 CGCDRO Cc1cnn(CC[N@H+](Cc2ccccc2O)C2CCCC2)c1 ZINC000732204997 572451755 /nfs/dbraw/zinc/45/17/55/572451755.db2.gz XAMGYBLYSAXTHO-UHFFFAOYSA-N 1 0 299.418 3.342 20 10 CGCDRO CN(C)c1ccc(C[N@H+](CCOCC2CC2)C2CC2)cc1 ZINC000741804349 572531490 /nfs/dbraw/zinc/53/14/90/572531490.db2.gz FDYFIHGQKFUERS-UHFFFAOYSA-N 1 0 288.435 3.144 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]CCOc1ccc(F)cc1 ZINC000733325872 572556484 /nfs/dbraw/zinc/55/64/84/572556484.db2.gz VKOHWIYEWSNNDS-UHFFFAOYSA-N 1 0 295.741 3.353 20 10 CGCDRO C[C@@H]1CCC[C@H](C)C[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000742155989 572556969 /nfs/dbraw/zinc/55/69/69/572556969.db2.gz VBXBTDUUDKSOQT-NWDGAFQWSA-N 1 0 277.364 3.131 20 10 CGCDRO COC[C@H]([NH2+]Cc1ccc(OC)c(C)c1)c1ccccc1 ZINC000733332340 572558081 /nfs/dbraw/zinc/55/80/81/572558081.db2.gz SXFWJKWCOFOTST-KRWDZBQOSA-N 1 0 285.387 3.481 20 10 CGCDRO Cc1ncsc1C[NH2+]Cc1ccc(N(C)C)cc1C ZINC000742370991 572569237 /nfs/dbraw/zinc/56/92/37/572569237.db2.gz DFWXTKBVOLQJML-UHFFFAOYSA-N 1 0 275.421 3.116 20 10 CGCDRO COc1cccc(O)c1C[NH2+][C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000742378399 572571372 /nfs/dbraw/zinc/57/13/72/572571372.db2.gz HJIPKYKLMYZDPC-MGPQQGTHSA-N 1 0 275.392 3.459 20 10 CGCDRO COC[C@@H]1CC[N@H+](Cc2cc(C)cc(C(C)(C)C)c2O)C1 ZINC000739873834 572595966 /nfs/dbraw/zinc/59/59/66/572595966.db2.gz JKPDTYCEVXZPRW-CQSZACIVSA-N 1 0 291.435 3.466 20 10 CGCDRO COc1ccc(C[NH2+][C@H](C)Cc2ccncc2)cc1C ZINC000749293663 572991624 /nfs/dbraw/zinc/99/16/24/572991624.db2.gz CJYCBRSJWMSEKJ-CQSZACIVSA-N 1 0 270.376 3.119 20 10 CGCDRO C[C@H](C[NH2+]Cc1c(O)cccc1Cl)c1ccncc1 ZINC000749295305 572991703 /nfs/dbraw/zinc/99/17/03/572991703.db2.gz LBKQRDKTBMSKAR-LLVKDONJSA-N 1 0 276.767 3.334 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)CCC(C)(C)O)cc1 ZINC000749795943 573039628 /nfs/dbraw/zinc/03/96/28/573039628.db2.gz NCMNOIAXEXEWHU-UHFFFAOYSA-N 1 0 278.440 3.126 20 10 CGCDRO COc1cc(C[NH+]2Cc3ccccc3C2)c(O)cc1C ZINC000160156014 617607515 /nfs/dbraw/zinc/60/75/15/617607515.db2.gz HGIWMXSLURVKJM-UHFFFAOYSA-N 1 0 269.344 3.225 20 10 CGCDRO C[C@H]1C[C@@H]([NH2+]CC2=CCCOC2)c2c1c(F)ccc2O ZINC000806177598 617818464 /nfs/dbraw/zinc/81/84/64/617818464.db2.gz DLYUUXOUULSYJC-GXFFZTMASA-N 1 0 277.339 3.016 20 10 CGCDRO COc1ccc(C[N@@H+]2CCC[C@@H](C)CC2)c(O)c1OC ZINC000891822239 618318794 /nfs/dbraw/zinc/31/87/94/618318794.db2.gz UMWNFXJGDIFXNW-GFCCVEGCSA-N 1 0 279.380 3.031 20 10 CGCDRO COc1ccc(C[N@H+](C)CC2CCCC2)c(O)c1OC ZINC000891846879 618337459 /nfs/dbraw/zinc/33/74/59/618337459.db2.gz PSBMNNXXQYZTKQ-UHFFFAOYSA-N 1 0 279.380 3.031 20 10 CGCDRO COc1ccc(C[N@@H+]2CCC[C@H]2C(C)(C)C)c(O)c1OC ZINC000891914227 618381178 /nfs/dbraw/zinc/38/11/78/618381178.db2.gz VKMSBZBBXLOHBO-AWEZNQCLSA-N 1 0 293.407 3.420 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCN(C)c2ccccc2)c1 ZINC000184951981 625285024 /nfs/dbraw/zinc/28/50/24/625285024.db2.gz IJKGKWQKHMDJFV-HNNXBMFYSA-N 1 0 284.403 3.488 20 10 CGCDRO Oc1ccccc1C[NH2+]Cc1ccc(Cl)cc1F ZINC000157299727 618721128 /nfs/dbraw/zinc/72/11/28/618721128.db2.gz MEMJNWOAVABSAU-UHFFFAOYSA-N 1 0 265.715 3.475 20 10 CGCDRO OCC1([NH2+]Cc2ccc(N3CCCCC3)cc2)CCCC1 ZINC000053044820 618745725 /nfs/dbraw/zinc/74/57/25/618745725.db2.gz CVDGTVYKSWQPLU-UHFFFAOYSA-N 1 0 288.435 3.072 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCCC[C@H]2OC)c1O ZINC000278545115 618760905 /nfs/dbraw/zinc/76/09/05/618760905.db2.gz DAOIFYYZAQJGNH-CHWSQXEVSA-N 1 0 299.798 3.101 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@H](C)C2CCCCC2)c1 ZINC000052332956 618823906 /nfs/dbraw/zinc/82/39/06/618823906.db2.gz PJIRYVSIOSESIC-GFCCVEGCSA-N 1 0 263.381 3.459 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCC(F)(F)C2)cc1 ZINC000310880185 618874406 /nfs/dbraw/zinc/87/44/06/618874406.db2.gz WIJDLMAKNZMELZ-LBPRGKRZSA-N 1 0 254.324 3.030 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@H]1CCCSC1 ZINC000840892518 618925694 /nfs/dbraw/zinc/92/56/94/618925694.db2.gz ABGMCDYDPCJERC-ZBFHGGJFSA-N 1 0 292.492 3.477 20 10 CGCDRO CC[C@H](C)[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000181116322 619022385 /nfs/dbraw/zinc/02/23/85/619022385.db2.gz SLSKABZNNCWZPX-AWEZNQCLSA-N 1 0 262.397 3.006 20 10 CGCDRO CO[C@@H](C)C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000182333801 619035471 /nfs/dbraw/zinc/03/54/71/619035471.db2.gz PWVVEHZSUAQLJW-ZDUSSCGKSA-N 1 0 275.348 3.022 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2c(C)noc2C)c1 ZINC000092326814 619052978 /nfs/dbraw/zinc/05/29/78/619052978.db2.gz FSMBPJCCYWQGNM-NXEZZACHSA-N 1 0 290.363 3.417 20 10 CGCDRO CC[C@@H]1CC[C@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000310019115 619066427 /nfs/dbraw/zinc/06/64/27/619066427.db2.gz MIDSYXLVDCYSBA-BXKDBHETSA-N 1 0 284.197 3.433 20 10 CGCDRO CCc1nc(C)c(C[NH2+][C@H](C)c2cc(C)ccc2O)o1 ZINC000312456394 619078871 /nfs/dbraw/zinc/07/88/71/619078871.db2.gz XYOKYLRQKJPKQA-LLVKDONJSA-N 1 0 274.364 3.410 20 10 CGCDRO COc1cccc(C[NH2+]Cc2ccc(N(C)C)cc2)c1F ZINC000192662357 619120482 /nfs/dbraw/zinc/12/04/82/619120482.db2.gz AWSJMFVVRDXJJW-UHFFFAOYSA-N 1 0 288.366 3.190 20 10 CGCDRO C[C@H]([NH2+]CCCSc1nccs1)c1ccccn1 ZINC000159176470 619223077 /nfs/dbraw/zinc/22/30/77/619223077.db2.gz LYYMOSSOGUSBCM-NSHDSACASA-N 1 0 279.434 3.371 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CC[C@H]1CCO[C@@H](C)C1 ZINC000840940061 619231801 /nfs/dbraw/zinc/23/18/01/619231801.db2.gz VDQMMHPDYRIZQW-HOTGVXAUSA-N 1 0 290.451 3.356 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@H+]1CCCC[C@@H]1C[C@H](C)O ZINC000840940598 619232616 /nfs/dbraw/zinc/23/26/16/619232616.db2.gz HPBLLUGLXTYXDF-MAUKXSAKSA-N 1 0 290.451 3.186 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)CN(C)C(C)C)cc1 ZINC000314951434 619238931 /nfs/dbraw/zinc/23/89/31/619238931.db2.gz NWNIIBMLPBKALG-MRXNPFEDSA-N 1 0 291.483 3.351 20 10 CGCDRO CO[C@](C)([C@@H](C)[NH2+]Cc1ccc(N(C)C)c(F)c1)C1CC1 ZINC000840961277 619281169 /nfs/dbraw/zinc/28/11/69/619281169.db2.gz UEOWMRTXGVHKEB-SJKOYZFVSA-N 1 0 294.414 3.185 20 10 CGCDRO C[C@@H]1C[C@H](C[NH2+]C/C=C/c2ccc(N(C)C)cc2)[C@H](C)O1 ZINC000840963118 619282458 /nfs/dbraw/zinc/28/24/58/619282458.db2.gz IIGCFZWQXISNLP-FCTVBEEMSA-N 1 0 288.435 3.169 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)[C@H]1CCCO1 ZINC000246387816 619310522 /nfs/dbraw/zinc/31/05/22/619310522.db2.gz KNDRXOUVPAVUGB-XOKHGSTOSA-N 1 0 276.424 3.361 20 10 CGCDRO CC[N@H+](Cc1[nH]nc(C)c1C)Cc1ccc(N(C)C)cc1 ZINC000893872787 619325516 /nfs/dbraw/zinc/32/55/16/619325516.db2.gz VSVBWKWMCNMLHI-UHFFFAOYSA-N 1 0 286.423 3.115 20 10 CGCDRO CSc1ccc(C[N@H+](C)Cc2ccccc2O)o1 ZINC000893961643 619337589 /nfs/dbraw/zinc/33/75/89/619337589.db2.gz HTFFJLJQWNSMBV-UHFFFAOYSA-N 1 0 263.362 3.339 20 10 CGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@@H]1COC2(CCC2)C1 ZINC000894047050 619358788 /nfs/dbraw/zinc/35/87/88/619358788.db2.gz QNCHRKNAKXTGTL-INIZCTEOSA-N 1 0 274.408 3.073 20 10 CGCDRO COc1cc(C)cc(C[NH2+]Cc2ccc(F)c(C)c2)c1O ZINC000894162102 619396680 /nfs/dbraw/zinc/39/66/80/619396680.db2.gz XRWMIMLJALMYMQ-UHFFFAOYSA-N 1 0 289.350 3.447 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]Cc2ocnc2C)cc1 ZINC000894194986 619409104 /nfs/dbraw/zinc/40/91/04/619409104.db2.gz SOFNWFMQPXMNKP-UHFFFAOYSA-N 1 0 273.380 3.119 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@@H]2CC[C@@H](SC)C2)c1O ZINC000894312982 619486673 /nfs/dbraw/zinc/48/66/73/619486673.db2.gz PMLXNUPDUXELOY-CHWSQXEVSA-N 1 0 281.421 3.083 20 10 CGCDRO COc1cc(C)cc(C[NH2+]CC2CCC(OC)CC2)c1O ZINC000894323918 619491420 /nfs/dbraw/zinc/49/14/20/619491420.db2.gz RZEPOHSNQNOQGL-UHFFFAOYSA-N 1 0 293.407 3.004 20 10 CGCDRO COc1cccc(C[NH2+]Cc2cccc3c2NCCC3)c1O ZINC000894767267 619629779 /nfs/dbraw/zinc/62/97/79/619629779.db2.gz YRDDMZPSAXAKIJ-UHFFFAOYSA-N 1 0 298.386 3.049 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+](C)Cc2cccc(N(C)C)c2)c1 ZINC000093863594 619648106 /nfs/dbraw/zinc/64/81/06/619648106.db2.gz RMVLLEQNKQEGJE-UHFFFAOYSA-N 1 0 284.403 3.399 20 10 CGCDRO COc1ccc(C[NH2+]C[C@@](C)(O)CCC(C)C)cc1C ZINC000237243091 619756566 /nfs/dbraw/zinc/75/65/66/619756566.db2.gz CMBUDQITVIGHJV-KRWDZBQOSA-N 1 0 279.424 3.280 20 10 CGCDRO CC[C@@H](CCO)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000185527191 625370546 /nfs/dbraw/zinc/37/05/46/625370546.db2.gz GPMGDOPKLONGOJ-WFASDCNBSA-N 1 0 277.408 3.083 20 10 CGCDRO CO[C@@H](C[NH2+]Cc1cc(C)c(C)cc1O)CC(C)C ZINC000841888560 619815198 /nfs/dbraw/zinc/81/51/98/619815198.db2.gz LVNXCWSSVQWGJV-OAHLLOKOSA-N 1 0 265.397 3.160 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2cccc3c2NCCC3)c1 ZINC000895391944 619819924 /nfs/dbraw/zinc/81/99/24/619819924.db2.gz IEKAJTXFDLEVRH-UHFFFAOYSA-N 1 0 282.387 3.349 20 10 CGCDRO CC(C)([NH2+]Cc1cc(F)ccc1O)[C@@H](O)c1ccccc1 ZINC000895658460 619865626 /nfs/dbraw/zinc/86/56/26/619865626.db2.gz KMTQNNFQCKBPNC-INIZCTEOSA-N 1 0 289.350 3.133 20 10 CGCDRO CC[C@H]([NH2+]Cc1cc(C)cc(OC)c1O)[C@@H]1CCCOC1 ZINC000895663749 619866463 /nfs/dbraw/zinc/86/64/63/619866463.db2.gz MWVFKUNCMMXRNS-HIFRSBDPSA-N 1 0 293.407 3.004 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H]2CCC[C@]23CCCO3)c1O ZINC000895678715 619867439 /nfs/dbraw/zinc/86/74/39/619867439.db2.gz CJCDIAPRPJVGFO-WBVHZDCISA-N 1 0 275.392 3.146 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C1CCC2(COC2)CC1 ZINC000895695075 619872666 /nfs/dbraw/zinc/87/26/66/619872666.db2.gz REHSTGKVKXYUNL-UHFFFAOYSA-N 1 0 288.435 3.110 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2)c1 ZINC000896793642 620064222 /nfs/dbraw/zinc/06/42/22/620064222.db2.gz DLYZLIUEPOJPDW-ROUUACIJSA-N 1 0 294.398 3.164 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H]2CCS[C@@H](C)C2)c1O ZINC000896951336 620111615 /nfs/dbraw/zinc/11/16/15/620111615.db2.gz ICMWZXFVHYFVJE-SMDDNHRTSA-N 1 0 265.422 3.328 20 10 CGCDRO CCCCC[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000072981070 625399651 /nfs/dbraw/zinc/39/96/51/625399651.db2.gz ASYXSXXMCAZFDK-UHFFFAOYSA-N 1 0 276.424 3.145 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)[C@@H]1C[C@H]1C ZINC000840714123 620152400 /nfs/dbraw/zinc/15/24/00/620152400.db2.gz IQJHZSBWKSTHKW-JKIFEVAISA-N 1 0 290.476 3.374 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000897269359 620175920 /nfs/dbraw/zinc/17/59/20/620175920.db2.gz CTIKIEUWGVREGM-INIZCTEOSA-N 1 0 289.419 3.339 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@]23C[C@H]2COC32CCC2)cc1Cl ZINC000897389484 620281575 /nfs/dbraw/zinc/28/15/75/620281575.db2.gz WJMGPARLCLONRX-BLLLJJGKSA-N 1 0 293.794 3.155 20 10 CGCDRO COc1cccc(C[NH2+]CC[C@H]2CCC(C)(C)CO2)c1O ZINC000897477553 620345460 /nfs/dbraw/zinc/34/54/60/620345460.db2.gz BKBLPBAVRFYWMC-CQSZACIVSA-N 1 0 293.407 3.086 20 10 CGCDRO COc1ccc(N(C)CC[NH2+]C(C)(C)C)cc1Cl ZINC000841011930 620388280 /nfs/dbraw/zinc/38/82/80/620388280.db2.gz SPWORJZGWZJNTD-UHFFFAOYSA-N 1 0 270.804 3.173 20 10 CGCDRO CO[C@@H](C[NH2+][C@H](C)c1cc(C)ccc1O)CC(C)C ZINC000841755068 620398725 /nfs/dbraw/zinc/39/87/25/620398725.db2.gz GPVCYIAJZTUNNK-ZIAGYGMSSA-N 1 0 265.397 3.412 20 10 CGCDRO CCCCN(C)CC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000163500814 620403442 /nfs/dbraw/zinc/40/34/42/620403442.db2.gz ZYSGBSXCAMOJRV-HNNXBMFYSA-N 1 0 277.456 3.135 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H]2CCSC(C)(C)C2)c(O)c1 ZINC000897790336 620431724 /nfs/dbraw/zinc/43/17/24/620431724.db2.gz ULRCNJWOKOCESV-CYBMUJFWSA-N 1 0 265.422 3.464 20 10 CGCDRO CCc1cccc(C[NH2+]C2CC3(C2)COC(C)(C)C3)c1O ZINC000897970487 620450945 /nfs/dbraw/zinc/45/09/45/620450945.db2.gz KILXNTUZQYZTON-UHFFFAOYSA-N 1 0 289.419 3.392 20 10 CGCDRO CCC[C@H](O)CC[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000927013817 620561026 /nfs/dbraw/zinc/56/10/26/620561026.db2.gz ACQXXZPKJZIOAN-KGLIPLIRSA-N 1 0 265.397 3.211 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCN(C)[C@@H]1C)c1cc2c(cc1O)CCCC2 ZINC000903299638 621667827 /nfs/dbraw/zinc/66/78/27/621667827.db2.gz BXSPWOFFTKFWEO-AHIWAGSCSA-N 1 0 288.435 3.014 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CC[C@@H](O)C2CC2)c1O ZINC000903407652 621732338 /nfs/dbraw/zinc/73/23/38/621732338.db2.gz PJLQIXNGSXPWDW-QMTHXVAHSA-N 1 0 283.799 3.166 20 10 CGCDRO Cc1nc2ccccn2c1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000903422541 621751173 /nfs/dbraw/zinc/75/11/73/621751173.db2.gz OPLQXLGWQRDSON-AWEZNQCLSA-N 1 0 293.370 3.125 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@]3(CCOC3)C2)cc1C(C)C ZINC000151284736 622762405 /nfs/dbraw/zinc/76/24/05/622762405.db2.gz VBJWMLAAQIEAFN-GOSISDBHSA-N 1 0 289.419 3.436 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H]1CCCCO1)c1ccc(N(C)C)cc1 ZINC000156415631 622817155 /nfs/dbraw/zinc/81/71/55/622817155.db2.gz QMLBLLSUIQHLTI-IRXDYDNUSA-N 1 0 276.424 3.362 20 10 CGCDRO CCOC[C@H]1CCC[N@H+](Cc2cc(C)cc(C)c2O)C1 ZINC000164332944 622828110 /nfs/dbraw/zinc/82/81/10/622828110.db2.gz QZIIDVAASJWJLH-HNNXBMFYSA-N 1 0 277.408 3.258 20 10 CGCDRO CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(C)cc(C)c2O)C1 ZINC000164424369 622834984 /nfs/dbraw/zinc/83/49/84/622834984.db2.gz BVLVDDZUVNTWKS-MRXNPFEDSA-N 1 0 290.451 3.173 20 10 CGCDRO CC[N@H+](Cc1ccccn1)Cc1cc(C)cc(C)c1O ZINC000164471736 622836975 /nfs/dbraw/zinc/83/69/75/622836975.db2.gz PZFOHGOVMYEPAU-UHFFFAOYSA-N 1 0 270.376 3.426 20 10 CGCDRO Cc1cc(C[N@H+]2CCOC[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000046477895 622976116 /nfs/dbraw/zinc/97/61/16/622976116.db2.gz AQTVQAZHNCFBIF-CYBMUJFWSA-N 1 0 277.408 3.219 20 10 CGCDRO Cc1cccc(C[NH2+][C@H](Cn2ccnc2)C(C)(C)C)c1O ZINC000158117937 623007635 /nfs/dbraw/zinc/00/76/35/623007635.db2.gz RQHPOMUPXCOIFT-OAHLLOKOSA-N 1 0 287.407 3.102 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)CCSC)c1 ZINC000168788643 623014009 /nfs/dbraw/zinc/01/40/09/623014009.db2.gz QKVQMKRBZBUNQI-WDEREUQCSA-N 1 0 269.410 3.193 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+][C@H]2CCC[C@@H]2C)c1O ZINC000228673904 623069963 /nfs/dbraw/zinc/06/99/63/623069963.db2.gz PEKCGMRMHQCVBH-CABZTGNLSA-N 1 0 269.772 3.332 20 10 CGCDRO COc1ccc(O)c(C[NH2+]CC(C(C)C)C(C)C)c1 ZINC000229522035 623141726 /nfs/dbraw/zinc/14/17/26/623141726.db2.gz MJLRDAOOJBPQCN-UHFFFAOYSA-N 1 0 265.397 3.419 20 10 CGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cccc(OC)n1 ZINC000171859295 623194227 /nfs/dbraw/zinc/19/42/27/623194227.db2.gz MNSKQCFDEPTCJF-UHFFFAOYSA-N 1 0 299.418 3.178 20 10 CGCDRO C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000230150805 623213848 /nfs/dbraw/zinc/21/38/48/623213848.db2.gz UFGFZXJQHWHNMJ-MAUKXSAKSA-N 1 0 288.435 3.334 20 10 CGCDRO C[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000230659809 623261067 /nfs/dbraw/zinc/26/10/67/623261067.db2.gz PPEDMWQZUWBBGJ-WBVHZDCISA-N 1 0 288.435 3.049 20 10 CGCDRO COc1cc(C)cc(C[N@H+](C)Cc2cccc(F)c2)c1O ZINC000915808526 624032971 /nfs/dbraw/zinc/03/29/71/624032971.db2.gz XZIDYNBQNQFTGY-UHFFFAOYSA-N 1 0 289.350 3.480 20 10 CGCDRO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)C1CCOCC1 ZINC000154919959 624393033 /nfs/dbraw/zinc/39/30/33/624393033.db2.gz IROUJUVJBVXBGR-UHFFFAOYSA-N 1 0 276.424 3.142 20 10 CGCDRO COCCC[N@H+](C)Cc1cc(C(C)C)c(C)cc1O ZINC000921187377 624571920 /nfs/dbraw/zinc/57/19/20/624571920.db2.gz OKRLENSBIRFYTH-UHFFFAOYSA-N 1 0 265.397 3.292 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2c[nH]nc2C)cc1 ZINC000180161759 624724338 /nfs/dbraw/zinc/72/43/38/624724338.db2.gz HHWJSVGLIANALJ-ZDUSSCGKSA-N 1 0 286.423 3.415 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2nccn2C(C)C)c1 ZINC000182392961 624996288 /nfs/dbraw/zinc/99/62/88/624996288.db2.gz QPYWBPYUKZPBMA-LBPRGKRZSA-N 1 0 289.379 3.029 20 10 CGCDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000124573368 634428775 /nfs/dbraw/zinc/42/87/75/634428775.db2.gz GFZVNZNTYVLOJA-QMTHXVAHSA-N 1 0 279.355 3.497 20 10 CGCDRO C[C@H]([NH2+]C1Cc2ccccc2C1)c1cc(F)ccc1O ZINC000184008236 625191408 /nfs/dbraw/zinc/19/14/08/625191408.db2.gz RYRJVJRYGDCVAT-NSHDSACASA-N 1 0 271.335 3.349 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000184247167 625213200 /nfs/dbraw/zinc/21/32/00/625213200.db2.gz GSDQKDUPSVDMCT-SFHVURJKSA-N 1 0 297.398 3.226 20 10 CGCDRO COc1ccc(C[NH2+]CCCO[C@H]2CCCCO2)cc1C ZINC000922229374 625987280 /nfs/dbraw/zinc/98/72/80/625987280.db2.gz GLBMKJYZXRCGLA-KRWDZBQOSA-N 1 0 293.407 3.027 20 10 CGCDRO C[C@@H](C[NH2+]Cc1ccc2c(c1)CCCO2)c1ccccn1 ZINC000922234637 625987776 /nfs/dbraw/zinc/98/77/76/625987776.db2.gz LHNMCBYLFSPSTP-AWEZNQCLSA-N 1 0 282.387 3.300 20 10 CGCDRO O[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)c2ccccc21 ZINC000922246511 625989449 /nfs/dbraw/zinc/98/94/49/625989449.db2.gz RAYOQMPAPYPELQ-ZWKOTPCHSA-N 1 0 295.382 3.280 20 10 CGCDRO COc1cccc(O)c1C[NH2+]C[C@@]12C[C@@H]1CCCC2 ZINC000922426423 626004685 /nfs/dbraw/zinc/00/46/85/626004685.db2.gz KQQFKAYHDHKYGP-BLLLJJGKSA-N 1 0 261.365 3.071 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]C(C)(C)/C=C\Cl)c1 ZINC000922648538 626025435 /nfs/dbraw/zinc/02/54/35/626025435.db2.gz MZCCQYHCCYGPGB-FPLPWBNLSA-N 1 0 269.772 3.412 20 10 CGCDRO CC1(C)C[C@H](C[NH2+]Cc2ccc3c(c2)CCO3)C(C)(C)O1 ZINC000922951199 626106549 /nfs/dbraw/zinc/10/65/49/626106549.db2.gz KSFYSUVMOZXQNI-OAHLLOKOSA-N 1 0 289.419 3.305 20 10 CGCDRO COc1cccc(C[NH+]2CC(C3CCCC3)C2)c1O ZINC000839145198 626316931 /nfs/dbraw/zinc/31/69/31/626316931.db2.gz ZZVBUADSYAQAKV-UHFFFAOYSA-N 1 0 261.365 3.023 20 10 CGCDRO C[NH+](C)CCN(Cc1ccsc1)Cc1ccccc1O ZINC000839187226 626327445 /nfs/dbraw/zinc/32/74/45/626327445.db2.gz SIUFYFINOHDGET-UHFFFAOYSA-N 1 0 290.432 3.018 20 10 CGCDRO COCC[C@@H](Cc1ccco1)[NH2+][C@H](C)c1ccccc1O ZINC000753741313 626464258 /nfs/dbraw/zinc/46/42/58/626464258.db2.gz JWOKSVBLUSPLSQ-KGLIPLIRSA-N 1 0 289.375 3.284 20 10 CGCDRO CCC[C@@H](C)[N@H+](C)Cc1cc(C)cc(OC)c1O ZINC000754726523 626585054 /nfs/dbraw/zinc/58/50/54/626585054.db2.gz QJUTWZVHYTWWOE-GFCCVEGCSA-N 1 0 251.370 3.330 20 10 CGCDRO CCC[N@H+](Cc1ccccc1O)CC(C)(C)COC ZINC000756078727 626675214 /nfs/dbraw/zinc/67/52/14/626675214.db2.gz IOYUHYCUTIQOST-UHFFFAOYSA-N 1 0 265.397 3.277 20 10 CGCDRO CCN(CC)CC[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756354598 626695098 /nfs/dbraw/zinc/69/50/98/626695098.db2.gz FXBNLIRBUUKYMN-AAEUAGOBSA-N 1 0 280.387 3.011 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cccc(C)c1O)c1nccs1 ZINC000124834830 634517209 /nfs/dbraw/zinc/51/72/09/634517209.db2.gz FXMJACMRWNQGNL-GFCCVEGCSA-N 1 0 262.378 3.398 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1CCCCO1)c1cc2c(cc1O)CCCC2 ZINC000756456216 626706679 /nfs/dbraw/zinc/70/66/79/626706679.db2.gz MVIKUPDRIMCGMG-CZUORRHYSA-N 1 0 289.419 3.491 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCCO2)c2c1c(F)ccc2O ZINC000756457815 626706784 /nfs/dbraw/zinc/70/67/84/626706784.db2.gz UULSBQYMSCAOIJ-NQBHXWOUSA-N 1 0 279.355 3.238 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](CO)Cc2ccccc2)c(O)c1 ZINC000756460845 626706896 /nfs/dbraw/zinc/70/68/96/626706896.db2.gz UJVFYOCFBIFIIA-DOTOQJQBSA-N 1 0 299.414 3.202 20 10 CGCDRO CCN(CC[NH2+][C@@H](C)c1cc(C)ccc1O)C(C)C ZINC000756526173 626712109 /nfs/dbraw/zinc/71/21/09/626712109.db2.gz SYTSFKOTQMFBNO-AWEZNQCLSA-N 1 0 264.413 3.082 20 10 CGCDRO Cc1ccnc(C[N@H+](Cc2ccccc2O)C2CCCC2)n1 ZINC000756531079 626712552 /nfs/dbraw/zinc/71/25/52/626712552.db2.gz FMHKUDPFQCYZAU-UHFFFAOYSA-N 1 0 297.402 3.435 20 10 CGCDRO C[C@H]([NH2+]CCOCC1CC1)c1cc2c(cc1O)CCCC2 ZINC000756549529 626714189 /nfs/dbraw/zinc/71/41/89/626714189.db2.gz GGLTTWHTEZUTBG-ZDUSSCGKSA-N 1 0 289.419 3.348 20 10 CGCDRO CCc1cc(C[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)[nH]n1 ZINC000756571185 626716171 /nfs/dbraw/zinc/71/61/71/626716171.db2.gz CRRZUQOIZXTZBB-GFCCVEGCSA-N 1 0 299.418 3.407 20 10 CGCDRO CC[C@H](C)[C@H](O)C[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756575272 626717005 /nfs/dbraw/zinc/71/70/05/626717005.db2.gz OJNSDHKYRZLDMV-UZWIWUQPSA-N 1 0 281.371 3.076 20 10 CGCDRO CC[C@H]1CCCCN1CC[NH2+][C@H](C)c1cc(F)ccc1O ZINC000756577703 626717418 /nfs/dbraw/zinc/71/74/18/626717418.db2.gz ZSJWNEQWDVKWAA-HIFRSBDPSA-N 1 0 294.414 3.446 20 10 CGCDRO CC[C@H](C)[C@](C)(O)C[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756579080 626717541 /nfs/dbraw/zinc/71/75/41/626717541.db2.gz YUIMPIJASIRIHP-BWCYYRKRSA-N 1 0 295.398 3.466 20 10 CGCDRO CCCCN(C)CC[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000756578037 626717645 /nfs/dbraw/zinc/71/76/45/626717645.db2.gz VOSVHJYCBMQGTI-OAHLLOKOSA-N 1 0 278.440 3.392 20 10 CGCDRO COC[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)C(C)C ZINC000756599348 626719895 /nfs/dbraw/zinc/71/98/95/626719895.db2.gz ZPLUGISTUAQESV-GWCFXTLKSA-N 1 0 271.788 3.367 20 10 CGCDRO CC[C@H](C[C@H](C)CO)[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000756627134 626721085 /nfs/dbraw/zinc/72/10/85/626721085.db2.gz QXCJJJOMFLJOLF-NILFDRSVSA-N 1 0 279.424 3.457 20 10 CGCDRO COC(C)(C)C[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000756644367 626721980 /nfs/dbraw/zinc/72/19/80/626721980.db2.gz AWXBWKVZIMKCND-SECBINFHSA-N 1 0 257.761 3.121 20 10 CGCDRO C[C@@H]1CCN(CC[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)C1 ZINC000756630399 626722062 /nfs/dbraw/zinc/72/20/62/626722062.db2.gz VNYATTDLOMJFOS-BZPMIXESSA-N 1 0 292.398 3.011 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)Cc2ccncc2)c1 ZINC000756636348 626722799 /nfs/dbraw/zinc/72/27/99/626722799.db2.gz WYOHRCOYGLJGBL-KGLIPLIRSA-N 1 0 270.376 3.377 20 10 CGCDRO C[C@H]1C[C@H]([NH2+][C@H]2CC[C@H](CO)CC2)c2c1c(F)ccc2O ZINC000756644346 626724009 /nfs/dbraw/zinc/72/40/09/626724009.db2.gz ARQYGEGDEDQFPL-MNXVOIDGSA-N 1 0 293.382 3.220 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCNc2ccccc2)c1 ZINC000756643137 626724162 /nfs/dbraw/zinc/72/41/62/626724162.db2.gz RTRXIHTVIDGRFP-ZDUSSCGKSA-N 1 0 286.375 3.164 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC2CCC(OC)CC2)c1 ZINC000756642391 626724282 /nfs/dbraw/zinc/72/42/82/626724282.db2.gz NTUUNXBNMKIZBC-HSBZDZAISA-N 1 0 293.407 3.257 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCc2cnc(C)s2)c1 ZINC000756760785 626730253 /nfs/dbraw/zinc/73/02/53/626730253.db2.gz NWMGESGYRKSJAB-SNVBAGLBSA-N 1 0 292.404 3.059 20 10 CGCDRO CCC(CC)(CO)C[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000756771304 626730911 /nfs/dbraw/zinc/73/09/11/626730911.db2.gz UUUXVNXTQYRXRW-AWEZNQCLSA-N 1 0 279.424 3.458 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])c1ccc[nH]1 ZINC000756784456 626731918 /nfs/dbraw/zinc/73/19/18/626731918.db2.gz NLITVJYYRRXMJA-DTWKUNHWSA-N 1 0 266.291 3.410 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCOCC2)c2c1c(F)ccc2O ZINC000756788740 626732672 /nfs/dbraw/zinc/73/26/72/626732672.db2.gz CJWAKIVQTYLKJY-NTZNESFSSA-N 1 0 279.355 3.238 20 10 CGCDRO CO[C@@H]1[C@H](C)[C@H]([NH2+][C@H](C)c2cc(F)ccc2O)C1(C)C ZINC000756792103 626733264 /nfs/dbraw/zinc/73/32/64/626733264.db2.gz XQDQRBZFHXFSRZ-ZMRCNFHJSA-N 1 0 281.371 3.241 20 10 CGCDRO COc1ccc(N(CCC[NH3+])Cc2ccccc2)cc1 ZINC000020237540 634514254 /nfs/dbraw/zinc/51/42/54/634514254.db2.gz XYBIZLOLBZUMOT-UHFFFAOYSA-N 1 0 270.376 3.051 20 10 CGCDRO CC[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000840823242 626760799 /nfs/dbraw/zinc/76/07/99/626760799.db2.gz YPTUNJIQOCJXDK-IUPBHXKESA-N 1 0 269.772 3.264 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCCOC2)c(O)c1C ZINC000757636889 626795882 /nfs/dbraw/zinc/79/58/82/626795882.db2.gz KGLNSUCJEQIMOA-ILXRZTDVSA-N 1 0 277.408 3.475 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])[C@@H]1CCCOC1 ZINC000757635913 626795963 /nfs/dbraw/zinc/79/59/63/626795963.db2.gz BRBBRYSLOWBOGO-OUAUKWLOSA-N 1 0 285.334 3.136 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCOC2)c2c1c(F)ccc2O ZINC000757658917 626798357 /nfs/dbraw/zinc/79/83/57/626798357.db2.gz VJDLZNFGPHVPGH-MDZLAQPJSA-N 1 0 279.355 3.096 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C2CC(OC(C)(C)C)C2)c1 ZINC000757662503 626799000 /nfs/dbraw/zinc/79/90/00/626799000.db2.gz GMNYYHDODARYAI-DCBWTQNWSA-N 1 0 293.407 3.398 20 10 CGCDRO CC(C)(C[NH2+]Cc1ccccc1O)[C@H]1CCCCO1 ZINC000758499806 626846378 /nfs/dbraw/zinc/84/63/78/626846378.db2.gz VEDNRVFDIMJFBS-OAHLLOKOSA-N 1 0 263.381 3.077 20 10 CGCDRO CCCCCC[C@H](O)C[N@H+](C)Cc1ccccc1O ZINC000759391382 626893575 /nfs/dbraw/zinc/89/35/75/626893575.db2.gz XTNSVEQYINLXTI-HNNXBMFYSA-N 1 0 265.397 3.155 20 10 CGCDRO CC[C@H]([NH2+][C@H](CO)CC(F)F)c1cc(Cl)ccc1O ZINC000760040579 626937232 /nfs/dbraw/zinc/93/72/32/626937232.db2.gz SQJYEWQDLNJALK-ONGXEEELSA-N 1 0 293.741 3.102 20 10 CGCDRO C[C@H]1C[C@@H]([NH2+]CCOCC2CCC2)c2c1c(F)ccc2O ZINC000765805907 627271996 /nfs/dbraw/zinc/27/19/96/627271996.db2.gz ALEFERYAAVSPKX-SMDDNHRTSA-N 1 0 293.382 3.486 20 10 CGCDRO CC[C@@H]([NH2+]CCOCC1CC1)c1ccc(N(C)C)cc1 ZINC000765868036 627275872 /nfs/dbraw/zinc/27/58/72/627275872.db2.gz ODFFAUQQZVVTTO-QGZVFWFLSA-N 1 0 276.424 3.220 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@]2(C)CCOC2)cc1 ZINC000765957818 627281109 /nfs/dbraw/zinc/28/11/09/627281109.db2.gz KBZAPPPJPJNTKK-RHSMWYFYSA-N 1 0 276.424 3.220 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@H]1c1cccn1C ZINC000768196425 627468336 /nfs/dbraw/zinc/46/83/36/627468336.db2.gz CYRRRXPNILNXJJ-OAHLLOKOSA-N 1 0 286.375 3.076 20 10 CGCDRO COc1cc(C[N@H+](CC2CC2)C(C)C)c(O)cc1C ZINC000768440452 627480882 /nfs/dbraw/zinc/48/08/82/627480882.db2.gz WHGFVYKYXUGTLX-UHFFFAOYSA-N 1 0 263.381 3.330 20 10 CGCDRO CCOc1ccc(O)c(C[N@H+](CCOC)C2CCCC2)c1 ZINC000768580111 627487947 /nfs/dbraw/zinc/48/79/47/627487947.db2.gz IJKUUOROVQTZED-UHFFFAOYSA-N 1 0 293.407 3.182 20 10 CGCDRO CC[C@@H]1COCC[N@@H+]1Cc1ccc(N(CC)CC)cc1 ZINC000768882157 627505983 /nfs/dbraw/zinc/50/59/83/627505983.db2.gz RJQUUMYJKNQYHK-MRXNPFEDSA-N 1 0 276.424 3.144 20 10 CGCDRO Oc1cccc(Cl)c1C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000769003784 627515222 /nfs/dbraw/zinc/51/52/22/627515222.db2.gz JSHVFUNRXBSWLN-UHFFFAOYSA-N 1 0 291.782 3.148 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)C2Cc3ccccc3C2)cc1F ZINC000769034448 627519022 /nfs/dbraw/zinc/51/90/22/627519022.db2.gz QCVSBKVJXCMJHY-UHFFFAOYSA-N 1 0 298.405 3.491 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCCC2(C)C)cc1F ZINC000769246266 627533222 /nfs/dbraw/zinc/53/32/22/627533222.db2.gz YWUXCNWPZKPZEE-UHFFFAOYSA-N 1 0 250.361 3.266 20 10 CGCDRO CCCC[N@H+](CCOC)Cc1ccc(OCC)cc1O ZINC000769389196 627547564 /nfs/dbraw/zinc/54/75/64/627547564.db2.gz LCNOEVWSVNOHSC-UHFFFAOYSA-N 1 0 281.396 3.039 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CCOC[C@H]2CC(C)C)c(O)c1 ZINC000769399377 627548475 /nfs/dbraw/zinc/54/84/75/627548475.db2.gz PQLZYNJGYURZHK-OAHLLOKOSA-N 1 0 293.407 3.038 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CCS[C@H](C)[C@H]2C)c(O)c1 ZINC000769445575 627552859 /nfs/dbraw/zinc/55/28/59/627552859.db2.gz GUFZBRUUUHZWOD-VXGBXAGGSA-N 1 0 281.421 3.117 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000769485675 627559514 /nfs/dbraw/zinc/55/95/14/627559514.db2.gz NNDNXRAEMNCQEU-INIZCTEOSA-N 1 0 295.810 3.438 20 10 CGCDRO CC[C@]1(C)CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000769519262 627562601 /nfs/dbraw/zinc/56/26/01/627562601.db2.gz NRJZAWSGENUKGS-GOSISDBHSA-N 1 0 288.435 3.145 20 10 CGCDRO C[C@H]1C[C@H]([NH2+]CC2(CO)CCCC2)c2c1c(F)ccc2O ZINC000769995762 627596207 /nfs/dbraw/zinc/59/62/07/627596207.db2.gz KRGNODXIFAUYGE-AAEUAGOBSA-N 1 0 293.382 3.222 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)CC12CCC2 ZINC000770671032 627636290 /nfs/dbraw/zinc/63/62/90/627636290.db2.gz WMBGPSCWTGMZHS-GFCCVEGCSA-N 1 0 289.375 3.133 20 10 CGCDRO CCOc1ccc(C[NH2+][C@@H]2CCO[C@@H](C(C)C)C2)c(O)c1 ZINC000771891083 627742011 /nfs/dbraw/zinc/74/20/11/627742011.db2.gz XXHKTIGZEDUULI-RHSMWYFYSA-N 1 0 293.407 3.084 20 10 CGCDRO CCC[N@@H+](Cc1ccc(OCC)cc1O)CC1CC1 ZINC000771925067 627745035 /nfs/dbraw/zinc/74/50/35/627745035.db2.gz WFQYWUVNWRVQKJ-UHFFFAOYSA-N 1 0 263.381 3.413 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@H](OCC(C)C)C2)cc1 ZINC000773766737 627913633 /nfs/dbraw/zinc/91/36/33/627913633.db2.gz VBQHIWDZWPHEFH-GOSISDBHSA-N 1 0 290.451 3.390 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CC2(Cl)Cl)c1 ZINC000775370462 628086171 /nfs/dbraw/zinc/08/61/71/628086171.db2.gz NITZKNFISJUOHC-IUCAKERBSA-N 1 0 290.190 3.245 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H]1CCOC1)c1cc(Cl)ccc1O ZINC000775489758 628100104 /nfs/dbraw/zinc/10/01/04/628100104.db2.gz RUYUSUHKCJGPJO-GWCFXTLKSA-N 1 0 269.772 3.123 20 10 CGCDRO CC[C@@H]([NH2+]CCN(C)C(C)C)c1cc(Cl)ccc1O ZINC000775499834 628101083 /nfs/dbraw/zinc/10/10/83/628101083.db2.gz FWKYREGKENECBU-CQSZACIVSA-N 1 0 284.831 3.427 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](O)C(C)C)c1cc(Cl)ccc1O ZINC000775508817 628102367 /nfs/dbraw/zinc/10/23/67/628102367.db2.gz XNBIZSLCAKAWIW-GXTWGEPZSA-N 1 0 271.788 3.103 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H](O)C(C)C)c1cc(Cl)ccc1O ZINC000775508819 628102559 /nfs/dbraw/zinc/10/25/59/628102559.db2.gz XNBIZSLCAKAWIW-OCCSQVGLSA-N 1 0 271.788 3.103 20 10 CGCDRO Cc1cc(Cl)cc(C[N@H+](C)C[C@H]2CCCCO2)c1O ZINC000775661959 628122272 /nfs/dbraw/zinc/12/22/72/628122272.db2.gz SJFVAKNJDIGEEB-CQSZACIVSA-N 1 0 283.799 3.355 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CCCC[C@H](C)C2)c1 ZINC000775998788 628156853 /nfs/dbraw/zinc/15/68/53/628156853.db2.gz SQBBMWVYBIPEFS-ZDUSSCGKSA-N 1 0 263.381 3.413 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCOCC3(CCCC3)C2)cc1 ZINC000776017228 628158388 /nfs/dbraw/zinc/15/83/88/628158388.db2.gz LKIBITVFXBFNFV-UHFFFAOYSA-N 1 0 288.435 3.145 20 10 CGCDRO Cc1cccc(C[NH2+]Cc2ccc3c(c2)COC3)c1O ZINC000776250611 628184493 /nfs/dbraw/zinc/18/44/93/628184493.db2.gz JCLIUJBBINGKLP-UHFFFAOYSA-N 1 0 269.344 3.021 20 10 CGCDRO CCc1cnccc1[C@H](C)[NH2+]Cc1cc(OC)ccc1O ZINC000776255239 628185397 /nfs/dbraw/zinc/18/53/97/628185397.db2.gz AGZHQDYVWMTGTJ-LBPRGKRZSA-N 1 0 286.375 3.209 20 10 CGCDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]Cc2cc(C)c(C)cc2O)C1(C)C ZINC000776497251 628214199 /nfs/dbraw/zinc/21/41/99/628214199.db2.gz DBQHUVICSNFUOV-DAXOMENPSA-N 1 0 277.408 3.158 20 10 CGCDRO CC(C)[C@@H]1C[C@@H](C[NH2+]Cc2ccc(N(C)C)cc2)CCO1 ZINC000778626287 628361818 /nfs/dbraw/zinc/36/18/18/628361818.db2.gz DJWJRMTZIRHFLW-WMZOPIPTSA-N 1 0 290.451 3.293 20 10 CGCDRO C[N@H+](Cc1ccsc1)Cc1cc(F)ccc1O ZINC000778994814 628381722 /nfs/dbraw/zinc/38/17/22/628381722.db2.gz NHOVGABIBWNCEM-UHFFFAOYSA-N 1 0 251.326 3.225 20 10 CGCDRO Oc1ccc(F)cc1C[N@@H+]1CCOC2(C1)CCCCCC2 ZINC000779026124 628384380 /nfs/dbraw/zinc/38/43/80/628384380.db2.gz TVBYIBIGVMCBGI-UHFFFAOYSA-N 1 0 293.382 3.457 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc(F)cn1 ZINC000779044921 628385286 /nfs/dbraw/zinc/38/52/86/628385286.db2.gz HSSBLPRBCLARJH-HNNXBMFYSA-N 1 0 286.350 3.397 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000779072310 628386754 /nfs/dbraw/zinc/38/67/54/628386754.db2.gz HPTZWNBRROBYNN-UHFFFAOYSA-N 1 0 275.298 3.449 20 10 CGCDRO C[C@H]([NH2+]C1(C(=O)Nc2ccccc2)CC1)c1ccccc1O ZINC000779082165 628387667 /nfs/dbraw/zinc/38/76/67/628387667.db2.gz JFQAVJCCTVTDCU-ZDUSSCGKSA-N 1 0 296.370 3.214 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000779102710 628388564 /nfs/dbraw/zinc/38/85/64/628388564.db2.gz AQDJRKMWACBWGN-BNOWGMLFSA-N 1 0 299.436 3.001 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000779102715 628388902 /nfs/dbraw/zinc/38/89/02/628388902.db2.gz AQDJRKMWACBWGN-MRVWCRGKSA-N 1 0 299.436 3.001 20 10 CGCDRO C[C@@H]1CC(C)(C)C[C@](CO)([NH2+]Cc2cc(F)ccc2O)C1 ZINC000779119633 628389225 /nfs/dbraw/zinc/38/92/25/628389225.db2.gz DLZJACYVIMKGKH-SJKOYZFVSA-N 1 0 295.398 3.198 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)Cc2cnoc2C)cc1 ZINC000782475260 628649187 /nfs/dbraw/zinc/64/91/87/628649187.db2.gz YJEGFFDXTIRNSO-UHFFFAOYSA-N 1 0 287.407 3.461 20 10 CGCDRO C[C@H]([NH2+]CCC[C@@H]1CCCC[C@@H]1O)c1ccccc1O ZINC000783520185 628720599 /nfs/dbraw/zinc/72/05/99/628720599.db2.gz YXFNOZICJSGUDY-DZKIICNBSA-N 1 0 277.408 3.374 20 10 CGCDRO C[C@H](c1ccccc1)[C@H](CO)[NH2+][C@@H](C)c1ccccc1O ZINC000783522944 628721402 /nfs/dbraw/zinc/72/14/02/628721402.db2.gz SSSRBUZBKNAXMJ-KEYYUXOJSA-N 1 0 285.387 3.207 20 10 CGCDRO C[C@H](Nc1cnn(-c2cc[nH+]cc2)c1)c1ccccc1O ZINC000783529455 628722770 /nfs/dbraw/zinc/72/27/70/628722770.db2.gz UTGBXGZBQDQRKO-LBPRGKRZSA-N 1 0 280.331 3.146 20 10 CGCDRO CC1([NH2+]Cc2ccccc2O)CCC(F)(F)CC1 ZINC000784621789 628825836 /nfs/dbraw/zinc/82/58/36/628825836.db2.gz OHASNOBEUBLNTE-UHFFFAOYSA-N 1 0 255.308 3.450 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](CCO)C2CCC2)cc1F ZINC000784674362 628828984 /nfs/dbraw/zinc/82/89/84/628828984.db2.gz ZKGHNWYRRROOAT-UHFFFAOYSA-N 1 0 294.414 3.019 20 10 CGCDRO C[N@@H+](Cc1ccccc1O)C[C@H]1CCC2(CCCC2)O1 ZINC000788494679 629059332 /nfs/dbraw/zinc/05/93/32/629059332.db2.gz REICYSXYLQFXNO-OAHLLOKOSA-N 1 0 275.392 3.316 20 10 CGCDRO C[C@H]1CC[C@@H](C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)O1 ZINC000789310337 629122909 /nfs/dbraw/zinc/12/29/09/629122909.db2.gz QQANSLVRCLYVTH-KSSFIOAISA-N 1 0 288.435 3.285 20 10 CGCDRO CCCN(Cc1ccnc(F)c1)c1ccc(C[NH3+])cc1 ZINC000862348192 629346412 /nfs/dbraw/zinc/34/64/12/629346412.db2.gz FNXIIJYKQNOHNM-UHFFFAOYSA-N 1 0 273.355 3.096 20 10 CGCDRO COCC[N@H+](Cc1ccc(N(C)C)cc1)[C@@H]1CC[C@H](C)C1 ZINC000792192129 629346739 /nfs/dbraw/zinc/34/67/39/629346739.db2.gz DMHYNSICWAYVBD-MAUKXSAKSA-N 1 0 290.451 3.390 20 10 CGCDRO COCC[N@H+](Cc1cccc(C)c1O)[C@@H]1CC[C@@H](C)C1 ZINC000792193160 629347908 /nfs/dbraw/zinc/34/79/08/629347908.db2.gz RJRSIYRTKQGJRG-CZUORRHYSA-N 1 0 277.408 3.338 20 10 CGCDRO COCC[N@H+](Cc1cc(F)ccc1O)[C@@H]1CC[C@@H](C)C1 ZINC000792193369 629348019 /nfs/dbraw/zinc/34/80/19/629348019.db2.gz UGEMSEPBASZKTI-IUODEOHRSA-N 1 0 281.371 3.168 20 10 CGCDRO COC[C@@H]1CCCC[N@@H+]1Cc1cc(F)c(N(C)C)cc1F ZINC000862390130 629360077 /nfs/dbraw/zinc/36/00/77/629360077.db2.gz BDNURPLQWAWBAR-ZDUSSCGKSA-N 1 0 298.377 3.032 20 10 CGCDRO COC1(C[C@H](C)[NH2+]Cc2cc(C)ccc2O)CCC1 ZINC000862476943 629383522 /nfs/dbraw/zinc/38/35/22/629383522.db2.gz ACPCBLAOKKIHNS-ZDUSSCGKSA-N 1 0 263.381 3.138 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)cc1Cl ZINC000862516883 629390176 /nfs/dbraw/zinc/39/01/76/629390176.db2.gz ANIUTYZCCZROFV-DDIVZENXSA-N 1 0 283.799 3.256 20 10 CGCDRO CC(C)[C@@H]1CCCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000118964173 629408268 /nfs/dbraw/zinc/40/82/68/629408268.db2.gz WKZDMIYSQNAEOI-ZDUSSCGKSA-N 1 0 277.364 3.131 20 10 CGCDRO COc1ccc(O)c(C[NH2+]CC2(OC)CCC(C)CC2)c1 ZINC000793292162 629440590 /nfs/dbraw/zinc/44/05/90/629440590.db2.gz ZDBKBDHMXVNQSQ-UHFFFAOYSA-N 1 0 293.407 3.086 20 10 CGCDRO C[N@H+](Cc1cc2c(cc1O)OCO2)[C@@H]1CCC(C)(C)C1 ZINC000793352749 629446760 /nfs/dbraw/zinc/44/67/60/629446760.db2.gz NFESZUAOSKOOQF-GFCCVEGCSA-N 1 0 277.364 3.131 20 10 CGCDRO COc1ccc(C[NH2+]Cc2cc(C)c(C)cc2O)c(O)c1 ZINC000793388819 629452642 /nfs/dbraw/zinc/45/26/42/629452642.db2.gz JBWNANXQWSWQNP-UHFFFAOYSA-N 1 0 287.359 3.013 20 10 CGCDRO COc1ccc(C[NH2+]Cc2cc(F)cc(Cl)c2)c(O)c1 ZINC000793389056 629452695 /nfs/dbraw/zinc/45/26/95/629452695.db2.gz USYQFGHLRRFNND-UHFFFAOYSA-N 1 0 295.741 3.483 20 10 CGCDRO COc1ccc(C[NH2+]Cc2ccc(F)cc2Cl)c(O)c1 ZINC000793389112 629453176 /nfs/dbraw/zinc/45/31/76/629453176.db2.gz WIFKGGRMJOWBFX-UHFFFAOYSA-N 1 0 295.741 3.483 20 10 CGCDRO CCOC1(C)CC[NH+](Cc2cc3c(cc2O)CCC3)CC1 ZINC000793544751 629481001 /nfs/dbraw/zinc/48/10/01/629481001.db2.gz APEOPHFPSIYKJT-UHFFFAOYSA-N 1 0 289.419 3.272 20 10 CGCDRO CC[C@H]([NH2+]CCCCn1ccnc1)c1ccc(C)cc1O ZINC000794796412 629577419 /nfs/dbraw/zinc/57/74/19/629577419.db2.gz KIRZOMXNWBFHFC-INIZCTEOSA-N 1 0 287.407 3.418 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H](OC)C(F)(F)F)c1ccc(C)cc1O ZINC000794815427 629581671 /nfs/dbraw/zinc/58/16/71/629581671.db2.gz UVOSFFBJCDHPTJ-DGCLKSJQSA-N 1 0 291.313 3.319 20 10 CGCDRO CC[C@H]([NH2+]Cc1cccnc1F)c1ccccc1O ZINC000794838254 629586020 /nfs/dbraw/zinc/58/60/20/629586020.db2.gz YADIFCMOIHKHPT-ZDUSSCGKSA-N 1 0 260.312 3.167 20 10 CGCDRO C[C@H](N[C@@H]1CC[C@@H](C)[NH2+]C1)c1cc2c(cc1O)CCCC2 ZINC000863546681 629603938 /nfs/dbraw/zinc/60/39/38/629603938.db2.gz MVRVIHNMCHEBDS-DVOMOZLQSA-N 1 0 288.435 3.062 20 10 CGCDRO Oc1cc2c(cc1C[N@@H+]1CCCC[C@H]1c1cc[nH]n1)CCC2 ZINC000795673051 629708504 /nfs/dbraw/zinc/70/85/04/629708504.db2.gz RAZFZHREJKVXNH-KRWDZBQOSA-N 1 0 297.402 3.331 20 10 CGCDRO CCCN1CCC[C@H]1C[NH2+]Cc1c(O)cccc1Cl ZINC000796524087 629795018 /nfs/dbraw/zinc/79/50/18/629795018.db2.gz YAQJSLGCDCPHTC-LBPRGKRZSA-N 1 0 282.815 3.010 20 10 CGCDRO Cc1ccc([C@H](O)[C@H](C)[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC000797056331 629879137 /nfs/dbraw/zinc/87/91/37/629879137.db2.gz BJNZODSOEWODHJ-SUNYJGFJSA-N 1 0 285.387 3.473 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C[C@H](CO)CC2CCCC2)cc1 ZINC000798504100 630060736 /nfs/dbraw/zinc/06/07/36/630060736.db2.gz VDADWRYKVMEQSP-QGZVFWFLSA-N 1 0 290.451 3.031 20 10 CGCDRO Fc1cc(C[NH2+]Cc2ccc3c(c2)CCO3)cnc1Cl ZINC000865440615 630125556 /nfs/dbraw/zinc/12/55/56/630125556.db2.gz LAXYFOZPXRBSMZ-UHFFFAOYSA-N 1 0 292.741 3.099 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](c3ccccn3)C2)c1 ZINC000798965609 630131584 /nfs/dbraw/zinc/13/15/84/630131584.db2.gz VJSGHRNLOMHNPD-AWEZNQCLSA-N 1 0 298.386 3.175 20 10 CGCDRO CC[C@@H]1C[N@H+](Cc2cc3c(cc2O)CCCC3)CCCO1 ZINC000799161553 630151179 /nfs/dbraw/zinc/15/11/79/630151179.db2.gz ASVWOXKZXJZMTO-QGZVFWFLSA-N 1 0 289.419 3.272 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H](CCO)Cc2ccccc2)cc1C ZINC000799350660 630173745 /nfs/dbraw/zinc/17/37/45/630173745.db2.gz VUAQCFHKPGNFHF-GOSISDBHSA-N 1 0 299.414 3.092 20 10 CGCDRO CO[C@H]1CCCC[C@@H]1[NH2+][C@H](C)c1cc(F)ccc1O ZINC000799729886 630225910 /nfs/dbraw/zinc/22/59/10/630225910.db2.gz UXAXPXPQDIYTOB-DGFSRKRXSA-N 1 0 267.344 3.140 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](CCO)Cc2ccccc2)c(O)c1 ZINC000799731080 630226903 /nfs/dbraw/zinc/22/69/03/630226903.db2.gz LORXTLPGEFZFLI-RDJZCZTQSA-N 1 0 299.414 3.345 20 10 CGCDRO COCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N(C)C)cc1C ZINC000800478491 630284244 /nfs/dbraw/zinc/28/42/44/630284244.db2.gz IZVILUSTZMNCDI-MAUKXSAKSA-N 1 0 290.451 3.356 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCC12CCOCC2 ZINC000800478262 630284348 /nfs/dbraw/zinc/28/43/48/630284348.db2.gz BOYVIERXEMVYDU-QGZVFWFLSA-N 1 0 288.435 3.110 20 10 CGCDRO Cc1cc([C@H](C)[NH2+]CCCSc2nccs2)nn1C ZINC000800479967 630285153 /nfs/dbraw/zinc/28/51/53/630285153.db2.gz LFQGMUGCUFHRLI-NSHDSACASA-N 1 0 296.465 3.018 20 10 CGCDRO CCCC[N@H+](CCC[C@H](C)O)Cc1ccccc1O ZINC000801595153 630346326 /nfs/dbraw/zinc/34/63/26/630346326.db2.gz WNQFDIVJCBLEKG-AWEZNQCLSA-N 1 0 265.397 3.155 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H]2CCc3ccccc3OC2)c1O ZINC000802655358 630402967 /nfs/dbraw/zinc/40/29/67/630402967.db2.gz VMPULRJPKTWTRL-MRXNPFEDSA-N 1 0 283.371 3.184 20 10 CGCDRO CC[C@H]([NH2+]C[C@H](CO)C(C)C)c1ccc(N(C)C)cc1 ZINC000806170175 630552898 /nfs/dbraw/zinc/55/28/98/630552898.db2.gz WNWPTNVGMUEOSE-WBVHZDCISA-N 1 0 278.440 3.058 20 10 CGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@H](F)C3)c2c1 ZINC000840103779 630595003 /nfs/dbraw/zinc/59/50/03/630595003.db2.gz FOSAHVFEUAIDBB-LBPRGKRZSA-N 1 0 275.323 3.098 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CCC2(F)CCC2)cc1F ZINC000808427178 630643696 /nfs/dbraw/zinc/64/36/96/630643696.db2.gz LDXGRNYXRYPKCP-UHFFFAOYSA-N 1 0 268.351 3.264 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](O)c2ccco2)c1O ZINC000808674782 630663050 /nfs/dbraw/zinc/66/30/50/630663050.db2.gz YEPOXWHRCQFHAK-ZWNOBZJWSA-N 1 0 295.766 3.331 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)C[C@H](O)C(C)(C)C)cc1 ZINC000808706746 630667925 /nfs/dbraw/zinc/66/79/25/630667925.db2.gz STMGGDJLKSVUHC-KRWDZBQOSA-N 1 0 292.467 3.372 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H]2CC[C@@H](O)C2)c1O ZINC000808715977 630669937 /nfs/dbraw/zinc/66/99/37/630669937.db2.gz PCADVBJNDVDTBH-GMXVVIOVSA-N 1 0 283.799 3.166 20 10 CGCDRO Cc1noc([C@@H]2CCCC[N@@H+]2Cc2cccc(C)c2O)n1 ZINC000809718885 630791265 /nfs/dbraw/zinc/79/12/65/630791265.db2.gz QZJNJEPTZNVLKW-AWEZNQCLSA-N 1 0 287.363 3.119 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)[C@@H](CO)CC(C)C)cc1 ZINC000809766921 630801867 /nfs/dbraw/zinc/80/18/67/630801867.db2.gz CBAHNDZYUSPMDY-GOSISDBHSA-N 1 0 292.467 3.372 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](C3CC3)C2)c1 ZINC000809786931 630809028 /nfs/dbraw/zinc/80/90/28/630809028.db2.gz OQPDAJUJGHTTGM-AWEZNQCLSA-N 1 0 275.392 3.413 20 10 CGCDRO Cc1cccc2c1OC[C@H]([NH2+]Cc1ccc(N(C)C)cc1)C2 ZINC000810178775 630851091 /nfs/dbraw/zinc/85/10/91/630851091.db2.gz VVNIVZNKCPUCMI-QGZVFWFLSA-N 1 0 296.414 3.154 20 10 CGCDRO CC[C@@H]([NH2+][C@H](C)CCO)c1ccc(C(F)(F)F)cc1O ZINC000810219576 630855740 /nfs/dbraw/zinc/85/57/40/630855740.db2.gz TYQBHNISCDUXLQ-BXKDBHETSA-N 1 0 291.313 3.223 20 10 CGCDRO CC[C@@H](C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O)OC ZINC000810257531 630860498 /nfs/dbraw/zinc/86/04/98/630860498.db2.gz CLBIOGIOWSTBGP-JQWIXIFHSA-N 1 0 271.788 3.430 20 10 CGCDRO CCCN(CC)C[C@@H](C)[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000810261277 630861072 /nfs/dbraw/zinc/86/10/72/630861072.db2.gz IUAKAQZYUWNTLT-CABCVRRESA-N 1 0 278.440 3.472 20 10 CGCDRO CC[C@H]([NH2+][C@@H](CO)C1CCCC1)c1ccc(C)cc1O ZINC000810259989 630861400 /nfs/dbraw/zinc/86/14/00/630861400.db2.gz ZKIFZOLRMIIKDP-HOTGVXAUSA-N 1 0 277.408 3.292 20 10 CGCDRO CC[C@@H]([NH2+]CCC1(COC)CC1)c1ccccc1O ZINC000842890755 635505846 /nfs/dbraw/zinc/50/58/46/635505846.db2.gz KZDQHELSASKHDI-CQSZACIVSA-N 1 0 263.381 3.250 20 10 CGCDRO COc1ccc(C[NH2+]C[C@@H]2CC(C)=C[C@H](C)C2)c(O)c1 ZINC000811499119 631076502 /nfs/dbraw/zinc/07/65/02/631076502.db2.gz IZJPFBQWMOEYNP-JSGCOSHPSA-N 1 0 275.392 3.483 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CCC(F)(F)[C@H](C)C2)c(O)c1 ZINC000811512278 631080435 /nfs/dbraw/zinc/08/04/35/631080435.db2.gz JZEYRWNBAJZUKK-LLVKDONJSA-N 1 0 285.334 3.268 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC(F)(F)[C@H](C)C2)c1 ZINC000811781132 631119679 /nfs/dbraw/zinc/11/96/79/631119679.db2.gz UZKBRLCYARXNCS-GFCCVEGCSA-N 1 0 269.335 3.486 20 10 CGCDRO CO[C@](C)(C[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F)C1CC1 ZINC000812734026 631299037 /nfs/dbraw/zinc/29/90/37/631299037.db2.gz FVUAYXKYIBVQGY-SIMVJXQJSA-N 1 0 293.382 3.484 20 10 CGCDRO CC1(C)[C@@H](O)CC[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000812778066 631307163 /nfs/dbraw/zinc/30/71/63/631307163.db2.gz AQBOEEIGXXNSIV-SFHVURJKSA-N 1 0 297.398 3.404 20 10 CGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)CC1(COC)CCC1 ZINC000812822788 631320167 /nfs/dbraw/zinc/32/01/67/631320167.db2.gz FPPUNOIKBQCYTB-UHFFFAOYSA-N 1 0 290.451 3.391 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000876534902 634853045 /nfs/dbraw/zinc/85/30/45/634853045.db2.gz HZBSMTYADMJNCC-LLVKDONJSA-N 1 0 273.298 3.475 20 10 CGCDRO CC[C@]1(C)COCC[N@@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000815078805 631712443 /nfs/dbraw/zinc/71/24/43/631712443.db2.gz GYIHTWDHIIMAME-QGZVFWFLSA-N 1 0 276.424 3.062 20 10 CGCDRO Cc1cc(C[N@@H+]2CCC[C@H](OC(F)F)C2)ccc1N(C)C ZINC000815085896 631713610 /nfs/dbraw/zinc/71/36/10/631713610.db2.gz FDSWPONGARNZBD-AWEZNQCLSA-N 1 0 298.377 3.265 20 10 CGCDRO Cc1cc(C[NH2+][C@@H]2Cc3cccc(O)c3C2)ccc1N(C)C ZINC000815102192 631717552 /nfs/dbraw/zinc/71/75/52/631717552.db2.gz FZAJUXKMOQAPHC-MRXNPFEDSA-N 1 0 296.414 3.024 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCc2ccco2)c(O)c1 ZINC000815553649 631793644 /nfs/dbraw/zinc/79/36/44/631793644.db2.gz GPUTUTGWWQGOJZ-CYBMUJFWSA-N 1 0 259.349 3.495 20 10 CGCDRO CCC[C@@](C)(O)C[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000815579732 631799478 /nfs/dbraw/zinc/79/94/78/631799478.db2.gz TYNJFIXMHKAFQN-CZUORRHYSA-N 1 0 265.397 3.211 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@]2(C)CCOC2)c(O)c1 ZINC000815579714 631799598 /nfs/dbraw/zinc/79/95/98/631799598.db2.gz SPSBTFSGNQUORE-BBRMVZONSA-N 1 0 263.381 3.086 20 10 CGCDRO CO[C@@H](C[NH2+][C@H](C)c1cc2c(cc1O)CCCC2)C1CC1 ZINC000815650945 631812879 /nfs/dbraw/zinc/81/28/79/631812879.db2.gz FXLSNEJXSIBZBJ-XIKOKIGWSA-N 1 0 289.419 3.347 20 10 CGCDRO C[N@H+](Cc1ccc2ccccc2c1O)[C@@H]1CCSC1 ZINC000816485469 631991453 /nfs/dbraw/zinc/99/14/53/631991453.db2.gz NZVWHLZPNTUPAW-CQSZACIVSA-N 1 0 273.401 3.483 20 10 CGCDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1Cc1ccc2ccccc2c1O ZINC000816513205 632001032 /nfs/dbraw/zinc/00/10/32/632001032.db2.gz JWKZZCFUQSCTMM-BBRMVZONSA-N 1 0 285.387 3.281 20 10 CGCDRO COc1ccc(C[NH2+]Cc2ccc3ccccc3c2O)cn1 ZINC000816533503 632006153 /nfs/dbraw/zinc/00/61/53/632006153.db2.gz YXSXJFSUVGPIJI-UHFFFAOYSA-N 1 0 294.354 3.239 20 10 CGCDRO OCc1cccc(C[NH2+]Cc2ccc3ccccc3c2O)c1 ZINC000816547859 632007559 /nfs/dbraw/zinc/00/75/59/632007559.db2.gz LROQJUKWHQOFTH-UHFFFAOYSA-N 1 0 293.366 3.328 20 10 CGCDRO Oc1c(C[NH2+]C[C@H](O)c2ccsc2)ccc2ccccc21 ZINC000816552732 632010454 /nfs/dbraw/zinc/01/04/54/632010454.db2.gz UTYCONSHEHIPLO-INIZCTEOSA-N 1 0 299.395 3.430 20 10 CGCDRO CCCN(CC)CC[NH2+]Cc1ccc2ccccc2c1O ZINC000816555303 632012055 /nfs/dbraw/zinc/01/20/55/632012055.db2.gz AISVRUFPCPLEFH-UHFFFAOYSA-N 1 0 286.419 3.367 20 10 CGCDRO COCC1(C[NH2+]Cc2ccc3ccccc3c2O)CCC1 ZINC000816599752 632020901 /nfs/dbraw/zinc/02/09/01/632020901.db2.gz XHRIFFYUFKHFJT-UHFFFAOYSA-N 1 0 285.387 3.452 20 10 CGCDRO Cc1cc(Br)cc(C[N@H+]2C[C@H](C)[C@@H]2C)c1O ZINC000816649143 632038113 /nfs/dbraw/zinc/03/81/13/632038113.db2.gz UXEJVHGBRYHYJZ-UWVGGRQHSA-N 1 0 284.197 3.303 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H](CCO)CC2)cc1 ZINC000817297706 632118810 /nfs/dbraw/zinc/11/88/10/632118810.db2.gz VEQBSGONWVCLBR-MRXNPFEDSA-N 1 0 290.451 3.127 20 10 CGCDRO CC[C@@H]1C[C@H]([NH2+][C@H](C)c2cc(OC)ccc2O)CCO1 ZINC000817414909 632145246 /nfs/dbraw/zinc/14/52/46/632145246.db2.gz LOJHKDRHYRUQDD-JHJVBQTASA-N 1 0 279.380 3.009 20 10 CGCDRO CC[C@@H]1C[C@@H]([NH2+][C@H](C)c2cc(OC)ccc2O)CCO1 ZINC000817414908 632145572 /nfs/dbraw/zinc/14/55/72/632145572.db2.gz LOJHKDRHYRUQDD-FRRDWIJNSA-N 1 0 279.380 3.009 20 10 CGCDRO COc1cccc(C[N@H+](C)C2CC(OC(C)(C)C)C2)c1O ZINC000817415918 632146916 /nfs/dbraw/zinc/14/69/16/632146916.db2.gz AISMUGRLRLBBIK-UHFFFAOYSA-N 1 0 293.407 3.179 20 10 CGCDRO CC[C@H]([NH2+]CCCC1(O)CCC1)c1ccc(N(C)C)cc1 ZINC000817586195 632191504 /nfs/dbraw/zinc/19/15/04/632191504.db2.gz LVNIAHKHZMPXLM-KRWDZBQOSA-N 1 0 290.451 3.489 20 10 CGCDRO Cc1ccccc1[C@@H](C)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000817938288 632237160 /nfs/dbraw/zinc/23/71/60/632237160.db2.gz IIMNJBXDQSZODJ-BEFAXECRSA-N 1 0 297.446 3.412 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](N)c1ccccc1)c1ccccc1O ZINC000817954481 632248808 /nfs/dbraw/zinc/24/88/08/632248808.db2.gz DHSKFGLBLAJXCY-CVEARBPZSA-N 1 0 270.376 3.133 20 10 CGCDRO Nc1ccc(CC[NH2+][C@H](C2CC2)C2CCCC2)cc1 ZINC000817956942 632252051 /nfs/dbraw/zinc/25/20/51/632252051.db2.gz GHCOEOPAXYPKSN-KRWDZBQOSA-N 1 0 258.409 3.370 20 10 CGCDRO C[C@H]([NH2+][C@H](CN)C1CCCCC1)c1cc(F)ccc1O ZINC000817957896 632253080 /nfs/dbraw/zinc/25/30/80/632253080.db2.gz FWGBOXAGWAFJQS-XHDPSFHLSA-N 1 0 280.387 3.090 20 10 CGCDRO Nc1ccc(CC[NH2+][C@H]2CCC[C@H]2CCCF)cc1 ZINC000817958221 632253322 /nfs/dbraw/zinc/25/33/22/632253322.db2.gz TYDMEMZGQQIKQH-HOCLYGCPSA-N 1 0 264.388 3.319 20 10 CGCDRO CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CCc1ccc(N)cc1 ZINC000817958215 632253861 /nfs/dbraw/zinc/25/38/61/632253861.db2.gz TXIAAZAZBGDBDO-KBXCAEBGSA-N 1 0 284.403 3.177 20 10 CGCDRO CC[C@H]([NH3+])CN[C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000817978811 632270669 /nfs/dbraw/zinc/27/06/69/632270669.db2.gz DZJIFWBDWCNQBO-ZBFHGGJFSA-N 1 0 275.440 3.065 20 10 CGCDRO COc1cccc(O)c1C[NH2+][C@@H]1C[C@@]1(F)c1ccccc1 ZINC000818231084 632299945 /nfs/dbraw/zinc/29/99/45/632299945.db2.gz VCYXIKUFRFAGQU-IAGOWNOFSA-N 1 0 287.334 3.128 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+]C2C[C@H]3C[C@H]3C2)cc1 ZINC000818239139 632301258 /nfs/dbraw/zinc/30/12/58/632301258.db2.gz WHCRZDWHBYARDD-WJBHPKHRSA-N 1 0 256.393 3.154 20 10 CGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H]3CCC3(C)C)C2)cc1 ZINC000818342701 632311016 /nfs/dbraw/zinc/31/10/16/632311016.db2.gz USGIARISORIETD-YOEHRIQHSA-N 1 0 288.435 3.300 20 10 CGCDRO C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000105446919 635832525 /nfs/dbraw/zinc/83/25/25/635832525.db2.gz RJJMVJMRDKODEY-ZDUSSCGKSA-N 1 0 283.371 3.048 20 10 CGCDRO Cc1cccc(C[N@@H+](C)C[C@](C)(O)c2ccccc2)c1O ZINC000822516812 632954806 /nfs/dbraw/zinc/95/48/06/632954806.db2.gz QLIGTZSVJTZQIG-SFHVURJKSA-N 1 0 285.387 3.040 20 10 CGCDRO COc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccc2c(c1)CCO2 ZINC000866252212 633045727 /nfs/dbraw/zinc/04/57/27/633045727.db2.gz GRYCEMNDFOIAEG-SFHVURJKSA-N 1 0 295.382 3.407 20 10 CGCDRO CCOc1ccc(C[NH2+]CCCC2CCOCC2)c(O)c1 ZINC000824477179 633249402 /nfs/dbraw/zinc/24/94/02/633249402.db2.gz ILDQYYKEKFWWJK-UHFFFAOYSA-N 1 0 293.407 3.087 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c1 ZINC000824696970 633274355 /nfs/dbraw/zinc/27/43/55/633274355.db2.gz WKDPZERVEBFOEC-JFIYKMOQSA-N 1 0 289.419 3.216 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CCOC3(CCC3)C2)cc1 ZINC000824750062 633282904 /nfs/dbraw/zinc/28/29/04/633282904.db2.gz BXTSEYPCKPEAJT-MRXNPFEDSA-N 1 0 288.435 3.192 20 10 CGCDRO COc1cccc(C[N@@H+]2C[C@H](C3CC3)[C@@H]2C2CC2)c1O ZINC000824941362 633308981 /nfs/dbraw/zinc/30/89/81/633308981.db2.gz MSMRTWKOTJUFLN-ZBFHGGJFSA-N 1 0 273.376 3.021 20 10 CGCDRO CCOc1ccc(C[N@@H+]2C[C@H](C3CC3)[C@@H]2C2CC2)c(O)c1 ZINC000824941147 633309066 /nfs/dbraw/zinc/30/90/66/633309066.db2.gz JSRPWJGGZBDIKI-AEFFLSMTSA-N 1 0 287.403 3.411 20 10 CGCDRO Oc1ccccc1C[NH2+]C1CCc2ccccc2CC1 ZINC000825046112 633321663 /nfs/dbraw/zinc/32/16/63/633321663.db2.gz QUDZYCSVVGKRNL-UHFFFAOYSA-N 1 0 267.372 3.429 20 10 CGCDRO CO[C@@H]1C[C@@H]([N@H+](C)Cc2cccc(C)c2O)C12CCC2 ZINC000825104336 633329357 /nfs/dbraw/zinc/32/93/57/633329357.db2.gz UHMCHVYQKFAOOO-HUUCEWRRSA-N 1 0 275.392 3.090 20 10 CGCDRO Cc1cccc(C[NH2+]Cc2cc(Cl)c(C)cc2O)n1 ZINC000825119382 633330114 /nfs/dbraw/zinc/33/01/14/633330114.db2.gz AKKHYRTWWCZBDS-UHFFFAOYSA-N 1 0 276.767 3.347 20 10 CGCDRO OC[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000825184171 633334570 /nfs/dbraw/zinc/33/45/70/633334570.db2.gz WBZSBZQZSSBVMZ-WMZOPIPTSA-N 1 0 297.398 3.310 20 10 CGCDRO CCOc1ccc(C[NH2+][C@@H](C)C2CCCC2)c(O)c1 ZINC000825284020 633341475 /nfs/dbraw/zinc/34/14/75/633341475.db2.gz CZLVPFXWZABONU-LBPRGKRZSA-N 1 0 263.381 3.459 20 10 CGCDRO CCOc1ccc(C[NH2+][C@@H]2CCCC[C@H]2OCC)c(O)c1 ZINC000825300134 633343161 /nfs/dbraw/zinc/34/31/61/633343161.db2.gz XCILXHXTUZSKFG-NVXWUHKLSA-N 1 0 293.407 3.228 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCCC[C@H]2OCC)c1 ZINC000825299876 633343518 /nfs/dbraw/zinc/34/35/18/633343518.db2.gz QLPJBRRCNJIPNO-NVXWUHKLSA-N 1 0 293.407 3.228 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+]2CC(C)(C)[C@@H]3COC[C@@H]32)c1O ZINC000825331541 633347202 /nfs/dbraw/zinc/34/72/02/633347202.db2.gz IMLXIUUHECXXEF-KGLIPLIRSA-N 1 0 295.810 3.211 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C2(CO)CCCCC2)cc1Cl ZINC000825520211 633360554 /nfs/dbraw/zinc/36/05/54/633360554.db2.gz WOYVLLWIFZHORR-UHFFFAOYSA-N 1 0 283.799 3.139 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H](CO)c2ccsc2)cc1Cl ZINC000825537115 633362992 /nfs/dbraw/zinc/36/29/92/633362992.db2.gz RMCAUKOUVUDDFF-ZDUSSCGKSA-N 1 0 297.807 3.239 20 10 CGCDRO CCC(CC)(CCO)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825784668 633381881 /nfs/dbraw/zinc/38/18/81/633381881.db2.gz KXKBYEAVINMUNU-UHFFFAOYSA-N 1 0 285.815 3.385 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H]2C[C@@H](C)n3ccnc32)cc1Cl ZINC000826083842 633404421 /nfs/dbraw/zinc/40/44/21/633404421.db2.gz NIZPHPVPKWTWLL-MFKMUULPSA-N 1 0 291.782 3.346 20 10 CGCDRO C[C@@]12COC[C@H]1C[N@H+](Cc1ccc3ccccc3c1O)C2 ZINC000827284941 633478689 /nfs/dbraw/zinc/47/86/89/633478689.db2.gz WZDFZJHZOVXGCH-CRAIPNDOSA-N 1 0 283.371 3.014 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000827377134 633487400 /nfs/dbraw/zinc/48/74/00/633487400.db2.gz QIIRNKIGZBRFTL-NVXWUHKLSA-N 1 0 275.392 3.173 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)c1cncs1 ZINC000122697607 633492566 /nfs/dbraw/zinc/49/25/66/633492566.db2.gz WUXYSIAGTXFPAZ-GFCCVEGCSA-N 1 0 275.421 3.368 20 10 CGCDRO Cc1cccc(C[NH2+]C[C@H]2C(C)(C)C2(F)F)c1O ZINC000827516044 633496143 /nfs/dbraw/zinc/49/61/43/633496143.db2.gz UFEZVNOAHRVJRH-NSHDSACASA-N 1 0 255.308 3.082 20 10 CGCDRO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1CCC2(COC2)C1 ZINC000827644820 633505868 /nfs/dbraw/zinc/50/58/68/633505868.db2.gz RXKJLNITEPIRBP-UHFFFAOYSA-N 1 0 295.382 3.282 20 10 CGCDRO CO[C@H]1CCCC[C@@H]1[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000123098246 633573128 /nfs/dbraw/zinc/57/31/28/633573128.db2.gz CXJHTTIZPMBAMO-COXVUDFISA-N 1 0 276.424 3.361 20 10 CGCDRO CC(=O)c1cc(F)cc(C[NH+]2[C@@H](C)CC[C@@H]2C)c1O ZINC000123408006 633672158 /nfs/dbraw/zinc/67/21/58/633672158.db2.gz HUTDJKOSUKUDFZ-UWVGGRQHSA-N 1 0 265.328 3.107 20 10 CGCDRO COc1cccc(O)c1C[NH2+]CC[C@]1(C)C[C@@]1(F)Cl ZINC000846032559 636133039 /nfs/dbraw/zinc/13/30/39/636133039.db2.gz FGLSQHZNNISJDB-KGLIPLIRSA-N 1 0 287.762 3.195 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@](C)(O)c1ccccc1 ZINC000846038193 636134865 /nfs/dbraw/zinc/13/48/65/636134865.db2.gz LVKRWXILAIAYNN-BEFAXECRSA-N 1 0 298.430 3.138 20 10 CGCDRO Cc1cc(C[N@@H+]2CC[C@@H](c3cccnc3)C2)ccc1N(C)C ZINC000829522363 633746656 /nfs/dbraw/zinc/74/66/56/633746656.db2.gz FHGDCVSYEXKMNW-GOSISDBHSA-N 1 0 295.430 3.446 20 10 CGCDRO CC[N@H+](Cc1ccc(N2CCCCC2)c(C)c1)[C@H](C)CO ZINC000829985448 633814303 /nfs/dbraw/zinc/81/43/03/633814303.db2.gz PKNJBRSGXMQZQB-MRXNPFEDSA-N 1 0 290.451 3.188 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCC[C@H]2CCOC2=O)c(O)c1C ZINC000872111164 634035370 /nfs/dbraw/zinc/03/53/70/634035370.db2.gz AFRPQYJDTALJDQ-KBPBESRZSA-N 1 0 291.391 3.003 20 10 CGCDRO COc1cc(C)cc(C[NH+]2CCC(CCF)CC2)c1O ZINC000872647670 634180735 /nfs/dbraw/zinc/18/07/35/634180735.db2.gz HXWYBLLEGGNSST-UHFFFAOYSA-N 1 0 281.371 3.281 20 10 CGCDRO C[C@@H]1CCC[C@@H](C)N1CC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834575822 634187489 /nfs/dbraw/zinc/18/74/89/634187489.db2.gz OUBXKIPPKGAIRF-FMKPAKJESA-N 1 0 288.435 3.232 20 10 CGCDRO CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)C1(C)C ZINC000834701825 634223649 /nfs/dbraw/zinc/22/36/49/634223649.db2.gz HJGVCZBCXLWGLX-CAAGUOMGSA-N 1 0 275.392 3.029 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]CCc1ccc3c[nH]nc3c1)CC2 ZINC000834793981 634243536 /nfs/dbraw/zinc/24/35/36/634243536.db2.gz LHNCQTQGLLEJDA-OAHLLOKOSA-N 1 0 293.370 3.088 20 10 CGCDRO CCCOc1ccc(C[NH2+]Cc2cnn(C)c2C)cc1C ZINC000873098500 634246313 /nfs/dbraw/zinc/24/63/13/634246313.db2.gz RIPXFNMOHAYKCC-UHFFFAOYSA-N 1 0 287.407 3.116 20 10 CGCDRO CCCOc1ccc(C[NH2+]CCC(C)(C)O)cc1C ZINC000873108397 634247674 /nfs/dbraw/zinc/24/76/74/634247674.db2.gz JZYQXMZYXTWFLW-UHFFFAOYSA-N 1 0 265.397 3.034 20 10 CGCDRO CCCOc1ccc(C[NH2+]CCC[C@H](C)O)cc1C ZINC000873115691 634249207 /nfs/dbraw/zinc/24/92/07/634249207.db2.gz NDHWTZMXFCJFIG-AWEZNQCLSA-N 1 0 265.397 3.034 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCn2ccnc21)c1cc2c(cc1O)CCCC2 ZINC000834829997 634250255 /nfs/dbraw/zinc/25/02/55/634250255.db2.gz AWGXOUZUZWGDNE-BLLLJJGKSA-N 1 0 297.402 3.263 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCn3ccnc32)c2c1c(F)ccc2O ZINC000834832875 634252144 /nfs/dbraw/zinc/25/21/44/634252144.db2.gz SIUXNGUGIYKSBU-USWWRNFRSA-N 1 0 287.338 3.011 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCn3ccnc32)cc1 ZINC000834835769 634252794 /nfs/dbraw/zinc/25/27/94/634252794.db2.gz JKBOXZIWSPFJKB-CZUORRHYSA-N 1 0 284.407 3.135 20 10 CGCDRO CCC[C@H](C[NH2+][C@H](C)c1ccc(C)c(C)c1O)OC ZINC000834839775 634254140 /nfs/dbraw/zinc/25/41/40/634254140.db2.gz CUJJQSTXKLZSJO-ZIAGYGMSSA-N 1 0 265.397 3.475 20 10 CGCDRO CCC[C@@H](C[NH2+][C@H](C)c1c(C)cc(C)cc1O)OC ZINC000834841339 634255176 /nfs/dbraw/zinc/25/51/76/634255176.db2.gz STTKUZDNYIBTPM-KGLIPLIRSA-N 1 0 265.397 3.475 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1CCOC2(CCC2)C1)c1ccccc1O ZINC000834884292 634266438 /nfs/dbraw/zinc/26/64/38/634266438.db2.gz YQZRYJZQPJDHJK-KGLIPLIRSA-N 1 0 275.392 3.392 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)c1cc2c(cc1O)CCCC2)[C@H](C)O ZINC000834887374 634267563 /nfs/dbraw/zinc/26/75/63/634267563.db2.gz ITELVGQOYPOSAQ-WQGACYEGSA-N 1 0 277.408 3.081 20 10 CGCDRO CCn1ccnc1[C@@H](C)[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000834894239 634271756 /nfs/dbraw/zinc/27/17/56/634271756.db2.gz JLBKZQOKHFTHKN-QWHCGFSZSA-N 1 0 273.380 3.329 20 10 CGCDRO C[C@H]1C[C@H]([NH2+]C[C@@H]2CCCC[C@H]2O)c2c1c(F)ccc2O ZINC000834898980 634275590 /nfs/dbraw/zinc/27/55/90/634275590.db2.gz DIEBDEQTNMTUSZ-AUZPSNTRSA-N 1 0 293.382 3.220 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1CC[C@@H](C)O1)c1cc2c(cc1O)CCCC2 ZINC000834914250 634286129 /nfs/dbraw/zinc/28/61/29/634286129.db2.gz BWGKHVZCJLIPHU-DVOMOZLQSA-N 1 0 289.419 3.489 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H]1Cc2ccccc2CN1)c1ccccc1O ZINC000873295002 634324241 /nfs/dbraw/zinc/32/42/41/634324241.db2.gz XFEJHBHQFMJTCU-WMZOPIPTSA-N 1 0 296.414 3.147 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@H](CO)CC(C)(C)C)cc1 ZINC000835041940 634330593 /nfs/dbraw/zinc/33/05/93/634330593.db2.gz PLXJPTFEUFUBCI-MOEXGYKKSA-N 1 0 290.451 3.153 20 10 CGCDRO CCOCC(C)(C)C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835052690 634337175 /nfs/dbraw/zinc/33/71/75/634337175.db2.gz IVRYVWIVVSFGQX-BQYQJAHWSA-N 1 0 290.451 3.418 20 10 CGCDRO CCO[C@@H]1CCC[C@H]1[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835053414 634338304 /nfs/dbraw/zinc/33/83/04/634338304.db2.gz BZKIEQWXPLGKAF-XXCOWLKOSA-N 1 0 288.435 3.313 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+]CCC[C@H]2CCOC2)cc1 ZINC000835053898 634338356 /nfs/dbraw/zinc/33/83/56/634338356.db2.gz FWAGTXLGWGWWRI-IVZVJUQRSA-N 1 0 288.435 3.172 20 10 CGCDRO CCc1ncc(C[NH2+]C/C=C\c2ccc(N(C)C)cc2)o1 ZINC000835055290 634339815 /nfs/dbraw/zinc/33/98/15/634339815.db2.gz UJTIZLTWIWWAAK-WAYWQWQTSA-N 1 0 285.391 3.106 20 10 CGCDRO Cc1cccc(C[NH2+]CCC2CC(F)(F)C2)c1O ZINC000835059678 634342072 /nfs/dbraw/zinc/34/20/72/634342072.db2.gz LCWFJOUHPNPRKM-UHFFFAOYSA-N 1 0 255.308 3.226 20 10 CGCDRO CC1(C)C[C@@H](C[NH2+]Cc2c(O)cccc2Cl)CCO1 ZINC000835060639 634342152 /nfs/dbraw/zinc/34/21/52/634342152.db2.gz SLKRXFCHMUUSSS-NSHDSACASA-N 1 0 283.799 3.340 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]CCC1CC(F)(F)C1 ZINC000835059606 634342297 /nfs/dbraw/zinc/34/22/97/634342297.db2.gz JQIAXRBAUISCMI-UHFFFAOYSA-N 1 0 259.271 3.056 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCc3sccc3C2)c(O)c1 ZINC000876559035 634857133 /nfs/dbraw/zinc/85/71/33/634857133.db2.gz SELJLKXXNFCMJY-UHFFFAOYSA-N 1 0 259.374 3.320 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+](Cc1ccccc1)C[C@H](C)O ZINC000876618761 634868419 /nfs/dbraw/zinc/86/84/19/634868419.db2.gz FDGGCGKTFPKSFJ-HNNXBMFYSA-N 1 0 285.387 3.084 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCCC[C@@H]2c2ncc[nH]2)c(O)c1 ZINC000876657510 634876738 /nfs/dbraw/zinc/87/67/38/634876738.db2.gz GEQCWSRWNKWADW-CQSZACIVSA-N 1 0 271.364 3.151 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C2CC(n3cccn3)C2)cc1 ZINC000876943837 634934126 /nfs/dbraw/zinc/93/41/26/634934126.db2.gz HGYDTFMMNSPBPX-UHFFFAOYSA-N 1 0 298.434 3.223 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]Cc1ccc(OCC2CC2)nc1 ZINC000876998608 634946517 /nfs/dbraw/zinc/94/65/17/634946517.db2.gz KGXNTENSWUIJAN-UHFFFAOYSA-N 1 0 298.386 3.174 20 10 CGCDRO Cc1ccc(C[NH2+]CCSC(C)(C)C)c(O)c1 ZINC000877017691 634951458 /nfs/dbraw/zinc/95/14/58/634951458.db2.gz PKRNMFCZEBALHC-UHFFFAOYSA-N 1 0 253.411 3.322 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2ccc(N(C)C)cc2C)c(O)c1 ZINC000877030805 634955576 /nfs/dbraw/zinc/95/55/76/634955576.db2.gz JGQUEIPCVNYPHS-UHFFFAOYSA-N 1 0 284.403 3.365 20 10 CGCDRO C[C@H]([NH2+]CCCSc1nccs1)[C@@H]1CC1(F)F ZINC000877061716 634967318 /nfs/dbraw/zinc/96/73/18/634967318.db2.gz QWWGFINKRHSTOJ-IUCAKERBSA-N 1 0 278.393 3.259 20 10 CGCDRO COc1cccc2c1CC[C@H]2[NH2+]Cc1ccc(C)cc1O ZINC000877093484 634982564 /nfs/dbraw/zinc/98/25/64/634982564.db2.gz IFLAXHDZBWRJER-MRXNPFEDSA-N 1 0 283.371 3.486 20 10 CGCDRO COc1cc(C)ccc1C[NH2+]Cc1c(C)cccc1O ZINC000877094348 634983456 /nfs/dbraw/zinc/98/34/56/634983456.db2.gz ISFBWEMYCBOYSF-UHFFFAOYSA-N 1 0 271.360 3.307 20 10 CGCDRO Cc1cccc(O)c1C[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000877123377 634991349 /nfs/dbraw/zinc/99/13/49/634991349.db2.gz JRYSUYARHWPTIK-XJKSGUPXSA-N 1 0 277.408 3.384 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H](C)C[C@@H](O)c2cccs2)c(O)c1 ZINC000877129865 634994722 /nfs/dbraw/zinc/99/47/22/634994722.db2.gz OMXKLDUQVWXSKN-SWLSCSKDSA-N 1 0 291.416 3.364 20 10 CGCDRO Cc1ccc(CNc2ccccc2CC[NH+](C)C)c(O)c1 ZINC000877461734 635046721 /nfs/dbraw/zinc/04/67/21/635046721.db2.gz GIAUVCGVVDRNKP-UHFFFAOYSA-N 1 0 284.403 3.417 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000877493465 635059321 /nfs/dbraw/zinc/05/93/21/635059321.db2.gz BNNRVRJMJRUKDE-NSHDSACASA-N 1 0 255.308 3.226 20 10 CGCDRO Cc1nccn1CCC[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840882976 635072811 /nfs/dbraw/zinc/07/28/11/635072811.db2.gz XPDXMFZFWSGWAC-UHFFFAOYSA-N 1 0 293.798 3.039 20 10 CGCDRO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1ccc(C)cc1O ZINC000877530414 635074658 /nfs/dbraw/zinc/07/46/58/635074658.db2.gz DEXFLKVQLNHOIG-OAHLLOKOSA-N 1 0 285.391 3.378 20 10 CGCDRO CCOC[C@@H](C)[NH2+][C@H](C)Cc1ccc(N(C)C)cc1C ZINC000840894122 635077339 /nfs/dbraw/zinc/07/73/39/635077339.db2.gz PIMDBKBEEUBOLP-HUUCEWRRSA-N 1 0 278.440 3.007 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H](O)c2ccsc2)c(Cl)c1 ZINC000840898439 635078239 /nfs/dbraw/zinc/07/82/39/635078239.db2.gz DWAGYKMAQKWBMB-CQSZACIVSA-N 1 0 297.807 3.239 20 10 CGCDRO CSC[C@H]1CCC[N@@H+]1Cc1ccc(N(C)C)cc1C ZINC000840916993 635082753 /nfs/dbraw/zinc/08/27/53/635082753.db2.gz MRLSCDWRBAHGGV-MRXNPFEDSA-N 1 0 278.465 3.388 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H]3COCC[C@H]32)c(Cl)c1 ZINC000840919355 635083051 /nfs/dbraw/zinc/08/30/51/635083051.db2.gz CSBIPMAQIZSZBI-SWLSCSKDSA-N 1 0 295.810 3.355 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCc1ccsc1 ZINC000840929272 635084127 /nfs/dbraw/zinc/08/41/27/635084127.db2.gz OVYJQRICEGBRME-UHFFFAOYSA-N 1 0 274.433 3.455 20 10 CGCDRO Cc1ccc(C[NH+]2CCC3(CCC(O)CC3)CC2)c(O)c1 ZINC000877557341 635089167 /nfs/dbraw/zinc/08/91/67/635089167.db2.gz QBBZFQCUHKTCDC-UHFFFAOYSA-N 1 0 289.419 3.218 20 10 CGCDRO CCC[C@@]1(CO)CC[N@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000840946452 635089870 /nfs/dbraw/zinc/08/98/70/635089870.db2.gz KPPSVZIVSPOOOT-GOSISDBHSA-N 1 0 290.451 3.046 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+](Cc1cnn(C)c1)CC(C)C ZINC000877579235 635100510 /nfs/dbraw/zinc/10/05/10/635100510.db2.gz PDRCWXWKHRWOLU-UHFFFAOYSA-N 1 0 287.407 3.092 20 10 CGCDRO Cc1ccc(C[NH+]2CC(CC(F)(F)F)C2)c(O)c1 ZINC000877580866 635101489 /nfs/dbraw/zinc/10/14/89/635101489.db2.gz QFOXMQDOLMUJHS-UHFFFAOYSA-N 1 0 259.271 3.085 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H]2COCc3ccccc32)c(O)c1 ZINC000877593826 635105838 /nfs/dbraw/zinc/10/58/38/635105838.db2.gz ZPLXYLDNSCUQOF-MRXNPFEDSA-N 1 0 269.344 3.062 20 10 CGCDRO Cc1ccc(C[NH2+][C@H](CCO)c2ccccc2F)c(O)c1 ZINC000877606470 635108866 /nfs/dbraw/zinc/10/88/66/635108866.db2.gz CCADCEFBLZBRTE-MRXNPFEDSA-N 1 0 289.350 3.053 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]CC[C@@]1(C)C[C@@]1(F)Cl ZINC000877611485 635112347 /nfs/dbraw/zinc/11/23/47/635112347.db2.gz SPDDITPBGQANPO-KBPBESRZSA-N 1 0 271.763 3.495 20 10 CGCDRO C[C@H]1C[C@H]([NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)C[C@@H](C)C1 ZINC000841041798 635113438 /nfs/dbraw/zinc/11/34/38/635113438.db2.gz CEKQERNATJYONJ-YQYZPQCESA-N 1 0 289.467 3.167 20 10 CGCDRO Cc1ccc(C[NH2+][C@H](C2CC2)[C@H]2CCCCO2)c(O)c1 ZINC000877616769 635114148 /nfs/dbraw/zinc/11/41/48/635114148.db2.gz HHIOESFNJZMKKT-IAGOWNOFSA-N 1 0 275.392 3.138 20 10 CGCDRO C[C@@H]1CCCC[C@@H]1C[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000841046306 635114342 /nfs/dbraw/zinc/11/43/42/635114342.db2.gz ZPFRVBVTVQGTFT-QGPMSJSTSA-N 1 0 289.467 3.168 20 10 CGCDRO Oc1ccccc1C[N@H+]1CC[C@@H](O)C[C@H]1c1ccccc1 ZINC000877673798 635141364 /nfs/dbraw/zinc/14/13/64/635141364.db2.gz RMDGFCSRZMCDRX-SJORKVTESA-N 1 0 283.371 3.090 20 10 CGCDRO Oc1c(C[NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)ccc2ccccc21 ZINC000877683014 635144022 /nfs/dbraw/zinc/14/40/22/635144022.db2.gz SCWNCMDSIMDLNY-CARYNNKMSA-N 1 0 295.382 3.058 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2C[C@H]2C(F)(F)F)cc1Cl ZINC000877704095 635155654 /nfs/dbraw/zinc/15/56/54/635155654.db2.gz ZIBSNAIOSKGWDY-PSASIEDQSA-N 1 0 279.689 3.394 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@@H]2CCC23CCOCC3)c1O ZINC000877728920 635165282 /nfs/dbraw/zinc/16/52/82/635165282.db2.gz VNGXMRNDSBEJKJ-INIZCTEOSA-N 1 0 289.419 3.251 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CCc2cccnc2CC1)c1ccccc1O ZINC000877755603 635183996 /nfs/dbraw/zinc/18/39/96/635183996.db2.gz HTOFVVHIHHBJQL-HIFRSBDPSA-N 1 0 282.387 3.385 20 10 CGCDRO COc1cccc(C[NH2+][C@H](C)c2ccccc2O)c1F ZINC000877755952 635184743 /nfs/dbraw/zinc/18/47/43/635184743.db2.gz URSJHSRKVOAZOV-LLVKDONJSA-N 1 0 275.323 3.391 20 10 CGCDRO CCOC(=O)c1ccc(C[NH2+][C@H](C)c2ccccc2O)o1 ZINC000877756463 635185480 /nfs/dbraw/zinc/18/54/80/635185480.db2.gz JUBLGFBWVVFNHW-LLVKDONJSA-N 1 0 289.331 3.013 20 10 CGCDRO C[C@@H]([NH2+]CCOC(F)(F)F)c1ccc(Cl)cc1O ZINC000841751261 635225349 /nfs/dbraw/zinc/22/53/49/635225349.db2.gz GYVMLMASYDTPSS-SSDOTTSWSA-N 1 0 283.677 3.233 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1CC[C@@H](C)O1)c1ccc(Cl)cc1O ZINC000841752823 635226679 /nfs/dbraw/zinc/22/66/79/635226679.db2.gz CIMKVTGAFNDAKT-JFGNBEQYSA-N 1 0 269.772 3.264 20 10 CGCDRO C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccc(Cl)cc1[O-] ZINC000841753186 635226988 /nfs/dbraw/zinc/22/69/88/635226988.db2.gz KXNYUVNOCHBULC-LBPRGKRZSA-N 1 0 296.842 3.428 20 10 CGCDRO C[C@@H]([NH2+][C@H](C)c1ccc(Cl)cc1O)c1cnn(C)c1 ZINC000841754614 635229243 /nfs/dbraw/zinc/22/92/43/635229243.db2.gz LAWNJDWKIGLDLR-NXEZZACHSA-N 1 0 279.771 3.191 20 10 CGCDRO CO[C@H](C[NH2+][C@@H](C)c1ccc(C)cc1O)CC(C)C ZINC000841755657 635229570 /nfs/dbraw/zinc/22/95/70/635229570.db2.gz KYCSBULAKHFACB-KBPBESRZSA-N 1 0 265.397 3.412 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2COCc3ccccc32)c1 ZINC000841891803 635248922 /nfs/dbraw/zinc/24/89/22/635248922.db2.gz VLWUWEIPRZVIKK-MRXNPFEDSA-N 1 0 269.344 3.062 20 10 CGCDRO CC[C@H](C[N@H+](Cc1ccco1)Cc1ccccc1O)OC ZINC000842152862 635296049 /nfs/dbraw/zinc/29/60/49/635296049.db2.gz JCQYMHFZXUXYCD-OAHLLOKOSA-N 1 0 289.375 3.412 20 10 CGCDRO COc1ccc(N(C)CCCCCCC[NH3+])c(OC)c1 ZINC000842476239 635378716 /nfs/dbraw/zinc/37/87/16/635378716.db2.gz JYASFXYFMLPNEH-UHFFFAOYSA-N 1 0 280.412 3.049 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@@H](c3cccnc3)C2)c1 ZINC000842621385 635419830 /nfs/dbraw/zinc/41/98/30/635419830.db2.gz DBTDALRNJAVLHD-MRXNPFEDSA-N 1 0 282.387 3.394 20 10 CGCDRO C=C/C=C/CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000878358059 635474095 /nfs/dbraw/zinc/47/40/95/635474095.db2.gz LBGNFIRMNIQIAF-APHBUQMISA-N 1 0 286.419 3.306 20 10 CGCDRO CC[C@H](C)C[C@H](CO)[NH2+][C@H](C)c1ccc(C)cc1O ZINC000842917620 635512042 /nfs/dbraw/zinc/51/20/42/635512042.db2.gz QRNIRDJFLKHBKI-IACUBPJLSA-N 1 0 265.397 3.148 20 10 CGCDRO CCC[N@H+](Cc1cc(Cl)ccc1[O-])C1CC[NH2+]CC1 ZINC000843044988 635549817 /nfs/dbraw/zinc/54/98/17/635549817.db2.gz OWVQGVZFNBOPQZ-UHFFFAOYSA-N 1 0 282.815 3.010 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)Cc2cccc3c2NCC3)cc1 ZINC000843059012 635555606 /nfs/dbraw/zinc/55/56/06/635555606.db2.gz CICPJBFCXSMMJB-UHFFFAOYSA-N 1 0 295.430 3.353 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2CC[C@@H](OC(C)C)C2)c(Cl)c1 ZINC000843414211 635661879 /nfs/dbraw/zinc/66/18/79/635661879.db2.gz XAFVWABZZBOYRO-GFCCVEGCSA-N 1 0 283.799 3.353 20 10 CGCDRO COCC1(CC[NH2+]Cc2cc(Cl)cc(C)c2O)CC1 ZINC000843418748 635663047 /nfs/dbraw/zinc/66/30/47/635663047.db2.gz KBWKOQSYLCQWTO-UHFFFAOYSA-N 1 0 283.799 3.260 20 10 CGCDRO Oc1cccc(Cl)c1C[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000843419740 635665279 /nfs/dbraw/zinc/66/52/79/635665279.db2.gz RUVPWYSAUREUHM-CYBMUJFWSA-N 1 0 288.778 3.430 20 10 CGCDRO Cc1ccc(O)c(C[NH+]2CC(C)(CC(F)F)C2)c1 ZINC000843424542 635667902 /nfs/dbraw/zinc/66/79/02/635667902.db2.gz CHNJEMVDFDODFM-UHFFFAOYSA-N 1 0 255.308 3.178 20 10 CGCDRO Cc1ccc(O)c(C[N@H+]2C[C@@H](C)OC3(CCCC3)C2)c1 ZINC000843435917 635676446 /nfs/dbraw/zinc/67/64/46/635676446.db2.gz ZQWQSPVYMQZYES-CQSZACIVSA-N 1 0 275.392 3.234 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H]2C(C)C)c1O ZINC000211578048 636107427 /nfs/dbraw/zinc/10/74/27/636107427.db2.gz BQZUUQUWWCKSSQ-CQSZACIVSA-N 1 0 263.381 3.411 20 10 CGCDRO CC[C@@H]1C[C@@H](C[NH2+][C@H](C)c2cc(OC)ccc2O)CCO1 ZINC000845971945 636125245 /nfs/dbraw/zinc/12/52/45/636125245.db2.gz OGQMBEMCBWFVSU-HZSPNIEDSA-N 1 0 293.407 3.257 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cncn2C(C)C)c1 ZINC000845971120 636125686 /nfs/dbraw/zinc/12/56/86/636125686.db2.gz HFTDFLBTKBWQPC-GFCCVEGCSA-N 1 0 289.379 3.029 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H](c2ccccc2F)[C@H](C)O)c1O ZINC000846017497 636130608 /nfs/dbraw/zinc/13/06/08/636130608.db2.gz ORCAVHXVYSPSDA-BLLLJJGKSA-N 1 0 289.350 3.051 20 10 CGCDRO C[C@@]1(CC[NH2+]Cc2ccc3c(c2)CCO3)C[C@@]1(F)Cl ZINC000846041178 636136489 /nfs/dbraw/zinc/13/64/89/636136489.db2.gz ZLSSNWHGMQBSNJ-CABCVRRESA-N 1 0 283.774 3.416 20 10 CGCDRO Cc1ccc(O)c(C[NH+]2CCC3(CC3(F)F)CC2)c1 ZINC000846054685 636139104 /nfs/dbraw/zinc/13/91/04/636139104.db2.gz OYHPPTRGXCIYFZ-UHFFFAOYSA-N 1 0 267.319 3.322 20 10 CGCDRO Oc1ccccc1C[NH2+]CCC[C@@H]1CC1(Cl)Cl ZINC000846103470 636142943 /nfs/dbraw/zinc/14/29/43/636142943.db2.gz YTAYYOHJVNCRSB-LLVKDONJSA-N 1 0 274.191 3.456 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H](CC(C)C)N(C)C)c1O ZINC000846139408 636148814 /nfs/dbraw/zinc/14/88/14/636148814.db2.gz UHJWTMZOONDYHC-UONOGXRCSA-N 1 0 294.439 3.028 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]CCc2ccc(F)cc2)c1O ZINC000846137308 636148825 /nfs/dbraw/zinc/14/88/25/636148825.db2.gz LSJGXGFKOHFHSP-LBPRGKRZSA-N 1 0 289.350 3.433 20 10 CGCDRO CCCCOCCC[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846135410 636148879 /nfs/dbraw/zinc/14/88/79/636148879.db2.gz CHZJSBZDOXXLPO-ZDUSSCGKSA-N 1 0 281.396 3.258 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@H](OC)C(C)(C)C)c1O ZINC000846149119 636149963 /nfs/dbraw/zinc/14/99/63/636149963.db2.gz VXHRKOFKAPYFEF-FZMZJTMJSA-N 1 0 281.396 3.113 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@H](C)c2ccncc2)c1O ZINC000846151141 636150529 /nfs/dbraw/zinc/15/05/29/636150529.db2.gz UOOXNOPFOKCNBE-STQMWFEESA-N 1 0 286.375 3.250 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCCC[C@@H]2OC)c1O ZINC000846168235 636151914 /nfs/dbraw/zinc/15/19/14/636151914.db2.gz RJDKRRHNEGLGPQ-XBFCOCLRSA-N 1 0 279.380 3.009 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2CC[C@H](C)C2)c1O ZINC000846166865 636151990 /nfs/dbraw/zinc/15/19/90/636151990.db2.gz DRZJWGCMLMPMDD-RWMBFGLXSA-N 1 0 263.381 3.488 20 10 CGCDRO CCn1cc([C@@H](C)[NH2+][C@@H](C)c2cccc(OC)c2O)cn1 ZINC000846169106 636152877 /nfs/dbraw/zinc/15/28/77/636152877.db2.gz OFCQOZHCPWALKW-NEPJUHHUSA-N 1 0 289.379 3.029 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+][C@H]2COCc3ccccc32)c1O ZINC000846173430 636153613 /nfs/dbraw/zinc/15/36/13/636153613.db2.gz QTGZRKXJGBQTCF-WBMJQRKESA-N 1 0 299.370 3.323 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2F)c1O ZINC000846175369 636153714 /nfs/dbraw/zinc/15/37/14/636153714.db2.gz YUPSUBQNSKNOIQ-RAIGVLPGSA-N 1 0 267.344 3.332 20 10 CGCDRO CCN(CCCCCC[NH3+])c1ccc(OC)c(OC)c1 ZINC000846218893 636161943 /nfs/dbraw/zinc/16/19/43/636161943.db2.gz XUNXRNKZSGEAMS-UHFFFAOYSA-N 1 0 280.412 3.049 20 10 CGCDRO C[C@H]([NH2+]Cc1ccn(C)n1)c1ccc2ccccc2c1O ZINC000212215720 636311148 /nfs/dbraw/zinc/31/11/48/636311148.db2.gz PWIZIOBGUIRQAG-LBPRGKRZSA-N 1 0 281.359 3.130 20 10 CGCDRO CC1(C)COCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000130863320 636523532 /nfs/dbraw/zinc/52/35/32/636523532.db2.gz XODGPTORLZKRMB-UHFFFAOYSA-N 1 0 288.435 3.288 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)c1cncnc1C ZINC000848530652 636591416 /nfs/dbraw/zinc/59/14/16/636591416.db2.gz JDWMSCDXERGCQP-CYBMUJFWSA-N 1 0 284.407 3.010 20 10 CGCDRO COCC1(C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)CC1 ZINC000848560429 636606698 /nfs/dbraw/zinc/60/66/98/636606698.db2.gz FJAPKZKQUOHGJG-JQWIXIFHSA-N 1 0 279.355 3.096 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+][C@@H]1CCCN2CCCC[C@H]12 ZINC000848574613 636612880 /nfs/dbraw/zinc/61/28/80/636612880.db2.gz GLZRFDAWSICZPY-HUUCEWRRSA-N 1 0 294.826 3.152 20 10 CGCDRO CO[C@H]1C[C@H](C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)C1 ZINC000883272385 636643424 /nfs/dbraw/zinc/64/34/24/636643424.db2.gz LBWUNOIOJKGIKH-PRULPYPASA-N 1 0 279.355 3.094 20 10 CGCDRO CC[C@@H]([NH2+]C1(c2ncccn2)CCC1)c1ccccc1O ZINC000883311686 636662067 /nfs/dbraw/zinc/66/20/67/636662067.db2.gz IYRGPYRQKZXIAY-CQSZACIVSA-N 1 0 283.375 3.302 20 10 CGCDRO COC[C@H]1C[C@@H]([NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)C1 ZINC000883319564 636669814 /nfs/dbraw/zinc/66/98/14/636669814.db2.gz HPDPRVZPUOZVBO-DCQANWLSSA-N 1 0 279.355 3.094 20 10 CGCDRO COC[C@H]1C[C@@H]([NH2+][C@H](C)c2c(C)cc(C)cc2O)C1 ZINC000883319622 636669847 /nfs/dbraw/zinc/66/98/47/636669847.db2.gz JQDKNNJOMJJYCW-MCIONIFRSA-N 1 0 263.381 3.085 20 10 CGCDRO CCc1cccc(C[NH2+]Cc2ccc([C@@H](C)O)cc2)c1O ZINC000848895776 636679010 /nfs/dbraw/zinc/67/90/10/636679010.db2.gz XOWZCQPPAGDZML-CYBMUJFWSA-N 1 0 285.387 3.298 20 10 CGCDRO CCOC1CC2(C1)CC[N@H+](Cc1cccc(CC)c1O)C2 ZINC000848911803 636686490 /nfs/dbraw/zinc/68/64/90/636686490.db2.gz ZKYMVVXSKLMYMB-UHFFFAOYSA-N 1 0 289.419 3.346 20 10 CGCDRO CCc1cccc(C[NH2+][C@H](C)c2nccn2CC)c1O ZINC000848914307 636688688 /nfs/dbraw/zinc/68/86/88/636688688.db2.gz GPNIDSQJQDCUCG-GFCCVEGCSA-N 1 0 273.380 3.022 20 10 CGCDRO CCc1cccc(C[NH2+]CCC2CC(F)(F)C2)c1O ZINC000848915073 636688736 /nfs/dbraw/zinc/68/87/36/636688736.db2.gz SEQALRVTGFSAIM-UHFFFAOYSA-N 1 0 269.335 3.480 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H](C)[C@@](C)(O)c2ccccc2)c1O ZINC000848919571 636690908 /nfs/dbraw/zinc/69/09/08/636690908.db2.gz NNZLVYKBUGJHKE-IFXJQAMLSA-N 1 0 299.414 3.340 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCC[C@]23CCCO3)c1 ZINC000883369725 636711271 /nfs/dbraw/zinc/71/12/71/636711271.db2.gz XKUIMFWCOAMCHZ-XYPHTWIQSA-N 1 0 275.392 3.453 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCC[C@]12CCCO2)c1cc(F)ccc1O ZINC000883369682 636711732 /nfs/dbraw/zinc/71/17/32/636711732.db2.gz WMIIQCWHLZJTCW-LYRGGWFBSA-N 1 0 279.355 3.284 20 10 CGCDRO COC[C@H]([NH2+][C@@H](C)c1cc(C)ccc1O)C(C)C ZINC000086683483 636782642 /nfs/dbraw/zinc/78/26/42/636782642.db2.gz XIYNUFFIXQKZHW-JSGCOSHPSA-N 1 0 251.370 3.022 20 10 CGCDRO Nc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1c(O)cccc1Cl ZINC000849352457 636817957 /nfs/dbraw/zinc/81/79/57/636817957.db2.gz LVDSNRASKLYITE-HNNXBMFYSA-N 1 0 288.778 3.405 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2CCc3cc(N)ccc32)cc1C ZINC000849352326 636818034 /nfs/dbraw/zinc/81/80/34/636818034.db2.gz LCAXCYJWVJMFHM-KRWDZBQOSA-N 1 0 282.387 3.363 20 10 CGCDRO COc1cccc(C[N@H+](C)[C@@H]2CCC[C@H](C)C2)c1O ZINC000132746059 636834424 /nfs/dbraw/zinc/83/44/24/636834424.db2.gz GQIMMXLXVFUHAN-GXTWGEPZSA-N 1 0 263.381 3.411 20 10 CGCDRO COCC[C@@H](C)[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850110775 636961131 /nfs/dbraw/zinc/96/11/31/636961131.db2.gz XNOCFEFAATXARL-GFCCVEGCSA-N 1 0 295.423 3.213 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H]2CCC[C@H]3C[C@H]32)c1 ZINC000850377535 637038343 /nfs/dbraw/zinc/03/83/43/637038343.db2.gz FWRRAGYJKYPDTN-HEHGZKQESA-N 1 0 275.392 3.317 20 10 CGCDRO COC1([C@@H](C)[NH2+]CCCSc2nccs2)CCC1 ZINC000850436749 637062035 /nfs/dbraw/zinc/06/20/35/637062035.db2.gz LNCNFPJFFMUPJR-LLVKDONJSA-N 1 0 286.466 3.173 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1COC(C)(C)C1)c1cc2c(cc1O)CCCC2 ZINC000850481403 637085925 /nfs/dbraw/zinc/08/59/25/637085925.db2.gz GUUXTCMFOLZHQX-DOMZBBRYSA-N 1 0 289.419 3.489 20 10 CGCDRO CCO[C@H]1C[C@H]([NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)C1 ZINC000850513799 637098162 /nfs/dbraw/zinc/09/81/62/637098162.db2.gz JOVUUWUOSNYXMJ-ZPFDUUQYSA-N 1 0 279.355 3.237 20 10 CGCDRO C[C@H](CN1CCC(C)CC1)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000850543490 637115743 /nfs/dbraw/zinc/11/57/43/637115743.db2.gz KMNDNZVVCPKNPV-KGLIPLIRSA-N 1 0 294.414 3.302 20 10 CGCDRO CCCN1CC[C@H]([NH2+][C@@H](C)c2ccc(N(C)CC)cc2)C1 ZINC000850556132 637119850 /nfs/dbraw/zinc/11/98/50/637119850.db2.gz QYNAHGLWWTZJCE-RDJZCZTQSA-N 1 0 289.467 3.278 20 10 CGCDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850567139 637126664 /nfs/dbraw/zinc/12/66/64/637126664.db2.gz XHEHRXNFCZWVDM-CABCVRRESA-N 1 0 290.451 3.172 20 10 CGCDRO CCCC[N@@H+](Cc1ccccc1O)C[C@@H]1C[C@@]12CCOC2 ZINC000886192452 637453478 /nfs/dbraw/zinc/45/34/78/637453478.db2.gz XBFGJQJYIPGOIP-FUHWJXTLSA-N 1 0 289.419 3.421 20 10 CGCDRO CCOc1ccc(C[NH2+]CC[C@@H]2CC(C)(C)CO2)c(O)c1 ZINC000886307350 637492879 /nfs/dbraw/zinc/49/28/79/637492879.db2.gz PORZKGNUMIDQCW-OAHLLOKOSA-N 1 0 293.407 3.086 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](c2cnn(C)c2)C(C)C)cc1C ZINC000886521293 637551709 /nfs/dbraw/zinc/55/17/09/637551709.db2.gz YCMVPDJKNFXHHK-QGZVFWFLSA-N 1 0 287.407 3.224 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CC3(CCC3)CO2)c1 ZINC000886701981 637664894 /nfs/dbraw/zinc/66/48/94/637664894.db2.gz YHWRGJYZTIVJEW-ZIAGYGMSSA-N 1 0 275.392 3.310 20 10 CGCDRO CC(=O)c1cc(F)cc(C[NH2+]C2(C3CC3)CCC2)c1O ZINC000887146210 637762343 /nfs/dbraw/zinc/76/23/43/637762343.db2.gz LGPCOXRRXYOPMU-UHFFFAOYSA-N 1 0 277.339 3.156 20 10 CGCDRO CCn1nccc1C[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000853241649 637790865 /nfs/dbraw/zinc/79/08/65/637790865.db2.gz WQGURYKGWKBLPV-SNVBAGLBSA-N 1 0 279.771 3.113 20 10 CGCDRO Oc1ccc2ccccc2c1C[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000853578244 637868757 /nfs/dbraw/zinc/86/87/57/637868757.db2.gz JOUDLNAJJJNBHG-KBPBESRZSA-N 1 0 253.345 3.387 20 10 CGCDRO Oc1ccc2ccccc2c1C[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000853584773 637869828 /nfs/dbraw/zinc/86/98/28/637869828.db2.gz BMBKLPTXOVADMU-LSDHHAIUSA-N 1 0 283.371 3.014 20 10 CGCDRO COc1ccc(N2CC[C@H](Nc3cc(C)ccn3)C2)cc1 ZINC000853759248 637911686 /nfs/dbraw/zinc/91/16/86/637911686.db2.gz QDMXVNFRGSHNQF-AWEZNQCLSA-N 1 0 283.375 3.089 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]Cc2cccc(N)c2)c2c1c(F)ccc2O ZINC000854216519 638025119 /nfs/dbraw/zinc/02/51/19/638025119.db2.gz BIEBGBJWQVDJTC-YGRLFVJLSA-N 1 0 286.350 3.452 20 10 CGCDRO CC[C@H]([NH2+]CC[C@@H]([NH3+])C(C)C)c1cccc(Cl)c1[O-] ZINC000854230426 638028989 /nfs/dbraw/zinc/02/89/89/638028989.db2.gz PHBULJCTXHNLLW-KGLIPLIRSA-N 1 0 284.831 3.460 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]C2CCN(c3ccccc3)CC2)c1 ZINC000113326496 638200562 /nfs/dbraw/zinc/20/05/62/638200562.db2.gz QSRGUSLUTZYKQI-UHFFFAOYSA-N 1 0 296.414 3.459 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cccc(OC)n1 ZINC000924575622 638366296 /nfs/dbraw/zinc/36/62/96/638366296.db2.gz XPSWGVALPRRYIF-MRXNPFEDSA-N 1 0 299.418 3.397 20 10 CGCDRO Cc1nccnc1C[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000857012512 638426501 /nfs/dbraw/zinc/42/65/01/638426501.db2.gz LETLKTFZUWKNBA-UHFFFAOYSA-N 1 0 296.418 3.016 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccc(F)cc1 ZINC000115629298 638570001 /nfs/dbraw/zinc/57/00/01/638570001.db2.gz ZEJIYINFTKCLAV-UHFFFAOYSA-N 1 0 272.367 3.490 20 10 CGCDRO CN(C)c1cc(F)c(C[NH2+]CCc2ccsc2)cc1F ZINC000858091796 638624910 /nfs/dbraw/zinc/62/49/10/638624910.db2.gz GJLXSOSOZNVDMZ-UHFFFAOYSA-N 1 0 296.386 3.425 20 10 CGCDRO CCOc1cccc(C[NH2+]Cc2cc(C)ccc2O)c1O ZINC000858237677 638661910 /nfs/dbraw/zinc/66/19/10/638661910.db2.gz OQWRJFLAWHJPRL-UHFFFAOYSA-N 1 0 287.359 3.095 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](CO)CCC(C)C)c1 ZINC000858484844 638736449 /nfs/dbraw/zinc/73/64/49/638736449.db2.gz CPUJHGLEUSSMJB-ZIAGYGMSSA-N 1 0 265.397 3.148 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CO[C@H](C3CC3)C2)c2c1c(F)ccc2O ZINC000858547717 638759479 /nfs/dbraw/zinc/75/94/79/638759479.db2.gz NWACVKPZMGDBNW-XECBFPEOSA-N 1 0 291.366 3.237 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1ccc(C)cc1O ZINC000926934584 638827001 /nfs/dbraw/zinc/82/70/01/638827001.db2.gz HDNPAQVKNOJTCB-QSJFSLAZSA-N 1 0 287.403 3.332 20 10 CGCDRO Cc1cc(C)nc(C[N@@H+](C)Cc2ccccc2O)c1 ZINC000929978192 638965873 /nfs/dbraw/zinc/96/58/73/638965873.db2.gz ZEQCGIVEDIAKHH-UHFFFAOYSA-N 1 0 256.349 3.036 20 10 CGCDRO CCO[C@@H](C[NH2+][C@H](C)c1ccc(N(C)C)cc1)C1CC1 ZINC000859257431 639121035 /nfs/dbraw/zinc/12/10/35/639121035.db2.gz BDIDEDLJNLKHAS-DYVFJYSZSA-N 1 0 276.424 3.218 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H](SC)C2)c(O)c1 ZINC000117393867 639326608 /nfs/dbraw/zinc/32/66/08/639326608.db2.gz RXMWMMGNPXFFPA-OCCSQVGLSA-N 1 0 281.421 3.165 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CC2(O)CCCCCC2)cc1F ZINC000117947166 639493259 /nfs/dbraw/zinc/49/32/59/639493259.db2.gz PIVKFRKRCNJYIK-UHFFFAOYSA-N 1 0 294.414 3.067 20 10 CGCDRO Cc1cccc(OCC[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000042255805 639913728 /nfs/dbraw/zinc/91/37/28/639913728.db2.gz PUHSDCIPZOGPFU-UHFFFAOYSA-N 1 0 283.371 3.099 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCN(C)C(C)C)cc1 ZINC000155746178 639947337 /nfs/dbraw/zinc/94/73/37/639947337.db2.gz HZBDFCBZTNAZNI-OAHLLOKOSA-N 1 0 277.456 3.134 20 10 CGCDRO CCOC[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(C)C ZINC000189355900 640188114 /nfs/dbraw/zinc/18/81/14/640188114.db2.gz UCYMJKJOYIHMBD-YOEHRIQHSA-N 1 0 278.440 3.464 20 10 CGCDRO CCCCOCCC[NH2+]Cc1cc(Cl)ccc1O ZINC000076272583 640188768 /nfs/dbraw/zinc/18/87/68/640188768.db2.gz SUTWWSKGFMDHPN-UHFFFAOYSA-N 1 0 271.788 3.342 20 10 CGCDRO COc1ccc(C[NH2+][C@H](C)CCSC)cc1C ZINC000076772285 640216336 /nfs/dbraw/zinc/21/63/36/640216336.db2.gz YOXDVHVOAHFYNL-GFCCVEGCSA-N 1 0 253.411 3.235 20 10 CGCDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)CC1 ZINC000191112293 640290929 /nfs/dbraw/zinc/29/09/29/640290929.db2.gz OXKACRXRNBYBCT-DGCLKSJQSA-N 1 0 277.364 3.179 20 10 CGCDRO COc1cc(C[NH+]2CCCC2)c(O)c(C(C)(C)C)c1 ZINC000193209304 640442054 /nfs/dbraw/zinc/44/20/54/640442054.db2.gz DRVCVGCMZLWWFL-UHFFFAOYSA-N 1 0 263.381 3.294 20 10 CGCDRO Cc1ccc(-c2n[nH]cc2C[N@@H+](C)Cc2ccccc2O)o1 ZINC000091956565 640728141 /nfs/dbraw/zinc/72/81/41/640728141.db2.gz RAQLINVDKFTHQW-UHFFFAOYSA-N 1 0 297.358 3.316 20 10 CGCDRO CCOc1ccc(O)c(C[NH+]2C[C@@H](C)S[C@H](C)C2)c1 ZINC000092541192 640739005 /nfs/dbraw/zinc/73/90/05/640739005.db2.gz KTEIDHYLMQEZGQ-VXGBXAGGSA-N 1 0 281.421 3.117 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[C@H]2O)cc1 ZINC000248012214 640739275 /nfs/dbraw/zinc/73/92/75/640739275.db2.gz LIXBWYJEFNVIOG-QILLFSRXSA-N 1 0 290.451 3.344 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@@H]1C ZINC000093480863 640772806 /nfs/dbraw/zinc/77/28/06/640772806.db2.gz GMOOHUUEBIRNQQ-CVEARBPZSA-N 1 0 288.435 3.001 20 10 CGCDRO CC1(C)C[N@H+](Cc2cc(Cl)ccc2O)CCS1 ZINC000093504425 640773744 /nfs/dbraw/zinc/77/37/44/640773744.db2.gz CXVXEUWEWUCQFL-UHFFFAOYSA-N 1 0 271.813 3.373 20 10 CGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@H]1CC[C@@H](C)O1 ZINC000248867960 640783978 /nfs/dbraw/zinc/78/39/78/640783978.db2.gz CIAVHKPQWHLXQF-UKRRQHHQSA-N 1 0 263.381 3.172 20 10 CGCDRO C[C@@H]1CC[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)C[C@H]1C ZINC000251762264 640832995 /nfs/dbraw/zinc/83/29/95/640832995.db2.gz KGLDMCHMVVBBRS-WZRBSPASSA-N 1 0 277.364 3.035 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CC[C@H](C)[C@H](C)C2)c1 ZINC000251966668 640835932 /nfs/dbraw/zinc/83/59/32/640835932.db2.gz XXSHANNKQZOQPT-OUCADQQQSA-N 1 0 263.381 3.315 20 10 CGCDRO C[C@H](C[C@@H](O)c1ccco1)[NH2+]Cc1cc(Cl)ccc1O ZINC000305712694 640900284 /nfs/dbraw/zinc/90/02/84/640900284.db2.gz GFBSHISFCDLRQG-QMTHXVAHSA-N 1 0 295.766 3.240 20 10 CGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2[NH2+]C1CCOCC1 ZINC001255038356 806533457 /nfs/dbraw/zinc/53/34/57/806533457.db2.gz MLJSFCPCGCZNCT-KRWDZBQOSA-N 1 0 289.419 3.401 20 10 CGCDRO CCOC(=O)C[N@H+](Cc1cc(C)ccc1O)C1CCCC1 ZINC000093687081 798966412 /nfs/dbraw/zinc/96/64/12/798966412.db2.gz DBJPJBZLZCCGGX-UHFFFAOYSA-N 1 0 291.391 3.008 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CC[C@H]1CCCO1 ZINC000252458087 799166670 /nfs/dbraw/zinc/16/66/70/799166670.db2.gz KEZUJCQDGGIDLS-MGPQQGTHSA-N 1 0 275.392 3.408 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1CCC=CO1)c1ccc(N(C)C)cc1 ZINC000379987268 799355684 /nfs/dbraw/zinc/35/56/84/799355684.db2.gz MRYRAFKGVYBUEZ-CZUORRHYSA-N 1 0 260.381 3.096 20 10 CGCDRO CC[C@H](C)[C@@H](C[NH2+][C@H](C)c1ccc(N(C)C)cc1)OC ZINC000381353789 799377268 /nfs/dbraw/zinc/37/72/68/799377268.db2.gz FSWIZVVBETVOQN-JJRVBVJISA-N 1 0 278.440 3.464 20 10 CGCDRO CCC[N@@H+](Cc1cccc(OC)c1O)CC(C)C ZINC000381437917 799380405 /nfs/dbraw/zinc/38/04/05/799380405.db2.gz KHZCOKGAHCYBIR-UHFFFAOYSA-N 1 0 251.370 3.269 20 10 CGCDRO C[N@@H+](Cc1cc(F)ccc1O)CC1CC(F)(F)C1 ZINC000383506865 799404192 /nfs/dbraw/zinc/40/41/92/799404192.db2.gz IQGKRYXHUNUCKS-UHFFFAOYSA-N 1 0 259.271 3.008 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCS[C@H]1C)c1ccccc1O ZINC000383954362 799410529 /nfs/dbraw/zinc/41/05/29/799410529.db2.gz GZKSWHJFVIANLQ-WCFLWFBJSA-N 1 0 251.395 3.327 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@H](C)CC(C)(C)C)c1 ZINC000384480855 799417517 /nfs/dbraw/zinc/41/75/17/799417517.db2.gz YDOXDXXZMVROHI-LLVKDONJSA-N 1 0 251.370 3.315 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000385468759 799426293 /nfs/dbraw/zinc/42/62/93/799426293.db2.gz FMOKXLHCGOYHDQ-SECBINFHSA-N 1 0 279.689 3.430 20 10 CGCDRO CC(=O)c1cc(F)cc(C[N@H+]2CCSCC[C@@H]2C)c1O ZINC000385645370 799427437 /nfs/dbraw/zinc/42/74/37/799427437.db2.gz DCRYWIDNYONVAA-JTQLQIEISA-N 1 0 297.395 3.061 20 10 CGCDRO C[C@H]([NH2+][C@@H](CO)C1CCCCC1)c1cc(F)ccc1O ZINC000386038830 799430098 /nfs/dbraw/zinc/43/00/98/799430098.db2.gz AJDJPZVSSSNTQP-NHYWBVRUSA-N 1 0 281.371 3.123 20 10 CGCDRO C[C@@H]([NH2+][C@@H](CO)C1CCCCC1)c1cc(F)ccc1O ZINC000386038828 799430627 /nfs/dbraw/zinc/43/06/27/799430627.db2.gz AJDJPZVSSSNTQP-ABAIWWIYSA-N 1 0 281.371 3.123 20 10 CGCDRO CC[C@@H]([NH2+][C@H](CO)C1CCCCC1)c1ccccc1O ZINC000386255035 799434657 /nfs/dbraw/zinc/43/46/57/799434657.db2.gz LSMBIVICNQBUPR-HZPDHXFCSA-N 1 0 277.408 3.374 20 10 CGCDRO Cc1ccnc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000394268110 799496031 /nfs/dbraw/zinc/49/60/31/799496031.db2.gz KMHNSRICSYTPIS-CQSZACIVSA-N 1 0 269.392 3.307 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CS[C@H](C)C2)c(O)c1 ZINC000397866235 799522268 /nfs/dbraw/zinc/52/22/68/799522268.db2.gz AFNZDVGMLNTFRK-WOPDTQHZSA-N 1 0 251.395 3.245 20 10 CGCDRO C[C@H]([NH2+][C@H]1CSC[C@H]1C)c1ccc(N(C)C)cc1 ZINC000397883464 799523329 /nfs/dbraw/zinc/52/33/29/799523329.db2.gz AUCAFQVAWOYDLC-XUJVJEKNSA-N 1 0 264.438 3.155 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CSC[C@@H]2C)cc1 ZINC000397939768 799524811 /nfs/dbraw/zinc/52/48/11/799524811.db2.gz UDZFMLCATDZTLA-XJKSGUPXSA-N 1 0 278.465 3.374 20 10 CGCDRO C[C@]1([NH2+]Cc2ccc(N3CCOCC3)cc2)CC=CCC1 ZINC000398364263 799529976 /nfs/dbraw/zinc/52/99/76/799529976.db2.gz GUTNYZZGYZGRHB-SFHVURJKSA-N 1 0 286.419 3.112 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2ccc(N3CCCC3)cc2)nc1 ZINC000400892718 799551315 /nfs/dbraw/zinc/55/13/15/799551315.db2.gz IINJLAGEXMVRMJ-UHFFFAOYSA-N 1 0 281.403 3.280 20 10 CGCDRO CC[C@@H]1C[N@H+](Cc2cc(C)ccc2O)[C@@H](CC)CO1 ZINC000403805130 799571917 /nfs/dbraw/zinc/57/19/17/799571917.db2.gz IIKNRKXJQFEAGI-LSDHHAIUSA-N 1 0 263.381 3.090 20 10 CGCDRO CC[C@H]1C[C@H]([NH2+]Cc2ccc(N(CC)CC)cc2)CO1 ZINC000688530811 799749787 /nfs/dbraw/zinc/74/97/87/799749787.db2.gz PLNCQOQUIQKWEK-RDJZCZTQSA-N 1 0 276.424 3.190 20 10 CGCDRO C[C@@]1(C[NH2+]Cc2c(O)cccc2Cl)CC1(F)F ZINC000689200826 799761464 /nfs/dbraw/zinc/76/14/64/799761464.db2.gz DPPXABVHZPLXPY-NSHDSACASA-N 1 0 261.699 3.181 20 10 CGCDRO Cc1ccc(CC[NH2+][C@H](C)c2ccc(C)cc2O)nc1 ZINC000689495676 799766694 /nfs/dbraw/zinc/76/66/94/799766694.db2.gz UHUUCEIDUOTLFF-CQSZACIVSA-N 1 0 270.376 3.297 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H](CC)CSC)c1O ZINC000691523084 799784965 /nfs/dbraw/zinc/78/49/65/799784965.db2.gz NFVDLJOQBFZEBW-ZDUSSCGKSA-N 1 0 253.411 3.186 20 10 CGCDRO CCc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)c1O ZINC000691478175 799785461 /nfs/dbraw/zinc/78/54/61/799785461.db2.gz CNUTYXUJJJLGHO-GOOCMWNKSA-N 1 0 277.433 3.471 20 10 CGCDRO c1cc(C[NH2+][C@@H]2CCC23CCCC3)cc2c1OCC2 ZINC000693833237 799816334 /nfs/dbraw/zinc/81/63/34/799816334.db2.gz SKRQQCHWDMBMNZ-MRXNPFEDSA-N 1 0 257.377 3.434 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)Cc1ccccn1)c1cc(F)ccc1O ZINC000694008096 799819876 /nfs/dbraw/zinc/81/98/76/799819876.db2.gz RFGGUHBQRYUFCC-NWDGAFQWSA-N 1 0 274.339 3.208 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@H](C)CC(F)F)c1O ZINC000697716047 799848266 /nfs/dbraw/zinc/84/82/66/799848266.db2.gz JAXALXQGZVZXCU-SNVBAGLBSA-N 1 0 257.324 3.336 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]CCSCC(F)(F)F ZINC000698943489 799857845 /nfs/dbraw/zinc/85/78/45/799857845.db2.gz ICKGAJLXPXUOFH-UHFFFAOYSA-N 1 0 299.745 3.431 20 10 CGCDRO C[C@H]([NH2+][C@H]1COC[C@@H]1C)c1ccc2ccccc2c1O ZINC000699475692 799861820 /nfs/dbraw/zinc/86/18/20/799861820.db2.gz MWJGINVQZWQBEJ-MKBNYLNASA-N 1 0 271.360 3.231 20 10 CGCDRO C[C@@]1(C[NH2+]Cc2cc(Cl)ccc2O)CC1(F)F ZINC000701803463 799894673 /nfs/dbraw/zinc/89/46/73/799894673.db2.gz OKAYCYUFIDEUHH-NSHDSACASA-N 1 0 261.699 3.181 20 10 CGCDRO Cc1ccc(O)c(C[NH+]2CCC(OC(C)C)CC2)c1 ZINC000702566280 799911262 /nfs/dbraw/zinc/91/12/62/799911262.db2.gz VNJUOPDUSCQJOE-UHFFFAOYSA-N 1 0 263.381 3.090 20 10 CGCDRO CO[C@@H](C[NH2+]Cc1cccc(C)c1O)C1CCCCC1 ZINC000702566350 799911616 /nfs/dbraw/zinc/91/16/16/799911616.db2.gz WPLRTSRJEUGRAL-INIZCTEOSA-N 1 0 277.408 3.386 20 10 CGCDRO Oc1cccc(Br)c1C[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000706831888 799967873 /nfs/dbraw/zinc/96/78/73/799967873.db2.gz SZQZTBLICGTBQT-QWRGUYRKSA-N 1 0 296.208 3.290 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2ccns2)c1 ZINC000715933879 800154793 /nfs/dbraw/zinc/15/47/93/800154793.db2.gz VLCWAZDZBNLKNT-NXEZZACHSA-N 1 0 278.377 3.269 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2ccns2)c1 ZINC000715933882 800155146 /nfs/dbraw/zinc/15/51/46/800155146.db2.gz VLCWAZDZBNLKNT-VHSXEESVSA-N 1 0 278.377 3.269 20 10 CGCDRO Cc1cccc(C[NH2+]C[C@@H]2CCC3(CCC3)CO2)c1O ZINC000716610169 800177226 /nfs/dbraw/zinc/17/72/26/800177226.db2.gz UPISGCXXWSCLJF-HNNXBMFYSA-N 1 0 275.392 3.140 20 10 CGCDRO C[C@@H]([NH2+]CC[C@H]1CC(C)(C)CO1)c1cc(F)ccc1O ZINC000717274752 800199035 /nfs/dbraw/zinc/19/90/35/800199035.db2.gz ULVIVMRUTIZVAT-YPMHNXCESA-N 1 0 281.371 3.387 20 10 CGCDRO COCC(C)(C)CC[NH2+][C@H](C)c1cc(C)ccc1O ZINC000718776929 800222456 /nfs/dbraw/zinc/22/24/56/800222456.db2.gz WVAPNJYYYZVABL-CYBMUJFWSA-N 1 0 265.397 3.414 20 10 CGCDRO COC(C)(C)[C@@H](C)[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000720200166 800254277 /nfs/dbraw/zinc/25/42/77/800254277.db2.gz BJBLUIGDEGRSDV-NWDGAFQWSA-N 1 0 251.370 3.165 20 10 CGCDRO COC(C)(C)[C@H](C)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000720246369 800254692 /nfs/dbraw/zinc/25/46/92/800254692.db2.gz FTTZOSVNDWJEJM-OLZOCXBDSA-N 1 0 264.413 3.217 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)[C@H]1CCCOC1 ZINC000723957319 800345629 /nfs/dbraw/zinc/34/56/29/800345629.db2.gz UVOIJFPBVZMNPJ-SOUVJXGZSA-N 1 0 275.392 3.174 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCO[C@@H](C3CCC3)C2)c1 ZINC000840174728 800497334 /nfs/dbraw/zinc/49/73/34/800497334.db2.gz BXBCXZVBQRYISH-MRXNPFEDSA-N 1 0 275.392 3.010 20 10 CGCDRO COc1ccc(C[N@H+](C)C2CC(C)(C)C2)c(O)c1OC ZINC000894861428 800578509 /nfs/dbraw/zinc/57/85/09/800578509.db2.gz UDPKXFJLKZLVAM-UHFFFAOYSA-N 1 0 279.380 3.030 20 10 CGCDRO Cc1cc(C)c(C[NH2+][C@H](C)Cc2ccncc2)c(O)c1 ZINC001256727783 806960412 /nfs/dbraw/zinc/96/04/12/806960412.db2.gz DYNSZMZZYOIBSV-CQSZACIVSA-N 1 0 270.376 3.125 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@H](C1CC1)N(C)C ZINC001116565886 802379137 /nfs/dbraw/zinc/37/91/37/802379137.db2.gz ZKVNCFGOPGZKED-VHDGCEQUSA-N 1 0 288.435 3.179 20 10 CGCDRO CC[C@H]([NH2+]C[C@H]1CCC[N@H+](CC)C1)c1ccc(F)cc1[O-] ZINC001117139603 802437054 /nfs/dbraw/zinc/43/70/54/802437054.db2.gz OHCNBLOHMNLOPY-CJNGLKHVSA-N 1 0 294.414 3.304 20 10 CGCDRO C[N@H+](Cc1cccn1C1CC1)Cc1ccccc1O ZINC001117783368 802493919 /nfs/dbraw/zinc/49/39/19/802493919.db2.gz HHKLMFJDAWBMNG-UHFFFAOYSA-N 1 0 256.349 3.161 20 10 CGCDRO c1cn(C2CC2)c(NCc2ccc(N3CCCC3)cc2)[nH+]1 ZINC001117944006 802511964 /nfs/dbraw/zinc/51/19/64/802511964.db2.gz COWHKBGGGUWRPP-UHFFFAOYSA-N 1 0 282.391 3.430 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCCC[C@H]1N(C)C ZINC001118012038 802519080 /nfs/dbraw/zinc/51/90/80/802519080.db2.gz LLZJYWAALOEIHL-QZTJIDSGSA-N 1 0 289.467 3.023 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+][C@@H]1CC[C@@H]3[C@H](C1)C3(F)F)CC2 ZINC001118489427 802576677 /nfs/dbraw/zinc/57/66/77/802576677.db2.gz LNVJVVLBJLCXIN-FVCCEPFGSA-N 1 0 279.330 3.403 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H]2CCCN(C3CCCC3)C2)c1O ZINC001256906340 807007649 /nfs/dbraw/zinc/00/76/49/807007649.db2.gz ADVNYNTUNXNLDE-MRXNPFEDSA-N 1 0 288.435 3.197 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(C2=C[NH2+]CCC2)cn1 ZINC001243949753 803094840 /nfs/dbraw/zinc/09/48/40/803094840.db2.gz IHOBMXRKGUWUBG-UHFFFAOYSA-N 1 0 253.349 3.213 20 10 CGCDRO Oc1cccc2c1C[N@H+](Cc1ccc(N3CCCC3)o1)CC2 ZINC001137070085 803678975 /nfs/dbraw/zinc/67/89/75/803678975.db2.gz ZCABSDBSRJYXQV-UHFFFAOYSA-N 1 0 298.386 3.144 20 10 CGCDRO Cc1c(C[N@@H+]2CC[C@]3(CCCO3)C2)c2ccccc2n1C ZINC001138252576 803880569 /nfs/dbraw/zinc/88/05/69/803880569.db2.gz MIMZSHPZSCJRHD-GOSISDBHSA-N 1 0 284.403 3.242 20 10 CGCDRO Cc1c(C[N@H+]2[C@@H]3CC[C@H]2CC(=O)C3)c2ccccc2n1C ZINC001138254512 803883196 /nfs/dbraw/zinc/88/31/96/803883196.db2.gz ZZLLQHVTCCBQSW-OKILXGFUSA-N 1 0 282.387 3.183 20 10 CGCDRO Cc1c(C[N@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)c2ccccc2n1C ZINC001138257946 803883843 /nfs/dbraw/zinc/88/38/43/803883843.db2.gz FHPJNXPCCJPEJW-XHVUQVIVSA-N 1 0 296.414 3.096 20 10 CGCDRO Cc1c(C[NH+]2CC3CC(C3)C2)c2ccccc2n1C ZINC001138259091 803884264 /nfs/dbraw/zinc/88/42/64/803884264.db2.gz AQKKOJMPIWREGG-UHFFFAOYSA-N 1 0 254.377 3.329 20 10 CGCDRO Oc1c(C[N@@H+]2CCC[C@@H]3C[C@@H]32)cc2c3c1CCCN3CCC2 ZINC001138342663 803898589 /nfs/dbraw/zinc/89/85/89/803898589.db2.gz VNFGJEIZOUCTTL-DYVFJYSZSA-N 1 0 298.430 3.075 20 10 CGCDRO Oc1c(C[N@@H+]2CCC[C@H]3C[C@H]32)cc2c3c1CCCN3CCC2 ZINC001138342665 803899125 /nfs/dbraw/zinc/89/91/25/803899125.db2.gz VNFGJEIZOUCTTL-SUMWQHHRSA-N 1 0 298.430 3.075 20 10 CGCDRO CN1CCCc2cc(C[N@@H+]3CCC[C@@](C)(F)C3)ccc21 ZINC001138354716 803900837 /nfs/dbraw/zinc/90/08/37/803900837.db2.gz RHWKJYJJKRVGBP-QGZVFWFLSA-N 1 0 276.399 3.393 20 10 CGCDRO CN1CCCc2cc(C[N@@H+]3CCC(C)(C)C3)ccc21 ZINC001138358741 803902544 /nfs/dbraw/zinc/90/25/44/803902544.db2.gz YXVBXKBSCFQENY-UHFFFAOYSA-N 1 0 258.409 3.301 20 10 CGCDRO Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+](C)C1CCCC1 ZINC001139129217 804134760 /nfs/dbraw/zinc/13/47/60/804134760.db2.gz QWAFBVYQYMQPAD-UHFFFAOYSA-N 1 0 287.359 3.181 20 10 CGCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@@H](COCC3CC3)C2)c1O ZINC001140183329 804396054 /nfs/dbraw/zinc/39/60/54/804396054.db2.gz CDXYTTARBIGOEG-MRXNPFEDSA-N 1 0 289.419 3.258 20 10 CGCDRO CO[C@H]1CCC[N@H+](Cc2c(C)ccc(C)c2O)CC1 ZINC001140181445 804396340 /nfs/dbraw/zinc/39/63/40/804396340.db2.gz BQEBVKZNGGNODH-AWEZNQCLSA-N 1 0 263.381 3.010 20 10 CGCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@H](c3ccncc3)C2)c1O ZINC001140180461 804396584 /nfs/dbraw/zinc/39/65/84/804396584.db2.gz XCTXOFUZCBDBNH-INIZCTEOSA-N 1 0 282.387 3.394 20 10 CGCDRO CCCCCN1CC[NH+](Cc2c(C)ccc(C)c2O)CC1 ZINC001140180378 804396817 /nfs/dbraw/zinc/39/68/17/804396817.db2.gz VVDOWRJMGXHZQF-UHFFFAOYSA-N 1 0 290.451 3.317 20 10 CGCDRO Cc1cc(C[N@@H+]2CCc3cccc(O)c3C2)c(C)cc1O ZINC001140201874 804400739 /nfs/dbraw/zinc/40/07/39/804400739.db2.gz DUDOFGVSXZCWDD-UHFFFAOYSA-N 1 0 283.371 3.273 20 10 CGCDRO C[C@H]1C[N@H+](Cc2c(O)cccc2Cl)CCC[C@@]1(C)O ZINC001140337894 804417632 /nfs/dbraw/zinc/41/76/32/804417632.db2.gz LMYUGBUEHBSYCW-XHDPSFHLSA-N 1 0 283.799 3.029 20 10 CGCDRO CC(C)[N@H+](Cc1c(O)cccc1Cl)C1CCN(C)CC1 ZINC001140342782 804420595 /nfs/dbraw/zinc/42/05/95/804420595.db2.gz YIDWQVPVRQITEV-UHFFFAOYSA-N 1 0 296.842 3.350 20 10 CGCDRO C[C@]1(F)CCN(Cc2ccc(Cl)cc2O)C[C@@H]1F ZINC001140462523 804440551 /nfs/dbraw/zinc/44/05/51/804440551.db2.gz IBMHYWRAPUNXTJ-STQMWFEESA-N 1 0 275.726 3.318 20 10 CGCDRO OCC[C@H]1CC12CC[NH+](Cc1ccc(Cl)cc1O)CC2 ZINC001140463226 804440939 /nfs/dbraw/zinc/44/09/39/804440939.db2.gz WMGHHCRIGBBHCB-ZDUSSCGKSA-N 1 0 295.810 3.030 20 10 CGCDRO Oc1cc(Cl)ccc1C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC001140466470 804443411 /nfs/dbraw/zinc/44/34/11/804443411.db2.gz GSLDUQDFZUMSFS-LBPRGKRZSA-N 1 0 273.710 3.277 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCC(=O)[C@H]3CCCC[C@@H]32)c1 ZINC001140617493 804476330 /nfs/dbraw/zinc/47/63/30/804476330.db2.gz REFQFNHRXYKFIM-GJZGRUSLSA-N 1 0 273.376 3.034 20 10 CGCDRO Cc1ccc(C[N@@H+](C)Cc2ccc(O)c(C)c2O)cc1 ZINC001140745318 804502648 /nfs/dbraw/zinc/50/26/48/804502648.db2.gz FORQMYRRDKQLIE-UHFFFAOYSA-N 1 0 271.360 3.347 20 10 CGCDRO Cc1c(O)ccc(C[NH+]2CC(c3ccccc3)C2)c1O ZINC001140749373 804504129 /nfs/dbraw/zinc/50/41/29/804504129.db2.gz XJBUKXHIWWYOLY-UHFFFAOYSA-N 1 0 269.344 3.006 20 10 CGCDRO Cc1c(O)ccc(C[N@H+](C)CCC(=O)c2ccccc2)c1O ZINC001140749027 804504317 /nfs/dbraw/zinc/50/43/17/804504317.db2.gz OWPHFBMNSMVRBQ-UHFFFAOYSA-N 1 0 299.370 3.111 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H]2C)c(O)c1 ZINC001140851859 804533199 /nfs/dbraw/zinc/53/31/99/804533199.db2.gz RRCOCZQFJCHDPB-ZDUSSCGKSA-N 1 0 262.397 3.223 20 10 CGCDRO CCN(CC)c1ccc(C[NH+]2CC3(CCC3)C2)c(O)c1 ZINC001140850527 804533570 /nfs/dbraw/zinc/53/35/70/804533570.db2.gz OBYQHDJGMGNZER-UHFFFAOYSA-N 1 0 274.408 3.224 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)c(Cl)c1 ZINC001140924018 804551037 /nfs/dbraw/zinc/55/10/37/804551037.db2.gz AUWJTBZOZCVXHL-WHOFXGATSA-N 1 0 282.790 3.338 20 10 CGCDRO Cc1ccc(C[N@H+]2CCN(C)C[C@@H]2c2ccccc2)c(O)c1 ZINC001140948347 804555702 /nfs/dbraw/zinc/55/57/02/804555702.db2.gz GBGJQQKRDACQOR-GOSISDBHSA-N 1 0 296.414 3.189 20 10 CGCDRO Cc1cccc(N2CC[NH+](Cc3ccc(C)cc3O)CC2)c1 ZINC001140948338 804555988 /nfs/dbraw/zinc/55/59/88/804555988.db2.gz FLJPRDZTJHJZHH-UHFFFAOYSA-N 1 0 296.414 3.331 20 10 CGCDRO COc1ccc2c(c1)CC[N@@H+](Cc1ccc(C)cc1O)C2 ZINC001140947880 804556399 /nfs/dbraw/zinc/55/63/99/804556399.db2.gz JGLVNSSYZCHOHT-UHFFFAOYSA-N 1 0 283.371 3.268 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](C)[C@H]2C)c(OC)c1 ZINC001141028204 804574982 /nfs/dbraw/zinc/57/49/82/804574982.db2.gz FUWZJNUALPNFFK-NWDGAFQWSA-N 1 0 279.380 3.030 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](C)C[C@@H]2C)c(OC)c1 ZINC001141028067 804575300 /nfs/dbraw/zinc/57/53/00/804575300.db2.gz AACJKJZHJPCNIQ-RYUDHWBXSA-N 1 0 279.380 3.030 20 10 CGCDRO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1ccc2c(c1)OCCN2C ZINC001141139085 804596409 /nfs/dbraw/zinc/59/64/09/804596409.db2.gz ILGMRQCESGKTAP-OKILXGFUSA-N 1 0 274.408 3.278 20 10 CGCDRO CN1CCOc2cc(C[NH+]3CC(c4ccccc4)C3)ccc21 ZINC001141143532 804596486 /nfs/dbraw/zinc/59/64/86/804596486.db2.gz COFXXMREEDTSHL-UHFFFAOYSA-N 1 0 294.398 3.115 20 10 CGCDRO C[C@@H]1CCCCC[N@@H+]1Cc1ccc2c(c1)OCCN2C ZINC001141143067 804596567 /nfs/dbraw/zinc/59/65/67/804596567.db2.gz LZZPBPQVJMICJL-CQSZACIVSA-N 1 0 274.408 3.280 20 10 CGCDRO C[C@@H]1CCC[N@H+](Cc2ccc3c(c2)OCCN3C)[C@@H]1C ZINC001141142831 804596589 /nfs/dbraw/zinc/59/65/89/804596589.db2.gz BYUPMMYIJMEKPQ-ZIAGYGMSSA-N 1 0 274.408 3.136 20 10 CGCDRO Cc1cccc2c1C[N@H+](Cc1ccc3c(c1)OCCN3C)C2 ZINC001141141453 804596695 /nfs/dbraw/zinc/59/66/95/804596695.db2.gz YXBPRQFZHNYVLF-UHFFFAOYSA-N 1 0 294.398 3.339 20 10 CGCDRO Oc1ccc(O)c(C[NH+]2CCC3(CC(F)(F)C3)CC2)c1 ZINC001141156893 804599788 /nfs/dbraw/zinc/59/97/88/804599788.db2.gz WTNRLNVNYUOMJN-UHFFFAOYSA-N 1 0 283.318 3.109 20 10 CGCDRO Cc1ccccc1O[C@H]1CC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141158449 804600317 /nfs/dbraw/zinc/60/03/17/804600317.db2.gz ACDXKUATRKXNAC-INIZCTEOSA-N 1 0 299.370 3.060 20 10 CGCDRO CC[N@H+](CCN(C)C)Cc1cccc(C(C)(C)C)c1O ZINC001143103912 804800994 /nfs/dbraw/zinc/80/09/94/804800994.db2.gz MXQGTOGQNIZOAE-UHFFFAOYSA-N 1 0 278.440 3.073 20 10 CGCDRO CO[C@H]1CCC[N@H+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143103616 804801271 /nfs/dbraw/zinc/80/12/71/804801271.db2.gz HKHKFWILNJXQQL-AWEZNQCLSA-N 1 0 277.408 3.301 20 10 CGCDRO C[NH+](C)C1CCN(Cc2cccc(C(C)(C)C)c2O)CC1 ZINC001143104780 804801381 /nfs/dbraw/zinc/80/13/81/804801381.db2.gz ZRKVSIMXKOJIFT-UHFFFAOYSA-N 1 0 290.451 3.216 20 10 CGCDRO CC(C)(C)c1cccc(C[N@@H+]2CC[C@@]3(CCCO3)C2)c1O ZINC001143104736 804801482 /nfs/dbraw/zinc/80/14/82/804801482.db2.gz YUPLFEYFPJJOIO-SFHVURJKSA-N 1 0 289.419 3.445 20 10 CGCDRO CC(C)(C)c1cccc(C[N@@H+]2CCC[C@H](O)CC2)c1O ZINC001143103783 804801804 /nfs/dbraw/zinc/80/18/04/804801804.db2.gz KEBJIWWVTZNVQA-AWEZNQCLSA-N 1 0 277.408 3.037 20 10 CGCDRO C[C@H]1C[C@H](O)CC[N@@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001143111478 804803661 /nfs/dbraw/zinc/80/36/61/804803661.db2.gz BYOBOSKMLLTJMT-GXTWGEPZSA-N 1 0 277.408 3.035 20 10 CGCDRO C[N@H+](Cc1cccc(C(C)(C)C)c1O)[C@@H]1CCCOC1 ZINC001143117220 804806516 /nfs/dbraw/zinc/80/65/16/804806516.db2.gz XWNPLODNOPDYTI-CQSZACIVSA-N 1 0 277.408 3.301 20 10 CGCDRO Cc1cc(C[N@H+]2CCC[C@@H]2C)c(O)cc1Br ZINC001250116931 805425623 /nfs/dbraw/zinc/42/56/23/805425623.db2.gz ISRJHDOQJSADKJ-JTQLQIEISA-N 1 0 284.197 3.447 20 10 CGCDRO CCN(Cc1ccccc1O)c1nc(C)nc2c1CCC2 ZINC001154889002 805504962 /nfs/dbraw/zinc/50/49/62/805504962.db2.gz OGGSXAXFSFBDTK-UHFFFAOYSA-N 1 0 283.375 3.006 20 10 CGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)[C@H]1CCO[C@@H](C)C1 ZINC001168138593 807320058 /nfs/dbraw/zinc/32/00/58/807320058.db2.gz AKSAMAIIFKALCR-YOEHRIQHSA-N 1 0 276.424 3.142 20 10 CGCDRO CC[C@@H](C)C[C@@H](CC)[NH2+]Cc1ccc(O)cc1O ZINC001258782251 807609475 /nfs/dbraw/zinc/60/94/75/807609475.db2.gz NDBDDDQNACWURW-DGCLKSJQSA-N 1 0 251.370 3.402 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(-n2ccc([C@@H](C)[NH3+])n2)cc1 ZINC001169231911 807609720 /nfs/dbraw/zinc/60/97/20/807609720.db2.gz WHAUPVUYTFRYBZ-CQSZACIVSA-N 1 0 280.375 3.300 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)c(Cl)c1 ZINC001261366865 807739840 /nfs/dbraw/zinc/73/98/40/807739840.db2.gz IIHBQQIVEBGMQS-MLGOLLRUSA-N 1 0 295.810 3.355 20 10 CGCDRO Cc1cc(N(C)C(C)(C)C[NH3+])ccc1OC(F)(F)F ZINC001170059268 807743232 /nfs/dbraw/zinc/74/32/32/807743232.db2.gz DZYLWGNITDYITB-UHFFFAOYSA-N 1 0 276.302 3.067 20 10 CGCDRO C[C@H](Cc1ccc(O)cc1)[N@H+](C)Cc1ccc(N)cc1 ZINC001262488027 807867696 /nfs/dbraw/zinc/86/76/96/807867696.db2.gz NNCYNUQYOOPZCK-CYBMUJFWSA-N 1 0 270.376 3.037 20 10 CGCDRO Oc1ccccc1C[NH2+][C@@H]1CCc2c(F)cccc2C1 ZINC001171398847 808045454 /nfs/dbraw/zinc/04/54/54/808045454.db2.gz ZYYKBESZKMPPHV-CQSZACIVSA-N 1 0 271.335 3.178 20 10 CGCDRO Cc1c(N)cc[nH+]c1NCc1cc2ccccc2cc1O ZINC001171399511 808045774 /nfs/dbraw/zinc/04/57/74/808045774.db2.gz IRSAOZITVHUFFW-UHFFFAOYSA-N 1 0 279.343 3.443 20 10 CGCDRO CC[N@H+](Cc1ccccc1O)[C@@H](C)CCOC(C)C ZINC001172458095 808328903 /nfs/dbraw/zinc/32/89/03/808328903.db2.gz YEWSZNUDDHEYOL-AWEZNQCLSA-N 1 0 265.397 3.418 20 10 CGCDRO CO[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC001172923139 808482106 /nfs/dbraw/zinc/48/21/06/808482106.db2.gz MCUDNXUWCBQRPM-JLJPHGGASA-N 1 0 276.424 3.361 20 10 CGCDRO CO[C@@H]1[C@@H](C)[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1(C)C ZINC001178304507 809859498 /nfs/dbraw/zinc/85/94/98/809859498.db2.gz KCCMNYHBYOHSHW-AFAVFJNCSA-N 1 0 289.419 3.161 20 10 CGCDRO CC[N@@H+]1C[C@H](C)N(Cc2cc(Cl)c(C)cc2O)C[C@@H]1C ZINC001180141337 809977363 /nfs/dbraw/zinc/97/73/63/809977363.db2.gz GEWQCMGWZPMMFY-STQMWFEESA-N 1 0 296.842 3.269 20 10 CGCDRO COc1cc(C)cc(C[NH2+]C[C@@H]2CCCC23CC3)c1O ZINC001183196670 810139738 /nfs/dbraw/zinc/13/97/38/810139738.db2.gz FSVFJVPDKHPGSF-AWEZNQCLSA-N 1 0 275.392 3.379 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](C3CCC3)C2)cc1 ZINC001195146367 811214661 /nfs/dbraw/zinc/21/46/61/811214661.db2.gz CONNOIAYVWTKAS-MRXNPFEDSA-N 1 0 258.409 3.375 20 10 CGCDRO c1ccc2c(c1)C[C@H]([NH2+]Cc1ccc3c(c1)CCCO3)CO2 ZINC001200331695 811678741 /nfs/dbraw/zinc/67/87/41/811678741.db2.gz AUGSTKBWCGAIQT-KRWDZBQOSA-N 1 0 295.382 3.105 20 10 CGCDRO COc1ccc(C[NH2+]CCC(=O)Nc2ccccc2)cc1C ZINC001200451092 811691444 /nfs/dbraw/zinc/69/14/44/811691444.db2.gz XDQGZSYHXXPJFA-UHFFFAOYSA-N 1 0 298.386 3.122 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccnn1-c1ccccc1)c1ccccc1O ZINC001203536134 812387680 /nfs/dbraw/zinc/38/76/80/812387680.db2.gz FTGVUTUJIJSOHO-CQSZACIVSA-N 1 0 293.370 3.429 20 10 CGCDRO CCC[N@H+](Cc1ccc(OC)cc1O)[C@H](C)CC ZINC001203617030 812407981 /nfs/dbraw/zinc/40/79/81/812407981.db2.gz GNLANHAAXLAVAD-GFCCVEGCSA-N 1 0 251.370 3.411 20 10 CGCDRO COc1ccc(C[N@@H+]2CCC[C@@H]2c2cccnc2)c(O)c1 ZINC001203620853 812409463 /nfs/dbraw/zinc/40/94/63/812409463.db2.gz JYTXZFGMVLXZFA-MRXNPFEDSA-N 1 0 284.359 3.133 20 10 CGCDRO C[N@H+](Cc1cc(Cl)ccc1O)C1CC(F)(F)C1 ZINC001203648838 812415911 /nfs/dbraw/zinc/41/59/11/812415911.db2.gz WZBFPCQRMZVKJU-UHFFFAOYSA-N 1 0 261.699 3.275 20 10 CGCDRO CCN(CC[NH+]1CCCCC1)Cc1ccc(N(C)C)cc1 ZINC001203937641 812498125 /nfs/dbraw/zinc/49/81/25/812498125.db2.gz IJIJGPOUZNZCII-UHFFFAOYSA-N 1 0 289.467 3.060 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCOC[C@H]2C(C)C)cc1 ZINC001203942908 812499281 /nfs/dbraw/zinc/49/92/81/812499281.db2.gz YDWXFDQONMANIO-SFHVURJKSA-N 1 0 290.451 3.390 20 10 CGCDRO CC(C)(C)C1CC[NH+](Cc2ccc(O)cc2O)CC1 ZINC001204273101 812591574 /nfs/dbraw/zinc/59/15/74/812591574.db2.gz YLDDXHILRAXSFC-UHFFFAOYSA-N 1 0 263.381 3.356 20 10 CGCDRO COc1cc(CN2CCc3ccccc3[C@H]2C)cc(O)c1O ZINC001204344659 812615980 /nfs/dbraw/zinc/61/59/80/812615980.db2.gz WQLDEBBCESAVOT-GFCCVEGCSA-N 1 0 299.370 3.226 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(CN2CCC[C@](C)([NH3+])C2)cc1 ZINC001204937561 812784496 /nfs/dbraw/zinc/78/44/96/812784496.db2.gz DWJDBADJONUQNF-IBGZPJMESA-N 1 0 297.446 3.407 20 10 CGCDRO [NH3+][C@H]1CCCN(Cc2c(O)ccc(Cl)c2Cl)CC1 ZINC001205123365 812876944 /nfs/dbraw/zinc/87/69/44/812876944.db2.gz AMHGBFVSPYZSRN-VIFPVBQESA-N 1 0 289.206 3.012 20 10 CGCDRO [NH3+][C@H]1CCCCN(Cc2c(O)ccc(Cl)c2Cl)C1 ZINC001205939260 813141675 /nfs/dbraw/zinc/14/16/75/813141675.db2.gz PCJODDZWALRYFX-VIFPVBQESA-N 1 0 289.206 3.012 20 10 CGCDRO COc1cc(C)c(C[NH2+]CCCC2CCOCC2)c(O)c1 ZINC001206032405 813172348 /nfs/dbraw/zinc/17/23/48/813172348.db2.gz SONKBANYZGHJAB-UHFFFAOYSA-N 1 0 293.407 3.006 20 10 CGCDRO C[N@@H+](Cc1ccc(N2CCCC2)cc1)C[C@H]1CCCOC1 ZINC001207467467 813569134 /nfs/dbraw/zinc/56/91/34/813569134.db2.gz FRHMYEKCTCSTGI-QGZVFWFLSA-N 1 0 288.435 3.145 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)CCCc2ccncc2)cc1 ZINC001209189702 813959298 /nfs/dbraw/zinc/95/92/98/813959298.db2.gz QFLYUAUPRNVXON-UHFFFAOYSA-N 1 0 283.419 3.212 20 10 CGCDRO CC[N@H+](CCOc1ccccc1)Cc1ccccc1O ZINC001209301309 813996503 /nfs/dbraw/zinc/99/65/03/813996503.db2.gz QMKCSHSINAIONQ-UHFFFAOYSA-N 1 0 271.360 3.293 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CC[C@@H](O)[C@H](C)C2)cc1 ZINC001209516170 814071652 /nfs/dbraw/zinc/07/16/52/814071652.db2.gz BOUUDOPPTLAOHE-AUUYWEPGSA-N 1 0 298.430 3.297 20 10 CGCDRO Oc1ccc(C(F)(F)F)cc1Nc1cc[nH+]c2c1CCC2 ZINC001209980287 814228633 /nfs/dbraw/zinc/22/86/33/814228633.db2.gz MBMXOCCUIUCTGJ-UHFFFAOYSA-N 1 0 294.276 3.460 20 10 CGCDRO C[NH+](C)Cc1cccc(Nc2ccc(N)cc2)c1F ZINC001216231341 815748384 /nfs/dbraw/zinc/74/83/84/815748384.db2.gz GUUWBTDGMLNUPG-UHFFFAOYSA-N 1 0 259.328 3.213 20 10 CGCDRO CCN1CCc2cc(O[C@@H]3C[NH2+]Cc4ccccc43)ccc21 ZINC001218491512 816244827 /nfs/dbraw/zinc/24/48/27/816244827.db2.gz VAPPPBGDZYZRBK-LJQANCHMSA-N 1 0 294.398 3.292 20 10 CGCDRO Cn1ccc2c1ccnc2-c1cnc(N2CCCCC2)nc1 ZINC001222095395 816346841 /nfs/dbraw/zinc/34/68/41/816346841.db2.gz OBGIOUCURUHFTH-UHFFFAOYSA-N 1 0 293.374 3.021 20 10 CGCDRO Cc1cc(O)c(CN2CCC[C@@]23CCC[NH2+]C3)cc1Cl ZINC001222248603 816385757 /nfs/dbraw/zinc/38/57/57/816385757.db2.gz LKABISISJVZASZ-MRXNPFEDSA-N 1 0 294.826 3.072 20 10 CGCDRO Oc1cc(Cl)ccc1CN1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222389598 816428973 /nfs/dbraw/zinc/42/89/73/816428973.db2.gz CLJZEECXGJMPGD-MRXNPFEDSA-N 1 0 294.826 3.154 20 10 CGCDRO CCc1ccc(CN2CCC[C@]3(CCCC[NH2+]3)C2)c(O)c1 ZINC001222394967 816431321 /nfs/dbraw/zinc/43/13/21/816431321.db2.gz DBUHBNOIVIISLN-GOSISDBHSA-N 1 0 288.435 3.063 20 10 CGCDRO c1c2ccccc2[nH]c1-c1ccc(N2CC[NH2+]CC2)cc1 ZINC001243107053 823250056 /nfs/dbraw/zinc/25/00/56/823250056.db2.gz BSXUJWKUADHHRH-UHFFFAOYSA-N 1 0 277.371 3.245 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCCC[C@@](C)(F)C2)c1O ZINC001231590636 818131425 /nfs/dbraw/zinc/13/14/25/818131425.db2.gz CNKBHTGQVRTNFT-OAHLLOKOSA-N 1 0 251.345 3.415 20 10 CGCDRO Cc1cccc(C[N@H+](C)CCC(=O)c2cccs2)c1O ZINC001231594416 818131438 /nfs/dbraw/zinc/13/14/38/818131438.db2.gz GQJJKUKQEOTFBH-UHFFFAOYSA-N 1 0 289.400 3.467 20 10 CGCDRO CCCCCC[NH+]1CCN(Cc2cccc(C)c2O)CC1 ZINC001231593260 818131726 /nfs/dbraw/zinc/13/17/26/818131726.db2.gz SFYHBUHFUVMCAZ-UHFFFAOYSA-N 1 0 290.451 3.399 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCC[C@H]2Cc2ccccn2)c1O ZINC001231591925 818132250 /nfs/dbraw/zinc/13/22/50/818132250.db2.gz COAOTFQHHPWBLX-KRWDZBQOSA-N 1 0 282.387 3.303 20 10 CGCDRO COc1cc(C[N@H+](C)[C@H]2CCc3ccccc32)c(O)cc1O ZINC001231640734 818143568 /nfs/dbraw/zinc/14/35/68/818143568.db2.gz UKPZBQOCIWLENT-HNNXBMFYSA-N 1 0 299.370 3.226 20 10 CGCDRO COc1cc(C[N@@H+]2CC[C@H](c3ccccc3)C2)c(O)cc1O ZINC001231634323 818143747 /nfs/dbraw/zinc/14/37/47/818143747.db2.gz LHFVYYPDFKWQHA-AWEZNQCLSA-N 1 0 299.370 3.096 20 10 CGCDRO CCCO[C@@H]1CC[N@H+](Cc2c(C)cc(C)cc2O)C1 ZINC001231844018 818186438 /nfs/dbraw/zinc/18/64/38/818186438.db2.gz DVGKLDXPJOBEGO-CQSZACIVSA-N 1 0 263.381 3.010 20 10 CGCDRO Cc1cc(C)c(C[N@@H+]2CC[C@H]3CCCO[C@@H]3C2)c(O)c1 ZINC001231844511 818187894 /nfs/dbraw/zinc/18/78/94/818187894.db2.gz LRVPXHJHKBJIRF-RHSMWYFYSA-N 1 0 275.392 3.010 20 10 CGCDRO COc1cc(N(C)C)ccc1C[NH+]1CCC(SC)CC1 ZINC001231853582 818188358 /nfs/dbraw/zinc/18/83/58/818188358.db2.gz MCDNZUUWYJWJOB-UHFFFAOYSA-N 1 0 294.464 3.089 20 10 CGCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H](F)CC1 ZINC001231849803 818188791 /nfs/dbraw/zinc/18/87/91/818188791.db2.gz ZLXCUGFEEYXZRA-AWEZNQCLSA-N 1 0 280.387 3.085 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2C[C@@H]3CCCC(=O)[C@H]3C2)cc1Cl ZINC001231871978 818193886 /nfs/dbraw/zinc/19/38/86/818193886.db2.gz TWZUEPIIZGQQTI-AAEUAGOBSA-N 1 0 293.794 3.155 20 10 CGCDRO C[C@@H]1C[C@@H](F)C[N@@H+]1Cc1ccc2ccccc2c1O ZINC001231879338 818200283 /nfs/dbraw/zinc/20/02/83/818200283.db2.gz BSEKUBYWFUZMCE-BXUZGUMPSA-N 1 0 259.324 3.478 20 10 CGCDRO CCCC[NH+]1CCN(Cc2ccc3ccccc3c2O)CC1 ZINC001231882754 818201521 /nfs/dbraw/zinc/20/15/21/818201521.db2.gz UOWFNZTXVKTLDS-UHFFFAOYSA-N 1 0 298.430 3.463 20 10 CGCDRO Cc1cc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)cc(C)n1 ZINC001232003221 818231604 /nfs/dbraw/zinc/23/16/04/818231604.db2.gz LGOPPIAOBNQQME-UHFFFAOYSA-N 1 0 283.419 3.396 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232194497 818274447 /nfs/dbraw/zinc/27/44/47/818274447.db2.gz IQJXTHQOFMNXFJ-CYBMUJFWSA-N 1 0 294.826 3.018 20 10 CGCDRO CN(C)c1ccc(C[NH+]2CCC3(CC(F)C3)CC2)c(O)c1 ZINC001232836011 818452222 /nfs/dbraw/zinc/45/22/22/818452222.db2.gz JSEHWBUIEQWLPW-UHFFFAOYSA-N 1 0 292.398 3.172 20 10 CGCDRO CCC(CC)[N@H+](C)Cc1ccc(N(C)C)cc1O ZINC001232839343 818452977 /nfs/dbraw/zinc/45/29/77/818452977.db2.gz HHJVJMLFWDYVKR-UHFFFAOYSA-N 1 0 250.386 3.079 20 10 CGCDRO CC(C)C1CC[NH+](Cc2ccc(N(C)C)cc2O)CC1 ZINC001232840018 818453594 /nfs/dbraw/zinc/45/35/94/818453594.db2.gz JZNQPGRLJUIICD-UHFFFAOYSA-N 1 0 276.424 3.326 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCCC3(CCC3)C2)c(O)c1 ZINC001232841717 818453635 /nfs/dbraw/zinc/45/36/35/818453635.db2.gz PNUVDNQSMZQBLP-UHFFFAOYSA-N 1 0 274.408 3.224 20 10 CGCDRO CC(C)(C)c1ccc(O)c(C[N@H+]2CCC[C@@H]2C(C)(C)O)c1 ZINC001233286880 818567207 /nfs/dbraw/zinc/56/72/07/818567207.db2.gz MRFCBVLVQHSVGO-MRXNPFEDSA-N 1 0 291.435 3.425 20 10 CGCDRO C[C@H]1CC[C@H](CO)C[N@@H+]1Cc1cc(C(C)(C)C)ccc1O ZINC001233284334 818567376 /nfs/dbraw/zinc/56/73/76/818567376.db2.gz QSUCJBKWZRSUSX-KBPBESRZSA-N 1 0 291.435 3.283 20 10 CGCDRO CC(=O)[C@@H]1CC[N@H+](Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001233286603 818567749 /nfs/dbraw/zinc/56/77/49/818567749.db2.gz AOSIWDXTWGBRIK-CYBMUJFWSA-N 1 0 275.392 3.101 20 10 CGCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CC[C@@]23CCOC3)c1 ZINC001233286798 818568348 /nfs/dbraw/zinc/56/83/48/818568348.db2.gz IZTHWNFIMUAQCM-KRWDZBQOSA-N 1 0 275.392 3.055 20 10 CGCDRO CC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(C(C)(C)C)ccc1O ZINC001233287565 818571159 /nfs/dbraw/zinc/57/11/59/818571159.db2.gz XCNHHRTYRFGMOV-HNNXBMFYSA-N 1 0 275.392 3.243 20 10 CGCDRO C[C@H]1C[N@H+](Cc2c([O-])ccc(F)c2F)C2(CC2)C1 ZINC001233336093 818589028 /nfs/dbraw/zinc/58/90/28/818589028.db2.gz YGEDKWMMQDKHNW-SECBINFHSA-N 1 0 253.292 3.045 20 10 CGCDRO Oc1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@@H](F)C1 ZINC001233454445 818624009 /nfs/dbraw/zinc/62/40/09/818624009.db2.gz VJMVTALXIODWDE-LLVKDONJSA-N 1 0 277.261 3.345 20 10 CGCDRO Oc1c(C[N@@H+]2CCCC23CC3)cccc1OC(F)(F)F ZINC001233727236 818692157 /nfs/dbraw/zinc/69/21/57/818692157.db2.gz KTVLLBCPDWPJSU-UHFFFAOYSA-N 1 0 287.281 3.419 20 10 CGCDRO OC[C@H]1CCCC[N@@H+]1Cc1cccc(-c2ccccc2)c1O ZINC001234992261 818969364 /nfs/dbraw/zinc/96/93/64/818969364.db2.gz OEQMNOCJNDWYIU-QGZVFWFLSA-N 1 0 297.398 3.406 20 10 CGCDRO Oc1c(CN2CCC23COC3)cccc1-c1ccccc1 ZINC001234996876 818972803 /nfs/dbraw/zinc/97/28/03/818972803.db2.gz OGLCXTPHLACMAY-UHFFFAOYSA-N 1 0 281.355 3.034 20 10 CGCDRO CC(=O)C[N@@H+](C)Cc1cccc(-c2ccccc2)c1O ZINC001235000428 818975074 /nfs/dbraw/zinc/97/50/74/818975074.db2.gz IHDLXVVOVHMTBE-UHFFFAOYSA-N 1 0 269.344 3.080 20 10 CGCDRO CCc1ccc(CN2CCCC[C@]23CCC[NH2+]C3)c(O)c1 ZINC001235180419 819026084 /nfs/dbraw/zinc/02/60/84/819026084.db2.gz XDOHHXUTCXIRSQ-GOSISDBHSA-N 1 0 288.435 3.063 20 10 CGCDRO C[C@H]1CC[C@@H](CO)[N@@H+]1Cc1ccc(C(C)(C)C)cc1O ZINC001235674238 819134699 /nfs/dbraw/zinc/13/46/99/819134699.db2.gz DUSLZIJTXWPPIE-WFASDCNBSA-N 1 0 277.408 3.035 20 10 CGCDRO Cc1cc(C)c(C[N@@H+]2CCN[C@H](c3ccccc3)C2)c(O)c1 ZINC001235857485 819187603 /nfs/dbraw/zinc/18/76/03/819187603.db2.gz URGQSZCBRIGUIJ-SFHVURJKSA-N 1 0 296.414 3.156 20 10 CGCDRO Cc1cc(CN2C[C@@H]([NH3+])CC[C@@H]2C)c(C)n1-c1ccccc1 ZINC001235892469 819201264 /nfs/dbraw/zinc/20/12/64/819201264.db2.gz RHFUVEOLPVLXLB-KSSFIOAISA-N 1 0 297.446 3.406 20 10 CGCDRO CCN(CC)c1ccc(CN(CC)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236004641 819271013 /nfs/dbraw/zinc/27/10/13/819271013.db2.gz HBKDERKZABXMKK-GOSISDBHSA-N 1 0 289.467 3.107 20 10 CGCDRO CCCC[C@H]1CN(Cc2c(C)n(C)c3ccccc32)CC[NH2+]1 ZINC001236138970 819340154 /nfs/dbraw/zinc/34/01/54/819340154.db2.gz KQAOGBLAEKUBGJ-INIZCTEOSA-N 1 0 299.462 3.451 20 10 CGCDRO CN(C)c1ccc(CN(C)[C@H]2CCCC[C@H]2[NH3+])c(Cl)c1 ZINC001236213299 819375702 /nfs/dbraw/zinc/37/57/02/819375702.db2.gz ASPYPEUHIUQGND-CVEARBPZSA-N 1 0 295.858 3.108 20 10 CGCDRO C[NH2+]C[C@H]1CCCN1Cc1ccc(-n2c(C)ccc2C)cc1 ZINC001236416557 819462045 /nfs/dbraw/zinc/46/20/45/819462045.db2.gz GJHNFCQOZMQLBV-LJQANCHMSA-N 1 0 297.446 3.278 20 10 CGCDRO CCc1ccc(C[N@@H+]2CC[C@](C)(CF)C2)c(O)c1 ZINC001236783610 819593925 /nfs/dbraw/zinc/59/39/25/819593925.db2.gz NECRFVQWHOAEGD-OAHLLOKOSA-N 1 0 251.345 3.136 20 10 CGCDRO CCc1ccc(C[N@@H+]2CCn3cccc3[C@H]2C)c(O)c1 ZINC001236786357 819595011 /nfs/dbraw/zinc/59/50/11/819595011.db2.gz AMYBUQAYJVYMCO-CYBMUJFWSA-N 1 0 270.376 3.333 20 10 CGCDRO CCC[N@@H+](Cc1cc(Cl)cc(C)c1O)C[C@H]1CC[NH2+]C1 ZINC001236842686 819619273 /nfs/dbraw/zinc/61/92/73/819619273.db2.gz HJFGNGDGQXEBGW-ZDUSSCGKSA-N 1 0 296.842 3.176 20 10 CGCDRO CC[N@H+](Cc1ccc(N2CCOCC2)cc1Cl)C1CC1 ZINC001236928117 819638431 /nfs/dbraw/zinc/63/84/31/819638431.db2.gz IALXWHYTAYPNAQ-UHFFFAOYSA-N 1 0 294.826 3.161 20 10 CGCDRO CC(C)c1ccc(CN2CC[NH+](C(C)C)CC2)c(O)c1 ZINC001237047017 819650935 /nfs/dbraw/zinc/65/09/35/819650935.db2.gz YOROBKZZNUFMPT-UHFFFAOYSA-N 1 0 276.424 3.042 20 10 CGCDRO CC(C)c1ccc(C[N@H+]2CCOC[C@@H]2C(C)C)c(O)c1 ZINC001237048394 819651980 /nfs/dbraw/zinc/65/19/80/819651980.db2.gz FBPQPTZPMWOWQX-MRXNPFEDSA-N 1 0 277.408 3.372 20 10 CGCDRO Oc1cc(OCC(F)(F)F)ccc1C[NH+]1CCCCC1 ZINC001237051092 819652363 /nfs/dbraw/zinc/65/23/63/819652363.db2.gz HJHHHRUTFMZIMR-UHFFFAOYSA-N 1 0 289.297 3.319 20 10 CGCDRO C[C@@H]1CCC[N@@H+]1Cc1ccc(OCC(F)(F)F)cc1O ZINC001237052398 819652856 /nfs/dbraw/zinc/65/28/56/819652856.db2.gz XGVBXAPGKYFXJT-SNVBAGLBSA-N 1 0 289.297 3.318 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)c(O)c1 ZINC001237054370 819654412 /nfs/dbraw/zinc/65/44/12/819654412.db2.gz XCHZPNDPURQMJA-SOUVJXGZSA-N 1 0 263.356 3.448 20 10 CGCDRO Oc1ccc(F)c(Cl)c1C[N@@H+]1CC[C@]2(C1)CCCCO2 ZINC001237124210 819672504 /nfs/dbraw/zinc/67/25/04/819672504.db2.gz NCCKTDIFQFCZAK-HNNXBMFYSA-N 1 0 299.773 3.330 20 10 CGCDRO CC1(C)C[N@H+](Cc2c(O)ccc(F)c2Cl)CCCO1 ZINC001237126623 819673359 /nfs/dbraw/zinc/67/33/59/819673359.db2.gz NVZIVDUDPZVXOT-UHFFFAOYSA-N 1 0 287.762 3.186 20 10 CGCDRO Oc1ccc(C(F)(F)F)cc1C[N@@H+]1C[C@H]2[C@H](CF)[C@H]2C1 ZINC001237142329 819676778 /nfs/dbraw/zinc/67/67/78/819676778.db2.gz HNHJNYJDAVNDNC-CNDDSTCGSA-N 1 0 289.272 3.058 20 10 CGCDRO Oc1cc(Cl)c(F)cc1CN1CC[NH2+]C2=CCCC[C@@H]21 ZINC001237231362 819706425 /nfs/dbraw/zinc/70/64/25/819706425.db2.gz XBYXJHDQLNCJGR-AWEZNQCLSA-N 1 0 296.773 3.026 20 10 CGCDRO Oc1ccc(F)c(Cl)c1CN1CC[NH2+]C2=CCCC[C@@H]21 ZINC001237231041 819706690 /nfs/dbraw/zinc/70/66/90/819706690.db2.gz UWHPKVRNAOZFLQ-ZDUSSCGKSA-N 1 0 296.773 3.026 20 10 CGCDRO Cc1ccccc1N1CC[NH+](Cc2c(C)cccc2O)CC1 ZINC001237482145 819760513 /nfs/dbraw/zinc/76/05/13/819760513.db2.gz JTDLETBYGJPRIE-UHFFFAOYSA-N 1 0 296.414 3.331 20 10 CGCDRO Cc1cccc(O)c1C[N@H+](C)CCC(=O)c1ccccc1 ZINC001237488499 819762048 /nfs/dbraw/zinc/76/20/48/819762048.db2.gz ZBNCQZCBIUZUDP-UHFFFAOYSA-N 1 0 283.371 3.405 20 10 CGCDRO Cc1cccc(O)c1C[N@H+]1CCN(C)[C@H](c2ccccc2)C1 ZINC001237489095 819762115 /nfs/dbraw/zinc/76/21/15/819762115.db2.gz FGCBWBDDCLHVMR-SFHVURJKSA-N 1 0 296.414 3.189 20 10 CGCDRO CC[NH+](CC)Cc1cc(Br)c(C)cc1O ZINC001237678197 819803903 /nfs/dbraw/zinc/80/39/03/819803903.db2.gz WTFQQMUZOOTWIF-UHFFFAOYSA-N 1 0 272.186 3.305 20 10 CGCDRO Cc1cc(F)cc(C[N@@H+]2CCCC[C@@H](F)C2)c1O ZINC001238057746 819919277 /nfs/dbraw/zinc/91/92/77/819919277.db2.gz MBUIOLCRKMMOOM-GFCCVEGCSA-N 1 0 255.308 3.164 20 10 CGCDRO Cc1cc(F)cc(C[N@@H+]2CCOc3ccccc3C2)c1O ZINC001238062243 819920566 /nfs/dbraw/zinc/92/05/66/819920566.db2.gz OEFZFAZHEVNGTJ-UHFFFAOYSA-N 1 0 287.334 3.234 20 10 CGCDRO Cc1cnc2c(c1)C[N@@H+](Cc1cc(F)cc(C)c1O)CC2 ZINC001238066100 819923219 /nfs/dbraw/zinc/92/32/19/819923219.db2.gz HXECUKOKSUXOTF-UHFFFAOYSA-N 1 0 286.350 3.101 20 10 CGCDRO CC(C)Oc1cncc(C[N@@H+]2CCc3cccc(O)c3C2)c1 ZINC001238472471 820012634 /nfs/dbraw/zinc/01/26/34/820012634.db2.gz YBBXWODIGAVFCQ-UHFFFAOYSA-N 1 0 298.386 3.133 20 10 CGCDRO Cn1ccc2ccc(-c3c[nH+]ccc3N3CCOCC3)cc21 ZINC001240574721 821159455 /nfs/dbraw/zinc/15/94/55/821159455.db2.gz ZKJGMCYRIRWSQK-UHFFFAOYSA-N 1 0 293.370 3.077 20 10 CGCDRO Cc1c[nH]c2ncc(-c3[nH+]ccc4c3ccn4C)cc12 ZINC001240945808 821433684 /nfs/dbraw/zinc/43/36/84/821433684.db2.gz LDKZWXPPBIIVNH-UHFFFAOYSA-N 1 0 262.316 3.425 20 10 CGCDRO Cn1ccc2c1cc[nH+]c2-c1ccc(OC(F)F)nc1 ZINC001242417675 822987609 /nfs/dbraw/zinc/98/76/09/822987609.db2.gz LQJDXZRWGPPISI-UHFFFAOYSA-N 1 0 275.258 3.237 20 10 CGCDRO c1cc(N2CCCC2)ccc1C[NH2+]CC[C@@H]1CCCOC1 ZINC001334909672 936121394 /nfs/dbraw/zinc/12/13/94/936121394.db2.gz VAARFLJLKFXYTI-KRWDZBQOSA-N 1 0 288.435 3.193 20 10 CGCDRO CN(C)c1cc(F)c(C[NH2+]C2(C3CC3)CC2)cc1F ZINC001334890930 936121719 /nfs/dbraw/zinc/12/17/19/936121719.db2.gz PEWGUSGVGDLGJO-UHFFFAOYSA-N 1 0 266.335 3.063 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CCc2n[nH]cc2C1 ZINC001342410177 936466363 /nfs/dbraw/zinc/46/63/63/936466363.db2.gz YQLALFQODXYNIM-KYOSRNDESA-N 1 0 297.402 3.119 20 10 CGCDRO Cc1ccc(N(CC2CC2)C(=O)C2=CCC[NH2+]CC2)cc1 ZINC001342378930 936466455 /nfs/dbraw/zinc/46/64/55/936466455.db2.gz HGEBEEPFBWUTFT-UHFFFAOYSA-N 1 0 284.403 3.048 20 10 CGCDRO CC[C@@H]1OCC[C@H]1[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC001345076124 936800520 /nfs/dbraw/zinc/80/05/20/936800520.db2.gz DADSFIJPQFOLSB-CXTNEJHOSA-N 1 0 275.392 3.406 20 10 CGCDRO Nc1ccc(C[N@@H+]2CCCC[C@H]2[C@H](O)c2ccccc2)cc1 ZINC001345159307 936804535 /nfs/dbraw/zinc/80/45/35/936804535.db2.gz FWQJRMPVQAMJMS-RBUKOAKNSA-N 1 0 296.414 3.357 20 10 CGCDRO CC[C@H]([NH2+]CCCC[NH3+])c1ccc(C(F)(F)F)cc1O ZINC001348854076 936936499 /nfs/dbraw/zinc/93/64/99/936936499.db2.gz XFQHSNMTOFOVSZ-LBPRGKRZSA-N 1 0 290.329 3.191 20 10 CGCDRO c1cc(N2CCCC2)ccc1CN1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001352790586 937049404 /nfs/dbraw/zinc/04/94/04/937049404.db2.gz RUQYVJTUUXAITM-LJQANCHMSA-N 1 0 299.462 3.005 20 10 CGCDRO Nc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)cc1 ZINC001352789549 937049589 /nfs/dbraw/zinc/04/95/89/937049589.db2.gz KKDDYALLGFICAU-QGZVFWFLSA-N 1 0 268.360 3.312 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2CCC[C@@H](F)C2)cc1C ZINC001345932915 926696742 /nfs/dbraw/zinc/69/67/42/926696742.db2.gz ZXUBVSAYLTWUGL-KGLIPLIRSA-N 1 0 251.345 3.374 20 10 CGCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)c1O ZINC001140178223 926714854 /nfs/dbraw/zinc/71/48/54/926714854.db2.gz CZPFQPNUCHGXGX-HOCLYGCPSA-N 1 0 275.392 3.010 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCSCC2)c1 ZINC000692463918 926828635 /nfs/dbraw/zinc/82/86/35/926828635.db2.gz CPYRXKWJLGSELD-RYUDHWBXSA-N 1 0 281.421 3.337 20 10 CGCDRO Cc1cc(O)c(C[NH+]2C[C@@H](C)[C@H](C)C2)c(Cl)c1 ZINC001560687310 937234852 /nfs/dbraw/zinc/23/48/52/937234852.db2.gz JWXYEKQUWOAPCZ-GHMZBOCLSA-N 1 0 253.773 3.442 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]C[C@@H]1C[C@H]1C1CCCC1 ZINC001561051911 937239803 /nfs/dbraw/zinc/23/98/03/937239803.db2.gz MKZMERCGWNLPOD-WFASDCNBSA-N 1 0 263.356 3.447 20 10 CGCDRO Cc1ccc(C)c(C[N@@H+]2CCC[C@H](F)CC2)c1O ZINC001140178610 931957160 /nfs/dbraw/zinc/95/71/60/931957160.db2.gz QMEXNJYGQHTEQT-ZDUSSCGKSA-N 1 0 251.345 3.333 20 10 CGCDRO C[C@@H]1CC[C@H](C[NH2+]Cc2ccc(N(C)C)c(F)c2)C1 ZINC001461483363 937583144 /nfs/dbraw/zinc/58/31/44/937583144.db2.gz YMOZAIOPUMDWFU-OLZOCXBDSA-N 1 0 264.388 3.418 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)ncn2C)c1ccccc1O ZINC001461732815 937594697 /nfs/dbraw/zinc/59/46/97/937594697.db2.gz XUFLEAVQTOUVOX-GFCCVEGCSA-N 1 0 281.359 3.130 20 10 CGCDRO CCC[C@@H]1CN(C/C=C\c2ccc(N(C)C)cc2)CCO1 ZINC001461963813 937609384 /nfs/dbraw/zinc/60/93/84/937609384.db2.gz WVAJAKNANPCBHH-LZCIBIBXSA-N 1 0 288.435 3.267 20 10 CGCDRO COC[C@@H]1CCCC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001462046424 937614465 /nfs/dbraw/zinc/61/44/65/937614465.db2.gz QRAPHGXQZMUKBC-GFCCVEGCSA-N 1 0 283.799 3.294 20 10 CGCDRO C[C@@H](O)[C@H]([NH2+]Cc1ccc(Cl)cc1O)c1ccccc1 ZINC001462479297 937644353 /nfs/dbraw/zinc/64/43/53/937644353.db2.gz NOSUIAHZXQPMOP-BZNIZROVSA-N 1 0 291.778 3.257 20 10 CGCDRO CO[C@@H]1C[C@@H]([NH2+]Cc2c(O)cc(C)cc2Cl)C12CCC2 ZINC001308431683 933110097 /nfs/dbraw/zinc/11/00/97/933110097.db2.gz SNWFINBLOIQELG-HUUCEWRRSA-N 1 0 295.810 3.401 20 10 CGCDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC001308516266 933123389 /nfs/dbraw/zinc/12/33/89/933123389.db2.gz CXFGWHNQXMWACA-XHSDSOJGSA-N 1 0 296.414 3.167 20 10 CGCDRO CC(C)(C)CC[NH+]1CCN(Cc2cc(F)ccc2O)CC1 ZINC001308578661 933136466 /nfs/dbraw/zinc/13/64/66/933136466.db2.gz RBPAOMABFVMUPV-UHFFFAOYSA-N 1 0 294.414 3.085 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+][C@H](C)[C@@H]2CCCOC2)c1 ZINC001308634389 933146878 /nfs/dbraw/zinc/14/68/78/933146878.db2.gz FPISCDPZLBFCPH-UKRRQHHQSA-N 1 0 277.408 3.420 20 10 CGCDRO CCN1CCC([N@H+](C)Cc2cc(C(C)C)ccc2O)CC1 ZINC001308660829 933151823 /nfs/dbraw/zinc/15/18/23/933151823.db2.gz MOZVIYIOGSOIML-UHFFFAOYSA-N 1 0 290.451 3.432 20 10 CGCDRO C[C@H]([NH2+]Cc1cc(F)ccc1O)c1ccccc1O ZINC001308901591 933199845 /nfs/dbraw/zinc/19/98/45/933199845.db2.gz JSODZUDRJRSAEG-JTQLQIEISA-N 1 0 261.296 3.088 20 10 CGCDRO CCCC1CC[NH+](Cc2c(O)cccc2OC)CC1 ZINC001319814997 933936128 /nfs/dbraw/zinc/93/61/28/933936128.db2.gz LSEPMTPWNUCESX-UHFFFAOYSA-N 1 0 263.381 3.413 20 10 CGCDRO CN(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC001320072075 933992076 /nfs/dbraw/zinc/99/20/76/933992076.db2.gz QWBCIWJBKWCLON-UONOGXRCSA-N 1 0 282.815 3.008 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CCC[C@@H]1CCO ZINC001324228294 934473970 /nfs/dbraw/zinc/47/39/70/934473970.db2.gz QIWUHAXLEVGGPA-TUVASFSCSA-N 1 0 289.419 3.390 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CCn2ccnc2C1 ZINC001324228979 934473986 /nfs/dbraw/zinc/47/39/86/934473986.db2.gz YAHUUJUJHPYSFQ-RDBSUJKOSA-N 1 0 297.402 3.050 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2C)[C@H](O)C(F)F ZINC001324848806 934865837 /nfs/dbraw/zinc/86/58/37/934865837.db2.gz SATRBKAOBUUFSU-RSQPEXBXSA-N 1 0 299.361 3.243 20 10 CGCDRO CC[C@@H](C)[NH+]1CCN(Cc2ccc(N(C)CC)cc2)CC1 ZINC001473475802 937808106 /nfs/dbraw/zinc/80/81/06/937808106.db2.gz WAKFLHLTAYYAMQ-MRXNPFEDSA-N 1 0 289.467 3.059 20 10 CGCDRO Cc1cccnc1C[NH2+]Cc1ccc(N(C)C)cc1C ZINC001325158379 934891450 /nfs/dbraw/zinc/89/14/50/934891450.db2.gz QRRSJJCNDJZJGS-UHFFFAOYSA-N 1 0 269.392 3.054 20 10 CGCDRO CO[C@@]1(C)CCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001326831628 935011790 /nfs/dbraw/zinc/01/17/90/935011790.db2.gz IINPLPZPZMFWQZ-SFHVURJKSA-N 1 0 288.435 3.288 20 10 CGCDRO CCO[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3C)C1 ZINC001327375348 935056947 /nfs/dbraw/zinc/05/69/47/935056947.db2.gz LNSQXXBTDINUBG-FQUUOJAGSA-N 1 0 275.392 3.406 20 10 CGCDRO CC(C)[C@@H](O)C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC001327499613 935064956 /nfs/dbraw/zinc/06/49/56/935064956.db2.gz QLHPLZCZZDPLCI-SFHVURJKSA-N 1 0 290.451 3.126 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2Cc3ccc(O)cc3C3(CC3)C2)c1 ZINC001327632683 935074440 /nfs/dbraw/zinc/07/44/40/935074440.db2.gz SMRKECQADLWPIO-UHFFFAOYSA-N 1 0 295.382 3.454 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)c(O)c1 ZINC001331741631 935406730 /nfs/dbraw/zinc/40/67/30/935406730.db2.gz KWSRAPIMMOZPLX-FRRDWIJNSA-N 1 0 267.319 3.224 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCC2CCOCC2)cc1Cl ZINC001333887835 936073794 /nfs/dbraw/zinc/07/37/94/936073794.db2.gz HXXVZSPVBKFLFC-UHFFFAOYSA-N 1 0 283.799 3.260 20 10 CGCDRO C[C@H]1C[C@H](c2cccnc2)[N@H+](Cc2ccc(N)cc2)C1 ZINC001334774152 936113032 /nfs/dbraw/zinc/11/30/32/936113032.db2.gz DVPHIOAREBBFQP-SUMWQHHRSA-N 1 0 267.376 3.247 20 10 CGCDRO C[C@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1ccc(N)cc1 ZINC001336287090 936186107 /nfs/dbraw/zinc/18/61/07/936186107.db2.gz XJBAZYVKXREWML-CMPLNLGQSA-N 1 0 272.314 3.432 20 10 CGCDRO C[C@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1ccc(N)cc1 ZINC001336287091 936186160 /nfs/dbraw/zinc/18/61/60/936186160.db2.gz XJBAZYVKXREWML-JQWIXIFHSA-N 1 0 272.314 3.432 20 10 CGCDRO Nc1ccc(C[N@@H+]2CCC[C@H](OC3CCC3)CC2)cc1 ZINC001336284731 936186294 /nfs/dbraw/zinc/18/62/94/936186294.db2.gz CEFROZHSZWFQEU-KRWDZBQOSA-N 1 0 274.408 3.192 20 10 CGCDRO COc1ccccc1C1([NH2+]Cc2ccc(N)cc2)CCC1 ZINC001337838759 936293679 /nfs/dbraw/zinc/29/36/79/936293679.db2.gz SNZRRKIWWDJKNR-UHFFFAOYSA-N 1 0 282.387 3.446 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@H](CC)COC)cc1C ZINC001474020254 937835994 /nfs/dbraw/zinc/83/59/94/937835994.db2.gz QMWTYJVJXFPUKV-OAHLLOKOSA-N 1 0 265.397 3.298 20 10 CGCDRO CCCOc1ccc(C[NH2+]C[C@H](OC)C2CC2)cc1C ZINC001474161406 937842304 /nfs/dbraw/zinc/84/23/04/937842304.db2.gz QMBSIYGPUZBHTL-KRWDZBQOSA-N 1 0 277.408 3.298 20 10 CGCDRO COC[C@@H](C[NH2+]Cc1c(O)cccc1Cl)C(C)C ZINC001474279043 937847689 /nfs/dbraw/zinc/84/76/89/937847689.db2.gz FZKPWMOKAYVBCP-LLVKDONJSA-N 1 0 271.788 3.054 20 10 CGCDRO Cc1ccc(C[N@H+](C)CCOCc2ccccc2)c(O)c1 ZINC001474353946 937853539 /nfs/dbraw/zinc/85/35/39/937853539.db2.gz YDDJFYAVGVMGMX-UHFFFAOYSA-N 1 0 285.387 3.349 20 10 CGCDRO CCCCC[N@H+](CCO)Cc1ccc(Cl)cc1O ZINC001474414084 937858060 /nfs/dbraw/zinc/85/80/60/937858060.db2.gz MTBUTDOKOQHNMW-UHFFFAOYSA-N 1 0 271.788 3.030 20 10 CGCDRO COC1CC(C[NH2+][C@H](C)Cc2ccc(N(C)C)cc2C)C1 ZINC001474585351 937868712 /nfs/dbraw/zinc/86/87/12/937868712.db2.gz QPUCHGDTHKNKBT-KSTDHSDQSA-N 1 0 290.451 3.007 20 10 CGCDRO Cc1ccc(C[NH2+]C[C@H]2CCN2C2CCCCC2)c(O)c1 ZINC001474631190 937871468 /nfs/dbraw/zinc/87/14/68/937871468.db2.gz ZGWOPDBPAGQMRD-QGZVFWFLSA-N 1 0 288.435 3.197 20 10 CGCDRO CC[C@@H](C[NH2+]Cc1ccc(C)cc1O)C(=O)OC(C)(C)C ZINC001474715351 937876717 /nfs/dbraw/zinc/87/67/17/937876717.db2.gz GOVIEHDBXIDGFD-ZDUSSCGKSA-N 1 0 293.407 3.158 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C[C@H]2C[C@H]2Cc2ccccc2)c1 ZINC001474752387 937878698 /nfs/dbraw/zinc/87/86/98/937878698.db2.gz WXFNMTFKDLXPAC-HZPDHXFCSA-N 1 0 297.398 3.369 20 10 CGCDRO CCC[N@H+](Cc1ccccc1O)[C@H](C(=O)OC)[C@H](C)CC ZINC001559570941 938229731 /nfs/dbraw/zinc/22/97/31/938229731.db2.gz HGEINEUCSMUKGI-CJNGLKHVSA-N 1 0 293.407 3.192 20 10 CGCDRO CC[C@@H]([NH2+]Cc1c(C)c2ccccc2n1C)[C@H](O)C(C)C ZINC001560506015 938261007 /nfs/dbraw/zinc/26/10/07/938261007.db2.gz OICXBWONBCFNLR-CRAIPNDOSA-N 1 0 288.435 3.372 20 10 CGCDRO Cc1cc(O)c(CN2CCOC(C)(C)[C@@H]2C)cc1Cl ZINC001560688050 938270266 /nfs/dbraw/zinc/27/02/66/938270266.db2.gz WLXFQCUIOHATEH-NSHDSACASA-N 1 0 283.799 3.353 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+][C@H](CO)C(C)(C)C)c1 ZINC001560741034 938273439 /nfs/dbraw/zinc/27/34/39/938273439.db2.gz JTIDRDIAKHZXHY-OAHLLOKOSA-N 1 0 265.397 3.012 20 10 CGCDRO Cc1cc(O)c(C[N@@H+](CCN(C)C)CC(C)C)cc1Cl ZINC001560816630 938277515 /nfs/dbraw/zinc/27/75/15/938277515.db2.gz ZDJKPLYBNXLTMX-UHFFFAOYSA-N 1 0 298.858 3.374 20 10 CGCDRO CO[C@@]1(C[NH2+]Cc2cc(C(C)C)ccc2O)CCSC1 ZINC001561016153 938289766 /nfs/dbraw/zinc/28/97/66/938289766.db2.gz PGUJSYTYNCILLU-MRXNPFEDSA-N 1 0 295.448 3.127 20 10 CGCDRO COC(C)(C)[C@@H](C)[NH2+]Cc1cc(C(C)C)ccc1O ZINC001561016568 938289778 /nfs/dbraw/zinc/28/97/78/938289778.db2.gz BRBXLQZNWVTLML-GFCCVEGCSA-N 1 0 265.397 3.419 20 10 CGCDRO COc1cc(O)c(C[NH2+][C@H]2CCC[C@@H](C)CC2)cc1OC ZINC000191174191 958808909 /nfs/dbraw/zinc/80/89/09/958808909.db2.gz FNXOXOLVGCBZDB-OCCSQVGLSA-N 1 0 293.407 3.468 20 10 CGCDRO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)CC1(C[NH3+])CCC1 ZINC001575690428 962411456 /nfs/dbraw/zinc/41/14/56/962411456.db2.gz WTIKUXGEBORZOR-UHFFFAOYSA-N 1 0 289.467 3.092 20 10 CGCDRO COc1ccc(N(C[C@@H]2CCC[NH2+]C2)C(C)C)cc1F ZINC001579224710 962608871 /nfs/dbraw/zinc/60/88/71/962608871.db2.gz SKUGUVFQWLPROK-CYBMUJFWSA-N 1 0 280.387 3.049 20 10 CGCDRO Nc1ccc(C[NH2+]CCOc2ccccc2Cl)cc1 ZINC001580445471 962724179 /nfs/dbraw/zinc/72/41/79/962724179.db2.gz FUTAHKIUGPNIRE-UHFFFAOYSA-N 1 0 276.767 3.091 20 10 CGCDRO CCCCOCCC[NH2+]Cc1ccc(N(C)C)cc1 ZINC000013718334 368663887 /nfs/dbraw/zinc/66/38/87/368663887.db2.gz LJCRGAVYZYCPOD-UHFFFAOYSA-N 1 0 264.413 3.049 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21)c1ccc(N(C)C)cc1 ZINC000124895047 370928776 /nfs/dbraw/zinc/92/87/76/370928776.db2.gz LTRNEOTWDMDEAY-BNEJOLLZSA-N 1 0 288.435 3.361 20 10 CGCDRO COCCCCC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000122661050 370906039 /nfs/dbraw/zinc/90/60/39/370906039.db2.gz HYIHJIYFORXICT-CQSZACIVSA-N 1 0 264.413 3.220 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H](C)c2ccccc2)c1 ZINC000020085352 368798142 /nfs/dbraw/zinc/79/81/42/368798142.db2.gz HLPZNJLGVUZACK-LBPRGKRZSA-N 1 0 257.333 3.252 20 10 CGCDRO Cc1cccc(C[NH2+]CCc2ccccc2F)c1O ZINC000083432601 370005412 /nfs/dbraw/zinc/00/54/12/370005412.db2.gz JDSNDJMKNHIIQW-UHFFFAOYSA-N 1 0 259.324 3.172 20 10 CGCDRO Cc1cccc([C@H](O)C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000090520242 370061620 /nfs/dbraw/zinc/06/16/20/370061620.db2.gz ILNYMBHBWDXANN-HNAYVOBHSA-N 1 0 298.430 3.445 20 10 CGCDRO COCC[C@@H](C)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000112018532 370409261 /nfs/dbraw/zinc/40/92/61/370409261.db2.gz NPBPOKVXOTWXPW-OAHLLOKOSA-N 1 0 276.424 3.192 20 10 CGCDRO C[C@@H]([NH2+][C@H](CO)CC1CCC1)c1cc(Cl)ccc1O ZINC000281274282 296159621 /nfs/dbraw/zinc/15/96/21/296159621.db2.gz XCPPHYNPTQOBRF-MFKMUULPSA-N 1 0 283.799 3.247 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 ZINC000134784213 371364157 /nfs/dbraw/zinc/36/41/57/371364157.db2.gz WWPUIRQYOUODPK-CLROSIBMSA-N 1 0 287.403 3.309 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H]2CCOC[C@H]2C)cc1 ZINC000286939388 371577892 /nfs/dbraw/zinc/57/78/92/371577892.db2.gz BBURBQYVWNXVCC-HLLBOEOZSA-N 1 0 290.451 3.466 20 10 CGCDRO C[C@@H]([NH2+]Cc1cccc(O)c1)c1ccc(N(C)C)cc1 ZINC000154408250 371845319 /nfs/dbraw/zinc/84/53/19/371845319.db2.gz BAYLIAXKWSQSNJ-CYBMUJFWSA-N 1 0 270.376 3.309 20 10 CGCDRO CC[C@H]([NH2+]CCCn1nc(C)cc1C)c1ccccc1O ZINC000154896582 371889604 /nfs/dbraw/zinc/88/96/04/371889604.db2.gz ABPODOXLXZPGLL-INIZCTEOSA-N 1 0 287.407 3.337 20 10 CGCDRO CS[C@H]1CC[C@H]1[NH2+]Cc1c(C)c2ccccc2n1C ZINC000425338404 372122525 /nfs/dbraw/zinc/12/25/25/372122525.db2.gz PGIYKIPRZQHPMX-CJNGLKHVSA-N 1 0 274.433 3.470 20 10 CGCDRO CO[C@H](C[NH2+][C@H](C)c1ccc(C)c(C)c1O)C1CC1 ZINC000293747615 372468930 /nfs/dbraw/zinc/46/89/30/372468930.db2.gz QAFGVDKKGRKIQU-IUODEOHRSA-N 1 0 263.381 3.085 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCCSC1)c1cc(F)ccc1O ZINC000168817256 372621779 /nfs/dbraw/zinc/62/17/79/372621779.db2.gz QEGGUCMKOAPCES-GXSJLCMTSA-N 1 0 255.358 3.078 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccco1 ZINC000172112418 372907850 /nfs/dbraw/zinc/90/78/50/372907850.db2.gz IVFQNMPMSBULJA-NSHDSACASA-N 1 0 262.328 3.336 20 10 CGCDRO CC(F)(F)CCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000296017722 372995322 /nfs/dbraw/zinc/99/53/22/372995322.db2.gz MCQPIDOGZJZZCO-UHFFFAOYSA-N 1 0 255.308 3.147 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+][C@H](C)CC(C)(C)O)c(O)c1 ZINC000296284073 373079603 /nfs/dbraw/zinc/07/96/03/373079603.db2.gz FDLQIILSROKSMH-CHWSQXEVSA-N 1 0 265.397 3.209 20 10 CGCDRO CC[C@H](COCC(F)(F)F)[NH2+][C@@H](C)c1ccccc1O ZINC000296631593 373201886 /nfs/dbraw/zinc/20/18/86/373201886.db2.gz BKELLYRUBCSCSK-WDEREUQCSA-N 1 0 291.313 3.400 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]CCCCNc1ccccn1)CC2 ZINC000297649316 373277485 /nfs/dbraw/zinc/27/74/85/373277485.db2.gz KDQUSLUQAKWLNH-HNNXBMFYSA-N 1 0 297.402 3.256 20 10 CGCDRO Cc1cccc([C@@H](O)C[NH2+][C@H]2CCc3cccc(O)c32)c1 ZINC000296883461 373249951 /nfs/dbraw/zinc/24/99/51/373249951.db2.gz OICWDLFBQYUVSX-RDJZCZTQSA-N 1 0 283.371 3.011 20 10 CGCDRO CC[C@H](CCO)C[NH2+][C@H](CC)c1ccc(N(C)C)cc1 ZINC000166797733 261392826 /nfs/dbraw/zinc/39/28/26/261392826.db2.gz DOPVEZJWGLVJRK-RHSMWYFYSA-N 1 0 278.440 3.202 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCCC[C@@H](N3CCCC3)C2)c1O ZINC000179957247 373946925 /nfs/dbraw/zinc/94/69/25/373946925.db2.gz ZURDLVGXZUZGPY-QGZVFWFLSA-N 1 0 288.435 3.151 20 10 CGCDRO COc1ccc(O)c(C[NH+]2CCC(OCC(C)C)CC2)c1 ZINC000179807402 373919722 /nfs/dbraw/zinc/91/97/22/373919722.db2.gz VYIIUTHJCZAPEC-UHFFFAOYSA-N 1 0 293.407 3.038 20 10 CGCDRO CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc(Cl)c2[O-])C1 ZINC000180524349 374016459 /nfs/dbraw/zinc/01/64/59/374016459.db2.gz VZWWBXLFGBWCDV-CYBMUJFWSA-N 1 0 296.842 3.209 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](CO)c2ccccc2)c(O)c1 ZINC000185652661 374706252 /nfs/dbraw/zinc/70/62/52/374706252.db2.gz GGTMKWCDXGMLQX-GOEBONIOSA-N 1 0 285.387 3.127 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](C)c2nccs2)c1 ZINC000186732425 374908313 /nfs/dbraw/zinc/90/83/13/374908313.db2.gz AAQOOEYZVJXRLL-QWRGUYRKSA-N 1 0 292.404 3.312 20 10 CGCDRO CC[N@@H+]1CC[C@@H]([NH2+]Cc2c(C)c3ccccc3n2C)[C@H](C)C1 ZINC000475200318 375131632 /nfs/dbraw/zinc/13/16/32/375131632.db2.gz ZXUNAAGWJWRSBP-RHSMWYFYSA-N 1 0 299.462 3.307 20 10 CGCDRO COc1cccc(C[NH2+]CCc2ccc(F)c(F)c2)c1O ZINC000190282422 375488788 /nfs/dbraw/zinc/48/87/88/375488788.db2.gz FVKHAWBZOKUJPF-UHFFFAOYSA-N 1 0 293.313 3.011 20 10 CGCDRO COCCCC[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000265414096 378001837 /nfs/dbraw/zinc/00/18/37/378001837.db2.gz VJAOMZHIZKLZPJ-UHFFFAOYSA-N 1 0 276.424 3.144 20 10 CGCDRO C[C@@H](O)CC[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000268874815 378137724 /nfs/dbraw/zinc/13/77/24/378137724.db2.gz JWKOREINILGEHB-CVEARBPZSA-N 1 0 290.451 3.489 20 10 CGCDRO C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC000269795160 378267437 /nfs/dbraw/zinc/26/74/37/378267437.db2.gz BFMBOQOFVDHSKY-HIFRSBDPSA-N 1 0 285.387 3.281 20 10 CGCDRO CC(C)(C)[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)CCO1 ZINC000270700468 378390336 /nfs/dbraw/zinc/39/03/36/378390336.db2.gz YADJOXJXCNMASN-DOTOQJQBSA-N 1 0 289.419 3.305 20 10 CGCDRO CCN(CC)c1ccc(C[NH+]2CCC(OC)CC2)cc1 ZINC000271025775 378432007 /nfs/dbraw/zinc/43/20/07/378432007.db2.gz DFYGKXMIYNBXQO-UHFFFAOYSA-N 1 0 276.424 3.144 20 10 CGCDRO COCC[N@H+](C)Cc1cc(-c2ccccc2)ccc1O ZINC000271046577 378438529 /nfs/dbraw/zinc/43/85/29/378438529.db2.gz RMQTUMHGLHEFEV-UHFFFAOYSA-N 1 0 271.360 3.137 20 10 CGCDRO COc1cccc(C[N@H+]2CC=C(C(F)(F)F)CC2)c1O ZINC000271182820 378474714 /nfs/dbraw/zinc/47/47/14/378474714.db2.gz ICJTVKANBHWLDA-UHFFFAOYSA-N 1 0 287.281 3.095 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](COC)C2)cc1 ZINC000271214507 378483781 /nfs/dbraw/zinc/48/37/81/378483781.db2.gz ZKGSJUKPDAAGIH-MRXNPFEDSA-N 1 0 276.424 3.001 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCO[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000271456202 378493555 /nfs/dbraw/zinc/49/35/55/378493555.db2.gz GRHIEGAUSJRYDO-QRTARXTBSA-N 1 0 276.424 3.361 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H](C)[C@H](O)c2cccc(F)c2)c1O ZINC000271798536 378505215 /nfs/dbraw/zinc/50/52/15/378505215.db2.gz INFYZSFCMXZOFD-SJCJKPOMSA-N 1 0 289.350 3.051 20 10 CGCDRO COCC[C@@H]([NH2+]Cc1cc(F)ccc1O)c1ccc(C)o1 ZINC000272649994 378683098 /nfs/dbraw/zinc/68/30/98/378683098.db2.gz PQSPGXGBXBGPRG-CQSZACIVSA-N 1 0 293.338 3.300 20 10 CGCDRO C[N@H+](CCc1ccncc1)Cc1c(O)cccc1Cl ZINC000273430552 378746462 /nfs/dbraw/zinc/74/64/62/378746462.db2.gz SXGHNBIJXRJMCP-UHFFFAOYSA-N 1 0 276.767 3.115 20 10 CGCDRO CCn1cc(C[NH2+][C@H](C)c2cc(Cl)ccc2O)cn1 ZINC000273451860 378748338 /nfs/dbraw/zinc/74/83/38/378748338.db2.gz GGGHNVICCKAJLL-SNVBAGLBSA-N 1 0 279.771 3.113 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCc2ccncc2C)c(O)c1 ZINC000273466547 378748545 /nfs/dbraw/zinc/74/85/45/378748545.db2.gz IZWMTQALZFMSBT-CQSZACIVSA-N 1 0 270.376 3.297 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCc3cn[nH]c32)c(O)c1 ZINC000273494506 378750391 /nfs/dbraw/zinc/75/03/91/378750391.db2.gz OVMGHKSGLCFHCS-SMDDNHRTSA-N 1 0 271.364 3.152 20 10 CGCDRO C[C@@H]([NH2+]CCCc1nccs1)c1cc(F)ccc1O ZINC000273525938 378751773 /nfs/dbraw/zinc/75/17/73/378751773.db2.gz VEAVZCIOXZEFIX-SNVBAGLBSA-N 1 0 280.368 3.271 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)COCC(F)(F)F)c1cc(F)ccc1O ZINC000273588469 378753688 /nfs/dbraw/zinc/75/36/88/378753688.db2.gz ONFRDPBACINBHS-DTWKUNHWSA-N 1 0 295.276 3.149 20 10 CGCDRO C[C@H]([NH2+][C@@H](C)[C@@H]1CCOC1)c1cc2c(cc1O)CCCC2 ZINC000273586033 378754410 /nfs/dbraw/zinc/75/44/10/378754410.db2.gz NTPLALULGZZVIE-HEHGZKQESA-N 1 0 289.419 3.347 20 10 CGCDRO C[C@@H]([NH2+][C@H](CCO)c1ccccc1)c1ccccc1O ZINC000272793830 378705008 /nfs/dbraw/zinc/70/50/08/378705008.db2.gz ADTZKFMRIABSCU-CZUORRHYSA-N 1 0 271.360 3.167 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCC[C@H](OCC3CC3)C2)c1O ZINC000373536275 379295927 /nfs/dbraw/zinc/29/59/27/379295927.db2.gz VJCBBLOLTIBEFQ-INIZCTEOSA-N 1 0 275.392 3.092 20 10 CGCDRO COc1ccc(O)c(CN2CCC[C@@H]2c2nccs2)c1 ZINC000375017387 379485657 /nfs/dbraw/zinc/48/56/57/379485657.db2.gz HGUDVVHULXXPHE-CYBMUJFWSA-N 1 0 290.388 3.194 20 10 CGCDRO CC(C)n1ncc2c1C[C@H]([NH2+][C@@H](C)c1ccccc1O)CC2 ZINC000375451026 379495276 /nfs/dbraw/zinc/49/52/76/379495276.db2.gz KHPFEHFOODDFGD-DZGCQCFKSA-N 1 0 299.418 3.378 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCc3nn(C)cc32)c1 ZINC000282571092 379947240 /nfs/dbraw/zinc/94/72/40/379947240.db2.gz YWUKXAPVSYVQAB-WFASDCNBSA-N 1 0 285.391 3.162 20 10 CGCDRO Cc1cc(C)cc([C@H](O)C[NH2+]Cc2cccc(C)c2O)c1 ZINC000283093066 380033408 /nfs/dbraw/zinc/03/34/08/380033408.db2.gz SJAZCAOPIAVQOM-QGZVFWFLSA-N 1 0 285.387 3.141 20 10 CGCDRO Cc1cccc(CCC[NH2+]Cc2cc(C)c(C)cc2O)n1 ZINC000285594850 380150728 /nfs/dbraw/zinc/15/07/28/380150728.db2.gz PGGAPYYCRQASQJ-UHFFFAOYSA-N 1 0 284.403 3.435 20 10 CGCDRO Cc1cccc(C[NH+]2CCC3(CCC(O)CC3)CC2)c1O ZINC000294679710 224492580 /nfs/dbraw/zinc/49/25/80/224492580.db2.gz BCTAXJHGSCAHJU-UHFFFAOYSA-N 1 0 289.419 3.218 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCCOC1)c1ccc2ccccc2c1O ZINC000109543534 392366560 /nfs/dbraw/zinc/36/65/60/392366560.db2.gz UHOPRBXSUYQVEZ-GXTWGEPZSA-N 1 0 271.360 3.375 20 10 CGCDRO C[C@H]([NH2+][C@H](CCO)C(C)(C)C)c1ccc(N(C)C)cc1 ZINC000158070655 392553345 /nfs/dbraw/zinc/55/33/45/392553345.db2.gz QENOOBCKENNQCQ-XJKSGUPXSA-N 1 0 278.440 3.200 20 10 CGCDRO Oc1ccc2ccccc2c1C[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000372176459 392591107 /nfs/dbraw/zinc/59/11/07/392591107.db2.gz SESAFGJLLRIVJM-CVEARBPZSA-N 1 0 297.398 3.404 20 10 CGCDRO CC[C@H]([NH2+]Cc1cccc(CO)c1)c1ccc(N(C)C)cc1 ZINC000177841018 392668952 /nfs/dbraw/zinc/66/89/52/392668952.db2.gz WOEIPOZHNWGSTI-IBGZPJMESA-N 1 0 298.430 3.486 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H]2CCCOC2)cc1 ZINC000178425686 392678815 /nfs/dbraw/zinc/67/88/15/392678815.db2.gz VWPHYYYXXXXWEU-CABCVRRESA-N 1 0 276.424 3.220 20 10 CGCDRO C[C@@H](c1ccncc1)[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000173498964 392627121 /nfs/dbraw/zinc/62/71/21/392627121.db2.gz AEVVOTFCZFLBLI-AWEZNQCLSA-N 1 0 269.392 3.341 20 10 CGCDRO C[C@H]1CO[C@H](c2ccccc2)C[N@@H+]1Cc1ccccc1O ZINC000179568493 392704118 /nfs/dbraw/zinc/70/41/18/392704118.db2.gz LNKBDYHLDPLBKZ-KSSFIOAISA-N 1 0 283.371 3.354 20 10 CGCDRO C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1Cc1ccccc1O ZINC000179568504 392704935 /nfs/dbraw/zinc/70/49/35/392704935.db2.gz LNKBDYHLDPLBKZ-RDTXWAMCSA-N 1 0 283.371 3.354 20 10 CGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@H]1CCCSC1 ZINC000194977980 392949001 /nfs/dbraw/zinc/94/90/01/392949001.db2.gz ONCVBAXHTKVFHM-HNNXBMFYSA-N 1 0 264.438 3.257 20 10 CGCDRO OCC[C@H]([NH2+][C@H]1CCc2cccc(O)c21)C1CCCCC1 ZINC000297131490 296548843 /nfs/dbraw/zinc/54/88/43/296548843.db2.gz YYTAYIFIQQBABC-HOTGVXAUSA-N 1 0 289.419 3.300 20 10 CGCDRO C[C@H](CCc1ccco1)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000020144460 171030505 /nfs/dbraw/zinc/03/05/05/171030505.db2.gz NJWRFXOBODPRGT-CQSZACIVSA-N 1 0 272.392 3.457 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C2CCN(C(C)C)CC2)c(O)c1 ZINC000020189453 171056087 /nfs/dbraw/zinc/05/60/87/171056087.db2.gz UFBUPOHMIFZPMV-AWEZNQCLSA-N 1 0 276.424 3.224 20 10 CGCDRO CC(C)C[C@@H](C[NH2+][C@@H](C)c1ccccc1O)N(C)C ZINC000020201334 171065703 /nfs/dbraw/zinc/06/57/03/171065703.db2.gz WLZLBTBDEKFFDD-KBPBESRZSA-N 1 0 264.413 3.019 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccccc1 ZINC000037362313 173151331 /nfs/dbraw/zinc/15/13/31/173151331.db2.gz JHKSSCWTPXVONB-CYBMUJFWSA-N 1 0 253.345 3.472 20 10 CGCDRO COc1cccc(C[N@@H+]2CCC3(CCCC3)C2)c1O ZINC000093336637 260275639 /nfs/dbraw/zinc/27/56/39/260275639.db2.gz AXTCXCCYHQNVQW-UHFFFAOYSA-N 1 0 261.365 3.167 20 10 CGCDRO C[C@@H](CCc1ccc(O)cc1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000126991324 260360281 /nfs/dbraw/zinc/36/02/81/260360281.db2.gz AEKYHBXHEPUVKR-AWEZNQCLSA-N 1 0 297.398 3.438 20 10 CGCDRO CC[C@H](C)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000154225953 261089352 /nfs/dbraw/zinc/08/93/52/261089352.db2.gz UQSWUMIXSSUBFW-HNNXBMFYSA-N 1 0 276.424 3.001 20 10 CGCDRO CC[C@H]([NH2+]CCCC(=O)N(CC)CC)c1ccccc1O ZINC000155167568 261098748 /nfs/dbraw/zinc/09/87/48/261098748.db2.gz UUZSWDUTZIUFPB-HNNXBMFYSA-N 1 0 292.423 3.082 20 10 CGCDRO CC[C@H]([NH2+]C[C@H](CCO)CC(C)C)c1ccccc1O ZINC000156148158 261115403 /nfs/dbraw/zinc/11/54/03/261115403.db2.gz VFYAUPIXHGNRSN-ZBFHGGJFSA-N 1 0 279.424 3.478 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](C)Cc1cc(C)n[nH]1)c1ccccc1O ZINC000156770880 261131233 /nfs/dbraw/zinc/13/12/33/261131233.db2.gz RRIJQTZFEOSKKT-XHDPSFHLSA-N 1 0 273.380 3.096 20 10 CGCDRO C[C@@H]([NH2+]CCCNc1ccccn1)c1ccc(N(C)C)cc1 ZINC000163803814 261329918 /nfs/dbraw/zinc/32/99/18/261329918.db2.gz KZSFVWMIRAMFNR-OAHLLOKOSA-N 1 0 298.434 3.300 20 10 CGCDRO CCC(C)(CC)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000182212210 261929525 /nfs/dbraw/zinc/92/95/25/261929525.db2.gz LACYJLCKAOQYRA-UHFFFAOYSA-N 1 0 267.369 3.078 20 10 CGCDRO CCN(CC)c1ccc(C[NH+]2CCC(C)(CO)CC2)cc1 ZINC000184070260 262007069 /nfs/dbraw/zinc/00/70/69/262007069.db2.gz ZZNRRPRFBYYPGE-UHFFFAOYSA-N 1 0 290.451 3.127 20 10 CGCDRO C[C@H]([NH2+]C[C@H](O)c1cccc(F)c1)c1cc(F)ccc1O ZINC000185163182 262044365 /nfs/dbraw/zinc/04/43/65/262044365.db2.gz VYLATNLNABNIGC-QFYYESIMSA-N 1 0 293.313 3.055 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21)c1ccccc1O ZINC000185213806 262046337 /nfs/dbraw/zinc/04/63/37/262046337.db2.gz LGJRFLPQKIYTMV-KCYZZUKISA-N 1 0 275.392 3.391 20 10 CGCDRO Cc1nccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000185346861 262051609 /nfs/dbraw/zinc/05/16/09/262051609.db2.gz MTEYCLOJJHGKKZ-KBPBESRZSA-N 1 0 287.407 3.192 20 10 CGCDRO CC[C@H](C)[C@@H](O)C[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000185438447 262054481 /nfs/dbraw/zinc/05/44/81/262054481.db2.gz SMLIOXVBRINAKD-BHDSKKPTSA-N 1 0 271.788 3.103 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@](C)(O)c2ccsc2)c1 ZINC000185528818 262058535 /nfs/dbraw/zinc/05/85/35/262058535.db2.gz WTCISFBWRBDPLR-LRDDRELGSA-N 1 0 291.416 3.320 20 10 CGCDRO CSC1(C[NH2+][C@@H](C)c2cc(C)ccc2O)CCOCC1 ZINC000186080914 262078533 /nfs/dbraw/zinc/07/85/33/262078533.db2.gz XGAMICFCLWXLDU-ZDUSSCGKSA-N 1 0 295.448 3.263 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H](CO)c1ccccc1)c1ccccc1O ZINC000186237090 262085341 /nfs/dbraw/zinc/08/53/41/262085341.db2.gz WYZRVMIXOFAXOQ-NVXWUHKLSA-N 1 0 285.387 3.209 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2O)cc1 ZINC000186796827 262110522 /nfs/dbraw/zinc/11/05/22/262110522.db2.gz RLPYRHXEGDZJNN-IAOVAPTHSA-N 1 0 276.424 3.097 20 10 CGCDRO COCCC(C)(C)C[NH2+][C@H](C)c1ccc(C)cc1O ZINC000183931708 262255882 /nfs/dbraw/zinc/25/58/82/262255882.db2.gz XIOQXCMBJXBAEB-CYBMUJFWSA-N 1 0 265.397 3.414 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)CC(C)(C)C)c(O)c1 ZINC000185482355 262304434 /nfs/dbraw/zinc/30/44/34/262304434.db2.gz RXLZYTHEAKQNQC-CHWSQXEVSA-N 1 0 265.397 3.148 20 10 CGCDRO C[C@H]([NH2+]CCOCc1ccccc1)c1cc(F)ccc1O ZINC000185633266 262306581 /nfs/dbraw/zinc/30/65/81/262306581.db2.gz KEJRBZLHEPGBNJ-ZDUSSCGKSA-N 1 0 289.350 3.399 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C2CCOCC2)c(O)c1 ZINC000185783148 262308622 /nfs/dbraw/zinc/30/86/22/262308622.db2.gz BJHPBIXJGQCYFL-STQMWFEESA-N 1 0 263.381 3.166 20 10 CGCDRO CC(C)O[C@@H]1C[C@@H]([NH2+]Cc2ccccc2O)C1(C)C ZINC000274286324 263022767 /nfs/dbraw/zinc/02/27/67/263022767.db2.gz LEZTVHSOPDTTEG-HUUCEWRRSA-N 1 0 263.381 3.074 20 10 CGCDRO CO[C@@H](C[NH2+][C@H]1CCc2cccc(O)c21)Cc1ccccc1 ZINC000296333359 263190119 /nfs/dbraw/zinc/19/01/19/263190119.db2.gz HJWTXGOBTXUFKE-SJORKVTESA-N 1 0 297.398 3.227 20 10 CGCDRO COc1ccc(N2CCC([NH2+]C[C@H](C)SC)CC2)cc1 ZINC000368584481 267189171 /nfs/dbraw/zinc/18/91/71/267189171.db2.gz UCYZDVVGGBPQGD-ZDUSSCGKSA-N 1 0 294.464 3.005 20 10 CGCDRO COCC[C@H]1CCCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000368672558 267196264 /nfs/dbraw/zinc/19/62/64/267196264.db2.gz GBHCMIWYMNKZCU-CYBMUJFWSA-N 1 0 281.371 3.170 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C[C@]2(C)CCO[C@H]2C2CC2)cc1 ZINC000373353846 267668173 /nfs/dbraw/zinc/66/81/73/267668173.db2.gz LLWGGIJIVYGVTJ-ROUUACIJSA-N 1 0 288.435 3.047 20 10 CGCDRO CC[C@H]([NH2+][C@H](COC)C1CC1)c1ccc(C)cc1O ZINC000280175601 288085248 /nfs/dbraw/zinc/08/52/48/288085248.db2.gz RHXXCMIDKXVGJN-LSDHHAIUSA-N 1 0 263.381 3.166 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)CN(C)C(C)C)c1 ZINC000290272819 301654730 /nfs/dbraw/zinc/65/47/30/301654730.db2.gz WHNGQDVQTRCTKI-KGLIPLIRSA-N 1 0 264.413 3.080 20 10 CGCDRO COC(C)(C)C[C@@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000183533056 327820549 /nfs/dbraw/zinc/82/05/49/327820549.db2.gz PFMFYDKBIQWULX-NEPJUHHUSA-N 1 0 251.370 3.246 20 10 CGCDRO Oc1cccc(Cl)c1CNC1CC[NH+](CC2CC2)CC1 ZINC000264953372 328163364 /nfs/dbraw/zinc/16/33/64/328163364.db2.gz LNPHDVVPLBOCFM-UHFFFAOYSA-N 1 0 294.826 3.010 20 10 CGCDRO Cc1cccc(C[NH2+][C@H]2CCc3cccc(O)c32)c1 ZINC000296072399 327086813 /nfs/dbraw/zinc/08/68/13/327086813.db2.gz SEBJGEIGNPLZHP-HNNXBMFYSA-N 1 0 253.345 3.478 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](Cc3ccncc3)C2)cc1C ZINC000368060419 327233647 /nfs/dbraw/zinc/23/36/47/327233647.db2.gz MLORYQIGWYSSIW-QGZVFWFLSA-N 1 0 296.414 3.469 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1ccc(C)cc1O ZINC000373564128 328981895 /nfs/dbraw/zinc/98/18/95/328981895.db2.gz RKDMNKHGUSECOH-UKRRQHHQSA-N 1 0 285.391 3.022 20 10 CGCDRO CCc1cnc(C[NH2+]Cc2cccc(C)c2O)s1 ZINC000224888151 329245010 /nfs/dbraw/zinc/24/50/10/329245010.db2.gz QSTHWANQAJCTRH-UHFFFAOYSA-N 1 0 262.378 3.009 20 10 CGCDRO Cc1cccc2c1OCC[C@H]2[NH2+]Cc1ccccc1O ZINC000188875972 329374087 /nfs/dbraw/zinc/37/40/87/329374087.db2.gz ONDXKSAIPUTDRZ-OAHLLOKOSA-N 1 0 269.344 3.314 20 10 CGCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]CC12CC(C1)CO2 ZINC000527790716 330283511 /nfs/dbraw/zinc/28/35/11/330283511.db2.gz TTZRFKBVWCABRE-UHFFFAOYSA-N 1 0 295.382 3.328 20 10 CGCDRO COCCC1CC[NH+]([C@@H](C)c2cc(F)ccc2O)CC1 ZINC000527932948 330297703 /nfs/dbraw/zinc/29/77/03/330297703.db2.gz GDTGEXJNIQVYBD-LBPRGKRZSA-N 1 0 281.371 3.341 20 10 CGCDRO C[C@@H]([NH2+]CC12CC(C1)CO2)c1ccc2ccccc2c1O ZINC000527985020 330298612 /nfs/dbraw/zinc/29/86/12/330298612.db2.gz WZNRDFKEWPXHEU-WHENESEISA-N 1 0 283.371 3.375 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc3cn(C)nc3c2)c1 ZINC000527964780 330301114 /nfs/dbraw/zinc/30/11/14/330301114.db2.gz ROSBHFQHJIVFRL-CYBMUJFWSA-N 1 0 295.386 3.438 20 10 CGCDRO Cc1cccc(C[NH2+]C[C@]2(C)COc3ccccc3O2)c1O ZINC000529637375 333502341 /nfs/dbraw/zinc/50/23/41/333502341.db2.gz RDQDWOGETVTTTI-GOSISDBHSA-N 1 0 299.370 3.020 20 10 CGCDRO C[C@H]([NH2+]CC1CC1)c1ccc(Br)cc1O ZINC000134912302 334108131 /nfs/dbraw/zinc/10/81/31/334108131.db2.gz WWDRUYRBNQUYQZ-QMMMGPOBSA-N 1 0 270.170 3.215 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H](C)c2ncc(C)s2)c1 ZINC000135783016 334138804 /nfs/dbraw/zinc/13/88/04/334138804.db2.gz VWVIKHQEKXMQSJ-JTQLQIEISA-N 1 0 278.377 3.017 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+][C@@]23C[C@@H]2COC3(C)C)c1O ZINC000529645674 500958174 /nfs/dbraw/zinc/95/81/74/500958174.db2.gz UKTDCBJAONXLFE-ABAIWWIYSA-N 1 0 281.783 3.011 20 10 CGCDRO CC(C)C[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000037260708 519317003 /nfs/dbraw/zinc/31/70/03/519317003.db2.gz CBRYDSTZSFBJSE-HNNXBMFYSA-N 1 0 276.424 3.047 20 10 CGCDRO CC(C)[C@H](O)C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000265279110 519823620 /nfs/dbraw/zinc/82/36/20/519823620.db2.gz WOZVNRFHFLLDEN-GOSISDBHSA-N 1 0 285.387 3.166 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2cc(C)no2)cc1 ZINC000125532138 520287129 /nfs/dbraw/zinc/28/71/29/520287129.db2.gz RBILNQVLDJWKJW-ZDUSSCGKSA-N 1 0 273.380 3.290 20 10 CGCDRO CCCOc1ccc(C[NH2+]Cc2occc2C)c(O)c1 ZINC000291677761 520369884 /nfs/dbraw/zinc/36/98/84/520369884.db2.gz HINAGDRTVZLNHN-UHFFFAOYSA-N 1 0 275.348 3.372 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CCCCCCO)cc1 ZINC000224953891 520905687 /nfs/dbraw/zinc/90/56/87/520905687.db2.gz NHQFKBNFVVDZEC-UHFFFAOYSA-N 1 0 278.440 3.175 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CCC(F)(F)[C@@H](C)C2)c1O ZINC000291562955 521336297 /nfs/dbraw/zinc/33/62/97/521336297.db2.gz NFUPCBSZVOSIJF-NSHDSACASA-N 1 0 285.334 3.268 20 10 CGCDRO CCOC1(C[NH2+]Cc2cc(C)ccc2O)CCCC1 ZINC000293103319 521636838 /nfs/dbraw/zinc/63/68/38/521636838.db2.gz XZDABTGBEKSATD-UHFFFAOYSA-N 1 0 263.381 3.140 20 10 CGCDRO CCC(O)(CC)CC[NH2+]Cc1cc(C)c(C)cc1O ZINC000276227242 521651527 /nfs/dbraw/zinc/65/15/27/521651527.db2.gz MYHMUNLMZSIGGK-UHFFFAOYSA-N 1 0 265.397 3.040 20 10 CGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@H]1CCSC1 ZINC000278523585 521690024 /nfs/dbraw/zinc/69/00/24/521690024.db2.gz YNBAHLFBXKXXMX-CYBMUJFWSA-N 1 0 265.422 3.357 20 10 CGCDRO CCCN(Cc1nc(C)cs1)c1ccc(C[NH3+])cc1 ZINC000194978205 521693518 /nfs/dbraw/zinc/69/35/18/521693518.db2.gz OSRYMLKYMCONKB-UHFFFAOYSA-N 1 0 275.421 3.327 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)[C@H](C)OC)c1ccc(C)cc1O ZINC000290112061 522735971 /nfs/dbraw/zinc/73/59/71/522735971.db2.gz ISSCKJQBEZELRR-DYEKYZERSA-N 1 0 251.370 3.165 20 10 CGCDRO CN1CCC([NH2+]Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000263900937 523777334 /nfs/dbraw/zinc/77/73/34/523777334.db2.gz WTSYWOZPMQETHI-UHFFFAOYSA-N 1 0 296.414 3.243 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2nnc(C(C)C)[nH]2)c(O)c1 ZINC000296495813 524334314 /nfs/dbraw/zinc/33/43/14/524334314.db2.gz OVHMVYCTIOFQNJ-LBPRGKRZSA-N 1 0 288.395 3.101 20 10 CGCDRO COc1ccc(O)c(C[N@H+](C)C2CCC(F)(F)CC2)c1 ZINC000290229571 524733058 /nfs/dbraw/zinc/73/30/58/524733058.db2.gz SRHXHRDJQWQVHE-UHFFFAOYSA-N 1 0 285.334 3.411 20 10 CGCDRO C[C@@H](C[NH2+]Cc1cc(-c2ccccc2)ccc1O)N(C)C ZINC000264406139 524741764 /nfs/dbraw/zinc/74/17/64/524741764.db2.gz XUTMPISNPBJNNW-AWEZNQCLSA-N 1 0 284.403 3.099 20 10 CGCDRO CSC1(C[N@H+](C)Cc2ccccc2O)CCC1 ZINC000290386188 525306584 /nfs/dbraw/zinc/30/65/84/525306584.db2.gz JAEGUIAOROVMMJ-UHFFFAOYSA-N 1 0 251.395 3.110 20 10 CGCDRO Cc1ccc(O)c(C[N@H+](Cc2ccccn2)C2CC2)c1 ZINC000290320015 525338055 /nfs/dbraw/zinc/33/80/55/525338055.db2.gz CVRYZTGPWHZWHK-UHFFFAOYSA-N 1 0 268.360 3.260 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H](C)Cc2cccs2)c1 ZINC000071407530 525351500 /nfs/dbraw/zinc/35/15/00/525351500.db2.gz UEBFUAKEOVMSHY-GFCCVEGCSA-N 1 0 261.390 3.483 20 10 CGCDRO Cc1ccc(O)c(CNc2cccc(C[NH+](C)C)c2)c1 ZINC000071407462 525354412 /nfs/dbraw/zinc/35/44/12/525354412.db2.gz FTBLPFYXSNOSRW-UHFFFAOYSA-N 1 0 270.376 3.374 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CC2([C@H](O)C(C)C)CC2)c1 ZINC000273538394 525362990 /nfs/dbraw/zinc/36/29/90/525362990.db2.gz XWHGGBVTNNOQIO-XJKSGUPXSA-N 1 0 277.408 3.148 20 10 CGCDRO C[C@@H]([NH2+]CC1(CCO)CCCC1)c1ccc(N(C)C)cc1 ZINC000269000795 525421846 /nfs/dbraw/zinc/42/18/46/525421846.db2.gz UTIVSDKHQSBZRW-OAHLLOKOSA-N 1 0 290.451 3.346 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1CCSC1)c1cc(Cl)ccc1O ZINC000280189802 525502776 /nfs/dbraw/zinc/50/27/76/525502776.db2.gz UVMZRKFGJNJJRH-NXEZZACHSA-N 1 0 271.813 3.449 20 10 CGCDRO C[C@H]([NH2+][C@@H](C)[C@@H](O)c1ccccc1)c1ccccc1O ZINC000290238613 525522548 /nfs/dbraw/zinc/52/25/48/525522548.db2.gz JAARDHQLKCVLIB-GDZNZVCISA-N 1 0 271.360 3.165 20 10 CGCDRO C[C@H]([NH2+][C@H]1COc2ccc(F)cc2C1)c1ccccc1O ZINC000290375465 525633709 /nfs/dbraw/zinc/63/37/09/525633709.db2.gz RLWZCFBVEDUXBR-SMDDNHRTSA-N 1 0 287.334 3.186 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CC[S@@](=O)C(C)(C)C)c(O)c1C ZINC000273607894 525727152 /nfs/dbraw/zinc/72/71/52/525727152.db2.gz USGMCYKEDMABKY-ZUOKHONESA-N 1 0 297.464 3.207 20 10 CGCDRO COc1cccc(C[N@@H+]2CCC=C(c3ccco3)C2)c1O ZINC000289366940 525935040 /nfs/dbraw/zinc/93/50/40/525935040.db2.gz KXYKOKQZUMDMDI-UHFFFAOYSA-N 1 0 285.343 3.283 20 10 CGCDRO Cc1ccc([C@H](O)C[NH2+]Cc2cc(C)c(C)cc2O)cc1 ZINC000278104249 525975926 /nfs/dbraw/zinc/97/59/26/525975926.db2.gz ALLIWDMUZZUJSB-GOSISDBHSA-N 1 0 285.387 3.141 20 10 CGCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC000276749392 526338465 /nfs/dbraw/zinc/33/84/65/526338465.db2.gz SSBWGKWDECJUHV-KDOFPFPSSA-N 1 0 297.398 3.310 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000278403510 526371963 /nfs/dbraw/zinc/37/19/63/526371963.db2.gz OQTCZWVZGHFCCU-JTQLQIEISA-N 1 0 259.271 3.167 20 10 CGCDRO CC[C@H](CCO)C[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000294772218 529327534 /nfs/dbraw/zinc/32/75/34/529327534.db2.gz NFVNTTKVLPLYFF-UONOGXRCSA-N 1 0 265.397 3.068 20 10 CGCDRO C[C@@H](COc1ccccc1)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000731449918 572412073 /nfs/dbraw/zinc/41/20/73/572412073.db2.gz FMLMSXDOEBBQDM-HNNXBMFYSA-N 1 0 284.403 3.310 20 10 CGCDRO COc1cccc(C[NH2+]Cc2cnc3ccccc3c2)c1O ZINC000725849055 572441350 /nfs/dbraw/zinc/44/13/50/572441350.db2.gz FTDGBHGKOVBEIS-UHFFFAOYSA-N 1 0 294.354 3.239 20 10 CGCDRO C[C@@H](Cc1cccc(O)c1)[NH2+]Cc1c(O)cccc1Cl ZINC000733326828 572556507 /nfs/dbraw/zinc/55/65/07/572556507.db2.gz DXBRMPXJCNQXDG-NSHDSACASA-N 1 0 291.778 3.472 20 10 CGCDRO Oc1cc2c(cc1C[NH2+][C@@H]1CC[C@H]3CCC[C@H]3C1)OCO2 ZINC000742379635 572571149 /nfs/dbraw/zinc/57/11/49/572571149.db2.gz YZGOILVDGHHWER-MBNYWOFBSA-N 1 0 289.375 3.179 20 10 CGCDRO COc1cccc(C[NH2+][C@@H]2CC[C@@H]3CCC[C@H]3C2)c1O ZINC000742379353 572571210 /nfs/dbraw/zinc/57/12/10/572571210.db2.gz WGTJZIOUVCKTOD-KCQAQPDRSA-N 1 0 275.392 3.459 20 10 CGCDRO COC(=O)CCC[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000734852006 572688137 /nfs/dbraw/zinc/68/81/37/572688137.db2.gz IBTFTSQDXZCEMZ-UHFFFAOYSA-N 1 0 291.391 3.090 20 10 CGCDRO CO[C@@]1(C)C[C@H]([NH2+]Cc2c(O)cccc2Cl)C1(C)C ZINC000744448317 572753605 /nfs/dbraw/zinc/75/36/05/572753605.db2.gz IBYQQUHVMDVKPH-ZFWWWQNUSA-N 1 0 283.799 3.339 20 10 CGCDRO CC[C@H]([NH2+]CCc1ccccn1)c1ccccc1O ZINC000019916780 634377335 /nfs/dbraw/zinc/37/73/35/634377335.db2.gz PHQRNXBENKUGQA-HNNXBMFYSA-N 1 0 256.349 3.071 20 10 CGCDRO COc1cc(C[NH+](CC2CC2)CC2CC2)c(O)cc1C ZINC000160206136 617616722 /nfs/dbraw/zinc/61/67/22/617616722.db2.gz ZCSPSWPMKBZRSD-UHFFFAOYSA-N 1 0 275.392 3.331 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H](CO)C(C)C)c1cc(Cl)ccc1O ZINC000806170241 617802096 /nfs/dbraw/zinc/80/20/96/617802096.db2.gz XWVQCKAGGDOISB-SMDDNHRTSA-N 1 0 285.815 3.351 20 10 CGCDRO COc1cc(C[N@H+](C)CCc2cccs2)c(O)cc1C ZINC000160310024 617937805 /nfs/dbraw/zinc/93/78/05/617937805.db2.gz OFLNSFGLJOJYNP-UHFFFAOYSA-N 1 0 291.416 3.445 20 10 CGCDRO COc1ccc(C[N@@H+]2CCC[C@@H]2C(C)(C)C)c(O)c1OC ZINC000891914228 618382044 /nfs/dbraw/zinc/38/20/44/618382044.db2.gz VKMSBZBBXLOHBO-CQSZACIVSA-N 1 0 293.407 3.420 20 10 CGCDRO CCOC[C@H](C)[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC000044690196 618615426 /nfs/dbraw/zinc/61/54/26/618615426.db2.gz PFEKPCYRZINIHF-AWEZNQCLSA-N 1 0 264.413 3.047 20 10 CGCDRO C[C@H]([NH2+]CCN1CCCC[C@H]1C)c1cc(F)ccc1O ZINC000185028203 625289975 /nfs/dbraw/zinc/28/99/75/625289975.db2.gz PBKXEQLHDNDKGO-OLZOCXBDSA-N 1 0 280.387 3.056 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000179401371 618781666 /nfs/dbraw/zinc/78/16/66/618781666.db2.gz YSAOEBCQEOFMNB-HNNXBMFYSA-N 1 0 276.424 3.144 20 10 CGCDRO Cc1ncsc1C[N@@H+](C)Cc1cc(Cl)ccc1O ZINC000179427212 618784321 /nfs/dbraw/zinc/78/43/21/618784321.db2.gz RGQQTRWZCLEEDW-UHFFFAOYSA-N 1 0 282.796 3.443 20 10 CGCDRO CC[C@@H]([NH2+]C[C@](C)(O)C(C)C)c1ccc(N(C)C)cc1 ZINC000178118215 618857572 /nfs/dbraw/zinc/85/75/72/618857572.db2.gz JWVCYCSSQHODNR-SJORKVTESA-N 1 0 278.440 3.200 20 10 CGCDRO CC1(C)CCCC[C@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000094324051 618899105 /nfs/dbraw/zinc/89/91/05/618899105.db2.gz GZRCLHNAXLLEKF-OAHLLOKOSA-N 1 0 277.364 3.179 20 10 CGCDRO CCC[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000167344880 618908649 /nfs/dbraw/zinc/90/86/49/618908649.db2.gz ZJLWIDDRDGCYRY-UHFFFAOYSA-N 1 0 260.303 3.271 20 10 CGCDRO CCC(CC)C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000168761731 618913751 /nfs/dbraw/zinc/91/37/51/618913751.db2.gz XMEUZCVENXNIFB-LLVKDONJSA-N 1 0 251.370 3.488 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]CC(C1CC1)C1CC1)CC2 ZINC000312101365 619024156 /nfs/dbraw/zinc/02/41/56/619024156.db2.gz UUCXGXKGYRWREA-HNNXBMFYSA-N 1 0 257.377 3.405 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(C(C)(C)O)cc1)c1ccccc1O ZINC000186608168 619071773 /nfs/dbraw/zinc/07/17/73/619071773.db2.gz RTZSFPMIFBNTSZ-ZDUSSCGKSA-N 1 0 285.387 3.470 20 10 CGCDRO CCOC1(C[NH2+]Cc2ccc(OC)c(C)c2)CCCC1 ZINC000312521092 619087308 /nfs/dbraw/zinc/08/73/08/619087308.db2.gz HMMFAGQOCZPWQX-UHFFFAOYSA-N 1 0 277.408 3.443 20 10 CGCDRO CS[C@@H](C)C[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840905571 619099387 /nfs/dbraw/zinc/09/93/87/619099387.db2.gz AFLYNIDLHUCETO-VIFPVBQESA-N 1 0 259.802 3.195 20 10 CGCDRO CCOc1ccc(O)c(C[NH+]2CC(C)(C)OC(C)(C)C2)c1 ZINC000191194885 619107546 /nfs/dbraw/zinc/10/75/46/619107546.db2.gz MFRITNADNATDES-UHFFFAOYSA-N 1 0 293.407 3.180 20 10 CGCDRO CC[C@@H](C)[C@](C)(O)C[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000776174358 619114947 /nfs/dbraw/zinc/11/49/47/619114947.db2.gz MWLHBYQDDVVSSQ-IAQYHMDHSA-N 1 0 285.815 3.241 20 10 CGCDRO CCOc1ccc(O)c(C[N@H+](C)C(C2CC2)C2CC2)c1 ZINC000092704112 619120531 /nfs/dbraw/zinc/12/05/31/619120531.db2.gz JILUPSJNYMIARI-UHFFFAOYSA-N 1 0 275.392 3.411 20 10 CGCDRO CC(C)[N@@H+](Cc1cc2c(cc1O)OCO2)CC1CCC1 ZINC000195078991 619146441 /nfs/dbraw/zinc/14/64/41/619146441.db2.gz SNCKLPUGELORNI-UHFFFAOYSA-N 1 0 277.364 3.131 20 10 CGCDRO Cc1noc(C)c1[C@@H](C)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000313123641 619163563 /nfs/dbraw/zinc/16/35/63/619163563.db2.gz CPPNQCSHIFWHHF-RNCFNFMXSA-N 1 0 272.348 3.335 20 10 CGCDRO C[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000093498549 619200979 /nfs/dbraw/zinc/20/09/79/619200979.db2.gz DKZKOQGHIPRJDK-CVEARBPZSA-N 1 0 288.435 3.144 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1Cc2ccccc2O1)c1ccc(N(C)C)cc1 ZINC000314508415 619229977 /nfs/dbraw/zinc/22/99/77/619229977.db2.gz VPBRBVZZNQOMLQ-KSSFIOAISA-N 1 0 296.414 3.407 20 10 CGCDRO COC[C@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2C)CC1 ZINC000840953688 619257259 /nfs/dbraw/zinc/25/72/59/619257259.db2.gz WCONZXYGGXQTQS-INIZCTEOSA-N 1 0 290.451 3.310 20 10 CGCDRO CC(C)N(C)CC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000054111080 619264415 /nfs/dbraw/zinc/26/44/15/619264415.db2.gz LCEBUWLCHKTRBT-UHFFFAOYSA-N 1 0 289.467 3.107 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2C[C@H](O)C[C@@H]2c2ccccc2)cc1C ZINC000840957064 619270264 /nfs/dbraw/zinc/27/02/64/619270264.db2.gz IETOPSYYRYGCKG-QZTJIDSGSA-N 1 0 297.398 3.317 20 10 CGCDRO CC[N@H+](Cc1cc2c(cc1O)OCO2)C1CCCCC1 ZINC000058590703 619278657 /nfs/dbraw/zinc/27/86/57/619278657.db2.gz QJLCSPWQPBMMCQ-UHFFFAOYSA-N 1 0 277.364 3.276 20 10 CGCDRO C[C@@H]1C[C@@H](C[NH2+]Cc2ccc3ccccc3c2O)[C@@H](C)O1 ZINC000840962740 619282232 /nfs/dbraw/zinc/28/22/32/619282232.db2.gz FABRLUXTQBMDIA-IOASZLSFSA-N 1 0 285.387 3.449 20 10 CGCDRO Cc1cccc(C[N@@H+]2CC3(CCOCC3)[C@@H]2C(C)C)c1O ZINC000840970357 619296171 /nfs/dbraw/zinc/29/61/71/619296171.db2.gz PYHYJZLMICGWDD-KRWDZBQOSA-N 1 0 289.419 3.338 20 10 CGCDRO CCCCO[C@H]1C[C@@H]([NH2+]Cc2ccccc2O)C1(C)C ZINC000236864362 619306822 /nfs/dbraw/zinc/30/68/22/619306822.db2.gz XZQPNOPAPVMUNN-CVEARBPZSA-N 1 0 277.408 3.466 20 10 CGCDRO CC[N@H+](Cc1ocnc1C)Cc1ccc(N(C)C)cc1 ZINC000893870466 619325728 /nfs/dbraw/zinc/32/57/28/619325728.db2.gz AEFQSEOSSUDTFN-UHFFFAOYSA-N 1 0 273.380 3.071 20 10 CGCDRO COc1cc(C)cc(C[NH2+]CCc2ccccc2F)c1O ZINC000894142057 619391470 /nfs/dbraw/zinc/39/14/70/619391470.db2.gz JZQZGHGNZLEHRM-UHFFFAOYSA-N 1 0 289.350 3.181 20 10 CGCDRO COc1cc(C)cc(C[NH2+]CCc2ccsc2)c1O ZINC000894164125 619397685 /nfs/dbraw/zinc/39/76/85/619397685.db2.gz CZCHTMQYXGAVBN-UHFFFAOYSA-N 1 0 277.389 3.103 20 10 CGCDRO COCCCC1(C[NH2+]Cc2ccc(OC)cc2O)CCC1 ZINC000894185902 619407985 /nfs/dbraw/zinc/40/79/85/619407985.db2.gz ULFZGECSMMRLAV-UHFFFAOYSA-N 1 0 293.407 3.087 20 10 CGCDRO COc1ccc(C[NH2+]CCC(C)(C)C2CC2)c(O)c1OC ZINC000894645750 619594287 /nfs/dbraw/zinc/59/42/87/619594287.db2.gz PRPXVEKHAAGVAW-UHFFFAOYSA-N 1 0 293.407 3.325 20 10 CGCDRO COCC(C)(C)CCC[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894781088 619634124 /nfs/dbraw/zinc/63/41/24/619634124.db2.gz NRYKFCZSZKXXDG-UHFFFAOYSA-N 1 0 295.423 3.252 20 10 CGCDRO COc1ccc(C[NH2+][C@]2(C)CCCC[C@@H]2C)c(O)c1OC ZINC000894811410 619641624 /nfs/dbraw/zinc/64/16/24/619641624.db2.gz UPKBNIALOBMHLI-YVEFUNNKSA-N 1 0 293.407 3.468 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@H+](C)CCC2CCOCC2)c1 ZINC000164486508 619704435 /nfs/dbraw/zinc/70/44/35/619704435.db2.gz DPKZKBYVIFPICI-UHFFFAOYSA-N 1 0 277.408 3.258 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2C[C@H](C)OC(C)(C)C2)cc1C ZINC000049176433 619707086 /nfs/dbraw/zinc/70/70/86/619707086.db2.gz VFVMFMKGFYZLDM-ZDUSSCGKSA-N 1 0 263.381 3.008 20 10 CGCDRO C[C@H]([NH2+]C1CC2(C1)COC(C)(C)C2)c1ccccc1O ZINC000895129394 619744768 /nfs/dbraw/zinc/74/47/68/619744768.db2.gz BSJHAYHSAGDVEV-POZPTJLLSA-N 1 0 275.392 3.391 20 10 CGCDRO CC[C@@H]([NH2+]C1CC2(C1)CO[C@@H](C)C2)c1ccccc1O ZINC000895133048 619746283 /nfs/dbraw/zinc/74/62/83/619746283.db2.gz FNJVPUVLKXKRAW-KKVZTGDRSA-N 1 0 275.392 3.391 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@@]23C[C@@H]2CCCC3)c1O ZINC000895439478 619829321 /nfs/dbraw/zinc/82/93/21/619829321.db2.gz BWSZYSPMUGRMMY-BBRMVZONSA-N 1 0 261.365 3.132 20 10 CGCDRO COc1cc(C)cc(C[NH2+]CC[C@H]2CCCS2)c1O ZINC000895447440 619830988 /nfs/dbraw/zinc/83/09/88/619830988.db2.gz LYVCVBHBYWFEMQ-CYBMUJFWSA-N 1 0 281.421 3.085 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CCc2cccnc21)c1ccccc1O ZINC000895460155 619833395 /nfs/dbraw/zinc/83/33/95/619833395.db2.gz LNECUVVEGVNJCB-RISCZKNCSA-N 1 0 254.333 3.125 20 10 CGCDRO COC[C@H]1C[C@@H]([NH2+]Cc2ccc3ccccc3c2O)C1 ZINC000895622268 619860563 /nfs/dbraw/zinc/86/05/63/619860563.db2.gz CFKFDJIVILLJBB-JNSHFYNHSA-N 1 0 271.360 3.060 20 10 CGCDRO Cc1ccc(CN[C@@H]2c3ccccc3OC[C@H]2F)c(O)c1 ZINC000896423734 620006918 /nfs/dbraw/zinc/00/69/18/620006918.db2.gz KWDAPWQXDLCSGX-RHSMWYFYSA-N 1 0 287.334 3.262 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCS[C@H](C(F)(F)F)C2)c1 ZINC000896456008 620011819 /nfs/dbraw/zinc/01/18/19/620011819.db2.gz NGWPBIQUQIBVEL-LBPRGKRZSA-N 1 0 291.338 3.180 20 10 CGCDRO C[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000896585737 620031706 /nfs/dbraw/zinc/03/17/06/620031706.db2.gz WZFFEUVRCJJCMX-INIZCTEOSA-N 1 0 288.435 3.288 20 10 CGCDRO COc1cc(O)c(C[NH2+]C(C)(C)/C=C/Cl)cc1OC ZINC000896748473 620055398 /nfs/dbraw/zinc/05/53/98/620055398.db2.gz VOMKLRDOIYJKIV-AATRIKPKSA-N 1 0 285.771 3.030 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1C[C@@H]2C[C@H]1CN2c1ccccc1 ZINC000896791287 620063919 /nfs/dbraw/zinc/06/39/19/620063919.db2.gz ANOHDONQQLIEOL-IRXDYDNUSA-N 1 0 294.398 3.164 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H](C2CC2)[C@H]2CCCOC2)c1O ZINC000897081352 620135511 /nfs/dbraw/zinc/13/55/11/620135511.db2.gz NSQKFMQTGKCTNC-IRXDYDNUSA-N 1 0 289.419 3.249 20 10 CGCDRO CCCN(CC)CC[NH2+][C@H](C)c1ccc(C)cc1O ZINC000185631848 625399832 /nfs/dbraw/zinc/39/98/32/625399832.db2.gz PLFRQAMMJACLFJ-CQSZACIVSA-N 1 0 264.413 3.083 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H](C3CCOCC3)C2)c1 ZINC000897269363 620175429 /nfs/dbraw/zinc/17/54/29/620175429.db2.gz CYWNDMLXPQCMRV-INIZCTEOSA-N 1 0 289.419 3.339 20 10 CGCDRO COC(=O)CCC1([NH2+]Cc2ccccc2O)CCCCC1 ZINC000897338702 620212440 /nfs/dbraw/zinc/21/24/40/620212440.db2.gz XDZOWKIKPQXQCG-UHFFFAOYSA-N 1 0 291.391 3.138 20 10 CGCDRO COc1cccc(C[NH2+][C@@H]2CCC[C@H](C)CC2)c1O ZINC000191112982 620214101 /nfs/dbraw/zinc/21/41/01/620214101.db2.gz DVEPEKVWUQHAOT-GXTWGEPZSA-N 1 0 263.381 3.459 20 10 CGCDRO C[C@@H]([NH2+]Cc1cc(Cl)ccc1O)[C@H](O)c1ccccc1 ZINC000206876951 620230186 /nfs/dbraw/zinc/23/01/86/620230186.db2.gz OUGKLNCWWAUBJV-BZNIZROVSA-N 1 0 291.778 3.257 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C1([C@@H]2CCCCO2)CC1 ZINC000897387391 620280739 /nfs/dbraw/zinc/28/07/39/620280739.db2.gz TXQSZSLVSKHRHE-KRWDZBQOSA-N 1 0 288.435 3.252 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]CC(C)(C)C1CCOCC1 ZINC000897445479 620338036 /nfs/dbraw/zinc/33/80/36/620338036.db2.gz IKJWNHPZSLTBFP-UHFFFAOYSA-N 1 0 277.408 3.243 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(Cl)cc1[O-] ZINC000841745095 620351712 /nfs/dbraw/zinc/35/17/12/620351712.db2.gz NFKUIIUOAGJEEF-NWDGAFQWSA-N 1 0 294.826 3.181 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H](CC(C)C)OC)c1ccccc1O ZINC000841755890 620400062 /nfs/dbraw/zinc/40/00/62/620400062.db2.gz NFPMUSCUZPRPNA-DZGCQCFKSA-N 1 0 265.397 3.494 20 10 CGCDRO CO[C@@H](C[NH2+][C@H]1CCc2cccc(O)c21)CC(C)C ZINC000841756517 620402557 /nfs/dbraw/zinc/40/25/57/620402557.db2.gz WSAUOIVAXROELW-KGLIPLIRSA-N 1 0 263.381 3.030 20 10 CGCDRO Cc1ccc(C[NH2+][C@H]2CCSC(C)(C)C2)c(O)c1 ZINC000897790337 620432014 /nfs/dbraw/zinc/43/20/14/620432014.db2.gz ULRCNJWOKOCESV-ZDUSSCGKSA-N 1 0 265.422 3.464 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](Cc3nccs3)C2)c1 ZINC000898071971 620477248 /nfs/dbraw/zinc/47/72/48/620477248.db2.gz WHCJFGBUWSFSBV-ZDUSSCGKSA-N 1 0 288.416 3.222 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+]C[C@@H](N)c2ccccc2)c1O ZINC000841038036 620478295 /nfs/dbraw/zinc/47/82/95/620478295.db2.gz SHYNAMWQOPHZHR-OAHLLOKOSA-N 1 0 290.794 3.144 20 10 CGCDRO CCOc1cccc(C[NH2+][C@H](c2ccncc2)C2CC2)c1O ZINC000898324680 620506993 /nfs/dbraw/zinc/50/69/93/620506993.db2.gz JFWZHHLZSINEPY-KRWDZBQOSA-N 1 0 298.386 3.427 20 10 CGCDRO C[NH+](C)CC(C)(C)C[N@H+](C)Cc1cccc(Cl)c1[O-] ZINC000898307830 620509650 /nfs/dbraw/zinc/50/96/50/620509650.db2.gz IALWYXGPCZJUON-UHFFFAOYSA-N 1 0 284.831 3.065 20 10 CGCDRO Cc1ccc(C[NH2+][C@H](c2ccncc2)C2CC2)c(O)c1 ZINC000898317525 620511621 /nfs/dbraw/zinc/51/16/21/620511621.db2.gz IVDOYROWAXICCR-KRWDZBQOSA-N 1 0 268.360 3.337 20 10 CGCDRO CC(C)(C)c1cnc(C[NH2+]CCc2ccc(N)cc2)s1 ZINC000841038672 620515837 /nfs/dbraw/zinc/51/58/37/620515837.db2.gz NNRFECBWKWCSGV-UHFFFAOYSA-N 1 0 289.448 3.355 20 10 CGCDRO Cc1cccc(C[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)c1C ZINC000841041264 620521871 /nfs/dbraw/zinc/52/18/71/620521871.db2.gz ZDXZRLINFABWNX-IBGZPJMESA-N 1 0 297.446 3.159 20 10 CGCDRO CC[C@](C)(C[NH2+][C@H](C)c1cc(C)ccc1O)OC ZINC000322962485 620526756 /nfs/dbraw/zinc/52/67/56/620526756.db2.gz UXQTZRLNXXUNKJ-IUODEOHRSA-N 1 0 251.370 3.166 20 10 CGCDRO C[C@@H]1CCC[C@H](C[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)C1 ZINC000841044510 620543192 /nfs/dbraw/zinc/54/31/92/620543192.db2.gz ZDNXPMUUOHOXEH-VKJFTORMSA-N 1 0 289.467 3.168 20 10 CGCDRO CCC[C@@H](O)CC[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000927020865 620562977 /nfs/dbraw/zinc/56/29/77/620562977.db2.gz ZNMDDPVBDUVKMA-UONOGXRCSA-N 1 0 265.397 3.211 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2C[C@@H]3CSC[C@]3(C)C2)cc1C ZINC000898422390 620586277 /nfs/dbraw/zinc/58/62/77/620586277.db2.gz KJOOFGRFCFXSJA-ZBFHGGJFSA-N 1 0 277.433 3.194 20 10 CGCDRO C[C@H](CCc1ccccc1)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000237513713 620883930 /nfs/dbraw/zinc/88/39/30/620883930.db2.gz FRRXYQQUXWSVLU-CYBMUJFWSA-N 1 0 299.370 3.232 20 10 CGCDRO C[C@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccc2ccccc2c1O ZINC000902469023 621340361 /nfs/dbraw/zinc/34/03/61/621340361.db2.gz NPMXSNJJUKNROX-XYZKALLWSA-N 1 0 282.387 3.089 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCO[C@H]2C2CC2)c2c1c(F)ccc2O ZINC000903265573 621643681 /nfs/dbraw/zinc/64/36/81/621643681.db2.gz NPUVQVMCFXSBIQ-HYNLGEKVSA-N 1 0 291.366 3.237 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C2CC3(C2)CO[C@@H](C)C3)c(O)c1 ZINC000903284649 621651653 /nfs/dbraw/zinc/65/16/53/621651653.db2.gz XKUCIFSRJFZPHP-WIJYIZELSA-N 1 0 275.392 3.309 20 10 CGCDRO C[C@H]([NH2+]CC[C@@H]1CCCC[C@@H]1O)c1cc(F)ccc1O ZINC000903266498 621653100 /nfs/dbraw/zinc/65/31/00/621653100.db2.gz ZVSQJQPDGTWOFZ-HUBLWGQQSA-N 1 0 281.371 3.123 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+][C@@H]1CCOC13CCCCC3)CC2 ZINC000903269316 621655931 /nfs/dbraw/zinc/65/59/31/621655931.db2.gz VQCIBABDEQBYDD-GDBMZVCRSA-N 1 0 287.403 3.461 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1C)c1cc(Cl)ccc1O ZINC000903300476 621667611 /nfs/dbraw/zinc/66/76/11/621667611.db2.gz IPSZBUVOLWGNAX-DDTOSNHZSA-N 1 0 282.815 3.179 20 10 CGCDRO C[C@@H]([NH2+][C@@H](CO)CCc1ccccc1)c1ccccc1O ZINC000903290158 621672820 /nfs/dbraw/zinc/67/28/20/621672820.db2.gz RVEOKTUGWWJHTB-GDBMZVCRSA-N 1 0 285.387 3.037 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2COC[C@H]2C)c1O ZINC000903393652 621718009 /nfs/dbraw/zinc/71/80/09/621718009.db2.gz QXTAUKYFHBDJQV-NRUUGDAUSA-N 1 0 269.772 3.040 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCOC23CCCC3)c1O ZINC000903390565 621728660 /nfs/dbraw/zinc/72/86/60/621728660.db2.gz WDAXASYHWHXQBK-DOMZBBRYSA-N 1 0 291.391 3.153 20 10 CGCDRO C[C@H]([NH2+][C@@H]1COC[C@H]1C1CC1)c1cc(Cl)ccc1O ZINC000903435283 621745437 /nfs/dbraw/zinc/74/54/37/621745437.db2.gz CCUFLIDGWQLLIR-QCZZGDTMSA-N 1 0 281.783 3.121 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CCCC[C@@H]2C)c1 ZINC000042857882 621863494 /nfs/dbraw/zinc/86/34/94/621863494.db2.gz AWLMONQIAZGTHP-STQMWFEESA-N 1 0 263.381 3.317 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CCSC(C)(C)C2)c1O ZINC000164470779 622835615 /nfs/dbraw/zinc/83/56/15/622835615.db2.gz BPMCWCWOIKMPRB-UHFFFAOYSA-N 1 0 281.421 3.037 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CCOCC2CC2)cc1 ZINC000224532747 622879428 /nfs/dbraw/zinc/87/94/28/622879428.db2.gz AKRDYTLFRVCFGM-UHFFFAOYSA-N 1 0 276.424 3.049 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1CCCCS1)c1ccccc1O ZINC000157912713 622978404 /nfs/dbraw/zinc/97/84/04/622978404.db2.gz LCQSEHWJUDWFKQ-NWDGAFQWSA-N 1 0 251.395 3.329 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc(CO)cc1)c1ccccc1O ZINC000226560531 622981384 /nfs/dbraw/zinc/98/13/84/622981384.db2.gz VTCVRXHDXQLIAS-MRXNPFEDSA-N 1 0 271.360 3.125 20 10 CGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCCS2)cc1C ZINC000158015230 622992871 /nfs/dbraw/zinc/99/28/71/622992871.db2.gz NALIIYQYOABBAS-AWEZNQCLSA-N 1 0 265.422 3.379 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CCOC(C)(C)C2)cc1C ZINC000228084312 623040035 /nfs/dbraw/zinc/04/00/35/623040035.db2.gz XJPAWNPGYRGMTI-CQSZACIVSA-N 1 0 263.381 3.051 20 10 CGCDRO C[NH2+]CCc1ccccc1C(=O)N(C)c1ccc(C)cc1 ZINC000228503042 623060005 /nfs/dbraw/zinc/06/00/05/623060005.db2.gz HILOOYBSZHRQPG-UHFFFAOYSA-N 1 0 282.387 3.034 20 10 CGCDRO c1csc(C[NH2+]Cc2ccc3c(c2)CCCO3)c1 ZINC000062351256 623225580 /nfs/dbraw/zinc/22/55/80/623225580.db2.gz CACLMQZNQWYLST-UHFFFAOYSA-N 1 0 259.374 3.363 20 10 CGCDRO CCOc1cccc(C[NH2+]C[C@@H]2CCC[C@@H]2C)c1O ZINC000230665820 623258080 /nfs/dbraw/zinc/25/80/80/623258080.db2.gz IKIIQDCQUJYNAY-STQMWFEESA-N 1 0 263.381 3.317 20 10 CGCDRO CCC[NH+]1CCC([NH2+][C@H](C)c2ccc(F)cc2[O-])CC1 ZINC000062745317 623265313 /nfs/dbraw/zinc/26/53/13/623265313.db2.gz DDRUSNJITRGBLW-GFCCVEGCSA-N 1 0 280.387 3.056 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]CCC(F)(F)F ZINC000063098667 623296220 /nfs/dbraw/zinc/29/62/20/623296220.db2.gz AGDOMFVUUNQTAZ-UHFFFAOYSA-N 1 0 253.651 3.088 20 10 CGCDRO CC[C@@H](COC)[NH2+][C@H](C)c1ccc(N(C)CC)cc1 ZINC000152884082 623728148 /nfs/dbraw/zinc/72/81/48/623728148.db2.gz RIJUSMMYAFINAP-HIFRSBDPSA-N 1 0 264.413 3.218 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C1CCC1 ZINC000324655806 624110631 /nfs/dbraw/zinc/11/06/31/624110631.db2.gz GUYVSFVIIIURMK-SFHVURJKSA-N 1 0 288.435 3.192 20 10 CGCDRO COc1cccc(C[N@@H+]2Cc3ccccc3C[C@@H]2C)c1O ZINC000179910599 624696139 /nfs/dbraw/zinc/69/61/39/624696139.db2.gz MDASHZONKWHTQQ-ZDUSSCGKSA-N 1 0 283.371 3.348 20 10 CGCDRO C[C@H]([NH2+]Cc1nccn1C)c1ccc2ccccc2c1O ZINC000071273018 625069639 /nfs/dbraw/zinc/06/96/39/625069639.db2.gz NPEILIMCQAQFHJ-LBPRGKRZSA-N 1 0 281.359 3.130 20 10 CGCDRO COc1cccc(C[NH2+][C@@H]2CC[C@H](C)[C@@H](C)C2)c1O ZINC000085041569 625792635 /nfs/dbraw/zinc/79/26/35/625792635.db2.gz LDBLHXWHFJTUHN-SGMGOOAPSA-N 1 0 263.381 3.315 20 10 CGCDRO COc1ccc(O)c(C[NH2+]Cc2ccc3c(c2)C[C@@H](C)O3)c1 ZINC000921741139 625859746 /nfs/dbraw/zinc/85/97/46/625859746.db2.gz SHZBAYHJXIRYBT-GFCCVEGCSA-N 1 0 299.370 3.014 20 10 CGCDRO c1cc2c(cc1C[NH2+][C@@H]1[C@@H]3CCO[C@@H]3C13CCC3)CCCO2 ZINC000921934489 625933862 /nfs/dbraw/zinc/93/38/62/625933862.db2.gz GLBAUILJAUAXPX-JQHSSLGASA-N 1 0 299.414 3.059 20 10 CGCDRO C[C@@H]1CC(C[NH2+]Cc2ccc3c(c2)CCCO3)C[C@@H](C)O1 ZINC000922093984 625969456 /nfs/dbraw/zinc/96/94/56/625969456.db2.gz FQCJCJGJLQNDHM-ZIAGYGMSSA-N 1 0 289.419 3.305 20 10 CGCDRO Cc1ccoc1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922142546 625972197 /nfs/dbraw/zinc/97/21/97/625972197.db2.gz COCGXKXOGYIRHK-UHFFFAOYSA-N 1 0 257.333 3.203 20 10 CGCDRO Cc1ccncc1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922157727 625974375 /nfs/dbraw/zinc/97/43/75/625974375.db2.gz DBDDLICCZCVCNT-UHFFFAOYSA-N 1 0 268.360 3.005 20 10 CGCDRO CCO[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2cc(OC)ccc2O)C1 ZINC000922217087 625984863 /nfs/dbraw/zinc/98/48/63/625984863.db2.gz LUEDLXKBBXWLMJ-KCQAQPDRSA-N 1 0 293.407 3.399 20 10 CGCDRO c1cc2c(cc1C[NH2+]CCC1SCCS1)CCCO2 ZINC000922263162 625991382 /nfs/dbraw/zinc/99/13/82/625991382.db2.gz RAQHPTNWSTWTCB-UHFFFAOYSA-N 1 0 295.473 3.297 20 10 CGCDRO Cc1cc(O)c(C[NH2+]Cc2c(C)cc(CO)cc2C)cc1C ZINC000922561988 626012769 /nfs/dbraw/zinc/01/27/69/626012769.db2.gz UEHUXOFWAIAQRX-UHFFFAOYSA-N 1 0 299.414 3.408 20 10 CGCDRO [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@]12CCC[C@H]1OCC2 ZINC000922692025 626032726 /nfs/dbraw/zinc/03/27/26/626032726.db2.gz INUKAGKPXRQIRJ-UKRRQHHQSA-N 1 0 299.773 3.234 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000922731117 626040411 /nfs/dbraw/zinc/04/04/11/626040411.db2.gz LMZUXCUJSHBOJY-IONNQARKSA-N 1 0 279.689 3.334 20 10 CGCDRO Cc1nc2c(cccc2CC[NH2+]Cc2cc(C)ccc2O)o1 ZINC000922771239 626044727 /nfs/dbraw/zinc/04/47/27/626044727.db2.gz ZORPIHUVRMDWMI-UHFFFAOYSA-N 1 0 296.370 3.483 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2O)CCS1 ZINC000922843335 626056032 /nfs/dbraw/zinc/05/60/32/626056032.db2.gz QASBUCHZGWTIBR-BXKDBHETSA-N 1 0 271.813 3.419 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@H+]2C[C@H](C)OC(C)(C)C2)c1 ZINC000164206200 626085735 /nfs/dbraw/zinc/08/57/35/626085735.db2.gz MTEACKHEFIKHFH-ZDUSSCGKSA-N 1 0 263.381 3.008 20 10 CGCDRO CC(C)[C@@H]([NH2+]Cc1cc(Cl)ccc1O)c1cnn(C)c1 ZINC000922893887 626091080 /nfs/dbraw/zinc/09/10/80/626091080.db2.gz JMGIELUQQZGYIR-OAHLLOKOSA-N 1 0 293.798 3.266 20 10 CGCDRO CCc1onc(C)c1C[NH2+]Cc1c(O)cccc1Cl ZINC000922984281 626113460 /nfs/dbraw/zinc/11/34/60/626113460.db2.gz XXFIRUZJZGPRMV-UHFFFAOYSA-N 1 0 280.755 3.194 20 10 CGCDRO COc1cccc(C[NH2+][C@@]2(C)CCOc3ccccc32)c1O ZINC000923024830 626121118 /nfs/dbraw/zinc/12/11/18/626121118.db2.gz ILBCMBHJABAAJS-SFHVURJKSA-N 1 0 299.370 3.188 20 10 CGCDRO CCCN(Cc1cnc(C2CC2)nc1)c1ccc(C[NH3+])cc1 ZINC000839057585 626304022 /nfs/dbraw/zinc/30/40/22/626304022.db2.gz MEROTIDUVVIXEX-UHFFFAOYSA-N 1 0 296.418 3.229 20 10 CGCDRO CCCCC[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000753858459 626467906 /nfs/dbraw/zinc/46/79/06/626467906.db2.gz SCHCTTYMTUUFLA-UHFFFAOYSA-N 1 0 280.387 3.147 20 10 CGCDRO COc1cc(C)cc(C[N@H+](C)[C@H](C)C2(C)CC2)c1O ZINC000754738936 626585760 /nfs/dbraw/zinc/58/57/60/626585760.db2.gz IKKLYFRZXJKSLL-GFCCVEGCSA-N 1 0 263.381 3.330 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000754739617 626585963 /nfs/dbraw/zinc/58/59/63/626585963.db2.gz FZAKXMFXSPYRTK-HZPDHXFCSA-N 1 0 289.419 3.258 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2cccnc2)c2c1c(F)ccc2O ZINC000756344276 626693911 /nfs/dbraw/zinc/69/39/11/626693911.db2.gz PGRHYJOSALGUIG-ZWNOBZJWSA-N 1 0 272.323 3.264 20 10 CGCDRO CCN1CCC([NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)CC1 ZINC000756360067 626696425 /nfs/dbraw/zinc/69/64/25/626696425.db2.gz DDZOIXCWIZKQCM-FZMZJTMJSA-N 1 0 292.398 3.154 20 10 CGCDRO C[C@@H]([NH2+]CCN1CCC[C@H](C)C1)c1cc(Cl)ccc1O ZINC000756417109 626704045 /nfs/dbraw/zinc/70/40/45/626704045.db2.gz PKFDJNFKTNLUFP-QWHCGFSZSA-N 1 0 296.842 3.428 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CCCN(C)C1)c1cc2c(cc1O)CCCC2 ZINC000756445128 626706492 /nfs/dbraw/zinc/70/64/92/626706492.db2.gz KJLDZNCWVDENNF-CJNGLKHVSA-N 1 0 288.435 3.016 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc3c(c2)CCO3)c(O)c1 ZINC000756516202 626711509 /nfs/dbraw/zinc/71/15/09/626711509.db2.gz RHBBNUODCHWWAG-ZDUSSCGKSA-N 1 0 283.371 3.486 20 10 CGCDRO CCN(CC[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F)C(C)C ZINC000756527564 626712747 /nfs/dbraw/zinc/71/27/47/626712747.db2.gz ZVXLZVVTWBKQTC-TZMCWYRMSA-N 1 0 294.414 3.400 20 10 CGCDRO CCC(CC)[C@H](O)C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756569949 626716406 /nfs/dbraw/zinc/71/64/06/626716406.db2.gz SYBXASMYETXZBE-RIEGTJTDSA-N 1 0 295.398 3.466 20 10 CGCDRO CC[C@H](C)[C@@](C)(O)C[NH2+][C@H](C)c1ccc(C)cc1O ZINC000756577970 626717696 /nfs/dbraw/zinc/71/76/96/626717696.db2.gz UCSHFPUYVCYWTM-ZENOOKHLSA-N 1 0 265.397 3.148 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCCC(=O)OC(C)(C)C)c1 ZINC000756629224 626721883 /nfs/dbraw/zinc/72/18/83/626721883.db2.gz OSDHMJWGKPIFPC-CYBMUJFWSA-N 1 0 293.407 3.473 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C2CCC(C)(O)CC2)c(O)c1C ZINC000756635841 626722581 /nfs/dbraw/zinc/72/25/81/626722581.db2.gz UDNBZNJWKVZAMG-CBCUQQMYSA-N 1 0 277.408 3.353 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(F)cn2)c(O)c1 ZINC000756658309 626725186 /nfs/dbraw/zinc/72/51/86/626725186.db2.gz IZFVPBAUWFUCBS-LLVKDONJSA-N 1 0 260.312 3.086 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(F)cn2)c(O)c1 ZINC000756658311 626725400 /nfs/dbraw/zinc/72/54/00/626725400.db2.gz IZFVPBAUWFUCBS-NSHDSACASA-N 1 0 260.312 3.086 20 10 CGCDRO CC[C@@H](O)CCC[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000756731472 626728016 /nfs/dbraw/zinc/72/80/16/626728016.db2.gz BLOGJMMFXHCMQU-ZIAGYGMSSA-N 1 0 265.397 3.211 20 10 CGCDRO Cc1cccc(NCC[NH2+][C@H](C)c2ccc(C)c(C)c2O)n1 ZINC000756744634 626729061 /nfs/dbraw/zinc/72/90/61/626729061.db2.gz BJSAMDQASFSQOF-OAHLLOKOSA-N 1 0 299.418 3.475 20 10 CGCDRO CO[C@@H]1CCC[C@H]1C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756785290 626732173 /nfs/dbraw/zinc/73/21/73/626732173.db2.gz CJZDCHGIKNGMBZ-ISTVAULSSA-N 1 0 285.334 3.136 20 10 CGCDRO CCOc1ccc(C[N@H+](C)[C@H](C)c2ccncc2)c(O)c1 ZINC000757882388 626812048 /nfs/dbraw/zinc/81/20/48/626812048.db2.gz NXAIYLOURFJAHZ-CYBMUJFWSA-N 1 0 286.375 3.379 20 10 CGCDRO CCOc1ccc(C[N@H+](C)[C@H](C)c2cccnc2)c(O)c1 ZINC000757891191 626812805 /nfs/dbraw/zinc/81/28/05/626812805.db2.gz LXVMREVAUOJOOK-CYBMUJFWSA-N 1 0 286.375 3.379 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CCC[C@@H](C)CO)cc1F ZINC000758580724 626849723 /nfs/dbraw/zinc/84/97/23/626849723.db2.gz PTVAVJAHUMANPW-CQSZACIVSA-N 1 0 296.430 3.170 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]C2CC(F)(F)C2)c2c1c(F)ccc2O ZINC000760039995 626937486 /nfs/dbraw/zinc/93/74/86/626937486.db2.gz RMTHUTYHBHEBKT-XCBNKYQSSA-N 1 0 271.282 3.467 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2nn(C)c3ccccc23)c1 ZINC000760897414 627000865 /nfs/dbraw/zinc/00/08/65/627000865.db2.gz KVXMQEJBTKIXJT-ZDUSSCGKSA-N 1 0 295.386 3.438 20 10 CGCDRO Cc1ccc(C(C)(C)[NH2+]Cc2cc(F)ccc2O)cn1 ZINC000761225687 627026880 /nfs/dbraw/zinc/02/68/80/627026880.db2.gz KWDPDKCEEZOHDO-UHFFFAOYSA-N 1 0 274.339 3.260 20 10 CGCDRO CCOc1ccc(C[N@H+](CC)CCC2CC2)c(O)c1 ZINC000761226832 627027142 /nfs/dbraw/zinc/02/71/42/627027142.db2.gz VTTZRLJOBFNREJ-UHFFFAOYSA-N 1 0 263.381 3.413 20 10 CGCDRO Cc1cccc2c1C[N@H+](Cc1ccccc1O)CC2 ZINC000763507312 627161704 /nfs/dbraw/zinc/16/17/04/627161704.db2.gz SDDUOXMMCAMPTN-UHFFFAOYSA-N 1 0 253.345 3.259 20 10 CGCDRO CC[C@@H](C)[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000765126639 627240962 /nfs/dbraw/zinc/24/09/62/627240962.db2.gz LIESRXPGSOKTHB-MCIONIFRSA-N 1 0 294.414 3.327 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](O)CC(C)C)c1ccc(N(C)C)cc1 ZINC000765473146 627251628 /nfs/dbraw/zinc/25/16/28/627251628.db2.gz DCWSSVJTAMQZOY-IRXDYDNUSA-N 1 0 278.440 3.200 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H](O)CC(C)C)cc1 ZINC000765474587 627252352 /nfs/dbraw/zinc/25/23/52/627252352.db2.gz PLKLMBOKQQKHLJ-YOEHRIQHSA-N 1 0 278.440 3.200 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CCCC2CCOCC2)cc1F ZINC000765927793 627278602 /nfs/dbraw/zinc/27/86/02/627278602.db2.gz JIXLWGSMVTZVLJ-UHFFFAOYSA-N 1 0 294.414 3.188 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H](OC)C(C)C)c1ccc(N(C)C)cc1 ZINC000766366212 627323412 /nfs/dbraw/zinc/32/34/12/627323412.db2.gz MVOAJFCIVWGQEH-IAGOWNOFSA-N 1 0 278.440 3.464 20 10 CGCDRO COc1cccc(O)c1C[NH2+][C@H]1CCCC(F)(F)C1 ZINC000767927806 627444195 /nfs/dbraw/zinc/44/41/95/627444195.db2.gz CVEPXRCKLYWCEH-JTQLQIEISA-N 1 0 271.307 3.068 20 10 CGCDRO CCCC[N@H+](Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000768290875 627472922 /nfs/dbraw/zinc/47/29/22/627472922.db2.gz JLHUCLYOBGGEQZ-UHFFFAOYSA-N 1 0 288.435 3.288 20 10 CGCDRO COCC[C@@H]1CCCC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000768541717 627485170 /nfs/dbraw/zinc/48/51/70/627485170.db2.gz QQPKBKQTAMABBO-INIZCTEOSA-N 1 0 290.451 3.391 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCC(C)(C)C2)c1 ZINC000768662154 627491461 /nfs/dbraw/zinc/49/14/61/627491461.db2.gz RWSKTUPQQZZCHI-ZDUSSCGKSA-N 1 0 263.381 3.459 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C1CC(C(F)F)C1 ZINC000768687005 627493139 /nfs/dbraw/zinc/49/31/39/627493139.db2.gz CNEMPNQVOJQGOV-UHFFFAOYSA-N 1 0 268.351 3.194 20 10 CGCDRO CCOc1ccc(C[NH+]2C[C@@H]3CCCC[C@H]3C2)c(O)c1 ZINC000769427089 627550910 /nfs/dbraw/zinc/55/09/10/627550910.db2.gz ZCKNUOFEEFAJEE-KBPBESRZSA-N 1 0 275.392 3.413 20 10 CGCDRO CCOc1ccc(C[N@@H+]2C[C@H](C)CC[C@H]2C)c(O)c1 ZINC000769445664 627552677 /nfs/dbraw/zinc/55/26/77/627552677.db2.gz JZBUSCIDFDXMFJ-CHWSQXEVSA-N 1 0 263.381 3.411 20 10 CGCDRO CN(C)c1ccc(C[NH+]2CCC(C(F)F)CC2)cc1 ZINC000769445638 627552708 /nfs/dbraw/zinc/55/27/08/627552708.db2.gz HFRDCMGXEBLQQK-UHFFFAOYSA-N 1 0 268.351 3.230 20 10 CGCDRO C[C@]1(O)CCC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000769469456 627556482 /nfs/dbraw/zinc/55/64/82/627556482.db2.gz YOSZGGVVVMQVTH-IBGZPJMESA-N 1 0 297.398 3.406 20 10 CGCDRO C[N@H+](Cc1ccc[nH]1)Cc1cc(Cl)ccc1O ZINC000769541506 627564464 /nfs/dbraw/zinc/56/44/64/627564464.db2.gz CEINWBIKEUMUNR-UHFFFAOYSA-N 1 0 250.729 3.006 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CCS[C@@H](C(C)C)C2)c(O)c1 ZINC000769548012 627565168 /nfs/dbraw/zinc/56/51/68/627565168.db2.gz GBKMMWMABCQGNK-MRXNPFEDSA-N 1 0 295.448 3.364 20 10 CGCDRO COc1cc(O)c(C[NH2+][C@H](C)CCC2CC2)cc1OC ZINC000769560117 627567052 /nfs/dbraw/zinc/56/70/52/627567052.db2.gz SGFJFIRJLNOCRD-LLVKDONJSA-N 1 0 279.380 3.078 20 10 CGCDRO CCN(C)c1ccc(C[N@H+](C[C@H](C)OC)C(C)C)cc1 ZINC000773750708 627910441 /nfs/dbraw/zinc/91/04/41/627910441.db2.gz DZSGVNZRLKDPOP-HNNXBMFYSA-N 1 0 278.440 3.388 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@H](C3CC3)C2)cc1 ZINC000773821115 627916756 /nfs/dbraw/zinc/91/67/56/627916756.db2.gz SGBOIHVMGBIDJZ-MRXNPFEDSA-N 1 0 258.409 3.375 20 10 CGCDRO C[C@H]([NH2+]CCN1CCCC(C)(C)C1)c1ccccc1O ZINC000774487875 627997747 /nfs/dbraw/zinc/99/77/47/627997747.db2.gz OACCOUNEIBMLLU-AWEZNQCLSA-N 1 0 276.424 3.165 20 10 CGCDRO C[C@@H]([NH2+]Cc1cnc2ccccn12)c1ccc(N(C)C)cc1 ZINC000775366036 628086188 /nfs/dbraw/zinc/08/61/88/628086188.db2.gz YZILMNYDLACAJR-CQSZACIVSA-N 1 0 294.402 3.251 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H](C)COC)c1cc(Cl)ccc1O ZINC000775487713 628099748 /nfs/dbraw/zinc/09/97/48/628099748.db2.gz CTYMWSYHEPODLV-GXFFZTMASA-N 1 0 271.788 3.369 20 10 CGCDRO CC[C@H]([NH2+]CCn1ccnc1C)c1cc(Cl)ccc1O ZINC000775500098 628101278 /nfs/dbraw/zinc/10/12/78/628101278.db2.gz OKFUNOKHCGNMLK-AWEZNQCLSA-N 1 0 293.798 3.291 20 10 CGCDRO CC[C@@H]([NH2+]C[C@](C)(O)C1CC1)c1cc(Cl)ccc1O ZINC000775503593 628102016 /nfs/dbraw/zinc/10/20/16/628102016.db2.gz KEYZJDCZOZXPRB-HIFRSBDPSA-N 1 0 283.799 3.247 20 10 CGCDRO CC[C@H]([NH2+][C@H](CCO)C1CC1)c1cc(Cl)ccc1O ZINC000775526878 628104266 /nfs/dbraw/zinc/10/42/66/628104266.db2.gz MUCFXNAWTRVERD-UONOGXRCSA-N 1 0 283.799 3.247 20 10 CGCDRO CC[C@@H]([NH2+]CCC[C@H](C)CO)c1cc(Cl)ccc1O ZINC000775527378 628104317 /nfs/dbraw/zinc/10/43/17/628104317.db2.gz WOOOIYIKSMYDKQ-SMDDNHRTSA-N 1 0 285.815 3.495 20 10 CGCDRO C/C=C/C[C@H](CO)[NH2+][C@@H](CC)c1cc(Cl)ccc1O ZINC000775554388 628105710 /nfs/dbraw/zinc/10/57/10/628105710.db2.gz ITWUBEUQCKIVLM-ZPSXMKBBSA-N 1 0 283.799 3.413 20 10 CGCDRO COC(C)(C)C[N@H+](C)Cc1cc(Cl)cc(C)c1O ZINC000775737060 628130910 /nfs/dbraw/zinc/13/09/10/628130910.db2.gz ACJZIEHATBLRBU-UHFFFAOYSA-N 1 0 271.788 3.211 20 10 CGCDRO C[C@H]([NH2+]CCc1ccc(CO)cc1)c1ccc(N(C)C)cc1 ZINC000776166594 628174698 /nfs/dbraw/zinc/17/46/98/628174698.db2.gz CWPGSJVUFWMMLQ-HNNXBMFYSA-N 1 0 298.430 3.138 20 10 CGCDRO COc1ccc(C[NH2+]C[C@H]2CCc3ccccc3C2)c(O)c1 ZINC000776174766 628175898 /nfs/dbraw/zinc/17/58/98/628175898.db2.gz GADBVCFSUUSKKE-AWEZNQCLSA-N 1 0 297.398 3.296 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C[C@H]2CCc3ccccc32)c1 ZINC000776175297 628176925 /nfs/dbraw/zinc/17/69/25/628176925.db2.gz OJAGWDTXYPAGGD-CQSZACIVSA-N 1 0 283.371 3.220 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]CC[C@@H]2COc3ccccc3O2)c1 ZINC000776251584 628184775 /nfs/dbraw/zinc/18/47/75/628184775.db2.gz MWXCSMGDHCTQON-OAHLLOKOSA-N 1 0 299.370 3.020 20 10 CGCDRO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]Cc2cc(C)c(C)cc2O)C1(C)C ZINC000776497248 628214236 /nfs/dbraw/zinc/21/42/36/628214236.db2.gz DBQHUVICSNFUOV-APHBMKBZSA-N 1 0 277.408 3.158 20 10 CGCDRO CC(C)C[C@@H]1C[C@H]([NH2+]Cc2ccccc2O)CCO1 ZINC000776950434 628240690 /nfs/dbraw/zinc/24/06/90/628240690.db2.gz BGTBZZRZABFEDP-HUUCEWRRSA-N 1 0 263.381 3.076 20 10 CGCDRO Oc1cccc(Cl)c1C[N@@H+]1CCC[C@@H]1C1CCOCC1 ZINC000777440154 628271116 /nfs/dbraw/zinc/27/11/16/628271116.db2.gz VPSNNQVXDANZBS-OAHLLOKOSA-N 1 0 295.810 3.437 20 10 CGCDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@H]1c1ccccc1 ZINC000778984612 628381133 /nfs/dbraw/zinc/38/11/33/628381133.db2.gz HFSYEKYFVNHEAG-HNNXBMFYSA-N 1 0 257.308 3.478 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]Cc1ccc2ccccc2n1 ZINC000779058904 628385470 /nfs/dbraw/zinc/38/54/70/628385470.db2.gz REETZWAAOIRROP-UHFFFAOYSA-N 1 0 282.318 3.369 20 10 CGCDRO C[N@@H+](Cc1c(O)cccc1Cl)C[C@H]1CCCC[C@@H]1O ZINC000779152510 628390741 /nfs/dbraw/zinc/39/07/41/628390741.db2.gz BBSJGTUWQZBJJG-RISCZKNCSA-N 1 0 283.799 3.029 20 10 CGCDRO C[N@@H+](Cc1c(O)cccc1Cl)C[C@H]1CCCC[C@H]1O ZINC000779152506 628391193 /nfs/dbraw/zinc/39/11/93/628391193.db2.gz BBSJGTUWQZBJJG-BXUZGUMPSA-N 1 0 283.799 3.029 20 10 CGCDRO COc1cccc(C[N@@H+]2CC[C@]3(CC[C@@H](C)C3)C2)c1O ZINC000781931617 628606028 /nfs/dbraw/zinc/60/60/28/628606028.db2.gz ZMLFEDLPTNEVFS-DYVFJYSZSA-N 1 0 275.392 3.413 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000781930410 628606138 /nfs/dbraw/zinc/60/61/38/628606138.db2.gz WSERUMOJDXJCHE-DYVFJYSZSA-N 1 0 275.392 3.413 20 10 CGCDRO CCOC(C)(C)C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000783313432 628702965 /nfs/dbraw/zinc/70/29/65/628702965.db2.gz RDAXMPDQKLJZLZ-PWSUYJOCSA-N 1 0 281.371 3.484 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccccc1O ZINC000783506084 628719625 /nfs/dbraw/zinc/71/96/25/628719625.db2.gz ODDVIOXGOOHFDE-LBPRGKRZSA-N 1 0 269.344 3.178 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCCCS2)cc1C ZINC000784615336 628825305 /nfs/dbraw/zinc/82/53/05/628825305.db2.gz GIQDNGLMFWLOMT-AWEZNQCLSA-N 1 0 265.422 3.384 20 10 CGCDRO CC(C)([NH2+]Cc1cc(Cl)ccc1O)C1CCOCC1 ZINC000785611525 628874103 /nfs/dbraw/zinc/87/41/03/628874103.db2.gz QXTQOKGNPHSJJI-UHFFFAOYSA-N 1 0 283.799 3.340 20 10 CGCDRO CCOc1ccc(C[NH+]2CC(C)(C)OC(C)(C)C2)c(O)c1 ZINC000785993461 628905679 /nfs/dbraw/zinc/90/56/79/628905679.db2.gz XWPNMYMOVAEMDH-UHFFFAOYSA-N 1 0 293.407 3.180 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@](C)(O)C(C)C)c(O)c1 ZINC000788590203 629066645 /nfs/dbraw/zinc/06/66/45/629066645.db2.gz FIPZHRTWECOIBS-XJKSGUPXSA-N 1 0 265.397 3.067 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2C[C@H](C)C[C@@H](C)[C@@H]2C)cc1OC ZINC000789586381 629148054 /nfs/dbraw/zinc/14/80/54/629148054.db2.gz NGHSHBJAHVDBQA-UPJWGTAASA-N 1 0 293.407 3.276 20 10 CGCDRO C[C@](O)(C[NH2+]Cc1c(O)cccc1Cl)C1CCCCC1 ZINC000790995177 629247742 /nfs/dbraw/zinc/24/77/42/629247742.db2.gz AHKHQNKUJZOPPJ-INIZCTEOSA-N 1 0 297.826 3.467 20 10 CGCDRO COc1ccc(C[NH2+]C[C@@](C)(O)C2CCCCC2)cc1C ZINC000790997140 629248716 /nfs/dbraw/zinc/24/87/16/629248716.db2.gz MGASCPDZKIIWFF-GOSISDBHSA-N 1 0 291.435 3.425 20 10 CGCDRO Cc1c(F)nccc1C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000862210561 629322892 /nfs/dbraw/zinc/32/28/92/629322892.db2.gz PCNQXUZXLWEZRA-UHFFFAOYSA-N 1 0 287.382 3.227 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)C1CC(F)(F)C1 ZINC000862275654 629336649 /nfs/dbraw/zinc/33/66/49/629336649.db2.gz XCTUTOLHSGMBNS-JTQLQIEISA-N 1 0 286.341 3.415 20 10 CGCDRO CO[C@H]1CC[N@H+](Cc2cc(F)c(N(C)C)cc2F)[C@@H](C)C1 ZINC000862353847 629347469 /nfs/dbraw/zinc/34/74/69/629347469.db2.gz CAGIPUNHJGFAST-AAEUAGOBSA-N 1 0 298.377 3.030 20 10 CGCDRO Cc1[nH+]ccc(NCc2c(O)cccc2Cl)c1Cl ZINC000792688554 629375178 /nfs/dbraw/zinc/37/51/78/629375178.db2.gz HCORXGDOXWCHHP-UHFFFAOYSA-N 1 0 283.158 3.436 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CCCC(F)(F)CC2)c1 ZINC000862467309 629383099 /nfs/dbraw/zinc/38/30/99/629383099.db2.gz RUVZRUBHZGGPHU-UHFFFAOYSA-N 1 0 285.334 3.412 20 10 CGCDRO CO[C@@H]1CCC[C@H]([NH2+]CCCSc2nccs2)C1 ZINC000792993607 629401162 /nfs/dbraw/zinc/40/11/62/629401162.db2.gz VSFLXGHDCJBXOP-NWDGAFQWSA-N 1 0 286.466 3.173 20 10 CGCDRO Oc1cccc(Cl)c1C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000793620063 629491070 /nfs/dbraw/zinc/49/10/70/629491070.db2.gz KHLKBZMLZMFNFV-OAHLLOKOSA-N 1 0 281.783 3.048 20 10 CGCDRO COc1cc(C[NH+]2C[C@H](C)C(F)(F)[C@@H](C)C2)c(O)cc1C ZINC000863272331 629518530 /nfs/dbraw/zinc/51/85/30/629518530.db2.gz AASGCHDBPREQRO-RYUDHWBXSA-N 1 0 299.361 3.432 20 10 CGCDRO CO[C@@]1(C)CCC[N@H+](Cc2cc(C)cc(C)c2O)C1 ZINC000794653267 629563768 /nfs/dbraw/zinc/56/37/68/629563768.db2.gz DIHYISYSUXCCAR-INIZCTEOSA-N 1 0 263.381 3.010 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)c1 ZINC000794656276 629564271 /nfs/dbraw/zinc/56/42/71/629564271.db2.gz SRVHAIWJMGNHLF-BBRMVZONSA-N 1 0 275.392 3.008 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H]1CCC[C@@H](O)C1)c1ccc(C)cc1O ZINC000794800579 629577965 /nfs/dbraw/zinc/57/79/65/629577965.db2.gz DWVKNNXKFQTJAX-FMKPAKJESA-N 1 0 277.408 3.292 20 10 CGCDRO CC[C@H]([NH2+]C[C@H](C1CC1)N(C)C)c1ccc(C)cc1O ZINC000794797432 629578315 /nfs/dbraw/zinc/57/83/15/629578315.db2.gz NJUMSPMIEBYRGN-JKSUJKDBSA-N 1 0 276.424 3.082 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H]1CCCN1CC)c1ccc(C)cc1O ZINC000794796579 629578471 /nfs/dbraw/zinc/57/84/71/629578471.db2.gz VJZVLOUHXXUUJY-GOEBONIOSA-N 1 0 276.424 3.226 20 10 CGCDRO CC[C@@H]([NH2+]CCN1CCC(C)CC1)c1ccc(C)cc1O ZINC000794798132 629578619 /nfs/dbraw/zinc/57/86/19/629578619.db2.gz TWVMURZFGXCFEB-QGZVFWFLSA-N 1 0 290.451 3.473 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CC[C@@H](CO)CC1)c1ccc(C)cc1O ZINC000794812825 629580269 /nfs/dbraw/zinc/58/02/69/629580269.db2.gz ZNMGLYYRWJNMOM-LZWOXQAQSA-N 1 0 277.408 3.292 20 10 CGCDRO CC[C@H]([NH2+]CC1(CCO)CCC1)c1ccc(C)cc1O ZINC000794816352 629581244 /nfs/dbraw/zinc/58/12/44/629581244.db2.gz MXQYKVPYAZIAMI-HNNXBMFYSA-N 1 0 277.408 3.294 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cccc(F)n1)c1ccc(C)cc1O ZINC000794815952 629581307 /nfs/dbraw/zinc/58/13/07/629581307.db2.gz MLGDYTYNNWCBDZ-CQSZACIVSA-N 1 0 274.339 3.476 20 10 CGCDRO COc1ccc(CNc2cc[nH+]c3ccc(C)cc23)c(O)c1 ZINC000795284159 629656326 /nfs/dbraw/zinc/65/63/26/629656326.db2.gz IXYQPJXKTLHGKA-UHFFFAOYSA-N 1 0 294.354 3.291 20 10 CGCDRO CO[C@H]1CC[C@H](C)[N@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000864054542 629749632 /nfs/dbraw/zinc/74/96/32/629749632.db2.gz URRKRUCOJSNPLX-AAEUAGOBSA-N 1 0 298.377 3.030 20 10 CGCDRO C[C@@H]([NH2+]Cc1cnn2ccccc12)c1cc(F)ccc1O ZINC000797057647 629879302 /nfs/dbraw/zinc/87/93/02/629879302.db2.gz OXKAGKAGGVKDDH-LLVKDONJSA-N 1 0 285.322 3.030 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CSC[C@H]1C)c1ccc(C)cc1O ZINC000797065585 629881131 /nfs/dbraw/zinc/88/11/31/629881131.db2.gz MEKOJMRBHVFVFM-KWCYVHTRSA-N 1 0 265.422 3.493 20 10 CGCDRO CC[C@H]([NH2+]C[C@H]1CCOC[C@H]1C)c1ccc(C)cc1O ZINC000797086851 629883008 /nfs/dbraw/zinc/88/30/08/629883008.db2.gz QDZVGDISDVUBQS-FMKPAKJESA-N 1 0 277.408 3.414 20 10 CGCDRO Oc1ccccc1C[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000798494080 630060221 /nfs/dbraw/zinc/06/02/21/630060221.db2.gz IXRNQWTYXYTTDR-CWRNSKLLSA-N 1 0 275.392 3.077 20 10 CGCDRO CC[C@@H]1C[N@H+](Cc2cc(C)c(C)cc2O)CCCO1 ZINC000798965262 630131690 /nfs/dbraw/zinc/13/16/90/630131690.db2.gz VJPXPWCQOWSTTM-OAHLLOKOSA-N 1 0 263.381 3.010 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H]2CCc3cccnc3CC2)c1 ZINC000865641510 630246882 /nfs/dbraw/zinc/24/68/82/630246882.db2.gz ZBDBWALKCISAFV-INIZCTEOSA-N 1 0 282.387 3.133 20 10 CGCDRO CCOCc1cc(C[NH2+]CC(C)(C)F)ccc1OC ZINC000865653369 630254546 /nfs/dbraw/zinc/25/45/46/630254546.db2.gz FEKDWAXWPKSUSI-UHFFFAOYSA-N 1 0 269.360 3.069 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCC12CCC2 ZINC000800478325 630284280 /nfs/dbraw/zinc/28/42/80/630284280.db2.gz DIDNRXLLEYLTBM-INIZCTEOSA-N 1 0 258.409 3.483 20 10 CGCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H](OC(F)F)C1)CCCC2 ZINC000802747301 630407585 /nfs/dbraw/zinc/40/75/85/630407585.db2.gz JEAYKOQKQPAHJC-AWEZNQCLSA-N 1 0 297.345 3.085 20 10 CGCDRO c1csc(SCCC[NH2+][C@@H]2CC[C@H]2C2CC2)n1 ZINC000806140039 630547740 /nfs/dbraw/zinc/54/77/40/630547740.db2.gz FYIMOVQCQOSMTM-NWDGAFQWSA-N 1 0 268.451 3.404 20 10 CGCDRO CS[C@@H]1CC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000840114365 630598905 /nfs/dbraw/zinc/59/89/05/630598905.db2.gz RFPVUAIZOHHRDT-OAHLLOKOSA-N 1 0 277.433 3.208 20 10 CGCDRO CC[C@H](CCO)[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808697944 630666664 /nfs/dbraw/zinc/66/66/64/630666664.db2.gz ZTKUILOKPYIYIS-CMPLNLGQSA-N 1 0 271.788 3.166 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]CC[C@@H](O)c1ccccc1 ZINC000809746977 630797759 /nfs/dbraw/zinc/79/77/59/630797759.db2.gz FNGFMRKGBDXGQS-MRXNPFEDSA-N 1 0 291.778 3.259 20 10 CGCDRO CCOc1ccc(C[N@H+](C)Cc2ccc(O)cc2)c(O)c1 ZINC000809753457 630800466 /nfs/dbraw/zinc/80/04/66/630800466.db2.gz KRCFFLXSKLLCAS-UHFFFAOYSA-N 1 0 287.359 3.129 20 10 CGCDRO CCCC[N@H+](CCCO)Cc1c(O)cccc1Cl ZINC000809752613 630800818 /nfs/dbraw/zinc/80/08/18/630800818.db2.gz TXKFODZABYCILE-UHFFFAOYSA-N 1 0 271.788 3.030 20 10 CGCDRO CC[C@@H](CSC)[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000809767100 630802290 /nfs/dbraw/zinc/80/22/90/630802290.db2.gz GFOCFPADGJVUMT-ZDUSSCGKSA-N 1 0 284.444 3.465 20 10 CGCDRO Cc1cccc2c1OC[C@H]([NH2+]Cc1ccc3c(c1)CCO3)C2 ZINC000810178962 630850634 /nfs/dbraw/zinc/85/06/34/630850634.db2.gz ZWHZCTUQUWXCCU-QGZVFWFLSA-N 1 0 295.382 3.023 20 10 CGCDRO CCCN(CC)C[C@H](C)[NH2+]Cc1ccc(OCC)cc1O ZINC000810180592 630850662 /nfs/dbraw/zinc/85/06/62/630850662.db2.gz CRACJQVDHZZPCK-AWEZNQCLSA-N 1 0 294.439 3.001 20 10 CGCDRO Cc1cccc2c1OC[C@@H]([NH2+]Cc1ccc3c(c1)CCO3)C2 ZINC000810178958 630851303 /nfs/dbraw/zinc/85/13/03/630851303.db2.gz ZWHZCTUQUWXCCU-KRWDZBQOSA-N 1 0 295.382 3.023 20 10 CGCDRO CC[C@@H]([NH2+][C@H]1CCOC1)c1ccc(C(F)(F)F)cc1O ZINC000810227975 630856765 /nfs/dbraw/zinc/85/67/65/630856765.db2.gz OILGDBNMMWRMFF-CMPLNLGQSA-N 1 0 289.297 3.241 20 10 CGCDRO CC[C@@H](C[NH2+][C@H](C)c1cc2c(cc1O)CCCC2)OC ZINC000810260344 630861479 /nfs/dbraw/zinc/86/14/79/630861479.db2.gz JGOKIBIRCVWWTD-DOMZBBRYSA-N 1 0 277.408 3.347 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)[C@@H]1C ZINC000813857263 631470402 /nfs/dbraw/zinc/47/04/02/631470402.db2.gz RNCJHMJXJUZXAK-GYSYKLTISA-N 1 0 250.361 3.026 20 10 CGCDRO COCC(C)(C)[N@H+](C)Cc1cc(Cl)cc(C)c1O ZINC000814178583 631540498 /nfs/dbraw/zinc/54/04/98/631540498.db2.gz WAIBGAKEIJSPIF-UHFFFAOYSA-N 1 0 271.788 3.211 20 10 CGCDRO COCC[N@H+](Cc1ccc(N(C)C)c(C)c1)C1CCCC1 ZINC000815022886 631704952 /nfs/dbraw/zinc/70/49/52/631704952.db2.gz CANJVPBYAKJITI-UHFFFAOYSA-N 1 0 290.451 3.452 20 10 CGCDRO Cc1cc(C[N@H+](C)C[C@@H]2CCCC[C@@H]2O)ccc1N(C)C ZINC000815087746 631713499 /nfs/dbraw/zinc/71/34/99/631713499.db2.gz NMSPNIAGZKVPMR-WMZOPIPTSA-N 1 0 290.451 3.044 20 10 CGCDRO Cc1cc(C[N@@H+]([C@H](C)CO)C2CCCC2)ccc1N(C)C ZINC000815098200 631716858 /nfs/dbraw/zinc/71/68/58/631716858.db2.gz CRFYNGFAHYAODM-OAHLLOKOSA-N 1 0 290.451 3.186 20 10 CGCDRO Cc1ccc(O)c(CNc2cc3c(c[nH+]2)CCC3)c1 ZINC000815159251 631732388 /nfs/dbraw/zinc/73/23/88/631732388.db2.gz OIHFUFIOZIWSFU-UHFFFAOYSA-N 1 0 254.333 3.196 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2ccccc2CO)c(O)c1 ZINC000815564763 631796587 /nfs/dbraw/zinc/79/65/87/631796587.db2.gz RQIVGTHNXNCVOZ-AWEZNQCLSA-N 1 0 285.387 3.352 20 10 CGCDRO CCC(CC)[C@H](O)C[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000815578189 631799212 /nfs/dbraw/zinc/79/92/12/631799212.db2.gz JNFWGWBVHVQECB-CZUORRHYSA-N 1 0 279.424 3.457 20 10 CGCDRO CO[C@H](C[NH2+][C@H](C)c1cc2c(cc1O)CCCC2)C1CC1 ZINC000815650943 631812395 /nfs/dbraw/zinc/81/23/95/631812395.db2.gz FXLSNEJXSIBZBJ-KZULUSFZSA-N 1 0 289.419 3.347 20 10 CGCDRO C[C@H]([NH2+]C[C@@H](CO)C1CCCCC1)c1cc(F)ccc1O ZINC000815648629 631812429 /nfs/dbraw/zinc/81/24/29/631812429.db2.gz SKGWZPOYQRFZRS-JSGCOSHPSA-N 1 0 295.398 3.371 20 10 CGCDRO CCC[N@H+](Cc1cnn(C)c1Cl)Cc1ccccc1O ZINC000816499253 631994497 /nfs/dbraw/zinc/99/44/97/631994497.db2.gz JTOJTYQZXBQEIV-UHFFFAOYSA-N 1 0 293.798 3.191 20 10 CGCDRO Oc1c(C[NH2+][C@@H]2CCSC2)ccc2ccccc21 ZINC000816555204 632012071 /nfs/dbraw/zinc/01/20/71/632012071.db2.gz XBIBFUIICHZSKG-CYBMUJFWSA-N 1 0 259.374 3.141 20 10 CGCDRO C[C@H]1C[C@@H](C[NH2+]Cc2ccc3ccccc3c2O)CCO1 ZINC000816560739 632013011 /nfs/dbraw/zinc/01/30/11/632013011.db2.gz YSLOARXUCXOGRI-KBPBESRZSA-N 1 0 285.387 3.450 20 10 CGCDRO CCN(C)c1ccc(C[NH+]2CCC(SC)CC2)cc1 ZINC000879099540 635702084 /nfs/dbraw/zinc/70/20/84/635702084.db2.gz QOBXABWSRQHWKL-UHFFFAOYSA-N 1 0 278.465 3.470 20 10 CGCDRO CC[C@H]1C[NH+](Cc2cc(C)cc(OC)c2O)C[C@H](CC)O1 ZINC000817364012 632131363 /nfs/dbraw/zinc/13/13/63/632131363.db2.gz BELAXBGTTLJNOL-GJZGRUSLSA-N 1 0 293.407 3.099 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]C[C@@H]2CC23CCSCC3)c1 ZINC000817410553 632142438 /nfs/dbraw/zinc/14/24/38/632142438.db2.gz NEVFRRDYSCMOPO-AWEZNQCLSA-N 1 0 277.433 3.324 20 10 CGCDRO Oc1c(C[NH2+]CCCC2(O)CCC2)ccc2ccccc21 ZINC000817414020 632143601 /nfs/dbraw/zinc/14/36/01/632143601.db2.gz DLVXUVKDFCFBJW-UHFFFAOYSA-N 1 0 285.387 3.330 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccccc1 ZINC000817939079 632238710 /nfs/dbraw/zinc/23/87/10/632238710.db2.gz YOWMRPXBESSHDX-RTBURBONSA-N 1 0 297.446 3.493 20 10 CGCDRO Cc1ccccc1[C@H](C)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000817938290 632238936 /nfs/dbraw/zinc/23/89/36/632238936.db2.gz IIMNJBXDQSZODJ-HNAYVOBHSA-N 1 0 297.446 3.412 20 10 CGCDRO CC[C@@H]([NH2+]CCC[NH3+])c1cc(Cl)cc(Cl)c1[O-] ZINC000817938435 632239483 /nfs/dbraw/zinc/23/94/83/632239483.db2.gz KLZVQGCCAPZBIY-LLVKDONJSA-N 1 0 277.195 3.089 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)C1CCCC1 ZINC000817940680 632240994 /nfs/dbraw/zinc/24/09/94/632240994.db2.gz GSCBXJWQNTUWKT-MSOLQXFVSA-N 1 0 289.467 3.311 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H](N)c2ccccc2)cc1 ZINC000817955264 632249956 /nfs/dbraw/zinc/24/99/56/632249956.db2.gz UPBGNZNBKMDMJA-DNVCBOLYSA-N 1 0 297.446 3.493 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](N)c2ccccc2)c(O)c1C ZINC000817955193 632250273 /nfs/dbraw/zinc/25/02/73/632250273.db2.gz SAYFMVMTNNETNB-PBHICJAKSA-N 1 0 284.403 3.360 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H](N)c2ccccc2)cc1 ZINC000817955265 632250313 /nfs/dbraw/zinc/25/03/13/632250313.db2.gz UPBGNZNBKMDMJA-HNAYVOBHSA-N 1 0 297.446 3.493 20 10 CGCDRO CC[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cccc(Cl)c1[O-] ZINC000817955528 632250514 /nfs/dbraw/zinc/25/05/14/632250514.db2.gz YAOBULPFVBWFMZ-RISCZKNCSA-N 1 0 282.815 3.086 20 10 CGCDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)c1ccc2c(c1)CCO2 ZINC000817956176 632251081 /nfs/dbraw/zinc/25/10/81/632251081.db2.gz SQAHCPCYHBLCRH-CYBMUJFWSA-N 1 0 282.387 3.097 20 10 CGCDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000817956249 632251173 /nfs/dbraw/zinc/25/11/73/632251173.db2.gz UTVFSZAPWHBAHE-GFCCVEGCSA-N 1 0 285.347 3.070 20 10 CGCDRO COc1cccc2c1CC[C@@H]2[NH2+]CCc1ccc(N)cc1 ZINC000817956346 632251256 /nfs/dbraw/zinc/25/12/56/632251256.db2.gz WWVVOWJKTHPBGW-KRWDZBQOSA-N 1 0 282.387 3.097 20 10 CGCDRO COc1ccc([C@@H](C)[NH2+]CCc2ccc(N)cc2)cc1 ZINC000817955863 632251302 /nfs/dbraw/zinc/25/13/02/632251302.db2.gz JOIJIZGCWGQXMU-CYBMUJFWSA-N 1 0 270.376 3.171 20 10 CGCDRO CC[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1cccc(Cl)c1[O-] ZINC000817986443 632274938 /nfs/dbraw/zinc/27/49/38/632274938.db2.gz PZZIFYNJZQTZLZ-OAHLLOKOSA-N 1 0 294.826 3.396 20 10 CGCDRO CCCN(CCC)c1ccc(C[NH2+][C@@H]2CCOC2)cc1 ZINC000818233315 632300919 /nfs/dbraw/zinc/30/09/19/632300919.db2.gz HUYKHJOSFSNVFM-MRXNPFEDSA-N 1 0 276.424 3.192 20 10 CGCDRO C[C@@H](c1ccccn1)N1CCCc2cc(C[NH3+])ccc21 ZINC000844219249 635833770 /nfs/dbraw/zinc/83/37/70/635833770.db2.gz KDFXJPGVTOEWGJ-ZDUSSCGKSA-N 1 0 267.376 3.054 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]C[C@@H]1C[C@H]1C1CCOCC1 ZINC000865784593 632889793 /nfs/dbraw/zinc/88/97/93/632889793.db2.gz FWFCUFVQDSIHFE-STQMWFEESA-N 1 0 295.810 3.198 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H]2C[C@]2(F)c2ccccc2)c1 ZINC000822497827 632948998 /nfs/dbraw/zinc/94/89/98/632948998.db2.gz MCHHHNFRGWZJKQ-SJORKVTESA-N 1 0 287.334 3.128 20 10 CGCDRO CN1C[C@@H]2CCC[N@H+](Cc3ccc4ccccc4c3O)[C@@H]2C1 ZINC000822521130 632958995 /nfs/dbraw/zinc/95/89/95/632958995.db2.gz XAKFIVVCNWCTIG-MAUKXSAKSA-N 1 0 296.414 3.071 20 10 CGCDRO CC(C)CO[C@@H]1CC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000120890851 632997509 /nfs/dbraw/zinc/99/75/09/632997509.db2.gz WRELWQNSBZUSGF-QGZVFWFLSA-N 1 0 289.419 3.128 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCCC23CC3)c1O ZINC000866411102 633126055 /nfs/dbraw/zinc/12/60/55/633126055.db2.gz COAPHMZALWTKEV-BXUZGUMPSA-N 1 0 261.365 3.384 20 10 CGCDRO C[C@H]([NH2+]CC(C)(C)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000866408395 633126289 /nfs/dbraw/zinc/12/62/89/633126289.db2.gz LHALCVVFQAOGNI-LBPRGKRZSA-N 1 0 298.377 3.061 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]C[C@H]1CCC13CCOCC3)CC2 ZINC000866529416 633173929 /nfs/dbraw/zinc/17/39/29/633173929.db2.gz GFKOXVOWWYCHIO-HUUCEWRRSA-N 1 0 287.403 3.176 20 10 CGCDRO OC[C@H]1CC[C@@H]([NH2+]Cc2ccc3ccccc3c2O)CC1 ZINC000824006495 633180220 /nfs/dbraw/zinc/18/02/20/633180220.db2.gz GAPRELCMOJEBHT-AKAXFMLLSA-N 1 0 285.387 3.186 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@H]2C2CCOCC2)c(O)c1 ZINC000866537827 633181427 /nfs/dbraw/zinc/18/14/27/633181427.db2.gz JQVVHRSTLAFCEC-QRTARXTBSA-N 1 0 289.419 3.414 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2C[C@H](C)CC[C@@H]2C)c(O)c1 ZINC000824320970 633229319 /nfs/dbraw/zinc/22/93/19/633229319.db2.gz NEEJWAOCMAUUCT-TYNCELHUSA-N 1 0 263.381 3.315 20 10 CGCDRO Cc1cccc(C[NH2+]C[C@H]2CCO[C@@H](C(C)C)C2)c1O ZINC000824800543 633293229 /nfs/dbraw/zinc/29/32/29/633293229.db2.gz ZVSVOCUEFSWFCH-GOEBONIOSA-N 1 0 277.408 3.241 20 10 CGCDRO Cc1cc(O)c(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1Cl ZINC000824855940 633301199 /nfs/dbraw/zinc/30/11/99/633301199.db2.gz SGMXKTMFMUAWAS-KGLIPLIRSA-N 1 0 294.826 3.023 20 10 CGCDRO CCOc1ccc(C[NH2+]C(C)(C)C2CCC2)c(O)c1 ZINC000824878253 633303143 /nfs/dbraw/zinc/30/31/43/633303143.db2.gz LZDCQERMMGMXRB-UHFFFAOYSA-N 1 0 263.381 3.459 20 10 CGCDRO Cc1ccncc1C[NH2+]Cc1cc(C)c(C)cc1O ZINC000824910769 633305438 /nfs/dbraw/zinc/30/54/38/633305438.db2.gz ZOHZDUARPJYKIX-UHFFFAOYSA-N 1 0 256.349 3.002 20 10 CGCDRO C[C@@]1(CC[NH2+]Cc2ccccc2O)CC1(Cl)Cl ZINC000824971149 633312061 /nfs/dbraw/zinc/31/20/61/633312061.db2.gz POEUBZSEQPKXMK-GFCCVEGCSA-N 1 0 274.191 3.456 20 10 CGCDRO CC[C@H]([NH2+][C@H]1C[C@@H](C)n2ccnc21)c1ccccc1O ZINC000825016357 633317671 /nfs/dbraw/zinc/31/76/71/633317671.db2.gz BPXOVINWSMWQAO-XBFCOCLRSA-N 1 0 271.364 3.335 20 10 CGCDRO C[C@@H]([NH2+]C1CC=CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000122123964 633319212 /nfs/dbraw/zinc/31/92/12/633319212.db2.gz HKKXDSIRZZIFBW-CYBMUJFWSA-N 1 0 290.382 3.032 20 10 CGCDRO CCCc1ncc(C[NH2+]Cc2ccc(OCC)cc2O)o1 ZINC000825085108 633326920 /nfs/dbraw/zinc/32/69/20/633326920.db2.gz JDYLVOJIKAZBNZ-UHFFFAOYSA-N 1 0 290.363 3.021 20 10 CGCDRO CC1(C)C[C@@H](O)CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000825091410 633327541 /nfs/dbraw/zinc/32/75/41/633327541.db2.gz ZKJXLCZSIOGOTP-ZDUSSCGKSA-N 1 0 283.799 3.029 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CC[C@H]2CCCO2)cc1Cl ZINC000825097387 633327851 /nfs/dbraw/zinc/32/78/51/633327851.db2.gz SGOFVNANCNAOIY-GFCCVEGCSA-N 1 0 269.772 3.013 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]Cc2cnc(C)cc2C)c1 ZINC000825221600 633336616 /nfs/dbraw/zinc/33/66/16/633336616.db2.gz SRKIVLLOPUMYAF-UHFFFAOYSA-N 1 0 286.375 3.093 20 10 CGCDRO CCO[C@@H]1CCC[C@H]1[NH2+][C@@H](CC)c1ccccc1O ZINC000825290103 633342100 /nfs/dbraw/zinc/34/21/00/633342100.db2.gz OOOFFWZATBRREC-SQWLQELKSA-N 1 0 263.381 3.391 20 10 CGCDRO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(OC)c(C)c1 ZINC000825284291 633342716 /nfs/dbraw/zinc/34/27/16/633342716.db2.gz KBZQFOXCSGVSHK-GDBMZVCRSA-N 1 0 263.381 3.051 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C2(C)CCOCC2)cc1Cl ZINC000825370677 633350266 /nfs/dbraw/zinc/35/02/66/633350266.db2.gz OXWBWZSHLXTZSD-UHFFFAOYSA-N 1 0 269.772 3.013 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCO[C@H](C)C2)cc1Cl ZINC000825380279 633350984 /nfs/dbraw/zinc/35/09/84/633350984.db2.gz ZRROKCWPSWAINR-ZYHUDNBSSA-N 1 0 269.772 3.011 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@]2(C)CCO[C@@H]2C)cc1Cl ZINC000825494400 633357707 /nfs/dbraw/zinc/35/77/07/633357707.db2.gz KZGYYBYKCJZOMT-YGRLFVJLSA-N 1 0 269.772 3.011 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C2(CCO)CCCC2)cc1Cl ZINC000825883600 633385826 /nfs/dbraw/zinc/38/58/26/633385826.db2.gz YMTGHCWSUZYCSH-UHFFFAOYSA-N 1 0 283.799 3.139 20 10 CGCDRO COCC1([NH2+]Cc2cc(Cl)cc(C)c2O)CCCC1 ZINC000826833801 633436630 /nfs/dbraw/zinc/43/66/30/633436630.db2.gz IGTVUKUFVAZOEQ-UHFFFAOYSA-N 1 0 283.799 3.403 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2COC3(CCC3)C2)cc1Cl ZINC000827125052 633461447 /nfs/dbraw/zinc/46/14/47/633461447.db2.gz HAKDNTOIWAFWTG-LBPRGKRZSA-N 1 0 281.783 3.155 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCC[C@@H](C)O2)cc1Cl ZINC000827252045 633474965 /nfs/dbraw/zinc/47/49/65/633474965.db2.gz URKULTGOJJRORC-YPMHNXCESA-N 1 0 283.799 3.401 20 10 CGCDRO Cc1cc(CN2CCO[C@@H](C)C2)ccc1N1CCCCC1 ZINC000827288502 633478484 /nfs/dbraw/zinc/47/84/84/633478484.db2.gz YDIIOYPAPBZLMS-INIZCTEOSA-N 1 0 288.435 3.206 20 10 CGCDRO Oc1c(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)ccc2ccccc21 ZINC000827481504 633493689 /nfs/dbraw/zinc/49/36/89/633493689.db2.gz OPJVTZCBKMMCBJ-MUJYYYPQSA-N 1 0 253.345 3.434 20 10 CGCDRO CCc1cccc(C[NH2+][C@H](c2ccccc2)[C@H](C)O)c1O ZINC000827856090 633525230 /nfs/dbraw/zinc/52/52/30/633525230.db2.gz LMWNBNXIBYQDCM-GUYCJALGSA-N 1 0 285.387 3.166 20 10 CGCDRO CC(=O)c1cc(F)cc(C[N@H+]2[C@H](C)CC[C@@H]2C)c1O ZINC000123407795 633672168 /nfs/dbraw/zinc/67/21/68/633672168.db2.gz HUTDJKOSUKUDFZ-AOOOYVTPSA-N 1 0 265.328 3.107 20 10 CGCDRO COC[C@@H](CC(C)C)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000845972139 636126400 /nfs/dbraw/zinc/12/64/00/636126400.db2.gz PEIVBBVOMQMTNR-QWHCGFSZSA-N 1 0 281.396 3.113 20 10 CGCDRO C[C@](O)(C[NH2+]Cc1cc(Cl)ccc1O)c1ccsc1 ZINC000124138508 634167492 /nfs/dbraw/zinc/16/74/92/634167492.db2.gz YSYWTEHPKJXTEH-AWEZNQCLSA-N 1 0 297.807 3.104 20 10 CGCDRO CCC(C)(C)[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000834530516 634176729 /nfs/dbraw/zinc/17/67/29/634176729.db2.gz HNECBLHHNTXWSV-OAHLLOKOSA-N 1 0 290.451 3.438 20 10 CGCDRO C[C@H](COc1ccccc1)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834542978 634178777 /nfs/dbraw/zinc/17/87/77/634178777.db2.gz BIMVSUACTVIFBR-CZUORRHYSA-N 1 0 283.371 3.437 20 10 CGCDRO CO[C@@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)cc2C)C12CCC2 ZINC000834590157 634193195 /nfs/dbraw/zinc/19/31/95/634193195.db2.gz RSVPYBBAOXWWMF-DLBZAZTESA-N 1 0 288.435 3.108 20 10 CGCDRO CC(C)CC[C@](C)(O)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834599421 634195565 /nfs/dbraw/zinc/19/55/65/634195565.db2.gz YNAPPEYOXVCOFF-YOEHRIQHSA-N 1 0 277.408 3.156 20 10 CGCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H]3CSC[C@H]3C1)CCC2 ZINC000872722111 634196037 /nfs/dbraw/zinc/19/60/37/634196037.db2.gz NRRWUJPOLHFDRJ-GOEBONIOSA-N 1 0 289.444 3.066 20 10 CGCDRO Cc1ccncc1[C@H](C)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834629750 634202342 /nfs/dbraw/zinc/20/23/42/634202342.db2.gz OQKNDVXLIZLJMB-SWLSCSKDSA-N 1 0 268.360 3.434 20 10 CGCDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@@H]2CCc3cccc(O)c32)C1(C)C ZINC000834701827 634223582 /nfs/dbraw/zinc/22/35/82/634223582.db2.gz HJGVCZBCXLWGLX-QTDMDRALSA-N 1 0 275.392 3.029 20 10 CGCDRO CCCOc1ccc(C[NH2+]Cc2ccn(C)c2)cc1C ZINC000873069169 634240934 /nfs/dbraw/zinc/24/09/34/634240934.db2.gz HYJWJQZOSMIFGS-UHFFFAOYSA-N 1 0 272.392 3.412 20 10 CGCDRO CCCN(CC)C[C@@H](C)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834807928 634245613 /nfs/dbraw/zinc/24/56/13/634245613.db2.gz UXPKNZVWGMAALX-UKRRQHHQSA-N 1 0 276.424 3.090 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@H](C)C[C@H](C)O)cc1C ZINC000873103070 634246511 /nfs/dbraw/zinc/24/65/11/634246511.db2.gz WRHGTTFHXILCAT-KGLIPLIRSA-N 1 0 265.397 3.033 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@@H]2CCOC[C@H]2C)cc1C ZINC000873114685 634249270 /nfs/dbraw/zinc/24/92/70/634249270.db2.gz QAOACJIPJOQUHA-GDBMZVCRSA-N 1 0 277.408 3.298 20 10 CGCDRO C[C@@H](CCO)CC[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000834830252 634250763 /nfs/dbraw/zinc/25/07/63/634250763.db2.gz BCMZBCCURQYGSV-KGLIPLIRSA-N 1 0 291.435 3.330 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000873157503 634265374 /nfs/dbraw/zinc/26/53/74/634265374.db2.gz ZXYHFMDTUUZVJG-VZJVUDMVSA-N 1 0 281.783 3.093 20 10 CGCDRO CO[C@@H]1CCC[C@H]1[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000834886096 634267641 /nfs/dbraw/zinc/26/76/41/634267641.db2.gz HIXMRMOWRDLDER-WSXWTOPLSA-N 1 0 279.355 3.237 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]CC2(OC(C)C)CCC2)c1 ZINC000873167370 634269300 /nfs/dbraw/zinc/26/93/00/634269300.db2.gz UIJVPRQNZHJMHL-UHFFFAOYSA-N 1 0 263.381 3.138 20 10 CGCDRO CC1(C)CCc2onc(CNCc3ccccc3O)c2C1 ZINC000873174993 634271056 /nfs/dbraw/zinc/27/10/56/634271056.db2.gz CUUQAYYBGLDITQ-UHFFFAOYSA-N 1 0 286.375 3.185 20 10 CGCDRO CCn1ccnc1[C@@H](C)[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000834896108 634272859 /nfs/dbraw/zinc/27/28/59/634272859.db2.gz UQCLXWGABYYASF-QWHCGFSZSA-N 1 0 273.380 3.329 20 10 CGCDRO Cc1nccnc1[C@H](C)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000873187226 634276765 /nfs/dbraw/zinc/27/67/65/634276765.db2.gz OFCPFHMQUIFTBO-GJBLVYBDSA-N 1 0 296.418 3.215 20 10 CGCDRO C[C@H]([NH2+]C[C@@H](O)C1CCC1)c1cc2c(cc1O)CCCC2 ZINC000834905357 634281625 /nfs/dbraw/zinc/28/16/25/634281625.db2.gz GLDDDUKWYZRBOJ-KPZWWZAWSA-N 1 0 289.419 3.083 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H]1CCC[C@H]1O)c1cc(Cl)ccc1O ZINC000834906414 634281979 /nfs/dbraw/zinc/28/19/79/634281979.db2.gz QGWDVXMBGXEYHV-LEWSCRJBSA-N 1 0 283.799 3.247 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1)c1ccccc1O ZINC000834905911 634282216 /nfs/dbraw/zinc/28/22/16/634282216.db2.gz WWINUHHXAJVTNV-HBUWYVDXSA-N 1 0 298.386 3.358 20 10 CGCDRO CC[C@@H]([NH2+]CCc1cnc(C)cn1)c1ccc(N(C)C)cc1 ZINC000834908391 634283010 /nfs/dbraw/zinc/28/30/10/634283010.db2.gz JPNJMUFKYLKDKY-GOSISDBHSA-N 1 0 298.434 3.134 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1CCOC(C)(C)C1)c1cc(F)ccc1O ZINC000834912930 634285461 /nfs/dbraw/zinc/28/54/61/634285461.db2.gz YGXJLWDCOCJYNC-NEPJUHHUSA-N 1 0 281.371 3.387 20 10 CGCDRO C[C@H](C1CC1)[N@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835025789 634323885 /nfs/dbraw/zinc/32/38/85/634323885.db2.gz NJHFBHGMMJCJPI-VBROQKIQSA-N 1 0 258.409 3.496 20 10 CGCDRO CN(C)c1ccc(/C=C/C[N@H+](C)C[C@H]2CCCOC2)cc1 ZINC000835029683 634325464 /nfs/dbraw/zinc/32/54/64/634325464.db2.gz YUGKYUSQLJCBLW-UKINESCASA-N 1 0 288.435 3.124 20 10 CGCDRO Cc1nn(C)cc1[C@H](C)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835036654 634328184 /nfs/dbraw/zinc/32/81/84/634328184.db2.gz DQMBXKMMSVOWII-AFNCTOJWSA-N 1 0 298.434 3.159 20 10 CGCDRO Cc1occc1C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835036980 634328254 /nfs/dbraw/zinc/32/82/54/634328254.db2.gz STGOFBIARNEZSZ-PLNGDYQASA-N 1 0 270.376 3.457 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+]CCc2ccc(O)cc2)cc1 ZINC000835038290 634328839 /nfs/dbraw/zinc/32/88/39/634328839.db2.gz VDUGRZQACLYGLG-ARJAWSKDSA-N 1 0 296.414 3.304 20 10 CGCDRO C[C@@H]1C[C@@H](C[NH2+]C/C=C\c2ccc(N(C)C)cc2)CCO1 ZINC000835041789 634329541 /nfs/dbraw/zinc/32/95/41/634329541.db2.gz ASODDFZPSUHMIG-BUZJKLBMSA-N 1 0 288.435 3.171 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+]CCCC(C)(C)CO)cc1 ZINC000835039329 634329770 /nfs/dbraw/zinc/32/97/70/634329770.db2.gz DGLHGTPBNCYETL-ALCCZGGFSA-N 1 0 290.451 3.154 20 10 CGCDRO CS[C@H](C)C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835042408 634330312 /nfs/dbraw/zinc/33/03/12/634330312.db2.gz VFIBUMQOOWMHNL-CFHLNLSMSA-N 1 0 264.438 3.107 20 10 CGCDRO C[C@@H]1COCC[C@H]1C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835054851 634339416 /nfs/dbraw/zinc/33/94/16/634339416.db2.gz ZPXPDBHJSXWTSN-LUJIMGINSA-N 1 0 288.435 3.028 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@@H]2C[C@H]2C2CC2)cc1 ZINC000835055051 634339848 /nfs/dbraw/zinc/33/98/48/634339848.db2.gz PLHAOPRNFKQKNH-YPZLONQISA-N 1 0 270.420 3.402 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CCC2CC(F)(F)C2)cc1F ZINC000835059836 634342226 /nfs/dbraw/zinc/34/22/26/634342226.db2.gz FAIYVZMHADZOSU-UHFFFAOYSA-N 1 0 286.341 3.417 20 10 CGCDRO Cc1cccc(O)c1C[NH+]1C[C@@H](C)S[C@H](C)C1 ZINC000876643330 634874928 /nfs/dbraw/zinc/87/49/28/634874928.db2.gz XDVCFUHJJCNDGT-VXGBXAGGSA-N 1 0 251.395 3.026 20 10 CGCDRO CCC[N@H+](Cc1ccns1)Cc1ccccc1O ZINC000876655283 634875221 /nfs/dbraw/zinc/87/52/21/634875221.db2.gz YPAMMMIYTCPUID-UHFFFAOYSA-N 1 0 262.378 3.261 20 10 CGCDRO Cc1ccc(C[N@@H+]2CC[C@H](c3ccco3)C2)c(O)c1 ZINC000876723962 634886429 /nfs/dbraw/zinc/88/64/29/634886429.db2.gz JQULGGPPNXZAIH-AWEZNQCLSA-N 1 0 257.333 3.283 20 10 CGCDRO CO[C@H](C[NH2+]Cc1c(C)cccc1O)c1ccccc1 ZINC000876959001 634937923 /nfs/dbraw/zinc/93/79/23/634937923.db2.gz NPXHXKHJFWXTJQ-QGZVFWFLSA-N 1 0 271.360 3.178 20 10 CGCDRO Cn1c(C[NH2+]Cc2ccc3c(c2)CCO3)cc2ccccc21 ZINC000876995327 634946363 /nfs/dbraw/zinc/94/63/63/634946363.db2.gz DIPBPNUMTWUHDU-UHFFFAOYSA-N 1 0 292.382 3.403 20 10 CGCDRO COc1ccc(CC[NH2+]Cc2ccc(C)cc2O)cc1F ZINC000877006741 634947645 /nfs/dbraw/zinc/94/76/45/634947645.db2.gz PDYOQWVWVRKQOF-UHFFFAOYSA-N 1 0 289.350 3.181 20 10 CGCDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(C)cc2O)C12CCC2 ZINC000877044294 634961529 /nfs/dbraw/zinc/96/15/29/634961529.db2.gz XKDANMRYBLDSEB-CVEARBPZSA-N 1 0 275.392 3.138 20 10 CGCDRO Cc1cccc(O)c1C[NH2+][C@H](CCCO)c1ccccc1 ZINC000877056994 634965681 /nfs/dbraw/zinc/96/56/81/634965681.db2.gz ZEEPQAWEGCJHKG-QGZVFWFLSA-N 1 0 285.387 3.304 20 10 CGCDRO CCSCC[C@@H](C)[NH2+]Cc1ccc(C)cc1O ZINC000877062599 634967685 /nfs/dbraw/zinc/96/76/85/634967685.db2.gz AHQMEZCIHHFBBN-GFCCVEGCSA-N 1 0 253.411 3.322 20 10 CGCDRO CO[C@H](C[NH2+]CCCSc1nccs1)CC(C)C ZINC000877061510 634967837 /nfs/dbraw/zinc/96/78/37/634967837.db2.gz JORQDAAQACUOFI-LBPRGKRZSA-N 1 0 288.482 3.276 20 10 CGCDRO Cc1nc(C[NH2+]Cc2ccc(C)cc2O)sc1C ZINC000877065141 634968876 /nfs/dbraw/zinc/96/88/76/634968876.db2.gz ZHELQEWTKYBVNF-UHFFFAOYSA-N 1 0 262.378 3.064 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(C)cc1O)c1c(C)nn(C)c1C ZINC000877071580 634971941 /nfs/dbraw/zinc/97/19/41/634971941.db2.gz ANKFYBSRQHKBGB-HNNXBMFYSA-N 1 0 287.407 3.292 20 10 CGCDRO COc1cc(C)ccc1C[NH2+]Cc1ccc(C)cc1O ZINC000877094585 634983592 /nfs/dbraw/zinc/98/35/92/634983592.db2.gz KMLPCQMBLOLCAK-UHFFFAOYSA-N 1 0 271.360 3.307 20 10 CGCDRO Cc1ccc(C[N@@H+](C)[C@H](C)c2ccccn2)c(O)c1 ZINC000877170585 635006146 /nfs/dbraw/zinc/00/61/46/635006146.db2.gz QQIRBNNPHHOGPD-CYBMUJFWSA-N 1 0 256.349 3.289 20 10 CGCDRO Cc1ccc(C[NH+]2CCC(c3nccc(C)n3)CC2)c(O)c1 ZINC000877331536 635027964 /nfs/dbraw/zinc/02/79/64/635027964.db2.gz QZWBIGQTBHPEKX-UHFFFAOYSA-N 1 0 297.402 3.179 20 10 CGCDRO COc1ccc(F)cc1C[NH2+]Cc1c(C)cccc1O ZINC000877425704 635039547 /nfs/dbraw/zinc/03/95/47/635039547.db2.gz DXTJUWKNJGRMNJ-UHFFFAOYSA-N 1 0 275.323 3.138 20 10 CGCDRO CCSc1cc(C[NH2+]Cc2ccc(C)cc2O)ccn1 ZINC000877439032 635041274 /nfs/dbraw/zinc/04/12/74/635041274.db2.gz RLAYAEQCWDYPGW-UHFFFAOYSA-N 1 0 288.416 3.497 20 10 CGCDRO Cc1ccc(C[NH+]2CCC([C@H]3CCCO3)CC2)c(O)c1 ZINC000877464260 635047492 /nfs/dbraw/zinc/04/74/92/635047492.db2.gz NTNALWNLARYPKD-QGZVFWFLSA-N 1 0 275.392 3.092 20 10 CGCDRO CCn1ccc(C[N@H+](C)Cc2ccc(C)cc2O)c1 ZINC000877472067 635050351 /nfs/dbraw/zinc/05/03/51/635050351.db2.gz IXFUUKQVUJDQRR-UHFFFAOYSA-N 1 0 258.365 3.154 20 10 CGCDRO CCCN(Cc1cc(C2CC2)no1)c1ccc(C[NH3+])cc1 ZINC000877478550 635052108 /nfs/dbraw/zinc/05/21/08/635052108.db2.gz NXCBONRGAHSNSY-UHFFFAOYSA-N 1 0 285.391 3.427 20 10 CGCDRO Cc1ccc(C[N@H+]2CCCC[C@@H]2c2ccnn2C)c(O)c1 ZINC000877497444 635061472 /nfs/dbraw/zinc/06/14/72/635061472.db2.gz QDOCSVFMKPMOOA-MRXNPFEDSA-N 1 0 285.391 3.161 20 10 CGCDRO CCc1ncc(C[NH2+]Cc2ccc(N(CC)CC)cc2)cn1 ZINC000840879020 635072583 /nfs/dbraw/zinc/07/25/83/635072583.db2.gz BHRWTKBMVJWSCW-UHFFFAOYSA-N 1 0 298.434 3.175 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000840894651 635077441 /nfs/dbraw/zinc/07/74/41/635077441.db2.gz RURZHZOYXJBBCO-ZOBUZTSGSA-N 1 0 290.451 3.149 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H]1CC[C@@H]1C ZINC000840895499 635078214 /nfs/dbraw/zinc/07/82/14/635078214.db2.gz YWOAXFXFZLRQCB-RVSPLBMKSA-N 1 0 260.425 3.380 20 10 CGCDRO Cc1cccc(O)c1C[NH+]1CC(c2ccccc2F)C1 ZINC000877544580 635082186 /nfs/dbraw/zinc/08/21/86/635082186.db2.gz RKDVLGAKCUZFQW-UHFFFAOYSA-N 1 0 271.335 3.439 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCCOCC(C)C ZINC000840928168 635084132 /nfs/dbraw/zinc/08/41/32/635084132.db2.gz LNGRYMXKCLIWOZ-UHFFFAOYSA-N 1 0 278.440 3.213 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCC(F)(F)C1 ZINC000840936941 635085802 /nfs/dbraw/zinc/08/58/02/635085802.db2.gz OADGBVONDLTDDB-ZDUSSCGKSA-N 1 0 268.351 3.338 20 10 CGCDRO CO[C@@]1(C)CCC[N@H+](Cc2ccc(N(C)C)cc2C)CC1 ZINC000840940796 635088671 /nfs/dbraw/zinc/08/86/71/635088671.db2.gz GAVNBAYQHBCIPI-SFHVURJKSA-N 1 0 290.451 3.452 20 10 CGCDRO CO[C@@H](C[NH2+]Cc1ccc(C)cc1O)Cc1ccccc1 ZINC000877558217 635089592 /nfs/dbraw/zinc/08/95/92/635089592.db2.gz AIZQLGDVOSLHOA-QGZVFWFLSA-N 1 0 285.387 3.048 20 10 CGCDRO Cc1ccc(C[NH2+]C[C@@H]2CCOC3(CCC3)C2)c(O)c1 ZINC000877564777 635093290 /nfs/dbraw/zinc/09/32/90/635093290.db2.gz LFPWJVJICZCHBV-CQSZACIVSA-N 1 0 275.392 3.140 20 10 CGCDRO CCOCc1cc(C[NH2+][C@H]2CS[C@H](C)C2)ccc1OC ZINC000840959649 635094272 /nfs/dbraw/zinc/09/42/72/635094272.db2.gz XXVXOSXKNDZWSC-IUODEOHRSA-N 1 0 295.448 3.215 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2C[C@@H](O)C[C@H]2c2ccccc2)c1 ZINC000840959612 635094338 /nfs/dbraw/zinc/09/43/38/635094338.db2.gz YYKSOMCEGIZBEH-IRXDYDNUSA-N 1 0 283.371 3.009 20 10 CGCDRO CC[C@H]([NH2+]C/C=C/c1ccc(N(C)C)cc1)[C@@H](O)C(C)C ZINC000840968041 635096397 /nfs/dbraw/zinc/09/63/97/635096397.db2.gz NDSKBNGEBUNTOT-VUOWKATKSA-N 1 0 290.451 3.151 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1cccnc1C ZINC000840975006 635097854 /nfs/dbraw/zinc/09/78/54/635097854.db2.gz BDKUNIJRAHABKH-OAHLLOKOSA-N 1 0 297.446 3.485 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000877575487 635099055 /nfs/dbraw/zinc/09/90/55/635099055.db2.gz WHEBJKXTFSAHKF-INIZCTEOSA-N 1 0 277.433 3.420 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]CC[C@H]1CCOC1 ZINC000840977914 635099113 /nfs/dbraw/zinc/09/91/13/635099113.db2.gz YFHFVLJMLYLXQC-CVEARBPZSA-N 1 0 290.451 3.008 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCC[C@]3(CCSC3)C2)c(O)c1 ZINC000877575191 635099100 /nfs/dbraw/zinc/09/91/00/635099100.db2.gz JZOIFHPOXUDROO-INIZCTEOSA-N 1 0 277.433 3.420 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000877604956 635108423 /nfs/dbraw/zinc/10/84/23/635108423.db2.gz SNWZNXTYUANEHG-OAHLLOKOSA-N 1 0 268.360 3.085 20 10 CGCDRO COc1ccc(CC[C@@H](C)[NH2+]CCc2ccc(N)cc2)cc1 ZINC000841033984 635110080 /nfs/dbraw/zinc/11/00/80/635110080.db2.gz DRBBREPKZZDZDP-OAHLLOKOSA-N 1 0 298.430 3.431 20 10 CGCDRO Cc1cccc(C)c1C[NH2+]CCc1ccc(N)cc1 ZINC000841036951 635110972 /nfs/dbraw/zinc/11/09/72/635110972.db2.gz XFTXVCQEZVLYNN-UHFFFAOYSA-N 1 0 254.377 3.218 20 10 CGCDRO C[C@@H](C[NH2+]CCc1ccc(N)cc1)Cc1ccccc1 ZINC000841036973 635111165 /nfs/dbraw/zinc/11/11/65/635111165.db2.gz XKFKKTTVOGHJIR-OAHLLOKOSA-N 1 0 268.404 3.280 20 10 CGCDRO C[C@H](C[NH2+]CCc1ccc(N)cc1)c1ccc(F)cc1 ZINC000841038744 635112056 /nfs/dbraw/zinc/11/20/56/635112056.db2.gz PGHODTOMRGTRHO-CYBMUJFWSA-N 1 0 272.367 3.344 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc(C)cc1O)[C@H]1CCCCO1 ZINC000877619350 635115820 /nfs/dbraw/zinc/11/58/20/635115820.db2.gz WWBMNNFGNYZUKT-GDBMZVCRSA-N 1 0 263.381 3.138 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)c(O)c1 ZINC000877633832 635123789 /nfs/dbraw/zinc/12/37/89/635123789.db2.gz RZBXVJUYQNJGAH-WMZOPIPTSA-N 1 0 289.419 3.482 20 10 CGCDRO Cc1ccc(C[NH2+][C@H](C2CCC2)[C@@H]2CCCO2)c(O)c1 ZINC000877701311 635152593 /nfs/dbraw/zinc/15/25/93/635152593.db2.gz QGTCRNUVGJZKIU-DLBZAZTESA-N 1 0 275.392 3.138 20 10 CGCDRO Cc1c(F)nccc1C[NH2+][C@H](C)c1ccccc1O ZINC000877755527 635184486 /nfs/dbraw/zinc/18/44/86/635184486.db2.gz DHXFAFZWAVTPAX-LLVKDONJSA-N 1 0 260.312 3.086 20 10 CGCDRO CCOC(=O)CC(C)(C)C[NH2+][C@@H](C)c1ccccc1O ZINC000877757974 635186966 /nfs/dbraw/zinc/18/69/66/635186966.db2.gz BDBLUAZAIZYSTD-LBPRGKRZSA-N 1 0 279.380 3.022 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)C1CC(F)(F)C1 ZINC000877758394 635187704 /nfs/dbraw/zinc/18/77/04/635187704.db2.gz XWTBZGRLVPFKNO-ZJUUUORDSA-N 1 0 255.308 3.477 20 10 CGCDRO COc1cc(C[NH2+][C@H](C)c2ccc(Cl)cc2O)ccn1 ZINC000841746155 635221557 /nfs/dbraw/zinc/22/15/57/635221557.db2.gz VRYNVOJVLNXQFC-SNVBAGLBSA-N 1 0 292.766 3.300 20 10 CGCDRO CCN(CC)CC[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841745317 635222282 /nfs/dbraw/zinc/22/22/82/635222282.db2.gz XMLWFBBVTFCPQR-NSHDSACASA-N 1 0 270.804 3.038 20 10 CGCDRO C[C@H]([NH2+][C@H](CO)CC(C)(C)C)c1ccc(Cl)cc1O ZINC000841752256 635225449 /nfs/dbraw/zinc/22/54/49/635225449.db2.gz RUYBNEQPWKMEON-JQWIXIFHSA-N 1 0 285.815 3.493 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+][C@H]1COCc3ccccc31)CC2 ZINC000841755604 635230184 /nfs/dbraw/zinc/23/01/84/635230184.db2.gz KCQZKNCQFXDMAW-HOTGVXAUSA-N 1 0 281.355 3.241 20 10 CGCDRO Cc1cccc(C[NH2+]CC[C@@H]2COc3ccccc3O2)c1O ZINC000841888734 635247426 /nfs/dbraw/zinc/24/74/26/635247426.db2.gz OYDLBMGUHAWUFP-OAHLLOKOSA-N 1 0 299.370 3.020 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccc(Cl)nc2)cc1 ZINC000126950798 635393669 /nfs/dbraw/zinc/39/36/69/635393669.db2.gz DVZWCMLEXKNRCX-UHFFFAOYSA-N 1 0 289.810 3.433 20 10 CGCDRO COc1cc(O)c(C[N@H+](C)CCC(C)(C)C)cc1OC ZINC000842630663 635423852 /nfs/dbraw/zinc/42/38/52/635423852.db2.gz HFNABHWVUDHQQK-UHFFFAOYSA-N 1 0 281.396 3.277 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+]Cc2ccc(CO)cc2)cc1 ZINC000842732397 635453545 /nfs/dbraw/zinc/45/35/45/635453545.db2.gz KWKKBPPKMQIDKL-ONEGZZNKSA-N 1 0 296.414 3.048 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2ccc(CO)cc2)c(O)c1 ZINC000842895896 635508026 /nfs/dbraw/zinc/50/80/26/635508026.db2.gz QKPCXPDZHIDHMY-AWEZNQCLSA-N 1 0 285.387 3.352 20 10 CGCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1cc(F)ccc1F ZINC000843057906 635553146 /nfs/dbraw/zinc/55/31/46/635553146.db2.gz XRXPFAMEXFRION-UHFFFAOYSA-N 1 0 288.341 3.376 20 10 CGCDRO COCc1cccc(CN2CCCc3cc(C[NH3+])ccc32)c1 ZINC000843058154 635553766 /nfs/dbraw/zinc/55/37/66/635553766.db2.gz MPPGSDSNNVMEHU-UHFFFAOYSA-N 1 0 296.414 3.245 20 10 CGCDRO C[C@@]1(C[N@H+](Cc2ccccc2O)C2CCCC2)CC[NH2+]C1 ZINC000843064874 635554968 /nfs/dbraw/zinc/55/49/68/635554968.db2.gz ZPTPJXJNXROANO-GOSISDBHSA-N 1 0 288.435 3.136 20 10 CGCDRO COc1ccc(N(Cc2cccs2)C[C@@H](C)[NH3+])cc1 ZINC000843356704 635652356 /nfs/dbraw/zinc/65/23/56/635652356.db2.gz WLOZLBSLCBZDBH-GFCCVEGCSA-N 1 0 276.405 3.111 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H](C)CC(F)F ZINC000843418979 635663307 /nfs/dbraw/zinc/66/33/07/635663307.db2.gz NFIAKQGTMOFWJM-NSHDSACASA-N 1 0 270.367 3.442 20 10 CGCDRO C[C@H]([NH2+]CC[C@H](O)c1ccccc1)c1ccccc1O ZINC000879649668 635826657 /nfs/dbraw/zinc/82/66/57/635826657.db2.gz BMIKJMVAHMZJGX-BBRMVZONSA-N 1 0 271.360 3.167 20 10 CGCDRO Cc1cccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2O)c1 ZINC000879649344 635826914 /nfs/dbraw/zinc/82/69/14/635826914.db2.gz QQSYMWWLKDJAHI-ZIAGYGMSSA-N 1 0 298.386 3.378 20 10 CGCDRO Cc1cnn(CCCCC[NH2+][C@@H](C)c2ccccc2O)c1 ZINC000879651473 635828275 /nfs/dbraw/zinc/82/82/75/635828275.db2.gz XDNAYJABLPCEJK-HNNXBMFYSA-N 1 0 287.407 3.418 20 10 CGCDRO Oc1cccc(Cl)c1CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000128314217 635956504 /nfs/dbraw/zinc/95/65/04/635956504.db2.gz VBOSPKJRTDAAOM-WFASDCNBSA-N 1 0 294.826 3.010 20 10 CGCDRO CC(C)O[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000844717656 635956867 /nfs/dbraw/zinc/95/68/67/635956867.db2.gz AJDRAHFDSBHLMA-QGZVFWFLSA-N 1 0 289.419 3.270 20 10 CGCDRO CC[C@@]1(C)CCC[C@H]1[NH2+]Cc1ccc(OC)cc1O ZINC000845966071 636124717 /nfs/dbraw/zinc/12/47/17/636124717.db2.gz FAIBFBXYFMWJHA-CVEARBPZSA-N 1 0 263.381 3.459 20 10 CGCDRO COC[C@H](CC(C)(C)C)[NH2+][C@H](C)c1ccccc1O ZINC000845988869 636127133 /nfs/dbraw/zinc/12/71/33/636127133.db2.gz BOFMJKLQCXEXNF-OLZOCXBDSA-N 1 0 265.397 3.494 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@H](CC)OC[C@@H]2CC)c1 ZINC000846028011 636132333 /nfs/dbraw/zinc/13/23/33/636132333.db2.gz UCMZECVAGSYDIW-GJZGRUSLSA-N 1 0 293.407 3.180 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@H](C2CC2)C2CCOCC2)cc1 ZINC000846043507 636137777 /nfs/dbraw/zinc/13/77/77/636137777.db2.gz KOYOHRBVGCCKLM-GOSISDBHSA-N 1 0 288.435 3.047 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]Cc1cnc(C2CC2)nc1 ZINC000846054800 636138972 /nfs/dbraw/zinc/13/89/72/636138972.db2.gz GHUSBGAAGDTARP-UHFFFAOYSA-N 1 0 289.766 3.003 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)COCC1CC1)c1ccccc1O ZINC000846074088 636142465 /nfs/dbraw/zinc/14/24/65/636142465.db2.gz WMRCNWVIJVSMOO-WFASDCNBSA-N 1 0 263.381 3.248 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@@H](CC(C)C)CN(C)C)c1O ZINC000846144632 636149262 /nfs/dbraw/zinc/14/92/62/636149262.db2.gz JRQJJZFWRSSREW-KBPBESRZSA-N 1 0 294.439 3.028 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]C(C2CC2)C2CC2)c1O ZINC000846141899 636149444 /nfs/dbraw/zinc/14/94/44/636149444.db2.gz BNYONBFWBQFAIW-SNVBAGLBSA-N 1 0 261.365 3.240 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)CC(C)C)c1O ZINC000846158104 636150314 /nfs/dbraw/zinc/15/03/14/636150314.db2.gz SNDBQNSRFUEJLN-NWDGAFQWSA-N 1 0 251.370 3.486 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@H]2CCOC3(CCC3)C2)c1O ZINC000846155800 636150444 /nfs/dbraw/zinc/15/04/44/636150444.db2.gz HWPRWNHALHNPMB-STQMWFEESA-N 1 0 291.391 3.153 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc(Cl)cn2)c1O ZINC000846157524 636150574 /nfs/dbraw/zinc/15/05/74/636150574.db2.gz DJXJAFLJKCCHKU-SNVBAGLBSA-N 1 0 292.766 3.300 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H]2CCCCS2)c1O ZINC000846165543 636151215 /nfs/dbraw/zinc/15/12/15/636151215.db2.gz OLZRCTDVFGNBKF-NEPJUHHUSA-N 1 0 281.421 3.337 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]CC2(OC)CCCCC2)c1O ZINC000846165653 636151265 /nfs/dbraw/zinc/15/12/65/636151265.db2.gz XGUSHIZNDMMRSQ-CYBMUJFWSA-N 1 0 293.407 3.401 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@H]2CCC(C)(C)O2)c1O ZINC000846166438 636151975 /nfs/dbraw/zinc/15/19/75/636151975.db2.gz ZDWATEBLMWSNFO-NWDGAFQWSA-N 1 0 279.380 3.009 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]Cc2cc(C)nc(C)c2)c1O ZINC000846175443 636153736 /nfs/dbraw/zinc/15/37/36/636153736.db2.gz ZHXPNUOIGSUHIG-ZDUSSCGKSA-N 1 0 286.375 3.263 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCc2cccc(O)c21)[C@@](C)(O)c1ccccc1 ZINC000846188383 636156164 /nfs/dbraw/zinc/15/61/64/636156164.db2.gz OCQCYXCPAAYPCQ-IYJAJMOOSA-N 1 0 297.398 3.265 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2OC)c1O ZINC000846203214 636157913 /nfs/dbraw/zinc/15/79/13/636157913.db2.gz RJDKRRHNEGLGPQ-MRVWCRGKSA-N 1 0 279.380 3.009 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc2nonc2c1)c1ccc(N(C)C)cc1 ZINC000846856602 636262228 /nfs/dbraw/zinc/26/22/28/636262228.db2.gz CPAVOVKCXFQQML-LBPRGKRZSA-N 1 0 296.374 3.140 20 10 CGCDRO CC(C)(C)O[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000848567395 636610581 /nfs/dbraw/zinc/61/05/81/636610581.db2.gz UGTNMLAOCPOWOU-SHTZXODSSA-N 1 0 275.392 3.057 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2CCCN3CCCC[C@H]23)cc1C ZINC000848574195 636613074 /nfs/dbraw/zinc/61/30/74/636613074.db2.gz BKXXESHHNHMKOQ-DLBZAZTESA-N 1 0 288.435 3.110 20 10 CGCDRO C[C@H]1C[C@H]([NH2+]CCc2ccns2)c2c1c(F)ccc2O ZINC000883247203 636616146 /nfs/dbraw/zinc/61/61/46/636616146.db2.gz CCNOLWWKQDOJSD-CABZTGNLSA-N 1 0 292.379 3.368 20 10 CGCDRO CCC1(CC)[C@@H]([NH2+]Cc2ccccc2O)C[C@@H]1OC ZINC000131360489 636633670 /nfs/dbraw/zinc/63/36/70/636633670.db2.gz UYLKWVSHMZHWNY-GJZGRUSLSA-N 1 0 263.381 3.076 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCS[C@@H](CC)C2)c1O ZINC000848887431 636674948 /nfs/dbraw/zinc/67/49/48/636674948.db2.gz WIEOVFDWOKWKFR-AWEZNQCLSA-N 1 0 265.422 3.282 20 10 CGCDRO CCc1cccc(C[NH2+]CCc2ccc(OC)cc2)c1O ZINC000848890635 636678186 /nfs/dbraw/zinc/67/81/86/636678186.db2.gz JFKHUTLESDQSLY-UHFFFAOYSA-N 1 0 285.387 3.296 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@H](OC)c2ccccc2)c1O ZINC000848893467 636678868 /nfs/dbraw/zinc/67/88/68/636678868.db2.gz DNOWLXCYIFDDRS-KRWDZBQOSA-N 1 0 285.387 3.432 20 10 CGCDRO CCc1nc(CC[NH2+]Cc2cccc(CC)c2O)cs1 ZINC000848895684 636678907 /nfs/dbraw/zinc/67/89/07/636678907.db2.gz VXCYBJDNDHRYHJ-UHFFFAOYSA-N 1 0 290.432 3.306 20 10 CGCDRO CCc1cccc(C[NH2+]CCNc2ccccc2)c1O ZINC000848897665 636680626 /nfs/dbraw/zinc/68/06/26/636680626.db2.gz LLIXJXMOVDTMLF-UHFFFAOYSA-N 1 0 270.376 3.156 20 10 CGCDRO CCc1cccc(C[NH2+]CC(CC)(CC)C(=O)OC)c1O ZINC000848901066 636681320 /nfs/dbraw/zinc/68/13/20/636681320.db2.gz OGSRIHRIGBFEDZ-UHFFFAOYSA-N 1 0 293.407 3.024 20 10 CGCDRO CCc1cccc(C[NH2+]CC[C@@H]2CCO[C@@H](C)C2)c1O ZINC000848901899 636682807 /nfs/dbraw/zinc/68/28/07/636682807.db2.gz FWETYOAKTXUBRL-UONOGXRCSA-N 1 0 277.408 3.249 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@@]2(C)CCO[C@@H]2C2CC2)c1O ZINC000848903831 636683523 /nfs/dbraw/zinc/68/35/23/636683523.db2.gz ZYVFGSNQJQIOAK-QZTJIDSGSA-N 1 0 289.419 3.249 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCC[C@@]2(C)CCCO)c1O ZINC000848912163 636687678 /nfs/dbraw/zinc/68/76/78/636687678.db2.gz NKGVBHZTIWLFRK-KRWDZBQOSA-N 1 0 277.408 3.082 20 10 CGCDRO CCc1cccc(C[N@@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)c1O ZINC000848914794 636688569 /nfs/dbraw/zinc/68/85/69/636688569.db2.gz SPYHCOVETABACB-QZTJIDSGSA-N 1 0 287.403 3.098 20 10 CGCDRO CCc1cccc(C[N@@H+]2C[C@@H](C)OCC23CCC3)c1O ZINC000848919919 636690857 /nfs/dbraw/zinc/69/08/57/636690857.db2.gz VSPKXVJZOWOJAX-CYBMUJFWSA-N 1 0 275.392 3.098 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)c1O ZINC000848919219 636691089 /nfs/dbraw/zinc/69/10/89/636691089.db2.gz IBJRURLGYXWNEZ-IAGOWNOFSA-N 1 0 289.419 3.346 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]C[C@H]2CCC3(CCC3)O2)c1O ZINC000883357294 636698500 /nfs/dbraw/zinc/69/85/00/636698500.db2.gz ISGCLYNNIJPOQO-CHWSQXEVSA-N 1 0 291.391 3.153 20 10 CGCDRO Cc1cc(Br)cc(C[NH2+]C2CC=CC2)c1O ZINC000133458401 636899303 /nfs/dbraw/zinc/89/93/03/636899303.db2.gz JRMSBLMWQNLNPM-UHFFFAOYSA-N 1 0 282.181 3.271 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C[C@]2(C)CCCS2)cc1F ZINC000133500449 636907133 /nfs/dbraw/zinc/90/71/33/636907133.db2.gz OXWIPXQRVIFSLO-HNNXBMFYSA-N 1 0 282.428 3.267 20 10 CGCDRO Clc1cnc(SCCC[NH+]2CCCC2)s1 ZINC000849999976 636925170 /nfs/dbraw/zinc/92/51/70/636925170.db2.gz FHFDJVYYHJAGCG-UHFFFAOYSA-N 1 0 262.831 3.375 20 10 CGCDRO CCOc1ccc(C[NH2+]C[C@@H](C)c2ccccn2)c(O)c1 ZINC000850341549 637020743 /nfs/dbraw/zinc/02/07/43/637020743.db2.gz KROCXCRLMCZEGS-CYBMUJFWSA-N 1 0 286.375 3.079 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2COC3(CCC3)C2)c(Cl)c1 ZINC000850369664 637032238 /nfs/dbraw/zinc/03/22/38/637032238.db2.gz ILTUXHYPIHSIAU-NSHDSACASA-N 1 0 281.783 3.155 20 10 CGCDRO COc1ccc(C[NH2+]CCCCSC)cc1C ZINC000134866653 637043606 /nfs/dbraw/zinc/04/36/06/637043606.db2.gz ZSFGRIVSJXPNGX-UHFFFAOYSA-N 1 0 253.411 3.236 20 10 CGCDRO CSCC[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000134907671 637049614 /nfs/dbraw/zinc/04/96/14/637049614.db2.gz AOPLELIJBVAWRB-QMMMGPOBSA-N 1 0 290.226 3.168 20 10 CGCDRO CCOc1ccc(C[NH2+]C2(CC(C)C)CC2)c(O)c1 ZINC000850404236 637050560 /nfs/dbraw/zinc/05/05/60/637050560.db2.gz BTGLJDJLRHGHEZ-UHFFFAOYSA-N 1 0 263.381 3.459 20 10 CGCDRO COc1ccc(C[NH2+]CCCc2ccco2)cc1C ZINC000850408022 637051404 /nfs/dbraw/zinc/05/14/04/637051404.db2.gz VLLHNGPSDUKSBQ-UHFFFAOYSA-N 1 0 259.349 3.319 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]CCC2SCCS2)c1 ZINC000850407946 637052057 /nfs/dbraw/zinc/05/20/57/637052057.db2.gz VUSQEPQZVKZXCD-UHFFFAOYSA-N 1 0 299.461 3.077 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)CSCCF ZINC000850435383 637060734 /nfs/dbraw/zinc/06/07/34/637060734.db2.gz MZUWBCDFJWXELU-ZDUSSCGKSA-N 1 0 284.444 3.242 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)CC3CC3)C2)cc1 ZINC000850488161 637087566 /nfs/dbraw/zinc/08/75/66/637087566.db2.gz LNKUUZCBTSMDGM-ZFWWWQNUSA-N 1 0 274.408 3.052 20 10 CGCDRO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850486715 637087910 /nfs/dbraw/zinc/08/79/10/637087910.db2.gz CXHWETZYDAWWHJ-SOUVJXGZSA-N 1 0 276.424 3.298 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+][C@H]3CCC34CCC4)C2)cc1 ZINC000850489180 637089257 /nfs/dbraw/zinc/08/92/57/637089257.db2.gz WFUIEVKSDWSWPT-YOEHRIQHSA-N 1 0 286.419 3.196 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCO[C@@H]2CC2(F)F)cc1 ZINC000850520133 637100258 /nfs/dbraw/zinc/10/02/58/637100258.db2.gz WXHZYDHMSNTNIK-SWLSCSKDSA-N 1 0 298.377 3.218 20 10 CGCDRO C[C@H]([NH2+][C@@H]1COC2(CCC2)C1)c1ccc(Cl)cc1O ZINC000850524415 637103157 /nfs/dbraw/zinc/10/31/57/637103157.db2.gz YDXFQCRRKFKGTM-JQWIXIFHSA-N 1 0 281.783 3.408 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]C[C@@H](CO)CC2CC2)c2c1c(F)ccc2O ZINC000850545728 637116332 /nfs/dbraw/zinc/11/63/32/637116332.db2.gz RRPQDKCRYCOGKJ-OSMZGAPFSA-N 1 0 293.382 3.078 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H](CO)CC2CC2)cc1 ZINC000850546437 637117104 /nfs/dbraw/zinc/11/71/04/637117104.db2.gz ZUTQACFGFFXBGQ-GOEBONIOSA-N 1 0 290.451 3.202 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ncccn1)c1cccc(Cl)c1[O-] ZINC000850551141 637117776 /nfs/dbraw/zinc/11/77/76/637117776.db2.gz FRNODMCDOVMZKI-GFCCVEGCSA-N 1 0 277.755 3.077 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@H]2C(C)(C)C2(F)F)c1O ZINC000850552694 637119442 /nfs/dbraw/zinc/11/94/42/637119442.db2.gz PPVJHHACOLMAJT-CABZTGNLSA-N 1 0 285.334 3.343 20 10 CGCDRO CCCN1CC[C@@H]([NH2+][C@H](CC)c2ccc(C)cc2O)C1 ZINC000850557618 637121988 /nfs/dbraw/zinc/12/19/88/637121988.db2.gz XEECVIWAHSTBNR-GDBMZVCRSA-N 1 0 276.424 3.226 20 10 CGCDRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850567140 637126749 /nfs/dbraw/zinc/12/67/49/637126749.db2.gz XHEHRXNFCZWVDM-GJZGRUSLSA-N 1 0 290.451 3.172 20 10 CGCDRO C[N@H+](Cc1nc2ccccc2o1)Cc1ccccc1O ZINC000109770092 637267610 /nfs/dbraw/zinc/26/76/10/637267610.db2.gz KUSZOSRSTLNOFO-UHFFFAOYSA-N 1 0 268.316 3.165 20 10 CGCDRO CCCC[N@H+](Cc1ccccc1O)C[C@@](C)(O)C(F)F ZINC000886192403 637453353 /nfs/dbraw/zinc/45/33/53/637453353.db2.gz UYRXWDFNJLZRSI-OAHLLOKOSA-N 1 0 287.350 3.010 20 10 CGCDRO Oc1ccccc1C[N@H+](CCOC(F)F)C1CCCC1 ZINC000851770268 637496332 /nfs/dbraw/zinc/49/63/32/637496332.db2.gz NYTORCJOCAFYDO-UHFFFAOYSA-N 1 0 285.334 3.376 20 10 CGCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](CCF)C2)c1O ZINC000852533141 637674917 /nfs/dbraw/zinc/67/49/17/637674917.db2.gz PIAHODBBPVDMNH-LBPRGKRZSA-N 1 0 297.345 3.306 20 10 CGCDRO CN(C(=O)C=C1CC[NH2+]CC1)c1ccc2ccccc2c1 ZINC000852801825 637715635 /nfs/dbraw/zinc/71/56/35/637715635.db2.gz ARLHEDCBRMZUNO-UHFFFAOYSA-N 1 0 280.371 3.112 20 10 CGCDRO COCC1([NH2+]Cc2ccc3c(c2)CCO3)CCCCC1 ZINC000853090881 637754987 /nfs/dbraw/zinc/75/49/87/637754987.db2.gz GHUXHJFEDIBKPO-UHFFFAOYSA-N 1 0 275.392 3.060 20 10 CGCDRO CCOc1ccc(C[NH2+]C2(COC)CCCCC2)c(O)c1 ZINC000853090953 637755250 /nfs/dbraw/zinc/75/52/50/637755250.db2.gz JJYUJRDOKQUHSC-UHFFFAOYSA-N 1 0 293.407 3.230 20 10 CGCDRO C[C@@H]([NH2+]Cc1cc(F)ccc1O)c1cccs1 ZINC000222085290 637774151 /nfs/dbraw/zinc/77/41/51/637774151.db2.gz JWOQFRNKHDSMJO-SECBINFHSA-N 1 0 251.326 3.444 20 10 CGCDRO Cc1cc(O)c(C[N@H+](C)CCn2cccn2)cc1C(C)C ZINC000111169479 637783424 /nfs/dbraw/zinc/78/34/24/637783424.db2.gz KYGJFOZWRGSBGE-UHFFFAOYSA-N 1 0 287.407 3.153 20 10 CGCDRO CCn1nccc1C[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000853240656 637791447 /nfs/dbraw/zinc/79/14/47/637791447.db2.gz QFTGZIOAELVUJH-ZDUSSCGKSA-N 1 0 273.380 3.076 20 10 CGCDRO Oc1ccccc1C[NH2+]C[C@@H]1CCc2ccccc21 ZINC000111390450 637859751 /nfs/dbraw/zinc/85/97/51/637859751.db2.gz LIVBVIKTHYDVFG-AWEZNQCLSA-N 1 0 253.345 3.212 20 10 CGCDRO Oc1ccccc1C[NH2+]Cc1cccc2cccnc21 ZINC000112017864 638025951 /nfs/dbraw/zinc/02/59/51/638025951.db2.gz OZPCWWDIXLCQSW-UHFFFAOYSA-N 1 0 264.328 3.230 20 10 CGCDRO CCOc1cncc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000856778624 638386987 /nfs/dbraw/zinc/38/69/87/638386987.db2.gz OOKDIUZJYMOMBS-AWEZNQCLSA-N 1 0 299.418 3.397 20 10 CGCDRO ClC1(Cl)C[C@@H]1CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000856806836 638393662 /nfs/dbraw/zinc/39/36/62/638393662.db2.gz JLALWRABVDLQDU-LBPRGKRZSA-N 1 0 286.202 3.295 20 10 CGCDRO COc1ccc(O)c(C[NH+]2CC(C)(c3ccccc3)C2)c1 ZINC000857057851 638445601 /nfs/dbraw/zinc/44/56/01/638445601.db2.gz FUZWBZUVOBAKQU-UHFFFAOYSA-N 1 0 283.371 3.174 20 10 CGCDRO Oc1cc(Br)ccc1C[NH+]1CC(CC2CC2)C1 ZINC000857066787 638449001 /nfs/dbraw/zinc/44/90/01/638449001.db2.gz VVDNUSFWWQYKRE-UHFFFAOYSA-N 1 0 296.208 3.387 20 10 CGCDRO COCC1([NH2+]Cc2cc(F)c(N(C)C)cc2F)CCCC1 ZINC000858186829 638653235 /nfs/dbraw/zinc/65/32/35/638653235.db2.gz NAPINASZWGNJGQ-UHFFFAOYSA-N 1 0 298.377 3.080 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)c(Cl)c1 ZINC000858298617 638675609 /nfs/dbraw/zinc/67/56/09/638675609.db2.gz MSHDGUTYEPWGAE-NHYWBVRUSA-N 1 0 281.783 3.011 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)c1ccccc1O ZINC000926950924 638828739 /nfs/dbraw/zinc/82/87/39/638828739.db2.gz WVFMKBWKRRQGAA-WCABBAIRSA-N 1 0 259.271 3.241 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCOc2ccccc2)c1 ZINC000042895128 639922758 /nfs/dbraw/zinc/92/27/58/639922758.db2.gz CIXFNWAMIIFXQS-AWEZNQCLSA-N 1 0 271.360 3.430 20 10 CGCDRO COc1cc(O)c(C[N@H+](C)[C@@H]2CCC[C@@H](C)C2)cc1OC ZINC000159781050 640069103 /nfs/dbraw/zinc/06/91/03/640069103.db2.gz GUQNCZFLGHLIDB-TZMCWYRMSA-N 1 0 293.407 3.420 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H]2CCCO[C@H]2CC(C)C)c1O ZINC000187680252 640093726 /nfs/dbraw/zinc/09/37/26/640093726.db2.gz LNRUDLYRIUPVOZ-CVEARBPZSA-N 1 0 277.408 3.384 20 10 CGCDRO Cc1ccc(C[C@H](CO)[NH2+]Cc2cc(C)c(C)cc2O)cc1 ZINC000188982788 640161543 /nfs/dbraw/zinc/16/15/43/640161543.db2.gz IUHVFFLETTVFMG-GOSISDBHSA-N 1 0 299.414 3.011 20 10 CGCDRO COc1cnccc1[C@@H](C)[NH2+]Cc1cc(C)c(C)cc1O ZINC000189560512 640198716 /nfs/dbraw/zinc/19/87/16/640198716.db2.gz GBPXZPFBOGLVHI-CYBMUJFWSA-N 1 0 286.375 3.263 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCC(C)(C)O2)cc1C ZINC000189732708 640205111 /nfs/dbraw/zinc/20/51/11/640205111.db2.gz UCYBRJWVVWDHHY-AWEZNQCLSA-N 1 0 263.381 3.056 20 10 CGCDRO CC1(C)CC[C@@H](C[NH2+]Cc2cc(Cl)ccc2O)O1 ZINC000189735172 640205628 /nfs/dbraw/zinc/20/56/28/640205628.db2.gz YQMFTCWFKHYGMM-LBPRGKRZSA-N 1 0 269.772 3.093 20 10 CGCDRO CC[C@H](CSC)[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000193470522 640462336 /nfs/dbraw/zinc/46/23/36/640462336.db2.gz UZCPOBIPQBUPIV-CQSZACIVSA-N 1 0 266.454 3.326 20 10 CGCDRO CCCN(Cc1ccc(C)o1)c1ccc(C[NH3+])cc1 ZINC000194978397 640561486 /nfs/dbraw/zinc/56/14/86/640561486.db2.gz DPULFGDBYQVDQJ-UHFFFAOYSA-N 1 0 258.365 3.463 20 10 CGCDRO c1cc(C[NH2+]CC(C2CC2)C2CC2)cc2c1OCC2 ZINC000088455320 640617737 /nfs/dbraw/zinc/61/77/37/640617737.db2.gz JEMCUCGUWFGIQG-UHFFFAOYSA-N 1 0 257.377 3.147 20 10 CGCDRO CCOc1ccc(O)c(C[NH+]2C[C@H](C)S[C@@H](C)C2)c1 ZINC000092541195 640739127 /nfs/dbraw/zinc/73/91/27/640739127.db2.gz KTEIDHYLMQEZGQ-RYUDHWBXSA-N 1 0 281.421 3.117 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)c1cc(C)ccc1O)[C@H]1CCCO1 ZINC000248496459 640764433 /nfs/dbraw/zinc/76/44/33/640764433.db2.gz LHZPATJHEVWPCV-IVMMDQJWSA-N 1 0 263.381 3.309 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCN2CCC[C@@H](C)C2)c(O)c1 ZINC000248531352 640766794 /nfs/dbraw/zinc/76/67/94/640766794.db2.gz XXORKFCMWGJZHH-HUUCEWRRSA-N 1 0 276.424 3.083 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CCS[C@@H](CC)C2)c1 ZINC000093502362 640773724 /nfs/dbraw/zinc/77/37/24/640773724.db2.gz OYOSGYFXTKXGHL-AWEZNQCLSA-N 1 0 281.421 3.118 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@]2(C)CCCO2)cc1 ZINC000094797018 640803890 /nfs/dbraw/zinc/80/38/90/640803890.db2.gz CQMSVRDCGNLGSL-QGZVFWFLSA-N 1 0 276.424 3.192 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccccc1CO)c1ccc(N(C)C)cc1 ZINC000305149096 640884693 /nfs/dbraw/zinc/88/46/93/640884693.db2.gz SUFLQZDBXYROKV-LJQANCHMSA-N 1 0 298.430 3.486 20 10 CGCDRO CCN1CCCC[C@H]1C[NH2+]Cc1c(O)cccc1Cl ZINC000113341027 640976329 /nfs/dbraw/zinc/97/63/29/640976329.db2.gz KQFHMXNSCDFJHS-LBPRGKRZSA-N 1 0 282.815 3.010 20 10 CGCDRO CCOc1cc[nH+]c(N(C)Cc2ccc(N(C)C)cc2)c1 ZINC001156924281 805752649 /nfs/dbraw/zinc/75/26/49/805752649.db2.gz VQJKTNYTEYJALR-UHFFFAOYSA-N 1 0 285.391 3.183 20 10 CGCDRO CC[C@@H](C)[C@](C)(O)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001251801768 805937924 /nfs/dbraw/zinc/93/79/24/805937924.db2.gz UUGHZGCWLNHZGJ-CRAIPNDOSA-N 1 0 290.451 3.174 20 10 CGCDRO c1cc2c(c(Nc3ccc4c(c3)CCCN4)c1)C[NH2+]C2 ZINC001159766838 806167626 /nfs/dbraw/zinc/16/76/26/806167626.db2.gz IBXSAPSTFROLRS-UHFFFAOYSA-N 1 0 265.360 3.392 20 10 CGCDRO CCCC[C@@H](C)[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC001255322866 806612451 /nfs/dbraw/zinc/61/24/51/806612451.db2.gz LVCYTFSKIBILCS-OAHLLOKOSA-N 1 0 276.424 3.396 20 10 CGCDRO Cc1cc(C)c(C[NH2+][C@@H](C)CC(F)(F)F)c(O)c1 ZINC001255638714 806687677 /nfs/dbraw/zinc/68/76/77/806687677.db2.gz DEEZEONVWGCMLC-JTQLQIEISA-N 1 0 261.287 3.440 20 10 CGCDRO C[C@H]([NH2+]CCc1cccnc1)c1ccc(N(C)C)cc1 ZINC000037718108 798873139 /nfs/dbraw/zinc/87/31/39/798873139.db2.gz YPEYEBUBKBVJLM-AWEZNQCLSA-N 1 0 269.392 3.041 20 10 CGCDRO Cc1n[nH]cc1C[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2C ZINC000038011188 798883536 /nfs/dbraw/zinc/88/35/36/798883536.db2.gz MYIRJVBDRDHGFA-GXFFZTMASA-N 1 0 271.364 3.070 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CCN(C2CC2)C1)c1ccc2ccccc2c1O ZINC000314594790 799234346 /nfs/dbraw/zinc/23/43/46/799234346.db2.gz CBUHYUXOJBHHIQ-HIFRSBDPSA-N 1 0 296.414 3.433 20 10 CGCDRO C[C@H]([NH2+]C[C@@H](O)C1CCC1)c1ccc2ccccc2c1O ZINC000316723683 799242373 /nfs/dbraw/zinc/24/23/73/799242373.db2.gz IHIIRDCSGQPLMW-YVEFUNNKSA-N 1 0 285.387 3.357 20 10 CGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H](C)c1cnn(C)c1C ZINC000318819705 799245972 /nfs/dbraw/zinc/24/59/72/799245972.db2.gz QCZHZJOXWZUTIU-CYBMUJFWSA-N 1 0 296.418 3.379 20 10 CGCDRO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](C)[C@H]2C)c1O ZINC000380690383 799365495 /nfs/dbraw/zinc/36/54/95/799365495.db2.gz BREIUXNSBRKLSI-VHSXEESVSA-N 1 0 281.783 3.479 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1CC1(Cl)Cl)c1ccccc1O ZINC000381491703 799380303 /nfs/dbraw/zinc/38/03/03/799380303.db2.gz YCMPPLJBSHJXEK-IUCAKERBSA-N 1 0 260.164 3.237 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H](C)CN(C)Cc2ccccc2)c1 ZINC000381517223 799381546 /nfs/dbraw/zinc/38/15/46/799381546.db2.gz RPHQXIIXKNHRBR-MRXNPFEDSA-N 1 0 298.430 3.311 20 10 CGCDRO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000384314621 799415920 /nfs/dbraw/zinc/41/59/20/799415920.db2.gz RVNPQZGFRNDZOB-BONVTDFDSA-N 1 0 279.355 3.354 20 10 CGCDRO CC[C@H]([NH2+][C@H](CO)C1CCCCC1)c1ccccc1O ZINC000386255037 799433974 /nfs/dbraw/zinc/43/39/74/799433974.db2.gz LSMBIVICNQBUPR-JKSUJKDBSA-N 1 0 277.408 3.374 20 10 CGCDRO CO[C@@H]([C@H](C)[NH2+][C@H](C)c1ccc(C)cc1O)C1CC1 ZINC000388281189 799451686 /nfs/dbraw/zinc/45/16/86/799451686.db2.gz MLBFZSVPYYULTQ-WQGACYEGSA-N 1 0 263.381 3.165 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)[C@H]1CCCOC1 ZINC000388916766 799457855 /nfs/dbraw/zinc/45/78/55/799457855.db2.gz CNZVFQVTROMERQ-RDJZCZTQSA-N 1 0 288.435 3.192 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]C[C@@H]1CCCC1(F)F ZINC000390650355 799473141 /nfs/dbraw/zinc/47/31/41/799473141.db2.gz NISHFVHIMCCHNX-JTQLQIEISA-N 1 0 259.271 3.056 20 10 CGCDRO CC[C@H](C)[C@@H](C[NH2+][C@@H](C)c1cc(C)ccc1O)OC ZINC000394453428 799497275 /nfs/dbraw/zinc/49/72/75/799497275.db2.gz PYNORHKELXKNCJ-HEHGZKQESA-N 1 0 265.397 3.412 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+][C@@H]1CC12CCCC2 ZINC000395631278 799505648 /nfs/dbraw/zinc/50/56/48/799505648.db2.gz CNJUIIDYNSKMRK-CYBMUJFWSA-N 1 0 251.757 3.468 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC=C(Cl)Cl)c1 ZINC000407052679 799588334 /nfs/dbraw/zinc/58/83/34/799588334.db2.gz KCNVXFUMVPTPLY-MRVPVSSYSA-N 1 0 276.163 3.370 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1COC2(CCC2)C1)c1ccc(N(C)C)cc1 ZINC000688281418 799746479 /nfs/dbraw/zinc/74/64/79/799746479.db2.gz DSGHFOLLUHXFPD-HIFRSBDPSA-N 1 0 274.408 3.115 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCC[C@@H](C)O2)c1 ZINC000688879492 799756865 /nfs/dbraw/zinc/75/68/65/799756865.db2.gz PWFMEHHEVUTYGA-MBNYWOFBSA-N 1 0 279.380 3.009 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1CCC[C@@H](C)O1)c1cc(F)ccc1O ZINC000688885717 799757965 /nfs/dbraw/zinc/75/79/65/799757965.db2.gz UAGQQXMUVSENQG-WZRBSPASSA-N 1 0 267.344 3.140 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCC[C@H](C)O2)c1O ZINC000688903983 799758254 /nfs/dbraw/zinc/75/82/54/799758254.db2.gz ZUFIFDOZRWWCCJ-GWCFXTLKSA-N 1 0 299.798 3.101 20 10 CGCDRO C[C@]1(C[NH2+]Cc2c(O)cccc2Cl)CC1(F)F ZINC000689200824 799761653 /nfs/dbraw/zinc/76/16/53/799761653.db2.gz DPPXABVHZPLXPY-LLVKDONJSA-N 1 0 261.699 3.181 20 10 CGCDRO CCc1cccc(C[NH2+]Cc2scnc2C)c1O ZINC000691491531 799784784 /nfs/dbraw/zinc/78/47/84/799784784.db2.gz CXXNNIZQCNSEMA-UHFFFAOYSA-N 1 0 262.378 3.009 20 10 CGCDRO CCSCCC[NH2+]Cc1cccc(CC)c1O ZINC000691528745 799785378 /nfs/dbraw/zinc/78/53/78/799785378.db2.gz ZPASSJBWFFLQPX-UHFFFAOYSA-N 1 0 253.411 3.187 20 10 CGCDRO CCc1cccc(C[NH2+]Cc2ncc(C)s2)c1O ZINC000691491485 799785452 /nfs/dbraw/zinc/78/54/52/799785452.db2.gz CQQIXZYEPUVHRD-UHFFFAOYSA-N 1 0 262.378 3.009 20 10 CGCDRO CCSC1(C[NH2+]Cc2cc(C)ccc2O)CC1 ZINC000691826622 799788016 /nfs/dbraw/zinc/78/80/16/799788016.db2.gz DBALXIRPOAPKLE-UHFFFAOYSA-N 1 0 251.395 3.076 20 10 CGCDRO CCSC1(C[NH2+]Cc2cccc(C)c2O)CC1 ZINC000691827626 799788267 /nfs/dbraw/zinc/78/82/67/799788267.db2.gz LGXCUNRTDILYMD-UHFFFAOYSA-N 1 0 251.395 3.076 20 10 CGCDRO C[C@H]([NH2+]Cc1cccc2c1OCC2)c1ccccc1O ZINC000692975007 799806001 /nfs/dbraw/zinc/80/60/01/799806001.db2.gz MXJWFVBITAKVQN-LBPRGKRZSA-N 1 0 269.344 3.178 20 10 CGCDRO CO[C@@H](C[NH2+]Cc1ccccc1O)C1CCCCC1 ZINC000695138955 799827266 /nfs/dbraw/zinc/82/72/66/799827266.db2.gz AOBJFUCRGVQXDS-INIZCTEOSA-N 1 0 263.381 3.077 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@H]2CCCC3(CC3)C2)c1 ZINC000695762347 799835166 /nfs/dbraw/zinc/83/51/66/799835166.db2.gz YARPENWBENOTEM-ZDUSSCGKSA-N 1 0 261.365 3.213 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C2CC2)c(O)c1 ZINC000695894238 799836152 /nfs/dbraw/zinc/83/61/52/799836152.db2.gz XSSVVGXBKMCESI-JKSUJKDBSA-N 1 0 275.392 3.459 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H]2C[C@H]2C2CC2)c1O ZINC000698894364 799857661 /nfs/dbraw/zinc/85/76/61/799857661.db2.gz FIWAKIKVRNDEAE-GWCFXTLKSA-N 1 0 281.783 3.190 20 10 CGCDRO [NH3+]Cc1ccc2c(c1)CCCN2CCOCc1ccccc1 ZINC000700795231 799879654 /nfs/dbraw/zinc/87/96/54/799879654.db2.gz TTZORKAYOPQMKJ-UHFFFAOYSA-N 1 0 296.414 3.115 20 10 CGCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1ccncc1Cl ZINC000700820730 799881996 /nfs/dbraw/zinc/88/19/96/799881996.db2.gz OZGZOCMUPWJFPA-UHFFFAOYSA-N 1 0 287.794 3.147 20 10 CGCDRO CS[C@@H]1CC[C@H]1[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000702001526 799901118 /nfs/dbraw/zinc/90/11/18/799901118.db2.gz GLVCTIJMJZPJES-GDBMZVCRSA-N 1 0 276.449 3.053 20 10 CGCDRO CN(CCCOc1ccc(F)cc1)c1ccc(N)cc1 ZINC000702055687 799902582 /nfs/dbraw/zinc/90/25/82/799902582.db2.gz KGUBUWHJEBNVCM-UHFFFAOYSA-N 1 0 274.339 3.313 20 10 CGCDRO CC1([NH2+]Cc2cc(Br)ccc2O)CC=CC1 ZINC000702141149 799904057 /nfs/dbraw/zinc/90/40/57/799904057.db2.gz LKCWTRQAAPKNQP-UHFFFAOYSA-N 1 0 282.181 3.353 20 10 CGCDRO Cc1ccoc1C[NH2+]Cc1c(O)cccc1Br ZINC000706809113 799967612 /nfs/dbraw/zinc/96/76/12/799967612.db2.gz MKJIZWWKRXHOIU-UHFFFAOYSA-N 1 0 296.164 3.346 20 10 CGCDRO CC(C)(C)C[NH2+]Cc1c(O)cccc1Br ZINC000706842398 799968041 /nfs/dbraw/zinc/96/80/41/799968041.db2.gz GPPDGZMBGDEIQN-UHFFFAOYSA-N 1 0 272.186 3.290 20 10 CGCDRO CCC1([NH2+]Cc2c(O)cccc2Br)CC1 ZINC000706863512 799968577 /nfs/dbraw/zinc/96/85/77/799968577.db2.gz JWIZCZKOSFQTNN-UHFFFAOYSA-N 1 0 270.170 3.187 20 10 CGCDRO Oc1cccc(Br)c1C[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000706881420 799968696 /nfs/dbraw/zinc/96/86/96/799968696.db2.gz RZRKMOOWCHCXSK-ILWJIGKKSA-N 1 0 282.181 3.043 20 10 CGCDRO Oc1cccc(Br)c1C[NH2+]CC1=CCCC1 ZINC000706863306 799969525 /nfs/dbraw/zinc/96/95/25/799969525.db2.gz CLKVNWGNWWUJLF-UHFFFAOYSA-N 1 0 282.181 3.355 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)c1O ZINC000709510230 800009873 /nfs/dbraw/zinc/00/98/73/800009873.db2.gz YCVYQZGUPFZPTQ-IVMMDQJWSA-N 1 0 259.393 3.480 20 10 CGCDRO C[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(N)cc2)C1 ZINC000709622011 800010691 /nfs/dbraw/zinc/01/06/91/800010691.db2.gz NSQNTYZPFJIFOM-LBPRGKRZSA-N 1 0 258.287 3.043 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](C)CC2CCCC2)c(O)c1 ZINC000712568371 800093132 /nfs/dbraw/zinc/09/31/32/800093132.db2.gz YFUOTSBEAAAFSF-LBPRGKRZSA-N 1 0 263.381 3.459 20 10 CGCDRO CO[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2O)C12CCC2 ZINC000713470887 800109591 /nfs/dbraw/zinc/10/95/91/800109591.db2.gz JJQLXCPYJPPDKU-UONOGXRCSA-N 1 0 281.783 3.093 20 10 CGCDRO CO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccccc2O)C12CCC2 ZINC000713496532 800110871 /nfs/dbraw/zinc/11/08/71/800110871.db2.gz NXZLVXUJDDOWCQ-BYCMXARLSA-N 1 0 261.365 3.000 20 10 CGCDRO C[NH+](C)C1CCC([NH2+]Cc2cccc(Cl)c2[O-])CC1 ZINC000715563063 800138844 /nfs/dbraw/zinc/13/88/44/800138844.db2.gz SNESNAGVAGWJIS-UHFFFAOYSA-N 1 0 282.815 3.008 20 10 CGCDRO Cc1cc(Br)cc(C[N@H+](C)CCCF)c1O ZINC000716640777 800177634 /nfs/dbraw/zinc/17/76/34/800177634.db2.gz YDXALBKWBUQHHL-UHFFFAOYSA-N 1 0 290.176 3.255 20 10 CGCDRO Clc1ncc(C[NH2+]Cc2ccc3c(c2)CCO3)s1 ZINC000718142443 800212937 /nfs/dbraw/zinc/21/29/37/800212937.db2.gz ARGDYMCLGWPMQB-UHFFFAOYSA-N 1 0 280.780 3.021 20 10 CGCDRO C[C@@H]([NH2+]CCOC(F)(F)C(F)(F)F)c1ccccc1O ZINC000720221972 800254125 /nfs/dbraw/zinc/25/41/25/800254125.db2.gz BMWJYDQXAOEVJS-MRVPVSSYSA-N 1 0 299.239 3.215 20 10 CGCDRO C[C@H]1Cc2cc(C[NH2+]Cc3ccccc3O)ccc2O1 ZINC000720776002 800265872 /nfs/dbraw/zinc/26/58/72/800265872.db2.gz BOOTUSHXMYYEQP-LBPRGKRZSA-N 1 0 269.344 3.005 20 10 CGCDRO CCO[C@H]1CCC[C@H]([NH2+]Cc2ccc(N(C)C)cc2)C1 ZINC000721182151 800279290 /nfs/dbraw/zinc/27/92/90/800279290.db2.gz ARUCMFPNHOIDHW-RDJZCZTQSA-N 1 0 276.424 3.190 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(N[C@@H](C)C[NH+](C)C)cc1 ZINC001163776780 806823768 /nfs/dbraw/zinc/82/37/68/806823768.db2.gz KQGJUJRHBYEMTB-ZDUSSCGKSA-N 1 0 271.408 3.456 20 10 CGCDRO C[C@H]([NH2+]CC[C@H]1CCOC1)c1cc(Cl)ccc1O ZINC000757658675 800380971 /nfs/dbraw/zinc/38/09/71/800380971.db2.gz SLJSMBLFMDQATG-QWRGUYRKSA-N 1 0 269.772 3.123 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@H](c2ccccn2)C2CC2)c1 ZINC000922585914 800619227 /nfs/dbraw/zinc/61/92/27/800619227.db2.gz JCTWDLVHQMZFNQ-SFHVURJKSA-N 1 0 298.386 3.427 20 10 CGCDRO C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC001118122733 802527406 /nfs/dbraw/zinc/52/74/06/802527406.db2.gz ZVGVYVKCINHLLB-DTWKUNHWSA-N 1 0 291.222 3.205 20 10 CGCDRO COC(=O)CC[N@@H+](Cc1ccc(Cl)cc1O)CC(C)C ZINC001180275091 809987939 /nfs/dbraw/zinc/98/79/39/809987939.db2.gz GIJNDSNAUCPECF-UHFFFAOYSA-N 1 0 299.798 3.067 20 10 CGCDRO COc1cccc(F)c1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC001120261209 802737529 /nfs/dbraw/zinc/73/75/29/802737529.db2.gz ZYXMAZKYHCTNKU-CQSZACIVSA-N 1 0 287.334 3.317 20 10 CGCDRO CC(C)C[N@H+](Cc1ccc(N)cc1)Cc1ccccn1 ZINC001120371366 802742232 /nfs/dbraw/zinc/74/22/32/802742232.db2.gz DMWAUDSJYFYELR-UHFFFAOYSA-N 1 0 269.392 3.322 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CCc3ncc(C)cc3C2)c1O ZINC001203614915 812406760 /nfs/dbraw/zinc/40/67/60/812406760.db2.gz GMXBBQDDHURLCQ-UHFFFAOYSA-N 1 0 298.386 3.053 20 10 CGCDRO CCOc1cccc(C[N@H+](C)Cc2cccnc2C)c1O ZINC001203615706 812407140 /nfs/dbraw/zinc/40/71/40/812407140.db2.gz XWGADPPSYJRFOX-UHFFFAOYSA-N 1 0 286.375 3.126 20 10 CGCDRO C(=C/C1CC[NH2+]CC1)\c1ccc(N2CCCC2)cc1 ZINC001243897834 803067076 /nfs/dbraw/zinc/06/70/76/803067076.db2.gz XAWSTIHDUXSXOF-ONEGZZNKSA-N 1 0 256.393 3.300 20 10 CGCDRO Cc1cccc2c(C[N@@H+](C)Cc3ccccc3O)[nH]nc21 ZINC001137149458 803689206 /nfs/dbraw/zinc/68/92/06/803689206.db2.gz UWHZPIILTYWMAD-UHFFFAOYSA-N 1 0 281.359 3.209 20 10 CGCDRO C[N@H+](CCc1ccccc1F)Cc1c([O-])cccc1F ZINC001137839707 803779718 /nfs/dbraw/zinc/77/97/18/803779718.db2.gz HKBDQRWENBKFGT-UHFFFAOYSA-N 1 0 277.314 3.345 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)Cc2c([O-])cccc2F)cc1 ZINC001137839974 803780882 /nfs/dbraw/zinc/78/08/82/803780882.db2.gz OJWMACIYNISXBX-UHFFFAOYSA-N 1 0 288.366 3.229 20 10 CGCDRO FC[C@H]1[C@@H]2C[N@H+](Cc3ccc(N4CCCCC4)cc3)C[C@H]12 ZINC001138220937 803874196 /nfs/dbraw/zinc/87/41/96/803874196.db2.gz SYODNXZZTRYDCX-NNZMDNLPSA-N 1 0 288.410 3.324 20 10 CGCDRO Cc1c(C[NH+]2CCC3(COC3)CC2)c2ccccc2n1C ZINC001138252603 803880698 /nfs/dbraw/zinc/88/06/98/803880698.db2.gz NADSQGLXSYNXAT-UHFFFAOYSA-N 1 0 284.403 3.099 20 10 CGCDRO Cc1c(C[N@H+]2C[C@H](CO)CC[C@H]2C)c2ccccc2n1C ZINC001138252675 803882237 /nfs/dbraw/zinc/88/22/37/803882237.db2.gz PQYSPEKSZKSYKG-UKRRQHHQSA-N 1 0 286.419 3.080 20 10 CGCDRO Cc1c(C[N@H+](C)C[C@H]2CCCCO2)c2ccccc2n1C ZINC001138256863 803882969 /nfs/dbraw/zinc/88/29/69/803882969.db2.gz NLNRDSARRWSCCL-OAHLLOKOSA-N 1 0 286.419 3.488 20 10 CGCDRO Cc1c(C[N@@H+]2C[C@H]3CC[C@@H]2C3)c2ccccc2n1C ZINC001138258064 803885176 /nfs/dbraw/zinc/88/51/76/803885176.db2.gz KBBJOMOFEBZMHA-UONOGXRCSA-N 1 0 254.377 3.471 20 10 CGCDRO Cc1c(C[N@H+]2CC[C@H](N(C)C3CC3)C2)c2ccccc2n1C ZINC001138259882 803885273 /nfs/dbraw/zinc/88/52/73/803885273.db2.gz POGQTDHXRMDHCD-INIZCTEOSA-N 1 0 297.446 3.155 20 10 CGCDRO C[C@H]1CCC[N@H+](Cc2ccc3c(c2)CCCN3C)C1 ZINC001138353518 803900045 /nfs/dbraw/zinc/90/00/45/803900045.db2.gz DSKYWTXLYYFDKW-AWEZNQCLSA-N 1 0 258.409 3.301 20 10 CGCDRO CN1CCCc2cc(CN3CCC(F)(F)[C@@H](F)C3)ccc21 ZINC001138354722 803900685 /nfs/dbraw/zinc/90/06/85/803900685.db2.gz RMZTZUCQCNGRNJ-HNNXBMFYSA-N 1 0 298.352 3.248 20 10 CGCDRO CN1CCCc2cc(C[N@@H+]3CCC[C@@H]3CF)ccc21 ZINC001138359593 803902102 /nfs/dbraw/zinc/90/21/02/803902102.db2.gz VCUOZVYLDLABJS-OAHLLOKOSA-N 1 0 262.372 3.003 20 10 CGCDRO Nc1ccc(C[NH2+][C@@H]2COc3ccc(Cl)cc3C2)cc1 ZINC001246169591 804184115 /nfs/dbraw/zinc/18/41/15/804184115.db2.gz ICHPKFOETZOQFN-HNNXBMFYSA-N 1 0 288.778 3.016 20 10 CGCDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@](CF)(C(F)(F)F)C1 ZINC001140057597 804364825 /nfs/dbraw/zinc/36/48/25/804364825.db2.gz HJHRGZPIJQIYFL-GFCCVEGCSA-N 1 0 295.251 3.255 20 10 CGCDRO Oc1ccc(F)cc1C[N@@H+]1CCOC[C@H]1C1CCCCC1 ZINC001140060503 804365175 /nfs/dbraw/zinc/36/51/75/804365175.db2.gz ZAMWUFNJUQQCOI-INIZCTEOSA-N 1 0 293.382 3.312 20 10 CGCDRO CC(C)[NH+](Cc1ccc(N2CCC(O)CC2)cc1)C(C)C ZINC001140281928 804409105 /nfs/dbraw/zinc/40/91/05/804409105.db2.gz UIFSAYBELKZIOH-UHFFFAOYSA-N 1 0 290.451 3.267 20 10 CGCDRO COCC[C@@H]1CCCC[N@@H+]1Cc1c(O)cccc1Cl ZINC001140344732 804419704 /nfs/dbraw/zinc/41/97/04/804419704.db2.gz KWESVPBSISAMRE-LBPRGKRZSA-N 1 0 283.799 3.437 20 10 CGCDRO C[C@@H]1CCN(Cc2ccc(Cl)cc2O)C[C@H]1F ZINC001140462289 804440883 /nfs/dbraw/zinc/44/08/83/804440883.db2.gz DOJVGXSFTZEVAG-BXKDBHETSA-N 1 0 257.736 3.226 20 10 CGCDRO C[N@H+](CCc1cccnc1)Cc1ccc(Cl)cc1O ZINC001140466978 804444084 /nfs/dbraw/zinc/44/40/84/804444084.db2.gz OKAYOWJJVOECAI-UHFFFAOYSA-N 1 0 276.767 3.115 20 10 CGCDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@H]2c2cccnc2)c1O ZINC001140742648 804502606 /nfs/dbraw/zinc/50/26/06/804502606.db2.gz TXRHQXVTFPOOAR-HNNXBMFYSA-N 1 0 284.359 3.138 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)Cc2c(N)cccc2F)cc1 ZINC001140876845 804539529 /nfs/dbraw/zinc/53/95/29/804539529.db2.gz NXVNZHSQAHVGQN-UHFFFAOYSA-N 1 0 287.382 3.106 20 10 CGCDRO CCCCCC[NH+]1CCN(Cc2ccc(C)cc2O)CC1 ZINC001140949720 804555863 /nfs/dbraw/zinc/55/58/63/804555863.db2.gz JMQJMPHNVPHQJD-UHFFFAOYSA-N 1 0 290.451 3.399 20 10 CGCDRO Cc1ccc(C[N@H+](C)Cc2ccc(F)cc2)c(O)c1 ZINC001140948298 804555995 /nfs/dbraw/zinc/55/59/95/804555995.db2.gz BYUPXEKHDVHVOY-UHFFFAOYSA-N 1 0 259.324 3.472 20 10 CGCDRO CC[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccc(C)cc1O ZINC001140954447 804558533 /nfs/dbraw/zinc/55/85/33/804558533.db2.gz RVLLYAVVEBHVQB-UHFFFAOYSA-N 1 0 299.370 3.451 20 10 CGCDRO COc1cc(O)c(C[NH+](C(C)C)C(C)C)c(OC)c1 ZINC001141032093 804574458 /nfs/dbraw/zinc/57/44/58/804574458.db2.gz RULDJVTWHXMIAD-UHFFFAOYSA-N 1 0 267.369 3.028 20 10 CGCDRO COc1cc(O)c(C[NH+]2C[C@@H]3CCCC[C@H]3C2)c(OC)c1 ZINC001141030941 804575402 /nfs/dbraw/zinc/57/54/02/804575402.db2.gz RQBHJPDKBMTQJR-STQMWFEESA-N 1 0 291.391 3.031 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H]2c2ccccc2)c(OC)c1 ZINC001141029022 804575447 /nfs/dbraw/zinc/57/54/47/804575447.db2.gz HTTCHRPTRABKLW-MRXNPFEDSA-N 1 0 299.370 3.356 20 10 CGCDRO CCCC1CC[NH+](Cc2c(O)cc(OC)cc2OC)CC1 ZINC001141028285 804575616 /nfs/dbraw/zinc/57/56/16/804575616.db2.gz JLHYDQXQHUICGW-UHFFFAOYSA-N 1 0 293.407 3.422 20 10 CGCDRO Cc1ccccc1O[C@@H]1CC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141158450 804600078 /nfs/dbraw/zinc/60/00/78/804600078.db2.gz ACDXKUATRKXNAC-MRXNPFEDSA-N 1 0 299.370 3.060 20 10 CGCDRO COc1ccsc1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001141327075 804630861 /nfs/dbraw/zinc/63/08/61/804630861.db2.gz IISCTBPZGVKMAW-UHFFFAOYSA-N 1 0 275.373 3.021 20 10 CGCDRO Oc1cc(F)c(F)cc1CN1CCc2cc(F)ccc2C1 ZINC001142527203 804733846 /nfs/dbraw/zinc/73/38/46/804733846.db2.gz OFIHRQASJXRACY-UHFFFAOYSA-N 1 0 293.288 3.368 20 10 CGCDRO C[C@@H]1CC[C@@H](CO)C[N@@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001143104007 804801584 /nfs/dbraw/zinc/80/15/84/804801584.db2.gz NZEDGZZFIRCCCV-ZIAGYGMSSA-N 1 0 291.435 3.283 20 10 CGCDRO CN(CC[NH+]1CCCC1)Cc1cccc(C(C)(C)C)c1O ZINC001143111870 804803063 /nfs/dbraw/zinc/80/30/63/804803063.db2.gz GXVGTXUUCSAKNM-UHFFFAOYSA-N 1 0 290.451 3.217 20 10 CGCDRO CC(C)[N@H+](CCCO)Cc1cccc(C(C)(C)C)c1O ZINC001143110319 804803085 /nfs/dbraw/zinc/80/30/85/804803085.db2.gz CQVJWAQJRIJVLJ-UHFFFAOYSA-N 1 0 279.424 3.283 20 10 CGCDRO CC(C)(C)c1cccc(C[N@@H+]2CC[C@H]3OCC[C@@H]3C2)c1O ZINC001143111925 804803103 /nfs/dbraw/zinc/80/31/03/804803103.db2.gz IJGNHURTQHSCEB-CZUORRHYSA-N 1 0 289.419 3.301 20 10 CGCDRO CC[C@@]12C[C@@H](CO1)[N@H+](Cc1cccc(C(C)(C)C)c1O)C2 ZINC001143112293 804803778 /nfs/dbraw/zinc/80/37/78/804803778.db2.gz OYFWWBMBNIYFCJ-KSSFIOAISA-N 1 0 289.419 3.443 20 10 CGCDRO C[NH+](C)CCCOc1ccc(Nc2ccc(N)cc2)cc1 ZINC001248417189 804931052 /nfs/dbraw/zinc/93/10/52/804931052.db2.gz ZPMYXXMZZSCLIJ-UHFFFAOYSA-N 1 0 285.391 3.343 20 10 CGCDRO C[C@H]1CC[N@@H+]1Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001249223322 805114733 /nfs/dbraw/zinc/11/47/33/805114733.db2.gz DLQTVSTVIDBVKQ-NSHDSACASA-N 1 0 259.349 3.171 20 10 CGCDRO Cc1cc(C[NH+]2CCCC2)c(O)cc1Br ZINC001250118124 805427024 /nfs/dbraw/zinc/42/70/24/805427024.db2.gz WSTAFUPHQJRCTH-UHFFFAOYSA-N 1 0 270.170 3.059 20 10 CGCDRO C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(N(C)C)cc2)C[C@H](C)O1 ZINC001257101409 807053296 /nfs/dbraw/zinc/05/32/96/807053296.db2.gz HDCDCJFLRWPDEQ-XOIINTDNSA-N 1 0 276.424 3.140 20 10 CGCDRO COc1ccc2c(c1)C[C@@H]([NH2+]Cc1c(C)cc(C)cc1O)C2 ZINC001168244368 807364868 /nfs/dbraw/zinc/36/48/68/807364868.db2.gz PCZYIPXTVVZAQF-INIZCTEOSA-N 1 0 297.398 3.275 20 10 CGCDRO COc1ccc(N2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)cc1 ZINC001258817585 807634650 /nfs/dbraw/zinc/63/46/50/807634650.db2.gz XCZRANHXWCRDOZ-DOTOQJQBSA-N 1 0 288.435 3.396 20 10 CGCDRO CC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(O)cc1O ZINC001258841667 807653768 /nfs/dbraw/zinc/65/37/68/807653768.db2.gz PROLDQJFMKPLIH-HNNXBMFYSA-N 1 0 271.360 3.209 20 10 CGCDRO C[N@H+](Cc1ccccc1O)C1CC(C)(C)N(O)C(C)(C)C1 ZINC001170004125 807737630 /nfs/dbraw/zinc/73/76/30/807737630.db2.gz CKNVFLBKYTVPME-UHFFFAOYSA-N 1 0 292.423 3.235 20 10 CGCDRO CC[N@H+](Cc1ccc(N2CCCC2)cc1)[C@@H]1CCCOC1 ZINC001261509197 807753397 /nfs/dbraw/zinc/75/33/97/807753397.db2.gz LZZBZALLGJBPTP-GOSISDBHSA-N 1 0 288.435 3.288 20 10 CGCDRO CC[C@H]1C[C@@H]([N@H+](C)Cc2ccc(N(C)C)cc2)CCO1 ZINC001170237215 807799420 /nfs/dbraw/zinc/79/94/20/807799420.db2.gz HRVKBJVAYCSSIQ-IRXDYDNUSA-N 1 0 276.424 3.142 20 10 CGCDRO c1cc(N2CCCC2)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)O2 ZINC001172217769 808200080 /nfs/dbraw/zinc/20/00/80/808200080.db2.gz ILPAOYLRMNQWNY-ZNXRZULTSA-N 1 0 286.419 3.086 20 10 CGCDRO CC[C@@H](C)OCC[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC001172345331 808244277 /nfs/dbraw/zinc/24/42/77/808244277.db2.gz WOKSCQMNWJUECR-HUUCEWRRSA-N 1 0 278.440 3.436 20 10 CGCDRO CC(C)OCC[C@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC001172450187 808322554 /nfs/dbraw/zinc/32/25/54/808322554.db2.gz UYIXTKUNTOKRCV-STQMWFEESA-N 1 0 251.370 3.246 20 10 CGCDRO CCc1ccc(C[C@@H](C)[NH2+]Cc2cccc(O)c2O)cc1 ZINC001173240589 808548421 /nfs/dbraw/zinc/54/84/21/808548421.db2.gz IGUNVYAEZRKXQW-CYBMUJFWSA-N 1 0 285.387 3.381 20 10 CGCDRO CCOC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccccc2O)C1 ZINC001173636892 808657078 /nfs/dbraw/zinc/65/70/78/808657078.db2.gz PKKXQULJVXOVQU-MCIONIFRSA-N 1 0 291.391 3.165 20 10 CGCDRO CN(c1ccc(N)cc1)C1=CCC[N@H+](Cc2ccccc2)C1 ZINC001174395078 808993500 /nfs/dbraw/zinc/99/35/00/808993500.db2.gz QODOKIRZLMRIBC-UHFFFAOYSA-N 1 0 293.414 3.495 20 10 CGCDRO COCC1([NH2+]Cc2ccc(N(C)C)c(C)c2)CCCCC1 ZINC001174891093 809192035 /nfs/dbraw/zinc/19/20/35/809192035.db2.gz OSMXKSMIENSGQE-UHFFFAOYSA-N 1 0 290.451 3.500 20 10 CGCDRO C[N@@H+]1CCC=C(Nc2ccc(Cc3ccc(N)cc3)cc2)C1 ZINC001175580989 809461152 /nfs/dbraw/zinc/46/11/52/809461152.db2.gz VXPOWWRZZFBIPS-UHFFFAOYSA-N 1 0 293.414 3.491 20 10 CGCDRO CC[C@@H]1C[C@H]1C[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001178712795 809884729 /nfs/dbraw/zinc/88/47/29/809884729.db2.gz CDULGDMUSSNOFT-MNOVXSKESA-N 1 0 268.351 3.167 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2C[C@@H]3CC[C@H]2O3)cc1F ZINC001179834286 809949919 /nfs/dbraw/zinc/94/99/19/809949919.db2.gz JRFJWDJZIGSXOB-YSVLISHTSA-N 1 0 292.398 3.081 20 10 CGCDRO CC(C)[C@H]1CC[N@@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC001180326370 809993653 /nfs/dbraw/zinc/99/36/53/809993653.db2.gz KNCVIRRRAYITIL-KEGWNNHHSA-N 1 0 258.409 3.496 20 10 CGCDRO CN(C)c1cc(F)c(C[NH+]2CCCCCC2)cc1F ZINC001180372033 809995902 /nfs/dbraw/zinc/99/59/02/809995902.db2.gz GTZGXEPVPNBVNG-UHFFFAOYSA-N 1 0 268.351 3.407 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2CO)cc1C ZINC001181776451 810070650 /nfs/dbraw/zinc/07/06/50/810070650.db2.gz OXALZJCXWIAGGT-HZPDHXFCSA-N 1 0 277.408 3.034 20 10 CGCDRO CC[C@@]1(O)CCC[N@H+](Cc2cc(C(C)C)ccc2O)C1 ZINC001183279806 810143593 /nfs/dbraw/zinc/14/35/93/810143593.db2.gz DPCHAZRGGPVKRB-QGZVFWFLSA-N 1 0 277.408 3.253 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](C3CCC3)C2)cc1 ZINC001195146365 811215293 /nfs/dbraw/zinc/21/52/93/811215293.db2.gz CONNOIAYVWTKAS-INIZCTEOSA-N 1 0 258.409 3.375 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C[C@H]2Cc3ccccc32)cc1F ZINC001200204533 811644983 /nfs/dbraw/zinc/64/49/83/811644983.db2.gz SSNILDDTTBMWGO-OAHLLOKOSA-N 1 0 284.378 3.321 20 10 CGCDRO Oc1cccc2c1C[N@H+](CCCc1ccccc1)CC2 ZINC001201672565 811933898 /nfs/dbraw/zinc/93/38/98/811933898.db2.gz SWAMERZWFJIVQM-UHFFFAOYSA-N 1 0 267.372 3.383 20 10 CGCDRO Cc1ccc(C2(O)CC[NH+](Cc3ccccc3O)CC2)cc1 ZINC001203546966 812388607 /nfs/dbraw/zinc/38/86/07/812388607.db2.gz DICZIZDDWCVUNK-UHFFFAOYSA-N 1 0 297.398 3.184 20 10 CGCDRO COc1cccc(C[N@H+](C)CCc2cccc(F)c2)c1O ZINC001203600222 812405558 /nfs/dbraw/zinc/40/55/58/812405558.db2.gz YCIAZCHSCYZFOZ-UHFFFAOYSA-N 1 0 289.350 3.214 20 10 CGCDRO COc1ccc(C[NH+]2CCC(c3cccnc3)CC2)c(O)c1 ZINC001203629199 812410545 /nfs/dbraw/zinc/41/05/45/812410545.db2.gz STRATXMHISNPSM-UHFFFAOYSA-N 1 0 298.386 3.175 20 10 CGCDRO CC[N@H+](Cc1ccccc1O)Cc1ccc(OC)cc1O ZINC001203628923 812411109 /nfs/dbraw/zinc/41/11/09/812411109.db2.gz KWMFHZWCFCYRSQ-UHFFFAOYSA-N 1 0 287.359 3.129 20 10 CGCDRO C[C@H]1CC[N@H+](Cc2cc(Cl)ccc2O)CC[C@]1(C)O ZINC001203651776 812414943 /nfs/dbraw/zinc/41/49/43/812414943.db2.gz UOYGQOCHHIBVRJ-NHYWBVRUSA-N 1 0 283.799 3.029 20 10 CGCDRO Oc1ccc(Br)cc1C[N@@H+]1CCC[C@@H]2C[C@@H]21 ZINC001203650601 812415322 /nfs/dbraw/zinc/41/53/22/812415322.db2.gz XKMXSMXSPVCJGK-SKDRFNHKSA-N 1 0 282.181 3.139 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@]2(C1)CCCCO2 ZINC001203650814 812415755 /nfs/dbraw/zinc/41/57/55/812415755.db2.gz DJSIXPSDZXTSKV-HNNXBMFYSA-N 1 0 281.783 3.191 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CCCC[C@@](C)(F)C2)c1 ZINC001203669429 812425562 /nfs/dbraw/zinc/42/55/62/812425562.db2.gz BWNGSWSMUOSOHW-OAHLLOKOSA-N 1 0 267.344 3.115 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@](C)(F)C2)cc1 ZINC001203931867 812495113 /nfs/dbraw/zinc/49/51/13/812495113.db2.gz XOYRNWLSKSSBOR-INIZCTEOSA-N 1 0 264.388 3.467 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCCC[C@@H]2C(C)=O)cc1 ZINC001203941695 812497377 /nfs/dbraw/zinc/49/73/77/812497377.db2.gz FJBOHLWWVPRGDT-GOSISDBHSA-N 1 0 288.435 3.476 20 10 CGCDRO CCN(CC)c1ccc(CN2C[C@@H](F)C[C@H]2CF)cc1 ZINC001203940305 812497864 /nfs/dbraw/zinc/49/78/64/812497864.db2.gz LOZBOYABISDLFM-HOCLYGCPSA-N 1 0 282.378 3.415 20 10 CGCDRO CC[N@H+](Cc1ccc(O)cc1)Cc1ccccc1O ZINC001204097180 812549623 /nfs/dbraw/zinc/54/96/23/812549623.db2.gz SSLAUWLLSMMRCP-UHFFFAOYSA-N 1 0 257.333 3.120 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCOC3(CC3)C2)c2ccccc21 ZINC001204240143 812581094 /nfs/dbraw/zinc/58/10/94/812581094.db2.gz IYRHIYKRUKRDNX-UHFFFAOYSA-N 1 0 296.414 3.271 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)c3ccccc23)CC[C@@H]1O ZINC001204234158 812581949 /nfs/dbraw/zinc/58/19/49/812581949.db2.gz XRHWZGRCYOEVFM-KUHUBIRLSA-N 1 0 298.430 3.109 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@](C)(O)C2)c2ccccc21 ZINC001204242813 812583801 /nfs/dbraw/zinc/58/38/01/812583801.db2.gz SFRCWGBYKMOOHJ-LJQANCHMSA-N 1 0 298.430 3.253 20 10 CGCDRO Oc1ccc(C[N@@H+]2CCC[C@@H]2c2ccccc2)c(O)c1 ZINC001204274707 812592985 /nfs/dbraw/zinc/59/29/85/812592985.db2.gz GZFHRXJCRSWOJP-MRXNPFEDSA-N 1 0 269.344 3.435 20 10 CGCDRO Oc1ccc(C[NH+]2CCC3(CC[C@H](F)C3)CC2)c(O)c1 ZINC001204281511 812596906 /nfs/dbraw/zinc/59/69/06/812596906.db2.gz SOWSTHIWIAGSAB-ZDUSSCGKSA-N 1 0 279.355 3.202 20 10 CGCDRO c1cc(N2CCCC2)ccc1C[N@@H+]1C[C@H]2CC[C@@H]1C2 ZINC001204322665 812612400 /nfs/dbraw/zinc/61/24/00/812612400.db2.gz VGHFTYLGJPSYCV-DOTOQJQBSA-N 1 0 256.393 3.271 20 10 CGCDRO CC(C)(O)[C@H]1CCC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001204328023 812614270 /nfs/dbraw/zinc/61/42/70/812614270.db2.gz AWPNHMKPONWSPT-QGZVFWFLSA-N 1 0 288.435 3.022 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CC[C@@H](C(C)C)C2)c(O)c1 ZINC001204388400 812626359 /nfs/dbraw/zinc/62/63/59/812626359.db2.gz BUTCMAATPIJSFX-CYBMUJFWSA-N 1 0 263.381 3.187 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)c1O ZINC001204892075 812766834 /nfs/dbraw/zinc/76/68/34/812766834.db2.gz UVQSMCLMMBEVAP-DZGCQCFKSA-N 1 0 275.392 3.474 20 10 CGCDRO Cc1cc(CN2C[C@@H]([NH3+])C3(CC3)C2)c(C)n1-c1ccccc1 ZINC001204904413 812770230 /nfs/dbraw/zinc/77/02/30/812770230.db2.gz PXWQECRYACKSES-GOSISDBHSA-N 1 0 295.430 3.017 20 10 CGCDRO C[C@@H]1CC[C@@H](C[NH3+])N(Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001205840882 813104699 /nfs/dbraw/zinc/10/46/99/813104699.db2.gz INJTUKCXMNTNPO-CJNGLKHVSA-N 1 0 290.451 3.249 20 10 CGCDRO Cc1cc(CN2CC[C@@H](C)[C@H]([NH3+])C2)c(C)n1-c1ccccc1 ZINC001206036709 813175885 /nfs/dbraw/zinc/17/58/85/813175885.db2.gz ONRYRRNQZFDEDT-AUUYWEPGSA-N 1 0 297.446 3.263 20 10 CGCDRO CC(C)c1ccc(O)c(C[N@H+](C)[C@@H]2CN3CCC2CC3)c1 ZINC001207252699 813521603 /nfs/dbraw/zinc/52/16/03/813521603.db2.gz RSOYQQISXVWLKH-QGZVFWFLSA-N 1 0 288.435 3.042 20 10 CGCDRO Cc1cccc(CC[N@@H+]2CCc3cccc(O)c3C2)c1 ZINC001207537248 813590539 /nfs/dbraw/zinc/59/05/39/813590539.db2.gz ZCLSTQQMZBYRFR-UHFFFAOYSA-N 1 0 267.372 3.301 20 10 CGCDRO CC1(C)CCC[C@H](C[NH2+]Cc2ccc(Cl)cc2O)O1 ZINC001207735722 813641134 /nfs/dbraw/zinc/64/11/34/813641134.db2.gz OXDSYQCXLQAKSJ-CYBMUJFWSA-N 1 0 283.799 3.483 20 10 CGCDRO COc1cc(C)cc(C[NH2+]C[C@H]2OCc3ccccc32)c1O ZINC001207806310 813655010 /nfs/dbraw/zinc/65/50/10/813655010.db2.gz SZWDHLSXKWGJPF-QGZVFWFLSA-N 1 0 299.370 3.070 20 10 CGCDRO CC[N@H+](CCC(C)(C)OC)Cc1ccccc1O ZINC001209409965 814017955 /nfs/dbraw/zinc/01/79/55/814017955.db2.gz GFYKHBKQDIXCMM-UHFFFAOYSA-N 1 0 251.370 3.029 20 10 CGCDRO C[C@@H]1C[C@H]1C[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001209421452 814022151 /nfs/dbraw/zinc/02/21/51/814022151.db2.gz PUAVGDOGMFBYAY-ZBFHGGJFSA-N 1 0 258.409 3.375 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC001209516200 814071977 /nfs/dbraw/zinc/07/19/77/814071977.db2.gz CNYVSXARLHRSFS-UHFFFAOYSA-N 1 0 298.430 3.298 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC001209519458 814072532 /nfs/dbraw/zinc/07/25/32/814072532.db2.gz VMLBGWRKLCVDQH-UHFFFAOYSA-N 1 0 284.403 3.051 20 10 CGCDRO CC(C)[PH+](CCNC(=O)Cc1ccc(N)cc1)C(C)C ZINC001221256674 816308144 /nfs/dbraw/zinc/30/81/44/816308144.db2.gz HWAGGIHZGPFQBB-UHFFFAOYSA-N 1 0 294.379 3.226 20 10 CGCDRO Cc1cccc(C[N@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)c1O ZINC001231591706 818131250 /nfs/dbraw/zinc/13/12/50/818131250.db2.gz KOMFNZMNGVUJLT-BETUJISGSA-N 1 0 267.319 3.178 20 10 CGCDRO Cc1cccc(CN2CCCCC(F)(F)C2)c1O ZINC001231591033 818131430 /nfs/dbraw/zinc/13/14/30/818131430.db2.gz QOTRXKJQSSTCSA-UHFFFAOYSA-N 1 0 255.308 3.322 20 10 CGCDRO Cc1cc(C)c(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)c(O)c1 ZINC001231841459 818185773 /nfs/dbraw/zinc/18/57/73/818185773.db2.gz BDBPRYUFECLRQR-PBHICJAKSA-N 1 0 275.392 3.010 20 10 CGCDRO Cc1cc(C)c(C[N@@H+]2CCC(=O)[C@H]3CCCC[C@@H]32)c(O)c1 ZINC001231843015 818186425 /nfs/dbraw/zinc/18/64/25/818186425.db2.gz SCTGKEVDBJRNTE-HOCLYGCPSA-N 1 0 287.403 3.343 20 10 CGCDRO Cc1cc(C)c(C[NH+]2CC(c3cccnc3)C2)c(O)c1 ZINC001231847496 818187045 /nfs/dbraw/zinc/18/70/45/818187045.db2.gz ZKFSSHULTDMLOH-UHFFFAOYSA-N 1 0 268.360 3.003 20 10 CGCDRO Cc1cc(C)c(C[N@@H+](C(C)C)C2CCOCC2)c(O)c1 ZINC001231847787 818187279 /nfs/dbraw/zinc/18/72/79/818187279.db2.gz DHHREBHQVNYTMO-UHFFFAOYSA-N 1 0 277.408 3.398 20 10 CGCDRO COc1cc(N(C)C)ccc1C[N@H+](C)CC1CC(F)(F)C1 ZINC001231853936 818188514 /nfs/dbraw/zinc/18/85/14/818188514.db2.gz VAGOKUSURTVVKN-UHFFFAOYSA-N 1 0 298.377 3.238 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@]3(CCO3)C2)cc1Cl ZINC001231870569 818194036 /nfs/dbraw/zinc/19/40/36/818194036.db2.gz JXAVDFVZUARRIB-HNNXBMFYSA-N 1 0 281.783 3.109 20 10 CGCDRO CCCOC1C[NH+](Cc2ccc3ccccc3c2O)C1 ZINC001231880715 818200189 /nfs/dbraw/zinc/20/01/89/818200189.db2.gz FJAUJZJQWZAQRD-UHFFFAOYSA-N 1 0 271.360 3.156 20 10 CGCDRO CC[N@H+](Cc1ccccc1O)Cc1cnc(F)cc1C ZINC001231984050 818223305 /nfs/dbraw/zinc/22/33/05/818223305.db2.gz LOEOZVUEHUGAMS-UHFFFAOYSA-N 1 0 274.339 3.257 20 10 CGCDRO CC[C@H]1CCC[N@@H+]1Cc1cc(Cl)c(OC)cc1O ZINC001232265088 818297591 /nfs/dbraw/zinc/29/75/91/818297591.db2.gz QEIZIZMHBITUNE-NSHDSACASA-N 1 0 269.772 3.429 20 10 CGCDRO Oc1cc(O)c(C[NH+]2CC3CCC(CC3)C2)cc1Cl ZINC001232262400 818298237 /nfs/dbraw/zinc/29/82/37/818298237.db2.gz FZPBWLYBQCDBRA-UHFFFAOYSA-N 1 0 281.783 3.373 20 10 CGCDRO C[N@H+](Cc1ccccc1O)Cc1ccc(O)c2ncccc12 ZINC001232277834 818302673 /nfs/dbraw/zinc/30/26/73/818302673.db2.gz VPXOOVQMBHDVCR-UHFFFAOYSA-N 1 0 294.354 3.278 20 10 CGCDRO C[N@H+](Cc1ccc(OC(F)F)nc1)Cc1ccccc1O ZINC001232957940 818483979 /nfs/dbraw/zinc/48/39/79/818483979.db2.gz QWYRMWXIQXVKBD-UHFFFAOYSA-N 1 0 294.301 3.021 20 10 CGCDRO Cc1cc(C)c(C[N@H+](C)Cc2ccccc2O)cn1 ZINC001233008094 818500595 /nfs/dbraw/zinc/50/05/95/818500595.db2.gz AJZGRPGNTZTZNN-UHFFFAOYSA-N 1 0 256.349 3.036 20 10 CGCDRO Cc1ccc(C[N@@H+](C)Cc2cc(O)c(O)c(O)c2)cc1C ZINC001233015301 818503040 /nfs/dbraw/zinc/50/30/40/818503040.db2.gz JBCNKHISADHZDO-UHFFFAOYSA-N 1 0 287.359 3.052 20 10 CGCDRO Cc1cc(Br)cc(C[NH+]2CC(C)(C)C2)c1O ZINC001233107523 818524392 /nfs/dbraw/zinc/52/43/92/818524392.db2.gz ZRNZGCBSPNIBMP-UHFFFAOYSA-N 1 0 284.197 3.305 20 10 CGCDRO CC(C)(C)c1ccc(O)c(C[NH+]2CCC3(COC3)CC2)c1 ZINC001233284044 818565468 /nfs/dbraw/zinc/56/54/68/818565468.db2.gz FVQRKAYZMJILSG-UHFFFAOYSA-N 1 0 289.419 3.302 20 10 CGCDRO C[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2O)C[C@H](C)O1 ZINC001233451347 818623332 /nfs/dbraw/zinc/62/33/32/818623332.db2.gz HHRKKADTWCRDAE-AOOOYVTPSA-N 1 0 289.297 3.020 20 10 CGCDRO CCO[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233455634 818624844 /nfs/dbraw/zinc/62/48/44/818624844.db2.gz SGBLRPFOVOZJNE-GFCCVEGCSA-N 1 0 289.297 3.022 20 10 CGCDRO CC[N@H+](Cc1ccc(C)cc1)Cc1cc(O)c(O)cc1O ZINC001233487012 818625209 /nfs/dbraw/zinc/62/52/09/818625209.db2.gz LMLVVQCNEJTNJG-UHFFFAOYSA-N 1 0 287.359 3.134 20 10 CGCDRO CCC[N@H+](Cc1ccccc1)Cc1cc(O)c(O)cc1O ZINC001233485293 818625793 /nfs/dbraw/zinc/62/57/93/818625793.db2.gz PUAGBFOTOYLXAZ-UHFFFAOYSA-N 1 0 287.359 3.216 20 10 CGCDRO Oc1c(C[NH+]2CCCCC2)cccc1OC(F)(F)F ZINC001233728643 818691876 /nfs/dbraw/zinc/69/18/76/818691876.db2.gz XYZZVLNCJXPIDM-UHFFFAOYSA-N 1 0 275.270 3.277 20 10 CGCDRO CC1(C)C[NH+](Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233726383 818692380 /nfs/dbraw/zinc/69/23/80/818692380.db2.gz CSBWPSMTFLLHBW-UHFFFAOYSA-N 1 0 275.270 3.133 20 10 CGCDRO COc1ccc2ccc(O)c(C[NH+]3CCC(F)CC3)c2c1 ZINC001234518331 818871493 /nfs/dbraw/zinc/87/14/93/818871493.db2.gz HGTBHBADOPIPLF-UHFFFAOYSA-N 1 0 289.350 3.488 20 10 CGCDRO COc1ccc2ccc(O)c(C[N@@H+]3C[C@@H](C)[C@@H](F)C3)c2c1 ZINC001234525898 818874486 /nfs/dbraw/zinc/87/44/86/818874486.db2.gz MYECSWHSCKZZDG-BZNIZROVSA-N 1 0 289.350 3.344 20 10 CGCDRO COc1ccc2ccc(O)c(C[NH+]3CC4CC(C4)C3)c2c1 ZINC001234568948 818882238 /nfs/dbraw/zinc/88/22/38/818882238.db2.gz HXHGGQUTNYHRIF-UHFFFAOYSA-N 1 0 283.371 3.396 20 10 CGCDRO Oc1c(C[NH+]2CC=CC2)cccc1-c1ccccc1 ZINC001234989254 818969798 /nfs/dbraw/zinc/96/97/98/818969798.db2.gz BTARREXVXAPACP-UHFFFAOYSA-N 1 0 251.329 3.431 20 10 CGCDRO COC(=O)[C@H](C)N(C)Cc1cccc(-c2ccccc2)c1O ZINC001234996439 818972505 /nfs/dbraw/zinc/97/25/05/818972505.db2.gz HNPKXFCEXMDUAQ-ZDUSSCGKSA-N 1 0 299.370 3.053 20 10 CGCDRO CC(C)(C)c1ccc(C[NH+]2CCC3(COC3)CC2)c(O)c1 ZINC001235674593 819135526 /nfs/dbraw/zinc/13/55/26/819135526.db2.gz GZONWWWGPPESDM-UHFFFAOYSA-N 1 0 289.419 3.302 20 10 CGCDRO C[N@H+](Cc1ccc(C(C)(C)C)cc1O)[C@@H]1CCCOC1 ZINC001235679435 819138707 /nfs/dbraw/zinc/13/87/07/819138707.db2.gz FGCXQOYKSFRPJP-OAHLLOKOSA-N 1 0 277.408 3.301 20 10 CGCDRO CC(C)(C)c1ccc(CN2CC3(C2)CCCC[NH2+]3)c(O)c1 ZINC001235921158 819222068 /nfs/dbraw/zinc/22/20/68/819222068.db2.gz CNYPPBVNMAEXHQ-UHFFFAOYSA-N 1 0 288.435 3.018 20 10 CGCDRO Nc1ccc(C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)cc1 ZINC001235933633 819230820 /nfs/dbraw/zinc/23/08/20/819230820.db2.gz IDXKTMNUIOWJDR-HNNXBMFYSA-N 1 0 270.351 3.397 20 10 CGCDRO Cc1cc(CN2CCC[NH2+][C@@H](C)C2)c(C)n1-c1ccccc1 ZINC001236094568 819311568 /nfs/dbraw/zinc/31/15/68/819311568.db2.gz FTTHFSUAOFNIAX-HNNXBMFYSA-N 1 0 297.446 3.278 20 10 CGCDRO CCCC[C@@H]1CN(Cc2ccc(C(C)C)cc2O)CC[NH2+]1 ZINC001236140794 819341308 /nfs/dbraw/zinc/34/13/08/819341308.db2.gz GWMNTLVOFRIJKY-QGZVFWFLSA-N 1 0 290.451 3.480 20 10 CGCDRO CN(Cc1cc(C(C)(C)C)ccc1O)[C@]1(C)CCC[NH2+]C1 ZINC001236205528 819367525 /nfs/dbraw/zinc/36/75/25/819367525.db2.gz GKASKXJXOZLCQE-GOSISDBHSA-N 1 0 290.451 3.264 20 10 CGCDRO Nc1ccc2c(c1)C[N@@H+](Cc1cc(Cl)ccc1O)CC2 ZINC001236232003 819393585 /nfs/dbraw/zinc/39/35/85/819393585.db2.gz KJOQFGCQTTUEFD-UHFFFAOYSA-N 1 0 288.778 3.186 20 10 CGCDRO C[C@H]1[C@@H]([NH3+])CCCN1Cc1c(O)ccc(Cl)c1Cl ZINC001236417462 819463402 /nfs/dbraw/zinc/46/34/02/819463402.db2.gz DRTAZUJWDKPWGP-KWQFWETISA-N 1 0 289.206 3.011 20 10 CGCDRO CC(C)N(Cc1cc2ccccc2cc1O)[C@H]1CC[NH2+]C1 ZINC001236529519 819521198 /nfs/dbraw/zinc/52/11/98/819521198.db2.gz NUVOILZDFXICDS-KRWDZBQOSA-N 1 0 284.403 3.118 20 10 CGCDRO CCOCC1CC[NH+](Cc2ccc(CC)cc2O)CC1 ZINC001236792325 819595314 /nfs/dbraw/zinc/59/53/14/819595314.db2.gz OYKOMKFUTIBZNR-UHFFFAOYSA-N 1 0 277.408 3.203 20 10 CGCDRO CCc1ccc(C[N@H+](CC)CCN2CCCCC2)c(O)c1 ZINC001236792332 819595824 /nfs/dbraw/zinc/59/58/24/819595824.db2.gz PIJSVBZCKMFXBE-UHFFFAOYSA-N 1 0 290.451 3.262 20 10 CGCDRO O=C1CC[N@H+](Cc2cc3ccccc3cc2O)CC[C@@H]1F ZINC001236826207 819608588 /nfs/dbraw/zinc/60/85/88/819608588.db2.gz IKFKWGRKAWFZCY-HNNXBMFYSA-N 1 0 287.334 3.048 20 10 CGCDRO Oc1cc2ccccc2cc1C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC001236826459 819609309 /nfs/dbraw/zinc/60/93/09/819609309.db2.gz KCRFETJGPHFTJH-GOSISDBHSA-N 1 0 283.371 3.158 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CO)c(O)c1 ZINC001237046180 819649839 /nfs/dbraw/zinc/64/98/39/819649839.db2.gz RASTYKPKKPKCDJ-CJNGLKHVSA-N 1 0 277.408 3.108 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2CCCC[C@@](O)(CF)C2)c(O)c1 ZINC001237046129 819651050 /nfs/dbraw/zinc/65/10/50/819651050.db2.gz PYSMQSGZRXXAHO-QGZVFWFLSA-N 1 0 295.398 3.202 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2CCN3CCCC[C@H]3C2)c(O)c1 ZINC001237052883 819652054 /nfs/dbraw/zinc/65/20/54/819652054.db2.gz DXPDLGAQIROSHT-KRWDZBQOSA-N 1 0 288.435 3.186 20 10 CGCDRO CC(C)c1ccc(C[N@@H+](CCCO)C(C)C)c(O)c1 ZINC001237052929 819652131 /nfs/dbraw/zinc/65/21/31/819652131.db2.gz FJNIRSOBHJQYFT-UHFFFAOYSA-N 1 0 265.397 3.108 20 10 CGCDRO CC(C)c1ccc(CN2CCC([NH+]3CCC3)CC2)c(O)c1 ZINC001237051356 819652662 /nfs/dbraw/zinc/65/26/62/819652662.db2.gz KYIPYNKNUIPOPV-UHFFFAOYSA-N 1 0 288.435 3.186 20 10 CGCDRO COCC[N@H+](Cc1ccc(C(C)C)cc1O)C(C)C ZINC001237053907 819654963 /nfs/dbraw/zinc/65/49/63/819654963.db2.gz QWTMGNHFBIRPAJ-UHFFFAOYSA-N 1 0 265.397 3.372 20 10 CGCDRO CC(C)C[N@H+](C)Cc1cc(C(F)(F)F)ccc1O ZINC001237135558 819675459 /nfs/dbraw/zinc/67/54/59/819675459.db2.gz KAOYVCIOFUOMCS-UHFFFAOYSA-N 1 0 261.287 3.499 20 10 CGCDRO [O-]c1c(Cl)cccc1C[N@H+](C1CCC1)[C@H]1CCC[NH2+]C1 ZINC001237155297 819681482 /nfs/dbraw/zinc/68/14/82/819681482.db2.gz IFGMRYSNSZHMFR-AWEZNQCLSA-N 1 0 294.826 3.152 20 10 CGCDRO Cc1cccc(O)c1C[N@H+]1CCC(=O)[C@@H](C)C12CCCC2 ZINC001237495208 819764075 /nfs/dbraw/zinc/76/40/75/819764075.db2.gz NGPMYKIKDIVQOQ-CQSZACIVSA-N 1 0 287.403 3.424 20 10 CGCDRO COc1cc(C[N@@H+]2CC[C@H](C)C[C@H]2C)c(O)c(OC)c1 ZINC001237677070 819804077 /nfs/dbraw/zinc/80/40/77/819804077.db2.gz WPAGCYAGWHOLFF-NWDGAFQWSA-N 1 0 279.380 3.030 20 10 CGCDRO COc1cc(C[N@@H+]2CCCC3(CCC3)C2)c(O)c(OC)c1 ZINC001237682786 819806736 /nfs/dbraw/zinc/80/67/36/819806736.db2.gz DDIBOCURLDOJPN-UHFFFAOYSA-N 1 0 291.391 3.176 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H]3CCCO[C@H]3C2)c1O ZINC001237679953 819807231 /nfs/dbraw/zinc/80/72/31/819807231.db2.gz MSZPULHEGAOTGH-WFASDCNBSA-N 1 0 295.810 3.355 20 10 CGCDRO C[C@@H]1C[C@@H](F)CN1Cc1cc(F)c(Cl)cc1O ZINC001237934119 819885143 /nfs/dbraw/zinc/88/51/43/819885143.db2.gz HLQWPVZVXSYAAT-VXNVDRBHSA-N 1 0 261.699 3.117 20 10 CGCDRO Cc1cc(F)cc(C[N@@H+]2CCC[C@](C)(F)C2)c1O ZINC001238059504 819921404 /nfs/dbraw/zinc/92/14/04/819921404.db2.gz DGOVOSCATNLOPE-AWEZNQCLSA-N 1 0 255.308 3.164 20 10 CGCDRO C[C@H]1SCC[N@H+](Cc2ccc(Cl)cc2O)[C@H]1C ZINC001474369535 937855249 /nfs/dbraw/zinc/85/52/49/937855249.db2.gz MNPIWEDAZZRZJP-VHSXEESVSA-N 1 0 271.813 3.371 20 10 CGCDRO Cc1cccc(C[NH2+][C@H]2CCS[C@@H](C)C2)c1O ZINC001343287457 936494091 /nfs/dbraw/zinc/49/40/91/936494091.db2.gz RQACKQMHWQEQRO-AAEUAGOBSA-N 1 0 251.395 3.074 20 10 CGCDRO CCOc1ccc(N(CC)CC[C@@H]2CCOC2)cc1 ZINC001344126024 936526870 /nfs/dbraw/zinc/52/68/70/936526870.db2.gz XPDCUGFARGVPSV-CQSZACIVSA-N 1 0 263.381 3.338 20 10 CGCDRO CO[C@@H]1CC[C@@H]([NH2+]Cc2c(O)cc(C)cc2Cl)C1 ZINC001345153687 936803974 /nfs/dbraw/zinc/80/39/74/936803974.db2.gz DQNCKUFMIMWRLG-GHMZBOCLSA-N 1 0 269.772 3.011 20 10 CGCDRO C[C@@H]1COc2ccccc2C[N@@H+]1Cc1ccc(N)cc1 ZINC001352790624 937049281 /nfs/dbraw/zinc/04/92/81/937049281.db2.gz SKVYMARRXIAJMD-CYBMUJFWSA-N 1 0 268.360 3.052 20 10 CGCDRO Nc1ccc(CN2CCc3c(F)cc(F)cc3C2)cc1 ZINC001356083415 937152698 /nfs/dbraw/zinc/15/26/98/937152698.db2.gz PCPAYRURXSIFPZ-UHFFFAOYSA-N 1 0 274.314 3.105 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH+]2CC3(CCC3)C2)cc1 ZINC001308808041 928544975 /nfs/dbraw/zinc/54/49/75/928544975.db2.gz JNMQJTLUKPBGJD-HWKANZROSA-N 1 0 256.393 3.252 20 10 CGCDRO CCCOc1ccc(C[NH2+]C[C@@H](OC)C2CC2)cc1C ZINC001474161407 937842017 /nfs/dbraw/zinc/84/20/17/937842017.db2.gz QMBSIYGPUZBHTL-QGZVFWFLSA-N 1 0 277.408 3.298 20 10 CGCDRO C[C@@H]([NH2+]Cc1nccn1-c1ccccc1)c1ccccc1O ZINC001460634445 937537664 /nfs/dbraw/zinc/53/76/64/937537664.db2.gz BVBNWINKUZMOCQ-CQSZACIVSA-N 1 0 293.370 3.429 20 10 CGCDRO CCC[C@@H](C)[C@@H](CO)[NH2+]Cc1c(C)c2ccccc2n1C ZINC001461622249 937588886 /nfs/dbraw/zinc/58/88/86/937588886.db2.gz XSGYQOBOCQRPPS-CZUORRHYSA-N 1 0 288.435 3.373 20 10 CGCDRO OCC[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)C1CCCC1 ZINC001461786707 937597101 /nfs/dbraw/zinc/59/71/01/937597101.db2.gz INXGUUXODOPBGW-KRWDZBQOSA-N 1 0 289.419 3.042 20 10 CGCDRO Oc1cc(Cl)ccc1C[NH2+][C@@H]1CCC[C@@H](F)C1 ZINC001462362710 937635378 /nfs/dbraw/zinc/63/53/78/937635378.db2.gz CFYDJBDIPWDPGW-VXGBXAGGSA-N 1 0 257.736 3.416 20 10 CGCDRO COc1ccc(N2CCC[N@H+](CC3CC(C)C3)CC2)cc1 ZINC001307424532 932951059 /nfs/dbraw/zinc/95/10/59/932951059.db2.gz STSPMEJRQBSFOX-UHFFFAOYSA-N 1 0 288.435 3.253 20 10 CGCDRO COC[C@H](C[NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(C)C ZINC001307695822 932988401 /nfs/dbraw/zinc/98/84/01/932988401.db2.gz QORYKIPEKASRJD-HOCLYGCPSA-N 1 0 278.440 3.322 20 10 CGCDRO CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(Cl)cc2[O-])[C@H](C)C1 ZINC001308569549 933134988 /nfs/dbraw/zinc/13/49/88/933134988.db2.gz YHRVJXGRIKOGHA-DOMZBBRYSA-N 1 0 296.842 3.208 20 10 CGCDRO CC(C)c1ccc(O)c(CN2CC[NH+](C(C)C)CC2)c1 ZINC001308661454 933152316 /nfs/dbraw/zinc/15/23/16/933152316.db2.gz BALVWMXTHOHUTD-UHFFFAOYSA-N 1 0 276.424 3.042 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CC(C)(C)[C@@H]2C2CC2)c1O ZINC001308805338 933180396 /nfs/dbraw/zinc/18/03/96/933180396.db2.gz WRQFKMUHDSIQOV-INIZCTEOSA-N 1 0 275.392 3.330 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2c[nH]nc2-c2ccsc2)c1 ZINC001308869979 933193976 /nfs/dbraw/zinc/19/39/76/933193976.db2.gz UKKRQZRDQQLXOJ-UHFFFAOYSA-N 1 0 299.399 3.442 20 10 CGCDRO COc1cc(C)cc(C[NH2+]C[C@@H](C)C(C)(C)C)c1O ZINC001308944295 933209223 /nfs/dbraw/zinc/20/92/23/933209223.db2.gz VADIPDPTFRNEHO-GFCCVEGCSA-N 1 0 265.397 3.481 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@H](C)Cc1cnccn1 ZINC001321022053 934136147 /nfs/dbraw/zinc/13/61/47/934136147.db2.gz AXNOPQRVNIWHKE-UMVBOHGHSA-N 1 0 297.402 3.260 20 10 CGCDRO CS[C@H]1CC[C@H]([N@H+](C)Cc2cc(C)ccc2O)C1 ZINC001324753486 934564282 /nfs/dbraw/zinc/56/42/82/934564282.db2.gz VZWUVEJXRXOIPM-KBPBESRZSA-N 1 0 265.422 3.417 20 10 CGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]C[C@H]1CCCO1 ZINC001324848781 934865390 /nfs/dbraw/zinc/86/53/90/934865390.db2.gz RQAHVGUUXFYZCC-YNEHKIRRSA-N 1 0 261.365 3.018 20 10 CGCDRO CCc1cccc(C[NH2+][C@H]2CCC[C@H](F)C2)c1O ZINC001327196275 935043394 /nfs/dbraw/zinc/04/33/94/935043394.db2.gz ZKKWXCIEZJEGSV-KBPBESRZSA-N 1 0 251.345 3.325 20 10 CGCDRO CN(C)c1cc(F)c(C[NH2+]Cc2ccc(F)cc2)cc1F ZINC001329009615 935178218 /nfs/dbraw/zinc/17/82/18/935178218.db2.gz UVIPUWLSBDWQAT-UHFFFAOYSA-N 1 0 294.320 3.460 20 10 CGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]CCC1(CO)CCC1 ZINC001329675679 935239095 /nfs/dbraw/zinc/23/90/95/935239095.db2.gz RIWLHDYPRIUJJO-UONOGXRCSA-N 1 0 289.419 3.391 20 10 CGCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CC[C@H](CF)C2)c1 ZINC001331035929 935343906 /nfs/dbraw/zinc/34/39/06/935343906.db2.gz IQEVKOARQVHTIO-LLVKDONJSA-N 1 0 281.371 3.187 20 10 CGCDRO Nc1ccc(C[NH+]2CCC(OC3CCCC3)CC2)cc1 ZINC001334754235 936112148 /nfs/dbraw/zinc/11/21/48/936112148.db2.gz MMKFZZLTHRCZSI-UHFFFAOYSA-N 1 0 274.408 3.192 20 10 CGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001334755334 936112151 /nfs/dbraw/zinc/11/21/51/936112151.db2.gz MMQRAIYLGBFNJB-OIIAOMQTSA-N 1 0 285.387 3.014 20 10 CGCDRO C[N@H+](Cc1ccc(N)cc1)[C@@H]1CCCN(c2ccccc2)C1 ZINC001336118001 936176920 /nfs/dbraw/zinc/17/69/20/936176920.db2.gz ULLUJRBFOUAFKV-LJQANCHMSA-N 1 0 295.430 3.370 20 10 CGCDRO CC1(C)Nc2ccccc2[C@@H]1[NH2+]Cc1ccc(N)cc1 ZINC001336285861 936186197 /nfs/dbraw/zinc/18/61/97/936186197.db2.gz NDJADHBCODTHKK-INIZCTEOSA-N 1 0 267.376 3.304 20 10 CGCDRO CCOCc1cc(C[NH2+]C2CCCC2)ccc1OC ZINC001473913905 937829640 /nfs/dbraw/zinc/82/96/40/937829640.db2.gz PVHFWOVQRWBLGO-UHFFFAOYSA-N 1 0 263.381 3.264 20 10 CGCDRO CC1(C)CCC[C@]1(O)C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001474159137 937842182 /nfs/dbraw/zinc/84/21/82/937842182.db2.gz GXJHBNZJNZOOLL-SFHVURJKSA-N 1 0 289.419 3.042 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@H+]1CCS[C@H](C)[C@H]1C ZINC001474368938 937854822 /nfs/dbraw/zinc/85/48/22/937854822.db2.gz CUIGGPPTAIIYCW-ZIAGYGMSSA-N 1 0 278.465 3.387 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2O)CCS1 ZINC001474443570 937860002 /nfs/dbraw/zinc/86/00/02/937860002.db2.gz XVWOEKWCLMAITI-SNVBAGLBSA-N 1 0 271.813 3.373 20 10 CGCDRO COc1cc(C)c(C[N@H+](CC2CC2)C2CCC2)c(O)c1 ZINC001474474139 937862009 /nfs/dbraw/zinc/86/20/09/937862009.db2.gz CZWAGKVBBFPCMO-UHFFFAOYSA-N 1 0 275.392 3.474 20 10 CGCDRO CC[C@@H](C)[C@@H](C[NH2+]Cc1ccc(N(C)C)cc1C)OC ZINC001474535813 937865542 /nfs/dbraw/zinc/86/55/42/937865542.db2.gz LARRVPRZETYYFA-CXAGYDPISA-N 1 0 278.440 3.212 20 10 CGCDRO CN(C)c1cc(F)c(C[NH2+]C2CCCCC2)cc1F ZINC001560247956 938249145 /nfs/dbraw/zinc/24/91/45/938249145.db2.gz OAIQYVKWZABALK-UHFFFAOYSA-N 1 0 268.351 3.453 20 10 CGCDRO CCCn1cncc1C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC001560444698 938258646 /nfs/dbraw/zinc/25/86/46/938258646.db2.gz BUSVMTSQXNMPQC-CQSZACIVSA-N 1 0 286.423 3.210 20 10 CGCDRO C[C@H](CN1CCC(C)CC1)[NH2+]Cc1c(O)cccc1Cl ZINC001560532007 938261757 /nfs/dbraw/zinc/26/17/57/938261757.db2.gz RPYLVTGHMUKRSJ-CYBMUJFWSA-N 1 0 296.842 3.256 20 10 CGCDRO COc1ccc(C[NH2+][C@]2(C)CC2(C)C)cc1Cn1cccn1 ZINC001560540318 938262336 /nfs/dbraw/zinc/26/23/36/938262336.db2.gz KQPPIXCIYNNWSF-GOSISDBHSA-N 1 0 299.418 3.218 20 10 CGCDRO CC1(C)CN(C(=O)C2=CC[C@@H]([NH3+])C2)c2cccc(Cl)c21 ZINC001576447995 962460808 /nfs/dbraw/zinc/46/08/08/962460808.db2.gz VCVKGBQTKRJOQM-LLVKDONJSA-N 1 0 290.794 3.012 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCc3nc(C(C)C)ncc3C2)c1O ZINC000143365415 346113036 /nfs/dbraw/zinc/11/30/36/346113036.db2.gz CUPBIHLNLCXJBD-UHFFFAOYSA-N 1 0 297.402 3.172 20 10 CGCDRO C[C@H](C[NH2+]Cc1ccc(Br)cc1O)C1CC1 ZINC000691428965 799784099 /nfs/dbraw/zinc/78/40/99/799784099.db2.gz UIEDUCZRYXJUDV-SECBINFHSA-N 1 0 284.197 3.290 20 10 CGCDRO C[C@@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccccc1O ZINC000134790343 371366256 /nfs/dbraw/zinc/36/62/56/371366256.db2.gz KONUQGQVASVLKN-XTBFLFJDSA-N 1 0 273.376 3.000 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cccnc1OC)c1ccc(N(C)C)cc1 ZINC000151152623 371577880 /nfs/dbraw/zinc/57/78/80/371577880.db2.gz PAFVFONKBLQXRB-QGZVFWFLSA-N 1 0 299.418 3.397 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2COc3ccccc32)cc1C ZINC000288580144 371741904 /nfs/dbraw/zinc/74/19/04/371741904.db2.gz NSBRZEPAGGOHOY-OAHLLOKOSA-N 1 0 283.371 3.275 20 10 CGCDRO CCCCN(C)C[C@H](C)[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000289820182 371832725 /nfs/dbraw/zinc/83/27/25/371832725.db2.gz OYLMHUSBDIDCCX-UONOGXRCSA-N 1 0 294.439 3.172 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](O)c1ccsc1)c1ccccc1O ZINC000155950437 371954661 /nfs/dbraw/zinc/95/46/61/371954661.db2.gz VFFFBINNLUXIRE-DZGCQCFKSA-N 1 0 277.389 3.228 20 10 CGCDRO Cc1cccc(C[NH2+]C[C@@H](c2cccs2)N(C)C)c1O ZINC000159730895 372173758 /nfs/dbraw/zinc/17/37/58/372173758.db2.gz ASVUUGQWQLSKAN-AWEZNQCLSA-N 1 0 290.432 3.155 20 10 CGCDRO CO[C@@H](C[NH2+][C@@H](C)c1cc(Cl)ccc1O)C1CC1 ZINC000293567911 372413248 /nfs/dbraw/zinc/41/32/48/372413248.db2.gz BBASRKJNJBJFFP-XPTSAGLGSA-N 1 0 269.772 3.121 20 10 CGCDRO C[C@H](CO)C[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000293623004 372427362 /nfs/dbraw/zinc/42/73/62/372427362.db2.gz HCQUCGHUNJNZSE-MAUKXSAKSA-N 1 0 299.414 3.284 20 10 CGCDRO CO[C@@H](C[NH2+][C@H](C)c1c(C)cc(C)cc1O)C1CC1 ZINC000293713143 372458902 /nfs/dbraw/zinc/45/89/02/372458902.db2.gz MXHPQUGDIRKMCH-DOMZBBRYSA-N 1 0 263.381 3.085 20 10 CGCDRO CO[C@H](C[NH2+][C@@H](C)c1ccc(C)c(C)c1O)C1CC1 ZINC000293747617 372467850 /nfs/dbraw/zinc/46/78/50/372467850.db2.gz QAFGVDKKGRKIQU-SWLSCSKDSA-N 1 0 263.381 3.085 20 10 CGCDRO CSC(C)(C)C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000168814507 372621149 /nfs/dbraw/zinc/62/11/49/372621149.db2.gz TWIQWWUDGKNNQI-SECBINFHSA-N 1 0 257.374 3.324 20 10 CGCDRO CC[C@H](CSC)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000168862588 372621199 /nfs/dbraw/zinc/62/11/99/372621199.db2.gz BYDBDKGRPORQTP-GXSJLCMTSA-N 1 0 257.374 3.324 20 10 CGCDRO CCCOc1ccc(C[N@@H+]2CC[C@@](C)(COC)C2)c(O)c1 ZINC000294298650 372642124 /nfs/dbraw/zinc/64/21/24/372642124.db2.gz UVWHBLRJAKZPHR-QGZVFWFLSA-N 1 0 293.407 3.039 20 10 CGCDRO CSCC1CCC([NH2+]Cc2ccccc2O)CC1 ZINC000295173087 372695737 /nfs/dbraw/zinc/69/57/37/372695737.db2.gz LRJXWSAEPSNMAU-UHFFFAOYSA-N 1 0 265.422 3.404 20 10 CGCDRO COCc1cccc(C[NH2+][C@H]2CCc3cccc(O)c32)c1 ZINC000295875187 372944106 /nfs/dbraw/zinc/94/41/06/372944106.db2.gz HJGKXHSUOJWAKU-INIZCTEOSA-N 1 0 283.371 3.316 20 10 CGCDRO CO[C@H](C[NH2+][C@@H]1CCc2cccc(O)c21)c1ccccc1 ZINC000295880207 372946129 /nfs/dbraw/zinc/94/61/29/372946129.db2.gz HQYKFRWQWDIHSP-NVXWUHKLSA-N 1 0 283.371 3.357 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1cccnc1 ZINC000296210951 373053723 /nfs/dbraw/zinc/05/37/23/373053723.db2.gz ZHRGUQSTGROXCI-BXUZGUMPSA-N 1 0 254.333 3.125 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CCCC(C)(F)F)cc1F ZINC000296162793 373040327 /nfs/dbraw/zinc/04/03/27/373040327.db2.gz WRAJSUZLGAWLGV-UHFFFAOYSA-N 1 0 274.330 3.417 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCC(C)(C)CO)c(O)c1 ZINC000296530879 373165399 /nfs/dbraw/zinc/16/53/99/373165399.db2.gz QKEPDFKPPDKXOA-ZDUSSCGKSA-N 1 0 265.397 3.068 20 10 CGCDRO Cc1cc(N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc[nH+]1 ZINC000302530613 373889660 /nfs/dbraw/zinc/88/96/60/373889660.db2.gz CNWKCFFNMVEDQA-HNNXBMFYSA-N 1 0 297.402 3.400 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+][C@H]1CCCc2occc21 ZINC000180450473 374009256 /nfs/dbraw/zinc/00/92/56/374009256.db2.gz FDOIPEGEVKODTN-ZDUSSCGKSA-N 1 0 261.296 3.292 20 10 CGCDRO Cc1cccc(C[N@H+](C)CCc2cccs2)c1O ZINC000180476550 374012196 /nfs/dbraw/zinc/01/21/96/374012196.db2.gz PVCOUCLAVGBSKJ-UHFFFAOYSA-N 1 0 261.390 3.437 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCO[C@H](c3ccsc3)C2)c1O ZINC000180545153 374020390 /nfs/dbraw/zinc/02/03/90/374020390.db2.gz FZPWYDFYKOLTAT-HNNXBMFYSA-N 1 0 289.400 3.336 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CCC3(CCCC3)C2)c1 ZINC000180196738 373976849 /nfs/dbraw/zinc/97/68/49/373976849.db2.gz HRGKMWOQXRABMH-UHFFFAOYSA-N 1 0 261.365 3.167 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000180836970 374050706 /nfs/dbraw/zinc/05/07/06/374050706.db2.gz PHSJJFJILZHHND-AWEZNQCLSA-N 1 0 279.355 3.113 20 10 CGCDRO CC[C@H]([NH2+]CCCCCOC)c1ccccc1O ZINC000183312855 374399197 /nfs/dbraw/zinc/39/91/97/374399197.db2.gz GMDPIEBWDCYXRY-AWEZNQCLSA-N 1 0 251.370 3.250 20 10 CGCDRO COc1cccc(C[NH2+][C@@H](C)c2ccccc2O)c1OC ZINC000183431778 374414288 /nfs/dbraw/zinc/41/42/88/374414288.db2.gz PSNDAHGOHQYSMG-LBPRGKRZSA-N 1 0 287.359 3.260 20 10 CGCDRO CCOCCC1(C[NH2+][C@H](C)c2ccccc2O)CC1 ZINC000183626149 374436587 /nfs/dbraw/zinc/43/65/87/374436587.db2.gz QFNULXDULAIGIU-CYBMUJFWSA-N 1 0 263.381 3.250 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1CCCO1)c1cc2c(cc1O)CCCC2 ZINC000184851157 374565027 /nfs/dbraw/zinc/56/50/27/374565027.db2.gz HYBHJIHQTZCFCC-SWLSCSKDSA-N 1 0 275.392 3.101 20 10 CGCDRO Oc1ccccc1C[NH2+]C1(Cc2ccccc2)CC1 ZINC000187493184 375031331 /nfs/dbraw/zinc/03/13/31/375031331.db2.gz KTIBJWVSKIBYSH-UHFFFAOYSA-N 1 0 253.345 3.257 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCC[C@@H]2CCO)cc1 ZINC000188019602 375142222 /nfs/dbraw/zinc/14/22/22/375142222.db2.gz RFEUBIFONWOGAD-QGPMSJSTSA-N 1 0 290.451 3.344 20 10 CGCDRO CCc1noc(C)c1C[NH2+][C@@H](CC)c1ccccc1O ZINC000271725263 378503113 /nfs/dbraw/zinc/50/31/13/378503113.db2.gz RCCQSPXWJSZKJC-AWEZNQCLSA-N 1 0 274.364 3.492 20 10 CGCDRO C[C@H](O)[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000272477523 378646239 /nfs/dbraw/zinc/64/62/39/378646239.db2.gz BNMMFUOCVGFBRF-YOEHRIQHSA-N 1 0 297.398 3.262 20 10 CGCDRO C[C@@H]1C[C@@H](CC[NH2+]Cc2c(O)cccc2Cl)CCO1 ZINC000273051491 378736184 /nfs/dbraw/zinc/73/61/84/378736184.db2.gz KKDDEGLPBKDFCK-NEPJUHHUSA-N 1 0 283.799 3.340 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H](CO)c2ccc(F)cc2)c(O)c1 ZINC000273517940 378749782 /nfs/dbraw/zinc/74/97/82/378749782.db2.gz SXEJMZVTDGYBAQ-MLGOLLRUSA-N 1 0 289.350 3.224 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1cn[nH]c1)c1cc2c(cc1O)CCCC2 ZINC000273478858 378750555 /nfs/dbraw/zinc/75/05/55/378750555.db2.gz LIRHMUUALYRKIK-NWDGAFQWSA-N 1 0 285.391 3.406 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CC2([C@@H](O)C(C)C)CC2)c(O)c1 ZINC000273481219 378750682 /nfs/dbraw/zinc/75/06/82/378750682.db2.gz MDKRATYOVNEDCK-BBRMVZONSA-N 1 0 277.408 3.148 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CC(C)(C)C[C@@H](C)O)c(O)c1C ZINC000273542931 378752286 /nfs/dbraw/zinc/75/22/86/378752286.db2.gz YRTSIFDJWROPQV-OCCSQVGLSA-N 1 0 279.424 3.457 20 10 CGCDRO COCC[C@@H]([NH2+][C@H](C)c1ccccc1O)c1ccco1 ZINC000272862816 378714380 /nfs/dbraw/zinc/71/43/80/378714380.db2.gz NDJBPUAEYJSGRQ-TZMCWYRMSA-N 1 0 275.348 3.414 20 10 CGCDRO CO[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000273618344 378758181 /nfs/dbraw/zinc/75/81/81/378758181.db2.gz YFWJGOFFYIJRGX-DUVNUKRYSA-N 1 0 263.381 3.309 20 10 CGCDRO C[C@@H]([NH2+][C@H](C)c1ccc2ccccc2c1O)c1nncn1C ZINC000273598063 378755881 /nfs/dbraw/zinc/75/58/81/378755881.db2.gz RCQSLIVYBHOYOI-VXGBXAGGSA-N 1 0 296.374 3.086 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CC[S@](=O)C(C)(C)C)c(O)c1C ZINC000273607891 378756624 /nfs/dbraw/zinc/75/66/24/378756624.db2.gz USGMCYKEDMABKY-RBZFPXEDSA-N 1 0 297.464 3.207 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+][C@@H]1CCO[C@H](C2CC2)C1 ZINC000274035259 378766670 /nfs/dbraw/zinc/76/66/70/378766670.db2.gz BWYHDICNUNRJPR-ABAIWWIYSA-N 1 0 281.783 3.093 20 10 CGCDRO CC1(C)[C@H]([NH2+]Cc2cc(Cl)ccc2O)[C@H]2CCCO[C@H]21 ZINC000371798652 379176660 /nfs/dbraw/zinc/17/66/60/379176660.db2.gz CNYMNTFQZKTWLM-BPLDGKMQSA-N 1 0 295.810 3.339 20 10 CGCDRO C[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000277739139 379225780 /nfs/dbraw/zinc/22/57/80/379225780.db2.gz KAWLXFZIABQTPT-YJBOKZPZSA-N 1 0 288.435 3.192 20 10 CGCDRO [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000373224274 379244747 /nfs/dbraw/zinc/24/47/47/379244747.db2.gz RJTGPDBGQIEQPD-CYBMUJFWSA-N 1 0 295.810 3.294 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000375304157 379489671 /nfs/dbraw/zinc/48/96/71/379489671.db2.gz RJMFZUHOASSDIQ-HNNXBMFYSA-N 1 0 281.783 3.048 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H]3OCC[C@H]3C2)cc1 ZINC000376030273 379520101 /nfs/dbraw/zinc/52/01/01/379520101.db2.gz CGCZZACDZSKFOO-FUHWJXTLSA-N 1 0 288.435 3.144 20 10 CGCDRO CCCC[N@H+](Cc1ccccc1O)[C@@H](C)c1nnc(C)o1 ZINC000282472598 379926639 /nfs/dbraw/zinc/92/66/39/379926639.db2.gz NYZYJDQDKMQMRC-LBPRGKRZSA-N 1 0 289.379 3.447 20 10 CGCDRO CCCC[N@H+](Cc1ccnn1CC)Cc1ccccc1O ZINC000282817809 379996049 /nfs/dbraw/zinc/99/60/49/379996049.db2.gz ANLONXJOFLYHGX-UHFFFAOYSA-N 1 0 287.407 3.411 20 10 CGCDRO CCOCCC[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000284225996 380136328 /nfs/dbraw/zinc/13/63/28/380136328.db2.gz UIYSHUDFLYQLJH-ZDUSSCGKSA-N 1 0 251.370 3.086 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cc(C)nn1C)c1ccc(N(C)C)cc1 ZINC000284562905 380141050 /nfs/dbraw/zinc/14/10/50/380141050.db2.gz YKOCGINSOAYPMU-QGZVFWFLSA-N 1 0 286.423 3.035 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](C)C[C@@H](C)O)c(O)c1 ZINC000283952750 380109332 /nfs/dbraw/zinc/10/93/32/380109332.db2.gz FUVUBJYYJCJVHA-YUTCNCBUSA-N 1 0 265.397 3.067 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]CCCc2cccc(C)n2)c1 ZINC000285590070 380149799 /nfs/dbraw/zinc/14/97/99/380149799.db2.gz OVRQRNMKVNTMEY-UHFFFAOYSA-N 1 0 270.376 3.126 20 10 CGCDRO CC[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc(F)cc1[O-] ZINC000286373451 380204307 /nfs/dbraw/zinc/20/43/07/380204307.db2.gz ZRUBWGBWUJGREO-INIZCTEOSA-N 1 0 294.414 3.304 20 10 CGCDRO COc1ccc(C[NH2+]C[C@H](O)c2ccc(C)cc2)cc1C ZINC000237199413 542318030 /nfs/dbraw/zinc/31/80/30/542318030.db2.gz RMOAFBQOXCFMDT-KRWDZBQOSA-N 1 0 285.387 3.135 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)CC(C)(C)C)c1 ZINC000185481815 262304707 /nfs/dbraw/zinc/30/47/07/262304707.db2.gz OFBUSVMBEQKQHQ-CHWSQXEVSA-N 1 0 265.397 3.148 20 10 CGCDRO CCOc1ccc(C[NH2+][C@H](C)CC(C)(C)OC)c(O)c1 ZINC000742378017 572570636 /nfs/dbraw/zinc/57/06/36/572570636.db2.gz TWCPTDHHYQPHFX-GFCCVEGCSA-N 1 0 281.396 3.084 20 10 CGCDRO COCC[N@H+](Cc1ccc(C)o1)Cc1cc(C)ccc1O ZINC000093707265 392239591 /nfs/dbraw/zinc/23/95/91/392239591.db2.gz FQQVVZJDXFZHER-UHFFFAOYSA-N 1 0 289.375 3.251 20 10 CGCDRO CCOC[C@@H]1CC[N@H+](Cc2ccc(N(CC)CC)cc2)C1 ZINC000093839389 392240616 /nfs/dbraw/zinc/24/06/16/392240616.db2.gz FULDLUBOVHBZHO-QGZVFWFLSA-N 1 0 290.451 3.391 20 10 CGCDRO CCCOc1ccc(C[N@@H+]2CC[C@H](COCC)C2)c(O)c1 ZINC000093839222 392240865 /nfs/dbraw/zinc/24/08/65/392240865.db2.gz HSUNYKZZOAZPNM-AWEZNQCLSA-N 1 0 293.407 3.039 20 10 CGCDRO CO[C@H](C)C[N@H+](C)Cc1c(O)ccc2ccccc21 ZINC000285034221 392317594 /nfs/dbraw/zinc/31/75/94/392317594.db2.gz GILBOHNXTAJGTH-GFCCVEGCSA-N 1 0 259.349 3.012 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1cncs1 ZINC000122926258 392424209 /nfs/dbraw/zinc/42/42/09/392424209.db2.gz GLPYSRARNHCTNG-GFCCVEGCSA-N 1 0 287.432 3.376 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1cccc(Cl)c1[O-] ZINC000287617026 392403025 /nfs/dbraw/zinc/40/30/25/392403025.db2.gz JQOCWWBOVUARAG-SMDDNHRTSA-N 1 0 284.831 3.427 20 10 CGCDRO CCOC(C)(C)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000159187750 392579691 /nfs/dbraw/zinc/57/96/91/392579691.db2.gz GRBQQOXXSYDNRY-CYBMUJFWSA-N 1 0 264.413 3.218 20 10 CGCDRO CC[C@@H]([NH2+]CC1(SC)CC1)c1ccccc1O ZINC000193821029 392886091 /nfs/dbraw/zinc/88/60/91/392886091.db2.gz ZFPJRUQOPXXXDR-GFCCVEGCSA-N 1 0 251.395 3.329 20 10 CGCDRO CC[C@H]([NH2+]CC1(SC)CC1)c1ccccc1O ZINC000193821011 392886943 /nfs/dbraw/zinc/88/69/43/392886943.db2.gz ZFPJRUQOPXXXDR-LBPRGKRZSA-N 1 0 251.395 3.329 20 10 CGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H](C)c1cnccn1 ZINC000358997421 393532875 /nfs/dbraw/zinc/53/28/75/393532875.db2.gz WWGHBROYIKEUCP-CYBMUJFWSA-N 1 0 280.375 3.128 20 10 CGCDRO COc1cccc(C[NH2+]CCc2ccc(Cl)cc2)c1O ZINC000020122561 171002607 /nfs/dbraw/zinc/00/26/07/171002607.db2.gz DJTNETIEDZFTKP-UHFFFAOYSA-N 1 0 291.778 3.387 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@H](C)c2cccs2)c1 ZINC000020148659 171037074 /nfs/dbraw/zinc/03/70/74/171037074.db2.gz QJZAZVCKTRWBGA-SNVBAGLBSA-N 1 0 263.362 3.313 20 10 CGCDRO CC(C)C[C@H](C[NH2+][C@H](C)c1ccccc1O)N(C)C ZINC000020201340 171065592 /nfs/dbraw/zinc/06/55/92/171065592.db2.gz WLZLBTBDEKFFDD-ZIAGYGMSSA-N 1 0 264.413 3.019 20 10 CGCDRO Cc1cc(C[NH2+]Cc2ccc(N(C)C)cc2)cc(C)c1O ZINC000020306496 171142887 /nfs/dbraw/zinc/14/28/87/171142887.db2.gz BZNCUJPLFASSRR-UHFFFAOYSA-N 1 0 284.403 3.365 20 10 CGCDRO C[C@H]([NH2+]CCc1ccc2c(c1)OCCO2)c1ccccc1O ZINC000020827508 171274607 /nfs/dbraw/zinc/27/46/07/171274607.db2.gz RCGIXHWJUIVZKM-ZDUSSCGKSA-N 1 0 299.370 3.057 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H]1Cc2ccccc2O1)c1ccccc1O ZINC000038009341 173974525 /nfs/dbraw/zinc/97/45/25/173974525.db2.gz MDLKPGHUYSIWKG-GOEBONIOSA-N 1 0 283.371 3.437 20 10 CGCDRO CC[C@@H](C)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000154225860 261089290 /nfs/dbraw/zinc/08/92/90/261089290.db2.gz UQSWUMIXSSUBFW-OAHLLOKOSA-N 1 0 276.424 3.001 20 10 CGCDRO CC[C@H]([NH2+]CCCNc1ccccn1)c1ccccc1O ZINC000156267198 261118184 /nfs/dbraw/zinc/11/81/84/261118184.db2.gz KLHHACKGTIDGFO-HNNXBMFYSA-N 1 0 285.391 3.330 20 10 CGCDRO CC[C@H]([NH2+]C[C@]1(O)CCc2ccccc21)c1ccccc1O ZINC000156886909 261134885 /nfs/dbraw/zinc/13/48/85/261134885.db2.gz QXQISAWOVAYMGI-PKOBYXMFSA-N 1 0 297.398 3.267 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000160116804 261205182 /nfs/dbraw/zinc/20/51/82/261205182.db2.gz GGPAWYHRWKJJIX-OLZOCXBDSA-N 1 0 292.398 3.111 20 10 CGCDRO CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(Cl)ccc2O)C1 ZINC000185112195 262042080 /nfs/dbraw/zinc/04/20/80/262042080.db2.gz WAVAKRBVLNVCMD-QWHCGFSZSA-N 1 0 296.842 3.428 20 10 CGCDRO COCC[C@@H](C)[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000185290350 262049008 /nfs/dbraw/zinc/04/90/08/262049008.db2.gz SJTYNCHNNDGDMT-NXEZZACHSA-N 1 0 257.761 3.121 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](C)c2cc(C)ccc2O)cc1O ZINC000185300666 262049147 /nfs/dbraw/zinc/04/91/47/262049147.db2.gz UMZQDNJHNLHNHK-LBPRGKRZSA-N 1 0 287.359 3.266 20 10 CGCDRO COC(C)(C)C[C@@H](C)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000185565146 262059707 /nfs/dbraw/zinc/05/97/07/262059707.db2.gz HHKVVWDEQNPOPO-GHMZBOCLSA-N 1 0 269.360 3.386 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@]2(O)CCc3ccccc32)c1 ZINC000186165502 262082553 /nfs/dbraw/zinc/08/25/53/262082553.db2.gz UJFMGJDZAIQPIO-IFXJQAMLSA-N 1 0 297.398 3.185 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCSC(F)(F)F)c1 ZINC000185086377 262300608 /nfs/dbraw/zinc/30/06/08/262300608.db2.gz ZNTXSJLXBHCNRE-QMMMGPOBSA-N 1 0 295.326 3.304 20 10 CGCDRO C[C@H](CO)[N@@H+](Cc1cccc(Cl)c1[O-])CC1CCC1 ZINC000283832230 263084679 /nfs/dbraw/zinc/08/46/79/263084679.db2.gz CQYSYJWCRMRBIZ-LLVKDONJSA-N 1 0 283.799 3.029 20 10 CGCDRO CCOC[C@@H]([NH2+][C@@H](C)c1ccc(C)cc1O)C(C)C ZINC000189347346 264291855 /nfs/dbraw/zinc/29/18/55/264291855.db2.gz HRVABCFDMHWUOR-DZGCQCFKSA-N 1 0 265.397 3.412 20 10 CGCDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cc1cc(Cl)ccc1O ZINC000367685382 267108730 /nfs/dbraw/zinc/10/87/30/267108730.db2.gz MEUGCSJAKOJYND-SWLSCSKDSA-N 1 0 294.826 3.104 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCc2cn3c(n2)CCCC3)c1 ZINC000368477307 267176262 /nfs/dbraw/zinc/17/62/62/267176262.db2.gz FOKOHHNLLZTDDU-AWEZNQCLSA-N 1 0 299.418 3.127 20 10 CGCDRO Cn1cc([C@@H]([NH2+]Cc2ccccc2O)c2ccccc2)cn1 ZINC000374644336 267805669 /nfs/dbraw/zinc/80/56/69/267805669.db2.gz HIGYDKKOLLNLKE-SFHVURJKSA-N 1 0 293.370 3.005 20 10 CGCDRO CC(C)[C@@H]1OCCC[C@H]1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296714091 275691069 /nfs/dbraw/zinc/69/10/69/275691069.db2.gz IIXAPGGSGADVCH-MPGHIAIKSA-N 1 0 289.419 3.420 20 10 CGCDRO C[C@H](CCO)C1(C[NH2+][C@@H]2CCc3cccc(O)c32)CCC1 ZINC000296826439 279269093 /nfs/dbraw/zinc/26/90/93/279269093.db2.gz MIFDJHJUIHRKLS-UKRRQHHQSA-N 1 0 289.419 3.158 20 10 CGCDRO CCO[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2O)C12CCC2 ZINC000183530876 327820287 /nfs/dbraw/zinc/82/02/87/327820287.db2.gz AZCSLHLJEZOWMU-MAZHCROVSA-N 1 0 275.392 3.391 20 10 CGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC000394978514 328589495 /nfs/dbraw/zinc/58/94/95/328589495.db2.gz CTWXRTVLEPBJRY-CORIIIEPSA-N 1 0 272.392 3.142 20 10 CGCDRO C[C@H]([NH2+][C@@H](C)C1CCOCC1)c1ccc(N(C)C)cc1 ZINC000126136844 327147614 /nfs/dbraw/zinc/14/76/14/327147614.db2.gz UTWNTCOGWZONBY-KBPBESRZSA-N 1 0 276.424 3.218 20 10 CGCDRO C[C@](O)(C[NH2+]Cc1ccccc1O)c1ccccc1Cl ZINC000156655691 327610045 /nfs/dbraw/zinc/61/00/45/327610045.db2.gz QHTCVSCBSKLSKS-INIZCTEOSA-N 1 0 291.778 3.043 20 10 CGCDRO FC(F)Oc1ccc(N2CCC[C@@H]([NH2+]CC3CC3)C2)cc1 ZINC000174621880 329160433 /nfs/dbraw/zinc/16/04/33/329160433.db2.gz KLQYMYDLJBTZOI-CYBMUJFWSA-N 1 0 296.361 3.256 20 10 CGCDRO Cc1c2ccccc2n(C)c1CN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000423084284 330168758 /nfs/dbraw/zinc/16/87/58/330168758.db2.gz HLRKAPHDLCEBGP-GOEBONIOSA-N 1 0 285.435 3.107 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000527737177 330279022 /nfs/dbraw/zinc/27/90/22/330279022.db2.gz GKWYNGZGIWTNFF-MCIONIFRSA-N 1 0 275.392 3.317 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CC[C@@H]2CCCOC2)c(O)c1C ZINC000527931307 330297467 /nfs/dbraw/zinc/29/74/67/330297467.db2.gz RPEFFDXQGVZZLR-GJZGRUSLSA-N 1 0 277.408 3.476 20 10 CGCDRO COCCC1CC[NH+]([C@@H](C)c2cc(OC)ccc2O)CC1 ZINC000527933037 330297601 /nfs/dbraw/zinc/29/76/01/330297601.db2.gz HFNUTQCUSZJYSM-ZDUSSCGKSA-N 1 0 293.407 3.210 20 10 CGCDRO CCO[C@@]1(C)C[C@H]1[NH2+][C@@H](CC)c1ccc(C)cc1O ZINC000527980547 330298113 /nfs/dbraw/zinc/29/81/13/330298113.db2.gz QDPQTECYKFYVOB-IMJJTQAJSA-N 1 0 263.381 3.309 20 10 CGCDRO CC(C)Oc1ccc(C[NH2+]Cc2ccccc2O)cc1 ZINC000134226347 334084694 /nfs/dbraw/zinc/08/46/94/334084694.db2.gz CLPBAALCRVGBBH-UHFFFAOYSA-N 1 0 271.360 3.469 20 10 CGCDRO CC(C)(C)[C@H]1C[C@H]([NH2+]Cc2ccccc2O)CS1 ZINC000277194224 518982055 /nfs/dbraw/zinc/98/20/55/518982055.db2.gz IVRIWLNEKGEFQI-GXTWGEPZSA-N 1 0 265.422 3.402 20 10 CGCDRO CC[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000186939190 520074323 /nfs/dbraw/zinc/07/43/23/520074323.db2.gz CSIHZFXCHZDYQY-QMMMGPOBSA-N 1 0 258.159 3.134 20 10 CGCDRO CC[C@H]([NH2+]CC(C)(C)CCO)c1ccc(N(C)C)cc1 ZINC000268890163 522568541 /nfs/dbraw/zinc/56/85/41/522568541.db2.gz CSNXMPXTCIVTLE-INIZCTEOSA-N 1 0 278.440 3.202 20 10 CGCDRO CC(C)[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2O)CCO1 ZINC000272815094 519805920 /nfs/dbraw/zinc/80/59/20/519805920.db2.gz DXGAKDMWEHAPSF-ZENOOKHLSA-N 1 0 263.381 3.246 20 10 CGCDRO CCCC[C@@H](C)[N@H+](C)Cc1cc(OC)c(OC)cc1O ZINC000291000930 521001496 /nfs/dbraw/zinc/00/14/96/521001496.db2.gz VZFQUPJEXSWAPJ-GFCCVEGCSA-N 1 0 281.396 3.420 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](CSC)C2)c1 ZINC000292874161 521143106 /nfs/dbraw/zinc/14/31/06/521143106.db2.gz WTTXNKMUDSLSNP-CYBMUJFWSA-N 1 0 295.448 3.366 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c1 ZINC000292884149 521148596 /nfs/dbraw/zinc/14/85/96/521148596.db2.gz YBMFJVFPUAQRST-LSDHHAIUSA-N 1 0 297.345 3.268 20 10 CGCDRO CC[N@H+](Cc1cc(OC)ccc1O)[C@@H](C)c1cccnc1 ZINC000290468386 521292659 /nfs/dbraw/zinc/29/26/59/521292659.db2.gz NIGAMKLQDAKBSJ-ZDUSSCGKSA-N 1 0 286.375 3.379 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)c1O ZINC000127479116 521341658 /nfs/dbraw/zinc/34/16/58/521341658.db2.gz XSIHMBRPTNCSAC-HNNXBMFYSA-N 1 0 286.375 3.456 20 10 CGCDRO CC[C@H]([NH2+]CC1CCOCC1)c1ccc(C)cc1O ZINC000280126104 522575694 /nfs/dbraw/zinc/57/56/94/522575694.db2.gz OPRHTEWJHVBEQS-HNNXBMFYSA-N 1 0 263.381 3.168 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)Cn1ccnc1)c1ccc(C)cc1O ZINC000280075732 522691585 /nfs/dbraw/zinc/69/15/85/522691585.db2.gz LJYDGWJLKYHCHY-ZFWWWQNUSA-N 1 0 273.380 3.027 20 10 CGCDRO CC[C@@H]([NH2+]CCCOCC1CC1)c1ccccc1O ZINC000020190830 522829503 /nfs/dbraw/zinc/82/95/03/522829503.db2.gz FIWVUUXHMMQOBD-OAHLLOKOSA-N 1 0 263.381 3.250 20 10 CGCDRO CC[C@@H]([NH2+]C[C@](C)(O)C(F)(F)F)c1ccc(C)cc1O ZINC000280014814 522866536 /nfs/dbraw/zinc/86/65/36/522866536.db2.gz GYKVULKQOYZNDY-YPMHNXCESA-N 1 0 291.313 3.055 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)nc1)c1ccc(C)cc1O ZINC000280093667 522877951 /nfs/dbraw/zinc/87/79/51/522877951.db2.gz MOHUVQOYPNZFFN-MRXNPFEDSA-N 1 0 299.418 3.403 20 10 CGCDRO CC[C@H](c1ccncc1)[N@H+](C)Cc1cccc(OC)c1O ZINC000290400020 522965157 /nfs/dbraw/zinc/96/51/57/522965157.db2.gz JIBKUGABVVDFDU-OAHLLOKOSA-N 1 0 286.375 3.379 20 10 CGCDRO COCc1ccccc1C[NH2+]Cc1cc(C)ccc1O ZINC000071408041 523104159 /nfs/dbraw/zinc/10/41/59/523104159.db2.gz PXNBEYJHVLKODC-UHFFFAOYSA-N 1 0 271.360 3.137 20 10 CGCDRO C[N@@H+](Cc1c(O)ccc2ccccc21)C[C@@H]1CCCO1 ZINC000096810767 523158527 /nfs/dbraw/zinc/15/85/27/523158527.db2.gz POSZXQAJUOWQEP-AWEZNQCLSA-N 1 0 271.360 3.156 20 10 CGCDRO CO[C@@H](C)C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000276214098 523419403 /nfs/dbraw/zinc/41/94/03/523419403.db2.gz PPWBSIOLXBUDSD-ZDUSSCGKSA-N 1 0 271.360 3.184 20 10 CGCDRO Cc1cccc(C[NH2+]CC2(c3ccccn3)CCC2)c1O ZINC000368046744 524431953 /nfs/dbraw/zinc/43/19/53/524431953.db2.gz ZRDXQFWFEATIBB-UHFFFAOYSA-N 1 0 282.387 3.307 20 10 CGCDRO C[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2)CCC1(F)F ZINC000289759936 524620325 /nfs/dbraw/zinc/62/03/25/524620325.db2.gz KPPXRVPJLPIUEG-LBPRGKRZSA-N 1 0 268.351 3.230 20 10 CGCDRO Cc1ccc(O)c(C[N@H+]2CCCCC[C@H]2C[C@H](C)O)c1 ZINC000289945238 525344026 /nfs/dbraw/zinc/34/40/26/525344026.db2.gz YMRVTEIYQWWVKT-HOCLYGCPSA-N 1 0 277.408 3.216 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](CO)c2ccccc2)c1 ZINC000062999847 525363243 /nfs/dbraw/zinc/36/32/43/525363243.db2.gz CSROJYPVVNMHJS-CZUORRHYSA-N 1 0 271.360 3.085 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCc2ccc(O)cc2)c1 ZINC000040735980 525363491 /nfs/dbraw/zinc/36/34/91/525363491.db2.gz IFMJGSJHLBIQKQ-ZDUSSCGKSA-N 1 0 271.360 3.300 20 10 CGCDRO C[C@H]([NH2+]CCc1ccc(O)cc1)c1cc(F)ccc1O ZINC000094617823 525366729 /nfs/dbraw/zinc/36/67/29/525366729.db2.gz AALCFBYVIHOHQL-NSHDSACASA-N 1 0 275.323 3.130 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1CCOC1)c1ccc2ccccc2c1O ZINC000037738169 525393535 /nfs/dbraw/zinc/39/35/35/525393535.db2.gz LJTPRGCWLISMEW-STQMWFEESA-N 1 0 271.360 3.233 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1CCSC1)c1cc(Cl)ccc1O ZINC000280191680 525417962 /nfs/dbraw/zinc/41/79/62/525417962.db2.gz UVMZRKFGJNJJRH-VHSXEESVSA-N 1 0 271.813 3.449 20 10 CGCDRO CSC[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000292527606 525649339 /nfs/dbraw/zinc/64/93/39/525649339.db2.gz WTMXEFHCGUBTKR-OAHLLOKOSA-N 1 0 278.465 3.328 20 10 CGCDRO C[C@H](O)CC[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000268903852 525729800 /nfs/dbraw/zinc/72/98/00/525729800.db2.gz RCCGEIDSXYTYNO-KBPBESRZSA-N 1 0 294.414 3.238 20 10 CGCDRO COc1cccc(C[NH2+]CCCc2ccccc2F)c1O ZINC000280368727 526013384 /nfs/dbraw/zinc/01/33/84/526013384.db2.gz VACWYDUESGBUBB-UHFFFAOYSA-N 1 0 289.350 3.262 20 10 CGCDRO CN(C)c1ccc(C[NH2+]Cc2[nH]nc3ccccc32)cc1F ZINC000727468365 571749242 /nfs/dbraw/zinc/74/92/42/571749242.db2.gz JHWVPYBUPATYME-UHFFFAOYSA-N 1 0 298.365 3.058 20 10 CGCDRO COc1cccc(C[NH2+][C@@H]2CCC[C@H](C3CC3)C2)c1O ZINC000742376975 572351530 /nfs/dbraw/zinc/35/15/30/572351530.db2.gz JPPVWJSODBEVLW-DZGCQCFKSA-N 1 0 275.392 3.459 20 10 CGCDRO Fc1cccc(C[NH2+]Cc2ccc3c(c2)CCO3)c1F ZINC000730816694 572377970 /nfs/dbraw/zinc/37/79/70/572377970.db2.gz CRLIEUYOYDHSHM-UHFFFAOYSA-N 1 0 275.298 3.190 20 10 CGCDRO COC(=O)CN(CCC(C)C)Cc1cc(Cl)ccc1O ZINC000731845228 572429151 /nfs/dbraw/zinc/42/91/51/572429151.db2.gz SGFLVLXCCJSJKL-UHFFFAOYSA-N 1 0 299.798 3.067 20 10 CGCDRO COc1cccc(C[NH2+]Cc2ccc3ccccc3n2)c1O ZINC000725848535 572440933 /nfs/dbraw/zinc/44/09/33/572440933.db2.gz WCZYYXNXXYHKGK-UHFFFAOYSA-N 1 0 294.354 3.239 20 10 CGCDRO Oc1ccccc1C[N@H+](CCn1cccn1)C1CCCC1 ZINC000732204529 572451712 /nfs/dbraw/zinc/45/17/12/572451712.db2.gz MHEKBZMTXLAUOS-UHFFFAOYSA-N 1 0 285.391 3.034 20 10 CGCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]CC1(O)CCCC1 ZINC000732229455 572453833 /nfs/dbraw/zinc/45/38/33/572453833.db2.gz WKXOCFJJUDFPCW-UHFFFAOYSA-N 1 0 297.398 3.454 20 10 CGCDRO CCCC(C)(C)[NH2+]Cc1ccc(OCC)cc1O ZINC000732229774 572454314 /nfs/dbraw/zinc/45/43/14/572454314.db2.gz ZUMSPVJSUCSMIP-UHFFFAOYSA-N 1 0 251.370 3.459 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H](C)c2ccccn2)cc1C ZINC000742368564 572568591 /nfs/dbraw/zinc/56/85/91/572568591.db2.gz DDKKQQKKYXIINZ-ZDUSSCGKSA-N 1 0 256.349 3.255 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C2CCC(C)(O)CC2)cc1 ZINC000749296463 572991618 /nfs/dbraw/zinc/99/16/18/572991618.db2.gz ONFWZLCPYPZVHK-UHFFFAOYSA-N 1 0 290.451 3.316 20 10 CGCDRO CC(C)([NH2+]Cc1ccccc1O)c1ccc([N+](=O)[O-])cc1 ZINC000175984500 618153163 /nfs/dbraw/zinc/15/31/63/618153163.db2.gz HNVSTHVNFWGTNI-UHFFFAOYSA-N 1 0 286.331 3.325 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCc2cscn2)cc1 ZINC000178470889 618463972 /nfs/dbraw/zinc/46/39/72/618463972.db2.gz ZHYZPEKVBJGBCS-CYBMUJFWSA-N 1 0 289.448 3.493 20 10 CGCDRO COc1ccc(C[N@@H+]2CCCC[C@@H]2C(C)C)c(O)c1OC ZINC000892052823 618505426 /nfs/dbraw/zinc/50/54/26/618505426.db2.gz QPAYOLOJJGGPBI-CQSZACIVSA-N 1 0 293.407 3.420 20 10 CGCDRO CCN(C)c1ccc(C[NH2+][C@H]2CCOC23CCCC3)cc1 ZINC000934391650 618614614 /nfs/dbraw/zinc/61/46/14/618614614.db2.gz QCRHONNWHRBTTK-KRWDZBQOSA-N 1 0 288.435 3.334 20 10 CGCDRO CC(C)CCOCC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000045094196 618618849 /nfs/dbraw/zinc/61/88/49/618618849.db2.gz RFGHSWVBSCGUSR-HNNXBMFYSA-N 1 0 278.440 3.466 20 10 CGCDRO CCOc1cccc(C[NH2+]Cc2ccc(F)c(F)c2)c1O ZINC000049577282 618635339 /nfs/dbraw/zinc/63/53/39/618635339.db2.gz MXJRGWMLNBRPTO-UHFFFAOYSA-N 1 0 293.313 3.359 20 10 CGCDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1O ZINC000050015542 618649274 /nfs/dbraw/zinc/64/92/74/618649274.db2.gz LEQYPLOQUPPEIH-NSHDSACASA-N 1 0 272.304 3.151 20 10 CGCDRO CCOc1ncccc1C[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000184985568 625286180 /nfs/dbraw/zinc/28/61/80/625286180.db2.gz TVTIXYZFSGNDAA-ZDUSSCGKSA-N 1 0 286.375 3.345 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCS[C@H]2C)c1 ZINC000310223626 618782661 /nfs/dbraw/zinc/78/26/61/618782661.db2.gz FTTZLEGWQASBMW-GVXVVHGQSA-N 1 0 251.395 3.245 20 10 CGCDRO COc1cc(O)c(C[N@H+](C)CC2CCCCC2)cc1OC ZINC000179436070 618784037 /nfs/dbraw/zinc/78/40/37/618784037.db2.gz PXJSOKCSZQDZRE-UHFFFAOYSA-N 1 0 293.407 3.422 20 10 CGCDRO Cn1cncc1C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000177067086 618785646 /nfs/dbraw/zinc/78/56/46/618785646.db2.gz YHJVOSUQRJBIJY-UHFFFAOYSA-N 1 0 285.391 3.071 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCS2)c(O)c1 ZINC000149710424 618792700 /nfs/dbraw/zinc/79/27/00/618792700.db2.gz VDXKELWGZAKALD-VXGBXAGGSA-N 1 0 251.395 3.247 20 10 CGCDRO COCC[N@H+](Cc1ccccc1)Cc1ccccc1O ZINC000179552992 618795677 /nfs/dbraw/zinc/79/56/77/618795677.db2.gz FMRBZXQXZLMQLE-UHFFFAOYSA-N 1 0 271.360 3.041 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(C)o2)c1 ZINC000053035858 618877511 /nfs/dbraw/zinc/87/75/11/618877511.db2.gz CRXPBFMSIXKZMA-LLVKDONJSA-N 1 0 261.321 3.153 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+][C@H](C)CCSC)c1O ZINC000169089194 618916316 /nfs/dbraw/zinc/91/63/16/618916316.db2.gz ZJVXARROISFEHT-SECBINFHSA-N 1 0 289.828 3.285 20 10 CGCDRO CCCC[C@@H](C)[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000311772061 618917590 /nfs/dbraw/zinc/91/75/90/618917590.db2.gz HMAQXUBLCCCNLP-LLVKDONJSA-N 1 0 265.353 3.131 20 10 CGCDRO C[C@H]1SCC[C@H]1[NH2+]Cc1c(O)cccc1Cl ZINC000309814305 618963149 /nfs/dbraw/zinc/96/31/49/618963149.db2.gz AIPNUMUZPZQPHJ-LDYMZIIASA-N 1 0 257.786 3.029 20 10 CGCDRO CC[C@@H]1CCC[C@H]([NH2+]Cc2ccc(OC)c(OC)c2O)C1 ZINC000893014290 618977597 /nfs/dbraw/zinc/97/75/97/618977597.db2.gz QICTXVKUARYUMA-OCCSQVGLSA-N 1 0 293.407 3.468 20 10 CGCDRO CC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000893107400 618997060 /nfs/dbraw/zinc/99/70/60/618997060.db2.gz BOJARMZHJRLWSS-DGCLKSJQSA-N 1 0 279.380 3.078 20 10 CGCDRO CCC[C@]1(COC)CCC[N@@H+]1Cc1cc(C)ccc1O ZINC000775205223 619010316 /nfs/dbraw/zinc/01/03/16/619010316.db2.gz REUWKBRPEOVJEF-QGZVFWFLSA-N 1 0 277.408 3.482 20 10 CGCDRO COc1cccc(O)c1C[NH2+]CC[C@H]1CC1(Cl)Cl ZINC000856806083 619138238 /nfs/dbraw/zinc/13/82/38/619138238.db2.gz ACVUUUAIEWJXMV-VIFPVBQESA-N 1 0 290.190 3.074 20 10 CGCDRO C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000093500521 619202324 /nfs/dbraw/zinc/20/23/24/619202324.db2.gz GFMYWZMJYBOLPD-ZJUUUORDSA-N 1 0 271.813 3.371 20 10 CGCDRO COCCC[C@H](C)[NH2+]CCCSc1nccs1 ZINC000178463272 619209189 /nfs/dbraw/zinc/20/91/89/619209189.db2.gz QXTMWYUDBGJKLI-NSHDSACASA-N 1 0 274.455 3.030 20 10 CGCDRO Cc1cc(Br)cc(C[NH2+]CC(C)C)c1O ZINC000162821887 619218600 /nfs/dbraw/zinc/21/86/00/619218600.db2.gz AISZWIVFFBRCMA-UHFFFAOYSA-N 1 0 272.186 3.209 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCO[C@H](C3CC3)C2)c(Cl)c1 ZINC000840940001 619231468 /nfs/dbraw/zinc/23/14/68/619231468.db2.gz SVLHIUUMQQIYGR-WBMJQRKESA-N 1 0 295.810 3.401 20 10 CGCDRO Cc1ccncc1C[N@@H+](C)Cc1ccc(N(C)C)cc1C ZINC000840941236 619232902 /nfs/dbraw/zinc/23/29/02/619232902.db2.gz SLDTZWUMWKISHY-UHFFFAOYSA-N 1 0 283.419 3.396 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)c1cc[nH]c(=O)c1 ZINC000840949118 619251205 /nfs/dbraw/zinc/25/12/05/619251205.db2.gz NXJGBOAESXVNEP-ZDUSSCGKSA-N 1 0 285.391 3.012 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CC[C@@H](C)O2)c(Cl)c1 ZINC000840953501 619256624 /nfs/dbraw/zinc/25/66/24/619256624.db2.gz TUKRISJEMZAQPL-MNOVXSKESA-N 1 0 269.772 3.011 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CCSC2(CCC2)CC1 ZINC000840954083 619257540 /nfs/dbraw/zinc/25/75/40/619257540.db2.gz CVTFAVBQOWYBCC-UHFFFAOYSA-N 1 0 293.432 3.262 20 10 CGCDRO COc1ccc(C[N@@H+]2CCCC[C@H](C)C2)c(O)c1OC ZINC000893679666 619278030 /nfs/dbraw/zinc/27/80/30/619278030.db2.gz WLHBYLKVJYGTEM-LBPRGKRZSA-N 1 0 279.380 3.031 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2C[C@H](C)O[C@@H]2C)c(Cl)c1 ZINC000840965062 619285079 /nfs/dbraw/zinc/28/50/79/619285079.db2.gz ZZBODYBJLSCWSL-TUAOUCFPSA-N 1 0 283.799 3.257 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CC(C)(C)c2cccnc2)cc1C ZINC000840974669 619303754 /nfs/dbraw/zinc/30/37/54/619303754.db2.gz DRQLSWILBJLSAH-UHFFFAOYSA-N 1 0 284.403 3.471 20 10 CGCDRO OCCC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000924900476 619429925 /nfs/dbraw/zinc/42/99/25/619429925.db2.gz NOQICKNQLQRRJT-NVXWUHKLSA-N 1 0 289.419 3.042 20 10 CGCDRO COc1cc(C)cc(C[NH2+]CC[C@@H]2CCO[C@@H](C)C2)c1O ZINC000894443093 619538250 /nfs/dbraw/zinc/53/82/50/619538250.db2.gz CUOKNWKIRFPUKN-UONOGXRCSA-N 1 0 293.407 3.004 20 10 CGCDRO Cc1noc(C)c1CC[NH2+][C@H](C)c1cc(F)ccc1O ZINC000185396256 625355284 /nfs/dbraw/zinc/35/52/84/625355284.db2.gz HEPMZLJQDZHJAH-SECBINFHSA-N 1 0 278.327 3.029 20 10 CGCDRO COc1cc(C)cc(C[NH2+]C(C)(C)C2CCC2)c1O ZINC000894900281 619676492 /nfs/dbraw/zinc/67/64/92/619676492.db2.gz FVAQRJIGRBGADO-UHFFFAOYSA-N 1 0 263.381 3.378 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2C[C@@H](C3CC3)[C@@H]2C2CC2)c1O ZINC000894904937 619679589 /nfs/dbraw/zinc/67/95/89/619679589.db2.gz BLOSSAGVEPIJKC-RDJZCZTQSA-N 1 0 287.403 3.330 20 10 CGCDRO C[C@@H]([NH2+]CCn1cccn1)c1ccc2ccccc2c1O ZINC000049074502 619680313 /nfs/dbraw/zinc/68/03/13/619680313.db2.gz HIGQWDGPHQSKFO-CYBMUJFWSA-N 1 0 281.359 3.093 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)c1 ZINC000164495739 619704732 /nfs/dbraw/zinc/70/47/32/619704732.db2.gz CLMPPNWQURMGDB-WMLDXEAASA-N 1 0 299.418 3.289 20 10 CGCDRO Oc1cccc2c1C[N@H+](Cc1cccc3c1NCCC3)C2 ZINC000895450441 619831781 /nfs/dbraw/zinc/83/17/81/619831781.db2.gz YYSPWWXFXKNJCC-UHFFFAOYSA-N 1 0 280.371 3.266 20 10 CGCDRO COC(=O)c1ccc(C[N@@H+]2Cc3cccc(O)c3C2)cc1C ZINC000895785143 619885400 /nfs/dbraw/zinc/88/54/00/619885400.db2.gz ORSWSGIEUQASIG-UHFFFAOYSA-N 1 0 297.354 3.003 20 10 CGCDRO COc1cc(O)c(C[NH2+]C[C@]23C[C@H]2CCCC3)cc1OC ZINC000896264182 619983395 /nfs/dbraw/zinc/98/33/95/619983395.db2.gz FLNNFJICXLRFDB-DYVFJYSZSA-N 1 0 291.391 3.079 20 10 CGCDRO Cc1cccc(O)c1C[NH+]1CCC(F)(C2CC2)CC1 ZINC000896946814 620110486 /nfs/dbraw/zinc/11/04/86/620110486.db2.gz ZIQLUXGCRPXAMG-UHFFFAOYSA-N 1 0 263.356 3.415 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C[C@H]2CC(C)(C)OC2(C)C)c1 ZINC000897229158 620165636 /nfs/dbraw/zinc/16/56/36/620165636.db2.gz RVZFIABUFAZMEV-CYBMUJFWSA-N 1 0 293.407 3.084 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]C[C@@]1(c2ccccc2)CCCO1 ZINC000897236221 620167949 /nfs/dbraw/zinc/16/79/49/620167949.db2.gz CSHMBTKTMSYVRV-LJQANCHMSA-N 1 0 297.398 3.496 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)[C@@H](c2ccccc2)N(C)C)c1 ZINC000185678662 625412542 /nfs/dbraw/zinc/41/25/42/625412542.db2.gz SYHHNADRVRNTHE-KXBFYZLASA-N 1 0 298.430 3.482 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CC[C@@H]2CCCC[C@@H]2O)c(Cl)c1 ZINC000897537073 620380211 /nfs/dbraw/zinc/38/02/11/620380211.db2.gz KMZCTWGQOULFOQ-WFASDCNBSA-N 1 0 297.826 3.385 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@H]2CCSC(C)(C)C2)c1 ZINC000897798239 620434253 /nfs/dbraw/zinc/43/42/53/620434253.db2.gz PHCGOLLHZJVNKC-LBPRGKRZSA-N 1 0 281.421 3.165 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2C[C@@H]3CCC[C@H]23)c1O ZINC000897955470 620455203 /nfs/dbraw/zinc/45/52/03/620455203.db2.gz VAOAIZDLBPFRQG-TVYUQYBPSA-N 1 0 281.783 3.332 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH+]1CC(Cc2ccoc2)C1 ZINC000898160926 620484529 /nfs/dbraw/zinc/48/45/29/620484529.db2.gz ZSURSYFLMHHHNQ-UHFFFAOYSA-N 1 0 277.751 3.313 20 10 CGCDRO c1cc([C@H]([NH2+]Cc2ccc3c(c2)CCO3)C2CC2)ccn1 ZINC000898325214 620506843 /nfs/dbraw/zinc/50/68/43/620506843.db2.gz ODDDTLIWDGVPTC-GOSISDBHSA-N 1 0 280.371 3.257 20 10 CGCDRO Cc1nc(CC[NH2+][C@@H](C)c2cc(F)ccc2O)sc1C ZINC000185798354 625443339 /nfs/dbraw/zinc/44/33/39/625443339.db2.gz QUJZQOKXPLNDDO-JTQLQIEISA-N 1 0 294.395 3.498 20 10 CGCDRO C/C=C/C[C@@H](CO)[NH2+]Cc1ccc(N(CC)CC)c(F)c1 ZINC000185813205 625446374 /nfs/dbraw/zinc/44/63/74/625446374.db2.gz DARQHDKLJTUYED-SZTZYQKNSA-N 1 0 294.414 3.089 20 10 CGCDRO C/C=C/C[C@H](CO)[NH2+]Cc1ccc(N(CC)CC)c(F)c1 ZINC000185813227 625446526 /nfs/dbraw/zinc/44/65/26/625446526.db2.gz DARQHDKLJTUYED-NFBGWVBBSA-N 1 0 294.414 3.089 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)c1 ZINC000902867353 621473171 /nfs/dbraw/zinc/47/31/71/621473171.db2.gz CCDXSSWVSUZAKF-DABQJJPHSA-N 1 0 261.365 3.069 20 10 CGCDRO C[C@H]([NH2+]Cc1cnn(CCF)c1)c1cc(Cl)ccc1O ZINC000903275259 621658828 /nfs/dbraw/zinc/65/88/28/621658828.db2.gz YMQQKOCWUFBVEX-JTQLQIEISA-N 1 0 297.761 3.062 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCOC23CCCC3)c1 ZINC000903384253 621724957 /nfs/dbraw/zinc/72/49/57/621724957.db2.gz VAZSTLYURKLUCG-BBRMVZONSA-N 1 0 275.392 3.453 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C[C@H]2CCCC[C@H]2C)c1 ZINC000042857873 621863336 /nfs/dbraw/zinc/86/33/36/621863336.db2.gz AWLMONQIAZGTHP-CHWSQXEVSA-N 1 0 263.381 3.317 20 10 CGCDRO Cc1cc(O)c(CNc2ccccc2C[NH3+])cc1C ZINC000904482713 621926590 /nfs/dbraw/zinc/92/65/90/621926590.db2.gz CVQDEKPSPSNRSP-UHFFFAOYSA-N 1 0 256.349 3.080 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H]2C[C@@H](OC(C)C)C2(C)C)c1O ZINC000768525161 625541508 /nfs/dbraw/zinc/54/15/08/625541508.db2.gz UDDHDIAZKRTZMV-HUUCEWRRSA-N 1 0 277.408 3.382 20 10 CGCDRO C[C@@H]([NH2+]CCCN1CCc2ccccc21)c1ccccc1O ZINC000192953433 622331797 /nfs/dbraw/zinc/33/17/97/622331797.db2.gz VNHHTGPRDXTGOB-OAHLLOKOSA-N 1 0 296.414 3.496 20 10 CGCDRO Cc1ccc(O)c(CN2CC[NH2+]Cc3c(C)cccc32)c1 ZINC000841089719 622420343 /nfs/dbraw/zinc/42/03/43/622420343.db2.gz MTWWTMJFDKCMKP-UHFFFAOYSA-N 1 0 282.387 3.119 20 10 CGCDRO CC[C@@H](C)[C@@H](O)C[NH2+][C@@H](CC)c1ccc(N(C)C)cc1 ZINC000163954913 622809692 /nfs/dbraw/zinc/80/96/92/622809692.db2.gz OBIOZZRVXCLTQE-COXVUDFISA-N 1 0 278.440 3.200 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H]2CSC)c1O ZINC000164526241 622836818 /nfs/dbraw/zinc/83/68/18/622836818.db2.gz JLJIYAKCHDINNN-CYBMUJFWSA-N 1 0 281.421 3.037 20 10 CGCDRO Cc1cccc(C[NH2+]CCCN(C)c2ccccc2)c1O ZINC000158075291 623003653 /nfs/dbraw/zinc/00/36/53/623003653.db2.gz IJBYZLDBVKADCL-UHFFFAOYSA-N 1 0 284.403 3.317 20 10 CGCDRO Cc1csc(CC[NH2+]Cc2cc(Cl)ccc2O)n1 ZINC000060942044 623082986 /nfs/dbraw/zinc/08/29/86/623082986.db2.gz GWNFJWUGEAGZQF-UHFFFAOYSA-N 1 0 282.796 3.143 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C(C)(C)COC)cc1F ZINC000172672120 623268095 /nfs/dbraw/zinc/26/80/95/623268095.db2.gz CLSDMXVVTGQWFS-UHFFFAOYSA-N 1 0 282.403 3.187 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCc2nc(C)cs2)c1 ZINC000063132457 623301141 /nfs/dbraw/zinc/30/11/41/623301141.db2.gz XEAISAGATITXJK-LLVKDONJSA-N 1 0 292.404 3.059 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@H]2C[C@](C)(OC)C2(C)C)c1 ZINC000174136159 623365806 /nfs/dbraw/zinc/36/58/06/623365806.db2.gz QCCSFYVCHZQGFH-RDJZCZTQSA-N 1 0 293.407 3.084 20 10 CGCDRO COc1ccc(N(C)CC[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000842472916 623454096 /nfs/dbraw/zinc/45/40/96/623454096.db2.gz KVECEXNWXQTVSY-LBPRGKRZSA-N 1 0 282.815 3.175 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C(C)C)C2CC2)c1 ZINC000324105536 623565468 /nfs/dbraw/zinc/56/54/68/623565468.db2.gz MIJINKVSICFYEQ-MEDUHNTESA-N 1 0 263.381 3.486 20 10 CGCDRO CC[C@@H](COC)[NH2+][C@@H](C)c1ccc(N(C)CC)cc1 ZINC000152883861 623728139 /nfs/dbraw/zinc/72/81/39/623728139.db2.gz RIJUSMMYAFINAP-ZFWWWQNUSA-N 1 0 264.413 3.218 20 10 CGCDRO CCC[C@H]([NH2+]Cc1ccc(OC)cc1O)C1CCC1 ZINC000324654905 624107242 /nfs/dbraw/zinc/10/72/42/624107242.db2.gz KBBMLYZLNBLKSZ-HNNXBMFYSA-N 1 0 263.381 3.459 20 10 CGCDRO CCC[C@@H]([NH2+]Cc1cccc(OC)c1O)C1CCC1 ZINC000324680646 624214970 /nfs/dbraw/zinc/21/49/70/624214970.db2.gz RBFHBWSLDONADR-CQSZACIVSA-N 1 0 263.381 3.459 20 10 CGCDRO COc1cccc(C[N@H+](C)CCCc2ccccc2)c1O ZINC000154247940 624225707 /nfs/dbraw/zinc/22/57/07/624225707.db2.gz RFMNZHMGTUMJOT-UHFFFAOYSA-N 1 0 285.387 3.465 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C[C@@H]2CCCCO2)C2CC2)cc1 ZINC000917073912 624232745 /nfs/dbraw/zinc/23/27/45/624232745.db2.gz HOXXDDLKYTXHQW-SFHVURJKSA-N 1 0 288.435 3.286 20 10 CGCDRO CCCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000080698440 625713629 /nfs/dbraw/zinc/71/36/29/625713629.db2.gz LUKDLSFUMWHGGE-UHFFFAOYSA-N 1 0 262.397 3.007 20 10 CGCDRO C[C@H]([NH2+]Cc1cccnc1N(C)C)c1ccc(N(C)C)cc1 ZINC000154744918 624356888 /nfs/dbraw/zinc/35/68/88/624356888.db2.gz HGRIWIDZPJTHBS-AWEZNQCLSA-N 1 0 298.434 3.064 20 10 CGCDRO CC[N@H+](CCOC)Cc1cc(C(C)C)c(C)cc1O ZINC000921046137 624565025 /nfs/dbraw/zinc/56/50/25/624565025.db2.gz JRJSJRJPEXBVKM-UHFFFAOYSA-N 1 0 265.397 3.292 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)Cc2cccs2)cc1 ZINC000174995821 624607802 /nfs/dbraw/zinc/60/78/02/624607802.db2.gz PCODZILHAKQZNK-UHFFFAOYSA-N 1 0 260.406 3.446 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2C(C)C)c1 ZINC000180276763 624732575 /nfs/dbraw/zinc/73/25/75/624732575.db2.gz UORCCDHWAILIRO-OAHLLOKOSA-N 1 0 263.381 3.411 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2C[C@H](C)[C@H]3CCCC[C@@H]32)c1 ZINC000180763180 624770928 /nfs/dbraw/zinc/77/09/28/624770928.db2.gz ZDTOCLVRQXSXHO-MAZHCROVSA-N 1 0 275.392 3.411 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CCC[C@@H]1O)c1ccc(N2CCCCC2)cc1 ZINC000181061726 624801990 /nfs/dbraw/zinc/80/19/90/624801990.db2.gz MDWSYVHKESQMRT-JLSDUUJJSA-N 1 0 288.435 3.241 20 10 CGCDRO Cc1cncc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000181837701 624900518 /nfs/dbraw/zinc/90/05/18/624900518.db2.gz ICKVPPOOMNVXOU-AWEZNQCLSA-N 1 0 269.392 3.307 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)[C@@H]1CCCO1 ZINC000090858435 624991861 /nfs/dbraw/zinc/99/18/61/624991861.db2.gz KNDRXOUVPAVUGB-JQFCIGGWSA-N 1 0 276.424 3.361 20 10 CGCDRO CCOc1ncccc1C[NH2+][C@H](C)c1ccccc1O ZINC000183409195 625070483 /nfs/dbraw/zinc/07/04/83/625070483.db2.gz VVLVSNOOHIVPLE-GFCCVEGCSA-N 1 0 272.348 3.037 20 10 CGCDRO C[C@H]([NH2+]CCOc1ccc(F)cc1F)c1ccccc1O ZINC000183544231 625093123 /nfs/dbraw/zinc/09/31/23/625093123.db2.gz OYRWLFRLWGBOMY-NSHDSACASA-N 1 0 293.313 3.400 20 10 CGCDRO C[C@]1([NH2+]Cc2ccc3c(c2)CCCO3)CCO[C@@H]1C1CC1 ZINC000921988899 625953671 /nfs/dbraw/zinc/95/36/71/625953671.db2.gz ABNPEJTVZCBQFR-MSOLQXFVSA-N 1 0 287.403 3.059 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]Cc2c(O)cccc2Cl)CCS1 ZINC000922836251 626053694 /nfs/dbraw/zinc/05/36/94/626053694.db2.gz LCJOEJUFNFLRHY-NXEZZACHSA-N 1 0 271.813 3.419 20 10 CGCDRO COc1ccc(C[NH2+][C@H](C2CC2)[C@@H]2CCCOC2)cc1C ZINC000922891328 626070969 /nfs/dbraw/zinc/07/09/69/626070969.db2.gz HWRNIFAYMLRWDG-SJLPKXTDSA-N 1 0 289.419 3.298 20 10 CGCDRO C[C@@H]([NH2+]C[C@H](C)c1nccs1)c1ccccc1O ZINC000186738192 626072313 /nfs/dbraw/zinc/07/23/13/626072313.db2.gz AMKRKJSHYXKEJE-WDEREUQCSA-N 1 0 262.378 3.303 20 10 CGCDRO Cc1cc(O)c(C[NH2+]Cc2cccc3c2OCC3)cc1C ZINC000922944057 626104274 /nfs/dbraw/zinc/10/42/74/626104274.db2.gz IUKFGHSWYYULTP-UHFFFAOYSA-N 1 0 283.371 3.234 20 10 CGCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@H](C)[C@H]2C)c1O ZINC000184702067 626181663 /nfs/dbraw/zinc/18/16/63/626181663.db2.gz PCBPNONWJAXJQQ-VHSXEESVSA-N 1 0 269.772 3.285 20 10 CGCDRO CC[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccc(F)cc1[O-] ZINC000840808755 626190021 /nfs/dbraw/zinc/19/00/21/626190021.db2.gz DTOAAMXSDQHGDB-XJKSGUPXSA-N 1 0 294.414 3.304 20 10 CGCDRO Oc1ccccc1C[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000020145301 634491925 /nfs/dbraw/zinc/49/19/25/634491925.db2.gz AXSDYXKECYEGJQ-UHFFFAOYSA-N 1 0 279.286 3.283 20 10 CGCDRO Cc1ccccc1CC1C[NH+](Cc2ccccc2O)C1 ZINC000839131423 626321314 /nfs/dbraw/zinc/32/13/14/626321314.db2.gz KFHILAJDDWSRPN-UHFFFAOYSA-N 1 0 267.372 3.375 20 10 CGCDRO Oc1c(C[NH+]2CC3(CC(F)C3)C2)ccc2ccccc21 ZINC000839139198 626322447 /nfs/dbraw/zinc/32/24/47/626322447.db2.gz DRLLPXGZXGOLJE-UHFFFAOYSA-N 1 0 271.335 3.479 20 10 CGCDRO CCOc1ccc(C[NH2+][C@@]2(C)CC=CCC2)c(O)c1 ZINC000839191237 626328756 /nfs/dbraw/zinc/32/87/56/626328756.db2.gz HFROFHXBRMXBJK-INIZCTEOSA-N 1 0 261.365 3.379 20 10 CGCDRO OCC1([NH2+]Cc2cc(-c3ccccc3)ccc2O)CCCC1 ZINC000751506595 626393335 /nfs/dbraw/zinc/39/33/35/626393335.db2.gz WTOIWQLGUVSUMA-UHFFFAOYSA-N 1 0 297.398 3.454 20 10 CGCDRO CC(C)[N@@H+]1CCCC[C@H]1CSc1nccs1 ZINC000752931288 626442164 /nfs/dbraw/zinc/44/21/64/626442164.db2.gz NNHSWUOEKGLATP-NSHDSACASA-N 1 0 256.440 3.498 20 10 CGCDRO CC(C)C1(C[NH2+]Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000753372456 626450682 /nfs/dbraw/zinc/45/06/82/626450682.db2.gz FJVYDZLCUNBFSX-UHFFFAOYSA-N 1 0 264.388 3.418 20 10 CGCDRO OCCC1(C[NH2+]Cc2c(O)cccc2Cl)CCCCC1 ZINC000753372416 626450713 /nfs/dbraw/zinc/45/07/13/626450713.db2.gz FFDMEGAFGPNJHT-UHFFFAOYSA-N 1 0 297.826 3.468 20 10 CGCDRO C[C@@H]1C[C@@H]1C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000754099164 626475612 /nfs/dbraw/zinc/47/56/12/626475612.db2.gz BTTIVVDXDSOQJX-BMFZPTHFSA-N 1 0 275.392 3.029 20 10 CGCDRO CCOCCC[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756342079 626693363 /nfs/dbraw/zinc/69/33/63/626693363.db2.gz MDXCOGNDRDTJNT-CMPLNLGQSA-N 1 0 267.344 3.096 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CC[C@H]2CCCO2)c(O)c1C ZINC000756398070 626701440 /nfs/dbraw/zinc/70/14/40/626701440.db2.gz BJFQNJFGGQUVCB-UONOGXRCSA-N 1 0 263.381 3.229 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1ccn(C)n1 ZINC000756403588 626702148 /nfs/dbraw/zinc/70/21/48/626702148.db2.gz QDADBMKECACLLC-KRWDZBQOSA-N 1 0 298.434 3.261 20 10 CGCDRO C[C@H]([NH2+]C[C@H](C)N1CCCC[C@H]1C)c1cc(F)ccc1O ZINC000756409926 626702800 /nfs/dbraw/zinc/70/28/00/626702800.db2.gz CGAUWNWYLNORNE-RDBSUJKOSA-N 1 0 294.414 3.445 20 10 CGCDRO C[C@H]([NH2+]Cc1cn2ccsc2n1)c1cc(F)ccc1O ZINC000756453969 626707132 /nfs/dbraw/zinc/70/71/32/626707132.db2.gz BSLQQRHPMSJNRG-VIFPVBQESA-N 1 0 291.351 3.091 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCN2CCc3ccccc32)c(O)c1 ZINC000756483808 626708989 /nfs/dbraw/zinc/70/89/89/626708989.db2.gz RGYBASHQBHJEHY-OAHLLOKOSA-N 1 0 296.414 3.414 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)Cc2cnccn2)c(O)c1C ZINC000756492776 626709225 /nfs/dbraw/zinc/70/92/25/626709225.db2.gz AJVDPKFFWHJCOI-TZMCWYRMSA-N 1 0 285.391 3.081 20 10 CGCDRO COCCCCC[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756496318 626710001 /nfs/dbraw/zinc/71/00/01/626710001.db2.gz GHLOIRIVQRCVNL-DGCLKSJQSA-N 1 0 281.371 3.486 20 10 CGCDRO C[C@H]1C[C@@H]([NH2+]CCc2nccs2)c2c1c(F)ccc2O ZINC000756511420 626711248 /nfs/dbraw/zinc/71/12/48/626711248.db2.gz XETKCYAAGSQQNR-GXSJLCMTSA-N 1 0 292.379 3.368 20 10 CGCDRO C[C@@H]([NH2+]CC1(O)CCCC1)c1cc(Cl)ccc1O ZINC000756575983 626716745 /nfs/dbraw/zinc/71/67/45/626716745.db2.gz SAVCLOJKWCUWES-SNVBAGLBSA-N 1 0 269.772 3.001 20 10 CGCDRO Cc1cc(C[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)[nH]n1 ZINC000756583822 626717967 /nfs/dbraw/zinc/71/79/67/626717967.db2.gz CFNYWMFUPXZDPC-GFCCVEGCSA-N 1 0 285.391 3.153 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[C@H]2O)c2c1c(F)ccc2O ZINC000756602220 626719813 /nfs/dbraw/zinc/71/98/13/626719813.db2.gz DIEBDEQTNMTUSZ-UVLXDEKHSA-N 1 0 293.382 3.220 20 10 CGCDRO CC(C)[C@@H](CCO)[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756610916 626720380 /nfs/dbraw/zinc/72/03/80/626720380.db2.gz URTJYTYCSPKKIN-RTXFEEFZSA-N 1 0 281.371 3.076 20 10 CGCDRO C[C@H](Cc1ccncc1)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000756636195 626722887 /nfs/dbraw/zinc/72/28/87/626722887.db2.gz VLWWJEJKZDVUGF-VXGBXAGGSA-N 1 0 274.339 3.208 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](CO)c2ccccc2C)c1 ZINC000756638002 626723111 /nfs/dbraw/zinc/72/31/11/626723111.db2.gz PUWMHOAORGPBGI-WMLDXEAASA-N 1 0 285.387 3.393 20 10 CGCDRO C[C@H]([NH2+]CCNc1ccccc1)c1cc(F)ccc1O ZINC000756640421 626723626 /nfs/dbraw/zinc/72/36/26/626723626.db2.gz ASVVYZXXQVSGGN-LBPRGKRZSA-N 1 0 274.339 3.294 20 10 CGCDRO COC(C)(C)C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756647372 626724167 /nfs/dbraw/zinc/72/41/67/626724167.db2.gz TVIPBMMEYLHUIN-KOLCDFICSA-N 1 0 267.344 3.094 20 10 CGCDRO CSc1cc(C[NH2+][C@@H](C)c2cc(F)ccc2O)ccn1 ZINC000756663219 626725119 /nfs/dbraw/zinc/72/51/19/626725119.db2.gz HJSPZXGVLHTSBB-JTQLQIEISA-N 1 0 292.379 3.499 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(F)cn1)c1cc(Cl)ccc1O ZINC000756657726 626725146 /nfs/dbraw/zinc/72/51/46/626725146.db2.gz FUGSKLIMXFQABQ-VIFPVBQESA-N 1 0 280.730 3.431 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCSC2)c2c1c(F)ccc2O ZINC000756733455 626728543 /nfs/dbraw/zinc/72/85/43/626728543.db2.gz RGRCWOYGHNIXRT-YWVKMMECSA-N 1 0 267.369 3.175 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC[C@H](OC)C2)c1 ZINC000756759073 626730242 /nfs/dbraw/zinc/73/02/42/626730242.db2.gz IJOPIWAOZFADIB-XQQFMLRXSA-N 1 0 279.380 3.009 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(F)n2)c(O)c1 ZINC000756768164 626730560 /nfs/dbraw/zinc/73/05/60/626730560.db2.gz KMGJQPFKUQBRFK-LLVKDONJSA-N 1 0 260.312 3.086 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2cccc(F)n2)c2c1c(F)ccc2O ZINC000756768228 626730585 /nfs/dbraw/zinc/73/05/85/626730585.db2.gz KYHZZEQFINTVML-BXKDBHETSA-N 1 0 290.313 3.404 20 10 CGCDRO C[C@@H]([NH2+][C@H](CO)CC1CC1)c1ccc2ccccc2c1O ZINC000756770629 626730778 /nfs/dbraw/zinc/73/07/78/626730778.db2.gz YSVZKQCODLHEMR-DOMZBBRYSA-N 1 0 285.387 3.357 20 10 CGCDRO COC[C@@H]([NH2+][C@H](C)c1ccc(C)c(C)c1O)C1CC1 ZINC000756768784 626730806 /nfs/dbraw/zinc/73/08/06/626730806.db2.gz MFWCTNCFWDPWID-IUODEOHRSA-N 1 0 263.381 3.085 20 10 CGCDRO C[C@@H]([NH2+][C@H](C)c1cc(F)cc(F)c1[O-])c1ccc[nH]1 ZINC000756784461 626732175 /nfs/dbraw/zinc/73/21/75/626732175.db2.gz NLITVJYYRRXMJA-RKDXNWHRSA-N 1 0 266.291 3.410 20 10 CGCDRO C[N@H+](Cc1nc2cc(F)ccc2o1)Cc1ccccc1O ZINC000756861177 626738272 /nfs/dbraw/zinc/73/82/72/626738272.db2.gz SEUPNMWVRQOZHG-UHFFFAOYSA-N 1 0 286.306 3.305 20 10 CGCDRO CCC[N@H+](CCN1CCCCC1)Cc1cc(F)ccc1O ZINC000809704816 626814946 /nfs/dbraw/zinc/81/49/46/626814946.db2.gz HVARYHBHCQDSRS-UHFFFAOYSA-N 1 0 294.414 3.229 20 10 CGCDRO COc1cccc(C[NH2+]CCC2CCC(OC)CC2)c1O ZINC000757985078 626820091 /nfs/dbraw/zinc/82/00/91/626820091.db2.gz KRKHNTJFQYHCKL-UHFFFAOYSA-N 1 0 293.407 3.086 20 10 CGCDRO CCOc1cccc(C[NH2+][C@H](c2cccnc2)C2CC2)c1O ZINC000758633197 626851967 /nfs/dbraw/zinc/85/19/67/626851967.db2.gz UHAXSMBISXDIKX-KRWDZBQOSA-N 1 0 298.386 3.427 20 10 CGCDRO C[C@@H]([NH2+]Cc1nn(C)c2ccccc12)c1ccccc1O ZINC000760898172 627001428 /nfs/dbraw/zinc/00/14/28/627001428.db2.gz PAHXFJAIEHKGKA-GFCCVEGCSA-N 1 0 281.359 3.130 20 10 CGCDRO COC[C@@H](CC(C)C)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000764903492 627232628 /nfs/dbraw/zinc/23/26/28/627232628.db2.gz USQKNUUIEXYDQB-QGZVFWFLSA-N 1 0 290.451 3.438 20 10 CGCDRO CCC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(N(C)CC)cc1 ZINC000765945934 627280584 /nfs/dbraw/zinc/28/05/84/627280584.db2.gz RJQYPSFXNGBFGW-RHSMWYFYSA-N 1 0 278.440 3.344 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H]2C[C@H](OC(C)C)C2(C)C)c1 ZINC000766091324 627295005 /nfs/dbraw/zinc/29/50/05/627295005.db2.gz XNPKKKGSSINYMQ-HOTGVXAUSA-N 1 0 277.408 3.382 20 10 CGCDRO CCc1cc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)on1 ZINC000766135617 627298342 /nfs/dbraw/zinc/29/83/42/627298342.db2.gz MJSMYZKXFJONFO-GFCCVEGCSA-N 1 0 273.380 3.154 20 10 CGCDRO CCCC[N@H+](CC)Cc1cc(OCC)ccc1O ZINC000768139151 627463049 /nfs/dbraw/zinc/46/30/49/627463049.db2.gz BXSZODRQNAUTPG-UHFFFAOYSA-N 1 0 251.370 3.413 20 10 CGCDRO CC[N@H+](Cc1cccs1)Cc1c(O)cccc1OC ZINC000768197196 627468055 /nfs/dbraw/zinc/46/80/55/627468055.db2.gz IUKVMFHAPILDDB-UHFFFAOYSA-N 1 0 277.389 3.484 20 10 CGCDRO CC[C@@H]1C[N@H+](Cc2cc3c(cc2O)CCCC3)C[C@@H](C)O1 ZINC000768448625 627480556 /nfs/dbraw/zinc/48/05/56/627480556.db2.gz UFSSLPWJVFWLSH-CXAGYDPISA-N 1 0 289.419 3.270 20 10 CGCDRO COc1cc(C[NH+]2CCC(C)(C)CC2)c(O)cc1C ZINC000768449515 627480764 /nfs/dbraw/zinc/48/07/64/627480764.db2.gz HCRFXLAANQJZAP-UHFFFAOYSA-N 1 0 263.381 3.331 20 10 CGCDRO COc1cc(C[N@@H+]2CC[C@H](C)[C@@H](C)C2)c(O)cc1C ZINC000768465009 627481464 /nfs/dbraw/zinc/48/14/64/627481464.db2.gz JAJTUVAKTDWWJI-AAEUAGOBSA-N 1 0 263.381 3.187 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)Cc1ccncc1 ZINC000768689649 627493583 /nfs/dbraw/zinc/49/35/83/627493583.db2.gz LASVALVSVBAFIM-OAHLLOKOSA-N 1 0 283.419 3.177 20 10 CGCDRO CCOc1ccc(C[N@H+](C)Cc2ccoc2C)c(O)c1 ZINC000769055590 627520446 /nfs/dbraw/zinc/52/04/46/627520446.db2.gz CLADQSNBMANWCC-UHFFFAOYSA-N 1 0 275.348 3.324 20 10 CGCDRO Oc1cccc(Cl)c1CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000769143375 627525254 /nfs/dbraw/zinc/52/52/54/627525254.db2.gz AJYYWHIQXZONRC-CYBMUJFWSA-N 1 0 294.826 3.106 20 10 CGCDRO CCC1(C)CC[NH+](Cc2c(O)cccc2OC)CC1 ZINC000769234626 627532179 /nfs/dbraw/zinc/53/21/79/627532179.db2.gz XLWCCWGJLVOXOY-UHFFFAOYSA-N 1 0 263.381 3.413 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCN(C)c3ccccc3C2)cc1 ZINC000769320867 627541317 /nfs/dbraw/zinc/54/13/17/627541317.db2.gz ZAGMKAGHRWLHPU-UHFFFAOYSA-N 1 0 295.430 3.205 20 10 CGCDRO C[C@H]1SCC[N@H+](Cc2ccc(N(C)C)c(F)c2)[C@@H]1C ZINC000769446244 627552788 /nfs/dbraw/zinc/55/27/88/627552788.db2.gz LAZWJSBXBOLHCV-VXGBXAGGSA-N 1 0 282.428 3.218 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CC(C)(C)OCC2(C)C)c1 ZINC000769444716 627552975 /nfs/dbraw/zinc/55/29/75/627552975.db2.gz CHIFZPBHWOHUEH-UHFFFAOYSA-N 1 0 263.381 3.090 20 10 CGCDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2c(O)cccc2OC)C1(C)C ZINC000769474119 627557884 /nfs/dbraw/zinc/55/78/84/627557884.db2.gz RTZIHBOSAKCTEC-HOTGVXAUSA-N 1 0 293.407 3.036 20 10 CGCDRO Cc1cccc(C[N@@H+](C)Cc2cc(C)c(C)cc2O)n1 ZINC000769480357 627558582 /nfs/dbraw/zinc/55/85/82/627558582.db2.gz NGQAPFYNSSQRFH-UHFFFAOYSA-N 1 0 270.376 3.344 20 10 CGCDRO Oc1cccc(Cl)c1C[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000769518750 627562121 /nfs/dbraw/zinc/56/21/21/627562121.db2.gz BIGVBAOAGLVBMG-CYBMUJFWSA-N 1 0 295.810 3.294 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@](C)(CC)C2)c1 ZINC000769519089 627562317 /nfs/dbraw/zinc/56/23/17/627562317.db2.gz JWTNGMSMNOUOMK-INIZCTEOSA-N 1 0 263.381 3.413 20 10 CGCDRO CSC[C@@H]1CCC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000769517869 627562583 /nfs/dbraw/zinc/56/25/83/627562583.db2.gz YPOFPFFGTRYUTN-ZDUSSCGKSA-N 1 0 282.428 3.219 20 10 CGCDRO CC(C)[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2)CCS1 ZINC000769547947 627564627 /nfs/dbraw/zinc/56/46/27/627564627.db2.gz FNVWRNXEPLIBMP-MRXNPFEDSA-N 1 0 278.465 3.326 20 10 CGCDRO CC(C)[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2O)CCO1 ZINC000771893749 627741810 /nfs/dbraw/zinc/74/18/10/627741810.db2.gz QLWCQPIJPCZRJX-DZGCQCFKSA-N 1 0 283.799 3.339 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@H]2CSC)cc1 ZINC000773765962 627913979 /nfs/dbraw/zinc/91/39/79/627913979.db2.gz PGCFYXNMWWWPMO-INIZCTEOSA-N 1 0 278.465 3.470 20 10 CGCDRO CCN(C)c1ccc(C[NH+]2CCC(C)(COC)CC2)cc1 ZINC000773825937 627917887 /nfs/dbraw/zinc/91/78/87/627917887.db2.gz YAPLPVVNUXJUEG-UHFFFAOYSA-N 1 0 290.451 3.391 20 10 CGCDRO C[C@@H]([NH2+]Cc1nccn1CC(F)(F)F)c1ccccc1O ZINC000775130817 628066099 /nfs/dbraw/zinc/06/60/99/628066099.db2.gz PBDDRKRNTRMRGP-SNVBAGLBSA-N 1 0 299.296 3.002 20 10 CGCDRO CCCN(Cc1nccs1)c1ccc(C[NH3+])cc1 ZINC000775140158 628067286 /nfs/dbraw/zinc/06/72/86/628067286.db2.gz JKZCPEFGTDBRIB-UHFFFAOYSA-N 1 0 261.394 3.018 20 10 CGCDRO C[C@H]([NH2+]Cc1cnc2ccccn12)c1ccc(N(C)C)cc1 ZINC000775366035 628086067 /nfs/dbraw/zinc/08/60/67/628086067.db2.gz YZILMNYDLACAJR-AWEZNQCLSA-N 1 0 294.402 3.251 20 10 CGCDRO CC[C@H]([NH2+]C[C@H]1CCCO1)c1cc(Cl)ccc1O ZINC000775483138 628099079 /nfs/dbraw/zinc/09/90/79/628099079.db2.gz MERWAXVOHLZMBV-YPMHNXCESA-N 1 0 269.772 3.265 20 10 CGCDRO CC[C@@H]([NH2+][C@H](CO)C(C)C)c1cc(Cl)ccc1O ZINC000775512503 628102430 /nfs/dbraw/zinc/10/24/30/628102430.db2.gz QQISVKWOYMUACZ-CHWSQXEVSA-N 1 0 271.788 3.103 20 10 CGCDRO CC[C@H]([NH2+]C[C@H](O)C(C)C)c1cc(Cl)ccc1O ZINC000775508818 628102884 /nfs/dbraw/zinc/10/28/84/628102884.db2.gz XNBIZSLCAKAWIW-JSGCOSHPSA-N 1 0 271.788 3.103 20 10 CGCDRO CC[C@H]([NH2+][C@@H](CO)c1cccc(F)c1)c1ccccc1O ZINC000775526092 628104294 /nfs/dbraw/zinc/10/42/94/628104294.db2.gz ZXHJTCXKNFNFJO-HOTGVXAUSA-N 1 0 289.350 3.306 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]2C(C)(C)C)cc1OC ZINC000775678625 628124667 /nfs/dbraw/zinc/12/46/67/628124667.db2.gz HEBRQXXDRDGEHG-MRXNPFEDSA-N 1 0 293.407 3.420 20 10 CGCDRO Cc1cccc(C[N@@H+](C)Cc2cccc(C)c2O)n1 ZINC000775715788 628128203 /nfs/dbraw/zinc/12/82/03/628128203.db2.gz KQBRETSPSIJMTQ-UHFFFAOYSA-N 1 0 256.349 3.036 20 10 CGCDRO CCCCOC(=O)CC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000775834580 628141180 /nfs/dbraw/zinc/14/11/80/628141180.db2.gz VCBFYMUBZPLAQG-AWEZNQCLSA-N 1 0 292.423 3.137 20 10 CGCDRO CC[C@]1(C)COCC[N@@H+]1Cc1cc(C)c(C)cc1O ZINC000775982004 628155666 /nfs/dbraw/zinc/15/56/66/628155666.db2.gz XDUAHLYGLODNQR-MRXNPFEDSA-N 1 0 263.381 3.010 20 10 CGCDRO C[C@@H](C[NH2+]Cc1c(O)cccc1Cl)N1CCCC[C@@H]1C ZINC000775986818 628155866 /nfs/dbraw/zinc/15/58/66/628155866.db2.gz JIROCWBKXFMSLV-STQMWFEESA-N 1 0 296.842 3.398 20 10 CGCDRO C[C@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])c1ccccn1 ZINC000776071646 628161687 /nfs/dbraw/zinc/16/16/87/628161687.db2.gz ZEZRCBJITIOIPD-VIFPVBQESA-N 1 0 280.730 3.431 20 10 CGCDRO C[N@H+](CCNCc1c(O)cccc1Cl)C1CCCCC1 ZINC000776089482 628164479 /nfs/dbraw/zinc/16/44/79/628164479.db2.gz WEUJLHPELXHUGF-UHFFFAOYSA-N 1 0 296.842 3.400 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2OC)cc1F ZINC000776174047 628176192 /nfs/dbraw/zinc/17/61/92/628176192.db2.gz ZJDOEVJSFDDIRN-WBVHZDCISA-N 1 0 294.414 3.329 20 10 CGCDRO Cc1cccc(C[NH2+]C2(c3ccccc3)CCOCC2)c1O ZINC000776175338 628176783 /nfs/dbraw/zinc/17/67/83/628176783.db2.gz PTJLXTXAUVMYPF-UHFFFAOYSA-N 1 0 297.398 3.496 20 10 CGCDRO COc1cccc2c1OCC[C@@H]2[NH2+]Cc1cccc(C)c1O ZINC000776175303 628176919 /nfs/dbraw/zinc/17/69/19/628176919.db2.gz KTXNCHVREUZCQI-HNNXBMFYSA-N 1 0 299.370 3.323 20 10 CGCDRO CO[C@@H]1[C@H](C)[C@H]([NH2+]Cc2cc(Cl)ccc2O)C1(C)C ZINC000776499722 628215210 /nfs/dbraw/zinc/21/52/10/628215210.db2.gz XTWTUODQZFGSAX-BIGNPOOSSA-N 1 0 283.799 3.195 20 10 CGCDRO COc1ccc(N2CCC([NH2+]C3(C4CC4)CC3)CC2)cc1 ZINC000777147723 628252959 /nfs/dbraw/zinc/25/29/59/628252959.db2.gz ARFXNUSECOQOCL-UHFFFAOYSA-N 1 0 286.419 3.196 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@H+]2CC[C@@H](C)[C@H](F)C2)c1 ZINC000777969483 628316594 /nfs/dbraw/zinc/31/65/94/628316594.db2.gz SUPPSCFTFTWVSR-BXUZGUMPSA-N 1 0 251.345 3.189 20 10 CGCDRO CO[C@]1(C)C[C@@H]([N@H+](C)Cc2cc(F)ccc2O)C1(C)C ZINC000779032537 628384808 /nfs/dbraw/zinc/38/48/08/628384808.db2.gz JVILBRPSSQGUIA-GDBMZVCRSA-N 1 0 281.371 3.167 20 10 CGCDRO CC(C)(C[NH2+]Cc1cc(F)ccc1O)[C@@H]1CCCCO1 ZINC000779090568 628388312 /nfs/dbraw/zinc/38/83/12/628388312.db2.gz JIJHGZWTTORNFB-HNNXBMFYSA-N 1 0 281.371 3.216 20 10 CGCDRO CCc1cccnc1[C@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000780724005 628510995 /nfs/dbraw/zinc/51/09/95/628510995.db2.gz MBBZGCTUDIUWHT-ZDUSSCGKSA-N 1 0 282.387 3.430 20 10 CGCDRO CC[C@@H]1C[C@H](C[N@H+](C)Cc2ccccc2O)CCO1 ZINC000780756084 628514817 /nfs/dbraw/zinc/51/48/17/628514817.db2.gz BHEXRVNCFNTFKZ-UKRRQHHQSA-N 1 0 263.381 3.029 20 10 CGCDRO COCCC1(C[NH2+]Cc2ccc(N(C)C)cc2C)CCC1 ZINC000780765514 628515361 /nfs/dbraw/zinc/51/53/61/628515361.db2.gz ZPRYUAZRIWDANO-UHFFFAOYSA-N 1 0 290.451 3.357 20 10 CGCDRO CC(C)[C@@H](CC(F)(F)F)[NH2+]Cc1ccccc1O ZINC000782543759 628654022 /nfs/dbraw/zinc/65/40/22/628654022.db2.gz PBOORLNMBARDQX-LLVKDONJSA-N 1 0 261.287 3.459 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1COc2ccccc2C1)c1ccccc1O ZINC000783505451 628718627 /nfs/dbraw/zinc/71/86/27/628718627.db2.gz WXRPUBHZOWOHHC-KGLIPLIRSA-N 1 0 283.371 3.294 20 10 CGCDRO COc1nc(C)cc(C)c1C[NH2+][C@H](C)c1ccccc1O ZINC000783505595 628718868 /nfs/dbraw/zinc/71/88/68/628718868.db2.gz IFKJZCYGTXBFEM-CYBMUJFWSA-N 1 0 286.375 3.263 20 10 CGCDRO Cc1ccn2cc(C[NH2+][C@@H](C)c3ccccc3O)nc2c1 ZINC000783508723 628719344 /nfs/dbraw/zinc/71/93/44/628719344.db2.gz KFDBDHLSQFONLT-ZDUSSCGKSA-N 1 0 281.359 3.199 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H](C)OC)c1cc(Cl)ccc1O ZINC000785573127 628871638 /nfs/dbraw/zinc/87/16/38/628871638.db2.gz NRIBKEPLQPFBIJ-JOYOIKCWSA-N 1 0 257.761 3.121 20 10 CGCDRO Cc1cc(O)c(C[NH+]2CC(C)(C)OC(C)(C)C2)cc1C ZINC000785515624 628869146 /nfs/dbraw/zinc/86/91/46/628869146.db2.gz UFOKKAGDAHTUPI-UHFFFAOYSA-N 1 0 277.408 3.398 20 10 CGCDRO CC[C@H]([NH2+]CC[C@@H](OC)C(F)(F)F)c1ccccc1O ZINC000786951165 628972097 /nfs/dbraw/zinc/97/20/97/628972097.db2.gz URKXBELNBCQKCA-WCQYABFASA-N 1 0 291.313 3.400 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)CCC[C@H](C)O)cc1 ZINC000789306707 629122893 /nfs/dbraw/zinc/12/28/93/629122893.db2.gz RPMFFYIDSPDPDL-HNNXBMFYSA-N 1 0 278.440 3.126 20 10 CGCDRO Oc1ccc2ccncc2c1C[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000789508833 629141579 /nfs/dbraw/zinc/14/15/79/629141579.db2.gz SDPGQDCRBGQTIO-WMZOPIPTSA-N 1 0 298.386 3.084 20 10 CGCDRO C[C@]1(CO)CCC[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000789557057 629144958 /nfs/dbraw/zinc/14/49/58/629144958.db2.gz FGMFWZIJIJAEKY-LJQANCHMSA-N 1 0 297.398 3.406 20 10 CGCDRO CN(C)c1cc(F)c(CN(C)C[C@H]2CCCCO2)cc1F ZINC000862231728 629327763 /nfs/dbraw/zinc/32/77/63/629327763.db2.gz KNTVGXDRJQTOQC-CYBMUJFWSA-N 1 0 298.377 3.032 20 10 CGCDRO Cc1c(C[NH2+]Cc2ccc3c(c2)CCCN3C)ccnc1F ZINC000862274627 629335554 /nfs/dbraw/zinc/33/55/54/629335554.db2.gz CUWYOAQDTFTLBG-UHFFFAOYSA-N 1 0 299.393 3.201 20 10 CGCDRO CCn1ccc(C[N@H+](C)Cc2cccc(C)c2O)c1 ZINC000792182338 629346076 /nfs/dbraw/zinc/34/60/76/629346076.db2.gz CLIOFZQAOKKIIW-UHFFFAOYSA-N 1 0 258.365 3.154 20 10 CGCDRO COCC[N@H+](Cc1cc(C)ccc1O)[C@@H]1CC[C@H](C)C1 ZINC000792193005 629347503 /nfs/dbraw/zinc/34/75/03/629347503.db2.gz PNNIQZQQIZNEML-GOEBONIOSA-N 1 0 277.408 3.338 20 10 CGCDRO CCCC[N@H+](Cc1cnc(C)o1)Cc1ccccc1O ZINC000862356431 629349116 /nfs/dbraw/zinc/34/91/16/629349116.db2.gz XJWWZKCBOMHUGJ-UHFFFAOYSA-N 1 0 274.364 3.491 20 10 CGCDRO COc1cccc(O)c1C[NH+]1C[C@@H](C)C(F)(F)[C@H](C)C1 ZINC000862443976 629377218 /nfs/dbraw/zinc/37/72/18/629377218.db2.gz RLMXQRAYGGUSLT-GHMZBOCLSA-N 1 0 285.334 3.124 20 10 CGCDRO COC(=O)CC(C)(C)C[C@H](C)[NH2+]Cc1cc(C)ccc1O ZINC000862478679 629385025 /nfs/dbraw/zinc/38/50/25/629385025.db2.gz MEDYPIXGQRJALG-ZDUSSCGKSA-N 1 0 293.407 3.158 20 10 CGCDRO CO[C@]1(C)CCC[N@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000793216556 629429554 /nfs/dbraw/zinc/42/95/54/629429554.db2.gz IMBXOGDKAAVOKB-OAHLLOKOSA-N 1 0 283.799 3.355 20 10 CGCDRO COc1ccc(C[NH2+]Cc2cc(Cl)cs2)c(O)c1 ZINC000793389430 629452733 /nfs/dbraw/zinc/45/27/33/629452733.db2.gz YFJVEMRLAOCWCB-UHFFFAOYSA-N 1 0 283.780 3.406 20 10 CGCDRO CC[N@@H+](Cc1ccc(N(C)C)c(F)c1)CC1CC1 ZINC000125640549 634741953 /nfs/dbraw/zinc/74/19/53/634741953.db2.gz RPSQZRDCIXWIDY-UHFFFAOYSA-N 1 0 250.361 3.124 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(OC)nc1)c1ccc(C)cc1O ZINC000794794930 629577567 /nfs/dbraw/zinc/57/75/67/629577567.db2.gz SKYXPSXWPIDDJU-HNNXBMFYSA-N 1 0 286.375 3.345 20 10 CGCDRO CC[C@H]([NH2+]CCN1CCC(C)CC1)c1ccc(C)cc1O ZINC000794798131 629578442 /nfs/dbraw/zinc/57/84/42/629578442.db2.gz TWVMURZFGXCFEB-KRWDZBQOSA-N 1 0 290.451 3.473 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)[C@H]1CCOC1)c1ccc(C)cc1O ZINC000794803735 629579325 /nfs/dbraw/zinc/57/93/25/629579325.db2.gz SQOQFDGYBHYKKM-IPYPFGDCSA-N 1 0 263.381 3.166 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCN(CC2CC2)C1)c1ccc(C)cc1O ZINC000794803637 629579476 /nfs/dbraw/zinc/57/94/76/629579476.db2.gz CDXPYMJHYGXSFJ-RDJZCZTQSA-N 1 0 288.435 3.226 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCN(C)[C@@H](C)C1)c1ccc(C)cc1O ZINC000794802828 629579643 /nfs/dbraw/zinc/57/96/43/629579643.db2.gz OYANOLJYVWUYCM-DZKIICNBSA-N 1 0 276.424 3.224 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](CO)CC2CCC2)cc1 ZINC000794832893 629583692 /nfs/dbraw/zinc/58/36/92/629583692.db2.gz IEZCHFZOGQOZIV-WMLDXEAASA-N 1 0 290.451 3.344 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2CCOC[C@@H]2C)cc1 ZINC000796497242 629790236 /nfs/dbraw/zinc/79/02/36/629790236.db2.gz HJEOSTZXGPNUNA-DOTOQJQBSA-N 1 0 290.451 3.295 20 10 CGCDRO CC[C@H]([NH2+]CCC[N@H+](C)C(C)C)c1ccc(F)cc1[O-] ZINC000796676158 629813955 /nfs/dbraw/zinc/81/39/55/629813955.db2.gz DPBMSVIHFJLHQB-HNNXBMFYSA-N 1 0 282.403 3.302 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CSC[C@@H]1C)c1cc(Cl)ccc1O ZINC000797066936 629881054 /nfs/dbraw/zinc/88/10/54/629881054.db2.gz VHXXMRMIOKVYGZ-HOTUBEGUSA-N 1 0 271.813 3.448 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C2CCC(C(F)F)CC2)c1 ZINC000799720046 630224688 /nfs/dbraw/zinc/22/46/88/630224688.db2.gz HZZUVDUITCUTCC-UHFFFAOYSA-N 1 0 285.334 3.314 20 10 CGCDRO COc1ccc(O)c(C[NH2+]CCc2ccc3[nH]ccc3c2)c1 ZINC000799739819 630229208 /nfs/dbraw/zinc/22/92/08/630229208.db2.gz PXQPRXSQBVWWQR-UHFFFAOYSA-N 1 0 296.370 3.214 20 10 CGCDRO CC[C@@H](CCO)C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808702478 630295515 /nfs/dbraw/zinc/29/55/15/630295515.db2.gz XKODKVMKJYZKFP-RYUDHWBXSA-N 1 0 285.815 3.413 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2=CCCOC2)c1O ZINC000808717750 630318456 /nfs/dbraw/zinc/31/84/56/630318456.db2.gz HFRQAKSKNOZFNW-LLVKDONJSA-N 1 0 281.783 3.351 20 10 CGCDRO CCCC[N@H+](CCOCC(F)F)Cc1ccccc1O ZINC000801599434 630347719 /nfs/dbraw/zinc/34/77/19/630347719.db2.gz NRGNEBYYQNNTFG-UHFFFAOYSA-N 1 0 287.350 3.276 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@](C)(F)C2)c1 ZINC000840101266 630593197 /nfs/dbraw/zinc/59/31/97/630593197.db2.gz RHYRHMAMYDAGCX-HNNXBMFYSA-N 1 0 251.345 3.333 20 10 CGCDRO COc1cc(C[N@@H+]2CCC[C@H](C3CC3)C2)c(O)cc1C ZINC000808230569 630631387 /nfs/dbraw/zinc/63/13/87/630631387.db2.gz LBAVCXRRBXQGMH-AWEZNQCLSA-N 1 0 275.392 3.331 20 10 CGCDRO CC[C@H](CCO)[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808697947 630666603 /nfs/dbraw/zinc/66/66/03/630666603.db2.gz ZTKUILOKPYIYIS-ZYHUDNBSSA-N 1 0 271.788 3.166 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)c2cnn(C)c2)c1O ZINC000808698702 630666686 /nfs/dbraw/zinc/66/66/86/630666686.db2.gz KKICYUBHGLQMRE-QWRGUYRKSA-N 1 0 293.798 3.499 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](C)CCCO)c1O ZINC000808701778 630667246 /nfs/dbraw/zinc/66/72/46/630667246.db2.gz ICRZKCNQTOGSFD-WDEREUQCSA-N 1 0 271.788 3.166 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](C)c2cn[nH]c2)c1O ZINC000808709469 630667804 /nfs/dbraw/zinc/66/78/04/630667804.db2.gz WRPFKWACVNNMJW-NXEZZACHSA-N 1 0 279.771 3.489 20 10 CGCDRO COC[C@H]([NH2+][C@H](C)c1cc(Cl)cc(C)c1O)C1CC1 ZINC000808707886 630667928 /nfs/dbraw/zinc/66/79/28/630667928.db2.gz BPTYAYUGVGQJAN-YGRLFVJLSA-N 1 0 283.799 3.430 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](CO)C(C)C)c1O ZINC000808718421 630670635 /nfs/dbraw/zinc/67/06/35/630670635.db2.gz OASJCBWLURBEEW-NWDGAFQWSA-N 1 0 285.815 3.269 20 10 CGCDRO CCCCN(C)C[C@H](C)[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000808732333 630672846 /nfs/dbraw/zinc/67/28/46/630672846.db2.gz JEVCYNIQCNXNHF-GJZGRUSLSA-N 1 0 278.440 3.472 20 10 CGCDRO CC(C)(CO)[C@H]([NH2+]Cc1ccccc1O)c1ccccc1 ZINC000809656374 630776148 /nfs/dbraw/zinc/77/61/48/630776148.db2.gz ZWWMLZYBPXDNPX-QGZVFWFLSA-N 1 0 285.387 3.242 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+](CC2CCC2)[C@H](C)CO)c1O ZINC000809664370 630778222 /nfs/dbraw/zinc/77/82/22/630778222.db2.gz DXMSPRJTFWACHC-GFCCVEGCSA-N 1 0 297.826 3.337 20 10 CGCDRO CCOc1ccc(C[N@H+](C)[C@H](CC)CSC)c(O)c1 ZINC000809767014 630802207 /nfs/dbraw/zinc/80/22/07/630802207.db2.gz FDCUYYBWGGDDAJ-CYBMUJFWSA-N 1 0 283.437 3.364 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CC(C)(C)C[C@@H]2C)c1O ZINC000840184448 630802406 /nfs/dbraw/zinc/80/24/06/630802406.db2.gz RYPSYCAYQPTZCX-LBPRGKRZSA-N 1 0 263.381 3.330 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)cc1 ZINC000810026970 630830136 /nfs/dbraw/zinc/83/01/36/630830136.db2.gz IHXYRTFNRVLWHS-IRXDYDNUSA-N 1 0 288.435 3.142 20 10 CGCDRO CC[C@@H](C[NH2+]Cc1ccc(N(CC)CC)c(F)c1)OC ZINC000810175999 630850274 /nfs/dbraw/zinc/85/02/74/630850274.db2.gz HABBNQJOMCDMEN-AWEZNQCLSA-N 1 0 282.403 3.187 20 10 CGCDRO CC[C@@H]([NH2+][C@H](C)[C@@H](C)OC)c1ccc(N(C)C)cc1 ZINC000810256477 630860416 /nfs/dbraw/zinc/86/04/16/630860416.db2.gz ADTXNLHCMZMTBS-XJKCOSOUSA-N 1 0 264.413 3.217 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+][C@@H](CO)C2CCCC2)c2c1c(F)ccc2O ZINC000810259899 630861143 /nfs/dbraw/zinc/86/11/43/630861143.db2.gz WPBZQGFYBTXHMZ-HONMWMINSA-N 1 0 293.382 3.220 20 10 CGCDRO CCCN(CC)C[C@@H](C)[NH2+][C@H](C)c1cc(C)ccc1O ZINC000810262585 630862221 /nfs/dbraw/zinc/86/22/21/630862221.db2.gz SWXJDSHYOTWFKT-HUUCEWRRSA-N 1 0 278.440 3.472 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CC(C)(C)[C@@H]2C2CC2)cc1 ZINC000811513230 631080626 /nfs/dbraw/zinc/08/06/26/631080626.db2.gz DWUBGSQZDOXGEN-INIZCTEOSA-N 1 0 258.409 3.373 20 10 CGCDRO CO[C@](C)(C[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F)C1CC1 ZINC000812734025 631298861 /nfs/dbraw/zinc/29/88/61/631298861.db2.gz FVUAYXKYIBVQGY-OMXAPOSASA-N 1 0 293.382 3.484 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cnn(C(C)C)c2)c1 ZINC000813330706 631410540 /nfs/dbraw/zinc/41/05/40/631410540.db2.gz DRKNQPMDJODPAO-GFCCVEGCSA-N 1 0 289.379 3.029 20 10 CGCDRO CC(C)[C@H]([NH2+]Cc1ccc(N(C)C)cc1)C1(CO)CCC1 ZINC000814169966 631536418 /nfs/dbraw/zinc/53/64/18/631536418.db2.gz PDVKBRGMXXADFF-KRWDZBQOSA-N 1 0 290.451 3.029 20 10 CGCDRO COc1cccc(C[N@@H+]2CC3(CCC3)[C@@H]2C(C)C)c1O ZINC000814171835 631536621 /nfs/dbraw/zinc/53/66/21/631536621.db2.gz VNPMZBWKUHXHLX-INIZCTEOSA-N 1 0 275.392 3.411 20 10 CGCDRO Oc1cccc(Cl)c1C[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000814178208 631538037 /nfs/dbraw/zinc/53/80/37/631538037.db2.gz HJNLMBRACCJSIW-ZDUSSCGKSA-N 1 0 295.810 3.294 20 10 CGCDRO Cc1cccc(C[N@@H+]2Cc3ccccc3O[C@H](C)C2)c1O ZINC000814177770 631538521 /nfs/dbraw/zinc/53/85/21/631538521.db2.gz OKQQNEXLSIBSCQ-CQSZACIVSA-N 1 0 283.371 3.484 20 10 CGCDRO Cc1cc(C[N@H+]2CC[C@H](C)C[C@@H]2[C@@H](C)O)ccc1N(C)C ZINC000815100814 631718050 /nfs/dbraw/zinc/71/80/50/631718050.db2.gz XNOFKKSRZFFIPH-JCKWVBRZSA-N 1 0 290.451 3.042 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2CCCCO2)c(O)c1 ZINC000815566183 631796917 /nfs/dbraw/zinc/79/69/17/631796917.db2.gz LFGMWUWOPWUDOX-UONOGXRCSA-N 1 0 263.381 3.229 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCOCC(F)(F)F)c(O)c1 ZINC000815567627 631797160 /nfs/dbraw/zinc/79/71/60/631797160.db2.gz FYBCCDIRIIFRDR-NSHDSACASA-N 1 0 291.313 3.239 20 10 CGCDRO C[N@H+](Cc1ccc2ccccc2c1O)[C@H]1CCN(C2CC2)C1 ZINC000816504273 631996264 /nfs/dbraw/zinc/99/62/64/631996264.db2.gz GOQKFPGABFTPNG-KRWDZBQOSA-N 1 0 296.414 3.214 20 10 CGCDRO CCc1cc(C[NH2+]Cc2ccc3ccccc3c2O)on1 ZINC000816527890 632004014 /nfs/dbraw/zinc/00/40/14/632004014.db2.gz CYUCMVKCZCSHNZ-UHFFFAOYSA-N 1 0 282.343 3.386 20 10 CGCDRO Cc1n[nH]cc1CCC[NH2+]Cc1ccc2ccccc2c1O ZINC000816534672 632005621 /nfs/dbraw/zinc/00/56/21/632005621.db2.gz QAKQWBCTJZLEAN-UHFFFAOYSA-N 1 0 295.386 3.299 20 10 CGCDRO C[C@@H]1CCCN(CC[NH2+]Cc2ccc3ccccc3c2O)C1 ZINC000816535458 632005982 /nfs/dbraw/zinc/00/59/82/632005982.db2.gz PCMUTSLRSGTWCB-OAHLLOKOSA-N 1 0 298.430 3.367 20 10 CGCDRO CC[C@@H](C)[C@](C)(O)C[NH2+]Cc1ccc2ccccc2c1O ZINC000816549205 632008904 /nfs/dbraw/zinc/00/89/04/632008904.db2.gz HPQZIGFPIWOVNZ-FZKQIMNGSA-N 1 0 287.403 3.432 20 10 CGCDRO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1ccc2ccccc2c1O ZINC000816557452 632011385 /nfs/dbraw/zinc/01/13/85/632011385.db2.gz QNNVUIPICHMEHF-FZKQIMNGSA-N 1 0 296.414 3.118 20 10 CGCDRO CC[C@H](CCO)C[NH2+]Cc1ccc2ccccc2c1O ZINC000816557624 632011629 /nfs/dbraw/zinc/01/16/29/632011629.db2.gz WQOJJDWPBTZBQY-CYBMUJFWSA-N 1 0 273.376 3.044 20 10 CGCDRO Oc1c(C[NH2+]C[C@@H]2CCC=CO2)ccc2ccccc21 ZINC000816584085 632017659 /nfs/dbraw/zinc/01/76/59/632017659.db2.gz BILVDWHRESYLDL-HNNXBMFYSA-N 1 0 269.344 3.328 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CC(C)(C)[C@H]1C(C)C ZINC000816624688 632026931 /nfs/dbraw/zinc/02/69/31/632026931.db2.gz DGRKFQLAMTXJLQ-OAHLLOKOSA-N 1 0 263.381 3.267 20 10 CGCDRO COc1ccc(O)c(C[NH2+]Cc2c(F)cc(F)cc2F)c1 ZINC000816651158 632037683 /nfs/dbraw/zinc/03/76/83/632037683.db2.gz WBVONFFBMBOJQO-UHFFFAOYSA-N 1 0 297.276 3.108 20 10 CGCDRO CC[C@@H]1C[C@@H]([NH2+]C/C=C/c2ccc(N(C)C)cc2)CCO1 ZINC000817414707 632145695 /nfs/dbraw/zinc/14/56/95/632145695.db2.gz ITLUGOBZXNYSEC-OZZQIWQLSA-N 1 0 288.435 3.313 20 10 CGCDRO Cc1cccc(C[N@@H+](C)C2CC(OC(C)(C)C)C2)c1O ZINC000817415958 632146476 /nfs/dbraw/zinc/14/64/76/632146476.db2.gz CAEXQQKTOBUVQB-UHFFFAOYSA-N 1 0 277.408 3.479 20 10 CGCDRO c1cc(N2CCCCC2)ccc1CN1CCC2(CC[NH2+]2)CC1 ZINC000817865703 632228287 /nfs/dbraw/zinc/22/82/87/632228287.db2.gz MZDFWZXSOZWOLB-UHFFFAOYSA-N 1 0 299.462 3.005 20 10 CGCDRO C[C@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccccc1 ZINC000817938071 632237273 /nfs/dbraw/zinc/23/72/73/632237273.db2.gz CUVGQCQCANHMHO-KBXCAEBGSA-N 1 0 283.419 3.103 20 10 CGCDRO CN(C)c1ccc([C@@H](N)C[NH2+][C@H]2CCc3ccccc32)cc1 ZINC000817938894 632238829 /nfs/dbraw/zinc/23/88/29/632238829.db2.gz VFBAKPXUFXFHIS-OALUTQOASA-N 1 0 295.430 3.030 20 10 CGCDRO CN(C)c1ccc([C@H](N)C[NH2+][C@H]2CCC23CCCC3)cc1 ZINC000817942520 632240243 /nfs/dbraw/zinc/24/02/43/632240243.db2.gz PIHPXGRQPMDREB-SJORKVTESA-N 1 0 287.451 3.065 20 10 CGCDRO C[C@H](CC(C)(C)C)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000817944344 632242030 /nfs/dbraw/zinc/24/20/30/632242030.db2.gz ZNKRETLNRKZPRW-CJNGLKHVSA-N 1 0 277.456 3.167 20 10 CGCDRO C[C@@H](N[C@@H]1CC[NH2+]C1)c1ccc(N2CCCCCC2)cc1 ZINC000817945147 632242203 /nfs/dbraw/zinc/24/22/03/632242203.db2.gz VTXOMYGDRHUGRX-NVXWUHKLSA-N 1 0 287.451 3.080 20 10 CGCDRO C[C@@H](NC[C@H]1CCCC[NH2+]1)c1ccc2ccccc2c1O ZINC000817948809 632245783 /nfs/dbraw/zinc/24/57/83/632245783.db2.gz DLKZSGJSONAKGM-UKRRQHHQSA-N 1 0 284.403 3.338 20 10 CGCDRO Nc1ccc(CC[NH2+][C@H]2CCc3c2cc(F)cc3F)cc1 ZINC000817956262 632251154 /nfs/dbraw/zinc/25/11/54/632251154.db2.gz VEVFGHSIFBVDAJ-KRWDZBQOSA-N 1 0 288.341 3.367 20 10 CGCDRO C[C@H]([NH2+]CCc1ccc(N)cc1)c1nc2ccccc2n1C ZINC000817956005 632251198 /nfs/dbraw/zinc/25/11/98/632251198.db2.gz NHNUANZWVBWLAC-ZDUSSCGKSA-N 1 0 294.402 3.049 20 10 CGCDRO CCO[C@H]1C[C@@H]([NH2+]CCc2ccc(N)cc2)C12CCCC2 ZINC000817956825 632251942 /nfs/dbraw/zinc/25/19/42/632251942.db2.gz DOADEVIOYARFJJ-SJORKVTESA-N 1 0 288.435 3.139 20 10 CGCDRO CC(C)C[C@H](CN)[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000817958380 632253368 /nfs/dbraw/zinc/25/33/68/632253368.db2.gz IYNCQZDLXZZGTG-WZRBSPASSA-N 1 0 280.387 3.043 20 10 CGCDRO CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817958395 632253941 /nfs/dbraw/zinc/25/39/41/632253941.db2.gz JHJVPYHJBDFQNO-GZMMTYOYSA-N 1 0 291.222 3.333 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1ccc(F)cc1[O-] ZINC000817961394 632257559 /nfs/dbraw/zinc/25/75/59/632257559.db2.gz XZATWMAVJQJPKM-BYCMXARLSA-N 1 0 280.387 3.090 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)N[C@@H]2C[NH2+]CC[C@H]2C)c1O ZINC000817968031 632261928 /nfs/dbraw/zinc/26/19/28/632261928.db2.gz GHHLILGQETYSPG-OLUVUFQESA-N 1 0 282.815 3.003 20 10 CGCDRO C[C@@H](N[C@@H](C)C[NH3+])c1ccc(N2CCCCCC2)cc1 ZINC000817970366 632264844 /nfs/dbraw/zinc/26/48/44/632264844.db2.gz SJRGTCDUKDGFBR-LSDHHAIUSA-N 1 0 275.440 3.065 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)CCCC[NH3+])c1ccc(F)cc1[O-] ZINC000817976738 632267208 /nfs/dbraw/zinc/26/72/08/632267208.db2.gz SSJPHMCYBPLQBS-FZMZJTMJSA-N 1 0 268.376 3.090 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1cccc(Cl)c1[O-] ZINC000817984715 632274627 /nfs/dbraw/zinc/27/46/27/632274627.db2.gz XRWZIAZAAPFUGR-RISCZKNCSA-N 1 0 282.815 3.228 20 10 CGCDRO CC(C)n1cncc1C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000818202319 632297710 /nfs/dbraw/zinc/29/77/10/632297710.db2.gz BJTPSCNKEJKTTQ-CQSZACIVSA-N 1 0 286.423 3.381 20 10 CGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CC[C@@H](C)C3)C2)cc1 ZINC000818219218 632299239 /nfs/dbraw/zinc/29/92/39/632299239.db2.gz ANVYHBXWACSFAR-BZUAXINKSA-N 1 0 288.435 3.300 20 10 CGCDRO COc1cccc(O)c1C[NH2+][C@H]1C[C@]1(F)c1ccccc1 ZINC000818231085 632300386 /nfs/dbraw/zinc/30/03/86/632300386.db2.gz VCYXIKUFRFAGQU-IRXDYDNUSA-N 1 0 287.334 3.128 20 10 CGCDRO Oc1ccccc1C[NH2+][C@H]1C[C@]1(F)c1ccccc1 ZINC000818229874 632300518 /nfs/dbraw/zinc/30/05/18/632300518.db2.gz GBBWKLVNTFADBU-HOTGVXAUSA-N 1 0 257.308 3.119 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)cc1 ZINC000865762169 632883188 /nfs/dbraw/zinc/88/31/88/632883188.db2.gz WQBFRVTZXHTUPJ-AEFFLSMTSA-N 1 0 288.435 3.047 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]C2([C@@H]3CCCCO3)CCC2)c1 ZINC000865856401 632921031 /nfs/dbraw/zinc/92/10/31/632921031.db2.gz HTRKOQBLAQGBTK-INIZCTEOSA-N 1 0 275.392 3.282 20 10 CGCDRO CCC[C@@H](CCO)[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000866415173 633127121 /nfs/dbraw/zinc/12/71/21/633127121.db2.gz QRIMTKQFNMHECG-KBPBESRZSA-N 1 0 265.397 3.211 20 10 CGCDRO CCC[C@H](CCO)[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000866415175 633127618 /nfs/dbraw/zinc/12/76/18/633127618.db2.gz QRIMTKQFNMHECG-UONOGXRCSA-N 1 0 265.397 3.211 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)[C@@H](O)C(F)(F)F ZINC000866462892 633144675 /nfs/dbraw/zinc/14/46/75/633144675.db2.gz CLAUNCMGXDWZTA-MVKOHCKWSA-N 1 0 297.704 3.008 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)c1ccccc1O ZINC000866499578 633161212 /nfs/dbraw/zinc/16/12/12/633161212.db2.gz LTMDRTAAYAFQJV-OUAUKWLOSA-N 1 0 259.271 3.384 20 10 CGCDRO COC(C)(C)CC[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000866505209 633164925 /nfs/dbraw/zinc/16/49/25/633164925.db2.gz VETYZPNKBKJJJB-ZYHUDNBSSA-N 1 0 281.371 3.484 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1CCC12CCOCC2)c1ccccc1O ZINC000866528312 633172564 /nfs/dbraw/zinc/17/25/64/633172564.db2.gz DOHPUFWZPMZWOM-KGLIPLIRSA-N 1 0 275.392 3.250 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1CCC12CCOCC2)c1cc(F)ccc1O ZINC000866529872 633174413 /nfs/dbraw/zinc/17/44/13/633174413.db2.gz SYTHTLCSUHMSON-STQMWFEESA-N 1 0 293.382 3.389 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]C1([C@H]3CCCCO3)CCC1)CC2 ZINC000866622548 633219198 /nfs/dbraw/zinc/21/91/98/633219198.db2.gz GJZFVIDSFMMVSF-GDBMZVCRSA-N 1 0 287.403 3.461 20 10 CGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@H]1CCO[C@H](CC)C1 ZINC000824291119 633223735 /nfs/dbraw/zinc/22/37/35/633223735.db2.gz ACFFVBBTVGPISG-DLBZAZTESA-N 1 0 276.424 3.319 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CCC[C@@](C)(F)C2)c(O)c1 ZINC000824472888 633248620 /nfs/dbraw/zinc/24/86/20/633248620.db2.gz ZZIVSNVRYXBPQN-OAHLLOKOSA-N 1 0 267.344 3.115 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CC(O)(CC)CC)cc1 ZINC000121899170 633275164 /nfs/dbraw/zinc/27/51/64/633275164.db2.gz LDXAMZSREWDGTD-AWEZNQCLSA-N 1 0 278.440 3.344 20 10 CGCDRO CC(C)[C@@H]1C[C@@H](C[NH2+]Cc2cc(F)ccc2O)CCO1 ZINC000824798256 633293526 /nfs/dbraw/zinc/29/35/26/633293526.db2.gz AOOZQSABEKCVTI-LRDDRELGSA-N 1 0 281.371 3.072 20 10 CGCDRO Cc1cc(O)c(C[N@@H+](C)CC2(O)CCCC2)cc1Cl ZINC000824829648 633297482 /nfs/dbraw/zinc/29/74/82/633297482.db2.gz JXASQFLAODTWFO-UHFFFAOYSA-N 1 0 283.799 3.091 20 10 CGCDRO Cc1cccc(O)c1C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000876581961 634862154 /nfs/dbraw/zinc/86/21/54/634862154.db2.gz RWUWODRWXWFROD-UHFFFAOYSA-N 1 0 286.331 3.241 20 10 CGCDRO CC(C)[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@@H](CO)C(C)C ZINC000824844927 633300154 /nfs/dbraw/zinc/30/01/54/633300154.db2.gz FUGRRGKYPGQZGJ-FUHWJXTLSA-N 1 0 291.435 3.000 20 10 CGCDRO CC(C)[C@H](CO)[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)C(C)C ZINC000824844931 633300584 /nfs/dbraw/zinc/30/05/84/633300584.db2.gz FUGRRGKYPGQZGJ-WMZOPIPTSA-N 1 0 291.435 3.000 20 10 CGCDRO CO[C@H]1C[C@H]([N@H+](C)Cc2cccc(C)c2O)C12CCC2 ZINC000825104335 633329172 /nfs/dbraw/zinc/32/91/72/633329172.db2.gz UHMCHVYQKFAOOO-GJZGRUSLSA-N 1 0 275.392 3.090 20 10 CGCDRO CCOc1ccc(CNc2ccc3c([nH+]2)CCC3)c(O)c1 ZINC000825123708 633331014 /nfs/dbraw/zinc/33/10/14/633331014.db2.gz BXYSPZPUPPRUBV-UHFFFAOYSA-N 1 0 284.359 3.287 20 10 CGCDRO Cc1cc(O)c(C[NH2+]Cc2ccccc2CO)cc1Cl ZINC000825138504 633331830 /nfs/dbraw/zinc/33/18/30/633331830.db2.gz OBOVQVPSSXCSHG-UHFFFAOYSA-N 1 0 291.778 3.136 20 10 CGCDRO COc1cc(O)c(C[NH2+][C@H](C)C2CCCC2)cc1OC ZINC000825184269 633334532 /nfs/dbraw/zinc/33/45/32/633334532.db2.gz ZFQRQDFWEBKYFJ-LLVKDONJSA-N 1 0 279.380 3.078 20 10 CGCDRO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000825284273 633342305 /nfs/dbraw/zinc/34/23/05/633342305.db2.gz IYXYHLRJFYGUIH-TZMCWYRMSA-N 1 0 269.772 3.093 20 10 CGCDRO C[C@H]1C[C@H](C)[NH+]1Cc1ccc(Br)cc1O ZINC000825738557 633379221 /nfs/dbraw/zinc/37/92/21/633379221.db2.gz PRSLFANKNPWKPL-IUCAKERBSA-N 1 0 270.170 3.137 20 10 CGCDRO COc1cccnc1C[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000826100876 633405528 /nfs/dbraw/zinc/40/55/28/633405528.db2.gz WQVCGRHJNGHGBB-UHFFFAOYSA-N 1 0 292.766 3.047 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)C1CC1 ZINC000122477474 633414641 /nfs/dbraw/zinc/41/46/41/633414641.db2.gz GLDAGGTZNNTYLX-AWEZNQCLSA-N 1 0 250.361 3.170 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H](C)c1ccccn1 ZINC000826803367 633434731 /nfs/dbraw/zinc/43/47/31/633434731.db2.gz NHNQXNHOADQDFC-HNNXBMFYSA-N 1 0 283.419 3.349 20 10 CGCDRO Cc1ccncc1CC[NH2+]Cc1ccc(N(C)C)cc1C ZINC000826920690 633444044 /nfs/dbraw/zinc/44/40/44/633444044.db2.gz KLUSIMFZTNVFII-UHFFFAOYSA-N 1 0 283.419 3.097 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CCC[C@@H](C)O2)c1O ZINC000827252094 633474935 /nfs/dbraw/zinc/47/49/35/633474935.db2.gz WVMKZYUEHZSHPY-RISCZKNCSA-N 1 0 283.799 3.401 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@]1(C)CC1(F)F ZINC000827251775 633475126 /nfs/dbraw/zinc/47/51/26/633475126.db2.gz NEKHKPZBHTZTRR-CQSZACIVSA-N 1 0 268.351 3.196 20 10 CGCDRO C[C@@H]1CC[N@H+](C/C=C\c2ccc(N(C)C)cc2)C[C@H](C)O1 ZINC000827371452 633485683 /nfs/dbraw/zinc/48/56/83/633485683.db2.gz VCTBRGULNUMXNZ-OKQSBHACSA-N 1 0 288.435 3.265 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)c1cncs1 ZINC000122697410 633492512 /nfs/dbraw/zinc/49/25/12/633492512.db2.gz WUXYSIAGTXFPAZ-LBPRGKRZSA-N 1 0 275.421 3.368 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CCOC2(C)C)c1O ZINC000827707498 633511274 /nfs/dbraw/zinc/51/12/74/633511274.db2.gz QCXBKIPOQRMYPY-LBPRGKRZSA-N 1 0 283.799 3.259 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2C[C@H]3CCC[C@@H]3O2)c1O ZINC000872106397 634029243 /nfs/dbraw/zinc/02/92/43/634029243.db2.gz GADVGMQLEAITGK-XFMPKHEZSA-N 1 0 291.391 3.009 20 10 CGCDRO COC[C@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000832620709 634075502 /nfs/dbraw/zinc/07/55/02/634075502.db2.gz LIXHWCAIPXETPQ-MRXNPFEDSA-N 1 0 276.424 3.062 20 10 CGCDRO C[C@@H](CCCc1cccnc1)[NH2+]Cc1ccccc1O ZINC000834554646 634182050 /nfs/dbraw/zinc/18/20/50/634182050.db2.gz FKTIWPKHVRCPGF-AWEZNQCLSA-N 1 0 270.376 3.288 20 10 CGCDRO CO[C@H]1C[C@@H]([NH2+]CCCSc2nccs2)C12CCC2 ZINC000834593010 634193977 /nfs/dbraw/zinc/19/39/77/634193977.db2.gz GSBZMGBPUQRMIV-NEPJUHHUSA-N 1 0 298.477 3.173 20 10 CGCDRO CCC1(O)CCC([NH2+][C@@H]2CCc3cccc(O)c32)CC1 ZINC000834630119 634202475 /nfs/dbraw/zinc/20/24/75/634202475.db2.gz VSOWEUWMTCXXCF-XOYHFGRZSA-N 1 0 275.392 3.053 20 10 CGCDRO C[C@H](c1ccccc1)[C@@H](CO)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834653942 634208991 /nfs/dbraw/zinc/20/89/91/634208991.db2.gz HALXFRUVPHZRPX-XOKHGSTOSA-N 1 0 297.398 3.134 20 10 CGCDRO CCCOc1ccc(C[NH2+]CCCCOC)cc1C ZINC000873014155 634230840 /nfs/dbraw/zinc/23/08/40/634230840.db2.gz MZKAYYCHYZXSPJ-UHFFFAOYSA-N 1 0 265.397 3.300 20 10 CGCDRO OC[C@H](C[NH2+][C@@H]1CCc2cccc(O)c21)CC1CCCC1 ZINC000834790690 634243479 /nfs/dbraw/zinc/24/34/79/634243479.db2.gz UUZGWOYUYKBFPA-GOEBONIOSA-N 1 0 289.419 3.158 20 10 CGCDRO C[C@H](CCCO)C[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000834870121 634260037 /nfs/dbraw/zinc/26/00/37/634260037.db2.gz GHNOVHBQUPGXPC-MDZLAQPJSA-N 1 0 281.371 3.078 20 10 CGCDRO COc1cccc(C[NH2+]CCC[C@H]2C=CCC2)c1O ZINC000873153645 634260785 /nfs/dbraw/zinc/26/07/85/634260785.db2.gz CCHJSSQBZAXSBP-ZDUSSCGKSA-N 1 0 261.365 3.237 20 10 CGCDRO C[C@H]1C[C@@H]([NH2+]CCC(C)(C)CO)c2c1c(F)ccc2O ZINC000834871849 634261043 /nfs/dbraw/zinc/26/10/43/634261043.db2.gz UFMWNSXEBUUKNC-CMPLNLGQSA-N 1 0 281.371 3.078 20 10 CGCDRO CC(C)[C@@H]1C[C@@H](C[NH2+][C@H]2CCc3cccc(O)c32)CCO1 ZINC000834884840 634266565 /nfs/dbraw/zinc/26/65/65/634266565.db2.gz DBOYHNBIEQYSNZ-QRTARXTBSA-N 1 0 289.419 3.420 20 10 CGCDRO CO[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000834886097 634267435 /nfs/dbraw/zinc/26/74/35/634267435.db2.gz HIXMRMOWRDLDER-XIDUGBJDSA-N 1 0 279.355 3.237 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1CCC[C@H]1OC)c1ccc(C)cc1O ZINC000834886470 634267679 /nfs/dbraw/zinc/26/76/79/634267679.db2.gz MHWGLXLZDFUCFO-IIAWOOMASA-N 1 0 263.381 3.309 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H](C)n3ccnc32)c(O)c1 ZINC000834894261 634272078 /nfs/dbraw/zinc/27/20/78/634272078.db2.gz JVFHEGUXYNOEKQ-MBNYWOFBSA-N 1 0 271.364 3.254 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H](C)n3ccnc32)c(O)c1 ZINC000834894263 634272149 /nfs/dbraw/zinc/27/21/49/634272149.db2.gz JVFHEGUXYNOEKQ-SGMGOOAPSA-N 1 0 271.364 3.254 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1CCCC[C@H]1O)c1cc(Cl)ccc1O ZINC000834899066 634275162 /nfs/dbraw/zinc/27/51/62/634275162.db2.gz FKZVARLNVWZUBU-UHIISALHSA-N 1 0 283.799 3.247 20 10 CGCDRO Cc1nccnc1[C@@H](C)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000873187228 634276320 /nfs/dbraw/zinc/27/63/20/634276320.db2.gz OFCPFHMQUIFTBO-VBROQKIQSA-N 1 0 296.418 3.215 20 10 CGCDRO CCC1(C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)COC1 ZINC000834900331 634276599 /nfs/dbraw/zinc/27/65/99/634276599.db2.gz PCOMQHJDVJBFGU-NSHDSACASA-N 1 0 283.799 3.431 20 10 CGCDRO CCc1ncc(C[NH2+][C@H](C)c2cc(Cl)ccc2O)o1 ZINC000834900159 634276920 /nfs/dbraw/zinc/27/69/20/634276920.db2.gz NGPPBMACGMKTNW-SECBINFHSA-N 1 0 280.755 3.447 20 10 CGCDRO CC[C@H]([NH2+]CC1(CC)COC1)c1ccc(C)cc1O ZINC000834900644 634277894 /nfs/dbraw/zinc/27/78/94/634277894.db2.gz QOOLDFVGKNOHPO-AWEZNQCLSA-N 1 0 263.381 3.168 20 10 CGCDRO CC[C@@H]([NH2+][C@H]1COCC1(C)C)c1ccc(C)cc1O ZINC000834904347 634281406 /nfs/dbraw/zinc/28/14/06/634281406.db2.gz NRIJJTJWGZNDTE-HIFRSBDPSA-N 1 0 263.381 3.166 20 10 CGCDRO CCO[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1ccc(C)cc1O ZINC000834914588 634286648 /nfs/dbraw/zinc/28/66/48/634286648.db2.gz VHNLHJXLWZZOQC-XNRPHZJLSA-N 1 0 263.381 3.309 20 10 CGCDRO CN(C)c1ccc(CNc2ccc([C@@H]3C[C@H]3[NH3+])cc2)cc1F ZINC000873217011 634287394 /nfs/dbraw/zinc/28/73/94/634287394.db2.gz FEEGYLPLXKBKIR-DOTOQJQBSA-N 1 0 299.393 3.318 20 10 CGCDRO CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000873224260 634291896 /nfs/dbraw/zinc/29/18/96/634291896.db2.gz YQVKCIWIVDRARE-INIZCTEOSA-N 1 0 296.842 3.243 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H]1Cc2ccccc2CN1)c1ccccc1O ZINC000873295001 634323992 /nfs/dbraw/zinc/32/39/92/634323992.db2.gz XFEJHBHQFMJTCU-SJLPKXTDSA-N 1 0 296.414 3.147 20 10 CGCDRO Cc1ccc(CC[NH2+]C/C=C/c2ccc(N(C)C)cc2)cn1 ZINC000835041181 634329217 /nfs/dbraw/zinc/32/92/17/634329217.db2.gz WOQPTJSYVVRZOT-SNAWJCMRSA-N 1 0 295.430 3.302 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+]C(C)(C)c2cnn(C)c2)cc1 ZINC000835039447 634329550 /nfs/dbraw/zinc/32/95/50/634329550.db2.gz HFCSCWIKSLIMHW-VOTSOKGWSA-N 1 0 298.434 3.024 20 10 CGCDRO C[C@@H]1CC([NH2+]C/C=C\c2ccc(N(C)C)cc2)C[C@H](C)O1 ZINC000835042615 634330379 /nfs/dbraw/zinc/33/03/79/634330379.db2.gz WEUYWBXVJGJYET-DVWZDISZSA-N 1 0 288.435 3.311 20 10 CGCDRO COCCC1(C[NH2+]C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000835043581 634331233 /nfs/dbraw/zinc/33/12/33/634331233.db2.gz SFAIIAQRAFPPPO-SNAWJCMRSA-N 1 0 288.435 3.172 20 10 CGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CCCSCC2)cc1 ZINC000835045361 634332716 /nfs/dbraw/zinc/33/27/16/634332716.db2.gz VILSWGITXLYWJO-HWKANZROSA-N 1 0 276.449 3.205 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+]C2(CO)CCCCC2)cc1 ZINC000835046282 634333717 /nfs/dbraw/zinc/33/37/17/634333717.db2.gz IFMJNSQAZWIBMT-VOTSOKGWSA-N 1 0 288.435 3.051 20 10 CGCDRO CCC[C@@]1([NH2+]C/C=C/c2ccc(N(C)C)cc2)CCOC1 ZINC000835053394 634337939 /nfs/dbraw/zinc/33/79/39/634337939.db2.gz MOFPPSKLAUFDRD-DUMMIQTOSA-N 1 0 288.435 3.315 20 10 CGCDRO CC[N@H+](C/C=C/c1ccc(N(C)C)cc1)C[C@H](C)OC ZINC000835055746 634339030 /nfs/dbraw/zinc/33/90/30/634339030.db2.gz OGQRHLFECVNODJ-KIUWMYQTSA-N 1 0 276.424 3.123 20 10 CGCDRO COCC(C)(C)[N@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835055774 634339082 /nfs/dbraw/zinc/33/90/82/634339082.db2.gz OLENEVFQGWJCRH-BQYQJAHWSA-N 1 0 276.424 3.123 20 10 CGCDRO CO[C@](C)(C[NH2+]C/C=C/c1ccc(N(C)C)cc1)C1CC1 ZINC000835055764 634339392 /nfs/dbraw/zinc/33/93/92/634339392.db2.gz OKACCJBLOUSXMC-DUMMIQTOSA-N 1 0 288.435 3.171 20 10 CGCDRO COc1cc(O)c(C[NH2+][C@H](C)CC(C)(C)C)cc1OC ZINC000835066630 634343955 /nfs/dbraw/zinc/34/39/55/634343955.db2.gz ZIVKBZVJRNVSRJ-LLVKDONJSA-N 1 0 281.396 3.324 20 10 CGCDRO CCOc1ccc(C[NH2+]Cc2ccc(C)cc2O)cc1 ZINC000876969000 634940344 /nfs/dbraw/zinc/94/03/44/634940344.db2.gz VYMCDURNYJCBSK-UHFFFAOYSA-N 1 0 271.360 3.389 20 10 CGCDRO COc1nc(C)cc(C)c1C[NH2+]Cc1c(C)cccc1O ZINC000877004043 634947606 /nfs/dbraw/zinc/94/76/06/634947606.db2.gz GAGRWXVWCZIYRT-UHFFFAOYSA-N 1 0 286.375 3.011 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H](CCO)C2CCCCC2)c(O)c1 ZINC000877128642 634993474 /nfs/dbraw/zinc/99/34/74/634993474.db2.gz VPJBFBZVRIVUHF-INIZCTEOSA-N 1 0 277.408 3.122 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000877194658 635011874 /nfs/dbraw/zinc/01/18/74/635011874.db2.gz BKDFNOHMXZHGKJ-MRXNPFEDSA-N 1 0 282.387 3.160 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)[C@H]1C[C@H]1C ZINC000840721963 635042285 /nfs/dbraw/zinc/04/22/85/635042285.db2.gz XBTYZDHUWFUFLO-MDZLAQPJSA-N 1 0 250.361 3.026 20 10 CGCDRO Cc1cccc(O)c1C[NH2+][C@H]1CCOc2ccc(F)cc21 ZINC000877459393 635044818 /nfs/dbraw/zinc/04/48/18/635044818.db2.gz JAHFKFDXIHZQAD-HNNXBMFYSA-N 1 0 287.334 3.453 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1F)c1cc(F)ccc1O ZINC000840876996 635071199 /nfs/dbraw/zinc/07/11/99/635071199.db2.gz WGYGXZPUJKXEKR-OASPWFOLSA-N 1 0 255.308 3.463 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccncc2)c(O)c1 ZINC000877524409 635071848 /nfs/dbraw/zinc/07/18/48/635071848.db2.gz XHHMQVZBXJAXHV-INIZCTEOSA-N 1 0 268.360 3.433 20 10 CGCDRO Cc1noc(C)c1C[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840883562 635073410 /nfs/dbraw/zinc/07/34/10/635073410.db2.gz FZZYSSSVVTTYGB-UHFFFAOYSA-N 1 0 280.755 3.249 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCc2ccccc2O)c(Cl)c1 ZINC000840892048 635076287 /nfs/dbraw/zinc/07/62/87/635076287.db2.gz XLBJBFPNTGZCFO-UHFFFAOYSA-N 1 0 291.778 3.392 20 10 CGCDRO CCOC[C@H](C)[NH2+][C@H](C)Cc1ccc(N(C)C)cc1C ZINC000840894119 635077126 /nfs/dbraw/zinc/07/71/26/635077126.db2.gz PIMDBKBEEUBOLP-CABCVRRESA-N 1 0 278.440 3.007 20 10 CGCDRO CCC[C@@H](CCO)C[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840901430 635079218 /nfs/dbraw/zinc/07/92/18/635079218.db2.gz JMTOHVAQQYIOAW-LBPRGKRZSA-N 1 0 285.815 3.242 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH+]1CCC(F)(F)CC1 ZINC000840940812 635086650 /nfs/dbraw/zinc/08/66/50/635086650.db2.gz GHBDUKPWMFUIRW-UHFFFAOYSA-N 1 0 268.351 3.292 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCOCC2(CCC2)C1 ZINC000840938891 635087266 /nfs/dbraw/zinc/08/72/66/635087266.db2.gz HRGSRUJKZFOBSD-UHFFFAOYSA-N 1 0 288.435 3.064 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000840941162 635087905 /nfs/dbraw/zinc/08/79/05/635087905.db2.gz POWLNVCIUQWSCD-KBXCAEBGSA-N 1 0 288.435 3.060 20 10 CGCDRO COc1cc([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2C)ccn1 ZINC000840945703 635089638 /nfs/dbraw/zinc/08/96/38/635089638.db2.gz VVDDBRWTVMIARY-CQSZACIVSA-N 1 0 299.418 3.315 20 10 CGCDRO COC1(CC[NH2+]Cc2ccc(N(C)C)cc2C)CCC1 ZINC000840948571 635091524 /nfs/dbraw/zinc/09/15/24/635091524.db2.gz FDFXVHOARDMKEW-UHFFFAOYSA-N 1 0 276.424 3.110 20 10 CGCDRO CO[C@](C)([C@H](C)[NH2+]Cc1ccc(N(C)C)cc1C)C1CC1 ZINC000840961688 635094438 /nfs/dbraw/zinc/09/44/38/635094438.db2.gz XTTAJMLCIQDAPX-KBXCAEBGSA-N 1 0 290.451 3.354 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]C(C)(C)COC(C)C)c1 ZINC000840974126 635098292 /nfs/dbraw/zinc/09/82/92/635098292.db2.gz XJJABOIVFSQLOZ-UHFFFAOYSA-N 1 0 281.396 3.084 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2cc(C)nc(C)c2)c(O)c1 ZINC000877595076 635106023 /nfs/dbraw/zinc/10/60/23/635106023.db2.gz QPBVSOJDFGYYSY-UHFFFAOYSA-N 1 0 256.349 3.002 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000877603025 635107847 /nfs/dbraw/zinc/10/78/47/635107847.db2.gz CANUCXPBLFKODE-ZBFHGGJFSA-N 1 0 275.392 3.092 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000877604955 635108157 /nfs/dbraw/zinc/10/81/57/635108157.db2.gz SNWZNXTYUANEHG-HNNXBMFYSA-N 1 0 268.360 3.085 20 10 CGCDRO COc1ccccc1C1([NH2+]Cc2ccc(C)cc2O)CC1 ZINC000877604522 635108670 /nfs/dbraw/zinc/10/86/70/635108670.db2.gz CYVOZKQTZAZDKT-UHFFFAOYSA-N 1 0 283.371 3.488 20 10 CGCDRO Cc1cccc(O)c1C[N@H+]1CCC[C@H](OC(C)C)C1 ZINC000877610894 635111448 /nfs/dbraw/zinc/11/14/48/635111448.db2.gz LPGMAJKPWOFFHP-AWEZNQCLSA-N 1 0 263.381 3.090 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H](CN)C2CCCCC2)cc1C ZINC000841039403 635112426 /nfs/dbraw/zinc/11/24/26/635112426.db2.gz NMGCWOFOGSPNBJ-MRXNPFEDSA-N 1 0 276.424 3.006 20 10 CGCDRO CSC1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000877663231 635137870 /nfs/dbraw/zinc/13/78/70/635137870.db2.gz LSDVFHUYMMVMTI-UHFFFAOYSA-N 1 0 271.813 3.373 20 10 CGCDRO Cc1ccc(O)c(C[NH+]2CC(c3ccccc3)C2)c1 ZINC000877665720 635139046 /nfs/dbraw/zinc/13/90/46/635139046.db2.gz GMHXMFYVEYISGT-UHFFFAOYSA-N 1 0 253.345 3.300 20 10 CGCDRO Cc1cccc(C[N@@H+]2CC[C@@H](O)C[C@H]2c2ccccc2)c1O ZINC000877672504 635140887 /nfs/dbraw/zinc/14/08/87/635140887.db2.gz GFFLXNOUFMTRFH-MSOLQXFVSA-N 1 0 297.398 3.399 20 10 CGCDRO CC[C@]1(O)CCC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000877691159 635147466 /nfs/dbraw/zinc/14/74/66/635147466.db2.gz JSWUJOLVXVYIGY-SFHVURJKSA-N 1 0 285.387 3.282 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H](C2CCC2)[C@H]2CCCO2)c(O)c1 ZINC000877701314 635153056 /nfs/dbraw/zinc/15/30/56/635153056.db2.gz QGTCRNUVGJZKIU-SJORKVTESA-N 1 0 275.392 3.138 20 10 CGCDRO Cc1ccc(CC[N@@H+]2Cc3cccc(O)c3C2)cc1 ZINC000877703251 635154974 /nfs/dbraw/zinc/15/49/74/635154974.db2.gz YGLZEFROEKYPBG-UHFFFAOYSA-N 1 0 253.345 3.259 20 10 CGCDRO C[C@H]([NH2+]CC1(O)CCCCC1)c1ccc(Cl)cc1O ZINC000841746203 635221807 /nfs/dbraw/zinc/22/18/07/635221807.db2.gz CXKDVGRSPVSVLN-NSHDSACASA-N 1 0 283.799 3.391 20 10 CGCDRO C[C@H]([NH2+]C[C@@H](O)c1ccccc1)c1ccc(Cl)cc1O ZINC000841745051 635222309 /nfs/dbraw/zinc/22/23/09/635222309.db2.gz UBJCUVXMFLWCRW-MEDUHNTESA-N 1 0 291.778 3.430 20 10 CGCDRO C[C@H]([NH2+]C[C@H](O)c1ccsc1)c1ccc(Cl)cc1O ZINC000841748496 635223803 /nfs/dbraw/zinc/22/38/03/635223803.db2.gz ACPPLYCTZQVLMN-XPTSAGLGSA-N 1 0 297.807 3.491 20 10 CGCDRO C[C@@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1ccc(Cl)cc1O ZINC000841750808 635225237 /nfs/dbraw/zinc/22/52/37/635225237.db2.gz JDRJKWAZTBVHQG-RDDDGLTNSA-N 1 0 297.704 3.010 20 10 CGCDRO C[C@@H]([NH2+]CCNc1ccccn1)c1ccc(Cl)cc1O ZINC000841754206 635228995 /nfs/dbraw/zinc/22/89/95/635228995.db2.gz IVELTOQKCRZUGD-LLVKDONJSA-N 1 0 291.782 3.203 20 10 CGCDRO C[C@H]([NH2+]C[C@@H](O)CC(C)(C)C)c1ccc(Cl)cc1O ZINC000841757331 635232195 /nfs/dbraw/zinc/23/21/95/635232195.db2.gz DOHISQNORKATFG-JQWIXIFHSA-N 1 0 285.815 3.493 20 10 CGCDRO CCC(CC)[C@@H](O)C[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841762911 635233426 /nfs/dbraw/zinc/23/34/26/635233426.db2.gz KJLPONHCXNIICM-BMIGLBTASA-N 1 0 285.815 3.493 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)cc1C ZINC000842612573 635418180 /nfs/dbraw/zinc/41/81/80/635418180.db2.gz JVQIVKQHIDVVKM-DOTOQJQBSA-N 1 0 289.419 3.400 20 10 CGCDRO C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCC(C)(C)O1 ZINC000878241479 635428942 /nfs/dbraw/zinc/42/89/42/635428942.db2.gz GEZNGQIEQDHSDI-AWEZNQCLSA-N 1 0 263.381 3.172 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1CCCC(C)(C)O1)c1ccccc1O ZINC000878354096 635472803 /nfs/dbraw/zinc/47/28/03/635472803.db2.gz BIPLPNWWLLUCQQ-CHWSQXEVSA-N 1 0 263.381 3.391 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc(CO)cc1)c1ccc(C)cc1O ZINC000842896589 635508093 /nfs/dbraw/zinc/50/80/93/635508093.db2.gz XUVLIMUYRGNXSE-QGZVFWFLSA-N 1 0 285.387 3.434 20 10 CGCDRO CC[C@H](C)C[C@H](CO)[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000842917421 635511862 /nfs/dbraw/zinc/51/18/62/635511862.db2.gz ORGQGZRRQDWBAT-GMXVVIOVSA-N 1 0 285.815 3.493 20 10 CGCDRO Cc1ccc(O)c(C[N@H+](C)CCOc2ccccc2F)c1 ZINC000121525138 635546590 /nfs/dbraw/zinc/54/65/90/635546590.db2.gz QHFLCOISLMNUDS-UHFFFAOYSA-N 1 0 289.350 3.351 20 10 CGCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1ncc(Cl)s1 ZINC000843058012 635553329 /nfs/dbraw/zinc/55/33/29/635553329.db2.gz KZSFVWDSVIJSEB-UHFFFAOYSA-N 1 0 293.823 3.208 20 10 CGCDRO COc1cccc(O)c1C[N@H+](C)CCC(C)(C)C ZINC000843425815 635669922 /nfs/dbraw/zinc/66/99/22/635669922.db2.gz WUQCMSVTQDNWFS-UHFFFAOYSA-N 1 0 251.370 3.269 20 10 CGCDRO CC[C@@H](C)C[C@H](CO)[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000843426835 635671273 /nfs/dbraw/zinc/67/12/73/635671273.db2.gz BQBMLDCAZMIGEM-QMTHXVAHSA-N 1 0 285.815 3.241 20 10 CGCDRO C[C@H]1CC2(C[N@@H+]1Cc1c(O)cccc1Cl)CCOCC2 ZINC000843431592 635673322 /nfs/dbraw/zinc/67/33/22/635673322.db2.gz INYCPXWVQCTIQE-LBPRGKRZSA-N 1 0 295.810 3.437 20 10 CGCDRO CCc1ccc(C[NH2+][C@H](C)c2ccccc2O)nc1 ZINC000879649021 635826702 /nfs/dbraw/zinc/82/67/02/635826702.db2.gz HVUKPGQGFIBXMB-GFCCVEGCSA-N 1 0 256.349 3.200 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2CCC[C@H](OC(C)C)C2)cc1C ZINC000844717713 635956826 /nfs/dbraw/zinc/95/68/26/635956826.db2.gz AXJJVRDSKSHKQE-INIZCTEOSA-N 1 0 277.408 3.398 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CNc3ccccc3C2)c1 ZINC000844921556 635984028 /nfs/dbraw/zinc/98/40/28/635984028.db2.gz PLTQWHLHQRSGDG-ZFWWWQNUSA-N 1 0 282.387 3.388 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cnccc1C)c1ccccc1O ZINC000128498120 636023171 /nfs/dbraw/zinc/02/31/71/636023171.db2.gz NTIXVSBPBYXQIP-OAHLLOKOSA-N 1 0 256.349 3.337 20 10 CGCDRO CCC[C@H](C)[C@@H](CO)[NH2+][C@@H](CC)c1ccccc1O ZINC000846012776 636129173 /nfs/dbraw/zinc/12/91/73/636129173.db2.gz DLJNDDZGHXGMOE-AEGPPILISA-N 1 0 265.397 3.230 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H](C)[C@](C)(O)c2ccccc2)cc1C ZINC000846039289 636135116 /nfs/dbraw/zinc/13/51/16/636135116.db2.gz QNQIIZAREBHMPB-KXBFYZLASA-N 1 0 299.414 3.395 20 10 CGCDRO CO[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(N(C)C)cc1C ZINC000846056039 636139642 /nfs/dbraw/zinc/13/96/42/636139642.db2.gz KHNHYQAUMKIARE-IAGOWNOFSA-N 1 0 276.424 3.108 20 10 CGCDRO C[C@@H](CO)C1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC000846057348 636140081 /nfs/dbraw/zinc/14/00/81/636140081.db2.gz HICQSFZTSGJXIR-AWEZNQCLSA-N 1 0 299.414 3.386 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]CCc2cccs2)c1O ZINC000846137744 636148610 /nfs/dbraw/zinc/14/86/10/636148610.db2.gz PTSSTIJGEJZKKU-LLVKDONJSA-N 1 0 277.389 3.356 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]CCc2ccsc2)c1O ZINC000846135255 636148682 /nfs/dbraw/zinc/14/86/82/636148682.db2.gz BBOIBODYIUSSFD-LLVKDONJSA-N 1 0 277.389 3.356 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2C[C@](C)(OC)C2(C)C)c1O ZINC000846143472 636149423 /nfs/dbraw/zinc/14/94/23/636149423.db2.gz CBZJEBUDHFDAGP-KHIZAZIESA-N 1 0 293.407 3.255 20 10 CGCDRO CCC1(O)CCC([NH2+][C@@H](C)c2cccc(OC)c2O)CC1 ZINC000846146712 636149730 /nfs/dbraw/zinc/14/97/30/636149730.db2.gz KFPUYUJJGPHMBH-POZPTJLLSA-N 1 0 293.407 3.135 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@H]2CCc3c2cccc3O)c1O ZINC000846145302 636149972 /nfs/dbraw/zinc/14/99/72/636149972.db2.gz MWQKGLCEKLNBHS-NHYWBVRUSA-N 1 0 299.370 3.445 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]CC(C)(C)[C@H](O)C(C)C)c1O ZINC000846158192 636150675 /nfs/dbraw/zinc/15/06/75/636150675.db2.gz UOYCUZCJIXEGSW-MLGOLLRUSA-N 1 0 295.423 3.095 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]CC[C@@H]2CCCCO2)c1O ZINC000846163126 636151259 /nfs/dbraw/zinc/15/12/59/636151259.db2.gz KVCRTQATRCVBCN-STQMWFEESA-N 1 0 279.380 3.011 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2CC[C@@H](C)C2)c1O ZINC000846166863 636152336 /nfs/dbraw/zinc/15/23/36/636152336.db2.gz DRZJWGCMLMPMDD-FRRDWIJNSA-N 1 0 263.381 3.488 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCC[N@@H+](C)CC(C)C)c(O)c1 ZINC000846178430 636153805 /nfs/dbraw/zinc/15/38/05/636153805.db2.gz VDMFILJFUMMZAY-OAHLLOKOSA-N 1 0 278.440 3.329 20 10 CGCDRO C[C@H]([NH2+][C@@H](C1CC1)C1CCOCC1)c1cc(F)ccc1O ZINC000846188949 636156512 /nfs/dbraw/zinc/15/65/12/636156512.db2.gz RGQHPVYZDNIWNG-GTNSWQLSSA-N 1 0 293.382 3.387 20 10 CGCDRO C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000882880315 636444819 /nfs/dbraw/zinc/44/48/19/636444819.db2.gz MEZKGZBMTNPNTJ-GFCCVEGCSA-N 1 0 298.377 3.025 20 10 CGCDRO C[C@H](C[C@@H](O)c1ccco1)[NH2+]Cc1c(O)cccc1Cl ZINC000130486322 636463709 /nfs/dbraw/zinc/46/37/09/636463709.db2.gz KOENOYYCSCHJDE-QMTHXVAHSA-N 1 0 295.766 3.240 20 10 CGCDRO COc1ccc(O)c(C[NH2+]Cc2ccc(SC)o2)c1 ZINC000883000262 636501169 /nfs/dbraw/zinc/50/11/69/636501169.db2.gz UTUJDNHCEGADLJ-UHFFFAOYSA-N 1 0 279.361 3.006 20 10 CGCDRO Cc1ncncc1[C@H](C)[NH2+]CCCSc1nccs1 ZINC000848529414 636590943 /nfs/dbraw/zinc/59/09/43/636590943.db2.gz UKZFVJQAVMDSGK-JTQLQIEISA-N 1 0 294.449 3.075 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(Cl)cc1[O-] ZINC000848556739 636604122 /nfs/dbraw/zinc/60/41/22/636604122.db2.gz CDXRKNGBEOLQEU-GMXVVIOVSA-N 1 0 282.815 3.036 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H](C2CC2)[C@@H]2CCCCO2)cc1C ZINC000848560329 636606458 /nfs/dbraw/zinc/60/64/58/636606458.db2.gz LHSRQURKHIGRGM-ROUUACIJSA-N 1 0 289.419 3.446 20 10 CGCDRO COc1c(C)cccc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000848564615 636608830 /nfs/dbraw/zinc/60/88/30/636608830.db2.gz PNPXSIDPIRWRGV-UHFFFAOYSA-N 1 0 283.371 3.228 20 10 CGCDRO CCOc1cccc(C[NH2+][C@H](COC)CC(C)(C)C)c1O ZINC000848566994 636609576 /nfs/dbraw/zinc/60/95/76/636609576.db2.gz NTBOQZGSIAZSSE-AWEZNQCLSA-N 1 0 295.423 3.332 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)[C@@H]1CCCCO1 ZINC000848568005 636610108 /nfs/dbraw/zinc/61/01/08/636610108.db2.gz VYLTZPNLTCUUOE-LZWOXQAQSA-N 1 0 275.392 3.317 20 10 CGCDRO CC[NH+](CC)C[C@H]1CCN(Cc2c(O)cccc2Cl)C1 ZINC000131391274 636648761 /nfs/dbraw/zinc/64/87/61/636648761.db2.gz RYYNEBHLVVBLAO-CYBMUJFWSA-N 1 0 296.842 3.209 20 10 CGCDRO CC[C@H]1CO[C@@H](C)CN1Cc1c(O)cccc1Cl ZINC000131501719 636670082 /nfs/dbraw/zinc/67/00/82/636670082.db2.gz JNBRIRGVTBBWHP-QWRGUYRKSA-N 1 0 269.772 3.045 20 10 CGCDRO CCc1cccc(C[N@H+](CC)CCc2ccccn2)c1O ZINC000848883695 636673003 /nfs/dbraw/zinc/67/30/03/636673003.db2.gz RAFWLOKZOSIBTI-UHFFFAOYSA-N 1 0 284.403 3.414 20 10 CGCDRO CCc1cccc(C[NH2+]Cc2ccc(NC(C)=O)cc2)c1O ZINC000848893371 636678551 /nfs/dbraw/zinc/67/85/51/636678551.db2.gz VNCIDXSKJZYXAQ-UHFFFAOYSA-N 1 0 298.386 3.203 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H](C)Cc2c(C)noc2C)c1O ZINC000848897350 636679799 /nfs/dbraw/zinc/67/97/99/636679799.db2.gz PKCMJENLSLHSLC-NSHDSACASA-N 1 0 288.391 3.280 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H]2CCC[C@H]3OCC[C@H]32)c1O ZINC000848897404 636680021 /nfs/dbraw/zinc/68/00/21/636680021.db2.gz IFJVTMOBJXYMMW-ARFHVFGLSA-N 1 0 275.392 3.002 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H](CCO)c2cccs2)c1O ZINC000848898149 636680517 /nfs/dbraw/zinc/68/05/17/636680517.db2.gz YZMRUAZVNUIFME-AWEZNQCLSA-N 1 0 291.416 3.229 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)c1O ZINC000848900751 636681669 /nfs/dbraw/zinc/68/16/69/636681669.db2.gz PYGGWFDXROAEKO-DJIMGWMZSA-N 1 0 287.403 3.002 20 10 CGCDRO CCc1cccc(C[NH2+][C@H]2CCCC[C@@H]2OC)c1O ZINC000848909648 636686463 /nfs/dbraw/zinc/68/64/63/636686463.db2.gz YTBFJVOMNMXUMK-GJZGRUSLSA-N 1 0 263.381 3.002 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCOC[C@H](C3CCC3)C2)c1O ZINC000848913503 636687392 /nfs/dbraw/zinc/68/73/92/636687392.db2.gz YUAKKIVANKQZOQ-QGZVFWFLSA-N 1 0 289.419 3.203 20 10 CGCDRO COC[C@H]([NH2+][C@H](C)c1cc(C)ccc1O)C(C)C ZINC000086683482 636783455 /nfs/dbraw/zinc/78/34/55/636783455.db2.gz XIYNUFFIXQKZHW-OCCSQVGLSA-N 1 0 251.370 3.022 20 10 CGCDRO C[C@H]([NH2+]CCOC1CCCC1)c1ccc(N(C)C)cc1 ZINC000108942651 636894772 /nfs/dbraw/zinc/89/47/72/636894772.db2.gz CBGHBVATKZNEEC-AWEZNQCLSA-N 1 0 276.424 3.362 20 10 CGCDRO CCn1c(C[NH2+]Cc2ccccc2O)nc2ccccc21 ZINC000134235449 637008672 /nfs/dbraw/zinc/00/86/72/637008672.db2.gz ZDTRUJFNGCEUTJ-UHFFFAOYSA-N 1 0 281.359 3.052 20 10 CGCDRO COCC1([NH2+]C/C=C/c2ccc(N(C)C)cc2)CCCC1 ZINC000850345003 637021560 /nfs/dbraw/zinc/02/15/60/637021560.db2.gz FRWWBLSQXZFTPV-VOTSOKGWSA-N 1 0 288.435 3.315 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](CC)COCC2CC2)c1 ZINC000850349340 637022809 /nfs/dbraw/zinc/02/28/09/637022809.db2.gz FJXBLXBWRCEKJH-HNNXBMFYSA-N 1 0 293.407 3.086 20 10 CGCDRO Cc1ccncc1CC[NH2+]Cc1cc(Cl)ccc1O ZINC000850355058 637025097 /nfs/dbraw/zinc/02/50/97/637025097.db2.gz CHZHEUSCNAXIJQ-UHFFFAOYSA-N 1 0 276.767 3.081 20 10 CGCDRO CCOc1cccc(C[NH2+]CC[C@@]2(C)CC2(F)F)c1O ZINC000850380925 637040459 /nfs/dbraw/zinc/04/04/59/637040459.db2.gz QSFACDYRTGAYGO-AWEZNQCLSA-N 1 0 285.334 3.316 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]CC[C@]2(C)CC2(F)F)c1 ZINC000850380844 637040571 /nfs/dbraw/zinc/04/05/71/637040571.db2.gz OKTVJWYBLVJPNL-CQSZACIVSA-N 1 0 285.334 3.316 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@H](CO)CC2CC2)cc1 ZINC000850386439 637043023 /nfs/dbraw/zinc/04/30/23/637043023.db2.gz KBGNPJHWQKUFLK-QGZVFWFLSA-N 1 0 290.451 3.031 20 10 CGCDRO CC(C)[C@@H](O)[C@H]([NH2+]Cc1ccccc1O)c1ccccc1 ZINC000850394869 637047090 /nfs/dbraw/zinc/04/70/90/637047090.db2.gz HEZRCAKKVWQOFP-QZTJIDSGSA-N 1 0 285.387 3.240 20 10 CGCDRO CO[C@H](C[NH2+]Cc1cc(C)c(C)cc1O)C1CCCC1 ZINC000850401330 637048658 /nfs/dbraw/zinc/04/86/58/637048658.db2.gz XNDGRXWHZVXHHK-QGZVFWFLSA-N 1 0 277.408 3.304 20 10 CGCDRO COc1ccc(C[NH2+]C[C@@H](OC)C2CCCCC2)c(O)c1 ZINC000850407801 637051498 /nfs/dbraw/zinc/05/14/98/637051498.db2.gz OTLMKRIDRRFTRW-QGZVFWFLSA-N 1 0 293.407 3.086 20 10 CGCDRO COc1cccc(C[NH2+]C[C@@H](OC)C2CCCCC2)c1O ZINC000850408054 637051899 /nfs/dbraw/zinc/05/18/99/637051899.db2.gz WQKFPFVLBKNBSQ-MRXNPFEDSA-N 1 0 293.407 3.086 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCN(c2ccc(OC)cc2)C1)C1CCC1 ZINC000850485923 637086560 /nfs/dbraw/zinc/08/65/60/637086560.db2.gz CRDIPCVEVLWSSO-YJBOKZPZSA-N 1 0 288.435 3.442 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2COC(C)(C)C2)c(O)c1C ZINC000850482676 637087189 /nfs/dbraw/zinc/08/71/89/637087189.db2.gz QUTKYXUJDPCWOD-CHWSQXEVSA-N 1 0 263.381 3.227 20 10 CGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)c3ccco3)C2)cc1 ZINC000850486618 637087919 /nfs/dbraw/zinc/08/79/19/637087919.db2.gz CGIJKSYKMZVSHR-ZIAGYGMSSA-N 1 0 286.375 3.218 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+][C@H](C)C3CCCC3)C2)cc1 ZINC000850488632 637088628 /nfs/dbraw/zinc/08/86/28/637088628.db2.gz OCTOKRHPSRBXKH-ZBFHGGJFSA-N 1 0 288.435 3.442 20 10 CGCDRO CCCC[C@H](C)[NH2+][C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850489397 637089229 /nfs/dbraw/zinc/08/92/29/637089229.db2.gz SXUCOZRSPDGUNF-GJZGRUSLSA-N 1 0 276.424 3.442 20 10 CGCDRO CC[C@@H](COCC1CC1)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000850495231 637091148 /nfs/dbraw/zinc/09/11/48/637091148.db2.gz YNZBNLIEXZLQAI-GJZGRUSLSA-N 1 0 275.392 3.174 20 10 CGCDRO C[C@@H]([NH2+]C/C=C\CO)c1ccc(N2CCCCCC2)cc1 ZINC000850509789 637096579 /nfs/dbraw/zinc/09/65/79/637096579.db2.gz SQQDAOMKMANPNE-HQQUCIOCSA-N 1 0 288.435 3.266 20 10 CGCDRO C[C@H]([NH2+]CCO[C@H]1CC1(F)F)c1cc(Cl)ccc1O ZINC000850520422 637100144 /nfs/dbraw/zinc/10/01/44/637100144.db2.gz BEAFWBIOAPBZHY-UFBFGSQYSA-N 1 0 291.725 3.120 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCO[C@H]2CC2(F)F)c(O)c1 ZINC000850520907 637100331 /nfs/dbraw/zinc/10/03/31/637100331.db2.gz ITTKDOSWAMRUKU-YPMHNXCESA-N 1 0 285.334 3.084 20 10 CGCDRO CC[C@@H]([NH2+]CCO[C@@H]1CC1(F)F)c1ccc(C)cc1O ZINC000850521419 637101317 /nfs/dbraw/zinc/10/13/17/637101317.db2.gz VGKDZJDSDVJJOV-TZMCWYRMSA-N 1 0 285.334 3.166 20 10 CGCDRO CCCN1CC[C@@H]([NH2+][C@@H](C)c2ccc(Cl)cc2O)C1 ZINC000850554418 637120053 /nfs/dbraw/zinc/12/00/53/637120053.db2.gz JJEIGYMCCYREAI-WCQYABFASA-N 1 0 282.815 3.181 20 10 CGCDRO C[C@H](NC1CC([NH+]2CCCCC2)C1)c1c(O)cccc1F ZINC000886605759 637601283 /nfs/dbraw/zinc/60/12/83/637601283.db2.gz XXBDGUHOPJBCBM-HSBZDZAISA-N 1 0 292.398 3.199 20 10 CGCDRO Cc1cc(CN(C)Cc2c[nH]cn2)ccc1N1CCCCC1 ZINC000852288197 637627394 /nfs/dbraw/zinc/62/73/94/637627394.db2.gz LEPMWCLYOCYGFE-UHFFFAOYSA-N 1 0 298.434 3.340 20 10 CGCDRO COc1ccc(F)cc1CC[NH2+][C@@H](C)c1ccccc1O ZINC000886723955 637672949 /nfs/dbraw/zinc/67/29/49/637672949.db2.gz RKWYMHFEJNVEKG-LBPRGKRZSA-N 1 0 289.350 3.433 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]C[C@H]1CCC3(CCC3)CO1)CC2 ZINC000886730603 637675293 /nfs/dbraw/zinc/67/52/93/637675293.db2.gz HPIQIMBCRNWZHZ-HUUCEWRRSA-N 1 0 287.403 3.318 20 10 CGCDRO CCCCN(C(=O)C=C1CC[NH2+]CC1)c1ccccc1 ZINC000852803159 637716053 /nfs/dbraw/zinc/71/60/53/637716053.db2.gz SPUGQCPSLWBINP-UHFFFAOYSA-N 1 0 272.392 3.130 20 10 CGCDRO CCn1nccc1C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000853241021 637790881 /nfs/dbraw/zinc/79/08/81/637790881.db2.gz RSGAADHUSKFMNB-ZDUSSCGKSA-N 1 0 299.418 3.338 20 10 CGCDRO C[C@@H]([NH2+]CCOCCF)c1ccc(N2CCCCC2)cc1 ZINC000853239074 637791524 /nfs/dbraw/zinc/79/15/24/637791524.db2.gz ZBWVGYBGIIXWGJ-OAHLLOKOSA-N 1 0 294.414 3.314 20 10 CGCDRO C[C@H](CC(F)(F)F)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000223043362 637846265 /nfs/dbraw/zinc/84/62/65/637846265.db2.gz YVNJJIAKWGNWEV-SECBINFHSA-N 1 0 259.271 3.052 20 10 CGCDRO CCC1(C)CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000112011577 638025216 /nfs/dbraw/zinc/02/52/16/638025216.db2.gz HCXCHQIFKQPUGE-UHFFFAOYSA-N 1 0 277.364 3.133 20 10 CGCDRO C[NH2+]C[C@@H](C)N[C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000854231467 638029094 /nfs/dbraw/zinc/02/90/94/638029094.db2.gz DQBHBQAAGQUBKW-KGLIPLIRSA-N 1 0 293.430 3.075 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CC[C@H]2CC2(F)F)cc1C ZINC000856802845 638391691 /nfs/dbraw/zinc/39/16/91/638391691.db2.gz ZIEKDQQZWHPKMY-LBPRGKRZSA-N 1 0 255.308 3.144 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2cn(C)cn2)cc1 ZINC000924711967 638393050 /nfs/dbraw/zinc/39/30/50/638393050.db2.gz ZGQZPPCHHQVEAL-AWEZNQCLSA-N 1 0 286.423 3.117 20 10 CGCDRO COc1cccc(C[NH2+]Cc2ccc(N(C)C)cc2C)c1 ZINC000115629323 638569969 /nfs/dbraw/zinc/56/99/69/638569969.db2.gz LKTTYBJWDGFYLJ-UHFFFAOYSA-N 1 0 284.403 3.359 20 10 CGCDRO CN(C)c1cc(F)c(C[NH2+]C(C)(C)C2CC2)cc1F ZINC000858144526 638641304 /nfs/dbraw/zinc/64/13/04/638641304.db2.gz CABNFOOAGMHRLA-UHFFFAOYSA-N 1 0 268.351 3.309 20 10 CGCDRO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858174653 638649560 /nfs/dbraw/zinc/64/95/60/638649560.db2.gz VPDZPSCNHQXJDG-GDBMZVCRSA-N 1 0 298.377 3.078 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2cc(C)ccc2F)c1 ZINC000858238129 638661298 /nfs/dbraw/zinc/66/12/98/638661298.db2.gz VRJUJWQBFRZACW-UHFFFAOYSA-N 1 0 259.324 3.438 20 10 CGCDRO CCOC(=O)C1=CC[C@H]([NH2+][C@@H](CC)c2ccccc2O)C1 ZINC000858505651 638747146 /nfs/dbraw/zinc/74/71/46/638747146.db2.gz NYHFSIMPPORYJD-ZFWWWQNUSA-N 1 0 289.375 3.085 20 10 CGCDRO CCOC(=O)C1=CC[C@@H]([NH2+][C@H](C)c2cc(C)ccc2O)C1 ZINC000858504854 638747381 /nfs/dbraw/zinc/74/73/81/638747381.db2.gz ABTVGPMNXNJDCL-TZMCWYRMSA-N 1 0 289.375 3.003 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C2([C@H]3CCCCO3)CC2)c(O)c1 ZINC000927162809 638849215 /nfs/dbraw/zinc/84/92/15/638849215.db2.gz SZVYAVJPIGFFQS-CZUORRHYSA-N 1 0 275.392 3.453 20 10 CGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CCCF)c1O ZINC000187376022 638881571 /nfs/dbraw/zinc/88/15/71/638881571.db2.gz ACOBEKPXUSCIGA-SECBINFHSA-N 1 0 290.176 3.473 20 10 CGCDRO CC1CC(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC000929184618 638906327 /nfs/dbraw/zinc/90/63/27/638906327.db2.gz GUUDOXVOHHOUOE-UHFFFAOYSA-N 1 0 288.435 3.001 20 10 CGCDRO CS[C@H]1CCC[C@@H]([NH2+]Cc2cc(C)ccc2O)C1 ZINC000117394881 639326136 /nfs/dbraw/zinc/32/61/36/639326136.db2.gz JDDVXIPLMPXNSS-KGLIPLIRSA-N 1 0 265.422 3.464 20 10 CGCDRO CCCC[N@H+](CC)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000158976414 640025654 /nfs/dbraw/zinc/02/56/54/640025654.db2.gz KDFVQKVRAQWUGZ-UHFFFAOYSA-N 1 0 294.414 3.284 20 10 CGCDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccccc1O ZINC000189288080 640183934 /nfs/dbraw/zinc/18/39/34/640183934.db2.gz ZCOHEAQSUFUPLC-CYBMUJFWSA-N 1 0 266.344 3.457 20 10 CGCDRO COc1cccc(C[NH2+]CCc2cc(C)cc(C)c2)c1O ZINC000077456357 640239880 /nfs/dbraw/zinc/23/98/80/640239880.db2.gz PDUYLYCUMWYARE-UHFFFAOYSA-N 1 0 285.387 3.350 20 10 CGCDRO COc1cc(C[N@@H+]2CCS[C@@H](C)CC2)c(O)cc1C ZINC000191672243 640327092 /nfs/dbraw/zinc/32/70/92/640327092.db2.gz JJDYXXUTSAMHNZ-LBPRGKRZSA-N 1 0 281.421 3.037 20 10 CGCDRO CCC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000078901646 640352423 /nfs/dbraw/zinc/35/24/23/640352423.db2.gz WAEYTRSOLXXHDM-GFCCVEGCSA-N 1 0 282.815 3.237 20 10 CGCDRO CS[C@@H](C)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000090725684 640691209 /nfs/dbraw/zinc/69/12/09/640691209.db2.gz QDBQWDGGTULZSY-NWDGAFQWSA-N 1 0 252.427 3.155 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C[C@@H](C)O)C(C)C)cc1 ZINC000093145538 640758936 /nfs/dbraw/zinc/75/89/36/640758936.db2.gz HPVAPEFLWLSYFJ-OAHLLOKOSA-N 1 0 278.440 3.124 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)CN2CCC[C@@H](C)C2)c1 ZINC000248516351 640765092 /nfs/dbraw/zinc/76/50/92/640765092.db2.gz OUBDCJHFSBZIOB-OAGGEKHMSA-N 1 0 290.451 3.472 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCOC[C@@H]2C2CC2)cc1 ZINC000093645844 640778726 /nfs/dbraw/zinc/77/87/26/640778726.db2.gz FUITVGLTRSFSBR-GOSISDBHSA-N 1 0 288.435 3.144 20 10 CGCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC(C)(C)C2)c1O ZINC000094267499 640793483 /nfs/dbraw/zinc/79/34/83/640793483.db2.gz LBLLZRBZHGZJDW-UHFFFAOYSA-N 1 0 281.783 3.480 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]C[C@@H](O)c1cccc(F)c1 ZINC000113329158 640975317 /nfs/dbraw/zinc/97/53/17/640975317.db2.gz FQAMQHRRTPMOAK-OAHLLOKOSA-N 1 0 295.741 3.008 20 10 CGCDRO C[N@@H+](Cc1cc(-c2ccccc2)ccc1O)CC1CC(O)C1 ZINC000276715474 641029234 /nfs/dbraw/zinc/02/92/34/641029234.db2.gz HESFLMGBSHGHBM-UHFFFAOYSA-N 1 0 297.398 3.262 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)c1ccc(C)cc1O ZINC000280298067 641036092 /nfs/dbraw/zinc/03/60/92/641036092.db2.gz ZSMQUQRRVWNRQN-UJDVCPFMSA-N 1 0 261.365 3.061 20 10 CGCDRO Cc1cc(C)[nH+]c(N(C)Cc2ccc(N(C)C)cc2)c1 ZINC001156921159 805752639 /nfs/dbraw/zinc/75/26/39/805752639.db2.gz OCYFKYJUIUOVGY-UHFFFAOYSA-N 1 0 269.392 3.401 20 10 CGCDRO CCCC[C@H](O)C[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001252090086 805988801 /nfs/dbraw/zinc/98/88/01/805988801.db2.gz GZIGQIRYNSYWIQ-SFHVURJKSA-N 1 0 290.451 3.270 20 10 CGCDRO c1cc2c(cc1Nc1ccc3c(c1)C[NH2+]CCO3)CCCN2 ZINC001159791355 806173231 /nfs/dbraw/zinc/17/32/31/806173231.db2.gz MPVJLLDFIUXZDN-UHFFFAOYSA-N 1 0 295.386 3.270 20 10 CGCDRO Cc1cccc(CNc2ncc(C)c(N3CCCC3)n2)c1O ZINC001160764130 806300024 /nfs/dbraw/zinc/30/00/24/806300024.db2.gz CHMNGXJSIBGRNM-UHFFFAOYSA-N 1 0 298.390 3.011 20 10 CGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2[NH2+]C[C@H](O)C(C)C ZINC001253788898 806312244 /nfs/dbraw/zinc/31/22/44/806312244.db2.gz WSATUTMPJWJACW-WMLDXEAASA-N 1 0 291.435 3.239 20 10 CGCDRO O=C1C[C@H]2CC([NH2+]Cc3cc4ccccc4cc3O)C[C@@H]2C1 ZINC001254929485 806509973 /nfs/dbraw/zinc/50/99/73/806509973.db2.gz SPVKZOPXHLQDSY-HUUCEWRRSA-N 1 0 295.382 3.393 20 10 CGCDRO CCCC[C@@H](C)[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001255332181 806617731 /nfs/dbraw/zinc/61/77/31/806617731.db2.gz KNJDEOTTZRJBCE-GFCCVEGCSA-N 1 0 263.381 3.425 20 10 CGCDRO Oc1cc2c(cc1C[N@H+](C1CC1)C1CCCC1)OCO2 ZINC000029539874 798845138 /nfs/dbraw/zinc/84/51/38/798845138.db2.gz HBHCWBOBXIJIMA-UHFFFAOYSA-N 1 0 275.348 3.028 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000037235974 798864085 /nfs/dbraw/zinc/86/40/85/798864085.db2.gz QPYUGBATCLDZMO-ZDUSSCGKSA-N 1 0 285.391 3.007 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2Cc3ccccc3O2)c1 ZINC000038009611 798883523 /nfs/dbraw/zinc/88/35/23/798883523.db2.gz OWSSSLRRPGEQBH-ZFWWWQNUSA-N 1 0 283.371 3.355 20 10 CGCDRO COc1ccccc1C[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000124046778 798997104 /nfs/dbraw/zinc/99/71/04/798997104.db2.gz VVRVKMBGUCSNKV-HNNXBMFYSA-N 1 0 298.430 3.482 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CCOCC(F)F ZINC000231689422 799140822 /nfs/dbraw/zinc/14/08/22/799140822.db2.gz VZWXRRLGXRPVIA-GHMZBOCLSA-N 1 0 285.334 3.120 20 10 CGCDRO CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(N)cc1 ZINC000311661880 799225906 /nfs/dbraw/zinc/22/59/06/799225906.db2.gz XFCPOPKBQQCYKW-LBPRGKRZSA-N 1 0 272.314 3.432 20 10 CGCDRO Cc1cccc(OCC[NH2+][C@@H]2CCc3cccc(O)c32)c1 ZINC000315431826 799236401 /nfs/dbraw/zinc/23/64/01/799236401.db2.gz IUZAPXSCUVKGIU-MRXNPFEDSA-N 1 0 283.371 3.357 20 10 CGCDRO CCC[C@H](C[NH2+][C@@H](C)c1ccc(N(C)C)cc1)OC ZINC000381088152 799372501 /nfs/dbraw/zinc/37/25/01/799372501.db2.gz CRAVMCKTSYNFPE-XJKSGUPXSA-N 1 0 264.413 3.218 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1CC1(Cl)Cl)c1ccccc1O ZINC000381491704 799380224 /nfs/dbraw/zinc/38/02/24/799380224.db2.gz YCMPPLJBSHJXEK-RKDXNWHRSA-N 1 0 260.164 3.237 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCC(F)(F)C2)c1O ZINC000381943486 799390542 /nfs/dbraw/zinc/39/05/42/799390542.db2.gz ZMCCKLJTXJIYPW-SNVBAGLBSA-N 1 0 291.725 3.332 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cccc(OC)c1O)C1CCCC1 ZINC000382783253 799397443 /nfs/dbraw/zinc/39/74/43/799397443.db2.gz IEDBREUEDXIGJI-CQSZACIVSA-N 1 0 263.381 3.459 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)[C@@H](C)O1 ZINC000385267690 799424404 /nfs/dbraw/zinc/42/44/04/799424404.db2.gz XSTNEUIIZAHGAI-IIDMSEBBSA-N 1 0 288.435 3.332 20 10 CGCDRO Cc1cc(C[NH2+]C2CCN(C)CC2)c(C)n1-c1ccccc1 ZINC000386400533 799436109 /nfs/dbraw/zinc/43/61/09/799436109.db2.gz LOAHVFFPXNCXFJ-UHFFFAOYSA-N 1 0 297.446 3.278 20 10 CGCDRO CC1(C)CCC[C@@H]1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000388945846 799458714 /nfs/dbraw/zinc/45/87/14/799458714.db2.gz SSTQGHQCLNNDFJ-GFCCVEGCSA-N 1 0 277.364 3.037 20 10 CGCDRO CC[C@@H](C)[C@@H](C[NH2+]Cc1ccc2c(c1)CCCN2C)OC ZINC000394475608 799496882 /nfs/dbraw/zinc/49/68/82/799496882.db2.gz HSUPMXUSGYCIOY-RDTXWAMCSA-N 1 0 290.451 3.220 20 10 CGCDRO Cc1cc(C)c(C[NH2+]Cc2cccc(C)c2O)cn1 ZINC000397057979 799513353 /nfs/dbraw/zinc/51/33/53/799513353.db2.gz NWYKAVOHVZDSFE-UHFFFAOYSA-N 1 0 256.349 3.002 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CSC[C@H]2C)c(O)c1 ZINC000397873441 799521709 /nfs/dbraw/zinc/52/17/09/799521709.db2.gz GSPWAQSBMOQRRD-MDZLAQPJSA-N 1 0 251.395 3.103 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2[O-])CS1 ZINC000397892472 799523389 /nfs/dbraw/zinc/52/33/89/799523389.db2.gz PKMJVAIJDPPTMG-SCZZXKLOSA-N 1 0 257.786 3.029 20 10 CGCDRO CC[C@@H]1C[N@@H+](Cc2cc(C)ccc2O)C[C@H](CC)O1 ZINC000398779715 799533199 /nfs/dbraw/zinc/53/31/99/799533199.db2.gz LPRCRFDUKZVVCE-GASCZTMLSA-N 1 0 263.381 3.090 20 10 CGCDRO CC[C@@H]1C[NH+](Cc2cccc(C)c2O)C[C@@H](CC)O1 ZINC000398797960 799533386 /nfs/dbraw/zinc/53/33/86/799533386.db2.gz SHGCFODIJJJCRF-HUUCEWRRSA-N 1 0 263.381 3.090 20 10 CGCDRO C[C@H](Cc1ccccc1F)[NH2+]CCc1ccc(O)c(O)c1 ZINC001255829951 806760054 /nfs/dbraw/zinc/76/00/54/806760054.db2.gz BCBLOAQATYWKIV-GFCCVEGCSA-N 1 0 289.350 3.000 20 10 CGCDRO COc1cc(Cl)cc(C[N@@H+]2C[C@H](OC)CC[C@H]2C)c1O ZINC000687207172 799736823 /nfs/dbraw/zinc/73/68/23/799736823.db2.gz GEIOILOXJQAYFI-ZWNOBZJWSA-N 1 0 299.798 3.054 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2COC3(CCC3)C2)c(O)c1 ZINC000688285669 799746985 /nfs/dbraw/zinc/74/69/85/799746985.db2.gz ZJBSGQKZHSBDHP-STQMWFEESA-N 1 0 261.365 3.063 20 10 CGCDRO CC[N@H+](CCC(F)(F)F)Cc1cc(F)ccc1O ZINC000688501893 799748461 /nfs/dbraw/zinc/74/84/61/799748461.db2.gz TXWXFQCBYXUGAQ-UHFFFAOYSA-N 1 0 265.250 3.306 20 10 CGCDRO COc1ccc(C[NH2+]C[C@H]2CCC[C@H](C)O2)cc1C ZINC000688878136 799756638 /nfs/dbraw/zinc/75/66/38/799756638.db2.gz KZXKYSXCKSAZAN-DZGCQCFKSA-N 1 0 263.381 3.051 20 10 CGCDRO C[C@]1(C[NH2+][C@@H]2CCc3cccc(O)c32)CC1(F)F ZINC000689215689 799761614 /nfs/dbraw/zinc/76/16/14/799761614.db2.gz YDDSMXWNZATBPL-ZWNOBZJWSA-N 1 0 253.292 3.014 20 10 CGCDRO CCc1cccc(C[NH2+]CC2(CC)CCOCC2)c1O ZINC000691464039 799784356 /nfs/dbraw/zinc/78/43/56/799784356.db2.gz HTRDZQXWRYMVIT-UHFFFAOYSA-N 1 0 277.408 3.251 20 10 CGCDRO CC(C)C[N@H+](C)Cc1ccc(Br)cc1O ZINC000691733273 799786203 /nfs/dbraw/zinc/78/62/03/799786203.db2.gz JECJCSFYMGWYEF-UHFFFAOYSA-N 1 0 272.186 3.243 20 10 CGCDRO CCSC1(C[NH2+][C@H](C)c2ccccc2O)CC1 ZINC000691826629 799788484 /nfs/dbraw/zinc/78/84/84/799788484.db2.gz DFCOEKCSZRHRKJ-LLVKDONJSA-N 1 0 251.395 3.329 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C(C)(C2CC2)C2CC2)cc1 ZINC000691874079 799789736 /nfs/dbraw/zinc/78/97/36/799789736.db2.gz WCCUCWFAHSKICO-UHFFFAOYSA-N 1 0 258.409 3.421 20 10 CGCDRO C[C@H](C[NH2+][C@@H](C)c1ccccc1O)c1ccccn1 ZINC000692761216 799799057 /nfs/dbraw/zinc/79/90/57/799799057.db2.gz LSWIGXFNJPXNFK-OLZOCXBDSA-N 1 0 256.349 3.242 20 10 CGCDRO C[C@@H]([NH2+]CCC1SCCS1)c1ccccc1O ZINC000693776429 799813453 /nfs/dbraw/zinc/81/34/53/799813453.db2.gz JMJHBNUBHQTDBU-SNVBAGLBSA-N 1 0 269.435 3.239 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1)c1cc(F)ccc1O ZINC000693914656 799818305 /nfs/dbraw/zinc/81/83/05/799818305.db2.gz YCLYCDXZVUDMGZ-DGCLKSJQSA-N 1 0 280.387 3.055 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000694248165 799820542 /nfs/dbraw/zinc/82/05/42/799820542.db2.gz MJMBNWLLWUTIBM-JIMOISOXSA-N 1 0 251.757 3.324 20 10 CGCDRO COc1cccc(C[NH2+][C@@H]2CCCC3(CC3)C2)c1O ZINC000695748150 799834028 /nfs/dbraw/zinc/83/40/28/799834028.db2.gz GPQBYOXBQKYXDC-CYBMUJFWSA-N 1 0 261.365 3.213 20 10 CGCDRO C[C@@H](C[NH2+]Cc1cc(Cl)ccc1O)CC(F)F ZINC000697720260 799847998 /nfs/dbraw/zinc/84/79/98/799847998.db2.gz UIBNRNPLOXBLSO-MRVPVSSYSA-N 1 0 263.715 3.427 20 10 CGCDRO C[C@H](C[NH2+][C@@H](C)c1cc(F)ccc1O)CC(F)F ZINC000697750481 799848866 /nfs/dbraw/zinc/84/88/66/799848866.db2.gz CFKFBWGSIAFVSQ-IUCAKERBSA-N 1 0 261.287 3.473 20 10 CGCDRO C1=C[C@@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000698197351 799853352 /nfs/dbraw/zinc/85/33/52/799853352.db2.gz RJNFCVRORUCZCU-MRXNPFEDSA-N 1 0 256.393 3.485 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]C2(C)CC=CC2)c1O ZINC000702116890 799904305 /nfs/dbraw/zinc/90/43/05/799904305.db2.gz VGRWJYRAIMIRBV-UHFFFAOYSA-N 1 0 267.756 3.253 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CC[C@H](C)F)cc1 ZINC000702632279 799910775 /nfs/dbraw/zinc/91/07/75/799910775.db2.gz ZYXXOVWYLZRKOY-ZDUSSCGKSA-N 1 0 252.377 3.371 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CC[C@@H]2CCSC2)c1 ZINC000704790556 799940311 /nfs/dbraw/zinc/94/03/11/799940311.db2.gz OMVCUHRIBZRIQI-QWHCGFSZSA-N 1 0 265.422 3.494 20 10 CGCDRO C[C@H]([NH2+]CC[C@H]1CCSC1)c1cc(F)ccc1O ZINC000704791992 799940979 /nfs/dbraw/zinc/94/09/79/799940979.db2.gz ZFHJVXIMXNTKAX-QWRGUYRKSA-N 1 0 269.385 3.325 20 10 CGCDRO C[C@H]([NH2+]Cc1cnc(Cl)s1)c1ccccc1O ZINC000718201351 800213930 /nfs/dbraw/zinc/21/39/30/800213930.db2.gz SOSIYTVKZHIBKM-QMMMGPOBSA-N 1 0 268.769 3.353 20 10 CGCDRO CO[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2ccccc2O)CC1 ZINC000718353046 800216305 /nfs/dbraw/zinc/21/63/05/800216305.db2.gz OTQIUEWFIKFPDE-MGPQQGTHSA-N 1 0 263.381 3.391 20 10 CGCDRO COCC(C)(C)CC[NH2+][C@H](C)c1ccc(C)cc1O ZINC000718774086 800222901 /nfs/dbraw/zinc/22/29/01/800222901.db2.gz NURMPVSDRSCNCT-CYBMUJFWSA-N 1 0 265.397 3.414 20 10 CGCDRO Cc1nc(C[NH2+]Cc2cc(Cl)ccc2O)sc1C ZINC000719527756 800240833 /nfs/dbraw/zinc/24/08/33/800240833.db2.gz LNJAKPYJZWGUFQ-UHFFFAOYSA-N 1 0 282.796 3.409 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CC[C@@H](C3CC3)O2)c1 ZINC000722334380 800315916 /nfs/dbraw/zinc/31/59/16/800315916.db2.gz TXMYJIVGYCEIPE-JDFRZJQESA-N 1 0 275.392 3.309 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@H]1CCCOC1 ZINC000723990755 800349342 /nfs/dbraw/zinc/34/93/42/800349342.db2.gz TUUVKNVUMJGKOD-RDJZCZTQSA-N 1 0 276.424 3.047 20 10 CGCDRO COc1cccc(C[NH2+][C@H](C)Cc2ccc(C)cc2)c1O ZINC001117638037 802472562 /nfs/dbraw/zinc/47/25/62/802472562.db2.gz LCLZGVPZPGLCSD-CQSZACIVSA-N 1 0 285.387 3.430 20 10 CGCDRO CCC(O)(CC)C[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001118942712 802619677 /nfs/dbraw/zinc/61/96/77/802619677.db2.gz UIBNNIFYACACCT-UHFFFAOYSA-N 1 0 290.451 3.270 20 10 CGCDRO CN(Cc1cscn1)Cc1ccc(N2CCCC2)cc1 ZINC001137596280 803742566 /nfs/dbraw/zinc/74/25/66/803742566.db2.gz SRYZDMKTLCVVMJ-UHFFFAOYSA-N 1 0 287.432 3.375 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CCc3cccc(O)c3C2)c1 ZINC001138100933 803855677 /nfs/dbraw/zinc/85/56/77/803855677.db2.gz AHHJQSYJRBRXMC-UHFFFAOYSA-N 1 0 283.371 3.349 20 10 CGCDRO COC1CC[NH+](Cc2c(C)n(C)c3ccccc32)CC1 ZINC001138252689 803881942 /nfs/dbraw/zinc/88/19/42/803881942.db2.gz QDQHHARWYASLDU-UHFFFAOYSA-N 1 0 272.392 3.098 20 10 CGCDRO CCC[N@H+](CCOC)Cc1c(C)n(C)c2ccccc21 ZINC001138252657 803882506 /nfs/dbraw/zinc/88/25/06/803882506.db2.gz OXYJPIWROOICIA-UHFFFAOYSA-N 1 0 274.408 3.345 20 10 CGCDRO CC(C)O[C@H]1CC[N@H+](Cc2ccc3c(c2)CCCN3C)C1 ZINC001138356092 803901116 /nfs/dbraw/zinc/90/11/16/803901116.db2.gz HHTZSBOMXAMKQV-KRWDZBQOSA-N 1 0 288.435 3.068 20 10 CGCDRO CCC[N@H+](C)Cc1ccc(N(CC)CC)cc1OC ZINC001138387385 803912628 /nfs/dbraw/zinc/91/26/28/803912628.db2.gz DJPKEGRAYLUDHZ-UHFFFAOYSA-N 1 0 264.413 3.383 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)[C@@H](C)C1 ZINC001138498922 803953920 /nfs/dbraw/zinc/95/39/20/803953920.db2.gz MXMMBFKBLDODAJ-CVEARBPZSA-N 1 0 288.435 3.144 20 10 CGCDRO CC[N@@H+](Cc1ccccc1O)Cc1cccc2ccnn21 ZINC001138808274 804045830 /nfs/dbraw/zinc/04/58/30/804045830.db2.gz PAWSLPSOEHHGRF-UHFFFAOYSA-N 1 0 281.359 3.062 20 10 CGCDRO Cc1cccc2c1CC[C@H]([NH2+]Cc1ccc(N)cc1)C2 ZINC001246169679 804184892 /nfs/dbraw/zinc/18/48/92/804184892.db2.gz JCYWOJSRISENLJ-KRWDZBQOSA-N 1 0 266.388 3.224 20 10 CGCDRO Cc1cc(C[N@H+](C)Cc2ccncc2)ccc1N(C)C ZINC001139669633 804245627 /nfs/dbraw/zinc/24/56/27/804245627.db2.gz FEDMTYRUHAERCH-UHFFFAOYSA-N 1 0 269.392 3.088 20 10 CGCDRO Cc1cc(C[N@@H+]2CC[C@@H]3CCCO[C@@H]3C2)ccc1N(C)C ZINC001139671752 804248087 /nfs/dbraw/zinc/24/80/87/804248087.db2.gz ZHCSILIJDSYIDI-FUHWJXTLSA-N 1 0 288.435 3.062 20 10 CGCDRO Cc1cc(C[N@H+]2CC[C@H](OC(C)C)C2)ccc1N(C)C ZINC001139674392 804248437 /nfs/dbraw/zinc/24/84/37/804248437.db2.gz XXVCFJRALAXDGD-INIZCTEOSA-N 1 0 276.424 3.060 20 10 CGCDRO CCCC[C@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)cc2)CC[NH2+]1 ZINC001246309376 804271674 /nfs/dbraw/zinc/27/16/74/804271674.db2.gz KJWYHQXHLUGYPV-DLBZAZTESA-N 1 0 289.467 3.153 20 10 CGCDRO Cc1cccc2c1CC[C@H]([NH2+]CCc1ccc(N)cc1)C2 ZINC001246465157 804345353 /nfs/dbraw/zinc/34/53/53/804345353.db2.gz IRUUJSOILGTIGC-SFHVURJKSA-N 1 0 280.415 3.267 20 10 CGCDRO Oc1cccc(Cl)c1C[N@@H+]1CCC[C@H](F)CC1 ZINC001140337741 804417424 /nfs/dbraw/zinc/41/74/24/804417424.db2.gz BYKWGCPDBKUACN-JTQLQIEISA-N 1 0 257.736 3.370 20 10 CGCDRO CO[C@@H]1CCC[C@@H]2C[N@H+](Cc3c(O)cccc3Cl)C[C@@H]21 ZINC001140345550 804420820 /nfs/dbraw/zinc/42/08/20/804420820.db2.gz WFNCUXOSZNKASL-BFQNTYOBSA-N 1 0 295.810 3.293 20 10 CGCDRO Oc1cc(Cl)ccc1C[N@@H+]1CCC2(CCC2)C1 ZINC001140464724 804442268 /nfs/dbraw/zinc/44/22/68/804442268.db2.gz BBWZOCKEZRKTAN-UHFFFAOYSA-N 1 0 251.757 3.422 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)c1 ZINC001140623643 804476309 /nfs/dbraw/zinc/47/63/09/804476309.db2.gz NFOCTCOPZMENFU-UHFFFAOYSA-N 1 0 299.370 3.060 20 10 CGCDRO Cc1ccc(O)c(CN(C)Cc2cnc(Cl)s2)c1 ZINC001140617460 804477026 /nfs/dbraw/zinc/47/70/26/804477026.db2.gz PKEIMWWIUDALCX-UHFFFAOYSA-N 1 0 282.796 3.443 20 10 CGCDRO C[N@@H+](Cc1cc(Cl)ccc1N)Cc1ccccc1O ZINC001140717769 804496376 /nfs/dbraw/zinc/49/63/76/804496376.db2.gz NDPORIDIUVPSNW-UHFFFAOYSA-N 1 0 276.767 3.260 20 10 CGCDRO Cc1c(O)ccc(C[N@H+](C)Cc2ccccc2)c1O ZINC001140741770 804503259 /nfs/dbraw/zinc/50/32/59/804503259.db2.gz BWTWXLXRVJRLEZ-UHFFFAOYSA-N 1 0 257.333 3.038 20 10 CGCDRO Cc1cccc(C[N@@H+](C)Cc2ccc(O)c(C)c2O)c1 ZINC001140742040 804503297 /nfs/dbraw/zinc/50/32/97/804503297.db2.gz IBFQHHXFGNJISI-UHFFFAOYSA-N 1 0 271.360 3.347 20 10 CGCDRO COc1cccc(C[N@H+](C)Cc2ccc(O)c(C)c2O)c1 ZINC001140745989 804503720 /nfs/dbraw/zinc/50/37/20/804503720.db2.gz RPVVFCKADBTYNS-UHFFFAOYSA-N 1 0 287.359 3.047 20 10 CGCDRO Cc1c(O)ccc(C[N@H+](C)CCc2ccc(F)cc2)c1O ZINC001140749034 804504917 /nfs/dbraw/zinc/50/49/17/804504917.db2.gz PIXBUDAQXNSWSW-UHFFFAOYSA-N 1 0 289.350 3.220 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCn3cccc3C2)c(O)c1 ZINC001140855042 804533045 /nfs/dbraw/zinc/53/30/45/804533045.db2.gz LMQBSYSGFIYRMN-UHFFFAOYSA-N 1 0 299.418 3.056 20 10 CGCDRO C[C@H]1CCC[N@@H+]1Cc1ccc(N(C)C)cc1Cl ZINC001140921357 804549250 /nfs/dbraw/zinc/54/92/50/804549250.db2.gz BXUHMNXNDLQWGN-NSHDSACASA-N 1 0 252.789 3.390 20 10 CGCDRO CN(C)c1ccc(C[NH+]2CC3(C2)CCOCC3)c(Cl)c1 ZINC001140923884 804551217 /nfs/dbraw/zinc/55/12/17/804551217.db2.gz KRURMVYRDWYIQT-UHFFFAOYSA-N 1 0 294.826 3.018 20 10 CGCDRO CC[N@H+](Cc1ccccc1O)[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246860489 804565846 /nfs/dbraw/zinc/56/58/46/804565846.db2.gz IERTWQROUUAUMX-RDJZCZTQSA-N 1 0 290.451 3.381 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](C)[C@@H]2C)c(OC)c1 ZINC001141028205 804575605 /nfs/dbraw/zinc/57/56/05/804575605.db2.gz FUWZJNUALPNFFK-RYUDHWBXSA-N 1 0 279.380 3.030 20 10 CGCDRO CN1CCOc2cc(C[NH+]3C4CCCC3CCC4)ccc21 ZINC001141144570 804597166 /nfs/dbraw/zinc/59/71/66/804597166.db2.gz GYUZDTVVGPSDRS-UHFFFAOYSA-N 1 0 286.419 3.422 20 10 CGCDRO Oc1ccc(C2CC[NH+](Cc3cc(O)ccc3O)CC2)cc1 ZINC001141162624 804601366 /nfs/dbraw/zinc/60/13/66/804601366.db2.gz XUFIVVXLQLRKAD-UHFFFAOYSA-N 1 0 299.370 3.183 20 10 CGCDRO [O-]c1cc(F)c(F)cc1C[N@@H+]1CCCC2(CCC2)C1 ZINC001142530309 804733345 /nfs/dbraw/zinc/73/33/45/804733345.db2.gz CMHYAJCLSKOHSA-UHFFFAOYSA-N 1 0 267.319 3.437 20 10 CGCDRO COC1CC[NH+](Cc2cccc(C(C)(C)C)c2O)CC1 ZINC001143103813 804802183 /nfs/dbraw/zinc/80/21/83/804802183.db2.gz KRXJHORRWCXHAS-UHFFFAOYSA-N 1 0 277.408 3.301 20 10 CGCDRO CC(C)(C)c1cccc(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)c1O ZINC001143112504 804804414 /nfs/dbraw/zinc/80/44/14/804804414.db2.gz UGBYXYKALIUZQR-GJZGRUSLSA-N 1 0 289.419 3.158 20 10 CGCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@@H](c3ccccc3)C2)c(O)c1 ZINC001144509278 804997886 /nfs/dbraw/zinc/99/78/86/804997886.db2.gz RNPPRLBGJQAUQD-CQSZACIVSA-N 1 0 299.370 3.183 20 10 CGCDRO CCOc1ccc(N2CC[NH+](C(CC)CC)CC2)cc1 ZINC001257301528 807094682 /nfs/dbraw/zinc/09/46/82/807094682.db2.gz IJRNWRXLZRNPCR-UHFFFAOYSA-N 1 0 276.424 3.396 20 10 CGCDRO CCOC(=O)CCC[C@@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC001258107936 807310973 /nfs/dbraw/zinc/31/09/73/807310973.db2.gz YVRWYMCALVAFAE-OLZOCXBDSA-N 1 0 279.380 3.165 20 10 CGCDRO COc1ccc2c(c1)C[C@@H]([NH2+][C@@H](C)c1ccccc1O)C2 ZINC001168246115 807364824 /nfs/dbraw/zinc/36/48/24/807364824.db2.gz FMYAPKRCBAFFMZ-WFASDCNBSA-N 1 0 283.371 3.219 20 10 CGCDRO CC(C)(C)[C@@H]1OCCC[C@H]1C[NH2+]Cc1ccc(N)cc1 ZINC001262488316 807868389 /nfs/dbraw/zinc/86/83/89/807868389.db2.gz YFYURBKARSLKBU-GOEBONIOSA-N 1 0 276.424 3.200 20 10 CGCDRO Oc1ccccc1C[NH2+][C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171336776 808030613 /nfs/dbraw/zinc/03/06/13/808030613.db2.gz LRGKDYNRAFQDSB-AWEZNQCLSA-N 1 0 289.325 3.318 20 10 CGCDRO CC[C@H](C)OCC[C@H](C)[N@@H+]1CCc2cccc(O)c2C1 ZINC001172345056 808244539 /nfs/dbraw/zinc/24/45/39/808244539.db2.gz DNXZTSIRPUZEQW-KBPBESRZSA-N 1 0 277.408 3.344 20 10 CGCDRO CCOCC[C@@H](C)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001172408393 808296534 /nfs/dbraw/zinc/29/65/34/808296534.db2.gz INQGTFNAUYFGNU-OAHLLOKOSA-N 1 0 276.424 3.192 20 10 CGCDRO CC(C)COCC[C@@H](C)[NH2+][C@H](C)c1ccccc1O ZINC001172460700 808330446 /nfs/dbraw/zinc/33/04/46/808330446.db2.gz UGOKYQHCMPSELV-ZIAGYGMSSA-N 1 0 265.397 3.494 20 10 CGCDRO CC[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC001173260843 808565856 /nfs/dbraw/zinc/56/58/56/808565856.db2.gz OGWDHFFDQJAOCP-NVXWUHKLSA-N 1 0 288.435 3.192 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2CCCC3(CN(C)C3)C2)c(O)c1 ZINC001276815780 809034346 /nfs/dbraw/zinc/03/43/46/809034346.db2.gz ZTZUALAQODWELZ-UHFFFAOYSA-N 1 0 288.435 3.043 20 10 CGCDRO CCOc1ccc(N2CCC3(CCC[N@H+](C)C3)CC2)cc1 ZINC001276926126 809046061 /nfs/dbraw/zinc/04/60/61/809046061.db2.gz OAWBWZNVWHKDQD-UHFFFAOYSA-N 1 0 288.435 3.398 20 10 CGCDRO Cc1cc(Nc2cc3ccccc3cc2O)cc[nH+]1 ZINC001174657050 809120287 /nfs/dbraw/zinc/12/02/87/809120287.db2.gz MKQQJARKLULFCR-UHFFFAOYSA-N 1 0 250.301 3.414 20 10 CGCDRO CC(C)OCCC[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001177071992 809778300 /nfs/dbraw/zinc/77/83/00/809778300.db2.gz VSIBZUOKLCASFD-UHFFFAOYSA-N 1 0 275.751 3.089 20 10 CGCDRO OC[C@H](CC1CCCC1)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001178571379 809877289 /nfs/dbraw/zinc/87/72/89/809877289.db2.gz PZJLEBSDFLZQMR-KRWDZBQOSA-N 1 0 289.419 3.042 20 10 CGCDRO CCCOc1ccc(C[NH2+]C[C@@H]2CCCO2)cc1C ZINC001179142786 809906121 /nfs/dbraw/zinc/90/61/21/809906121.db2.gz NJHORULXJAYOGG-HNNXBMFYSA-N 1 0 263.381 3.052 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H](CO)CCC(C)C)cc1 ZINC001179153177 809907448 /nfs/dbraw/zinc/90/74/48/809907448.db2.gz IMASHZKDXLODLA-KRWDZBQOSA-N 1 0 292.467 3.420 20 10 CGCDRO C[C@H]1C[N@H+](C/C=C\c2ccc(N(C)C)cc2)CC(C)(C)O1 ZINC001180039095 809968862 /nfs/dbraw/zinc/96/88/62/809968862.db2.gz LHKHVBGYPRNPRB-XHPSBEMXSA-N 1 0 288.435 3.265 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CC[C@@H](c3ccco3)C2)c(O)c1 ZINC001180267104 809986665 /nfs/dbraw/zinc/98/66/65/809986665.db2.gz OGMMWDWLCGCOHS-CYBMUJFWSA-N 1 0 287.359 3.292 20 10 CGCDRO Cc1cc(O)c(C[N@H+](C)C[C@H]2CCCC[C@H]2O)c(Cl)c1 ZINC001180332816 809994454 /nfs/dbraw/zinc/99/44/54/809994454.db2.gz UPZDKKZEXCVMGM-IUODEOHRSA-N 1 0 297.826 3.337 20 10 CGCDRO CO[C@H](CC[NH2+]Cc1ccc(Cl)cc1O)C(F)(F)F ZINC001180916636 810027122 /nfs/dbraw/zinc/02/71/22/810027122.db2.gz HFHYOLOSUAKIBV-LLVKDONJSA-N 1 0 297.704 3.103 20 10 CGCDRO COc1cc(C)cc(C[NH2+]C[C@@H]2CCC[C@@H]2C)c1O ZINC001181174834 810041939 /nfs/dbraw/zinc/04/19/39/810041939.db2.gz GIUHXCFQRHWDSM-STQMWFEESA-N 1 0 263.381 3.235 20 10 CGCDRO COc1cc(C)cc(C[NH2+]C[C@H]2CCC[C@@H]2C)c1O ZINC001181174833 810042033 /nfs/dbraw/zinc/04/20/33/810042033.db2.gz GIUHXCFQRHWDSM-QWHCGFSZSA-N 1 0 263.381 3.235 20 10 CGCDRO CO[C@H]1C[C@H](C[NH2+]Cc2cc(C(C)C)ccc2O)C1 ZINC001183511639 810151299 /nfs/dbraw/zinc/15/12/99/810151299.db2.gz RFZYPRRCTRCGNZ-NNUKFRKNSA-N 1 0 263.381 3.030 20 10 CGCDRO Oc1cc(Cl)ccc1Nc1cc[nH+]c2c1CCC2 ZINC001214401631 815404072 /nfs/dbraw/zinc/40/40/72/815404072.db2.gz BITBWLMXHWHYAE-UHFFFAOYSA-N 1 0 260.724 3.095 20 10 CGCDRO COc1ccccc1CC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001198919220 811551784 /nfs/dbraw/zinc/55/17/84/811551784.db2.gz UAVZTQXMHJDZCV-UHFFFAOYSA-N 1 0 297.398 3.353 20 10 CGCDRO Oc1cccc2c1C[N@H+](CCCC(F)(F)F)CC2 ZINC001202433470 812092662 /nfs/dbraw/zinc/09/26/62/812092662.db2.gz OSNUYUZCNJHZFX-UHFFFAOYSA-N 1 0 259.271 3.093 20 10 CGCDRO Oc1cccc2c1C[N@H+](Cc1ccccc1F)CC2 ZINC001203357087 812322023 /nfs/dbraw/zinc/32/20/23/812322023.db2.gz FLBNIGRXMQNASS-UHFFFAOYSA-N 1 0 257.308 3.090 20 10 CGCDRO Cc1ccccc1O[C@@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC001203555874 812390659 /nfs/dbraw/zinc/39/06/59/812390659.db2.gz ICSFFMIWGBVMMY-MRXNPFEDSA-N 1 0 283.371 3.354 20 10 CGCDRO CCCC[N@H+](CCC)Cc1cccc(OC)c1O ZINC001203593770 812403834 /nfs/dbraw/zinc/40/38/34/812403834.db2.gz QFVHKEKBCDWNRU-UHFFFAOYSA-N 1 0 251.370 3.413 20 10 CGCDRO CCOc1cccc(C[N@H+](C)C2CC(F)(F)C2)c1O ZINC001203602150 812405072 /nfs/dbraw/zinc/40/50/72/812405072.db2.gz DTOPIOJOMRZDSP-UHFFFAOYSA-N 1 0 271.307 3.020 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](C)[C@@H](C)C2)c1 ZINC001203669881 812426019 /nfs/dbraw/zinc/42/60/19/812426019.db2.gz GRNPGUFBWCTYSM-OLZOCXBDSA-N 1 0 263.381 3.269 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H]3CCC[C@H]3C2)c1 ZINC001203671150 812426233 /nfs/dbraw/zinc/42/62/33/812426233.db2.gz KTHNORJNZMUNGG-STQMWFEESA-N 1 0 261.365 3.023 20 10 CGCDRO COc1ccc([C@H]2CC[N@H+](Cc3ccc(O)c(O)c3)C2)cc1 ZINC001203880544 812477852 /nfs/dbraw/zinc/47/78/52/812477852.db2.gz VJPHBZVCVSVBGI-HNNXBMFYSA-N 1 0 299.370 3.096 20 10 CGCDRO Oc1ccc(C2CC[NH+](Cc3ccc(O)c(O)c3)CC2)cc1 ZINC001203879991 812478314 /nfs/dbraw/zinc/47/83/14/812478314.db2.gz IEFVWCXHKRWKRZ-UHFFFAOYSA-N 1 0 299.370 3.183 20 10 CGCDRO Oc1ccc(C[NH+]2CCC(c3ccccc3)CC2)cc1O ZINC001203877497 812478411 /nfs/dbraw/zinc/47/84/11/812478411.db2.gz HKJIYEBTHTVITL-UHFFFAOYSA-N 1 0 283.371 3.477 20 10 CGCDRO Oc1ccc(C[N@@H+]2CCC[C@H]3CCCC[C@H]32)cc1O ZINC001203882641 812479577 /nfs/dbraw/zinc/47/95/77/812479577.db2.gz OTNXNUSZQQPFPK-ZIAGYGMSSA-N 1 0 261.365 3.252 20 10 CGCDRO COc1cccc(CC[N@H+](C)Cc2ccc(N(C)C)cc2)c1 ZINC001203934347 812496603 /nfs/dbraw/zinc/49/66/03/812496603.db2.gz RFSIPPSNYGDNPF-UHFFFAOYSA-N 1 0 298.430 3.436 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](O)CC2)c2ccccc21 ZINC001204232767 812579951 /nfs/dbraw/zinc/57/99/51/812579951.db2.gz IXWKQUAGLVERQO-MRXNPFEDSA-N 1 0 298.430 3.253 20 10 CGCDRO Oc1ccc(C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)c(O)c1 ZINC001204275677 812595190 /nfs/dbraw/zinc/59/51/90/812595190.db2.gz YETXGLMNAGMTQF-HNNXBMFYSA-N 1 0 283.371 3.162 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CCC[C@H](C)CC2)c(O)c1 ZINC001204496455 812655819 /nfs/dbraw/zinc/65/58/19/812655819.db2.gz HXCLPHDJAYCWSA-LBPRGKRZSA-N 1 0 263.381 3.331 20 10 CGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)c1 ZINC001204594034 812684492 /nfs/dbraw/zinc/68/44/92/812684492.db2.gz WIAOQDQIRDTBBJ-CVEARBPZSA-N 1 0 289.419 3.374 20 10 CGCDRO CN(C)c1ccc(CN2CCCC[C@H]2C[NH3+])c2ccccc21 ZINC001204925300 812777971 /nfs/dbraw/zinc/77/79/71/812777971.db2.gz PRVOPXTUNFXGLL-INIZCTEOSA-N 1 0 297.446 3.219 20 10 CGCDRO COc1cccc(C[NH2+]Cc2cc3ccccc3n2C)c1O ZINC001205677343 813049915 /nfs/dbraw/zinc/04/99/15/813049915.db2.gz AAEFTCJMZMZGFL-UHFFFAOYSA-N 1 0 296.370 3.182 20 10 CGCDRO CC[N@H+](Cc1ccccc1O)Cc1ncccc1C ZINC001205807936 813087621 /nfs/dbraw/zinc/08/76/21/813087621.db2.gz YBQHOLMIGBYFLG-UHFFFAOYSA-N 1 0 256.349 3.118 20 10 CGCDRO COC[C@H](CC(C)(C)C)[NH2+]Cc1ccc(C)cc1O ZINC001206463813 813326559 /nfs/dbraw/zinc/32/65/59/813326559.db2.gz NDHKNCMOCYMXRD-AWEZNQCLSA-N 1 0 265.397 3.241 20 10 CGCDRO C[C@H]([NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C)C1CCC1 ZINC001207748638 813644554 /nfs/dbraw/zinc/64/45/54/813644554.db2.gz MKTXWDBKCRUFAA-KSSFIOAISA-N 1 0 289.467 3.134 20 10 CGCDRO C[C@@H]1CC(C[N@H+](C)Cc2ccc(N(C)C)cc2)C[C@@H](C)O1 ZINC001209399851 814014378 /nfs/dbraw/zinc/01/43/78/814014378.db2.gz VBLDWUVODFUFCI-HUUCEWRRSA-N 1 0 290.451 3.388 20 10 CGCDRO C[C@@H]1C[C@@H]1C[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001209421449 814022129 /nfs/dbraw/zinc/02/21/29/814022129.db2.gz PUAVGDOGMFBYAY-GDBMZVCRSA-N 1 0 258.409 3.375 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(C[NH+]2CC3(CC(O)C3)C2)cc1 ZINC001209517428 814070646 /nfs/dbraw/zinc/07/06/46/814070646.db2.gz FCXCMYXSSDQYON-UHFFFAOYSA-N 1 0 296.414 3.051 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CCC[C@](C)(O)C2)cc1 ZINC001209516586 814070849 /nfs/dbraw/zinc/07/08/49/814070849.db2.gz BGCDICGAOXMDEB-IBGZPJMESA-N 1 0 298.430 3.441 20 10 CGCDRO c1cc(Nc2ccc3c(c2)OCCN3)cc(N2CCCC2)[nH+]1 ZINC001209713481 814118157 /nfs/dbraw/zinc/11/81/57/814118157.db2.gz AFEZIINHCOAKAI-UHFFFAOYSA-N 1 0 296.374 3.230 20 10 CGCDRO Cn1c[nH+]cc1N(Cc1ccccc1)c1ccc(N)cc1 ZINC001211249962 814860651 /nfs/dbraw/zinc/86/06/51/814860651.db2.gz BKHNPTGIXLWCQW-UHFFFAOYSA-N 1 0 278.359 3.341 20 10 CGCDRO CN(c1c[nH+]cn1Cc1ccccc1)c1ccc(N)cc1 ZINC001216554316 815857722 /nfs/dbraw/zinc/85/77/22/815857722.db2.gz HYVSGVRTOWCEQP-UHFFFAOYSA-N 1 0 278.359 3.282 20 10 CGCDRO CC(C)(C)c1ccc(O)c(CN2CC[C@@]23CCC[NH2+]C3)c1 ZINC001222198008 816373376 /nfs/dbraw/zinc/37/33/76/816373376.db2.gz SBNPOMQVSIVPOQ-GOSISDBHSA-N 1 0 288.435 3.018 20 10 CGCDRO CO[C@H](C)C1C[NH+](Cc2c(O)ccc3ccccc32)C1 ZINC001231589632 818129267 /nfs/dbraw/zinc/12/92/67/818129267.db2.gz NQUDLADZTMYEGS-GFCCVEGCSA-N 1 0 271.360 3.012 20 10 CGCDRO Cc1ncc(C[N@@H+](C)Cc2c(O)ccc3ccccc32)cn1 ZINC001231590470 818132198 /nfs/dbraw/zinc/13/21/98/818132198.db2.gz CMZFMNPTUNXCKV-UHFFFAOYSA-N 1 0 293.370 3.276 20 10 CGCDRO CCC[C@@H]1CCCC[N@@H+]1Cc1cc(OC)c(O)cc1O ZINC001231635045 818144022 /nfs/dbraw/zinc/14/40/22/818144022.db2.gz DGVSPPZMVIAMHB-CYBMUJFWSA-N 1 0 279.380 3.261 20 10 CGCDRO COC1(C)CC[NH+](Cc2c(C)cc(C)cc2O)CC1 ZINC001231841888 818186202 /nfs/dbraw/zinc/18/62/02/818186202.db2.gz FSYRNHSVZYPRCJ-UHFFFAOYSA-N 1 0 263.381 3.010 20 10 CGCDRO CCCCC[N@H+](C)Cc1ccc(N(C)C)cc1OC ZINC001231848684 818187595 /nfs/dbraw/zinc/18/75/95/818187595.db2.gz JWYFTULBHXDRQL-UHFFFAOYSA-N 1 0 264.413 3.383 20 10 CGCDRO Cc1cc(C)c(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)c(O)c1 ZINC001231847948 818187812 /nfs/dbraw/zinc/18/78/12/818187812.db2.gz GDJNSFITNNFMLB-MRXNPFEDSA-N 1 0 298.386 3.057 20 10 CGCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC001231849220 818188696 /nfs/dbraw/zinc/18/86/96/818188696.db2.gz OWBFSORFTPVWGI-GFCCVEGCSA-N 1 0 298.377 3.238 20 10 CGCDRO COc1cc(N(C)C)ccc1C[N@H+](C)Cc1ccsc1 ZINC001231852834 818189357 /nfs/dbraw/zinc/18/93/57/818189357.db2.gz ASWQYHFEUVNDDS-UHFFFAOYSA-N 1 0 290.432 3.455 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@]23CCOC3)cc1Cl ZINC001231869917 818193017 /nfs/dbraw/zinc/19/30/17/818193017.db2.gz AGLIOXWNIYXOIT-OAHLLOKOSA-N 1 0 281.783 3.109 20 10 CGCDRO Cc1cc(O)c(CN2CCC[N@@H+]3CCC[C@H]3C2)cc1Cl ZINC001231870039 818194820 /nfs/dbraw/zinc/19/48/20/818194820.db2.gz GYECKXRIAOTTFL-AWEZNQCLSA-N 1 0 294.826 3.024 20 10 CGCDRO C[N@@H+](Cc1ccc(N2CCOCC2)c(Cl)c1)CC1CC1 ZINC001232198595 818274673 /nfs/dbraw/zinc/27/46/73/818274673.db2.gz XIRJCWXMMCHXCU-UHFFFAOYSA-N 1 0 294.826 3.018 20 10 CGCDRO CC[N@H+](Cc1ccc(N2CCOCC2)c(Cl)c1)C(C)C ZINC001232198220 818275256 /nfs/dbraw/zinc/27/52/56/818275256.db2.gz MESASIOVQNFYLG-UHFFFAOYSA-N 1 0 296.842 3.407 20 10 CGCDRO CC1(C)CCC[N@@H+]1Cc1cc(Cl)c(O)cc1O ZINC001232260433 818295255 /nfs/dbraw/zinc/29/52/55/818295255.db2.gz QDTXNWNXQZCTCQ-UHFFFAOYSA-N 1 0 255.745 3.126 20 10 CGCDRO CCC1CC[NH+](Cc2cc(Cl)c(O)cc2O)CC1 ZINC001232258939 818296368 /nfs/dbraw/zinc/29/63/68/818296368.db2.gz DZVDGLNPUQLXFQ-UHFFFAOYSA-N 1 0 269.772 3.373 20 10 CGCDRO CC[N@H+](Cc1cc(Cl)c(OC)cc1O)C1CCOCC1 ZINC001232264190 818297024 /nfs/dbraw/zinc/29/70/24/818297024.db2.gz GABGMDFMNLEZSL-UHFFFAOYSA-N 1 0 299.798 3.055 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2O)CCC1(F)F ZINC001232834804 818451318 /nfs/dbraw/zinc/45/13/18/818451318.db2.gz NFBOBKSPBFHZIZ-GFCCVEGCSA-N 1 0 298.377 3.325 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H]3CCC[C@@H]3C2)c(O)c1 ZINC001232835665 818452333 /nfs/dbraw/zinc/45/23/33/818452333.db2.gz FJKRPUIIWHNRKI-ZIAGYGMSSA-N 1 0 274.408 3.080 20 10 CGCDRO CCCC[N@H+](CCC)Cc1ccc(N(C)C)cc1O ZINC001232839468 818453709 /nfs/dbraw/zinc/45/37/09/818453709.db2.gz OPDQYDJCYFTXHP-UHFFFAOYSA-N 1 0 264.413 3.470 20 10 CGCDRO CC[N@H+](Cc1ccccc1O)Cc1cccc(O)c1F ZINC001233057425 818515552 /nfs/dbraw/zinc/51/55/52/818515552.db2.gz MIDCBDLUQINSHU-UHFFFAOYSA-N 1 0 275.323 3.259 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2cc(C(C)(C)C)ccc2O)CC[C@]1(C)O ZINC001233284033 818566140 /nfs/dbraw/zinc/56/61/40/818566140.db2.gz FJQKCVMACWGMII-ACJLOTCBSA-N 1 0 291.435 3.283 20 10 CGCDRO Cc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(O)c(O)cc2O)cc1 ZINC001233485032 818624734 /nfs/dbraw/zinc/62/47/34/818624734.db2.gz GSZDIHCRUXSVMU-HNNXBMFYSA-N 1 0 299.370 3.449 20 10 CGCDRO C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccc(OC(F)(F)F)c1O ZINC001233726256 818691690 /nfs/dbraw/zinc/69/16/90/818691690.db2.gz BIWWJYCRWBYQPF-SCZZXKLOSA-N 1 0 293.260 3.223 20 10 CGCDRO C[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C)cc2O)C[C@H](C)O1 ZINC001235674365 819134962 /nfs/dbraw/zinc/13/49/62/819134962.db2.gz FLDPQEPZCMADAI-BETUJISGSA-N 1 0 277.408 3.299 20 10 CGCDRO COC[C@@H]1CCC[N@@H+]1Cc1ccc(C(C)(C)C)cc1O ZINC001235673855 819135372 /nfs/dbraw/zinc/13/53/72/819135372.db2.gz AOBUOQYAABHFOX-HNNXBMFYSA-N 1 0 277.408 3.301 20 10 CGCDRO Cc1ccccc1O[C@H]1CC[N@H+](Cc2ccc(N)cc2)C1 ZINC001235675642 819137131 /nfs/dbraw/zinc/13/71/31/819137131.db2.gz QLDVAEKACPODSU-KRWDZBQOSA-N 1 0 282.387 3.231 20 10 CGCDRO CSCC[N@H+](C)Cc1ccc(C(C)(C)C)cc1O ZINC001235678064 819138333 /nfs/dbraw/zinc/13/83/33/819138333.db2.gz ACGZRNMHJKDVGJ-UHFFFAOYSA-N 1 0 267.438 3.485 20 10 CGCDRO CC(C)(C)c1ccc(C[N@@H+]2CCCC23COC3)c(O)c1 ZINC001235686066 819142721 /nfs/dbraw/zinc/14/27/21/819142721.db2.gz XBSSCPFUKDUCJT-UHFFFAOYSA-N 1 0 275.392 3.055 20 10 CGCDRO CCN(Cc1cc(C)n(-c2ccccc2)c1C)[C@H]1CC[NH2+]C1 ZINC001235971215 819255546 /nfs/dbraw/zinc/25/55/46/819255546.db2.gz SFELSEGJUORATO-IBGZPJMESA-N 1 0 297.446 3.278 20 10 CGCDRO CCN(CC[NH3+])Cc1cc(Cl)c(C(C)(C)C)cc1O ZINC001236143543 819343702 /nfs/dbraw/zinc/34/37/02/819343702.db2.gz KHHISLAWKHBAHW-UHFFFAOYSA-N 1 0 284.831 3.124 20 10 CGCDRO Cc1cccc(C)c1N1CC[NH+](Cc2ccc(N)cc2)CC1 ZINC001236432813 819477194 /nfs/dbraw/zinc/47/71/94/819477194.db2.gz FPEBOSVXMCXVDQ-UHFFFAOYSA-N 1 0 295.430 3.208 20 10 CGCDRO Cc1ccc(CN([C@@H]2CC[NH2+]C2)C2CCCCC2)c(O)c1 ZINC001236650434 819561320 /nfs/dbraw/zinc/56/13/20/819561320.db2.gz CEODQEFTXHEBPO-QGZVFWFLSA-N 1 0 288.435 3.197 20 10 CGCDRO CC[N@H+](Cc1ccc(F)c(O)c1)Cc1ccccc1O ZINC001236711284 819578457 /nfs/dbraw/zinc/57/84/57/819578457.db2.gz RSVFKPUDSVNRTJ-UHFFFAOYSA-N 1 0 275.323 3.259 20 10 CGCDRO COc1cc(O)c(C[NH+]2CC3(CCC3)C2)c(Cl)c1 ZINC001236797568 819598895 /nfs/dbraw/zinc/59/88/95/819598895.db2.gz GXUCKHUNRFLAHT-UHFFFAOYSA-N 1 0 267.756 3.040 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CCCOC(C)(C)C2)c(Cl)c1 ZINC001236801994 819599402 /nfs/dbraw/zinc/59/94/02/819599402.db2.gz GDKMHWQWDBYJPC-UHFFFAOYSA-N 1 0 299.798 3.055 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](C)C2)c(Cl)c1 ZINC001236804865 819602558 /nfs/dbraw/zinc/60/25/58/819602558.db2.gz UXFRKQIBJSZQGJ-JTQLQIEISA-N 1 0 269.772 3.286 20 10 CGCDRO COc1cc(C)c(C[N@H+](C)C[C@H]2CC2(C)C)c(O)c1 ZINC001236812100 819605107 /nfs/dbraw/zinc/60/51/07/819605107.db2.gz ZKXFCDXXLNZULW-GFCCVEGCSA-N 1 0 263.381 3.187 20 10 CGCDRO COc1cc(C)c(C[NH+](C(C)C)C(C)C)c(O)c1 ZINC001236818619 819605451 /nfs/dbraw/zinc/60/54/51/819605451.db2.gz PQZZSMBWZSCAGF-UHFFFAOYSA-N 1 0 251.370 3.328 20 10 CGCDRO O=C1CCC[C@H]2C[N@@H+](Cc3cc4ccccc4cc3O)C[C@@H]12 ZINC001236835765 819614734 /nfs/dbraw/zinc/61/47/34/819614734.db2.gz RVFHIMUZXCIYLC-DOTOQJQBSA-N 1 0 295.382 3.346 20 10 CGCDRO CN(C)[C@@H]1CCC[N@H+](Cc2cc3ccccc3cc2O)C1 ZINC001236842032 819618142 /nfs/dbraw/zinc/61/81/42/819618142.db2.gz SAHWADQKJFANAZ-QGZVFWFLSA-N 1 0 284.403 3.071 20 10 CGCDRO CC(C)c1ccc(C[NH+]2CC3(C2)CCCOC3)c(O)c1 ZINC001237044867 819649954 /nfs/dbraw/zinc/64/99/54/819649954.db2.gz FEMFDZMBRFQQJP-UHFFFAOYSA-N 1 0 275.392 3.128 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2CCC[C@@](C)(O)[C@H](C)C2)c(O)c1 ZINC001237047081 819651277 /nfs/dbraw/zinc/65/12/77/819651277.db2.gz ZTDCJHMIIFAWST-RDTXWAMCSA-N 1 0 291.435 3.499 20 10 CGCDRO CC(C)c1ccc(C[N@H+](C)[C@@H]2CCCOC2)c(O)c1 ZINC001237052441 819653082 /nfs/dbraw/zinc/65/30/82/819653082.db2.gz ZEOVGNISWCSVEF-OAHLLOKOSA-N 1 0 263.381 3.126 20 10 CGCDRO Oc1cccc(OC(F)(F)F)c1C[NH+]1CC2CC(C2)C1 ZINC001237113841 819670241 /nfs/dbraw/zinc/67/02/41/819670241.db2.gz FEJICUIQDBKJBA-UHFFFAOYSA-N 1 0 287.281 3.133 20 10 CGCDRO C[N@H+](Cc1cc(C(F)(F)F)ccc1O)[C@@H]1CCCOC1 ZINC001237144528 819678590 /nfs/dbraw/zinc/67/85/90/819678590.db2.gz RHDYFPKYQHLMKM-GFCCVEGCSA-N 1 0 289.297 3.022 20 10 CGCDRO Cc1cc(O)c(CN2CC[NH2+]C3=CCCC[C@H]32)cc1Cl ZINC001237224044 819702624 /nfs/dbraw/zinc/70/26/24/819702624.db2.gz BGFKXMXPCGCXFA-OAHLLOKOSA-N 1 0 292.810 3.196 20 10 CGCDRO CCOC[C@@]12CCC[C@@H]1C[N@H+](Cc1c(C)cccc1O)C2 ZINC001237485687 819762850 /nfs/dbraw/zinc/76/28/50/819762850.db2.gz KKNORYNDJPLFEZ-QAPCUYQASA-N 1 0 289.419 3.339 20 10 CGCDRO CCOC(=O)C[N@H+](Cc1c(C)cccc1O)C1CCCC1 ZINC001237494850 819764624 /nfs/dbraw/zinc/76/46/24/819764624.db2.gz MDKVWUCJFGLGLY-UHFFFAOYSA-N 1 0 291.391 3.008 20 10 CGCDRO C[N@H+](Cc1ccnc(OC(F)F)c1)Cc1ccccc1O ZINC001237623096 819789107 /nfs/dbraw/zinc/78/91/07/819789107.db2.gz XXVWYBKUTLXPGL-UHFFFAOYSA-N 1 0 294.301 3.021 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H]3C[C@@H]32)cc1Br ZINC001237687116 819805347 /nfs/dbraw/zinc/80/53/47/819805347.db2.gz ZRNIOWGBPLOCQF-MFKMUULPSA-N 1 0 296.208 3.447 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+]2CC(C)(C)C[C@]2(C)CO)c1O ZINC001237681750 819806185 /nfs/dbraw/zinc/80/61/85/819806185.db2.gz QGEDHZFGTLTWMF-MRXNPFEDSA-N 1 0 297.826 3.337 20 10 CGCDRO [O-]c1cc(Cl)c(F)cc1C[N@@H+]1CC[C@@]2(C1)CCCCO2 ZINC001237933551 819883792 /nfs/dbraw/zinc/88/37/92/819883792.db2.gz CHMHQLKZWUHRED-OAHLLOKOSA-N 1 0 299.773 3.330 20 10 CGCDRO Cc1cc(F)cc(C[NH+]2C[C@H]3CCCC[C@@H]3C2)c1O ZINC001238058310 819920067 /nfs/dbraw/zinc/92/00/67/819920067.db2.gz QDPLQXYRHUDETD-CHWSQXEVSA-N 1 0 263.356 3.462 20 10 CGCDRO Cc1ccc(C[N@@H+](C)Cc2cc(F)cc(C)c2O)cn1 ZINC001238064496 819920830 /nfs/dbraw/zinc/92/08/30/819920830.db2.gz CTXYQYGQQGYRBV-UHFFFAOYSA-N 1 0 274.339 3.175 20 10 CGCDRO CN(C)c1ccc(C2=CC[N@H+](C)CC2)cc1C(F)(F)F ZINC001241322332 821732403 /nfs/dbraw/zinc/73/24/03/821732403.db2.gz LVLWCPRVEYWSBP-UHFFFAOYSA-N 1 0 284.325 3.490 20 10 CGCDRO COc1ccc(C[N@H+](C)Cc2ccc(N)cc2)cc1C ZINC001345160414 936804551 /nfs/dbraw/zinc/80/45/51/936804551.db2.gz VMQTWPACWYHSQH-UHFFFAOYSA-N 1 0 270.376 3.218 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH+]2CCC3(CCO3)CC2)c1 ZINC001308719350 928538941 /nfs/dbraw/zinc/53/89/41/928538941.db2.gz LZGUUBOXQAZJGR-UHFFFAOYSA-N 1 0 275.392 3.271 20 10 CGCDRO c1csc(Sc2nc3ccccc3n3cncc23)n1 ZINC001458124976 937451902 /nfs/dbraw/zinc/45/19/02/937451902.db2.gz ZIDFNWWLDZQQIN-UHFFFAOYSA-N 1 0 284.369 3.490 20 10 CGCDRO CO[C@@](C)(C[NH2+]Cc1c(C)c2ccccc2n1C)C1CC1 ZINC000314098051 932028850 /nfs/dbraw/zinc/02/88/50/932028850.db2.gz GTSNAGXCAGDCOR-SFHVURJKSA-N 1 0 286.419 3.391 20 10 CGCDRO CCO[C@@H](CC[NH2+]Cc1ccc(N(C)C)c(F)c1)C(C)C ZINC001461269996 937573630 /nfs/dbraw/zinc/57/36/30/937573630.db2.gz UDLDXUHYSPTZOP-KRWDZBQOSA-N 1 0 296.430 3.433 20 10 CGCDRO c1cc(N2CCCCC2)ccc1C[NH2+][C@@H]1C[C@@H]2CC[C@H]1O2 ZINC001461835555 937600466 /nfs/dbraw/zinc/60/04/66/937600466.db2.gz MWMQDLLMQDAPIA-RCCFBDPRSA-N 1 0 286.419 3.086 20 10 CGCDRO C[C@@H]1C[C@H](C)C[N@H+]1Cc1cc(F)c(N(C)C)cc1F ZINC001461858497 937601778 /nfs/dbraw/zinc/60/17/78/937601778.db2.gz GXGWPPZKTHVHCR-WDEREUQCSA-N 1 0 268.351 3.261 20 10 CGCDRO COC[C@H](C)C[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001462205702 937624715 /nfs/dbraw/zinc/62/47/15/937624715.db2.gz INFPIHILGDXTNY-OAHLLOKOSA-N 1 0 276.424 3.001 20 10 CGCDRO CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(Cl)cc1O ZINC001462340764 937633642 /nfs/dbraw/zinc/63/36/42/937633642.db2.gz QLAONPLXKDDTQC-UKRRQHHQSA-N 1 0 283.799 3.483 20 10 CGCDRO COCC1(C[NH2+]Cc2cc(C(C)C)ccc2O)CC1 ZINC001462385870 937637450 /nfs/dbraw/zinc/63/74/50/937637450.db2.gz FEVMPPSEWOBYCB-UHFFFAOYSA-N 1 0 263.381 3.032 20 10 CGCDRO CC1(C)[C@@H](C[NH2+]Cc2ccc(Cl)cc2O)C1(F)F ZINC001462453827 937642195 /nfs/dbraw/zinc/64/21/95/937642195.db2.gz PYIRNKAOGULTOV-LLVKDONJSA-N 1 0 275.726 3.427 20 10 CGCDRO CCC(CC)C[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC001307897728 933017051 /nfs/dbraw/zinc/01/70/51/933017051.db2.gz UAXYXYUASWWTQM-UHFFFAOYSA-N 1 0 278.440 3.499 20 10 CGCDRO c1ccc(C[C@H]2C[C@@H]2[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC001308275066 933086125 /nfs/dbraw/zinc/08/61/25/933086125.db2.gz XPQIAIBSEZSYHG-ROUUACIJSA-N 1 0 279.383 3.342 20 10 CGCDRO CO[C@@H]1C[C@H]([NH2+]Cc2c(O)cc(C)cc2Cl)C12CCC2 ZINC001308431684 933110736 /nfs/dbraw/zinc/11/07/36/933110736.db2.gz SNWFINBLOIQELG-LSDHHAIUSA-N 1 0 295.810 3.401 20 10 CGCDRO CC[C@@H]1C[N@H+](C/C=C\c2ccc(N(C)C)cc2)C[C@H](C)O1 ZINC001308632435 933146217 /nfs/dbraw/zinc/14/62/17/933146217.db2.gz ZXMYIPPQXYPVFL-ZNUVNQELSA-N 1 0 288.435 3.265 20 10 CGCDRO C[NH+](C)CCCC(C)(C)[NH2+]Cc1ccc(Cl)cc1[O-] ZINC001308776722 933174982 /nfs/dbraw/zinc/17/49/82/933174982.db2.gz ZVZLFINOALFNNP-UHFFFAOYSA-N 1 0 284.831 3.256 20 10 CGCDRO CC[C@@](C)(C[NH2+][C@H](C)Cc1ccc(N(C)C)cc1C)OC ZINC001308824532 933184331 /nfs/dbraw/zinc/18/43/31/933184331.db2.gz GYZBEJIIIAPPBA-QAPCUYQASA-N 1 0 292.467 3.397 20 10 CGCDRO CCC[N@H+](Cc1c(C)cc(OC)cc1O)C(C)C ZINC001308838711 933187953 /nfs/dbraw/zinc/18/79/53/933187953.db2.gz UEZUFOHTWTUSHZ-UHFFFAOYSA-N 1 0 251.370 3.330 20 10 CGCDRO C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1cc(F)cc(F)c1[O-] ZINC001325341468 934905961 /nfs/dbraw/zinc/90/59/61/934905961.db2.gz WIFRWFVYOSHQKF-LLVKDONJSA-N 1 0 298.377 3.053 20 10 CGCDRO COCC1([NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3C)CC1 ZINC001325355830 934906931 /nfs/dbraw/zinc/90/69/31/934906931.db2.gz GDLRBFNAKOZTGX-VXGBXAGGSA-N 1 0 261.365 3.018 20 10 CGCDRO C[NH2+][C@@H](C)CC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC001326034896 934945260 /nfs/dbraw/zinc/94/52/60/934945260.db2.gz BEAWKYQKCBLNRN-UWVGGRQHSA-N 1 0 290.329 3.060 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCC[C@@H](F)C2)cc1F ZINC001326325502 934970391 /nfs/dbraw/zinc/97/03/91/934970391.db2.gz RBUBCZQEGKQVHH-OLZOCXBDSA-N 1 0 268.351 3.262 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCS[C@H]2C)cc1Cl ZINC001327892199 935095459 /nfs/dbraw/zinc/09/54/59/935095459.db2.gz OVYPVLQEIZXBDR-CABZTGNLSA-N 1 0 271.813 3.338 20 10 CGCDRO COc1cc(C[N@@H+]2CCC[C@H](CCF)C2)c(O)cc1C ZINC001328022530 935110075 /nfs/dbraw/zinc/11/00/75/935110075.db2.gz AFNJIISHNQBDOE-CYBMUJFWSA-N 1 0 281.371 3.281 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@H+](C)CCC(F)(F)F ZINC001328659432 935157359 /nfs/dbraw/zinc/15/73/59/935157359.db2.gz JMLFSCPAWRQQAW-UHFFFAOYSA-N 1 0 274.330 3.445 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]Cc1ccc[nH]c1=O ZINC001328718447 935162806 /nfs/dbraw/zinc/16/28/06/935162806.db2.gz KTRFSQZARFILNO-YPMHNXCESA-N 1 0 284.359 3.139 20 10 CGCDRO CO[C@H](C)[C@@H](C)[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2C ZINC001329958157 935257617 /nfs/dbraw/zinc/25/76/17/935257617.db2.gz WXYHMPMTUSCNNL-LOWDOPEQSA-N 1 0 263.381 3.262 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001334755335 936111714 /nfs/dbraw/zinc/11/17/14/936111714.db2.gz MMQRAIYLGBFNJB-VWBOLXSISA-N 1 0 285.387 3.014 20 10 CGCDRO Nc1ccc(C[NH2+]C[C@@H]2CCc3ccccc32)cc1 ZINC001334775458 936113591 /nfs/dbraw/zinc/11/35/91/936113591.db2.gz YIRHVWFZKXZQSD-HNNXBMFYSA-N 1 0 252.361 3.088 20 10 CGCDRO CCS[C@@H]1CCCC[N@H+](Cc2ccc(N)cc2)C1 ZINC001336118298 936176998 /nfs/dbraw/zinc/17/69/98/936176998.db2.gz XCVXHEBWIOLCKF-OAHLLOKOSA-N 1 0 264.438 3.376 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]Cc2c(C)n[nH]c2C)cc1 ZINC001473940245 937831422 /nfs/dbraw/zinc/83/14/22/937831422.db2.gz UNSRCNMNUHCPKC-UHFFFAOYSA-N 1 0 286.423 3.163 20 10 CGCDRO COc1cccc(CC[NH2+]Cc2ccc3c(c2)CCCO3)c1 ZINC001473934722 937831544 /nfs/dbraw/zinc/83/15/44/937831544.db2.gz CROLRMDDDVXIDZ-UHFFFAOYSA-N 1 0 297.398 3.353 20 10 CGCDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2C[C@H]3CCC[C@H]32)cc1F ZINC001474293643 937849066 /nfs/dbraw/zinc/84/90/66/937849066.db2.gz CQNSLGVTCDULMX-IXPVHAAZSA-N 1 0 280.362 3.309 20 10 CGCDRO COCC[N@H+](C/C=C/c1ccc(N(C)C)cc1)CC(C)C ZINC001474322634 937851177 /nfs/dbraw/zinc/85/11/77/937851177.db2.gz LQJGNSCLDGGMPY-VOTSOKGWSA-N 1 0 290.451 3.370 20 10 CGCDRO COc1ccc(C[NH2+]CC2CCCCCC2)c(O)c1OC ZINC001474526714 937864922 /nfs/dbraw/zinc/86/49/22/937864922.db2.gz OUWQEFMYYIHAIO-UHFFFAOYSA-N 1 0 293.407 3.469 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H](O)C2CCCCC2)c(Cl)c1 ZINC001560308063 938252104 /nfs/dbraw/zinc/25/21/04/938252104.db2.gz XZJJRGBFOQZDKF-MRXNPFEDSA-N 1 0 297.826 3.385 20 10 CGCDRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001560323127 938253091 /nfs/dbraw/zinc/25/30/91/938253091.db2.gz GYGPEHGVHZDWNB-YGRLFVJLSA-N 1 0 268.351 3.309 20 10 CGCDRO CC(C)[C@@H]1C[C@H]1C[NH2+]Cc1c(O)cccc1Cl ZINC001560474231 938259652 /nfs/dbraw/zinc/25/96/52/938259652.db2.gz IBRRHKKNZSELIG-QWRGUYRKSA-N 1 0 253.773 3.427 20 10 CGCDRO CO[C@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)C1CCCC1 ZINC001560544328 938262328 /nfs/dbraw/zinc/26/23/28/938262328.db2.gz UXALKDTWVYYNSZ-QGZVFWFLSA-N 1 0 294.414 3.187 20 10 CGCDRO c1cc2c(cc1C[NH2+][C@@H]1C[C@H]3CCC[C@@H]31)CCCO2 ZINC001560615369 938265685 /nfs/dbraw/zinc/26/56/85/938265685.db2.gz NSPADDPLQBIPRU-VNQPRFMTSA-N 1 0 257.377 3.290 20 10 CGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CCCO[C@H](C)C2)c1 ZINC001560683845 938269642 /nfs/dbraw/zinc/26/96/42/938269642.db2.gz ORPMABRZCNGSHN-CYBMUJFWSA-N 1 0 263.381 3.126 20 10 CGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001560685915 938270004 /nfs/dbraw/zinc/27/00/04/938270004.db2.gz JZZIFWCVWGBCME-DOTOQJQBSA-N 1 0 299.418 3.141 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+]CCC[C@@H]2CCOC2)c1 ZINC001560834561 938278505 /nfs/dbraw/zinc/27/85/05/938278505.db2.gz QGMMDXNTOPYVHK-CQSZACIVSA-N 1 0 277.408 3.422 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(Cl)cc1O)[C@@H](O)c1ccccc1 ZINC001560868727 938280525 /nfs/dbraw/zinc/28/05/25/938280525.db2.gz MKSUEVLUKQUMEV-MEDUHNTESA-N 1 0 291.778 3.257 20 10 CGCDRO Oc1cccc(Cl)c1CNc1ccc2c(c1)C[NH2+]C2 ZINC001580888325 962743265 /nfs/dbraw/zinc/74/32/65/962743265.db2.gz INUMFHYDQZNDAW-UHFFFAOYSA-N 1 0 274.751 3.261 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)[C@H]1CCCO1 ZINC000020208482 368806068 /nfs/dbraw/zinc/80/60/68/368806068.db2.gz GBQBDJPAYKUSGB-MAUKXSAKSA-N 1 0 288.435 3.334 20 10 CGCDRO CCCC[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000020583090 368808098 /nfs/dbraw/zinc/80/80/98/368808098.db2.gz OONPTEJMOIBUHW-CYBMUJFWSA-N 1 0 280.387 3.113 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCO[C@H](c3cccs3)C2)c1 ZINC000092594644 370097954 /nfs/dbraw/zinc/09/79/54/370097954.db2.gz FOQAJIZLBLLUCH-HNNXBMFYSA-N 1 0 289.400 3.336 20 10 CGCDRO Fc1ccc(F)c(C[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000111233226 370394810 /nfs/dbraw/zinc/39/48/10/370394810.db2.gz QXQQSDRCRNVERA-UHFFFAOYSA-N 1 0 275.298 3.190 20 10 CGCDRO Cc1cc(C)n(CCC[NH2+]Cc2c(O)cccc2Cl)n1 ZINC000113313779 370471809 /nfs/dbraw/zinc/47/18/09/370471809.db2.gz BETHFOPGPTTXCF-UHFFFAOYSA-N 1 0 293.798 3.039 20 10 CGCDRO CS[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2O)C1 ZINC000117395285 370590273 /nfs/dbraw/zinc/59/02/73/370590273.db2.gz GBKZHNPHNFKRKL-QWHCGFSZSA-N 1 0 251.395 3.156 20 10 CGCDRO Cc1ccncc1CCC[NH2+]Cc1ccc(N(C)C)cc1 ZINC000289038229 371749017 /nfs/dbraw/zinc/74/90/17/371749017.db2.gz AMRSHTALORNZNL-UHFFFAOYSA-N 1 0 283.419 3.178 20 10 CGCDRO C[C@H]([NH2+]Cc1cccc(O)c1)c1ccc(N(C)C)cc1 ZINC000154408145 371844216 /nfs/dbraw/zinc/84/42/16/371844216.db2.gz BAYLIAXKWSQSNJ-ZDUSSCGKSA-N 1 0 270.376 3.309 20 10 CGCDRO COc1cccc(C[N@H+](C)CCc2ccccc2)c1O ZINC000156043347 371958543 /nfs/dbraw/zinc/95/85/43/371958543.db2.gz SHTGZLZYGQDDDJ-UHFFFAOYSA-N 1 0 271.360 3.075 20 10 CGCDRO OCCC[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000293644037 372435002 /nfs/dbraw/zinc/43/50/02/372435002.db2.gz IHTZDUHDLHBBFA-KRWDZBQOSA-N 1 0 285.387 3.038 20 10 CGCDRO C[C@H]1C[C@@H](C[NH2+]Cc2cc(Cl)c(F)cc2[O-])CCO1 ZINC000293660814 372440337 /nfs/dbraw/zinc/44/03/37/372440337.db2.gz PPJJWUGDMAGTIV-UWVGGRQHSA-N 1 0 287.762 3.089 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]CC2=CCCOC2)c(O)c1 ZINC000294471746 372656508 /nfs/dbraw/zinc/65/65/08/372656508.db2.gz WRHRGPHRQBJJGE-ZDUSSCGKSA-N 1 0 261.365 3.006 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CCCC[C@H]2O)c(O)c1 ZINC000294793802 372672369 /nfs/dbraw/zinc/67/23/69/372672369.db2.gz OMUGKOMYLKSWBJ-SOUVJXGZSA-N 1 0 277.408 3.211 20 10 CGCDRO CCCC[N@@H+](Cc1ccccc1O)Cc1cccnc1N ZINC000294883496 372676265 /nfs/dbraw/zinc/67/62/65/372676265.db2.gz AIUWNEIPDLBVNM-UHFFFAOYSA-N 1 0 285.391 3.172 20 10 CGCDRO COc1cccc(C[NH2+][C@@H]2C[C@@H](C)Oc3ccccc32)c1O ZINC000295109075 372692531 /nfs/dbraw/zinc/69/25/31/372692531.db2.gz USWSGKATWGBQCP-IUODEOHRSA-N 1 0 299.370 3.403 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCC(C)(F)F)c1 ZINC000295996289 372987873 /nfs/dbraw/zinc/98/78/73/372987873.db2.gz KQZHWZIJHXELSL-SNVBAGLBSA-N 1 0 273.323 3.487 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CCc3cccc(O)c32)cc1OC ZINC000296084083 373016815 /nfs/dbraw/zinc/01/68/15/373016815.db2.gz STPRWENAJOCLJE-CQSZACIVSA-N 1 0 299.370 3.187 20 10 CGCDRO Cc1ncsc1CC[NH2+][C@H](C)c1cc(F)ccc1O ZINC000296602302 373190623 /nfs/dbraw/zinc/19/06/23/373190623.db2.gz VRDBJPGQTSNAGZ-SECBINFHSA-N 1 0 280.368 3.190 20 10 CGCDRO COC[C@@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1ccc(C)o1 ZINC000297516810 373274110 /nfs/dbraw/zinc/27/41/10/373274110.db2.gz CWORKZVUKVTSSJ-ZIAGYGMSSA-N 1 0 287.359 3.258 20 10 CGCDRO CSC(C)(C)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297537892 373274816 /nfs/dbraw/zinc/27/48/16/373274816.db2.gz DXKQATPNAOVZMU-LLVKDONJSA-N 1 0 251.395 3.111 20 10 CGCDRO Cc1cccc([C@H](O)C[NH2+][C@H]2CCc3cccc(O)c32)c1 ZINC000296883451 373251391 /nfs/dbraw/zinc/25/13/91/373251391.db2.gz OICWDLFBQYUVSX-DOTOQJQBSA-N 1 0 283.371 3.011 20 10 CGCDRO CCC[N@H+](CCCCCCO)Cc1ccccc1O ZINC000175776724 373518814 /nfs/dbraw/zinc/51/88/14/373518814.db2.gz XRHZMSQUGFWDDH-UHFFFAOYSA-N 1 0 265.397 3.157 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H]2c2cccn2C)c1 ZINC000179598528 373893414 /nfs/dbraw/zinc/89/34/14/373893414.db2.gz YNDMMXQMUIESSG-MRXNPFEDSA-N 1 0 286.375 3.076 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+](C)[C@@H]2CCSC2)c1O ZINC000179681406 373905253 /nfs/dbraw/zinc/90/52/53/373905253.db2.gz PLFQEURCGOYSCL-GFCCVEGCSA-N 1 0 271.813 3.291 20 10 CGCDRO COC[C@H]([NH2+]Cc1cc(Cl)cc(C)c1O)c1ccco1 ZINC000182531856 374286798 /nfs/dbraw/zinc/28/67/98/374286798.db2.gz TYPMFWAVJFUXIN-ZDUSSCGKSA-N 1 0 295.766 3.424 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC[C@H]2CCCCO2)c1 ZINC000182895416 374338888 /nfs/dbraw/zinc/33/88/88/374338888.db2.gz BGZSGTUFTOIVIJ-CHWSQXEVSA-N 1 0 279.380 3.011 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H](O)Cc1ccccc1)c1ccccc1O ZINC000183321250 374400929 /nfs/dbraw/zinc/40/09/29/374400929.db2.gz ZOADOJVUBRNRGW-NVXWUHKLSA-N 1 0 285.387 3.037 20 10 CGCDRO C[C@@H]([NH2+]Cc1cccc2c1OCCCO2)c1ccccc1O ZINC000183622405 374434346 /nfs/dbraw/zinc/43/43/46/374434346.db2.gz WJZXGFBPOZMVEO-CYBMUJFWSA-N 1 0 299.370 3.404 20 10 CGCDRO CCCOc1ncccc1C[NH2+][C@H](C)c1ccccc1O ZINC000183448605 374416522 /nfs/dbraw/zinc/41/65/22/374416522.db2.gz LRKNXPGEBWCWKO-CYBMUJFWSA-N 1 0 286.375 3.427 20 10 CGCDRO CCc1nn(C)c(CC)c1C[NH2+][C@H](C)c1ccccc1O ZINC000183629534 374436145 /nfs/dbraw/zinc/43/61/45/374436145.db2.gz RDZHKWAPGSAEEU-GFCCVEGCSA-N 1 0 287.407 3.101 20 10 CGCDRO COC[C@H]([NH2+][C@@H](C)c1ccccc1O)c1ccc(C)o1 ZINC000183541178 374426399 /nfs/dbraw/zinc/42/63/99/374426399.db2.gz GHVWDBGPPDMZDM-JSGCOSHPSA-N 1 0 275.348 3.332 20 10 CGCDRO C[C@H](C[NH2+][C@@H](C)c1cc(F)ccc1O)c1nccs1 ZINC000186751855 374912542 /nfs/dbraw/zinc/91/25/42/374912542.db2.gz ZFYMMSSHOAZBQU-ZJUUUORDSA-N 1 0 280.368 3.442 20 10 CGCDRO CO[C@H](C)[C@H](C)[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000191644363 375647339 /nfs/dbraw/zinc/64/73/39/375647339.db2.gz DWTGPLRIPKOTSY-YNEHKIRRSA-N 1 0 277.408 3.345 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+][C@H]2[C@@H](C)[C@H](C)O[C@H]2C)c1O ZINC000529670050 375933469 /nfs/dbraw/zinc/93/34/69/375933469.db2.gz QCCPGKTYUAJJQZ-RMIALFOJSA-N 1 0 283.799 3.256 20 10 CGCDRO C[C@H]([NH2+]Cc1cn2ccccc2n1)c1ccc(N(C)C)cc1 ZINC000268698937 378092899 /nfs/dbraw/zinc/09/28/99/378092899.db2.gz AUONFZOBVFHRBY-AWEZNQCLSA-N 1 0 294.402 3.251 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)c1 ZINC000270653032 378383067 /nfs/dbraw/zinc/38/30/67/378383067.db2.gz MLSBVELEAOGUQY-ZBFHGGJFSA-N 1 0 277.408 3.384 20 10 CGCDRO CCC[N@H+](C)C[C@H]1CCN(Cc2c(O)cccc2Cl)C1 ZINC000271198923 378478894 /nfs/dbraw/zinc/47/88/94/378478894.db2.gz VSRKLKJGKAUEGB-CYBMUJFWSA-N 1 0 296.842 3.209 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000271456204 378493846 /nfs/dbraw/zinc/49/38/46/378493846.db2.gz GRHIEGAUSJRYDO-UNEWFSDZSA-N 1 0 276.424 3.361 20 10 CGCDRO CC(C)[C@H](O)C1(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000271903992 378511300 /nfs/dbraw/zinc/51/13/00/378511300.db2.gz WBXXCVSJNYPSMD-YOEHRIQHSA-N 1 0 290.451 3.200 20 10 CGCDRO COc1cc(C[NH2+][C@H](C)c2ccc(C)c(C)c2O)ccn1 ZINC000273419029 378746722 /nfs/dbraw/zinc/74/67/22/378746722.db2.gz ROYJQGGUCKIWEB-CYBMUJFWSA-N 1 0 286.375 3.263 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](C)COCC(F)(F)F)c1 ZINC000273466230 378748364 /nfs/dbraw/zinc/74/83/64/378748364.db2.gz DWGWHYAKMWWWGS-GHMZBOCLSA-N 1 0 291.313 3.319 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cn[nH]c2)c(O)c1C ZINC000273508641 378750102 /nfs/dbraw/zinc/75/01/02/378750102.db2.gz RHTZOULEXBSDBF-NWDGAFQWSA-N 1 0 259.353 3.144 20 10 CGCDRO CCC(O)(CC)C[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000273561359 378751677 /nfs/dbraw/zinc/75/16/77/378751677.db2.gz IFCUTVMBZFQEOO-ZDUSSCGKSA-N 1 0 265.397 3.211 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H](CCO)C(C)C)c(O)c1C ZINC000273558521 378752663 /nfs/dbraw/zinc/75/26/63/378752663.db2.gz HLYUHQITFBPZFT-DZGCQCFKSA-N 1 0 265.397 3.067 20 10 CGCDRO CO[C@@H](C)CC[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000273600668 378756709 /nfs/dbraw/zinc/75/67/09/378756709.db2.gz RWBHMOHCIUGFFE-VHSXEESVSA-N 1 0 257.761 3.121 20 10 CGCDRO COc1ccc(N2CCC[N@H+](CCCCCF)CC2)cc1 ZINC000375326744 379493571 /nfs/dbraw/zinc/49/35/71/379493571.db2.gz LXNFTXLTSAYXNK-UHFFFAOYSA-N 1 0 294.414 3.347 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CCO[C@H](C(C)(C)C)C2)c1O ZINC000280454383 379709841 /nfs/dbraw/zinc/70/98/41/379709841.db2.gz LOEDBUWLIRJWTA-HNNXBMFYSA-N 1 0 293.407 3.038 20 10 CGCDRO CCCOc1ccc(C[N@@H+]2CCCO[C@H](CC)C2)c(O)c1 ZINC000281335755 379830614 /nfs/dbraw/zinc/83/06/14/379830614.db2.gz SIQRHZBOMOIIEB-OAHLLOKOSA-N 1 0 293.407 3.182 20 10 CGCDRO CO[C@@H]1CC[N@H+](Cc2cc(C)c(C)cc2O)[C@H](C)C1 ZINC000282114741 379856567 /nfs/dbraw/zinc/85/65/67/379856567.db2.gz ALPVEAFZLCXIRJ-UKRRQHHQSA-N 1 0 263.381 3.008 20 10 CGCDRO CCSCCC[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000282934941 380014025 /nfs/dbraw/zinc/01/40/25/380014025.db2.gz YPZUVBUGEKCMDY-SNVBAGLBSA-N 1 0 257.374 3.325 20 10 CGCDRO CC[C@@H]([NH2+]CCC1(O)CCC1)c1ccc(N(C)C)cc1 ZINC000284368502 380139187 /nfs/dbraw/zinc/13/91/87/380139187.db2.gz NNHMSVZIHGLNEP-MRXNPFEDSA-N 1 0 276.424 3.098 20 10 CGCDRO CC[C@H]([NH2+]Cc1cc(C)nn1C)c1ccc(N(C)C)cc1 ZINC000284562902 380140965 /nfs/dbraw/zinc/14/09/65/380140965.db2.gz YKOCGINSOAYPMU-KRWDZBQOSA-N 1 0 286.423 3.035 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCC[C@@H](C)CO)c(O)c1 ZINC000285341927 380146879 /nfs/dbraw/zinc/14/68/79/380146879.db2.gz UURRTMODMBRURG-RISCZKNCSA-N 1 0 265.397 3.068 20 10 CGCDRO Cc1noc(C)c1C(C)(C)[NH2+]Cc1cc(C)ccc1O ZINC000285602567 380151013 /nfs/dbraw/zinc/15/10/13/380151013.db2.gz WRKUEHYPDMJSAF-UHFFFAOYSA-N 1 0 274.364 3.330 20 10 CGCDRO COCC[C@@H]1CCCC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000364253219 382267610 /nfs/dbraw/zinc/26/76/10/382267610.db2.gz LGBDQGRWJHLBGR-HNNXBMFYSA-N 1 0 277.408 3.339 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cnc3n2CCCC3)c(O)c1C ZINC000367439392 382348638 /nfs/dbraw/zinc/34/86/38/382348638.db2.gz UHFVKJHJQUBVSY-CQSZACIVSA-N 1 0 299.418 3.393 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CCCC3(CC3)C2)c1O ZINC000186623114 262102265 /nfs/dbraw/zinc/10/22/65/262102265.db2.gz RGXQYXDSITVQAD-UHFFFAOYSA-N 1 0 261.365 3.167 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1cnn(C)c1 ZINC000122916478 392425424 /nfs/dbraw/zinc/42/54/24/392425424.db2.gz JJBXGTVHCAXNHE-QGZVFWFLSA-N 1 0 298.434 3.043 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCOc3cc(O)ccc3C2)cc1C ZINC000289685052 392428114 /nfs/dbraw/zinc/42/81/14/392428114.db2.gz OBDSLLURTJCZQV-UHFFFAOYSA-N 1 0 299.370 3.109 20 10 CGCDRO CSC[C@@H]1CCC[N@@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000135471550 392474972 /nfs/dbraw/zinc/47/49/72/392474972.db2.gz SODSWDHEKVXGFR-ZDUSSCGKSA-N 1 0 297.395 3.061 20 10 CGCDRO C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCc3cccc(O)c32)CCO1 ZINC000296609621 392561175 /nfs/dbraw/zinc/56/11/75/392561175.db2.gz YIZHPOVCXSMZSI-UMVBOHGHSA-N 1 0 275.392 3.174 20 10 CGCDRO CCOC(C)(C)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000159187615 392579058 /nfs/dbraw/zinc/57/90/58/392579058.db2.gz GRBQQOXXSYDNRY-ZDUSSCGKSA-N 1 0 264.413 3.218 20 10 CGCDRO Cc1cc(Cl)cc(C[N@H+](CC(C)(C)O)C2CC2)c1O ZINC000189943499 392809427 /nfs/dbraw/zinc/80/94/27/392809427.db2.gz GUULZLXLDCDKSZ-UHFFFAOYSA-N 1 0 283.799 3.089 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]CC2(SC)CC2)c1O ZINC000193366455 392875978 /nfs/dbraw/zinc/87/59/78/392875978.db2.gz XHFXIPACGOLSFY-UHFFFAOYSA-N 1 0 287.812 3.039 20 10 CGCDRO CSC1(C[NH2+]Cc2cc(C)c(C)cc2O)CCC1 ZINC000193645682 392883036 /nfs/dbraw/zinc/88/30/36/392883036.db2.gz ADKRBCMUTKWKPV-UHFFFAOYSA-N 1 0 265.422 3.384 20 10 CGCDRO CO[C@H]1CC[N@H+](Cc2ccc(N(C)C)c(F)c2)CC1(C)C ZINC000295141442 286059281 /nfs/dbraw/zinc/05/92/81/286059281.db2.gz ZWCKEJMWFYITQO-INIZCTEOSA-N 1 0 294.414 3.139 20 10 CGCDRO Oc1ccccc1C[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000005043913 170059945 /nfs/dbraw/zinc/05/99/45/170059945.db2.gz FAQWQPHKRJDQFT-UHFFFAOYSA-N 1 0 257.377 3.451 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cccs2)c1 ZINC000020139210 171026208 /nfs/dbraw/zinc/02/62/08/171026208.db2.gz PZXBBVHWAVBQNH-SNVBAGLBSA-N 1 0 263.362 3.313 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)c2ccccc2)c(O)c1 ZINC000035601174 172289720 /nfs/dbraw/zinc/28/97/20/172289720.db2.gz UKMWQQHXKPCSPT-GUYCJALGSA-N 1 0 271.360 3.085 20 10 CGCDRO Cc1c([C@@H](C)[NH2+][C@@H](C)c2cc(C)ccc2O)cnn1C ZINC000037167916 260072567 /nfs/dbraw/zinc/07/25/67/260072567.db2.gz IREGAHXGUKRDMV-NWDGAFQWSA-N 1 0 273.380 3.154 20 10 CGCDRO C[C@](O)(C[NH2+]Cc1c(O)cccc1Cl)c1cccs1 ZINC000153010116 261072418 /nfs/dbraw/zinc/07/24/18/261072418.db2.gz DLBYAYVNCXKVKY-AWEZNQCLSA-N 1 0 297.807 3.104 20 10 CGCDRO CC[C@@H]([NH2+]CC(C)(C)[C@H](O)C(C)C)c1ccccc1O ZINC000156910556 261134908 /nfs/dbraw/zinc/13/49/08/261134908.db2.gz XPWPMQSZRRZMOE-GDBMZVCRSA-N 1 0 279.424 3.476 20 10 CGCDRO Oc1ccccc1C[NH2+]C[C@H]1CCOc2ccccc21 ZINC000108880473 261389162 /nfs/dbraw/zinc/38/91/62/261389162.db2.gz PFOCVYUSWRFLOD-CYBMUJFWSA-N 1 0 269.344 3.048 20 10 CGCDRO Cc1ccc(O)c(CN2CCC[N@@H+](C3CCCC3)CC2)c1 ZINC000179771604 261815556 /nfs/dbraw/zinc/81/55/56/261815556.db2.gz HPUKSDKJSYWIER-UHFFFAOYSA-N 1 0 288.435 3.151 20 10 CGCDRO CCO[C@H](CC[NH2+][C@@H](C)c1ccccc1O)C(C)C ZINC000183540433 261979714 /nfs/dbraw/zinc/97/97/14/261979714.db2.gz BSUWINAIPZJIMR-XJKSGUPXSA-N 1 0 265.397 3.494 20 10 CGCDRO C[C@H]([NH2+]C1CCN(C)CC1)c1cc2c(cc1O)CCCC2 ZINC000184897529 262032482 /nfs/dbraw/zinc/03/24/82/262032482.db2.gz XSSZJTMWJMPASH-ZDUSSCGKSA-N 1 0 288.435 3.016 20 10 CGCDRO CC[C@H](C[NH2+][C@H](C)c1ccc(C)cc1O)N1CCCC1 ZINC000184990951 262036739 /nfs/dbraw/zinc/03/67/39/262036739.db2.gz UYHYWKZRJSNTDZ-HUUCEWRRSA-N 1 0 276.424 3.226 20 10 CGCDRO C[C@H](O)c1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2O)cc1 ZINC000185120620 262042718 /nfs/dbraw/zinc/04/27/18/262042718.db2.gz GQWYGXFURPXVRM-RYUDHWBXSA-N 1 0 289.350 3.435 20 10 CGCDRO Cc1noc(C)c1CC[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000185396113 262052938 /nfs/dbraw/zinc/05/29/38/262052938.db2.gz GBDVCEDJUYQQCU-NSHDSACASA-N 1 0 274.364 3.199 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@](C)(O)c2cccs2)c(O)c1 ZINC000185519248 262058011 /nfs/dbraw/zinc/05/80/11/262058011.db2.gz BLPSFKPCNNIBAI-MLGOLLRUSA-N 1 0 291.416 3.320 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@](C)(O)c2cccs2)c(O)c1 ZINC000185519212 262058178 /nfs/dbraw/zinc/05/81/78/262058178.db2.gz BLPSFKPCNNIBAI-WBMJQRKESA-N 1 0 291.416 3.320 20 10 CGCDRO C[C@@H]([NH2+]C[C@](C)(O)c1ccsc1)c1cc(F)ccc1O ZINC000185529771 262058588 /nfs/dbraw/zinc/05/85/88/262058588.db2.gz QWRXMQDSOIWDAQ-BMIGLBTASA-N 1 0 295.379 3.151 20 10 CGCDRO C[C@@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1cc(F)ccc1O ZINC000185529808 262058834 /nfs/dbraw/zinc/05/88/34/262058834.db2.gz QWRXMQDSOIWDAQ-MEBBXXQBSA-N 1 0 295.379 3.151 20 10 CGCDRO CCC[C@@H](CCO)C[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000185605358 262061805 /nfs/dbraw/zinc/06/18/05/262061805.db2.gz LSZWNNAUARPJBX-NEPJUHHUSA-N 1 0 285.815 3.495 20 10 CGCDRO CSC1(C[NH2+][C@H](C)c2cc(C)ccc2O)CCOCC1 ZINC000186080895 262077935 /nfs/dbraw/zinc/07/79/35/262077935.db2.gz XGAMICFCLWXLDU-CYBMUJFWSA-N 1 0 295.448 3.263 20 10 CGCDRO COC[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)C1CC1 ZINC000186153359 262081661 /nfs/dbraw/zinc/08/16/61/262081661.db2.gz UZNHGQPEQKZDOV-ZANVPECISA-N 1 0 269.772 3.121 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCCc2ccccn2)c(O)c1 ZINC000186140861 262082029 /nfs/dbraw/zinc/08/20/29/262082029.db2.gz RDZVLQRLSQCVNC-CQSZACIVSA-N 1 0 270.376 3.379 20 10 CGCDRO COC1(C[NH2+][C@@H](C)c2ccccc2O)CCCCC1 ZINC000186508298 262095465 /nfs/dbraw/zinc/09/54/65/262095465.db2.gz SOLOIWGBIAOEAV-ZDUSSCGKSA-N 1 0 263.381 3.392 20 10 CGCDRO COCCC(C)(C)C[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000183931730 262255942 /nfs/dbraw/zinc/25/59/42/262255942.db2.gz XIOQXCMBJXBAEB-ZDUSSCGKSA-N 1 0 265.397 3.414 20 10 CGCDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccccc1O ZINC000272919510 263010068 /nfs/dbraw/zinc/01/00/68/263010068.db2.gz XXRUOKBXRFQMSP-GFCCVEGCSA-N 1 0 286.331 3.194 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2Cc3ccccc3[C@H]2O)c(O)c1C ZINC000368225123 267154050 /nfs/dbraw/zinc/15/40/50/267154050.db2.gz VJBCNCUFTSEQBZ-BOFPYLFWSA-N 1 0 297.398 3.318 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCc3c[nH]nc3C2)cc1 ZINC000370663796 267336401 /nfs/dbraw/zinc/33/64/01/267336401.db2.gz YMSOFUDXGSLAIW-XJKSGUPXSA-N 1 0 298.434 3.074 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000370720746 267341895 /nfs/dbraw/zinc/34/18/95/267341895.db2.gz ORGJUPXODGBZOW-ZDUSSCGKSA-N 1 0 295.810 3.294 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2OC)c1 ZINC000273368692 277918302 /nfs/dbraw/zinc/91/83/02/277918302.db2.gz BWUORELRNWWERF-PEYYIBSZSA-N 1 0 279.380 3.009 20 10 CGCDRO CC[C@H]([NH2+]C[C@H](C)C[NH+](C)C)c1cccc(Cl)c1[O-] ZINC000293630300 288046878 /nfs/dbraw/zinc/04/68/78/288046878.db2.gz KERSTGWBAOIVBC-FZMZJTMJSA-N 1 0 284.831 3.284 20 10 CGCDRO CC(C)[C@H](CCO)[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000273596464 280233779 /nfs/dbraw/zinc/23/37/79/280233779.db2.gz QVNKDWYDAFBCEW-MFKMUULPSA-N 1 0 271.788 3.103 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCc2cccc(O)c21)[C@@H](O)c1ccccc1 ZINC000297225033 290058318 /nfs/dbraw/zinc/05/83/18/290058318.db2.gz HLRKQFIHZXINMS-XLWVJDPXSA-N 1 0 283.371 3.091 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)CN2CCCCC2)c(O)c1 ZINC000037153217 301711007 /nfs/dbraw/zinc/71/10/07/301711007.db2.gz MNDHETCWOOVLDF-LSDHHAIUSA-N 1 0 276.424 3.226 20 10 CGCDRO CC[C@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccccc1O ZINC000157023394 327613652 /nfs/dbraw/zinc/61/36/52/327613652.db2.gz GPLNKSZDIANEAR-OTRWWLKZSA-N 1 0 287.403 3.391 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](CO)c2ccccc2)c1 ZINC000185652114 327842282 /nfs/dbraw/zinc/84/22/82/327842282.db2.gz MCBIMORQLISYHH-ZBFHGGJFSA-N 1 0 285.387 3.127 20 10 CGCDRO CC[C@H](O)CC[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000185801871 327845510 /nfs/dbraw/zinc/84/55/10/327845510.db2.gz BMIPPLDKOHXNTR-WFASDCNBSA-N 1 0 277.408 3.083 20 10 CGCDRO C[C@@H]([NH2+]CCC[C@H](C)O)c1cc2c(cc1O)CCCC2 ZINC000278958681 328232237 /nfs/dbraw/zinc/23/22/37/328232237.db2.gz BEKFHRFUHKIRBU-QWHCGFSZSA-N 1 0 277.408 3.083 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCCC[C@H]2c2cc[nH]n2)c1O ZINC000289562242 328255454 /nfs/dbraw/zinc/25/54/54/328255454.db2.gz RWCXUDIGCYQSSR-HNNXBMFYSA-N 1 0 271.364 3.151 20 10 CGCDRO Oc1ccccc1C[N@H+]1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC000378494316 329052832 /nfs/dbraw/zinc/05/28/32/329052832.db2.gz KQNYFVRCJJMXFZ-PKOBYXMFSA-N 1 0 297.398 3.480 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000179579420 329209639 /nfs/dbraw/zinc/20/96/39/329209639.db2.gz NQDJAICMPNQMHY-IBGZPJMESA-N 1 0 295.382 3.066 20 10 CGCDRO Cc1cccc(C[NH2+]CCSC(F)(F)F)c1O ZINC000179786653 329212215 /nfs/dbraw/zinc/21/22/15/329212215.db2.gz GQMBPBNATAVXBJ-UHFFFAOYSA-N 1 0 265.300 3.043 20 10 CGCDRO C[C@H]([NH2+]Cc1ccccc1-n1ccnc1)c1ccccc1O ZINC000183444076 329247961 /nfs/dbraw/zinc/24/79/61/329247961.db2.gz BDBNSGBLYVUYRE-AWEZNQCLSA-N 1 0 293.370 3.429 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCN2C2CCCC2)c1 ZINC000528005302 330299548 /nfs/dbraw/zinc/29/95/48/330299548.db2.gz ZGYKIPMSQVLYMB-ZBFHGGJFSA-N 1 0 288.435 3.368 20 10 CGCDRO COc1ccccc1[C@H](C)[NH2+]Cc1cc(F)ccc1O ZINC000226581951 333265380 /nfs/dbraw/zinc/26/53/80/333265380.db2.gz SQCJLEBZMRLHCE-NSHDSACASA-N 1 0 275.323 3.391 20 10 CGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@](C)(OC)C2)c1O ZINC000230300140 333316346 /nfs/dbraw/zinc/31/63/46/333316346.db2.gz GMXLICYHLWUAID-HNNXBMFYSA-N 1 0 299.798 3.055 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC(C)(C)CCCO)c1 ZINC000230666374 333320319 /nfs/dbraw/zinc/32/03/19/333320319.db2.gz LTDKNUOUCKCZEC-CYBMUJFWSA-N 1 0 265.397 3.150 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+][C@]23C[C@H]2COC3(C)C)c1O ZINC000529645677 333503485 /nfs/dbraw/zinc/50/34/85/333503485.db2.gz UKTDCBJAONXLFE-XHDPSFHLSA-N 1 0 281.783 3.011 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)N[C@H]2CC[NH2+]C23CCC3)c1O ZINC000530215518 333528210 /nfs/dbraw/zinc/52/82/10/333528210.db2.gz GZTAOXYOLUVEKC-RISCZKNCSA-N 1 0 294.826 3.289 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C1)c1ccccc1O ZINC000272800411 334756577 /nfs/dbraw/zinc/75/65/77/334756577.db2.gz BGQHVEVTEOWTES-RDJZCZTQSA-N 1 0 296.414 3.317 20 10 CGCDRO CC[C@@H]([NH2+][C@H](CO)CC1CCC1)c1ccc(C)cc1O ZINC000281201509 500722779 /nfs/dbraw/zinc/72/27/79/500722779.db2.gz SCDXEDSXMOGTKQ-GOEBONIOSA-N 1 0 277.408 3.292 20 10 CGCDRO CC(C)(O)C1C[NH+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000297485295 519338652 /nfs/dbraw/zinc/33/86/52/519338652.db2.gz UPHPKJQWLIVFBQ-UHFFFAOYSA-N 1 0 297.398 3.262 20 10 CGCDRO CCC1([NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000296534146 519846058 /nfs/dbraw/zinc/84/60/58/519846058.db2.gz QQGRNTKXAHAPTK-ZDUSSCGKSA-N 1 0 292.398 3.256 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](n3cccn3)C2)cc1 ZINC000365847666 520896514 /nfs/dbraw/zinc/89/65/14/520896514.db2.gz OJYVKJQJOBXZEK-GOSISDBHSA-N 1 0 298.434 3.176 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC(F)(F)[C@@H](C)C2)c1 ZINC000291552401 521142223 /nfs/dbraw/zinc/14/22/23/521142223.db2.gz MLDUGKJIKAQYJM-NSHDSACASA-N 1 0 285.334 3.268 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CCS[C@@H](C)[C@@H]2C)c1O ZINC000093500496 521339735 /nfs/dbraw/zinc/33/97/35/521339735.db2.gz MMIGYUUIRWGXFR-RYUDHWBXSA-N 1 0 281.421 3.117 20 10 CGCDRO CCC(CC)(CC)[NH2+]Cc1cccc(OC)c1O ZINC000086642264 521401730 /nfs/dbraw/zinc/40/17/30/521401730.db2.gz MYJQEOLZRPTFLV-UHFFFAOYSA-N 1 0 251.370 3.459 20 10 CGCDRO CC[C@@H](C)C[C@H](C)[NH2+]Cc1cccc(OC)c1O ZINC000088292935 522025272 /nfs/dbraw/zinc/02/52/72/522025272.db2.gz FWOMTANYTAQHBY-NEPJUHHUSA-N 1 0 251.370 3.315 20 10 CGCDRO CN(C)c1ccc(C[N@H+](Cc2cccnc2)C2CC2)cc1F ZINC000290504364 522172653 /nfs/dbraw/zinc/17/26/53/522172653.db2.gz PGZLSCRQNCSQDL-UHFFFAOYSA-N 1 0 299.393 3.451 20 10 CGCDRO CC[C@H](C[NH2+][C@@H](CC)c1ccc(C)cc1O)OC ZINC000290216686 522198778 /nfs/dbraw/zinc/19/87/78/522198778.db2.gz QLSDIRNGNDRCOR-OCCSQVGLSA-N 1 0 251.370 3.166 20 10 CGCDRO COC[C@@H](C)C[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000045656363 522205660 /nfs/dbraw/zinc/20/56/60/522205660.db2.gz KGSZWCSBWMJYIW-STQMWFEESA-N 1 0 273.376 3.479 20 10 CGCDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000049092545 522296229 /nfs/dbraw/zinc/29/62/29/522296229.db2.gz QZNOMGORZTWBEH-HUUCEWRRSA-N 1 0 276.424 3.047 20 10 CGCDRO CC[C@H]([NH2+]Cc1cc(C)no1)c1ccc(C)cc1O ZINC000279975759 522641178 /nfs/dbraw/zinc/64/11/78/522641178.db2.gz DGWDLGDTHPKKTO-AWEZNQCLSA-N 1 0 260.337 3.238 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCOC[C@@H]1C)c1ccc(C)cc1O ZINC000280161276 522720470 /nfs/dbraw/zinc/72/04/70/522720470.db2.gz QRYODXJRLWCUGR-AEGPPILISA-N 1 0 263.381 3.166 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCc2nc(C)ncc2C1)c1ccccc1O ZINC000364773260 522724258 /nfs/dbraw/zinc/72/42/58/522724258.db2.gz DKYKVPXXGIBRMZ-ZBFHGGJFSA-N 1 0 297.402 3.089 20 10 CGCDRO CC[C@@H]([NH2+]CC[C@@H](C)OC)c1ccc(N(C)C)cc1 ZINC000268808947 522840006 /nfs/dbraw/zinc/84/00/06/522840006.db2.gz CRGABDYQFNJHPJ-CZUORRHYSA-N 1 0 264.413 3.218 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H]1CCCOC1)c1ccc(C)cc1O ZINC000280203796 522864139 /nfs/dbraw/zinc/86/41/39/522864139.db2.gz SXWCWFJQDHLJNB-UKRRQHHQSA-N 1 0 263.381 3.168 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C(C)C ZINC000049127166 522878335 /nfs/dbraw/zinc/87/83/35/522878335.db2.gz UKMIIKIGCJUEPK-QGZVFWFLSA-N 1 0 276.424 3.047 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1O)c1ccc(C)cc1O ZINC000280245648 522931557 /nfs/dbraw/zinc/93/15/57/522931557.db2.gz WICZUIPVHRLKCL-NZSAHSFTSA-N 1 0 297.398 3.400 20 10 CGCDRO CO[C@@H](C)[C@H](C)[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000276134644 523444629 /nfs/dbraw/zinc/44/46/29/523444629.db2.gz MCNCEMHORWSYDL-AVGNSLFASA-N 1 0 251.370 3.083 20 10 CGCDRO Cc1cccc(C[N@@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c1O ZINC000291669410 524386143 /nfs/dbraw/zinc/38/61/43/524386143.db2.gz WETPVVNYGRWESL-GOEBONIOSA-N 1 0 275.392 3.090 20 10 CGCDRO Cc1cccc(C[N@@H+]2CC[C@H](CC(F)(F)F)C2)c1O ZINC000278403400 524406577 /nfs/dbraw/zinc/40/65/77/524406577.db2.gz OPBHKOCKLOZQQW-LLVKDONJSA-N 1 0 273.298 3.475 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H]2c3ccccc3O[C@H]2C)c1O ZINC000290275069 524437914 /nfs/dbraw/zinc/43/79/14/524437914.db2.gz YIUYYIFMVBOAFJ-LRDDRELGSA-N 1 0 269.344 3.312 20 10 CGCDRO COc1ccc(O)c(C[NH2+]CCSc2ccccc2)c1 ZINC000037904114 524748749 /nfs/dbraw/zinc/74/87/49/524748749.db2.gz BXPYRQQTVWLNOK-UHFFFAOYSA-N 1 0 289.400 3.283 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccccc2F)c1 ZINC000019950191 524765419 /nfs/dbraw/zinc/76/54/19/524765419.db2.gz XGFZWBYNXGELQW-LLVKDONJSA-N 1 0 275.323 3.391 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)CC(C)C)c1 ZINC000037261105 524770892 /nfs/dbraw/zinc/77/08/92/524770892.db2.gz UVQZTHCUSADCLH-RYUDHWBXSA-N 1 0 251.370 3.486 20 10 CGCDRO C[C@H]([NH2+]C1CC(F)(F)C1)c1cc(Cl)ccc1O ZINC000277089136 525286766 /nfs/dbraw/zinc/28/67/66/525286766.db2.gz KJPJAUNUPJWNLI-ZETCQYMHSA-N 1 0 261.699 3.494 20 10 CGCDRO CSC1(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000193829685 525339021 /nfs/dbraw/zinc/33/90/21/525339021.db2.gz FDLKGYUJMFYTNI-GFCCVEGCSA-N 1 0 264.438 3.299 20 10 CGCDRO C[C@H]([NH2+]CCN(C)C1CCCC1)c1cc(F)ccc1O ZINC000094618199 525350989 /nfs/dbraw/zinc/35/09/89/525350989.db2.gz DMNNVLQFEDCMAC-LBPRGKRZSA-N 1 0 280.387 3.056 20 10 CGCDRO c1[nH]c2ccccc2c1CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000043288641 526392978 /nfs/dbraw/zinc/39/29/78/526392978.db2.gz CZJFHSICVXAMBH-UHFFFAOYSA-N 1 0 292.382 3.435 20 10 CGCDRO CC[C@H]1CCC[N@@H+]1Cc1c(O)ccc2ccncc21 ZINC000727824427 571771534 /nfs/dbraw/zinc/77/15/34/571771534.db2.gz PFCBZRNTHKCSKQ-ZDUSSCGKSA-N 1 0 256.349 3.315 20 10 CGCDRO Cc1cc(O)c(CN2CCC[C@H]([NH+](C)C)C2)cc1C(C)C ZINC000738145868 572365625 /nfs/dbraw/zinc/36/56/25/572365625.db2.gz SHORCJBFIJQVGX-INIZCTEOSA-N 1 0 290.451 3.350 20 10 CGCDRO C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)CCC3)C[C@H](C)S1 ZINC000743373889 572396833 /nfs/dbraw/zinc/39/68/33/572396833.db2.gz ACKQZVCPZAWVCK-TXEJJXNPSA-N 1 0 277.433 3.207 20 10 CGCDRO CC(C)OCCC[N@H+](C)Cc1c(O)ccc2ccncc21 ZINC000740856180 572461482 /nfs/dbraw/zinc/46/14/82/572461482.db2.gz AXCKCNCLVNGIFF-UHFFFAOYSA-N 1 0 288.391 3.187 20 10 CGCDRO CCOCc1cc(C[NH2+]C[C@H]2CC2(C)C)ccc1OC ZINC000732820752 572484670 /nfs/dbraw/zinc/48/46/70/572484670.db2.gz OGJYSQAMGOFQOC-OAHLLOKOSA-N 1 0 277.408 3.367 20 10 CGCDRO COc1cccc(O)c1C[NH2+]C[C@@H](C)C(C)(C)C ZINC000734510822 572661548 /nfs/dbraw/zinc/66/15/48/572661548.db2.gz UBZILPOVACWVDD-LLVKDONJSA-N 1 0 251.370 3.173 20 10 CGCDRO CCOc1ccc(C[NH2+]CC2(CC)CCOCC2)c(O)c1 ZINC000744449663 572754178 /nfs/dbraw/zinc/75/41/78/572754178.db2.gz AZCVZMHBKLFGFY-UHFFFAOYSA-N 1 0 293.407 3.087 20 10 CGCDRO CC[N@H+](Cc1ccc(C)cc1)Cc1cc2c(cc1O)OCO2 ZINC000746027800 572848493 /nfs/dbraw/zinc/84/84/93/572848493.db2.gz AZIGNRRKXMICTI-UHFFFAOYSA-N 1 0 299.370 3.451 20 10 CGCDRO CCc1cc(C[N@@H+]2CCCOCC2)c(O)c(C(C)(C)C)c1 ZINC000748073291 572958854 /nfs/dbraw/zinc/95/88/54/572958854.db2.gz WMXVDEVYVQFOSE-UHFFFAOYSA-N 1 0 291.435 3.474 20 10 CGCDRO CC[C@@H]1C[N@H+](Cc2cc(OC)c(C)cc2O)CCS1 ZINC000160320715 617956295 /nfs/dbraw/zinc/95/62/95/617956295.db2.gz DBTRDIZCLRTFPR-CYBMUJFWSA-N 1 0 281.421 3.037 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]C[C@H]1Cc2ccccc21 ZINC000083552416 618009183 /nfs/dbraw/zinc/00/91/83/618009183.db2.gz SYAUCCZRFSUMEL-GFCCVEGCSA-N 1 0 273.763 3.475 20 10 CGCDRO Oc1cccc(Cl)c1CNCCC[NH+]1CCCCC1 ZINC000083551574 618009662 /nfs/dbraw/zinc/00/96/62/618009662.db2.gz SPIVBOYPGPEADR-UHFFFAOYSA-N 1 0 282.815 3.011 20 10 CGCDRO COC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000307767196 618076549 /nfs/dbraw/zinc/07/65/49/618076549.db2.gz GINWBVYWQKPUFT-CYBMUJFWSA-N 1 0 299.798 3.055 20 10 CGCDRO Oc1ccccc1C[NH2+]Cc1ccc2cnccc2c1 ZINC000236565568 618096782 /nfs/dbraw/zinc/09/67/82/618096782.db2.gz WOBXPPGMRHVROW-UHFFFAOYSA-N 1 0 264.328 3.230 20 10 CGCDRO Cc1ccc2c(c1)nc(C[NH2+]Cc1cc(F)ccc1O)n2C ZINC000187575395 618098544 /nfs/dbraw/zinc/09/85/44/618098544.db2.gz ZYYHPUPZIYUFPY-UHFFFAOYSA-N 1 0 299.349 3.016 20 10 CGCDRO Cc1cc(C[NH2+]C2([C@H]3CCCCO3)CC2)ccc1N(C)C ZINC000933375560 618222548 /nfs/dbraw/zinc/22/25/48/618222548.db2.gz KYVGMWJRBKJYEC-QGZVFWFLSA-N 1 0 288.435 3.252 20 10 CGCDRO CCC1CC[NH+](Cc2ccc(OC)c(OC)c2O)CC1 ZINC000891748350 618276899 /nfs/dbraw/zinc/27/68/99/618276899.db2.gz PAMYGCHVKQQAII-UHFFFAOYSA-N 1 0 279.380 3.031 20 10 CGCDRO COc1ccc(C[N@@H+]2CCC[C@H](C)[C@H]2C)c(O)c1OC ZINC000891861545 618346714 /nfs/dbraw/zinc/34/67/14/618346714.db2.gz HKJAXZBAUWQEPH-NWDGAFQWSA-N 1 0 279.380 3.030 20 10 CGCDRO CC[C@@H](C)C[N@H+](CC)Cc1ccc(OC)c(OC)c1O ZINC000892193526 618583940 /nfs/dbraw/zinc/58/39/40/618583940.db2.gz XAGNPOHKUHNJEW-GFCCVEGCSA-N 1 0 281.396 3.277 20 10 CGCDRO CCN(CC)C[C@@H](C)[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000045691440 618622129 /nfs/dbraw/zinc/62/21/29/618622129.db2.gz SHEWYHYILNSHJQ-KGLIPLIRSA-N 1 0 264.413 3.082 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H](C)c1ccnnc1 ZINC000926596511 618757284 /nfs/dbraw/zinc/75/72/84/618757284.db2.gz OXPZTGXGQJUYPF-LSDHHAIUSA-N 1 0 298.434 3.133 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000051575261 618757491 /nfs/dbraw/zinc/75/74/91/618757491.db2.gz PHSGMZVTNMHJDC-AWEZNQCLSA-N 1 0 269.392 3.307 20 10 CGCDRO COc1cc(C[N@H+](C)Cc2scnc2C)c(O)cc1C ZINC000179443928 618785030 /nfs/dbraw/zinc/78/50/30/618785030.db2.gz RGCOTBCDWYSVKB-UHFFFAOYSA-N 1 0 292.404 3.106 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCS2)c(O)c1 ZINC000149710049 618792975 /nfs/dbraw/zinc/79/29/75/618792975.db2.gz VDXKELWGZAKALD-NEPJUHHUSA-N 1 0 251.395 3.247 20 10 CGCDRO COc1cccc(C[NH2+][C@@H](C)C2CCCCC2)c1O ZINC000052332745 618823896 /nfs/dbraw/zinc/82/38/96/618823896.db2.gz XDVIWNKKFZZOBZ-LBPRGKRZSA-N 1 0 263.381 3.459 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)C1(Br)CC1 ZINC000924575272 618858306 /nfs/dbraw/zinc/85/83/06/618858306.db2.gz UEWJWUHTQQETDJ-LLVKDONJSA-N 1 0 297.240 3.158 20 10 CGCDRO Cc1ccsc1[C@@H](CO)[NH2+][C@H](C)c1ccccc1O ZINC000783518723 618912096 /nfs/dbraw/zinc/91/20/96/618912096.db2.gz NXWTZCOHGZKLHY-DGCLKSJQSA-N 1 0 277.389 3.146 20 10 CGCDRO COCCCC1(C[NH2+]Cc2ccc3c(c2)CCO3)CCC1 ZINC000892791981 618936856 /nfs/dbraw/zinc/93/68/56/618936856.db2.gz CLROCOSOMOVDRD-UHFFFAOYSA-N 1 0 289.419 3.308 20 10 CGCDRO Cc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2O)nc1C ZINC000314230270 618962712 /nfs/dbraw/zinc/96/27/12/618962712.db2.gz WBHLRXQHMLYVEH-GFCCVEGCSA-N 1 0 274.339 3.394 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(C)c(C)n2)c1 ZINC000314339105 618968623 /nfs/dbraw/zinc/96/86/23/618968623.db2.gz UVXHRLXWBDKOAS-ZDUSSCGKSA-N 1 0 286.375 3.263 20 10 CGCDRO CN(C)C1(C[NH2+][C@H]2CCc3cccc(O)c32)CCCCC1 ZINC000314445882 618984089 /nfs/dbraw/zinc/98/40/89/618984089.db2.gz CYHZKJULZZAOPN-HNNXBMFYSA-N 1 0 288.435 3.234 20 10 CGCDRO CC[C@H]1CC[C@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000310019117 619070614 /nfs/dbraw/zinc/07/06/14/619070614.db2.gz MIDSYXLVDCYSBA-JOYOIKCWSA-N 1 0 284.197 3.433 20 10 CGCDRO CC[C@H]1CC[C@@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000310019116 619070864 /nfs/dbraw/zinc/07/08/64/619070864.db2.gz MIDSYXLVDCYSBA-CABZTGNLSA-N 1 0 284.197 3.433 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H]1CCCN1C)c1cc(Cl)ccc1O ZINC000775490676 619074822 /nfs/dbraw/zinc/07/48/22/619074822.db2.gz XCOQVHVLWXIFOW-TZMCWYRMSA-N 1 0 282.815 3.181 20 10 CGCDRO CC(C)N(C)C[C@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000312467694 619078333 /nfs/dbraw/zinc/07/83/33/619078333.db2.gz WUQUPYLZUAFQQQ-GJZGRUSLSA-N 1 0 277.456 3.132 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000840910751 619119909 /nfs/dbraw/zinc/11/99/09/619119909.db2.gz RDICPVXCENXGQX-OAHLLOKOSA-N 1 0 288.435 3.062 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]Cc2cnccc2C)c1O ZINC000162674861 619127439 /nfs/dbraw/zinc/12/74/39/619127439.db2.gz QQIZWELKFWSQPC-UHFFFAOYSA-N 1 0 292.766 3.047 20 10 CGCDRO CC[C@H]([NH2+]CCc1ccc2c(c1)OCO2)c1ccccc1O ZINC000185206466 625321124 /nfs/dbraw/zinc/32/11/24/625321124.db2.gz NTULOAUTKCRRGB-HNNXBMFYSA-N 1 0 299.370 3.404 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)[C@H]2CCCO2)cc1 ZINC000020208510 619142016 /nfs/dbraw/zinc/14/20/16/619142016.db2.gz ZMOOJRQWBDERIM-WMLDXEAASA-N 1 0 276.424 3.190 20 10 CGCDRO CC1(C)COC[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000313067856 619162683 /nfs/dbraw/zinc/16/26/83/619162683.db2.gz WDPVCZROKDZWEA-KRWDZBQOSA-N 1 0 288.435 3.192 20 10 CGCDRO CCCN(CCC1CCOCC1)c1ccc(C[NH3+])cc1 ZINC000313282197 619167022 /nfs/dbraw/zinc/16/70/22/619167022.db2.gz DCTJQWKFACTMOK-UHFFFAOYSA-N 1 0 276.424 3.178 20 10 CGCDRO Oc1cc(Br)ccc1C[NH2+]C1CCCC1 ZINC000257868862 619183621 /nfs/dbraw/zinc/18/36/21/619183621.db2.gz ABWGBUAWKJHEQX-UHFFFAOYSA-N 1 0 270.170 3.187 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2C[C@H](C)[C@@H](C)[C@H]2C)c1O ZINC000841690118 619277651 /nfs/dbraw/zinc/27/76/51/619277651.db2.gz MBGCKHCKOMFNHT-YNEHKIRRSA-N 1 0 263.381 3.186 20 10 CGCDRO C[C@@H]([NH2+]CCCSc1nccs1)c1cccnc1 ZINC000092750582 619287693 /nfs/dbraw/zinc/28/76/93/619287693.db2.gz BYUDQKZTNJEPMR-LLVKDONJSA-N 1 0 279.434 3.371 20 10 CGCDRO CC[C@@H]([NH2+]Cc1c(O)cc(C)cc1Cl)[C@H](O)C(C)C ZINC000840969093 619293179 /nfs/dbraw/zinc/29/31/79/619293179.db2.gz YDFNQMYYAPZUCT-UKRRQHHQSA-N 1 0 285.815 3.239 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1ccoc1 ZINC000840977512 619309292 /nfs/dbraw/zinc/30/92/92/619309292.db2.gz VARGSPPBZKWOLZ-AWEZNQCLSA-N 1 0 272.392 3.375 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C1(C)CC(F)(F)C1 ZINC000877833888 619417415 /nfs/dbraw/zinc/41/74/15/619417415.db2.gz KZFATELBFZALOZ-UHFFFAOYSA-N 1 0 268.351 3.338 20 10 CGCDRO Cc1ccccc1C[N@@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000007091583 619512740 /nfs/dbraw/zinc/51/27/40/619512740.db2.gz IFBMCUHRWBLREM-UHFFFAOYSA-N 1 0 285.343 3.061 20 10 CGCDRO C[C@H](c1cccnc1)[N@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000894448089 619541715 /nfs/dbraw/zinc/54/17/15/619541715.db2.gz BDMHERWYWONCEI-SNVBAGLBSA-N 1 0 278.302 3.258 20 10 CGCDRO CCCC[N@H+](Cc1ccccc1O)Cc1c(C)ccnc1N ZINC000894679051 619601731 /nfs/dbraw/zinc/60/17/31/619601731.db2.gz JNTACCKSMJBBOQ-UHFFFAOYSA-N 1 0 299.418 3.480 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H]2c2ccncc2)c1O ZINC000894764915 619630402 /nfs/dbraw/zinc/63/04/02/619630402.db2.gz XDQHDKVBXAIAAT-MRXNPFEDSA-N 1 0 298.386 3.441 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CC3(CCC3)[C@@H]2C2CC2)c1O ZINC000894793370 619640467 /nfs/dbraw/zinc/64/04/67/619640467.db2.gz FDWQWVJEJQSGSB-KRWDZBQOSA-N 1 0 287.403 3.474 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCOC[C@H]1C(C)C ZINC000925081526 619644143 /nfs/dbraw/zinc/64/41/43/619644143.db2.gz RCAQNIUXWINBSN-ROUUACIJSA-N 1 0 290.451 3.212 20 10 CGCDRO CCOC[C@@H]1CCCC[N@@H+]1Cc1cc(C)cc(OC)c1O ZINC000894984164 619692223 /nfs/dbraw/zinc/69/22/23/619692223.db2.gz ISCCHTRFHFWZFA-HNNXBMFYSA-N 1 0 293.407 3.100 20 10 CGCDRO COCC1CCC([NH2+]Cc2cc(C)cc(OC)c2O)CC1 ZINC000894994677 619692381 /nfs/dbraw/zinc/69/23/81/619692381.db2.gz SPRGKZSMGRZFHB-UHFFFAOYSA-N 1 0 293.407 3.004 20 10 CGCDRO C[C@H]1CC2(CC([NH2+]CCCSc3nccs3)C2)CO1 ZINC000925102613 619698068 /nfs/dbraw/zinc/69/80/68/619698068.db2.gz MIIBYEAUBZZBLS-DCBWTQNWSA-N 1 0 298.477 3.173 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@H](C)Cc2ccsc2)c1 ZINC000049155860 619704990 /nfs/dbraw/zinc/70/49/90/619704990.db2.gz FFEQUQGWJJLJOM-LLVKDONJSA-N 1 0 277.389 3.183 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+][C@H]1CCc2cccnc21 ZINC000895135489 619748032 /nfs/dbraw/zinc/74/80/32/619748032.db2.gz ABAJOKMSFIBWOE-ZDUSSCGKSA-N 1 0 274.751 3.218 20 10 CGCDRO CC[C@H]([NH2+]Cc1cc(C)cc(OC)c1O)[C@@H]1CCCCO1 ZINC000895190531 619774187 /nfs/dbraw/zinc/77/41/87/619774187.db2.gz SPZOYJWNXLTUGA-GJZGRUSLSA-N 1 0 293.407 3.147 20 10 CGCDRO Cc1ccc(O)c(C[NH+]2CCC(OC3CCC3)CC2)c1 ZINC000841888192 619814546 /nfs/dbraw/zinc/81/45/46/619814546.db2.gz FTAAVXVPSSBFBV-UHFFFAOYSA-N 1 0 275.392 3.234 20 10 CGCDRO COc1cc(C[NH2+]CC2CSC2)c(O)c(C(C)(C)C)c1 ZINC000895423654 619827620 /nfs/dbraw/zinc/82/76/20/619827620.db2.gz SHMOCJGJONVWPT-UHFFFAOYSA-N 1 0 295.448 3.151 20 10 CGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2C[C@@H]3CSC[C@@H]3C2)cc1 ZINC000895780002 619886792 /nfs/dbraw/zinc/88/67/92/619886792.db2.gz ZANIYPCMAUPSHY-ZOSBBBERSA-N 1 0 288.460 3.061 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+][C@@H]1CCc2c1cccc2F ZINC000895855449 619897955 /nfs/dbraw/zinc/89/79/55/619897955.db2.gz RZEMRAZKHVIABT-OAHLLOKOSA-N 1 0 275.298 3.448 20 10 CGCDRO C[C@H]1CC[N@H+](Cc2ccc3ccccc3c2O)CCO1 ZINC000896577424 620029274 /nfs/dbraw/zinc/02/92/74/620029274.db2.gz KXNMKLZPSKAESZ-ZDUSSCGKSA-N 1 0 271.360 3.156 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@H](c2ccccn2)C2CC2)c1 ZINC000896611889 620035132 /nfs/dbraw/zinc/03/51/32/620035132.db2.gz GFTWWGBYVWRLCU-KRWDZBQOSA-N 1 0 284.359 3.037 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](CC)C1)c1ccc(N(C)C)cc1 ZINC000163264664 620210490 /nfs/dbraw/zinc/21/04/90/620210490.db2.gz CBBSQMSMCWQQHP-MAUKXSAKSA-N 1 0 289.467 3.135 20 10 CGCDRO [O-]c1c(Cl)cccc1C[NH2+]C1([C@H]2CCCCO2)CC1 ZINC000897387384 620280398 /nfs/dbraw/zinc/28/03/98/620280398.db2.gz SYKZJPUPNYGLGJ-CYBMUJFWSA-N 1 0 281.783 3.237 20 10 CGCDRO CCC(O)(CC)C[N@H+](C)Cc1cc(Cl)ccc1O ZINC000862539815 620299415 /nfs/dbraw/zinc/29/94/15/620299415.db2.gz SIDNQOJXKSCWAT-UHFFFAOYSA-N 1 0 271.788 3.029 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CC[C@H](C3CC3)O2)cc1C ZINC000897512435 620360254 /nfs/dbraw/zinc/36/02/54/620360254.db2.gz ZHMCIVBIAOJNGD-DOTOQJQBSA-N 1 0 275.392 3.056 20 10 CGCDRO COC[C@H](C)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000179195536 620371894 /nfs/dbraw/zinc/37/18/94/620371894.db2.gz KZOCNOZLNFPWSQ-HNNXBMFYSA-N 1 0 276.424 3.144 20 10 CGCDRO C[C@H]1CC2(CC([NH2+]Cc3c(O)cccc3Cl)C2)CO1 ZINC000897779849 620430368 /nfs/dbraw/zinc/43/03/68/620430368.db2.gz CGQJSFFFUSLEOX-NLTNOIMHSA-N 1 0 281.783 3.093 20 10 CGCDRO CC[C@@H]([NH2+]C[C@](C)(CC)OC)c1ccccc1O ZINC000322750339 620523689 /nfs/dbraw/zinc/52/36/89/620523689.db2.gz CDFXBTFPKWFFFU-HIFRSBDPSA-N 1 0 251.370 3.248 20 10 CGCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+][C@@H]1CCCC[C@H]1O ZINC000265263844 620525182 /nfs/dbraw/zinc/52/51/82/620525182.db2.gz RLCXNMFJUYUDQE-IEBWSBKVSA-N 1 0 297.398 3.452 20 10 CGCDRO C[C@H](C[NH2+]C[C@H](N)c1ccc(N(C)C)cc1)C(C)(C)C ZINC000841043426 620540574 /nfs/dbraw/zinc/54/05/74/620540574.db2.gz RWXLLXRBWKHKHK-CJNGLKHVSA-N 1 0 277.456 3.024 20 10 CGCDRO CC[C@@H]([NH2+]CCN1CCC(C)CC1)c1ccccc1O ZINC000040771257 620545266 /nfs/dbraw/zinc/54/52/66/620545266.db2.gz MTWVEIIIVOZDMY-MRXNPFEDSA-N 1 0 276.424 3.165 20 10 CGCDRO C[C@@H]([NH2+]C[C@]12CCC[C@H]1OCC2)c1ccccc1O ZINC000926919515 620547491 /nfs/dbraw/zinc/54/74/91/620547491.db2.gz OAWVUURULJZFHS-DAXOMENPSA-N 1 0 261.365 3.002 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@]2(C)CCCCO2)c1 ZINC000927015253 620561448 /nfs/dbraw/zinc/56/14/48/620561448.db2.gz ADIAFUVBLPEGKI-WBMJQRKESA-N 1 0 279.380 3.011 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@@]2(C)CCCCO2)c1O ZINC000927014911 620561458 /nfs/dbraw/zinc/56/14/58/620561458.db2.gz QNCSWQKTHGQUFT-BLLLJJGKSA-N 1 0 279.380 3.011 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@]2(C)CCCCO2)c1O ZINC000927014917 620561635 /nfs/dbraw/zinc/56/16/35/620561635.db2.gz QNCSWQKTHGQUFT-MLGOLLRUSA-N 1 0 279.380 3.011 20 10 CGCDRO CCC[C@H](O)CC[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000927016067 620561826 /nfs/dbraw/zinc/56/18/26/620561826.db2.gz HNSPRHRJSMWCPV-JQWIXIFHSA-N 1 0 271.788 3.247 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC000898516173 620595439 /nfs/dbraw/zinc/59/54/39/620595439.db2.gz NNWOETNWCKNQIR-GDBMZVCRSA-N 1 0 275.392 3.031 20 10 CGCDRO Oc1ccccc1C[NH2+]Cc1ccccc1Br ZINC000042419173 620853772 /nfs/dbraw/zinc/85/37/72/620853772.db2.gz OLXWIJDCYWPMPA-UHFFFAOYSA-N 1 0 292.176 3.445 20 10 CGCDRO C[C@H](NCC1([NH3+])CC1)c1ccc(N2CCCCCC2)cc1 ZINC000902417532 621309896 /nfs/dbraw/zinc/30/98/96/621309896.db2.gz SEUCULHVPQZANC-HNNXBMFYSA-N 1 0 287.451 3.209 20 10 CGCDRO C[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000902486611 621354289 /nfs/dbraw/zinc/35/42/89/621354289.db2.gz RCFNBWKWFJKPAL-CIUDSAMLSA-N 1 0 289.206 3.087 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CC2(C3(O)CCC3)CC2)c(O)c1C ZINC000903257907 621645425 /nfs/dbraw/zinc/64/54/25/621645425.db2.gz MVADQLGWELYGSE-AWEZNQCLSA-N 1 0 289.419 3.355 20 10 CGCDRO CO[C@@]1(C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)CCSC1 ZINC000903315459 621685993 /nfs/dbraw/zinc/68/59/93/621685993.db2.gz WFXLUOZGFNYGQN-XJKSGUPXSA-N 1 0 295.448 3.182 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]C[C@H]2CCCC(C)(C)O2)c1O ZINC000903355597 621713530 /nfs/dbraw/zinc/71/35/30/621713530.db2.gz IIRSWVJWXJKKJO-CHWSQXEVSA-N 1 0 293.407 3.399 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2ccc(CCO)cc2)c(O)c1 ZINC000903403294 621740843 /nfs/dbraw/zinc/74/08/43/621740843.db2.gz OXMTVMLYXJGLFQ-HNNXBMFYSA-N 1 0 299.414 3.395 20 10 CGCDRO COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccc(C)cc2O)C1 ZINC000903451196 621761563 /nfs/dbraw/zinc/76/15/63/621761563.db2.gz SFYWGZLGXBELAK-MCIONIFRSA-N 1 0 291.391 3.083 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC2(C(C)C)CC2)c1 ZINC000186099877 625514437 /nfs/dbraw/zinc/51/44/37/625514437.db2.gz DBEYXQASXASDOQ-LBPRGKRZSA-N 1 0 263.381 3.488 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC2(C(C)C)CC2)c1 ZINC000186099895 625515005 /nfs/dbraw/zinc/51/50/05/625515005.db2.gz DBEYXQASXASDOQ-GFCCVEGCSA-N 1 0 263.381 3.488 20 10 CGCDRO CCOc1ccc(O)c(C[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000768138526 625527722 /nfs/dbraw/zinc/52/77/22/625527722.db2.gz YCIPIZFQLMHNOL-STQMWFEESA-N 1 0 263.381 3.269 20 10 CGCDRO CCCN(CCC)c1ccc(CN[C@@H](C)[C@@H](C)[NH3+])cc1 ZINC000841082161 622275838 /nfs/dbraw/zinc/27/58/38/622275838.db2.gz WOUYBEQMKDLFGE-CABCVRRESA-N 1 0 277.456 3.138 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1CCCS1)c1cc(F)ccc1O ZINC000149668722 622365207 /nfs/dbraw/zinc/36/52/07/622365207.db2.gz AYHOLYRQNJQUPJ-ONGXEEELSA-N 1 0 255.358 3.078 20 10 CGCDRO CC[C@H](C)[C@H](O)C[NH2+][C@@H](C)c1ccc(N(C)CC)cc1 ZINC000163923486 622806205 /nfs/dbraw/zinc/80/62/05/622806205.db2.gz BBIMMYBVABLHDX-GRDNDAEWSA-N 1 0 278.440 3.200 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@H+](C)C[C@@H]2CCCCO2)c1 ZINC000164197994 622820884 /nfs/dbraw/zinc/82/08/84/622820884.db2.gz RXCKBGCTSDSDCE-HNNXBMFYSA-N 1 0 263.381 3.010 20 10 CGCDRO CCN(CC[NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(C)C ZINC000156586954 622826260 /nfs/dbraw/zinc/82/62/60/622826260.db2.gz UELDBYYAIHWEJV-HNNXBMFYSA-N 1 0 277.456 3.134 20 10 CGCDRO CCOC[C@@H]1CCC[N@H+](Cc2cc(C)cc(C)c2O)C1 ZINC000164332833 622828054 /nfs/dbraw/zinc/82/80/54/622828054.db2.gz QZIIDVAASJWJLH-OAHLLOKOSA-N 1 0 277.408 3.258 20 10 CGCDRO CS[C@H]1CC[C@@H]([NH2+]Cc2cccc(C)c2O)C1 ZINC000224879813 622889355 /nfs/dbraw/zinc/88/93/55/622889355.db2.gz OAMCRAVNDWRWMW-OLZOCXBDSA-N 1 0 251.395 3.074 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2cc(F)ccc2O)s1 ZINC000226585159 622986932 /nfs/dbraw/zinc/98/69/32/622986932.db2.gz JFHWBHFFPYUNRD-UHFFFAOYSA-N 1 0 251.326 3.191 20 10 CGCDRO CCC[NH+](CCC)Cc1ccc(N2CCOCC2)cc1 ZINC000158050148 622996235 /nfs/dbraw/zinc/99/62/35/622996235.db2.gz XTFOMEWHLCDFMC-UHFFFAOYSA-N 1 0 276.424 3.145 20 10 CGCDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)CCO1 ZINC000228084782 623040827 /nfs/dbraw/zinc/04/08/27/623040827.db2.gz HWTJBQKAJYFSMU-INIZCTEOSA-N 1 0 288.435 3.334 20 10 CGCDRO COc1cc(Cl)cc(C[N@@H+]2C[C@H](C)[C@H](C)C2)c1O ZINC000228667712 623070015 /nfs/dbraw/zinc/07/00/15/623070015.db2.gz YXPSBSSCDWYANZ-AOOOYVTPSA-N 1 0 269.772 3.142 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]CCC(F)(F)F)c1O ZINC000228675594 623071187 /nfs/dbraw/zinc/07/11/87/623071187.db2.gz OHLJKFYRSXRYRR-UHFFFAOYSA-N 1 0 283.677 3.096 20 10 CGCDRO CO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(C)cc2O)C1(C)C ZINC000230665857 623258102 /nfs/dbraw/zinc/25/81/02/623258102.db2.gz IMCSYSVDZIBPKS-NILFDRSVSA-N 1 0 263.381 3.165 20 10 CGCDRO C[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1[O-] ZINC000062745171 623264765 /nfs/dbraw/zinc/26/47/65/623264765.db2.gz QVMHVNTYGUGBJB-CQSZACIVSA-N 1 0 294.414 3.304 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](C)Cc2ccco2)cc1C ZINC000035254577 623422890 /nfs/dbraw/zinc/42/28/90/623422890.db2.gz ZQUNKBURYDOIHH-ZDUSSCGKSA-N 1 0 259.349 3.317 20 10 CGCDRO CCCC1(C[NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000151558921 623506027 /nfs/dbraw/zinc/50/60/27/623506027.db2.gz GBTMURZWVIJOSY-UHFFFAOYSA-N 1 0 288.435 3.193 20 10 CGCDRO COc1ccc(O)c(C[N@H+](C)CCc2ccc(F)cc2)c1 ZINC000179797087 624685393 /nfs/dbraw/zinc/68/53/93/624685393.db2.gz ASCQNFNZYYYHKD-UHFFFAOYSA-N 1 0 289.350 3.214 20 10 CGCDRO COc1ccc(O)c(C[NH+]2C[C@H]3CCCC[C@@H]3C2)c1 ZINC000180273869 624731472 /nfs/dbraw/zinc/73/14/72/624731472.db2.gz QYSPJENPPMJOGB-CHWSQXEVSA-N 1 0 261.365 3.023 20 10 CGCDRO Cc1cccc(C[NH2+]C(C)(C)c2nccs2)c1O ZINC000182213276 624956553 /nfs/dbraw/zinc/95/65/53/624956553.db2.gz UCWUUQHPKNVLAX-UHFFFAOYSA-N 1 0 262.378 3.182 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2ccc(N(C)C)cc2)cc1F ZINC000070160117 624965925 /nfs/dbraw/zinc/96/59/25/624965925.db2.gz JDPGJXSZIUCTNL-UHFFFAOYSA-N 1 0 272.367 3.490 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccncc2Cl)c1 ZINC000182435187 625001144 /nfs/dbraw/zinc/00/11/44/625001144.db2.gz LDEAEMQFKURJHN-JTQLQIEISA-N 1 0 292.766 3.300 20 10 CGCDRO CC[C@H]1CCCCN1CC[NH2+][C@@H](C)c1ccccc1O ZINC000183511541 625086393 /nfs/dbraw/zinc/08/63/93/625086393.db2.gz OCTKWDRVDRAHAL-GJZGRUSLSA-N 1 0 276.424 3.307 20 10 CGCDRO CC(C)CC[C@](C)(O)C[NH2+][C@H](C)c1ccccc1O ZINC000183526463 625089234 /nfs/dbraw/zinc/08/92/34/625089234.db2.gz PLUIMHPVWNZIHJ-CJNGLKHVSA-N 1 0 265.397 3.230 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]CCC(C)C)c1O ZINC000076274325 625209731 /nfs/dbraw/zinc/20/97/31/625209731.db2.gz HDAHFKBEPGKRSR-UHFFFAOYSA-N 1 0 257.761 3.190 20 10 CGCDRO C[C@H]([NH2+]CCN1CCCC1)c1cc2c(cc1O)CCCC2 ZINC000184882701 625279140 /nfs/dbraw/zinc/27/91/40/625279140.db2.gz LFUZDTOBXRNLLZ-AWEZNQCLSA-N 1 0 288.435 3.017 20 10 CGCDRO CC[C@H]1CCC[C@@H]([NH2+]Cc2cccc(OC)c2O)C1 ZINC000085064255 625792972 /nfs/dbraw/zinc/79/29/72/625792972.db2.gz VICKUMNWUZWDLK-GXTWGEPZSA-N 1 0 263.381 3.459 20 10 CGCDRO OCC[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1ccccc1 ZINC000921771805 625871497 /nfs/dbraw/zinc/87/14/97/625871497.db2.gz FIFUQRFJKSPYRW-GOSISDBHSA-N 1 0 297.398 3.225 20 10 CGCDRO CCO[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2cc(OC)ccc2O)C1 ZINC000922217086 625985187 /nfs/dbraw/zinc/98/51/87/625985187.db2.gz LUEDLXKBBXWLMJ-GZBFAFLISA-N 1 0 293.407 3.399 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(F)cn2)c(O)c1C ZINC000756657760 626163303 /nfs/dbraw/zinc/16/33/03/626163303.db2.gz FXOVPEIUDXCXLE-LBPRGKRZSA-N 1 0 274.339 3.394 20 10 CGCDRO CC[C@H](C)C[C@@H](CO)[NH2+][C@@H](CC)c1ccccc1O ZINC000842918921 626290096 /nfs/dbraw/zinc/29/00/96/626290096.db2.gz VIKGPHUQFKOLAI-YDHLFZDLSA-N 1 0 265.397 3.230 20 10 CGCDRO Nc1cc(C[N@H+](Cc2ccccc2O)C2CCCC2)ccn1 ZINC000839492035 626355763 /nfs/dbraw/zinc/35/57/63/626355763.db2.gz OYCBVWBSJRGLTI-UHFFFAOYSA-N 1 0 297.402 3.314 20 10 CGCDRO Oc1ccccc1C[N@H+](CCC1(O)CCC1)C1CCCC1 ZINC000839491834 626355891 /nfs/dbraw/zinc/35/58/91/626355891.db2.gz MVODGWDZVFMFBN-UHFFFAOYSA-N 1 0 289.419 3.442 20 10 CGCDRO Cc1csc([C@@H](C)[NH2+]Cc2cccc(C)c2O)n1 ZINC000124792273 634506910 /nfs/dbraw/zinc/50/69/10/634506910.db2.gz SDABCVZHOPBTEG-LLVKDONJSA-N 1 0 262.378 3.316 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H]2C2CC2)c1O ZINC000754727482 626584998 /nfs/dbraw/zinc/58/49/98/626584998.db2.gz YKOBUMUGVPELPE-CQSZACIVSA-N 1 0 261.365 3.084 20 10 CGCDRO CC[C@H](C)C[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000755986224 626665853 /nfs/dbraw/zinc/66/58/53/626665853.db2.gz SRLRZKNCRGUWSN-ZDUSSCGKSA-N 1 0 280.387 3.002 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CCS[C@@H](C)CC2)c(O)c1 ZINC000756145507 626680971 /nfs/dbraw/zinc/68/09/71/626680971.db2.gz AAXYOEAPUFBEMS-LBPRGKRZSA-N 1 0 281.421 3.118 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CCC2CCC2)cc1F ZINC000756148600 626681284 /nfs/dbraw/zinc/68/12/84/626681284.db2.gz HLCXOLTWSRQPRE-UHFFFAOYSA-N 1 0 250.361 3.172 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccco2)c2c1c(F)ccc2O ZINC000756344167 626694231 /nfs/dbraw/zinc/69/42/31/626694231.db2.gz RNJUWFPLGHIJFL-BXKDBHETSA-N 1 0 261.296 3.462 20 10 CGCDRO C[C@@H]([NH2+]C[C@H](O)c1ccco1)c1cc(Cl)ccc1O ZINC000756384719 626699234 /nfs/dbraw/zinc/69/92/34/626699234.db2.gz OFJJPMQTEMZKRC-RNCFNFMXSA-N 1 0 281.739 3.023 20 10 CGCDRO C[C@H]([NH2+]CC[C@H]1CCCO1)c1cc(Cl)ccc1O ZINC000756397998 626701411 /nfs/dbraw/zinc/70/14/11/626701411.db2.gz BDELCLBKNLMXTO-CMPLNLGQSA-N 1 0 269.772 3.265 20 10 CGCDRO CC(C)[C@@](C)(O)C[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756576273 626717712 /nfs/dbraw/zinc/71/77/12/626717712.db2.gz LWNIDSUTIKXKMT-SIVJFFJCSA-N 1 0 281.371 3.076 20 10 CGCDRO CCC[C@](C)(O)C[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000756579162 626717722 /nfs/dbraw/zinc/71/77/22/626717722.db2.gz ZIZDDWPXZLNLIJ-CJNGLKHVSA-N 1 0 265.397 3.211 20 10 CGCDRO CC[C@H](C)[C@](C)(O)C[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000756578600 626717748 /nfs/dbraw/zinc/71/77/48/626717748.db2.gz XBSPJAYOASIFFG-HEHGZKQESA-N 1 0 265.397 3.148 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[C@H](O)C2)c2c1c(F)ccc2O ZINC000756611584 626720450 /nfs/dbraw/zinc/72/04/50/626720450.db2.gz WNJLWYACMTZJIE-UHXUPSOCSA-N 1 0 293.382 3.220 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]CCN2CCC[C@H]2C)c2c1c(F)ccc2O ZINC000756616044 626720586 /nfs/dbraw/zinc/72/05/86/626720586.db2.gz HDIWPSSHMBWGFE-BZPMIXESSA-N 1 0 292.398 3.154 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1cc(F)cc(F)c1[O-] ZINC000756632836 626721782 /nfs/dbraw/zinc/72/17/82/626721782.db2.gz CWRWZRNGGQUYGT-CYZMBNFOSA-N 1 0 298.377 3.194 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1cc(F)cc(F)c1[O-] ZINC000756632843 626722273 /nfs/dbraw/zinc/72/22/73/626722273.db2.gz CWRWZRNGGQUYGT-UHTWSYAYSA-N 1 0 298.377 3.194 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)Cc2ccncc2)c1 ZINC000756636347 626722873 /nfs/dbraw/zinc/72/28/73/626722873.db2.gz WYOHRCOYGLJGBL-KBPBESRZSA-N 1 0 270.376 3.377 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]CCc2ccncc2)c2c1c(F)ccc2O ZINC000756660083 626725133 /nfs/dbraw/zinc/72/51/33/626725133.db2.gz RRXDVRONWLEGSP-BXUZGUMPSA-N 1 0 286.350 3.307 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H](CO)c2cccc(F)c2)c(O)c1 ZINC000756711487 626726906 /nfs/dbraw/zinc/72/69/06/626726906.db2.gz LKJJXVJQNZWMJZ-BLLLJJGKSA-N 1 0 289.350 3.224 20 10 CGCDRO CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H](C)c2cc(C)ccc2O)C1(C)C ZINC000756788128 626732637 /nfs/dbraw/zinc/73/26/37/626732637.db2.gz BDPQSCFNNXKKEP-GUYJKWIASA-N 1 0 277.408 3.411 20 10 CGCDRO CO[C@@H](C[NH2+][C@H](C)c1cc(Cl)ccc1O)C(F)(F)F ZINC000756836069 626736159 /nfs/dbraw/zinc/73/61/59/626736159.db2.gz SCVZXSCHKFEWAR-HQJQHLMTSA-N 1 0 297.704 3.274 20 10 CGCDRO COCC1([NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)CC1 ZINC000756849471 626737298 /nfs/dbraw/zinc/73/72/98/626737298.db2.gz BDZIWDRIUBZUBW-LBPRGKRZSA-N 1 0 275.392 3.101 20 10 CGCDRO CC[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000840823241 626760929 /nfs/dbraw/zinc/76/09/29/626760929.db2.gz YPTUNJIQOCJXDK-BHYNMZESSA-N 1 0 269.772 3.264 20 10 CGCDRO COC1([C@H](C)[NH2+]Cc2ccc(N3CCCC3)cc2)CCC1 ZINC000839658113 626770346 /nfs/dbraw/zinc/77/03/46/626770346.db2.gz AYKVXOAJELFYEU-HNNXBMFYSA-N 1 0 288.435 3.334 20 10 CGCDRO COC1(C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)CCC1 ZINC000757637958 626796488 /nfs/dbraw/zinc/79/64/88/626796488.db2.gz PKCBLUBTJYFFON-ZDUSSCGKSA-N 1 0 263.381 3.229 20 10 CGCDRO CC(C)OCC[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000757686996 626800731 /nfs/dbraw/zinc/80/07/31/626800731.db2.gz KYZMADKWDOGFAD-ZYHUDNBSSA-N 1 0 267.344 3.094 20 10 CGCDRO Oc1ccccc1C[NH2+]Cc1nc2ccc(F)cc2s1 ZINC000758333697 626837758 /nfs/dbraw/zinc/83/77/58/626837758.db2.gz ARNGLWCKUCBHFF-UHFFFAOYSA-N 1 0 288.347 3.431 20 10 CGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2C2CC2)c1O ZINC000761194243 627023729 /nfs/dbraw/zinc/02/37/29/627023729.db2.gz SBGFSDNDVUGZLG-CYBMUJFWSA-N 1 0 281.783 3.429 20 10 CGCDRO COc1cc(Cl)cc(C[N@H+](C)Cc2cccn2C)c1O ZINC000761202856 627024677 /nfs/dbraw/zinc/02/46/77/627024677.db2.gz PSYDGSAHSVNPMC-UHFFFAOYSA-N 1 0 294.782 3.025 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CCc3cccc(C)c3C2)c1 ZINC000763506332 627161497 /nfs/dbraw/zinc/16/14/97/627161497.db2.gz OCIXVZVHSMRHAE-UHFFFAOYSA-N 1 0 283.371 3.268 20 10 CGCDRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc3c(c1)CCO3)CC2 ZINC000765607312 627262223 /nfs/dbraw/zinc/26/22/23/627262223.db2.gz ACRMMTAOYDXVDW-SFHVURJKSA-N 1 0 295.382 3.407 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H](OC)C(C)C)cc1 ZINC000766366825 627323748 /nfs/dbraw/zinc/32/37/48/627323748.db2.gz PKPZDRYBPICCAO-WMLDXEAASA-N 1 0 278.440 3.464 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@H](C)CC(F)(F)F)c1 ZINC000766477404 627334991 /nfs/dbraw/zinc/33/49/91/627334991.db2.gz CGZOGBWFRGAKQV-SECBINFHSA-N 1 0 277.286 3.221 20 10 CGCDRO C[C@H](Cc1ccncc1)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000766491537 627337218 /nfs/dbraw/zinc/33/72/18/627337218.db2.gz WTYXPIRHNBZNHM-HUUCEWRRSA-N 1 0 283.419 3.429 20 10 CGCDRO CC[N@H+](C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768236898 627469828 /nfs/dbraw/zinc/46/98/28/627469828.db2.gz LJIIXGAFHMBACX-UHFFFAOYSA-N 1 0 277.368 3.037 20 10 CGCDRO CC(C)[C@H](C)[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000768269971 627471935 /nfs/dbraw/zinc/47/19/35/627471935.db2.gz SZUQTGILGWUHKJ-LBPRGKRZSA-N 1 0 252.377 3.368 20 10 CGCDRO CCC[C@H](C)[N@H+](C)Cc1ccc(OCC)cc1O ZINC000768337768 627473963 /nfs/dbraw/zinc/47/39/63/627473963.db2.gz GLXMYEVEVDHLFU-LBPRGKRZSA-N 1 0 251.370 3.411 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000768360669 627475657 /nfs/dbraw/zinc/47/56/57/627475657.db2.gz OAMFKNXBLXBCCM-OAHLLOKOSA-N 1 0 283.371 3.390 20 10 CGCDRO CCCC[N@H+](Cc1cc2c(cc1O)OC[C@H]2O)[C@@H](C)CC ZINC000768439075 627479798 /nfs/dbraw/zinc/47/97/98/627479798.db2.gz GNDQWMJXMPJTRB-BLLLJJGKSA-N 1 0 293.407 3.219 20 10 CGCDRO COc1cc(C[N@H+](C)[C@H](C)C(C)C)c(O)cc1C ZINC000768439855 627479959 /nfs/dbraw/zinc/47/99/59/627479959.db2.gz NWKBBQNNKSPCHG-GFCCVEGCSA-N 1 0 251.370 3.186 20 10 CGCDRO COc1cc(C[N@@H+]2CCC[C@H](C)CC2)c(O)cc1C ZINC000768446613 627480705 /nfs/dbraw/zinc/48/07/05/627480705.db2.gz ZDRQIAOYKUFXKL-LBPRGKRZSA-N 1 0 263.381 3.331 20 10 CGCDRO CCOc1ccc(O)c(C[N@H+](CCOC)C(CC)CC)c1 ZINC000768600894 627488426 /nfs/dbraw/zinc/48/84/26/627488426.db2.gz FYXVYHYBSXDBPL-UHFFFAOYSA-N 1 0 295.423 3.428 20 10 CGCDRO CC[C@@H](C)C[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000768767178 627497247 /nfs/dbraw/zinc/49/72/47/627497247.db2.gz MBDPSZVDSXTDED-GFCCVEGCSA-N 1 0 252.377 3.370 20 10 CGCDRO CCOc1ccc(C[NH2+][C@@H](C)CCC2CC2)c(O)c1 ZINC000768953287 627511418 /nfs/dbraw/zinc/51/14/18/627511418.db2.gz PQAVWQWCYCACEY-LBPRGKRZSA-N 1 0 263.381 3.459 20 10 CGCDRO CCCN(CCC)c1ccc(C[N@@H+]2CCC[C@H]2CO)cc1 ZINC000769073616 627520831 /nfs/dbraw/zinc/52/08/31/627520831.db2.gz JISBYIBKBJTSBM-SFHVURJKSA-N 1 0 290.451 3.270 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC000769103318 627522517 /nfs/dbraw/zinc/52/25/17/627522517.db2.gz VOFGYHDYWVFIND-TZMCWYRMSA-N 1 0 261.365 3.165 20 10 CGCDRO CN(C)c1ccc(CN2CCC[N@@H+](C(C)(C)C)CC2)cc1 ZINC000769189946 627530263 /nfs/dbraw/zinc/53/02/63/627530263.db2.gz YVGDHCBTEWVTCA-UHFFFAOYSA-N 1 0 289.467 3.059 20 10 CGCDRO CCOc1ccc(C[N@H+](C)C(C2CC2)C2CC2)c(O)c1 ZINC000769192708 627530591 /nfs/dbraw/zinc/53/05/91/627530591.db2.gz VTUBDWLCIGXXIW-UHFFFAOYSA-N 1 0 275.392 3.411 20 10 CGCDRO CCN(CC)c1ccc(CN2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000769302712 627538183 /nfs/dbraw/zinc/53/81/83/627538183.db2.gz WPXGKOMNSSOVDN-GOSISDBHSA-N 1 0 289.467 3.059 20 10 CGCDRO CN(C)c1ccc(C[NH+]2CCC(C(F)F)CC2)cc1F ZINC000769446372 627552578 /nfs/dbraw/zinc/55/25/78/627552578.db2.gz MNLYDWWJARYPOH-UHFFFAOYSA-N 1 0 286.341 3.369 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@@H](C)C[C@@H]2CC)c1 ZINC000769447740 627553389 /nfs/dbraw/zinc/55/33/89/627553389.db2.gz KHVRSLAIPMZRAS-JSGCOSHPSA-N 1 0 263.381 3.411 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](C)[C@H](C)C2)c1 ZINC000769451555 627554268 /nfs/dbraw/zinc/55/42/68/627554268.db2.gz MXTYEQGCNISLNE-QWHCGFSZSA-N 1 0 263.381 3.269 20 10 CGCDRO CC(C)OCCC[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000769463251 627555584 /nfs/dbraw/zinc/55/55/84/627555584.db2.gz OYTXPVJOTNJLHJ-UHFFFAOYSA-N 1 0 282.403 3.139 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CCCc2sccc2C1 ZINC000770511039 627624521 /nfs/dbraw/zinc/62/45/21/627624521.db2.gz WOAQNMKIGAXPDH-UHFFFAOYSA-N 1 0 259.374 3.402 20 10 CGCDRO C[C@H]([NH2+]C1CCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000772962040 627834948 /nfs/dbraw/zinc/83/49/48/627834948.db2.gz XXWGMRJVSWDEQE-LBPRGKRZSA-N 1 0 294.826 3.380 20 10 CGCDRO CC[C@@H]([NH2+][C@H]1CC[C@H](O)CC1)c1ccc(N(C)C)cc1 ZINC000773102352 627856546 /nfs/dbraw/zinc/85/65/46/627856546.db2.gz LPNWUYHKUHUHJI-DJIMGWMZSA-N 1 0 276.424 3.097 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H]2CSC)cc1 ZINC000773765963 627913773 /nfs/dbraw/zinc/91/37/73/627913773.db2.gz PGCFYXNMWWWPMO-MRXNPFEDSA-N 1 0 278.465 3.470 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCOC3(CCCC3)C2)cc1 ZINC000773766703 627913997 /nfs/dbraw/zinc/91/39/97/627913997.db2.gz ULSKKSGRZLHDAL-UHFFFAOYSA-N 1 0 288.435 3.288 20 10 CGCDRO C[C@H]([NH2+]CCN1CCCC(C)(C)C1)c1cc(F)ccc1O ZINC000774486863 627997896 /nfs/dbraw/zinc/99/78/96/627997896.db2.gz IOCKTWDZEPUEPK-ZDUSSCGKSA-N 1 0 294.414 3.304 20 10 CGCDRO CCCN(Cc1cccc2c1OCO2)c1ccc(C[NH3+])cc1 ZINC000775140979 628067230 /nfs/dbraw/zinc/06/72/30/628067230.db2.gz RZQNKVCCGQWFRO-UHFFFAOYSA-N 1 0 298.386 3.291 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)c1 ZINC000775136910 628067305 /nfs/dbraw/zinc/06/73/05/628067305.db2.gz ORYGIQMVFIARME-NSHDSACASA-N 1 0 273.298 3.475 20 10 CGCDRO CCC[C@@]1(COC)CCC[N@@H+]1Cc1cccc(C)c1O ZINC000775201157 628071790 /nfs/dbraw/zinc/07/17/90/628071790.db2.gz CDTFGTCTBTUAFZ-KRWDZBQOSA-N 1 0 277.408 3.482 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C[C@@H]2C(C)=CCC[C@@H]2C)c1 ZINC000775306231 628080280 /nfs/dbraw/zinc/08/02/80/628080280.db2.gz UADLHPXOYAHUSU-XJKSGUPXSA-N 1 0 275.392 3.483 20 10 CGCDRO CC[C@H]([NH2+]CCCOC)c1cc(Cl)ccc1O ZINC000775482956 628098880 /nfs/dbraw/zinc/09/88/80/628098880.db2.gz JGYMCMCRUUDFQT-LBPRGKRZSA-N 1 0 257.761 3.123 20 10 CGCDRO CC[C@@H]([NH2+][C@H](CO)c1ccccc1C)c1ccccc1O ZINC000775514074 628102642 /nfs/dbraw/zinc/10/26/42/628102642.db2.gz VFQGORLVDGSRLJ-IAGOWNOFSA-N 1 0 285.387 3.475 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](CO)c1ccsc1)c1ccccc1O ZINC000775553335 628105448 /nfs/dbraw/zinc/10/54/48/628105448.db2.gz ASGJHSDUCYYRLD-KGLIPLIRSA-N 1 0 277.389 3.228 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)C[C@H](C)O)c1cc(Cl)ccc1O ZINC000775552224 628105850 /nfs/dbraw/zinc/10/58/50/628105850.db2.gz SZNCUTKSGAMUNJ-KWBADKCTSA-N 1 0 271.788 3.246 20 10 CGCDRO Cc1cccc(C[N@H+]2CCN(C)c3ccccc3C2)c1O ZINC000775676051 628124057 /nfs/dbraw/zinc/12/40/57/628124057.db2.gz JTZMYCZOWYMXAM-UHFFFAOYSA-N 1 0 282.387 3.153 20 10 CGCDRO Cc1cccc(C[N@H+]2CCN(C)CC23CCCCC3)c1O ZINC000775734993 628129981 /nfs/dbraw/zinc/12/99/81/628129981.db2.gz FSHFADBJONGOLI-UHFFFAOYSA-N 1 0 288.435 3.151 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H](C)Cc2cccc(O)c2)cc1C ZINC000776174583 628176122 /nfs/dbraw/zinc/17/61/22/628176122.db2.gz OJWPBHSERMGLNG-AWEZNQCLSA-N 1 0 285.387 3.435 20 10 CGCDRO Cc1cccc(C[NH2+]Cc2c(C)cccc2F)c1O ZINC000776218772 628181651 /nfs/dbraw/zinc/18/16/51/628181651.db2.gz BQTUFRCHFJNSAQ-UHFFFAOYSA-N 1 0 259.324 3.438 20 10 CGCDRO Cc1ccccc1OCC[N@@H+](C)Cc1cc(F)ccc1O ZINC000778995336 628382216 /nfs/dbraw/zinc/38/22/16/628382216.db2.gz VGJVINOROWTZHQ-UHFFFAOYSA-N 1 0 289.350 3.351 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CC[C@H]1Cc1ccccc1 ZINC000779023648 628384201 /nfs/dbraw/zinc/38/42/01/628384201.db2.gz VKJFKGIFACBMRV-INIZCTEOSA-N 1 0 253.345 3.209 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+][C@H](c1cccnc1)C1CC1 ZINC000779102537 628388934 /nfs/dbraw/zinc/38/89/34/628388934.db2.gz SAUMLSUZYWHOKY-INIZCTEOSA-N 1 0 272.323 3.167 20 10 CGCDRO CC[C@@H]1C[C@@H](C[N@H+](C)Cc2ccccc2O)CCO1 ZINC000780756081 628514390 /nfs/dbraw/zinc/51/43/90/628514390.db2.gz BHEXRVNCFNTFKZ-DZGCQCFKSA-N 1 0 263.381 3.029 20 10 CGCDRO C[C@@H]1CC[C@]2(CC[N@H+](Cc3cc4c(cc3O)OCO4)C2)C1 ZINC000781586250 628576196 /nfs/dbraw/zinc/57/61/96/628576196.db2.gz KIOBZQZLUUOAFE-PXAZEXFGSA-N 1 0 289.375 3.133 20 10 CGCDRO CC(C)c1cc(C[NH2+][C@@H](C)c2ccccc2O)on1 ZINC000783510651 628719474 /nfs/dbraw/zinc/71/94/74/628719474.db2.gz QKUIWGFEGUUUTK-NSHDSACASA-N 1 0 260.337 3.354 20 10 CGCDRO C[C@H](C[C@H](C)O)[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000783535594 628723118 /nfs/dbraw/zinc/72/31/18/628723118.db2.gz HSOXHNVTKRHKDP-PMPSAXMXSA-N 1 0 290.451 3.487 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCc3ncsc3C2)c1 ZINC000783547610 628723660 /nfs/dbraw/zinc/72/36/60/628723660.db2.gz SNMLITHYQJJMFX-UHFFFAOYSA-N 1 0 274.389 3.024 20 10 CGCDRO c1ccc2c(c1)CC[C@H]([NH2+]Cc1ccc3c(c1)CCO3)CO2 ZINC000786820390 628965054 /nfs/dbraw/zinc/96/50/54/628965054.db2.gz FWIIXZXFLNBDHJ-KRWDZBQOSA-N 1 0 295.382 3.105 20 10 CGCDRO CO[C@H](CC[NH2+]Cc1cc(Cl)ccc1O)C(F)(F)F ZINC000786822809 628965067 /nfs/dbraw/zinc/96/50/67/628965067.db2.gz CWMRZBSUFLTPQE-LLVKDONJSA-N 1 0 297.704 3.103 20 10 CGCDRO CN(C)c1ccc(C[N@H+](CC[C@@H]2CCCO2)C2CC2)cc1 ZINC000787184441 628999394 /nfs/dbraw/zinc/99/93/94/628999394.db2.gz POZKPVRYFHBCRV-SFHVURJKSA-N 1 0 288.435 3.286 20 10 CGCDRO COc1cc(O)c(C[NH2+]Cc2cscc2C)cc1OC ZINC000787294082 629008093 /nfs/dbraw/zinc/00/80/93/629008093.db2.gz FSSUDNBALBEQBA-UHFFFAOYSA-N 1 0 293.388 3.069 20 10 CGCDRO C[N@@H+](Cc1ccccc1O)C[C@@H]1CCC2(CCCC2)O1 ZINC000788494678 629059693 /nfs/dbraw/zinc/05/96/93/629059693.db2.gz REICYSXYLQFXNO-HNNXBMFYSA-N 1 0 275.392 3.316 20 10 CGCDRO CC(C)[C@@H]([NH2+]Cc1ccccc1O)[C@@H](O)c1ccccc1 ZINC000788541899 629063573 /nfs/dbraw/zinc/06/35/73/629063573.db2.gz YTNFQIOTVCXUEJ-MSOLQXFVSA-N 1 0 285.387 3.240 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@@]3(C2)CCCOC3)c1 ZINC000789566946 629145104 /nfs/dbraw/zinc/14/51/04/629145104.db2.gz OZTJOJHOROOKAC-QGZVFWFLSA-N 1 0 275.392 3.012 20 10 CGCDRO CN(C)c1cc[nH+]c(NCc2c(O)ccc(Cl)c2F)c1 ZINC000790241492 629196664 /nfs/dbraw/zinc/19/66/64/629196664.db2.gz VNQLQTSXQVBBDA-UHFFFAOYSA-N 1 0 295.745 3.258 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C(C)C)C(C)(C)O)c1ccccc1O ZINC000790701971 629225574 /nfs/dbraw/zinc/22/55/74/629225574.db2.gz ORGFJMSQLZTJHG-ZFWWWQNUSA-N 1 0 265.397 3.228 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@]2(CC)CCOC2)cc1F ZINC000791002932 629248931 /nfs/dbraw/zinc/24/89/31/629248931.db2.gz BUAKAKIOZDTYJY-QGZVFWFLSA-N 1 0 294.414 3.331 20 10 CGCDRO CO[C@@H]1CC[N@H+](Cc2cc(F)c(N(C)C)cc2F)[C@H](C)C1 ZINC000862353848 629347343 /nfs/dbraw/zinc/34/73/43/629347343.db2.gz CAGIPUNHJGFAST-DGCLKSJQSA-N 1 0 298.377 3.030 20 10 CGCDRO Cc1ccc(C(C)(C)C[NH2+]Cc2cc(F)ccc2O)nc1 ZINC000862481572 629385381 /nfs/dbraw/zinc/38/53/81/629385381.db2.gz YENGPZKLFMJXKS-UHFFFAOYSA-N 1 0 288.366 3.302 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@@H]2CCN2C2CCCC2)c1O ZINC000862522765 629390594 /nfs/dbraw/zinc/39/05/94/629390594.db2.gz GILBMNKBEFTODC-KRWDZBQOSA-N 1 0 288.435 3.061 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)c1ccns1 ZINC000862538685 629394455 /nfs/dbraw/zinc/39/44/55/629394455.db2.gz CNVPGQDIBNCVMX-GFCCVEGCSA-N 1 0 275.421 3.368 20 10 CGCDRO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccccc1O ZINC000793232608 629433220 /nfs/dbraw/zinc/43/32/20/629433220.db2.gz ZKWOMNIINIZXDQ-MWLCHTKSSA-N 1 0 259.271 3.165 20 10 CGCDRO COCCC1([NH2+]Cc2cc(C)c(C)cc2O)CCC1 ZINC000793328776 629444266 /nfs/dbraw/zinc/44/42/66/629444266.db2.gz FKPCKCJSDGPHJO-UHFFFAOYSA-N 1 0 263.381 3.058 20 10 CGCDRO Cc1ccc(O)c(C[N@H+](C)Cc2cnccc2C)c1 ZINC000793336379 629445163 /nfs/dbraw/zinc/44/51/63/629445163.db2.gz KHWKQXQGOBTACI-UHFFFAOYSA-N 1 0 256.349 3.036 20 10 CGCDRO CCOc1ccc(C[NH2+]C[C@H]2CC[C@H](C)C2)c(O)c1 ZINC000793347255 629445702 /nfs/dbraw/zinc/44/57/02/629445702.db2.gz RFWQFMBPTWRFBC-STQMWFEESA-N 1 0 263.381 3.317 20 10 CGCDRO C[N@H+](Cc1cc2c(cc1O)OCO2)[C@H]1CCC(C)(C)C1 ZINC000793352750 629446702 /nfs/dbraw/zinc/44/67/02/629446702.db2.gz NFESZUAOSKOOQF-LBPRGKRZSA-N 1 0 277.364 3.131 20 10 CGCDRO Cc1cc(O)c(C[NH+]2CCC(F)(F)CC2)cc1C ZINC000793360471 629447716 /nfs/dbraw/zinc/44/77/16/629447716.db2.gz WATMJRFWYOACMM-UHFFFAOYSA-N 1 0 255.308 3.240 20 10 CGCDRO COc1ccc(C[NH2+]Cc2cnc(Cl)c(C)c2)c(O)c1 ZINC000793387492 629453114 /nfs/dbraw/zinc/45/31/14/629453114.db2.gz FOAMLBFCOPRHLW-UHFFFAOYSA-N 1 0 292.766 3.047 20 10 CGCDRO CC[C@@H]1CC[N@@H+]1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000793819664 629503765 /nfs/dbraw/zinc/50/37/65/629503765.db2.gz JAADARFTQNJJOO-CYBMUJFWSA-N 1 0 263.381 3.380 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H]1CCCN1CC)c1ccc(C)cc1O ZINC000794796577 629578458 /nfs/dbraw/zinc/57/84/58/629578458.db2.gz VJZVLOUHXXUUJY-GDBMZVCRSA-N 1 0 276.424 3.226 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@H+]2C[C@H](N3CCCC3)C[C@H]2C)c1 ZINC000795705959 629710558 /nfs/dbraw/zinc/71/05/58/629710558.db2.gz JQVSRQRFADCZHS-NVXWUHKLSA-N 1 0 288.435 3.068 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CCC(C)=C(C)C2)c(O)c1 ZINC000796019175 629736335 /nfs/dbraw/zinc/73/63/35/629736335.db2.gz YUVBRJXLQSVDTO-UHFFFAOYSA-N 1 0 261.365 3.333 20 10 CGCDRO CCc1ccc([C@@H](O)C[NH2+]Cc2cc(C)c(C)cc2O)cc1 ZINC000796451975 629783010 /nfs/dbraw/zinc/78/30/10/629783010.db2.gz QZPZBFRLOJFUIM-IBGZPJMESA-N 1 0 299.414 3.395 20 10 CGCDRO CC(C)[C@H]1CC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000796700006 629816751 /nfs/dbraw/zinc/81/67/51/629816751.db2.gz CCSOZKPFNPMZLQ-MSOLQXFVSA-N 1 0 288.435 3.047 20 10 CGCDRO Cc1ccc([C@H](O)[C@@H](C)[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000797056327 629878988 /nfs/dbraw/zinc/87/89/88/629878988.db2.gz BJNZODSOEWODHJ-HBUWYVDXSA-N 1 0 285.387 3.473 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCc3ccccc3OC2)cc1C ZINC000800890128 630309231 /nfs/dbraw/zinc/30/92/31/630309231.db2.gz GFHYNMHQAZNLGH-QGZVFWFLSA-N 1 0 297.398 3.492 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCC[C@H]3C[C@H]32)cc1F ZINC000800890185 630309366 /nfs/dbraw/zinc/30/93/66/630309366.db2.gz JBJZZYRDEQTNIZ-GUTXKFCHSA-N 1 0 262.372 3.170 20 10 CGCDRO Cn1nccc1CC[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000801919348 630366508 /nfs/dbraw/zinc/36/65/08/630366508.db2.gz DJAQLRKNZIMDIG-UHFFFAOYSA-N 1 0 299.418 3.113 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H](CO)C(C)C)c1cc(Cl)ccc1O ZINC000806170238 630553166 /nfs/dbraw/zinc/55/31/66/630553166.db2.gz XWVQCKAGGDOISB-BXUZGUMPSA-N 1 0 285.815 3.351 20 10 CGCDRO CCCCN(C)C[C@H](C)[NH2+]Cc1cc(OCC)ccc1O ZINC000808454289 630646950 /nfs/dbraw/zinc/64/69/50/630646950.db2.gz HRODFLCLJUKURR-AWEZNQCLSA-N 1 0 294.439 3.001 20 10 CGCDRO COC[C@@H](C)C[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808679976 630663624 /nfs/dbraw/zinc/66/36/24/630663624.db2.gz AJMKTJXCXPVRBT-GXSJLCMTSA-N 1 0 271.788 3.287 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H]2CCCN2C)c1O ZINC000808680560 630663958 /nfs/dbraw/zinc/66/39/58/630663958.db2.gz LNTWJCVDBFIXET-WCQYABFASA-N 1 0 282.815 3.099 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](O)C(C)C)c1O ZINC000808695406 630665689 /nfs/dbraw/zinc/66/56/89/630665689.db2.gz HFPJDKBXAHQKKE-GWCFXTLKSA-N 1 0 271.788 3.022 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](CO)CC2CC2)c1O ZINC000808709487 630668237 /nfs/dbraw/zinc/66/82/37/630668237.db2.gz WSTBDKZJKIRSGA-ZWNOBZJWSA-N 1 0 283.799 3.166 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](CO)C(C)C)c1O ZINC000808718422 630670721 /nfs/dbraw/zinc/67/07/21/630670721.db2.gz OASJCBWLURBEEW-RYUDHWBXSA-N 1 0 285.815 3.269 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C[C@@H](C)CC(C)C)c1 ZINC000809620355 630764889 /nfs/dbraw/zinc/76/48/89/630764889.db2.gz QDRWDNOOJFEMOO-LBPRGKRZSA-N 1 0 251.370 3.173 20 10 CGCDRO COc1cccc(C[NH2+][C@@H]2CC[C@@H]2C2CCC2)c1O ZINC000809740429 630796058 /nfs/dbraw/zinc/79/60/58/630796058.db2.gz YNGIJFFUWMUMKH-ZIAGYGMSSA-N 1 0 261.365 3.069 20 10 CGCDRO COc1cccc(C[NH2+]Cc2cc(Cl)ccc2O)c1O ZINC000809739938 630796625 /nfs/dbraw/zinc/79/66/25/630796625.db2.gz GZWVXYGKXWYLKK-UHFFFAOYSA-N 1 0 293.750 3.050 20 10 CGCDRO CC[C@H](CO)[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1O ZINC000810208526 630853704 /nfs/dbraw/zinc/85/37/04/630853704.db2.gz WJGWJLRDQFEYAT-PWSUYJOCSA-N 1 0 291.313 3.223 20 10 CGCDRO CCOCC[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1O ZINC000810211332 630854584 /nfs/dbraw/zinc/85/45/84/630854584.db2.gz PRIGPAGLKDZAIJ-LBPRGKRZSA-N 1 0 291.313 3.488 20 10 CGCDRO COc1cccc(C[NH2+]C[C@H]2CC(C)=C[C@@H](C)C2)c1O ZINC000811507016 631077516 /nfs/dbraw/zinc/07/75/16/631077516.db2.gz NYTOTIJNMBXHDQ-TZMCWYRMSA-N 1 0 275.392 3.483 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CC2(CCC2)[C@H]1C1CC1 ZINC000811513468 631080054 /nfs/dbraw/zinc/08/00/54/631080054.db2.gz IPBPRFHVUWYAKN-MRXNPFEDSA-N 1 0 273.376 3.165 20 10 CGCDRO Oc1ccccc1C[NH+]1CC(c2ccccc2F)C1 ZINC000812791332 631310352 /nfs/dbraw/zinc/31/03/52/631310352.db2.gz SEDLVNSGZKYGAF-UHFFFAOYSA-N 1 0 257.308 3.131 20 10 CGCDRO COCC1(C[N@H+](C)Cc2ccc(N(C)C)cc2)CCC1 ZINC000812822605 631320129 /nfs/dbraw/zinc/32/01/29/631320129.db2.gz AXYYALKTOVSDJW-UHFFFAOYSA-N 1 0 276.424 3.001 20 10 CGCDRO CCc1cc(C[N@@H+]2CCO[C@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000813170604 631377098 /nfs/dbraw/zinc/37/70/98/631377098.db2.gz IURQCJQOOJDSQX-CYBMUJFWSA-N 1 0 291.435 3.473 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cnn(C(C)C)c2)c1 ZINC000813330707 631409895 /nfs/dbraw/zinc/40/98/95/631409895.db2.gz DRKNQPMDJODPAO-LBPRGKRZSA-N 1 0 289.379 3.029 20 10 CGCDRO CCC[C@H](C)C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000813330969 631410681 /nfs/dbraw/zinc/41/06/81/631410681.db2.gz KKJIDCYEOKOCCL-NWDGAFQWSA-N 1 0 251.370 3.488 20 10 CGCDRO C[C@H]([NH2+][C@@H]1C[C@@H](C)[C@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000813854919 631470561 /nfs/dbraw/zinc/47/05/61/631470561.db2.gz ICJOHOQCSVUQNT-ZXFNITATSA-N 1 0 288.435 3.218 20 10 CGCDRO CC(C)[C@H](O)C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000814627571 631613103 /nfs/dbraw/zinc/61/31/03/631613103.db2.gz MHUPHVJSMJNDBQ-QGZVFWFLSA-N 1 0 289.375 3.004 20 10 CGCDRO Cc1cc(C[NH+]2C[C@H](C)S[C@@H](C)C2)ccc1N(C)C ZINC000815054422 631707400 /nfs/dbraw/zinc/70/74/00/631707400.db2.gz KUAIOFQFDWHYFS-KBPBESRZSA-N 1 0 278.465 3.387 20 10 CGCDRO CO[C@@]1(C)CCC[N@H+](Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000815105563 631717261 /nfs/dbraw/zinc/71/72/61/631717261.db2.gz GYUGJFDIXPJYNX-SFHVURJKSA-N 1 0 290.451 3.452 20 10 CGCDRO Cc1cc(C[N@@H+](C(C)C)[C@@H]2CCOC2)ccc1N(C)C ZINC000815119242 631721729 /nfs/dbraw/zinc/72/17/29/631721729.db2.gz RGEURVPXORLBDY-MRXNPFEDSA-N 1 0 276.424 3.060 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2cscn2)c(O)c1 ZINC000815571780 631796563 /nfs/dbraw/zinc/79/65/63/631796563.db2.gz LZTWMVWYEIKNKQ-NSHDSACASA-N 1 0 262.378 3.316 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cc[nH]c(=O)c2)c(O)c1 ZINC000815642950 631811384 /nfs/dbraw/zinc/81/13/84/631811384.db2.gz PFYFPCYAIGIPED-VXGBXAGGSA-N 1 0 272.348 3.213 20 10 CGCDRO CO[C@H](C[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F)C1CC1 ZINC000815651412 631812782 /nfs/dbraw/zinc/81/27/82/631812782.db2.gz SFEZWSVQBXLHNM-DUFXMDAXSA-N 1 0 279.355 3.094 20 10 CGCDRO CC(C)(C)C[C@H](O)C[NH2+]Cc1ccc2ccccc2c1O ZINC000816551117 632009171 /nfs/dbraw/zinc/00/91/71/632009171.db2.gz PMFJBMRTPXYXTO-HNNXBMFYSA-N 1 0 287.403 3.432 20 10 CGCDRO C[N@H+](CCc1cnccn1)Cc1ccc2ccccc2c1O ZINC000816565607 632014427 /nfs/dbraw/zinc/01/44/27/632014427.db2.gz VJXVUPNEAIBNFK-UHFFFAOYSA-N 1 0 293.370 3.010 20 10 CGCDRO CO[C@](C)(C[NH2+]Cc1ccc2ccccc2c1O)C1CC1 ZINC000816616002 632025497 /nfs/dbraw/zinc/02/54/97/632025497.db2.gz LZKHPKHSGWNEQY-GOSISDBHSA-N 1 0 285.387 3.450 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]C[C@@H]1CC12CCSCC2 ZINC000817409381 632141535 /nfs/dbraw/zinc/14/15/35/632141535.db2.gz AWUQLNMHABNZFA-LBPRGKRZSA-N 1 0 281.396 3.154 20 10 CGCDRO Cc1cc(C[NH2+]Cc2c(O)cccc2Cl)cc(C)n1 ZINC000817410074 632141599 /nfs/dbraw/zinc/14/15/99/632141599.db2.gz IXYLERWTCXQHFQ-UHFFFAOYSA-N 1 0 276.767 3.347 20 10 CGCDRO CC[C@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2O)CCO1 ZINC000817414961 632145697 /nfs/dbraw/zinc/14/56/97/632145697.db2.gz NIVLLRVEVZIPIF-OLZOCXBDSA-N 1 0 269.772 3.093 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+](C)C2CC(OC(C)(C)C)C2)c1 ZINC000817415984 632146520 /nfs/dbraw/zinc/14/65/20/632146520.db2.gz FVQYPNCTTDEDLV-UHFFFAOYSA-N 1 0 277.408 3.479 20 10 CGCDRO CC[C@@H]1C[C@@H]([NH2+][C@H](C)c2cc(F)ccc2O)CCO1 ZINC000817584943 632190449 /nfs/dbraw/zinc/19/04/49/632190449.db2.gz BFQAJKYYEKOLGI-KGYLQXTDSA-N 1 0 267.344 3.140 20 10 CGCDRO C[C@H](CC(C)(C)C)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000817944345 632241757 /nfs/dbraw/zinc/24/17/57/632241757.db2.gz ZNKRETLNRKZPRW-CZUORRHYSA-N 1 0 277.456 3.167 20 10 CGCDRO Cc1ccccc1[C@@H](C)[NH2+]CCc1ccc(N)cc1 ZINC000817955866 632251043 /nfs/dbraw/zinc/25/10/43/632251043.db2.gz JPPLLIWODVQUIR-CQSZACIVSA-N 1 0 254.377 3.471 20 10 CGCDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)c1ccccc1F ZINC000817955994 632251335 /nfs/dbraw/zinc/25/13/35/632251335.db2.gz NDXFHQDSLDVCKA-GFCCVEGCSA-N 1 0 258.340 3.301 20 10 CGCDRO CC[C@H]([NH2+][C@H](CN)CC(C)C)c1ccc(C)cc1O ZINC000817959773 632254907 /nfs/dbraw/zinc/25/49/07/632254907.db2.gz UVVNLDZKFOUWQL-ZFWWWQNUSA-N 1 0 264.413 3.115 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1ccc(F)cc1[O-] ZINC000817961397 632257774 /nfs/dbraw/zinc/25/77/74/632257774.db2.gz XZATWMAVJQJPKM-UGFHNGPFSA-N 1 0 280.387 3.090 20 10 CGCDRO CCCC[C@H](CN)[NH2+][C@H](CC)c1ccc(C)cc1O ZINC000817963067 632258728 /nfs/dbraw/zinc/25/87/28/632258728.db2.gz ROSXTMPNIWNYFJ-UKRRQHHQSA-N 1 0 264.413 3.259 20 10 CGCDRO CC[NH2+][C@H](C)CN[C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000817973271 632265795 /nfs/dbraw/zinc/26/57/95/632265795.db2.gz SCLUNPNVADAQDH-RKDXNWHRSA-N 1 0 291.222 3.348 20 10 CGCDRO CC[C@@H]([NH3+])C[NH2+][C@H](CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000817979563 632270251 /nfs/dbraw/zinc/27/02/51/632270251.db2.gz LWTVXWAKNVBQKD-BXKDBHETSA-N 1 0 291.222 3.477 20 10 CGCDRO CC[C@@H]([NH2+][C@H](CN)C1CCCC1)c1ccc(C)cc1O ZINC000817981408 632271151 /nfs/dbraw/zinc/27/11/51/632271151.db2.gz JAIHIJQRSXCSGN-HZPDHXFCSA-N 1 0 276.424 3.259 20 10 CGCDRO CS[C@H]1CC[C@H]1[NH2+]CCCSc1nccs1 ZINC000822464401 632934741 /nfs/dbraw/zinc/93/47/41/632934741.db2.gz PMYYRSBFHCNVGY-ZJUUUORDSA-N 1 0 274.480 3.109 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]CC[C@@H]2CCSC2)c1O ZINC000866405161 633125443 /nfs/dbraw/zinc/12/54/43/633125443.db2.gz YDSXJRYOOCBDFF-VXGBXAGGSA-N 1 0 281.421 3.195 20 10 CGCDRO CCC[C@@H](CCO)[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000866415174 633127170 /nfs/dbraw/zinc/12/71/70/633127170.db2.gz QRIMTKQFNMHECG-KGLIPLIRSA-N 1 0 265.397 3.211 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CC[C@@H](O)C(F)F)c1O ZINC000866443220 633133728 /nfs/dbraw/zinc/13/37/28/633133728.db2.gz YPUIXAVHYITSAI-GZMMTYOYSA-N 1 0 293.741 3.021 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCC[C@@H]2F)c1 ZINC000866450165 633139381 /nfs/dbraw/zinc/13/93/81/633139381.db2.gz ONTDKMIBVJLGFA-DDTOSNHZSA-N 1 0 267.344 3.332 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000866500983 633162161 /nfs/dbraw/zinc/16/21/61/633162161.db2.gz WWLBNXQYSDMRGN-OASPWFOLSA-N 1 0 272.314 3.354 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H]2C[C@H](C)CC[C@H]2C)c1 ZINC000823871639 633163039 /nfs/dbraw/zinc/16/30/39/633163039.db2.gz KXEQZRUDHZLITJ-LALPHHSUSA-N 1 0 263.381 3.315 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1c2ccccc2CN1C)c1ccccc1O ZINC000866561856 633191807 /nfs/dbraw/zinc/19/18/07/633191807.db2.gz AFCDSQHDNPIAFA-CXAGYDPISA-N 1 0 282.387 3.230 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2nn(C)cc2C(F)F)c(O)c1 ZINC000866564833 633197628 /nfs/dbraw/zinc/19/76/28/633197628.db2.gz CQIDGVIZOYYCCH-SNVBAGLBSA-N 1 0 295.333 3.223 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCCn2nccc21)c1cc(Cl)ccc1O ZINC000866634772 633223624 /nfs/dbraw/zinc/22/36/24/633223624.db2.gz ULEDKCQDHXGARO-GWCFXTLKSA-N 1 0 291.782 3.428 20 10 CGCDRO COC[C@@]1(C)CC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000824583189 633262446 /nfs/dbraw/zinc/26/24/46/633262446.db2.gz IXGVOMLWRZHPRZ-SFHVURJKSA-N 1 0 285.387 3.404 20 10 CGCDRO CCC[N@H+](Cc1c(C2CC2)cnn1C)Cc1ccccc1O ZINC000824650797 633268333 /nfs/dbraw/zinc/26/83/33/633268333.db2.gz WWKOQBJWJQVNAD-UHFFFAOYSA-N 1 0 299.418 3.415 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CC[C@H](OC)C(C)(C)C2)c(O)c1 ZINC000824821271 633296505 /nfs/dbraw/zinc/29/65/05/633296505.db2.gz XJAJNQGJMUBTAX-INIZCTEOSA-N 1 0 293.407 3.038 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC000824942087 633308776 /nfs/dbraw/zinc/30/87/76/633308776.db2.gz VYOZGIBFWYDXSF-DYVFJYSZSA-N 1 0 273.376 3.021 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)cc1 ZINC000825125024 633330688 /nfs/dbraw/zinc/33/06/88/633330688.db2.gz CVENBOJDXOQHJU-FUHWJXTLSA-N 1 0 288.435 3.190 20 10 CGCDRO Cc1noc(C)c1C[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825138087 633331432 /nfs/dbraw/zinc/33/14/32/633331432.db2.gz GWNZIHKKCJSHQS-UHFFFAOYSA-N 1 0 280.755 3.249 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCCC(C)(C)CO)cc1Cl ZINC000825297797 633343334 /nfs/dbraw/zinc/34/33/34/633343334.db2.gz NTVGTTQOIBSJHP-UHFFFAOYSA-N 1 0 285.815 3.242 20 10 CGCDRO CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OC)c(C)c1 ZINC000825300290 633343458 /nfs/dbraw/zinc/34/34/58/633343458.db2.gz ZPMBGABFONCCSA-NVXWUHKLSA-N 1 0 277.408 3.441 20 10 CGCDRO COC[C@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2)CC1 ZINC000825321900 633344683 /nfs/dbraw/zinc/34/46/83/633344683.db2.gz QKXBKAOPRANHAZ-INIZCTEOSA-N 1 0 276.424 3.001 20 10 CGCDRO COC(=O)CCCCC[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825903563 633388133 /nfs/dbraw/zinc/38/81/33/633388133.db2.gz KYVLJOYJOLHPQD-UHFFFAOYSA-N 1 0 299.798 3.177 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+][C@H]3CCC[C@@H]4C[C@@H]43)C2)cc1 ZINC000826844914 633436902 /nfs/dbraw/zinc/43/69/02/633436902.db2.gz BVFSMYMDGTWVST-BODMPHMZSA-N 1 0 286.419 3.052 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+][C@@H]2CCN(C(C)(C)C)C2)c1O ZINC000826866804 633438890 /nfs/dbraw/zinc/43/88/90/633438890.db2.gz DTMZLGYNBXMFJP-CQSZACIVSA-N 1 0 296.842 3.316 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CCc2ccc(C)cc2C1 ZINC000826911156 633443428 /nfs/dbraw/zinc/44/34/28/633443428.db2.gz UMJTVPFVFZHHTL-UHFFFAOYSA-N 1 0 283.371 3.268 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H]3COC[C@]3(C)C2)cc1 ZINC000827281018 633477964 /nfs/dbraw/zinc/47/79/64/633477964.db2.gz HVOOUMKCEGOQKM-AEFFLSMTSA-N 1 0 288.435 3.001 20 10 CGCDRO Cc1ccc(O)c(C[NH+]2CCC([C@H]3CCCCO3)CC2)c1 ZINC000827376869 633486558 /nfs/dbraw/zinc/48/65/58/633486558.db2.gz JRYSTETWGLTDDN-GOSISDBHSA-N 1 0 289.419 3.482 20 10 CGCDRO CCc1cccc(C[N@@H+]2C[C@H](C)O[C@](C)(C(F)F)C2)c1O ZINC000827958154 633540213 /nfs/dbraw/zinc/54/02/13/633540213.db2.gz YYWWKRXFPICEEW-ZBEGNZNMSA-N 1 0 299.361 3.199 20 10 CGCDRO CCc1cccc(C[N@@H+]2C[C@@H](C)O[C@](C)(C(F)F)C2)c1O ZINC000827958150 633540412 /nfs/dbraw/zinc/54/04/12/633540412.db2.gz YYWWKRXFPICEEW-BZNIZROVSA-N 1 0 299.361 3.199 20 10 CGCDRO CC[C@H]([NH2+]Cc1nnc(C2CC2)s1)c1ccccc1O ZINC000828686934 633642335 /nfs/dbraw/zinc/64/23/35/633642335.db2.gz CBBCXLKTGIUIQF-LBPRGKRZSA-N 1 0 289.404 3.362 20 10 CGCDRO Cc1cc(C[N@@H+]2CCOC[C@H]2C2CCC2)ccc1N(C)C ZINC000830213352 633840114 /nfs/dbraw/zinc/84/01/14/633840114.db2.gz CEHZYEQFKSNIHH-SFHVURJKSA-N 1 0 288.435 3.062 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2C[C@@H](C)OC3(CCC3)C2)cc1 ZINC000830740377 633882850 /nfs/dbraw/zinc/88/28/50/633882850.db2.gz SITXUBWTWRFFMK-OAHLLOKOSA-N 1 0 288.435 3.286 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)[C@@H]1CCCOC1 ZINC000872027541 633946770 /nfs/dbraw/zinc/94/67/70/633946770.db2.gz FAPIAUINAIBVFB-GDBMZVCRSA-N 1 0 294.414 3.187 20 10 CGCDRO CCC[C@H](C)[C@@H](CO)[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000846183713 636154716 /nfs/dbraw/zinc/15/47/16/636154716.db2.gz JHMJRXMEHYYDPM-KCQAQPDRSA-N 1 0 265.397 3.148 20 10 CGCDRO CCC[C@H](C)[C@H](CO)[NH2+][C@H](C)c1ccc(C)cc1O ZINC000846183711 636154828 /nfs/dbraw/zinc/15/48/28/636154828.db2.gz JHMJRXMEHYYDPM-GUTXKFCHSA-N 1 0 265.397 3.148 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1)c1ccc(N(C)C)cc1 ZINC000872109468 634034705 /nfs/dbraw/zinc/03/47/05/634034705.db2.gz NKNCMWBEFWCFSM-UNQWWWNPSA-N 1 0 288.435 3.361 20 10 CGCDRO CCN(C)c1ccc(C[NH2+][C@@H](C)c2cnn(CC)c2)cc1 ZINC000832314714 634046586 /nfs/dbraw/zinc/04/65/86/634046586.db2.gz VDSOQSRGFVWCEG-AWEZNQCLSA-N 1 0 286.423 3.210 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@]3(CCOC3)C2)cc1 ZINC000832348916 634051774 /nfs/dbraw/zinc/05/17/74/634051774.db2.gz UDGBSULTDXHKLC-GOSISDBHSA-N 1 0 288.435 3.145 20 10 CGCDRO COc1ccccc1OCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834492665 634173850 /nfs/dbraw/zinc/17/38/50/634173850.db2.gz ZUIKYOBSDDCKEN-CQSZACIVSA-N 1 0 299.370 3.057 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]CCc1ccc(F)cc1F)CC2 ZINC000834581662 634189233 /nfs/dbraw/zinc/18/92/33/634189233.db2.gz HFTRCOKTSONDPF-OAHLLOKOSA-N 1 0 289.325 3.490 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000834588402 634192111 /nfs/dbraw/zinc/19/21/11/634192111.db2.gz BMSRWNLOXMBBNQ-XJKSGUPXSA-N 1 0 284.407 3.053 20 10 CGCDRO CO[C@@H]1C[C@@H]([NH2+]CCCSc2nccs2)C12CCC2 ZINC000834593020 634193663 /nfs/dbraw/zinc/19/36/63/634193663.db2.gz GSBZMGBPUQRMIV-VXGBXAGGSA-N 1 0 298.477 3.173 20 10 CGCDRO CC[C@@H]([NH2+][C@H]1CCc2cccc(O)c21)c1c(C)nn(C)c1C ZINC000834607329 634197011 /nfs/dbraw/zinc/19/70/11/634197011.db2.gz VEOZIJUZRIFZQY-CABCVRRESA-N 1 0 299.418 3.471 20 10 CGCDRO C[C@H](C[NH2+][C@H]1CCc2cccc(O)c21)c1ccncc1 ZINC000834617123 634198685 /nfs/dbraw/zinc/19/86/85/634198685.db2.gz VJHLWELNLWDZKV-DOMZBBRYSA-N 1 0 268.360 3.168 20 10 CGCDRO CC[C@H]([NH2+]CCC(C)(C)CO)c1cc(Cl)ccc1O ZINC000834869912 634259910 /nfs/dbraw/zinc/25/99/10/634259910.db2.gz DMTVDJRPZOCYRY-ZDUSSCGKSA-N 1 0 285.815 3.495 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCOC2(C)C)cc1 ZINC000834874370 634262478 /nfs/dbraw/zinc/26/24/78/634262478.db2.gz CVZIKBNZWGXGDQ-BBRMVZONSA-N 1 0 276.424 3.361 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)c1cc2c(cc1O)CCCC2)[C@@H](C)O ZINC000834887371 634267721 /nfs/dbraw/zinc/26/77/21/634267721.db2.gz ITELVGQOYPOSAQ-HSMVNMDESA-N 1 0 277.408 3.081 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)c1cc(Cl)cc(C)c1O)[C@H](C)O ZINC000834889817 634269762 /nfs/dbraw/zinc/26/97/62/634269762.db2.gz ZXAUIEUYBDOEAF-KWBADKCTSA-N 1 0 271.788 3.164 20 10 CGCDRO C[C@H]([NH2+][C@H]1C[C@H](C)n2ccnc21)c1cc(F)ccc1O ZINC000834893850 634271314 /nfs/dbraw/zinc/27/13/14/634271314.db2.gz HITZZAKFQWABOG-KWBADKCTSA-N 1 0 275.327 3.084 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1CCOC(C)(C)C1)c1ccccc1O ZINC000834913208 634285262 /nfs/dbraw/zinc/28/52/62/634285262.db2.gz ZTODZMZFFYDPNZ-OLZOCXBDSA-N 1 0 263.381 3.248 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)c1ccc(C)cc1O ZINC000834916089 634287105 /nfs/dbraw/zinc/28/71/05/634287105.db2.gz ZRHBPFADMNVUEM-IPYPFGDCSA-N 1 0 263.381 3.309 20 10 CGCDRO CCC1(O)CC[NH+](C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000835025121 634324633 /nfs/dbraw/zinc/32/46/33/634324633.db2.gz FPBUNZPTOZZAPM-AATRIKPKSA-N 1 0 288.435 3.003 20 10 CGCDRO CC[N@H+](C/C=C/c1ccc(N(C)C)cc1)C[C@@H]1CCOC1 ZINC000835026235 634325545 /nfs/dbraw/zinc/32/55/45/634325545.db2.gz SMAFOAWAQPZWKB-RTRPANQVSA-N 1 0 288.435 3.124 20 10 CGCDRO CCCCOCC[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835034987 634327276 /nfs/dbraw/zinc/32/72/76/634327276.db2.gz DEPJGPZLVRKRKH-SREVYHEPSA-N 1 0 276.424 3.172 20 10 CGCDRO CCc1cc(C[NH2+]C/C=C/c2ccc(N(C)C)cc2)on1 ZINC000835033311 634327638 /nfs/dbraw/zinc/32/76/38/634327638.db2.gz SFMRZOLCUSLFNB-AATRIKPKSA-N 1 0 285.391 3.106 20 10 CGCDRO CSCC[C@H](C)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835039272 634329754 /nfs/dbraw/zinc/32/97/54/634329754.db2.gz COMQGHDXCAKZJF-GXMNPTEKSA-N 1 0 278.465 3.497 20 10 CGCDRO CN(C)c1ccc(/C=C/C[N@H+](C)Cc2cccnc2)cc1 ZINC000835044530 634331267 /nfs/dbraw/zinc/33/12/67/634331267.db2.gz LKKRXNXWZDSLRN-FNORWQNLSA-N 1 0 281.403 3.293 20 10 CGCDRO C[C@H]1CSCC[N@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835048367 634334203 /nfs/dbraw/zinc/33/42/03/634334203.db2.gz HNWMBUSBJDFSBG-FOSCPCJNSA-N 1 0 290.476 3.451 20 10 CGCDRO CO[C@@](C)(C[NH2+]C/C=C\c1ccc(N(C)C)cc1)C1CC1 ZINC000835055769 634339172 /nfs/dbraw/zinc/33/91/72/634339172.db2.gz OKACCJBLOUSXMC-XFHJGTJQSA-N 1 0 288.435 3.171 20 10 CGCDRO CCc1nc(C)c(C[NH2+]C/C=C/c2ccc(N(C)C)cc2)o1 ZINC000835055945 634340173 /nfs/dbraw/zinc/34/01/73/634340173.db2.gz QGWGDCUNRYNJEN-VOTSOKGWSA-N 1 0 299.418 3.414 20 10 CGCDRO COc1ccc(C[NH2+]C[C@@H]2CCOC(C)(C)C2)cc1C ZINC000835059539 634341955 /nfs/dbraw/zinc/34/19/55/634341955.db2.gz IVYRRUHZLMAUQJ-OAHLLOKOSA-N 1 0 277.408 3.298 20 10 CGCDRO CCOc1cccc(C[NH2+]C[C@H]2CCOC(C)(C)C2)c1O ZINC000835060734 634342161 /nfs/dbraw/zinc/34/21/61/634342161.db2.gz VIQIQJWUKJEEJU-ZDUSSCGKSA-N 1 0 293.407 3.086 20 10 CGCDRO C[C@H]1CC[C@@H](C[NH2+]Cc2ccc3ccccc3c2O)O1 ZINC000835087999 634350405 /nfs/dbraw/zinc/35/04/05/634350405.db2.gz SGKGZWLURHQHPB-WFASDCNBSA-N 1 0 271.360 3.203 20 10 CGCDRO C[N@@H+](Cc1ccccc1O)C[C@@H]1CCN(c2ccccc2)C1 ZINC000876616368 634868519 /nfs/dbraw/zinc/86/85/19/634868519.db2.gz XQLGKGRAJDEFHB-INIZCTEOSA-N 1 0 296.414 3.351 20 10 CGCDRO CC[N@H+](CCc1ccccn1)Cc1c(C)cccc1O ZINC000876634809 634871825 /nfs/dbraw/zinc/87/18/25/634871825.db2.gz CGYZFUVGPPNXMB-UHFFFAOYSA-N 1 0 270.376 3.160 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCO[C@H](c2cccs2)C1 ZINC000876643763 634874810 /nfs/dbraw/zinc/87/48/10/634874810.db2.gz MHAZFNCGQZXACA-HNNXBMFYSA-N 1 0 289.400 3.336 20 10 CGCDRO CN(C)c1ccc(CNCc2nc(Cl)cs2)cc1F ZINC000876989360 634945702 /nfs/dbraw/zinc/94/57/02/634945702.db2.gz UBIGLOAPNSUUGO-UHFFFAOYSA-N 1 0 299.802 3.291 20 10 CGCDRO C[C@@H]([NH2+]CCCSc1nccs1)[C@@H]1CC1(F)F ZINC000877061714 634967844 /nfs/dbraw/zinc/96/78/44/634967844.db2.gz QWWGFINKRHSTOJ-BDAKNGLRSA-N 1 0 278.393 3.259 20 10 CGCDRO CS[C@H]1CC[C@@H]([NH2+]Cc2c(C)cccc2O)C1 ZINC000877068026 634969922 /nfs/dbraw/zinc/96/99/22/634969922.db2.gz LRWBPWOFHMARKF-NEPJUHHUSA-N 1 0 251.395 3.074 20 10 CGCDRO COCC[C@@H]([NH2+]Cc1ccc(C)cc1O)c1ccc(C)o1 ZINC000877166923 635004766 /nfs/dbraw/zinc/00/47/66/635004766.db2.gz ILSRKDIRXXZREN-OAHLLOKOSA-N 1 0 289.375 3.469 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c(O)c1 ZINC000877472470 635049727 /nfs/dbraw/zinc/04/97/27/635049727.db2.gz UFVRDVBGLNQZDC-UHFFFAOYSA-N 1 0 286.331 3.207 20 10 CGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@@H]1CS[C@H](C)C1 ZINC000877477358 635051396 /nfs/dbraw/zinc/05/13/96/635051396.db2.gz BLXXLHNVGWFGPI-DOMZBBRYSA-N 1 0 264.438 3.256 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cnc(C)o1)c1ccc(N(C)C)cc1 ZINC000840799091 635053878 /nfs/dbraw/zinc/05/38/78/635053878.db2.gz YLQQPESTBATUNU-MRXNPFEDSA-N 1 0 273.380 3.290 20 10 CGCDRO C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cc(F)cc(F)c1[O-] ZINC000840809275 635055469 /nfs/dbraw/zinc/05/54/69/635055469.db2.gz HVYTWPCZWBPYEA-VXGBXAGGSA-N 1 0 298.377 3.053 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](C)c2ccn(C)n2)c1O ZINC000840815891 635057515 /nfs/dbraw/zinc/05/75/15/635057515.db2.gz QQLAVYFFXPSXKZ-GHMZBOCLSA-N 1 0 293.798 3.499 20 10 CGCDRO Cc1ccc([C@H](O)[C@H](C)[NH2+]Cc2ccc(C)cc2O)cc1 ZINC000877516691 635067675 /nfs/dbraw/zinc/06/76/75/635067675.db2.gz DENDXSLLOCSLSB-KBXCAEBGSA-N 1 0 285.387 3.221 20 10 CGCDRO COCC1CCC([NH2+][C@H](C)c2cc(OC)ccc2O)CC1 ZINC000840881092 635072007 /nfs/dbraw/zinc/07/20/07/635072007.db2.gz NPYZLXOLNYDERS-IYXRBSQSSA-N 1 0 293.407 3.257 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F)[C@H](O)C(C)C ZINC000840880889 635072366 /nfs/dbraw/zinc/07/23/66/635072366.db2.gz FOBQMNQERSGFSV-HWAANXBSSA-N 1 0 295.398 3.465 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCCCO2)c(Cl)c1 ZINC000840884346 635074740 /nfs/dbraw/zinc/07/47/40/635074740.db2.gz KQOZCXYIBLBEFV-NSHDSACASA-N 1 0 269.772 3.013 20 10 CGCDRO CC[C@@H](CSC)[N@H+](C)Cc1ccc(C)cc1O ZINC000877531517 635074774 /nfs/dbraw/zinc/07/47/74/635074774.db2.gz OHSAJGOLQZZSJR-ZDUSSCGKSA-N 1 0 253.411 3.274 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H](C)[C@H]1CCCO1 ZINC000840894737 635077227 /nfs/dbraw/zinc/07/72/27/635077227.db2.gz SFLVSDOZXOOITA-HDMKZQKVSA-N 1 0 290.451 3.149 20 10 CGCDRO Cc1ccc(C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c(O)c1 ZINC000877542109 635080579 /nfs/dbraw/zinc/08/05/79/635080579.db2.gz VNQMPRNUSODUEE-DLBZAZTESA-N 1 0 287.403 3.234 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)c(Cl)c1 ZINC000840916229 635080873 /nfs/dbraw/zinc/08/08/73/635080873.db2.gz HXUGPPRGWJMQBT-STQMWFEESA-N 1 0 295.810 3.212 20 10 CGCDRO Cc1cc(O)c(C[N@H+](C)C[C@@H]2CCCCO2)c(Cl)c1 ZINC000840911574 635081200 /nfs/dbraw/zinc/08/12/00/635081200.db2.gz HYSONHNDCUIPNZ-LBPRGKRZSA-N 1 0 283.799 3.355 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](CO)C1CCCCC1 ZINC000840935519 635084676 /nfs/dbraw/zinc/08/46/76/635084676.db2.gz RQMYRIJLNQVYKB-SFHVURJKSA-N 1 0 290.451 3.092 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)[C@H]1CCCCO1 ZINC000840936969 635085484 /nfs/dbraw/zinc/08/54/84/635085484.db2.gz PFGTWMTVCSXTAC-RHSMWYFYSA-N 1 0 276.424 3.108 20 10 CGCDRO CO[C@@H]1C[N@H+](Cc2c(O)cc(C)cc2Cl)CC[C@@H]1C ZINC000840940128 635087318 /nfs/dbraw/zinc/08/73/18/635087318.db2.gz UWZFFLCAGZHEMN-XHDPSFHLSA-N 1 0 283.799 3.211 20 10 CGCDRO COC[C@@H]1CCCC[N@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000840939435 635087443 /nfs/dbraw/zinc/08/74/43/635087443.db2.gz YBDZQWPISOUDDP-MRXNPFEDSA-N 1 0 290.451 3.310 20 10 CGCDRO CO[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2C)CC1(C)C ZINC000840951316 635090922 /nfs/dbraw/zinc/09/09/22/635090922.db2.gz WFLHWKVXQIYOPY-KRWDZBQOSA-N 1 0 290.451 3.308 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H]2C[C@@H](OC(C)C)C2)c(Cl)c1 ZINC000840952523 635092051 /nfs/dbraw/zinc/09/20/51/635092051.db2.gz CURFTLGRUIUSGC-TXEJJXNPSA-N 1 0 283.799 3.400 20 10 CGCDRO COc1cccc(C[NH2+]C[C@H]2CCC[C@@H]2C2CC2)c1O ZINC000840954078 635092598 /nfs/dbraw/zinc/09/25/98/635092598.db2.gz CRMHKVOYQSDESH-UKRRQHHQSA-N 1 0 275.392 3.317 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc2ccccc2c1O)[C@H](O)C(C)C ZINC000840968205 635095757 /nfs/dbraw/zinc/09/57/57/635095757.db2.gz OSDYYRFLQJZDJG-DLBZAZTESA-N 1 0 287.403 3.431 20 10 CGCDRO Cc1cc(C[NH2+][C@H](C)Cc2ccc(N(C)C)cc2C)no1 ZINC000840976591 635098752 /nfs/dbraw/zinc/09/87/52/635098752.db2.gz OMLPZSWPTTYGGT-CYBMUJFWSA-N 1 0 287.407 3.078 20 10 CGCDRO Cc1cccc(O)c1C[NH+]1CC(CC(F)(F)F)C1 ZINC000877580246 635101302 /nfs/dbraw/zinc/10/13/02/635101302.db2.gz JBACXWFNALMWQT-UHFFFAOYSA-N 1 0 259.271 3.085 20 10 CGCDRO Cc1cccc(O)c1C[NH+]1CCC(OC2CCC2)CC1 ZINC000877593584 635105916 /nfs/dbraw/zinc/10/59/16/635105916.db2.gz WLJNULWXADPLLW-UHFFFAOYSA-N 1 0 275.392 3.234 20 10 CGCDRO Nc1ccc(CC[NH2+]Cc2cnc(C3CCC3)s2)cc1 ZINC000841036032 635111270 /nfs/dbraw/zinc/11/12/70/635111270.db2.gz SAMVGJGFZPGKPZ-UHFFFAOYSA-N 1 0 287.432 3.325 20 10 CGCDRO CS[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C)cc1O ZINC000877610800 635111422 /nfs/dbraw/zinc/11/14/22/635111422.db2.gz YXJNDXIUSAXJAQ-UKRRQHHQSA-N 1 0 265.422 3.464 20 10 CGCDRO CC(C)[C@@H]1CCC[C@H]1[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000841041780 635112218 /nfs/dbraw/zinc/11/22/18/635112218.db2.gz BVYUQRHLDDKXLN-RCCFBDPRSA-N 1 0 289.467 3.167 20 10 CGCDRO Cc1ncc([C@H](C)[NH2+]Cc2cc(Cl)ccc2O)c(C)n1 ZINC000877612076 635112779 /nfs/dbraw/zinc/11/27/79/635112779.db2.gz CIPGTBVOTHQAIC-VIFPVBQESA-N 1 0 291.782 3.303 20 10 CGCDRO CC[NH2+]Cc1ccccc1NCc1cccc(C)c1O ZINC000841043794 635113297 /nfs/dbraw/zinc/11/32/97/635113297.db2.gz VBUUKJAWSJCCNW-UHFFFAOYSA-N 1 0 270.376 3.422 20 10 CGCDRO CCOc1ccc(CNc2cccc(C[NH2+]C)c2)c(O)c1 ZINC000841043003 635113704 /nfs/dbraw/zinc/11/37/04/635113704.db2.gz NVHYKKPJPVPDRC-UHFFFAOYSA-N 1 0 286.375 3.122 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc(C)cc1O)[C@@H]1CCCCO1 ZINC000877619353 635115468 /nfs/dbraw/zinc/11/54/68/635115468.db2.gz WWBMNNFGNYZUKT-ZBFHGGJFSA-N 1 0 263.381 3.138 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCCc3cc(N)ccc32)c1 ZINC000841058800 635116543 /nfs/dbraw/zinc/11/65/43/635116543.db2.gz VEVVPCUJEZAOHJ-QGZVFWFLSA-N 1 0 298.386 3.150 20 10 CGCDRO Cc1cc(O)c(CNc2ccc3c(c2)C[NH2+]CCO3)cc1C ZINC000841083702 635118655 /nfs/dbraw/zinc/11/86/55/635118655.db2.gz YDQIBUHRWKEMES-UHFFFAOYSA-N 1 0 298.386 3.103 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]C[C@@H]1CCN1Cc1ccccc1 ZINC000877639177 635127383 /nfs/dbraw/zinc/12/73/83/635127383.db2.gz CSOPKVSPLXLNEV-KRWDZBQOSA-N 1 0 296.414 3.065 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H](C)CCc2cccnc2)c1 ZINC000877652898 635133006 /nfs/dbraw/zinc/13/30/06/635133006.db2.gz PJDFFXYDJYJALZ-CQSZACIVSA-N 1 0 270.376 3.207 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](O)C[C@@H]2c2ccccc2)c1 ZINC000877674886 635142427 /nfs/dbraw/zinc/14/24/27/635142427.db2.gz WKEFTADYIZTCKA-QZTJIDSGSA-N 1 0 297.398 3.399 20 10 CGCDRO COc1cccc(C)c1C[N@@H+]1Cc2cccc(O)c2C1 ZINC000877703069 635155156 /nfs/dbraw/zinc/15/51/56/635155156.db2.gz PYLDLFUTWAJSOD-UHFFFAOYSA-N 1 0 269.344 3.225 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H]3CSC[C@H]3C2)cc1F ZINC000877737513 635171136 /nfs/dbraw/zinc/17/11/36/635171136.db2.gz GSRIGGIGHLJAPT-ZIAGYGMSSA-N 1 0 294.439 3.077 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000877737326 635171554 /nfs/dbraw/zinc/17/15/54/635171554.db2.gz FMJCLIUINTUSIS-CMPLNLGQSA-N 1 0 283.824 3.231 20 10 CGCDRO COC1(C[C@@H](C)[NH2+][C@H](C)c2ccccc2O)CCC1 ZINC000877755878 635184424 /nfs/dbraw/zinc/18/44/24/635184424.db2.gz PZSYRDRYOOWTOV-CHWSQXEVSA-N 1 0 263.381 3.391 20 10 CGCDRO CCO[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2O)C12CCC2 ZINC000877756249 635185245 /nfs/dbraw/zinc/18/52/45/635185245.db2.gz AZCSLHLJEZOWMU-WQVCFCJDSA-N 1 0 275.392 3.391 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H](C)c2ccccc2O)n1 ZINC000877757419 635185296 /nfs/dbraw/zinc/18/52/96/635185296.db2.gz ZUZOIJIAADHUPF-LBPRGKRZSA-N 1 0 272.348 3.037 20 10 CGCDRO CCc1nn(C)c(Cl)c1C[NH2+][C@H](C)c1ccccc1O ZINC000877756558 635185697 /nfs/dbraw/zinc/18/56/97/635185697.db2.gz RSPYAKYGUYMFNL-SNVBAGLBSA-N 1 0 293.798 3.192 20 10 CGCDRO COC[C@H](CC(C)C)[NH2+][C@@H](C)c1ccccc1O ZINC000877757139 635185755 /nfs/dbraw/zinc/18/57/55/635185755.db2.gz ISDAYIFWQXMYST-STQMWFEESA-N 1 0 251.370 3.104 20 10 CGCDRO COc1cc(C[C@H](C)[NH2+][C@@H](C)c2ccccc2O)ccn1 ZINC000877757984 635186783 /nfs/dbraw/zinc/18/67/83/635186783.db2.gz BMYAYQNQORXMEM-STQMWFEESA-N 1 0 286.375 3.078 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2ncc(Cl)s2)c(O)c1 ZINC000877806254 635209466 /nfs/dbraw/zinc/20/94/66/635209466.db2.gz IIZZVLJMMIVZFZ-UHFFFAOYSA-N 1 0 268.769 3.100 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2C[C@H](C)[C@H](C)[C@@H]2C)c1O ZINC000841690109 635212145 /nfs/dbraw/zinc/21/21/45/635212145.db2.gz MBGCKHCKOMFNHT-AVGNSLFASA-N 1 0 263.381 3.186 20 10 CGCDRO CCN(CC[NH2+][C@H](C)c1ccc(Cl)cc1O)C(C)C ZINC000841748042 635223785 /nfs/dbraw/zinc/22/37/85/635223785.db2.gz VMLUIHVLSIVMBW-GFCCVEGCSA-N 1 0 284.831 3.427 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccn(C)c1)c1ccc(Cl)cc1O ZINC000841754251 635228157 /nfs/dbraw/zinc/22/81/57/635228157.db2.gz JLRGUPPWPBHWJU-SNVBAGLBSA-N 1 0 264.756 3.235 20 10 CGCDRO CC(C)[C@@](C)(O)C[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841757201 635231048 /nfs/dbraw/zinc/23/10/48/635231048.db2.gz BUZGFHGZCDUIOV-YGRLFVJLSA-N 1 0 271.788 3.103 20 10 CGCDRO C[C@@H]([NH2+]CCc1cscn1)c1ccc(Cl)cc1O ZINC000841757387 635231768 /nfs/dbraw/zinc/23/17/68/635231768.db2.gz GBWZMBWNJWEJRB-SECBINFHSA-N 1 0 282.796 3.395 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cccc(C)c1O)[C@H](O)c1ccccc1 ZINC000877831981 635232788 /nfs/dbraw/zinc/23/27/88/635232788.db2.gz DIEKKXVPROKAHT-SJLPKXTDSA-N 1 0 285.387 3.302 20 10 CGCDRO COCC1CCC([NH2+]Cc2c(O)cccc2Cl)CC1 ZINC000842222078 635312170 /nfs/dbraw/zinc/31/21/70/635312170.db2.gz DBOOXYHYLJKTNT-UHFFFAOYSA-N 1 0 283.799 3.340 20 10 CGCDRO C[N@@H+](Cc1ccccc1O)C[C@@H]1CCC(C)(C)CO1 ZINC000878242329 635429026 /nfs/dbraw/zinc/42/90/26/635429026.db2.gz OTTHNDHRDCCOEZ-AWEZNQCLSA-N 1 0 263.381 3.029 20 10 CGCDRO C[N@@H+](Cc1ccccc1O)C[C@@H]1CC(C)(C)OC1(C)C ZINC000878242592 635429467 /nfs/dbraw/zinc/42/94/67/635429467.db2.gz SLVHCAQMRJGKIL-AWEZNQCLSA-N 1 0 277.408 3.418 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(CO)cc1)c1cc(Cl)ccc1O ZINC000842896167 635508929 /nfs/dbraw/zinc/50/89/29/635508929.db2.gz USVFWGJVMQMRSH-LLVKDONJSA-N 1 0 291.778 3.389 20 10 CGCDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(C)cc2O)[C@@H]1SC ZINC000842923816 635513499 /nfs/dbraw/zinc/51/34/99/635513499.db2.gz KRXVBHMBLFLAHH-ZCDTZLGTSA-N 1 0 295.448 3.260 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1CC2(CCC2)CO1)c1ccc(N(C)C)cc1 ZINC000878455305 635514551 /nfs/dbraw/zinc/51/45/51/635514551.db2.gz VXVGEZPZRXTAJY-RHSMWYFYSA-N 1 0 288.435 3.362 20 10 CGCDRO Cc1cc(C[N@@H+]2CCC[C@H]2c2cn[nH]c2)ccc1N(C)C ZINC000878876470 635648875 /nfs/dbraw/zinc/64/88/75/635648875.db2.gz NPZKGHHCJAXKFH-KRWDZBQOSA-N 1 0 284.407 3.121 20 10 CGCDRO COc1ccc(N(Cc2ccccc2)C[C@@H](C)[NH3+])cc1 ZINC000843357925 635654194 /nfs/dbraw/zinc/65/41/94/635654194.db2.gz TZOULURYUBGHPP-CQSZACIVSA-N 1 0 270.376 3.049 20 10 CGCDRO CCN(CC)[C@H](C)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000127529162 635711751 /nfs/dbraw/zinc/71/17/51/635711751.db2.gz DTCPWIJNCAVHCQ-HUUCEWRRSA-N 1 0 277.456 3.134 20 10 CGCDRO C[C@]1(C[NH2+]Cc2c(O)cccc2Cl)CCCS1 ZINC000127896525 635823856 /nfs/dbraw/zinc/82/38/56/635823856.db2.gz PHXRGYCVJVWOHW-CYBMUJFWSA-N 1 0 271.813 3.421 20 10 CGCDRO C[C@@H]([NH2+]CCC(=O)OCc1ccccc1)c1ccccc1O ZINC000879649576 635826503 /nfs/dbraw/zinc/82/65/03/635826503.db2.gz WJNNXEOEAOQZBD-CQSZACIVSA-N 1 0 299.370 3.176 20 10 CGCDRO CC[C@H]1COC(C)(C)C[N@@H+]1Cc1cc(OC)c(C)cc1O ZINC000844723235 635957319 /nfs/dbraw/zinc/95/73/19/635957319.db2.gz LPSHWNSGDNHFKG-AWEZNQCLSA-N 1 0 293.407 3.099 20 10 CGCDRO Oc1ccc2ccccc2c1C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844753531 635959524 /nfs/dbraw/zinc/95/95/24/635959524.db2.gz YTBQRHSKLNGFNU-OKILXGFUSA-N 1 0 275.298 3.242 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](c3nccs3)C2)cc1 ZINC000880321375 635974262 /nfs/dbraw/zinc/97/42/62/635974262.db2.gz SHJNXFHTYIYIEC-CQSZACIVSA-N 1 0 287.432 3.199 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CNc3ccccc3C2)c(O)c1 ZINC000844919551 635983569 /nfs/dbraw/zinc/98/35/69/635983569.db2.gz FSGVORXWTKMMPI-ZFWWWQNUSA-N 1 0 282.387 3.388 20 10 CGCDRO CC1(C)CCC[N@H+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000211495566 636091502 /nfs/dbraw/zinc/09/15/02/636091502.db2.gz KSENUDXQMRVUEH-UHFFFAOYSA-N 1 0 277.364 3.133 20 10 CGCDRO CSCC[C@@H](C)[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000129011432 636110904 /nfs/dbraw/zinc/11/09/04/636110904.db2.gz OFUKTZNDIHHKNW-GFCCVEGCSA-N 1 0 284.444 3.465 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CC[C@@H]2C(C)C)c1 ZINC000845971361 636125714 /nfs/dbraw/zinc/12/57/14/636125714.db2.gz JBWHNQKZGXGUFN-LNSITVRQSA-N 1 0 263.381 3.486 20 10 CGCDRO CCC[C@H](C)[C@@H](CO)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000846015024 636129777 /nfs/dbraw/zinc/12/97/77/636129777.db2.gz UGUXIYGEFDBWSM-WHFNLZNOSA-N 1 0 290.451 3.153 20 10 CGCDRO CC[C@@H]([NH2+][C@H](C)COCC1CC1)c1ccccc1O ZINC000846074086 636142601 /nfs/dbraw/zinc/14/26/01/636142601.db2.gz WMRCNWVIJVSMOO-IUODEOHRSA-N 1 0 263.381 3.248 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)c2ccccn2)c1O ZINC000846136522 636148844 /nfs/dbraw/zinc/14/88/44/636148844.db2.gz JSULKFFHKSOICP-NEPJUHHUSA-N 1 0 272.348 3.208 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+][C@H](C)c2ccccn2)c1O ZINC000846136528 636148850 /nfs/dbraw/zinc/14/88/50/636148850.db2.gz JSULKFFHKSOICP-VXGBXAGGSA-N 1 0 272.348 3.208 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]CCC(C)(C)C)c1O ZINC000846144861 636149268 /nfs/dbraw/zinc/14/92/68/636149268.db2.gz NSOCPTULVQTMOL-LLVKDONJSA-N 1 0 251.370 3.488 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H]2CC=CCC2)c1O ZINC000846142895 636149312 /nfs/dbraw/zinc/14/93/12/636149312.db2.gz GNKIHYKXNVKGLI-CHWSQXEVSA-N 1 0 261.365 3.408 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]CC[C@@H]2CCCCO2)c1O ZINC000846163120 636151041 /nfs/dbraw/zinc/15/10/41/636151041.db2.gz KVCRTQATRCVBCN-OLZOCXBDSA-N 1 0 279.380 3.011 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCC(F)(F)C2)c1O ZINC000846161399 636151332 /nfs/dbraw/zinc/15/13/32/636151332.db2.gz YHEPYDOUOQYSSI-ZJUUUORDSA-N 1 0 271.307 3.239 20 10 CGCDRO CCn1cc([C@@H](C)[NH2+][C@H](C)c2cccc(OC)c2O)cn1 ZINC000846169109 636153031 /nfs/dbraw/zinc/15/30/31/636153031.db2.gz OFCQOZHCPWALKW-VXGBXAGGSA-N 1 0 289.379 3.029 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@H]2COCc3ccccc32)c1O ZINC000846173428 636154115 /nfs/dbraw/zinc/15/41/15/636154115.db2.gz QTGZRKXJGBQTCF-LRDDRELGSA-N 1 0 299.370 3.323 20 10 CGCDRO C[C@H]([NH2+][C@@H](C)[C@](C)(O)c1ccccc1)c1ccccc1O ZINC000846189642 636156368 /nfs/dbraw/zinc/15/63/68/636156368.db2.gz RBKXOYDXRODQSG-DEYYWGMASA-N 1 0 285.387 3.339 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)[C@@](C)(O)c1ccccc1 ZINC000846188385 636156394 /nfs/dbraw/zinc/15/63/94/636156394.db2.gz OCQCYXCPAAYPCQ-URKNILKWSA-N 1 0 297.398 3.265 20 10 CGCDRO CC(C)C[C@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000129617610 636322781 /nfs/dbraw/zinc/32/27/81/636322781.db2.gz SJRKOPWOYNJNDC-CYBMUJFWSA-N 1 0 277.364 3.131 20 10 CGCDRO C[NH+](C)Cc1cccc(NCc2cc(F)cc(F)c2O)c1 ZINC000882908107 636456697 /nfs/dbraw/zinc/45/66/97/636456697.db2.gz DCOKAXVNULHQAN-UHFFFAOYSA-N 1 0 292.329 3.344 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+]C2(C)CC=CC2)cc1 ZINC000848560457 636606547 /nfs/dbraw/zinc/60/65/47/636606547.db2.gz FZCOHZLKTIXGKJ-SREVYHEPSA-N 1 0 256.393 3.464 20 10 CGCDRO C[C@H](Cc1ccccn1)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000848566610 636609249 /nfs/dbraw/zinc/60/92/49/636609249.db2.gz CBDXOHJHOHJJEM-MWWKQMNYSA-N 1 0 295.430 3.382 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)[C@@H]1CCCCO1 ZINC000848575876 636614278 /nfs/dbraw/zinc/61/42/78/636614278.db2.gz XLJBCIULCGKXAG-RDJZCZTQSA-N 1 0 294.414 3.329 20 10 CGCDRO C[C@@H]([NH2+]CCc1ccns1)c1cc(Cl)ccc1O ZINC000883247614 636616984 /nfs/dbraw/zinc/61/69/84/636616984.db2.gz QMVZIZIQTQDHJP-SECBINFHSA-N 1 0 282.796 3.395 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCS[C@H](C)[C@@H]2C)c1O ZINC000848887297 636675173 /nfs/dbraw/zinc/67/51/73/636675173.db2.gz SFWKBQDLQJZGLK-NWDGAFQWSA-N 1 0 265.422 3.280 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCC[C@H]2CSC)c1O ZINC000848890813 636677699 /nfs/dbraw/zinc/67/76/99/636677699.db2.gz VBINCRPAGACNEY-AWEZNQCLSA-N 1 0 265.422 3.282 20 10 CGCDRO CCc1cccc(C[NH2+]Cc2ccc(COC)cc2)c1O ZINC000848892782 636679027 /nfs/dbraw/zinc/67/90/27/636679027.db2.gz GZDRWZCDSCWSJJ-UHFFFAOYSA-N 1 0 285.387 3.391 20 10 CGCDRO CCO[C@@H](CC[NH2+]Cc1cccc(CC)c1O)C(C)C ZINC000848897632 636680787 /nfs/dbraw/zinc/68/07/87/636680787.db2.gz KRGBGMYRSYHZOM-INIZCTEOSA-N 1 0 279.424 3.495 20 10 CGCDRO CCc1cccc(C[NH2+]C(C)(C)C2CCOCC2)c1O ZINC000848907374 636685480 /nfs/dbraw/zinc/68/54/80/636685480.db2.gz MSRRJNPRSUOVEQ-UHFFFAOYSA-N 1 0 277.408 3.249 20 10 CGCDRO CCc1cccc(C[N@@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c1O ZINC000848912876 636687148 /nfs/dbraw/zinc/68/71/48/636687148.db2.gz LEZSKIJSSSTVMM-NVXWUHKLSA-N 1 0 289.419 3.344 20 10 CGCDRO CCc1cccc(C[N@@H+]2C[C@@H](C)OC3(CCC3)C2)c1O ZINC000848920060 636690997 /nfs/dbraw/zinc/69/09/97/636690997.db2.gz WSCUNVJLNDWFBJ-CYBMUJFWSA-N 1 0 275.392 3.098 20 10 CGCDRO CCc1cccc(C[NH2+][C@H](C2CC2)C2CCOCC2)c1O ZINC000848919922 636691227 /nfs/dbraw/zinc/69/12/27/636691227.db2.gz VUHRTOYHHGMGKM-QGZVFWFLSA-N 1 0 289.419 3.249 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H](CC(=O)OC(C)C)C(C)C)c1 ZINC000848927166 636699447 /nfs/dbraw/zinc/69/94/47/636699447.db2.gz RMKXAQHFSCHWDQ-HNNXBMFYSA-N 1 0 293.407 3.157 20 10 CGCDRO C[N@H+](Cc1ccccc1O)Cc1ccc(F)cc1F ZINC000084862576 636767807 /nfs/dbraw/zinc/76/78/07/636767807.db2.gz REYXZGRILVXEJE-UHFFFAOYSA-N 1 0 263.287 3.302 20 10 CGCDRO CC[C@H]([NH2+]CCOC1CCCC1)c1ccccc1O ZINC000108942634 636894615 /nfs/dbraw/zinc/89/46/15/636894615.db2.gz FHZPFELHZKIFHQ-HNNXBMFYSA-N 1 0 263.381 3.392 20 10 CGCDRO Oc1ccccc1C[NH2+][C@H]1CCc2c1cccc2F ZINC000134230399 637007104 /nfs/dbraw/zinc/00/71/04/637007104.db2.gz PJRBOKSWSMSMAU-HNNXBMFYSA-N 1 0 257.308 3.308 20 10 CGCDRO CCOc1ccc(C[NH2+]C[C@H](C)c2ccccn2)c(O)c1 ZINC000850341550 637020851 /nfs/dbraw/zinc/02/08/51/637020851.db2.gz KROCXCRLMCZEGS-ZDUSSCGKSA-N 1 0 286.375 3.079 20 10 CGCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3ccsc3)C2)cc1 ZINC000850345711 637021581 /nfs/dbraw/zinc/02/15/81/637021581.db2.gz IMBXWHMFIVEQSZ-CQSZACIVSA-N 1 0 288.416 3.125 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+][C@H]3CC[C@@H](C)C3)C2)cc1 ZINC000850347774 637022866 /nfs/dbraw/zinc/02/28/66/637022866.db2.gz XEPKWUGSZJDUCG-ILXRZTDVSA-N 1 0 274.408 3.052 20 10 CGCDRO Cc1cc(C)cc(C[NH2+]Cc2cc3c(cc2O)OCO3)c1 ZINC000850366906 637031573 /nfs/dbraw/zinc/03/15/73/637031573.db2.gz NKUWTLGFFTZTRJ-UHFFFAOYSA-N 1 0 285.343 3.028 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H]2C[C@@H](O)c3ccccc32)cc1C ZINC000850372752 637036353 /nfs/dbraw/zinc/03/63/53/637036353.db2.gz YJCFOWAVXVAJPE-FUHWJXTLSA-N 1 0 283.371 3.277 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)c1 ZINC000884482710 637041322 /nfs/dbraw/zinc/04/13/22/637041322.db2.gz GSJCFEXGQLQWOP-HOCLYGCPSA-N 1 0 275.392 3.010 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2C(C)(C)C2(F)F)cc1 ZINC000850394089 637045569 /nfs/dbraw/zinc/04/55/69/637045569.db2.gz LBWSYDGRBUPTFH-CYBMUJFWSA-N 1 0 268.351 3.134 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]CCCc1ccco1 ZINC000850407444 637050508 /nfs/dbraw/zinc/05/05/08/637050508.db2.gz INMFJUOCMHWOJR-UHFFFAOYSA-N 1 0 265.740 3.361 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CC2(O)CCC(F)(F)CC2)cc1C ZINC000850405631 637050684 /nfs/dbraw/zinc/05/06/84/637050684.db2.gz XHYVLKZHQQUKMV-UHFFFAOYSA-N 1 0 299.361 3.039 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@H]2CCOC2(C)C)cc1 ZINC000850409169 637051592 /nfs/dbraw/zinc/05/15/92/637051592.db2.gz MQWSEKKKAHGKFY-SQRWCISFSA-N 1 0 288.435 3.171 20 10 CGCDRO COc1ccc(C[NH2+][C@H](c2ccccc2)[C@H](C)O)cc1C ZINC000850419649 637055108 /nfs/dbraw/zinc/05/51/08/637055108.db2.gz GIJIELWPVYTZRO-KSSFIOAISA-N 1 0 285.387 3.215 20 10 CGCDRO CC[C@@H](COCC1CC1)[NH2+][C@H](C)c1cccc(OC)c1O ZINC000850495158 637091498 /nfs/dbraw/zinc/09/14/98/637091498.db2.gz XMFKWEKYJMXQNM-OCCSQVGLSA-N 1 0 293.407 3.257 20 10 CGCDRO CCO[C@H]1C[C@H]([NH2+][C@@H](CC)c2ccc(N(C)C)cc2)C1 ZINC000850513387 637098538 /nfs/dbraw/zinc/09/85/38/637098538.db2.gz HGDFNIABWXOTBL-XIRDDKMYSA-N 1 0 276.424 3.361 20 10 CGCDRO C[C@@H]([NH2+][C@H]1COC2(CCC2)C1)c1cc(Cl)ccc1O ZINC000850526827 637105576 /nfs/dbraw/zinc/10/55/76/637105576.db2.gz XEDFNEQUBXHOOG-ZYHUDNBSSA-N 1 0 281.783 3.408 20 10 CGCDRO CC[C@@H](O)C[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000850531188 637108489 /nfs/dbraw/zinc/10/84/89/637108489.db2.gz GTKAXRXYWBLIBF-RHSMWYFYSA-N 1 0 276.424 3.098 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@]2(C)CC2(F)F)c1O ZINC000850538004 637112654 /nfs/dbraw/zinc/11/26/54/637112654.db2.gz ZUHCGYUPKCTUCG-NOZJJQNGSA-N 1 0 271.307 3.097 20 10 CGCDRO CCCN1CC[C@H]([NH2+][C@H](CC)c2ccc(N(C)C)cc2)C1 ZINC000850553691 637118618 /nfs/dbraw/zinc/11/86/18/637118618.db2.gz ATRGIWCWICTAGV-FUHWJXTLSA-N 1 0 289.467 3.278 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2CCOC2(C)C)c(O)c1 ZINC000850570189 637127741 /nfs/dbraw/zinc/12/77/41/637127741.db2.gz FMOHOCZCVOSAOG-KGLIPLIRSA-N 1 0 277.408 3.475 20 10 CGCDRO C[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1O)c1nccn1C ZINC000850573163 637129579 /nfs/dbraw/zinc/12/95/79/637129579.db2.gz VMUFLOXIQBYDTL-UWVGGRQHSA-N 1 0 279.771 3.191 20 10 CGCDRO C[C@@H]([NH2+][C@H](C)c1cc(Cl)ccc1O)c1nccn1C ZINC000850572191 637129979 /nfs/dbraw/zinc/12/99/79/637129979.db2.gz HXHUAWZHMVRBLJ-NXEZZACHSA-N 1 0 279.771 3.191 20 10 CGCDRO C[C@@H](O)[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1ccccc1 ZINC000850585413 637132642 /nfs/dbraw/zinc/13/26/42/637132642.db2.gz XYCUPSHBOOISRO-JKDFXYPNSA-N 1 0 289.350 3.304 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@H]2CCCC(C)(C)C2)c1 ZINC000136144018 637290628 /nfs/dbraw/zinc/29/06/28/637290628.db2.gz BLLWZVSMKIWWRG-ZDUSSCGKSA-N 1 0 263.381 3.459 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1CC[C@@H](C2CC2)O1)c1ccccc1O ZINC000886310180 637493530 /nfs/dbraw/zinc/49/35/30/637493530.db2.gz GGRPUYJONVOEGV-FFSVYQOJSA-N 1 0 261.365 3.000 20 10 CGCDRO Oc1cc2c(cc1C[NH2+]C[C@H]1C[C@@H]1c1ccccc1)OCO2 ZINC000111398381 637861405 /nfs/dbraw/zinc/86/14/05/637861405.db2.gz RMYZMNOCFYVJAW-UKRRQHHQSA-N 1 0 297.354 3.014 20 10 CGCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CC[C@H]3C[C@H]3C2)c1 ZINC000853577684 637869085 /nfs/dbraw/zinc/86/90/85/637869085.db2.gz IIBOBSPNHNYLBF-RYUDHWBXSA-N 1 0 275.392 3.237 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)C1(C)CC1 ZINC000113330067 638200555 /nfs/dbraw/zinc/20/05/55/638200555.db2.gz OINSFGJVGINHOD-NSHDSACASA-N 1 0 250.361 3.170 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+]CC[C@H]2CC2(F)F)c1O ZINC000857060332 638447608 /nfs/dbraw/zinc/44/76/08/638447608.db2.gz QEHKPNZVFITDFN-JTQLQIEISA-N 1 0 275.726 3.489 20 10 CGCDRO CN(C)c1cc(F)c(C[NH2+]CCOC2CCCC2)cc1F ZINC000858118203 638636362 /nfs/dbraw/zinc/63/63/62/638636362.db2.gz RQZDRWRUZWBGRY-UHFFFAOYSA-N 1 0 298.377 3.080 20 10 CGCDRO Cc1cc(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)ccn1 ZINC000858171807 638649465 /nfs/dbraw/zinc/64/94/65/638649465.db2.gz VFNPHOVXRUTEMW-UHFFFAOYSA-N 1 0 291.345 3.024 20 10 CGCDRO CN(C)c1cc(F)c(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)cc1F ZINC000858176891 638649988 /nfs/dbraw/zinc/64/99/88/638649988.db2.gz DCFQTPMEMFDGGW-GMXABZIVSA-N 1 0 280.362 3.309 20 10 CGCDRO C[C@H](C[NH2+]Cc1cc(F)c(N(C)C)cc1F)CC(F)F ZINC000858182435 638651125 /nfs/dbraw/zinc/65/11/25/638651125.db2.gz SRENEQNKSXAKCL-VIFPVBQESA-N 1 0 292.320 3.412 20 10 CGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@]2(C)CC2(F)F)cc1F ZINC000858192690 638655688 /nfs/dbraw/zinc/65/56/88/638655688.db2.gz OZDGIGQYLIPEQZ-ZDUSSCGKSA-N 1 0 290.304 3.166 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+]CC2CC=CC2)cc1 ZINC000858220933 638659588 /nfs/dbraw/zinc/65/95/88/638659588.db2.gz UQNAUTJCKHKIRA-VMPITWQZSA-N 1 0 256.393 3.322 20 10 CGCDRO Cc1ccc(C(C)(C)C[NH2+]Cc2cc(C)ccc2O)nc1 ZINC000858242666 638662472 /nfs/dbraw/zinc/66/24/72/638662472.db2.gz ZCACZSPCXSMJGJ-UHFFFAOYSA-N 1 0 284.403 3.471 20 10 CGCDRO C/C=C\C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000858291377 638673377 /nfs/dbraw/zinc/67/33/77/638673377.db2.gz XFLXDBKWJFUYJL-IHWYPQMZSA-N 1 0 289.379 3.251 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]C[C@]23CCC[C@H]2OCC3)c1O ZINC000926916603 638824969 /nfs/dbraw/zinc/82/49/69/638824969.db2.gz RNXFMDWDOSDHHF-SRCQZFHVSA-N 1 0 291.391 3.011 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1C[C@H]2OC(C)(C)O[C@H]2C1)c1ccccc1O ZINC000927060219 638836048 /nfs/dbraw/zinc/83/60/48/638836048.db2.gz LBZHAMZPSXBGIM-DLKVLKDVSA-N 1 0 291.391 3.115 20 10 CGCDRO COC[C@@H](C[NH2+][C@H](C)c1cc(C)ccc1O)C(C)C ZINC000927097788 638841564 /nfs/dbraw/zinc/84/15/64/638841564.db2.gz ZRLOHJWDLQKZJN-ZIAGYGMSSA-N 1 0 265.397 3.270 20 10 CGCDRO CO[C@H]1C[C@@H](C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)C1 ZINC000858593175 638998887 /nfs/dbraw/zinc/99/88/87/638998887.db2.gz VARGYVOUVPZDCT-MELADBBJSA-N 1 0 263.381 3.085 20 10 CGCDRO C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)C[C@H](C)C1(F)F ZINC000859414526 639138510 /nfs/dbraw/zinc/13/85/10/639138510.db2.gz HXNFEUQUPNMWBE-BETUJISGSA-N 1 0 282.378 3.476 20 10 CGCDRO CCN(C)c1ccc(CN2CCC(C)([NH+](C)C)CC2)cc1 ZINC000931351991 639139840 /nfs/dbraw/zinc/13/98/40/639139840.db2.gz CPXVQOPQSMIDAK-UHFFFAOYSA-N 1 0 289.467 3.059 20 10 CGCDRO Cc1cccc(C[NH+]2CCN(c3ccccc3)CC2)c1O ZINC000158021848 639996640 /nfs/dbraw/zinc/99/66/40/639996640.db2.gz OBQNTMWAEHPGJT-UHFFFAOYSA-N 1 0 282.387 3.023 20 10 CGCDRO CCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)OC(C)(C)C ZINC000076074246 640173157 /nfs/dbraw/zinc/17/31/57/640173157.db2.gz ZENIXDDPHVIVBK-CYBMUJFWSA-N 1 0 293.407 3.334 20 10 CGCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3ccccc3)C2)cc1 ZINC000076360731 640194122 /nfs/dbraw/zinc/19/41/22/640194122.db2.gz BDQIVUYRYMRLII-KRWDZBQOSA-N 1 0 296.414 3.311 20 10 CGCDRO C[C@H]([NH2+][C@@H](C)c1ccccc1O)c1ccc(NC(N)=O)cc1 ZINC000192850810 640410927 /nfs/dbraw/zinc/41/09/27/640410927.db2.gz OCASTYRLAAMRLT-RYUDHWBXSA-N 1 0 299.374 3.295 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cccc(OC)c1O)c1nccs1 ZINC000080260288 640458790 /nfs/dbraw/zinc/45/87/90/640458790.db2.gz QJUZQZBTESFXRT-LLVKDONJSA-N 1 0 278.377 3.098 20 10 CGCDRO CCC(CC)(CO)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000090801015 640693602 /nfs/dbraw/zinc/69/36/02/640693602.db2.gz RDDZYZOEQQKMSF-CQSZACIVSA-N 1 0 278.440 3.202 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)Cc2cc(Cl)cn2C)cc1 ZINC000091930509 640727518 /nfs/dbraw/zinc/72/75/18/640727518.db2.gz YMRCXSFHDDTVEA-UHFFFAOYSA-N 1 0 291.826 3.377 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H]2CN2CCCCC2)c1 ZINC000092219088 640731806 /nfs/dbraw/zinc/73/18/06/640731806.db2.gz RLPKPCPFNQUZDC-KRWDZBQOSA-N 1 0 288.435 3.151 20 10 CGCDRO CCN1CCCC[C@H]1C[NH2+][C@H](C)c1cc(C)ccc1O ZINC000248483410 640762556 /nfs/dbraw/zinc/76/25/56/640762556.db2.gz CSPAAOTYDHYLGZ-CABCVRRESA-N 1 0 276.424 3.226 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)CN1CCC[C@@H](C)C1)c1cc(F)ccc1O ZINC000248491041 640763250 /nfs/dbraw/zinc/76/32/50/640763250.db2.gz IMKKUPQGZMHVSB-HZSPNIEDSA-N 1 0 294.414 3.302 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCOCC23CCC3)cc1 ZINC000093510686 640774401 /nfs/dbraw/zinc/77/44/01/640774401.db2.gz PETIZMJCLJDERN-UHFFFAOYSA-N 1 0 288.435 3.288 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCS[C@@H](C(C)C)C2)c1 ZINC000093869292 640783852 /nfs/dbraw/zinc/78/38/52/640783852.db2.gz NIGDZPMLCQDJLA-OAHLLOKOSA-N 1 0 265.422 3.274 20 10 CGCDRO CC(C)C[C@@H](C[NH2+][C@@H](C)c1cc(F)ccc1O)N(C)C ZINC000094616995 640798438 /nfs/dbraw/zinc/79/84/38/640798438.db2.gz MCPRSJNKIGYKFD-JSGCOSHPSA-N 1 0 282.403 3.158 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H](C)c2cc(F)ccc2O)n1 ZINC000094618061 640800520 /nfs/dbraw/zinc/80/05/20/640800520.db2.gz NGPDUNUDNSCAFP-NSHDSACASA-N 1 0 260.312 3.086 20 10 CGCDRO C[C@@H](C[NH2+][C@@H](C)c1cc(F)ccc1O)N1CCCCC1 ZINC000094617753 640800543 /nfs/dbraw/zinc/80/05/43/640800543.db2.gz YTNJYCQPXPJRSQ-STQMWFEESA-N 1 0 280.387 3.056 20 10 CGCDRO Cc1cscc1C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000094877698 640804878 /nfs/dbraw/zinc/80/48/78/640804878.db2.gz GLIPUJUXVVHZGD-UHFFFAOYSA-N 1 0 260.406 3.412 20 10 CGCDRO C[C@@H](C[C@H](O)c1ccco1)[NH2+]Cc1cc(Cl)ccc1O ZINC000305712692 640899800 /nfs/dbraw/zinc/89/98/00/640899800.db2.gz GFBSHISFCDLRQG-HZMBPMFUSA-N 1 0 295.766 3.240 20 10 CGCDRO C[C@H](N=[N+]=[N-])c1cc2cccc(F)c2[nH]c1=NOCC[NH3+] ZINC001156291533 805671950 /nfs/dbraw/zinc/67/19/50/805671950.db2.gz GJCUFIRLIVCEJU-QMMMGPOBSA-N 1 0 290.302 3.047 20 10 CGCDRO CO[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001254197310 806362436 /nfs/dbraw/zinc/36/24/36/806362436.db2.gz WWJAZYVASHWJKB-WMZOPIPTSA-N 1 0 288.435 3.192 20 10 CGCDRO C[C@H]1C[C@@H]([NH2+]CCC2CCOCC2)c2c1c(F)ccc2O ZINC001254722099 806487260 /nfs/dbraw/zinc/48/72/60/806487260.db2.gz YUSJXQRQXGLUHJ-SMDDNHRTSA-N 1 0 293.382 3.486 20 10 CGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2[NH2+]C1CCOCC1 ZINC001255038357 806533232 /nfs/dbraw/zinc/53/32/32/806533232.db2.gz MLJSFCPCGCZNCT-QGZVFWFLSA-N 1 0 289.419 3.401 20 10 CGCDRO CCOC(=O)[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2ccccc2O)C1 ZINC001255343870 806622963 /nfs/dbraw/zinc/62/29/63/806622963.db2.gz PKROINZIQCVRQC-MGPQQGTHSA-N 1 0 291.391 3.165 20 10 CGCDRO COc1cccc(CC[NH2+]Cc2ccc(N(C)C)cc2)c1 ZINC000032130141 798848469 /nfs/dbraw/zinc/84/84/69/798848469.db2.gz PVFJSRRMMVLQRA-UHFFFAOYSA-N 1 0 284.403 3.094 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)CN1CCCCC1)c1ccccc1O ZINC000037153607 798860994 /nfs/dbraw/zinc/86/09/94/798860994.db2.gz LVIOQOCWILTYHZ-HOCLYGCPSA-N 1 0 276.424 3.307 20 10 CGCDRO C[C@@H]([NH2+][C@@H](Cn1ccnc1)C(C)(C)C)c1ccccc1O ZINC000037156700 798862855 /nfs/dbraw/zinc/86/28/55/798862855.db2.gz HLPUOFYOCTXAPG-CJNGLKHVSA-N 1 0 287.407 3.354 20 10 CGCDRO CC(=O)c1cc(Cl)cc(C[NH+]2CCCCC2)c1O ZINC000037322708 798866261 /nfs/dbraw/zinc/86/62/61/798866261.db2.gz KWCHLOOBSISBQM-UHFFFAOYSA-N 1 0 267.756 3.234 20 10 CGCDRO c1cc(C[NH2+]CCCOC2CCCCC2)cc2c1OCC2 ZINC000037362907 798866790 /nfs/dbraw/zinc/86/67/90/798866790.db2.gz JRDCSQPUKUQLFM-UHFFFAOYSA-N 1 0 289.419 3.451 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccsc2)cc1 ZINC000128501812 799018780 /nfs/dbraw/zinc/01/87/80/799018780.db2.gz RQXZRJYXIQMOMD-UHFFFAOYSA-N 1 0 260.406 3.446 20 10 CGCDRO COc1ccc(O)c(C[NH2+]CCC(C)(C)C2CC2)c1 ZINC000328285035 799251541 /nfs/dbraw/zinc/25/15/41/799251541.db2.gz CRWBSYOEDMLBES-UHFFFAOYSA-N 1 0 263.381 3.317 20 10 CGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]CC1=CCCOC1 ZINC000379736156 799353847 /nfs/dbraw/zinc/35/38/47/799353847.db2.gz MHBCMGKTRXFGJQ-JSGCOSHPSA-N 1 0 273.376 3.185 20 10 CGCDRO CC[C@H](C)[C@H](C[NH2+][C@@H](C)c1ccc(C)cc1O)OC ZINC000381320682 799376586 /nfs/dbraw/zinc/37/65/86/799376586.db2.gz WFJGSGPUBQDEBB-XEZPLFJOSA-N 1 0 265.397 3.412 20 10 CGCDRO CC[C@H](C)[C@H](C[NH2+]Cc1ccc(OC)c(C)c1)OC ZINC000381278483 799376727 /nfs/dbraw/zinc/37/67/27/799376727.db2.gz KEYZADYFDUWELY-LRDDRELGSA-N 1 0 265.397 3.154 20 10 CGCDRO CC[C@H](C)[C@H](C[NH2+][C@@H](C)c1ccc(N(C)C)cc1)OC ZINC000381353801 799377899 /nfs/dbraw/zinc/37/78/99/799377899.db2.gz FSWIZVVBETVOQN-ZQIUZPCESA-N 1 0 278.440 3.464 20 10 CGCDRO CS[C@@H]1CC[C@@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000381540225 799382101 /nfs/dbraw/zinc/38/21/01/799382101.db2.gz HKCGLTNZXXEKQI-CMPLNLGQSA-N 1 0 257.786 3.029 20 10 CGCDRO COc1cccc(C[NH2+][C@H]2CC3CCC2CC3)c1O ZINC000381777467 799387797 /nfs/dbraw/zinc/38/77/97/799387797.db2.gz XNCMLOGUHGMPGB-YIZWMMSDSA-N 1 0 261.365 3.069 20 10 CGCDRO CC(C)OCCC[N@H+](C)Cc1cc(Cl)ccc1O ZINC000382823233 799398760 /nfs/dbraw/zinc/39/87/60/799398760.db2.gz YYEBDYTWSMKCMX-UHFFFAOYSA-N 1 0 271.788 3.293 20 10 CGCDRO CC(C)(CC[NH2+]Cc1cc(F)ccc1O)C1CC1 ZINC000385835768 799428915 /nfs/dbraw/zinc/42/89/15/799428915.db2.gz RIFLNDCYATYCHH-UHFFFAOYSA-N 1 0 251.345 3.447 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](CO)C2CCCCC2)c1 ZINC000386257081 799434674 /nfs/dbraw/zinc/43/46/74/799434674.db2.gz LZYBYBIBSYHSBB-CJNGLKHVSA-N 1 0 277.408 3.292 20 10 CGCDRO CN1CCCc2cc(C[NH2+][C@H]3CCC3(C)C)ccc21 ZINC000389188924 799460879 /nfs/dbraw/zinc/46/08/79/799460879.db2.gz NNVIQARDSPIPQJ-INIZCTEOSA-N 1 0 258.409 3.347 20 10 CGCDRO CC[C@@H]([NH2+]CC(C)(C)C(C)(C)O)c1ccccc1O ZINC000393600428 799488762 /nfs/dbraw/zinc/48/87/62/799488762.db2.gz QXXVNGLFHKQVLO-CYBMUJFWSA-N 1 0 265.397 3.230 20 10 CGCDRO CC(C)[C@H](CO)C[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000394095776 799494466 /nfs/dbraw/zinc/49/44/66/799494466.db2.gz QSUYPKXLDOGIMH-HIFRSBDPSA-N 1 0 287.403 3.461 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]C2CC(C)(C)C2)c1O ZINC000395184624 799503384 /nfs/dbraw/zinc/50/33/84/799503384.db2.gz QJZBFHFPTCKEBT-UHFFFAOYSA-N 1 0 269.772 3.332 20 10 CGCDRO CC/C=C\C[NH2+]Cc1cc(Br)ccc1O ZINC000395186950 799503395 /nfs/dbraw/zinc/50/33/95/799503395.db2.gz VBHASVOMBHZSHS-ARJAWSKDSA-N 1 0 270.170 3.211 20 10 CGCDRO C[C@H]([NH2+][C@H]1CS[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000397822193 799521061 /nfs/dbraw/zinc/52/10/61/799521061.db2.gz FFVQWILARRECAA-MBNYWOFBSA-N 1 0 264.438 3.297 20 10 CGCDRO COc1ccc(O)c(C[NH2+]Cc2csc(C)c2C)c1 ZINC000399783821 799542156 /nfs/dbraw/zinc/54/21/56/799542156.db2.gz VQTBCTRRHQQFMF-UHFFFAOYSA-N 1 0 277.389 3.369 20 10 CGCDRO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2)c1ccccc1O ZINC000403605099 799568844 /nfs/dbraw/zinc/56/88/44/799568844.db2.gz WBCWOEPNBGYVOM-WODVXLOZSA-N 1 0 263.406 3.469 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1C[C@@H](C)O[C@H]1C)c1ccc(N(C)C)cc1 ZINC000686511432 799734535 /nfs/dbraw/zinc/73/45/35/799734535.db2.gz PKXZIZFWWHQOTL-HGTKMLMNSA-N 1 0 276.424 3.217 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]C2CCC(F)(F)CC2)c1 ZINC000688458606 799748975 /nfs/dbraw/zinc/74/89/75/799748975.db2.gz UNJLLLQRUHAFHI-UHFFFAOYSA-N 1 0 255.308 3.368 20 10 CGCDRO CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(CC)CC)cc2)CO1 ZINC000688530809 799749576 /nfs/dbraw/zinc/74/95/76/799749576.db2.gz PLNCQOQUIQKWEK-NVXWUHKLSA-N 1 0 276.424 3.190 20 10 CGCDRO COc1ccc(C[NH2+]C[C@@H]2CCC[C@@H](C)O2)cc1C ZINC000688878138 799756445 /nfs/dbraw/zinc/75/64/45/799756445.db2.gz KZXKYSXCKSAZAN-HIFRSBDPSA-N 1 0 263.381 3.051 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@]2(C)CC2(F)F)c1 ZINC000689214295 799761959 /nfs/dbraw/zinc/76/19/59/799761959.db2.gz OSNQKVJKBWSKGB-ZWNOBZJWSA-N 1 0 255.308 3.397 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@H]2CCCSC2)c1O ZINC000691449461 799783460 /nfs/dbraw/zinc/78/34/60/799783460.db2.gz UBLZTHFSKCGWOA-GFCCVEGCSA-N 1 0 265.422 3.187 20 10 CGCDRO Oc1cc(Br)ccc1C[NH2+]C(C1CC1)C1CC1 ZINC000691477506 799785694 /nfs/dbraw/zinc/78/56/94/799785694.db2.gz TUPGXILHDQWDFK-UHFFFAOYSA-N 1 0 296.208 3.433 20 10 CGCDRO CC[C@H](C)[N@H+](C)Cc1ccc(Br)cc1O ZINC000691734008 799786797 /nfs/dbraw/zinc/78/67/97/799786797.db2.gz LZCWWXRGJWDXFS-VIFPVBQESA-N 1 0 272.186 3.385 20 10 CGCDRO Oc1ccccc1C[NH2+]CC1CCC(F)(F)CC1 ZINC000693299956 799809687 /nfs/dbraw/zinc/80/96/87/799809687.db2.gz CWOBCJSYHBDRAY-UHFFFAOYSA-N 1 0 255.308 3.307 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C[C@]23C[C@H]2CCCC3)c1 ZINC000693594248 799812703 /nfs/dbraw/zinc/81/27/03/799812703.db2.gz WNCPPUOKAJQMKU-CJNGLKHVSA-N 1 0 261.365 3.071 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(C(C)(C)C)C2)c(O)c1 ZINC000693893521 799817674 /nfs/dbraw/zinc/81/76/74/799817674.db2.gz WYTPIELBBDWGOK-UONOGXRCSA-N 1 0 276.424 3.224 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)c1O ZINC000694324510 799821694 /nfs/dbraw/zinc/82/16/94/799821694.db2.gz SRTZWYCBMMYAEL-KWCYVHTRSA-N 1 0 261.365 3.069 20 10 CGCDRO CCOc1cccc(C[NH2+]CCCOC(C)(C)C)c1O ZINC000695279199 799828146 /nfs/dbraw/zinc/82/81/46/799828146.db2.gz IDGNUQDMYJMYIL-UHFFFAOYSA-N 1 0 281.396 3.086 20 10 CGCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1csc(Cl)n1 ZINC000700861242 799881955 /nfs/dbraw/zinc/88/19/55/799881955.db2.gz MKPLKTZIWAGXOY-UHFFFAOYSA-N 1 0 293.823 3.208 20 10 CGCDRO C[C@]1(C[NH2+]Cc2cc(Cl)ccc2O)CC1(F)F ZINC000701803462 799895484 /nfs/dbraw/zinc/89/54/84/799895484.db2.gz OKAYCYUFIDEUHH-LLVKDONJSA-N 1 0 261.699 3.181 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC[C@H]2CCSC2)c1 ZINC000704814635 799942996 /nfs/dbraw/zinc/94/29/96/799942996.db2.gz WRYNCUOFCYZHSJ-RYUDHWBXSA-N 1 0 281.421 3.195 20 10 CGCDRO CCCO[C@@H]1CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000706217050 799959587 /nfs/dbraw/zinc/95/95/87/799959587.db2.gz QAHOBPHRYXRJRB-LLVKDONJSA-N 1 0 269.772 3.047 20 10 CGCDRO CC1(C)CCC[N@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000708421451 799989033 /nfs/dbraw/zinc/98/90/33/799989033.db2.gz GFJVPELSLWENLT-UHFFFAOYSA-N 1 0 255.308 3.292 20 10 CGCDRO CCC[C@@H]1CCC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000708478713 799989984 /nfs/dbraw/zinc/98/99/84/799989984.db2.gz FPLRRMGPMHZDCP-CYBMUJFWSA-N 1 0 263.381 3.413 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@@H](C)c2nccs2)c1O ZINC000709445643 800008111 /nfs/dbraw/zinc/00/81/11/800008111.db2.gz MMBGYFQMUVNPSZ-LLVKDONJSA-N 1 0 276.405 3.304 20 10 CGCDRO CCc1cccc(C[NH2+][C@H](C)Cc2ccco2)c1O ZINC000709418984 800008765 /nfs/dbraw/zinc/00/87/65/800008765.db2.gz UIRIQCFWPQBQRQ-GFCCVEGCSA-N 1 0 259.349 3.268 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1C[C@H](OC)C12CCC2)c1ccccc1O ZINC000713480980 800110680 /nfs/dbraw/zinc/11/06/80/800110680.db2.gz OEZJNFJHMCXZBG-IMJJTQAJSA-N 1 0 275.392 3.391 20 10 CGCDRO CO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(C)cc2O)C12CCC2 ZINC000713481864 800111055 /nfs/dbraw/zinc/11/10/55/800111055.db2.gz ZAPGRRHDIUHNDQ-UHOFOFEASA-N 1 0 275.392 3.309 20 10 CGCDRO CCOc1cccc(C[NH2+][C@H](C)c2ccns2)c1O ZINC000715930555 800153246 /nfs/dbraw/zinc/15/32/46/800153246.db2.gz GXUUFBNNRQVVRH-SNVBAGLBSA-N 1 0 278.377 3.098 20 10 CGCDRO COc1ccc(C[NH2+][C@H](C)c2ccns2)cc1C ZINC000715966381 800156217 /nfs/dbraw/zinc/15/62/17/800156217.db2.gz OKCBORHFQWZDAW-LLVKDONJSA-N 1 0 262.378 3.311 20 10 CGCDRO CC[C@H](C[C@H](C)O)[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2C ZINC000716888682 800183909 /nfs/dbraw/zinc/18/39/09/800183909.db2.gz XEJOQSOVMBEJTL-FQUUOJAGSA-N 1 0 277.408 3.388 20 10 CGCDRO CCc1cccc(C[NH2+]Cc2nc(C)c(C)s2)c1O ZINC000719527811 800240705 /nfs/dbraw/zinc/24/07/05/800240705.db2.gz NDHHXGZNCGRINQ-UHFFFAOYSA-N 1 0 276.405 3.318 20 10 CGCDRO CC[C@H]([NH2+]C[C@H]1CC[C@H](C2CC2)O1)c1ccccc1O ZINC000722333772 800314312 /nfs/dbraw/zinc/31/43/12/800314312.db2.gz OELJLGHBDNICPD-UKPHBRMFSA-N 1 0 275.392 3.391 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CC[C@H](C3CC3)O2)c1 ZINC000722334382 800315777 /nfs/dbraw/zinc/31/57/77/800315777.db2.gz TXMYJIVGYCEIPE-RVSPLBMKSA-N 1 0 275.392 3.309 20 10 CGCDRO OCC[C@H]([NH2+]Cc1cc(Cl)ccc1O)C1CCCC1 ZINC000725125938 800375717 /nfs/dbraw/zinc/37/57/17/800375717.db2.gz OAGWCZLRJPXOPD-AWEZNQCLSA-N 1 0 283.799 3.076 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCO[C@H](C3CCC3)C2)c1 ZINC000840174727 800497294 /nfs/dbraw/zinc/49/72/94/800497294.db2.gz BXBCXZVBQRYISH-INIZCTEOSA-N 1 0 275.392 3.010 20 10 CGCDRO Cc1cc(OC(F)(F)F)ccc1N(CCC[NH3+])C(C)C ZINC001164122544 806897262 /nfs/dbraw/zinc/89/72/62/806897262.db2.gz HHHIXQSJTPSXES-UHFFFAOYSA-N 1 0 290.329 3.457 20 10 CGCDRO C[C@@H](Cc1ccncc1)[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC001256748577 806971039 /nfs/dbraw/zinc/97/10/39/806971039.db2.gz NRDZZIUKBYSXBQ-HNNXBMFYSA-N 1 0 283.419 3.211 20 10 CGCDRO C[C@@H]1CC[C@@H]([NH2+]CCc2ccc(O)c(O)c2)C[C@H]1C ZINC001172359819 808254399 /nfs/dbraw/zinc/25/43/99/808254399.db2.gz OLRAJUDMLFHFED-YRGRVCCFSA-N 1 0 263.381 3.055 20 10 CGCDRO Cc1cc(C)c(C[NH2+][C@H](C)CCC(=O)OC(C)C)c(O)c1 ZINC001172746929 808428813 /nfs/dbraw/zinc/42/88/13/808428813.db2.gz WKAOZVLYNSHNBO-CQSZACIVSA-N 1 0 293.407 3.219 20 10 CGCDRO CC[C@@H](C)C[C@@H](CO)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001118264713 802544312 /nfs/dbraw/zinc/54/43/12/802544312.db2.gz LZGGEWJKIUVQKQ-WBVHZDCISA-N 1 0 290.451 3.174 20 10 CGCDRO Oc1cccc(Br)c1C[NH2+][C@H]1C=CCCC1 ZINC001118801034 802605042 /nfs/dbraw/zinc/60/50/42/802605042.db2.gz LGIFYHZAZXOGLC-JTQLQIEISA-N 1 0 282.181 3.353 20 10 CGCDRO CO[C@@H]1CC=C(c2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC001243817296 803028654 /nfs/dbraw/zinc/02/86/54/803028654.db2.gz WPXTYHDEKYRJDX-GOSISDBHSA-N 1 0 286.419 3.021 20 10 CGCDRO CC[N@H+](Cc1cncc(Cl)c1)Cc1ccccc1O ZINC001136996462 803668887 /nfs/dbraw/zinc/66/88/87/803668887.db2.gz JLPMBPGBRKZTAQ-UHFFFAOYSA-N 1 0 276.767 3.463 20 10 CGCDRO Cc1csc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)c1 ZINC001137160120 803691331 /nfs/dbraw/zinc/69/13/31/803691331.db2.gz SAPABMSVICDNTK-UHFFFAOYSA-N 1 0 289.400 3.416 20 10 CGCDRO C[N@H+](CC/C=C/c1cccnc1)Cc1c([O-])cccc1F ZINC001137840065 803779366 /nfs/dbraw/zinc/77/93/66/803779366.db2.gz QQGFTOWALZHCGI-QHHAFSJGSA-N 1 0 286.350 3.462 20 10 CGCDRO CCC[N@H+](CC)Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138336243 803898226 /nfs/dbraw/zinc/89/82/26/803898226.db2.gz MZQCPPAQYZEHHA-UHFFFAOYSA-N 1 0 288.435 3.323 20 10 CGCDRO CC[C@@H](C)[N@H+](C)Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138340151 803898264 /nfs/dbraw/zinc/89/82/64/803898264.db2.gz NCTDNAZOQMNQOM-CYBMUJFWSA-N 1 0 288.435 3.321 20 10 CGCDRO C[C@H]1CCC[N@@H+]1Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138336318 803899539 /nfs/dbraw/zinc/89/95/39/803899539.db2.gz OTCDFMIBBABDEK-ZDUSSCGKSA-N 1 0 286.419 3.075 20 10 CGCDRO Cc1cc(C[NH+]2CC3(C2)C[C@H](F)CS3)ccc1N(C)C ZINC001139673834 804247734 /nfs/dbraw/zinc/24/77/34/804247734.db2.gz LDZBXZQPOSTUSV-AWEZNQCLSA-N 1 0 294.439 3.090 20 10 CGCDRO Oc1ccc(F)cc1C[N@H+](Cc1ccco1)C1CC1 ZINC001140058459 804365219 /nfs/dbraw/zinc/36/52/19/804365219.db2.gz AQYMANLJFMCJCO-UHFFFAOYSA-N 1 0 261.296 3.289 20 10 CGCDRO CC[N@H+](Cc1ccccc1O)Cc1cc(F)ccc1O ZINC001140058543 804365959 /nfs/dbraw/zinc/36/59/59/804365959.db2.gz GIQGVAPCZQZJNT-UHFFFAOYSA-N 1 0 275.323 3.259 20 10 CGCDRO Cc1ccc(C)c(C[N@@H+]2CCC[C@@H](CF)C2)c1O ZINC001140182718 804396707 /nfs/dbraw/zinc/39/67/07/804396707.db2.gz XZSPRWZEVUSNCU-ZDUSSCGKSA-N 1 0 251.345 3.191 20 10 CGCDRO Cc1ccc(C)c(C[N@@H+]2CCC[C@H](C(F)F)C2)c1O ZINC001140182083 804396891 /nfs/dbraw/zinc/39/68/91/804396891.db2.gz ICGNEUBNPYPJHP-LBPRGKRZSA-N 1 0 269.335 3.486 20 10 CGCDRO Cc1ccc(C)c(C[N@H+](C)C[C@H]2Cc3ccccc3O2)c1O ZINC001140185942 804397523 /nfs/dbraw/zinc/39/75/23/804397523.db2.gz UUIDFNVMFIDXEC-MRXNPFEDSA-N 1 0 297.398 3.445 20 10 CGCDRO COC(C)(C)[C@@H]1CCC[N@@H+]1Cc1c(O)cccc1Cl ZINC001140341450 804419643 /nfs/dbraw/zinc/41/96/43/804419643.db2.gz ONWVWBPJCIMQJF-AWEZNQCLSA-N 1 0 283.799 3.435 20 10 CGCDRO Oc1cc(Cl)ccc1C[N@H+](CC1CC1)C1CC1 ZINC001140464488 804441144 /nfs/dbraw/zinc/44/11/44/804441144.db2.gz RSWROARGGKZXIU-UHFFFAOYSA-N 1 0 251.757 3.420 20 10 CGCDRO Oc1cc(Cl)ccc1C[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC001140466955 804442592 /nfs/dbraw/zinc/44/25/92/804442592.db2.gz NNNRITXERLJHRW-VIFPVBQESA-N 1 0 279.689 3.430 20 10 CGCDRO C[N@H+](CCc1ccncc1)Cc1ccc(Cl)cc1O ZINC001140466617 804443498 /nfs/dbraw/zinc/44/34/98/804443498.db2.gz IFKNIJJXYMTSFF-UHFFFAOYSA-N 1 0 276.767 3.115 20 10 CGCDRO Oc1cc(Cl)ccc1C[NH+]1CCC2(CCCO2)CC1 ZINC001140466926 804443932 /nfs/dbraw/zinc/44/39/32/804443932.db2.gz MLMHVNJDIFUGGA-UHFFFAOYSA-N 1 0 281.783 3.191 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](C(F)F)C2)c1 ZINC001140621253 804476981 /nfs/dbraw/zinc/47/69/81/804476981.db2.gz SQHIIPDZXVFGFI-LLVKDONJSA-N 1 0 255.308 3.178 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H](Oc3ncccc3C)C2)c1 ZINC001140624466 804478252 /nfs/dbraw/zinc/47/82/52/804478252.db2.gz XTWFHOWRGXWUGJ-INIZCTEOSA-N 1 0 298.386 3.057 20 10 CGCDRO Cc1c(O)ccc(C[N@@H+]2CCCc3ccccc3C2)c1O ZINC001140749360 804504011 /nfs/dbraw/zinc/50/40/11/804504011.db2.gz WVNKIIYDLABQDY-UHFFFAOYSA-N 1 0 283.371 3.355 20 10 CGCDRO CO[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2Cl)[C@H](C)C1 ZINC001140927517 804550636 /nfs/dbraw/zinc/55/06/36/804550636.db2.gz SWFCOBINNGCTQN-DOMZBBRYSA-N 1 0 296.842 3.405 20 10 CGCDRO CC(=O)[C@H]1CCCCN1Cc1ccc(N(C)C)cc1Cl ZINC001140924645 804550866 /nfs/dbraw/zinc/55/08/66/804550866.db2.gz KGSUNOFMUQDNRE-MRXNPFEDSA-N 1 0 294.826 3.350 20 10 CGCDRO CN(C)c1ccc(C[NH+]2CC3CC(C3)C2)c(Cl)c1 ZINC001140926669 804551232 /nfs/dbraw/zinc/55/12/32/804551232.db2.gz POABSMVNZLPZGM-UHFFFAOYSA-N 1 0 264.800 3.248 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCCC[C@@H]2CN2CCCC2)c(O)c1 ZINC001140949893 804556243 /nfs/dbraw/zinc/55/62/43/804556243.db2.gz OPMJSKFKZXJIGC-QGZVFWFLSA-N 1 0 288.435 3.151 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCC(=O)[C@@H]3CCCC[C@H]32)c(O)c1 ZINC001140948689 804556532 /nfs/dbraw/zinc/55/65/32/804556532.db2.gz VSAHRZPKCDXNCT-HUUCEWRRSA-N 1 0 273.376 3.034 20 10 CGCDRO Cc1ccc(C[N@@H+]2CC[C@@H](Oc3ccccc3)C2)c(O)c1 ZINC001140949466 804556624 /nfs/dbraw/zinc/55/66/24/804556624.db2.gz BOPILAXCKLYCND-QGZVFWFLSA-N 1 0 283.371 3.354 20 10 CGCDRO Cc1ccc(C[NH+]2CCC(Oc3ccccn3)CC2)c(O)c1 ZINC001140949714 804556785 /nfs/dbraw/zinc/55/67/85/804556785.db2.gz JGTDAWNZZCPPFV-UHFFFAOYSA-N 1 0 298.386 3.139 20 10 CGCDRO CCOC(=O)C[N@H+](Cc1ccc(C)cc1O)C1CCCC1 ZINC001140954295 804558361 /nfs/dbraw/zinc/55/83/61/804558361.db2.gz OWWSEXFUQVCTLI-UHFFFAOYSA-N 1 0 291.391 3.008 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H]3CCC[C@H]3C2)c(OC)c1 ZINC001141026663 804572882 /nfs/dbraw/zinc/57/28/82/804572882.db2.gz YOFMRVQRAZBVIE-STQMWFEESA-N 1 0 291.391 3.031 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)C[C@@H]1F ZINC001141074533 804584681 /nfs/dbraw/zinc/58/46/81/804584681.db2.gz LBUVUPVCDBTFJU-DYVFJYSZSA-N 1 0 288.410 3.175 20 10 CGCDRO FC(F)C1C[NH+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141078707 804585872 /nfs/dbraw/zinc/58/58/72/804585872.db2.gz FTTPJDSVTHWMLF-UHFFFAOYSA-N 1 0 292.373 3.082 20 10 CGCDRO C[NH2+][C@H](C)c1nc(-c2ccc(-n3c(C)ccc3C)cc2)no1 ZINC001247489490 804749056 /nfs/dbraw/zinc/74/90/56/804749056.db2.gz ARWXWYBQLHFAEX-CYBMUJFWSA-N 1 0 296.374 3.425 20 10 CGCDRO CCC[N@H+](Cc1ccccc1)Cc1c(O)cc(O)cc1O ZINC001144509031 804997808 /nfs/dbraw/zinc/99/78/08/804997808.db2.gz IGVQTLRJWPHKGW-UHFFFAOYSA-N 1 0 287.359 3.216 20 10 CGCDRO Cc1cc(C)c(C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)c(O)c1 ZINC001257083344 807046831 /nfs/dbraw/zinc/04/68/31/807046831.db2.gz HCOIFPPLZMUPPP-BTTYYORXSA-N 1 0 263.381 3.055 20 10 CGCDRO Cc1cc(C[NH+]2CC3CC(C3)C2)c(O)cc1Br ZINC001250132683 805433333 /nfs/dbraw/zinc/43/33/33/805433333.db2.gz CPJGFVACFNXTTD-UHFFFAOYSA-N 1 0 296.208 3.305 20 10 CGCDRO COc1ccc(N2CC[NH+](C3CCCCC3)CC2)c(C)c1 ZINC001257461506 807168255 /nfs/dbraw/zinc/16/82/55/807168255.db2.gz SRXVJGJXCIBPAO-UHFFFAOYSA-N 1 0 288.435 3.458 20 10 CGCDRO C[C@@H](Cc1cccnc1)[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC001258634203 807519652 /nfs/dbraw/zinc/51/96/52/807519652.db2.gz PHBBBUYBVWMNDI-HNNXBMFYSA-N 1 0 283.419 3.211 20 10 CGCDRO CCCCC[C@@H](CCC)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001258661600 807528822 /nfs/dbraw/zinc/52/88/22/807528822.db2.gz TYNPEZDXNDSGRN-RHSMWYFYSA-N 1 0 295.423 3.470 20 10 CGCDRO CC(C)C1CCC([NH2+]CCc2ccc(O)c(O)c2)CC1 ZINC001258799308 807620637 /nfs/dbraw/zinc/62/06/37/807620637.db2.gz QCSIFJMMLPFMPF-UHFFFAOYSA-N 1 0 277.408 3.445 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC001261201548 807714436 /nfs/dbraw/zinc/71/44/36/807714436.db2.gz GLFQIKOLHMHYAD-XUJVJEKNSA-N 1 0 297.402 3.119 20 10 CGCDRO CN(c1ccc(OC(F)(F)C(F)F)cc1)C(C)(C)C[NH3+] ZINC001170059229 807743495 /nfs/dbraw/zinc/74/34/95/807743495.db2.gz QDRBLTRGRGSMHQ-UHFFFAOYSA-N 1 0 294.292 3.097 20 10 CGCDRO Nc1ccc(C[N@H+](CCCO)[C@@H]2CCc3ccccc32)cc1 ZINC001262488289 807867801 /nfs/dbraw/zinc/86/78/01/807867801.db2.gz XCXXRPDJUQFTNL-LJQANCHMSA-N 1 0 296.414 3.141 20 10 CGCDRO COc1ccc([C@H](C)[N@H+](C)Cc2ccc(N)cc2)cc1 ZINC001262486980 807867902 /nfs/dbraw/zinc/86/79/02/807867902.db2.gz GOFXSMFXJHPPQW-ZDUSSCGKSA-N 1 0 270.376 3.470 20 10 CGCDRO CC(C)(C)[C@H]1OCCC[C@@H]1C[NH2+]Cc1ccc(N)cc1 ZINC001262488318 807868154 /nfs/dbraw/zinc/86/81/54/807868154.db2.gz YFYURBKARSLKBU-ZBFHGGJFSA-N 1 0 276.424 3.200 20 10 CGCDRO Oc1ccccc1C[NH2+][C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171448190 808059990 /nfs/dbraw/zinc/05/99/90/808059990.db2.gz JVQCFICCVDQONH-AWEZNQCLSA-N 1 0 289.325 3.318 20 10 CGCDRO COc1ccc(C[NH2+][C@H](C)CCC(=O)OC(C)C)cc1C ZINC001172744795 808427176 /nfs/dbraw/zinc/42/71/76/808427176.db2.gz FKHCSZDJDYBDIL-CQSZACIVSA-N 1 0 293.407 3.214 20 10 CGCDRO Cc1c[nH+]ccc1Nc1ccc(C(F)(F)F)cc1O ZINC001174539118 809071083 /nfs/dbraw/zinc/07/10/83/809071083.db2.gz DULXAZQQFJJVGU-UHFFFAOYSA-N 1 0 268.238 3.280 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)cc1F ZINC001179228974 809909505 /nfs/dbraw/zinc/90/95/05/809909505.db2.gz XZJHADRNJCCCSQ-VHDGCEQUSA-N 1 0 276.399 3.418 20 10 CGCDRO COC(=O)C[C@H]1CCC[N@@H+]1Cc1cc(C(C)C)ccc1O ZINC001180091937 809973460 /nfs/dbraw/zinc/97/34/60/809973460.db2.gz HBYLVYPOAAXRAQ-OAHLLOKOSA-N 1 0 291.391 3.043 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]C/C=C/c1ccccc1 ZINC001180332873 809994592 /nfs/dbraw/zinc/99/45/92/809994592.db2.gz WBTKUHOCRXKMRX-QPJJXVBHSA-N 1 0 257.308 3.334 20 10 CGCDRO COc1cc(C)c(C[NH2+]CC[C@H]2CCO[C@H](C)C2)c(O)c1 ZINC001180810624 810023052 /nfs/dbraw/zinc/02/30/52/810023052.db2.gz NWOSKCUAUQXSMT-KGLIPLIRSA-N 1 0 293.407 3.004 20 10 CGCDRO CC(C)(C[NH2+]Cc1ccc(Cl)cc1[O-])C[NH+]1CCCC1 ZINC001181428167 810052360 /nfs/dbraw/zinc/05/23/60/810052360.db2.gz TXVBSMOAWLWRBZ-UHFFFAOYSA-N 1 0 296.842 3.257 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CC[C@H](C3CC3)O2)cc1Cl ZINC001184055907 810175709 /nfs/dbraw/zinc/17/57/09/810175709.db2.gz OAANPFYSCWVXSM-XJKSGUPXSA-N 1 0 295.810 3.401 20 10 CGCDRO COc1ccc(N(C)C[C@H]2CCCC[N@@H+]2C(C)C)cc1 ZINC001195810970 811295160 /nfs/dbraw/zinc/29/51/60/811295160.db2.gz WYQGBPMZKBUZQG-MRXNPFEDSA-N 1 0 276.424 3.394 20 10 CGCDRO Cc1nc([C@H]2CCCN2Cc2ccc(N(C)C)cc2)[nH]c1C ZINC001197709860 811447482 /nfs/dbraw/zinc/44/74/82/811447482.db2.gz AMIWYAQYEFEXHW-QGZVFWFLSA-N 1 0 298.434 3.430 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCO[C@H](C(C)(C)C)CC2)cc1 ZINC001198799569 811543647 /nfs/dbraw/zinc/54/36/47/811543647.db2.gz BOWDXTWDCCJAGV-KRWDZBQOSA-N 1 0 290.451 3.390 20 10 CGCDRO CC[C@H](C)[C@@H](C[NH2+]Cc1ccc2c(c1)CCCO2)OC ZINC001202496121 812108588 /nfs/dbraw/zinc/10/85/88/812108588.db2.gz VNLUYQDYGXFWOF-SUMWQHHRSA-N 1 0 277.408 3.162 20 10 CGCDRO Oc1ccccc1C[NH+]1CCC2(CC[C@H](F)C2)CC1 ZINC001203558707 812392196 /nfs/dbraw/zinc/39/21/96/812392196.db2.gz XFVYSYOZHXPYTC-AWEZNQCLSA-N 1 0 263.356 3.496 20 10 CGCDRO Oc1cccc(C2CC[NH+](Cc3ccccc3O)CC2)c1 ZINC001203560864 812392813 /nfs/dbraw/zinc/39/28/13/812392813.db2.gz IIWWOQFDSGZYLJ-UHFFFAOYSA-N 1 0 283.371 3.477 20 10 CGCDRO Cc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(O)c(O)c2)cn1 ZINC001203878570 812478484 /nfs/dbraw/zinc/47/84/84/812478484.db2.gz CUVNVCFOZBVQPO-HNNXBMFYSA-N 1 0 284.359 3.138 20 10 CGCDRO Oc1ccc(C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)cc1O ZINC001203882745 812479796 /nfs/dbraw/zinc/47/97/96/812479796.db2.gz UFEBPNQCWJKLGV-AWEZNQCLSA-N 1 0 287.334 3.226 20 10 CGCDRO C[N@H+](CCc1ccccc1Cl)Cc1ccc(O)c(O)c1 ZINC001203882658 812479816 /nfs/dbraw/zinc/47/98/16/812479816.db2.gz PIDATIBTZHJGAL-UHFFFAOYSA-N 1 0 291.778 3.426 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC(=O)[C@H]3CCCC[C@H]32)cc1 ZINC001203930547 812494267 /nfs/dbraw/zinc/49/42/67/812494267.db2.gz YIAYDIKBOGBNDQ-DLBZAZTESA-N 1 0 286.419 3.086 20 10 CGCDRO C[C@@H]1COCC[N@H+](Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001204233569 812579688 /nfs/dbraw/zinc/57/96/88/812579688.db2.gz RPMRTGZEHFDZQO-HNNXBMFYSA-N 1 0 298.430 3.374 20 10 CGCDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2cc(F)c(F)cc2[O-])C1(C)C ZINC001204235799 812581132 /nfs/dbraw/zinc/58/11/32/812581132.db2.gz DGMBNSFKFUXTCW-LSDHHAIUSA-N 1 0 299.361 3.306 20 10 CGCDRO CC(=O)[C@H]1CC[N@@H+](Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001204240060 812581432 /nfs/dbraw/zinc/58/14/32/812581432.db2.gz HAMUZWIPKIZPRV-HNNXBMFYSA-N 1 0 296.414 3.317 20 10 CGCDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2cc(F)c(F)cc2[O-])C1(C)C ZINC001204235797 812581854 /nfs/dbraw/zinc/58/18/54/812581854.db2.gz DGMBNSFKFUXTCW-GJZGRUSLSA-N 1 0 299.361 3.306 20 10 CGCDRO COc1ccc([C@@H](C)[N@H+](C)Cc2ccc(O)cc2O)cc1 ZINC001204278893 812594387 /nfs/dbraw/zinc/59/43/87/812594387.db2.gz MEJODFUQUKRHFR-GFCCVEGCSA-N 1 0 287.359 3.299 20 10 CGCDRO CCC1(O)CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204322160 812612698 /nfs/dbraw/zinc/61/26/98/812612698.db2.gz PBFXCQIUDXHUEN-UHFFFAOYSA-N 1 0 288.435 3.024 20 10 CGCDRO Cc1cc(C[N@@H+]2CCc3cccc(O)c3C2)oc1C ZINC001204539116 812671495 /nfs/dbraw/zinc/67/14/95/812671495.db2.gz MFNGNBMFGYVLTB-UHFFFAOYSA-N 1 0 257.333 3.160 20 10 CGCDRO C[C@H]1C[N@H+](C/C=C/c2ccc(N(C)C)cc2)C[C@H]1C ZINC001204769893 812730991 /nfs/dbraw/zinc/73/09/91/812730991.db2.gz XJNNIFHWDPQTMI-FKZIUMHTSA-N 1 0 258.409 3.354 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(C[N@H+](C)CCF)cc1 ZINC001209520274 814072873 /nfs/dbraw/zinc/07/28/73/814072873.db2.gz SVTNUGLUXJIHPA-UHFFFAOYSA-N 1 0 260.356 3.495 20 10 CGCDRO C[NH+](C)Cc1cccc(Nc2cccc(O)c2O)c1F ZINC001216231097 815748004 /nfs/dbraw/zinc/74/80/04/815748004.db2.gz ADOKPNONZBRHIY-UHFFFAOYSA-N 1 0 276.311 3.042 20 10 CGCDRO CC(C)[N@@H+]1CCC[C@H](Oc2ccc(N(C)C)cc2)C1 ZINC001227938688 817758947 /nfs/dbraw/zinc/75/89/47/817758947.db2.gz CPOPWZUCXQGQPT-INIZCTEOSA-N 1 0 262.397 3.004 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2c(O)ccc3ccccc32)C[C@@H]1F ZINC001231587541 818130189 /nfs/dbraw/zinc/13/01/89/818130189.db2.gz FGKRKHIDVCATER-ABAIWWIYSA-N 1 0 259.324 3.335 20 10 CGCDRO COc1cc(C[NH+]2CCC3(CCCC3)CC2)c(O)cc1O ZINC001231633000 818143740 /nfs/dbraw/zinc/14/37/40/818143740.db2.gz HKOUACRNNVAEKN-UHFFFAOYSA-N 1 0 291.391 3.263 20 10 CGCDRO Cc1cc(C)c(C[N@@H+]2CCn3cccc3[C@@H]2C)c(O)c1 ZINC001231848695 818187649 /nfs/dbraw/zinc/18/76/49/818187649.db2.gz JMWHPTOUUINVDG-AWEZNQCLSA-N 1 0 270.376 3.387 20 10 CGCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H](C)C[C@H]1C ZINC001231853790 818188406 /nfs/dbraw/zinc/18/84/06/818188406.db2.gz RITHOMNHNTYPME-ZIAGYGMSSA-N 1 0 276.424 3.382 20 10 CGCDRO Cc1cc(O)c(C[NH+]2CC(c3cccnc3)C2)cc1Cl ZINC001231870384 818194625 /nfs/dbraw/zinc/19/46/25/818194625.db2.gz XIIUYUOIDKSGCA-UHFFFAOYSA-N 1 0 288.778 3.348 20 10 CGCDRO COCC[N@H+](Cc1cc(Cl)c(C)cc1O)C(C)C ZINC001231871069 818194707 /nfs/dbraw/zinc/19/47/07/818194707.db2.gz XUEMRRWHNRYLPG-UHFFFAOYSA-N 1 0 271.788 3.211 20 10 CGCDRO C[C@@H]1CN(C)[C@@H](C)C[N@@H+]1Cc1ccc2ccccc2c1O ZINC001231878842 818197033 /nfs/dbraw/zinc/19/70/33/818197033.db2.gz QPZSHAJFGBVFNT-UONOGXRCSA-N 1 0 284.403 3.070 20 10 CGCDRO C[C@H]1C[N@H+](Cc2ccc3ccccc3c2O)CCCC1=O ZINC001231879341 818200228 /nfs/dbraw/zinc/20/02/28/818200228.db2.gz BXMNJPGJXYALBH-ZDUSSCGKSA-N 1 0 283.371 3.346 20 10 CGCDRO Oc1cc(O)c(C[NH+]2CC3(C2)CCCC3)cc1Cl ZINC001232257825 818295437 /nfs/dbraw/zinc/29/54/37/818295437.db2.gz JXLUYVGVCMHXCK-UHFFFAOYSA-N 1 0 267.756 3.127 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CCC3(CC3)C2)cc1Cl ZINC001232266200 818296805 /nfs/dbraw/zinc/29/68/05/818296805.db2.gz KHHYOFNTRGKUJI-UHFFFAOYSA-N 1 0 267.756 3.040 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H]2C)cc1Cl ZINC001232264909 818298790 /nfs/dbraw/zinc/29/87/90/818298790.db2.gz OJPJHCJUSCJPPM-SECBINFHSA-N 1 0 255.745 3.039 20 10 CGCDRO CCCCC[N@H+](C)Cc1ccc(N(C)C)cc1O ZINC001232835139 818451906 /nfs/dbraw/zinc/45/19/06/818451906.db2.gz XBMLJAJDAIMLBO-UHFFFAOYSA-N 1 0 250.386 3.080 20 10 CGCDRO Oc1cc(C[N@@H+]2CC[C@H](C3CCCCC3)C2)cc(O)c1O ZINC001233017557 818502917 /nfs/dbraw/zinc/50/29/17/818502917.db2.gz XHIRVHMPYNXZAL-AWEZNQCLSA-N 1 0 291.391 3.206 20 10 CGCDRO CC(C)(C)c1ccc(O)c(C[NH+]2CCC(C)(O)CC2)c1 ZINC001233284090 818565513 /nfs/dbraw/zinc/56/55/13/818565513.db2.gz HVRJMKGLLMPRKX-UHFFFAOYSA-N 1 0 277.408 3.037 20 10 CGCDRO C[C@H]1COCC[N@H+](Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001233283998 818565746 /nfs/dbraw/zinc/56/57/46/818565746.db2.gz DLIHIMDGBYENAO-CYBMUJFWSA-N 1 0 277.408 3.158 20 10 CGCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CCOCC2(C)C)c1 ZINC001233286489 818567086 /nfs/dbraw/zinc/56/70/86/818567086.db2.gz WEXMHRWADLZTAD-UHFFFAOYSA-N 1 0 277.408 3.301 20 10 CGCDRO C[N@H+](Cc1ccccc1O)Cc1ccc(N)cc1Cl ZINC001233376925 818603267 /nfs/dbraw/zinc/60/32/67/818603267.db2.gz HKMRUQLFMSCBIL-UHFFFAOYSA-N 1 0 276.767 3.260 20 10 CGCDRO COC[C@@H]1CCC[N@@H+]1Cc1ccc(C(F)(F)F)cc1O ZINC001233451895 818623316 /nfs/dbraw/zinc/62/33/16/818623316.db2.gz CTBXDJHUSODJOO-LBPRGKRZSA-N 1 0 289.297 3.022 20 10 CGCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@@H]2C2CCCCC2)cc1O ZINC001233486612 818624956 /nfs/dbraw/zinc/62/49/56/818624956.db2.gz UPEFWWKIMZBGKU-CQSZACIVSA-N 1 0 291.391 3.348 20 10 CGCDRO CC[C@@H]1c2ccccc2CC[N@H+]1Cc1cc(O)c(O)cc1O ZINC001233486592 818625805 /nfs/dbraw/zinc/62/58/05/818625805.db2.gz TVOAJKRMPAVLMQ-OAHLLOKOSA-N 1 0 299.370 3.313 20 10 CGCDRO Cc1cc(CN2CC[C@]3(CC[NH2+]3)C2)c(C)n1-c1ccccc1 ZINC001235065627 818993529 /nfs/dbraw/zinc/99/35/29/818993529.db2.gz MVZSWMUYKHIOFH-LJQANCHMSA-N 1 0 295.430 3.032 20 10 CGCDRO Cc1cc(CN2CC[C@H]3[NH2+]CC[C@H]32)c(C)n1-c1ccccc1 ZINC001235077743 818995841 /nfs/dbraw/zinc/99/58/41/818995841.db2.gz OGPVHGBLCKMWAS-RTBURBONSA-N 1 0 295.430 3.030 20 10 CGCDRO Oc1c(CN2CCCC[C@@]23CC[NH2+]C3)ccc2ccccc21 ZINC001235116684 819010498 /nfs/dbraw/zinc/01/04/98/819010498.db2.gz HAUCOLVINZUMHW-IBGZPJMESA-N 1 0 296.414 3.263 20 10 CGCDRO Cc1cc(CN2CC[C@H]3[NH2+]CC[C@@H]32)c(C)n1-c1ccccc1 ZINC001235235614 819043380 /nfs/dbraw/zinc/04/33/80/819043380.db2.gz OGPVHGBLCKMWAS-MOPGFXCFSA-N 1 0 295.430 3.030 20 10 CGCDRO CCN1CCC[N@H+](Cc2ccc(C(C)(C)C)cc2O)CC1 ZINC001235676782 819136380 /nfs/dbraw/zinc/13/63/80/819136380.db2.gz UUUSIFMKFHMANF-UHFFFAOYSA-N 1 0 290.451 3.217 20 10 CGCDRO C[NH2+][C@@H]1CCN(Cc2cc(Cl)c(C(C)(C)C)cc2O)C1 ZINC001235831919 819179680 /nfs/dbraw/zinc/17/96/80/819179680.db2.gz QCHLVGXFGXKLFS-GFCCVEGCSA-N 1 0 296.842 3.137 20 10 CGCDRO CC(C)(C)c1ccc(O)c(CN2CC3(C2)CCCC[NH2+]3)c1 ZINC001235921192 819222356 /nfs/dbraw/zinc/22/23/56/819222356.db2.gz FAPFUYYZXXGMGI-UHFFFAOYSA-N 1 0 288.435 3.018 20 10 CGCDRO Nc1ccc(C[N@@H+]2CCC[C@@H](OCc3ccccc3)C2)cc1 ZINC001235958646 819246297 /nfs/dbraw/zinc/24/62/97/819246297.db2.gz OTVMAOFVADSIDU-LJQANCHMSA-N 1 0 296.414 3.450 20 10 CGCDRO CCCC[C@@H]1CN(Cc2cc(Cl)ccc2O)CC[NH2+]1 ZINC001236138322 819339104 /nfs/dbraw/zinc/33/91/04/819339104.db2.gz HHLOBFLAHVIXJY-CQSZACIVSA-N 1 0 282.815 3.010 20 10 CGCDRO CCCC[C@H]1CN(Cc2c(O)cccc2Cl)CC[NH2+]1 ZINC001236138245 819339254 /nfs/dbraw/zinc/33/92/54/819339254.db2.gz QAYSOGHVWCTEST-LBPRGKRZSA-N 1 0 282.815 3.010 20 10 CGCDRO CCC[C@H]1CN(Cc2ccc(C(C)C)cc2O)CC[NH2+]1 ZINC001236179284 819358075 /nfs/dbraw/zinc/35/80/75/819358075.db2.gz OSNYITVDDZOEOJ-INIZCTEOSA-N 1 0 276.424 3.090 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(CN2CCC[C@@H]2C[NH3+])cc1 ZINC001236242815 819401495 /nfs/dbraw/zinc/40/14/95/819401495.db2.gz KEFVEAHWTIXIGN-GOSISDBHSA-N 1 0 283.419 3.017 20 10 CGCDRO CCc1ccc(C[N@H+](C)CC2CC(F)(F)C2)c(O)c1 ZINC001236794728 819596499 /nfs/dbraw/zinc/59/64/99/819596499.db2.gz OBJWCLMHNFFEFH-UHFFFAOYSA-N 1 0 269.335 3.432 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](OC(C)C)C2)c(Cl)c1 ZINC001236807464 819602301 /nfs/dbraw/zinc/60/23/01/819602301.db2.gz GVTMUKSQZHCZRE-NSHDSACASA-N 1 0 299.798 3.054 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CCC[C@H](C(F)F)C2)c(O)c1 ZINC001236811660 819603871 /nfs/dbraw/zinc/60/38/71/819603871.db2.gz VGOLDFFLFRCYGH-NSHDSACASA-N 1 0 285.334 3.186 20 10 CGCDRO CC[C@H]1CCCC[N@@H+]1Cc1c(C)cc(OC)cc1O ZINC001236810419 819604016 /nfs/dbraw/zinc/60/40/16/819604016.db2.gz GFUAXVMWNKMUTR-ZDUSSCGKSA-N 1 0 263.381 3.474 20 10 CGCDRO CC[C@@H]1CCCC[N@@H+]1Cc1c(C)cc(OC)cc1O ZINC001236810418 819604305 /nfs/dbraw/zinc/60/43/05/819604305.db2.gz GFUAXVMWNKMUTR-CYBMUJFWSA-N 1 0 263.381 3.474 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CC[C@H]3CCC[C@@H]3C2)c(O)c1 ZINC001236808711 819604421 /nfs/dbraw/zinc/60/44/21/819604421.db2.gz RIIITRUQZYEKET-ZIAGYGMSSA-N 1 0 275.392 3.331 20 10 CGCDRO C[N@@H+](Cc1cc2ccccc2cc1O)CC1CCOCC1 ZINC001236827136 819610602 /nfs/dbraw/zinc/61/06/02/819610602.db2.gz PVGONJQQAMDQJI-UHFFFAOYSA-N 1 0 285.387 3.404 20 10 CGCDRO CCC[N@@H+](Cc1ccc2ccccc2c1O)C[C@@H]1CC[NH2+]C1 ZINC001236843514 819618741 /nfs/dbraw/zinc/61/87/41/819618741.db2.gz PHKHHAGXSLWMBO-OAHLLOKOSA-N 1 0 298.430 3.367 20 10 CGCDRO CC(C)c1ccc(C[N@H+]2C[C@@H](C)N(C)[C@@H](C)C2)c(O)c1 ZINC001237048960 819652424 /nfs/dbraw/zinc/65/24/24/819652424.db2.gz KDUCGTCIIHHCEY-OKILXGFUSA-N 1 0 276.424 3.040 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2CCC[C@H]3CN(C)C[C@H]32)c(O)c1 ZINC001237050014 819652955 /nfs/dbraw/zinc/65/29/55/819652955.db2.gz VSBPOUDSAHHRKW-DOTOQJQBSA-N 1 0 288.435 3.042 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)c(O)c1 ZINC001237048163 819653069 /nfs/dbraw/zinc/65/30/69/819653069.db2.gz BCQWGOZLPCKWBC-SOUVJXGZSA-N 1 0 263.356 3.305 20 10 CGCDRO CC[N@H+](C)C1CCN(Cc2ccc(C(C)C)cc2O)CC1 ZINC001237054713 819654836 /nfs/dbraw/zinc/65/48/36/819654836.db2.gz DZOCLRHONAFJDV-UHFFFAOYSA-N 1 0 290.451 3.432 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2C[C@H]3CCCN(C)[C@H]3C2)c(O)c1 ZINC001237055808 819655197 /nfs/dbraw/zinc/65/51/97/819655197.db2.gz QGJSOIOETATQOQ-WBVHZDCISA-N 1 0 288.435 3.042 20 10 CGCDRO Oc1ccc(F)c(Cl)c1C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC001237127564 819673273 /nfs/dbraw/zinc/67/32/73/819673273.db2.gz CTVPAGPNDQQSQX-OAHLLOKOSA-N 1 0 299.773 3.187 20 10 CGCDRO CC1(C)C[NH+](Cc2cc(C(F)(F)F)ccc2O)C1 ZINC001237137922 819675291 /nfs/dbraw/zinc/67/52/91/819675291.db2.gz RQTVYESDSANDBP-UHFFFAOYSA-N 1 0 259.271 3.253 20 10 CGCDRO Nc1ccc(C[NH+]2CCC3(Cc4ccccc4N3)CC2)cc1 ZINC001237346960 819732412 /nfs/dbraw/zinc/73/24/12/819732412.db2.gz ZHGMWZOXQFRBPO-UHFFFAOYSA-N 1 0 293.414 3.272 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@](CF)(C(F)(F)F)C1 ZINC001237485772 819762011 /nfs/dbraw/zinc/76/20/11/819762011.db2.gz SHFCTIUURSMIEK-ZDUSSCGKSA-N 1 0 291.288 3.425 20 10 CGCDRO COC(=O)CC[N@H+](Cc1c(C)cccc1O)C1CCCC1 ZINC001237489665 819763481 /nfs/dbraw/zinc/76/34/81/819763481.db2.gz JPLFXDLZUVSKBX-UHFFFAOYSA-N 1 0 291.391 3.008 20 10 CGCDRO Cc1cccc(O)c1C[N@H+](C)C[C@@H]1Cc2ccccc2O1 ZINC001237490282 819764339 /nfs/dbraw/zinc/76/43/39/819764339.db2.gz CZRVXKISMXJHHA-HNNXBMFYSA-N 1 0 283.371 3.136 20 10 CGCDRO CCc1n[nH]cc1C[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001237650470 819796902 /nfs/dbraw/zinc/79/69/02/819796902.db2.gz HKFZUOITJHWSOY-UHFFFAOYSA-N 1 0 298.434 3.204 20 10 CGCDRO COc1cc(C[N@@H+]2CCCC[C@](C)(F)C2)c(O)c(OC)c1 ZINC001237669146 819804304 /nfs/dbraw/zinc/80/43/04/819804304.db2.gz JBXLEIOUDQQSPU-INIZCTEOSA-N 1 0 297.370 3.124 20 10 CGCDRO Cn1ccc2ccc(-c3cncc(C[NH+](C)C)c3)cc21 ZINC001240574977 821160696 /nfs/dbraw/zinc/16/06/96/821160696.db2.gz NASHVKCOIZSNNH-UHFFFAOYSA-N 1 0 265.360 3.302 20 10 CGCDRO COc1cccc(CNc2c(C)c[nH+]c3ccccc32)c1O ZINC001341730467 936449204 /nfs/dbraw/zinc/44/92/04/936449204.db2.gz SOHDETSONOYGLC-UHFFFAOYSA-N 1 0 294.354 3.291 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@@H]1CCc2n[nH]cc2C1 ZINC001342410181 936466260 /nfs/dbraw/zinc/46/62/60/936466260.db2.gz YQLALFQODXYNIM-UXIGCNINSA-N 1 0 297.402 3.119 20 10 CGCDRO Nc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H](O)c2ccccc2)cc1 ZINC001345159308 936804953 /nfs/dbraw/zinc/80/49/53/936804953.db2.gz FWQJRMPVQAMJMS-RTBURBONSA-N 1 0 296.414 3.357 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCC[C@@H](F)C1)c1cc(F)ccc1O ZINC001349313095 936946347 /nfs/dbraw/zinc/94/63/47/936946347.db2.gz CSOCVYVSIBNJAP-UMNHJUIQSA-N 1 0 255.308 3.463 20 10 CGCDRO CC[C@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)[C@H](C)CO1 ZINC001349536132 936951696 /nfs/dbraw/zinc/95/16/96/936951696.db2.gz UQGLPTGBXBRNTG-QAPCUYQASA-N 1 0 288.435 3.286 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]Cc1cc(N)ccn1 ZINC001350955168 937003965 /nfs/dbraw/zinc/00/39/65/937003965.db2.gz GXVREAVQCYMDSF-RISCZKNCSA-N 1 0 283.375 3.016 20 10 CGCDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2CSC2(C)C)cc1F ZINC001351511665 937017937 /nfs/dbraw/zinc/01/79/37/937017937.db2.gz SBHOPBNPZBTHGT-CYBMUJFWSA-N 1 0 286.391 3.014 20 10 CGCDRO COc1ccccc1[C@@H](C)[NH2+]Cc1ccc(N)cc1 ZINC001352790620 937049697 /nfs/dbraw/zinc/04/96/97/937049697.db2.gz SJJGPVNHCUUYDD-GFCCVEGCSA-N 1 0 256.349 3.128 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCCC[C@H]1OC)c1ccccc1O ZINC000274910565 928739605 /nfs/dbraw/zinc/73/96/05/928739605.db2.gz NBLYQJJSUAIGST-SQWLQELKSA-N 1 0 263.381 3.391 20 10 CGCDRO Cc1ccc(C)c(C[N@@H+]2CCC[C@@](C)(F)C2)c1O ZINC001140178424 931957215 /nfs/dbraw/zinc/95/72/15/931957215.db2.gz LHWGXPRXHYKONC-OAHLLOKOSA-N 1 0 251.345 3.333 20 10 CGCDRO Cc1cccc(CNc2ccc(C[NH+]3CCCC3)cn2)c1O ZINC001160770534 931984445 /nfs/dbraw/zinc/98/44/45/931984445.db2.gz YQRJFHSLVAXSPQ-UHFFFAOYSA-N 1 0 297.402 3.304 20 10 CGCDRO Cc1csc(C[NH2+]CCCSc2nccs2)n1 ZINC001461229921 937570950 /nfs/dbraw/zinc/57/09/50/937570950.db2.gz CQXIMYBKORDMHS-UHFFFAOYSA-N 1 0 285.463 3.180 20 10 CGCDRO CCC[C@H](C)[C@@H](CO)[NH2+]Cc1c(C)c2ccccc2n1C ZINC001461622251 937588902 /nfs/dbraw/zinc/58/89/02/937588902.db2.gz XSGYQOBOCQRPPS-XJKSGUPXSA-N 1 0 288.435 3.373 20 10 CGCDRO C[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC001461622081 937588921 /nfs/dbraw/zinc/58/89/21/937588921.db2.gz SJVNAQHOZJSJBA-SCLBCKFNSA-N 1 0 279.383 3.440 20 10 CGCDRO CC[C@@H](C[C@H](C)O)[NH2+]Cc1ccc(N(CC)CC)c(F)c1 ZINC001461704332 937593278 /nfs/dbraw/zinc/59/32/78/937593278.db2.gz FDYYCHBBZVHMFU-ZFWWWQNUSA-N 1 0 296.430 3.311 20 10 CGCDRO CC[C@H](C[C@H](C)O)[NH2+]Cc1ccc(N(CC)CC)c(F)c1 ZINC001461704327 937593376 /nfs/dbraw/zinc/59/33/76/937593376.db2.gz FDYYCHBBZVHMFU-DZGCQCFKSA-N 1 0 296.430 3.311 20 10 CGCDRO C[C@@H]1CC[N@H+](C/C=C/c2ccc(N(C)C)cc2)[C@H]1C ZINC001461884361 937603509 /nfs/dbraw/zinc/60/35/09/937603509.db2.gz AJFYWVWYNXMATK-MUHKLVGJSA-N 1 0 258.409 3.496 20 10 CGCDRO C[C@@H]1CC[N@H+](C/C=C/c2ccc(N(C)C)cc2)[C@@H]1C ZINC001461884365 937604123 /nfs/dbraw/zinc/60/41/23/937604123.db2.gz AJFYWVWYNXMATK-XEVLESSRSA-N 1 0 258.409 3.496 20 10 CGCDRO COc1cc(C)c(C[NH2+]C[C@H](C)c2nccs2)c(O)c1 ZINC001462060948 937615229 /nfs/dbraw/zinc/61/52/29/937615229.db2.gz CORQWXSYYCNDNW-NSHDSACASA-N 1 0 292.404 3.059 20 10 CGCDRO COc1ccc(C[N@@H+]2CC[C@H](C)C(C)(C)C2)c(O)c1OC ZINC001462060562 937615243 /nfs/dbraw/zinc/61/52/43/937615243.db2.gz NTVFWUYRHIWQID-LBPRGKRZSA-N 1 0 293.407 3.277 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)c1 ZINC001462504195 937646101 /nfs/dbraw/zinc/64/61/01/937646101.db2.gz KSZYPPFTWOCQJL-LALPHHSUSA-N 1 0 263.381 3.171 20 10 CGCDRO c1cc(CC[NH2+]Cc2ccc3c(c2)CCCO3)cs1 ZINC001308338096 933097414 /nfs/dbraw/zinc/09/74/14/933097414.db2.gz VEFBPYZZRSAPDN-UHFFFAOYSA-N 1 0 273.401 3.405 20 10 CGCDRO CCCN(Cc1ccc(O)c(F)c1)c1ccc(C[NH3+])cc1 ZINC001308738606 933167456 /nfs/dbraw/zinc/16/74/56/933167456.db2.gz AKTRUNDXMMMUNE-UHFFFAOYSA-N 1 0 288.366 3.407 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@]1(O)CCCC1(C)C ZINC001308782591 933174819 /nfs/dbraw/zinc/17/48/19/933174819.db2.gz PTPWMDHHBFGWCE-GOSISDBHSA-N 1 0 290.451 3.092 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CC[C@@H](OC)C1)c1ccc(C)cc1O ZINC001321075290 934146507 /nfs/dbraw/zinc/14/65/07/934146507.db2.gz UTVYSJGBDINPDS-NFAWXSAZSA-N 1 0 263.381 3.309 20 10 CGCDRO CN(C)c1cc(F)c(C[NH2+]CCCC(F)(F)F)cc1F ZINC001328689298 935159136 /nfs/dbraw/zinc/15/91/36/935159136.db2.gz MYBYYZRAYOISIF-UHFFFAOYSA-N 1 0 296.283 3.463 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C2(C3CC3)CCOCC2)cc1Cl ZINC001328743344 935164894 /nfs/dbraw/zinc/16/48/94/935164894.db2.gz MXIFQAZLTIFPOD-UHFFFAOYSA-N 1 0 295.810 3.403 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)cc1F ZINC001330209653 935276956 /nfs/dbraw/zinc/27/69/56/935276956.db2.gz ZNKKEYAYJLFDCX-UPJWGTAASA-N 1 0 298.352 3.415 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC001330354359 935286301 /nfs/dbraw/zinc/28/63/01/935286301.db2.gz MLVBERIZWVZIDQ-PGQYAMBOSA-N 1 0 299.414 3.262 20 10 CGCDRO Cc1nc(C[NH2+][C@H](C)c2ccccc2O)c(C)s1 ZINC001331144431 935353488 /nfs/dbraw/zinc/35/34/88/935353488.db2.gz NSMNJZSHCACLPB-SECBINFHSA-N 1 0 262.378 3.316 20 10 CGCDRO CC[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)C(C)(C)C ZINC001333001158 935504177 /nfs/dbraw/zinc/50/41/77/935504177.db2.gz SGBNRJNULZFIHA-UHFFFAOYSA-N 1 0 290.451 3.268 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC001333162478 935514759 /nfs/dbraw/zinc/51/47/59/935514759.db2.gz CFPDFYKLONZMTD-OPWYMKIUSA-N 1 0 287.403 3.406 20 10 CGCDRO CC(C)(C)c1cc(O)c(O)c(C[NH+]2CCC(F)CC2)c1 ZINC001333309471 935525277 /nfs/dbraw/zinc/52/52/77/935525277.db2.gz KHPYUWQBCXHKER-UHFFFAOYSA-N 1 0 281.371 3.329 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)c1O ZINC001333321999 935526032 /nfs/dbraw/zinc/52/60/32/935526032.db2.gz NXQNSZNERBEHSS-YGNMPJRFSA-N 1 0 297.345 3.485 20 10 CGCDRO CCOc1ccc(C[N@H+](C)Cc2ccc(N)cc2)cc1 ZINC001336116926 936176087 /nfs/dbraw/zinc/17/60/87/936176087.db2.gz HYNDZEOGFDPMOW-UHFFFAOYSA-N 1 0 270.376 3.300 20 10 CGCDRO Nc1ccc(C[N@@H+]2CCC[C@@H](OC3CCC3)CC2)cc1 ZINC001336284732 936186355 /nfs/dbraw/zinc/18/63/55/936186355.db2.gz CEFROZHSZWFQEU-QGZVFWFLSA-N 1 0 274.408 3.192 20 10 CGCDRO CS[C@H]1CC[C@H]([N@H+](C)Cc2ccccc2O)C1 ZINC001337074202 936234776 /nfs/dbraw/zinc/23/47/76/936234776.db2.gz ZAAOIWDOGHTUBR-STQMWFEESA-N 1 0 251.395 3.108 20 10 CGCDRO Oc1cccc(Br)c1C[NH2+][C@@H]1C[C@@H]2CCC[C@@H]12 ZINC001474295047 937849003 /nfs/dbraw/zinc/84/90/03/937849003.db2.gz WRKXGBINRJHWMK-OPQQBVKSSA-N 1 0 296.208 3.433 20 10 CGCDRO CC(C)[C@@H]1C[C@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC001474307888 937850249 /nfs/dbraw/zinc/85/02/49/937850249.db2.gz ZLKAHNAWSKCNOG-GXTWGEPZSA-N 1 0 250.361 3.026 20 10 CGCDRO CO[C@H](C)CC[NH2+]Cc1cc(C(C)C)ccc1O ZINC001474531865 937865409 /nfs/dbraw/zinc/86/54/09/937865409.db2.gz QWVMNCFTQLZLKW-GFCCVEGCSA-N 1 0 251.370 3.030 20 10 CGCDRO CCCN(C)CC(C)(C)[NH2+]Cc1ccc(N(C)C)cc1C ZINC001474642249 937872299 /nfs/dbraw/zinc/87/22/99/937872299.db2.gz WSSIWSCYVJPKQY-UHFFFAOYSA-N 1 0 291.483 3.271 20 10 CGCDRO CO[C@@H]1[C@H](C)[C@H]([NH2+]Cc2ccc(N(C)C)c(C)c2)C1(C)C ZINC001559847738 938237216 /nfs/dbraw/zinc/23/72/16/938237216.db2.gz ZRHSOZNGYGMBDF-XOKHGSTOSA-N 1 0 290.451 3.210 20 10 CGCDRO C[C@H]1CCC[C@@H]1[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001560323124 938253334 /nfs/dbraw/zinc/25/33/34/938253334.db2.gz GYGPEHGVHZDWNB-HZMBPMFUSA-N 1 0 268.351 3.309 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+][C@H]1CCOc2ccc(F)cc21 ZINC001560759199 938274413 /nfs/dbraw/zinc/27/44/13/938274413.db2.gz VKEILZLZRJHGLL-AWEZNQCLSA-N 1 0 291.297 3.284 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+][C@H]2CS[C@H](C)C2)c1 ZINC001560887752 938282091 /nfs/dbraw/zinc/28/20/91/938282091.db2.gz WWHJVWIYLNNYOQ-BXUZGUMPSA-N 1 0 265.422 3.499 20 10 CGCDRO C[C@@H]1CCc2ccccc2N1CC[NH2+]Cc1ccc(N)cc1 ZINC001576757720 962494102 /nfs/dbraw/zinc/49/41/02/962494102.db2.gz DQHWYNDPOLFEOS-OAHLLOKOSA-N 1 0 295.430 3.200 20 10 CGCDRO Cn1ccnc1C[N@H+](Cc1ccccc1O)C1CCCCC1 ZINC000070977250 345400095 /nfs/dbraw/zinc/40/00/95/345400095.db2.gz OQWHJEQTFHBNHB-UHFFFAOYSA-N 1 0 299.418 3.461 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@H](CCCO)c2ccccc2)cc1 ZINC000077467393 345573820 /nfs/dbraw/zinc/57/38/20/345573820.db2.gz DJWJAWVWSIYONE-LJQANCHMSA-N 1 0 298.430 3.356 20 10 CGCDRO COc1cccc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c1O ZINC000179951086 346254245 /nfs/dbraw/zinc/25/42/45/346254245.db2.gz BLGLTINAYNWCRK-LLVKDONJSA-N 1 0 289.297 3.175 20 10 CGCDRO C[C@@H](CCO)C1(C[NH2+][C@@H](C)c2cc(F)ccc2O)CCC1 ZINC000273445317 295867100 /nfs/dbraw/zinc/86/71/00/295867100.db2.gz DYCHITSDCHCCKS-STQMWFEESA-N 1 0 295.398 3.371 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(F)c(F)c1[O-] ZINC000187747670 299380910 /nfs/dbraw/zinc/38/09/10/299380910.db2.gz JBDAKRCSUUYBTF-TUAOUCFPSA-N 1 0 298.377 3.194 20 10 CGCDRO CC[C@H]([NH2+]C[C@H](C)Cn1ccnc1C)c1ccccc1O ZINC000124568215 370926127 /nfs/dbraw/zinc/92/61/27/370926127.db2.gz ZKPCEAXNLUIAGZ-BBRMVZONSA-N 1 0 287.407 3.274 20 10 CGCDRO CC(C)CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000020468553 368807487 /nfs/dbraw/zinc/80/74/87/368807487.db2.gz LGTFVTQEFGOMJV-AWEZNQCLSA-N 1 0 294.414 3.359 20 10 CGCDRO c1csc(CC[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000037362659 369083633 /nfs/dbraw/zinc/08/36/33/369083633.db2.gz OHRYMKVLHVWLLX-UHFFFAOYSA-N 1 0 259.374 3.015 20 10 CGCDRO C[N@@H+](Cc1ccccc1O)C[C@H](O)c1cccc(Cl)c1 ZINC000072629606 369830313 /nfs/dbraw/zinc/83/03/13/369830313.db2.gz MEZFAWXXCWXBLM-INIZCTEOSA-N 1 0 291.778 3.211 20 10 CGCDRO C[C@H]([NH2+][C@H](CO)CC1CCC1)c1cc(Cl)ccc1O ZINC000281272532 299408923 /nfs/dbraw/zinc/40/89/23/299408923.db2.gz XCPPHYNPTQOBRF-GWCFXTLKSA-N 1 0 283.799 3.247 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCO[C@H](c3ccco3)C2)cc1C ZINC000093841411 370165611 /nfs/dbraw/zinc/16/56/11/370165611.db2.gz WCPSXBQFDAFUCG-KRWDZBQOSA-N 1 0 287.359 3.176 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@]2(C)CCCS2)c1 ZINC000133937381 371289723 /nfs/dbraw/zinc/28/97/23/371289723.db2.gz DVAHRCSOMCDXAY-NHYWBVRUSA-N 1 0 281.421 3.337 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]CC1CCSCC1 ZINC000134610956 371354405 /nfs/dbraw/zinc/35/44/05/371354405.db2.gz UCHIWEXXKMWKJG-UHFFFAOYSA-N 1 0 271.813 3.278 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](CC)C1)c1cccc(Cl)c1[O-] ZINC000287573844 371674408 /nfs/dbraw/zinc/67/44/08/371674408.db2.gz GZJHLCPCULHVAZ-SWLSCSKDSA-N 1 0 296.842 3.428 20 10 CGCDRO Cc1cccc(CCC[NH2+][C@H](C)c2ccccc2O)n1 ZINC000287477012 371662459 /nfs/dbraw/zinc/66/24/59/371662459.db2.gz MQEGYKLQUPGSFL-CQSZACIVSA-N 1 0 270.376 3.379 20 10 CGCDRO CC(C)C[C@@H](CCO)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000154625822 371863717 /nfs/dbraw/zinc/86/37/17/371863717.db2.gz UFLHHZJXUIBSBJ-HZPDHXFCSA-N 1 0 292.467 3.448 20 10 CGCDRO CCOc1cccc(C[NH+]2C[C@H]3CCC[C@@H]3C2)c1O ZINC000156105848 371962686 /nfs/dbraw/zinc/96/26/86/371962686.db2.gz TZANRRYNBHTKAG-CHWSQXEVSA-N 1 0 261.365 3.023 20 10 CGCDRO CC[C@@H]([NH2+]CC[C@@H]1CCCCO1)c1ccccc1O ZINC000159573421 372157294 /nfs/dbraw/zinc/15/72/94/372157294.db2.gz ORUTXEWCRBWJFJ-DZGCQCFKSA-N 1 0 263.381 3.392 20 10 CGCDRO COCCCCC[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000293692866 372452787 /nfs/dbraw/zinc/45/27/87/372452787.db2.gz LASCTUZLZIUMOM-CQSZACIVSA-N 1 0 265.397 3.476 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCc2nccs2)c(O)c1 ZINC000293710432 372457475 /nfs/dbraw/zinc/45/74/75/372457475.db2.gz LWDVHMBKSMZNDH-LBPRGKRZSA-N 1 0 276.405 3.359 20 10 CGCDRO COc1cccc(C[NH2+]Cc2ccsc2C)c1O ZINC000293872546 372507823 /nfs/dbraw/zinc/50/78/23/372507823.db2.gz JEIWQXZDIJQKPR-UHFFFAOYSA-N 1 0 263.362 3.061 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CC2=CCCOC2)c(O)c1 ZINC000294471728 372655965 /nfs/dbraw/zinc/65/59/65/372655965.db2.gz WRHRGPHRQBJJGE-CYBMUJFWSA-N 1 0 261.365 3.006 20 10 CGCDRO CC[C@H]([NH2+]CCc1ncccc1C)c1ccccc1O ZINC000295140516 372696884 /nfs/dbraw/zinc/69/68/84/372696884.db2.gz ZRJWUPITLYGCNE-HNNXBMFYSA-N 1 0 270.376 3.379 20 10 CGCDRO Cc1nccnc1CC[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000295011198 372686557 /nfs/dbraw/zinc/68/65/57/372686557.db2.gz MTPIYDHTMMYVRR-SNVBAGLBSA-N 1 0 291.782 3.037 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](OC)C(C)(C)C2)c1 ZINC000295052968 372687709 /nfs/dbraw/zinc/68/77/09/372687709.db2.gz PPUFLWSVEGBNQO-INIZCTEOSA-N 1 0 293.407 3.038 20 10 CGCDRO COc1cc(O)c(C[NH2+]CC(C)(C)C2CCC2)cc1OC ZINC000295108725 372691847 /nfs/dbraw/zinc/69/18/47/372691847.db2.gz VVOJXLKCPQGTKN-UHFFFAOYSA-N 1 0 293.407 3.325 20 10 CGCDRO COc1ccc(F)c(C[N@H+](C)Cc2ccccc2O)c1 ZINC000295253072 372717350 /nfs/dbraw/zinc/71/73/50/372717350.db2.gz GEGUZPZLALOPEF-UHFFFAOYSA-N 1 0 275.323 3.172 20 10 CGCDRO COC1CCN(c2ccc(C[N@H+](C)CC3CC3)cc2)CC1 ZINC000295511098 372809619 /nfs/dbraw/zinc/80/96/19/372809619.db2.gz LNRGLEAHSDFZDB-UHFFFAOYSA-N 1 0 288.435 3.144 20 10 CGCDRO CCCCOCCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296064080 373010576 /nfs/dbraw/zinc/01/05/76/373010576.db2.gz RTXMMSDGOWUXHX-AWEZNQCLSA-N 1 0 263.381 3.176 20 10 CGCDRO COc1cccc(C[NH2+][C@@H]2CCc3cccc(O)c32)c1OC ZINC000296069584 373012962 /nfs/dbraw/zinc/01/29/62/373012962.db2.gz SCQAHAVDQXNQLQ-CQSZACIVSA-N 1 0 299.370 3.187 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2CCc3cccc(O)c32)cc1OC ZINC000296084080 373016877 /nfs/dbraw/zinc/01/68/77/373016877.db2.gz STPRWENAJOCLJE-AWEZNQCLSA-N 1 0 299.370 3.187 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCC(C)(C)CO)c(O)c1C ZINC000296493760 373153116 /nfs/dbraw/zinc/15/31/16/373153116.db2.gz OSMQZMXGOQXWLS-CYBMUJFWSA-N 1 0 265.397 3.068 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)c1ccc(C)c(C)c1O)[C@H](O)C(F)F ZINC000296493779 373153407 /nfs/dbraw/zinc/15/34/07/373153407.db2.gz OSTPPLCGUGGWNK-JKOKRWQUSA-N 1 0 287.350 3.064 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](C)CCCCO)cc1 ZINC000296450547 373139058 /nfs/dbraw/zinc/13/90/58/373139058.db2.gz MRZBKBDIVTWUTB-LSDHHAIUSA-N 1 0 278.440 3.344 20 10 CGCDRO CC(C)[C@@H]1C[C@@H]([NH2+][C@H]2CCc3cccc(O)c32)CCO1 ZINC000296711239 373226127 /nfs/dbraw/zinc/22/61/27/373226127.db2.gz IFSVSSGXIRZAAL-DZKIICNBSA-N 1 0 275.392 3.173 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CC[C@@H](C)CCO)cc1 ZINC000297195891 373261311 /nfs/dbraw/zinc/26/13/11/373261311.db2.gz FSRUXOXWVDPNBO-HUUCEWRRSA-N 1 0 278.440 3.202 20 10 CGCDRO C[C@H]([NH2+]CC(C)(C)c1ccccn1)c1ccccc1O ZINC000297275641 373263054 /nfs/dbraw/zinc/26/30/54/373263054.db2.gz KZEHABGCQOOIOI-ZDUSSCGKSA-N 1 0 270.376 3.416 20 10 CGCDRO COc1ccc(O)c(C[N@H+](C)[C@@H](C)c2ccco2)c1 ZINC000179682683 373905844 /nfs/dbraw/zinc/90/58/44/373905844.db2.gz QBVSCGOIBNVWJY-NSHDSACASA-N 1 0 261.321 3.187 20 10 CGCDRO Cc1cccc(C[NH2+][C@H]2CC(C)(C)OC2(C)C)c1O ZINC000181054378 374074336 /nfs/dbraw/zinc/07/43/36/374074336.db2.gz SHYGVUCTKUPCRA-ZDUSSCGKSA-N 1 0 263.381 3.136 20 10 CGCDRO CO[C@H](C)C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000182022131 374204614 /nfs/dbraw/zinc/20/46/14/374204614.db2.gz OIPRGPCFIXYCOM-OAHLLOKOSA-N 1 0 276.424 3.144 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1nccn1C ZINC000182684940 374315211 /nfs/dbraw/zinc/31/52/11/374315211.db2.gz VOFREIXQSICBAQ-INIZCTEOSA-N 1 0 298.434 3.043 20 10 CGCDRO C[C@@H]([NH2+]CCSC(F)(F)F)c1ccccc1O ZINC000183433992 374413967 /nfs/dbraw/zinc/41/39/67/374413967.db2.gz TVEDIOHMHNGNFM-MRVPVSSYSA-N 1 0 265.300 3.296 20 10 CGCDRO COc1cc(O)c(C[N@H+]([C@@H](C)C(C)C)C2CC2)cc1OC ZINC000183446481 374415293 /nfs/dbraw/zinc/41/52/93/374415293.db2.gz YYOWFQAUMDIQDI-LBPRGKRZSA-N 1 0 293.407 3.418 20 10 CGCDRO C[C@H]([NH2+]C[C@H](CCO)c1ccccc1)c1ccccc1O ZINC000183525493 374424862 /nfs/dbraw/zinc/42/48/62/374424862.db2.gz UUUNCKBOHOFDPQ-HOCLYGCPSA-N 1 0 285.387 3.209 20 10 CGCDRO C[C@H]([NH2+]CC1(CCO)CCCCC1)c1ccccc1O ZINC000183548261 374426587 /nfs/dbraw/zinc/42/65/87/374426587.db2.gz SHQZRAHTQDOMQK-AWEZNQCLSA-N 1 0 277.408 3.376 20 10 CGCDRO C[C@@H]([NH2+]CCc1ccc(Cl)nc1)c1cc(F)ccc1O ZINC000185751580 374730222 /nfs/dbraw/zinc/73/02/22/374730222.db2.gz ORPZFAKYOCIZGW-SNVBAGLBSA-N 1 0 294.757 3.473 20 10 CGCDRO CO[C@H](C)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000188127833 375163163 /nfs/dbraw/zinc/16/31/63/375163163.db2.gz VPMWKYAMRLOZNV-CABCVRRESA-N 1 0 276.424 3.362 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCOCC(C)C)c1 ZINC000020147278 295168328 /nfs/dbraw/zinc/16/83/28/295168328.db2.gz FRNXYAYMULVTJC-ZDUSSCGKSA-N 1 0 281.396 3.114 20 10 CGCDRO CCC[N@H+](Cc1cc(OC)ccn1)Cc1ccccc1O ZINC000266610383 378024594 /nfs/dbraw/zinc/02/45/94/378024594.db2.gz ZMYBZLPOLLUHIA-UHFFFAOYSA-N 1 0 286.375 3.208 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)c2cn[nH]c2)cc1F ZINC000270234274 378325669 /nfs/dbraw/zinc/32/56/69/378325669.db2.gz RCKNYXVYLDNCNO-GFCCVEGCSA-N 1 0 290.386 3.246 20 10 CGCDRO CCn1cc([C@H](C)[NH2+]Cc2ccc(N(C)C)c(C)c2)cn1 ZINC000271520227 378495959 /nfs/dbraw/zinc/49/59/59/378495959.db2.gz QBRXJXFKXRMHRA-AWEZNQCLSA-N 1 0 286.423 3.128 20 10 CGCDRO CC[C@@H]([NH2+]CCC[C@@H](C)CO)c1ccc(N(C)C)cc1 ZINC000271595017 378498721 /nfs/dbraw/zinc/49/87/21/378498721.db2.gz YUWGIOZMIVTPDL-RHSMWYFYSA-N 1 0 278.440 3.202 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H](O)c1ccccc1F)c1ccccc1O ZINC000271657365 378501184 /nfs/dbraw/zinc/50/11/84/378501184.db2.gz CONMPQFKBQPUFB-WBVHZDCISA-N 1 0 289.350 3.306 20 10 CGCDRO COC1(C)CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000272320607 378611791 /nfs/dbraw/zinc/61/17/91/378611791.db2.gz ANYBSLZCXPIIPN-UHFFFAOYSA-N 1 0 269.772 3.047 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H](O)CCc1ccccc1)c1ccccc1O ZINC000273193064 378737941 /nfs/dbraw/zinc/73/79/41/378737941.db2.gz HHDYOSPPWUVXNT-ZBFHGGJFSA-N 1 0 285.387 3.037 20 10 CGCDRO CO[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1ccc(C)cc1O ZINC000273618345 378757259 /nfs/dbraw/zinc/75/72/59/378757259.db2.gz YFWJGOFFYIJRGX-IVMMDQJWSA-N 1 0 263.381 3.309 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCO[C@@H](C)C2)c(O)c1C ZINC000273355721 378742553 /nfs/dbraw/zinc/74/25/53/378742553.db2.gz CMQFZRPXJKPZFR-UBHSHLNASA-N 1 0 263.381 3.227 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)CCc2ccccc2)c1 ZINC000273392505 378744291 /nfs/dbraw/zinc/74/42/91/378744291.db2.gz DTFWPPSMUQQUOZ-RDJZCZTQSA-N 1 0 299.414 3.345 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](CO)c2ccc(F)cc2)c1 ZINC000273452819 378748215 /nfs/dbraw/zinc/74/82/15/378748215.db2.gz GJIUOJATZQSXIL-LRDDRELGSA-N 1 0 289.350 3.224 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C2CCN(C3CCC3)CC2)c1 ZINC000273563033 378751787 /nfs/dbraw/zinc/75/17/87/378751787.db2.gz IRWCZZSWEHOBGU-AWEZNQCLSA-N 1 0 288.435 3.368 20 10 CGCDRO CO[C@@H](C)CC[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000273584362 378754234 /nfs/dbraw/zinc/75/42/34/378754234.db2.gz NJKUDUOGJOVERA-QWHCGFSZSA-N 1 0 277.408 3.347 20 10 CGCDRO COCC[C@@H](C)[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000273589381 378754763 /nfs/dbraw/zinc/75/47/63/378754763.db2.gz OVOVUHRKAGHSKI-DGCLKSJQSA-N 1 0 251.370 3.085 20 10 CGCDRO C[N@H+](CCCC1CCOCC1)Cc1ccccc1O ZINC000274187766 378788927 /nfs/dbraw/zinc/78/89/27/378788927.db2.gz HDGPNDOEGKFTFG-UHFFFAOYSA-N 1 0 263.381 3.031 20 10 CGCDRO Cc1ncsc1CC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000275040475 378929127 /nfs/dbraw/zinc/92/91/27/378929127.db2.gz XUXNGLAKHPRNEL-GFCCVEGCSA-N 1 0 289.448 3.411 20 10 CGCDRO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000373179472 379234612 /nfs/dbraw/zinc/23/46/12/379234612.db2.gz ZTJIIKWIPSTQAR-SFHVURJKSA-N 1 0 298.434 3.132 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CCCC3(CCC3)C2)c1 ZINC000375692588 379503648 /nfs/dbraw/zinc/50/36/48/379503648.db2.gz MORLOWKPFUVEIX-UHFFFAOYSA-N 1 0 261.365 3.167 20 10 CGCDRO CCOc1cccc(C[NH2+]CCCSCC)c1O ZINC000282171902 379866900 /nfs/dbraw/zinc/86/69/00/379866900.db2.gz YPPVLIUWKVEEGA-UHFFFAOYSA-N 1 0 269.410 3.024 20 10 CGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CCF)c1O ZINC000281213251 379824485 /nfs/dbraw/zinc/82/44/85/379824485.db2.gz ZBLQVCIRLAIIMN-MRVPVSSYSA-N 1 0 276.149 3.083 20 10 CGCDRO CCCC[N@H+](Cc1cc(C)no1)Cc1ccccc1O ZINC000282443972 379921939 /nfs/dbraw/zinc/92/19/39/379921939.db2.gz LFZSLFAIHMBNOJ-UHFFFAOYSA-N 1 0 274.364 3.491 20 10 CGCDRO CCCC[N@H+](Cc1cnn(CC)c1)Cc1ccccc1O ZINC000283155093 380040218 /nfs/dbraw/zinc/04/02/18/380040218.db2.gz XVYKDPQMUCBHLD-UHFFFAOYSA-N 1 0 287.407 3.411 20 10 CGCDRO Cc1ccc(O)c(C[NH+]2CCC3(CCOCC3)CC2)c1 ZINC000285233643 380146293 /nfs/dbraw/zinc/14/62/93/380146293.db2.gz SEWAMCSDILGOQE-UHFFFAOYSA-N 1 0 275.392 3.093 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCc3cn[nH]c32)c(O)c1C ZINC000363865388 382259323 /nfs/dbraw/zinc/25/93/23/382259323.db2.gz NDIWTQCLLHPRQC-IUODEOHRSA-N 1 0 285.391 3.460 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]C1(C2CC2)CCOCC1 ZINC000364061975 382262018 /nfs/dbraw/zinc/26/20/18/382262018.db2.gz FKXRUSCVLZFQPA-UHFFFAOYSA-N 1 0 281.783 3.094 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2CCc3nc[nH]c3C2)cc1 ZINC000368105563 382364021 /nfs/dbraw/zinc/36/40/21/382364021.db2.gz UDYAHSXMSPDCHZ-HIFRSBDPSA-N 1 0 298.434 3.074 20 10 CGCDRO C[C@@H]([NH2+][C@@H](CCO)C(C)(C)C)c1cc(Cl)ccc1O ZINC000185190821 262045271 /nfs/dbraw/zinc/04/52/71/262045271.db2.gz YQNXEEDYQKIODF-YGRLFVJLSA-N 1 0 285.815 3.493 20 10 CGCDRO Cc1ccc(O)c(C[N@H+]2CCS[C@H](C)[C@@H]2C)c1 ZINC000093501428 392237647 /nfs/dbraw/zinc/23/76/47/392237647.db2.gz JHTQHTICNUOPHV-NWDGAFQWSA-N 1 0 251.395 3.026 20 10 CGCDRO CC[N@H+](CCc1nccs1)Cc1ccc(N(C)C)cc1 ZINC000093764389 392239633 /nfs/dbraw/zinc/23/96/33/392239633.db2.gz OIQWDQHYYKUXNG-UHFFFAOYSA-N 1 0 289.448 3.274 20 10 CGCDRO Cc1cc(O)c(C[N@@H+](C(C)C)[C@H]2CCOC2)cc1C ZINC000291041339 392457156 /nfs/dbraw/zinc/45/71/56/392457156.db2.gz GDJSAIGAMULKOT-HNNXBMFYSA-N 1 0 263.381 3.008 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1CCOC[C@H]1C)c1ccc(N(C)C)cc1 ZINC000287462223 392398996 /nfs/dbraw/zinc/39/89/96/392398996.db2.gz LZHLXNTZWYNBPA-IJEWVQPXSA-N 1 0 276.424 3.076 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)[C@H]1CCOC1 ZINC000135213105 392474893 /nfs/dbraw/zinc/47/48/93/392474893.db2.gz CPZHQPVXFXKJAM-WBVHZDCISA-N 1 0 288.435 3.192 20 10 CGCDRO C[C@H]([NH2+]C[C@]1(C)CCO[C@H]1C1CC1)c1ccccc1O ZINC000372096214 392583316 /nfs/dbraw/zinc/58/33/16/392583316.db2.gz RHQDZMTWJRMABO-ZLIFDBKOSA-N 1 0 275.392 3.248 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)cc1C ZINC000372210369 392592759 /nfs/dbraw/zinc/59/27/59/392592759.db2.gz GKQKWUZPDLCPKR-MRXNPFEDSA-N 1 0 289.419 3.258 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CC2CCOCC2)cc1 ZINC000178279373 392676248 /nfs/dbraw/zinc/67/62/48/392676248.db2.gz PLOIRBFJESINFL-CQSZACIVSA-N 1 0 276.424 3.220 20 10 CGCDRO C[C@H](c1ccccn1)[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000178416834 392678740 /nfs/dbraw/zinc/67/87/40/392678740.db2.gz VEXWFXJADGPAQI-CQSZACIVSA-N 1 0 269.392 3.341 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2ccccc2O)C[C@H](c2ccccc2)O1 ZINC000179563356 392702245 /nfs/dbraw/zinc/70/22/45/392702245.db2.gz ALKRNGKTANWAHN-RDTXWAMCSA-N 1 0 283.371 3.354 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCn3cccc3[C@H]2C)c1 ZINC000179568254 392704019 /nfs/dbraw/zinc/70/40/19/392704019.db2.gz MZAVVPZUMQHOTP-CYBMUJFWSA-N 1 0 256.349 3.079 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCCC23CCOCC3)cc1C ZINC000281832852 393355137 /nfs/dbraw/zinc/35/51/37/393355137.db2.gz ABGMNANKOXUZDF-QGZVFWFLSA-N 1 0 289.419 3.448 20 10 CGCDRO COc1ccc(C[NH2+][C@H](C)c2ccccc2O)cc1OC ZINC000020122810 171003289 /nfs/dbraw/zinc/00/32/89/171003289.db2.gz ABBKEYSOPRTRRS-GFCCVEGCSA-N 1 0 287.359 3.260 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@H](C)CCC(C)C)c1 ZINC000020122993 171003416 /nfs/dbraw/zinc/00/34/16/171003416.db2.gz LWARFYNVDLTGFA-GFCCVEGCSA-N 1 0 251.370 3.315 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(OC)nc1)c1ccccc1O ZINC000020186332 171049858 /nfs/dbraw/zinc/04/98/58/171049858.db2.gz IKWLUWALDZTGPP-AWEZNQCLSA-N 1 0 272.348 3.037 20 10 CGCDRO CC[C@H]1CCC[N@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000037328875 173129823 /nfs/dbraw/zinc/12/98/23/173129823.db2.gz CREZWANYNBYZPR-LBPRGKRZSA-N 1 0 279.355 3.356 20 10 CGCDRO Fc1ccccc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000037362661 173151846 /nfs/dbraw/zinc/15/18/46/173151846.db2.gz VADAPOQXELAMOC-UHFFFAOYSA-N 1 0 257.308 3.050 20 10 CGCDRO c1cc(N2CCCCC2)ccc1C[NH2+]C[C@H]1CCCOC1 ZINC000038044445 174052149 /nfs/dbraw/zinc/05/21/49/174052149.db2.gz VNNTVWFVCLDHQC-QGZVFWFLSA-N 1 0 288.435 3.193 20 10 CGCDRO CCc1noc(CC)c1C[NH2+]Cc1c(O)cccc1Cl ZINC000152800208 261069469 /nfs/dbraw/zinc/06/94/69/261069469.db2.gz XYVZLXOFSBTZJT-UHFFFAOYSA-N 1 0 294.782 3.448 20 10 CGCDRO CC[C@@H]([NH2+]CCC(=O)OC(C)(C)C)c1ccccc1O ZINC000156001198 261111348 /nfs/dbraw/zinc/11/13/48/261111348.db2.gz CAXALEZCHKBJAY-CYBMUJFWSA-N 1 0 279.380 3.165 20 10 CGCDRO CC[N@H+](Cc1cc(OC)c(OC)cc1O)C1CCCC1 ZINC000159863856 261196529 /nfs/dbraw/zinc/19/65/29/261196529.db2.gz FSVBZHJISUNIMW-UHFFFAOYSA-N 1 0 279.380 3.174 20 10 CGCDRO C[C@@H]([NH2+][C@H](C)C1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000160116935 261205159 /nfs/dbraw/zinc/20/51/59/261205159.db2.gz GGPAWYHRWKJJIX-CHWSQXEVSA-N 1 0 292.398 3.111 20 10 CGCDRO Cc1ccccc1[C@@H](O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000163201793 261308891 /nfs/dbraw/zinc/30/88/91/261308891.db2.gz HHTVBEBMIUYXCG-BEFAXECRSA-N 1 0 298.430 3.445 20 10 CGCDRO C[C@H]([NH2+][C@H]1C[C@H](C)N(C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000166260871 261386529 /nfs/dbraw/zinc/38/65/29/261386529.db2.gz IFFFBUJLOBKFRR-DZKIICNBSA-N 1 0 287.451 3.028 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]Cc2cc[nH]c2)cc1F ZINC000175708462 261620317 /nfs/dbraw/zinc/62/03/17/261620317.db2.gz AIWHLTOWJJVIMG-UHFFFAOYSA-N 1 0 275.371 3.290 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](C)COC)c1ccc(N(C)C)cc1 ZINC000178670801 261755218 /nfs/dbraw/zinc/75/52/18/261755218.db2.gz KCILLWLPOJOCTD-CJNGLKHVSA-N 1 0 264.413 3.076 20 10 CGCDRO CC[C@@H](C[NH2+][C@@H](C)c1ccc(C)cc1O)N1CCCC1 ZINC000184990897 262036732 /nfs/dbraw/zinc/03/67/32/262036732.db2.gz UYHYWKZRJSNTDZ-GJZGRUSLSA-N 1 0 276.424 3.226 20 10 CGCDRO C[C@H]([NH2+]C[C@H](O)c1ccccc1F)c1cc(F)ccc1O ZINC000185096265 262041396 /nfs/dbraw/zinc/04/13/96/262041396.db2.gz PTMVGFGEKDNDBG-QFYYESIMSA-N 1 0 293.313 3.055 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2c3ccccc3C[C@@H]2O)c1 ZINC000185122187 262043079 /nfs/dbraw/zinc/04/30/79/262043079.db2.gz INYOIWVPNVTLCK-OCBCSQNSSA-N 1 0 283.371 3.010 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H](O)c1cccc(F)c1)c1cc(F)ccc1O ZINC000185163234 262044423 /nfs/dbraw/zinc/04/44/23/262044423.db2.gz VYLATNLNABNIGC-QLJPJBMISA-N 1 0 293.313 3.055 20 10 CGCDRO CCC(O)(CC)C[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000185231352 262046926 /nfs/dbraw/zinc/04/69/26/262046926.db2.gz MIVPKHORZUXEON-SNVBAGLBSA-N 1 0 271.788 3.247 20 10 CGCDRO Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000185349430 262051857 /nfs/dbraw/zinc/05/18/57/262051857.db2.gz WPVWMGDVUAQJDV-NWDGAFQWSA-N 1 0 273.380 3.154 20 10 CGCDRO CCC[C@@H](O)C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000185436955 262054036 /nfs/dbraw/zinc/05/40/36/262054036.db2.gz WKIMAYFMAUBRDA-SWLSCSKDSA-N 1 0 277.408 3.083 20 10 CGCDRO C[C@H]([NH2+]C[C@](C)(O)c1ccccc1)c1cc(F)ccc1O ZINC000185454720 262055403 /nfs/dbraw/zinc/05/54/03/262055403.db2.gz DVODQCBLLFRVMT-SJCJKPOMSA-N 1 0 289.350 3.090 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@]2(C)CCCC[C@@H]2O)c(O)c1 ZINC000185644330 262063409 /nfs/dbraw/zinc/06/34/09/262063409.db2.gz TVAJSEXIEITNDG-RRQGHBQHSA-N 1 0 277.408 3.292 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccccc1O)[C@H](c1ccccc1)N(C)C ZINC000185679667 262066119 /nfs/dbraw/zinc/06/61/19/262066119.db2.gz RTLAOROBNMKPNE-RDTXWAMCSA-N 1 0 284.403 3.173 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2COc3ccccc3C2)c1 ZINC000185224358 262302533 /nfs/dbraw/zinc/30/25/33/262302533.db2.gz GFUDGZMKFHOQED-JSGCOSHPSA-N 1 0 299.370 3.055 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1O)c1ccc2ccccc2c1O ZINC000186798175 262324322 /nfs/dbraw/zinc/32/43/22/262324322.db2.gz DXUPSTFYOZFZQZ-JCURWCKSSA-N 1 0 285.387 3.500 20 10 CGCDRO CCOC[C@H]([NH2+][C@@H](C)c1cc(C)ccc1O)C(C)C ZINC000189357015 264293076 /nfs/dbraw/zinc/29/30/76/264293076.db2.gz HFZHYQDIZFHTDM-ZFWWWQNUSA-N 1 0 265.397 3.412 20 10 CGCDRO CCOC1CC2(C1)CC[N@H+](Cc1cc(Cl)ccc1O)C2 ZINC000368037472 267139760 /nfs/dbraw/zinc/13/97/60/267139760.db2.gz NARHNYCAPXLIRV-UHFFFAOYSA-N 1 0 295.810 3.437 20 10 CGCDRO CCOc1cccc(C[NH+]2CCC(CCOC)CC2)c1O ZINC000529638000 270186532 /nfs/dbraw/zinc/18/65/32/270186532.db2.gz LETLIYOOZOTXTM-UHFFFAOYSA-N 1 0 293.407 3.039 20 10 CGCDRO CC[C@H]([NH2+][C@@H](CC)C(C)(C)O)c1ccc(N(C)C)cc1 ZINC000294944127 288062699 /nfs/dbraw/zinc/06/26/99/288062699.db2.gz IDMOZIKMOCBXEA-HOTGVXAUSA-N 1 0 278.440 3.343 20 10 CGCDRO CCC(CC)[C@@H](O)C[NH2+][C@H](C)c1cc(C)ccc1O ZINC000185424464 327915641 /nfs/dbraw/zinc/91/56/41/327915641.db2.gz NQAAWINJSVGXMT-WBMJQRKESA-N 1 0 265.397 3.148 20 10 CGCDRO CC[C@@H]([NH2+]CCc1ccncc1)c1ccc(N(C)C)cc1 ZINC000269019471 328188647 /nfs/dbraw/zinc/18/86/47/328188647.db2.gz PJZZIWFVXIWULN-GOSISDBHSA-N 1 0 283.419 3.431 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCC(F)(F)[C@H](C)C2)c1 ZINC000291532490 328264826 /nfs/dbraw/zinc/26/48/26/328264826.db2.gz KKGZQWTVCZWEFM-LLVKDONJSA-N 1 0 255.308 3.178 20 10 CGCDRO COc1cc(C[N@H+](C)Cc2ccccc2O)cc(OC)c1 ZINC000091956763 327188009 /nfs/dbraw/zinc/18/80/09/327188009.db2.gz LXRCGUYEHRCTEH-UHFFFAOYSA-N 1 0 287.359 3.041 20 10 CGCDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)c1ccccc1O ZINC000378641627 329057728 /nfs/dbraw/zinc/05/77/28/329057728.db2.gz ZAZDTXHYDRXYMP-YUDUHTQSSA-N 1 0 275.392 3.246 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCN2C2CCCC2)c1 ZINC000528005291 330299561 /nfs/dbraw/zinc/29/95/61/330299561.db2.gz ZGYKIPMSQVLYMB-GDBMZVCRSA-N 1 0 288.435 3.368 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2[C@H](C)O[C@H](C)[C@H]2C)c(O)c1 ZINC000527999216 330299859 /nfs/dbraw/zinc/29/98/59/330299859.db2.gz CTUZMNBVZRGSAF-CRQFQMBKSA-N 1 0 263.381 3.163 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)c1 ZINC000528000497 330299996 /nfs/dbraw/zinc/29/99/96/330299996.db2.gz FYPUCFGKUPTMQE-UWHVMBRKSA-N 1 0 263.381 3.163 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CC23CC(C2)CO3)c1O ZINC000527976305 330302109 /nfs/dbraw/zinc/30/21/09/330302109.db2.gz ASXREQXDSMGORE-RWWNRMGGSA-N 1 0 281.783 3.184 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1C[C@]1(C)OC(C)C)c1ccccc1O ZINC000528008946 330303792 /nfs/dbraw/zinc/30/37/92/330303792.db2.gz ULCXXBCEOUCCFS-BMFZPTHFSA-N 1 0 263.381 3.389 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2C[C@]2(C)OC(C)C)c1 ZINC000528009687 330303931 /nfs/dbraw/zinc/30/39/31/330303931.db2.gz WSUZWLFTCDLOEO-WQVCFCJDSA-N 1 0 263.381 3.307 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2CCSC2)cc1 ZINC000226374599 333258642 /nfs/dbraw/zinc/25/86/42/333258642.db2.gz DQZVTCUKYFOPRT-HNNXBMFYSA-N 1 0 278.465 3.376 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CC2(C)CCOCC2)c(O)c1 ZINC000230668301 333320414 /nfs/dbraw/zinc/32/04/14/333320414.db2.gz GKDMOKJMPYRIBX-ZDUSSCGKSA-N 1 0 263.381 3.168 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2ccccc2-n2cccn2)c1 ZINC000237762444 333381499 /nfs/dbraw/zinc/38/14/99/333381499.db2.gz WQOREZQVRNOKED-UHFFFAOYSA-N 1 0 293.370 3.176 20 10 CGCDRO Cc1nccn1CC[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000273368951 334764647 /nfs/dbraw/zinc/76/46/47/334764647.db2.gz CDGVBTVSFNLEIM-CYBMUJFWSA-N 1 0 295.386 3.401 20 10 CGCDRO C[C@H]([NH2+]C1CCN(c2ccccn2)CC1)c1ccccc1O ZINC000192709493 533812420 /nfs/dbraw/zinc/81/24/20/533812420.db2.gz HTNWQIBRFIYXHC-AWEZNQCLSA-N 1 0 297.402 3.107 20 10 CGCDRO CC(C)(C)[C@H]1C[C@@H]([NH2+]Cc2ccccc2O)CS1 ZINC000277194231 518981204 /nfs/dbraw/zinc/98/12/04/518981204.db2.gz IVRIWLNEKGEFQI-TZMCWYRMSA-N 1 0 265.422 3.402 20 10 CGCDRO CCOCc1cc(C[NH2+][C@H](C)CC)ccc1OC ZINC000264523339 520185177 /nfs/dbraw/zinc/18/51/77/520185177.db2.gz BKISGXHYIUHFMX-GFCCVEGCSA-N 1 0 251.370 3.120 20 10 CGCDRO CCCOc1ccc(C[NH2+]C[C@@H]2CCSC2)c(O)c1 ZINC000279854121 520367081 /nfs/dbraw/zinc/36/70/81/520367081.db2.gz DPWPJNWCLJRARE-LBPRGKRZSA-N 1 0 281.421 3.024 20 10 CGCDRO CCCOc1ccc(C[NH2+]C[C@H]2CCO[C@@H](C)C2)c(O)c1 ZINC000271581641 520369851 /nfs/dbraw/zinc/36/98/51/520369851.db2.gz YLNIDRLZYQMNPN-KBPBESRZSA-N 1 0 293.407 3.086 20 10 CGCDRO CCCCOCC[NH2+][C@@H](CC)c1ccccc1O ZINC000040506439 520782414 /nfs/dbraw/zinc/78/24/14/520782414.db2.gz AUFSMQIZCKEMRO-AWEZNQCLSA-N 1 0 251.370 3.250 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C2CC(F)(F)C2)cc1 ZINC000277418266 520906233 /nfs/dbraw/zinc/90/62/33/520906233.db2.gz GJRHPOUPQWTJOX-UHFFFAOYSA-N 1 0 268.351 3.420 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)c1 ZINC000290519222 521154509 /nfs/dbraw/zinc/15/45/09/521154509.db2.gz PYZQJGNVOBYIET-NZSAHSFTSA-N 1 0 295.382 3.219 20 10 CGCDRO CCOc1cccc(C[NH2+][C@H](C)CCc2ccco2)c1O ZINC000020144766 521373900 /nfs/dbraw/zinc/37/39/00/521373900.db2.gz CFPWKBZSHKMQEC-CYBMUJFWSA-N 1 0 289.375 3.495 20 10 CGCDRO CN(C)c1ccc(C[N@H+](Cc2ccccn2)C2CC2)cc1F ZINC000290665296 522174040 /nfs/dbraw/zinc/17/40/40/522174040.db2.gz ZZHZNAOFDLUPMX-UHFFFAOYSA-N 1 0 299.393 3.451 20 10 CGCDRO COc1cc(C[NH2+]Cc2cccc(OC)c2O)ccc1C ZINC000237116234 522467183 /nfs/dbraw/zinc/46/71/83/522467183.db2.gz HLWXYZIBJGQFSL-UHFFFAOYSA-N 1 0 287.359 3.008 20 10 CGCDRO CC[C@H]([NH2+][C@@H](CO)Cc1ccccc1)c1ccc(C)cc1O ZINC000280075690 522705573 /nfs/dbraw/zinc/70/55/73/522705573.db2.gz LJTPCVVHBPOZQN-AEFFLSMTSA-N 1 0 299.414 3.345 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCC[C@@H]1CCO)c1ccc(C)cc1O ZINC000280289677 522711244 /nfs/dbraw/zinc/71/12/44/522711244.db2.gz ZBPXVESPKKULQT-VNQPRFMTSA-N 1 0 277.408 3.292 20 10 CGCDRO C[N@H+](CCCCO)Cc1cc(-c2ccccc2)ccc1O ZINC000276636983 522739297 /nfs/dbraw/zinc/73/92/97/522739297.db2.gz KGOLZSXZAYQRHB-UHFFFAOYSA-N 1 0 285.387 3.264 20 10 CGCDRO CC[C@H]([NH2+][C@H](CO)c1ccccc1)c1ccccc1O ZINC000062999196 522747677 /nfs/dbraw/zinc/74/76/77/522747677.db2.gz HHUXVHHVTSCTCT-JKSUJKDBSA-N 1 0 271.360 3.167 20 10 CGCDRO CC[C@@H]([NH2+]C1CCN(CC)CC1)c1ccc(C)cc1O ZINC000280265797 522813527 /nfs/dbraw/zinc/81/35/27/522813527.db2.gz XNXUHRFZNZWGPR-MRXNPFEDSA-N 1 0 276.424 3.226 20 10 CGCDRO COc1cccc2c1CC[C@@H]([NH2+]Cc1ccccc1O)C2 ZINC000277238276 524217481 /nfs/dbraw/zinc/21/74/81/524217481.db2.gz OBKQKWCMHMBPKU-OAHLLOKOSA-N 1 0 283.371 3.048 20 10 CGCDRO COc1ccc(F)cc1C[N@H+](C)Cc1ccccc1O ZINC000264626247 524308445 /nfs/dbraw/zinc/30/84/45/524308445.db2.gz SSEPRIXHQFYUHX-UHFFFAOYSA-N 1 0 275.323 3.172 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)c1O ZINC000290289186 524438116 /nfs/dbraw/zinc/43/81/16/524438116.db2.gz AESWJASEZAUUGF-IXDOHACOSA-N 1 0 265.356 3.129 20 10 CGCDRO Cc1cccc(CNc2cccc(C[NH+](C)C)c2)c1O ZINC000158046505 524443068 /nfs/dbraw/zinc/44/30/68/524443068.db2.gz NZWYOJSPZZNPSC-UHFFFAOYSA-N 1 0 270.376 3.374 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@]2(C)CCCO)cc1C ZINC000290546822 525313808 /nfs/dbraw/zinc/31/38/08/525313808.db2.gz RNLMGWQYLXVYJR-KRWDZBQOSA-N 1 0 277.408 3.136 20 10 CGCDRO C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc(F)cc1[O-] ZINC000278590671 525425804 /nfs/dbraw/zinc/42/58/04/525425804.db2.gz YVOKVOSLZBGBQQ-GFCCVEGCSA-N 1 0 292.398 3.056 20 10 CGCDRO C[C@@H]([NH2+][C@@H](CO)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000063000102 525625856 /nfs/dbraw/zinc/62/58/56/525625856.db2.gz OJIWTKXPHQMYST-KDOFPFPSSA-N 1 0 284.403 3.137 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](CO)C2CCCC2)c(O)c1C ZINC000290118919 525741530 /nfs/dbraw/zinc/74/15/30/525741530.db2.gz JDHNVHNBMNXENJ-CJNGLKHVSA-N 1 0 277.408 3.211 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCc3nccn3C2)c(O)c1C ZINC000278916579 525923349 /nfs/dbraw/zinc/92/33/49/525923349.db2.gz HJUAIIOBOJUHOS-GJZGRUSLSA-N 1 0 299.418 3.119 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H]2CCO)c(O)c1C ZINC000275115309 525946145 /nfs/dbraw/zinc/94/61/45/525946145.db2.gz ISYSMLYZNVPGFX-LZWOXQAQSA-N 1 0 277.408 3.211 20 10 CGCDRO Cc1ccc([C@H](O)C[NH2+]Cc2c(O)cccc2Cl)cc1 ZINC000113326215 525977270 /nfs/dbraw/zinc/97/72/70/525977270.db2.gz ZGFGKCBEKCIYPS-MRXNPFEDSA-N 1 0 291.778 3.177 20 10 CGCDRO C[C@@H](C[NH2+]Cc1ccc(N(C)C)cc1)c1ccncc1 ZINC000749295980 571699982 /nfs/dbraw/zinc/69/99/82/571699982.db2.gz LXUNEUAYOQWJMF-AWEZNQCLSA-N 1 0 269.392 3.041 20 10 CGCDRO C[C@@H]1C[C@@H](C)[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000740857872 571885572 /nfs/dbraw/zinc/88/55/72/571885572.db2.gz BAKBAWYDGXENMS-VXGBXAGGSA-N 1 0 256.349 3.171 20 10 CGCDRO CCOc1ccc(C[NH2+][C@@H](C)CCc2ccco2)c(O)c1 ZINC000725841971 572435599 /nfs/dbraw/zinc/43/55/99/572435599.db2.gz UGCYSULETTYPND-ZDUSSCGKSA-N 1 0 289.375 3.495 20 10 CGCDRO CCn1cc(C[NH2+]Cc2ccc(N3CCCCC3)cc2)cn1 ZINC000732569891 572472127 /nfs/dbraw/zinc/47/21/27/572472127.db2.gz VAFMXNMXJXTIHA-UHFFFAOYSA-N 1 0 298.434 3.183 20 10 CGCDRO CC[N@@H+](Cc1c(O)ccc2ccncc21)CC1CC1 ZINC000732662872 572476938 /nfs/dbraw/zinc/47/69/38/572476938.db2.gz BJJSILADPLJNGB-UHFFFAOYSA-N 1 0 256.349 3.172 20 10 CGCDRO CCSCC[N@H+](CC)Cc1ccc(N(C)C)cc1 ZINC000741804359 572531518 /nfs/dbraw/zinc/53/15/18/572531518.db2.gz FSMIBGQBJGGWLE-UHFFFAOYSA-N 1 0 266.454 3.328 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]C(C)(C)C(=O)Nc2ccccc2)c1 ZINC000733328057 572556197 /nfs/dbraw/zinc/55/61/97/572556197.db2.gz LMAKLRIOXQYNPC-UHFFFAOYSA-N 1 0 298.386 3.208 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CC2(C)C)cc1F ZINC000733326483 572556512 /nfs/dbraw/zinc/55/65/12/572556512.db2.gz GNIJGQDCOOFEPG-GFCCVEGCSA-N 1 0 250.361 3.027 20 10 CGCDRO C[C@H]1C[NH+](Cc2c(O)ccc3ccncc32)C[C@H](C)S1 ZINC000743376732 572655667 /nfs/dbraw/zinc/65/56/67/572655667.db2.gz URHIAXFXNRBJDA-RYUDHWBXSA-N 1 0 288.416 3.266 20 10 CGCDRO C[C@@H]([NH2+]Cc1cc(-c2ccccc2)ccc1O)C(C)(C)O ZINC000734841860 572686913 /nfs/dbraw/zinc/68/69/13/572686913.db2.gz YOMPFBSLZOGCMJ-CYBMUJFWSA-N 1 0 285.387 3.308 20 10 CGCDRO Cc1ccncc1C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000746336345 572866868 /nfs/dbraw/zinc/86/68/68/572866868.db2.gz YMWYINTVLGJWOC-UHFFFAOYSA-N 1 0 269.392 3.088 20 10 CGCDRO CO[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC000746754077 572894907 /nfs/dbraw/zinc/89/49/07/572894907.db2.gz JUYDGMNZZIEPAI-FUHWJXTLSA-N 1 0 288.435 3.334 20 10 CGCDRO CC1(O)CCC([NH2+]Cc2ccc(N3CCCC3)cc2)CC1 ZINC000749290481 572991570 /nfs/dbraw/zinc/99/15/70/572991570.db2.gz FQLHHGZTDXYBNE-UHFFFAOYSA-N 1 0 288.435 3.070 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]C[C@H](C)c2ccncc2)c1 ZINC000749297178 572991778 /nfs/dbraw/zinc/99/17/78/572991778.db2.gz QJWVUVFXGHHQJJ-ZDUSSCGKSA-N 1 0 286.375 3.079 20 10 CGCDRO Cc1ncc(C[NH2+][C@H](C)c2ccc(C)cc2O)s1 ZINC000040997544 617985397 /nfs/dbraw/zinc/98/53/97/617985397.db2.gz KWIFPAJJPHKWCB-SNVBAGLBSA-N 1 0 262.378 3.316 20 10 CGCDRO Cc1nc(C)c([C@@H](C)[NH2+]CCc2ccc(N)cc2)s1 ZINC000049538785 617616117 /nfs/dbraw/zinc/61/61/17/617616117.db2.gz JIBAFBSIQSSRSW-SNVBAGLBSA-N 1 0 275.421 3.235 20 10 CGCDRO CCC[C@@H](CC)[NH2+]Cc1cccc(OCC)c1O ZINC000050400521 618066170 /nfs/dbraw/zinc/06/61/70/618066170.db2.gz XUNGGVBPPIOGNL-CYBMUJFWSA-N 1 0 251.370 3.459 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000246079067 618166220 /nfs/dbraw/zinc/16/62/20/618166220.db2.gz USFVGJUQECMSND-RNJOBUHISA-N 1 0 279.380 3.007 20 10 CGCDRO COc1ccc(C[N@@H+]2CC[C@@H]2c2ccccc2)c(O)c1OC ZINC000891402702 618188045 /nfs/dbraw/zinc/18/80/45/618188045.db2.gz VLCAETYVODYSFO-OAHLLOKOSA-N 1 0 299.370 3.356 20 10 CGCDRO COc1ccc(C[N@H+](C)[C@@H]2CCC[C@@H](C)C2)c(O)c1OC ZINC000891601405 618241044 /nfs/dbraw/zinc/24/10/44/618241044.db2.gz HIWDBYOAAYPQLG-TZMCWYRMSA-N 1 0 293.407 3.420 20 10 CGCDRO COc1ccc(C[N@H+](C)C(C2CC2)C2CC2)c(O)c1OC ZINC000891852599 618340421 /nfs/dbraw/zinc/34/04/21/618340421.db2.gz NTPCXWMVWFUNCI-UHFFFAOYSA-N 1 0 291.391 3.030 20 10 CGCDRO CCOc1cccc(C[NH2+]CCc2cccc(C)c2)c1O ZINC000051668809 618624638 /nfs/dbraw/zinc/62/46/38/618624638.db2.gz JGBVLDSLVSEYCN-UHFFFAOYSA-N 1 0 285.387 3.432 20 10 CGCDRO Cc1ccccc1N1CC[NH+](Cc2ccccc2O)CC1 ZINC000179558460 618794817 /nfs/dbraw/zinc/79/48/17/618794817.db2.gz PPTDCDZNFJWMFP-UHFFFAOYSA-N 1 0 282.387 3.023 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2CCC[C@@H](C)C2)c(O)c1OC ZINC000892510622 618825327 /nfs/dbraw/zinc/82/53/27/618825327.db2.gz PBPMUCZLVFJKIA-YPMHNXCESA-N 1 0 279.380 3.078 20 10 CGCDRO CCC1([NH2+]Cc2cc(Cl)cc(OC)c2O)CCC1 ZINC000169090875 618916210 /nfs/dbraw/zinc/91/62/10/618916210.db2.gz KVWULHGBCUZQGO-UHFFFAOYSA-N 1 0 269.772 3.477 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](C)C[C@H](C)C2)c(O)c1OC ZINC000892991449 618971124 /nfs/dbraw/zinc/97/11/24/618971124.db2.gz KTYJGGAVGYNUON-IMRBUKKESA-N 1 0 293.407 3.324 20 10 CGCDRO CCCCOCC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000040506855 618985414 /nfs/dbraw/zinc/98/54/14/618985414.db2.gz SZBRZSFXQCOUEB-AWEZNQCLSA-N 1 0 264.413 3.220 20 10 CGCDRO Cc1ccc(C[N@@H+](C)Cc2ccccc2O)c(C)n1 ZINC000187246212 619076265 /nfs/dbraw/zinc/07/62/65/619076265.db2.gz CRZWCZAHKZJIHB-UHFFFAOYSA-N 1 0 256.349 3.036 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCc2cccc(O)c21)c1ccc2c(c1)OCO2 ZINC000319272005 619108780 /nfs/dbraw/zinc/10/87/80/619108780.db2.gz RJSIFDXPNRJWBA-FZMZJTMJSA-N 1 0 297.354 3.459 20 10 CGCDRO C[C@H]([NH2+]CCCSc1nccs1)C1CCC1 ZINC000178462022 619206944 /nfs/dbraw/zinc/20/69/44/619206944.db2.gz GYDKGWOXMJRXAV-JTQLQIEISA-N 1 0 256.440 3.404 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](C)[C@H](C)C2)c(O)c1OC ZINC000893568057 619224881 /nfs/dbraw/zinc/22/48/81/619224881.db2.gz RQNKYFSDDMESIW-OUCADQQQSA-N 1 0 293.407 3.324 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)COC(C)C)cc1 ZINC000800223183 619233758 /nfs/dbraw/zinc/23/37/58/619233758.db2.gz UIIJNFITQYFLFZ-OAHLLOKOSA-N 1 0 278.440 3.436 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2ccc(N(C)C)cc2)nc1C ZINC000314782161 619236513 /nfs/dbraw/zinc/23/65/13/619236513.db2.gz MGNCZOHTAZSZCO-UHFFFAOYSA-N 1 0 269.392 3.054 20 10 CGCDRO OC[C@@H]1CCC[C@H]([NH2+]Cc2ccc3ccccc3c2O)C1 ZINC000840980379 619310880 /nfs/dbraw/zinc/31/08/80/619310880.db2.gz YHQGITYQHFQEFQ-CJNGLKHVSA-N 1 0 285.387 3.186 20 10 CGCDRO COCC[N@H+](Cc1cc(F)cc(F)c1[O-])C1CCCC1 ZINC000893953797 619339935 /nfs/dbraw/zinc/33/99/35/619339935.db2.gz KWONNIRYRUTIQA-UHFFFAOYSA-N 1 0 285.334 3.061 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@]2(C)CCCO2)cc1F ZINC000236923378 619372688 /nfs/dbraw/zinc/37/26/88/619372688.db2.gz PDTRIYAHCLRWPL-KRWDZBQOSA-N 1 0 294.414 3.331 20 10 CGCDRO CC(C)[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000924863524 619373517 /nfs/dbraw/zinc/37/35/17/619373517.db2.gz YSVHYTOPNOHIKW-ZBFHGGJFSA-N 1 0 294.414 3.042 20 10 CGCDRO CCOC1(C[NH2+]Cc2c(C)cccc2O)CCCC1 ZINC000877552813 619404443 /nfs/dbraw/zinc/40/44/43/619404443.db2.gz XFBUDKGMDMHNGM-UHFFFAOYSA-N 1 0 263.381 3.140 20 10 CGCDRO CCCC[C@@H](COC)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894285141 619465857 /nfs/dbraw/zinc/46/58/57/619465857.db2.gz VIJXUMNFMNAKJR-AWEZNQCLSA-N 1 0 281.396 3.004 20 10 CGCDRO CCC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(F)cc2[O-])CC1 ZINC000185351138 625349653 /nfs/dbraw/zinc/34/96/53/625349653.db2.gz LEFCNLHPJJIDRN-CYBMUJFWSA-N 1 0 294.414 3.304 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@H](C)c2ncc(C)s2)c1O ZINC000894323824 619491475 /nfs/dbraw/zinc/49/14/75/619491475.db2.gz PHILBTKRYKBQQS-LLVKDONJSA-N 1 0 292.404 3.325 20 10 CGCDRO Cc1cc(C[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)on1 ZINC000185357358 625351152 /nfs/dbraw/zinc/35/11/52/625351152.db2.gz QDSGWAQGEDWLAB-LBPRGKRZSA-N 1 0 286.375 3.418 20 10 CGCDRO COc1cccc(C[NH2+]C2CC3(C2)CCCC3)c1O ZINC000894458491 619543860 /nfs/dbraw/zinc/54/38/60/619543860.db2.gz SNZOTLBTKRXZQD-UHFFFAOYSA-N 1 0 261.365 3.213 20 10 CGCDRO COc1cc(C)cc(C[NH2+]C[C@H](C)c2nccs2)c1O ZINC000894461762 619545797 /nfs/dbraw/zinc/54/57/97/619545797.db2.gz WPFOZGLCJPHINS-NSHDSACASA-N 1 0 292.404 3.059 20 10 CGCDRO CC[C@H](C)[C@H](O)C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000185439058 625358139 /nfs/dbraw/zinc/35/81/39/625358139.db2.gz NWCSOEOEZWTGMJ-ZJNRKIDTSA-N 1 0 291.435 3.329 20 10 CGCDRO CC[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000894689197 619605560 /nfs/dbraw/zinc/60/55/60/619605560.db2.gz HXGRTVHIVJJQKN-CHWSQXEVSA-N 1 0 293.407 3.325 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@@H]2c3ccccc3O[C@H]2C)c1O ZINC000894785977 619635148 /nfs/dbraw/zinc/63/51/48/619635148.db2.gz BHAXZTOIUVHFOB-SJCJKPOMSA-N 1 0 299.370 3.321 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCc3cccnc32)c1 ZINC000894783018 619635560 /nfs/dbraw/zinc/63/55/60/619635560.db2.gz PFDYGELARGFSLD-ABAIWWIYSA-N 1 0 284.359 3.134 20 10 CGCDRO C[C@@H]1CC2(CC([NH2+]CCCSc3nccs3)C2)CO1 ZINC000925102618 619698217 /nfs/dbraw/zinc/69/82/17/619698217.db2.gz MIIBYEAUBZZBLS-LKSINWNRSA-N 1 0 298.477 3.173 20 10 CGCDRO C[C@@H]([NH2+]Cc1cnn(CC2CCC2)c1)c1ccccc1O ZINC000895131686 619745382 /nfs/dbraw/zinc/74/53/82/619745382.db2.gz YSCDMPLGPILWBK-CYBMUJFWSA-N 1 0 285.391 3.240 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@@H](C)c2ccns2)c1O ZINC000895412477 619823380 /nfs/dbraw/zinc/82/33/80/619823380.db2.gz XGDKXHVYUMSQNE-JTQLQIEISA-N 1 0 278.377 3.017 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@H](C)c2cnc(C)s2)c1O ZINC000895439984 619829277 /nfs/dbraw/zinc/82/92/77/619829277.db2.gz KNJNSSKLNOAVAW-SNVBAGLBSA-N 1 0 292.404 3.325 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000895841581 619892452 /nfs/dbraw/zinc/89/24/52/619892452.db2.gz CXODFKSGUABEOI-SJLPKXTDSA-N 1 0 288.435 3.062 20 10 CGCDRO CN(C)c1ccc(/C=C/C[N@H+](C)CCCF)cc1 ZINC000895896111 619904875 /nfs/dbraw/zinc/90/48/75/619904875.db2.gz MTJCCTXEMXSRNC-GQCTYLIASA-N 1 0 250.361 3.057 20 10 CGCDRO COCC1C[NH+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000895971928 619919839 /nfs/dbraw/zinc/91/98/39/619919839.db2.gz XQHOJLXNFGRWEZ-UHFFFAOYSA-N 1 0 283.371 3.137 20 10 CGCDRO Cc1cccc(C[NH2+]C[C@@H]2CCCC3(CCC3)O2)c1O ZINC000896917607 620099901 /nfs/dbraw/zinc/09/99/01/620099901.db2.gz DNKYTWSERNCFLY-HNNXBMFYSA-N 1 0 275.392 3.282 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@@]2(C)CCCCO2)c1O ZINC000896923319 620103291 /nfs/dbraw/zinc/10/32/91/620103291.db2.gz IRVRACLPGYKMBH-MRXNPFEDSA-N 1 0 263.381 3.003 20 10 CGCDRO CC(C)C[C@H](CCO)C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000185615563 625397344 /nfs/dbraw/zinc/39/73/44/625397344.db2.gz JHYKVZYRFQHLGY-OLZOCXBDSA-N 1 0 283.387 3.227 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@H]1C[C@@H]1C ZINC000840718088 620174151 /nfs/dbraw/zinc/17/41/51/620174151.db2.gz LGVIZOMMVPYHJD-WBAXXEDZSA-N 1 0 288.435 3.047 20 10 CGCDRO Cc1noc(C)c1[C@@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000073007069 625405271 /nfs/dbraw/zinc/40/52/71/625405271.db2.gz UQIBXRASMNSGKU-SNVBAGLBSA-N 1 0 272.348 3.077 20 10 CGCDRO COc1cccc(O)c1C[NH2+]CC[C@H]1CCC(C)(C)CO1 ZINC000897478486 620345917 /nfs/dbraw/zinc/34/59/17/620345917.db2.gz WAYGBBVFRXHTCH-CYBMUJFWSA-N 1 0 293.407 3.086 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(Cl)cc1[O-] ZINC000841745098 620351110 /nfs/dbraw/zinc/35/11/10/620351110.db2.gz NFKUIIUOAGJEEF-RYUDHWBXSA-N 1 0 294.826 3.181 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](C)c2cncs2)c1 ZINC000897934814 620452236 /nfs/dbraw/zinc/45/22/36/620452236.db2.gz PCTDOLNWJXZUOW-JTQLQIEISA-N 1 0 278.377 3.098 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H]2C[C@@H]3CCC[C@H]23)c1O ZINC000897952295 620454032 /nfs/dbraw/zinc/45/40/32/620454032.db2.gz FQBPRFVGOOSFJC-FPMFFAJLSA-N 1 0 261.365 3.069 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H]2C[C@H]3CCC[C@H]32)c1O ZINC000897952298 620454076 /nfs/dbraw/zinc/45/40/76/620454076.db2.gz FQBPRFVGOOSFJC-MRVWCRGKSA-N 1 0 261.365 3.069 20 10 CGCDRO C[C@H](Cc1cccnc1)[NH2+]Cc1cc(Cl)ccc1O ZINC000897969016 620459064 /nfs/dbraw/zinc/45/90/64/620459064.db2.gz BYTVWTZFSGWOBX-LLVKDONJSA-N 1 0 276.767 3.161 20 10 CGCDRO COc1ccc(C[NH2+]CCc2cccnc2C)cc1C ZINC000898257644 620499906 /nfs/dbraw/zinc/49/99/06/620499906.db2.gz ZJGXOGHVSAHZKH-UHFFFAOYSA-N 1 0 270.376 3.039 20 10 CGCDRO CCc1cccc(C[NH2+]Cc2c(C)nc3ccccn32)c1O ZINC000898271963 620502395 /nfs/dbraw/zinc/50/23/95/620502395.db2.gz NJXPFMXLTUJYJL-UHFFFAOYSA-N 1 0 295.386 3.201 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H](c2ccncc2)C2CC2)c1O ZINC000898324682 620506734 /nfs/dbraw/zinc/50/67/34/620506734.db2.gz JFWZHHLZSINEPY-QGZVFWFLSA-N 1 0 298.386 3.427 20 10 CGCDRO CCc1ccc(C[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)cc1 ZINC000841040443 620518045 /nfs/dbraw/zinc/51/80/45/620518045.db2.gz MRFBJFWXPLYVMI-LJQANCHMSA-N 1 0 297.446 3.105 20 10 CGCDRO C[C@H](C[C@@H](O)c1ccco1)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000185837823 625463400 /nfs/dbraw/zinc/46/34/00/625463400.db2.gz PUTPYKVKUFBICM-JRPNMDOOSA-N 1 0 293.338 3.287 20 10 CGCDRO CC[C@@H]([NH2+]Cc1csc(N)n1)c1ccc(N(C)C)cc1 ZINC000902488587 621356207 /nfs/dbraw/zinc/35/62/07/621356207.db2.gz HOMWAKMACOXQTQ-CQSZACIVSA-N 1 0 290.436 3.032 20 10 CGCDRO c1csc(SCCC[NH2+][C@@H]2CCOC23CCCC3)n1 ZINC000903098622 621571513 /nfs/dbraw/zinc/57/15/13/621571513.db2.gz RRHUKANWGSYKQY-GFCCVEGCSA-N 1 0 298.477 3.317 20 10 CGCDRO C[C@H]([NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1ccc2ccccc2c1O ZINC000903288000 621670782 /nfs/dbraw/zinc/67/07/82/621670782.db2.gz UZXYFNMTYPKTFV-FPQFGWEOSA-N 1 0 295.382 3.372 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCOC12CCCC2)c1ccccc1O ZINC000903383480 621724999 /nfs/dbraw/zinc/72/49/99/621724999.db2.gz OZSQMRYRZXVZDM-IUODEOHRSA-N 1 0 261.365 3.145 20 10 CGCDRO Cc1nc2ccccn2c1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000903422542 621750828 /nfs/dbraw/zinc/75/08/28/621750828.db2.gz OPLQXLGWQRDSON-CQSZACIVSA-N 1 0 293.370 3.125 20 10 CGCDRO Cc1ccc(CC[NH2+]Cc2cc(C)ccc2O)cc1 ZINC000083411446 625516933 /nfs/dbraw/zinc/51/69/33/625516933.db2.gz GJXNFHGUWIXCED-UHFFFAOYSA-N 1 0 255.361 3.341 20 10 CGCDRO CC(C)(C[NH3+])C1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC000904444083 621922451 /nfs/dbraw/zinc/92/24/51/621922451.db2.gz OYCDFVBNBZTCAL-UHFFFAOYSA-N 1 0 296.842 3.243 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CCO1 ZINC000905743049 622103972 /nfs/dbraw/zinc/10/39/72/622103972.db2.gz YRVFLFYXZNMLQJ-GFCCVEGCSA-N 1 0 293.407 3.006 20 10 CGCDRO CCCN(CCC)c1ccc(CN[C@@H](C)[C@H](C)[NH3+])cc1 ZINC000841082162 622275743 /nfs/dbraw/zinc/27/57/43/622275743.db2.gz WOUYBEQMKDLFGE-GJZGRUSLSA-N 1 0 277.456 3.138 20 10 CGCDRO CN(C(=O)C1=CCC[NH2+]CC1)c1ccc2ccccc2c1 ZINC000912039427 622587799 /nfs/dbraw/zinc/58/77/99/622587799.db2.gz DJFDMGMXCMIAGU-UHFFFAOYSA-N 1 0 280.371 3.112 20 10 CGCDRO CSC(C)(C)CC[N@H+](C)Cc1ccccc1O ZINC000876615296 622794513 /nfs/dbraw/zinc/79/45/13/622794513.db2.gz AIFZKTALANKCHM-UHFFFAOYSA-N 1 0 253.411 3.356 20 10 CGCDRO CCC(CC)[NH2+]Cc1cc(Br)ccc1O ZINC000163752582 622800134 /nfs/dbraw/zinc/80/01/34/622800134.db2.gz NSJIEFZOLBVTSU-UHFFFAOYSA-N 1 0 272.186 3.433 20 10 CGCDRO C[C@@H](C[NH2+]Cc1cc(Br)ccc1O)C1CC1 ZINC000163760293 622800518 /nfs/dbraw/zinc/80/05/18/622800518.db2.gz PPYQAWLIWQUEGP-VIFPVBQESA-N 1 0 284.197 3.290 20 10 CGCDRO COc1cccc(C[N@@H+]2CC[C@@H](C(C)(C)C)C2)c1O ZINC000163869223 622805859 /nfs/dbraw/zinc/80/58/59/622805859.db2.gz JUHFYAUGZCZMPD-CYBMUJFWSA-N 1 0 263.381 3.269 20 10 CGCDRO COc1cc(C[NH+]2CCSCC2)c(O)c(C(C)(C)C)c1 ZINC000164119289 622815342 /nfs/dbraw/zinc/81/53/42/622815342.db2.gz NPASKHPGOFCNST-UHFFFAOYSA-N 1 0 295.448 3.247 20 10 CGCDRO CC[C@H]([NH2+]C[C@H]1CCCN1CC)c1ccc(N(C)C)cc1 ZINC000156572199 622825652 /nfs/dbraw/zinc/82/56/52/622825652.db2.gz HCVQLMQIGOXQPL-MSOLQXFVSA-N 1 0 289.467 3.278 20 10 CGCDRO CCC1(C[NH2+]Cc2cc(Br)ccc2O)CC1 ZINC000165461873 622864219 /nfs/dbraw/zinc/86/42/19/622864219.db2.gz RLWFOLMDXQEHQD-UHFFFAOYSA-N 1 0 284.197 3.435 20 10 CGCDRO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H](C)[C@@H]2C)c1O ZINC000224711470 622882974 /nfs/dbraw/zinc/88/29/74/622882974.db2.gz BQXUHCCWEFMTAY-MNOVXSKESA-N 1 0 279.355 3.354 20 10 CGCDRO Cc1cccc(C[NH2+]C[C@@]2(N(C)C)CCC[C@H](C)C2)c1O ZINC000158118821 623008064 /nfs/dbraw/zinc/00/80/64/623008064.db2.gz QVUHLHRNVYJQOJ-KBXCAEBGSA-N 1 0 290.451 3.301 20 10 CGCDRO CC1(C)C[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)CCO1 ZINC000228084771 623040367 /nfs/dbraw/zinc/04/03/67/623040367.db2.gz HWTJBQKAJYFSMU-MRXNPFEDSA-N 1 0 288.435 3.334 20 10 CGCDRO Oc1ccccc1C[NH2+]CCc1cc(F)cc(F)c1 ZINC000060717494 623062037 /nfs/dbraw/zinc/06/20/37/623062037.db2.gz RTRILXVVLFFFED-UHFFFAOYSA-N 1 0 263.287 3.003 20 10 CGCDRO COc1cccc(C[NH2+]CC2(C)CCCCC2)c1O ZINC000229587148 623146671 /nfs/dbraw/zinc/14/66/71/623146671.db2.gz QNMWEGOYYOFYGL-UHFFFAOYSA-N 1 0 263.381 3.461 20 10 CGCDRO Cc1cnccc1C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000229659109 623152464 /nfs/dbraw/zinc/15/24/64/623152464.db2.gz SWIJTAYYRJDVIT-CQSZACIVSA-N 1 0 269.392 3.307 20 10 CGCDRO C[N@H+](Cc1ccc(-n2cccn2)cc1)Cc1ccccc1O ZINC000171926943 623200308 /nfs/dbraw/zinc/20/03/08/623200308.db2.gz UUNSRROQPLTXCR-UHFFFAOYSA-N 1 0 293.370 3.210 20 10 CGCDRO Cc1nc2ccccc2nc1C[N@H+](C)Cc1ccccc1O ZINC000172164154 623229749 /nfs/dbraw/zinc/22/97/49/623229749.db2.gz JEBVLSBZNGYWMP-UHFFFAOYSA-N 1 0 293.370 3.276 20 10 CGCDRO CCOc1cccc(C[NH2+]C[C@H]2CC[C@H](C)C2)c1O ZINC000230412948 623240530 /nfs/dbraw/zinc/24/05/30/623240530.db2.gz ABERSQSBRFZJLI-STQMWFEESA-N 1 0 263.381 3.317 20 10 CGCDRO Cc1csc(CC[NH2+][C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000063132833 623301536 /nfs/dbraw/zinc/30/15/36/623301536.db2.gz KGXRXBIWMKTCBL-ZDUSSCGKSA-N 1 0 289.448 3.411 20 10 CGCDRO COc1cc(O)c(C[NH2+]CCCCCSC)cc1OC ZINC000187673171 623360666 /nfs/dbraw/zinc/36/06/66/623360666.db2.gz XDQSLVWUKDYGTQ-UHFFFAOYSA-N 1 0 299.436 3.032 20 10 CGCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCC[C@@H]3C)CC2)cc1 ZINC000151872197 623579506 /nfs/dbraw/zinc/57/95/06/623579506.db2.gz ZBUNQVOVRYFNMX-KBXCAEBGSA-N 1 0 288.435 3.442 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@H](C2CC2)C2CCC2)cc1 ZINC000324678329 624159789 /nfs/dbraw/zinc/15/97/89/624159789.db2.gz MZGCTDFWQORNOJ-KRWDZBQOSA-N 1 0 258.409 3.421 20 10 CGCDRO COc1ccc(N2CCC[N@H+](CCC(C)C)CC2)cc1 ZINC000917088044 624237326 /nfs/dbraw/zinc/23/73/26/624237326.db2.gz MOFXQBHXDJNWMT-UHFFFAOYSA-N 1 0 276.424 3.253 20 10 CGCDRO CCOc1ccc(O)c(C[N@H+](C)Cc2ccccc2)c1 ZINC000154464083 624299150 /nfs/dbraw/zinc/29/91/50/624299150.db2.gz VHQVCMFFUTWGSZ-UHFFFAOYSA-N 1 0 271.360 3.423 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H]2C(C)(C)O)cc1 ZINC000154476498 624301912 /nfs/dbraw/zinc/30/19/12/624301912.db2.gz ATBLUOTXEJQBIS-QGZVFWFLSA-N 1 0 290.451 3.268 20 10 CGCDRO Cc1cccc(C[N@@H+](CCN(C)C)C2CCCC2)c1O ZINC000154611023 624328171 /nfs/dbraw/zinc/32/81/71/624328171.db2.gz IGKXOBPKGMDHHD-UHFFFAOYSA-N 1 0 276.424 3.007 20 10 CGCDRO Oc1ccccc1C[N@H+](Cc1ccco1)CC1=CCCOC1 ZINC000154717293 624347000 /nfs/dbraw/zinc/34/70/00/624347000.db2.gz UEVCDBUUPKDBNS-UHFFFAOYSA-N 1 0 299.370 3.334 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+](C)Cc2ccc(N(C)C)cc2)c1 ZINC000155185967 624447400 /nfs/dbraw/zinc/44/74/00/624447400.db2.gz WWENWFZABQVQIU-UHFFFAOYSA-N 1 0 284.403 3.399 20 10 CGCDRO CC(C)CC[N@H+](C)Cc1c(O)ccc2ccncc21 ZINC000921050524 624565420 /nfs/dbraw/zinc/56/54/20/624565420.db2.gz TZEVXDCYWODOAN-UHFFFAOYSA-N 1 0 258.365 3.418 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCC[C@@H]2CN2CCCCC2)c1O ZINC000179803433 624687016 /nfs/dbraw/zinc/68/70/16/624687016.db2.gz DLJFMKPDDQTPAP-QGZVFWFLSA-N 1 0 288.435 3.151 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](C)CC2)c1O ZINC000179949909 624700949 /nfs/dbraw/zinc/70/09/49/624700949.db2.gz PHJISHOZNVGCOB-CYBMUJFWSA-N 1 0 263.381 3.413 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1ccc(N(C)C)cc1 ZINC000121402431 634417819 /nfs/dbraw/zinc/41/78/19/634417819.db2.gz VYZNBSMWFPBJMR-LESCRADOSA-N 1 0 290.451 3.344 20 10 CGCDRO CC(=O)c1cc(Cl)cc(CN2CCSC[C@@H]2C)c1O ZINC000070220495 624985733 /nfs/dbraw/zinc/98/57/33/624985733.db2.gz TWVOIULGCRGHJR-VIFPVBQESA-N 1 0 299.823 3.186 20 10 CGCDRO COc1cccc(C[NH2+]Cc2ccc(Cl)s2)c1O ZINC000070937881 625045122 /nfs/dbraw/zinc/04/51/22/625045122.db2.gz JDONIUMAKOPIMN-UHFFFAOYSA-N 1 0 283.780 3.406 20 10 CGCDRO CCC[N@@H+](Cc1cc(OC)c(OC)cc1O)CC1CC1 ZINC000183371552 625068051 /nfs/dbraw/zinc/06/80/51/625068051.db2.gz UXLOGOAKVBSPJN-UHFFFAOYSA-N 1 0 279.380 3.031 20 10 CGCDRO CN(CC[NH2+]Cc1cc(Cl)ccc1O)C1CCCC1 ZINC000071376723 625081634 /nfs/dbraw/zinc/08/16/34/625081634.db2.gz BTVGHVOHIWPLAJ-UHFFFAOYSA-N 1 0 282.815 3.010 20 10 CGCDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccccc1O ZINC000189288059 625100278 /nfs/dbraw/zinc/10/02/78/625100278.db2.gz ZCOHEAQSUFUPLC-ZDUSSCGKSA-N 1 0 266.344 3.457 20 10 CGCDRO CC/C=C/CC[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000184412351 625233535 /nfs/dbraw/zinc/23/35/35/625233535.db2.gz DQVKIDYTAUYHIO-SNAWJCMRSA-N 1 0 288.435 3.311 20 10 CGCDRO FC(F)(F)CCC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921803224 625881745 /nfs/dbraw/zinc/88/17/45/625881745.db2.gz OGTNCRAXEZMXFV-UHFFFAOYSA-N 1 0 273.298 3.444 20 10 CGCDRO COC1CCC(C[NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000921816081 625888313 /nfs/dbraw/zinc/88/83/13/625888313.db2.gz PNRNLCOLBGPKAR-UHFFFAOYSA-N 1 0 289.419 3.306 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)[C@H](O)c1ccccc1 ZINC000922136432 625972018 /nfs/dbraw/zinc/97/20/18/625972018.db2.gz WQZQWOALXQJILN-LIRRHRJNSA-N 1 0 297.398 3.223 20 10 CGCDRO CCOc1cccc(C[NH2+]C(C)(C)/C=C\Cl)c1O ZINC000922649869 626026146 /nfs/dbraw/zinc/02/61/46/626026146.db2.gz ZYALNWARRDICOV-HJWRWDBZSA-N 1 0 269.772 3.412 20 10 CGCDRO COc1ccc(C[NH2+]C[C@@H]2C[C@H]2C(F)(F)F)cc1C ZINC000922732116 626040707 /nfs/dbraw/zinc/04/07/07/626040707.db2.gz MEVSCHFFMQEVOQ-NWDGAFQWSA-N 1 0 273.298 3.292 20 10 CGCDRO CCC[C@H](O)CC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000922825822 626049983 /nfs/dbraw/zinc/04/99/83/626049983.db2.gz PODXNYWQZIVRJP-SFHVURJKSA-N 1 0 290.451 3.318 20 10 CGCDRO COC[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(C)C ZINC000086682795 626083821 /nfs/dbraw/zinc/08/38/21/626083821.db2.gz HHDJKVNTFJUJLJ-BBRMVZONSA-N 1 0 264.413 3.074 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C2([C@H]3CCCCO3)CC2)cc1C ZINC000923028722 626123836 /nfs/dbraw/zinc/12/38/36/626123836.db2.gz BMFQEOGPJDQPLE-MRXNPFEDSA-N 1 0 275.392 3.200 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)c1O ZINC000839191639 626328579 /nfs/dbraw/zinc/32/85/79/626328579.db2.gz IVINVXBVOXANQL-RYUDHWBXSA-N 1 0 269.797 3.044 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2c(O)ccc3ccncc32)[C@@H]1C ZINC000751945179 626412673 /nfs/dbraw/zinc/41/26/73/626412673.db2.gz YHIGYJPDTDKMRN-VXGBXAGGSA-N 1 0 256.349 3.171 20 10 CGCDRO CC[C@@H]1CC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000755922829 626661484 /nfs/dbraw/zinc/66/14/84/626661484.db2.gz JVHZPGSFQDXJQH-GFCCVEGCSA-N 1 0 256.349 3.172 20 10 CGCDRO C[C@H]1C[C@H]([NH2+]CCc2ccccn2)c2c1c(F)ccc2O ZINC000756339672 626693547 /nfs/dbraw/zinc/69/35/47/626693547.db2.gz BZIVFUFGGPVXGA-FZMZJTMJSA-N 1 0 286.350 3.307 20 10 CGCDRO C[C@H](Cc1cnccn1)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000756496888 626710169 /nfs/dbraw/zinc/71/01/69/626710169.db2.gz YJBKJRNSRCRCFE-MNOVXSKESA-N 1 0 291.782 3.117 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000756516125 626711099 /nfs/dbraw/zinc/71/10/99/626711099.db2.gz PWRRATQAVFVMQX-GFCCVEGCSA-N 1 0 299.370 3.187 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(CC3CC3)C2)c(O)c1C ZINC000756556718 626714313 /nfs/dbraw/zinc/71/43/13/626714313.db2.gz XMWRQTWOHYPDHC-GOEBONIOSA-N 1 0 288.435 3.144 20 10 CGCDRO CO[C@H](C[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F)C(C)C ZINC000756626390 626721331 /nfs/dbraw/zinc/72/13/31/626721331.db2.gz ORGZXQGYIFUVRN-VHRBIJSZSA-N 1 0 281.371 3.340 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)c1cc(F)ccc1O)C1CCOCC1 ZINC000756627364 626721434 /nfs/dbraw/zinc/72/14/34/626721434.db2.gz HPMPOTCCWQZOET-ABAIWWIYSA-N 1 0 281.371 3.387 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](C)c2ccncc2)c1 ZINC000756636989 626722427 /nfs/dbraw/zinc/72/24/27/626722427.db2.gz YKTXEHKUDOTOQC-STQMWFEESA-N 1 0 286.375 3.250 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](CO)CC2)c(O)c1C ZINC000756648858 626724094 /nfs/dbraw/zinc/72/40/94/626724094.db2.gz ZJFHDZWNAPRLMN-SOUVJXGZSA-N 1 0 277.408 3.211 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]CC(C)(C)CCCO)c2c1c(F)ccc2O ZINC000756665427 626726186 /nfs/dbraw/zinc/72/61/86/626726186.db2.gz WKBFIPDTVIGQCA-DGCLKSJQSA-N 1 0 295.398 3.468 20 10 CGCDRO CC(C)[C@H](O)C1(C[NH2+][C@H](C)c2cc(Cl)ccc2O)CC1 ZINC000756789594 626732349 /nfs/dbraw/zinc/73/23/49/626732349.db2.gz HUSJLBSJULUBEW-ABAIWWIYSA-N 1 0 297.826 3.493 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]CCCCCCO)c2c1c(F)ccc2O ZINC000756790863 626732392 /nfs/dbraw/zinc/73/23/92/626732392.db2.gz PMVVSIRSEHXLNW-DGCLKSJQSA-N 1 0 281.371 3.222 20 10 CGCDRO CO[C@@H]1[C@H](C)[C@H]([NH2+][C@H](C)c2cc(C)ccc2O)C1(C)C ZINC000756788114 626732728 /nfs/dbraw/zinc/73/27/28/626732728.db2.gz BDPQSCFNNXKKEP-AVRGHOLYSA-N 1 0 277.408 3.411 20 10 CGCDRO C[C@H]1C[C@@H]([NH2+]CCOC(C)(C)C)c2c1c(F)ccc2O ZINC000756817726 626734712 /nfs/dbraw/zinc/73/47/12/626734712.db2.gz NIIOHEKZUIFMCM-CMPLNLGQSA-N 1 0 281.371 3.484 20 10 CGCDRO C[N@H+](CCN1CCCc2ccccc21)Cc1ccccc1O ZINC000761679858 627055906 /nfs/dbraw/zinc/05/59/06/627055906.db2.gz IFAVHTJSDWKWMW-UHFFFAOYSA-N 1 0 296.414 3.277 20 10 CGCDRO CC(C)[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)C1CC1 ZINC000765475417 627252236 /nfs/dbraw/zinc/25/22/36/627252236.db2.gz UBOQRMOTIINCIX-INIZCTEOSA-N 1 0 264.388 3.416 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](OC(C)C)C2(C)C)c(O)c1 ZINC000766089770 627294775 /nfs/dbraw/zinc/29/47/75/627294775.db2.gz RAOACBIMXIKOPC-HOTGVXAUSA-N 1 0 293.407 3.083 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000766166433 627300650 /nfs/dbraw/zinc/30/06/50/627300650.db2.gz QWMTWXOTPBQQRH-ZOBUZTSGSA-N 1 0 289.467 3.276 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCN(C)[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000766165934 627300908 /nfs/dbraw/zinc/30/09/08/627300908.db2.gz MTULGFBMKLCAQU-HFTRVMKXSA-N 1 0 289.467 3.276 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCOC3(CCC3)C2)cc1F ZINC000767928805 627444958 /nfs/dbraw/zinc/44/49/58/627444958.db2.gz SFKYHEUVVPDFDJ-CQSZACIVSA-N 1 0 292.398 3.083 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CCc2sccc2C1 ZINC000768227984 627469445 /nfs/dbraw/zinc/46/94/45/627469445.db2.gz XEMVZYQDKQMQAM-UHFFFAOYSA-N 1 0 275.373 3.021 20 10 CGCDRO CC[N@H+](CCc1ccccc1)Cc1c(O)cccc1OC ZINC000768335404 627474139 /nfs/dbraw/zinc/47/41/39/627474139.db2.gz OCULGNQKVPKMMY-UHFFFAOYSA-N 1 0 285.387 3.465 20 10 CGCDRO COc1cc(C[NH+]2CCC(OC(C)C)CC2)c(O)cc1C ZINC000768453464 627480866 /nfs/dbraw/zinc/48/08/66/627480866.db2.gz YBLVOOQPASKDMQ-UHFFFAOYSA-N 1 0 293.407 3.099 20 10 CGCDRO COC(=O)CC[N@@H+](Cc1cc(Cl)ccc1O)CC(C)C ZINC000768852143 627504189 /nfs/dbraw/zinc/50/41/89/627504189.db2.gz GGWOLLQSYNEKAC-UHFFFAOYSA-N 1 0 299.798 3.067 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@H]1C1CCC1 ZINC000769236715 627532537 /nfs/dbraw/zinc/53/25/37/627532537.db2.gz CDSLFJFZTUKZBG-AWEZNQCLSA-N 1 0 261.365 3.165 20 10 CGCDRO CCN(CC)c1ccc(CN2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000769302716 627538056 /nfs/dbraw/zinc/53/80/56/627538056.db2.gz WPXGKOMNSSOVDN-SFHVURJKSA-N 1 0 289.467 3.059 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000769425022 627550887 /nfs/dbraw/zinc/55/08/87/627550887.db2.gz BOGFHRIZYFQSBE-MRXNPFEDSA-N 1 0 298.386 3.441 20 10 CGCDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2c(O)cccc2OC)C1(C)C ZINC000769474117 627557900 /nfs/dbraw/zinc/55/79/00/627557900.db2.gz RTZIHBOSAKCTEC-CVEARBPZSA-N 1 0 293.407 3.036 20 10 CGCDRO C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000770284221 627611598 /nfs/dbraw/zinc/61/15/98/627611598.db2.gz OBUTUVNUSPHCJL-NWDGAFQWSA-N 1 0 250.361 3.122 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](C(C)C)C2)c1 ZINC000770305726 627612671 /nfs/dbraw/zinc/61/26/71/627612671.db2.gz JTQLKPBKOHGPIV-CYBMUJFWSA-N 1 0 263.381 3.269 20 10 CGCDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2cc(C)ccc2O)C12CCC2 ZINC000770352211 627615064 /nfs/dbraw/zinc/61/50/64/627615064.db2.gz MXYUAXBKJNSDFN-DLBZAZTESA-N 1 0 289.419 3.480 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC000770510072 627623537 /nfs/dbraw/zinc/62/35/37/627623537.db2.gz WZKIZXDUNJRMMJ-KRWDZBQOSA-N 1 0 283.371 3.436 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)C[C@@](C)(O)c2ccccc2)cc1 ZINC000771529047 627717318 /nfs/dbraw/zinc/71/73/18/627717318.db2.gz UDIFIGMDHDVQJT-LJQANCHMSA-N 1 0 298.430 3.092 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2CC[C@H](O)CC2)cc1 ZINC000773102368 627856233 /nfs/dbraw/zinc/85/62/33/627856233.db2.gz MCFVYOACUNLZLK-FRFSOERESA-N 1 0 276.424 3.097 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cc(C)ncn1)c1ccc(N(C)C)cc1 ZINC000773105672 627857012 /nfs/dbraw/zinc/85/70/12/627857012.db2.gz ILGFIRRQCFDQQS-QGZVFWFLSA-N 1 0 284.407 3.092 20 10 CGCDRO CCN(C)c1ccc(C[N@H+](CCO)Cc2ccccc2)cc1 ZINC000773750406 627910415 /nfs/dbraw/zinc/91/04/15/627910415.db2.gz ZEZIZRXCTOMCQE-UHFFFAOYSA-N 1 0 298.430 3.137 20 10 CGCDRO CCOCC[N@H+](CC)Cc1ccc(N(C)CC)cc1 ZINC000773756440 627911486 /nfs/dbraw/zinc/91/14/86/627911486.db2.gz LGFXDWSYOWNIFO-UHFFFAOYSA-N 1 0 264.413 3.001 20 10 CGCDRO CCN(C)c1ccc(C[NH+]2CCC(c3cn[nH]c3)CC2)cc1 ZINC000773758028 627912062 /nfs/dbraw/zinc/91/20/62/627912062.db2.gz VYLRIBOUYROXCC-UHFFFAOYSA-N 1 0 298.434 3.245 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC000773783760 627915564 /nfs/dbraw/zinc/91/55/64/627915564.db2.gz FGVUJEZMDLSQRY-IAGOWNOFSA-N 1 0 288.435 3.001 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCOC[C@]2(C)CC)cc1 ZINC000773829254 627917402 /nfs/dbraw/zinc/91/74/02/627917402.db2.gz ZVJFGWRPPIOKKC-KRWDZBQOSA-N 1 0 276.424 3.144 20 10 CGCDRO CCN(C)c1ccc(C[N@H+](C)C[C@@H]2CCCC[C@H]2O)cc1 ZINC000773832086 627917899 /nfs/dbraw/zinc/91/78/99/627917899.db2.gz MSNIZZFWFNDESO-FUHWJXTLSA-N 1 0 290.451 3.126 20 10 CGCDRO C[C@H]([NH2+]C[C@@H](O)c1ccccc1Cl)c1ccccc1O ZINC000775129636 628066219 /nfs/dbraw/zinc/06/62/19/628066219.db2.gz HJLMGMZOCTXKKB-MEDUHNTESA-N 1 0 291.778 3.430 20 10 CGCDRO CCCN(c1ccc(C[NH3+])cc1)C1CC(OC(C)C)C1 ZINC000775141072 628066995 /nfs/dbraw/zinc/06/69/95/628066995.db2.gz VPJQOLRPZLLYNU-UHFFFAOYSA-N 1 0 276.424 3.318 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H](O)C(F)(F)F)c1cc(Cl)ccc1O ZINC000775494097 628101045 /nfs/dbraw/zinc/10/10/45/628101045.db2.gz YCDKTSPKUKTTKW-KOLCDFICSA-N 1 0 297.704 3.010 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H](CC)CCO)c1cc(Cl)ccc1O ZINC000775513908 628102466 /nfs/dbraw/zinc/10/24/66/628102466.db2.gz WFANCYIMARHQEL-SMDDNHRTSA-N 1 0 285.815 3.495 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H]2c2cc(C)no2)c1 ZINC000775655648 628119935 /nfs/dbraw/zinc/11/99/35/628119935.db2.gz JPBPPRGJMRFKCR-CQSZACIVSA-N 1 0 288.347 3.034 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CCCC[C@H](C)C2)c(O)c1 ZINC000775995481 628156434 /nfs/dbraw/zinc/15/64/34/628156434.db2.gz DXENVRYZHCOGEZ-ZDUSSCGKSA-N 1 0 263.381 3.413 20 10 CGCDRO CO[C@@H]1[C@H](C)[C@H]([NH2+][C@H](C)c2ccc(N(C)C)cc2)C1(C)C ZINC000776167041 628174457 /nfs/dbraw/zinc/17/44/57/628174457.db2.gz JLHPNKHTJBPLIZ-UTJXIGIESA-N 1 0 290.451 3.463 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCC[C@H]2OC)cc1F ZINC000776174044 628175972 /nfs/dbraw/zinc/17/59/72/628175972.db2.gz ZJDOEVJSFDDIRN-DOTOQJQBSA-N 1 0 294.414 3.329 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]Cc1ccc(Cl)cn1 ZINC000776254708 628185145 /nfs/dbraw/zinc/18/51/45/628185145.db2.gz KSVNOSFICMSFSL-UHFFFAOYSA-N 1 0 283.158 3.384 20 10 CGCDRO CCCN(CCC)c1ccc(C[N@H+](C)C[C@@H](C)O)cc1 ZINC000776520613 628216318 /nfs/dbraw/zinc/21/63/18/628216318.db2.gz CLAGOTGMMFKRRX-OAHLLOKOSA-N 1 0 278.440 3.126 20 10 CGCDRO CC(C)C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)CCO1 ZINC000776948032 628240804 /nfs/dbraw/zinc/24/08/04/628240804.db2.gz BQPMBAMEVOMDJF-IAGOWNOFSA-N 1 0 289.419 3.305 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](C(C)(C)C)[C@@H](O)C2)cc1C ZINC000779431849 628413116 /nfs/dbraw/zinc/41/31/16/628413116.db2.gz FOQSZXSMDLCXNM-RDJZCZTQSA-N 1 0 291.435 3.238 20 10 CGCDRO CC(C)(C)[C@H]1CC[N@H+](Cc2c(O)cccc2Cl)C[C@@H]1O ZINC000779432258 628413425 /nfs/dbraw/zinc/41/34/25/628413425.db2.gz QDERGUVXKVBSGT-WFASDCNBSA-N 1 0 297.826 3.275 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000781533226 628568674 /nfs/dbraw/zinc/56/86/74/628568674.db2.gz ZUUYOLKKGTUHTM-LLVKDONJSA-N 1 0 291.725 3.249 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000781930416 628606418 /nfs/dbraw/zinc/60/64/18/628606418.db2.gz WSERUMOJDXJCHE-SUMWQHHRSA-N 1 0 275.392 3.413 20 10 CGCDRO Cc1ccn2cc(C[NH2+][C@H](C)c3ccccc3O)nc2c1 ZINC000783508722 628719507 /nfs/dbraw/zinc/71/95/07/628719507.db2.gz KFDBDHLSQFONLT-CYBMUJFWSA-N 1 0 281.359 3.199 20 10 CGCDRO CC(C)[N@H+](CC[C@@H]1CCOC1)Cc1ccc(N(C)C)cc1 ZINC000783525015 628722178 /nfs/dbraw/zinc/72/21/78/628722178.db2.gz ZAKUFOXPDLEOSM-QGZVFWFLSA-N 1 0 290.451 3.390 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]CC[C@H]2CCCO2)c(O)c1 ZINC000788506627 628827801 /nfs/dbraw/zinc/82/78/01/628827801.db2.gz KSFFUPCXISSDDQ-UONOGXRCSA-N 1 0 263.381 3.229 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C2)cc1 ZINC000785765438 628886761 /nfs/dbraw/zinc/88/67/61/628886761.db2.gz HUZKQIUIUXDQKH-GFCCVEGCSA-N 1 0 272.314 3.137 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](CO)Cc2ccccc2C)cc1C ZINC000786156351 628917038 /nfs/dbraw/zinc/91/70/38/628917038.db2.gz COUPGQLSMJWSMH-GOSISDBHSA-N 1 0 299.414 3.005 20 10 CGCDRO CN(C)c1ccc(C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)cc1 ZINC000788507813 629060718 /nfs/dbraw/zinc/06/07/18/629060718.db2.gz QGKDWVXQYBETIQ-UHFFFAOYSA-N 1 0 296.374 3.026 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H]1CC[C@H](O)C1)c1cc(Cl)ccc1O ZINC000788984250 629093891 /nfs/dbraw/zinc/09/38/91/629093891.db2.gz JGDNANWNDSYISK-OSMZGAPFSA-N 1 0 283.799 3.247 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)c1 ZINC000789518401 629141452 /nfs/dbraw/zinc/14/14/52/629141452.db2.gz YPURXXPSVDKGPX-HOTGVXAUSA-N 1 0 275.392 3.152 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCO[C@@H](C(C)(C)C)C2)cc1C ZINC000790417577 629210156 /nfs/dbraw/zinc/21/01/56/629210156.db2.gz UOAWNOLYGVCJQN-MRXNPFEDSA-N 1 0 277.408 3.256 20 10 CGCDRO C[C@H](O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000790934291 629242236 /nfs/dbraw/zinc/24/22/36/629242236.db2.gz JTRNMIXARRXQNA-ZFWWWQNUSA-N 1 0 294.414 3.017 20 10 CGCDRO CN(C)c1cc(F)c(C[NH+]2C3CCC2CC3)cc1F ZINC000862215167 629323678 /nfs/dbraw/zinc/32/36/78/629323678.db2.gz FEQTZYQNWWMKPV-UHFFFAOYSA-N 1 0 266.335 3.158 20 10 CGCDRO CCC[N@H+](Cc1cccc(C)c1O)[C@H](CC)C(=O)OCC ZINC000792184530 629346160 /nfs/dbraw/zinc/34/61/60/629346160.db2.gz BTDQCZSXZOWUKW-OAHLLOKOSA-N 1 0 293.407 3.254 20 10 CGCDRO COCC[N@H+](Cc1ccc(N(C)C)cc1)[C@H]1CC[C@@H](C)C1 ZINC000792192130 629346720 /nfs/dbraw/zinc/34/67/20/629346720.db2.gz DMHYNSICWAYVBD-QAPCUYQASA-N 1 0 290.451 3.390 20 10 CGCDRO COc1ccc(O)c(C[N@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)c1 ZINC000862442254 629374516 /nfs/dbraw/zinc/37/45/16/629374516.db2.gz GZQJGAKAGVLUMO-PHIMTYICSA-N 1 0 285.334 3.124 20 10 CGCDRO Cc1cccc(C[N@@H+]2CC[C@H](c3ccc(O)cc3)C2)c1O ZINC000862541277 629395957 /nfs/dbraw/zinc/39/59/57/629395957.db2.gz RSHDWPAAEJSGII-HNNXBMFYSA-N 1 0 283.371 3.396 20 10 CGCDRO Cc1ccc(CCC[NH2+]Cc2ccc3c(c2)CCO3)cn1 ZINC000792951410 629397466 /nfs/dbraw/zinc/39/74/66/629397466.db2.gz SJSOVKUHMHOPOD-UHFFFAOYSA-N 1 0 282.387 3.047 20 10 CGCDRO Cc1cccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)c1O ZINC000793230600 629433321 /nfs/dbraw/zinc/43/33/21/629433321.db2.gz GWKOFLHYQZRHTI-ZYHUDNBSSA-N 1 0 273.298 3.473 20 10 CGCDRO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1cc(F)ccc1O ZINC000793231040 629433630 /nfs/dbraw/zinc/43/36/30/629433630.db2.gz JMPKZKMJGYSETK-LDYMZIIASA-N 1 0 277.261 3.304 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CC(C)(C)C[C@@H]2C)c(O)c1 ZINC000793389661 629453791 /nfs/dbraw/zinc/45/37/91/629453791.db2.gz LMVLLLZPFMCIPZ-SMDDNHRTSA-N 1 0 263.381 3.315 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c1O ZINC000793525300 629475204 /nfs/dbraw/zinc/47/52/04/629475204.db2.gz HXOHLRFGUZWAGR-DZGCQCFKSA-N 1 0 297.345 3.186 20 10 CGCDRO CCOC1(C)CC[NH+](Cc2cc(C)cc(C)c2O)CC1 ZINC000793541392 629479564 /nfs/dbraw/zinc/47/95/64/629479564.db2.gz CYNHFDNJVWFZIU-UHFFFAOYSA-N 1 0 277.408 3.400 20 10 CGCDRO Cc1cc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)nc(C)n1 ZINC000793567980 629484671 /nfs/dbraw/zinc/48/46/71/629484671.db2.gz MXDUXKGQGQLWOP-ZDUSSCGKSA-N 1 0 284.407 3.010 20 10 CGCDRO C[C@H]([NH2+]CCc1ccc2c[nH]nc2c1)c1cc(F)ccc1O ZINC000793567850 629485076 /nfs/dbraw/zinc/48/50/76/629485076.db2.gz KAAZIWQDAIVQNS-NSHDSACASA-N 1 0 299.349 3.301 20 10 CGCDRO COc1cc(C[N@@H+]2CCC[C@H](CSC)C2)c(O)cc1C ZINC000793795965 629501921 /nfs/dbraw/zinc/50/19/21/629501921.db2.gz JDJQXLYBOKWBQD-ZDUSSCGKSA-N 1 0 295.448 3.284 20 10 CGCDRO Cc1cnc([C@@H](C)[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000793906996 629507728 /nfs/dbraw/zinc/50/77/28/629507728.db2.gz JOSAYMYUQDNLBY-UONOGXRCSA-N 1 0 284.407 3.263 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCO[C@H](CCF)C2)cc1C(C)C ZINC000863316207 629532044 /nfs/dbraw/zinc/53/20/44/629532044.db2.gz LFKHNQAFTPVXHT-OAHLLOKOSA-N 1 0 295.398 3.384 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H]1CCCN1CC)c1ccc(C)cc1O ZINC000794796582 629578150 /nfs/dbraw/zinc/57/81/50/629578150.db2.gz VJZVLOUHXXUUJY-HOCLYGCPSA-N 1 0 276.424 3.226 20 10 CGCDRO CC[C@H]([NH2+]C[C@H](O)c1ccco1)c1ccc(C)cc1O ZINC000794796966 629578524 /nfs/dbraw/zinc/57/85/24/629578524.db2.gz YTMVIXPYTXTRPJ-ZFWWWQNUSA-N 1 0 275.348 3.068 20 10 CGCDRO CCCN(CC)CC[NH2+][C@@H](CC)c1ccc(C)cc1O ZINC000794806247 629580460 /nfs/dbraw/zinc/58/04/60/629580460.db2.gz ZKRSCBRLAGJDCI-INIZCTEOSA-N 1 0 278.440 3.473 20 10 CGCDRO CC[C@@H]([NH2+]CC[C@H]1CCOC1)c1ccc(C)cc1O ZINC000794819788 629582147 /nfs/dbraw/zinc/58/21/47/629582147.db2.gz YCRJHRQMGQBBDS-DZGCQCFKSA-N 1 0 263.381 3.168 20 10 CGCDRO CN(C)c1ccc(C[NH+]2CCC(C3CC3)CC2)cc1 ZINC000794893979 629595436 /nfs/dbraw/zinc/59/54/36/629595436.db2.gz UEIAUXOWBAXYPF-UHFFFAOYSA-N 1 0 258.409 3.375 20 10 CGCDRO CC[C@H](N[C@@H]1CC[NH2+][C@H]1CC)c1cc(Cl)ccc1O ZINC000863543742 629602932 /nfs/dbraw/zinc/60/29/32/629602932.db2.gz XCNFTNGPGSJOAJ-MELADBBJSA-N 1 0 282.815 3.227 20 10 CGCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CC(C)=C[C@@H](C)C2)c1O ZINC000797526279 629956693 /nfs/dbraw/zinc/95/66/93/629956693.db2.gz LAIVIGAQIQLHRJ-SNVBAGLBSA-N 1 0 277.339 3.132 20 10 CGCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H](c3ccccn3)C1)CCC2 ZINC000799158891 630150741 /nfs/dbraw/zinc/15/07/41/630150741.db2.gz ARIUZVLXKIYTTG-INIZCTEOSA-N 1 0 294.398 3.265 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCO[C@H]2c2ccccc2)c1 ZINC000865650626 630254072 /nfs/dbraw/zinc/25/40/72/630254072.db2.gz NEAUBVLUCZSYSA-AEFFLSMTSA-N 1 0 283.371 3.320 20 10 CGCDRO CCCC[N@H+](Cc1nccn1CC)Cc1ccccc1O ZINC000801594696 630346850 /nfs/dbraw/zinc/34/68/50/630346850.db2.gz KZQJUWVJAGGYSL-UHFFFAOYSA-N 1 0 287.407 3.411 20 10 CGCDRO CCOc1ccc(C[NH2+][C@H](C)c2cnc(C)s2)c(O)c1 ZINC000865701679 630397015 /nfs/dbraw/zinc/39/70/15/630397015.db2.gz OWCCREHDXGGYKX-SNVBAGLBSA-N 1 0 292.404 3.407 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2CC[C@H]2C2CCC2)c(O)c1 ZINC000802651700 630402310 /nfs/dbraw/zinc/40/23/10/630402310.db2.gz XXNQYMFXUSUQNM-GJZGRUSLSA-N 1 0 261.365 3.069 20 10 CGCDRO CC1C[NH+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000802651037 630402345 /nfs/dbraw/zinc/40/23/45/630402345.db2.gz HPBDQJWFKHLAMZ-UHFFFAOYSA-N 1 0 283.371 3.423 20 10 CGCDRO CCCC[N@@H+](Cc1ccccc1O)C[C@H](C)COC ZINC000802657698 630404005 /nfs/dbraw/zinc/40/40/05/630404005.db2.gz NVPHMQJCUTZLNM-AWEZNQCLSA-N 1 0 265.397 3.277 20 10 CGCDRO CN(C)c1ccc(C[NH2+]Cc2cccc3c2CCOC3)cc1 ZINC000865725077 630476319 /nfs/dbraw/zinc/47/63/19/630476319.db2.gz CDZAKXJZZOAPDP-UHFFFAOYSA-N 1 0 296.414 3.115 20 10 CGCDRO Cc1cc(O)c(C[NH2+]Cc2cccc3c2CCOC3)cc1C ZINC000865724952 630476374 /nfs/dbraw/zinc/47/63/74/630476374.db2.gz ADMFUIPXNPPTGC-UHFFFAOYSA-N 1 0 297.398 3.372 20 10 CGCDRO CO[C@@H](C)CC[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808690654 630664634 /nfs/dbraw/zinc/66/46/34/630664634.db2.gz MUZKRKROPUVNHR-WDEREUQCSA-N 1 0 271.788 3.430 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2(C)COC2)c1O ZINC000808695352 630665762 /nfs/dbraw/zinc/66/57/62/630665762.db2.gz MHVWCIBFEQMITG-SNVBAGLBSA-N 1 0 269.772 3.041 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](C)c2cnn(C)c2)c1O ZINC000808698703 630666397 /nfs/dbraw/zinc/66/63/97/630666397.db2.gz KKICYUBHGLQMRE-WDEREUQCSA-N 1 0 293.798 3.499 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCC2(O)CCC2)c1O ZINC000808716961 630670484 /nfs/dbraw/zinc/67/04/84/630670484.db2.gz AIIYZJKVKIBCMF-LLVKDONJSA-N 1 0 283.799 3.310 20 10 CGCDRO Cc1ccc([C@H](O)[C@@H](C)[NH2+]Cc2cc(F)ccc2O)cc1 ZINC000809701816 630785579 /nfs/dbraw/zinc/78/55/79/630785579.db2.gz LZFQRQYMWVAVCQ-SJKOYZFVSA-N 1 0 289.350 3.051 20 10 CGCDRO CCC[N@H+](CCN1CCCCC1)Cc1cccc(C)c1O ZINC000809705001 630787183 /nfs/dbraw/zinc/78/71/83/630787183.db2.gz LBUXJGPPBCTFMF-UHFFFAOYSA-N 1 0 290.451 3.399 20 10 CGCDRO Cc1noc([C@H]2CCCC[N@@H+]2Cc2cccc(C)c2O)n1 ZINC000809718886 630791471 /nfs/dbraw/zinc/79/14/71/630791471.db2.gz QZJNJEPTZNVLKW-CQSZACIVSA-N 1 0 287.363 3.119 20 10 CGCDRO COC(=O)c1ccc(C[NH2+]Cc2cc(C)c(C)cc2O)cc1 ZINC000809733392 630795195 /nfs/dbraw/zinc/79/51/95/630795195.db2.gz VIFDHRDITVOLKR-UHFFFAOYSA-N 1 0 299.370 3.085 20 10 CGCDRO COc1cccc(C[NH2+]C[C@@H]2C(C)=CCC[C@@H]2C)c1O ZINC000809740398 630796861 /nfs/dbraw/zinc/79/68/61/630796861.db2.gz XQKCREMUCWPQNQ-DZGCQCFKSA-N 1 0 275.392 3.483 20 10 CGCDRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000809768248 630803712 /nfs/dbraw/zinc/80/37/12/630803712.db2.gz GHDWPZRIXQHBHW-DOTOQJQBSA-N 1 0 288.435 3.286 20 10 CGCDRO CCC[N@H+](CC)C[C@H](C)NCc1c(O)cccc1Cl ZINC000810180770 630851317 /nfs/dbraw/zinc/85/13/17/630851317.db2.gz LCWHIMILWXVXMJ-LBPRGKRZSA-N 1 0 284.831 3.256 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)CCO)c1ccc(C(F)(F)F)cc1O ZINC000810219580 630856244 /nfs/dbraw/zinc/85/62/44/630856244.db2.gz TYQBHNISCDUXLQ-SKDRFNHKSA-N 1 0 291.313 3.223 20 10 CGCDRO CO[C@H](C)[C@@H](C)[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000810257411 630860039 /nfs/dbraw/zinc/86/00/39/630860039.db2.gz QGHMWKXPRKMKSR-GMTAPVOTSA-N 1 0 271.788 3.428 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CC(C)(C)[C@@H]2C2CC2)c1 ZINC000811513786 631081331 /nfs/dbraw/zinc/08/13/31/631081331.db2.gz QACRIGWONUQOBI-INIZCTEOSA-N 1 0 275.392 3.411 20 10 CGCDRO Cc1cc(O)c(C[NH2+]Cc2ccc3cnn(C)c3c2)cc1C ZINC000812771696 631304476 /nfs/dbraw/zinc/30/44/76/631304476.db2.gz FZVGHWXGZWAGBG-UHFFFAOYSA-N 1 0 295.386 3.186 20 10 CGCDRO C=Cc1ccc(CC[NH2+]Cc2ccccc2O)cc1 ZINC000812772947 631305215 /nfs/dbraw/zinc/30/52/15/631305215.db2.gz NQRPBTBHRJPRRG-UHFFFAOYSA-N 1 0 253.345 3.368 20 10 CGCDRO CCC[NH+](CCC)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876525909 634851073 /nfs/dbraw/zinc/85/10/73/634851073.db2.gz MNHZNFZTHIKTDY-UHFFFAOYSA-N 1 0 290.451 3.270 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CC(C)(C)COC)cc1 ZINC000813882784 631476544 /nfs/dbraw/zinc/47/65/44/631476544.db2.gz KEVBUCRTGGRUHB-AWEZNQCLSA-N 1 0 278.440 3.466 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CC2(CCC2)[C@@H]1C(C)C ZINC000814170674 631537271 /nfs/dbraw/zinc/53/72/71/631537271.db2.gz BVNPOKVQCJTNHS-INIZCTEOSA-N 1 0 275.392 3.411 20 10 CGCDRO Cc1cc(C[N@H+]2CCSC[C@@H](C)C2)ccc1N(C)C ZINC000815102567 631717531 /nfs/dbraw/zinc/71/75/31/631717531.db2.gz QCARSMYHFXWKSG-ZDUSSCGKSA-N 1 0 278.465 3.246 20 10 CGCDRO Cc1cc(C[N@H+]2CCCC[C@H]2C[C@H](C)O)ccc1N(C)C ZINC000815103411 631717971 /nfs/dbraw/zinc/71/79/71/631717971.db2.gz PXGONUWHFJPSFV-RDJZCZTQSA-N 1 0 290.451 3.186 20 10 CGCDRO CCOC1CC([N@H+](C)Cc2ccc(N(C)CC)cc2)C1 ZINC000815119038 631721547 /nfs/dbraw/zinc/72/15/47/631721547.db2.gz VSMMUANQWNGFBJ-UHFFFAOYSA-N 1 0 276.424 3.142 20 10 CGCDRO CC1(C)CCC[C@@]1(O)C[NH2+]Cc1cc(Cl)ccc1O ZINC000815146728 631729425 /nfs/dbraw/zinc/72/94/25/631729425.db2.gz JZZGFTBFYNDHLH-OAHLLOKOSA-N 1 0 283.799 3.076 20 10 CGCDRO OC[C@H](C[NH2+]Cc1c(O)cccc1Cl)C1CCCCC1 ZINC000815151318 631731899 /nfs/dbraw/zinc/73/18/99/631731899.db2.gz XQOKFWVTQHRFCF-ZDUSSCGKSA-N 1 0 297.826 3.324 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CCCCO2)c(O)c1 ZINC000815566181 631796737 /nfs/dbraw/zinc/79/67/37/631796737.db2.gz LFGMWUWOPWUDOX-KBPBESRZSA-N 1 0 263.381 3.229 20 10 CGCDRO C[C@H](F)CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000815645503 631811265 /nfs/dbraw/zinc/81/12/65/631811265.db2.gz HUQJSZIYFJOORD-STQMWFEESA-N 1 0 298.377 3.061 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCc2nccnc2C)cc1 ZINC000815651589 631813686 /nfs/dbraw/zinc/81/36/86/631813686.db2.gz XEEIRHPDARFNAO-AWEZNQCLSA-N 1 0 298.434 3.134 20 10 CGCDRO CC[C@H]1C[N@H+](Cc2ccc3ccccc3c2O)CCO1 ZINC000816483837 631988982 /nfs/dbraw/zinc/98/89/82/631988982.db2.gz HCTVTYMFPJKULO-HNNXBMFYSA-N 1 0 271.360 3.156 20 10 CGCDRO CN(C)[C@H]1CCC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816501308 631995793 /nfs/dbraw/zinc/99/57/93/631995793.db2.gz FBMTVAJMLDMNLV-INIZCTEOSA-N 1 0 284.403 3.071 20 10 CGCDRO CCC(O)(CC)C[NH2+]Cc1ccc2ccccc2c1O ZINC000816544114 632007180 /nfs/dbraw/zinc/00/71/80/632007180.db2.gz XUXAVRKTWYPLTA-UHFFFAOYSA-N 1 0 273.376 3.186 20 10 CGCDRO CC(C)(C)OCC[NH2+]Cc1ccc2ccccc2c1O ZINC000816544024 632007897 /nfs/dbraw/zinc/00/78/97/632007897.db2.gz VNQHLATUXWZMLP-UHFFFAOYSA-N 1 0 273.376 3.450 20 10 CGCDRO C[C@@H](O)[C@@H]1CCC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816564366 632013232 /nfs/dbraw/zinc/01/32/32/632013232.db2.gz COEVEDSMEQGISL-UKRRQHHQSA-N 1 0 285.387 3.138 20 10 CGCDRO Oc1c(C[NH2+]CCOCC2CCC2)ccc2ccccc21 ZINC000816570490 632016349 /nfs/dbraw/zinc/01/63/49/632016349.db2.gz VXJGVIXKZTUJRD-UHFFFAOYSA-N 1 0 285.387 3.452 20 10 CGCDRO Cc1cc(C[N@@H+]2CCC[C@@H](CCO)CC2)ccc1N(C)C ZINC000817297630 632117170 /nfs/dbraw/zinc/11/71/70/632117170.db2.gz TZCCVCGUDJRAEO-MRXNPFEDSA-N 1 0 290.451 3.046 20 10 CGCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H](C3CCCC3)C1)OCO2 ZINC000817369109 632133745 /nfs/dbraw/zinc/13/37/45/632133745.db2.gz RLQWWOWAQPOLGF-ZDUSSCGKSA-N 1 0 289.375 3.133 20 10 CGCDRO C[C@H]1C[C@@H]([NH2+]CCCC2(O)CCC2)c2c1c(F)ccc2O ZINC000817585186 632190105 /nfs/dbraw/zinc/19/01/05/632190105.db2.gz CCCPONMRYAHCGS-WCQYABFASA-N 1 0 293.382 3.364 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCCC2(O)CCC2)c(O)c1 ZINC000817585946 632192019 /nfs/dbraw/zinc/19/20/19/632192019.db2.gz KBNMEOQINNJYJO-ZDUSSCGKSA-N 1 0 263.381 3.046 20 10 CGCDRO CN(C)c1ccc([C@H](N)C[NH2+][C@H]2CCc3ccccc32)cc1 ZINC000817938893 632238650 /nfs/dbraw/zinc/23/86/50/632238650.db2.gz VFBAKPXUFXFHIS-MOPGFXCFSA-N 1 0 295.430 3.030 20 10 CGCDRO CC[C@H]([NH2+]C[C@H](N)c1ccccc1)c1ccccc1O ZINC000817954482 632249050 /nfs/dbraw/zinc/24/90/50/632249050.db2.gz DHSKFGLBLAJXCY-HOTGVXAUSA-N 1 0 270.376 3.133 20 10 CGCDRO CC[C@H]([NH2+]C[C@H](N)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000817954674 632249213 /nfs/dbraw/zinc/24/92/13/632249213.db2.gz GMCQXIWFESRTIH-OALUTQOASA-N 1 0 297.446 3.493 20 10 CGCDRO Cc1nc2c(s1)[C@H]([NH2+]CCc1ccc(N)cc1)CCC2 ZINC000817955424 632250221 /nfs/dbraw/zinc/25/02/21/632250221.db2.gz AKAHIAKCQDXSAT-CQSZACIVSA-N 1 0 287.432 3.243 20 10 CGCDRO CC(C)[C@@H]([NH2+]CCc1ccc(N)cc1)c1ccc(F)cn1 ZINC000817956994 632252027 /nfs/dbraw/zinc/25/20/27/632252027.db2.gz GZPMHTJHYHVQRT-QGZVFWFLSA-N 1 0 287.382 3.332 20 10 CGCDRO CCc1cccnc1[C@@H](C)[NH2+]CCc1ccc(N)cc1 ZINC000817957097 632252054 /nfs/dbraw/zinc/25/20/54/632252054.db2.gz IYADZYJHLNMKAX-CYBMUJFWSA-N 1 0 269.392 3.120 20 10 CGCDRO C[C@H](CCCc1cccnc1)[NH2+]CCc1ccc(N)cc1 ZINC000817957854 632252984 /nfs/dbraw/zinc/25/29/84/632252984.db2.gz PWZJVNITVJQWDS-OAHLLOKOSA-N 1 0 283.419 3.207 20 10 CGCDRO CCCC[C@@H](CN)[NH2+][C@H](CC)c1ccc(C)cc1O ZINC000817963065 632258775 /nfs/dbraw/zinc/25/87/75/632258775.db2.gz ROSXTMPNIWNYFJ-DZGCQCFKSA-N 1 0 264.413 3.259 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H](C)C[NH3+])c1ccc(Cl)c(Cl)c1[O-] ZINC000817963622 632259275 /nfs/dbraw/zinc/25/92/75/632259275.db2.gz WNCMJRVMUNUTQS-LDYMZIIASA-N 1 0 291.222 3.335 20 10 CGCDRO C[C@H](CCC[NH3+])[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000817977822 632268947 /nfs/dbraw/zinc/26/89/47/632268947.db2.gz PYJPMJTUEFATEA-BDAKNGLRSA-N 1 0 291.222 3.477 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H](CN)C2CCCC2)cc1 ZINC000817982473 632273265 /nfs/dbraw/zinc/27/32/65/632273265.db2.gz SSJZSOJYHUWEEV-RDTXWAMCSA-N 1 0 289.467 3.311 20 10 CGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H](C)C3CCC3)C2)cc1 ZINC000818345586 632312132 /nfs/dbraw/zinc/31/21/32/632312132.db2.gz WOZDNGCJZSNEKX-CABCVRRESA-N 1 0 288.435 3.300 20 10 CGCDRO Cc1ccc(CN2CC[C@@H]([NH2+]Cc3ccccc3O)C2)cc1 ZINC000865750319 632877656 /nfs/dbraw/zinc/87/76/56/632877656.db2.gz NOAMLEPEVJXHRK-GOSISDBHSA-N 1 0 296.414 3.065 20 10 CGCDRO CS[C@@H]1CC[C@H]1[NH2+][C@H](C)Cc1ccc(N(C)C)cc1C ZINC000822489911 632945669 /nfs/dbraw/zinc/94/56/69/632945669.db2.gz MLWLKGDZOWSRCR-KBRIMQKVSA-N 1 0 292.492 3.476 20 10 CGCDRO C[N@H+](CC[C@H]1CC1(Cl)Cl)Cc1ccccc1O ZINC000822740108 633013755 /nfs/dbraw/zinc/01/37/55/633013755.db2.gz MDOUZGBNPNXMHW-NSHDSACASA-N 1 0 274.191 3.408 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2C[C@@H](C)O[C@H]2C)c(O)c1 ZINC000866445687 633136279 /nfs/dbraw/zinc/13/62/79/633136279.db2.gz ARYIDTDKPFLRJT-ZOBORPQBSA-N 1 0 263.381 3.226 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CC(C)(C)CC[C@H]1O)c1cc(F)ccc1O ZINC000866452468 633142418 /nfs/dbraw/zinc/14/24/18/633142418.db2.gz HNTSTNIWVYHFKA-PSOPSSQASA-N 1 0 281.371 3.122 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H]2C[C@@H](C)CC[C@@H]2C)c1 ZINC000823871640 633162726 /nfs/dbraw/zinc/16/27/26/633162726.db2.gz KXEQZRUDHZLITJ-SLEUVZQESA-N 1 0 263.381 3.315 20 10 CGCDRO c1csc(SCCC[NH2+][C@@H]2CCOC3(CCC3)C2)n1 ZINC000823938119 633170319 /nfs/dbraw/zinc/17/03/19/633170319.db2.gz UALVOMZMQAXCMU-GFCCVEGCSA-N 1 0 298.477 3.317 20 10 CGCDRO C[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)c1ccnn1C ZINC000866614253 633214872 /nfs/dbraw/zinc/21/48/72/633214872.db2.gz LVWLVUQSYZHXJO-SCVCMEIPSA-N 1 0 289.354 3.164 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)c1ccnn1C ZINC000866616128 633215397 /nfs/dbraw/zinc/21/53/97/633215397.db2.gz YRUOERBEPAIKNP-VHSXEESVSA-N 1 0 279.771 3.191 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]CCCC1CCOCC1 ZINC000824477335 633249336 /nfs/dbraw/zinc/24/93/36/633249336.db2.gz QGZZRSZSKJOEBF-UHFFFAOYSA-N 1 0 283.799 3.342 20 10 CGCDRO F[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000824570691 633261052 /nfs/dbraw/zinc/26/10/52/633261052.db2.gz DSNCIOSBYMWMDE-HNNXBMFYSA-N 1 0 262.372 3.221 20 10 CGCDRO CO[C@@H](C[NH2+]Cc1cc(C)c(C)cc1O)Cc1ccccc1 ZINC000824589482 633262051 /nfs/dbraw/zinc/26/20/51/633262051.db2.gz FDWQSRHLPQZGFU-GOSISDBHSA-N 1 0 299.414 3.356 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]Cc2cc(C)cs2)c1 ZINC000824750919 633283298 /nfs/dbraw/zinc/28/32/98/633283298.db2.gz PRTPYXMSFOIQBH-UHFFFAOYSA-N 1 0 277.389 3.451 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](OC)[C@@H](C)C2)cc1 ZINC000824815471 633294784 /nfs/dbraw/zinc/29/47/84/633294784.db2.gz QBCITQLOAXXCAA-MAUKXSAKSA-N 1 0 290.451 3.390 20 10 CGCDRO C[C@@H]([NH2+]CC(C)(C)CO)c1ccc2ccccc2c1O ZINC000122003342 633296761 /nfs/dbraw/zinc/29/67/61/633296761.db2.gz QESXXUXHXTZGRB-GFCCVEGCSA-N 1 0 273.376 3.215 20 10 CGCDRO CCOc1cccc(C[N@H+](C)[C@H](CO)CC(C)(C)C)c1O ZINC000825039983 633320710 /nfs/dbraw/zinc/32/07/10/633320710.db2.gz FAKPDHHIXPKTSP-AWEZNQCLSA-N 1 0 295.423 3.020 20 10 CGCDRO Cc1nc(C[NH2+]Cc2cc(Cl)c(C)cc2O)cs1 ZINC000825089550 633327765 /nfs/dbraw/zinc/32/77/65/633327765.db2.gz DVRFFUBGYMSEAL-UHFFFAOYSA-N 1 0 282.796 3.409 20 10 CGCDRO CO[C@@H]1C[C@@H]([N@H+](C)Cc2cc(C)ccc2O)C12CCC2 ZINC000825104325 633328598 /nfs/dbraw/zinc/32/85/98/633328598.db2.gz UFEKXRXPXBIUDG-HZPDHXFCSA-N 1 0 275.392 3.090 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2cc(Cl)c(C)cc2O)cn1 ZINC000825119882 633330059 /nfs/dbraw/zinc/33/00/59/633330059.db2.gz HADHIZVPPFLVLM-UHFFFAOYSA-N 1 0 276.767 3.347 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCCCO2)cc1Cl ZINC000825142780 633331652 /nfs/dbraw/zinc/33/16/52/633331652.db2.gz BYSFIVUOPGOKHH-LBPRGKRZSA-N 1 0 269.772 3.013 20 10 CGCDRO Cc1cc(C)c(C[NH2+]Cc2cc(C)c(C)cc2O)cn1 ZINC000825221717 633336470 /nfs/dbraw/zinc/33/64/70/633336470.db2.gz WKUOTNJCOQJMOD-UHFFFAOYSA-N 1 0 270.376 3.311 20 10 CGCDRO COC[C@@H]1CCCC[N@@H+]1Cc1cc(C)c(C)cc1O ZINC000825293959 633342699 /nfs/dbraw/zinc/34/26/99/633342699.db2.gz FWBZGRYXGYNDIK-HNNXBMFYSA-N 1 0 263.381 3.010 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCOC2CCC2)cc1Cl ZINC000825319756 633344923 /nfs/dbraw/zinc/34/49/23/633344923.db2.gz BADUGCYRDXOHQD-UHFFFAOYSA-N 1 0 269.772 3.013 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCC[C@H]3OCC[C@H]32)cc1Cl ZINC000825338057 633346946 /nfs/dbraw/zinc/34/69/46/633346946.db2.gz RLSYRNGJYPBXLH-JGGQBBKZSA-N 1 0 295.810 3.401 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2CCCC[C@@H]2C[C@@H](C)O)cc1Cl ZINC000825731039 633378228 /nfs/dbraw/zinc/37/82/28/633378228.db2.gz CIZDJWWHHKTRLA-TZMCWYRMSA-N 1 0 297.826 3.479 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCOC[C@@H]2C)cc1Cl ZINC000825893193 633387036 /nfs/dbraw/zinc/38/70/36/633387036.db2.gz RTLPXJPVVXBOFH-NWDGAFQWSA-N 1 0 283.799 3.116 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)cc1Cl ZINC000826135262 633407657 /nfs/dbraw/zinc/40/76/57/633407657.db2.gz DQOXNIGNZUDPRT-PEGIJTEDSA-N 1 0 251.757 3.242 20 10 CGCDRO Cc1cc(O)c(C[N@H+](C)CC2=CCCOC2)c(Cl)c1 ZINC000827190792 633469025 /nfs/dbraw/zinc/46/90/25/633469025.db2.gz YUNIPOJPIQVTGM-UHFFFAOYSA-N 1 0 281.783 3.133 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCC(C)(C)F ZINC000827189125 633469604 /nfs/dbraw/zinc/46/96/04/633469604.db2.gz FYWAICWJNHXDLZ-UHFFFAOYSA-N 1 0 252.377 3.289 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@]2(C)CC2(F)F)cc1Cl ZINC000827251668 633474905 /nfs/dbraw/zinc/47/49/05/633474905.db2.gz KPHQTXFCZRGRJY-GFCCVEGCSA-N 1 0 275.726 3.489 20 10 CGCDRO CCc1cccc(C[N@@H+]2C[C@@H](C)O[C@@](C)(C(F)F)C2)c1O ZINC000827958148 633540812 /nfs/dbraw/zinc/54/08/12/633540812.db2.gz YYWWKRXFPICEEW-BDJLRTHQSA-N 1 0 299.361 3.199 20 10 CGCDRO COc1ccc(C[C@H](C)[NH2+]Cc2ccc(N(C)C)cc2)cc1 ZINC000123347236 633661976 /nfs/dbraw/zinc/66/19/76/633661976.db2.gz HGKXZNHBXFZUTB-HNNXBMFYSA-N 1 0 298.430 3.482 20 10 CGCDRO Cc1cc(C[N@@H+]2CCOC[C@@H]2C2CCC2)ccc1N(C)C ZINC000830213351 633839844 /nfs/dbraw/zinc/83/98/44/633839844.db2.gz CEHZYEQFKSNIHH-GOSISDBHSA-N 1 0 288.435 3.062 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCC2(CO)CCC2)c(O)c1 ZINC000846209966 636159321 /nfs/dbraw/zinc/15/93/21/636159321.db2.gz JJZJBCVLRSOPID-CQSZACIVSA-N 1 0 277.408 3.212 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@]3(CCOC3)C2)cc1 ZINC000832348917 634051569 /nfs/dbraw/zinc/05/15/69/634051569.db2.gz UDGBSULTDXHKLC-SFHVURJKSA-N 1 0 288.435 3.145 20 10 CGCDRO C[C@@](O)(C[NH2+]Cc1cc(Cl)ccc1O)c1ccsc1 ZINC000124138311 634166780 /nfs/dbraw/zinc/16/67/80/634166780.db2.gz YSYWTEHPKJXTEH-CQSZACIVSA-N 1 0 297.807 3.104 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@@H]1COc3ccccc3C1)CC2 ZINC000834533837 634177321 /nfs/dbraw/zinc/17/73/21/634177321.db2.gz AWPAQTAAVSYEGL-CJNGLKHVSA-N 1 0 295.382 3.220 20 10 CGCDRO C[C@@H](COc1ccccc1)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834542969 634178943 /nfs/dbraw/zinc/17/89/43/634178943.db2.gz BIMVSUACTVIFBR-BBRMVZONSA-N 1 0 283.371 3.437 20 10 CGCDRO CSc1cc(C[NH2+][C@H]2CCc3cccc(O)c32)ccn1 ZINC000834629698 634202246 /nfs/dbraw/zinc/20/22/46/634202246.db2.gz OAKPMFZFEFXVNM-ZDUSSCGKSA-N 1 0 286.400 3.286 20 10 CGCDRO CCCOc1ccc(C[NH2+]Cc2cccnc2)cc1C ZINC000873006679 634229897 /nfs/dbraw/zinc/22/98/97/634229897.db2.gz OSSBFKNJRSKSNC-UHFFFAOYSA-N 1 0 270.376 3.469 20 10 CGCDRO COc1ccc(C[NH2+]C[C@@H](C)C2CC2)cc1Cn1cccn1 ZINC000873021358 634231824 /nfs/dbraw/zinc/23/18/24/634231824.db2.gz APCVURHZBPAXNA-CQSZACIVSA-N 1 0 299.418 3.076 20 10 CGCDRO CCCOc1ccc(C[NH2+]C[C@H]2CCCOC2)cc1C ZINC000873021000 634231960 /nfs/dbraw/zinc/23/19/60/634231960.db2.gz DSIUYPMQTVOMFK-MRXNPFEDSA-N 1 0 277.408 3.300 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]CCC[C@H]1CCCCO1)CC2 ZINC000834766763 634238248 /nfs/dbraw/zinc/23/82/48/634238248.db2.gz YETUXPBHYHGIOD-HUUCEWRRSA-N 1 0 275.392 3.318 20 10 CGCDRO C[C@H]([NH2+][C@@H]1C[C@@H](C)n2ccnc21)c1ccc(N(C)C)cc1 ZINC000834769406 634239049 /nfs/dbraw/zinc/23/90/49/634239049.db2.gz MSYSNWLLABRYEX-DVOMOZLQSA-N 1 0 284.407 3.306 20 10 CGCDRO COc1cnccc1[C@H](C)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834779638 634241097 /nfs/dbraw/zinc/24/10/97/634241097.db2.gz PLMYLPOFVVIWBG-SMDDNHRTSA-N 1 0 284.359 3.134 20 10 CGCDRO OC[C@@H](C[NH2+][C@H]1CCc2cccc(O)c21)CC1CCCC1 ZINC000834790693 634243200 /nfs/dbraw/zinc/24/32/00/634243200.db2.gz UUZGWOYUYKBFPA-ZBFHGGJFSA-N 1 0 289.419 3.158 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCn3ccnc32)c1O ZINC000834832419 634251860 /nfs/dbraw/zinc/25/18/60/634251860.db2.gz OZBJGSUDKXSBMQ-GXFFZTMASA-N 1 0 291.782 3.346 20 10 CGCDRO CCC[C@H](C[NH2+][C@H](C)c1c(C)cc(C)cc1O)OC ZINC000834841341 634254722 /nfs/dbraw/zinc/25/47/22/634254722.db2.gz STTKUZDNYIBTPM-ZIAGYGMSSA-N 1 0 265.397 3.475 20 10 CGCDRO CCC[C@H](C[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F)OC ZINC000834840562 634254944 /nfs/dbraw/zinc/25/49/44/634254944.db2.gz KNRIFFAJSRFHTA-DMDPSCGWSA-N 1 0 281.371 3.484 20 10 CGCDRO COc1ccc(C[NH2+]CC2=CCCC2)cc1Cn1cccn1 ZINC000873139179 634257372 /nfs/dbraw/zinc/25/73/72/634257372.db2.gz XCIHEKMBILABHN-UHFFFAOYSA-N 1 0 297.402 3.140 20 10 CGCDRO CCCc1ncc(C[NH2+][C@@H](C)c2ccccc2O)o1 ZINC000834899638 634276604 /nfs/dbraw/zinc/27/66/04/634276604.db2.gz LFCSJIZVDGUFCQ-NSHDSACASA-N 1 0 260.337 3.184 20 10 CGCDRO CCc1ncc(C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)o1 ZINC000834900925 634277863 /nfs/dbraw/zinc/27/78/63/634277863.db2.gz UELZGFHUTOZZHQ-SKDRFNHKSA-N 1 0 290.338 3.420 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cc(C)ccc1O)[C@@H](O)c1ccccc1 ZINC000873194590 634279070 /nfs/dbraw/zinc/27/90/70/634279070.db2.gz UMQXQNKDRWKETF-AEFFLSMTSA-N 1 0 285.387 3.302 20 10 CGCDRO COCC1(C[NH2+][C@@H]2CCc3cccc(O)c32)CCCC1 ZINC000834906948 634283244 /nfs/dbraw/zinc/28/32/44/634283244.db2.gz UWMAFJZDLLIQRY-CQSZACIVSA-N 1 0 275.392 3.176 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1CC[C@@H](C)O1)c1cc2c(cc1O)CCCC2 ZINC000834914260 634286614 /nfs/dbraw/zinc/28/66/14/634286614.db2.gz BWGKHVZCJLIPHU-XJKCOSOUSA-N 1 0 289.419 3.489 20 10 CGCDRO C[N@H+](CCCCCC[NH3+])Cc1c([O-])ccc(Cl)c1F ZINC000873231423 634293176 /nfs/dbraw/zinc/29/31/76/634293176.db2.gz IJVOOBAYOYAYAF-UHFFFAOYSA-N 1 0 288.794 3.136 20 10 CGCDRO CCn1cc(C[N@H+](C)C/C=C/c2ccc(N(C)C)cc2)cn1 ZINC000835029849 634325497 /nfs/dbraw/zinc/32/54/97/634325497.db2.gz SZEDUNKTJPOYEB-VOTSOKGWSA-N 1 0 298.434 3.114 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+]CCCOCC2CC2)cc1 ZINC000835035205 634327454 /nfs/dbraw/zinc/32/74/54/634327454.db2.gz GWGPWFMBVQDPOY-HWKANZROSA-N 1 0 288.435 3.172 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+]CCCOCC2CC2)cc1 ZINC000835035206 634327597 /nfs/dbraw/zinc/32/75/97/634327597.db2.gz GWGPWFMBVQDPOY-HYXAFXHYSA-N 1 0 288.435 3.172 20 10 CGCDRO Cc1ncsc1C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835038563 634328342 /nfs/dbraw/zinc/32/83/42/634328342.db2.gz TZZHCJCMRURDKS-SNAWJCMRSA-N 1 0 287.432 3.321 20 10 CGCDRO COCCCCC[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835038115 634328507 /nfs/dbraw/zinc/32/85/07/634328507.db2.gz USKNDHIRABBCCG-FPLPWBNLSA-N 1 0 276.424 3.172 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+]CC2CCSCC2)cc1 ZINC000835040905 634329275 /nfs/dbraw/zinc/32/92/75/634329275.db2.gz VXUUJYGWPAIOHM-ARJAWSKDSA-N 1 0 290.476 3.499 20 10 CGCDRO CSCC[C@@H](C)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835039273 634329573 /nfs/dbraw/zinc/32/95/73/634329573.db2.gz COMQGHDXCAKZJF-VBROQKIQSA-N 1 0 278.465 3.497 20 10 CGCDRO CN(C)c1ccc(C=CC[NH2+][C@@H]2CCCc3cn[nH]c32)cc1 ZINC000835043109 634330427 /nfs/dbraw/zinc/33/04/27/634330427.db2.gz MVCBOZQIUOLJPF-VGOKWCNXSA-N 1 0 296.418 3.156 20 10 CGCDRO CO[C@H](C[NH2+]C/C=C\c1ccc(N(C)C)cc1)C(C)(C)C ZINC000835042067 634330569 /nfs/dbraw/zinc/33/05/69/634330569.db2.gz GOGMYNDWHXBKLS-ZPUOCTKUSA-N 1 0 290.451 3.417 20 10 CGCDRO CC[C@@H](CSC)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835042233 634330782 /nfs/dbraw/zinc/33/07/82/634330782.db2.gz FLNSETAJMGDMLS-XHPSBEMXSA-N 1 0 278.465 3.497 20 10 CGCDRO CO[C@@H](C[NH2+]C/C=C/c1ccc(N(C)C)cc1)C(C)(C)C ZINC000835042053 634330823 /nfs/dbraw/zinc/33/08/23/634330823.db2.gz GOGMYNDWHXBKLS-OZSKJFCKSA-N 1 0 290.451 3.417 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@@H]2CCC=CO2)cc1 ZINC000835044840 634331618 /nfs/dbraw/zinc/33/16/18/634331618.db2.gz GVLUOYYIXCRQEQ-OSJSJHBBSA-N 1 0 272.392 3.048 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@@H]2CCC(C)(C)O2)cc1 ZINC000835045910 634332291 /nfs/dbraw/zinc/33/22/91/634332291.db2.gz LMCZMWVETYWWQW-RTRPANQVSA-N 1 0 288.435 3.313 20 10 CGCDRO CO[C@@H]1C[N@H+](C/C=C\c2ccc(N(C)C)cc2)CC[C@@H]1C ZINC000835045143 634332783 /nfs/dbraw/zinc/33/27/83/634332783.db2.gz JQEQOYQVTNSJEI-RBVSRTDUSA-N 1 0 288.435 3.123 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@@H]2CCCSC2)cc1 ZINC000835054721 634339338 /nfs/dbraw/zinc/33/93/38/634339338.db2.gz XOCNVKGZPQWONQ-WMHVBEDNSA-N 1 0 290.476 3.499 20 10 CGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@](C)(O)CC2)cc1 ZINC000835055035 634339805 /nfs/dbraw/zinc/33/98/05/634339805.db2.gz VDQJXPCYMMNGHU-SUZKBHRPSA-N 1 0 288.435 3.003 20 10 CGCDRO COc1ccccc1C[N@H+](C)Cc1c(C)cccc1O ZINC000876533620 634851551 /nfs/dbraw/zinc/85/15/51/634851551.db2.gz UUVRDXYJVMSZTR-UHFFFAOYSA-N 1 0 271.360 3.341 20 10 CGCDRO COCC[N@H+](Cc1cccs1)Cc1c(C)cccc1O ZINC000876547009 634854721 /nfs/dbraw/zinc/85/47/21/634854721.db2.gz DJGNIMPGLOKQJX-UHFFFAOYSA-N 1 0 291.416 3.411 20 10 CGCDRO Cc1cccc(O)c1C[N@H+](C)Cc1ccc(Cl)nc1 ZINC000876560989 634857397 /nfs/dbraw/zinc/85/73/97/634857397.db2.gz ILVAFHIPKWZHGE-UHFFFAOYSA-N 1 0 276.767 3.381 20 10 CGCDRO CCCO[C@@H]1CCC[N@H+](Cc2c(C)cccc2O)CC1 ZINC000876719898 634885063 /nfs/dbraw/zinc/88/50/63/634885063.db2.gz AMDLSRVDDZJZMT-OAHLLOKOSA-N 1 0 277.408 3.482 20 10 CGCDRO COC1CCC([N@H+](C)Cc2c(C)cccc2O)CC1 ZINC000876738243 634887631 /nfs/dbraw/zinc/88/76/31/634887631.db2.gz YXWKQMFYKNZNDH-UHFFFAOYSA-N 1 0 263.381 3.090 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCCC3(CCOCC3)C2)c(O)c1 ZINC000876745241 634890595 /nfs/dbraw/zinc/89/05/95/634890595.db2.gz JCBZENXGBJGQBW-UHFFFAOYSA-N 1 0 275.392 3.093 20 10 CGCDRO Cc1ccc(C[NH2+][C@H](C)Cc2ccsc2)c(O)c1 ZINC000876958384 634937374 /nfs/dbraw/zinc/93/73/74/634937374.db2.gz BCWPWTLLFAXCIW-GFCCVEGCSA-N 1 0 261.390 3.483 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2ccc([C@H](C)O)cc2)c(O)c1 ZINC000876969284 634941496 /nfs/dbraw/zinc/94/14/96/634941496.db2.gz ZTXLYMCXKRTPSE-ZDUSSCGKSA-N 1 0 271.360 3.044 20 10 CGCDRO Cc1ccc(C[NH2+]CCOC2CCCCC2)c(O)c1 ZINC000876985555 634943405 /nfs/dbraw/zinc/94/34/05/634943405.db2.gz ROTUVAKGMAAUHV-UHFFFAOYSA-N 1 0 263.381 3.140 20 10 CGCDRO CN(C)c1ccc(CNCc2cc(C3CC3)no2)cc1F ZINC000876988733 634945669 /nfs/dbraw/zinc/94/56/69/634945669.db2.gz LBIRJTMTPPPHDH-UHFFFAOYSA-N 1 0 289.354 3.047 20 10 CGCDRO Cc1ccc(C[NH2+]C2(c3ccccc3)CC2)c(O)c1 ZINC000877009858 634949058 /nfs/dbraw/zinc/94/90/58/634949058.db2.gz CMSIVSMXDULWJP-UHFFFAOYSA-N 1 0 253.345 3.480 20 10 CGCDRO CS[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C)cc2O)C1 ZINC000877070570 634971882 /nfs/dbraw/zinc/97/18/82/634971882.db2.gz QJYUVGXXFUWUDS-CHWSQXEVSA-N 1 0 251.395 3.074 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c(O)c1 ZINC000877117588 634989633 /nfs/dbraw/zinc/98/96/33/634989633.db2.gz KHRXDCVDAHCBRP-OIISXLGYSA-N 1 0 287.403 3.138 20 10 CGCDRO Cc1cccc(O)c1C[NH2+][C@H](C)C[C@H](O)c1ccccc1 ZINC000877128026 634993744 /nfs/dbraw/zinc/99/37/44/634993744.db2.gz POKNAABLAHSTRY-KDOFPFPSSA-N 1 0 285.387 3.302 20 10 CGCDRO C[C@@H](CC[NH2+]Cc1ccc(F)c(F)c1[O-])[NH+]1CCCCC1 ZINC000877315478 635024595 /nfs/dbraw/zinc/02/45/95/635024595.db2.gz UQKJSSDRWNTLST-LBPRGKRZSA-N 1 0 298.377 3.025 20 10 CGCDRO Cc1cccc(O)c1C[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000877465100 635047239 /nfs/dbraw/zinc/04/72/39/635047239.db2.gz UFFFCKONIISIJK-QGZVFWFLSA-N 1 0 275.392 3.092 20 10 CGCDRO Cc1ccc(C[NH+]2CCC([C@@H]3CCCO3)CC2)c(O)c1 ZINC000877464259 635047696 /nfs/dbraw/zinc/04/76/96/635047696.db2.gz NTNALWNLARYPKD-KRWDZBQOSA-N 1 0 275.392 3.092 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)[C@](C)(OC)C2CC2)c1 ZINC000840858632 635066259 /nfs/dbraw/zinc/06/62/59/635066259.db2.gz FQHHEQPIJSOFTL-JKDFXYPNSA-N 1 0 293.407 3.255 20 10 CGCDRO COC1([C@@H](C)[NH2+][C@H](C)c2ccc(N(C)C)cc2)CCC1 ZINC000840884068 635073031 /nfs/dbraw/zinc/07/30/31/635073031.db2.gz INIORONPRRKMLX-ZIAGYGMSSA-N 1 0 276.424 3.361 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H]2c3ccccc3O[C@@H]2C)c(O)c1 ZINC000877536280 635077340 /nfs/dbraw/zinc/07/73/40/635077340.db2.gz MYGXRPVWBMMEGP-PXAZEXFGSA-N 1 0 269.344 3.312 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@H]1CCSC1 ZINC000840892545 635077382 /nfs/dbraw/zinc/07/73/82/635077382.db2.gz ASXTUEGTSAJSSE-HIFRSBDPSA-N 1 0 278.465 3.087 20 10 CGCDRO Cc1ccc(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)nn1 ZINC000840910144 635080044 /nfs/dbraw/zinc/08/00/44/635080044.db2.gz LEEIZAYKIIZAAO-UHFFFAOYSA-N 1 0 296.418 3.016 20 10 CGCDRO CC[N@@H+](Cc1c(O)cc(C)cc1Cl)C[C@H]1CCCO1 ZINC000840911584 635081297 /nfs/dbraw/zinc/08/12/97/635081297.db2.gz IOJABFITARABIY-GFCCVEGCSA-N 1 0 283.799 3.355 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c(Cl)c1 ZINC000840916226 635081725 /nfs/dbraw/zinc/08/17/25/635081725.db2.gz HXUGPPRGWJMQBT-CHWSQXEVSA-N 1 0 295.810 3.212 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)Cc1cccc(O)c1 ZINC000840932440 635084946 /nfs/dbraw/zinc/08/49/46/635084946.db2.gz QSXVBRMRQRMPEL-HNNXBMFYSA-N 1 0 298.430 3.487 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccccc1N(C)C ZINC000840937680 635086138 /nfs/dbraw/zinc/08/61/38/635086138.db2.gz WDYCVGCATCNKHO-UHFFFAOYSA-N 1 0 297.446 3.417 20 10 CGCDRO CCC[C@@]1(CO)CC[N@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000840946184 635089061 /nfs/dbraw/zinc/08/90/61/635089061.db2.gz HUZXNLHOOXYRCX-MRXNPFEDSA-N 1 0 297.826 3.339 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)[C@H](O)c1ccccc1 ZINC000840946720 635089484 /nfs/dbraw/zinc/08/94/84/635089484.db2.gz NHPRJZRAEHPCRI-BEFAXECRSA-N 1 0 298.430 3.273 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@H+](C)[C@H](CO)c1ccccc1 ZINC000840951135 635090363 /nfs/dbraw/zinc/09/03/63/635090363.db2.gz SQEOAANWKHEHAA-LJQANCHMSA-N 1 0 298.430 3.226 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000840952041 635090695 /nfs/dbraw/zinc/09/06/95/635090695.db2.gz IDESVDIWLZRXAZ-COXVUDFISA-N 1 0 258.409 3.339 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH+]1CC(CC(F)(F)F)C1 ZINC000840953472 635092083 /nfs/dbraw/zinc/09/20/83/635092083.db2.gz RZISAIONLDVYPP-UHFFFAOYSA-N 1 0 286.341 3.445 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CC[C@@H](C)O2)c(Cl)c1 ZINC000840953500 635092431 /nfs/dbraw/zinc/09/24/31/635092431.db2.gz TUKRISJEMZAQPL-GHMZBOCLSA-N 1 0 269.772 3.011 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+][C@@H]1CCCC[C@H]1F ZINC000840961792 635094274 /nfs/dbraw/zinc/09/42/74/635094274.db2.gz DUTDZCOGNHYQSA-VXGBXAGGSA-N 1 0 257.736 3.416 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCCC[C@H]2F)c1 ZINC000840963307 635095131 /nfs/dbraw/zinc/09/51/31/635095131.db2.gz QFMIWMIAHIYPSG-ZIAGYGMSSA-N 1 0 267.344 3.161 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2F)cc1F ZINC000840962100 635095252 /nfs/dbraw/zinc/09/52/52/635095252.db2.gz HZAMHNWOONZELQ-TZMCWYRMSA-N 1 0 268.351 3.262 20 10 CGCDRO COc1ccc(C[NH2+][C@H](C)[C@](C)(OC)C2CC2)cc1C ZINC000840962019 635095324 /nfs/dbraw/zinc/09/53/24/635095324.db2.gz ZXSARNAIXMXIBP-DYVFJYSZSA-N 1 0 277.408 3.297 20 10 CGCDRO COC1([C@@H](C)[NH2+]Cc2cc(Cl)ccc2O)CCC1 ZINC000840970304 635097021 /nfs/dbraw/zinc/09/70/21/635097021.db2.gz SZXLMTOADHZNFG-SNVBAGLBSA-N 1 0 269.772 3.093 20 10 CGCDRO Cc1ccc(C[N@@H+](Cc2cnn(C)c2)CC(C)C)c(O)c1 ZINC000877579150 635100127 /nfs/dbraw/zinc/10/01/27/635100127.db2.gz MQTLZLRUSAEJMM-UHFFFAOYSA-N 1 0 287.407 3.092 20 10 CGCDRO NC[C@@H]([NH2+]Cc1cc(Cl)ccc1O)C1CCCCC1 ZINC000841039433 635112210 /nfs/dbraw/zinc/11/22/10/635112210.db2.gz OQKQXWKNXWQIIY-CQSZACIVSA-N 1 0 282.815 3.043 20 10 CGCDRO CN(C)c1ccc([C@H](N)C[NH2+]C2CCCCCC2)cc1 ZINC000841044539 635113470 /nfs/dbraw/zinc/11/34/70/635113470.db2.gz CODXVXUMSDRGNA-QGZVFWFLSA-N 1 0 275.440 3.065 20 10 CGCDRO CC(C)CC[C@H](C)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000841045366 635114098 /nfs/dbraw/zinc/11/40/98/635114098.db2.gz KIIYQFPMQRWZDA-WMLDXEAASA-N 1 0 277.456 3.167 20 10 CGCDRO C[C@@H]1CC[C@H]([NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)C[C@H]1C ZINC000841045560 635114113 /nfs/dbraw/zinc/11/41/13/635114113.db2.gz MVHAHHOHQXSAAC-AHEZYBDSSA-N 1 0 289.467 3.167 20 10 CGCDRO COc1ccc(O)c(C[NH2+]Cc2ccc3c(c2)CCCN3)c1 ZINC000841069685 635116695 /nfs/dbraw/zinc/11/66/95/635116695.db2.gz CQHXKFLFSUHLNQ-UHFFFAOYSA-N 1 0 298.386 3.049 20 10 CGCDRO c1cc(N2CCCCC2)ccc1CN1CC[C@@]2(CCC[NH2+]2)C1 ZINC000841106380 635122366 /nfs/dbraw/zinc/12/23/66/635122366.db2.gz LLOKXYZXYTWPQJ-IBGZPJMESA-N 1 0 299.462 3.005 20 10 CGCDRO COc1ccc(F)c(CN2Cc3cccc(O)c3C2)c1 ZINC000877702606 635153948 /nfs/dbraw/zinc/15/39/48/635153948.db2.gz DIHXFQXISHQWOB-UHFFFAOYSA-N 1 0 273.307 3.056 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000877737328 635171422 /nfs/dbraw/zinc/17/14/22/635171422.db2.gz FMJCLIUINTUSIS-PWSUYJOCSA-N 1 0 283.824 3.231 20 10 CGCDRO CC[C@@H](C[C@H](C)O)[NH2+]Cc1ccc2ccccc2c1O ZINC000877778953 635201014 /nfs/dbraw/zinc/20/10/14/635201014.db2.gz WAOMDAXPGNOYHT-WFASDCNBSA-N 1 0 273.376 3.185 20 10 CGCDRO C[C@H]([NH2+]Cc1nccs1)c1ccc(Cl)cc1O ZINC000841745233 635222429 /nfs/dbraw/zinc/22/24/29/635222429.db2.gz OJMUJGXTQZPYCI-QMMMGPOBSA-N 1 0 268.769 3.353 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1ccn(C)n1)c1ccc(Cl)cc1O ZINC000841753230 635226730 /nfs/dbraw/zinc/22/67/30/635226730.db2.gz FHJQYYDRELSEAI-ZJUUUORDSA-N 1 0 279.771 3.191 20 10 CGCDRO CC(C)[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841757195 635231077 /nfs/dbraw/zinc/23/10/77/635231077.db2.gz BUZGFHGZCDUIOV-HZMBPMFUSA-N 1 0 271.788 3.103 20 10 CGCDRO C[C@H]([NH2+][C@H]1COCC1(C)C)c1ccc(Cl)cc1O ZINC000841757101 635231587 /nfs/dbraw/zinc/23/15/87/635231587.db2.gz MCRDKMJWMMGKSW-ZANVPECISA-N 1 0 269.772 3.121 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CCSC[C@H]1C1CCC1 ZINC000841894156 635249285 /nfs/dbraw/zinc/24/92/85/635249285.db2.gz SMQZIQDDFMOQIN-AWEZNQCLSA-N 1 0 263.406 3.110 20 10 CGCDRO CC[C@@H](C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1)OC ZINC000842148913 635295732 /nfs/dbraw/zinc/29/57/32/635295732.db2.gz IMWONGMPEJJYPG-KRWDZBQOSA-N 1 0 276.424 3.142 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)CCC3)CC2(CCC2)O1 ZINC000842644676 635425484 /nfs/dbraw/zinc/42/54/84/635425484.db2.gz SSGJQTTXWBUHLU-CYBMUJFWSA-N 1 0 287.403 3.024 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2C[C@H](C)OC3(CCC3)C2)cc1C ZINC000842644199 635425540 /nfs/dbraw/zinc/42/55/40/635425540.db2.gz RFBJITSPXSOQGR-AWEZNQCLSA-N 1 0 275.392 3.152 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H](C)CC(F)F)c1 ZINC000842727617 635451303 /nfs/dbraw/zinc/45/13/03/635451303.db2.gz NJAAISRVRYHFDX-JTQLQIEISA-N 1 0 273.323 3.172 20 10 CGCDRO Cc1cc(O)c(CN2CCCC[C@H]2[C@H]2CCC[NH2+]2)cc1C ZINC000843048160 635550320 /nfs/dbraw/zinc/55/03/20/635550320.db2.gz QJGYSSMCQMPQLG-SJORKVTESA-N 1 0 288.435 3.116 20 10 CGCDRO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(N)nc1 ZINC000843060123 635555391 /nfs/dbraw/zinc/55/53/91/635555391.db2.gz DQUGKTSVKRAOMT-UHFFFAOYSA-N 1 0 298.434 3.140 20 10 CGCDRO CN(C)c1ccc(/C=C/CN[C@@H]2CC[NH2+]C23CCCC3)cc1 ZINC000843129062 635563348 /nfs/dbraw/zinc/56/33/48/635563348.db2.gz QJHSULDSXIYMTE-DUMMIQTOSA-N 1 0 299.462 3.030 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)c1O ZINC000843416013 635662678 /nfs/dbraw/zinc/66/26/78/635662678.db2.gz FZHAFJWBEAWIGZ-JKSUJKDBSA-N 1 0 275.392 3.092 20 10 CGCDRO COc1ccccc1C1([NH2+]Cc2cc(F)ccc2O)CC1 ZINC000843421835 635665505 /nfs/dbraw/zinc/66/55/05/635665505.db2.gz IIMACVPYTOZGPQ-UHFFFAOYSA-N 1 0 287.334 3.319 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCOC[C@H]2C2CCC2)cc1C ZINC000843429271 635673203 /nfs/dbraw/zinc/67/32/03/635673203.db2.gz UOJOFIWHRWLCNT-INIZCTEOSA-N 1 0 275.392 3.010 20 10 CGCDRO CC(C)N(C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1O)C(C)C ZINC000879651597 635828230 /nfs/dbraw/zinc/82/82/30/635828230.db2.gz CPJNCIYHNNYOMB-UONOGXRCSA-N 1 0 292.423 3.077 20 10 CGCDRO Oc1ccccc1C[NH2+]CC[C@H]1CCc2ccccc2N1 ZINC000844905071 635981096 /nfs/dbraw/zinc/98/10/96/635981096.db2.gz UTGDXKQOJGECHL-MRXNPFEDSA-N 1 0 282.387 3.299 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CNc2ccccc2C1)c1ccccc1O ZINC000844920363 635984333 /nfs/dbraw/zinc/98/43/33/635984333.db2.gz LPLVBVOZUDYPBQ-JSGCOSHPSA-N 1 0 268.360 3.080 20 10 CGCDRO COC[C@H](CC(C)(C)C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000845928880 636119944 /nfs/dbraw/zinc/11/99/44/636119944.db2.gz GNKOHZZVCQISCH-HNNXBMFYSA-N 1 0 277.408 3.162 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC23CCCC3)c1 ZINC000845998937 636128351 /nfs/dbraw/zinc/12/83/51/636128351.db2.gz FIHXYKWRVPWBHM-UHFFFAOYSA-N 1 0 261.365 3.309 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C1(C2CCC2)CC1 ZINC000846054477 636139258 /nfs/dbraw/zinc/13/92/58/636139258.db2.gz BWYMZLUFJVPPTO-UHFFFAOYSA-N 1 0 258.409 3.483 20 10 CGCDRO CCOc1cccc(C[NH+]2CCC3(CC3(F)F)CC2)c1O ZINC000846054333 636139282 /nfs/dbraw/zinc/13/92/82/636139282.db2.gz LHZCMRKVXORIJF-UHFFFAOYSA-N 1 0 297.345 3.412 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)c2c(C)noc2C)c1O ZINC000846144362 636149139 /nfs/dbraw/zinc/14/91/39/636149139.db2.gz KNWJXLLMHBWPOO-ZJUUUORDSA-N 1 0 290.363 3.417 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]C[C@](C)(O)CCC(C)C)c1O ZINC000846145521 636149997 /nfs/dbraw/zinc/14/99/97/636149997.db2.gz OGSCTRSTFCOJSO-CXAGYDPISA-N 1 0 295.423 3.239 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]CCCc2ccccn2)c1O ZINC000846155840 636150346 /nfs/dbraw/zinc/15/03/46/636150346.db2.gz IEBWZBAIYGWRMR-ZDUSSCGKSA-N 1 0 286.375 3.079 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C2C[C@H](C)O[C@@H](C)C2)c1O ZINC000846157490 636150415 /nfs/dbraw/zinc/15/04/15/636150415.db2.gz COWSRRZDCIAFLW-SRVKXCTJSA-N 1 0 279.380 3.007 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]C[C@H]2CCC(F)(F)C2)c1O ZINC000846168712 636151859 /nfs/dbraw/zinc/15/18/59/636151859.db2.gz UGHBQAFYHIYVTM-MNOVXSKESA-N 1 0 285.334 3.487 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@H]2CCC[C@H]2C)c1O ZINC000846167108 636152066 /nfs/dbraw/zinc/15/20/66/636152066.db2.gz GMWGEOPHWDHSOJ-FRRDWIJNSA-N 1 0 263.381 3.488 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]C[C@H]2CCCC2(F)F)c1O ZINC000846168139 636152092 /nfs/dbraw/zinc/15/20/92/636152092.db2.gz HCWOEIRGNUUMSX-GHMZBOCLSA-N 1 0 285.334 3.487 20 10 CGCDRO COCC1(CC[NH2+][C@H](C)c2cccc(OC)c2O)CCC1 ZINC000846168580 636152305 /nfs/dbraw/zinc/15/23/05/636152305.db2.gz AXDCEMHDRXJPFC-CYBMUJFWSA-N 1 0 293.407 3.258 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]CCC2CC(F)(F)C2)c1O ZINC000846168105 636152355 /nfs/dbraw/zinc/15/23/55/636152355.db2.gz GVZOUIRPZKYTNJ-SNVBAGLBSA-N 1 0 285.334 3.487 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]Cc2occc2C)c1O ZINC000846171555 636153121 /nfs/dbraw/zinc/15/31/21/636153121.db2.gz UMNTZRIPHBLWHG-LLVKDONJSA-N 1 0 261.321 3.153 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@H]2COc3ccccc32)c1O ZINC000846169540 636153177 /nfs/dbraw/zinc/15/31/77/636153177.db2.gz DYTLNUIYNNLBKD-STQMWFEESA-N 1 0 299.370 3.228 20 10 CGCDRO C[C@H](COCC1CC1)[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000846203129 636157541 /nfs/dbraw/zinc/15/75/41/636157541.db2.gz FFWMTHPEMCYHQS-JTNHKYCSSA-N 1 0 293.382 3.484 20 10 CGCDRO C[C@@H]([NH2+]CC1(Br)CC1)c1ccc(N(C)C)cc1 ZINC000846860647 636263098 /nfs/dbraw/zinc/26/30/98/636263098.db2.gz LATKUQYCIVGNFX-LLVKDONJSA-N 1 0 297.240 3.331 20 10 CGCDRO Cc1cc(C[N@@H+]2CC[C@@H](c3ccncc3)C2)ccc1N(C)C ZINC000846911518 636279715 /nfs/dbraw/zinc/27/97/15/636279715.db2.gz RXARJESNUKWWLE-GOSISDBHSA-N 1 0 295.430 3.446 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)C1CCC1 ZINC000130072945 636414288 /nfs/dbraw/zinc/41/42/88/636414288.db2.gz NIPIGKIKFQVESL-CYBMUJFWSA-N 1 0 258.409 3.347 20 10 CGCDRO CSc1ccc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)o1 ZINC000882943105 636469938 /nfs/dbraw/zinc/46/99/38/636469938.db2.gz DWARCVRRIYTRFC-UHFFFAOYSA-N 1 0 294.395 3.496 20 10 CGCDRO CCC[C@H]1CCCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000213669703 636481624 /nfs/dbraw/zinc/48/16/24/636481624.db2.gz OFIKTRJCSBREEC-ZDUSSCGKSA-N 1 0 277.364 3.276 20 10 CGCDRO C[N@@H+]1Cc2ccc(NCc3cc(F)cc(F)c3O)cc2C1 ZINC000883056474 636523029 /nfs/dbraw/zinc/52/30/29/636523029.db2.gz MPAQMSPLOXEJMU-UHFFFAOYSA-N 1 0 290.313 3.228 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cn2ccccc2n1 ZINC000848524346 636588249 /nfs/dbraw/zinc/58/82/49/636588249.db2.gz DQZFPYKRNVZTTD-ZDUSSCGKSA-N 1 0 293.370 3.120 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H](C2CC2)[C@H]2CCCCO2)cc1C ZINC000848560327 636605812 /nfs/dbraw/zinc/60/58/12/636605812.db2.gz LHSRQURKHIGRGM-QZTJIDSGSA-N 1 0 289.419 3.446 20 10 CGCDRO C[C@@H]([NH2+][C@H]1c2ccccc2C[C@@H]1O)c1ccc(N(C)C)cc1 ZINC000848564685 636608725 /nfs/dbraw/zinc/60/87/25/636608725.db2.gz BMCHVTFAQBPGQF-VMDGZTHMSA-N 1 0 296.414 3.062 20 10 CGCDRO COC[C@@H](CC(C)(C)C)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000848565718 636608822 /nfs/dbraw/zinc/60/88/22/636608822.db2.gz ZVKKQWVXYWSCMH-KGLIPLIRSA-N 1 0 277.408 3.420 20 10 CGCDRO C[C@H](Cc1ccccn1)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000848567040 636609195 /nfs/dbraw/zinc/60/91/95/636609195.db2.gz PAIKZWSGNLZHGI-MRXNPFEDSA-N 1 0 295.430 3.403 20 10 CGCDRO CC(C)(C)O[C@H]1C[C@H]([NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000848566464 636609268 /nfs/dbraw/zinc/60/92/68/636609268.db2.gz YLUIKMLITPSZIF-IHRRRGAJSA-N 1 0 275.392 3.315 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCN3CCCC[C@H]23)c1 ZINC000848568353 636610308 /nfs/dbraw/zinc/61/03/08/636610308.db2.gz GJMGPBPJXOVXIR-USXIJHARSA-N 1 0 288.435 3.368 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](COC)CC(C)(C)C)c1 ZINC000848567447 636610484 /nfs/dbraw/zinc/61/04/84/636610484.db2.gz VFDRFDASRCPTBE-CQSZACIVSA-N 1 0 295.423 3.332 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCN3CCCC[C@@H]23)c(O)c1 ZINC000848568406 636610573 /nfs/dbraw/zinc/61/05/73/636610573.db2.gz HTMNOXHKQUKBST-XIRDDKMYSA-N 1 0 288.435 3.368 20 10 CGCDRO CC[C@@H]([NH2+]CCc1ccns1)c1ccc(N(C)C)cc1 ZINC000883248437 636618338 /nfs/dbraw/zinc/61/83/38/636618338.db2.gz SQHOKSOHYLXFEP-MRXNPFEDSA-N 1 0 289.448 3.493 20 10 CGCDRO CCc1cccc(C[NH+]2CCC(c3cn[nH]c3)CC2)c1O ZINC000848884173 636673116 /nfs/dbraw/zinc/67/31/16/636673116.db2.gz ZIOWRKAGSINPGN-UHFFFAOYSA-N 1 0 285.391 3.057 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCS[C@@H](C)[C@@H]2C)c1O ZINC000848887298 636674349 /nfs/dbraw/zinc/67/43/49/636674349.db2.gz SFWKBQDLQJZGLK-RYUDHWBXSA-N 1 0 265.422 3.280 20 10 CGCDRO CCc1cccc(C[N@@H+]2CC[C@H](C3CCOCC3)C2)c1O ZINC000848889428 636676675 /nfs/dbraw/zinc/67/66/75/636676675.db2.gz KRARLEKAHDGCDD-INIZCTEOSA-N 1 0 289.419 3.203 20 10 CGCDRO CCc1cccc(C[NH2+]CCCOC2CCCC2)c1O ZINC000848894885 636678632 /nfs/dbraw/zinc/67/86/32/636678632.db2.gz NEMRRRCHTRWKRZ-UHFFFAOYSA-N 1 0 277.408 3.394 20 10 CGCDRO CCc1cccc(C[NH2+]CCC(=O)Nc2ccccc2)c1O ZINC000848895900 636679660 /nfs/dbraw/zinc/67/96/60/636679660.db2.gz RGNPEEJEWUYQRT-UHFFFAOYSA-N 1 0 298.386 3.073 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCS[C@H](C)CC2)c1O ZINC000848904721 636684349 /nfs/dbraw/zinc/68/43/49/636684349.db2.gz AQRNXVPXPGWCCT-GFCCVEGCSA-N 1 0 265.422 3.282 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCC[C@](C)(OC)CC2)c1O ZINC000848907909 636685429 /nfs/dbraw/zinc/68/54/29/636685429.db2.gz KUCIVORDULEVMG-KRWDZBQOSA-N 1 0 277.408 3.346 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H](CCO)Cc2ccccc2)c1O ZINC000848909483 636686481 /nfs/dbraw/zinc/68/64/81/636686481.db2.gz VABAKVVXBPEHPV-SFHVURJKSA-N 1 0 299.414 3.038 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCC[C@]2(C)CCCO)c1O ZINC000848912164 636687884 /nfs/dbraw/zinc/68/78/84/636687884.db2.gz NKGVBHZTIWLFRK-QGZVFWFLSA-N 1 0 277.408 3.082 20 10 CGCDRO CCc1cccc(C[NH2+][C@H]2CCO[C@@H](CC)C2)c1O ZINC000848917449 636689964 /nfs/dbraw/zinc/68/99/64/636689964.db2.gz GIUNVZZRDWDTOV-GJZGRUSLSA-N 1 0 263.381 3.002 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H](C2CC2)C2CCOCC2)c1O ZINC000848919921 636690892 /nfs/dbraw/zinc/69/08/92/636690892.db2.gz VUHRTOYHHGMGKM-KRWDZBQOSA-N 1 0 289.419 3.249 20 10 CGCDRO CCN1CC[C@@H]1C[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000883355560 636697051 /nfs/dbraw/zinc/69/70/51/636697051.db2.gz UHGZZWUZMPNAHX-DZGCQCFKSA-N 1 0 284.403 3.290 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H](OC3CCC3)C2)c1 ZINC000848924826 636697567 /nfs/dbraw/zinc/69/75/67/636697567.db2.gz CFLSVKVSNRFIHF-INIZCTEOSA-N 1 0 275.392 3.234 20 10 CGCDRO CCC(C)(C)[NH+]1CCN(Cc2cccc(C)c2O)CC1 ZINC000848924956 636697583 /nfs/dbraw/zinc/69/75/83/636697583.db2.gz IRCSCZJKXZAQEP-UHFFFAOYSA-N 1 0 276.424 3.007 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+][C@@H](C)Cc2ccccn2)c1O ZINC000848926323 636699077 /nfs/dbraw/zinc/69/90/77/636699077.db2.gz OYASLKXZTYRVJC-LBPRGKRZSA-N 1 0 290.794 3.470 20 10 CGCDRO CC(C)Oc1ccc(NC(=[NH2+])NCc2ccccc2O)cc1 ZINC000849058426 636734778 /nfs/dbraw/zinc/73/47/78/636734778.db2.gz CPFFDWYXVIRFMN-UHFFFAOYSA-N 1 0 299.374 3.316 20 10 CGCDRO CCc1cccc(NC(=[NH2+])NCc2ccc(OC)cc2O)c1 ZINC000849095437 636744171 /nfs/dbraw/zinc/74/41/71/636744171.db2.gz XSBRFFSLRXCESQ-UHFFFAOYSA-N 1 0 299.374 3.100 20 10 CGCDRO Clc1cnc(SCC[NH+]2CCCCC2)s1 ZINC000849998434 636924046 /nfs/dbraw/zinc/92/40/46/636924046.db2.gz OYYLIGYVBQJPJZ-UHFFFAOYSA-N 1 0 262.831 3.375 20 10 CGCDRO COc1cc(C[NH2+]C(C)C)c(O)c(C(C)(C)C)c1 ZINC000850008731 636927287 /nfs/dbraw/zinc/92/72/87/636927287.db2.gz YCGRHGYCTCPKHZ-UHFFFAOYSA-N 1 0 251.370 3.196 20 10 CGCDRO COc1ccc(O)c(C[N@H+](C)CC2CCCCC2)c1 ZINC000133570110 636941881 /nfs/dbraw/zinc/94/18/81/636941881.db2.gz YSURKDOMUNJAOC-UHFFFAOYSA-N 1 0 263.381 3.413 20 10 CGCDRO CCOc1ccc(C[NH2+]CC[C@H](C)CC)c(O)c1 ZINC000850355681 637024820 /nfs/dbraw/zinc/02/48/20/637024820.db2.gz LUGXPNXFMWMZNX-GFCCVEGCSA-N 1 0 251.370 3.317 20 10 CGCDRO CCOc1ccc(C[NH2+][C@@H]2C[C@H](O)c3ccccc32)c(O)c1 ZINC000850371264 637033878 /nfs/dbraw/zinc/03/38/78/637033878.db2.gz ICQZKGLTHUIDSO-AEFFLSMTSA-N 1 0 299.370 3.059 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@](C)(CC)C2CC2)c1 ZINC000850384405 637041388 /nfs/dbraw/zinc/04/13/88/637041388.db2.gz VMXNJKWQBQKHJY-MRXNPFEDSA-N 1 0 263.381 3.459 20 10 CGCDRO CCC[C@@H](C)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850405739 637050545 /nfs/dbraw/zinc/05/05/45/637050545.db2.gz BNDORNKFYKVHHS-OAHLLOKOSA-N 1 0 290.451 3.174 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)C(C)(C)C(F)F ZINC000850430031 637058808 /nfs/dbraw/zinc/05/88/08/637058808.db2.gz LJNQORXIHKKPHW-SNVBAGLBSA-N 1 0 269.335 3.391 20 10 CGCDRO CCOC1CCC([NH2+]Cc2ccc(N(C)C)cc2C)CC1 ZINC000850436002 637061844 /nfs/dbraw/zinc/06/18/44/637061844.db2.gz QPEVSUOTNMZERI-UHFFFAOYSA-N 1 0 290.451 3.498 20 10 CGCDRO CC[C@@H]1CC[C@H]1[NH2+][C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850486560 637086387 /nfs/dbraw/zinc/08/63/87/637086387.db2.gz JKZJHMFWICKZCQ-JKIFEVAISA-N 1 0 274.408 3.052 20 10 CGCDRO CCC[C@H](C)[NH2+][C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850487886 637088122 /nfs/dbraw/zinc/08/81/22/637088122.db2.gz JXJDFDNHXOLJJR-KBPBESRZSA-N 1 0 262.397 3.052 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+][C@H](C)CC3CCC3)C2)cc1 ZINC000850489102 637088538 /nfs/dbraw/zinc/08/85/38/637088538.db2.gz QTOIBTXHQHDGFO-ZBFHGGJFSA-N 1 0 288.435 3.442 20 10 CGCDRO CC[C@@H]([NH2+][C@H]1CCN(c2ccc(OC)cc2)C1)C1CC1 ZINC000850489569 637088604 /nfs/dbraw/zinc/08/86/04/637088604.db2.gz VGLBVBZRIULTJI-WMLDXEAASA-N 1 0 274.408 3.052 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)CC3CCC3)C2)cc1 ZINC000850489101 637088729 /nfs/dbraw/zinc/08/87/29/637088729.db2.gz QTOIBTXHQHDGFO-HOCLYGCPSA-N 1 0 288.435 3.442 20 10 CGCDRO C[C@H]([NH2+]Cc1cccnc1N1CCCC1)c1ccccc1O ZINC000850502620 637093091 /nfs/dbraw/zinc/09/30/91/637093091.db2.gz XYPUSFQFZKEQHY-AWEZNQCLSA-N 1 0 297.402 3.238 20 10 CGCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2O)C12CCCC2 ZINC000135237935 637097811 /nfs/dbraw/zinc/09/78/11/637097811.db2.gz SURKRBXTLWYKGY-HZPDHXFCSA-N 1 0 275.392 3.220 20 10 CGCDRO CC[C@@H]([NH2+][C@H](C)C1(CO)CC1)c1cc(Cl)ccc1O ZINC000850515642 637099122 /nfs/dbraw/zinc/09/91/22/637099122.db2.gz MRNJDPZWCRRPFY-ZWNOBZJWSA-N 1 0 283.799 3.247 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)C2(CO)CC2)c1O ZINC000850515228 637099407 /nfs/dbraw/zinc/09/94/07/637099407.db2.gz JMMMPMGUCKWWOC-QWRGUYRKSA-N 1 0 283.799 3.166 20 10 CGCDRO C[C@H]([NH2+][C@@H]1COc2cc(F)ccc2C1)c1ccccc1O ZINC000850536315 637112638 /nfs/dbraw/zinc/11/26/38/637112638.db2.gz FIBMPJNNMDVCRC-FZMZJTMJSA-N 1 0 287.334 3.186 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]C[C@H](CO)CC2CC2)c2c1c(F)ccc2O ZINC000850545726 637116804 /nfs/dbraw/zinc/11/68/04/637116804.db2.gz RRPQDKCRYCOGKJ-MPKXVKKWSA-N 1 0 293.382 3.078 20 10 CGCDRO CCC[C@@H](CC)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850568136 637126766 /nfs/dbraw/zinc/12/67/66/637126766.db2.gz QBUZUQXJNIJVAT-MRXNPFEDSA-N 1 0 290.451 3.316 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCc2ccco2)c1 ZINC000850570235 637127652 /nfs/dbraw/zinc/12/76/52/637127652.db2.gz ROXZRZIXKMCDLY-GFCCVEGCSA-N 1 0 275.348 3.277 20 10 CGCDRO C[C@H](c1ccccc1)[C@@H](O)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000850573934 637129997 /nfs/dbraw/zinc/12/99/97/637129997.db2.gz TVFAAZGIMBCHAY-SKDZVZGDSA-N 1 0 297.398 3.134 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H](C)c2ccc3c(c2)OCO3)c1 ZINC000109415259 637134237 /nfs/dbraw/zinc/13/42/37/637134237.db2.gz SKYUWFDCJXWFPT-GFCCVEGCSA-N 1 0 285.343 3.280 20 10 CGCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@H](C)C[C@H]2C)c1O ZINC000135821894 637188437 /nfs/dbraw/zinc/18/84/37/637188437.db2.gz LOLLSWCHSACFCW-NXEZZACHSA-N 1 0 281.783 3.479 20 10 CGCDRO Cc1ccccc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1O ZINC000109768860 637266041 /nfs/dbraw/zinc/26/60/41/637266041.db2.gz WSPQGGACMJJTSG-CQSZACIVSA-N 1 0 298.386 3.160 20 10 CGCDRO CO[C@H]1CCC[C@H]([NH2+]Cc2ccc(N(C)C)cc2C)CC1 ZINC000885989259 637343784 /nfs/dbraw/zinc/34/37/84/637343784.db2.gz ZOMKLPGUHCMLOY-WMZOPIPTSA-N 1 0 290.451 3.498 20 10 CGCDRO C[N@H+](CCOC(F)F)Cc1ccc(N2CCCCC2)cc1 ZINC000851716194 637472176 /nfs/dbraw/zinc/47/21/76/637472176.db2.gz KPRWIINNQGYMCE-UHFFFAOYSA-N 1 0 298.377 3.348 20 10 CGCDRO c1csc(SCCC[NH2+][C@H]2CCc3cccnc32)n1 ZINC000886528220 637555232 /nfs/dbraw/zinc/55/52/32/637555232.db2.gz ISBATEZSGSVSRS-LBPRGKRZSA-N 1 0 291.445 3.297 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2C[C@@H]2[C@@H]2C[C@H]2C)c1O ZINC000886694381 637659838 /nfs/dbraw/zinc/65/98/38/637659838.db2.gz UUDWYGLXUKXNSG-NUNXZZDCSA-N 1 0 275.392 3.344 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]C[C@H]2CC3(CCC3)CO2)c1O ZINC000886702814 637664023 /nfs/dbraw/zinc/66/40/23/637664023.db2.gz DHSYRSSQXWJZHM-CHWSQXEVSA-N 1 0 291.391 3.011 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@H]([C@H]3CCCO3)C2)cc1 ZINC000886818907 637706653 /nfs/dbraw/zinc/70/66/53/637706653.db2.gz LOWQOXSNNZNVHJ-SJLPKXTDSA-N 1 0 288.435 3.144 20 10 CGCDRO CCN(C(=O)C=C1CC[NH2+]CC1)c1cccc(Cl)c1 ZINC000852814448 637716087 /nfs/dbraw/zinc/71/60/87/637716087.db2.gz MDJUZCJZCYOTNC-UHFFFAOYSA-N 1 0 278.783 3.003 20 10 CGCDRO CO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(N(C)C)cc2)C1(C)C ZINC000300411290 637837072 /nfs/dbraw/zinc/83/70/72/637837072.db2.gz MMHIEBHANHRFOF-DAXOMENPSA-N 1 0 276.424 3.217 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2cccc(N)c2)c1 ZINC000854217030 638025006 /nfs/dbraw/zinc/02/50/06/638025006.db2.gz HMOQNPUSIPPLAL-LBPRGKRZSA-N 1 0 256.349 3.134 20 10 CGCDRO Cc1noc(C)c1[C@@H](C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000113957478 638306599 /nfs/dbraw/zinc/30/65/99/638306599.db2.gz YHOPEAFTRGVGDD-SNVBAGLBSA-N 1 0 291.370 3.347 20 10 CGCDRO Cc1cc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)c(C)o1 ZINC000114504887 638374437 /nfs/dbraw/zinc/37/44/37/638374437.db2.gz PVCKXSZRTNOAPP-UHFFFAOYSA-N 1 0 276.355 3.391 20 10 CGCDRO CN(Cc1noc(-c2ccccc2)n1)Cc1ccccc1O ZINC000114721373 638418494 /nfs/dbraw/zinc/41/84/94/638418494.db2.gz ZEKKDXPEQKZTOM-UHFFFAOYSA-N 1 0 295.342 3.074 20 10 CGCDRO CN(C)c1cc(F)c(C[NH2+]C2CCCC2)cc1F ZINC000858086911 638623482 /nfs/dbraw/zinc/62/34/82/638623482.db2.gz POJUSBDGULXFBR-UHFFFAOYSA-N 1 0 254.324 3.063 20 10 CGCDRO COC[C@@H](C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-])C(C)C ZINC000927097307 638841527 /nfs/dbraw/zinc/84/15/27/638841527.db2.gz UFBMXAYOTWFFKS-GHMZBOCLSA-N 1 0 287.350 3.240 20 10 CGCDRO CCc1onc(C)c1C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000927141230 638847023 /nfs/dbraw/zinc/84/70/23/638847023.db2.gz VYSZMHMCUWOYGL-JTQLQIEISA-N 1 0 290.363 3.110 20 10 CGCDRO C[C@@H]([NH2+][C@H]1c2ccccc2CC[C@H]1O)c1ccccc1O ZINC000927141629 638847241 /nfs/dbraw/zinc/84/72/41/638847241.db2.gz YGZZFJRVXNCBFE-PJSAGSTRSA-N 1 0 283.371 3.091 20 10 CGCDRO CCc1onc(C)c1C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000929225331 638910614 /nfs/dbraw/zinc/91/06/14/638910614.db2.gz KJBQWMOCAKSUQC-UHFFFAOYSA-N 1 0 287.407 3.243 20 10 CGCDRO CCC[N@H+](C/C=C(\C)COC)Cc1ccccc1O ZINC000929753116 638947029 /nfs/dbraw/zinc/94/70/29/638947029.db2.gz LJAAXATVDXCLAM-NTEUORMPSA-N 1 0 263.381 3.197 20 10 CGCDRO COc1ccc2c(c1)C[C@@H](C[NH2+][C@H](C)c1ccccc1O)O2 ZINC000931554896 639169865 /nfs/dbraw/zinc/16/98/65/639169865.db2.gz SXRXLBWTZPYUKH-DOMZBBRYSA-N 1 0 299.370 3.055 20 10 CGCDRO Cc1cc(O)c(C[N@H+](C)CCc2ccccn2)cc1C ZINC000193229197 640442368 /nfs/dbraw/zinc/44/23/68/640442368.db2.gz DREDCVMJBPPCNG-UHFFFAOYSA-N 1 0 270.376 3.079 20 10 CGCDRO CC[C@H](C)C[C@@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000088292493 640616305 /nfs/dbraw/zinc/61/63/05/640616305.db2.gz HAZYOUNXEHUUDQ-WDEREUQCSA-N 1 0 265.353 3.035 20 10 CGCDRO CC[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000088296478 640616392 /nfs/dbraw/zinc/61/63/92/640616392.db2.gz PMEUNMMHCGRJON-HZPDHXFCSA-N 1 0 290.451 3.438 20 10 CGCDRO C[C@@H]([NH2+]CCC1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000090118923 640669760 /nfs/dbraw/zinc/66/97/60/640669760.db2.gz LMXPTWDURVYMID-CYBMUJFWSA-N 1 0 292.398 3.113 20 10 CGCDRO CS[C@H](C)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000090725683 640691323 /nfs/dbraw/zinc/69/13/23/640691323.db2.gz QDBQWDGGTULZSY-NEPJUHHUSA-N 1 0 252.427 3.155 20 10 CGCDRO Cc1noc(C)c1C[N@@H+](C)Cc1cc(Cl)ccc1O ZINC000091812647 640723091 /nfs/dbraw/zinc/72/30/91/640723091.db2.gz DFIKNFXAFCPPDG-UHFFFAOYSA-N 1 0 280.755 3.282 20 10 CGCDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1cc(Cl)ccc1O ZINC000091892542 640725484 /nfs/dbraw/zinc/72/54/84/640725484.db2.gz GAACKKGKZMZVFF-CABCVRRESA-N 1 0 294.826 3.104 20 10 CGCDRO CCOc1ccc(O)c(C[N@H+](C)[C@@H](C)C2(C)CC2)c1 ZINC000091900868 640726386 /nfs/dbraw/zinc/72/63/86/640726386.db2.gz BRAKLQVFCYMTDS-LBPRGKRZSA-N 1 0 263.381 3.411 20 10 CGCDRO Cc1ccc(O)c(C[NH+]2C[C@H](C)S[C@@H](C)C2)c1 ZINC000092541140 640739604 /nfs/dbraw/zinc/73/96/04/640739604.db2.gz TZQHUZPFQAGXQX-RYUDHWBXSA-N 1 0 251.395 3.026 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)c1cc(F)ccc1O)[C@@H]1CCCO1 ZINC000248530452 640767036 /nfs/dbraw/zinc/76/70/36/640767036.db2.gz XINGYLNQCASROP-DGFSRKRXSA-N 1 0 267.344 3.140 20 10 CGCDRO CC[C@H](CCO)[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000305117005 640882943 /nfs/dbraw/zinc/88/29/43/640882943.db2.gz IHXXJKCPJBCWBA-DOTOQJQBSA-N 1 0 290.451 3.489 20 10 CGCDRO C[C@@](O)(C[NH2+]Cc1c(O)cccc1Cl)c1ccccc1 ZINC000114508365 641000284 /nfs/dbraw/zinc/00/02/84/641000284.db2.gz WWFQEZPQAMWRDZ-MRXNPFEDSA-N 1 0 291.778 3.043 20 10 CGCDRO CC[C@H]([NH2+]CCc1cccc(C)n1)c1ccccc1O ZINC000280007261 641035058 /nfs/dbraw/zinc/03/50/58/641035058.db2.gz GKFWXXCFPGKYCQ-INIZCTEOSA-N 1 0 270.376 3.379 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)c1ccc(C)cc1O ZINC000280298060 641036029 /nfs/dbraw/zinc/03/60/29/641036029.db2.gz ZSMQUQRRVWNRQN-MEWXFMAXSA-N 1 0 261.365 3.061 20 10 CGCDRO Oc1cccc2c1C[N@@H+](C1CCC(F)(F)CC1)CC2 ZINC001254225557 806373545 /nfs/dbraw/zinc/37/35/45/806373545.db2.gz XVMYYLHRBHTAMV-UHFFFAOYSA-N 1 0 267.319 3.328 20 10 CGCDRO Oc1cc2ccccc2cc1C[NH2+][C@H]1CCSC1 ZINC001255275869 806591210 /nfs/dbraw/zinc/59/12/10/806591210.db2.gz CLQRTMJMTCMULG-AWEZNQCLSA-N 1 0 259.374 3.141 20 10 CGCDRO C[C@@H]1CCC[C@@H]([N@H+](C)Cc2cc3c(cc2O)OCO3)C1 ZINC000025484188 798839778 /nfs/dbraw/zinc/83/97/78/798839778.db2.gz NMSKSZNXZGPKBV-DGCLKSJQSA-N 1 0 277.364 3.131 20 10 CGCDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000037253867 798863515 /nfs/dbraw/zinc/86/35/15/798863515.db2.gz NUOMJCOSSINCEP-NVXWUHKLSA-N 1 0 288.435 3.192 20 10 CGCDRO COc1ccc(C[NH2+]C[C@H]2Cc3ccccc3O2)cc1C ZINC000037986391 798882070 /nfs/dbraw/zinc/88/20/70/798882070.db2.gz MQKMQTJFWHCXQB-MRXNPFEDSA-N 1 0 283.371 3.097 20 10 CGCDRO Fc1ccc(CC[NH2+]Cc2ccc3c(c2)CCO3)c(F)c1 ZINC000069877868 798914573 /nfs/dbraw/zinc/91/45/73/798914573.db2.gz TXFHOIMSUVHZFY-UHFFFAOYSA-N 1 0 289.325 3.232 20 10 CGCDRO CC1(C)CCC(O)(C[NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000315404949 799236240 /nfs/dbraw/zinc/23/62/40/799236240.db2.gz HCRYXAWGCGETRK-AWEZNQCLSA-N 1 0 289.419 3.300 20 10 CGCDRO C[C@H](CC(F)(F)F)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000386280937 799434456 /nfs/dbraw/zinc/43/44/56/799434456.db2.gz ZQFBGBPSHUMLSS-SCZZXKLOSA-N 1 0 259.271 3.310 20 10 CGCDRO C[C@H](CC(F)(F)F)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000386280936 799434636 /nfs/dbraw/zinc/43/46/36/799434636.db2.gz ZQFBGBPSHUMLSS-PSASIEDQSA-N 1 0 259.271 3.310 20 10 CGCDRO CC[C@@H]1C[C@H]1C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000387942004 799449474 /nfs/dbraw/zinc/44/94/74/799449474.db2.gz AQHSQXADGKGOEQ-CVEARBPZSA-N 1 0 258.409 3.423 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)[C@H](OC)C1CC1)c1ccccc1O ZINC000388291507 799451261 /nfs/dbraw/zinc/45/12/61/799451261.db2.gz WNNCFEGZYWFJBM-WPGHFRTFSA-N 1 0 263.381 3.246 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CC[C@@H](C)OC)cc1 ZINC000389284330 799461116 /nfs/dbraw/zinc/46/11/16/799461116.db2.gz LOJHOZNPLHVAIR-CQSZACIVSA-N 1 0 264.413 3.047 20 10 CGCDRO Cc1ccnc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000394268109 799496158 /nfs/dbraw/zinc/49/61/58/799496158.db2.gz KMHNSRICSYTPIS-AWEZNQCLSA-N 1 0 269.392 3.307 20 10 CGCDRO C[C@@H](C[NH2+]Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC000396893677 799510782 /nfs/dbraw/zinc/51/07/82/799510782.db2.gz CXPOFVHOHUTHSL-LLVKDONJSA-N 1 0 274.330 3.431 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CSC[C@@H]2C)cc1 ZINC000397939763 799523157 /nfs/dbraw/zinc/52/31/57/799523157.db2.gz UDZFMLCATDZTLA-BBRMVZONSA-N 1 0 278.465 3.374 20 10 CGCDRO C[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(N3CCCCC3)cc2)O1 ZINC000398089466 799525877 /nfs/dbraw/zinc/52/58/77/799525877.db2.gz RFPQHDVMHMMRQA-QAPCUYQASA-N 1 0 288.435 3.334 20 10 CGCDRO CC[C@@]1(C)CC[N@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000399276745 799537992 /nfs/dbraw/zinc/53/79/92/799537992.db2.gz DMUPWBRJZSKIKT-INIZCTEOSA-N 1 0 279.355 3.356 20 10 CGCDRO Oc1cccc(Cl)c1C[NH+]1CCC(F)(F)CC1 ZINC000404770101 799579653 /nfs/dbraw/zinc/57/96/53/799579653.db2.gz AJUSREUYZHWJHX-UHFFFAOYSA-N 1 0 261.699 3.277 20 10 CGCDRO C/C=C\C[C@H](CO)[NH2+]Cc1ccc(N(CC)CC)c(F)c1 ZINC000588489545 799701056 /nfs/dbraw/zinc/70/10/56/799701056.db2.gz DARQHDKLJTUYED-IJVDHGTGSA-N 1 0 294.414 3.089 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1C[C@@H](C)O[C@H]1C)c1ccc(N(C)C)cc1 ZINC000686511435 799734753 /nfs/dbraw/zinc/73/47/53/799734753.db2.gz PKXZIZFWWHQOTL-ORIJERBGSA-N 1 0 276.424 3.217 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCN2C(C)(C)C)c1 ZINC000690375369 799776063 /nfs/dbraw/zinc/77/60/63/799776063.db2.gz NUFKLPMFRXHTKK-ZIAGYGMSSA-N 1 0 276.424 3.224 20 10 CGCDRO CC(C)C1([NH2+]Cc2ccc(Br)cc2O)CC1 ZINC000691500578 799785600 /nfs/dbraw/zinc/78/56/00/799785600.db2.gz JHBZGOVNKZJMTK-UHFFFAOYSA-N 1 0 284.197 3.433 20 10 CGCDRO CCSC1(C[NH2+][C@@H](C)c2cc(OC)ccc2O)CC1 ZINC000691826547 799787727 /nfs/dbraw/zinc/78/77/27/799787727.db2.gz BMLCILHKVFLTBG-NSHDSACASA-N 1 0 281.421 3.337 20 10 CGCDRO C[C@H](C[NH2+][C@H](C)c1ccccc1O)c1ccccn1 ZINC000692761215 799799515 /nfs/dbraw/zinc/79/95/15/799799515.db2.gz LSWIGXFNJPXNFK-CHWSQXEVSA-N 1 0 256.349 3.242 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)Cc2ccccn2)c(O)c1 ZINC000693998928 799819554 /nfs/dbraw/zinc/81/95/54/799819554.db2.gz CSGAICWOQYIAEP-ZIAGYGMSSA-N 1 0 270.376 3.377 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)Cc2ccccn2)c(O)c1 ZINC000693998923 799819866 /nfs/dbraw/zinc/81/98/66/799819866.db2.gz CSGAICWOQYIAEP-KBPBESRZSA-N 1 0 270.376 3.377 20 10 CGCDRO CC[C@@H](C)CC[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000696182494 799838976 /nfs/dbraw/zinc/83/89/76/799838976.db2.gz RPDOTQWIFAFLOU-VXGBXAGGSA-N 1 0 251.370 3.488 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCC(C)(C)F)c1 ZINC000698339680 799855272 /nfs/dbraw/zinc/85/52/72/799855272.db2.gz HHFXJSZCSBULDD-JTQLQIEISA-N 1 0 255.333 3.190 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CCC2(F)CCC2)cc1 ZINC000702431618 799910053 /nfs/dbraw/zinc/91/00/53/799910053.db2.gz JAANVBZNNVQZMP-UHFFFAOYSA-N 1 0 250.361 3.125 20 10 CGCDRO Oc1ccc(F)cc1C[N@@H+]1CCCC(F)(F)CC1 ZINC000702763174 799912140 /nfs/dbraw/zinc/91/21/40/799912140.db2.gz AJARQUNEQSGYQW-UHFFFAOYSA-N 1 0 259.271 3.153 20 10 CGCDRO CO[C@H](C[NH2+][C@H]1CCc2cccc(O)c21)C1CCCC1 ZINC000703093434 799919298 /nfs/dbraw/zinc/91/92/98/799919298.db2.gz KVMPPAZQLAUAOD-GOEBONIOSA-N 1 0 275.392 3.174 20 10 CGCDRO CCC[C@H](C[NH2+][C@@H](C)c1ccccc1O)OCC ZINC000705360598 799948809 /nfs/dbraw/zinc/94/88/09/799948809.db2.gz BLSXIQNSAUOEFM-QWHCGFSZSA-N 1 0 251.370 3.248 20 10 CGCDRO Oc1cccc(Br)c1C[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000706854244 799967337 /nfs/dbraw/zinc/96/73/37/799967337.db2.gz XNIWBIRFZCYLOJ-GARJFASQSA-N 1 0 296.208 3.433 20 10 CGCDRO CCc1cccc(C[NH2+][C@H](C)c2c(C)noc2C)c1O ZINC000709401280 800008541 /nfs/dbraw/zinc/00/85/41/800008541.db2.gz HZIJIRHRZBAIDQ-SNVBAGLBSA-N 1 0 274.364 3.410 20 10 CGCDRO COc1cccc(C[NH2+]C[C@]23C[C@H]2CCCC3)c1O ZINC000710494535 800034413 /nfs/dbraw/zinc/03/44/13/800034413.db2.gz TWRVSNCGIDUACP-CJNGLKHVSA-N 1 0 261.365 3.071 20 10 CGCDRO CC1(C)CC[C@H](C[NH2+][C@@H]2CCc3cccc(O)c32)OC1 ZINC000711339244 800052008 /nfs/dbraw/zinc/05/20/08/800052008.db2.gz JJRRPSURRMOOCP-ZIAGYGMSSA-N 1 0 275.392 3.174 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@H]2CCC3(CCC3)O2)c1O ZINC000711430776 800058326 /nfs/dbraw/zinc/05/83/26/800058326.db2.gz HLRHRIZZCYNPGU-OAHLLOKOSA-N 1 0 275.392 3.146 20 10 CGCDRO CN(C)c1ccc(C[NH2+]Cc2ccc(Cl)cn2)cc1 ZINC000715704597 800144299 /nfs/dbraw/zinc/14/42/99/800144299.db2.gz XNVBSEUZJCYKLQ-UHFFFAOYSA-N 1 0 275.783 3.091 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2ccns2)c1 ZINC000715933883 800154854 /nfs/dbraw/zinc/15/48/54/800154854.db2.gz VLCWAZDZBNLKNT-ZJUUUORDSA-N 1 0 278.377 3.269 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](C)CC2(C)OCCO2)c1 ZINC000715998990 800158024 /nfs/dbraw/zinc/15/80/24/800158024.db2.gz OLZVGDFSAWUUFL-ZIAGYGMSSA-N 1 0 293.407 3.140 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](C)CC2(C)OCCO2)c(O)c1 ZINC000715996431 800158469 /nfs/dbraw/zinc/15/84/69/800158469.db2.gz GYLPNNLAKPDHRY-ZIAGYGMSSA-N 1 0 293.407 3.140 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1ccns1)c1cc(F)ccc1O ZINC000716002374 800159320 /nfs/dbraw/zinc/15/93/20/800159320.db2.gz ZCBROQNBVOTZPO-BDAKNGLRSA-N 1 0 266.341 3.400 20 10 CGCDRO C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1ccns1 ZINC000716002380 800159687 /nfs/dbraw/zinc/15/96/87/800159687.db2.gz ZCBROQNBVOTZPO-IUCAKERBSA-N 1 0 266.341 3.400 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]CC2C[C@H]3CC[C@@H](C2)S3)c1 ZINC000716002636 800159889 /nfs/dbraw/zinc/15/98/89/800159889.db2.gz SPZFQJFPBNKXTR-LQDVMPOASA-N 1 0 277.433 3.464 20 10 CGCDRO CC[N@H+](Cc1cc(Cl)ccc1O)C1CCOCC1 ZINC000716478466 800172481 /nfs/dbraw/zinc/17/24/81/800172481.db2.gz KLIXBXFMMHMGKP-UHFFFAOYSA-N 1 0 269.772 3.047 20 10 CGCDRO CC[C@H](C[C@H](C)O)[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2C ZINC000716888683 800183960 /nfs/dbraw/zinc/18/39/60/800183960.db2.gz XEJOQSOVMBEJTL-IGQOVBAYSA-N 1 0 277.408 3.388 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]C2(C3CC3)CCC2)c1O ZINC000717817308 800205719 /nfs/dbraw/zinc/20/57/19/800205719.db2.gz YRUGYGPCMOENFH-UHFFFAOYSA-N 1 0 281.783 3.477 20 10 CGCDRO CC[C@@H]([NH2+]CCC(C)(C)COC)c1ccccc1O ZINC000718774115 800222437 /nfs/dbraw/zinc/22/24/37/800222437.db2.gz OFNOHIMWISNNAL-CQSZACIVSA-N 1 0 265.397 3.496 20 10 CGCDRO C[C@@H]([NH2+]CC1(C)CC(F)(F)C1)c1ccccc1O ZINC000720949310 800273510 /nfs/dbraw/zinc/27/35/10/800273510.db2.gz MAPCVEIRNMCBDX-SNVBAGLBSA-N 1 0 255.308 3.478 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CC[C@@H](C3CC3)O2)c1 ZINC000722334381 800315192 /nfs/dbraw/zinc/31/51/92/800315192.db2.gz TXMYJIVGYCEIPE-QEORTHHSSA-N 1 0 275.392 3.309 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1)c1ccccc1O ZINC000723628390 800331917 /nfs/dbraw/zinc/33/19/17/800331917.db2.gz HNEBZPGFDQGCJZ-LJISPDSOSA-N 1 0 275.392 3.248 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCC2CC=CC2)c1 ZINC000724205969 800356973 /nfs/dbraw/zinc/35/69/73/800356973.db2.gz UOMLEVDDKSSIFV-LBPRGKRZSA-N 1 0 261.365 3.408 20 10 CGCDRO CCc1cc(C[NH2+][C@H](C)c2ccc(N(C)CC)cc2)[nH]n1 ZINC000765994596 800383354 /nfs/dbraw/zinc/38/33/54/800383354.db2.gz PRGWHLTWNFKPIX-CYBMUJFWSA-N 1 0 286.423 3.279 20 10 CGCDRO CCOc1cccc(C[NH2+][C@H](c2ccccn2)C2CC2)c1O ZINC000922586383 800619085 /nfs/dbraw/zinc/61/90/85/800619085.db2.gz LPJPOKLFCMFCDL-KRWDZBQOSA-N 1 0 298.386 3.427 20 10 CGCDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)CC1(O)CCCC1 ZINC001116444131 802351416 /nfs/dbraw/zinc/35/14/16/802351416.db2.gz RSXVXNNCVKDPKR-UHFFFAOYSA-N 1 0 288.435 3.024 20 10 CGCDRO CCn1ccc(C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3C)n1 ZINC001118008081 802519149 /nfs/dbraw/zinc/51/91/49/802519149.db2.gz XSYMTEFGGAVTMU-OCCSQVGLSA-N 1 0 285.391 3.255 20 10 CGCDRO Nc1ccc(C[N@@H+]2CC[C@H](COc3ccccc3)C2)cc1 ZINC001120370858 802742296 /nfs/dbraw/zinc/74/22/96/802742296.db2.gz HRXJYYRGHBHRDT-INIZCTEOSA-N 1 0 282.387 3.170 20 10 CGCDRO Cn1ccc2c1cc[nH+]c2-c1ccc(Cl)cc1N ZINC001244194131 803237017 /nfs/dbraw/zinc/23/70/17/803237017.db2.gz GQJXOHYJWNXQFS-UHFFFAOYSA-N 1 0 257.724 3.476 20 10 CGCDRO CC[N@@H+](Cc1ccccc1O)C[C@H](C)C(F)(F)F ZINC001208892060 813884360 /nfs/dbraw/zinc/88/43/60/813884360.db2.gz NHOJKWWODOYRTB-JTQLQIEISA-N 1 0 261.287 3.413 20 10 CGCDRO Oc1c(F)cccc1CN1CCCC(F)(F)[C@H](F)C1 ZINC001138123608 803863112 /nfs/dbraw/zinc/86/31/12/803863112.db2.gz CDYJPHCRFMVKEO-LLVKDONJSA-N 1 0 277.261 3.101 20 10 CGCDRO CC(=O)[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC001138220656 803874924 /nfs/dbraw/zinc/87/49/24/803874924.db2.gz LBKLVFDDSCHGCA-KRWDZBQOSA-N 1 0 286.419 3.088 20 10 CGCDRO Cc1c(C[N@H+]2CCC[C@@H](C)[C@@H]2CO)c2ccccc2n1C ZINC001138252346 803880833 /nfs/dbraw/zinc/88/08/33/803880833.db2.gz CZONYFUMDRWKAV-ACJLOTCBSA-N 1 0 286.419 3.080 20 10 CGCDRO Cc1c(C[N@@H+]2CCC[C@@H]2C(C)(C)O)c2ccccc2n1C ZINC001138257899 803883025 /nfs/dbraw/zinc/88/30/25/803883025.db2.gz CBTYOZLCLWQMLX-QGZVFWFLSA-N 1 0 286.419 3.222 20 10 CGCDRO Cc1c(C[N@@H+]2C[C@H]3CCCC(=O)[C@@H]3C2)c2ccccc2n1C ZINC001138260625 803883392 /nfs/dbraw/zinc/88/33/92/803883392.db2.gz NCJHGNQWZFLGSW-RHSMWYFYSA-N 1 0 296.414 3.288 20 10 CGCDRO Cc1c(C[N@@H+]2CC[C@@H]3OCC[C@H]3C2)c2ccccc2n1C ZINC001138258024 803883764 /nfs/dbraw/zinc/88/37/64/803883764.db2.gz ISDJSZYWVJYTKD-KSSFIOAISA-N 1 0 284.403 3.098 20 10 CGCDRO Cc1c(C[N@@H+]2CCc3cccnc3C2)c2ccccc2n1C ZINC001138258012 803884690 /nfs/dbraw/zinc/88/46/90/803884690.db2.gz IEQWQIOAELAMPA-UHFFFAOYSA-N 1 0 291.398 3.440 20 10 CGCDRO CC[N@H+](Cc1ccnc(Cl)c1)Cc1ccccc1O ZINC001138819591 804046480 /nfs/dbraw/zinc/04/64/80/804046480.db2.gz GSWJLLSLFYTONA-UHFFFAOYSA-N 1 0 276.767 3.463 20 10 CGCDRO Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CC2CCC1CC2 ZINC001139129232 804133665 /nfs/dbraw/zinc/13/36/65/804133665.db2.gz RHYYGBCZACZIIS-UHFFFAOYSA-N 1 0 299.370 3.181 20 10 CGCDRO Cc1cc(C[N@@H+]2CCC[C@@](C)(F)C2)ccc1N(C)C ZINC001139669606 804245115 /nfs/dbraw/zinc/24/51/15/804245115.db2.gz DCZIKYJQGDVINR-MRXNPFEDSA-N 1 0 264.388 3.385 20 10 CGCDRO Cc1ccc(C)c(C[N@@H+]2CCc3c(O)cccc3C2)c1O ZINC001140178143 804395184 /nfs/dbraw/zinc/39/51/84/804395184.db2.gz AKKRBIILZHYTOO-UHFFFAOYSA-N 1 0 283.371 3.273 20 10 CGCDRO Cc1ccc(C)c(C[N@@H+]2CCC[C@]3(CCOC3)C2)c1O ZINC001140181983 804397334 /nfs/dbraw/zinc/39/73/34/804397334.db2.gz ZDFGEIXRMBVUHK-KRWDZBQOSA-N 1 0 275.392 3.012 20 10 CGCDRO Cc1ccc(C)c(C[N@H+]2CCN(C)CC23CCCC3)c1O ZINC001140185505 804398657 /nfs/dbraw/zinc/39/86/57/804398657.db2.gz XYDZNZAICVSAMI-UHFFFAOYSA-N 1 0 288.435 3.069 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2c(O)cccc2Cl)CC[C@@]1(C)O ZINC001140337723 804417909 /nfs/dbraw/zinc/41/79/09/804417909.db2.gz BCSPTPFDRCALOL-IAQYHMDHSA-N 1 0 283.799 3.029 20 10 CGCDRO C[N@@H+]1CCN(Cc2c(O)cccc2Cl)C2(CCCC2)C1 ZINC001140342438 804420912 /nfs/dbraw/zinc/42/09/12/804420912.db2.gz JCNFXJIWDZLZNT-UHFFFAOYSA-N 1 0 294.826 3.106 20 10 CGCDRO Oc1cc(Cl)ccc1C[NH+]1CCC2(CCOC2)CC1 ZINC001140461776 804441047 /nfs/dbraw/zinc/44/10/47/804441047.db2.gz TZVYHXBXCKFZBA-UHFFFAOYSA-N 1 0 281.783 3.048 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2O)C2(CC2)C1 ZINC001140464351 804441168 /nfs/dbraw/zinc/44/11/68/804441168.db2.gz MJUKBLIPMUYOFO-JTQLQIEISA-N 1 0 251.757 3.420 20 10 CGCDRO Oc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](CF)C1 ZINC001140467506 804444267 /nfs/dbraw/zinc/44/42/67/804444267.db2.gz WDVWWMOPKZUFTR-JTQLQIEISA-N 1 0 257.736 3.227 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](OCc3ccccc3)C2)c1 ZINC001140621348 804476344 /nfs/dbraw/zinc/47/63/44/804476344.db2.gz YLBQJUYKEOBGBC-GOSISDBHSA-N 1 0 297.398 3.492 20 10 CGCDRO Cc1ccc(O)c(C[NH+]2CCC3(CCC(=O)CC3)CC2)c1 ZINC001140623211 804476903 /nfs/dbraw/zinc/47/69/03/804476903.db2.gz LGYJXELTAXVOOX-UHFFFAOYSA-N 1 0 287.403 3.426 20 10 CGCDRO CCCCCC[NH+]1CCN(Cc2cc(C)ccc2O)CC1 ZINC001140620874 804477014 /nfs/dbraw/zinc/47/70/14/804477014.db2.gz CVHNJFWEZPWNMW-UHFFFAOYSA-N 1 0 290.451 3.399 20 10 CGCDRO CC1(C)CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1F ZINC001140660424 804485562 /nfs/dbraw/zinc/48/55/62/804485562.db2.gz RHTAWUGBVSHLRS-UHFFFAOYSA-N 1 0 292.398 3.037 20 10 CGCDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1F ZINC001140662119 804487255 /nfs/dbraw/zinc/48/72/55/804487255.db2.gz FYFVGJRGARBOBO-AWEZNQCLSA-N 1 0 292.398 3.037 20 10 CGCDRO Cc1c(O)ccc(C[N@H+]2CCC[C@@H](C)[C@@H](C)C2)c1O ZINC001140742160 804503620 /nfs/dbraw/zinc/50/36/20/804503620.db2.gz JFGADYBWMLJGRZ-NEPJUHHUSA-N 1 0 263.381 3.274 20 10 CGCDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)c1O ZINC001140747364 804504950 /nfs/dbraw/zinc/50/49/50/804504950.db2.gz AJIFLWQZOOKUPC-GXTWGEPZSA-N 1 0 261.365 3.171 20 10 CGCDRO Cc1cccc(CC[N@@H+](C)Cc2ccc(O)c(C)c2O)c1 ZINC001140749019 804505110 /nfs/dbraw/zinc/50/51/10/804505110.db2.gz ONFSSQPUOZPIEC-UHFFFAOYSA-N 1 0 285.387 3.389 20 10 CGCDRO CC[N@H+](Cc1ccc(OC)c(N)c1)Cc1ccccc1O ZINC001140898235 804545475 /nfs/dbraw/zinc/54/54/75/804545475.db2.gz DEQZOINEIVEZJE-UHFFFAOYSA-N 1 0 286.375 3.005 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@](C)(O)C2)c(Cl)c1 ZINC001140921549 804549686 /nfs/dbraw/zinc/54/96/86/804549686.db2.gz HNLLVWLFUCHBBB-INIZCTEOSA-N 1 0 296.842 3.143 20 10 CGCDRO CCC1(O)CC[NH+](Cc2ccc(N(C)C)cc2Cl)CC1 ZINC001140925598 804551053 /nfs/dbraw/zinc/55/10/53/804551053.db2.gz SHTNLLZMEVCGNR-UHFFFAOYSA-N 1 0 296.842 3.143 20 10 CGCDRO Cc1ccc(C[N@@H+]2CC[C@@H](OCc3ccccc3)C2)c(O)c1 ZINC001140949387 804556806 /nfs/dbraw/zinc/55/68/06/804556806.db2.gz APIZVCMBGIRIFO-GOSISDBHSA-N 1 0 297.398 3.492 20 10 CGCDRO CCC[N@@H+](Cc1ccc2c(c1)OCCN2C)CC1CC1 ZINC001141139137 804596397 /nfs/dbraw/zinc/59/63/97/804596397.db2.gz KDVZBRKONPYSNR-UHFFFAOYSA-N 1 0 274.408 3.137 20 10 CGCDRO CC1(C)CCC2(CC[NH+](Cc3cc(O)ccc3O)CC2)O1 ZINC001141162336 804601893 /nfs/dbraw/zinc/60/18/93/804601893.db2.gz PXMIKLKJYRCWNC-UHFFFAOYSA-N 1 0 291.391 3.021 20 10 CGCDRO C[N@@H+](Cc1cc(F)c(F)cc1[O-])CC1CCCC1 ZINC001142527528 804733442 /nfs/dbraw/zinc/73/34/42/804733442.db2.gz XZOSYMXKFDTNJU-UHFFFAOYSA-N 1 0 255.308 3.292 20 10 CGCDRO C[NH+](C)[C@H]1CCCN(Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143110817 804804462 /nfs/dbraw/zinc/80/44/62/804804462.db2.gz QDEGNKNPNALXOZ-HNNXBMFYSA-N 1 0 290.451 3.216 20 10 CGCDRO CC[C@H]1c2ccccc2CC[N@H+]1Cc1c(O)cc(O)cc1O ZINC001144515043 804997244 /nfs/dbraw/zinc/99/72/44/804997244.db2.gz CKLSMLWTOSHWHS-INIZCTEOSA-N 1 0 299.370 3.313 20 10 CGCDRO CCN(Cc1ccccc1O)c1[nH+]ccc2c1ccn2C ZINC001154890206 805506221 /nfs/dbraw/zinc/50/62/21/805506221.db2.gz SSQGDMPNGBCQBP-UHFFFAOYSA-N 1 0 281.359 3.305 20 10 CGCDRO CCCC[C@@H](CC)[NH2+]CCc1ccc(O)c(O)c1 ZINC001257411596 807142079 /nfs/dbraw/zinc/14/20/79/807142079.db2.gz WADARXBXFQLLGT-CYBMUJFWSA-N 1 0 251.370 3.199 20 10 CGCDRO CCOC(=O)CCC[C@@H](C)[N@H+](CC)Cc1ccccc1O ZINC001258128510 807317106 /nfs/dbraw/zinc/31/71/06/807317106.db2.gz IXEBBZMSQPVANG-CQSZACIVSA-N 1 0 293.407 3.336 20 10 CGCDRO Oc1cccc2c1C[N@@H+]([C@H]1CCc3cc(F)ccc3C1)CC2 ZINC001168444081 807417709 /nfs/dbraw/zinc/41/77/09/807417709.db2.gz FSKRZHIEXAUBJM-KRWDZBQOSA-N 1 0 297.373 3.447 20 10 CGCDRO CCCCC(CCCC)[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001258379141 807432641 /nfs/dbraw/zinc/43/26/41/807432641.db2.gz YDNCVRHGSOJJFQ-KRWDZBQOSA-N 1 0 295.423 3.470 20 10 CGCDRO C[C@H]1C[C@H]([NH2+]CC(=O)c2ccc(O)c(O)c2)CC(C)(C)C1 ZINC001258688924 807544878 /nfs/dbraw/zinc/54/48/78/807544878.db2.gz ZSJYEQOFQVSAPD-AAEUAGOBSA-N 1 0 291.391 3.085 20 10 CGCDRO CC[C@H](C)C[C@H](CC)[NH2+]CCc1ccc(O)c(O)c1 ZINC001258780539 807607757 /nfs/dbraw/zinc/60/77/57/807607757.db2.gz OUCUALHCDQXTDB-JSGCOSHPSA-N 1 0 265.397 3.445 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)c(Cl)c1 ZINC001261366864 807739818 /nfs/dbraw/zinc/73/98/18/807739818.db2.gz IIHBQQIVEBGMQS-LRDDRELGSA-N 1 0 295.810 3.355 20 10 CGCDRO C[C@H]([NH2+]C1CC2(CC2(F)F)C1)c1ccccc1O ZINC001261602943 807770218 /nfs/dbraw/zinc/77/02/18/807770218.db2.gz GOAAMIOXSKJTPW-JBLZRFIASA-N 1 0 253.292 3.231 20 10 CGCDRO C/C(=C\C=C\N)[NH2+]Cc1cc2ccccc2cc1O ZINC001171405504 808048286 /nfs/dbraw/zinc/04/82/86/808048286.db2.gz XZKCXVFDMVERAK-FWSLBAKWSA-N 1 0 254.333 3.011 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H]2Cc3cccc(F)c3C2)cc1 ZINC001171783076 808138848 /nfs/dbraw/zinc/13/88/48/808138848.db2.gz JRBVBGSKJKXXDZ-OAHLLOKOSA-N 1 0 284.378 3.149 20 10 CGCDRO CC[C@@H](C)OCC[C@@H](C)[N@@H+]1CCc2cccc(O)c2C1 ZINC001172345059 808244520 /nfs/dbraw/zinc/24/45/20/808244520.db2.gz DNXZTSIRPUZEQW-ZIAGYGMSSA-N 1 0 277.408 3.344 20 10 CGCDRO CC[N@H+](Cc1ccccc1O)[C@@H]1CCC[C@H](OC)C1 ZINC001172946187 808493011 /nfs/dbraw/zinc/49/30/11/808493011.db2.gz SMOODFKUHVVXPN-CABCVRRESA-N 1 0 263.381 3.172 20 10 CGCDRO CO[C@H]1CCC[C@@H]([N@H+](C)Cc2ccc(N(C)C)cc2)C1 ZINC001172951788 808494486 /nfs/dbraw/zinc/49/44/86/808494486.db2.gz TYJLSVYLZFHONN-SJORKVTESA-N 1 0 276.424 3.142 20 10 CGCDRO C[C@H]([NH2+]C1Cc2cc(F)c(F)cc2C1)c1ccccc1O ZINC001173472026 808642593 /nfs/dbraw/zinc/64/25/93/808642593.db2.gz BRWPDQKJNFBPNB-JTQLQIEISA-N 1 0 289.325 3.488 20 10 CGCDRO COc1ccc(N2CCC[C@]3(CCC[N@H+](C)C3)C2)cc1 ZINC001276924310 809044861 /nfs/dbraw/zinc/04/48/61/809044861.db2.gz HTTBAHBEQASAAP-KRWDZBQOSA-N 1 0 274.408 3.007 20 10 CGCDRO CC(C)[C@@H]1CC[N@@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC001180326372 809993266 /nfs/dbraw/zinc/99/32/66/809993266.db2.gz KNCVIRRRAYITIL-RTRPANQVSA-N 1 0 258.409 3.496 20 10 CGCDRO Cc1cc(O)c(C[N@H+](C)C[C@H]2CCCC[C@@H]2O)c(Cl)c1 ZINC001180332815 809994693 /nfs/dbraw/zinc/99/46/93/809994693.db2.gz UPZDKKZEXCVMGM-DOMZBBRYSA-N 1 0 297.826 3.337 20 10 CGCDRO CCc1cccc(C[NH2+][C@H](CO)CCC(C)(C)C)c1O ZINC001181222896 810043215 /nfs/dbraw/zinc/04/32/15/810043215.db2.gz KXUVAXPKKXZFPY-HNNXBMFYSA-N 1 0 279.424 3.231 20 10 CGCDRO Oc1cc(Cl)ccc1C[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC001181315539 810047797 /nfs/dbraw/zinc/04/77/97/810047797.db2.gz NWMWCKUQAZIBNJ-OAHLLOKOSA-N 1 0 295.741 3.008 20 10 CGCDRO CCC[C@]1(CO)CC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001182142235 810095299 /nfs/dbraw/zinc/09/52/99/810095299.db2.gz YDSXYFXTSAOPKQ-HNNXBMFYSA-N 1 0 283.799 3.030 20 10 CGCDRO CO[C@@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2O)C12CCC2 ZINC001182249712 810100100 /nfs/dbraw/zinc/10/01/00/810100100.db2.gz GFCWBHXYCFTQBX-UONOGXRCSA-N 1 0 281.783 3.093 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2cc3cccnc3o2)c1 ZINC001182959598 810132429 /nfs/dbraw/zinc/13/24/29/810132429.db2.gz MEVLJKWKRPONKX-UHFFFAOYSA-N 1 0 268.316 3.132 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CC[C@@H](C3CC3)O2)cc1Cl ZINC001184055905 810175779 /nfs/dbraw/zinc/17/57/79/810175779.db2.gz OAANPFYSCWVXSM-CJNGLKHVSA-N 1 0 295.810 3.401 20 10 CGCDRO CN(C)c1cc(F)c(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)cc1F ZINC001184276969 810187534 /nfs/dbraw/zinc/18/75/34/810187534.db2.gz JKTPWDJCTQDLCR-TXEJJXNPSA-N 1 0 280.362 3.263 20 10 CGCDRO Oc1cc2c(cc1O)C[N@H+](C[C@H]1CC=CCC1)CCC2 ZINC001201421682 811838923 /nfs/dbraw/zinc/83/89/23/811838923.db2.gz DDGCVDLDPQARAO-ZDUSSCGKSA-N 1 0 273.376 3.202 20 10 CGCDRO CCC[N@H+](Cc1cccc(OC)c1O)[C@@H](C)CC ZINC001203586099 812401458 /nfs/dbraw/zinc/40/14/58/812401458.db2.gz YJIDCQFEEKNGRI-LBPRGKRZSA-N 1 0 251.370 3.411 20 10 CGCDRO COc1cccc(C[N@@H+]2CCC[C@@H](c3ccccn3)C2)c1O ZINC001203595948 812404004 /nfs/dbraw/zinc/40/40/04/812404004.db2.gz TZHZUGSCSPULKU-CQSZACIVSA-N 1 0 298.386 3.175 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@H+](CC1CC1)C1CC1 ZINC001203664577 812422291 /nfs/dbraw/zinc/42/22/91/812422291.db2.gz LLMRGKUVBUTWTM-UHFFFAOYSA-N 1 0 251.757 3.420 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](C)[C@@H](C)C2)c1 ZINC001203669883 812425288 /nfs/dbraw/zinc/42/52/88/812425288.db2.gz GRNPGUFBWCTYSM-STQMWFEESA-N 1 0 263.381 3.269 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](C)[C@H](C)C2)c1 ZINC001203669882 812425711 /nfs/dbraw/zinc/42/57/11/812425711.db2.gz GRNPGUFBWCTYSM-QWHCGFSZSA-N 1 0 263.381 3.269 20 10 CGCDRO Oc1ccc(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)cc1O ZINC001203882639 812479447 /nfs/dbraw/zinc/47/94/47/812479447.db2.gz OTNXNUSZQQPFPK-KBPBESRZSA-N 1 0 261.365 3.252 20 10 CGCDRO CC(C)[N@H+](CCCCCO)Cc1ccc(N(C)C)cc1 ZINC001203935794 812495635 /nfs/dbraw/zinc/49/56/35/812495635.db2.gz DMUFPYQTJSQXDS-UHFFFAOYSA-N 1 0 278.440 3.126 20 10 CGCDRO CCN(CC)c1ccc(C[NH+]2CCC(C(C)=O)CC2)cc1 ZINC001203942395 812497461 /nfs/dbraw/zinc/49/74/61/812497461.db2.gz OSIAMVBJBYHILB-UHFFFAOYSA-N 1 0 288.435 3.334 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)C[C@H]2Cc3ccccc3O2)cc1 ZINC001203937304 812497544 /nfs/dbraw/zinc/49/75/44/812497544.db2.gz UMASMLSZPJXELY-GOSISDBHSA-N 1 0 296.414 3.188 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H]2CF)cc1 ZINC001203945374 812498715 /nfs/dbraw/zinc/49/87/15/812498715.db2.gz LJIYEIIZKIGCCZ-MRXNPFEDSA-N 1 0 264.388 3.467 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCOC[C@@H]2C(C)C)cc1 ZINC001203942907 812499142 /nfs/dbraw/zinc/49/91/42/812499142.db2.gz YDWXFDQONMANIO-GOSISDBHSA-N 1 0 290.451 3.390 20 10 CGCDRO CC1C[NH+](Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001204232578 812580267 /nfs/dbraw/zinc/58/02/67/812580267.db2.gz FPHLGIQXEMORCA-UHFFFAOYSA-N 1 0 254.377 3.358 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)[C@@H]2CCN(C)C2)c2ccccc21 ZINC001204241178 812583892 /nfs/dbraw/zinc/58/38/92/812583892.db2.gz ZCZLOWMJHKUOET-MRXNPFEDSA-N 1 0 297.446 3.042 20 10 CGCDRO CC[N@H+](Cc1ccc(N2CCCC2)cc1)C1CCOCC1 ZINC001204327258 812614796 /nfs/dbraw/zinc/61/47/96/812614796.db2.gz NMEVIWZQSUBMCX-UHFFFAOYSA-N 1 0 288.435 3.288 20 10 CGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)c1 ZINC001204594037 812683651 /nfs/dbraw/zinc/68/36/51/812683651.db2.gz WIAOQDQIRDTBBJ-JKSUJKDBSA-N 1 0 289.419 3.374 20 10 CGCDRO Cc1cc(O)c(C[N@@H+](CC2CCC2)[C@@H](C)CO)cc1Cl ZINC001205765492 813071325 /nfs/dbraw/zinc/07/13/25/813071325.db2.gz AZCJOGJIXMCNCO-LBPRGKRZSA-N 1 0 297.826 3.337 20 10 CGCDRO Cc1c(CN2C[C@H](C)CC[C@H]2C[NH3+])c2ccccc2n1C ZINC001205814274 813090887 /nfs/dbraw/zinc/09/08/87/813090887.db2.gz BYCMBKQLHVRODL-HIFRSBDPSA-N 1 0 285.435 3.046 20 10 CGCDRO C[C@@H]1CCN(Cc2ccc(N(C)C)c3ccccc23)C[C@H]1[NH3+] ZINC001206035625 813175274 /nfs/dbraw/zinc/17/52/74/813175274.db2.gz CQZALTHCAZIOIA-RDTXWAMCSA-N 1 0 297.446 3.075 20 10 CGCDRO Cc1ccnc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)c1 ZINC001206854192 813453275 /nfs/dbraw/zinc/45/32/75/813453275.db2.gz VHXWVLXESKMGFC-UHFFFAOYSA-N 1 0 269.392 3.088 20 10 CGCDRO COc1cc(C)c(C[NH+]2CC(c3ccccc3)C2)c(O)c1 ZINC001207111370 813487740 /nfs/dbraw/zinc/48/77/40/813487740.db2.gz UAIXCYHCIFNJEJ-UHFFFAOYSA-N 1 0 283.371 3.309 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(C[N@H+]2CC[C@@H](CO)[C@H]2C)cc1 ZINC001209516712 814071086 /nfs/dbraw/zinc/07/10/86/814071086.db2.gz MMBUJFPSZJHNIA-AEFFLSMTSA-N 1 0 298.430 3.297 20 10 CGCDRO CCCC[C@@H](CC)Oc1ccc(N2CC[NH2+]CC2)cc1 ZINC001218222424 816131750 /nfs/dbraw/zinc/13/17/50/816131750.db2.gz CJCLKMNHKKPQKF-MRXNPFEDSA-N 1 0 276.424 3.444 20 10 CGCDRO C[C@@H]1CC[C@H](C)[C@H](Oc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001218291556 816154839 /nfs/dbraw/zinc/15/48/39/816154839.db2.gz OYIHCFRIGCAKQM-RVKKMQEKSA-N 1 0 288.435 3.300 20 10 CGCDRO C[C@@H]1CCC[C@H](Oc2ccc(N3CC[NH2+]CC3)cc2)[C@@H]1C ZINC001218353628 816175006 /nfs/dbraw/zinc/17/50/06/816175006.db2.gz JHYUFFSNYSTGGU-RKVPGOIHSA-N 1 0 288.435 3.300 20 10 CGCDRO CC(C)(C)c1ccc(O)c(CN2CCC[C@@]3(CC[NH2+]3)C2)c1 ZINC001222288138 816397792 /nfs/dbraw/zinc/39/77/92/816397792.db2.gz WXDVLWZEHTUIOG-GOSISDBHSA-N 1 0 288.435 3.018 20 10 CGCDRO C[NH+](C)Cc1ccc(OCc2ccccc2)cc1O ZINC001231467005 818105057 /nfs/dbraw/zinc/10/50/57/818105057.db2.gz YMGDRNCEBUKIJE-UHFFFAOYSA-N 1 0 257.333 3.033 20 10 CGCDRO C[C@H]1CC(=O)CC[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC001231587563 818129977 /nfs/dbraw/zinc/12/99/77/818129977.db2.gz FMYJBEREEWJIMJ-LBPRGKRZSA-N 1 0 269.344 3.099 20 10 CGCDRO Oc1ccc2ccccc2c1C[NH+]1CC2(C1)CCOCC2 ZINC001231587464 818130052 /nfs/dbraw/zinc/13/00/52/818130052.db2.gz CVCRTNYNRNVYSY-UHFFFAOYSA-N 1 0 283.371 3.158 20 10 CGCDRO COc1cc(C[N@@H+]2CCc3ccccc3[C@H]2C)c(O)cc1O ZINC001231634123 818143970 /nfs/dbraw/zinc/14/39/70/818143970.db2.gz INMSINCTPZRCCF-GFCCVEGCSA-N 1 0 299.370 3.226 20 10 CGCDRO Cc1cc(C)c(C[N@@H+]2CCC[C@@H]2CN2CCCC2)c(O)c1 ZINC001231846137 818186948 /nfs/dbraw/zinc/18/69/48/818186948.db2.gz GQFNDVTULWSVNR-MRXNPFEDSA-N 1 0 288.435 3.069 20 10 CGCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCCC[C@@H](F)C1 ZINC001231848639 818187065 /nfs/dbraw/zinc/18/70/65/818187065.db2.gz JDFVGRUKRSTLAH-CQSZACIVSA-N 1 0 280.387 3.085 20 10 CGCDRO COc1cc(N(C)C)ccc1C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC001231849006 818187684 /nfs/dbraw/zinc/18/76/84/818187684.db2.gz MNCHZRJARCFVIM-GASCZTMLSA-N 1 0 288.435 3.383 20 10 CGCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H](C)CC1 ZINC001231851377 818188609 /nfs/dbraw/zinc/18/86/09/818188609.db2.gz GONHKGFGASBXFY-AWEZNQCLSA-N 1 0 276.424 3.383 20 10 CGCDRO Cc1cc(C)c(C[N@H+]2CC[C@H](OC(C)C)C2)c(O)c1 ZINC001231849121 818189138 /nfs/dbraw/zinc/18/91/38/818189138.db2.gz NFUKOTXEFNEARY-AWEZNQCLSA-N 1 0 263.381 3.008 20 10 CGCDRO CC(C)OC1C[NH+](Cc2ccc3ccccc3c2O)C1 ZINC001231882725 818202470 /nfs/dbraw/zinc/20/24/70/818202470.db2.gz LGFHXXKZYVWJKO-UHFFFAOYSA-N 1 0 271.360 3.155 20 10 CGCDRO C[C@]1(F)CCCC[N@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232258534 818295058 /nfs/dbraw/zinc/29/50/58/818295058.db2.gz AKSKFHNGNRZBLB-AWEZNQCLSA-N 1 0 287.762 3.465 20 10 CGCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@H](F)CC2)cc1Cl ZINC001232258616 818295469 /nfs/dbraw/zinc/29/54/69/818295469.db2.gz AZSHCHFVAVEBJZ-JTQLQIEISA-N 1 0 273.735 3.075 20 10 CGCDRO COc1cc(O)c(C[N@H+]2CC[C@H](OC)C[C@H]2C)cc1Cl ZINC001232271134 818299974 /nfs/dbraw/zinc/29/99/74/818299974.db2.gz NZAWNJZBPIWYBO-PWSUYJOCSA-N 1 0 299.798 3.054 20 10 CGCDRO COC(=O)c1c(C[N@H+](C)C(C)(C)C)c2ccccc2n1C ZINC001232407045 818339784 /nfs/dbraw/zinc/33/97/84/818339784.db2.gz KKCYEVQQAQNMCJ-UHFFFAOYSA-N 1 0 288.391 3.195 20 10 CGCDRO CC[N@H+](Cc1cccc(CF)n1)Cc1ccccc1O ZINC001232537186 818380369 /nfs/dbraw/zinc/38/03/69/818380369.db2.gz DNISYEBQOYXBCO-UHFFFAOYSA-N 1 0 274.339 3.279 20 10 CGCDRO CNc1ccccc1C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC001232672517 818414982 /nfs/dbraw/zinc/41/49/82/818414982.db2.gz DXFNVEUOQSTDFU-UHFFFAOYSA-N 1 0 283.419 3.426 20 10 CGCDRO CC(C)[C@@H]1CCC[N@@H+]1Cc1ccc(N(C)C)cc1O ZINC001232840688 818453051 /nfs/dbraw/zinc/45/30/51/818453051.db2.gz HBOILSQBCBBGOG-HNNXBMFYSA-N 1 0 262.397 3.079 20 10 CGCDRO C[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2O)[C@@H]1C ZINC001232839446 818453380 /nfs/dbraw/zinc/45/33/80/818453380.db2.gz OEWOYENZWYEHSA-CHWSQXEVSA-N 1 0 262.397 3.079 20 10 CGCDRO Oc1cc(C[N@H+](Cc2ccccc2)C2CCC2)cc(O)c1O ZINC001233014962 818502632 /nfs/dbraw/zinc/50/26/32/818502632.db2.gz CKSYWJYDOXALLO-UHFFFAOYSA-N 1 0 299.370 3.358 20 10 CGCDRO CC[N@H+](Cc1ccc(C(F)(F)F)cc1O)CC(C)(C)O ZINC001233455139 818623899 /nfs/dbraw/zinc/62/38/99/818623899.db2.gz XUGJDMKWYBDHJL-UHFFFAOYSA-N 1 0 291.313 3.004 20 10 CGCDRO CC[C@H]1c2ccccc2CC[N@H+]1Cc1cc(O)c(O)cc1O ZINC001233486591 818625729 /nfs/dbraw/zinc/62/57/29/818625729.db2.gz TVOAJKRMPAVLMQ-HNNXBMFYSA-N 1 0 299.370 3.313 20 10 CGCDRO C[C@H]1CC[N@H+](Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233727701 818691676 /nfs/dbraw/zinc/69/16/76/818691676.db2.gz OISPRVINVFQEFJ-VIFPVBQESA-N 1 0 275.270 3.133 20 10 CGCDRO CC[NH+]1CCN(c2ccc(O[C@@H](C)C(C)C)cc2)CC1 ZINC001234658027 818908305 /nfs/dbraw/zinc/90/83/05/818908305.db2.gz QZQOWPDLXKRMRU-HNNXBMFYSA-N 1 0 276.424 3.252 20 10 CGCDRO C[C@H]1C[C@@H](CO)[N@H+](Cc2cccc(-c3ccccc3)c2O)C1 ZINC001234993292 818970594 /nfs/dbraw/zinc/97/05/94/818970594.db2.gz YHCZUITYIZYXGC-YOEHRIQHSA-N 1 0 297.398 3.262 20 10 CGCDRO Oc1c(C[N@H+]2CCC[C@H](O)CC2)cccc1-c1ccccc1 ZINC001234991370 818970651 /nfs/dbraw/zinc/97/06/51/818970651.db2.gz MBRKYBGVPWENDV-KRWDZBQOSA-N 1 0 297.398 3.406 20 10 CGCDRO CC(C)(C)c1ccc(O)c(CN2CCC[C@@]23CC[NH2+]C3)c1 ZINC001235108602 819003636 /nfs/dbraw/zinc/00/36/36/819003636.db2.gz BMJCKTHBTKCSDX-SFHVURJKSA-N 1 0 288.435 3.018 20 10 CGCDRO CC(C)[N@H+](CCCO)Cc1ccc(C(C)(C)C)cc1O ZINC001235685264 819141829 /nfs/dbraw/zinc/14/18/29/819141829.db2.gz OBGCLRNHQYKHAQ-UHFFFAOYSA-N 1 0 279.424 3.283 20 10 CGCDRO Nc1ccc(C[N@@H+]2CC[C@H](c3ccccc3F)C2)cc1 ZINC001235726023 819155349 /nfs/dbraw/zinc/15/53/49/819155349.db2.gz LVGXEKCSXFAVTQ-AWEZNQCLSA-N 1 0 270.351 3.397 20 10 CGCDRO CC[NH2+]C1CCN(Cc2ccc(N(CC)CC)cc2)CC1 ZINC001235726580 819155640 /nfs/dbraw/zinc/15/56/40/819155640.db2.gz UGCLEPKBRQHPSG-UHFFFAOYSA-N 1 0 289.467 3.107 20 10 CGCDRO C[C@H]1CC[C@@H]([NH3+])CN1Cc1cccc(C(C)(C)C)c1O ZINC001235905204 819214759 /nfs/dbraw/zinc/21/47/59/819214759.db2.gz LEPVDOXYKHIXEV-GXTWGEPZSA-N 1 0 276.424 3.001 20 10 CGCDRO CN(Cc1cccc(C(C)(C)C)c1O)[C@@]1(C)CCC[NH2+]C1 ZINC001236205262 819367835 /nfs/dbraw/zinc/36/78/35/819367835.db2.gz CVQBWRBODFNEND-SFHVURJKSA-N 1 0 290.451 3.264 20 10 CGCDRO CC(C)c1ccc(CN(C)[C@]2(C)CCC[NH2+]C2)c(O)c1 ZINC001236206171 819368530 /nfs/dbraw/zinc/36/85/30/819368530.db2.gz IZOBBEPANDLCJC-QGZVFWFLSA-N 1 0 276.424 3.090 20 10 CGCDRO Oc1c(CN2CCC[C@H]([NH2+]C3CC3)C2)ccc2ccccc21 ZINC001236221301 819387977 /nfs/dbraw/zinc/38/79/77/819387977.db2.gz BXJHXQMILKONHR-KRWDZBQOSA-N 1 0 296.414 3.262 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(CN2CCC[C@@H]([NH3+])[C@@H]2C)cc1 ZINC001236417746 819463877 /nfs/dbraw/zinc/46/38/77/819463877.db2.gz CXLCIWQBIXOIOE-QFBILLFUSA-N 1 0 297.446 3.406 20 10 CGCDRO Nc1ccc(C[N@@H+]2CCOC[C@@H]2C2CCCCC2)cc1 ZINC001236433280 819476552 /nfs/dbraw/zinc/47/65/52/819476552.db2.gz GMBWNPUITAUMHX-QGZVFWFLSA-N 1 0 274.408 3.050 20 10 CGCDRO COc1cc(O)c(C[N@H+]2[C@H](C)CCC[C@@H]2C)cc1OC ZINC001236750403 819590232 /nfs/dbraw/zinc/59/02/32/819590232.db2.gz MACAGKCYABCDPS-TXEJJXNPSA-N 1 0 279.380 3.172 20 10 CGCDRO CCc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3OC)c(O)c1 ZINC001236788678 819595124 /nfs/dbraw/zinc/59/51/24/819595124.db2.gz MYICDJAMJWFHCW-UWWQBHOKSA-N 1 0 289.419 3.202 20 10 CGCDRO C[C@@]1(O)CCC[N@H+](Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236795544 819597338 /nfs/dbraw/zinc/59/73/38/819597338.db2.gz GFSSQSYTSODUCL-CYBMUJFWSA-N 1 0 290.190 3.046 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CCCC[C@H]2C)c(Cl)c1 ZINC001236803035 819602672 /nfs/dbraw/zinc/60/26/72/819602672.db2.gz LURUCBAWXKBMIU-SNVBAGLBSA-N 1 0 269.772 3.429 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CCCCC23CC3)c(O)c1 ZINC001236811680 819604855 /nfs/dbraw/zinc/60/48/55/819604855.db2.gz VZQCFFGYFPEUPB-UHFFFAOYSA-N 1 0 261.365 3.228 20 10 CGCDRO COc1cc(C)c(C[NH+]2CCC(OC(C)C)CC2)c(O)c1 ZINC001236814548 819606216 /nfs/dbraw/zinc/60/62/16/819606216.db2.gz UQYAJOFHBGUJKX-UHFFFAOYSA-N 1 0 293.407 3.099 20 10 CGCDRO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1cc2ccccc2cc1O ZINC001236832677 819611563 /nfs/dbraw/zinc/61/15/63/819611563.db2.gz KCOFLZVJEDDGHL-INIZCTEOSA-N 1 0 299.370 3.073 20 10 CGCDRO CCC[N@@H+](Cc1cc(Cl)cc(C)c1O)C[C@@H]1CC[NH2+]C1 ZINC001236842684 819618262 /nfs/dbraw/zinc/61/82/62/819618262.db2.gz HJFGNGDGQXEBGW-CYBMUJFWSA-N 1 0 296.842 3.176 20 10 CGCDRO COC[C@H]1CCC[N@@H+]1Cc1ccc(C(C)C)cc1O ZINC001237046142 819650067 /nfs/dbraw/zinc/65/00/67/819650067.db2.gz QJIFMLDUZYKVNG-OAHLLOKOSA-N 1 0 263.381 3.126 20 10 CGCDRO CCOC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(C(C)C)cc1O ZINC001237047979 819651300 /nfs/dbraw/zinc/65/13/00/819651300.db2.gz BFWYMPOBLNRXKB-HNNXBMFYSA-N 1 0 291.391 3.043 20 10 CGCDRO CC[NH+](CC)Cc1ccc(OCC(F)(F)F)cc1O ZINC001237051270 819651808 /nfs/dbraw/zinc/65/18/08/819651808.db2.gz JKCVTCRFMISJKC-UHFFFAOYSA-N 1 0 277.286 3.175 20 10 CGCDRO CC(=O)C1CC[NH+](Cc2ccc(C(C)C)cc2O)CC1 ZINC001237049182 819652108 /nfs/dbraw/zinc/65/21/08/819652108.db2.gz MDIVIJPJASJMEG-UHFFFAOYSA-N 1 0 275.392 3.317 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2CC[C@H](N(C)C3CC3)C2)c(O)c1 ZINC001237055022 819655327 /nfs/dbraw/zinc/65/53/27/819655327.db2.gz LYIVTIQVZYRQAF-KRWDZBQOSA-N 1 0 288.435 3.184 20 10 CGCDRO Oc1cccc(OC(F)(F)F)c1C[N@@H+]1CCCC12CC2 ZINC001237121042 819671336 /nfs/dbraw/zinc/67/13/36/819671336.db2.gz UDZSUGALKIZSDW-UHFFFAOYSA-N 1 0 287.281 3.419 20 10 CGCDRO C[C@H]1C[N@H+](Cc2cc(C(F)(F)F)ccc2O)CCCO1 ZINC001237135031 819675089 /nfs/dbraw/zinc/67/50/89/819675089.db2.gz FONTZVCNFBVTHW-JTQLQIEISA-N 1 0 289.297 3.022 20 10 CGCDRO Cc1cccc(O)c1C[N@H+]1C[C@@H]2CC(F)(F)C[C@@H]2C1 ZINC001237484904 819762260 /nfs/dbraw/zinc/76/22/60/819762260.db2.gz JUZGWZAMIKNMKS-TXEJJXNPSA-N 1 0 267.319 3.178 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCc2cc(F)ccc2C1 ZINC001237491205 819764084 /nfs/dbraw/zinc/76/40/84/819764084.db2.gz IVMFSYLBOOCVQN-UHFFFAOYSA-N 1 0 271.335 3.398 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC001237489829 819764818 /nfs/dbraw/zinc/76/48/18/819764818.db2.gz LGPUOKRRAHVHSC-HNNXBMFYSA-N 1 0 282.387 3.475 20 10 CGCDRO [O-]c1c(F)cc(Cl)cc1C[NH+]1CC2CC(C2)C1 ZINC001237623374 819788970 /nfs/dbraw/zinc/78/89/70/819788970.db2.gz MIEVFCDSKANIIJ-UHFFFAOYSA-N 1 0 255.720 3.027 20 10 CGCDRO Oc1ccc(-c2ccc(F)cc2)cc1CN1CCO[C@@H]2C[C@@H]21 ZINC001237648800 819796757 /nfs/dbraw/zinc/79/67/57/819796757.db2.gz HAOSWHHCPKREEY-FUHWJXTLSA-N 1 0 299.345 3.171 20 10 CGCDRO COc1cc(C[N@@H+]2CCCC[C@@H](C)C2)c(O)c(OC)c1 ZINC001237675106 819803619 /nfs/dbraw/zinc/80/36/19/819803619.db2.gz UCLMCAGXEIBDCT-GFCCVEGCSA-N 1 0 279.380 3.031 20 10 CGCDRO Cc1cc(Cl)cc(C[N@H+]2CC[C@H](C)[C@@](C)(O)CC2)c1O ZINC001237681364 819805704 /nfs/dbraw/zinc/80/57/04/819805704.db2.gz NIFBZTXSYUDYKZ-LRDDRELGSA-N 1 0 297.826 3.337 20 10 CGCDRO CC(C)Oc1ccc(-c2[nH+]ccc3c2ccn3C)cn1 ZINC001240808005 821349394 /nfs/dbraw/zinc/34/93/94/821349394.db2.gz KEGPUZACOQTGOA-UHFFFAOYSA-N 1 0 267.332 3.423 20 10 CGCDRO Cn1ccc2c1cc[nH+]c2-c1ccc(OCC2CC2)nc1 ZINC001242212966 822912139 /nfs/dbraw/zinc/91/21/39/822912139.db2.gz XVUINOJRHPRMQN-UHFFFAOYSA-N 1 0 279.343 3.424 20 10 CGCDRO CO[C@@H]1CC[C@H]([NH2+][C@H](C)c2c(C)cc(C)cc2O)C1 ZINC001340609016 936409083 /nfs/dbraw/zinc/40/90/83/936409083.db2.gz BUBVWZJINBHALD-HZSPNIEDSA-N 1 0 263.381 3.227 20 10 CGCDRO COc1ccc(C)cc1[C@H](C)[NH2+]Cc1ccc(N)cc1 ZINC001345159347 936804871 /nfs/dbraw/zinc/80/48/71/936804871.db2.gz GUNQZFSQMYXYNO-ZDUSSCGKSA-N 1 0 270.376 3.437 20 10 CGCDRO CC[C@@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)[C@H](C)CO1 ZINC001349536128 936951648 /nfs/dbraw/zinc/95/16/48/936951648.db2.gz UQGLPTGBXBRNTG-CRAIPNDOSA-N 1 0 288.435 3.286 20 10 CGCDRO CN(C)c1cc(F)c(C[NH2+]C23CCC(CC2)C3)cc1F ZINC001351508022 937018506 /nfs/dbraw/zinc/01/85/06/937018506.db2.gz OROMCIAWIZYKDN-UHFFFAOYSA-N 1 0 280.362 3.453 20 10 CGCDRO COc1ccc(C[NH2+]C[C@@H]2CCC[C@H](C)C2)c(O)c1OC ZINC001355240177 937131951 /nfs/dbraw/zinc/13/19/51/937131951.db2.gz YTDOXWQTCYWIES-QWHCGFSZSA-N 1 0 293.407 3.325 20 10 CGCDRO COC[C@@]1(C)CC[N@H+](Cc2cc(C(C)C)ccc2O)C1 ZINC001560846060 937238298 /nfs/dbraw/zinc/23/82/98/937238298.db2.gz XZXXSFIAZUCMID-KRWDZBQOSA-N 1 0 277.408 3.374 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@](C)(CO)C(C)C)cc1C ZINC001474137503 937841694 /nfs/dbraw/zinc/84/16/94/937841694.db2.gz GGWXLKLITNRCHC-QGZVFWFLSA-N 1 0 279.424 3.280 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C/C=C/C2CC2)c(Cl)c1 ZINC001474156317 937842114 /nfs/dbraw/zinc/84/21/14/937842114.db2.gz ZLVSLWSCMYAETB-NSCUHMNNSA-N 1 0 251.757 3.410 20 10 CGCDRO COc1ccc(C[N@H+](Cc2ccc(N)cc2)C2CC2)cc1 ZINC000035366079 931951457 /nfs/dbraw/zinc/95/14/57/931951457.db2.gz KTNOPWFBUGJYAH-UHFFFAOYSA-N 1 0 282.387 3.442 20 10 CGCDRO CCO[C@H]1CCC[N@H+](Cc2c(C)ccc(C)c2O)C1 ZINC001140179127 931956803 /nfs/dbraw/zinc/95/68/03/931956803.db2.gz HGEHSJMNGORDLC-AWEZNQCLSA-N 1 0 263.381 3.010 20 10 CGCDRO Cc1ccc(C)c(C[N@@H+]2CCc3cc(CO)ccc3C2)c1O ZINC001140178766 931956926 /nfs/dbraw/zinc/95/69/26/931956926.db2.gz WXNLKXZPFDZGHF-UHFFFAOYSA-N 1 0 297.398 3.060 20 10 CGCDRO COc1ccc(C[NH2+]CC2(C)CCC2)cc1Cn1cccn1 ZINC001461267392 937573360 /nfs/dbraw/zinc/57/33/60/937573360.db2.gz KMKBBYGIYOSCJK-UHFFFAOYSA-N 1 0 299.418 3.220 20 10 CGCDRO CC1(C)CCC[C@](CO)([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC001461643608 937589863 /nfs/dbraw/zinc/58/98/63/937589863.db2.gz ZRQZPKCOESZNJM-SFHVURJKSA-N 1 0 289.419 3.042 20 10 CGCDRO COC[C@@H](CC(C)(C)C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC001461604395 937588280 /nfs/dbraw/zinc/58/82/80/937588280.db2.gz OJJXNTPXHQDWQP-CQSZACIVSA-N 1 0 296.430 3.433 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H]32)cc1F ZINC001461811208 937598845 /nfs/dbraw/zinc/59/88/45/937598845.db2.gz NHXUNQKPXQIIJE-VNHYZAJKSA-N 1 0 262.372 3.170 20 10 CGCDRO CC[C@H](C)[C@H](C[N@H+](C)Cc1ccc(N(C)C)cc1)OC ZINC001461838650 937600868 /nfs/dbraw/zinc/60/08/68/937600868.db2.gz OPVAOJXUQMMKLY-YOEHRIQHSA-N 1 0 278.440 3.246 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCNC3=CCCC[C@H]32)cc1 ZINC001237219705 932692794 /nfs/dbraw/zinc/69/27/94/932692794.db2.gz NWDQFFXIASWXEU-LJQANCHMSA-N 1 0 299.462 3.374 20 10 CGCDRO CC[C@@H]1COC(C)(C)C[N@@H+]1Cc1ccc(N(C)C)cc1C ZINC001462415050 937639495 /nfs/dbraw/zinc/63/94/95/937639495.db2.gz NVJPGJCURBLYFK-MRXNPFEDSA-N 1 0 290.451 3.450 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+][C@@H](C)[C@@H]2CCCOC2)c1 ZINC001308634387 933147208 /nfs/dbraw/zinc/14/72/08/933147208.db2.gz FPISCDPZLBFCPH-DZGCQCFKSA-N 1 0 277.408 3.420 20 10 CGCDRO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(N(C)C)cc1C ZINC001308660501 933152439 /nfs/dbraw/zinc/15/24/39/933152439.db2.gz QBBZMVPCRJPOGP-ZBFHGGJFSA-N 1 0 276.424 3.060 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H]2C[C@@H](OC(C)C)C2(C)C)c(O)c1 ZINC001308671136 933153580 /nfs/dbraw/zinc/15/35/80/933153580.db2.gz ZZLPLOBJFQXCTQ-HZPDHXFCSA-N 1 0 277.408 3.382 20 10 CGCDRO CCOC(=O)C[C@@](C)([NH2+]Cc1ccc(C)cc1O)C(C)C ZINC001308708522 933163341 /nfs/dbraw/zinc/16/33/41/933163341.db2.gz DYMARIUATIUALS-QGZVFWFLSA-N 1 0 293.407 3.158 20 10 CGCDRO COc1cc(O)c(C[N@H+](C)[C@H]2CCCC[C@@H]2C)cc1OC ZINC001308755616 933171502 /nfs/dbraw/zinc/17/15/02/933171502.db2.gz UXCGMNLYNOZZBG-JSGCOSHPSA-N 1 0 293.407 3.420 20 10 CGCDRO CCC(CC)(C[NH2+]Cc1ccc(N(C)C)cc1C)OC ZINC001308791832 933177922 /nfs/dbraw/zinc/17/79/22/933177922.db2.gz LAOIXAOYPPWAAL-UHFFFAOYSA-N 1 0 278.440 3.356 20 10 CGCDRO CC[C@H]1COC(C)(C)C[N@@H+]1Cc1ccc(C)cc1O ZINC001308852592 933190424 /nfs/dbraw/zinc/19/04/24/933190424.db2.gz QKCYDJRVHPCKTA-AWEZNQCLSA-N 1 0 263.381 3.090 20 10 CGCDRO C[C@@]1(C2CC2)CN(Cc2ccc(Cl)cc2O)CCO1 ZINC001308858372 933191482 /nfs/dbraw/zinc/19/14/82/933191482.db2.gz UVKUXSBQEKGZBF-HNNXBMFYSA-N 1 0 281.783 3.047 20 10 CGCDRO CC[C@H](C[C@@H](C)CO)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001322145110 934252241 /nfs/dbraw/zinc/25/22/41/934252241.db2.gz RGTILYHWMROQET-NVXWUHKLSA-N 1 0 290.451 3.174 20 10 CGCDRO COc1ccc(N2CC[NH+](CCCC(C)C)CC2)cc1F ZINC001473269547 937800059 /nfs/dbraw/zinc/80/00/59/937800059.db2.gz OQKQCRJBLJSKQO-UHFFFAOYSA-N 1 0 294.414 3.393 20 10 CGCDRO COc1ccc(N(CC[C@H]2CCCO2)CC2CC2)cc1 ZINC001473485590 937808534 /nfs/dbraw/zinc/80/85/34/937808534.db2.gz KZZZNFOZURWZBY-QGZVFWFLSA-N 1 0 275.392 3.481 20 10 CGCDRO C[C@@H](O)[C@H](C)[NH2+]Cc1ccc(N(C)C2CCCCC2)cc1 ZINC001326584471 934991942 /nfs/dbraw/zinc/99/19/42/934991942.db2.gz NZIGFZTYGRLBKI-LSDHHAIUSA-N 1 0 290.451 3.314 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)c1 ZINC001327604960 935073590 /nfs/dbraw/zinc/07/35/90/935073590.db2.gz DLMLEQBSGWCORG-PJQZNRQZSA-N 1 0 297.345 3.485 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CC[C@H](C)O2)cc1Cl ZINC001327823737 935087374 /nfs/dbraw/zinc/08/73/74/935087374.db2.gz IZUZZWVCDQJOIF-CMPLNLGQSA-N 1 0 269.772 3.011 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]Cc1cccn1C1CC1 ZINC001328707398 935162076 /nfs/dbraw/zinc/16/20/76/935162076.db2.gz AUBSOTPLFOHIKR-UHFFFAOYSA-N 1 0 276.767 3.472 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+]C/C=C\C2CC2)cc1 ZINC001330721768 935316959 /nfs/dbraw/zinc/31/69/59/935316959.db2.gz RBRZYIYLXWWCPO-GLIMQPGKSA-N 1 0 256.393 3.322 20 10 CGCDRO Cc1ccc(C[N@H+](C)Cc2cc(C(C)(C)C)n[nH]2)c(O)c1 ZINC001331729663 935406836 /nfs/dbraw/zinc/40/68/36/935406836.db2.gz YIEFJJHCMDSYQS-UHFFFAOYSA-N 1 0 287.407 3.353 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H](CN)C1CCCC1 ZINC001331835093 935412978 /nfs/dbraw/zinc/41/29/78/935412978.db2.gz PRIOESUIAHGDTH-VHDGCEQUSA-N 1 0 288.435 3.356 20 10 CGCDRO Oc1ccc2ccncc2c1C[N@@H+]1CCC[C@H](CF)C1 ZINC001332136980 935443221 /nfs/dbraw/zinc/44/32/21/935443221.db2.gz UREYIDVJGYANTG-GFCCVEGCSA-N 1 0 274.339 3.122 20 10 CGCDRO CCS[C@@H]1CC[C@H]([N@H+](C)Cc2ccc(N)cc2)C1 ZINC001334774277 936112855 /nfs/dbraw/zinc/11/28/55/936112855.db2.gz HRGYGCVPBHSAMJ-LSDHHAIUSA-N 1 0 264.438 3.375 20 10 CGCDRO COc1ccc(C[NH2+]C2CCC3(CC3)CC2)c(O)c1OC ZINC001335002473 936125521 /nfs/dbraw/zinc/12/55/21/936125521.db2.gz ZALFMPACADJLDV-UHFFFAOYSA-N 1 0 291.391 3.222 20 10 CGCDRO CCOCc1cc(C[NH2+]CCCC(F)F)ccc1OC ZINC001335016376 936126031 /nfs/dbraw/zinc/12/60/31/936126031.db2.gz KNVMQSFQXMIGNY-UHFFFAOYSA-N 1 0 287.350 3.367 20 10 CGCDRO Nc1ccc(C[NH+]2CCC(c3ccc(O)cc3)CC2)cc1 ZINC001336116953 936175942 /nfs/dbraw/zinc/17/59/42/936175942.db2.gz ISZLHOOFCZNJBO-UHFFFAOYSA-N 1 0 282.387 3.354 20 10 CGCDRO CCC[C@]1(COC)CCC[N@@H+]1Cc1ccc(N)cc1 ZINC001336287003 936186185 /nfs/dbraw/zinc/18/61/85/936186185.db2.gz VRSMPCBTSCBZQH-MRXNPFEDSA-N 1 0 262.397 3.050 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@@H](CC)COC)cc1C ZINC001474020253 937836014 /nfs/dbraw/zinc/83/60/14/937836014.db2.gz QMWTYJVJXFPUKV-HNNXBMFYSA-N 1 0 265.397 3.298 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+][C@H]3CCC[C@@H](C)C3)C2)cc1 ZINC001474206054 937844060 /nfs/dbraw/zinc/84/40/60/937844060.db2.gz SXZICYQEOGUYFS-PMPSAXMXSA-N 1 0 288.435 3.442 20 10 CGCDRO CC1(C)CC[C@H](C[NH2+]Cc2ccc(Cl)cc2O)O1 ZINC001474460943 937860724 /nfs/dbraw/zinc/86/07/24/937860724.db2.gz JLDDILWCHOCJBR-GFCCVEGCSA-N 1 0 269.772 3.093 20 10 CGCDRO CCC(CC)C[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC001559642552 938231803 /nfs/dbraw/zinc/23/18/03/938231803.db2.gz TZBVTIXGRQMSQV-UHFFFAOYSA-N 1 0 294.414 3.393 20 10 CGCDRO CO[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC001560065255 938243044 /nfs/dbraw/zinc/24/30/44/938243044.db2.gz INTMISGCWUKFBJ-ZBFHGGJFSA-N 1 0 276.424 3.060 20 10 CGCDRO COC(=O)c1cccc(C[NH2+][C@H](C)c2ccccc2O)c1 ZINC001560074867 938243220 /nfs/dbraw/zinc/24/32/20/938243220.db2.gz JEEFQBRJLHEMKX-GFCCVEGCSA-N 1 0 285.343 3.030 20 10 CGCDRO CCO[C@@H](CC[NH2+]Cc1ccc2c(c1)CCO2)C(C)C ZINC001560366773 938255462 /nfs/dbraw/zinc/25/54/62/938255462.db2.gz PGVJQFVOODVZRG-INIZCTEOSA-N 1 0 277.408 3.162 20 10 CGCDRO COc1ccc(C[NH2+]C[C@]2(C)CCCC[C@@H]2O)cc1C ZINC001560369470 938255935 /nfs/dbraw/zinc/25/59/35/938255935.db2.gz YEONGLKSKUDANJ-IRXDYDNUSA-N 1 0 277.408 3.034 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2CCO[C@@H](C3CC3)C2)cc1C ZINC001560432753 938258254 /nfs/dbraw/zinc/25/82/54/938258254.db2.gz MCAOPHPFVQYQDU-DOTOQJQBSA-N 1 0 275.392 3.051 20 10 CGCDRO COC1(C[NH2+]Cc2ccc3c(c2)CCCO3)CCCC1 ZINC001560489069 938260196 /nfs/dbraw/zinc/26/01/96/938260196.db2.gz WXRYBELRLSRKIS-UHFFFAOYSA-N 1 0 275.392 3.060 20 10 CGCDRO CC[C@H]([NH2+]Cc1c(C)c2ccccc2n1C)[C@H](O)C(C)C ZINC001560506016 938260984 /nfs/dbraw/zinc/26/09/84/938260984.db2.gz OICXBWONBCFNLR-MAUKXSAKSA-N 1 0 288.435 3.372 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2C[C@H](C)O[C@H]2C)cc1F ZINC001560557364 938262977 /nfs/dbraw/zinc/26/29/77/938262977.db2.gz KZILAHSEUPYYJF-HEHGZKQESA-N 1 0 294.414 3.327 20 10 CGCDRO C[N@H+](CCOC(C)(C)C)Cc1ccc(Cl)cc1O ZINC001560633402 938266893 /nfs/dbraw/zinc/26/68/93/938266893.db2.gz UQLSKPXDFZQHQI-UHFFFAOYSA-N 1 0 271.788 3.293 20 10 CGCDRO CC(C)OC(=O)[C@H](C)N(C)Cc1cc(C(C)C)ccc1O ZINC001560666243 938268755 /nfs/dbraw/zinc/26/87/55/938268755.db2.gz AUEGUTHEBGXVHT-ZDUSSCGKSA-N 1 0 293.407 3.288 20 10 CGCDRO CC[NH+](CC)[C@H]1CCN(Cc2c(O)cc(C)cc2Cl)C1 ZINC001560729740 938272610 /nfs/dbraw/zinc/27/26/10/938272610.db2.gz RVPONZRXSLDBER-ZDUSSCGKSA-N 1 0 296.842 3.270 20 10 CGCDRO COc1cccc(C[NH2+][C@H]2CC[C@@H]3CCC[C@@H]32)c1O ZINC001560810874 938277098 /nfs/dbraw/zinc/27/70/98/938277098.db2.gz PHSJEZPXHXNMJU-UBHSHLNASA-N 1 0 261.365 3.069 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH+]2CCC(C(C)(C)O)CC2)c1 ZINC001560971200 938287106 /nfs/dbraw/zinc/28/71/06/938287106.db2.gz WDMPEWNPKXIWPZ-UHFFFAOYSA-N 1 0 291.435 3.499 20 10 CGCDRO COc1cc(O)c(C[NH2+][C@H]2CCC[C@H](C)CC2)cc1OC ZINC000191174212 958808424 /nfs/dbraw/zinc/80/84/24/958808424.db2.gz FNXOXOLVGCBZDB-JSGCOSHPSA-N 1 0 293.407 3.468 20 10 CGCDRO Nc1ccc(C[NH2+][C@@H]2CCCN(c3cccc(F)c3)C2)cc1 ZINC001580445384 962724905 /nfs/dbraw/zinc/72/49/05/962724905.db2.gz AZNZZWBRIRSXAG-QGZVFWFLSA-N 1 0 299.393 3.167 20 10 CGCDRO O=C(/C=C/[C@H]1CCC[NH2+]C1)N1CCCCCc2ccccc21 ZINC001580491936 962730542 /nfs/dbraw/zinc/73/05/42/962730542.db2.gz VZTGFLFWQMDVKY-LPQFERQCSA-N 1 0 298.430 3.302 20 10 CGCDRO CCN(CC)c1ccc(C[NH+]2CCC([C@@H](C)O)CC2)cc1 ZINC000092970880 345865356 /nfs/dbraw/zinc/86/53/56/345865356.db2.gz KWISJCHBSYMXSM-OAHLLOKOSA-N 1 0 290.451 3.126 20 10 CGCDRO Cc1ccc(O)c(C[N@H+](CCCO)Cc2ccccc2)c1 ZINC000093102192 345868838 /nfs/dbraw/zinc/86/88/38/345868838.db2.gz VUIOKQQBSOYYRR-UHFFFAOYSA-N 1 0 285.387 3.085 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCc2csc(C)n2)c1 ZINC000223739434 346301543 /nfs/dbraw/zinc/30/15/43/346301543.db2.gz MVOJIDXDDJRTPO-JTQLQIEISA-N 1 0 292.404 3.059 20 10 CGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1COC(C)(C)C1 ZINC000396511917 346581673 /nfs/dbraw/zinc/58/16/73/346581673.db2.gz PXIWVCOFUOJDTM-ZDUSSCGKSA-N 1 0 272.392 3.144 20 10 CGCDRO CC[C@@H]([NH2+]CCc1cscn1)c1ccccc1O ZINC000104433688 186000736 /nfs/dbraw/zinc/00/07/36/186000736.db2.gz PLQJLWPTWIZDLX-CYBMUJFWSA-N 1 0 262.378 3.132 20 10 CGCDRO C[C@H]([NH2+]CCC(C)(C)CO)c1cc(Cl)ccc1O ZINC000295861576 299287514 /nfs/dbraw/zinc/28/75/14/299287514.db2.gz BOLKIZUHTGKXFW-JTQLQIEISA-N 1 0 271.788 3.105 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCc2ccccc2F)c1 ZINC000019912752 368781300 /nfs/dbraw/zinc/78/13/00/368781300.db2.gz XMTXKAORJOITOB-GFCCVEGCSA-N 1 0 289.350 3.433 20 10 CGCDRO CC[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000034840201 368979317 /nfs/dbraw/zinc/97/93/17/368979317.db2.gz COAHJEGCRZMELN-LBPRGKRZSA-N 1 0 250.361 3.487 20 10 CGCDRO C[C@@H]([NH2+]C[C@@]1(C)CCCS1)c1cc(F)ccc1O ZINC000134053281 371299686 /nfs/dbraw/zinc/29/96/86/371299686.db2.gz XSAJUOMSVAXDRE-QMTHXVAHSA-N 1 0 269.385 3.468 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCCn2ccnc2)cc1 ZINC000151118583 371571588 /nfs/dbraw/zinc/57/15/88/371571588.db2.gz LHWMIBFYWVUQDZ-HNNXBMFYSA-N 1 0 286.423 3.080 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1CCCSC1)c1ccccc1O ZINC000287069552 371598038 /nfs/dbraw/zinc/59/80/38/371598038.db2.gz NYJJEMNSQRTYGP-NEPJUHHUSA-N 1 0 251.395 3.186 20 10 CGCDRO C[C@@H]([NH2+]CCc1cnn(C)c1)c1ccc2ccccc2c1O ZINC000159745525 372176069 /nfs/dbraw/zinc/17/60/69/372176069.db2.gz PSUOKCPZKQXQMB-CYBMUJFWSA-N 1 0 295.386 3.172 20 10 CGCDRO COc1ccncc1C[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000293990218 372547979 /nfs/dbraw/zinc/54/79/79/372547979.db2.gz BYWDYRZVLDHQLR-ZDUSSCGKSA-N 1 0 286.375 3.263 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CCOC[C@@H]2C)c(O)c1 ZINC000294101737 372581256 /nfs/dbraw/zinc/58/12/56/372581256.db2.gz JLLZXNVQAOHVHL-KKUMJFAQSA-N 1 0 277.408 3.332 20 10 CGCDRO Cc1cc(C[N@@H+]2CCC[C@H]2c2cc[nH]n2)ccc1N(C)C ZINC000294108723 372582806 /nfs/dbraw/zinc/58/28/06/372582806.db2.gz MUKNRVHAPCEBSH-KRWDZBQOSA-N 1 0 284.407 3.121 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C2CCSCC2)c1 ZINC000168830712 372621573 /nfs/dbraw/zinc/62/15/73/372621573.db2.gz OVNOHQARUCQVIY-LLVKDONJSA-N 1 0 251.395 3.247 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCSC2)c(O)c1 ZINC000168816875 372621908 /nfs/dbraw/zinc/62/19/08/372621908.db2.gz XOLCNLVHPIUVRI-VXGBXAGGSA-N 1 0 251.395 3.247 20 10 CGCDRO CCn1cc([C@H](C)[NH2+]Cc2cc(C)c(C)cc2O)cn1 ZINC000294773210 372670248 /nfs/dbraw/zinc/67/02/48/372670248.db2.gz GDKYHQLWEGAXBH-ZDUSSCGKSA-N 1 0 273.380 3.076 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCNc2ccccn2)c(O)c1 ZINC000294752183 372670522 /nfs/dbraw/zinc/67/05/22/372670522.db2.gz MBGPCPWNQGUVSO-AWEZNQCLSA-N 1 0 285.391 3.167 20 10 CGCDRO CC[C@H]([NH2+]CCc1nccnc1C)c1ccc(C)cc1O ZINC000294854504 372674949 /nfs/dbraw/zinc/67/49/49/372674949.db2.gz BOJMMYDFPHZQRM-HNNXBMFYSA-N 1 0 285.391 3.082 20 10 CGCDRO Cc1cccnc1CCC[NH2+]Cc1c(O)cccc1Cl ZINC000295053113 372688482 /nfs/dbraw/zinc/68/84/82/372688482.db2.gz PRMILRNKTACPTK-UHFFFAOYSA-N 1 0 290.794 3.471 20 10 CGCDRO CC(C)(C[NH2+]Cc1ccc2c(c1)CCO2)c1ccccn1 ZINC000295121685 372694850 /nfs/dbraw/zinc/69/48/50/372694850.db2.gz NHXKBXNZFVKZMS-UHFFFAOYSA-N 1 0 282.387 3.084 20 10 CGCDRO COc1cccc(C[NH2+]C[C@@H]2CCCCC2(F)F)c1O ZINC000295121710 372694891 /nfs/dbraw/zinc/69/48/91/372694891.db2.gz NIPJYSIMUFYPBJ-LBPRGKRZSA-N 1 0 285.334 3.316 20 10 CGCDRO CC[C@@H]([NH2+]CCc1ncccc1C)c1ccccc1O ZINC000295140517 372696023 /nfs/dbraw/zinc/69/60/23/372696023.db2.gz ZRJWUPITLYGCNE-OAHLLOKOSA-N 1 0 270.376 3.379 20 10 CGCDRO CC(=O)Nc1cccc(C[NH2+][C@@H]2CCc3cccc(O)c32)c1 ZINC000295774006 372905206 /nfs/dbraw/zinc/90/52/06/372905206.db2.gz ANLRZXSSHSGIJX-MRXNPFEDSA-N 1 0 296.370 3.128 20 10 CGCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H]1C=CCCC1 ZINC000172188584 372922543 /nfs/dbraw/zinc/92/25/43/372922543.db2.gz YONRQVOTSQBVGM-QGZVFWFLSA-N 1 0 286.419 3.064 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CCC(C)(F)F)cc1F ZINC000295936389 372963546 /nfs/dbraw/zinc/96/35/46/372963546.db2.gz FZZAGWDQSFSFDU-UHFFFAOYSA-N 1 0 260.303 3.027 20 10 CGCDRO C[C@@H](O)c1ccc(C[NH2+][C@H]2CCc3cccc(O)c32)cc1 ZINC000295954810 372973402 /nfs/dbraw/zinc/97/34/02/372973402.db2.gz LRTCFQPHOBXHIP-WBMJQRKESA-N 1 0 283.371 3.223 20 10 CGCDRO Cc1cc(C[N@@H+]2CC[C@H](O)CC(C)(C)C2)ccc1N(C)C ZINC000296179989 373045163 /nfs/dbraw/zinc/04/51/63/373045163.db2.gz UKFARLMZQUAWCT-INIZCTEOSA-N 1 0 290.451 3.044 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](CC)c1ccc(C)cc1O)[C@@H](O)C(F)F ZINC000296484099 373150842 /nfs/dbraw/zinc/15/08/42/373150842.db2.gz OJVFJDCUOUCDKF-OUCADQQQSA-N 1 0 287.350 3.146 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCC(C)(C)CO)c(O)c1 ZINC000296530874 373165427 /nfs/dbraw/zinc/16/54/27/373165427.db2.gz QKEPDFKPPDKXOA-CYBMUJFWSA-N 1 0 265.397 3.068 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)CCCO)c(O)c1C ZINC000296462327 373143360 /nfs/dbraw/zinc/14/33/60/373143360.db2.gz NIHPMMAQFIIFNO-SMDDNHRTSA-N 1 0 265.397 3.068 20 10 CGCDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2CCc3cccc(O)c32)c1 ZINC000296633934 373201828 /nfs/dbraw/zinc/20/18/28/373201828.db2.gz CKXKNSBOUQHUQX-OAHLLOKOSA-N 1 0 298.342 3.120 20 10 CGCDRO COc1cccc(C[N@H+](C)Cc2ccccc2F)c1O ZINC000179607416 373893390 /nfs/dbraw/zinc/89/33/90/373893390.db2.gz FWSAMJKXBVKCHI-UHFFFAOYSA-N 1 0 275.323 3.172 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H]2CC(C)(C)OC2(C)C)c1 ZINC000180369675 373994954 /nfs/dbraw/zinc/99/49/54/373994954.db2.gz MOHJUERZBJFVRF-AWEZNQCLSA-N 1 0 263.381 3.136 20 10 CGCDRO Cc1cccc(C[NH+]2CCN(c3cccs3)CC2)c1O ZINC000180485259 374014780 /nfs/dbraw/zinc/01/47/80/374014780.db2.gz JQMLDLGTVYIGRO-UHFFFAOYSA-N 1 0 288.416 3.084 20 10 CGCDRO COc1cccc(C[N@H+](C)C[C@@H](C)c2nccs2)c1O ZINC000183262562 374392769 /nfs/dbraw/zinc/39/27/69/374392769.db2.gz MZIKTHRYZIWOEF-LLVKDONJSA-N 1 0 292.404 3.093 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)[C@H](O)c1ccc(F)cc1)c1ccccc1O ZINC000183516601 374423033 /nfs/dbraw/zinc/42/30/33/374423033.db2.gz XFZQGIHGPMNQRC-PEBVRCNWSA-N 1 0 289.350 3.304 20 10 CGCDRO COC[C@@H]([NH2+][C@H](C)c1ccccc1O)c1ccc(C)o1 ZINC000183541196 374426274 /nfs/dbraw/zinc/42/62/74/374426274.db2.gz GHVWDBGPPDMZDM-TZMCWYRMSA-N 1 0 275.348 3.332 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2cccc(CO)c2)c1 ZINC000185373002 374650545 /nfs/dbraw/zinc/65/05/45/374650545.db2.gz WLGBPJDBAWVLGT-ZDUSSCGKSA-N 1 0 271.360 3.044 20 10 CGCDRO CCSc1cc(C[NH2+]Cc2ccccc2O)ccn1 ZINC000189584526 375418347 /nfs/dbraw/zinc/41/83/47/375418347.db2.gz LNNAMWZQJDQQRL-UHFFFAOYSA-N 1 0 274.389 3.189 20 10 CGCDRO CO[C@H](C)[C@H](C)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000191644330 375647641 /nfs/dbraw/zinc/64/76/41/375647641.db2.gz DWTGPLRIPKOTSY-RWMBFGLXSA-N 1 0 277.408 3.345 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCOC[C@@H]2C)cc1F ZINC000191758045 375659157 /nfs/dbraw/zinc/65/91/57/375659157.db2.gz YAJUORRQQKNFRV-BBRMVZONSA-N 1 0 294.414 3.187 20 10 CGCDRO Cc1cccc(C[C@@H](CO)[NH2+][C@@H](C)c2ccc(C)cc2O)c1 ZINC000191596207 375642649 /nfs/dbraw/zinc/64/26/49/375642649.db2.gz BAXWUCXAYLZAAV-RDJZCZTQSA-N 1 0 299.414 3.263 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccccc1-n1cccn1)c1ccccc1O ZINC000194373949 375993765 /nfs/dbraw/zinc/99/37/65/375993765.db2.gz CTVAJRWZFUUHKN-CQSZACIVSA-N 1 0 293.370 3.429 20 10 CGCDRO Cc1nc(CC[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cs1 ZINC000221951376 376225556 /nfs/dbraw/zinc/22/55/56/376225556.db2.gz POYWFLSNXKJQHL-LBPRGKRZSA-N 1 0 289.448 3.411 20 10 CGCDRO C[C@@H](CCc1ccco1)[NH2+]Cc1cc(F)ccc1O ZINC000226582017 376364869 /nfs/dbraw/zinc/36/48/69/376364869.db2.gz PMQABFCGHVHSIF-NSHDSACASA-N 1 0 263.312 3.235 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2cccc(CO)c2)cc1 ZINC000268873408 378138232 /nfs/dbraw/zinc/13/82/32/378138232.db2.gz KWPNZHQPGVUOPV-HNNXBMFYSA-N 1 0 298.430 3.486 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2cn[nH]c2)cc1F ZINC000270234276 378325881 /nfs/dbraw/zinc/32/58/81/378325881.db2.gz RCKNYXVYLDNCNO-LBPRGKRZSA-N 1 0 290.386 3.246 20 10 CGCDRO Oc1cccc(Cl)c1C[N@@H+]1CCCC2(CCOCC2)C1 ZINC000271180068 378472351 /nfs/dbraw/zinc/47/23/51/378472351.db2.gz KYSBNZCDAUFUQK-UHFFFAOYSA-N 1 0 295.810 3.438 20 10 CGCDRO CC1(O)CC[NH+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000271156435 378464196 /nfs/dbraw/zinc/46/41/96/378464196.db2.gz BSQNFFKEXOMJHL-UHFFFAOYSA-N 1 0 297.398 3.406 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](COC)C2)cc1F ZINC000271199750 378482108 /nfs/dbraw/zinc/48/21/08/378482108.db2.gz SSDBXWDATAKFFO-OAHLLOKOSA-N 1 0 294.414 3.140 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2cnn(CC)c2)cc1 ZINC000271449065 378492755 /nfs/dbraw/zinc/49/27/55/378492755.db2.gz FKPBMSBJTXZDKU-CQSZACIVSA-N 1 0 286.423 3.210 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCO[C@H](C(C)C)C2)cc1C ZINC000271498670 378495179 /nfs/dbraw/zinc/49/51/79/378495179.db2.gz KFVITIMFLPEOHI-WBVHZDCISA-N 1 0 277.408 3.302 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000271478506 378496068 /nfs/dbraw/zinc/49/60/68/378496068.db2.gz DCBMDCAZYGJCPV-QLFBSQMISA-N 1 0 276.424 3.218 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCC[C@@H](C)CO)cc1 ZINC000271595003 378499372 /nfs/dbraw/zinc/49/93/72/378499372.db2.gz YUSFWYIPSZFZII-CABCVRRESA-N 1 0 278.440 3.202 20 10 CGCDRO C[C@@H](CCO)C1(C[NH2+]Cc2c(O)cccc2Cl)CCC1 ZINC000271873929 378509621 /nfs/dbraw/zinc/50/96/21/378509621.db2.gz YNXHXXVINDCNHH-LBPRGKRZSA-N 1 0 297.826 3.324 20 10 CGCDRO Cc1cccc(C[N@H+](CCO)[C@@H]2CCc3ccccc32)c1O ZINC000271873367 378510600 /nfs/dbraw/zinc/51/06/00/378510600.db2.gz SQBZZBQVSBZCFT-GOSISDBHSA-N 1 0 297.398 3.182 20 10 CGCDRO COCC[C@@H]([NH2+]Cc1ccc(OC)c(C)c1)c1ccco1 ZINC000272420188 378633379 /nfs/dbraw/zinc/63/33/79/378633379.db2.gz DEXVJRXWRSRPHV-OAHLLOKOSA-N 1 0 289.375 3.464 20 10 CGCDRO COCC[C@H]([NH2+]Cc1cccc(C)c1O)c1ccco1 ZINC000272562760 378667539 /nfs/dbraw/zinc/66/75/39/378667539.db2.gz UKBDCCJLHYNPMD-AWEZNQCLSA-N 1 0 275.348 3.161 20 10 CGCDRO CCN1CCC([NH2+][C@@H](C)c2cc(Cl)ccc2O)CC1 ZINC000273369870 378742244 /nfs/dbraw/zinc/74/22/44/378742244.db2.gz FURZWTXWLVUHOT-NSHDSACASA-N 1 0 282.815 3.181 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1CCCCO1)c1cc(Cl)ccc1O ZINC000273403489 378744404 /nfs/dbraw/zinc/74/44/04/378744404.db2.gz NSTJRYGKSIBKCE-CMPLNLGQSA-N 1 0 269.772 3.265 20 10 CGCDRO C[C@H]([NH2+]CCNc1ccccn1)c1cc(Cl)ccc1O ZINC000273467956 378747250 /nfs/dbraw/zinc/74/72/50/378747250.db2.gz FDVOVPRBVBJDAA-NSHDSACASA-N 1 0 291.782 3.203 20 10 CGCDRO C[C@H]([NH2+]CC(C)(C)CCCO)c1cc(Cl)ccc1O ZINC000273466545 378748933 /nfs/dbraw/zinc/74/89/33/378748933.db2.gz IZPBKJANHJKTSX-NSHDSACASA-N 1 0 285.815 3.495 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cn[nH]c2)c(O)c1C ZINC000273508644 378750789 /nfs/dbraw/zinc/75/07/89/378750789.db2.gz RHTZOULEXBSDBF-VXGBXAGGSA-N 1 0 259.353 3.144 20 10 CGCDRO COCCCCC[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000273575647 378753700 /nfs/dbraw/zinc/75/37/00/378753700.db2.gz LQBMRTKVKLXAJU-AWEZNQCLSA-N 1 0 265.397 3.476 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)Cc2ccccc2)c(O)c1C ZINC000273584511 378754341 /nfs/dbraw/zinc/75/43/41/378754341.db2.gz NLXSRKKMGMNIJI-WBVHZDCISA-N 1 0 299.414 3.263 20 10 CGCDRO C[C@H](CCO)C1(C[NH2+][C@@H](C)c2ccccc2O)CCC1 ZINC000272827727 378710660 /nfs/dbraw/zinc/71/06/60/378710660.db2.gz HBEXGYIGCASXLI-KGLIPLIRSA-N 1 0 277.408 3.232 20 10 CGCDRO CO[C@H](C)CC[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000273600666 378756295 /nfs/dbraw/zinc/75/62/95/378756295.db2.gz RWBHMOHCIUGFFE-NXEZZACHSA-N 1 0 257.761 3.121 20 10 CGCDRO COc1cccc(C[N@@H+]2CCCC3(CCC3)C2)c1O ZINC000373486662 379286900 /nfs/dbraw/zinc/28/69/00/379286900.db2.gz AANRSEDZTGRZIR-UHFFFAOYSA-N 1 0 261.365 3.167 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C2CC([NH+]3CCCCC3)C2)cc1C ZINC000373487471 379287712 /nfs/dbraw/zinc/28/77/12/379287712.db2.gz VZJXWPHSVBMDQC-UHFFFAOYSA-N 1 0 288.435 3.116 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCC3(CCOCC3)[C@@H]2C)c1 ZINC000375236864 379486951 /nfs/dbraw/zinc/48/69/51/379486951.db2.gz KBJVPOYWEWIJNL-AWEZNQCLSA-N 1 0 275.392 3.092 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000375320201 379489868 /nfs/dbraw/zinc/48/98/68/379489868.db2.gz MUHUCIPWNLEIET-UKRRQHHQSA-N 1 0 281.783 3.189 20 10 CGCDRO CO[C@@H]1CC[N@H+](Cc2cc(C)c(C)cc2O)[C@@H](C)C1 ZINC000282114736 379856957 /nfs/dbraw/zinc/85/69/57/379856957.db2.gz ALPVEAFZLCXIRJ-DZGCQCFKSA-N 1 0 263.381 3.008 20 10 CGCDRO C[C@@H]([NH2+][C@@H](CO)CC1CCC1)c1cc(Cl)ccc1O ZINC000281274287 379828425 /nfs/dbraw/zinc/82/84/25/379828425.db2.gz XCPPHYNPTQOBRF-ZWNOBZJWSA-N 1 0 283.799 3.247 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCCC12CCOCC2)c1ccccc1O ZINC000282465808 379926137 /nfs/dbraw/zinc/92/61/37/379926137.db2.gz GEIDONGSZPLLRF-BBRMVZONSA-N 1 0 275.392 3.392 20 10 CGCDRO CCCC[N@H+](Cc1ccccc1O)[C@H](C)c1nnc(C)o1 ZINC000282472596 379926878 /nfs/dbraw/zinc/92/68/78/379926878.db2.gz NYZYJDQDKMQMRC-GFCCVEGCSA-N 1 0 289.379 3.447 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCC1(C)C)c1ccc(N2CCOCC2)cc1 ZINC000284419206 380139359 /nfs/dbraw/zinc/13/93/59/380139359.db2.gz QRYAYMQVJYSEBN-YOEHRIQHSA-N 1 0 288.435 3.362 20 10 CGCDRO C[C@H]([NH2+][C@@H](C)c1c(F)cncc1F)c1ccccc1O ZINC000285707421 380152822 /nfs/dbraw/zinc/15/28/22/380152822.db2.gz PHEQEMDYOOZZNH-UWVGGRQHSA-N 1 0 278.302 3.477 20 10 CGCDRO COc1cccc(C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)c1O ZINC000093690199 392238659 /nfs/dbraw/zinc/23/86/59/392238659.db2.gz RGJKEMJLBZWVGY-DZGCQCFKSA-N 1 0 293.432 3.261 20 10 CGCDRO CCSCC[C@@H](C)[N@H+](C)Cc1cccc(OC)c1O ZINC000093871002 392240812 /nfs/dbraw/zinc/24/08/12/392240812.db2.gz IJJGUQGIYFIKIF-GFCCVEGCSA-N 1 0 283.437 3.364 20 10 CGCDRO COc1cccc(C[NH2+]C2CC(c3ccccc3)C2)c1O ZINC000105492417 392291301 /nfs/dbraw/zinc/29/13/01/392291301.db2.gz RHFBSXVZGIHAHC-UHFFFAOYSA-N 1 0 283.371 3.437 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CCCOC1)c1ccc2ccccc2c1O ZINC000109543543 392366363 /nfs/dbraw/zinc/36/63/63/392366363.db2.gz UHOPRBXSUYQVEZ-OCCSQVGLSA-N 1 0 271.360 3.375 20 10 CGCDRO CC[N@H+](CCOC)Cc1c(O)ccc2ccccc21 ZINC000109745941 392372976 /nfs/dbraw/zinc/37/29/76/392372976.db2.gz TZDCKORXIRJQPZ-UHFFFAOYSA-N 1 0 259.349 3.014 20 10 CGCDRO C[C@H](CCO)[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000121276571 392412366 /nfs/dbraw/zinc/41/23/66/392412366.db2.gz VNKAGAXUKGDKAE-KGLIPLIRSA-N 1 0 294.414 3.238 20 10 CGCDRO Oc1ccccc1C[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000134230285 392466504 /nfs/dbraw/zinc/46/65/04/392466504.db2.gz KXXIIEUHONJEAJ-OAHLLOKOSA-N 1 0 257.308 3.308 20 10 CGCDRO COCc1ccccc1C[NH2+]Cc1cccc(C)c1O ZINC000158092024 392554550 /nfs/dbraw/zinc/55/45/50/392554550.db2.gz SGQYBAGXOHTMHW-UHFFFAOYSA-N 1 0 271.360 3.137 20 10 CGCDRO CN(C)c1ccc(C[NH+]2CCC(OCC3CC3)CC2)cc1 ZINC000372399827 392606630 /nfs/dbraw/zinc/60/66/30/392606630.db2.gz WADOFWAXIJQAFP-UHFFFAOYSA-N 1 0 288.435 3.144 20 10 CGCDRO C[C@H](c1cccnc1)[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000178416656 392678676 /nfs/dbraw/zinc/67/86/76/392678676.db2.gz HPSXOKSDUVOMRW-CQSZACIVSA-N 1 0 269.392 3.341 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCO[C@H]2C2CC2)cc1 ZINC000374510445 392679241 /nfs/dbraw/zinc/67/92/41/392679241.db2.gz XKHNSWHEBFQURH-VHSSKADRSA-N 1 0 288.435 3.361 20 10 CGCDRO CN(C)c1ccccc1C[N@H+](C)Cc1ccccc1O ZINC000173358910 392625707 /nfs/dbraw/zinc/62/57/07/392625707.db2.gz PEVBMOVBHDJYEJ-UHFFFAOYSA-N 1 0 270.376 3.090 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2ccccc2O)C[C@H](c2ccsc2)O1 ZINC000179582201 392704206 /nfs/dbraw/zinc/70/42/06/392704206.db2.gz BMTAIFFPNQFUGS-MLGOLLRUSA-N 1 0 289.400 3.416 20 10 CGCDRO Cc1ccc(O)c(C[N@H+]2CCCC[C@H]2c2ccnn2C)c1 ZINC000281265802 393349587 /nfs/dbraw/zinc/34/95/87/393349587.db2.gz NMLWFBQBRYONOF-INIZCTEOSA-N 1 0 285.391 3.161 20 10 CGCDRO OCCC[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1ccccc1 ZINC000297760189 296543956 /nfs/dbraw/zinc/54/39/56/296543956.db2.gz OTSRLVZDGTWFEI-DLBZAZTESA-N 1 0 297.398 3.483 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC2(CO)CC3(CCC3)C2)c1 ZINC000278774004 292165426 /nfs/dbraw/zinc/16/54/26/292165426.db2.gz LIIJRZBJWBBDHM-CQSZACIVSA-N 1 0 289.419 3.294 20 10 CGCDRO COc1ccc(CC[NH2+]Cc2cc(Cl)ccc2O)cc1 ZINC000019907434 170919710 /nfs/dbraw/zinc/91/97/10/170919710.db2.gz MSVVCYHYSCBZIN-UHFFFAOYSA-N 1 0 291.778 3.387 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2ccncc2)c1 ZINC000020121363 171000532 /nfs/dbraw/zinc/00/05/32/171000532.db2.gz WCKVABYRDUPXOV-NWDGAFQWSA-N 1 0 272.348 3.208 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H](c1ccco1)N(C)C)c1ccccc1O ZINC000020122324 171002790 /nfs/dbraw/zinc/00/27/90/171002790.db2.gz PKOKBKGICJFULS-CABCVRRESA-N 1 0 288.391 3.329 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](C(C)C)N2CCCC2)c(O)c1 ZINC000020201016 171064792 /nfs/dbraw/zinc/06/47/92/171064792.db2.gz BZZNWYGUNNAAHT-NVXWUHKLSA-N 1 0 290.451 3.472 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc3c(c2)CCO3)o1 ZINC000037363219 173152804 /nfs/dbraw/zinc/15/28/04/173152804.db2.gz NRNCQLGQZSQVQM-GFCCVEGCSA-N 1 0 257.333 3.374 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](C)N2CCCCC2)c1 ZINC000038028879 174018531 /nfs/dbraw/zinc/01/85/31/174018531.db2.gz NQFSYHYIZSSUHH-CABCVRRESA-N 1 0 276.424 3.226 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]CCc2cccc(F)c2)c1 ZINC000071407070 176156290 /nfs/dbraw/zinc/15/62/90/176156290.db2.gz WWGXXLOGQQXSSA-UHFFFAOYSA-N 1 0 259.324 3.172 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H]2CCCC23CCOCC3)c1O ZINC000367107311 227017320 /nfs/dbraw/zinc/01/73/20/227017320.db2.gz MWJIGOHYXZJMJD-OAHLLOKOSA-N 1 0 275.392 3.140 20 10 CGCDRO CC[C@H]([NH2+]Cc1cccnc1OC)c1ccc(N(C)C)cc1 ZINC000151152567 260978666 /nfs/dbraw/zinc/97/86/66/260978666.db2.gz PAFVFONKBLQXRB-KRWDZBQOSA-N 1 0 299.418 3.397 20 10 CGCDRO CC[C@](C)([NH2+]Cc1ccccc1O)c1nccs1 ZINC000152636422 261066559 /nfs/dbraw/zinc/06/65/59/261066559.db2.gz WSIANDRKEBGCGO-AWEZNQCLSA-N 1 0 262.378 3.264 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](C)N(CC)CC)c1ccccc1O ZINC000155039891 261097018 /nfs/dbraw/zinc/09/70/18/261097018.db2.gz GFPKKWFNLQBOKZ-HIFRSBDPSA-N 1 0 264.413 3.163 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CCO[C@H](C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000157844050 261153904 /nfs/dbraw/zinc/15/39/04/261153904.db2.gz OWKATSZWVAWCSD-SKDZVZGDSA-N 1 0 288.435 3.361 20 10 CGCDRO CC[C@@H]([NH2+]CCCCOC)c1ccc(N(C)C)cc1 ZINC000158264466 261162480 /nfs/dbraw/zinc/16/24/80/261162480.db2.gz IHGAKJBJYYIXMO-MRXNPFEDSA-N 1 0 264.413 3.220 20 10 CGCDRO COc1cccc(C[N@H+](C)Cc2cccc(F)c2)c1O ZINC000160466148 261215121 /nfs/dbraw/zinc/21/51/21/261215121.db2.gz IZUCRUTXBUWCMC-UHFFFAOYSA-N 1 0 275.323 3.172 20 10 CGCDRO COc1ccc(N2CCC([NH2+]CCC3CC3)CC2)cc1 ZINC000368425913 261246823 /nfs/dbraw/zinc/24/68/23/261246823.db2.gz SPUYPELKVXNCCJ-UHFFFAOYSA-N 1 0 274.408 3.054 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1COC2(CCCCC2)O1)c1ccccc1O ZINC000183645132 261983532 /nfs/dbraw/zinc/98/35/32/261983532.db2.gz SUHKERCRGMNWEQ-KGLIPLIRSA-N 1 0 291.391 3.119 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCC[C@H]2CCCCO2)c1 ZINC000183988045 262003755 /nfs/dbraw/zinc/00/37/55/262003755.db2.gz AKKHDADFHGYJAI-ZIAGYGMSSA-N 1 0 293.407 3.401 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCC[C@@H]2CCCCO2)c1 ZINC000183988011 262003883 /nfs/dbraw/zinc/00/38/83/262003883.db2.gz AKKHDADFHGYJAI-KGLIPLIRSA-N 1 0 293.407 3.401 20 10 CGCDRO COc1cc(Cl)cc(C[N@H+](C(C)C)C2CC2)c1O ZINC000184680482 262026192 /nfs/dbraw/zinc/02/61/92/262026192.db2.gz KXGQAOWHJIQWPP-UHFFFAOYSA-N 1 0 269.772 3.427 20 10 CGCDRO C[C@@H]([NH2+]CCC[NH+](C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000184843054 262030893 /nfs/dbraw/zinc/03/08/93/262030893.db2.gz ZNZMPDSVFLPAIA-SECBINFHSA-N 1 0 291.222 3.301 20 10 CGCDRO C[C@@H]([NH2+]Cc1nccs1)c1cc(Cl)ccc1O ZINC000185087610 262040853 /nfs/dbraw/zinc/04/08/53/262040853.db2.gz SIBJGLTUEJLHPR-MRVPVSSYSA-N 1 0 268.769 3.353 20 10 CGCDRO CC[C@H](C)NC(=O)CC[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000185154790 262044129 /nfs/dbraw/zinc/04/41/29/262044129.db2.gz YXSHQQKGQKCVLF-QWRGUYRKSA-N 1 0 298.814 3.001 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCC[C@H]2OCC[C@@H]21)c1ccccc1O ZINC000185213825 262046065 /nfs/dbraw/zinc/04/60/65/262046065.db2.gz LGJRFLPQKIYTMV-WBTNSWJXSA-N 1 0 275.392 3.391 20 10 CGCDRO COc1ccc(C[NH2+][C@H](C)c2cc(C)ccc2O)cc1O ZINC000185300644 262048962 /nfs/dbraw/zinc/04/89/62/262048962.db2.gz UMZQDNJHNLHNHK-GFCCVEGCSA-N 1 0 287.359 3.266 20 10 CGCDRO CO[C@@H](C[NH2+][C@H](C)c1ccc(C)cc1O)C(C)(C)C ZINC000185617791 262062502 /nfs/dbraw/zinc/06/25/02/262062502.db2.gz INCLHPYHNNGRGR-DOMZBBRYSA-N 1 0 265.397 3.412 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC(C)(C)[C@@H](O)C(C)C)c1 ZINC000186174558 262082587 /nfs/dbraw/zinc/08/25/87/262082587.db2.gz FCPHQDCTNCDLOW-CJNGLKHVSA-N 1 0 279.424 3.394 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)[C@@H](O)C(C)C)c(O)c1 ZINC000186174812 262082739 /nfs/dbraw/zinc/08/27/39/262082739.db2.gz FLXMHILLUZNYNV-CJNGLKHVSA-N 1 0 279.424 3.394 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CC[C@H]2CCCCO2)c(O)c1 ZINC000186515765 262315787 /nfs/dbraw/zinc/31/57/87/262315787.db2.gz FFGDXKCJEUTMGW-ZIAGYGMSSA-N 1 0 263.381 3.310 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)cc1F ZINC000284957761 263088635 /nfs/dbraw/zinc/08/86/35/263088635.db2.gz HUEILDGFIGWQGJ-SJORKVTESA-N 1 0 292.398 3.035 20 10 CGCDRO CCOC[C@H]([NH2+][C@H](C)c1ccc(C)cc1O)C(C)C ZINC000189347368 264292229 /nfs/dbraw/zinc/29/22/29/264292229.db2.gz HRVABCFDMHWUOR-HIFRSBDPSA-N 1 0 265.397 3.412 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cnc3n2CCCC3)c1 ZINC000367438720 267089751 /nfs/dbraw/zinc/08/97/51/267089751.db2.gz OUTUGDHWQVUNMH-CYBMUJFWSA-N 1 0 285.391 3.084 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000367689429 267109677 /nfs/dbraw/zinc/10/96/77/267109677.db2.gz VLLOSPLZSNRBAJ-GJZGRUSLSA-N 1 0 275.392 3.031 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]CC2CC=CC2)c1O ZINC000529638705 270186613 /nfs/dbraw/zinc/18/66/13/270186613.db2.gz AFTSRHYGWBJMPE-UHFFFAOYSA-N 1 0 267.756 3.110 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CC3(CCC3)C[C@@H]2C)cc1OC ZINC000376987775 268036078 /nfs/dbraw/zinc/03/60/78/268036078.db2.gz YOVCYRXSRKFULB-LBPRGKRZSA-N 1 0 291.391 3.174 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CC3(CCC3)C[C@H]2C)cc1OC ZINC000376987774 268036672 /nfs/dbraw/zinc/03/66/72/268036672.db2.gz YOVCYRXSRKFULB-GFCCVEGCSA-N 1 0 291.391 3.174 20 10 CGCDRO C[C@H](Cn1cccn1)[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000273355803 274500220 /nfs/dbraw/zinc/50/02/20/274500220.db2.gz CQBPJTFGZKEFQW-ZIAGYGMSSA-N 1 0 299.418 3.207 20 10 CGCDRO CC(C)[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000071198912 275657150 /nfs/dbraw/zinc/65/71/50/275657150.db2.gz FWJIWOOCZJKXQG-GFCCVEGCSA-N 1 0 284.350 3.255 20 10 CGCDRO COC1CCN(c2ccc(C[N@H+](C)C3CCC3)cc2)CC1 ZINC000295062959 328284666 /nfs/dbraw/zinc/28/46/66/328284666.db2.gz PMZTUTAVXPQCHZ-UHFFFAOYSA-N 1 0 288.435 3.286 20 10 CGCDRO COc1cccc(C[NH2+][C@@H](C)CC(C)(C)C)c1O ZINC000296131858 327088388 /nfs/dbraw/zinc/08/83/88/327088388.db2.gz UPBJZQXIUNCERU-NSHDSACASA-N 1 0 251.370 3.315 20 10 CGCDRO CC(C)COC1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000092222956 327190539 /nfs/dbraw/zinc/19/05/39/327190539.db2.gz LDGWBBKGYWBZKL-UHFFFAOYSA-N 1 0 290.451 3.390 20 10 CGCDRO CS[C@@H]1CCC[C@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000226608974 329262412 /nfs/dbraw/zinc/26/24/12/329262412.db2.gz MPFVKXQFCKPBMF-QWHCGFSZSA-N 1 0 269.385 3.295 20 10 CGCDRO CN(C)c1ccc(C[NH+]2CCC([C@H]3CCCO3)CC2)cc1 ZINC000188248899 329367078 /nfs/dbraw/zinc/36/70/78/329367078.db2.gz SQLIMZHUKUGAEH-GOSISDBHSA-N 1 0 288.435 3.144 20 10 CGCDRO Cc1c2ccccc2n(C)c1CN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000423084283 330168826 /nfs/dbraw/zinc/16/88/26/330168826.db2.gz HLRKAPHDLCEBGP-GDBMZVCRSA-N 1 0 285.435 3.107 20 10 CGCDRO Cc1c2ccccc2n(C)c1CN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423084285 330168908 /nfs/dbraw/zinc/16/89/08/330168908.db2.gz HLRKAPHDLCEBGP-HOCLYGCPSA-N 1 0 285.435 3.107 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]C[C@H]2CCN2C2CCCCC2)c1 ZINC000527752200 330281094 /nfs/dbraw/zinc/28/10/94/330281094.db2.gz NFQMMPSDONFXBH-QGZVFWFLSA-N 1 0 288.435 3.197 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CC[C@H]2CCCOC2)c(O)c1C ZINC000527931314 330297424 /nfs/dbraw/zinc/29/74/24/330297424.db2.gz RPEFFDXQGVZZLR-LSDHHAIUSA-N 1 0 277.408 3.476 20 10 CGCDRO C[NH+](C)Cc1cccc(NCc2cc(F)ccc2O)c1 ZINC000226580733 333265259 /nfs/dbraw/zinc/26/52/59/333265259.db2.gz GTHSWKVVOQTXEZ-UHFFFAOYSA-N 1 0 274.339 3.205 20 10 CGCDRO C[C@H](N[C@H]1CC[NH2+]C12CCC2)c1ccc2ccccc2c1O ZINC000530217404 333528527 /nfs/dbraw/zinc/52/85/27/333528527.db2.gz SSRXUGDRSOVMIE-GUYCJALGSA-N 1 0 296.414 3.481 20 10 CGCDRO CC[C@H]([NH2+]CC1(O)CCCCC1)c1ccccc1O ZINC000087017804 522571800 /nfs/dbraw/zinc/57/18/00/522571800.db2.gz RSSKXZPMFSBEFB-AWEZNQCLSA-N 1 0 263.381 3.128 20 10 CGCDRO CC(C)(O)CC[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000274739189 519349361 /nfs/dbraw/zinc/34/93/61/519349361.db2.gz JKVUXBDBMAVAFR-UHFFFAOYSA-N 1 0 285.387 3.310 20 10 CGCDRO CCC[C@@H](CCO)C[NH2+][C@@H](CC)c1ccccc1O ZINC000156138678 520701847 /nfs/dbraw/zinc/70/18/47/520701847.db2.gz FPIYPCRXNBWVEI-ZFWWWQNUSA-N 1 0 265.397 3.232 20 10 CGCDRO CO[C@]1(C)CCC[N@H+](Cc2cc(C)ccc2O)CC1 ZINC000280262049 521750990 /nfs/dbraw/zinc/75/09/90/521750990.db2.gz LXHNFNXMVLNGJJ-MRXNPFEDSA-N 1 0 263.381 3.092 20 10 CGCDRO COCC[C@@H]([NH2+]Cc1cccc(C)c1O)c1ccc(C)o1 ZINC000272647807 521858749 /nfs/dbraw/zinc/85/87/49/521858749.db2.gz PFSLUJAJGCVVJB-OAHLLOKOSA-N 1 0 289.375 3.469 20 10 CGCDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000049092551 522359847 /nfs/dbraw/zinc/35/98/47/522359847.db2.gz QZNOMGORZTWBEH-CABCVRRESA-N 1 0 276.424 3.047 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)CSC)c1ccc(C)cc1O ZINC000280175771 522691246 /nfs/dbraw/zinc/69/12/46/522691246.db2.gz RJILOAIQTCDEEY-AAEUAGOBSA-N 1 0 253.411 3.493 20 10 CGCDRO CC[C@@H]([NH2+]CCCn1cccn1)c1ccc(C)cc1O ZINC000280166023 522833469 /nfs/dbraw/zinc/83/34/69/522833469.db2.gz QYHLNRBGSBDKDH-OAHLLOKOSA-N 1 0 273.380 3.028 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cccc(C(N)=O)c1)c1ccc(C)cc1O ZINC000280173511 522881435 /nfs/dbraw/zinc/88/14/35/522881435.db2.gz RGWPMBGYVNSJPV-MRXNPFEDSA-N 1 0 298.386 3.040 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](C)C1CCOCC1)c1ccccc1O ZINC000156371933 522906442 /nfs/dbraw/zinc/90/64/42/522906442.db2.gz DXYZIHPPEWJIAR-SWLSCSKDSA-N 1 0 263.381 3.248 20 10 CGCDRO CC[C@@H]([NH2+][C@H](C)CCOC)c1ccc(C)cc1O ZINC000279947469 522932706 /nfs/dbraw/zinc/93/27/06/522932706.db2.gz BMSGTVOMVXSKES-TZMCWYRMSA-N 1 0 251.370 3.166 20 10 CGCDRO Cc1cccc(C[NH2+]C[C@H]2CCC(F)(F)C2)c1O ZINC000281089703 524433429 /nfs/dbraw/zinc/43/34/29/524433429.db2.gz KATGVONKBGSAMR-NSHDSACASA-N 1 0 255.308 3.226 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c1 ZINC000290998912 525338987 /nfs/dbraw/zinc/33/89/87/525338987.db2.gz AQEWWBFVUOJFOZ-HZPDHXFCSA-N 1 0 275.392 3.090 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCCc3occc32)c1 ZINC000071406855 525352933 /nfs/dbraw/zinc/35/29/33/525352933.db2.gz TZYSLRWJTUFSRV-CQSZACIVSA-N 1 0 257.333 3.461 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)[C@@H](O)c2ccccc2)c1 ZINC000290522518 525365631 /nfs/dbraw/zinc/36/56/31/525365631.db2.gz ZAKSUJMBEWMTNU-PMUMKWKESA-N 1 0 285.387 3.473 20 10 CGCDRO C[C@@H]([NH2+]CC(C)(C)CCCO)c1cc(Cl)ccc1O ZINC000273466544 525414077 /nfs/dbraw/zinc/41/40/77/525414077.db2.gz IZPBKJANHJKTSX-LLVKDONJSA-N 1 0 285.815 3.495 20 10 CGCDRO C[C@@H]([NH2+]CCc1cccs1)c1cc(F)ccc1O ZINC000094616730 525465400 /nfs/dbraw/zinc/46/54/00/525465400.db2.gz IMGKKYPHPPSDKE-SNVBAGLBSA-N 1 0 265.353 3.486 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)CO)c1ccc(N2CCCCCC2)cc1 ZINC000127583918 525599868 /nfs/dbraw/zinc/59/98/68/525599868.db2.gz PQPTZJPMFAVENR-LSDHHAIUSA-N 1 0 276.424 3.098 20 10 CGCDRO CSC[C@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000292527602 525708098 /nfs/dbraw/zinc/70/80/98/525708098.db2.gz WTMXEFHCGUBTKR-HNNXBMFYSA-N 1 0 278.465 3.328 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCCOCC2CC2)c(O)c1 ZINC000020191252 525918898 /nfs/dbraw/zinc/91/88/98/525918898.db2.gz JNKFMGYPBIORAI-ZDUSSCGKSA-N 1 0 263.381 3.168 20 10 CGCDRO COc1cccc(C[N@@H+]2CCC[C@H]2c2ccncc2)c1O ZINC000289979755 525941229 /nfs/dbraw/zinc/94/12/29/525941229.db2.gz ZQSOOWJHZILSHD-HNNXBMFYSA-N 1 0 284.359 3.133 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H](CO)c2ccccc2)c(O)c1C ZINC000273587894 525943800 /nfs/dbraw/zinc/94/38/00/525943800.db2.gz OHIHEGUITUSGQC-WMLDXEAASA-N 1 0 285.387 3.393 20 10 CGCDRO COc1cccc(C[NH2+]Cc2cc(C)cc(C)c2)c1O ZINC000265020243 526022524 /nfs/dbraw/zinc/02/25/24/526022524.db2.gz CLHJFZARKHRZSD-UHFFFAOYSA-N 1 0 271.360 3.307 20 10 CGCDRO COc1cccc(C[NH2+]Cc2ccc(C)s2)c1O ZINC000050225157 526024371 /nfs/dbraw/zinc/02/43/71/526024371.db2.gz OLAUWZJKIZBHMY-UHFFFAOYSA-N 1 0 263.362 3.061 20 10 CGCDRO Oc1ccc(Br)cc1C[NH2+][C@@H]1CC=CCC1 ZINC000076771121 526341476 /nfs/dbraw/zinc/34/14/76/526341476.db2.gz LCOJGDXLYFRLFS-GFCCVEGCSA-N 1 0 282.181 3.353 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]Cc1ccc2c(n1)CCCC2 ZINC000278628551 526350657 /nfs/dbraw/zinc/35/06/57/526350657.db2.gz HVTUVOOLPRUANQ-UHFFFAOYSA-N 1 0 286.350 3.095 20 10 CGCDRO Cc1ncsc1C[N@@H+](C)Cc1ccc(N(C)C)c(C)c1 ZINC000293261584 527497653 /nfs/dbraw/zinc/49/76/53/527497653.db2.gz XNIGHAGIGBCVEQ-UHFFFAOYSA-N 1 0 289.448 3.458 20 10 CGCDRO OC1(CC[NH2+]Cc2ccc(N3CCCCC3)cc2)CCC1 ZINC000284197468 527506367 /nfs/dbraw/zinc/50/63/67/527506367.db2.gz YQQTWIPNZFBUMQ-UHFFFAOYSA-N 1 0 288.435 3.072 20 10 CGCDRO Oc1ccccc1C[NH2+]Cc1ccc2cccnc2c1 ZINC000727470826 571748720 /nfs/dbraw/zinc/74/87/20/571748720.db2.gz OHIOXYWBOTUIKM-UHFFFAOYSA-N 1 0 264.328 3.230 20 10 CGCDRO C[C@H](COc1ccccc1)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000731449919 572412308 /nfs/dbraw/zinc/41/23/08/572412308.db2.gz FMLMSXDOEBBQDM-OAHLLOKOSA-N 1 0 284.403 3.310 20 10 CGCDRO C[C@H](COc1ccccc1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000731450156 572412316 /nfs/dbraw/zinc/41/23/16/572412316.db2.gz HWBZNRDXBVKJAB-CQSZACIVSA-N 1 0 283.371 3.179 20 10 CGCDRO COc1ccc(C2([NH2+]Cc3ccccc3O)CC2)cc1 ZINC000731678514 572423356 /nfs/dbraw/zinc/42/33/56/572423356.db2.gz GGDDRJXONYGTTF-UHFFFAOYSA-N 1 0 269.344 3.180 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@]2(C)CCOC2)cc1F ZINC000740005803 572428964 /nfs/dbraw/zinc/42/89/64/572428964.db2.gz GAAFLZLSRLDQQF-QGZVFWFLSA-N 1 0 294.414 3.188 20 10 CGCDRO COc1ccc(C[NH2+]Cc2cc(C)c(O)c(C)c2)c(O)c1 ZINC000725851469 572444839 /nfs/dbraw/zinc/44/48/39/572444839.db2.gz QQKAVWKTCKSINO-UHFFFAOYSA-N 1 0 287.359 3.013 20 10 CGCDRO C[N@H+](Cc1c(O)ccc2ccccc21)[C@H]1CCN(C2CC2)C1 ZINC000732189353 572451275 /nfs/dbraw/zinc/45/12/75/572451275.db2.gz QRSOLZCKEFMFQN-INIZCTEOSA-N 1 0 296.414 3.214 20 10 CGCDRO C[C@](O)(C[NH2+]Cc1cc(-c2ccccc2)ccc1O)C1CC1 ZINC000732668281 572477416 /nfs/dbraw/zinc/47/74/16/572477416.db2.gz FFNWCZBQRDFSAB-IBGZPJMESA-N 1 0 297.398 3.310 20 10 CGCDRO COc1ccc(C[NH2+]CC2CCC(OC)CC2)cc1C ZINC000749922753 573058559 /nfs/dbraw/zinc/05/85/59/573058559.db2.gz OBMUOIMUENVYEZ-UHFFFAOYSA-N 1 0 277.408 3.298 20 10 CGCDRO C[N@@H+](Cc1cc2c(cc1O)CCCC2)C[C@@H]1CCCOC1 ZINC000160163090 617609308 /nfs/dbraw/zinc/60/93/08/617609308.db2.gz JZVWNXWJWWSZNU-AWEZNQCLSA-N 1 0 289.419 3.129 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1C[C@H](OC)C1(C)C)c1ccccc1O ZINC000300419669 617787569 /nfs/dbraw/zinc/78/75/69/617787569.db2.gz JQJKJSIADQYNST-CFVMTHIKSA-N 1 0 263.381 3.246 20 10 CGCDRO CCOC[C@@H]1CC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000160349972 618000642 /nfs/dbraw/zinc/00/06/42/618000642.db2.gz AXPBVGYPXKCTJR-CQSZACIVSA-N 1 0 289.419 3.129 20 10 CGCDRO CCCC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000070975812 618050217 /nfs/dbraw/zinc/05/02/17/618050217.db2.gz RJWGCWVINVXCHP-HNNXBMFYSA-N 1 0 263.381 3.173 20 10 CGCDRO Fc1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)c(F)c1 ZINC000050198586 618071952 /nfs/dbraw/zinc/07/19/52/618071952.db2.gz BBCMLLBJUUHOLD-UHFFFAOYSA-N 1 0 275.298 3.190 20 10 CGCDRO COC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000307767197 618077037 /nfs/dbraw/zinc/07/70/37/618077037.db2.gz GINWBVYWQKPUFT-ZDUSSCGKSA-N 1 0 299.798 3.055 20 10 CGCDRO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000187575628 618099634 /nfs/dbraw/zinc/09/96/34/618099634.db2.gz HRVCZHHCSBRBMN-QAPCUYQASA-N 1 0 288.435 3.144 20 10 CGCDRO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1ccccc1O ZINC000255236647 618122185 /nfs/dbraw/zinc/12/21/85/618122185.db2.gz KCIOQVHYCRXEJR-TWGQIWQCSA-N 1 0 298.342 3.446 20 10 CGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cccc(O)c1 ZINC000156846344 618148318 /nfs/dbraw/zinc/14/83/18/618148318.db2.gz MLBKIRXMAWLZQC-UHFFFAOYSA-N 1 0 284.403 3.480 20 10 CGCDRO Cc1ccc(C[N@@H+](C)Cc2ccc(N(C)C)c(F)c2)o1 ZINC000160853257 618162055 /nfs/dbraw/zinc/16/20/55/618162055.db2.gz GZFJSGCNEZADAF-UHFFFAOYSA-N 1 0 276.355 3.425 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCOC1)c1ccc(N2CCCCC2)cc1 ZINC000090774191 618187983 /nfs/dbraw/zinc/18/79/83/618187983.db2.gz HVSHNTGHHPICDZ-GOEBONIOSA-N 1 0 274.408 3.116 20 10 CGCDRO C[C@@H]([NH2+]CCOC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000308692131 618224412 /nfs/dbraw/zinc/22/44/12/618224412.db2.gz KKUSZTPUELAHRY-CYBMUJFWSA-N 1 0 264.413 3.218 20 10 CGCDRO COc1ccc(C[N@H+](C)C2CCC(C)CC2)c(O)c1OC ZINC000891508965 618233826 /nfs/dbraw/zinc/23/38/26/618233826.db2.gz JILJDRWMLMRQJL-UHFFFAOYSA-N 1 0 293.407 3.420 20 10 CGCDRO COc1ccc(C[N@H+](CCC(C)C)C2CC2)c(O)c1OC ZINC000891592435 618240497 /nfs/dbraw/zinc/24/04/97/618240497.db2.gz JGAOORPNDFGQJE-UHFFFAOYSA-N 1 0 293.407 3.420 20 10 CGCDRO CCC(C)(C)OCC[NH2+][C@@H](C)c1ccccc1O ZINC000308531174 618243429 /nfs/dbraw/zinc/24/34/29/618243429.db2.gz AHILTQAWYABCQL-LBPRGKRZSA-N 1 0 251.370 3.248 20 10 CGCDRO CCC(C)(C)OCC[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000308731284 618384585 /nfs/dbraw/zinc/38/45/85/618384585.db2.gz JNRCPLQSXIJMIJ-GFCCVEGCSA-N 1 0 281.396 3.257 20 10 CGCDRO CCN(C)c1ccc(C[NH2+][C@@H]2CCOC23CCCC3)cc1 ZINC000934391652 618615053 /nfs/dbraw/zinc/61/50/53/618615053.db2.gz QCRHONNWHRBTTK-QGZVFWFLSA-N 1 0 288.435 3.334 20 10 CGCDRO CC[C@@H]([NH2+]CCCCn1ccnc1)c1ccccc1O ZINC000045094512 618619033 /nfs/dbraw/zinc/61/90/33/618619033.db2.gz PITDOZQMSYJKNB-OAHLLOKOSA-N 1 0 273.380 3.110 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCN2CCC[C@H](C)C2)c1 ZINC000185028299 625290242 /nfs/dbraw/zinc/29/02/42/625290242.db2.gz BZLMPHRNKRAVFK-LSDHHAIUSA-N 1 0 276.424 3.083 20 10 CGCDRO CCCCCC[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000892426155 618774266 /nfs/dbraw/zinc/77/42/66/618774266.db2.gz DTUWMLFGFPYPPG-UHFFFAOYSA-N 1 0 267.369 3.079 20 10 CGCDRO Oc1ccccc1C[N@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000179585681 618796297 /nfs/dbraw/zinc/79/62/97/618796297.db2.gz XJBQBLXURYSJLC-GOSISDBHSA-N 1 0 297.398 3.226 20 10 CGCDRO COC1([C@@H](C)[NH2+][C@H](C)c2ccc(C)cc2O)CCC1 ZINC000840883524 618868482 /nfs/dbraw/zinc/86/84/82/618868482.db2.gz DUVPOBDCKPNQME-CHWSQXEVSA-N 1 0 263.381 3.309 20 10 CGCDRO COC1([C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2O)CCC1 ZINC000840884360 618871738 /nfs/dbraw/zinc/87/17/38/618871738.db2.gz LCVWXZVVHZWAPB-WDEREUQCSA-N 1 0 267.344 3.140 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCOC3(CCCC3)C2)cc1C ZINC000164576026 618894831 /nfs/dbraw/zinc/89/48/31/618894831.db2.gz SWWDFUNRIPWGHC-UHFFFAOYSA-N 1 0 275.392 3.154 20 10 CGCDRO COCCCC1(C[NH2+]Cc2ccccc2O)CCC1 ZINC000892790788 618936184 /nfs/dbraw/zinc/93/61/84/618936184.db2.gz JEQJCFZIJYRBBX-UHFFFAOYSA-N 1 0 263.381 3.079 20 10 CGCDRO CC1(C[NH2+]CCCSc2nccs2)CCC1 ZINC000309783306 618956474 /nfs/dbraw/zinc/95/64/74/618956474.db2.gz NLFMUIHODSSSPV-UHFFFAOYSA-N 1 0 256.440 3.405 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCC[C@H](CO)C1)c1ccc(N(C)C)cc1 ZINC000840895641 618965058 /nfs/dbraw/zinc/96/50/58/618965058.db2.gz POXUBUVQEUSJKX-ZVZYQTTQSA-N 1 0 290.451 3.344 20 10 CGCDRO C[C@H]([NH2+]CCc1cn2ccccc2n1)c1cc(F)ccc1O ZINC000184970138 619056716 /nfs/dbraw/zinc/05/67/16/619056716.db2.gz OMFAROAWQNZEFJ-LBPRGKRZSA-N 1 0 299.349 3.072 20 10 CGCDRO C[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])N1CCC(C)CC1 ZINC000185227347 619059078 /nfs/dbraw/zinc/05/90/78/619059078.db2.gz WTJHTBXBNBEZOR-KGLIPLIRSA-N 1 0 294.414 3.302 20 10 CGCDRO CC(C)C[C@@H](CCO)C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000185615513 619063099 /nfs/dbraw/zinc/06/30/99/619063099.db2.gz JHYKVZYRFQHLGY-QWHCGFSZSA-N 1 0 283.387 3.227 20 10 CGCDRO C[C@H]([NH2+]CCC1CCOCC1)c1ccc(N(C)C)cc1 ZINC000312451287 619078457 /nfs/dbraw/zinc/07/84/57/619078457.db2.gz ONQNBNLTOHGGME-AWEZNQCLSA-N 1 0 276.424 3.220 20 10 CGCDRO CCOC(=O)C[C@](C)([NH2+]Cc1cccc(C)c1O)C(C)C ZINC000187705818 619079193 /nfs/dbraw/zinc/07/91/93/619079193.db2.gz LNNNRHYQYCYDMK-KRWDZBQOSA-N 1 0 293.407 3.158 20 10 CGCDRO Cc1cc(CC[NH2+]Cc2ccc3c(c2)CCO3)cc(C)c1O ZINC000190396186 619099597 /nfs/dbraw/zinc/09/95/97/619099597.db2.gz JLWQZEGUCYSZNU-UHFFFAOYSA-N 1 0 297.398 3.276 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)c(Cl)c1 ZINC000840907449 619113172 /nfs/dbraw/zinc/11/31/72/619113172.db2.gz FAPSZDVTYCNQSY-ZSBIGDGJSA-N 1 0 283.799 3.400 20 10 CGCDRO CCOCCC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000020092225 619133302 /nfs/dbraw/zinc/13/33/02/619133302.db2.gz ZHOYFCJVZNOCMK-UHFFFAOYSA-N 1 0 276.424 3.193 20 10 CGCDRO CC(C)[C@@H](C[NH2+][C@H](C)c1ccccc1O)c1ccnn1C ZINC000788260103 619137230 /nfs/dbraw/zinc/13/72/30/619137230.db2.gz SWLSCVBQDMRCJD-UKRRQHHQSA-N 1 0 287.407 3.216 20 10 CGCDRO CCOC[C@H]1CC[N@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000840918182 619137558 /nfs/dbraw/zinc/13/75/58/619137558.db2.gz DSHPUFZOMMHCTH-LBPRGKRZSA-N 1 0 283.799 3.212 20 10 CGCDRO CC1(C)C[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C(C)(C)O1 ZINC000178403901 619173212 /nfs/dbraw/zinc/17/32/12/619173212.db2.gz WJOYPUVGZNRCJF-OAHLLOKOSA-N 1 0 275.392 3.057 20 10 CGCDRO CS[C@H]1CC[C@@H]([NH2+]Cc2ccc(N(C)C)cc2C)C1 ZINC000840935007 619226660 /nfs/dbraw/zinc/22/66/60/619226660.db2.gz BEDSSPBCFBVNHY-ZBFHGGJFSA-N 1 0 278.465 3.435 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@]1(C)CCCC[C@@H]1O ZINC000840935807 619227109 /nfs/dbraw/zinc/22/71/09/619227109.db2.gz ZCXFZBUSSYLTAR-ZWKOTPCHSA-N 1 0 290.451 3.092 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCS[C@H]2C)c1 ZINC000310223625 619273285 /nfs/dbraw/zinc/27/32/85/619273285.db2.gz FTTZLEGWQASBMW-GMXVVIOVSA-N 1 0 251.395 3.245 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CS[C@H](C)C1 ZINC000840959020 619276105 /nfs/dbraw/zinc/27/61/05/619276105.db2.gz RBORTEBZTRMQBD-OCCSQVGLSA-N 1 0 264.438 3.045 20 10 CGCDRO COc1ccc(C[N@@H+]2CCCC[C@@H](C)C2)c(O)c1OC ZINC000893679665 619278127 /nfs/dbraw/zinc/27/81/27/619278127.db2.gz WLHBYLKVJYGTEM-GFCCVEGCSA-N 1 0 279.380 3.031 20 10 CGCDRO C[C@@H]1C[C@H](C[NH2+]C/C=C\c2ccc(N(C)C)cc2)[C@H](C)O1 ZINC000840963121 619282304 /nfs/dbraw/zinc/28/23/04/619282304.db2.gz IIGCFZWQXISNLP-KITMGBPKSA-N 1 0 288.435 3.169 20 10 CGCDRO Oc1ccc(Cl)cc1CN1CC[NH2+]Cc2ccccc21 ZINC000062818096 619282917 /nfs/dbraw/zinc/28/29/17/619282917.db2.gz LIELAMVLHQOXQG-UHFFFAOYSA-N 1 0 288.778 3.155 20 10 CGCDRO CN1CCCc2cc(C[NH2+]CC3(C)CCC3)ccc21 ZINC000234343222 619312273 /nfs/dbraw/zinc/31/22/73/619312273.db2.gz HWAQCEAPZGVPJN-UHFFFAOYSA-N 1 0 258.409 3.349 20 10 CGCDRO CCCN(c1ccc(C[NH3+])cc1)C1CCC(C)(O)CC1 ZINC000894046564 619358037 /nfs/dbraw/zinc/35/80/37/619358037.db2.gz OFBPKICLWXPMHZ-UHFFFAOYSA-N 1 0 276.424 3.055 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C(CC)(CC)CO)cc1F ZINC000236907304 619371355 /nfs/dbraw/zinc/37/13/55/619371355.db2.gz UNKZIQGBQJKVFO-UHFFFAOYSA-N 1 0 296.430 3.313 20 10 CGCDRO COc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H]3C2)c(O)c1 ZINC000894184720 619407675 /nfs/dbraw/zinc/40/76/75/619407675.db2.gz DTDYSKYGCYIASG-VXGBXAGGSA-N 1 0 261.365 3.069 20 10 CGCDRO COc1cc(C)cc(C[NH2+]Cc2ccc(C)s2)c1O ZINC000894186598 619408695 /nfs/dbraw/zinc/40/86/95/619408695.db2.gz LXIJQCPLQAXHPO-UHFFFAOYSA-N 1 0 277.389 3.369 20 10 CGCDRO COc1cc(C)cc(C[NH2+]Cc2ccc(Cl)nc2)c1O ZINC000894193670 619409146 /nfs/dbraw/zinc/40/91/46/619409146.db2.gz SQCDQMUCDDASEK-UHFFFAOYSA-N 1 0 292.766 3.047 20 10 CGCDRO CCC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])CC1 ZINC000185351120 625349219 /nfs/dbraw/zinc/34/92/19/625349219.db2.gz LEFCNLHPJJIDRN-ZDUSSCGKSA-N 1 0 294.414 3.304 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@H]2CC[C@@H](SC)C2)c1O ZINC000894312984 619486552 /nfs/dbraw/zinc/48/65/52/619486552.db2.gz PMLXNUPDUXELOY-QWHCGFSZSA-N 1 0 281.421 3.083 20 10 CGCDRO COc1cccc(C[NH2+]Cc2ccc3c(c2)CCCO3)c1O ZINC000894457455 619543826 /nfs/dbraw/zinc/54/38/26/619543826.db2.gz BFICAHKZYCGWFO-UHFFFAOYSA-N 1 0 299.370 3.016 20 10 CGCDRO O[C@H](CC[NH2+]Cc1ccc2c(c1)CCCO2)c1ccccc1 ZINC000894468619 619546903 /nfs/dbraw/zinc/54/69/03/619546903.db2.gz YOPCZMILNCOPFX-GOSISDBHSA-N 1 0 297.398 3.225 20 10 CGCDRO COc1cc(C)cc(C[N@H+](CC2CC2)C2CCC2)c1O ZINC000894636506 619592789 /nfs/dbraw/zinc/59/27/89/619592789.db2.gz LCCCZZVQUULOGL-UHFFFAOYSA-N 1 0 275.392 3.474 20 10 CGCDRO CCC(CC)[C@@H](O)C[NH2+][C@H](C)c1ccc(C)cc1O ZINC000185424814 625358821 /nfs/dbraw/zinc/35/88/21/625358821.db2.gz NHYIDZMJNGMTHJ-WBMJQRKESA-N 1 0 265.397 3.148 20 10 CGCDRO CCC[C@@H]([NH2+]Cc1ccc(OC)c(OC)c1O)C1CCC1 ZINC000894867500 619660275 /nfs/dbraw/zinc/66/02/75/619660275.db2.gz NLDRJVAMMKQXGO-CQSZACIVSA-N 1 0 293.407 3.468 20 10 CGCDRO C[N@H+](CCc1nccs1)Cc1cc2c(cc1O)CCC2 ZINC000178968793 619720603 /nfs/dbraw/zinc/72/06/03/619720603.db2.gz KRNDJWSRZWUMBW-UHFFFAOYSA-N 1 0 288.416 3.012 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@@H]2CCCC23CC3)c1O ZINC000895416728 619823443 /nfs/dbraw/zinc/82/34/43/619823443.db2.gz ATILVEBWMXAHCU-CQSZACIVSA-N 1 0 261.365 3.132 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2nccn2CC(C)C)c1 ZINC000185545828 625374641 /nfs/dbraw/zinc/37/46/41/625374641.db2.gz IUSHWAIRTXHNTH-CQSZACIVSA-N 1 0 287.407 3.404 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C2CCC3(COC3)CC2)cc1Cl ZINC000895695395 619873140 /nfs/dbraw/zinc/87/31/40/619873140.db2.gz XKDRULSJCDKRMC-UHFFFAOYSA-N 1 0 295.810 3.403 20 10 CGCDRO COc1cc(C)cc(C[NH2+]C2(C3CC3)CCC2)c1O ZINC000895902370 619904159 /nfs/dbraw/zinc/90/41/59/619904159.db2.gz YBCCQAGKRDGIIM-UHFFFAOYSA-N 1 0 261.365 3.132 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC000896232040 619971524 /nfs/dbraw/zinc/97/15/24/619971524.db2.gz VNZFHCMGVBYZHE-BEFAXECRSA-N 1 0 295.382 3.174 20 10 CGCDRO CO[C@]1(C)C[C@H]([NH2+]Cc2ccc(N(C)C)cc2)C1(C)C ZINC000237272547 620079191 /nfs/dbraw/zinc/07/91/91/620079191.db2.gz XJWGADPCKQUWBL-DOTOQJQBSA-N 1 0 276.424 3.046 20 10 CGCDRO Cc1nc2c(cccc2CC[NH2+]Cc2c(C)cccc2O)o1 ZINC000896895127 620089839 /nfs/dbraw/zinc/08/98/39/620089839.db2.gz ZVYHBJUZQOWHDH-UHFFFAOYSA-N 1 0 296.370 3.483 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H]2CCS[C@@H](C)C2)c(O)c1 ZINC000896950592 620111719 /nfs/dbraw/zinc/11/17/19/620111719.db2.gz DMQULTPQVLFWKR-WCQYABFASA-N 1 0 251.395 3.074 20 10 CGCDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCCc2cccnc21 ZINC000897071021 620134676 /nfs/dbraw/zinc/13/46/76/620134676.db2.gz SQJUEPLDBJVUEH-OAHLLOKOSA-N 1 0 268.360 3.263 20 10 CGCDRO Cc1noc(C)c1[C@H](C)[NH2+]Cc1cc(C)ccc1O ZINC000073006864 625405425 /nfs/dbraw/zinc/40/54/25/625405425.db2.gz LTNMYDKGUNKPDT-JTQLQIEISA-N 1 0 260.337 3.156 20 10 CGCDRO CCOc1cccc(C[NH2+][C@H](C)c2c(C)noc2C)c1O ZINC000073007041 625405488 /nfs/dbraw/zinc/40/54/88/625405488.db2.gz XQZAONIDAJREQS-SNVBAGLBSA-N 1 0 290.363 3.247 20 10 CGCDRO CO[C@@H](C[NH2+][C@@H]1CCc2cccc(O)c21)CC(C)C ZINC000841756519 620402294 /nfs/dbraw/zinc/40/22/94/620402294.db2.gz WSAUOIVAXROELW-ZIAGYGMSSA-N 1 0 263.381 3.030 20 10 CGCDRO C[C@@H]([NH2+]Cc1c(O)cccc1Cl)c1cncs1 ZINC000897934259 620448375 /nfs/dbraw/zinc/44/83/75/620448375.db2.gz GMXWTJNLLSWCOX-MRVPVSSYSA-N 1 0 268.769 3.353 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H](C)c2cncs2)cc1C ZINC000897935082 620452032 /nfs/dbraw/zinc/45/20/32/620452032.db2.gz RSODIAZZVQUOIL-LLVKDONJSA-N 1 0 262.378 3.316 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2C[C@@H]3CCC[C@@H]23)c1 ZINC000897953944 620454291 /nfs/dbraw/zinc/45/42/91/620454291.db2.gz VPCLOZPPUPWJBO-NILFDRSVSA-N 1 0 261.365 3.069 20 10 CGCDRO C[C@H](Cc1cccnc1)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000897967211 620458651 /nfs/dbraw/zinc/45/86/51/620458651.db2.gz LEWNLBVYENSDEZ-SQRWCISFSA-N 1 0 295.430 3.382 20 10 CGCDRO CN(C)c1ccc(C[NH+]2CC(Cc3ccoc3)C2)cc1 ZINC000898162732 620484477 /nfs/dbraw/zinc/48/44/77/620484477.db2.gz VFJDDEOJMZUSGH-UHFFFAOYSA-N 1 0 270.376 3.020 20 10 CGCDRO CN(C)c1ccc([C@H](N)C[NH2+]C/C=C/c2ccccc2)cc1 ZINC000841043987 620541378 /nfs/dbraw/zinc/54/13/78/620541378.db2.gz SHDYJDTYBANKQZ-MBNRZODZSA-N 1 0 295.430 3.055 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCS[C@@H](C)C2)c1 ZINC000927028481 620564281 /nfs/dbraw/zinc/56/42/81/620564281.db2.gz AIBHCJPGPVULLC-SDDRHHMPSA-N 1 0 281.421 3.336 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+][C@@H]2Cc3ccccc3[C@H]2N)c(O)c1 ZINC000902430592 621315086 /nfs/dbraw/zinc/31/50/86/621315086.db2.gz CLMIBLGAMNRIDB-VVFCZOMOSA-N 1 0 296.414 3.284 20 10 CGCDRO CC[C@H]([NH2+]Cc1cc(N(C)C)ccn1)c1ccccc1O ZINC000903198060 621622964 /nfs/dbraw/zinc/62/29/64/621622964.db2.gz DZBIMLPVCWYZLB-INIZCTEOSA-N 1 0 285.391 3.094 20 10 CGCDRO C[C@@H]([NH2+]CC[C@@H]1CCCC[C@@H]1O)c1ccc(N(C)C)cc1 ZINC000903260950 621647102 /nfs/dbraw/zinc/64/71/02/621647102.db2.gz YRIWJEAQRBZPKA-HFTRVMKXSA-N 1 0 290.451 3.344 20 10 CGCDRO CC[C@@H](C[NH2+][C@@H](C)c1ccccc1O)C(=O)OC(C)(C)C ZINC000903354908 621712398 /nfs/dbraw/zinc/71/23/98/621712398.db2.gz YWTTUXJUBATKGK-STQMWFEESA-N 1 0 293.407 3.411 20 10 CGCDRO C[C@@H](N[C@@H](CC[NH+](C)C)c1cccnc1)c1ccccc1O ZINC000903379695 621722310 /nfs/dbraw/zinc/72/23/10/621722310.db2.gz IBDAQXGKIAFHPX-PBHICJAKSA-N 1 0 299.418 3.131 20 10 CGCDRO Cc1ncccc1CC[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000903415133 621734651 /nfs/dbraw/zinc/73/46/51/621734651.db2.gz HQHLDCXEYVWJJK-LBPRGKRZSA-N 1 0 274.339 3.128 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1COC[C@H]1C1CC1)c1ccc(C)cc1O ZINC000903438197 621747486 /nfs/dbraw/zinc/74/74/86/621747486.db2.gz SRTXJFOEYIPXRX-HRCADAONSA-N 1 0 275.392 3.166 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCOC2CCSCC2)c1 ZINC000903444885 621755283 /nfs/dbraw/zinc/75/52/83/621755283.db2.gz FFKPBUOXULDXTO-ZDUSSCGKSA-N 1 0 295.448 3.263 20 10 CGCDRO Cc1cc(C)nc(CN2CCCc3cc(C[NH3+])ccc32)c1 ZINC000903717070 621795730 /nfs/dbraw/zinc/79/57/30/621795730.db2.gz YVHLQNPZGCMYBL-UHFFFAOYSA-N 1 0 281.403 3.110 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]CCc1ccccc1F ZINC000083458585 625521803 /nfs/dbraw/zinc/52/18/03/625521803.db2.gz KFORIFKJGNIVLK-UHFFFAOYSA-N 1 0 263.287 3.003 20 10 CGCDRO COc1cccc(CNc2ccc(C(C)(C)[NH3+])cc2)c1O ZINC000904471180 621925419 /nfs/dbraw/zinc/92/54/19/621925419.db2.gz ZDOWVGNTIUBAPO-UHFFFAOYSA-N 1 0 286.375 3.207 20 10 CGCDRO CC(C)([NH3+])c1ccc(NCc2ccccc2O)cc1 ZINC000904471072 621925958 /nfs/dbraw/zinc/92/59/58/621925958.db2.gz WMFILKSCTRYLRX-UHFFFAOYSA-N 1 0 256.349 3.198 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2CCC[C@@H](c3ccn(C)n3)C2)cc1C ZINC000905725295 622100332 /nfs/dbraw/zinc/10/03/32/622100332.db2.gz YHVXCHRMWSECIK-OAHLLOKOSA-N 1 0 299.418 3.122 20 10 CGCDRO CCO[C@H]1C[C@@H]([NH2+][C@H](C)c2ccc(C)c(C)c2O)C1 ZINC000840763991 625555594 /nfs/dbraw/zinc/55/55/94/625555594.db2.gz MYSYGDQUDMLIOW-MCIONIFRSA-N 1 0 263.381 3.227 20 10 CGCDRO CCN(CC)C[C@@H](C)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000045692641 622886685 /nfs/dbraw/zinc/88/66/85/622886685.db2.gz ZQTMTPDLEKTORK-HUUCEWRRSA-N 1 0 277.456 3.134 20 10 CGCDRO CCN(CC)C[C@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000045692639 622886908 /nfs/dbraw/zinc/88/69/08/622886908.db2.gz ZQTMTPDLEKTORK-GJZGRUSLSA-N 1 0 277.456 3.134 20 10 CGCDRO CS[C@H]1CC[C@H]([NH2+]Cc2cccc(C)c2O)C1 ZINC000224879894 622889565 /nfs/dbraw/zinc/88/95/65/622889565.db2.gz OAMCRAVNDWRWMW-STQMWFEESA-N 1 0 251.395 3.074 20 10 CGCDRO C[C@@H]([NH2+]CC1(CCO)CC1)c1ccc2ccccc2c1O ZINC000157444533 622906743 /nfs/dbraw/zinc/90/67/43/622906743.db2.gz GQEWXDYZWUBOLT-CYBMUJFWSA-N 1 0 285.387 3.359 20 10 CGCDRO Cc1csc([C@H](C)[NH2+]Cc2cc(F)ccc2O)n1 ZINC000226590741 622987059 /nfs/dbraw/zinc/98/70/59/622987059.db2.gz UZYAONDGYPXOJH-VIFPVBQESA-N 1 0 266.341 3.147 20 10 CGCDRO Cc1cccc(C[NH2+]C[C@]2(N(C)C)CCC[C@H](C)C2)c1O ZINC000158118668 623007565 /nfs/dbraw/zinc/00/75/65/623007565.db2.gz QVUHLHRNVYJQOJ-KSSFIOAISA-N 1 0 290.451 3.301 20 10 CGCDRO CC[C@@H](CCO)[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000168794878 623015997 /nfs/dbraw/zinc/01/59/97/623015997.db2.gz DZFTWMOQTNULBP-JSGCOSHPSA-N 1 0 273.376 3.357 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CC2CCC(O)CC2)cc1 ZINC000227640109 623025462 /nfs/dbraw/zinc/02/54/62/623025462.db2.gz FXSOPJMFNOYMEE-UHFFFAOYSA-N 1 0 290.451 3.174 20 10 CGCDRO CS[C@@H]1CC[C@@H]([NH2+]Cc2c(O)cccc2Cl)C1 ZINC000230698209 623263273 /nfs/dbraw/zinc/26/32/73/623263273.db2.gz RGJOXXVEZKFGQY-NXEZZACHSA-N 1 0 271.813 3.419 20 10 CGCDRO C[C@@H]([NH2+]C[C@H](C)N1CCCCC1)c1ccc(F)cc1[O-] ZINC000062747842 623266405 /nfs/dbraw/zinc/26/64/05/623266405.db2.gz MXURJLWNADMNKE-QWHCGFSZSA-N 1 0 280.387 3.056 20 10 CGCDRO CC[NH+](CC)CCC[N@H+](CC)Cc1cccc(F)c1[O-] ZINC000230745002 623267258 /nfs/dbraw/zinc/26/72/58/623267258.db2.gz IJRMFHLTMDIEEP-UHFFFAOYSA-N 1 0 282.403 3.085 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2C[C@](C)(OC)C2(C)C)c1 ZINC000174136146 623365207 /nfs/dbraw/zinc/36/52/07/623365207.db2.gz QCCSFYVCHZQGFH-WBVHZDCISA-N 1 0 293.407 3.084 20 10 CGCDRO C[C@@H](C[NH2+]Cc1c(O)cccc1Cl)N1CCCCC1 ZINC000083552074 625646127 /nfs/dbraw/zinc/64/61/27/625646127.db2.gz RDLFAMZPVYKXHF-LBPRGKRZSA-N 1 0 282.815 3.010 20 10 CGCDRO Oc1ccc(CC[NH2+]Cc2c(O)cccc2Cl)cc1 ZINC000083552224 625647725 /nfs/dbraw/zinc/64/77/25/625647725.db2.gz PUJPBTPHWXTFFO-UHFFFAOYSA-N 1 0 277.751 3.084 20 10 CGCDRO COc1cccc(C[NH2+][C@H]2CCCCC[C@@H]2C)c1O ZINC000088507133 623462807 /nfs/dbraw/zinc/46/28/07/623462807.db2.gz KHFMOEZWUXCTLT-JSGCOSHPSA-N 1 0 263.381 3.459 20 10 CGCDRO COc1cc(C)cc(C[NH+]2C[C@@H](C)C[C@H](C)C2)c1O ZINC000915791703 624030201 /nfs/dbraw/zinc/03/02/01/624030201.db2.gz DZTAJCBJFLFSJP-STQMWFEESA-N 1 0 263.381 3.187 20 10 CGCDRO Cc1ccc(O)c(C[N@H+](C)CCOc2ccccc2)c1 ZINC000154737201 624349089 /nfs/dbraw/zinc/34/90/89/624349089.db2.gz NZHSDYAOAOYMMS-UHFFFAOYSA-N 1 0 271.360 3.211 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)cc1 ZINC000921495924 624595442 /nfs/dbraw/zinc/59/54/42/624595442.db2.gz JNJNSMXNEOVYFS-IXDOHACOSA-N 1 0 288.435 3.047 20 10 CGCDRO C[C@@H]([NH2+]Cc1cnn(-c2ccccc2)c1)c1ccccc1O ZINC000179902467 624693580 /nfs/dbraw/zinc/69/35/80/624693580.db2.gz OSFIULSLQZIANK-CQSZACIVSA-N 1 0 293.370 3.429 20 10 CGCDRO COc1cccc(C[N@@H+]2Cc3ccccc3C[C@H]2C)c1O ZINC000179910584 624696233 /nfs/dbraw/zinc/69/62/33/624696233.db2.gz MDASHZONKWHTQQ-CYBMUJFWSA-N 1 0 283.371 3.348 20 10 CGCDRO COC[C@H](Cc1ccccc1)[N@H+](C)Cc1ccccc1O ZINC000182033431 624931786 /nfs/dbraw/zinc/93/17/86/624931786.db2.gz ZGTVQDLLUYLIIJ-KRWDZBQOSA-N 1 0 285.387 3.082 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cnc(Cl)s2)c1 ZINC000182467619 625005668 /nfs/dbraw/zinc/00/56/68/625005668.db2.gz RCPQIBODVZCMLU-MRVPVSSYSA-N 1 0 298.795 3.362 20 10 CGCDRO Cc1ccccc1OCC[NH2+][C@H](C)c1ccccc1O ZINC000183459218 625076620 /nfs/dbraw/zinc/07/66/20/625076620.db2.gz BZZFVGKUFNYWPY-CQSZACIVSA-N 1 0 271.360 3.430 20 10 CGCDRO CCc1cnc(CC[NH2+][C@@H](C)c2ccccc2O)s1 ZINC000183535705 625087875 /nfs/dbraw/zinc/08/78/75/625087875.db2.gz NLNFHPJLFGNGHW-NSHDSACASA-N 1 0 276.405 3.304 20 10 CGCDRO Oc1ccc(C[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC000921654415 625809087 /nfs/dbraw/zinc/80/90/87/625809087.db2.gz MMVITHBZQOAQIT-UHFFFAOYSA-N 1 0 269.344 3.007 20 10 CGCDRO c1ccc2c(c1)OC[C@H]2[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921691244 625843458 /nfs/dbraw/zinc/84/34/58/625843458.db2.gz VATJOMMYSPGFOU-MRXNPFEDSA-N 1 0 281.355 3.235 20 10 CGCDRO CS[C@@H]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000921792665 625876812 /nfs/dbraw/zinc/87/68/12/625876812.db2.gz PGIWWENOQPPKNX-LSDHHAIUSA-N 1 0 277.433 3.385 20 10 CGCDRO C[C@@H](Cc1ccncc1)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921818569 625888552 /nfs/dbraw/zinc/88/85/52/625888552.db2.gz QDXFBQDGEFEXRB-AWEZNQCLSA-N 1 0 282.387 3.127 20 10 CGCDRO COC1CCC([NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000922179334 625980166 /nfs/dbraw/zinc/98/01/66/625980166.db2.gz WOSWHBMQJXZLJN-UHFFFAOYSA-N 1 0 275.392 3.059 20 10 CGCDRO COc1cccc(O)c1C[NH2+]C[C@]12C[C@H]1CCCC2 ZINC000922426433 626004599 /nfs/dbraw/zinc/00/45/99/626004599.db2.gz KQQFKAYHDHKYGP-WBMJQRKESA-N 1 0 261.365 3.071 20 10 CGCDRO CCOc1ccc(C[NH2+]C(C)(C)/C=C/Cl)c(O)c1 ZINC000922648520 626025232 /nfs/dbraw/zinc/02/52/32/626025232.db2.gz MSFBSYKVUCOVKN-BQYQJAHWSA-N 1 0 269.772 3.412 20 10 CGCDRO COc1ccc(C[NH2+]C[C@@]2(C)CCCCO2)cc1C ZINC000922817021 626050484 /nfs/dbraw/zinc/05/04/84/626050484.db2.gz MKAKSUGVAXXRMJ-MRXNPFEDSA-N 1 0 263.381 3.052 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)CCS1 ZINC000922833281 626052661 /nfs/dbraw/zinc/05/26/61/626052661.db2.gz FXNLZOYLQRJWOH-IUODEOHRSA-N 1 0 277.433 3.385 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2O)CCS1 ZINC000922843338 626055996 /nfs/dbraw/zinc/05/59/96/626055996.db2.gz QASBUCHZGWTIBR-SKDRFNHKSA-N 1 0 271.813 3.419 20 10 CGCDRO COC[C@@H]([NH2+][C@@H](C)c1ccc(C)cc1O)C(C)C ZINC000086696196 626084603 /nfs/dbraw/zinc/08/46/03/626084603.db2.gz RDJRIRZQNULUJB-GXTWGEPZSA-N 1 0 251.370 3.022 20 10 CGCDRO CC[C@@H]([NH2+][C@H](COC)C(C)C)c1ccccc1O ZINC000086697355 626085301 /nfs/dbraw/zinc/08/53/01/626085301.db2.gz NTYXBEAOQDTKJW-ZIAGYGMSSA-N 1 0 251.370 3.104 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@H](C2CC2)[C@H]2CCCOC2)cc1 ZINC000922894150 626091233 /nfs/dbraw/zinc/09/12/33/626091233.db2.gz YNKBFYKFYSMLNH-FUHWJXTLSA-N 1 0 288.435 3.047 20 10 CGCDRO CC(C)[C@H]([NH2+]Cc1cc(Cl)ccc1O)c1cnn(C)c1 ZINC000922893886 626091234 /nfs/dbraw/zinc/09/12/34/626091234.db2.gz JMGIELUQQZGYIR-HNNXBMFYSA-N 1 0 293.798 3.266 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]C[C@]2(c3ccccc3)CCCO2)c1 ZINC000922959909 626106863 /nfs/dbraw/zinc/10/68/63/626106863.db2.gz INHOXBQQSXXUEE-IBGZPJMESA-N 1 0 297.398 3.496 20 10 CGCDRO CCOCc1cc(C[NH2+][C@]23C[C@H]2CCC3)ccc1OC ZINC000923023332 626119480 /nfs/dbraw/zinc/11/94/80/626119480.db2.gz XWSIYDUDPVNYOP-NVXWUHKLSA-N 1 0 275.392 3.264 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CO[C@@H](C)C1)c1cc(Cl)ccc1O ZINC000842927806 626291935 /nfs/dbraw/zinc/29/19/35/626291935.db2.gz GVKQJZPVFSMLNH-NDMJEZRESA-N 1 0 269.772 3.264 20 10 CGCDRO C[C@H]([NH2+]C[C@H](c1cccs1)N(C)C)c1ccccc1O ZINC000020147607 634492214 /nfs/dbraw/zinc/49/22/14/634492214.db2.gz WWQDQRNFJIQONG-GXTWGEPZSA-N 1 0 290.432 3.407 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1ccn(C)n1)c1cc2c(cc1O)CCCC2 ZINC000840818802 626322024 /nfs/dbraw/zinc/32/20/24/626322024.db2.gz ZSWVKTAODHHYMS-OLZOCXBDSA-N 1 0 299.418 3.416 20 10 CGCDRO CCCN(CCC)c1ccc(C[NH+]2CC(CCO)C2)cc1 ZINC000839140009 626322540 /nfs/dbraw/zinc/32/25/40/626322540.db2.gz IQVFNWVIMITCPP-UHFFFAOYSA-N 1 0 290.451 3.127 20 10 CGCDRO CCOC[C@@H]1CCCC[N@@H+]1Cc1cc(C)c(C)cc1O ZINC000839168422 626324468 /nfs/dbraw/zinc/32/44/68/626324468.db2.gz ANGIGARJYIWBFE-INIZCTEOSA-N 1 0 277.408 3.400 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000839186622 626327619 /nfs/dbraw/zinc/32/76/19/626327619.db2.gz MJMBNWLLWUTIBM-ICCXJUOJSA-N 1 0 251.757 3.324 20 10 CGCDRO CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2ccccc2O)C1(C)C ZINC000839191851 626328526 /nfs/dbraw/zinc/32/85/26/626328526.db2.gz KSPBTUQUYWXLEI-LSDHHAIUSA-N 1 0 277.408 3.464 20 10 CGCDRO C[C@H]1C[NH+](Cc2c(O)ccc3ccncc32)C[C@@H]1C ZINC000751930825 626412276 /nfs/dbraw/zinc/41/22/76/626412276.db2.gz UXDCTYAQDLZEQA-RYUDHWBXSA-N 1 0 256.349 3.028 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C[C@H](SC)C(C)(C)C)c1 ZINC000753569367 626455562 /nfs/dbraw/zinc/45/55/62/626455562.db2.gz LQPMJLGUQJBLFR-AWEZNQCLSA-N 1 0 283.437 3.268 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CC[C@H]2CCOC2)cc1 ZINC000753762559 626464871 /nfs/dbraw/zinc/46/48/71/626464871.db2.gz WDPIPTTWEVOXCU-CABCVRRESA-N 1 0 276.424 3.220 20 10 CGCDRO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1cc(C)cc(C)c1O ZINC000754739750 626585734 /nfs/dbraw/zinc/58/57/34/626585734.db2.gz NWTQREKVBNYTEC-QGZVFWFLSA-N 1 0 299.418 3.388 20 10 CGCDRO CC[C@@H](C)C[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000755986223 626665849 /nfs/dbraw/zinc/66/58/49/626665849.db2.gz SRLRZKNCRGUWSN-CYBMUJFWSA-N 1 0 280.387 3.002 20 10 CGCDRO CC(C)OCCC[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756352662 626695031 /nfs/dbraw/zinc/69/50/31/626695031.db2.gz WDDSYKQPYUGFGZ-AAEUAGOBSA-N 1 0 281.371 3.484 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cn3ccccc3n2)c(O)c1 ZINC000756364379 626697082 /nfs/dbraw/zinc/69/70/82/626697082.db2.gz URXLJILEIPZJDG-CYBMUJFWSA-N 1 0 281.359 3.199 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2nccs2)c2c1c(F)ccc2O ZINC000756443926 626706333 /nfs/dbraw/zinc/70/63/33/626706333.db2.gz WHAISAGHNSUIRJ-PSASIEDQSA-N 1 0 278.352 3.326 20 10 CGCDRO C[C@@H]([NH2+]CCN(C)C1CCCCC1)c1ccc(F)cc1[O-] ZINC000756458737 626706949 /nfs/dbraw/zinc/70/69/49/626706949.db2.gz YARHENDXZCKFFO-CYBMUJFWSA-N 1 0 294.414 3.446 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)Cc2cnccn2)c(O)c1C ZINC000756492754 626709378 /nfs/dbraw/zinc/70/93/78/626709378.db2.gz AJVDPKFFWHJCOI-GXTWGEPZSA-N 1 0 285.391 3.081 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cc(F)ccc1O ZINC000756514127 626711482 /nfs/dbraw/zinc/71/14/82/626711482.db2.gz DZXRETDCAYPLHO-LLVKDONJSA-N 1 0 287.334 3.317 20 10 CGCDRO CCN(CC[NH2+][C@@H](C)c1ccc(C)cc1O)C(C)C ZINC000756526926 626712544 /nfs/dbraw/zinc/71/25/44/626712544.db2.gz UPJHBHDNTTUBJR-AWEZNQCLSA-N 1 0 264.413 3.082 20 10 CGCDRO C[C@@H]([NH2+]C[C@]1(C)CCOC1)c1cc2c(cc1O)CCCC2 ZINC000756574548 626717166 /nfs/dbraw/zinc/71/71/66/626717166.db2.gz NBFLHPYSCBTAKG-ACJLOTCBSA-N 1 0 289.419 3.348 20 10 CGCDRO CC[C@H](C)[C@](C)(O)C[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756579092 626717704 /nfs/dbraw/zinc/71/77/04/626717704.db2.gz YUIMPIJASIRIHP-WYFUGZQLSA-N 1 0 295.398 3.466 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)CC(C)(C)C)c(O)c1C ZINC000756591302 626718795 /nfs/dbraw/zinc/71/87/95/626718795.db2.gz QOVAUUMJFVLCOH-KBPBESRZSA-N 1 0 279.424 3.457 20 10 CGCDRO C[C@H]([NH2+]CCN1CCC[C@H]1C)c1cc(Cl)ccc1O ZINC000756618150 626721249 /nfs/dbraw/zinc/72/12/49/626721249.db2.gz RIJJWHZHAJIMSC-NEPJUHHUSA-N 1 0 282.815 3.181 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)C1CCOCC1 ZINC000756627367 626721318 /nfs/dbraw/zinc/72/13/18/626721318.db2.gz HPMPOTCCWQZOET-NHYWBVRUSA-N 1 0 281.371 3.387 20 10 CGCDRO CCCN(CC)CC[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756638869 626723515 /nfs/dbraw/zinc/72/35/15/626723515.db2.gz WJHVWEOHSLNPTN-GXTWGEPZSA-N 1 0 294.414 3.401 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](CO)c2ccccc2C)c(O)c1 ZINC000756637095 626723531 /nfs/dbraw/zinc/72/35/31/626723531.db2.gz MLTKYGYFCQNXOW-YOEHRIQHSA-N 1 0 285.387 3.393 20 10 CGCDRO CC[C@H](CCO)C[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756646383 626724029 /nfs/dbraw/zinc/72/40/29/626724029.db2.gz MSHVZUFPITZICH-NQBHXWOUSA-N 1 0 281.371 3.078 20 10 CGCDRO C[C@H](C[C@@H]1CCOC1)[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756645719 626724124 /nfs/dbraw/zinc/72/41/24/626724124.db2.gz JJJRHHKNRZPCNL-OPDFLTKYSA-N 1 0 293.382 3.484 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]CCc2cscn2)c2c1c(F)ccc2O ZINC000756660197 626725124 /nfs/dbraw/zinc/72/51/24/626725124.db2.gz KWHVGIXYBGBMQB-SKDRFNHKSA-N 1 0 292.379 3.368 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCSC2)c2c1c(F)ccc2O ZINC000756733454 626728734 /nfs/dbraw/zinc/72/87/34/626728734.db2.gz RGRCWOYGHNIXRT-WCABBAIRSA-N 1 0 267.369 3.175 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCNc2cccc(C)n2)c1 ZINC000756744877 626729314 /nfs/dbraw/zinc/72/93/14/626729314.db2.gz DCSOWMHPHAMYSM-CQSZACIVSA-N 1 0 285.391 3.167 20 10 CGCDRO COCCC1(C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)CC1 ZINC000756762442 626730015 /nfs/dbraw/zinc/73/00/15/626730015.db2.gz ZZINHUSMLHKQLR-AAEUAGOBSA-N 1 0 293.382 3.486 20 10 CGCDRO C[C@@H]([NH2+]Cc1cccc(F)n1)c1cc(Cl)ccc1O ZINC000756768243 626730710 /nfs/dbraw/zinc/73/07/10/626730710.db2.gz KYSDQYJVNVKSSG-SECBINFHSA-N 1 0 280.730 3.431 20 10 CGCDRO CO[C@@H]1CCC[C@@H]1C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756785287 626732071 /nfs/dbraw/zinc/73/20/71/626732071.db2.gz CJZDCHGIKNGMBZ-GPCCPHFNSA-N 1 0 285.334 3.136 20 10 CGCDRO CC(C)[C@@H](O)C1(C[NH2+][C@H](C)c2cc(Cl)ccc2O)CC1 ZINC000756789600 626732487 /nfs/dbraw/zinc/73/24/87/626732487.db2.gz HUSJLBSJULUBEW-IAQYHMDHSA-N 1 0 297.826 3.493 20 10 CGCDRO CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H](C)c2cc(F)ccc2O)C1(C)C ZINC000756792100 626733345 /nfs/dbraw/zinc/73/33/45/626733345.db2.gz XQDQRBZFHXFSRZ-KTJYFRGRSA-N 1 0 281.371 3.241 20 10 CGCDRO CO[C@H](C[NH2+][C@@H](C)c1ccc(C)c(C)c1O)C(F)(F)F ZINC000756835511 626736264 /nfs/dbraw/zinc/73/62/64/626736264.db2.gz NTYVXWYOGDENHP-CMPLNLGQSA-N 1 0 291.313 3.237 20 10 CGCDRO CCN(C)c1ccc(C[NH2+][C@H](C)[C@](C)(OC)C2CC2)cc1 ZINC000839639650 626774374 /nfs/dbraw/zinc/77/43/74/626774374.db2.gz ORXRNBCKLYRQHE-KDOFPFPSSA-N 1 0 290.451 3.436 20 10 CGCDRO COC1CCC(CC[NH2+]Cc2ccccc2O)CC1 ZINC000757986340 626819928 /nfs/dbraw/zinc/81/99/28/626819928.db2.gz SNNYRBYLSKFORO-UHFFFAOYSA-N 1 0 263.381 3.077 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](CO)CC(F)F)c1cc(Cl)ccc1O ZINC000760040577 626937325 /nfs/dbraw/zinc/93/73/25/626937325.db2.gz SQJYEWQDLNJALK-MWLCHTKSSA-N 1 0 293.741 3.102 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2[C@@H](C)[C@H](OC)C2(C)C)cc1C ZINC000761199204 627024716 /nfs/dbraw/zinc/02/47/16/627024716.db2.gz XXVBECLNLFFNGH-WQVCFCJDSA-N 1 0 277.408 3.153 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C(C)(C)c2ccc(C)nc2)c1 ZINC000761225666 627027066 /nfs/dbraw/zinc/02/70/66/627027066.db2.gz KMBOEMLRYAFCMS-UHFFFAOYSA-N 1 0 286.375 3.129 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CC3(CCC3)C[C@@H]2C)c1O ZINC000762145047 627094956 /nfs/dbraw/zinc/09/49/56/627094956.db2.gz SFORZZPGMZKNNB-ZDUSSCGKSA-N 1 0 275.392 3.474 20 10 CGCDRO CC[C@@H]([NH2+][C@H](C)Cc1cnccn1)c1ccc(N(C)C)cc1 ZINC000765439813 627249448 /nfs/dbraw/zinc/24/94/48/627249448.db2.gz LWCGZCAOFUQKJL-RDTXWAMCSA-N 1 0 298.434 3.215 20 10 CGCDRO C[C@H]1C[C@H]([NH2+]CCOCC2CCC2)c2c1c(F)ccc2O ZINC000765805903 627272220 /nfs/dbraw/zinc/27/22/20/627272220.db2.gz ALEFERYAAVSPKX-FZMZJTMJSA-N 1 0 293.382 3.486 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)[C@H](C)OC)cc1F ZINC000765876699 627276610 /nfs/dbraw/zinc/27/66/10/627276610.db2.gz CKTCBDJLXCKXAK-OLZOCXBDSA-N 1 0 282.403 3.185 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCCCN2C2CC2)cc1C ZINC000766226585 627305245 /nfs/dbraw/zinc/30/52/45/627305245.db2.gz SBRUXTIJKIMAKQ-QGZVFWFLSA-N 1 0 288.435 3.116 20 10 CGCDRO CC[C@@H]([NH2+]CCN1CCC[C@H]1C)c1ccc(N(C)C)cc1 ZINC000766274892 627311010 /nfs/dbraw/zinc/31/10/10/627311010.db2.gz WTRYBUBVTCUAJH-CRAIPNDOSA-N 1 0 289.467 3.278 20 10 CGCDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000768143530 627462955 /nfs/dbraw/zinc/46/29/55/627462955.db2.gz LMTBXVTZECEXAG-GFCCVEGCSA-N 1 0 250.361 3.266 20 10 CGCDRO C[C@H]1CCC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000768139527 627463132 /nfs/dbraw/zinc/46/31/32/627463132.db2.gz QWTWOYJIMSYICV-LBPRGKRZSA-N 1 0 250.361 3.124 20 10 CGCDRO CCn1cc(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)cn1 ZINC000768257125 627470969 /nfs/dbraw/zinc/47/09/69/627470969.db2.gz GXVTWSJGLIMCHY-UHFFFAOYSA-N 1 0 298.434 3.134 20 10 CGCDRO CC[C@@H]1CCC[N@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000768438574 627479627 /nfs/dbraw/zinc/47/96/27/627479627.db2.gz CCFXECRWRQPUAX-CYBMUJFWSA-N 1 0 263.381 3.331 20 10 CGCDRO Oc1cc2c(cc1C[NH+]1C3CCC1CC3)CCCC2 ZINC000768440853 627480788 /nfs/dbraw/zinc/48/07/88/627480788.db2.gz GWUDKPHTXPGVSG-UHFFFAOYSA-N 1 0 257.377 3.398 20 10 CGCDRO CCC[N@H+](CCN1CCC(C)CC1)Cc1ccccc1O ZINC000768540658 627485087 /nfs/dbraw/zinc/48/50/87/627485087.db2.gz AMBNFOOABMUQNE-UHFFFAOYSA-N 1 0 290.451 3.336 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)cc1 ZINC000768537119 627485265 /nfs/dbraw/zinc/48/52/65/627485265.db2.gz MNGXCONBYSOTOP-LSDHHAIUSA-N 1 0 276.424 3.142 20 10 CGCDRO CCOc1ccc(C[N@H+](C)Cc2c(C)noc2C)c(O)c1 ZINC000768782707 627499017 /nfs/dbraw/zinc/49/90/17/627499017.db2.gz WQUJXCXDDGFTNX-UHFFFAOYSA-N 1 0 290.363 3.028 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CCC[C@@H](C)CC2)c(O)c1 ZINC000769148728 627525797 /nfs/dbraw/zinc/52/57/97/627525797.db2.gz QJXTWPZQLDAVCK-CYBMUJFWSA-N 1 0 263.381 3.413 20 10 CGCDRO CCOc1ccc(C[N@H+](C)CC2CCCC2)c(O)c1 ZINC000769192341 627530459 /nfs/dbraw/zinc/53/04/59/627530459.db2.gz NXRFMAATFUCKHK-UHFFFAOYSA-N 1 0 263.381 3.413 20 10 CGCDRO CCC[N@@H+](Cc1c(O)cccc1OC)C[C@@H]1CCCCO1 ZINC000769337072 627543665 /nfs/dbraw/zinc/54/36/65/627543665.db2.gz CLWWIBAFMHLTEK-AWEZNQCLSA-N 1 0 293.407 3.182 20 10 CGCDRO COc1cccc(C[N@@H+]2CCCc3sccc3C2)c1O ZINC000769387180 627547782 /nfs/dbraw/zinc/54/77/82/627547782.db2.gz JNRGMFIILMXOKO-UHFFFAOYSA-N 1 0 289.400 3.411 20 10 CGCDRO CN(C)c1ccc(C[NH+]2CCc3ccccc3CC2)cc1 ZINC000769411257 627549937 /nfs/dbraw/zinc/54/99/37/627549937.db2.gz HWXTXKKPHXOCAR-UHFFFAOYSA-N 1 0 280.415 3.353 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H]1Cc1ccccc1 ZINC000769505949 627560941 /nfs/dbraw/zinc/56/09/41/627560941.db2.gz LIMJQVNMLYNJJH-OAHLLOKOSA-N 1 0 283.371 3.218 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](C3CC3)C2)cc1F ZINC000769516996 627562193 /nfs/dbraw/zinc/56/21/93/627562193.db2.gz XXYISPQSYHUEPT-AWEZNQCLSA-N 1 0 262.372 3.124 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CC[C@@H](OCC(C)C)C2)c(O)c1 ZINC000770329200 627613596 /nfs/dbraw/zinc/61/35/96/627613596.db2.gz SGNNZYXZUIACEL-MRXNPFEDSA-N 1 0 293.407 3.038 20 10 CGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@H]2CCCC[C@H]2C)c1O ZINC000771791411 627731914 /nfs/dbraw/zinc/73/19/14/627731914.db2.gz LCPHEVXSFHBWTE-BMIGLBTASA-N 1 0 279.355 3.402 20 10 CGCDRO CSc1cc(C[NH2+]Cc2cc(C)c(C)cc2O)ccn1 ZINC000771892534 627742122 /nfs/dbraw/zinc/74/21/22/627742122.db2.gz CXYODHYOQKIHHD-UHFFFAOYSA-N 1 0 288.416 3.416 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)Cc2[nH]nc3ccccc32)cc1 ZINC000771935152 627746704 /nfs/dbraw/zinc/74/67/04/627746704.db2.gz LAOGOMDXJMVZQT-UHFFFAOYSA-N 1 0 294.402 3.261 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CSc3ccccc32)c1 ZINC000772983782 627837501 /nfs/dbraw/zinc/83/75/01/627837501.db2.gz LWJHARKIHHPXDB-CQSZACIVSA-N 1 0 287.384 3.337 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCS[C@H](C)[C@H]2C)cc1 ZINC000773750925 627910577 /nfs/dbraw/zinc/91/05/77/627910577.db2.gz FPYAWMNUXOSHGV-ZIAGYGMSSA-N 1 0 278.465 3.469 20 10 CGCDRO CCN(C)c1ccc(C[NH+]2CCC(c3ncc[nH]3)CC2)cc1 ZINC000773756825 627911433 /nfs/dbraw/zinc/91/14/33/627911433.db2.gz WADRAUJFBKVSTP-UHFFFAOYSA-N 1 0 298.434 3.245 20 10 CGCDRO CCN(C)c1ccc(CN(C)CC2([NH+](C)C)CCC2)cc1 ZINC000773888846 627924988 /nfs/dbraw/zinc/92/49/88/627924988.db2.gz QZAGWXGFEKFTBG-UHFFFAOYSA-N 1 0 289.467 3.059 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CC(C)(C)OC[C@@H]2C)cc1 ZINC000773887167 627925372 /nfs/dbraw/zinc/92/53/72/627925372.db2.gz CFQGHLHMUQIAOY-AWEZNQCLSA-N 1 0 276.424 3.142 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C[C@H]2CCC=CO2)C2CC2)cc1 ZINC000774834216 628036267 /nfs/dbraw/zinc/03/62/67/628036267.db2.gz DMNCEHCJOZNPLL-GOSISDBHSA-N 1 0 286.419 3.410 20 10 CGCDRO C[C@@H]([NH2+]C[C@H](O)c1ccccc1Cl)c1ccccc1O ZINC000775129633 628066328 /nfs/dbraw/zinc/06/63/28/628066328.db2.gz HJLMGMZOCTXKKB-BZNIZROVSA-N 1 0 291.778 3.430 20 10 CGCDRO CCC[C@]1(COC)CCC[N@@H+]1Cc1cc(F)ccc1O ZINC000775206176 628072558 /nfs/dbraw/zinc/07/25/58/628072558.db2.gz VVYRNODGOWRTNB-MRXNPFEDSA-N 1 0 281.371 3.312 20 10 CGCDRO C[C@H]([NH2+]Cc1cccc2nccn21)c1ccc(N(C)C)cc1 ZINC000775362558 628086508 /nfs/dbraw/zinc/08/65/08/628086508.db2.gz IDAVGWKLRHEMFO-AWEZNQCLSA-N 1 0 294.402 3.251 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)CCCO)c1cc(Cl)ccc1O ZINC000775512726 628102307 /nfs/dbraw/zinc/10/23/07/628102307.db2.gz MEHZHCNVWZAQSO-MFKMUULPSA-N 1 0 271.788 3.247 20 10 CGCDRO CC[C@@H]([NH2+]CCc1cnc(C)s1)c1ccccc1O ZINC000775522040 628103326 /nfs/dbraw/zinc/10/33/26/628103326.db2.gz HXLBQKRFMXIMCW-CQSZACIVSA-N 1 0 276.405 3.441 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+]CCOC(C)(C)C)c1O ZINC000776118352 628170432 /nfs/dbraw/zinc/17/04/32/628170432.db2.gz ICUBJUFZVQLIGW-UHFFFAOYSA-N 1 0 271.788 3.259 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+][C@@H](C)Cc2ccncc2)c1O ZINC000776222234 628182431 /nfs/dbraw/zinc/18/24/31/628182431.db2.gz JKTDVNCDHIQVES-LBPRGKRZSA-N 1 0 290.794 3.470 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@H](C)CCc2ccc(C)o2)c1 ZINC000776221006 628182557 /nfs/dbraw/zinc/18/25/57/628182557.db2.gz SLXVKZDUKAMZMW-GFCCVEGCSA-N 1 0 289.375 3.413 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+]Cc2ccc(F)cn2)c1O ZINC000776251681 628184551 /nfs/dbraw/zinc/18/45/51/628184551.db2.gz SUJGQPPSSGICQW-UHFFFAOYSA-N 1 0 280.730 3.178 20 10 CGCDRO CO[C@@H]1[C@H](C)[C@H]([NH2+]Cc2cc(C)c(C)cc2O)C1(C)C ZINC000776497252 628214392 /nfs/dbraw/zinc/21/43/92/628214392.db2.gz DBQHUVICSNFUOV-UHOFOFEASA-N 1 0 277.408 3.158 20 10 CGCDRO CCCCN(C)C[C@@H](C)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000810244953 628243201 /nfs/dbraw/zinc/24/32/01/628243201.db2.gz LHESSQSVTRQRBD-CHWSQXEVSA-N 1 0 282.403 3.302 20 10 CGCDRO COc1ccc(C[NH2+]CC[C@](C)(O)c2ccccc2)cc1C ZINC000778214503 628334772 /nfs/dbraw/zinc/33/47/72/628334772.db2.gz UZVGYRQFTZRVCH-IBGZPJMESA-N 1 0 299.414 3.391 20 10 CGCDRO CN(Cc1ccccc1O)C(C)(C)C[NH+]1CCCCCC1 ZINC000779190786 628393290 /nfs/dbraw/zinc/39/32/90/628393290.db2.gz BETAGACLRWYRLE-UHFFFAOYSA-N 1 0 290.451 3.479 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)ccc2O)CC[C@H]1O ZINC000779199143 628393728 /nfs/dbraw/zinc/39/37/28/628393728.db2.gz UWQDSZXCFDFVDE-RDTXWAMCSA-N 1 0 297.398 3.262 20 10 CGCDRO CC(C)(C)[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C[C@H]1O ZINC000779432242 628413356 /nfs/dbraw/zinc/41/33/56/628413356.db2.gz PQLMPRHVHGSJDG-UKRRQHHQSA-N 1 0 297.826 3.275 20 10 CGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H](OC(F)F)C1)CCC2 ZINC000781150011 628541760 /nfs/dbraw/zinc/54/17/60/628541760.db2.gz PNOZQCKIAFELOH-AWEZNQCLSA-N 1 0 297.345 3.085 20 10 CGCDRO CCn1nc(C)c(C[NH2+][C@H](C)c2ccccc2O)c1C ZINC000783506639 628719766 /nfs/dbraw/zinc/71/97/66/628719766.db2.gz SGCCRLSFBIROCR-LLVKDONJSA-N 1 0 273.380 3.076 20 10 CGCDRO CCC1(O)CCC([NH2+][C@@H](C)c2ccccc2O)CC1 ZINC000783518929 628720721 /nfs/dbraw/zinc/72/07/21/628720721.db2.gz FUMMDZPGOZAIAD-FUJMWEONSA-N 1 0 263.381 3.127 20 10 CGCDRO C[C@H]([NH2+]CC[C@@H]1COc2ccccc2O1)c1ccccc1O ZINC000783519813 628720879 /nfs/dbraw/zinc/72/08/79/628720879.db2.gz UHSLKKVUHZBLTD-UONOGXRCSA-N 1 0 299.370 3.273 20 10 CGCDRO C[C@H]1C[C@H](CC[NH2+]Cc2cc(Cl)ccc2O)CCO1 ZINC000784643679 628826941 /nfs/dbraw/zinc/82/69/41/628826941.db2.gz NRFQYZMATKPUGL-NWDGAFQWSA-N 1 0 283.799 3.340 20 10 CGCDRO CCOc1ccc(C[NH2+]CC[C@H]2CCO[C@H](C)C2)c(O)c1 ZINC000784647059 628827058 /nfs/dbraw/zinc/82/70/58/628827058.db2.gz NLOPSQWQULBZKO-KGLIPLIRSA-N 1 0 293.407 3.086 20 10 CGCDRO CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000786821447 628965056 /nfs/dbraw/zinc/96/50/56/628965056.db2.gz MPFZFCBDNCFALH-AUUYWEPGSA-N 1 0 297.398 3.487 20 10 CGCDRO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]Cc1ccccc1O ZINC000786819912 628965442 /nfs/dbraw/zinc/96/54/42/628965442.db2.gz CKWJNYIJBYOUAQ-DYVFJYSZSA-N 1 0 271.360 3.258 20 10 CGCDRO CCOC(CC[NH2+][C@@H](C)c1ccc(C)c(C)c1O)OCC ZINC000786970714 628973443 /nfs/dbraw/zinc/97/34/43/628973443.db2.gz MYXMEFPVNLJVRI-AWEZNQCLSA-N 1 0 295.423 3.449 20 10 CGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H]2CCC[C@@H]2C)c1O ZINC000787994707 629038307 /nfs/dbraw/zinc/03/83/07/629038307.db2.gz KTMOMCNAJRTDSF-LKFCYVNXSA-N 1 0 265.328 3.012 20 10 CGCDRO CSC1(C[NH2+]Cc2ccc(N(C)C)c(F)c2)CCC1 ZINC000788524361 629062339 /nfs/dbraw/zinc/06/23/39/629062339.db2.gz LJNCJTROUHYIML-UHFFFAOYSA-N 1 0 282.428 3.267 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCC(=O)OC(C)(C)C)c(O)c1 ZINC000788608473 629069238 /nfs/dbraw/zinc/06/92/38/629069238.db2.gz GBSBPYSVYRLJFN-CYBMUJFWSA-N 1 0 293.407 3.391 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCOCC2CCC2)c(O)c1 ZINC000788751680 629078671 /nfs/dbraw/zinc/07/86/71/629078671.db2.gz SPGWXARXORBXQL-AWEZNQCLSA-N 1 0 277.408 3.476 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCOC(F)(F)F)cc1 ZINC000788980397 629093241 /nfs/dbraw/zinc/09/32/41/629093241.db2.gz MYKJWQVXADTBPD-LLVKDONJSA-N 1 0 290.329 3.330 20 10 CGCDRO CC(C)[N@H+](CCC[C@H](C)O)Cc1ccc(N(C)C)cc1 ZINC000789310780 629122981 /nfs/dbraw/zinc/12/29/81/629122981.db2.gz VRAPEEACWWKINZ-HNNXBMFYSA-N 1 0 278.440 3.124 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)c1 ZINC000789518414 629141737 /nfs/dbraw/zinc/14/17/37/629141737.db2.gz YPURXXPSVDKGPX-JKSUJKDBSA-N 1 0 275.392 3.152 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCC2CCOCC2)c1 ZINC000790324601 629205876 /nfs/dbraw/zinc/20/58/76/629205876.db2.gz KINWDVFJNGUTEK-CYBMUJFWSA-N 1 0 293.407 3.258 20 10 CGCDRO CCn1ccc(C[N@H+](C)Cc2cc(C)c(C)cc2O)c1 ZINC000790451719 629211557 /nfs/dbraw/zinc/21/15/57/629211557.db2.gz PVAPWLSGJHENPZ-UHFFFAOYSA-N 1 0 272.392 3.462 20 10 CGCDRO C[C@@H]1CCSCC[N@@H+]1Cc1cc2c(cc1O)CCC2 ZINC000790476327 629212265 /nfs/dbraw/zinc/21/22/65/629212265.db2.gz DQESAEDJIRQGAL-GFCCVEGCSA-N 1 0 277.433 3.208 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCSC2)c(O)c1C ZINC000790495819 629213735 /nfs/dbraw/zinc/21/37/35/629213735.db2.gz BUKAUOMQRVVPCV-OLZOCXBDSA-N 1 0 265.422 3.413 20 10 CGCDRO CCn1ccc(C[N@H+](C)Cc2cc(C)ccc2O)c1 ZINC000792182935 629346143 /nfs/dbraw/zinc/34/61/43/629346143.db2.gz HVEOGXWODFSIHL-UHFFFAOYSA-N 1 0 258.365 3.154 20 10 CGCDRO COCC[N@H+](Cc1cccc(OC)c1O)[C@@H]1CC[C@H](C)C1 ZINC000792192822 629346959 /nfs/dbraw/zinc/34/69/59/629346959.db2.gz NZUNXUBAKHTSOM-DZGCQCFKSA-N 1 0 293.407 3.038 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2Cc3ccc(O)cc3C2)cc1C ZINC000862449834 629380565 /nfs/dbraw/zinc/38/05/65/629380565.db2.gz KPUXHBUMSZYXLY-UHFFFAOYSA-N 1 0 269.344 3.230 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)C2CCSCC2)c1 ZINC000862478187 629383840 /nfs/dbraw/zinc/38/38/40/629383840.db2.gz DQTIEIBIKACCRD-LBPRGKRZSA-N 1 0 265.422 3.322 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)cc1Cl ZINC000862529540 629391291 /nfs/dbraw/zinc/39/12/91/629391291.db2.gz MMPQFUIRHVUDMI-SWLSCSKDSA-N 1 0 281.783 3.011 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)c1O ZINC000862530240 629392077 /nfs/dbraw/zinc/39/20/77/629392077.db2.gz XHJUYUFVIDLJFU-ZIAGYGMSSA-N 1 0 281.783 3.011 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CCCC2(CC2)CC1 ZINC000862538771 629394508 /nfs/dbraw/zinc/39/45/08/629394508.db2.gz FKKJOKBTCUFINM-UHFFFAOYSA-N 1 0 261.365 3.167 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCc2ccc3c[nH]nc3c2)c(O)c1 ZINC000793569393 629486032 /nfs/dbraw/zinc/48/60/32/629486032.db2.gz NQVASEPYLFTKDQ-CYBMUJFWSA-N 1 0 295.386 3.470 20 10 CGCDRO CC[C@@H]([NH2+]CCN(CC)CC)c1ccc(C)cc1O ZINC000794795196 629577663 /nfs/dbraw/zinc/57/76/63/629577663.db2.gz OVLUKIGTLAGAQH-OAHLLOKOSA-N 1 0 264.413 3.083 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccccc1CO)c1ccc(C)cc1O ZINC000794801686 629578425 /nfs/dbraw/zinc/57/84/25/629578425.db2.gz JYGDTKOQVXPEDK-KRWDZBQOSA-N 1 0 285.387 3.434 20 10 CGCDRO CCOC[C@H](C)[NH2+][C@H](CC)c1ccc(C)cc1O ZINC000794816865 629581171 /nfs/dbraw/zinc/58/11/71/629581171.db2.gz RKKWBICLVQXVLM-GXTWGEPZSA-N 1 0 251.370 3.166 20 10 CGCDRO CC[C@@H]([NH2+]Cc1nnc(C)s1)c1ccc(C)cc1O ZINC000794820035 629581898 /nfs/dbraw/zinc/58/18/98/629581898.db2.gz ZYMWAJARLFDOOL-GFCCVEGCSA-N 1 0 277.393 3.101 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H](C)N(CC)CC)c1ccc(C)cc1O ZINC000794830540 629583133 /nfs/dbraw/zinc/58/31/33/629583133.db2.gz KDGLAOOGNDHTJQ-GDBMZVCRSA-N 1 0 278.440 3.472 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+][C@@H](CO)CC2CCC2)c2c1c(F)ccc2O ZINC000794833876 629584840 /nfs/dbraw/zinc/58/48/40/629584840.db2.gz MIPGTCWZWZPKOA-MPKXVKKWSA-N 1 0 293.382 3.220 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)N[C@H]2CC[C@H](C)[NH2+]C2)c1O ZINC000863548291 629603894 /nfs/dbraw/zinc/60/38/94/629603894.db2.gz WVSWOXVSZOIVBK-GVXVVHGQSA-N 1 0 282.815 3.145 20 10 CGCDRO CCOC1CC(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000796011460 629734921 /nfs/dbraw/zinc/73/49/21/629734921.db2.gz LHMKCXNDPBIQRM-TUBUQKNSSA-N 1 0 276.424 3.218 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]CCC2=CCCC2)c1 ZINC000120144629 629877946 /nfs/dbraw/zinc/87/79/46/629877946.db2.gz AOOXMDRHZBFCNX-UHFFFAOYSA-N 1 0 261.365 3.381 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCOC[C@@H]2C)c2c1c(F)ccc2O ZINC000797077087 629881829 /nfs/dbraw/zinc/88/18/29/629881829.db2.gz CDTPTRBFBGTIHD-UHXUPSOCSA-N 1 0 293.382 3.342 20 10 CGCDRO CCCN1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000797116733 629891098 /nfs/dbraw/zinc/89/10/98/629891098.db2.gz YBRUIZOMTAZXHH-GJZGRUSLSA-N 1 0 276.424 3.226 20 10 CGCDRO CCOc1ccc(C[NH2+]CC[C@@H]2CCSC2)c(O)c1 ZINC000865654000 630254651 /nfs/dbraw/zinc/25/46/51/630254651.db2.gz FBZPIUFNAHQRHY-GFCCVEGCSA-N 1 0 281.421 3.024 20 10 CGCDRO CN1CCCc2cc(C[NH2+][C@@H]3CCC34CCC4)ccc21 ZINC000800473619 630283229 /nfs/dbraw/zinc/28/32/29/630283229.db2.gz BSCCHBOETPMGOD-QGZVFWFLSA-N 1 0 270.420 3.491 20 10 CGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@@H](C)COC(C)C ZINC000800525329 630290910 /nfs/dbraw/zinc/29/09/10/630290910.db2.gz UDLJQRXHQSKJNV-AWEZNQCLSA-N 1 0 264.413 3.175 20 10 CGCDRO c1cc(C[NH2+][C@@H]2CC[C@H]2C2CCC2)cc2c1OCC2 ZINC000800968863 630314264 /nfs/dbraw/zinc/31/42/64/630314264.db2.gz DMIISSJBGJYCRX-JKSUJKDBSA-N 1 0 257.377 3.290 20 10 CGCDRO CN1CCCc2cc(C[NH2+][C@H]3CC[C@H]3C3CC3)ccc21 ZINC000806134746 630546324 /nfs/dbraw/zinc/54/63/24/630546324.db2.gz BNTGOVQQCZGZQX-IRXDYDNUSA-N 1 0 270.420 3.347 20 10 CGCDRO c1csc(SCCC[NH2+][C@@H]2CC[C@@H]2C2CC2)n1 ZINC000806140041 630547657 /nfs/dbraw/zinc/54/76/57/630547657.db2.gz FYIMOVQCQOSMTM-VXGBXAGGSA-N 1 0 268.451 3.404 20 10 CGCDRO COc1cc(C[N@@H+]2CC[C@H](F)C2)c(O)c(C(C)(C)C)c1 ZINC000840107829 630596651 /nfs/dbraw/zinc/59/66/51/630596651.db2.gz ZCIPPPKLAQLTFD-LBPRGKRZSA-N 1 0 281.371 3.242 20 10 CGCDRO CCOc1ccc(C[NH2+]CCSC(C)C)c(O)c1 ZINC000808420161 630642974 /nfs/dbraw/zinc/64/29/74/630642974.db2.gz YITBLMFVWNRMEW-UHFFFAOYSA-N 1 0 269.410 3.022 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCC2(F)CCC2)cc1C ZINC000808426514 630643716 /nfs/dbraw/zinc/64/37/16/630643716.db2.gz DKSMSEOSMMTTBC-UHFFFAOYSA-N 1 0 251.345 3.381 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCCn2cccn2)c1O ZINC000808673543 630662873 /nfs/dbraw/zinc/66/28/73/630662873.db2.gz DXBDPRQCHQDHNU-LBPRGKRZSA-N 1 0 293.798 3.291 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@](C)(O)C2CC2)c1O ZINC000808694321 630665128 /nfs/dbraw/zinc/66/51/28/630665128.db2.gz BTKMNLKQFOTDBC-MEBBXXQBSA-N 1 0 283.799 3.166 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](CO)C(C)C)c1O ZINC000808699973 630666560 /nfs/dbraw/zinc/66/65/60/630666560.db2.gz ADTYIMIZHYJZDY-ZWNOBZJWSA-N 1 0 271.788 3.022 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CC[C@H]2CCOC2)c1O ZINC000808714034 630669640 /nfs/dbraw/zinc/66/96/40/630669640.db2.gz RNPBSUBZJKUVMZ-RYUDHWBXSA-N 1 0 283.799 3.431 20 10 CGCDRO CCCCN(C)C[C@@H](C)[NH2+]Cc1cc(OCC)ccc1O ZINC000810162980 630848992 /nfs/dbraw/zinc/84/89/92/630848992.db2.gz HRODFLCLJUKURR-CQSZACIVSA-N 1 0 294.439 3.001 20 10 CGCDRO CC[C@H]([NH2+]CC[C@H](C)O)c1ccc(C(F)(F)F)cc1O ZINC000810219503 630856105 /nfs/dbraw/zinc/85/61/05/630856105.db2.gz SZEATVVYFHUIIJ-CABZTGNLSA-N 1 0 291.313 3.223 20 10 CGCDRO CC[C@@H](C[NH2+][C@H](C)c1ccc(N(C)CC)cc1)OC ZINC000810257858 630860109 /nfs/dbraw/zinc/86/01/09/630860109.db2.gz IGXSCFJWQTXHAP-CJNGLKHVSA-N 1 0 264.413 3.218 20 10 CGCDRO CCCN(CC)C[C@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000810264214 630862175 /nfs/dbraw/zinc/86/21/75/630862175.db2.gz YRKOTEMBSKPCNS-KBPBESRZSA-N 1 0 264.413 3.163 20 10 CGCDRO CCCC[C@H](C)[N@H+](C)Cc1c(O)cccc1OC ZINC000811520024 631083627 /nfs/dbraw/zinc/08/36/27/631083627.db2.gz ITGQLXPCNKIZCF-LBPRGKRZSA-N 1 0 251.370 3.411 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CCC(F)(F)[C@H](C)C2)c1O ZINC000811781091 631119507 /nfs/dbraw/zinc/11/95/07/631119507.db2.gz UNJGMFZKIOJNGY-LLVKDONJSA-N 1 0 285.334 3.186 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](n3cccn3)C2)cc1C(C)C ZINC000812294519 631236574 /nfs/dbraw/zinc/23/65/74/631236574.db2.gz OXTUQPGULBZZFX-MRXNPFEDSA-N 1 0 299.418 3.468 20 10 CGCDRO CCN(CC)c1ccc(C[NH+]2CC(C3CC3)C2)cc1 ZINC000812775388 631305489 /nfs/dbraw/zinc/30/54/89/631305489.db2.gz LQZLSISVYOIQKX-UHFFFAOYSA-N 1 0 258.409 3.375 20 10 CGCDRO COc1ccc(C[N@H+](C)Cc2c(C)cccc2O)cc1 ZINC000876532227 634852288 /nfs/dbraw/zinc/85/22/88/634852288.db2.gz ZWZRALBANIIAOV-UHFFFAOYSA-N 1 0 271.360 3.341 20 10 CGCDRO CC[C@H]([NH2+]CC(C)(C)COC)c1ccc(C)cc1O ZINC000813883988 631476768 /nfs/dbraw/zinc/47/67/68/631476768.db2.gz YYHIWJRGXOWDLM-AWEZNQCLSA-N 1 0 265.397 3.414 20 10 CGCDRO CC(C)[C@@H]1[N@H+](Cc2cc3c(cc2O)OCO3)CC12CCC2 ZINC000814170738 631537110 /nfs/dbraw/zinc/53/71/10/631537110.db2.gz CSEMWISLGQHJLD-INIZCTEOSA-N 1 0 289.375 3.131 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2Cc3ccccc3O[C@H](C)C2)c1 ZINC000814177668 631537855 /nfs/dbraw/zinc/53/78/55/631537855.db2.gz LIMPHDAWLVAZCD-CQSZACIVSA-N 1 0 283.371 3.484 20 10 CGCDRO COc1cccc(O)c1C[NH+]1CCC(C2CC2)CC1 ZINC000814172549 631538063 /nfs/dbraw/zinc/53/80/63/631538063.db2.gz RXBJLZMEACJSCJ-UHFFFAOYSA-N 1 0 261.365 3.023 20 10 CGCDRO Cc1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)C2)ccc1N(C)C ZINC000815079226 631712939 /nfs/dbraw/zinc/71/29/39/631712939.db2.gz NRECPYPDIKQNTC-CYBMUJFWSA-N 1 0 286.341 3.445 20 10 CGCDRO Cc1cc(C[N@@H+]([C@@H](C)CO)C2CCCC2)ccc1N(C)C ZINC000815098199 631716702 /nfs/dbraw/zinc/71/67/02/631716702.db2.gz CRFYNGFAHYAODM-HNNXBMFYSA-N 1 0 290.451 3.186 20 10 CGCDRO CCN(C)c1ccc(C[N@H+]([C@H](C)CO)C2CCCC2)cc1 ZINC000815099716 631716839 /nfs/dbraw/zinc/71/68/39/631716839.db2.gz YXFDMNRREUQWRO-OAHLLOKOSA-N 1 0 290.451 3.268 20 10 CGCDRO Cc1cc(C[N@@H+]2CCS[C@@H](C)CC2)ccc1N(C)C ZINC000815101770 631717483 /nfs/dbraw/zinc/71/74/83/631717483.db2.gz ANOZTROCZOFDQG-AWEZNQCLSA-N 1 0 278.465 3.388 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@H]2c2cc[nH]n2)cc1 ZINC000815104799 631717599 /nfs/dbraw/zinc/71/75/99/631717599.db2.gz VLDSPDWKFRIYAH-KRWDZBQOSA-N 1 0 284.407 3.203 20 10 CGCDRO CO[C@H](C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O)C1CC1 ZINC000815651343 631812422 /nfs/dbraw/zinc/81/24/22/631812422.db2.gz QITSCNGXKVZPKF-IINYFYTJSA-N 1 0 283.799 3.430 20 10 CGCDRO CO[C@H]1CCC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816491166 631991184 /nfs/dbraw/zinc/99/11/84/631991184.db2.gz AWCCSAZSDGABCU-HNNXBMFYSA-N 1 0 271.360 3.156 20 10 CGCDRO COC[C@H]1CCC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816509477 631997408 /nfs/dbraw/zinc/99/74/08/631997408.db2.gz RHINIZLZOCGFGJ-AWEZNQCLSA-N 1 0 285.387 3.404 20 10 CGCDRO C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1ccc2ccccc2c1O ZINC000816513206 632000662 /nfs/dbraw/zinc/00/06/62/632000662.db2.gz JWKZZCFUQSCTMM-CJNGLKHVSA-N 1 0 285.387 3.281 20 10 CGCDRO Oc1c(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)ccc2ccccc21 ZINC000816516833 632002464 /nfs/dbraw/zinc/00/24/64/632002464.db2.gz SNPCDCLAZAKWPK-DOTOQJQBSA-N 1 0 297.398 3.404 20 10 CGCDRO Cc1nn(C)c(C)c1C[NH2+]Cc1ccc2ccccc2c1O ZINC000816545892 632007786 /nfs/dbraw/zinc/00/77/86/632007786.db2.gz MKNAZRYXBUPCOE-UHFFFAOYSA-N 1 0 295.386 3.186 20 10 CGCDRO CO[C@@H](C[NH2+]Cc1ccc2ccccc2c1O)C(C)C ZINC000816553674 632010551 /nfs/dbraw/zinc/01/05/51/632010551.db2.gz DDANUXHWSHMGCQ-INIZCTEOSA-N 1 0 273.376 3.306 20 10 CGCDRO COCCC1(C[NH2+]Cc2ccc3ccccc3c2O)CC1 ZINC000816557278 632011462 /nfs/dbraw/zinc/01/14/62/632011462.db2.gz KMHSEZGHWAPPFC-UHFFFAOYSA-N 1 0 285.387 3.452 20 10 CGCDRO C[C@H]1C[C@H]([NH2+]Cc2ccc3ccccc3c2O)CCO1 ZINC000816559021 632011510 /nfs/dbraw/zinc/01/15/10/632011510.db2.gz VAHLJFDVQVMXGD-SWLSCSKDSA-N 1 0 271.360 3.203 20 10 CGCDRO C[C@H]1CCC[C@]1(O)C[NH2+]Cc1ccc2ccccc2c1O ZINC000816660523 632038931 /nfs/dbraw/zinc/03/89/31/632038931.db2.gz HJIDZAKLYHEUHC-UGSOOPFHSA-N 1 0 285.387 3.186 20 10 CGCDRO C[C@H]1CCC[C@@]1(O)C[NH2+]Cc1ccc2ccccc2c1O ZINC000816660522 632039522 /nfs/dbraw/zinc/03/95/22/632039522.db2.gz HJIDZAKLYHEUHC-SCLBCKFNSA-N 1 0 285.387 3.186 20 10 CGCDRO CCOc1ccc(C[NH2+]Cc2cc(C)nc(C)c2)c(O)c1 ZINC000817411637 632142087 /nfs/dbraw/zinc/14/20/87/632142087.db2.gz TXYSITWBICUVKN-UHFFFAOYSA-N 1 0 286.375 3.093 20 10 CGCDRO CC[C@@H]1C[C@H]([NH2+]Cc2c(O)cc(C)cc2Cl)CCO1 ZINC000817414762 632145032 /nfs/dbraw/zinc/14/50/32/632145032.db2.gz JQQZHQWCFWGXQN-VXGBXAGGSA-N 1 0 283.799 3.401 20 10 CGCDRO CN1CCC[C@@H]1C[N@H+](C)Cc1ccc2ccccc2c1O ZINC000817417513 632146880 /nfs/dbraw/zinc/14/68/80/632146880.db2.gz OQOIRVUTHMBQGY-MRXNPFEDSA-N 1 0 284.403 3.071 20 10 CGCDRO COC1([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2)CCCC1 ZINC000817575637 632185909 /nfs/dbraw/zinc/18/59/09/632185909.db2.gz IVTZGYNSHCIZOG-CQSZACIVSA-N 1 0 276.424 3.190 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)c2cnccc2N)cc1 ZINC000817889766 632229090 /nfs/dbraw/zinc/22/90/90/632229090.db2.gz VMVMVCWEOVHHHG-CQSZACIVSA-N 1 0 298.434 3.191 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)cc1 ZINC000817938679 632239248 /nfs/dbraw/zinc/23/92/48/632239248.db2.gz PLYJKAKVEXSMIP-HNAYVOBHSA-N 1 0 297.446 3.412 20 10 CGCDRO CN(C)c1ccc([C@@H](N)C[NH2+][C@@H]2CCc3ccccc32)cc1 ZINC000817938895 632239354 /nfs/dbraw/zinc/23/93/54/632239354.db2.gz VFBAKPXUFXFHIS-RBUKOAKNSA-N 1 0 295.430 3.030 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H](N)c1ccccc1)c1ccccc1O ZINC000817954489 632249433 /nfs/dbraw/zinc/24/94/33/632249433.db2.gz DHSKFGLBLAJXCY-JKSUJKDBSA-N 1 0 270.376 3.133 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](N)c2ccccc2)c(O)c1 ZINC000817955587 632250352 /nfs/dbraw/zinc/25/03/52/632250352.db2.gz ZMUCBXNVSALKNJ-GDBMZVCRSA-N 1 0 284.403 3.360 20 10 CGCDRO Cc1ccc2c(c1)CC[C@@H]2[NH2+]CCc1ccc(N)cc1 ZINC000817955673 632250427 /nfs/dbraw/zinc/25/04/27/632250427.db2.gz FFWXGGYWVACSCG-SFHVURJKSA-N 1 0 266.388 3.397 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCc2ccc(N)cc2)c(O)c1 ZINC000817957595 632252130 /nfs/dbraw/zinc/25/21/30/632252130.db2.gz MYZXSUYQIJJZRF-CQSZACIVSA-N 1 0 284.403 3.485 20 10 CGCDRO CC[C@H]([NH2+]CCc1ccc(N)cc1)c1ccc(F)cn1 ZINC000817957350 632252438 /nfs/dbraw/zinc/25/24/38/632252438.db2.gz LDRQIFVQYSYSHH-HNNXBMFYSA-N 1 0 273.355 3.086 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1cccc(Cl)c1[O-] ZINC000817970218 632263016 /nfs/dbraw/zinc/26/30/16/632263016.db2.gz OQZANPSQUQPFQM-SWHYSGLUSA-N 1 0 282.815 3.084 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)CCC[NH3+])c1cccc(Cl)c1[O-] ZINC000817977438 632268653 /nfs/dbraw/zinc/26/86/53/632268653.db2.gz KJFUYHNCMHYVJR-GWCFXTLKSA-N 1 0 270.804 3.214 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cncn1C(C)C ZINC000818187793 632295094 /nfs/dbraw/zinc/29/50/94/632295094.db2.gz CKWKQSINQLVRLW-UHFFFAOYSA-N 1 0 286.423 3.128 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1)C1CC1 ZINC000818345265 632311744 /nfs/dbraw/zinc/31/17/44/632311744.db2.gz SPCJZWHTYPEIRK-RDTXWAMCSA-N 1 0 288.435 3.300 20 10 CGCDRO COc1ccc(N2CC[C@@H](CNc3cccc(C)[nH+]3)C2)cc1 ZINC000819933917 632541375 /nfs/dbraw/zinc/54/13/75/632541375.db2.gz ANCWSXLCRSPDNI-HNNXBMFYSA-N 1 0 297.402 3.337 20 10 CGCDRO COc1ccc(C[NH2+]Cc2c(F)cc(C)cc2F)c(O)c1 ZINC000822476637 632938907 /nfs/dbraw/zinc/93/89/07/632938907.db2.gz RLCWMBPLLRSFEJ-UHFFFAOYSA-N 1 0 293.313 3.277 20 10 CGCDRO CC[C@H]([NH2+]CC[C@@H](O)C(F)F)c1cc(Cl)ccc1O ZINC000866442466 633133520 /nfs/dbraw/zinc/13/35/20/633133520.db2.gz MIYBDJQFZIXWBO-CMPLNLGQSA-N 1 0 293.741 3.102 20 10 CGCDRO C[C@H]([NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23)c1cc(Cl)ccc1O ZINC000866446620 633135814 /nfs/dbraw/zinc/13/58/14/633135814.db2.gz VYYCMPKICFXTNA-RFEWNFQQSA-N 1 0 293.794 3.120 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]CC[C@H]2CCCS2)c1O ZINC000866481015 633153445 /nfs/dbraw/zinc/15/34/45/633153445.db2.gz NFGWMSPODXEKSF-NWDGAFQWSA-N 1 0 281.421 3.337 20 10 CGCDRO C[C@H]([NH2+][C@@H](C1CCC1)[C@H]1CCCO1)c1ccccc1O ZINC000866491757 633160387 /nfs/dbraw/zinc/16/03/87/633160387.db2.gz XZHUVAJLAJPWEG-VUCTXSBTSA-N 1 0 275.392 3.391 20 10 CGCDRO CC[C@@H]([NH2+]Cc1nn(C)cc1C(F)F)c1ccccc1O ZINC000866566353 633197340 /nfs/dbraw/zinc/19/73/40/633197340.db2.gz ZMCDCDDNCSLURW-GFCCVEGCSA-N 1 0 295.333 3.304 20 10 CGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@H]1CSC[C@H]1C ZINC000824291158 633224408 /nfs/dbraw/zinc/22/44/08/633224408.db2.gz BDRWCUQHQAAZSY-DOMZBBRYSA-N 1 0 264.438 3.113 20 10 CGCDRO C[C@@H]([NH2+]CC[C@@H](O)C1CCCC1)c1cc(F)ccc1O ZINC000866639276 633226960 /nfs/dbraw/zinc/22/69/60/633226960.db2.gz XLRORJOUAZLLNY-IAQYHMDHSA-N 1 0 281.371 3.123 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@](C)(F)C2)cc1C ZINC000824471912 633249032 /nfs/dbraw/zinc/24/90/32/633249032.db2.gz IOJZVDIOBIAJEI-HNNXBMFYSA-N 1 0 251.345 3.333 20 10 CGCDRO C[C@@H](CCCCO)[NH2+]Cc1ccc2ccccc2c1O ZINC000824654954 633269623 /nfs/dbraw/zinc/26/96/23/633269623.db2.gz SKSXJXNGNQKFMF-ZDUSSCGKSA-N 1 0 273.376 3.186 20 10 CGCDRO COc1ccc(C[NH2+]C[C@@H]2CCOC3(CCC3)C2)cc1C ZINC000824750042 633283424 /nfs/dbraw/zinc/28/34/24/633283424.db2.gz BIAPHMYNKVPQNL-MRXNPFEDSA-N 1 0 289.419 3.443 20 10 CGCDRO CCOCc1cc(C[NH2+]C[C@@H]2C[C@H]2CC)ccc1OC ZINC000824783193 633288705 /nfs/dbraw/zinc/28/87/05/633288705.db2.gz HFLHWDQGUOYIBA-CABCVRRESA-N 1 0 277.408 3.367 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H]2CCCC2(F)F)c1 ZINC000824799114 633293192 /nfs/dbraw/zinc/29/31/92/633293192.db2.gz KTGVNRRGEGEGNL-LBPRGKRZSA-N 1 0 285.334 3.316 20 10 CGCDRO CC(C)[C@@H](CO)[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)C(C)C ZINC000824846439 633300463 /nfs/dbraw/zinc/30/04/63/633300463.db2.gz SCUWWWODVILDHE-MSOLQXFVSA-N 1 0 292.467 3.131 20 10 CGCDRO Cc1cccc(C[NH2+][C@H](C(C)C)[C@H](CO)C(C)C)c1O ZINC000824845032 633300612 /nfs/dbraw/zinc/30/06/12/633300612.db2.gz GUILUOSZSXVOGC-HZPDHXFCSA-N 1 0 279.424 3.079 20 10 CGCDRO Cc1ccc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c(O)c1 ZINC000876581548 634862377 /nfs/dbraw/zinc/86/23/77/634862377.db2.gz MODWGEMLGCOGRE-UHFFFAOYSA-N 1 0 286.331 3.241 20 10 CGCDRO Cc1cc(O)c(C[N@@H+](C)[C@H](CO)C(C)(C)C)cc1Cl ZINC000824905785 633304208 /nfs/dbraw/zinc/30/42/08/633304208.db2.gz CXWBHFKQXXFLDJ-CQSZACIVSA-N 1 0 285.815 3.193 20 10 CGCDRO Oc1ccc(F)cc1C[N@@H+]1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000824941117 633308520 /nfs/dbraw/zinc/30/85/20/633308520.db2.gz IZKGAZILCDIDNW-HOCLYGCPSA-N 1 0 261.340 3.152 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC000824942089 633308642 /nfs/dbraw/zinc/30/86/42/633308642.db2.gz VYOZGIBFWYDXSF-SUMWQHHRSA-N 1 0 273.376 3.021 20 10 CGCDRO C[N@H+](Cc1cc(Cl)ccc1O)[C@H](CO)CC(C)(C)C ZINC000825040624 633321097 /nfs/dbraw/zinc/32/10/97/633321097.db2.gz QENLCOCMUUZBFH-ZDUSSCGKSA-N 1 0 285.815 3.275 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)c1 ZINC000825084594 633326952 /nfs/dbraw/zinc/32/69/52/633326952.db2.gz FWPNUFCAEKUVPM-CRAIPNDOSA-N 1 0 298.386 3.106 20 10 CGCDRO CO[C@@H]([C@@H](C)[NH2+]Cc1cc(Cl)cc(C)c1O)C1CC1 ZINC000825098401 633328906 /nfs/dbraw/zinc/32/89/06/633328906.db2.gz IGAKVPHWCHLEHD-BMIGLBTASA-N 1 0 283.799 3.257 20 10 CGCDRO COCC1(C[NH2+][C@@H](C)c2cc(OC)ccc2O)CCCC1 ZINC000825245557 633338848 /nfs/dbraw/zinc/33/88/48/633338848.db2.gz LQDIGVGSFRSZNF-ZDUSSCGKSA-N 1 0 293.407 3.258 20 10 CGCDRO COC[C@@H]1CCC[N@H+](Cc2cc(C)c(C)cc2O)CC1 ZINC000825321937 633345577 /nfs/dbraw/zinc/34/55/77/633345577.db2.gz RTTSWIPYVDXDCM-OAHLLOKOSA-N 1 0 277.408 3.258 20 10 CGCDRO Cc1cnccc1CC[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825379385 633350933 /nfs/dbraw/zinc/35/09/33/633350933.db2.gz PDDFSLFZDRESGH-UHFFFAOYSA-N 1 0 290.794 3.390 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H](C)[C@@H]2CCCOC2)cc1Cl ZINC000825469064 633356475 /nfs/dbraw/zinc/35/64/75/633356475.db2.gz UXULNSRVTDBRIG-VXGBXAGGSA-N 1 0 283.799 3.259 20 10 CGCDRO CC[C@]1(CO)CCC[N@@H+]1Cc1cc(Cl)c(C)cc1O ZINC000825634549 633369209 /nfs/dbraw/zinc/36/92/09/633369209.db2.gz OJYLUCIQAWBUSQ-OAHLLOKOSA-N 1 0 283.799 3.091 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H]2CSC[C@@H]2C)cc1Cl ZINC000825886471 633386185 /nfs/dbraw/zinc/38/61/85/633386185.db2.gz PKGFXNZVUFJBFS-CABZTGNLSA-N 1 0 271.813 3.195 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@]3(CCOC3)C2)cc1Cl ZINC000826097033 633405294 /nfs/dbraw/zinc/40/52/94/633405294.db2.gz MTRXLQFUAXQEGH-INIZCTEOSA-N 1 0 295.810 3.357 20 10 CGCDRO COc1cccc(O)c1C[NH+]1CCC(c2ccco2)CC1 ZINC000826878027 633439829 /nfs/dbraw/zinc/43/98/29/633439829.db2.gz QQMICWWKIWMOTB-UHFFFAOYSA-N 1 0 287.359 3.373 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@]2(C)CC2(F)F)cc1Cl ZINC000827251669 633475364 /nfs/dbraw/zinc/47/53/64/633475364.db2.gz KPHQTXFCZRGRJY-LBPRGKRZSA-N 1 0 275.726 3.489 20 10 CGCDRO Cc1cc(CN(C)Cc2cc[nH]n2)ccc1N1CCCCC1 ZINC000827803433 633519520 /nfs/dbraw/zinc/51/95/20/633519520.db2.gz OYJIWQVUUGJIGD-UHFFFAOYSA-N 1 0 298.434 3.340 20 10 CGCDRO CCOc1cccc(C[N@H+](C)C[C@H]2CC2(C)C)c1O ZINC000827941061 633538381 /nfs/dbraw/zinc/53/83/81/633538381.db2.gz BUVUAGLAKCWSQY-CYBMUJFWSA-N 1 0 263.381 3.269 20 10 CGCDRO CCc1ccc(C[NH2+][C@H](C)c2cc(OC)ccc2O)o1 ZINC000845972726 636126411 /nfs/dbraw/zinc/12/64/11/636126411.db2.gz RPCDXKZFYIQDMC-LLVKDONJSA-N 1 0 275.348 3.407 20 10 CGCDRO C[C@@]1(CC[NH2+]Cc2cc(F)ccc2O)C[C@]1(F)Cl ZINC000846038424 636134824 /nfs/dbraw/zinc/13/48/24/636134824.db2.gz PHRBRCUZZBDXEK-CHWSQXEVSA-N 1 0 275.726 3.326 20 10 CGCDRO COCC(C)(C)CC[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000872104344 634025030 /nfs/dbraw/zinc/02/50/30/634025030.db2.gz BIMDNMOAUQYEJY-LBPRGKRZSA-N 1 0 281.396 3.114 20 10 CGCDRO CCC[C@H](C)[C@@H](CO)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000846184195 636154543 /nfs/dbraw/zinc/15/45/43/636154543.db2.gz RJNIYEVIDKZSJA-GRDNDAEWSA-N 1 0 278.440 3.200 20 10 CGCDRO C[C@@H]([NH2+]CCC1(CO)CCC1)c1cc(Cl)ccc1O ZINC000846209501 636159395 /nfs/dbraw/zinc/15/93/95/636159395.db2.gz DXIWBSWZYVVULA-LLVKDONJSA-N 1 0 283.799 3.249 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)c1nccnc1C)c1ccccc1O ZINC000872133822 634056419 /nfs/dbraw/zinc/05/64/19/634056419.db2.gz OYAFWBCHGGWEAJ-OCCSQVGLSA-N 1 0 271.364 3.293 20 10 CGCDRO CC(C)(C[NH2+][C@@H]1CCc2cccc(O)c21)N1CCCCC1 ZINC000834487944 634173426 /nfs/dbraw/zinc/17/34/26/634173426.db2.gz SWHODBXNFLJUNC-OAHLLOKOSA-N 1 0 288.435 3.234 20 10 CGCDRO C[C@H](C[NH2+][C@@H]1CCc2cccc(O)c21)N(C)c1ccccc1 ZINC000834513300 634174591 /nfs/dbraw/zinc/17/45/91/634174591.db2.gz JJZUKNGCSIYRGO-RHSMWYFYSA-N 1 0 296.414 3.494 20 10 CGCDRO CCC(C)(C)[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000834530515 634176624 /nfs/dbraw/zinc/17/66/24/634176624.db2.gz HNECBLHHNTXWSV-HNNXBMFYSA-N 1 0 290.451 3.438 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]Cc1ccc3c(c1)CCO3)CC2 ZINC000834554421 634181979 /nfs/dbraw/zinc/18/19/79/634181979.db2.gz AKBICWZJQYESBU-HNNXBMFYSA-N 1 0 281.355 3.104 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2CCC[C@H]2C)cc1Cn1cccn1 ZINC000873045887 634236250 /nfs/dbraw/zinc/23/62/50/634236250.db2.gz JPSNXSVZYRLVTA-PBHICJAKSA-N 1 0 299.418 3.218 20 10 CGCDRO CCn1ccnc1[C@@H](C)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000834768595 634239138 /nfs/dbraw/zinc/23/91/38/634239138.db2.gz CPSZDHDXMOVNKX-ZIAGYGMSSA-N 1 0 286.423 3.381 20 10 CGCDRO CCCCN(C)C[C@H](C)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834803900 634244462 /nfs/dbraw/zinc/24/44/62/634244462.db2.gz ZXRMRNNHWVZABD-DZGCQCFKSA-N 1 0 276.424 3.090 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+][C@@H]1COc3ccc(F)cc3C1)CC2 ZINC000834803757 634244658 /nfs/dbraw/zinc/24/46/58/634244658.db2.gz XYDZUSMWQCUWQR-GJZGRUSLSA-N 1 0 299.345 3.112 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@H]2CCOC[C@@H]2C)cc1C ZINC000873114687 634249487 /nfs/dbraw/zinc/24/94/87/634249487.db2.gz QAOACJIPJOQUHA-HOCLYGCPSA-N 1 0 277.408 3.298 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCn3ccnc32)c(O)c1C ZINC000834833271 634251844 /nfs/dbraw/zinc/25/18/44/634251844.db2.gz XMKQFIQETZMFKM-GXTWGEPZSA-N 1 0 271.364 3.001 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CC2=CCOCC2)cc1 ZINC000834859903 634257925 /nfs/dbraw/zinc/25/79/25/634257925.db2.gz LNNGIWAXHXPWNI-CQSZACIVSA-N 1 0 274.408 3.140 20 10 CGCDRO COCC(C)(C)CC[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000873152674 634259854 /nfs/dbraw/zinc/25/98/54/634259854.db2.gz BYNQNKHEMXGICL-VOTSOKGWSA-N 1 0 290.451 3.418 20 10 CGCDRO CCn1ccnc1C[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000834880265 634263810 /nfs/dbraw/zinc/26/38/10/634263810.db2.gz QUYUHUKPRPXAOH-CMPLNLGQSA-N 1 0 289.354 3.086 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000873157502 634265925 /nfs/dbraw/zinc/26/59/25/634265925.db2.gz ZXYHFMDTUUZVJG-RIEGTJTDSA-N 1 0 281.783 3.093 20 10 CGCDRO CC[C@@H]([NH2+][C@H](C)Cc1cnn(C)c1)c1ccc(C)cc1O ZINC000834898079 634274211 /nfs/dbraw/zinc/27/42/11/634274211.db2.gz YUKFQNPXJBWPAQ-CZUORRHYSA-N 1 0 287.407 3.106 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H]2CCCC[C@H]2O)cc1 ZINC000834899869 634276853 /nfs/dbraw/zinc/27/68/53/634276853.db2.gz LIXBWYJEFNVIOG-UWWQBHOKSA-N 1 0 290.451 3.344 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CC(C)(C)C(C)(C)O)c(O)c1 ZINC000834902865 634280023 /nfs/dbraw/zinc/28/00/23/634280023.db2.gz DLZGJASEOFJXLM-CYBMUJFWSA-N 1 0 279.424 3.457 20 10 CGCDRO COCC1(C[NH2+][C@H](C)c2ccccc2O)CCCC1 ZINC000834905769 634282125 /nfs/dbraw/zinc/28/21/25/634282125.db2.gz KYHBTCZCWPJFGJ-CYBMUJFWSA-N 1 0 263.381 3.250 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C2(C)CC(F)(F)C2)cc1C ZINC000873197898 634282105 /nfs/dbraw/zinc/28/21/05/634282105.db2.gz VJQGRAUPUQBOCD-UHFFFAOYSA-N 1 0 255.308 3.286 20 10 CGCDRO CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834912317 634285691 /nfs/dbraw/zinc/28/56/91/634285691.db2.gz LKXKMQUBAYRZIO-IIAWOOMASA-N 1 0 275.392 3.317 20 10 CGCDRO CCO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000834914518 634286471 /nfs/dbraw/zinc/28/64/71/634286471.db2.gz VEQZQGBBYDQBTA-PSOPSSQASA-N 1 0 267.344 3.140 20 10 CGCDRO C[C@H]([NH2+]Cc1cc(N)cc(F)c1)c1ccc(N(C)C)cc1 ZINC000873288081 634320140 /nfs/dbraw/zinc/32/01/40/634320140.db2.gz UMDNZQRIBNHQIF-LBPRGKRZSA-N 1 0 287.382 3.325 20 10 CGCDRO CN(C)c1ccc(/C=C/C[N@H+](CCO)CC(C)(C)C)cc1 ZINC000835024912 634323871 /nfs/dbraw/zinc/32/38/71/634323871.db2.gz AVGZMFCECYGMGM-VOTSOKGWSA-N 1 0 290.451 3.106 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+]CCc2ccco2)cc1 ZINC000835033792 634327403 /nfs/dbraw/zinc/32/74/03/634327403.db2.gz KRLKGWVDQDWXTA-HYXAFXHYSA-N 1 0 270.376 3.191 20 10 CGCDRO Cc1ncsc1C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835038561 634328726 /nfs/dbraw/zinc/32/87/26/634328726.db2.gz TZZHCJCMRURDKS-PLNGDYQASA-N 1 0 287.432 3.321 20 10 CGCDRO C[C@@H]1C[C@H](C[NH2+]C/C=C\c2ccc(N(C)C)cc2)CCO1 ZINC000835041797 634329495 /nfs/dbraw/zinc/32/94/95/634329495.db2.gz ASODDFZPSUHMIG-XQJUWPJRSA-N 1 0 288.435 3.171 20 10 CGCDRO CCC[C@@H](CCO)C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835039636 634329622 /nfs/dbraw/zinc/32/96/22/634329622.db2.gz IFDZCVKYMKAGTF-UABRLCRWSA-N 1 0 290.451 3.154 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@@H](O)CC(C)(C)C)cc1 ZINC000835040921 634329725 /nfs/dbraw/zinc/32/97/25/634329725.db2.gz WHCYJFQKTQTHQU-TUYSUELWSA-N 1 0 290.451 3.153 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@H]2CCC=CO2)cc1 ZINC000835044839 634331635 /nfs/dbraw/zinc/33/16/35/634331635.db2.gz GVLUOYYIXCRQEQ-KEGWNNHHSA-N 1 0 272.392 3.048 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+]CC[C@@H]2CCCCO2)cc1 ZINC000835045752 634332453 /nfs/dbraw/zinc/33/24/53/634332453.db2.gz YIDOOQONMXGFQK-XFHJGTJQSA-N 1 0 288.435 3.315 20 10 CGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@@H]2C(C)(C)O)cc1 ZINC000835048214 634333966 /nfs/dbraw/zinc/33/39/66/634333966.db2.gz NUGVKHCNGVWUIQ-XTKXOIQPSA-N 1 0 288.435 3.001 20 10 CGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CCC23CCOCC3)cc1 ZINC000835049744 634336243 /nfs/dbraw/zinc/33/62/43/634336243.db2.gz RWDIEBCQUXGMQQ-ARJAWSKDSA-N 1 0 286.419 3.021 20 10 CGCDRO CC[C@@H]1C[N@H+](C/C=C\c2ccc(N(C)C)cc2)CCCO1 ZINC000835051260 634337083 /nfs/dbraw/zinc/33/70/83/634337083.db2.gz IUSUZJPHXLHHNM-LZCIBIBXSA-N 1 0 288.435 3.267 20 10 CGCDRO CCCc1ncc(C[NH2+]C/C=C\c2ccc(N(C)C)cc2)o1 ZINC000835054303 634337763 /nfs/dbraw/zinc/33/77/63/634337763.db2.gz JGCMNFGAFCNXCP-ALCCZGGFSA-N 1 0 299.418 3.496 20 10 CGCDRO CC[C@@](C)(C[NH2+]C/C=C\c1ccc(N(C)C)cc1)OC ZINC000835053865 634338275 /nfs/dbraw/zinc/33/82/75/634338275.db2.gz FNFSOQUEXKPGDE-QWPQOLDESA-N 1 0 276.424 3.171 20 10 CGCDRO CO[C@@]1(C)CCC[N@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835054517 634338435 /nfs/dbraw/zinc/33/84/35/634338435.db2.gz QRQMNCCZRHVFLF-FZMUQLTDSA-N 1 0 288.435 3.267 20 10 CGCDRO Cc1cccc(C[NH2+][C@H](C(C)C)C2(CO)CCCC2)c1O ZINC000835065249 634343514 /nfs/dbraw/zinc/34/35/14/634343514.db2.gz GMRLXFPFIKAZHC-QGZVFWFLSA-N 1 0 291.435 3.368 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H](C(C)C)C2(CO)CCCC2)c1 ZINC000835066539 634343966 /nfs/dbraw/zinc/34/39/66/634343966.db2.gz RAPSLRAJAHBXEN-KRWDZBQOSA-N 1 0 291.435 3.368 20 10 CGCDRO COc1ccc(C[N@H+](C)Cc2c(C)cccc2O)cc1O ZINC000876632489 634872605 /nfs/dbraw/zinc/87/26/05/634872605.db2.gz FSDTUDXMFQSGBZ-UHFFFAOYSA-N 1 0 287.359 3.047 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCCC2(CCOCC2)C1 ZINC000876746114 634890401 /nfs/dbraw/zinc/89/04/01/634890401.db2.gz SITCDRDVYYLTJO-UHFFFAOYSA-N 1 0 275.392 3.093 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]CCOc1ccccc1F ZINC000876881170 634918726 /nfs/dbraw/zinc/91/87/26/634918726.db2.gz CUMSQIUCXPTTDD-UHFFFAOYSA-N 1 0 275.323 3.008 20 10 CGCDRO COc1ccc(CC[NH2+]Cc2c(C)cccc2O)cc1 ZINC000876892883 634922181 /nfs/dbraw/zinc/92/21/81/634922181.db2.gz BWDCKBHSGGKQNG-UHFFFAOYSA-N 1 0 271.360 3.042 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]C[C@@H](c1ccsc1)N(C)C ZINC000876912236 634927692 /nfs/dbraw/zinc/92/76/92/634927692.db2.gz SBAPZUBXXSEYDP-HNNXBMFYSA-N 1 0 290.432 3.155 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]Cc1ccc(OC(C)C)nc1 ZINC000876938447 634932406 /nfs/dbraw/zinc/93/24/06/634932406.db2.gz FUOLLHBRGLJMSW-UHFFFAOYSA-N 1 0 286.375 3.173 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)[C@H]1CC1(F)F ZINC000876986659 634943448 /nfs/dbraw/zinc/94/34/48/634943448.db2.gz IAXOIUBIPRGWRW-SMDDNHRTSA-N 1 0 280.362 3.202 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]Cc1ccc2c(c1)OCCCO2 ZINC000877003603 634947499 /nfs/dbraw/zinc/94/74/99/634947499.db2.gz ARIRDQMAMFJFIZ-UHFFFAOYSA-N 1 0 299.370 3.152 20 10 CGCDRO Cc1ccc(C[NH2+][C@H](C)c2cccc(O)c2)c(O)c1 ZINC000877021515 634952633 /nfs/dbraw/zinc/95/26/33/634952633.db2.gz UPPKDWNGPAXQJY-GFCCVEGCSA-N 1 0 257.333 3.257 20 10 CGCDRO Cc1ccc(C[NH2+][C@H](C)c2cnn(C(C)C)c2)c(O)c1 ZINC000877024545 634953057 /nfs/dbraw/zinc/95/30/57/634953057.db2.gz HEZMZIQVEHVQCC-CYBMUJFWSA-N 1 0 273.380 3.329 20 10 CGCDRO CCCC(O)(CCC)C[NH2+]Cc1c(C)cccc1O ZINC000877056998 634965843 /nfs/dbraw/zinc/96/58/43/634965843.db2.gz ZFFNGBIXAVBLFU-UHFFFAOYSA-N 1 0 265.397 3.122 20 10 CGCDRO COCCC1(C[NH2+]Cc2ccc(C)cc2O)CCCC1 ZINC000877085154 634979301 /nfs/dbraw/zinc/97/93/01/634979301.db2.gz IOYDZPDSWNUHMT-UHFFFAOYSA-N 1 0 277.408 3.387 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]C[C@H](C[C@@H](C)O)c1ccccc1 ZINC000877093205 634982686 /nfs/dbraw/zinc/98/26/86/634982686.db2.gz FVSJREMXGUMCQB-WBVHZDCISA-N 1 0 299.414 3.345 20 10 CGCDRO CCc1noc(CC)c1C[NH2+]Cc1c(C)cccc1O ZINC000877109387 634985714 /nfs/dbraw/zinc/98/57/14/634985714.db2.gz IZDJKYSVELUIHI-UHFFFAOYSA-N 1 0 274.364 3.103 20 10 CGCDRO COCC[C@H]([NH2+]Cc1ccc(C)cc1O)c1ccco1 ZINC000877183486 635008760 /nfs/dbraw/zinc/00/87/60/635008760.db2.gz FLJCBGVNMTZONZ-AWEZNQCLSA-N 1 0 275.348 3.161 20 10 CGCDRO COCC[C@@H]1CCCC[N@H+](Cc2ccc(C)cc2O)C1 ZINC000877396939 635034707 /nfs/dbraw/zinc/03/47/07/635034707.db2.gz DRFITLKBPOKHOX-HNNXBMFYSA-N 1 0 277.408 3.339 20 10 CGCDRO Cc1ccc(C[NH2+]CC[C@@](C)(O)c2ccccc2)c(O)c1 ZINC000877440554 635042127 /nfs/dbraw/zinc/04/21/27/635042127.db2.gz CANYOTMWWSYJEL-GOSISDBHSA-N 1 0 285.387 3.088 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]CC[C@](C)(O)c1ccccc1 ZINC000877441779 635042643 /nfs/dbraw/zinc/04/26/43/635042643.db2.gz QZPOAKHJAKIMEV-SFHVURJKSA-N 1 0 285.387 3.088 20 10 CGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@H]1CCOC(C)(C)C1 ZINC000877478939 635052521 /nfs/dbraw/zinc/05/25/21/635052521.db2.gz RESCDXPROCMDCN-INIZCTEOSA-N 1 0 276.424 3.319 20 10 CGCDRO COCC[C@H](C)C[NH2+][C@H](C)c1ccc(C)cc1O ZINC000840836482 635061353 /nfs/dbraw/zinc/06/13/53/635061353.db2.gz YQGAYXQDFWORIG-QWHCGFSZSA-N 1 0 251.370 3.024 20 10 CGCDRO Cc1ccc(C[N@@H+](C)Cc2cnc(C(C)C)nc2)c(O)c1 ZINC000877499420 635062492 /nfs/dbraw/zinc/06/24/92/635062492.db2.gz PDQPAYPWNXNSJR-UHFFFAOYSA-N 1 0 285.391 3.246 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCC[C@@H]2c2cccnc2)c(O)c1 ZINC000877524037 635071482 /nfs/dbraw/zinc/07/14/82/635071482.db2.gz QJEYCNVVVDRCNT-MRXNPFEDSA-N 1 0 268.360 3.433 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000877529146 635073959 /nfs/dbraw/zinc/07/39/59/635073959.db2.gz UOHDLYFPQQLSNO-HOTGVXAUSA-N 1 0 289.419 3.339 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2nc(Cl)cs2)c1 ZINC000877534084 635076146 /nfs/dbraw/zinc/07/61/46/635076146.db2.gz XMPMDGHJCKQZMF-QMMMGPOBSA-N 1 0 298.795 3.362 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C2CCSCC2)c(Cl)c1 ZINC000840890857 635076627 /nfs/dbraw/zinc/07/66/27/635076627.db2.gz SEMYMXMIUUVKNK-UHFFFAOYSA-N 1 0 271.813 3.339 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CC(C)(C)C[C@H](C)O)c(Cl)c1 ZINC000840898889 635078338 /nfs/dbraw/zinc/07/83/38/635078338.db2.gz GZVBQGLWXVDCNZ-NSHDSACASA-N 1 0 285.815 3.241 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCCc2ccccn2)c(Cl)c1 ZINC000840908384 635080123 /nfs/dbraw/zinc/08/01/23/635080123.db2.gz WGDPGYFAIYFPKO-UHFFFAOYSA-N 1 0 290.794 3.471 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCO[C@H](C)C2)c(Cl)c1 ZINC000840908875 635080494 /nfs/dbraw/zinc/08/04/94/635080494.db2.gz YPMPVXQWZHSTLX-MNOVXSKESA-N 1 0 269.772 3.011 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000877542144 635081088 /nfs/dbraw/zinc/08/10/88/635081088.db2.gz WNBZUWUUQQPQAS-SJORKVTESA-N 1 0 287.403 3.234 20 10 CGCDRO CC[N@H+](C)C[C@@H]1CCN(Cc2c(O)cc(C)cc2Cl)C1 ZINC000840916917 635082582 /nfs/dbraw/zinc/08/25/82/635082582.db2.gz NUUQOSSKFSYQLM-ZDUSSCGKSA-N 1 0 296.842 3.128 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@H+](C)CCOC(C)(C)C ZINC000840918301 635082738 /nfs/dbraw/zinc/08/27/38/635082738.db2.gz ZIRBYIQIKNCXJS-UHFFFAOYSA-N 1 0 278.440 3.308 20 10 CGCDRO Cc1csc(CC[NH2+]Cc2ccc(N(C)C)cc2C)n1 ZINC000840928678 635083921 /nfs/dbraw/zinc/08/39/21/635083921.db2.gz FBJMHBYYUZRZJJ-UHFFFAOYSA-N 1 0 289.448 3.158 20 10 CGCDRO CCC1([NH2+]Cc2ccc(N(C)C)cc2C)CCOCC1 ZINC000840935746 635084567 /nfs/dbraw/zinc/08/45/67/635084567.db2.gz CLGPQBLBCKCKLT-UHFFFAOYSA-N 1 0 276.424 3.110 20 10 CGCDRO Cc1cccc([C@@H](O)C[NH2+]Cc2ccc(N(C)C)cc2C)c1 ZINC000840938521 635085476 /nfs/dbraw/zinc/08/54/76/635085476.db2.gz NRMGHKGVCFBWEL-IBGZPJMESA-N 1 0 298.430 3.193 20 10 CGCDRO CCC[C@@]1([NH2+]Cc2ccc(N(C)C)cc2C)CCOC1 ZINC000840947436 635089854 /nfs/dbraw/zinc/08/98/54/635089854.db2.gz SVQKIABITLFPKZ-QGZVFWFLSA-N 1 0 276.424 3.110 20 10 CGCDRO COC[C@@]1(C)CC[N@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000840950633 635090635 /nfs/dbraw/zinc/09/06/35/635090635.db2.gz MDIIPUHRGDOPEQ-HNNXBMFYSA-N 1 0 283.799 3.212 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000840951305 635091016 /nfs/dbraw/zinc/09/10/16/635091016.db2.gz VYGHQWMJFYIBMY-KRWDZBQOSA-N 1 0 290.451 3.044 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@@H+](C(C)C)[C@H]1CCOC1 ZINC000840948768 635091036 /nfs/dbraw/zinc/09/10/36/635091036.db2.gz XMPRUMOUUIUQOR-KRWDZBQOSA-N 1 0 276.424 3.060 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H]2C2CC2)c(Cl)c1 ZINC000840950790 635091557 /nfs/dbraw/zinc/09/15/57/635091557.db2.gz NTZQIYQYXMLGAT-ZDUSSCGKSA-N 1 0 251.757 3.338 20 10 CGCDRO CO[C@@](C)(C[NH2+]Cc1c(C)cccc1O)c1ccccc1 ZINC000877564743 635092983 /nfs/dbraw/zinc/09/29/83/635092983.db2.gz KJXLEPNMSPMTGN-SFHVURJKSA-N 1 0 285.387 3.352 20 10 CGCDRO CC[N@H+](Cc1occc1C)Cc1cc(OC)ccc1O ZINC000840969992 635096648 /nfs/dbraw/zinc/09/66/48/635096648.db2.gz NCAOKRJSRVECDA-UHFFFAOYSA-N 1 0 275.348 3.324 20 10 CGCDRO COC1([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2C)CCC1 ZINC000840970292 635097079 /nfs/dbraw/zinc/09/70/79/635097079.db2.gz SYROJHMIPBMIJH-AWEZNQCLSA-N 1 0 276.424 3.108 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]C[C@@H]1C[C@H]1C ZINC000840975197 635098115 /nfs/dbraw/zinc/09/81/15/635098115.db2.gz DVKGCMJJFUHHMT-INWMFGNUSA-N 1 0 260.425 3.238 20 10 CGCDRO Cc1nocc1C[NH2+][C@H](C)Cc1ccc(N(C)C)cc1C ZINC000840977181 635099382 /nfs/dbraw/zinc/09/93/82/635099382.db2.gz UGMDUAAQNHDUKR-CYBMUJFWSA-N 1 0 287.407 3.078 20 10 CGCDRO C=Cn1cc(C[NH2+][C@@H](C)Cc2ccc(N(C)C)cc2C)cn1 ZINC000840975564 635099421 /nfs/dbraw/zinc/09/94/21/635099421.db2.gz IQFDPSIAWHKWRK-HNNXBMFYSA-N 1 0 298.434 3.079 20 10 CGCDRO COc1cccc(CNc2ccc([C@H](C)[NH3+])cc2)c1O ZINC000841028082 635108125 /nfs/dbraw/zinc/10/81/25/635108125.db2.gz LGLYJKGASDCJPI-NSHDSACASA-N 1 0 272.348 3.033 20 10 CGCDRO C[C@@H](CCc1ccsc1)[NH2+]CCc1ccc(N)cc1 ZINC000841033777 635110463 /nfs/dbraw/zinc/11/04/63/635110463.db2.gz BAIMPWLXLMPKPN-ZDUSSCGKSA-N 1 0 274.433 3.484 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]C[C@@H]1CCC2(CCCC2)O1 ZINC000877620471 635116690 /nfs/dbraw/zinc/11/66/90/635116690.db2.gz IGBSBYQYTNTCAZ-AWEZNQCLSA-N 1 0 275.392 3.282 20 10 CGCDRO C[C@H](CCCC[NH3+])[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000841077766 635117611 /nfs/dbraw/zinc/11/76/11/635117611.db2.gz BDWZYJYWNJKTMQ-SECBINFHSA-N 1 0 291.222 3.306 20 10 CGCDRO Cc1cc(N)cc(C[NH2+]C/C=C\c2ccc(N(C)C)cc2)c1 ZINC000841072200 635117683 /nfs/dbraw/zinc/11/76/83/635117683.db2.gz YPECUFWMFSZXNX-PLNGDYQASA-N 1 0 295.430 3.446 20 10 CGCDRO Cc1ccc(C[NH2+]C[C@@H]2C[C@H](c3ccccc3)CO2)c(O)c1 ZINC000877631257 635122259 /nfs/dbraw/zinc/12/22/59/635122259.db2.gz SEWNRUOZEXWBKA-ROUUACIJSA-N 1 0 297.398 3.363 20 10 CGCDRO COCc1csc(C[NH2+]Cc2ccc(C)cc2O)c1 ZINC000877630849 635122485 /nfs/dbraw/zinc/12/24/85/635122485.db2.gz NZMWAIBRNMUPRM-UHFFFAOYSA-N 1 0 277.389 3.198 20 10 CGCDRO Cc1cccc(O)c1C[NH+]1CCC(c2ccon2)CC1 ZINC000877638840 635126702 /nfs/dbraw/zinc/12/67/02/635126702.db2.gz PULOOTHTGXCGNS-UHFFFAOYSA-N 1 0 272.348 3.068 20 10 CGCDRO Cc1ccc(C[NH2+]C(C)(C)[C@H]2CCCCO2)c(O)c1 ZINC000877701923 635152562 /nfs/dbraw/zinc/15/25/62/635152562.db2.gz DAXWZUNBYRLKQD-OAHLLOKOSA-N 1 0 263.381 3.138 20 10 CGCDRO CCc1cccc(C[N@@H+]2CC[C@@H]3CSC[C@@H]3C2)c1O ZINC000877740505 635175969 /nfs/dbraw/zinc/17/59/69/635175969.db2.gz VUHCHMPTISFJQB-CABCVRRESA-N 1 0 277.433 3.140 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCc2cccnc2CC1)c1ccccc1O ZINC000877755604 635184026 /nfs/dbraw/zinc/18/40/26/635184026.db2.gz HTOFVVHIHHBJQL-UKRRQHHQSA-N 1 0 282.387 3.385 20 10 CGCDRO COC[C@@H](CC(C)C)[NH2+][C@H](C)c1ccccc1O ZINC000877755629 635184621 /nfs/dbraw/zinc/18/46/21/635184621.db2.gz ISDAYIFWQXMYST-CHWSQXEVSA-N 1 0 251.370 3.104 20 10 CGCDRO COc1cccc(C[NH2+][C@@H](C)c2ccccc2O)c1F ZINC000877758346 635187281 /nfs/dbraw/zinc/18/72/81/635187281.db2.gz URSJHSRKVOAZOV-NSHDSACASA-N 1 0 275.323 3.391 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc2c(n1)CCC2)c1ccccc1O ZINC000877758032 635187383 /nfs/dbraw/zinc/18/73/83/635187383.db2.gz FPWYGGPNFNODEJ-LBPRGKRZSA-N 1 0 268.360 3.127 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]C1([C@@H]2CCCCO2)CCC1 ZINC000877771761 635198730 /nfs/dbraw/zinc/19/87/30/635198730.db2.gz WYROHNTYVSVFAH-HNNXBMFYSA-N 1 0 279.355 3.113 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2C[C@H](C)[C@H](C)[C@H]2C)c1O ZINC000841690113 635212389 /nfs/dbraw/zinc/21/23/89/635212389.db2.gz MBGCKHCKOMFNHT-RWMBFGLXSA-N 1 0 263.381 3.186 20 10 CGCDRO C[C@H](C[NH2+][C@H](C)c1ccc(Cl)cc1[O-])C[NH+]1CCCC1 ZINC000841745305 635222693 /nfs/dbraw/zinc/22/26/93/635222693.db2.gz POPYEUMKPBQSDS-CHWSQXEVSA-N 1 0 296.842 3.428 20 10 CGCDRO CC(C)N(C)C[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841753347 635226839 /nfs/dbraw/zinc/22/68/39/635226839.db2.gz HELISUCVXUKRRB-NEPJUHHUSA-N 1 0 284.831 3.425 20 10 CGCDRO CC[C@@H](COC)[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841754219 635228401 /nfs/dbraw/zinc/22/84/01/635228401.db2.gz JAWGUGRJCXLXTD-ONGXEEELSA-N 1 0 257.761 3.121 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+][C@@H]1COCc3ccccc31)CC2 ZINC000841755606 635229686 /nfs/dbraw/zinc/22/96/86/635229686.db2.gz KCQZKNCQFXDMAW-JKSUJKDBSA-N 1 0 281.355 3.241 20 10 CGCDRO C[C@@H]([NH2+][C@@H](CO)C1CCCC1)c1ccc(Cl)cc1O ZINC000841758114 635231293 /nfs/dbraw/zinc/23/12/93/635231293.db2.gz SDDUOQQYPXKTGT-YGRLFVJLSA-N 1 0 283.799 3.247 20 10 CGCDRO CC[C@H](C)[C@](C)(O)C[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841757675 635231657 /nfs/dbraw/zinc/23/16/57/635231657.db2.gz FEEDCXJCFWBJOM-FIXISWKDSA-N 1 0 285.815 3.493 20 10 CGCDRO CC[C@H]([NH2+]Cc1cc(F)ccc1O)[C@H](O)c1ccccc1 ZINC000877832470 635232846 /nfs/dbraw/zinc/23/28/46/635232846.db2.gz MKCVUDKVOPBERI-DOTOQJQBSA-N 1 0 289.350 3.133 20 10 CGCDRO COCCCC[N@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000841894079 635249106 /nfs/dbraw/zinc/24/91/06/635249106.db2.gz MQEMTUFVBMNTFW-BQYQJAHWSA-N 1 0 276.424 3.124 20 10 CGCDRO CC[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)[C@@H]1CC1(C)C ZINC000841891691 635249278 /nfs/dbraw/zinc/24/92/78/635249278.db2.gz SPOMKXPTBKJEMQ-RYUDHWBXSA-N 1 0 277.364 3.035 20 10 CGCDRO C[N@H+](CCCC1CC1)Cc1ccc(N2CCOCC2)cc1 ZINC000877923606 635272012 /nfs/dbraw/zinc/27/20/12/635272012.db2.gz SADZPLVBQSRNGR-UHFFFAOYSA-N 1 0 288.435 3.145 20 10 CGCDRO COCC1(CC[NH2+]C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000842729853 635451656 /nfs/dbraw/zinc/45/16/56/635451656.db2.gz SSOCKPXYKPNYEL-SNAWJCMRSA-N 1 0 288.435 3.172 20 10 CGCDRO COc1ccccc1C1([NH2+]Cc2ccccc2O)CC1 ZINC000842739739 635456077 /nfs/dbraw/zinc/45/60/77/635456077.db2.gz ZTTHKCQWGDQAFX-UHFFFAOYSA-N 1 0 269.344 3.180 20 10 CGCDRO CC[C@H](C)C[C@H](CO)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000842756819 635461882 /nfs/dbraw/zinc/46/18/82/635461882.db2.gz OXPSTBZVVUGERU-WWJLMDQWSA-N 1 0 290.451 3.153 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2scnc2Cl)c1 ZINC000878361175 635474130 /nfs/dbraw/zinc/47/41/30/635474130.db2.gz WUOQNGAKNJAVBQ-MRVPVSSYSA-N 1 0 298.795 3.362 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCC(C)(C)CO2)c1 ZINC000878360360 635474265 /nfs/dbraw/zinc/47/42/65/635474265.db2.gz LXMVNZXFWDDTAO-JSGCOSHPSA-N 1 0 293.407 3.257 20 10 CGCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1ccc(F)c(F)c1 ZINC000843057203 635553538 /nfs/dbraw/zinc/55/35/38/635553538.db2.gz HCEVURGCQVIXHD-UHFFFAOYSA-N 1 0 288.341 3.376 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](c3cccnc3)C2)c1 ZINC000843419629 635665393 /nfs/dbraw/zinc/66/53/93/635665393.db2.gz MMMQAOSSEAXHMG-HNNXBMFYSA-N 1 0 298.386 3.175 20 10 CGCDRO Cc1ccc(O)c(C[N@H+]2CC3(C[C@@H]2C)CCOCC3)c1 ZINC000843431832 635673399 /nfs/dbraw/zinc/67/33/99/635673399.db2.gz JVKDQAXEGWKCHU-AWEZNQCLSA-N 1 0 275.392 3.092 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]CC1CCC(F)CC1 ZINC000843432931 635675032 /nfs/dbraw/zinc/67/50/32/635675032.db2.gz RKWPGQIFRMGFNZ-UHFFFAOYSA-N 1 0 255.308 3.149 20 10 CGCDRO C[C@@H]([NH2+][C@H](C)c1ccccc1O)C(=O)N(C)c1ccccc1 ZINC000879648879 635826624 /nfs/dbraw/zinc/82/66/24/635826624.db2.gz FOQZUWVBVGEDEK-ZIAGYGMSSA-N 1 0 298.386 3.094 20 10 CGCDRO COC(=O)c1ccc([C@@H](C)[NH2+][C@H](C)c2ccccc2O)o1 ZINC000879649061 635826797 /nfs/dbraw/zinc/82/67/97/635826797.db2.gz KVDZOBPFBXIYRV-GHMZBOCLSA-N 1 0 289.331 3.184 20 10 CGCDRO CC[C@H]1C[N@H+](Cc2cc(C)cc(C)c2O)[C@@H](C)CO1 ZINC000844732673 635957662 /nfs/dbraw/zinc/95/76/62/635957662.db2.gz QWYWJUZHUZKIOC-ZFWWWQNUSA-N 1 0 263.381 3.008 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2CNc3ccccc3C2)cc1C ZINC000844908876 635982089 /nfs/dbraw/zinc/98/20/89/635982089.db2.gz YEPJCWFFRGVHMY-MRXNPFEDSA-N 1 0 282.387 3.130 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CNc2ccccc2C1)c1cc(F)ccc1O ZINC000844922054 635985126 /nfs/dbraw/zinc/98/51/26/635985126.db2.gz ZTEBQEKUVWDARE-FZMZJTMJSA-N 1 0 286.350 3.219 20 10 CGCDRO C[NH2+]Cc1ccccc1C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000844926410 635987263 /nfs/dbraw/zinc/98/72/63/635987263.db2.gz ZTCXGBWNPFBZFM-GFCCVEGCSA-N 1 0 288.366 3.102 20 10 CGCDRO Cc1ccc(O)c(C[NH+]2CCc3ccccc3CC2)c1 ZINC000211392551 636077494 /nfs/dbraw/zinc/07/74/94/636077494.db2.gz OUQPPCDMJBYEMO-UHFFFAOYSA-N 1 0 267.372 3.301 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CC(C)(C)OC[C@H]2CC)c(O)c1 ZINC000846028058 636132026 /nfs/dbraw/zinc/13/20/26/636132026.db2.gz VMUAJHBWLLFWGY-CQSZACIVSA-N 1 0 293.407 3.180 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2Cc3ccccc3O2)c1O ZINC000846137135 636148624 /nfs/dbraw/zinc/14/86/24/636148624.db2.gz ABGFECBAHHOFRH-JSGCOSHPSA-N 1 0 299.370 3.055 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]CC2CCSCC2)c1O ZINC000846142873 636149368 /nfs/dbraw/zinc/14/93/68/636149368.db2.gz DGCFAXVPHJGORZ-LLVKDONJSA-N 1 0 281.421 3.195 20 10 CGCDRO CCCC[C@H](COC)[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846148413 636149837 /nfs/dbraw/zinc/14/98/37/636149837.db2.gz YZAWULYLYLKTRL-CHWSQXEVSA-N 1 0 281.396 3.257 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@H]2CCCCS2)c1O ZINC000846165544 636151202 /nfs/dbraw/zinc/15/12/02/636151202.db2.gz OLZRCTDVFGNBKF-NWDGAFQWSA-N 1 0 281.421 3.337 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCC(F)(F)C2)c1O ZINC000846161393 636151343 /nfs/dbraw/zinc/15/13/43/636151343.db2.gz YHEPYDOUOQYSSI-NXEZZACHSA-N 1 0 271.307 3.239 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]CCSC(C)C)c1O ZINC000846169837 636152823 /nfs/dbraw/zinc/15/28/23/636152823.db2.gz GIIFNUNSRGXTSM-NSHDSACASA-N 1 0 269.410 3.193 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]CC2(SC)CCC2)c1O ZINC000846168988 636152834 /nfs/dbraw/zinc/15/28/34/636152834.db2.gz WWLGRAKMZRCQHA-LLVKDONJSA-N 1 0 281.421 3.337 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2C[C@H]2CC(C)C)c1O ZINC000846169724 636153008 /nfs/dbraw/zinc/15/30/08/636153008.db2.gz SFWGGEWIMFBXGE-YRGRVCCFSA-N 1 0 263.381 3.486 20 10 CGCDRO C[N@H+](CCC1CCOCC1)Cc1cc(Cl)ccc1O ZINC000129650257 636330713 /nfs/dbraw/zinc/33/07/13/636330713.db2.gz AUVBZRVUEYCOOX-UHFFFAOYSA-N 1 0 283.799 3.294 20 10 CGCDRO CCC[N@H+](CCOC(C)C)Cc1ccccc1O ZINC000130737109 636505016 /nfs/dbraw/zinc/50/50/16/636505016.db2.gz GVEMOGLDIKCYJN-UHFFFAOYSA-N 1 0 251.370 3.029 20 10 CGCDRO COCC1(C[NH2+][C@H](C)c2c(C)cc(C)cc2O)CC1 ZINC000848560284 636605103 /nfs/dbraw/zinc/60/51/03/636605103.db2.gz CHSGIMSKPVDEIE-CYBMUJFWSA-N 1 0 263.381 3.086 20 10 CGCDRO CC[C@H]([NH2+]C[C@H](C)C(=O)OC(C)(C)C)c1ccccc1O ZINC000848563155 636607391 /nfs/dbraw/zinc/60/73/91/636607391.db2.gz QAPJSAWFUCCZNN-JSGCOSHPSA-N 1 0 293.407 3.411 20 10 CGCDRO C[C@@H]([NH2+]C[C@H](C)C(=O)OC(C)(C)C)c1ccccc1O ZINC000848563767 636607769 /nfs/dbraw/zinc/60/77/69/636607769.db2.gz XFBBQRNMVXOVPM-NWDGAFQWSA-N 1 0 279.380 3.021 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+][C@H]2CC[C@H](C)C2)c1O ZINC000131287077 636612692 /nfs/dbraw/zinc/61/26/92/636612692.db2.gz STWOHYYIKKQIJG-CABZTGNLSA-N 1 0 269.772 3.332 20 10 CGCDRO CC[C@H]([NH2+]C[C@H]1C[C@H](OC)C1)c1ccc(C)cc1O ZINC000883272629 636642694 /nfs/dbraw/zinc/64/26/94/636642694.db2.gz REYPEWOZNCELRO-YDHLFZDLSA-N 1 0 263.381 3.166 20 10 CGCDRO CCc1cccc(C[N@H+](CCCO)CC(C)(C)C)c1O ZINC000848886939 636674613 /nfs/dbraw/zinc/67/46/13/636674613.db2.gz YGXURMOOPLERFW-UHFFFAOYSA-N 1 0 279.424 3.185 20 10 CGCDRO CCc1cccc(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)c1O ZINC000848889429 636675868 /nfs/dbraw/zinc/67/58/68/636675868.db2.gz KRARLEKAHDGCDD-MRXNPFEDSA-N 1 0 289.419 3.203 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@@H]2COc3ccccc3C2)c1O ZINC000848890324 636678114 /nfs/dbraw/zinc/67/81/14/636678114.db2.gz GXDWAVXZAPMOAF-CQSZACIVSA-N 1 0 297.398 3.296 20 10 CGCDRO CCc1cccc(C[NH2+]CCCCn2ccnc2C)c1O ZINC000848897314 636679652 /nfs/dbraw/zinc/67/96/52/636679652.db2.gz OSPRXYWWBWLFMS-UHFFFAOYSA-N 1 0 287.407 3.030 20 10 CGCDRO CCc1cccc(C[NH2+]Cc2cc(C(C)C)no2)c1O ZINC000848896371 636679771 /nfs/dbraw/zinc/67/97/71/636679771.db2.gz ZSASMDFAADZMSO-UHFFFAOYSA-N 1 0 274.364 3.356 20 10 CGCDRO CCc1cccc(C[NH2+][C@H](CC)[C@H]2CCCO2)c1O ZINC000848901131 636681781 /nfs/dbraw/zinc/68/17/81/636681781.db2.gz UKISTVAMHOSQAA-HUUCEWRRSA-N 1 0 263.381 3.002 20 10 CGCDRO CCc1cccc(C[NH2+][C@H](C)c2nnc(C(C)C)[nH]2)c1O ZINC000848900759 636681785 /nfs/dbraw/zinc/68/17/85/636681785.db2.gz PZLMVHOOFHDJST-LLVKDONJSA-N 1 0 288.395 3.047 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCC[C@H](c3nccn3C)C2)c1O ZINC000848907824 636684766 /nfs/dbraw/zinc/68/47/66/636684766.db2.gz UGSVEAHJNGTOSV-INIZCTEOSA-N 1 0 299.418 3.068 20 10 CGCDRO CCC[C@@]1(CO)CCC[N@@H+]1Cc1cccc(CC)c1O ZINC000848907740 636685547 /nfs/dbraw/zinc/68/55/47/636685547.db2.gz RQKROADXVXCTGB-KRWDZBQOSA-N 1 0 277.408 3.082 20 10 CGCDRO CCc1cccc(C[NH2+][C@H](C)[C@H](O)c2ccccc2)c1O ZINC000848912174 636687614 /nfs/dbraw/zinc/68/76/14/636687614.db2.gz NNSHEGNQAFCFOR-DYVFJYSZSA-N 1 0 285.387 3.166 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2CCC3(CCC3)O2)c1O ZINC000883357297 636698328 /nfs/dbraw/zinc/69/83/28/636698328.db2.gz ISGCLYNNIJPOQO-STQMWFEESA-N 1 0 291.391 3.153 20 10 CGCDRO C[C@@H](O)C[N@H+](Cc1ccc(N2CCCCC2)cc1)C1CC1 ZINC000848928796 636699867 /nfs/dbraw/zinc/69/98/67/636699867.db2.gz NVISHCSZQKGGLU-OAHLLOKOSA-N 1 0 288.435 3.022 20 10 CGCDRO COc1cccc(C[N@H+](C)[C@@H]2CCC[C@@H](C)C2)c1O ZINC000132745839 636834535 /nfs/dbraw/zinc/83/45/35/636834535.db2.gz GQIMMXLXVFUHAN-TZMCWYRMSA-N 1 0 263.381 3.411 20 10 CGCDRO COC1CC(CC[NH2+]C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000850341379 637021098 /nfs/dbraw/zinc/02/10/98/637021098.db2.gz IPPAMACZAYPMAW-SNAWJCMRSA-N 1 0 288.435 3.171 20 10 CGCDRO COc1ccc(C[NH2+]CCc2noc3ccccc23)cc1C ZINC000850343455 637021858 /nfs/dbraw/zinc/02/18/58/637021858.db2.gz VFUZYYKNMPQLLM-UHFFFAOYSA-N 1 0 296.370 3.477 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CCc2noc3ccccc23)cc1 ZINC000850342797 637022244 /nfs/dbraw/zinc/02/22/44/637022244.db2.gz NHGLDHAKUWXAMK-UHFFFAOYSA-N 1 0 295.386 3.226 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@@]2(C)CC2(F)F)cc1 ZINC000850378869 637039336 /nfs/dbraw/zinc/03/93/36/637039336.db2.gz ATUCHFLFKXEFBN-FOSCPCJNSA-N 1 0 280.362 3.401 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)c(Cl)c1 ZINC000850392996 637045308 /nfs/dbraw/zinc/04/53/08/637045308.db2.gz PIKGSSWQEUPKEX-MSRIBSCDSA-N 1 0 251.757 3.242 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C[C@H]2C(C)(C)C2(F)F)cc1F ZINC000850394092 637046284 /nfs/dbraw/zinc/04/62/84/637046284.db2.gz LCQZUAYQSOHPOF-ZDUSSCGKSA-N 1 0 286.341 3.273 20 10 CGCDRO COc1cccc(C[NH2+][C@@H](C)C2CCC(F)CC2)c1O ZINC000850395595 637047141 /nfs/dbraw/zinc/04/71/41/637047141.db2.gz IVYOQCFPVLRHFC-DCBWTQNWSA-N 1 0 281.371 3.407 20 10 CGCDRO CSCC[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000134908042 637050274 /nfs/dbraw/zinc/05/02/74/637050274.db2.gz IKBKNAAZAJVLJR-QMMMGPOBSA-N 1 0 290.226 3.168 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+][C@H](C)C3CCC3)C2)cc1 ZINC000850487563 637088069 /nfs/dbraw/zinc/08/80/69/637088069.db2.gz IHKZDISTTWJUIB-HIFRSBDPSA-N 1 0 274.408 3.052 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+][C@H]3CCC3(C)C)C2)cc1 ZINC000850489065 637088826 /nfs/dbraw/zinc/08/88/26/637088826.db2.gz PVWIJZREIRRDKE-BBRMVZONSA-N 1 0 274.408 3.052 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)c3ccoc3)C2)cc1 ZINC000850490120 637089239 /nfs/dbraw/zinc/08/92/39/637089239.db2.gz ZWDUBPMGBMHZKB-ZFWWWQNUSA-N 1 0 286.375 3.218 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCC[C@H]([S@@](C)=O)C1)c1ccccc1O ZINC000850502870 637092738 /nfs/dbraw/zinc/09/27/38/637092738.db2.gz SDTKFRIJPMAFOI-IKLNNYPDSA-N 1 0 295.448 3.123 20 10 CGCDRO OC/C=C\C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000850506897 637094349 /nfs/dbraw/zinc/09/43/49/637094349.db2.gz CLSQYTSRZQSBPE-MJRGOJFPSA-N 1 0 297.398 3.204 20 10 CGCDRO C[C@H]1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCCN3C)C1 ZINC000135167992 637096138 /nfs/dbraw/zinc/09/61/38/637096138.db2.gz MKFRRCAKUVGIAY-XJKSGUPXSA-N 1 0 258.409 3.347 20 10 CGCDRO CC[C@@H]([NH2+][C@H]1COC2(CCC2)C1)c1ccc(C)cc1O ZINC000850523265 637102172 /nfs/dbraw/zinc/10/21/72/637102172.db2.gz DXZZPHIGPDHGLH-UKRRQHHQSA-N 1 0 275.392 3.453 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]CC[C@]2(C)CC2(F)F)c1O ZINC000850536914 637112310 /nfs/dbraw/zinc/11/23/10/637112310.db2.gz OXKQOROJKKMAJN-IINYFYTJSA-N 1 0 285.334 3.487 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](CO)CC2CC2)c(O)c1 ZINC000850544494 637115844 /nfs/dbraw/zinc/11/58/44/637115844.db2.gz GSDQRHUAMPENFD-ZFWWWQNUSA-N 1 0 277.408 3.068 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](CO)CC2CC2)c1O ZINC000850544141 637116105 /nfs/dbraw/zinc/11/61/05/637116105.db2.gz CPPGAHPTJGIDNO-WCQYABFASA-N 1 0 297.826 3.413 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](OC)C2CCCC2)c1O ZINC000850561378 637125005 /nfs/dbraw/zinc/12/50/05/637125005.db2.gz JGNILKKBASUNQI-MLGOLLRUSA-N 1 0 293.407 3.257 20 10 CGCDRO CCC[C@H](CC)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850568135 637126636 /nfs/dbraw/zinc/12/66/36/637126636.db2.gz QBUZUQXJNIJVAT-INIZCTEOSA-N 1 0 290.451 3.316 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1nccn1C)c1cc(Cl)ccc1O ZINC000850572194 637129469 /nfs/dbraw/zinc/12/94/69/637129469.db2.gz HXHUAWZHMVRBLJ-ZJUUUORDSA-N 1 0 279.771 3.191 20 10 CGCDRO C[N@@H+](Cc1ccccc1O)C[C@@H]1CCC2(CCC2)CO1 ZINC000886065111 637397539 /nfs/dbraw/zinc/39/75/39/637397539.db2.gz PVEZRLHXPXYMOD-HNNXBMFYSA-N 1 0 275.392 3.173 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2cnccc2C(F)(F)F)c1 ZINC000853095617 637756344 /nfs/dbraw/zinc/75/63/44/637756344.db2.gz QRNULKXPYGQGQZ-UHFFFAOYSA-N 1 0 296.292 3.404 20 10 CGCDRO CS[C@@H]1CC[C@H]([NH2+][C@H](C)c2cc(F)ccc2O)C1 ZINC000300418946 637838058 /nfs/dbraw/zinc/83/80/58/637838058.db2.gz IYBCTDWFTVYMLI-ADEWGFFLSA-N 1 0 269.385 3.466 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC3(COC3)C2)cc1C(C)C ZINC000853594258 637871339 /nfs/dbraw/zinc/87/13/39/637871339.db2.gz CMDBBFBKGUWBAE-UHFFFAOYSA-N 1 0 275.392 3.046 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(N(C)C)c(F)c2)c1 ZINC000113330944 638200403 /nfs/dbraw/zinc/20/04/03/638200403.db2.gz ASCWYRNMVZKOEC-UHFFFAOYSA-N 1 0 288.366 3.196 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)C1(C)CC1 ZINC000113330069 638200575 /nfs/dbraw/zinc/20/05/75/638200575.db2.gz OINSFGJVGINHOD-LLVKDONJSA-N 1 0 250.361 3.170 20 10 CGCDRO COC(=O)c1cc2ccccc2c(C[NH+]2CCCCC2)c1O ZINC000008052864 638253724 /nfs/dbraw/zinc/25/37/24/638253724.db2.gz AIAIYUWFNVKIIO-UHFFFAOYSA-N 1 0 299.370 3.318 20 10 CGCDRO CCOCc1cc(C[NH2+]CC[C@H]2CC2(F)F)ccc1OC ZINC000856802241 638391902 /nfs/dbraw/zinc/39/19/02/638391902.db2.gz LGAVPBJVRQQFPP-AWEZNQCLSA-N 1 0 299.361 3.367 20 10 CGCDRO CC[C@@H](C[C@](C)(O)CC)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000924899800 638421316 /nfs/dbraw/zinc/42/13/16/638421316.db2.gz HPNDQTORECOUSK-DOTOQJQBSA-N 1 0 277.408 3.041 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C2CC3(C2)CCCC3)c1 ZINC000925416256 638499816 /nfs/dbraw/zinc/49/98/16/638499816.db2.gz WAZASTHVLUJJOR-UHFFFAOYSA-N 1 0 261.365 3.213 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cccnc1C ZINC000115629272 638569948 /nfs/dbraw/zinc/56/99/48/638569948.db2.gz KNTOSPQRVVTTJI-UHFFFAOYSA-N 1 0 269.392 3.054 20 10 CGCDRO CC[C@H](c1ccccc1O)[N@@H+]1CCOc2ccc(N)cc2C1 ZINC000925753439 638596005 /nfs/dbraw/zinc/59/60/05/638596005.db2.gz HKATVWFJLMAQHQ-MRXNPFEDSA-N 1 0 298.386 3.320 20 10 CGCDRO CN(C)c1cc(F)c(C[NH2+]C2CC3(CCC3)C2)cc1F ZINC000858183395 638651101 /nfs/dbraw/zinc/65/11/01/638651101.db2.gz DOGJODKZUVIIEL-UHFFFAOYSA-N 1 0 280.362 3.453 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(N(C)C(C)C)nc2)c1 ZINC000858239613 638661469 /nfs/dbraw/zinc/66/14/69/638661469.db2.gz QKRQXWNOWDLVKX-UHFFFAOYSA-N 1 0 299.418 3.230 20 10 CGCDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000858284190 638672181 /nfs/dbraw/zinc/67/21/81/638672181.db2.gz YIDNGKLMHKMEQI-ZRWBKPHVSA-N 1 0 288.435 3.167 20 10 CGCDRO Cc1cccc2c1C[C@@H]([NH2+][C@@H]1CCc3cccc(O)c31)CO2 ZINC000858459356 638724746 /nfs/dbraw/zinc/72/47/46/638724746.db2.gz CZTFCISHCXQQKO-GDBMZVCRSA-N 1 0 295.382 3.281 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCN2CC(F)F)c(O)c1 ZINC000858479080 638734662 /nfs/dbraw/zinc/73/46/62/638734662.db2.gz IGIFFIXBCXMVOC-QWHCGFSZSA-N 1 0 298.377 3.081 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cc(F)cc(F)c1[O-] ZINC000858490523 638741256 /nfs/dbraw/zinc/74/12/56/638741256.db2.gz JTMHVVYMYBLHBN-NWDGAFQWSA-N 1 0 298.377 3.053 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)CC2 ZINC000926951335 638828555 /nfs/dbraw/zinc/82/85/55/638828555.db2.gz QHIKRFSZCSVCFB-HBNTYKKESA-N 1 0 271.282 3.168 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]C[C@H]1CCCC3(CCC3)O1)CC2 ZINC000927009346 638830922 /nfs/dbraw/zinc/83/09/22/638830922.db2.gz BZRKBYXHUYEUSI-HUUCEWRRSA-N 1 0 287.403 3.461 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](c2cnn(C)c2)C(C)C)c1 ZINC000927068524 638837617 /nfs/dbraw/zinc/83/76/17/638837617.db2.gz JWUVATDBOZCFEX-CXAGYDPISA-N 1 0 287.407 3.482 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]Cc1cccc3c1OCC3)CC2 ZINC000927091158 638840491 /nfs/dbraw/zinc/84/04/91/638840491.db2.gz WWTYBCONOIANBP-HNNXBMFYSA-N 1 0 281.355 3.104 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H](COC)C(C)C)c1ccccc1O ZINC000927096970 638841522 /nfs/dbraw/zinc/84/15/22/638841522.db2.gz RARGAWZIBAZXQP-DZGCQCFKSA-N 1 0 265.397 3.352 20 10 CGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccnc(F)c1 ZINC000859067295 639070102 /nfs/dbraw/zinc/07/01/02/639070102.db2.gz OCHJCXKVTVDJOT-UHFFFAOYSA-N 1 0 287.382 3.309 20 10 CGCDRO CCN(C)c1ccc(C[NH2+][C@H](C)c2ccns2)cc1 ZINC000860061767 639276355 /nfs/dbraw/zinc/27/63/55/639276355.db2.gz NKUYVFZCJGZDFI-GFCCVEGCSA-N 1 0 275.421 3.450 20 10 CGCDRO COc1cccc(C[NH2+]C[C@H]2CCc3ccccc3C2)c1O ZINC000117388743 639326204 /nfs/dbraw/zinc/32/62/04/639326204.db2.gz CIXDJNVCIZIOQN-AWEZNQCLSA-N 1 0 297.398 3.296 20 10 CGCDRO C[C@@H]([NH2+]CCN1CCCCCC1)c1ccc(N(C)C)cc1 ZINC000040767833 639896470 /nfs/dbraw/zinc/89/64/70/639896470.db2.gz SFGRSLRIMGQJNW-MRXNPFEDSA-N 1 0 289.467 3.279 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H]1CCCCN1CC)c1ccccc1O ZINC000155780315 639949269 /nfs/dbraw/zinc/94/92/69/639949269.db2.gz MEIRAQNPNIEGIZ-GOEBONIOSA-N 1 0 276.424 3.307 20 10 CGCDRO CCOC[C@H]([NH2+]Cc1cc(Cl)ccc1O)C(C)C ZINC000188866989 640156127 /nfs/dbraw/zinc/15/61/27/640156127.db2.gz ZVNRUGDDPGIODM-ZDUSSCGKSA-N 1 0 271.788 3.196 20 10 CGCDRO Cc1cc(C)cc(CC[NH2+]Cc2ccccc2O)c1 ZINC000077456353 640240343 /nfs/dbraw/zinc/24/03/43/640240343.db2.gz SZWQYZNMSWOIAI-UHFFFAOYSA-N 1 0 255.361 3.341 20 10 CGCDRO CCc1ccccc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000077901778 640269195 /nfs/dbraw/zinc/26/91/95/640269195.db2.gz FIVJPEXXZOSJCH-UHFFFAOYSA-N 1 0 267.372 3.474 20 10 CGCDRO C[C@@H]1CSCC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000192181605 640356216 /nfs/dbraw/zinc/35/62/16/640356216.db2.gz XWKUHHFGPGBTND-LBPRGKRZSA-N 1 0 277.433 3.066 20 10 CGCDRO CCCN(Cc1ccc2c[nH]nc2c1)c1ccc(C[NH3+])cc1 ZINC000194981073 640560906 /nfs/dbraw/zinc/56/09/06/640560906.db2.gz IGOOHFPLHCTYHD-UHFFFAOYSA-N 1 0 294.402 3.438 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)c1 ZINC000246091916 640657173 /nfs/dbraw/zinc/65/71/73/640657173.db2.gz CLMPPNWQURMGDB-PBHICJAKSA-N 1 0 299.418 3.289 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)cc1C ZINC000246496326 640677698 /nfs/dbraw/zinc/67/76/98/640677698.db2.gz HIYFDOYGQUDYHW-DYVFJYSZSA-N 1 0 299.418 3.289 20 10 CGCDRO COc1cccc(C[NH2+]CC2C(C)(C)C2(C)C)c1O ZINC000092805609 640745127 /nfs/dbraw/zinc/74/51/27/640745127.db2.gz NZUDGYOFOZDWOR-UHFFFAOYSA-N 1 0 263.381 3.173 20 10 CGCDRO CC[C@H](C)[C@@H](O)C[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000248514950 640765585 /nfs/dbraw/zinc/76/55/85/640765585.db2.gz NWCSOEOEZWTGMJ-JCGVRSQUSA-N 1 0 291.435 3.329 20 10 CGCDRO C[C@H]1OCC[N@H+](Cc2ccc(N3CCCCC3)cc2)[C@@H]1C ZINC000093417770 640770706 /nfs/dbraw/zinc/77/07/06/640770706.db2.gz ZFRLHTRQCZRKNS-HZPDHXFCSA-N 1 0 288.435 3.286 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCSC(C)(C)C2)cc1 ZINC000093504237 640773878 /nfs/dbraw/zinc/77/38/78/640773878.db2.gz BVJIACXHSRSYSY-UHFFFAOYSA-N 1 0 264.438 3.080 20 10 CGCDRO C[C@@H]([NH2+]C[C@H](C)N1CCCCC1)c1cc(F)ccc1O ZINC000094617755 640800118 /nfs/dbraw/zinc/80/01/18/640800118.db2.gz YTNJYCQPXPJRSQ-QWHCGFSZSA-N 1 0 280.387 3.056 20 10 CGCDRO Oc1ccc(Cl)cc1CN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252416611 640844147 /nfs/dbraw/zinc/84/41/47/640844147.db2.gz OPGWUCFPHSTUEK-SWLSCSKDSA-N 1 0 294.826 3.010 20 10 CGCDRO CC[N@@H+](Cc1ccc(N(C)C)cc1)C[C@@H](O)c1ccccc1 ZINC001251993814 805965874 /nfs/dbraw/zinc/96/58/74/805965874.db2.gz SYDBFJCABHYMKQ-LJQANCHMSA-N 1 0 298.430 3.308 20 10 CGCDRO Nc1ccc(CCc2ccc(NC3=CCC[NH2+]C3)cc2)cc1 ZINC001159552263 806121136 /nfs/dbraw/zinc/12/11/36/806121136.db2.gz UHRFEFAYIZEQLN-UHFFFAOYSA-N 1 0 293.414 3.343 20 10 CGCDRO Cc1cc(C)c(CNc2[nH+]ccc3[nH]ccc32)c(O)c1 ZINC001160808508 806305284 /nfs/dbraw/zinc/30/52/84/806305284.db2.gz UUKOARUGYSXPAF-UHFFFAOYSA-N 1 0 267.332 3.497 20 10 CGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2[NH2+][C@@H]1CCCOC1 ZINC001254374627 806388790 /nfs/dbraw/zinc/38/87/90/806388790.db2.gz JSJBSNLBHRAHKL-CXAGYDPISA-N 1 0 289.419 3.401 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2c(O)ccc3ccccc32)[C@@H](C)CO1 ZINC000026665256 798841614 /nfs/dbraw/zinc/84/16/14/798841614.db2.gz ARRGNVDPPDXZSA-QWHCGFSZSA-N 1 0 271.360 3.155 20 10 CGCDRO c1cc(N2CCCCC2)ccc1C[NH2+]CC[C@H]1CCCO1 ZINC000037988729 798881792 /nfs/dbraw/zinc/88/17/92/798881792.db2.gz QHGPZZGNCWULPK-GOSISDBHSA-N 1 0 288.435 3.336 20 10 CGCDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)cc2)C12CCC2 ZINC000087709140 798947177 /nfs/dbraw/zinc/94/71/77/798947177.db2.gz FUKGPZKGPCYFGF-IRXDYDNUSA-N 1 0 288.435 3.190 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]C[C@H]2CCOc3ccccc32)c1 ZINC000113340241 798984425 /nfs/dbraw/zinc/98/44/25/798984425.db2.gz OPJUJGVZWJQXPQ-CQSZACIVSA-N 1 0 283.371 3.357 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]C[C@@H]2CCOc3ccccc32)c1 ZINC000113340238 798984658 /nfs/dbraw/zinc/98/46/58/798984658.db2.gz OPJUJGVZWJQXPQ-AWEZNQCLSA-N 1 0 283.371 3.357 20 10 CGCDRO CC[N@H+](CCc1ccccc1)Cc1cc2c(cc1O)OCO2 ZINC000124040761 798997120 /nfs/dbraw/zinc/99/71/20/798997120.db2.gz KDYLOCXESVICKE-UHFFFAOYSA-N 1 0 299.370 3.186 20 10 CGCDRO C[C@H]1CN(Cc2ccccc2)CC[N@@H+]1Cc1ccccc1O ZINC000179573607 799109924 /nfs/dbraw/zinc/10/99/24/799109924.db2.gz SRAZJPUROOUHSV-INIZCTEOSA-N 1 0 296.414 3.099 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCS[C@@H]2C)c(O)c1 ZINC000379934875 799355178 /nfs/dbraw/zinc/35/51/78/799355178.db2.gz VNURCYIEMJQQRR-DMDPSCGWSA-N 1 0 251.395 3.245 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+][C@H]1CCC(F)(F)C1 ZINC000383903821 799410057 /nfs/dbraw/zinc/41/00/57/799410057.db2.gz XBGWDESDJOMHTN-QMMMGPOBSA-N 1 0 261.699 3.323 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)c1ccc2ccccc2c1O)[C@H](C)O ZINC000386713553 799439246 /nfs/dbraw/zinc/43/92/46/799439246.db2.gz QCCUKVLTPMUJDV-WQGACYEGSA-N 1 0 273.376 3.355 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CC[C@H](C)OC)cc1 ZINC000389284329 799461062 /nfs/dbraw/zinc/46/10/62/799461062.db2.gz LOJHOZNPLHVAIR-AWEZNQCLSA-N 1 0 264.413 3.047 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]C[C@H]1CCCCC1(F)F ZINC000390581242 799472337 /nfs/dbraw/zinc/47/23/37/799472337.db2.gz QGNCLLQZSXJMCS-LLVKDONJSA-N 1 0 273.298 3.446 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cnc(C)cc2C)c1 ZINC000397068312 799513003 /nfs/dbraw/zinc/51/30/03/799513003.db2.gz WWRWQMSHNKGBAW-ZDUSSCGKSA-N 1 0 286.375 3.263 20 10 CGCDRO Cc1cc(C)c(C[NH2+][C@@H](C)c2cc(F)ccc2O)cn1 ZINC000397023706 799513461 /nfs/dbraw/zinc/51/34/61/799513461.db2.gz MEFGSYRMAZHQFQ-LBPRGKRZSA-N 1 0 274.339 3.394 20 10 CGCDRO C[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2[O-])CS1 ZINC000397892478 799523408 /nfs/dbraw/zinc/52/34/08/799523408.db2.gz PKMJVAIJDPPTMG-WPRPVWTQSA-N 1 0 257.786 3.029 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1CCC[C@@H](C)O1)c1ccc(N(C)C)cc1 ZINC000688881011 799757031 /nfs/dbraw/zinc/75/70/31/799757031.db2.gz VIEIIOOEJGIZNC-CKEIUWERSA-N 1 0 276.424 3.361 20 10 CGCDRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)CS1 ZINC000689480733 799764526 /nfs/dbraw/zinc/76/45/26/799764526.db2.gz DXZKBUIEWQVCJW-TZMCWYRMSA-N 1 0 264.438 3.126 20 10 CGCDRO CCc1nc(C[NH2+]Cc2cccc(CC)c2O)cs1 ZINC000691448677 799783205 /nfs/dbraw/zinc/78/32/05/799783205.db2.gz BNZSOFOPZDRPOQ-UHFFFAOYSA-N 1 0 276.405 3.263 20 10 CGCDRO CCc1cccc(C[NH2+]CCOCCC(C)C)c1O ZINC000691438532 799784054 /nfs/dbraw/zinc/78/40/54/799784054.db2.gz PHEXPUKJZLPSMD-UHFFFAOYSA-N 1 0 265.397 3.107 20 10 CGCDRO CCc1cccc(C[NH2+]CCOCc2ccccc2)c1O ZINC000691442705 799784196 /nfs/dbraw/zinc/78/41/96/799784196.db2.gz CMCOGZYQPUOHLH-UHFFFAOYSA-N 1 0 285.387 3.261 20 10 CGCDRO CCc1cccc(C[NH2+]CC2(O)CCCCCC2)c1O ZINC000691467772 799784258 /nfs/dbraw/zinc/78/42/58/799784258.db2.gz RIRCFIQTNBDIKJ-UHFFFAOYSA-N 1 0 277.408 3.130 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@@H](OC)[C@H](C)CC)c1O ZINC000691442794 799784304 /nfs/dbraw/zinc/78/43/04/799784304.db2.gz DFLLSQDIOQRNRI-IUODEOHRSA-N 1 0 265.397 3.105 20 10 CGCDRO CCc1cccc(C[NH2+]CCOc2ccccc2)c1O ZINC000691500714 799785186 /nfs/dbraw/zinc/78/51/86/799785186.db2.gz QXWUNQSNLTWVIM-UHFFFAOYSA-N 1 0 271.360 3.123 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCOC2(C)C)c1 ZINC000693078700 799806595 /nfs/dbraw/zinc/80/65/95/799806595.db2.gz LWPJIBTWQWQPAL-QWHCGFSZSA-N 1 0 263.381 3.166 20 10 CGCDRO CC(C)[C@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000694440915 799821524 /nfs/dbraw/zinc/82/15/24/799821524.db2.gz BRQCWXIWUDTWRD-LBPRGKRZSA-N 1 0 251.345 3.399 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCCC(F)(F)C2)cc1 ZINC000695119473 799827367 /nfs/dbraw/zinc/82/73/67/799827367.db2.gz MIICAROZSVWWJK-ZDUSSCGKSA-N 1 0 268.351 3.420 20 10 CGCDRO CC(C)(C)OCCC[NH2+]Cc1cc(Cl)ccc1O ZINC000695280541 799827950 /nfs/dbraw/zinc/82/79/50/799827950.db2.gz NYFULRDQPVHLSU-UHFFFAOYSA-N 1 0 271.788 3.340 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCCC[C@H](COC)C2)c1O ZINC000696616229 799841855 /nfs/dbraw/zinc/84/18/55/799841855.db2.gz BEXKXICGCYOVTJ-AWEZNQCLSA-N 1 0 277.408 3.203 20 10 CGCDRO COc1ccc(C[NH2+]CCSCC(F)(F)F)cc1C ZINC000698954412 799858482 /nfs/dbraw/zinc/85/84/82/799858482.db2.gz XVQDYSSPLBIHQQ-UHFFFAOYSA-N 1 0 293.354 3.389 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](C)CC(F)F)c1 ZINC000700074594 799867763 /nfs/dbraw/zinc/86/77/63/799867763.db2.gz NHYFAGXLUBYYPM-NXEZZACHSA-N 1 0 273.323 3.343 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]CC[C@H]1CCSC1)CC2 ZINC000704814524 799942140 /nfs/dbraw/zinc/94/21/40/799942140.db2.gz NCTQWVGSXRFKQS-AAEUAGOBSA-N 1 0 263.406 3.112 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC[C@@H]2CCSC2)c1 ZINC000704814638 799942693 /nfs/dbraw/zinc/94/26/93/799942693.db2.gz WRYNCUOFCYZHSJ-VXGBXAGGSA-N 1 0 281.421 3.195 20 10 CGCDRO CN1CCCc2cc(C[NH2+][C@H]3CCCSCC3)ccc21 ZINC000709586916 800011275 /nfs/dbraw/zinc/01/12/75/800011275.db2.gz NTDHEPNEHVBISN-INIZCTEOSA-N 1 0 290.476 3.444 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1CCC2(CCC2)O1)c1ccccc1O ZINC000711511798 800064891 /nfs/dbraw/zinc/06/48/91/800064891.db2.gz BBNZNWLFZAVNKP-QWHCGFSZSA-N 1 0 261.365 3.145 20 10 CGCDRO C=C/C=C/CC[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000713502693 800112435 /nfs/dbraw/zinc/11/24/35/800112435.db2.gz FCVHLCGSJZAZQW-SNAWJCMRSA-N 1 0 267.756 3.276 20 10 CGCDRO C[C@H]([NH2+]CC[C@@H]1CCCS1)c1cc(F)ccc1O ZINC000715713936 800144737 /nfs/dbraw/zinc/14/47/37/800144737.db2.gz BMBXKFAPNQWFBO-JQWIXIFHSA-N 1 0 269.385 3.468 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+][C@@H](C)c2ccns2)c1O ZINC000715979275 800156998 /nfs/dbraw/zinc/15/69/98/800156998.db2.gz RLJFDKSGDXCOEM-QMMMGPOBSA-N 1 0 298.795 3.362 20 10 CGCDRO CC[C@H]([NH2+]C[C@H](C)CC1(C)OCCO1)c1ccccc1O ZINC000715995767 800157980 /nfs/dbraw/zinc/15/79/80/800157980.db2.gz DHRIQNGZRVOVPQ-HIFRSBDPSA-N 1 0 293.407 3.222 20 10 CGCDRO CO[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)CC1 ZINC000718856321 800225995 /nfs/dbraw/zinc/22/59/95/800225995.db2.gz CCUFQEBOCMZPRA-NVXWUHKLSA-N 1 0 276.424 3.190 20 10 CGCDRO CCO[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)C1 ZINC000721182149 800279021 /nfs/dbraw/zinc/27/90/21/800279021.db2.gz ARUCMFPNHOIDHW-NVXWUHKLSA-N 1 0 276.424 3.190 20 10 CGCDRO COC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)c2cc(Cl)ccc2O)C1 ZINC000903129401 800594433 /nfs/dbraw/zinc/59/44/33/800594433.db2.gz VVWDDVJXWXRVOW-FOGDFJRCSA-N 1 0 297.782 3.038 20 10 CGCDRO CCOC1CCC([NH2+]Cc2c(C)cc(C)cc2O)CC1 ZINC001256431947 806896730 /nfs/dbraw/zinc/89/67/30/806896730.db2.gz PBNRAFBLYJQGIP-UHFFFAOYSA-N 1 0 277.408 3.446 20 10 CGCDRO COc1cccc(O)c1C[N@H+](C)[C@@H]1CC[C@H](SC)C1 ZINC001116444856 802352953 /nfs/dbraw/zinc/35/29/53/802352953.db2.gz BQLNLJNJGCGKQT-NEPJUHHUSA-N 1 0 281.421 3.117 20 10 CGCDRO CC(C)[C@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001116507825 802367965 /nfs/dbraw/zinc/36/79/65/802367965.db2.gz UYHUNSFGBAARAS-GOSISDBHSA-N 1 0 288.435 3.144 20 10 CGCDRO CO[C@@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)[C@@H](C)C1 ZINC001116908974 802427620 /nfs/dbraw/zinc/42/76/20/802427620.db2.gz MKWXFBOLPFWGNB-MAUKXSAKSA-N 1 0 288.435 3.286 20 10 CGCDRO C[C@@H](COCC1CC1)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001118248481 802541863 /nfs/dbraw/zinc/54/18/63/802541863.db2.gz WTJOUHNODFOHKU-HNNXBMFYSA-N 1 0 288.435 3.192 20 10 CGCDRO COc1ccc(C[N@@H+]2CCC[C@H](C(C)C)C2)c(O)c1OC ZINC001119959646 802713940 /nfs/dbraw/zinc/71/39/40/802713940.db2.gz UYGBISSGBHAEGM-ZDUSSCGKSA-N 1 0 293.407 3.277 20 10 CGCDRO COc1ccc(C[NH2+]CC[C@@H]2CC=CCC2)c(O)c1OC ZINC001120059184 802732416 /nfs/dbraw/zinc/73/24/16/802732416.db2.gz HEMVZVTUTYGKMN-CYBMUJFWSA-N 1 0 291.391 3.245 20 10 CGCDRO Oc1cccc2c1C[N@H+](Cc1cc3ccccc3[nH]1)CC2 ZINC001137320023 803714195 /nfs/dbraw/zinc/71/41/95/803714195.db2.gz UXRJDBRBOOIUII-UHFFFAOYSA-N 1 0 278.355 3.432 20 10 CGCDRO Cc1cc(CN(C)[C@@H]2CC[N@H+](C)C2)c(C)n1-c1ccccc1 ZINC001137857994 803786342 /nfs/dbraw/zinc/78/63/42/803786342.db2.gz RTNXXHQSSZADAA-LJQANCHMSA-N 1 0 297.446 3.230 20 10 CGCDRO Cc1c(C[NH+]2CC3(CCC3)C2)c2ccccc2n1C ZINC001138252327 803879572 /nfs/dbraw/zinc/87/95/72/803879572.db2.gz CEMHXYBJQLKYSZ-UHFFFAOYSA-N 1 0 254.377 3.473 20 10 CGCDRO Cc1c(C[N@H+]2CCC[C@H](C)[C@@H]2CO)c2ccccc2n1C ZINC001138252349 803879652 /nfs/dbraw/zinc/87/96/52/803879652.db2.gz CZONYFUMDRWKAV-UGSOOPFHSA-N 1 0 286.419 3.080 20 10 CGCDRO CC[C@H](C)[N@H+](C)Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138340153 803899204 /nfs/dbraw/zinc/89/92/04/803899204.db2.gz NCTDNAZOQMNQOM-ZDUSSCGKSA-N 1 0 288.435 3.321 20 10 CGCDRO CN1CCCc2cc(C[N@H+](C)C3CC(F)(F)C3)ccc21 ZINC001138354517 803900293 /nfs/dbraw/zinc/90/02/93/803900293.db2.gz MGWGAXROFWIDQO-UHFFFAOYSA-N 1 0 280.362 3.299 20 10 CGCDRO COC(C)(C)[C@H]1CCC[N@@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC001139672856 804248486 /nfs/dbraw/zinc/24/84/86/804248486.db2.gz JOVSQPJBAIMBOG-QGZVFWFLSA-N 1 0 290.451 3.450 20 10 CGCDRO CCN(CC[NH+](CC)CC)Cc1ccc(N(C)C)c(C)c1 ZINC001139671822 804248710 /nfs/dbraw/zinc/24/87/10/804248710.db2.gz NHQQQOQCZZXSIY-UHFFFAOYSA-N 1 0 291.483 3.225 20 10 CGCDRO COc1ccc(CC[N@H+](C)Cc2cc(F)ccc2O)cc1 ZINC001140055316 804362802 /nfs/dbraw/zinc/36/28/02/804362802.db2.gz RCPBMGFYWKPZKY-UHFFFAOYSA-N 1 0 289.350 3.214 20 10 CGCDRO CC1(C)OCCC12CC[NH+](Cc1cc(F)ccc1O)CC2 ZINC001140059895 804365444 /nfs/dbraw/zinc/36/54/44/804365444.db2.gz AHKAVOVQBZTZKU-UHFFFAOYSA-N 1 0 293.382 3.312 20 10 CGCDRO Cc1ccc(C)c(C[N@@H+]2CCc3ncsc3C2)c1O ZINC001140181585 804396073 /nfs/dbraw/zinc/39/60/73/804396073.db2.gz DKAXGZFUFQOVOK-UHFFFAOYSA-N 1 0 274.389 3.024 20 10 CGCDRO C[C@@]1(CO)CCC[N@H+](Cc2c(O)cccc2Cl)CC1 ZINC001140338125 804418805 /nfs/dbraw/zinc/41/88/05/804418805.db2.gz VYEMWMXBXMUSSK-OAHLLOKOSA-N 1 0 283.799 3.030 20 10 CGCDRO C[C@@]1(CO)CCC[N@H+](Cc2ccc(Cl)cc2O)CC1 ZINC001140462932 804441973 /nfs/dbraw/zinc/44/19/73/804441973.db2.gz OOHWWEBLMHMFDM-OAHLLOKOSA-N 1 0 283.799 3.030 20 10 CGCDRO Oc1cc(Cl)ccc1CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC001140467218 804444378 /nfs/dbraw/zinc/44/43/78/804444378.db2.gz QBBNTLVABXUMDX-OAHLLOKOSA-N 1 0 294.826 3.106 20 10 CGCDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2c([O-])cc(F)cc2F)C1 ZINC001140583322 804466884 /nfs/dbraw/zinc/46/68/84/804466884.db2.gz DYMVEYWFNDNOPD-NXEZZACHSA-N 1 0 255.308 3.148 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@](C)(F)CC2)c1 ZINC001140617106 804476295 /nfs/dbraw/zinc/47/62/95/804476295.db2.gz FEHMCKQFQSTION-HNNXBMFYSA-N 1 0 251.345 3.415 20 10 CGCDRO CCC(CC)[N@H+](C)Cc1ccc(N2CCOCC2)cc1F ZINC001140663491 804487521 /nfs/dbraw/zinc/48/75/21/804487521.db2.gz GPTQJEDXOZFWMF-UHFFFAOYSA-N 1 0 294.414 3.283 20 10 CGCDRO Cc1cc([C@H]2CCC[N@@H+]2Cc2ccc(O)c(C)c2O)no1 ZINC001140742159 804503518 /nfs/dbraw/zinc/50/35/18/804503518.db2.gz JCHCNZNKAWXAHK-CQSZACIVSA-N 1 0 288.347 3.040 20 10 CGCDRO Cc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(O)c(C)c2O)cn1 ZINC001140747503 804504214 /nfs/dbraw/zinc/50/42/14/804504214.db2.gz CCVWZUQQUYSXBD-INIZCTEOSA-N 1 0 298.386 3.447 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC(C)(C)C2)c(O)c1 ZINC001140855252 804533243 /nfs/dbraw/zinc/53/32/43/804533243.db2.gz UITGWEOQNRBMRK-UHFFFAOYSA-N 1 0 276.424 3.470 20 10 CGCDRO CCC[N@H+](C)Cc1ccc(N(CC)CC)cc1O ZINC001140851148 804533459 /nfs/dbraw/zinc/53/34/59/804533459.db2.gz DKCHXUWTIYHKCO-UHFFFAOYSA-N 1 0 250.386 3.080 20 10 CGCDRO CC[N@H+](Cc1ccccc1O)Cc1c(N)cccc1F ZINC001140877412 804541210 /nfs/dbraw/zinc/54/12/10/804541210.db2.gz NBDCXIMFWTYUGP-UHFFFAOYSA-N 1 0 274.339 3.136 20 10 CGCDRO CC(C)[C@@H]1COCCN1Cc1ccc(N(C)C)cc1Cl ZINC001140925722 804550711 /nfs/dbraw/zinc/55/07/11/804550711.db2.gz VGJAFWSVPPERRJ-INIZCTEOSA-N 1 0 296.842 3.263 20 10 CGCDRO CO[C@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2Cl)CC1 ZINC001140925840 804551090 /nfs/dbraw/zinc/55/10/90/804551090.db2.gz WQDZUDWURBAHCD-HNNXBMFYSA-N 1 0 296.842 3.407 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCC[C@H](Oc3cccnc3)C2)c(O)c1 ZINC001140949378 804555812 /nfs/dbraw/zinc/55/58/12/804555812.db2.gz ALWYOEDQARIIDL-KRWDZBQOSA-N 1 0 298.386 3.139 20 10 CGCDRO CN1CCOc2cc(C[N@@H+]3CCCCC34CC4)ccc21 ZINC001141144180 804596650 /nfs/dbraw/zinc/59/66/50/804596650.db2.gz CRRFOFCXXCEJIW-UHFFFAOYSA-N 1 0 272.392 3.034 20 10 CGCDRO C[C@@H]1CN(C)[C@@H](C)C[N@@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001143105117 804801656 /nfs/dbraw/zinc/80/16/56/804801656.db2.gz JXMGEJVZRJLZFU-UONOGXRCSA-N 1 0 290.451 3.214 20 10 CGCDRO Cc1c(O)cccc1C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC001144122209 804939353 /nfs/dbraw/zinc/93/93/53/804939353.db2.gz YGFXZWAOBGXZJW-UHFFFAOYSA-N 1 0 284.403 3.399 20 10 CGCDRO CCC(CC)[N@H+](CC)Cc1ccc(CC(=O)OC)cc1O ZINC001249207379 805113720 /nfs/dbraw/zinc/11/37/20/805113720.db2.gz FDFOPPYSKXOJRA-UHFFFAOYSA-N 1 0 293.407 3.118 20 10 CGCDRO CC1C[NH+](Cc2ccc3c(c2O)C=CC(C)(C)O3)C1 ZINC001249223935 805114973 /nfs/dbraw/zinc/11/49/73/805114973.db2.gz PPLMAZHBVXASCR-UHFFFAOYSA-N 1 0 259.349 3.028 20 10 CGCDRO CCC[C@H](C)CC[C@H](C)[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001257462619 807168059 /nfs/dbraw/zinc/16/80/59/807168059.db2.gz DPBBVQWWAFNWDF-DCGLDWPTSA-N 1 0 295.423 3.326 20 10 CGCDRO CCC[N@H+](Cc1csnc1OC)Cc1ccccc1O ZINC001167521830 807202803 /nfs/dbraw/zinc/20/28/03/807202803.db2.gz KHUGGNIXHAUGPP-UHFFFAOYSA-N 1 0 292.404 3.270 20 10 CGCDRO C[C@H]1C[C@H]([N@H+](C)Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001168128454 807316529 /nfs/dbraw/zinc/31/65/29/807316529.db2.gz QQJHGKPDPQCXTR-MAUKXSAKSA-N 1 0 288.435 3.286 20 10 CGCDRO Oc1cc(O)c(CC[NH2+]C2CCCCCCC2)cc1O ZINC001258234308 807380256 /nfs/dbraw/zinc/38/02/56/807380256.db2.gz RHWQDBDQUCNIHU-UHFFFAOYSA-N 1 0 279.380 3.048 20 10 CGCDRO Oc1ccc(CNc2ccc([C@@H]3CCC[NH2+]C3)cc2)cc1O ZINC001169997376 807736702 /nfs/dbraw/zinc/73/67/02/807736702.db2.gz UIWBQVQPBZJUNO-OAHLLOKOSA-N 1 0 298.386 3.177 20 10 CGCDRO CC[C@@H]1C[C@H]([N@H+](CC)Cc2ccccc2O)CCO1 ZINC001170235220 807799437 /nfs/dbraw/zinc/79/94/37/807799437.db2.gz KUYJVHGPZPPKIU-HUUCEWRRSA-N 1 0 263.381 3.172 20 10 CGCDRO Fc1cccc2c1C[C@H]([NH2+]Cc1ccc3c(c1)CCO3)CC2 ZINC001170954702 807944562 /nfs/dbraw/zinc/94/45/62/807944562.db2.gz BTBKXMIBORZHDB-MRXNPFEDSA-N 1 0 297.373 3.408 20 10 CGCDRO Cc1cccc2c1CC[C@H]([NH2+]CCc1ccc(O)c(O)c1)C2 ZINC001171553096 808092797 /nfs/dbraw/zinc/09/27/97/808092797.db2.gz LZGAWDMPZUHTDM-INIZCTEOSA-N 1 0 297.398 3.096 20 10 CGCDRO CC[C@H](C)OCC[C@@H](C)[NH2+]Cc1ccccc1O ZINC001172315699 808227181 /nfs/dbraw/zinc/22/71/81/808227181.db2.gz CPWZBIWEWADCTH-OLZOCXBDSA-N 1 0 251.370 3.076 20 10 CGCDRO CC[C@@H](C)OCC[C@@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC001172320657 808230391 /nfs/dbraw/zinc/23/03/91/808230391.db2.gz YWXNYQUMVYPZQL-ZIAGYGMSSA-N 1 0 277.408 3.305 20 10 CGCDRO CC(C)COCC[C@@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC001172460698 808330317 /nfs/dbraw/zinc/33/03/17/808330317.db2.gz UGOKYQHCMPSELV-KGLIPLIRSA-N 1 0 265.397 3.494 20 10 CGCDRO CC[N@H+](Cc1ccccc1O)[C@@H]1CCc2ncsc2C1 ZINC001173143976 808525849 /nfs/dbraw/zinc/52/58/49/808525849.db2.gz QWTAEPQQYGKQCP-CYBMUJFWSA-N 1 0 288.416 3.228 20 10 CGCDRO CN1CC2(C1)CCC[N@H+](Cc1ccc3ccccc3c1O)C2 ZINC001276373977 809005629 /nfs/dbraw/zinc/00/56/29/809005629.db2.gz NCNZITUOIDDUGK-UHFFFAOYSA-N 1 0 296.414 3.073 20 10 CGCDRO COc1ccc(N2CCC[C@]3(CCC[N@H+](C)C3)C2)cc1F ZINC001277009549 809053143 /nfs/dbraw/zinc/05/31/43/809053143.db2.gz JPWSZUIEYSXMGV-KRWDZBQOSA-N 1 0 292.398 3.147 20 10 CGCDRO Oc1ccc(CCC[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC001177804576 809824298 /nfs/dbraw/zinc/82/42/98/809824298.db2.gz QJSSLQMIGSZVSX-UHFFFAOYSA-N 1 0 283.371 3.050 20 10 CGCDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1(C)C ZINC001178304508 809859622 /nfs/dbraw/zinc/85/96/22/809859622.db2.gz KCCMNYHBYOHSHW-CSMYWGQOSA-N 1 0 289.419 3.161 20 10 CGCDRO CO[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)C12CCC2 ZINC001178916205 809894108 /nfs/dbraw/zinc/89/41/08/809894108.db2.gz BSSNRIZNAJZCMV-IAGOWNOFSA-N 1 0 287.403 3.059 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@H]2CCN(CCC)C2)cc1C ZINC001179238441 809910560 /nfs/dbraw/zinc/91/05/60/809910560.db2.gz NQWJYONOWKOYSN-KRWDZBQOSA-N 1 0 290.451 3.358 20 10 CGCDRO CCC1(CC)CC[N@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC001180272015 809987321 /nfs/dbraw/zinc/98/73/21/809987321.db2.gz WUZYUIKSVVOKIL-UHFFFAOYSA-N 1 0 293.407 3.422 20 10 CGCDRO CC(C)[C@@H]1CC[N@@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC001180326371 809993298 /nfs/dbraw/zinc/99/32/98/809993298.db2.gz KNCVIRRRAYITIL-OSJSJHBBSA-N 1 0 258.409 3.496 20 10 CGCDRO CO[C@@H](C)[C@H](C)[NH2+]Cc1cc(C(C)C)ccc1O ZINC001180906575 810026799 /nfs/dbraw/zinc/02/67/99/810026799.db2.gz NFKAQWPAORATPS-RYUDHWBXSA-N 1 0 251.370 3.029 20 10 CGCDRO C[N@@H+](Cc1ccc(N2CCCC2)cc1)C[C@H]1CCC=CO1 ZINC001181554454 810059237 /nfs/dbraw/zinc/05/92/37/810059237.db2.gz DRJAFQHGYNPEGU-GOSISDBHSA-N 1 0 286.419 3.411 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2c(Cl)ccnc2F)c1 ZINC001182959255 810132033 /nfs/dbraw/zinc/13/20/33/810132033.db2.gz ISESDGJXIYQOBV-UHFFFAOYSA-N 1 0 280.730 3.178 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2nc(-c3ccccc3)c[nH]2)c1 ZINC001182958818 810132471 /nfs/dbraw/zinc/13/24/71/810132471.db2.gz DDEPSSAHGNLZLG-UHFFFAOYSA-N 1 0 293.370 3.381 20 10 CGCDRO CO[C@@H](C[NH2+]Cc1ccc(Cl)cc1O)C1CCCC1 ZINC001183059019 810136205 /nfs/dbraw/zinc/13/62/05/810136205.db2.gz JNJIAHKMKCHYFH-HNNXBMFYSA-N 1 0 283.799 3.340 20 10 CGCDRO Oc1cc(Cl)ccc1C[NH2+][C@H](C1CCC1)[C@H]1CCOC1 ZINC001183406121 810148087 /nfs/dbraw/zinc/14/80/87/810148087.db2.gz BXEUMEGPXYEYHD-XJKSGUPXSA-N 1 0 295.810 3.340 20 10 CGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CCS[C@H](C)C2)c1 ZINC001183463050 810149026 /nfs/dbraw/zinc/14/90/26/810149026.db2.gz ASXJOWOWEJXDFB-GFCCVEGCSA-N 1 0 265.422 3.453 20 10 CGCDRO Oc1cc(Cl)ccc1C[NH2+]CC1(Br)CC1 ZINC001184115270 810177966 /nfs/dbraw/zinc/17/79/66/810177966.db2.gz BRRAHYOOFDBBGU-UHFFFAOYSA-N 1 0 290.588 3.063 20 10 CGCDRO CC(C)[NH+](CCNCc1ccc2c(c1)CCCO2)C(C)C ZINC001198908581 811551229 /nfs/dbraw/zinc/55/12/29/811551229.db2.gz UMGQEQZUGNAFJG-UHFFFAOYSA-N 1 0 290.451 3.220 20 10 CGCDRO C[C@@H](Cc1ccco1)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001199218062 811563474 /nfs/dbraw/zinc/56/34/74/811563474.db2.gz BCPCSWMIULGKHE-ZDUSSCGKSA-N 1 0 271.360 3.325 20 10 CGCDRO COc1cc(C[NH2+]C[C@@H]2C[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC001199275256 811568091 /nfs/dbraw/zinc/56/80/91/811568091.db2.gz GWRHQMQTJWKNCT-NEPJUHHUSA-N 1 0 277.408 3.444 20 10 CGCDRO c1ccc2c(c1)C[C@@H]2C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001200204434 811645410 /nfs/dbraw/zinc/64/54/10/811645410.db2.gz RNERNNUZKXOCTF-QGZVFWFLSA-N 1 0 279.383 3.441 20 10 CGCDRO CCCCC[NH+]1CCN(c2ccc(OC)cc2OC)CC1 ZINC001201744929 811955290 /nfs/dbraw/zinc/95/52/90/811955290.db2.gz RNSWPIVIMDIBJL-UHFFFAOYSA-N 1 0 292.423 3.016 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C[C@]2(C)C[C@H]3C[C@H]3C2)cc1F ZINC001203327586 812312035 /nfs/dbraw/zinc/31/20/35/812312035.db2.gz MEICJLGGBORBCR-XOIINTDNSA-N 1 0 276.399 3.418 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC001203556546 812390908 /nfs/dbraw/zinc/39/09/08/812390908.db2.gz RUTOWJRCQCKXHI-CQSZACIVSA-N 1 0 268.360 3.167 20 10 CGCDRO COc1cccc(C[N@@H+]2CC[C@@H]3CCC[C@@H]3C2)c1O ZINC001203589084 812401630 /nfs/dbraw/zinc/40/16/30/812401630.db2.gz DDKBHKMLNMISNN-QWHCGFSZSA-N 1 0 261.365 3.023 20 10 CGCDRO COc1ccc(C[N@@H+]2CCc3cccc(O)c3C2)cc1F ZINC001203792565 812464158 /nfs/dbraw/zinc/46/41/58/812464158.db2.gz XJBWNAYLQLCKQU-UHFFFAOYSA-N 1 0 287.334 3.098 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](Oc3ccccc3)C2)cc1 ZINC001203934356 812496050 /nfs/dbraw/zinc/49/60/50/812496050.db2.gz RSMCYBOPFNCMGY-LJQANCHMSA-N 1 0 296.414 3.406 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](C(C)=O)C2)cc1 ZINC001203942436 812497471 /nfs/dbraw/zinc/49/74/71/812497471.db2.gz QMNKRRSVHUPVES-QGZVFWFLSA-N 1 0 288.435 3.334 20 10 CGCDRO CC1(C)CCC2(CC[NH+](Cc3ccc(O)cc3O)CC2)O1 ZINC001204278201 812594252 /nfs/dbraw/zinc/59/42/52/812594252.db2.gz XUAQZVKPNJGZOI-UHFFFAOYSA-N 1 0 291.391 3.021 20 10 CGCDRO CCC[N@H+](CCOC)Cc1ccc(N2CCCC2)cc1 ZINC001204320288 812611973 /nfs/dbraw/zinc/61/19/73/812611973.db2.gz RHASBGCCKPRUKU-UHFFFAOYSA-N 1 0 276.424 3.145 20 10 CGCDRO CC(C)c1ccc(O)c(CN2CCC[N@@H+]3CCC[C@H]3C2)c1 ZINC001204423091 812633648 /nfs/dbraw/zinc/63/36/48/812633648.db2.gz VBBQBNHPVHBZDT-KRWDZBQOSA-N 1 0 288.435 3.186 20 10 CGCDRO CC(C)(C)c1cc(O)c(CN2CC[C@](C)([NH3+])C2)cc1Cl ZINC001204810080 812742731 /nfs/dbraw/zinc/74/27/31/812742731.db2.gz MUOILWNDGMCTJG-INIZCTEOSA-N 1 0 296.842 3.266 20 10 CGCDRO [NH3+]C[C@H]1CCCCN1Cc1cccc(-c2ccccc2)c1O ZINC001204932864 812782646 /nfs/dbraw/zinc/78/26/46/812782646.db2.gz NXQXJTZWDQDNTE-QGZVFWFLSA-N 1 0 296.414 3.372 20 10 CGCDRO CN(C)c1ccc(CN2CCC[C@@](C)([NH3+])C2)c2ccccc21 ZINC001204938853 812787039 /nfs/dbraw/zinc/78/70/39/812787039.db2.gz NMNSBWFLMYTBFV-LJQANCHMSA-N 1 0 297.446 3.219 20 10 CGCDRO C[C@H]1CC[C@H](C[NH3+])N(Cc2cccc(C(C)(C)C)c2O)C1 ZINC001205831188 813101933 /nfs/dbraw/zinc/10/19/33/813101933.db2.gz WUMKLOWILQRCPT-DZGCQCFKSA-N 1 0 290.451 3.249 20 10 CGCDRO CCC1(C)C[NH+](Cc2ccc(Br)cc2O)C1 ZINC001206194521 813234749 /nfs/dbraw/zinc/23/47/49/813234749.db2.gz HSOOYBHJUJEKLQ-UHFFFAOYSA-N 1 0 284.197 3.387 20 10 CGCDRO CCOC[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1O ZINC001206239354 813251649 /nfs/dbraw/zinc/25/16/49/813251649.db2.gz FEHZFTRSZMDDFI-AWEZNQCLSA-N 1 0 283.799 3.437 20 10 CGCDRO Cc1cc(CN2CC[NH2+]C[C@H](C)C2)c(C)n1-c1ccccc1 ZINC001206269892 813266233 /nfs/dbraw/zinc/26/62/33/813266233.db2.gz XGNVFZNBLRMLCE-HNNXBMFYSA-N 1 0 297.446 3.135 20 10 CGCDRO Nc1ccc(N(c2ccc(N)cc2)c2cc[nH+]c(N)c2)cc1 ZINC001206568215 813356633 /nfs/dbraw/zinc/35/66/33/813356633.db2.gz KYVRPQFXUJTTAN-UHFFFAOYSA-N 1 0 291.358 3.298 20 10 CGCDRO C[N@@H+](Cc1ccccc1O)C[C@H]1CCOC(C)(C)C1 ZINC001207362742 813551593 /nfs/dbraw/zinc/55/15/93/813551593.db2.gz JRYWDAXUFAVBGZ-ZDUSSCGKSA-N 1 0 263.381 3.029 20 10 CGCDRO C[N@@H+](Cc1ccc(N2CCCC2)cc1)C[C@@H]1CCCOC1 ZINC001207467466 813569914 /nfs/dbraw/zinc/56/99/14/813569914.db2.gz FRHMYEKCTCSTGI-KRWDZBQOSA-N 1 0 288.435 3.145 20 10 CGCDRO CC[C@@H](CCC(=O)OC)C[N@H+](CC)Cc1ccccc1O ZINC001208785803 813847113 /nfs/dbraw/zinc/84/71/13/813847113.db2.gz ISCFEWXNGUJEHI-AWEZNQCLSA-N 1 0 293.407 3.194 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CCC[C@@H](O)CC2)cc1 ZINC001209519038 814072435 /nfs/dbraw/zinc/07/24/35/814072435.db2.gz QNDMCSRHVHVOSJ-LJQANCHMSA-N 1 0 298.430 3.441 20 10 CGCDRO Cc1[nH]c2ncccc2c1C[N@@H+](C)Cc1ccccc1O ZINC001209592961 814095140 /nfs/dbraw/zinc/09/51/40/814095140.db2.gz MJSLNVTVMQIBEG-UHFFFAOYSA-N 1 0 281.359 3.209 20 10 CGCDRO CC[N@H+](Cc1cn(C)c2ncccc12)Cc1ccccc1O ZINC001209751431 814128170 /nfs/dbraw/zinc/12/81/70/814128170.db2.gz QKJFVQLKFDTINB-UHFFFAOYSA-N 1 0 295.386 3.301 20 10 CGCDRO c1ccn(-c2ccc(-c3nnc([C@@H]4CCCC[NH2+]4)o3)cc2)c1 ZINC001217694289 815938490 /nfs/dbraw/zinc/93/84/90/815938490.db2.gz GDZDRKYATIBGIN-HNNXBMFYSA-N 1 0 294.358 3.342 20 10 CGCDRO Cc1ccc(C)c(CN2CCC[C@@]3(CCCC[NH2+]3)C2)c1O ZINC001222390483 816428263 /nfs/dbraw/zinc/42/82/63/816428263.db2.gz PTDQIEDLRYCIHD-SFHVURJKSA-N 1 0 288.435 3.117 20 10 CGCDRO CC(C)(C)c1cccc(CN2CC[C@@]3(CCC[NH2+]3)C2)c1O ZINC001222471805 816452967 /nfs/dbraw/zinc/45/29/67/816452967.db2.gz YNALWPNBBAHYTC-SFHVURJKSA-N 1 0 288.435 3.018 20 10 CGCDRO CCCOC1C[NH+](Cc2c(O)ccc3ccccc32)C1 ZINC001231590371 818130377 /nfs/dbraw/zinc/13/03/77/818130377.db2.gz WYXMCCOXYWBOIQ-UHFFFAOYSA-N 1 0 271.360 3.156 20 10 CGCDRO Cc1nc2c(o1)CCN(Cc1c(O)ccc3ccccc31)C2 ZINC001231589317 818130500 /nfs/dbraw/zinc/13/05/00/818130500.db2.gz GKDWNEPWXUMXEE-UHFFFAOYSA-N 1 0 294.354 3.400 20 10 CGCDRO CCC[N@H+](Cc1cc(OC)c(O)cc1O)[C@@H](C)CC ZINC001231634688 818143522 /nfs/dbraw/zinc/14/35/22/818143522.db2.gz QSVMILNBDNZCTF-NSHDSACASA-N 1 0 267.369 3.117 20 10 CGCDRO COc1cc(C[N@@H+]2CCC3(C2)CCCCC3)c(O)cc1O ZINC001231640206 818143718 /nfs/dbraw/zinc/14/37/18/818143718.db2.gz RBCKXYUMUYGYQM-UHFFFAOYSA-N 1 0 291.391 3.263 20 10 CGCDRO Cc1cc(C)c(C[N@@H+]2CC[C@](C)(F)[C@H](F)C2)c(O)c1 ZINC001231842190 818185735 /nfs/dbraw/zinc/18/57/35/818185735.db2.gz KQMWGXDQMUEQRS-CABCVRRESA-N 1 0 269.335 3.281 20 10 CGCDRO Cc1cc(C)c(C[N@@H+]2CC[C@](C)(CF)C2)c(O)c1 ZINC001231841365 818186195 /nfs/dbraw/zinc/18/61/95/818186195.db2.gz APFVSHRHNCGARA-OAHLLOKOSA-N 1 0 251.345 3.191 20 10 CGCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCCC1(C)C ZINC001231849011 818186930 /nfs/dbraw/zinc/18/69/30/818186930.db2.gz MNJPUZAKMBYTGP-UHFFFAOYSA-N 1 0 262.397 3.136 20 10 CGCDRO Cc1cc(C)c(C[NH+]2CCC(OC(C)C)CC2)c(O)c1 ZINC001231845873 818187237 /nfs/dbraw/zinc/18/72/37/818187237.db2.gz SDGFEENPZUWXSQ-UHFFFAOYSA-N 1 0 277.408 3.398 20 10 CGCDRO CO[C@H]1CC[N@H+](Cc2c(C)cc(C)cc2O)[C@@H](C)C1 ZINC001231850937 818189304 /nfs/dbraw/zinc/18/93/04/818189304.db2.gz XGNLTLWVPUXCOT-KBPBESRZSA-N 1 0 263.381 3.008 20 10 CGCDRO CCCOc1ncccc1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001231867923 818192298 /nfs/dbraw/zinc/19/22/98/818192298.db2.gz ZHLMWVFIQIDBKZ-UHFFFAOYSA-N 1 0 298.386 3.134 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCCC[C@](C)(O)C2)cc1Cl ZINC001231869805 818194414 /nfs/dbraw/zinc/19/44/14/818194414.db2.gz ZHAPDPHVTIYPDL-HNNXBMFYSA-N 1 0 283.799 3.091 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2C[C@@H]3C(=O)CCC[C@@H]3C2)cc1Cl ZINC001231871981 818194473 /nfs/dbraw/zinc/19/44/73/818194473.db2.gz TWZUEPIIZGQQTI-YPMHNXCESA-N 1 0 293.794 3.155 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H]3CCCO[C@H]3C2)cc1Cl ZINC001231868827 818194603 /nfs/dbraw/zinc/19/46/03/818194603.db2.gz ZBCZDJTXSLNATM-WBMJQRKESA-N 1 0 295.810 3.355 20 10 CGCDRO Oc1c(C[N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)ccc2ccccc21 ZINC001231882740 818201535 /nfs/dbraw/zinc/20/15/35/818201535.db2.gz UHMPZNOJAXAEAK-OFQRWUPVSA-N 1 0 271.335 3.478 20 10 CGCDRO CSC1CC[NH+](Cc2cc(Cl)c(O)cc2O)CC1 ZINC001232267554 818297874 /nfs/dbraw/zinc/29/78/74/818297874.db2.gz JCPCYADZDSCQDP-UHFFFAOYSA-N 1 0 287.812 3.079 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H]3C[C@H]32)cc1Cl ZINC001232268381 818299675 /nfs/dbraw/zinc/29/96/75/818299675.db2.gz MTLMAMQJWBXELN-JOYOIKCWSA-N 1 0 267.756 3.039 20 10 CGCDRO CC[C@@H](C)[N@H+](C)Cc1c2ccccc2n(C)c1C(=O)OC ZINC001232401102 818340321 /nfs/dbraw/zinc/34/03/21/818340321.db2.gz PPLDBNAFKLDMMP-GFCCVEGCSA-N 1 0 288.391 3.195 20 10 CGCDRO CC[C@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2O)C1 ZINC001232840215 818453038 /nfs/dbraw/zinc/45/30/38/818453038.db2.gz POUBXCGPRCLHDJ-ZDUSSCGKSA-N 1 0 262.397 3.080 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)c(O)c1 ZINC001232840031 818453103 /nfs/dbraw/zinc/45/31/03/818453103.db2.gz KKPWAFQAOOARKD-XJKSGUPXSA-N 1 0 274.408 3.223 20 10 CGCDRO Cc1ccc(C[N@@H+](C)Cc2ccc(N(C)C)cc2O)cc1 ZINC001232839792 818453538 /nfs/dbraw/zinc/45/35/38/818453538.db2.gz VGWCOVQJCSTFTN-UHFFFAOYSA-N 1 0 284.403 3.399 20 10 CGCDRO CC[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2O)C1 ZINC001232840214 818453729 /nfs/dbraw/zinc/45/37/29/818453729.db2.gz POUBXCGPRCLHDJ-CYBMUJFWSA-N 1 0 262.397 3.080 20 10 CGCDRO Oc1cc(C[N@@H+]2CC[C@@H](C3CCCCC3)C2)cc(O)c1O ZINC001233017560 818502044 /nfs/dbraw/zinc/50/20/44/818502044.db2.gz XHIRVHMPYNXZAL-CQSZACIVSA-N 1 0 291.391 3.206 20 10 CGCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CC[C@@H](F)C2)c1 ZINC001233284026 818565702 /nfs/dbraw/zinc/56/57/02/818565702.db2.gz FBSSOBLTWCFDBS-CYBMUJFWSA-N 1 0 251.345 3.234 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2cc(C(C)(C)C)ccc2O)CCC[C@H]1O ZINC001233283898 818566078 /nfs/dbraw/zinc/56/60/78/818566078.db2.gz AAJSTIHPAKYYTO-CZUORRHYSA-N 1 0 291.435 3.283 20 10 CGCDRO C[C@H]1C[N@H+](Cc2cc(C(C)(C)C)ccc2O)CC[C@@]1(C)O ZINC001233284035 818566703 /nfs/dbraw/zinc/56/67/03/818566703.db2.gz FJQKCVMACWGMII-SCLBCKFNSA-N 1 0 291.435 3.283 20 10 CGCDRO C[N@H+](Cc1cc(C(C)(C)C)ccc1O)CC1(C)COC1 ZINC001233286102 818568727 /nfs/dbraw/zinc/56/87/27/818568727.db2.gz FORNYRQPKMDGEW-UHFFFAOYSA-N 1 0 277.408 3.158 20 10 CGCDRO C[C@@H]1C[N@@H+](Cc2cc(C(C)(C)C)ccc2O)C[C@H](C)N1C ZINC001233286536 818568776 /nfs/dbraw/zinc/56/87/76/818568776.db2.gz XZGZNCKEHQWKKQ-OKILXGFUSA-N 1 0 290.451 3.214 20 10 CGCDRO CC[C@H]1CCC[N@H+](Cc2c([O-])ccc(F)c2F)C1 ZINC001233335263 818586573 /nfs/dbraw/zinc/58/65/73/818586573.db2.gz OBQZHNTXFOOPIV-JTQLQIEISA-N 1 0 255.308 3.292 20 10 CGCDRO Oc1cc(C(F)(F)F)ccc1C[N@@H+]1C[C@H]2CC[C@@H]1C2 ZINC001233454967 818624071 /nfs/dbraw/zinc/62/40/71/818624071.db2.gz QNDPJBRLQOINQM-JOYOIKCWSA-N 1 0 271.282 3.395 20 10 CGCDRO CCN1CCc2cc(O[C@H](C)C[NH+](CC)CC)ccc21 ZINC001233608216 818657461 /nfs/dbraw/zinc/65/74/61/818657461.db2.gz RRPUEXJWOSNZRL-CQSZACIVSA-N 1 0 276.424 3.178 20 10 CGCDRO Oc1c(C[N@@H+]2CCC[C@H](F)C2)cccc1OC(F)(F)F ZINC001233754854 818697879 /nfs/dbraw/zinc/69/78/79/818697879.db2.gz NBGMENVDAQVYIB-JTQLQIEISA-N 1 0 293.260 3.225 20 10 CGCDRO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1cccc(-c2ccccc2)c1O ZINC001234990606 818970117 /nfs/dbraw/zinc/97/01/17/818970117.db2.gz IHSNRMNNPPAZSB-RHSMWYFYSA-N 1 0 297.398 3.404 20 10 CGCDRO C[C@H]1COCC[N@@H+]1Cc1cccc(-c2ccccc2)c1O ZINC001234992814 818970300 /nfs/dbraw/zinc/97/03/00/818970300.db2.gz RVZAQISIPRPKJJ-AWEZNQCLSA-N 1 0 283.371 3.280 20 10 CGCDRO C[N@H+](Cc1cccc(-c2ccccc2)c1O)C1(C)COC1 ZINC001234996641 818971603 /nfs/dbraw/zinc/97/16/03/818971603.db2.gz LDTJUPMAOMBBBH-UHFFFAOYSA-N 1 0 283.371 3.280 20 10 CGCDRO Oc1cc(Cl)ccc1CN1CCCC[C@@]12CCC[NH2+]C2 ZINC001235168338 819021106 /nfs/dbraw/zinc/02/11/06/819021106.db2.gz QSLXSJSNRUWTHU-INIZCTEOSA-N 1 0 294.826 3.154 20 10 CGCDRO CC(C)(C)c1ccc(C[N@@H+]2CCC[C@H](CO)CC2)c(O)c1 ZINC001235674084 819135647 /nfs/dbraw/zinc/13/56/47/819135647.db2.gz DOBDIGPURHEDMF-AWEZNQCLSA-N 1 0 291.435 3.284 20 10 CGCDRO C[N@H+](Cc1ccc(C(C)(C)C)cc1O)[C@H]1CCCOC1 ZINC001235679429 819137952 /nfs/dbraw/zinc/13/79/52/819137952.db2.gz FGCXQOYKSFRPJP-HNNXBMFYSA-N 1 0 277.408 3.301 20 10 CGCDRO CC(C)(C)c1ccc(C[N@@H+]2CCC(=O)C(C)(C)C2)c(O)c1 ZINC001235681344 819139780 /nfs/dbraw/zinc/13/97/80/819139780.db2.gz ZYNHIGVNIVYROG-UHFFFAOYSA-N 1 0 289.419 3.491 20 10 CGCDRO C[NH2+][C@H]1CCN1Cc1cc(Cl)c(C(C)(C)C)cc1O ZINC001236166899 819353309 /nfs/dbraw/zinc/35/33/09/819353309.db2.gz JIHQGXHHILOLPX-CQSZACIVSA-N 1 0 282.815 3.094 20 10 CGCDRO Cc1cc(Cl)cc(CN(C)[C@@H]2CCCC[C@H]2[NH3+])c1O ZINC001236212893 819374122 /nfs/dbraw/zinc/37/41/22/819374122.db2.gz AIDAMCXWINRQBP-ZIAGYGMSSA-N 1 0 282.815 3.056 20 10 CGCDRO CN(C)c1ccc(CN(C)[C@@H]2CCCC[C@@H]2[NH3+])c(Cl)c1 ZINC001236213305 819376311 /nfs/dbraw/zinc/37/63/11/819376311.db2.gz ASPYPEUHIUQGND-JKSUJKDBSA-N 1 0 295.858 3.108 20 10 CGCDRO Cc1cc(O)c(CN(C)[C@@H]2CCCC[C@H]2[NH3+])cc1Cl ZINC001236214704 819377513 /nfs/dbraw/zinc/37/75/13/819377513.db2.gz DTZITHLSZAVRJE-ZIAGYGMSSA-N 1 0 282.815 3.056 20 10 CGCDRO CCc1ccc(C[N@@H+]2CCc3ccc(N)cc3C2)c(O)c1 ZINC001236232076 819393974 /nfs/dbraw/zinc/39/39/74/819393974.db2.gz AXYJYUSUBMYGTM-UHFFFAOYSA-N 1 0 282.387 3.095 20 10 CGCDRO Cc1cc(Cl)cc(CN(C2CC2)[C@@H]2CCC[NH2+]C2)c1O ZINC001236242067 819400677 /nfs/dbraw/zinc/40/06/77/819400677.db2.gz UZYYYAZJEOMTDE-OAHLLOKOSA-N 1 0 294.826 3.070 20 10 CGCDRO CCCN(Cc1cccc(C(C)(C)C)c1O)[C@H]1CC[NH2+]C1 ZINC001236323976 819425749 /nfs/dbraw/zinc/42/57/49/819425749.db2.gz OAHBMOQBPSRUNM-HNNXBMFYSA-N 1 0 290.451 3.264 20 10 CGCDRO C[C@H]1[C@@H]([NH3+])CCCN1Cc1ccc(N(C)C)c2ccccc12 ZINC001236420485 819467325 /nfs/dbraw/zinc/46/73/25/819467325.db2.gz MTYHFOHBERDWCP-KSSFIOAISA-N 1 0 297.446 3.217 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CCCC[C@@](C)(F)C2)cc1OC ZINC001236749519 819589924 /nfs/dbraw/zinc/58/99/24/819589924.db2.gz JEQAKRXOTLDOHF-MRXNPFEDSA-N 1 0 297.370 3.124 20 10 CGCDRO C[N@H+](Cc1cc(O)c(Br)cc1O)C(C)(C)C ZINC001236776306 819593658 /nfs/dbraw/zinc/59/36/58/819593658.db2.gz VJRZIMYAZQPUCO-UHFFFAOYSA-N 1 0 288.185 3.091 20 10 CGCDRO CCc1ccc(C[N@@H+]2CCC(=O)[C@@H]3CCCC[C@@H]32)c(O)c1 ZINC001236783973 819594091 /nfs/dbraw/zinc/59/40/91/819594091.db2.gz QPDCEPOTAAEGMR-CVEARBPZSA-N 1 0 287.403 3.288 20 10 CGCDRO CC[N@H+](C)Cc1cc(OCc2ccccc2)ccc1O ZINC001236790957 819594577 /nfs/dbraw/zinc/59/45/77/819594577.db2.gz CYZNUJHMBRDRER-UHFFFAOYSA-N 1 0 271.360 3.423 20 10 CGCDRO COc1cc(O)c(C[N@H+](C)C(C)(C)C)c(Cl)c1 ZINC001236798633 819600292 /nfs/dbraw/zinc/60/02/92/819600292.db2.gz GVSWWUVBFVGXRB-UHFFFAOYSA-N 1 0 257.761 3.285 20 10 CGCDRO COc1cc(C)c(C[N@H+]2C[C@H](C)C[C@H](C)C2)c(O)c1 ZINC001236810959 819603949 /nfs/dbraw/zinc/60/39/49/819603949.db2.gz LYCUYBKDYFYJRI-TXEJJXNPSA-N 1 0 263.381 3.187 20 10 CGCDRO C[C@]1(O)CCC[N@H+](Cc2cc3ccccc3cc2O)CC1 ZINC001236827448 819610138 /nfs/dbraw/zinc/61/01/38/819610138.db2.gz SDLKANNCIVDMTM-SFHVURJKSA-N 1 0 285.387 3.282 20 10 CGCDRO CC[N@H+](CCCC(=O)OC)Cc1ccc(C(C)C)cc1O ZINC001237046098 819650485 /nfs/dbraw/zinc/65/04/85/819650485.db2.gz PKYQOCMDYMQRNA-UHFFFAOYSA-N 1 0 293.407 3.291 20 10 CGCDRO CC(C)c1ccc(C[N@H+](C)[C@H]2CCCOC2)c(O)c1 ZINC001237052440 819652940 /nfs/dbraw/zinc/65/29/40/819652940.db2.gz ZEOVGNISWCSVEF-HNNXBMFYSA-N 1 0 263.381 3.126 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2CCOC[C@@H]2C2CC2)c(O)c1 ZINC001237055479 819654517 /nfs/dbraw/zinc/65/45/17/819654517.db2.gz PGGBXIOJMCBNMS-MRXNPFEDSA-N 1 0 275.392 3.126 20 10 CGCDRO C[N@@H+](Cc1c(O)ccc(F)c1Cl)C[C@H]1CCCCO1 ZINC001237127081 819672966 /nfs/dbraw/zinc/67/29/66/819672966.db2.gz UEJBSRXJTNBCDS-SNVBAGLBSA-N 1 0 287.762 3.186 20 10 CGCDRO C[N@@H+](Cc1c(O)ccc(F)c1Cl)CC1CCC1 ZINC001237126445 819673968 /nfs/dbraw/zinc/67/39/68/819673968.db2.gz LEIOXSPSQXEYMM-UHFFFAOYSA-N 1 0 257.736 3.417 20 10 CGCDRO CCC[N@H+](CCOC)Cc1cc(C(F)(F)F)ccc1O ZINC001237135154 819674911 /nfs/dbraw/zinc/67/49/11/819674911.db2.gz GBMCPJMHFIBKBW-UHFFFAOYSA-N 1 0 291.313 3.269 20 10 CGCDRO COC1CC[NH+](Cc2cc(C(F)(F)F)ccc2O)CC1 ZINC001237138803 819677329 /nfs/dbraw/zinc/67/73/29/819677329.db2.gz YZPAXNAAPKQEQM-UHFFFAOYSA-N 1 0 289.297 3.022 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@H](F)C(F)(F)CC1 ZINC001237483261 819760823 /nfs/dbraw/zinc/76/08/23/819760823.db2.gz PHARHMQEXJDLKW-CYBMUJFWSA-N 1 0 273.298 3.270 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@H](Oc2cccnc2)C1 ZINC001237490213 819763766 /nfs/dbraw/zinc/76/37/66/819763766.db2.gz SALLLSOCUJPXAW-MRXNPFEDSA-N 1 0 298.386 3.139 20 10 CGCDRO Cc1cccc(O)c1C[N@H+](C1CCC1)C1CCOCC1 ZINC001237496657 819764910 /nfs/dbraw/zinc/76/49/10/819764910.db2.gz ZQSJOMMNCGHWFW-UHFFFAOYSA-N 1 0 275.392 3.234 20 10 CGCDRO CC[N@H+](CCCC(=O)OC)Cc1cc(Cl)cc(C)c1O ZINC001237681758 819806039 /nfs/dbraw/zinc/80/60/39/819806039.db2.gz QIKOAKDADKBHQI-UHFFFAOYSA-N 1 0 299.798 3.129 20 10 CGCDRO Cc1cc(Cl)cc(C[NH+]2CC3(CCC3)C2)c1O ZINC001237680769 819806982 /nfs/dbraw/zinc/80/69/82/819806982.db2.gz HETMEKPZTRLRRB-UHFFFAOYSA-N 1 0 251.757 3.340 20 10 CGCDRO CC[N@H+](Cc1occc1OC)Cc1ccccc1O ZINC001237873600 819863161 /nfs/dbraw/zinc/86/31/61/819863161.db2.gz GOZWKPKGQPJZKP-UHFFFAOYSA-N 1 0 261.321 3.016 20 10 CGCDRO Cc1cc(F)cc(C[NH+]2CCC(CF)CC2)c1O ZINC001238062869 819920731 /nfs/dbraw/zinc/92/07/31/819920731.db2.gz TUVXMLPVYNHXCV-UHFFFAOYSA-N 1 0 255.308 3.021 20 10 CGCDRO Cc1cc(F)cc(C[N@H+](C)CCOc2ccccc2)c1O ZINC001238061802 819920951 /nfs/dbraw/zinc/92/09/51/819920951.db2.gz IPJGPHFNEOVHJJ-UHFFFAOYSA-N 1 0 289.350 3.351 20 10 CGCDRO Cc1cc2c(cccc2-c2cncc(C[NH3+])c2)n1C ZINC001239809002 820625119 /nfs/dbraw/zinc/62/51/19/820625119.db2.gz LUIPGWNQCXXBMQ-UHFFFAOYSA-N 1 0 251.333 3.007 20 10 CGCDRO CN(C)c1ccc(C2=CC[NH2+]CC2)c(C(F)(F)F)c1 ZINC001240467357 821075560 /nfs/dbraw/zinc/07/55/60/821075560.db2.gz FDHNJFOXQDMPTF-UHFFFAOYSA-N 1 0 270.298 3.148 20 10 CGCDRO C[N@@H+]1CCC=C(c2ccc(N3CCCCC3)cc2)C1 ZINC001241570469 821956044 /nfs/dbraw/zinc/95/60/44/821956044.db2.gz JMQKUSJEOVNMGU-UHFFFAOYSA-N 1 0 256.393 3.396 20 10 CGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+][C@H]1CC[C@H](CO)CC1 ZINC001342406471 936466104 /nfs/dbraw/zinc/46/61/04/936466104.db2.gz LMQIAKPZHJPHBA-ZQDZILKHSA-N 1 0 289.419 3.390 20 10 CGCDRO COCC1(CC[NH2+]Cc2cc(Cl)c(C)cc2O)CC1 ZINC001347400505 936883012 /nfs/dbraw/zinc/88/30/12/936883012.db2.gz JROQCBPBNODTCI-UHFFFAOYSA-N 1 0 283.799 3.260 20 10 CGCDRO COc1ccc(C(C)(C)[NH2+]Cc2ccc(N)cc2)cc1F ZINC001352788100 937049751 /nfs/dbraw/zinc/04/97/51/937049751.db2.gz BZXKNKZRTBKRMN-UHFFFAOYSA-N 1 0 288.366 3.441 20 10 CGCDRO Cc1cc(O)c(CNCC[N@@H+](C)C2CCCC2)c(Cl)c1 ZINC001200314031 937063259 /nfs/dbraw/zinc/06/32/59/937063259.db2.gz LVOYCNCBQNPHNS-UHFFFAOYSA-N 1 0 296.842 3.318 20 10 CGCDRO COC(=O)CCC1([NH2+]Cc2ccc(N)cc2)CCCCC1 ZINC001345159817 926690630 /nfs/dbraw/zinc/69/06/30/926690630.db2.gz NDFZBTNOQUFUBP-UHFFFAOYSA-N 1 0 290.407 3.015 20 10 CGCDRO Cc1ccc2c(c1)C[C@@H]([NH2+]Cc1cccc(O)c1O)CC2 ZINC001172829839 928224908 /nfs/dbraw/zinc/22/49/08/928224908.db2.gz GFEXVRWMAYYNBE-INIZCTEOSA-N 1 0 283.371 3.053 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)CCOC)cc1F ZINC000152137389 928244541 /nfs/dbraw/zinc/24/45/41/928244541.db2.gz JCNKICAYFDOBQJ-CYBMUJFWSA-N 1 0 282.403 3.187 20 10 CGCDRO CCC[C@@H](C)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001461051844 928749896 /nfs/dbraw/zinc/74/98/96/928749896.db2.gz ACMDBHSQTRGFBO-SNVBAGLBSA-N 1 0 256.340 3.309 20 10 CGCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@](C)(CF)C2)c1O ZINC001140178327 931957112 /nfs/dbraw/zinc/95/71/12/931957112.db2.gz IGBLURLNDRSQBI-OAHLLOKOSA-N 1 0 251.345 3.191 20 10 CGCDRO CCOc1ccccc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000098172089 931996045 /nfs/dbraw/zinc/99/60/45/931996045.db2.gz ZGTBLLAIZVVZNT-UHFFFAOYSA-N 1 0 283.371 3.310 20 10 CGCDRO C[N@H+](CCc1ccccc1)Cc1cc(F)ccc1O ZINC000179912828 932016311 /nfs/dbraw/zinc/01/63/11/932016311.db2.gz BAWSYBOEILKGHQ-UHFFFAOYSA-N 1 0 259.324 3.206 20 10 CGCDRO C[C@H]([NH2+]Cc1nc2ccccc2[nH]1)c1ccc(N(C)C)cc1 ZINC000315132831 932030770 /nfs/dbraw/zinc/03/07/70/932030770.db2.gz YVOBFPWCQKYXSK-ZDUSSCGKSA-N 1 0 294.402 3.480 20 10 CGCDRO c1ccc(COCC[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC001461264321 937573589 /nfs/dbraw/zinc/57/35/89/937573589.db2.gz MZRCBIYPVUMYMF-UHFFFAOYSA-N 1 0 297.398 3.318 20 10 CGCDRO Oc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H]1C1CC1 ZINC001461896272 937604279 /nfs/dbraw/zinc/60/42/79/937604279.db2.gz DDWGUGUORZUNLW-CYBMUJFWSA-N 1 0 251.757 3.420 20 10 CGCDRO C[N@H+](CCC1CCOCC1)Cc1ccc(Cl)cc1O ZINC001461931878 937607684 /nfs/dbraw/zinc/60/76/84/937607684.db2.gz BINQOGIUEBXDKI-UHFFFAOYSA-N 1 0 283.799 3.294 20 10 CGCDRO CC1CC(C[NH2+]C/C=C/c2ccc(N(C)C)cc2)C1 ZINC001474220019 937844651 /nfs/dbraw/zinc/84/46/51/937844651.db2.gz UWSVGHWDEIZPNK-SNAWJCMRSA-N 1 0 258.409 3.402 20 10 CGCDRO CO[C@H]1CC[N@H+](Cc2ccc(Cl)cc2O)CC1(C)C ZINC001462254764 937627786 /nfs/dbraw/zinc/62/77/86/937627786.db2.gz JLJCKFVGXZBXOA-AWEZNQCLSA-N 1 0 283.799 3.293 20 10 CGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CC[C@H](CCCO)C2)c1 ZINC001462337652 937633956 /nfs/dbraw/zinc/63/39/56/937633956.db2.gz MVZNXAKZDCLYSU-AWEZNQCLSA-N 1 0 277.408 3.110 20 10 CGCDRO CCCN1CC[C@H]([NH2+]Cc2cc(C(C)C)ccc2O)C1 ZINC001462459161 937643267 /nfs/dbraw/zinc/64/32/67/937643267.db2.gz RVOYPWADDWUYOL-INIZCTEOSA-N 1 0 276.424 3.090 20 10 CGCDRO C[C@H](O)[C@@H]([NH2+]Cc1ccc(Cl)cc1O)c1ccccc1 ZINC001462479303 937644342 /nfs/dbraw/zinc/64/43/42/937644342.db2.gz NOSUIAHZXQPMOP-MEDUHNTESA-N 1 0 291.778 3.257 20 10 CGCDRO CCOc1ccc(N2CC[NH+](C[Si](C)(C)C)CC2)cc1 ZINC001307599326 932975008 /nfs/dbraw/zinc/97/50/08/932975008.db2.gz IQESYKAOKDPBHF-UHFFFAOYSA-N 1 0 292.499 3.085 20 10 CGCDRO CCc1cccc(C[NH2+]C(C)(C)[C@H]2CCCCO2)c1O ZINC001462516666 937646512 /nfs/dbraw/zinc/64/65/12/937646512.db2.gz DFTDLQPWWDVELP-OAHLLOKOSA-N 1 0 277.408 3.392 20 10 CGCDRO CO[C@H]1C[C@@H]([NH2+]Cc2c(O)cc(C)cc2Cl)C12CCC2 ZINC001308431681 933110646 /nfs/dbraw/zinc/11/06/46/933110646.db2.gz SNWFINBLOIQELG-CABCVRRESA-N 1 0 295.810 3.401 20 10 CGCDRO CCCC[C@@](C)(CO)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001308447722 933112323 /nfs/dbraw/zinc/11/23/23/933112323.db2.gz UPMHUFFPFKGHCF-KRWDZBQOSA-N 1 0 277.408 3.042 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)COCC2CC2)cc1 ZINC001308455524 933114038 /nfs/dbraw/zinc/11/40/38/933114038.db2.gz MCRGCRMSZBJRCJ-HNNXBMFYSA-N 1 0 290.451 3.438 20 10 CGCDRO CC(C)c1ccc(O)c(CN2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC001308596542 933139975 /nfs/dbraw/zinc/13/99/75/933139975.db2.gz USTXLWMVUYKNCV-QGZVFWFLSA-N 1 0 288.435 3.186 20 10 CGCDRO CC(C)c1ccc(O)c(C[N@H+](C)[C@@H](CO)C(C)(C)C)c1 ZINC001308622062 933144722 /nfs/dbraw/zinc/14/47/22/933144722.db2.gz YUNUCRLXXIDTFM-INIZCTEOSA-N 1 0 279.424 3.354 20 10 CGCDRO Cc1ccc([C@H](O)C[NH2+]Cc2ccc(Cl)cc2O)cc1 ZINC001308724895 933166127 /nfs/dbraw/zinc/16/61/27/933166127.db2.gz UMKBXICUWBJDGC-MRXNPFEDSA-N 1 0 291.778 3.177 20 10 CGCDRO CCNc1ccccc1C[NH2+]Cc1cccc(OC)c1O ZINC001308743192 933168013 /nfs/dbraw/zinc/16/80/13/933168013.db2.gz RJOPHERVWPMHCH-UHFFFAOYSA-N 1 0 286.375 3.122 20 10 CGCDRO CN(C)[C@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC001320072074 933993407 /nfs/dbraw/zinc/99/34/07/933993407.db2.gz QWBCIWJBKWCLON-KGLIPLIRSA-N 1 0 282.815 3.008 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CCN1CCC[C@@H]1C ZINC001320118366 934002968 /nfs/dbraw/zinc/00/29/68/934002968.db2.gz JKUMFBHSZCOUQI-ILXRZTDVSA-N 1 0 288.435 3.323 20 10 CGCDRO CC[N@H+](Cc1cnn(C)c1)Cc1ccc(N2CCCC2)cc1 ZINC001320494508 934055433 /nfs/dbraw/zinc/05/54/33/934055433.db2.gz RXFONTGLKFSQOP-UHFFFAOYSA-N 1 0 298.434 3.042 20 10 CGCDRO C=C/C=C/CC[NH+]1CCN(c2ccc(OCC)cc2)CC1 ZINC001473295164 937801070 /nfs/dbraw/zinc/80/10/70/937801070.db2.gz CPOLKEYQPQRMSZ-AATRIKPKSA-N 1 0 286.419 3.340 20 10 CGCDRO CC[C@H](C)[NH+]1CCN(Cc2ccc(N(C)CC)cc2)CC1 ZINC001473475798 937807938 /nfs/dbraw/zinc/80/79/38/937807938.db2.gz WAKFLHLTAYYAMQ-INIZCTEOSA-N 1 0 289.467 3.059 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@H]1CCCC[C@@H]1O ZINC001325905195 934938131 /nfs/dbraw/zinc/93/81/31/934938131.db2.gz WHJYISVUZQTADO-RQJABVFESA-N 1 0 275.392 3.142 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H]2C[C@@H]3[C@H](C2)C3(F)F)c(Cl)c1 ZINC001328080005 935115218 /nfs/dbraw/zinc/11/52/18/935115218.db2.gz RDTIQNZUGFCIEQ-GUDFOSOFSA-N 1 0 287.737 3.487 20 10 CGCDRO C[N@H+](CCCF)Cc1cc(C(C)(C)C)cc(O)c1O ZINC001331081992 935348824 /nfs/dbraw/zinc/34/88/24/935348824.db2.gz YKHVAWNKZTWQLR-UHFFFAOYSA-N 1 0 269.360 3.187 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C[C@@H](CO)CC1CC1 ZINC001333325869 935525746 /nfs/dbraw/zinc/52/57/46/935525746.db2.gz IDWZCSRTIQUXRS-VHDGCEQUSA-N 1 0 289.419 3.247 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@H+](C)Cc2ccns2)c1 ZINC001333322095 935525992 /nfs/dbraw/zinc/52/59/92/935525992.db2.gz AUEWSLDULXGXIZ-UHFFFAOYSA-N 1 0 262.378 3.098 20 10 CGCDRO C[C@H]1C[C@@H](c2cccnc2)[N@H+](Cc2ccc(N)cc2)C1 ZINC001334774151 936112678 /nfs/dbraw/zinc/11/26/78/936112678.db2.gz DVPHIOAREBBFQP-GUYCJALGSA-N 1 0 267.376 3.247 20 10 CGCDRO Nc1ccc(C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)cc1 ZINC001335284632 936137583 /nfs/dbraw/zinc/13/75/83/936137583.db2.gz FVRKWEWGLFNZDG-LSDHHAIUSA-N 1 0 262.422 3.129 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc3[nH]cnc3c2)c1 ZINC001474196208 937843794 /nfs/dbraw/zinc/84/37/94/937843794.db2.gz NRRWXRNNQUPVLL-LLVKDONJSA-N 1 0 297.358 3.128 20 10 CGCDRO C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1ccc(Cl)cc1O ZINC001474369536 937855543 /nfs/dbraw/zinc/85/55/43/937855543.db2.gz MNPIWEDAZZRZJP-ZJUUUORDSA-N 1 0 271.813 3.371 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]Cc1noc2cc(F)ccc12 ZINC001474681112 937874942 /nfs/dbraw/zinc/87/49/42/937874942.db2.gz WTCARFNPGBWLHL-UHFFFAOYSA-N 1 0 290.269 3.101 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2CCO[C@H](C3CC3)C2)cc1C ZINC001560432755 938258462 /nfs/dbraw/zinc/25/84/62/938258462.db2.gz MCAOPHPFVQYQDU-RDJZCZTQSA-N 1 0 275.392 3.051 20 10 CGCDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]Cc1cc(C(C)C)ccc1O ZINC001560740996 938273373 /nfs/dbraw/zinc/27/33/73/938273373.db2.gz IUBQCNDZPMDTGK-OLZOCXBDSA-N 1 0 293.407 3.193 20 10 CGCDRO CC[C@@H](C)[NH+]1CCN(Cc2ccc3ccccc3c2O)CC1 ZINC001560834308 938278350 /nfs/dbraw/zinc/27/83/50/938278350.db2.gz JXOQVJSIYXYZLP-OAHLLOKOSA-N 1 0 298.430 3.462 20 10 CGCDRO CC[C@@H](C)[N@H+](CCO)Cc1cc(C(C)C)ccc1O ZINC001560835660 938278743 /nfs/dbraw/zinc/27/87/43/938278743.db2.gz VNIGFFNGPVPUEA-CYBMUJFWSA-N 1 0 265.397 3.108 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+][C@@H]2CCN(C(C)(C)C)C2)c1 ZINC001560929148 938284439 /nfs/dbraw/zinc/28/44/39/938284439.db2.gz ODKPJYNKWNZREH-MRXNPFEDSA-N 1 0 290.451 3.478 20 10 CGCDRO Nc1ccc(C[NH2+]C[C@H](c2ccccc2)N2CCCC2)cc1 ZINC001580445750 962727820 /nfs/dbraw/zinc/72/78/20/962727820.db2.gz UBFOTPCAPPIWJK-LJQANCHMSA-N 1 0 295.430 3.196 20 10 CGCDRO Nc1ccc(C[NH2+][C@@H]2CCCN(c3ccccc3F)C2)cc1 ZINC001580445659 962728323 /nfs/dbraw/zinc/72/83/23/962728323.db2.gz NRSPKAXVLMFWST-MRXNPFEDSA-N 1 0 299.393 3.167 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccc(F)cn1 ZINC000092743104 345855694 /nfs/dbraw/zinc/85/56/94/345855694.db2.gz OXQOKSGLHXSPKE-ZDUSSCGKSA-N 1 0 299.393 3.454 20 10 CGCDRO COC1CCC([N@H+](C)Cc2cc(C)ccc2O)CC1 ZINC000093415126 345877453 /nfs/dbraw/zinc/87/74/53/345877453.db2.gz GJJWZGYIQHUPCJ-UHFFFAOYSA-N 1 0 263.381 3.090 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000179555007 346253256 /nfs/dbraw/zinc/25/32/56/346253256.db2.gz ZXXSGTOIESTTDH-UHFFFAOYSA-N 1 0 278.355 3.432 20 10 CGCDRO CO[C@H]1CCC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000076266304 369935262 /nfs/dbraw/zinc/93/52/62/369935262.db2.gz FUQIBRCSAOZQKK-AWEZNQCLSA-N 1 0 271.360 3.156 20 10 CGCDRO CC[C@H]([NH2+][C@@H](COC)C1CC1)c1ccc(N(C)C)cc1 ZINC000090717400 370065474 /nfs/dbraw/zinc/06/54/74/370065474.db2.gz BVFRQBOSIOBAQK-IRXDYDNUSA-N 1 0 276.424 3.218 20 10 CGCDRO Cc1ccccc1[C@@H](O)C[NH2+]Cc1c(O)cccc1Cl ZINC000113342137 370471611 /nfs/dbraw/zinc/47/16/11/370471611.db2.gz UCISMOVNXYWNHD-INIZCTEOSA-N 1 0 291.778 3.177 20 10 CGCDRO CC[C@H]([NH2+]C[C@H]1CC[N@H+](CC)C1)c1cccc(Cl)c1[O-] ZINC000287573838 371675023 /nfs/dbraw/zinc/67/50/23/371675023.db2.gz GZJHLCPCULHVAZ-DOMZBBRYSA-N 1 0 296.842 3.428 20 10 CGCDRO C[C@@H]([NH2+]CC1=CCCOC1)c1cc(Cl)ccc1O ZINC000287239841 371625661 /nfs/dbraw/zinc/62/56/61/371625661.db2.gz YSPLTKDDBRZMPM-SNVBAGLBSA-N 1 0 267.756 3.043 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCSC2)c(O)c1 ZINC000287240001 371625790 /nfs/dbraw/zinc/62/57/90/371625790.db2.gz YTZODAMAOVQJPJ-STQMWFEESA-N 1 0 265.422 3.494 20 10 CGCDRO CCc1nc(C)c(C[NH2+][C@H](CC)c2ccccc2O)o1 ZINC000291987183 372178694 /nfs/dbraw/zinc/17/86/94/372178694.db2.gz WFSXNDTYTJWYSI-CYBMUJFWSA-N 1 0 274.364 3.492 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C2CCN(C3CC3)CC2)c(O)c1 ZINC000293596341 372420311 /nfs/dbraw/zinc/42/03/11/372420311.db2.gz FUKVMAXBUYCALH-CQSZACIVSA-N 1 0 288.435 3.286 20 10 CGCDRO Cc1cccc(C[N@@H+]2CC3(CCOCC3)[C@@H]2C2CC2)c1O ZINC000293758739 372471838 /nfs/dbraw/zinc/47/18/38/372471838.db2.gz XLZMXSUEBCPDMJ-KRWDZBQOSA-N 1 0 287.403 3.092 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CCCO[C@@H](C(C)C)C2)c1 ZINC000294145004 372593046 /nfs/dbraw/zinc/59/30/46/372593046.db2.gz VBDIMEOCJMBXQD-QGZVFWFLSA-N 1 0 293.407 3.038 20 10 CGCDRO C[C@H]([NH2+]C1CCSCC1)c1cc(F)ccc1O ZINC000168832209 372621484 /nfs/dbraw/zinc/62/14/84/372621484.db2.gz DLTHAUKMISJXOW-VIFPVBQESA-N 1 0 255.358 3.078 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCC(C)(F)F)c1 ZINC000294263606 372633396 /nfs/dbraw/zinc/63/33/96/372633396.db2.gz RDLPVHWUPPLUIR-SECBINFHSA-N 1 0 259.296 3.097 20 10 CGCDRO C[C@@H](CC(C)(C)O)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000295018259 372685904 /nfs/dbraw/zinc/68/59/04/372685904.db2.gz KHCAOXWFUOFHNQ-HNNXBMFYSA-N 1 0 290.451 3.316 20 10 CGCDRO [O-]c1c(F)cccc1C[NH2+]C[C@H]1CCCCC1(F)F ZINC000295033516 372689093 /nfs/dbraw/zinc/68/90/93/372689093.db2.gz DJYGZVMTOKFICR-LLVKDONJSA-N 1 0 273.298 3.446 20 10 CGCDRO CCCOc1ccc(C[NH2+]C[C@H](CCC)OC)c(O)c1 ZINC000295132179 372693812 /nfs/dbraw/zinc/69/38/12/372693812.db2.gz OQJWPRDAMRXKRE-HNNXBMFYSA-N 1 0 281.396 3.086 20 10 CGCDRO C[C@@H](CC(C)(C)O)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000296653795 373209065 /nfs/dbraw/zinc/20/90/65/373209065.db2.gz ZCHMADLPBSYMOO-UWVGGRQHSA-N 1 0 271.788 3.246 20 10 CGCDRO COC[C@@H]([NH2+][C@H]1CCc2cccc(O)c21)c1ccc(C)o1 ZINC000297516802 373274841 /nfs/dbraw/zinc/27/48/41/373274841.db2.gz CWORKZVUKVTSSJ-UONOGXRCSA-N 1 0 287.359 3.258 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CC[C@H](C)CCO)c(O)c1C ZINC000297325132 373266108 /nfs/dbraw/zinc/26/61/08/373266108.db2.gz NPLKHTBVSIMQNF-FZMZJTMJSA-N 1 0 265.397 3.068 20 10 CGCDRO CC[N@H+](Cc1ccncc1)Cc1cc(C)c(C)cc1O ZINC000298581676 373359270 /nfs/dbraw/zinc/35/92/70/373359270.db2.gz DPPVLSWZROEWAM-UHFFFAOYSA-N 1 0 270.376 3.426 20 10 CGCDRO COc1ccc(O)c(C[N@H+]([C@H](C)C2CC2)C2CC2)c1 ZINC000179731159 373910721 /nfs/dbraw/zinc/91/07/21/373910721.db2.gz GMSFGQNJGGXFAL-LLVKDONJSA-N 1 0 261.365 3.164 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)c1 ZINC000180483348 374014200 /nfs/dbraw/zinc/01/42/00/374014200.db2.gz ZRTSSQOKSFZBOJ-GOEBONIOSA-N 1 0 293.432 3.261 20 10 CGCDRO CC[N@H+](C)C[C@@H]1CCN(Cc2cc(Cl)cc(C)c2O)C1 ZINC000180550811 374022128 /nfs/dbraw/zinc/02/21/28/374022128.db2.gz CPUHVEYQZHFCIK-ZDUSSCGKSA-N 1 0 296.842 3.128 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C2(C)Cc3ccccc3C2)c1 ZINC000182663418 374307628 /nfs/dbraw/zinc/30/76/28/374307628.db2.gz HVYOCPQKVVNJKR-UHFFFAOYSA-N 1 0 283.371 3.048 20 10 CGCDRO C[C@@H]([NH2+]C[C@H](CCO)c1ccccc1)c1ccccc1O ZINC000183525508 374424216 /nfs/dbraw/zinc/42/42/16/374424216.db2.gz UUUNCKBOHOFDPQ-ZBFHGGJFSA-N 1 0 285.387 3.209 20 10 CGCDRO CCO[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2O)C12CCC2 ZINC000183530841 374425092 /nfs/dbraw/zinc/42/50/92/374425092.db2.gz AZCSLHLJEZOWMU-RCBQFDQVSA-N 1 0 275.392 3.391 20 10 CGCDRO CCOc1cccc(C[NH2+]CC2(OC)CCCCC2)c1O ZINC000187453709 375024107 /nfs/dbraw/zinc/02/41/07/375024107.db2.gz XQLJJBRPAIXXAS-UHFFFAOYSA-N 1 0 293.407 3.230 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+][C@@H](CCO)c2ccco2)c1O ZINC000187528728 375036103 /nfs/dbraw/zinc/03/61/03/375036103.db2.gz GJOGCJGCEMWJRR-ZDUSSCGKSA-N 1 0 295.766 3.160 20 10 CGCDRO CC[N@@H+]1CC[C@H]([NH2+]Cc2c(C)c3ccccc3n2C)[C@@H](C)C1 ZINC000475200320 375131971 /nfs/dbraw/zinc/13/19/71/375131971.db2.gz ZXUNAAGWJWRSBP-YOEHRIQHSA-N 1 0 299.462 3.307 20 10 CGCDRO CC[C@@H](CO)[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000188673208 375251895 /nfs/dbraw/zinc/25/18/95/375251895.db2.gz MDUCYJHNMIGOCW-HOCLYGCPSA-N 1 0 276.424 3.098 20 10 CGCDRO CCOC1CC(CC[NH2+][C@H](C)c2cc(F)ccc2O)C1 ZINC000189253728 375350823 /nfs/dbraw/zinc/35/08/23/375350823.db2.gz QUNGFAOQXVOVLK-LKSINWNRSA-N 1 0 281.371 3.387 20 10 CGCDRO CCSc1cc(C[NH2+]Cc2cccc(C)c2O)ccn1 ZINC000190194479 375484890 /nfs/dbraw/zinc/48/48/90/375484890.db2.gz ROHSTCNLHNJYKG-UHFFFAOYSA-N 1 0 288.416 3.497 20 10 CGCDRO CC[C@@]1(CO)CCC[N@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000190219065 375485762 /nfs/dbraw/zinc/48/57/62/375485762.db2.gz MKUDAJBVFQFIPB-MRXNPFEDSA-N 1 0 297.826 3.339 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2ccnn2C)cc1 ZINC000192696779 375780467 /nfs/dbraw/zinc/78/04/67/375780467.db2.gz BRDSQNWDRHLHJH-AWEZNQCLSA-N 1 0 286.423 3.117 20 10 CGCDRO COc1cccc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)c1O ZINC000228172823 376431281 /nfs/dbraw/zinc/43/12/81/376431281.db2.gz SJUXMKDJEHMAGN-GXTWGEPZSA-N 1 0 261.365 3.165 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2ccccc2N(C)C)c1 ZINC000267850271 378046131 /nfs/dbraw/zinc/04/61/31/378046131.db2.gz BLANMZLVZIIOPQ-UHFFFAOYSA-N 1 0 270.376 3.056 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CC2([C@@H](C)CCO)CCC2)cc1C ZINC000271832662 378510381 /nfs/dbraw/zinc/51/03/81/378510381.db2.gz OZUKAGBZKBKGMG-HNNXBMFYSA-N 1 0 291.435 3.287 20 10 CGCDRO C[C@@H]1C[C@@H](CC[NH2+]Cc2ccc(N(C)C)cc2)CCO1 ZINC000273086458 378735630 /nfs/dbraw/zinc/73/56/30/378735630.db2.gz RQWVYQRUVNUGRQ-CABCVRRESA-N 1 0 276.424 3.047 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2nccs2)c(O)c1C ZINC000273399582 378743346 /nfs/dbraw/zinc/74/33/46/378743346.db2.gz MUIBWWUPFWYNRH-LLVKDONJSA-N 1 0 262.378 3.316 20 10 CGCDRO C[C@@H](c1cccnc1)[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000273379573 378744395 /nfs/dbraw/zinc/74/43/95/378744395.db2.gz HKJSGVVQOKNOAE-ZDUSSCGKSA-N 1 0 287.382 3.480 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)[C@@H]1CCOC1 ZINC000273622756 378758274 /nfs/dbraw/zinc/75/82/74/378758274.db2.gz ZOHQEGAJNRFTMR-OUAUKWLOSA-N 1 0 269.772 3.121 20 10 CGCDRO C[C@@H]([NH2+]CC[C@H]1CCO[C@H](C)C1)c1cc(F)ccc1O ZINC000273445483 378746448 /nfs/dbraw/zinc/74/64/48/378746448.db2.gz NSWIOJQARMSHBA-UPJWGTAASA-N 1 0 281.371 3.387 20 10 CGCDRO C[C@H](Cn1cccn1)[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000273475306 378748008 /nfs/dbraw/zinc/74/80/08/378748008.db2.gz KNLYUWSPIAUPSZ-KGLIPLIRSA-N 1 0 295.386 3.481 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCc3cn[nH]c32)c(O)c1 ZINC000273494444 378750654 /nfs/dbraw/zinc/75/06/54/378750654.db2.gz OVMGHKSGLCFHCS-BXUZGUMPSA-N 1 0 271.364 3.152 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+][C@H]1CCO[C@H](C2CC2)C1 ZINC000274035267 378767351 /nfs/dbraw/zinc/76/73/51/378767351.db2.gz BWYHDICNUNRJPR-NHYWBVRUSA-N 1 0 281.783 3.093 20 10 CGCDRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(C)c1O)CCO2 ZINC000274393728 378824559 /nfs/dbraw/zinc/82/45/59/378824559.db2.gz IYNMNMVVTXPGRF-INIZCTEOSA-N 1 0 299.370 3.323 20 10 CGCDRO CO[C@@H](C[N@H+](C)Cc1ccccc1O)c1ccccc1 ZINC000284364613 380138470 /nfs/dbraw/zinc/13/84/70/380138470.db2.gz KVLHDDCCMJUSMD-KRWDZBQOSA-N 1 0 271.360 3.212 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CC2([C@@H](O)C(C)C)CC2)c(O)c1 ZINC000285123479 380146264 /nfs/dbraw/zinc/14/62/64/380146264.db2.gz LCWSIODXBHVOPD-PBHICJAKSA-N 1 0 291.435 3.457 20 10 CGCDRO COc1ccc(C[NH2+]CCCc2cccc(C)n2)cc1C ZINC000285672958 380153073 /nfs/dbraw/zinc/15/30/73/380153073.db2.gz UKGQKSKHTGCRIJ-UHFFFAOYSA-N 1 0 284.403 3.429 20 10 CGCDRO CN(C)c1ccc(C[NH+]2CCC([C@H]3CCOC3)CC2)cc1 ZINC000363843137 382258784 /nfs/dbraw/zinc/25/87/84/382258784.db2.gz FEYRMGHWQKAZCI-KRWDZBQOSA-N 1 0 288.435 3.001 20 10 CGCDRO CCN(CC)c1ccc(C[NH+]2CC([C@@H]3CCOC3)C2)cc1 ZINC000366248018 382304073 /nfs/dbraw/zinc/30/40/73/382304073.db2.gz GUSOASOYXYZXTJ-MRXNPFEDSA-N 1 0 288.435 3.001 20 10 CGCDRO C[NH+]1CCC2(CCC[N@@H+]2Cc2cccc(Cl)c2[O-])CC1 ZINC000368948962 382383809 /nfs/dbraw/zinc/38/38/09/382383809.db2.gz GBKXVIZDICFTEV-UHFFFAOYSA-N 1 0 294.826 3.106 20 10 CGCDRO COc1ccc(C[NH2+]CCCCOC(C)C)cc1C ZINC000228565769 262343043 /nfs/dbraw/zinc/34/30/43/262343043.db2.gz PKHSZQXNJOHKNF-UHFFFAOYSA-N 1 0 265.397 3.298 20 10 CGCDRO CCOc1ccc(O)c(C[N@H+](C)[C@@H](C)CCSC)c1 ZINC000093558921 392239662 /nfs/dbraw/zinc/23/96/62/392239662.db2.gz GSYKARYYDCDFFZ-LBPRGKRZSA-N 1 0 283.437 3.364 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](O)c1cccc(F)c1)c1ccccc1O ZINC000121090996 392408306 /nfs/dbraw/zinc/40/83/06/392408306.db2.gz HOCYKLIIYUJRGP-DOTOQJQBSA-N 1 0 289.350 3.306 20 10 CGCDRO CSC1(C[NH2+][C@H](C)c2cc(C)ccc2O)CC1 ZINC000193834321 392886296 /nfs/dbraw/zinc/88/62/96/392886296.db2.gz KNONXJBDGOKVRS-LLVKDONJSA-N 1 0 251.395 3.247 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]C[C@@H](C)c2nccs2)c1 ZINC000230694148 393025014 /nfs/dbraw/zinc/02/50/14/393025014.db2.gz LSQPNNJRVKQRPP-LLVKDONJSA-N 1 0 262.378 3.050 20 10 CGCDRO COc1cccc(C[NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)c1O ZINC000019963255 170944765 /nfs/dbraw/zinc/94/47/65/170944765.db2.gz NWIMHWLCENVZKM-SGMGOOAPSA-N 1 0 263.381 3.315 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCCOC(C)C)c(O)c1 ZINC000020198360 171062368 /nfs/dbraw/zinc/06/23/68/171062368.db2.gz MEBSNDXZGGOQNQ-CYBMUJFWSA-N 1 0 251.370 3.166 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](c2ccco2)N(C)C)c1 ZINC000035628767 172308058 /nfs/dbraw/zinc/30/80/58/172308058.db2.gz ADXDNUCVGBFOOO-UKRRQHHQSA-N 1 0 288.391 3.247 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(F)c(F)c2)c1 ZINC000071408530 176156908 /nfs/dbraw/zinc/15/69/08/176156908.db2.gz YGEHYBOCEJBYOW-UHFFFAOYSA-N 1 0 263.287 3.269 20 10 CGCDRO C[C@@H]([NH2+]CCCCCO)c1ccc2ccccc2c1O ZINC000192926276 227387364 /nfs/dbraw/zinc/38/73/64/227387364.db2.gz MGBOGKSFYBCLAA-CYBMUJFWSA-N 1 0 273.376 3.359 20 10 CGCDRO CC[C@H]([NH2+]CCc1ccccc1O)c1ccccc1O ZINC000155558196 261103568 /nfs/dbraw/zinc/10/35/68/261103568.db2.gz ZUMFYOZBPGMOMS-HNNXBMFYSA-N 1 0 271.360 3.381 20 10 CGCDRO Oc1ccccc1C[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000108880471 261388976 /nfs/dbraw/zinc/38/89/76/261388976.db2.gz PFOCVYUSWRFLOD-ZDUSSCGKSA-N 1 0 269.344 3.048 20 10 CGCDRO CC[C@@H](CCO)C[NH2+][C@H](C)c1ccc(N(C)CC)cc1 ZINC000166764543 261393364 /nfs/dbraw/zinc/39/33/64/261393364.db2.gz XENCHDYQXRNSTK-CABCVRRESA-N 1 0 278.440 3.202 20 10 CGCDRO CC[C@H]([NH2+]Cc1cnc2n1CCCC2)c1ccccc1O ZINC000367436287 262011359 /nfs/dbraw/zinc/01/13/59/262011359.db2.gz FHACWCBQEIGQAZ-HNNXBMFYSA-N 1 0 285.391 3.166 20 10 CGCDRO C[C@@H]([NH2+]CCc1cccnc1)c1cc(Cl)ccc1O ZINC000184980331 262035530 /nfs/dbraw/zinc/03/55/30/262035530.db2.gz ZKXZVPORUGOWSD-LLVKDONJSA-N 1 0 276.767 3.334 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccccc2F)c(O)c1 ZINC000185095923 262041014 /nfs/dbraw/zinc/04/10/14/262041014.db2.gz KIOGOPPMMAAJBO-PXAZEXFGSA-N 1 0 289.350 3.224 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccccc2F)c(O)c1 ZINC000185095978 262041406 /nfs/dbraw/zinc/04/14/06/262041406.db2.gz KIOGOPPMMAAJBO-YVEFUNNKSA-N 1 0 289.350 3.224 20 10 CGCDRO C[C@@H](O)c1ccc(C[NH2+][C@H](C)c2cc(F)ccc2O)cc1 ZINC000185120681 262043128 /nfs/dbraw/zinc/04/31/28/262043128.db2.gz GQWYGXFURPXVRM-VXGBXAGGSA-N 1 0 289.350 3.435 20 10 CGCDRO C[C@H]([NH2+]C[C@@](C)(O)c1ccccc1)c1cc(F)ccc1O ZINC000185454756 262055376 /nfs/dbraw/zinc/05/53/76/262055376.db2.gz DVODQCBLLFRVMT-YVEFUNNKSA-N 1 0 289.350 3.090 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCCNc2ccccn2)c(O)c1 ZINC000185659824 262065025 /nfs/dbraw/zinc/06/50/25/262065025.db2.gz MZPMETGAMYFMHI-AWEZNQCLSA-N 1 0 285.391 3.248 20 10 CGCDRO C[C@@H]([NH2+]CCCCCCO)c1cc2c(cc1O)CCCC2 ZINC000186231427 262085091 /nfs/dbraw/zinc/08/50/91/262085091.db2.gz ASMRWRAGDJRNNV-CQSZACIVSA-N 1 0 291.435 3.474 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](CCO)c2ccco2)c1 ZINC000186541677 262098023 /nfs/dbraw/zinc/09/80/23/262098023.db2.gz UEQASJHKGUTNDJ-TZMCWYRMSA-N 1 0 275.348 3.068 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](CCO)C(C)(C)C)c1 ZINC000185197910 262302063 /nfs/dbraw/zinc/30/20/63/262302063.db2.gz PTFSWRLHFDFZIC-SWLSCSKDSA-N 1 0 265.397 3.148 20 10 CGCDRO CC(C)OCCCC[NH2+][C@H](C)c1cc(F)ccc1O ZINC000186530278 262315813 /nfs/dbraw/zinc/31/58/13/262315813.db2.gz WQGDFJGNMIBOTR-GFCCVEGCSA-N 1 0 269.360 3.387 20 10 CGCDRO CO[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000276885651 263038432 /nfs/dbraw/zinc/03/84/32/263038432.db2.gz GTWJZLVGSCLQHY-TVYUQYBPSA-N 1 0 285.334 3.279 20 10 CGCDRO COc1cc(F)cc(C[NH2+][C@@H]2CCc3cccc(O)c32)c1 ZINC000296954280 263198681 /nfs/dbraw/zinc/19/86/81/263198681.db2.gz QWQCLSLKUKUXIH-OAHLLOKOSA-N 1 0 287.334 3.317 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](c3ccncn3)C2)cc1C ZINC000367475263 267092590 /nfs/dbraw/zinc/09/25/90/267092590.db2.gz VMCZROZJRJXQCE-HNNXBMFYSA-N 1 0 297.402 3.179 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCc2ccccc2OC1)c1ccccc1O ZINC000376758412 268014330 /nfs/dbraw/zinc/01/43/30/268014330.db2.gz OTVYYACWNOELLN-UKRRQHHQSA-N 1 0 283.371 3.437 20 10 CGCDRO COc1ccc(O)c(C[NH+]2CCC(c3ccncc3)CC2)c1 ZINC000289654545 274114835 /nfs/dbraw/zinc/11/48/35/274114835.db2.gz CJJAVKTWSUMITI-UHFFFAOYSA-N 1 0 298.386 3.175 20 10 CGCDRO C[C@H]([NH2+]CC1(O)CCCCC1)c1ccc(N(C)C)cc1 ZINC000087016986 274511531 /nfs/dbraw/zinc/51/15/31/274511531.db2.gz HSMBJQKZQQPZIC-AWEZNQCLSA-N 1 0 276.424 3.098 20 10 CGCDRO CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)CCO1 ZINC000296711248 275688529 /nfs/dbraw/zinc/68/85/29/275688529.db2.gz IFSVSSGXIRZAAL-FMKPAKJESA-N 1 0 275.392 3.173 20 10 CGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H]1CCC=CO1 ZINC000193824106 276002722 /nfs/dbraw/zinc/00/27/22/276002722.db2.gz BVIDHRJVWLKKNJ-HNNXBMFYSA-N 1 0 261.365 3.297 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CCc2cccc(O)c21)c1c(F)cncc1F ZINC000297348417 278387406 /nfs/dbraw/zinc/38/74/06/278387406.db2.gz PAISRGGRKTTYBY-RNCFNFMXSA-N 1 0 290.313 3.404 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCOC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000278483915 288091032 /nfs/dbraw/zinc/09/10/32/288091032.db2.gz KOZXKSQZSGLBMZ-JQFCIGGWSA-N 1 0 276.424 3.218 20 10 CGCDRO C[C@H]([NH2+]C[C@]1(CO)C[C@H]1c1ccccc1)c1ccccc1O ZINC000289578685 279489596 /nfs/dbraw/zinc/48/95/96/279489596.db2.gz BLBOQYNWLLIGHM-FNHZYXHNSA-N 1 0 297.398 3.209 20 10 CGCDRO C[C@]1(C[NH2+][C@H]2CCc3cccc(O)c32)CCCS1 ZINC000297583814 280160183 /nfs/dbraw/zinc/16/01/83/280160183.db2.gz HHDMGNBOLUXTNV-SWLSCSKDSA-N 1 0 263.406 3.255 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCc2ccccc2O)c(O)c1 ZINC000185303182 327838037 /nfs/dbraw/zinc/83/80/37/327838037.db2.gz GVZHOOZFTXOOHP-ZDUSSCGKSA-N 1 0 271.360 3.300 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCCOC1)c1cc2c(cc1O)CCCC2 ZINC000185386997 327839526 /nfs/dbraw/zinc/83/95/26/327839526.db2.gz FZKZUDKRKDCRMK-WFASDCNBSA-N 1 0 275.392 3.101 20 10 CGCDRO CCCn1ccnc1CCC[N@H+](C)Cc1ccccc1O ZINC000290589104 328259628 /nfs/dbraw/zinc/25/96/28/328259628.db2.gz VDQJYHDPCKBXAZ-UHFFFAOYSA-N 1 0 287.407 3.063 20 10 CGCDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1cc(Cl)ccc1O ZINC000377703263 329026111 /nfs/dbraw/zinc/02/61/11/329026111.db2.gz WJCUBNJBVBFIKP-IUODEOHRSA-N 1 0 294.826 3.104 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CSCCS2)c1 ZINC000168817651 329059630 /nfs/dbraw/zinc/05/96/30/329059630.db2.gz ZPFWKYXLEXFHRO-VXGBXAGGSA-N 1 0 283.462 3.200 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c(O)c1 ZINC000248736650 329898227 /nfs/dbraw/zinc/89/82/27/329898227.db2.gz PWAIVPGLGOSMQN-JFOHDYCDSA-N 1 0 287.403 3.309 20 10 CGCDRO COc1ccc(C[NH2+]C[C@H]2CCN2C2CCCC2)cc1C ZINC000527808914 330284668 /nfs/dbraw/zinc/28/46/68/330284668.db2.gz QZVLYKCBBNCLEQ-QGZVFWFLSA-N 1 0 288.435 3.110 20 10 CGCDRO CC(C)O[C@@]1(C)C[C@H]1[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000528004915 330300542 /nfs/dbraw/zinc/30/05/42/330300542.db2.gz HADLIOOSHYXWRM-VQISRLSMSA-N 1 0 267.344 3.138 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1CCN1C1CCCC1)c1ccccc1O ZINC000528012157 330303998 /nfs/dbraw/zinc/30/39/98/330303998.db2.gz OJLTWYIYAMYHBO-UKRRQHHQSA-N 1 0 274.408 3.060 20 10 CGCDRO C[C@H]([NH2+]CC1(N(C)C)CCCC1)c1cc(F)ccc1O ZINC000160713867 330873928 /nfs/dbraw/zinc/87/39/28/330873928.db2.gz MAUBOMZRZONREK-LBPRGKRZSA-N 1 0 280.387 3.056 20 10 CGCDRO CC1CC([NH2+]Cc2cc(Br)ccc2O)C1 ZINC000165128271 331305929 /nfs/dbraw/zinc/30/59/29/331305929.db2.gz DKWNBADXKGKGCK-UHFFFAOYSA-N 1 0 270.170 3.043 20 10 CGCDRO C[C@@H](Cc1ccccc1F)[NH2+]Cc1ccccc1O ZINC000166351627 331306947 /nfs/dbraw/zinc/30/69/47/331306947.db2.gz FCWNCVOWRMZVAT-LBPRGKRZSA-N 1 0 259.324 3.252 20 10 CGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000475195117 331617522 /nfs/dbraw/zinc/61/75/22/331617522.db2.gz HEYUBPRYOLQLPL-ZTFGCOKTSA-N 1 0 298.430 3.390 20 10 CGCDRO Oc1ccc2ccccc2c1C[N@@H+]1CCO[C@H]2CCC[C@H]21 ZINC000228966816 333299484 /nfs/dbraw/zinc/29/94/84/333299484.db2.gz LTTVFKLYGCMALR-AEFFLSMTSA-N 1 0 283.371 3.299 20 10 CGCDRO CC[C@H]([NH2+]CC1(C)CCOCC1)c1ccccc1O ZINC000229563601 333306267 /nfs/dbraw/zinc/30/62/67/333306267.db2.gz FLEBBPXGPJZGDL-AWEZNQCLSA-N 1 0 263.381 3.250 20 10 CGCDRO C[C@H](CCO)CC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000295131235 334902131 /nfs/dbraw/zinc/90/21/31/334902131.db2.gz ONZNCVTVVBUEOA-INIZCTEOSA-N 1 0 290.451 3.175 20 10 CGCDRO C=Cn1cc(C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)cn1 ZINC000278284135 519322053 /nfs/dbraw/zinc/32/20/53/519322053.db2.gz UBBCJVRHIJEXOW-UHFFFAOYSA-N 1 0 298.434 3.460 20 10 CGCDRO CCCC[N@H+](Cc1c(C)cnn1C)Cc1ccccc1O ZINC000289689374 520540610 /nfs/dbraw/zinc/54/06/10/520540610.db2.gz NBBSTXWTLXMCCH-UHFFFAOYSA-N 1 0 287.407 3.236 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]CC(CC)(CC)OC)c1 ZINC000291640149 521151516 /nfs/dbraw/zinc/15/15/16/521151516.db2.gz BNHXLRRDTDFQGS-UHFFFAOYSA-N 1 0 281.396 3.086 20 10 CGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H](O)C(C)(C)C ZINC000290259889 521689788 /nfs/dbraw/zinc/68/97/88/521689788.db2.gz KPEWJNMLTJDRFM-OAHLLOKOSA-N 1 0 265.397 3.011 20 10 CGCDRO CCCN(Cc1scnc1C)c1ccc(C[NH3+])cc1 ZINC000278121674 521696923 /nfs/dbraw/zinc/69/69/23/521696923.db2.gz BAZMRHRIMCISFB-UHFFFAOYSA-N 1 0 275.421 3.327 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)cc1F ZINC000292739803 522180258 /nfs/dbraw/zinc/18/02/58/522180258.db2.gz HGUAKTTUQJRVTJ-CABCVRRESA-N 1 0 298.352 3.369 20 10 CGCDRO CC[C@@H](C)[C@@H](O)C[NH2+][C@@H](CC)c1ccc(C)cc1O ZINC000280101660 522326420 /nfs/dbraw/zinc/32/64/20/522326420.db2.gz NETAJAUPFJMQQJ-INWMFGNUSA-N 1 0 265.397 3.148 20 10 CGCDRO CC[C@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1ccc(C)cc1O ZINC000279945252 522632026 /nfs/dbraw/zinc/63/20/26/522632026.db2.gz BKKUKZQPHVMVCW-KBMXLJTQSA-N 1 0 277.408 3.292 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)Cn1cccn1)c1ccc(C)cc1O ZINC000279921032 522690918 /nfs/dbraw/zinc/69/09/18/522690918.db2.gz ADPWPIWSTQIWFE-ZFWWWQNUSA-N 1 0 273.380 3.027 20 10 CGCDRO CC[C@H]([NH2+][C@H](CCO)C(C)C)c1ccc(C)cc1O ZINC000280067625 522744148 /nfs/dbraw/zinc/74/41/48/522744148.db2.gz KTMYCRUWSSZBOB-LSDHHAIUSA-N 1 0 265.397 3.148 20 10 CGCDRO CC[C@H]([NH2+][C@H](CO)Cc1ccccc1)c1ccccc1O ZINC000063218193 522748060 /nfs/dbraw/zinc/74/80/60/522748060.db2.gz USERLRLQKMLPBQ-RDJZCZTQSA-N 1 0 285.387 3.037 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](CCO)c1ccco1)c1ccc(C)cc1O ZINC000280013036 522918716 /nfs/dbraw/zinc/91/87/16/522918716.db2.gz GVPFCRFORVRTJS-CABCVRRESA-N 1 0 289.375 3.458 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1CCc2nc(C)ncc2C1)c1ccccc1O ZINC000364773255 522931086 /nfs/dbraw/zinc/93/10/86/522931086.db2.gz DKYKVPXXGIBRMZ-GDBMZVCRSA-N 1 0 297.402 3.089 20 10 CGCDRO CC[C@@](C)(O)C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000264775922 523671666 /nfs/dbraw/zinc/67/16/66/523671666.db2.gz SKSQQCWQMJSYDB-GOSISDBHSA-N 1 0 285.387 3.310 20 10 CGCDRO C[C@H](CCCO)[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000269001975 524149893 /nfs/dbraw/zinc/14/98/93/524149893.db2.gz JUAIPMYIOGRDIF-CVEARBPZSA-N 1 0 290.451 3.489 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCc2ccc(O)cc2)cc1C ZINC000266229271 525322769 /nfs/dbraw/zinc/32/27/69/525322769.db2.gz TZTFVJHTVGDRFZ-UHFFFAOYSA-N 1 0 271.360 3.047 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CC2(O)CCCCC2)c1 ZINC000087017118 525362840 /nfs/dbraw/zinc/36/28/40/525362840.db2.gz XDFDRMDYCVOVKK-ZDUSSCGKSA-N 1 0 263.381 3.046 20 10 CGCDRO C[C@H]([NH2+]CCc1cccc(F)c1)c1ccccc1O ZINC000036778739 525368022 /nfs/dbraw/zinc/36/80/22/525368022.db2.gz ZFJVQLVZKPRLAV-LBPRGKRZSA-N 1 0 259.324 3.425 20 10 CGCDRO C[C@@H]([NH2+]CC1(C)COC1)c1ccc2ccccc2c1O ZINC000094721582 525418722 /nfs/dbraw/zinc/41/87/22/525418722.db2.gz MOVWKUVVMLYLMS-GFCCVEGCSA-N 1 0 271.360 3.233 20 10 CGCDRO C[C@@H]([NH2+]CCCO)c1ccc(N2CCCCCC2)cc1 ZINC000268742868 525437719 /nfs/dbraw/zinc/43/77/19/525437719.db2.gz ZDNNVRHWXQDTNC-OAHLLOKOSA-N 1 0 276.424 3.100 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1cccnc1 ZINC000050286106 525449901 /nfs/dbraw/zinc/44/99/01/525449901.db2.gz COYQOGKKUWEGJK-AWEZNQCLSA-N 1 0 281.403 3.315 20 10 CGCDRO C[C@@H]([NH2+]CCc1ccc(O)cc1)c1ccc(N(C)C)cc1 ZINC000040736165 525463816 /nfs/dbraw/zinc/46/38/16/525463816.db2.gz LKMKBZKFRCJSRT-CQSZACIVSA-N 1 0 284.403 3.352 20 10 CGCDRO COc1ccc2c(c1)OC[C@H]([NH2+][C@H](C)c1ccccc1O)C2 ZINC000272795553 525567239 /nfs/dbraw/zinc/56/72/39/525567239.db2.gz AJUXUZWHNBEQNN-TZMCWYRMSA-N 1 0 299.370 3.055 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCSC2)c(O)c1 ZINC000228551748 525921684 /nfs/dbraw/zinc/92/16/84/525921684.db2.gz VJTDLVJHTWSFPX-RYUDHWBXSA-N 1 0 251.395 3.104 20 10 CGCDRO Oc1ccc2ccccc2c1C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000057100683 526357077 /nfs/dbraw/zinc/35/70/77/526357077.db2.gz LTTVFKLYGCMALR-FUHWJXTLSA-N 1 0 283.371 3.299 20 10 CGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H]1C1CC1)CCC2 ZINC000728562090 571811689 /nfs/dbraw/zinc/81/16/89/571811689.db2.gz FDTJPRCRMUFUAK-INIZCTEOSA-N 1 0 257.377 3.255 20 10 CGCDRO CCC[N@H+](Cc1c(O)ccc2ccncc21)C1CC1 ZINC000728902762 571846746 /nfs/dbraw/zinc/84/67/46/571846746.db2.gz ONVYNBOHZVCLFO-UHFFFAOYSA-N 1 0 256.349 3.315 20 10 CGCDRO C[C@@H](Cc1cccc(O)c1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000731450669 572413246 /nfs/dbraw/zinc/41/32/46/572413246.db2.gz RPVGCJRXDWPUAG-ZDUSSCGKSA-N 1 0 283.371 3.048 20 10 CGCDRO COc1ccc(C[NH2+]Cc2ccc([C@@H]3C[C@@H]3C)o2)c(O)c1 ZINC000725846405 572439195 /nfs/dbraw/zinc/43/91/95/572439195.db2.gz DCYBHOQWVLHFTQ-XHDPSFHLSA-N 1 0 287.359 3.407 20 10 CGCDRO CN1CCC[C@H]1C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000725848446 572440912 /nfs/dbraw/zinc/44/09/12/572440912.db2.gz UYQOEKQOCOXZFZ-SFHVURJKSA-N 1 0 296.414 3.243 20 10 CGCDRO COc1cccc(C[NH2+]Cc2cc3ccccc3[nH]2)c1O ZINC000725850047 572443642 /nfs/dbraw/zinc/44/36/42/572443642.db2.gz GVNKDYIKHVOHNN-UHFFFAOYSA-N 1 0 282.343 3.172 20 10 CGCDRO Oc1ccccc1C[N@H+](Cc1ccno1)C1CCCC1 ZINC000732204775 572451774 /nfs/dbraw/zinc/45/17/74/572451774.db2.gz RMTTYZDGVABYIU-UHFFFAOYSA-N 1 0 272.348 3.325 20 10 CGCDRO c1ccc2c(c1)CC[C@@H]2C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000732229954 572454227 /nfs/dbraw/zinc/45/42/27/572454227.db2.gz QVBIOAQEGNEHGZ-QGZVFWFLSA-N 1 0 279.383 3.441 20 10 CGCDRO C[C@@H](C[NH2+]Cc1c(O)cccc1Cl)N1CCC[C@H](C)C1 ZINC000733324692 572555190 /nfs/dbraw/zinc/55/51/90/572555190.db2.gz TXKNGQZSLLVJPS-STQMWFEESA-N 1 0 296.842 3.256 20 10 CGCDRO COc1ccc(N2CCC([NH2+][C@@H]3CC[C@H](C)C3)CC2)cc1 ZINC000742369707 572568835 /nfs/dbraw/zinc/56/88/35/572568835.db2.gz OUSOJIVQEQXBRV-GOEBONIOSA-N 1 0 288.435 3.442 20 10 CGCDRO COc1cccc(C[NH2+]Cc2cccc(Cl)c2F)c1O ZINC000742388016 572574829 /nfs/dbraw/zinc/57/48/29/572574829.db2.gz NOUPPKIJUVEDTJ-UHFFFAOYSA-N 1 0 295.741 3.483 20 10 CGCDRO COC1CCC([N@H+](C)Cc2cc3c(cc2O)CCC3)CC1 ZINC000734475380 572660153 /nfs/dbraw/zinc/66/01/53/572660153.db2.gz QXHFWICXAYIHFT-UHFFFAOYSA-N 1 0 289.419 3.270 20 10 CGCDRO COc1c(C)cnc(C[NH2+]Cc2ccc(N(C)C)cc2)c1C ZINC000747852816 572951639 /nfs/dbraw/zinc/95/16/39/572951639.db2.gz IIVDIUHDJRMIEK-UHFFFAOYSA-N 1 0 299.418 3.063 20 10 CGCDRO C[C@@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccncc1 ZINC000749298814 572991714 /nfs/dbraw/zinc/99/17/14/572991714.db2.gz XOOBOIISHSWBQS-ZDUSSCGKSA-N 1 0 287.382 3.180 20 10 CGCDRO C[C@H]1C[NH+](Cc2c(O)cccc2Cl)C[C@H](C)S1 ZINC000120516732 617717394 /nfs/dbraw/zinc/71/73/94/617717394.db2.gz JDCUCFGUHVKCPY-UWVGGRQHSA-N 1 0 271.813 3.371 20 10 CGCDRO Oc1ccc(C[NH2+]Cc2cc(Cl)ccc2O)cc1F ZINC000120515816 617717461 /nfs/dbraw/zinc/71/74/61/617717461.db2.gz FEVZBRCJWLBGNC-UHFFFAOYSA-N 1 0 281.714 3.180 20 10 CGCDRO CC[C@H]1CCC[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000068592315 617907143 /nfs/dbraw/zinc/90/71/43/617907143.db2.gz PAMMTSNZZUOXNB-WCQYABFASA-N 1 0 277.364 3.179 20 10 CGCDRO COC1CCC(C[N@H+](C)Cc2ccc(N(C)C)cc2)CC1 ZINC000891396930 618186106 /nfs/dbraw/zinc/18/61/06/618186106.db2.gz HRVQJLIIJHVDOY-UHFFFAOYSA-N 1 0 290.451 3.390 20 10 CGCDRO COc1ccc(C[N@@H+]2CCC[C@H]3CCC[C@H]32)c(O)c1OC ZINC000891802425 618307878 /nfs/dbraw/zinc/30/78/78/618307878.db2.gz CAYMYKNFBNYONX-TZMCWYRMSA-N 1 0 291.391 3.174 20 10 CGCDRO C[C@H]([NH2+]CCOC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000308692138 618342646 /nfs/dbraw/zinc/34/26/46/618342646.db2.gz KKUSZTPUELAHRY-ZDUSSCGKSA-N 1 0 264.413 3.218 20 10 CGCDRO COc1cccc(C[NH+](CC2CC2)CC2CC2)c1O ZINC000093480128 618401547 /nfs/dbraw/zinc/40/15/47/618401547.db2.gz CLHPDKAOQNLCKY-UHFFFAOYSA-N 1 0 261.365 3.023 20 10 CGCDRO COc1ccc(C[N@@H+]2CCCC[C@H]2C(C)C)c(O)c1OC ZINC000892052822 618505052 /nfs/dbraw/zinc/50/50/52/618505052.db2.gz QPAYOLOJJGGPBI-AWEZNQCLSA-N 1 0 293.407 3.420 20 10 CGCDRO CC(=O)c1cc(F)cc(C[N@H+](C)Cc2ccccc2)c1O ZINC000050132555 618650547 /nfs/dbraw/zinc/65/05/47/618650547.db2.gz FAKLUOOZHAKYPT-UHFFFAOYSA-N 1 0 287.334 3.366 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCN2CCCC[C@@H]2C)c(O)c1 ZINC000185028111 625291122 /nfs/dbraw/zinc/29/11/22/625291122.db2.gz IOQLAWXPOGIJPC-GJZGRUSLSA-N 1 0 276.424 3.226 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCN2CCC[C@H](C)C2)c(O)c1 ZINC000185028419 625291894 /nfs/dbraw/zinc/29/18/94/625291894.db2.gz XXORKFCMWGJZHH-GJZGRUSLSA-N 1 0 276.424 3.083 20 10 CGCDRO COc1cc(C[N@H+](C)CCC(C)C)c(O)cc1C ZINC000179440356 618784484 /nfs/dbraw/zinc/78/44/84/618784484.db2.gz OWCHBVVINYPCEV-UHFFFAOYSA-N 1 0 251.370 3.187 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H](C)[C@H]2C)c(O)c1OC ZINC000892448015 618787811 /nfs/dbraw/zinc/78/78/11/618787811.db2.gz ZPECRSKZKOMSTF-OUCADQQQSA-N 1 0 293.407 3.324 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@](C)(O)C(C)C)cc1 ZINC000178115719 618857649 /nfs/dbraw/zinc/85/76/49/618857649.db2.gz KWUXNMRXYLRTJS-PBHICJAKSA-N 1 0 278.440 3.200 20 10 CGCDRO CCOCCCC[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000185071461 625298349 /nfs/dbraw/zinc/29/83/49/625298349.db2.gz PEMKMFQBQXNYPO-ZDUSSCGKSA-N 1 0 251.370 3.168 20 10 CGCDRO COc1cc(C[NH2+][C@@H](C)CF)c(O)c(C(C)(C)C)c1 ZINC000850309841 618860681 /nfs/dbraw/zinc/86/06/81/618860681.db2.gz NONSESSOPFJLHK-JTQLQIEISA-N 1 0 269.360 3.146 20 10 CGCDRO C[C@@H]([NH2+]CC[C@]1(C)CC1(F)F)c1ccccc1O ZINC000850535816 618871402 /nfs/dbraw/zinc/87/14/02/618871402.db2.gz BYEKILSPUDJPFA-ZWNOBZJWSA-N 1 0 255.308 3.478 20 10 CGCDRO CC[C@@H]([NH2+][C@H](COC)C(C)C)c1ccc(N(C)C)cc1 ZINC000165918315 618900716 /nfs/dbraw/zinc/90/07/16/618900716.db2.gz SPULZEVSJSQPGG-IAGOWNOFSA-N 1 0 278.440 3.464 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H](C)c2ccccc2O)nc1C ZINC000314149297 618960286 /nfs/dbraw/zinc/96/02/86/618960286.db2.gz KRZZMZCRPLUNEV-ZDUSSCGKSA-N 1 0 256.349 3.255 20 10 CGCDRO COc1ccc(C[NH2+]CCCC(C)(C)C)c(O)c1OC ZINC000892979535 618968963 /nfs/dbraw/zinc/96/89/63/618968963.db2.gz HOWKAIAYNSFPSL-UHFFFAOYSA-N 1 0 281.396 3.325 20 10 CGCDRO c1ccc(C[NH2+]Cc2ccc(N3CCCCC3)cc2)nc1 ZINC000020091628 618975283 /nfs/dbraw/zinc/97/52/83/618975283.db2.gz WUYOHUDZIHODHV-UHFFFAOYSA-N 1 0 281.403 3.362 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1CCCN1C)c1cc2c(cc1O)CCCC2 ZINC000185142297 625309674 /nfs/dbraw/zinc/30/96/74/625309674.db2.gz YXMSCAQZZAXARD-XJKSGUPXSA-N 1 0 288.435 3.016 20 10 CGCDRO COc1ccc2c(c1)C[N@@H+](Cc1cc(F)ccc1O)CC2 ZINC000179992705 619011495 /nfs/dbraw/zinc/01/14/95/619011495.db2.gz XRYNSNZALOEUPD-UHFFFAOYSA-N 1 0 287.334 3.098 20 10 CGCDRO CC[C@H]([NH2+]CCCSc1nccs1)c1nccn1C ZINC000182992989 619041862 /nfs/dbraw/zinc/04/18/62/619041862.db2.gz QYBPYFMQABZJGC-NSHDSACASA-N 1 0 296.465 3.100 20 10 CGCDRO CC[C@H](C)[N@H+](C)Cc1cc(Cl)cc(OC)c1O ZINC000184679657 619054147 /nfs/dbraw/zinc/05/41/47/619054147.db2.gz LZMYKGJRWSMYQR-VIFPVBQESA-N 1 0 257.761 3.285 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCc2ccc(C)nc2)c(O)c1 ZINC000185422132 619061116 /nfs/dbraw/zinc/06/11/16/619061116.db2.gz WSYIFCMPOOHGKI-AWEZNQCLSA-N 1 0 270.376 3.297 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2Cc3ccccc3O2)c1 ZINC000314593326 619126597 /nfs/dbraw/zinc/12/65/97/619126597.db2.gz RDFAXMIBBANKOX-DOMZBBRYSA-N 1 0 299.370 3.055 20 10 CGCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]CCCO)cc1 ZINC000072658726 625327635 /nfs/dbraw/zinc/32/76/35/625327635.db2.gz FNQCMIKEMJBLSY-UHFFFAOYSA-N 1 0 298.430 3.185 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2COc3ccccc3C2)c1 ZINC000185224218 619222735 /nfs/dbraw/zinc/22/27/35/619222735.db2.gz HCJXHNOJTNSTEA-ZFWWWQNUSA-N 1 0 283.371 3.355 20 10 CGCDRO CCOc1ccc(C[NH2+][C@@H](C)[C@](C)(OC)C2CC2)c(O)c1 ZINC000840960783 619279422 /nfs/dbraw/zinc/27/94/22/619279422.db2.gz MRXJYGBNZPLQGC-SJCJKPOMSA-N 1 0 293.407 3.084 20 10 CGCDRO CCCN(Cc1cn(CC)nc1C)c1ccc(C[NH3+])cc1 ZINC000894047684 619358791 /nfs/dbraw/zinc/35/87/91/619358791.db2.gz UPPKWACFMRGPGV-UHFFFAOYSA-N 1 0 286.423 3.087 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@H](C)CCc2ccco2)c1O ZINC000894142856 619391942 /nfs/dbraw/zinc/39/19/42/619391942.db2.gz OOOKJXUWUOKKMO-CYBMUJFWSA-N 1 0 289.375 3.413 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@H](C)CC(C)(C)OC)c1O ZINC000894298564 619473176 /nfs/dbraw/zinc/47/31/76/619473176.db2.gz KVAXGKMSPHELSI-GFCCVEGCSA-N 1 0 281.396 3.002 20 10 CGCDRO CCC(CC)[C@H](O)C[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000185424758 625358421 /nfs/dbraw/zinc/35/84/21/625358421.db2.gz NHYIDZMJNGMTHJ-BLLLJJGKSA-N 1 0 265.397 3.148 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@H](C2CC2)C2CCC2)c1O ZINC000894969083 619689142 /nfs/dbraw/zinc/68/91/42/619689142.db2.gz GWSUHBAAQBKARI-INIZCTEOSA-N 1 0 275.392 3.378 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]Cc1cnn(C2CCC2)c1 ZINC000895156026 619759514 /nfs/dbraw/zinc/75/95/14/619759514.db2.gz QGBXJNHBEMCHQF-UHFFFAOYSA-N 1 0 291.782 3.257 20 10 CGCDRO CC1=NO[C@@H](C[NH2+]Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000895310870 619803132 /nfs/dbraw/zinc/80/31/32/619803132.db2.gz KRQQRGOVCZFWEO-QGZVFWFLSA-N 1 0 296.370 3.314 20 10 CGCDRO C[C@@]1(C[NH2+]Cc2cc(F)ccc2O)CCOC2(CCC2)C1 ZINC000895822948 619890618 /nfs/dbraw/zinc/89/06/18/619890618.db2.gz PGPRRGAIYDCTEB-MRXNPFEDSA-N 1 0 293.382 3.360 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000895842744 619892854 /nfs/dbraw/zinc/89/28/54/619892854.db2.gz FHVOESFPFMKNRL-IAQYHMDHSA-N 1 0 281.783 3.047 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]CC1(C2(O)CCC2)CCC1 ZINC000895869944 619900365 /nfs/dbraw/zinc/90/03/65/619900365.db2.gz KHOPDHSNAGORFQ-UHFFFAOYSA-N 1 0 295.810 3.221 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCC[C@@H](c3ccn(C)n3)C2)c1O ZINC000896488927 620013837 /nfs/dbraw/zinc/01/38/37/620013837.db2.gz RNOSALNLHXELJV-OAHLLOKOSA-N 1 0 299.418 3.068 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+][C@H]1CCCc2cccnc21 ZINC000897076401 620137812 /nfs/dbraw/zinc/13/78/12/620137812.db2.gz YUOOMEJUWUZYIL-AWEZNQCLSA-N 1 0 272.323 3.094 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)[C@@H]1C[C@H]1C ZINC000840714121 620152484 /nfs/dbraw/zinc/15/24/84/620152484.db2.gz IQJHZSBWKSTHKW-CKEIUWERSA-N 1 0 290.476 3.374 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+][C@@H](C)c2cccnc2)c1O ZINC000228670160 620268687 /nfs/dbraw/zinc/26/86/87/620268687.db2.gz WMSBUYNLFHDEEK-JTQLQIEISA-N 1 0 292.766 3.300 20 10 CGCDRO Oc1cccc(Br)c1C[N@@H+]1CC[C@H]1C1CC1 ZINC000862384993 620297846 /nfs/dbraw/zinc/29/78/46/620297846.db2.gz NHURQVRGQBQXDE-LBPRGKRZSA-N 1 0 282.181 3.139 20 10 CGCDRO C[C@@H]([NH2+]C[C@]1(C)CCCO1)c1cc2c(cc1O)CCCC2 ZINC000185679349 625413181 /nfs/dbraw/zinc/41/31/81/625413181.db2.gz HYUIROBEICQJQC-ACJLOTCBSA-N 1 0 289.419 3.491 20 10 CGCDRO COc1cccc(C[NH2+]Cc2cc3ccccc3o2)c1O ZINC000237392332 620373047 /nfs/dbraw/zinc/37/30/47/620373047.db2.gz JEZZPRWVSMEWJE-UHFFFAOYSA-N 1 0 283.327 3.437 20 10 CGCDRO C[C@H](CCc1ccccc1)[NH2+]CCc1ccc(N)cc1 ZINC000841034050 620414939 /nfs/dbraw/zinc/41/49/39/620414939.db2.gz FVKKVFROKKEDBL-OAHLLOKOSA-N 1 0 268.404 3.422 20 10 CGCDRO [O-]c1c(Cl)cccc1C[NH2+][C@@H]1C[C@H]2CCC[C@@H]21 ZINC000897954425 620454823 /nfs/dbraw/zinc/45/48/23/620454823.db2.gz DUEQGIWLDDXPRA-SUZMYJTESA-N 1 0 251.757 3.324 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H]32)c1O ZINC000897955468 620455475 /nfs/dbraw/zinc/45/54/75/620455475.db2.gz VAOAIZDLBPFRQG-JIMOISOXSA-N 1 0 281.783 3.332 20 10 CGCDRO Oc1cc2c(cc1C[NH2+]CC[C@H]1CCC(F)(F)C1)OCO2 ZINC000898019457 620467491 /nfs/dbraw/zinc/46/74/91/620467491.db2.gz MRFJXXNYIGRLHH-SNVBAGLBSA-N 1 0 299.317 3.036 20 10 CGCDRO CCc1ccc(C[NH2+]CCc2ccc(N)cc2)cc1 ZINC000841037511 620471709 /nfs/dbraw/zinc/47/17/09/620471709.db2.gz UNXMYHYFNHWVFT-UHFFFAOYSA-N 1 0 254.377 3.164 20 10 CGCDRO Cc1cccc(C[N@@H+]2CC[C@H](Cc3nccs3)C2)c1O ZINC000898071430 620477115 /nfs/dbraw/zinc/47/71/15/620477115.db2.gz JZDONFZPYPKPKT-CYBMUJFWSA-N 1 0 288.416 3.222 20 10 CGCDRO CC[C@@](C)(C[NH2+][C@@H](C)c1ccc(N(C)C)cc1)OC ZINC000322964045 620527148 /nfs/dbraw/zinc/52/71/48/620527148.db2.gz VIGGKROMRVWCGS-BBRMVZONSA-N 1 0 264.413 3.218 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)c1cc(F)ccc1O ZINC000866499066 620536595 /nfs/dbraw/zinc/53/65/95/620536595.db2.gz DUXIWIPAYSQCTF-BDODKLCJSA-N 1 0 263.234 3.133 20 10 CGCDRO C[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000902485170 621353611 /nfs/dbraw/zinc/35/36/11/621353611.db2.gz IMNHNFQOYRYLFS-CIUDSAMLSA-N 1 0 289.206 3.087 20 10 CGCDRO CO[C@@H]1CC[C@H]1[N@H+](C)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000902634850 621389855 /nfs/dbraw/zinc/38/98/55/621389855.db2.gz UDIJLUSQNGPHHY-UKRRQHHQSA-N 1 0 293.407 3.005 20 10 CGCDRO Oc1ccccc1C[NH2+][C@H]1CCC[C@H](C2CCOCC2)C1 ZINC000902787044 621445406 /nfs/dbraw/zinc/44/54/06/621445406.db2.gz VWBDCNYCOOBFPX-RDJZCZTQSA-N 1 0 289.419 3.467 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+][C@@H]1CCOC13CCCC3)CC2 ZINC000903389326 621727844 /nfs/dbraw/zinc/72/78/44/621727844.db2.gz PGQITFVKJLDFPO-DZGCQCFKSA-N 1 0 273.376 3.071 20 10 CGCDRO C[C@H]([NH2+][C@@H]1COC[C@@H]1C1CC1)c1cc(Cl)ccc1O ZINC000903435280 621745581 /nfs/dbraw/zinc/74/55/81/621745581.db2.gz CCUFLIDGWQLLIR-CUOATXAZSA-N 1 0 281.783 3.121 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCOC2CCSCC2)c(O)c1 ZINC000903446143 621757495 /nfs/dbraw/zinc/75/74/95/621757495.db2.gz MQJVSLWJKIYDQJ-ZDUSSCGKSA-N 1 0 295.448 3.263 20 10 CGCDRO COc1cccc(O)c1C[N@H+](C)[C@H]1CCC[C@H](C)C1 ZINC000768262377 625531463 /nfs/dbraw/zinc/53/14/63/625531463.db2.gz JJYDEGSLHNRGSB-STQMWFEESA-N 1 0 263.381 3.411 20 10 CGCDRO CCO[C@@H]1CCC[N@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000155430434 622341939 /nfs/dbraw/zinc/34/19/39/622341939.db2.gz MRZVGQXRTNIQNT-OAHLLOKOSA-N 1 0 263.381 3.010 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CCC[C@H]2CSC)c(O)c1 ZINC000769513513 625571441 /nfs/dbraw/zinc/57/14/41/625571441.db2.gz AYIZYHIDEKVLQN-ZDUSSCGKSA-N 1 0 281.421 3.118 20 10 CGCDRO CC[C@@H](C)C[N@H+](C)Cc1cc(C)cc(OC)c1O ZINC000164316934 622828519 /nfs/dbraw/zinc/82/85/19/622828519.db2.gz NECRXJOIADRKNB-LLVKDONJSA-N 1 0 251.370 3.187 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2C[C@@H](C)S[C@@H](C)C2)c1 ZINC000164415625 622834826 /nfs/dbraw/zinc/83/48/26/622834826.db2.gz YNZSCGPONHCVNC-BETUJISGSA-N 1 0 265.422 3.335 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@H]2CSC)c1O ZINC000164526367 622836855 /nfs/dbraw/zinc/83/68/55/622836855.db2.gz JLJIYAKCHDINNN-ZDUSSCGKSA-N 1 0 281.421 3.037 20 10 CGCDRO OCCCCCC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000224946870 622891750 /nfs/dbraw/zinc/89/17/50/622891750.db2.gz DEAZBCNGUSPDEY-UHFFFAOYSA-N 1 0 290.451 3.319 20 10 CGCDRO Oc1ccccc1C[NH2+]Cc1cc(F)c(F)cc1F ZINC000225269599 622904443 /nfs/dbraw/zinc/90/44/43/622904443.db2.gz BLOSFXCSGSFSMM-UHFFFAOYSA-N 1 0 267.250 3.099 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1CCSC1)c1ccc(N(C)C)cc1 ZINC000226387761 622965672 /nfs/dbraw/zinc/96/56/72/622965672.db2.gz NWJBQLXIJWQAQJ-CHWSQXEVSA-N 1 0 264.438 3.156 20 10 CGCDRO Cc1ccc(OC[C@@H](C)[NH2+]Cc2cc(F)ccc2O)cc1 ZINC000226587936 622985324 /nfs/dbraw/zinc/98/53/24/622985324.db2.gz KHRQSLUOZCUWJX-CYBMUJFWSA-N 1 0 289.350 3.397 20 10 CGCDRO Cc1cccc(C[NH2+]C[C@@]2(N(C)C)CCC[C@@H](C)C2)c1O ZINC000158119100 623007729 /nfs/dbraw/zinc/00/77/29/623007729.db2.gz QVUHLHRNVYJQOJ-RDTXWAMCSA-N 1 0 290.451 3.301 20 10 CGCDRO C[C@H](O)C[C@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000228072729 623038613 /nfs/dbraw/zinc/03/86/13/623038613.db2.gz HNKJWDRGANAYJP-AVGNSLFASA-N 1 0 273.376 3.355 20 10 CGCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]C[C@@H](C)O)cc1 ZINC000060816458 623073617 /nfs/dbraw/zinc/07/36/17/623073617.db2.gz FFILSBNFALYTRW-MRXNPFEDSA-N 1 0 298.430 3.184 20 10 CGCDRO COc1cccc(C[NH2+][C@H](C)c2ccsc2)c1O ZINC000061360772 623132159 /nfs/dbraw/zinc/13/21/59/623132159.db2.gz OPWLPNJISKBRQF-SNVBAGLBSA-N 1 0 263.362 3.313 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2ccc3c(c2)CCCN3C)cn1 ZINC000062051465 623193479 /nfs/dbraw/zinc/19/34/79/623193479.db2.gz FCLNBIRCQOCVES-UHFFFAOYSA-N 1 0 281.403 3.062 20 10 CGCDRO C[C@@H]1CC[C@@H]([NH2+]Cc2cc(F)ccc2O)C[C@@H]1C ZINC000230691885 623266533 /nfs/dbraw/zinc/26/65/33/623266533.db2.gz XUXYONQEEBISLS-UHIISALHSA-N 1 0 251.345 3.446 20 10 CGCDRO C[C@H](CC(F)(F)F)[NH2+]Cc1cc(Cl)ccc1O ZINC000231750891 623338796 /nfs/dbraw/zinc/33/87/96/623338796.db2.gz PVPWLEQDQPLUEA-SSDOTTSWSA-N 1 0 267.678 3.476 20 10 CGCDRO CCC[C@H]1C[N@H+](Cc2cc(C)c(C)cc2O)CCO1 ZINC000152541597 623688887 /nfs/dbraw/zinc/68/88/87/623688887.db2.gz YNDMRSVXOWZHIU-HNNXBMFYSA-N 1 0 263.381 3.010 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CS[C@H](C(C)(C)C)C2)c1 ZINC000754119475 623811336 /nfs/dbraw/zinc/81/13/36/623811336.db2.gz CIXOCOAZQHZYFD-WFASDCNBSA-N 1 0 295.448 3.411 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C1CCC1 ZINC000324655370 624109321 /nfs/dbraw/zinc/10/93/21/624109321.db2.gz GUYVSFVIIIURMK-GOSISDBHSA-N 1 0 288.435 3.192 20 10 CGCDRO CCCC[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000916837099 624216554 /nfs/dbraw/zinc/21/65/54/624216554.db2.gz PBCGJRWSLMWQMV-OKILXGFUSA-N 1 0 294.414 3.329 20 10 CGCDRO CO[C@@H](C[NH2+][C@H](C)c1ccc(N(C)C)cc1)C(C)(C)C ZINC000154923391 624393046 /nfs/dbraw/zinc/39/30/46/624393046.db2.gz IIOARTUFGGKGGM-CJNGLKHVSA-N 1 0 278.440 3.464 20 10 CGCDRO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1ccccc1O)C1CC1 ZINC000179557525 624665817 /nfs/dbraw/zinc/66/58/17/624665817.db2.gz HLONMTGGTVOYDH-UHFFFAOYSA-N 1 0 298.342 3.465 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(Cl)nc1)c1ccccc1O ZINC000179887690 624694719 /nfs/dbraw/zinc/69/47/19/624694719.db2.gz WLOMYMYJWQUTAQ-JTQLQIEISA-N 1 0 262.740 3.291 20 10 CGCDRO CC[N@H+](Cc1cc(OC)ccc1O)[C@@H](C)C(C)C ZINC000179885684 624694729 /nfs/dbraw/zinc/69/47/29/624694729.db2.gz RGEDTBBVXBTCMI-LBPRGKRZSA-N 1 0 251.370 3.267 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2Cc3ccccc3C[C@@H]2C)c1 ZINC000180433221 624746180 /nfs/dbraw/zinc/74/61/80/624746180.db2.gz XTMYNCQZEVJFSK-ZDUSSCGKSA-N 1 0 283.371 3.348 20 10 CGCDRO Cc1cccc(C[N@H+](C)CCOCc2ccccc2)c1O ZINC000180713161 624768148 /nfs/dbraw/zinc/76/81/48/624768148.db2.gz RFKLTXTYTFGZCJ-UHFFFAOYSA-N 1 0 285.387 3.349 20 10 CGCDRO COc1ccc(C[NH2+]CCOC2CCCC2)cc1C ZINC000070167954 624972926 /nfs/dbraw/zinc/97/29/26/624972926.db2.gz ZZPMECXJUVAOIM-UHFFFAOYSA-N 1 0 263.381 3.052 20 10 CGCDRO CCc1nc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)cs1 ZINC000182363230 624988279 /nfs/dbraw/zinc/98/82/79/624988279.db2.gz UHMFAXCQYYNONA-JTQLQIEISA-N 1 0 292.404 3.271 20 10 CGCDRO CCOC1CC[NH+](Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000184680599 625262103 /nfs/dbraw/zinc/26/21/03/625262103.db2.gz LIPQOPKCJWDRRC-UHFFFAOYSA-N 1 0 299.798 3.055 20 10 CGCDRO COc1cc(Cl)cc(C[NH+]2[C@H](C)CC[C@H]2C)c1O ZINC000184702634 625263727 /nfs/dbraw/zinc/26/37/27/625263727.db2.gz BZWNEMNEPXHIAB-NXEZZACHSA-N 1 0 269.772 3.427 20 10 CGCDRO Oc1cc2c(cc1C[N@@H+]1CCCC3(CC3)C1)CCC2 ZINC000184867364 625279042 /nfs/dbraw/zinc/27/90/42/625279042.db2.gz HWUUNVJAGWQCMG-UHFFFAOYSA-N 1 0 257.377 3.257 20 10 CGCDRO CC[C@@H]1CCC[C@H]([NH2+]Cc2cc(OC)ccc2O)C1 ZINC000085063182 625793696 /nfs/dbraw/zinc/79/36/96/625793696.db2.gz FIMKGEJIPNVVET-OCCSQVGLSA-N 1 0 263.381 3.459 20 10 CGCDRO c1cc2c(cc1C[NH2+]CC[C@H]1CCCCO1)CCCO2 ZINC000921982218 625951438 /nfs/dbraw/zinc/95/14/38/625951438.db2.gz DLLKJTGOVXKLLD-MRXNPFEDSA-N 1 0 275.392 3.060 20 10 CGCDRO COC1(C[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)CCC1 ZINC000186509439 625967787 /nfs/dbraw/zinc/96/77/87/625967787.db2.gz ZAJMEZMWZUNEHZ-CYBMUJFWSA-N 1 0 289.419 3.491 20 10 CGCDRO c1cc2c(cc1C[NH2+]C[C@@H]1CC3(CCC3)CO1)CCCO2 ZINC000922336908 625999984 /nfs/dbraw/zinc/99/99/84/625999984.db2.gz CQLRZTCQZALZAV-INIZCTEOSA-N 1 0 287.403 3.060 20 10 CGCDRO Cc1cc(O)c(C[NH2+]Cc2ccc3c(c2)ncn3C)cc1C ZINC000922482963 626009177 /nfs/dbraw/zinc/00/91/77/626009177.db2.gz WTMZYMLMXBWOHQ-UHFFFAOYSA-N 1 0 295.386 3.186 20 10 CGCDRO c1cc2c(cc1C[NH2+]C[C@]13CCC[C@H]1OCC3)CCCO2 ZINC000922697667 626033105 /nfs/dbraw/zinc/03/31/05/626033105.db2.gz VDHMPYANXZEOEU-QZTJIDSGSA-N 1 0 287.403 3.060 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]C[C@H]2CCCC3(CCC3)O2)c1 ZINC000922809873 626049698 /nfs/dbraw/zinc/04/96/98/626049698.db2.gz FWNMBFZFSBJLSS-OAHLLOKOSA-N 1 0 275.392 3.282 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCS[C@@H](C)C2)c1 ZINC000922836814 626054269 /nfs/dbraw/zinc/05/42/69/626054269.db2.gz OFUSEHKRRWZOJR-WCQYABFASA-N 1 0 251.395 3.074 20 10 CGCDRO C[C@H]([NH2+]CCN(C)C1CCCCC1)c1cc(F)ccc1O ZINC000756454574 626092959 /nfs/dbraw/zinc/09/29/59/626092959.db2.gz GOJBGMXEZBGSGP-ZDUSSCGKSA-N 1 0 294.414 3.446 20 10 CGCDRO CCc1onc(C)c1C[NH2+]Cc1cc(Cl)ccc1O ZINC000922987280 626115340 /nfs/dbraw/zinc/11/53/40/626115340.db2.gz DATCIHLOMPDCKO-UHFFFAOYSA-N 1 0 280.755 3.194 20 10 CGCDRO CCc1onc(C)c1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC000922989037 626116108 /nfs/dbraw/zinc/11/61/08/626116108.db2.gz XVJDHLXCWWEOOO-UHFFFAOYSA-N 1 0 274.364 3.152 20 10 CGCDRO COc1ccc(C[NH2+]CC2(O)CCC(C)CC2)cc1C ZINC000087045833 626164606 /nfs/dbraw/zinc/16/46/06/626164606.db2.gz WWPZNLCWFPQWBR-UHFFFAOYSA-N 1 0 277.408 3.034 20 10 CGCDRO CCOc1ccc(C[NH+]2CC3(C2)CCCC3)c(O)c1 ZINC000839105659 626315054 /nfs/dbraw/zinc/31/50/54/626315054.db2.gz UVPLBNGHLICJGL-UHFFFAOYSA-N 1 0 261.365 3.167 20 10 CGCDRO COc1cc(O)c(C[N@H+](C)C2CC(C)(C)C2)cc1OC ZINC000839184309 626327081 /nfs/dbraw/zinc/32/70/81/626327081.db2.gz GBGSRAGAJVFEOR-UHFFFAOYSA-N 1 0 279.380 3.030 20 10 CGCDRO CCOc1ccc(C[NH2+][C@]2(C)CC=CCC2)c(O)c1 ZINC000839191238 626328466 /nfs/dbraw/zinc/32/84/66/626328466.db2.gz HFROFHXBRMXBJK-MRXNPFEDSA-N 1 0 261.365 3.379 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+](C)C[C@H](C)C(=O)OC(C)(C)C)c1 ZINC000839192569 626329028 /nfs/dbraw/zinc/32/90/28/626329028.db2.gz LBKZPCKHKWVKAB-ZDUSSCGKSA-N 1 0 293.407 3.110 20 10 CGCDRO C[N@H+](Cc1cc(-n2ccnc2)cs1)Cc1ccccc1O ZINC000753537241 626454319 /nfs/dbraw/zinc/45/43/19/626454319.db2.gz SBZGZPIEZXQIDI-UHFFFAOYSA-N 1 0 299.399 3.271 20 10 CGCDRO Cc1cccc(CN(CCC[NH3+])c2ccccc2F)c1O ZINC000753591981 626457487 /nfs/dbraw/zinc/45/74/87/626457487.db2.gz UYJHUGJBERMJNN-UHFFFAOYSA-N 1 0 288.366 3.195 20 10 CGCDRO Cc1cc(C)c(O)c(C[NH+]2CCC(OC(C)C)CC2)c1 ZINC000754727155 626584953 /nfs/dbraw/zinc/58/49/53/626584953.db2.gz QCLHPZICQKSMQE-UHFFFAOYSA-N 1 0 277.408 3.398 20 10 CGCDRO CC[C@]1(C)CC[N@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000754739654 626585825 /nfs/dbraw/zinc/58/58/25/626585825.db2.gz MCFKYTFLFWNOGX-MRXNPFEDSA-N 1 0 263.381 3.331 20 10 CGCDRO C[C@H]1C[C@H]([NH2+]CCCOCC2CC2)c2c1c(F)ccc2O ZINC000756361454 626696320 /nfs/dbraw/zinc/69/63/20/626696320.db2.gz ZZOOHXJEBFKAAV-FZMZJTMJSA-N 1 0 293.382 3.486 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]Cc2cn3ccccc3n2)c(O)c1 ZINC000756364380 626697043 /nfs/dbraw/zinc/69/70/43/626697043.db2.gz URXLJILEIPZJDG-ZDUSSCGKSA-N 1 0 281.359 3.199 20 10 CGCDRO C[C@H]([NH2+]CCN1CCC(C)CC1)c1cc(Cl)ccc1O ZINC000756413090 626703304 /nfs/dbraw/zinc/70/33/04/626703304.db2.gz BOUVWWBQEOGHTL-ZDUSSCGKSA-N 1 0 296.842 3.428 20 10 CGCDRO C[C@@H]([NH2+]CCOc1ccc(F)cc1)c1cc(F)ccc1O ZINC000756465648 626707636 /nfs/dbraw/zinc/70/76/36/626707636.db2.gz KGWMYNIEMSFWSO-LLVKDONJSA-N 1 0 293.313 3.400 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H](C)Cc2cnccn2)c(O)c1C ZINC000756492774 626709629 /nfs/dbraw/zinc/70/96/29/626709629.db2.gz AJVDPKFFWHJCOI-OCCSQVGLSA-N 1 0 285.391 3.081 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccn(C)n1 ZINC000756496946 626709920 /nfs/dbraw/zinc/70/99/20/626709920.db2.gz KIZWTYIFCMJMOB-MRXNPFEDSA-N 1 0 298.434 3.043 20 10 CGCDRO CCC(CC)[C@@H](O)C[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000756569478 626716337 /nfs/dbraw/zinc/71/63/37/626716337.db2.gz OVLOWBYNQCYAEP-CJNGLKHVSA-N 1 0 279.424 3.457 20 10 CGCDRO CCc1cc(C[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)[nH]n1 ZINC000756571190 626716360 /nfs/dbraw/zinc/71/63/60/626716360.db2.gz CRRZUQOIZXTZBB-LBPRGKRZSA-N 1 0 299.418 3.407 20 10 CGCDRO Cc1cc(C[NH2+][C@@H](C)c2ccc3ccccc3c2O)[nH]n1 ZINC000756586673 626718667 /nfs/dbraw/zinc/71/86/67/626718667.db2.gz VGHYRCCIJCNRGN-LBPRGKRZSA-N 1 0 281.359 3.428 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[C@H](O)C2)c(O)c1C ZINC000756603268 626719848 /nfs/dbraw/zinc/71/98/48/626719848.db2.gz AARZULRVKGZILE-ZNMIVQPWSA-N 1 0 277.408 3.211 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCN2CCC[C@H]2C)c(O)c1C ZINC000756616927 626720354 /nfs/dbraw/zinc/72/03/54/626720354.db2.gz MCQPZEYTTMBSEU-HIFRSBDPSA-N 1 0 276.424 3.144 20 10 CGCDRO CC(C)[C@@H](CCO)[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000756609973 626720384 /nfs/dbraw/zinc/72/03/84/626720384.db2.gz PAJGCUCBPKFLDW-CXAGYDPISA-N 1 0 291.435 3.329 20 10 CGCDRO Cc1ccccc1[C@H](CO)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000756637001 626722852 /nfs/dbraw/zinc/72/28/52/626722852.db2.gz KVYHPGOGNDGAEJ-WBMJQRKESA-N 1 0 289.350 3.224 20 10 CGCDRO Cc1ncc(CC[NH2+][C@H](C)c2cc(C)ccc2O)s1 ZINC000756757499 626729349 /nfs/dbraw/zinc/72/93/49/626729349.db2.gz BWIYHVLUTSQBRP-LLVKDONJSA-N 1 0 276.405 3.359 20 10 CGCDRO COCCC1(C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)CC1 ZINC000756762448 626730011 /nfs/dbraw/zinc/73/00/11/626730011.db2.gz ZZINHUSMLHKQLR-YPMHNXCESA-N 1 0 293.382 3.486 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(F)n2)c1 ZINC000756767228 626730233 /nfs/dbraw/zinc/73/02/33/626730233.db2.gz DXJXAIRSWCWMHW-LLVKDONJSA-N 1 0 260.312 3.086 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCc2ccc(CO)cc2)c(O)c1C ZINC000756792096 626732868 /nfs/dbraw/zinc/73/28/68/626732868.db2.gz XJOPZKOOQCUBKC-OAHLLOKOSA-N 1 0 299.414 3.395 20 10 CGCDRO CCN(C)c1ccc(C[NH2+][C@H](C)C2(OC)CCC2)cc1 ZINC000839660547 626771863 /nfs/dbraw/zinc/77/18/63/626771863.db2.gz MLTJOZFMMXUTTH-CQSZACIVSA-N 1 0 276.424 3.190 20 10 CGCDRO COc1cccc(O)c1C[NH2+]CC1(C)CCCCC1 ZINC000757693655 626801037 /nfs/dbraw/zinc/80/10/37/626801037.db2.gz MGDGBNBSVYFVEZ-UHFFFAOYSA-N 1 0 263.381 3.461 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCO[C@H](C3CCCCC3)C2)c1O ZINC000758061579 626824656 /nfs/dbraw/zinc/82/46/56/626824656.db2.gz AEYJGIFFZLBVFL-KRWDZBQOSA-N 1 0 289.419 3.482 20 10 CGCDRO Oc1ccc2ccncc2c1C[N@@H+]1CCC2(CCC2)C1 ZINC000758393265 626841302 /nfs/dbraw/zinc/84/13/02/626841302.db2.gz FAZJMOOBVDNGFA-UHFFFAOYSA-N 1 0 268.360 3.316 20 10 CGCDRO C[C@@H]([NH2+][C@@H](CO)CC(F)F)c1ccc2ccccc2c1O ZINC000760038005 626937469 /nfs/dbraw/zinc/93/74/69/626937469.db2.gz LVRLKPVOQIKYAL-ZYHUDNBSSA-N 1 0 295.329 3.212 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)c(O)c1 ZINC000763525673 627163419 /nfs/dbraw/zinc/16/34/19/627163419.db2.gz LHQNSHDNOLQXQO-BBRMVZONSA-N 1 0 293.407 3.084 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H](O)CC(C)C)c1ccc(N(C)C)cc1 ZINC000765473142 627251741 /nfs/dbraw/zinc/25/17/41/627251741.db2.gz DCWSSVJTAMQZOY-DLBZAZTESA-N 1 0 278.440 3.200 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCN(C)[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000766165935 627300669 /nfs/dbraw/zinc/30/06/69/627300669.db2.gz MTULGFBMKLCAQU-KYJSFNMBSA-N 1 0 289.467 3.276 20 10 CGCDRO CCCC[N@H+](CCO)Cc1ccc(N(CC)CC)cc1 ZINC000768139649 627463024 /nfs/dbraw/zinc/46/30/24/627463024.db2.gz FVOJXURCYJMGSA-UHFFFAOYSA-N 1 0 278.440 3.127 20 10 CGCDRO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1cc(C)c(C)cc1O ZINC000768172928 627465651 /nfs/dbraw/zinc/46/56/51/627465651.db2.gz RSCQIELROQMATJ-HIFRSBDPSA-N 1 0 263.381 3.008 20 10 CGCDRO COc1cccc(O)c1C[N@H+](Cc1ccco1)C(C)C ZINC000768249733 627470678 /nfs/dbraw/zinc/47/06/78/627470678.db2.gz JCGHGLFZXVRBKQ-UHFFFAOYSA-N 1 0 275.348 3.404 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H]2C(C)C)c1 ZINC000768320327 627473569 /nfs/dbraw/zinc/47/35/69/627473569.db2.gz SIFFSCRZOOLEFA-HNNXBMFYSA-N 1 0 263.381 3.411 20 10 CGCDRO CCOc1ccc(C[N@H+](CCOC)C(CC)CC)c(O)c1 ZINC000768601694 627488904 /nfs/dbraw/zinc/48/89/04/627488904.db2.gz ODAGDWRYSHSPSP-UHFFFAOYSA-N 1 0 295.423 3.428 20 10 CGCDRO Cc1cc(C[N@@H+](C)Cc2ccccc2O)cnc1Cl ZINC000768873550 627505403 /nfs/dbraw/zinc/50/54/03/627505403.db2.gz PUFPBYLEQBWAGC-UHFFFAOYSA-N 1 0 276.767 3.381 20 10 CGCDRO CCOc1ccc(C[NH2+][C@H](C)CCC2CC2)c(O)c1 ZINC000768953286 627511534 /nfs/dbraw/zinc/51/15/34/627511534.db2.gz PQAVWQWCYCACEY-GFCCVEGCSA-N 1 0 263.381 3.459 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](C)[C@H]2C)c1 ZINC000769223763 627531650 /nfs/dbraw/zinc/53/16/50/627531650.db2.gz QRHRICJUCBDKJB-QWHCGFSZSA-N 1 0 263.381 3.411 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CCC[C@H](C)[C@H]2C)c(O)c1 ZINC000769224880 627531817 /nfs/dbraw/zinc/53/18/17/627531817.db2.gz ZWWDMWJITGJAEW-QWHCGFSZSA-N 1 0 263.381 3.411 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000769236717 627532290 /nfs/dbraw/zinc/53/22/90/627532290.db2.gz CDSLFJFZTUKZBG-CQSZACIVSA-N 1 0 261.365 3.165 20 10 CGCDRO CCCO[C@H]1CCC[N@H+](Cc2c(O)cccc2OC)CC1 ZINC000769383647 627546985 /nfs/dbraw/zinc/54/69/85/627546985.db2.gz FWVFQOOHJHSMAN-AWEZNQCLSA-N 1 0 293.407 3.182 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H](CC(C)C)C1 ZINC000769403354 627549504 /nfs/dbraw/zinc/54/95/04/627549504.db2.gz RBFKLXMKSHPROU-ZDUSSCGKSA-N 1 0 263.381 3.269 20 10 CGCDRO CN(C)c1ccc(C[NH+]2C[C@H]3CCCC[C@@H]3C2)cc1 ZINC000769426789 627551179 /nfs/dbraw/zinc/55/11/79/627551179.db2.gz WXKKSGWRTXEOTR-HZPDHXFCSA-N 1 0 258.409 3.375 20 10 CGCDRO C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)C(C)(C)C1 ZINC000769450156 627553493 /nfs/dbraw/zinc/55/34/93/627553493.db2.gz BCAVLABHDAMUQJ-OAHLLOKOSA-N 1 0 288.435 3.144 20 10 CGCDRO C[C@H]1COCCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000769457676 627554683 /nfs/dbraw/zinc/55/46/83/627554683.db2.gz OMCOKGLLVFMQJJ-INIZCTEOSA-N 1 0 288.435 3.288 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCOC[C@H](C)C2)cc1 ZINC000769456619 627555107 /nfs/dbraw/zinc/55/51/07/627555107.db2.gz OKJNLXJGSAKQCQ-OAHLLOKOSA-N 1 0 276.424 3.001 20 10 CGCDRO CC[C@H]1CCC[N@H+](Cc2c(O)cccc2OC)CC1 ZINC000769463190 627555636 /nfs/dbraw/zinc/55/56/36/627555636.db2.gz NYCFWNBWVXQFRH-ZDUSSCGKSA-N 1 0 263.381 3.413 20 10 CGCDRO [O-]c1c(Br)cccc1C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000769515345 627561530 /nfs/dbraw/zinc/56/15/30/627561530.db2.gz OJYOUCLGHTUMQT-NSHDSACASA-N 1 0 296.208 3.387 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)[C@H](CO)C(C)(C)C)cc1 ZINC000769534968 627563405 /nfs/dbraw/zinc/56/34/05/627563405.db2.gz ZYIVTFNRNMLRHR-QGZVFWFLSA-N 1 0 292.467 3.372 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](CO)c2ccsc2)c1 ZINC000769989787 627595635 /nfs/dbraw/zinc/59/56/35/627595635.db2.gz QIVCJBPVEUSATN-BXUZGUMPSA-N 1 0 277.389 3.146 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC000770510074 627623187 /nfs/dbraw/zinc/62/31/87/627623187.db2.gz WZKIZXDUNJRMMJ-QGZVFWFLSA-N 1 0 283.371 3.436 20 10 CGCDRO CN1CCC[N@H+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000771925075 627744765 /nfs/dbraw/zinc/74/47/65/627744765.db2.gz WUAAXUMNDIMCBX-UHFFFAOYSA-N 1 0 296.414 3.197 20 10 CGCDRO CCOc1cccc(C[N@H+](C)Cc2cccc(O)c2)c1O ZINC000771935006 627746293 /nfs/dbraw/zinc/74/62/93/627746293.db2.gz HDWMFQNWZLJWCR-UHFFFAOYSA-N 1 0 287.359 3.129 20 10 CGCDRO Cc1cc(C[NH2+][C@@H]2CC(C)(C)OC2(C)C)ccc1N(C)C ZINC000773001923 627840007 /nfs/dbraw/zinc/84/00/07/627840007.db2.gz UFPDACZSTRAKKR-MRXNPFEDSA-N 1 0 290.451 3.497 20 10 CGCDRO CCOC[C@H]1CCC[N@H+](Cc2ccc(N(C)CC)cc2)C1 ZINC000773754517 627910990 /nfs/dbraw/zinc/91/09/90/627910990.db2.gz GZUGOQZACMHUES-KRWDZBQOSA-N 1 0 290.451 3.391 20 10 CGCDRO CCN(C)c1ccc(CN2CC[C@H]([NH+](CC)CC)C2)cc1 ZINC000773754082 627911238 /nfs/dbraw/zinc/91/12/38/627911238.db2.gz KJSPEWDBWSRQCL-SFHVURJKSA-N 1 0 289.467 3.059 20 10 CGCDRO CCN(C)c1ccc(C[N@H+](C)Cc2cccc(O)c2)cc1 ZINC000773756800 627911729 /nfs/dbraw/zinc/91/17/29/627911729.db2.gz VQGKBDDUPIKZEB-UHFFFAOYSA-N 1 0 284.403 3.480 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)cc1 ZINC000773770025 627913646 /nfs/dbraw/zinc/91/36/46/627913646.db2.gz BEOCIKVLOAQSIV-INIZCTEOSA-N 1 0 298.434 3.245 20 10 CGCDRO CCN(C)c1ccc(C[N@H+](C)Cc2ccc(OC)nc2)cc1 ZINC000773808780 627916558 /nfs/dbraw/zinc/91/65/58/627916558.db2.gz QMKDHHWAGLEASO-UHFFFAOYSA-N 1 0 299.418 3.178 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCOCC23CCCC3)cc1 ZINC000773809841 627917051 /nfs/dbraw/zinc/91/70/51/627917051.db2.gz ATQUFPXTBZBBRU-UHFFFAOYSA-N 1 0 288.435 3.288 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)cc1 ZINC000773887223 627924943 /nfs/dbraw/zinc/92/49/43/627924943.db2.gz DZPRHWLNYVIPNJ-ZNMIVQPWSA-N 1 0 276.424 3.140 20 10 CGCDRO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1cc(OC)c(C)cc1O ZINC000774621435 628009390 /nfs/dbraw/zinc/00/93/90/628009390.db2.gz QJHIFEYRLKLMHJ-FZMZJTMJSA-N 1 0 263.381 3.330 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2OC)cc1 ZINC000774830927 628036290 /nfs/dbraw/zinc/03/62/90/628036290.db2.gz GMJQHRHOXRJZDY-WMZOPIPTSA-N 1 0 290.451 3.438 20 10 CGCDRO CCC[C@]1(CO)CCC[N@@H+]1Cc1cc(C)c(C)cc1O ZINC000775175422 628069076 /nfs/dbraw/zinc/06/90/76/628069076.db2.gz IAHGUXKVOGKUMX-QGZVFWFLSA-N 1 0 277.408 3.136 20 10 CGCDRO CC[C@H]([NH2+]Cc1cccc2c1OCCO2)c1ccccc1O ZINC000775414539 628092810 /nfs/dbraw/zinc/09/28/10/628092810.db2.gz HRGLTRUFHYZIBL-HNNXBMFYSA-N 1 0 299.370 3.404 20 10 CGCDRO CC[C@@H]([NH2+]C1CCOCC1)c1cc(Cl)ccc1O ZINC000775494280 628101072 /nfs/dbraw/zinc/10/10/72/628101072.db2.gz YXMMEMFZCTWPRI-CYBMUJFWSA-N 1 0 269.772 3.265 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@](C)(O)CC)c1cc(Cl)ccc1O ZINC000775502848 628101685 /nfs/dbraw/zinc/10/16/85/628101685.db2.gz WLBYEGKZGLIZMR-OCCSQVGLSA-N 1 0 271.788 3.247 20 10 CGCDRO CC[C@@H]([NH2+][C@H](CCO)C(C)C)c1cc(Cl)ccc1O ZINC000775507770 628101954 /nfs/dbraw/zinc/10/19/54/628101954.db2.gz DYHOQSPDPOGVAW-ZIAGYGMSSA-N 1 0 285.815 3.493 20 10 CGCDRO CC[C@@H]([NH2+][C@H]1CCN(C2CC2)C1)c1cc(Cl)ccc1O ZINC000775501843 628102036 /nfs/dbraw/zinc/10/20/36/628102036.db2.gz LVAFRTFHMQMCCB-SWLSCSKDSA-N 1 0 294.826 3.323 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2C[C@@H](C)CCC[C@@H]2C)c1 ZINC000775710021 628127926 /nfs/dbraw/zinc/12/79/26/628127926.db2.gz ZVKQBWLNKOXGDN-STQMWFEESA-N 1 0 263.381 3.411 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CCCC[C@@H](C)C2)c1 ZINC000775998787 628156653 /nfs/dbraw/zinc/15/66/53/628156653.db2.gz SQBBMWVYBIPEFS-CYBMUJFWSA-N 1 0 263.381 3.413 20 10 CGCDRO [O-]c1c(Cl)cccc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000776022886 628159217 /nfs/dbraw/zinc/15/92/17/628159217.db2.gz BJUFKMAWOHKCQP-UHFFFAOYSA-N 1 0 294.826 3.010 20 10 CGCDRO COc1cccc(O)c1C[NH2+]Cc1ccc(Cl)cc1F ZINC000778182276 628332600 /nfs/dbraw/zinc/33/26/00/628332600.db2.gz VSRHEMXYXKMQMD-UHFFFAOYSA-N 1 0 295.741 3.483 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)C1CCSCC1 ZINC000779017465 628383424 /nfs/dbraw/zinc/38/34/24/628383424.db2.gz LLMWINTXJPWGCD-GFCCVEGCSA-N 1 0 277.433 3.243 20 10 CGCDRO CCOC[C@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000779070985 628386505 /nfs/dbraw/zinc/38/65/05/628386505.db2.gz CMCYWMYAQKAJPT-UWVGGRQHSA-N 1 0 257.761 3.121 20 10 CGCDRO CC[C@@H]([NH2+][C@H]1CCCC[C@@H]1O)c1cc(Cl)ccc1O ZINC000779083599 628387824 /nfs/dbraw/zinc/38/78/24/628387824.db2.gz NIUQIJWPFXJTCG-IPYPFGDCSA-N 1 0 283.799 3.390 20 10 CGCDRO c1cc(N2CCCCC2)ccc1C[N@H+]1CC=CCC1 ZINC000779160618 628391495 /nfs/dbraw/zinc/39/14/95/628391495.db2.gz YNQAFNZVQNNSRQ-UHFFFAOYSA-N 1 0 256.393 3.439 20 10 CGCDRO Oc1ccc2ccccc2c1C[N@@H+]1CCOCC2(CC2)C1 ZINC000782301673 628636426 /nfs/dbraw/zinc/63/64/26/628636426.db2.gz PXWXUBBYWSEFAY-UHFFFAOYSA-N 1 0 283.371 3.158 20 10 CGCDRO CC1(C)CCC[C@](O)(C[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000782535641 628653238 /nfs/dbraw/zinc/65/32/38/628653238.db2.gz SJHKWSFDRXILMN-GOSISDBHSA-N 1 0 289.419 3.042 20 10 CGCDRO C1=CCC([NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC000125252440 634672277 /nfs/dbraw/zinc/67/22/77/634672277.db2.gz WQCGCAFXBIRAIH-UHFFFAOYSA-N 1 0 256.393 3.485 20 10 CGCDRO CCOCOc1ccc(C[NH2+]Cc2ccccc2O)cc1 ZINC000782956981 628670211 /nfs/dbraw/zinc/67/02/11/628670211.db2.gz VWGPQGHDXFVDAN-UHFFFAOYSA-N 1 0 287.359 3.055 20 10 CGCDRO COC[C@H]([NH2+]Cc1ccc(N(C)C)cc1)C1CCCC1 ZINC000783216876 628688466 /nfs/dbraw/zinc/68/84/66/628688466.db2.gz UQJIHYNCBXQNAV-KRWDZBQOSA-N 1 0 276.424 3.047 20 10 CGCDRO COC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)C1CCCC1 ZINC000783216877 628688517 /nfs/dbraw/zinc/68/85/17/628688517.db2.gz UQJIHYNCBXQNAV-QGZVFWFLSA-N 1 0 276.424 3.047 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H]1CCC=CO1)c1ccc(N(C)C)cc1 ZINC000783302100 628701510 /nfs/dbraw/zinc/70/15/10/628701510.db2.gz BKLBZESDNZBMOE-IRXDYDNUSA-N 1 0 274.408 3.486 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H]2CCC=CO2)cc1 ZINC000783310982 628702491 /nfs/dbraw/zinc/70/24/91/628702491.db2.gz RZSLLCBAQDRFKW-RHSMWYFYSA-N 1 0 274.408 3.486 20 10 CGCDRO C[C@H]1C[C@@H]([NH2+]CC2(N(C)C)CCC2)c2c1c(F)ccc2O ZINC000783315167 628703302 /nfs/dbraw/zinc/70/33/02/628703302.db2.gz VNZFCGFTRYINAK-WCQYABFASA-N 1 0 292.398 3.154 20 10 CGCDRO C[C@H]([NH2+]CCC[C@H]1CCCC[C@@H]1O)c1ccccc1O ZINC000783520186 628720784 /nfs/dbraw/zinc/72/07/84/628720784.db2.gz YXFNOZICJSGUDY-LZWOXQAQSA-N 1 0 277.408 3.374 20 10 CGCDRO Cc1ccccc1[C@H](CO)[NH2+][C@H](C)c1ccccc1O ZINC000783519122 628720858 /nfs/dbraw/zinc/72/08/58/628720858.db2.gz VZFNGTXGSIACHZ-CJNGLKHVSA-N 1 0 271.360 3.085 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1Cc2ccccc2OC[C@H]1C ZINC000783598484 628730649 /nfs/dbraw/zinc/73/06/49/628730649.db2.gz SZKBWTCOWREXPI-CYBMUJFWSA-N 1 0 299.370 3.184 20 10 CGCDRO C[N@H+](Cc1ccccc1O)C1CC(OC(C)(C)C)C1 ZINC000783649585 628735208 /nfs/dbraw/zinc/73/52/08/628735208.db2.gz HNNUUGZKFCSGPZ-UHFFFAOYSA-N 1 0 263.381 3.170 20 10 CGCDRO Cc1cccc(C[NH2+]C[C@]2(O)CCCC(C)(C)C2)c1O ZINC000783735838 628743966 /nfs/dbraw/zinc/74/39/66/628743966.db2.gz SWPOHOOAUJIKJC-KRWDZBQOSA-N 1 0 277.408 3.122 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C23CCC(CC2)C3)cc1F ZINC000784640608 628826670 /nfs/dbraw/zinc/82/66/70/628826670.db2.gz MJKYOAITLQZMPE-UHFFFAOYSA-N 1 0 262.372 3.314 20 10 CGCDRO CCOc1ccc(C[NH2+]CC[C@H]2CCO[C@@H](C)C2)c(O)c1 ZINC000784647058 628827320 /nfs/dbraw/zinc/82/73/20/628827320.db2.gz NLOPSQWQULBZKO-KBPBESRZSA-N 1 0 293.407 3.086 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](C)[C@@H](OC)C2)cc1 ZINC000784669258 628828339 /nfs/dbraw/zinc/82/83/39/628828339.db2.gz YWOYGZVATDSVMA-YJBOKZPZSA-N 1 0 290.451 3.390 20 10 CGCDRO CCOc1ccc(C[NH2+]Cc2cscc2C)c(O)c1 ZINC000785520913 628868994 /nfs/dbraw/zinc/86/89/94/628868994.db2.gz DMKYAQWKKSDGHE-UHFFFAOYSA-N 1 0 277.389 3.451 20 10 CGCDRO CC[C@@H]([NH2+]CCc1cncn1C)c1cc(Cl)ccc1O ZINC000788255383 629043541 /nfs/dbraw/zinc/04/35/41/629043541.db2.gz HOBOEGSTMCFTQX-CQSZACIVSA-N 1 0 293.798 3.063 20 10 CGCDRO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)Cc1ccccc1O ZINC000788495128 629059602 /nfs/dbraw/zinc/05/96/02/629059602.db2.gz ZRVADFIGUNGJMH-UHFFFAOYSA-N 1 0 290.294 3.072 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1cc[nH]c(=O)c1 ZINC000788585567 629066289 /nfs/dbraw/zinc/06/62/89/629066289.db2.gz VZHWJCBEMQRJHJ-CYBMUJFWSA-N 1 0 297.402 3.020 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCO[C@H](C(C)(C)C)C2)cc1C ZINC000790417576 629210393 /nfs/dbraw/zinc/21/03/93/629210393.db2.gz UOAWNOLYGVCJQN-INIZCTEOSA-N 1 0 277.408 3.256 20 10 CGCDRO CN1CCCC(C)(C)[C@H]1C[NH2+]Cc1cc(Cl)ccc1O ZINC000790484663 629212684 /nfs/dbraw/zinc/21/26/84/629212684.db2.gz HFCHJGVOHKFJNH-OAHLLOKOSA-N 1 0 296.842 3.256 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2N(C)CCCC2(C)C)c1 ZINC000790498873 629214104 /nfs/dbraw/zinc/21/41/04/629214104.db2.gz VCMBNVXYACZISC-PBHICJAKSA-N 1 0 290.451 3.472 20 10 CGCDRO C[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1ccc(F)cc1[O-] ZINC000790751886 629227393 /nfs/dbraw/zinc/22/73/93/629227393.db2.gz YXHRHBZMXBNKTD-CYBMUJFWSA-N 1 0 294.414 3.304 20 10 CGCDRO CC[N@H+](Cc1cnc(C)o1)Cc1ccc(N(C)C)cc1 ZINC000862212550 629323825 /nfs/dbraw/zinc/32/38/25/629323825.db2.gz UDRGMYDUXHVBRT-UHFFFAOYSA-N 1 0 273.380 3.071 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)C1CC(F)(F)C1 ZINC000862263216 629334753 /nfs/dbraw/zinc/33/47/53/629334753.db2.gz RWMORXSMFPMRSZ-NSHDSACASA-N 1 0 268.351 3.276 20 10 CGCDRO COCC[N@H+](Cc1cc(C)ccc1O)[C@H]1CC[C@H](C)C1 ZINC000792193007 629348235 /nfs/dbraw/zinc/34/82/35/629348235.db2.gz PNNIQZQQIZNEML-HOCLYGCPSA-N 1 0 277.408 3.338 20 10 CGCDRO COc1cccc(C[N@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)c1O ZINC000862444262 629376938 /nfs/dbraw/zinc/37/69/38/629376938.db2.gz UEDWPGCFTBDDOU-PHIMTYICSA-N 1 0 285.334 3.124 20 10 CGCDRO COc1ccc(O)c(C[NH+]2CC(Cc3cccs3)C2)c1 ZINC000862537559 629395036 /nfs/dbraw/zinc/39/50/36/629395036.db2.gz CMOATPDXXMSVDP-UHFFFAOYSA-N 1 0 289.400 3.137 20 10 CGCDRO CO[C@H]1CCC[C@H]([NH2+]CCCSc2nccs2)C1 ZINC000792993610 629401273 /nfs/dbraw/zinc/40/12/73/629401273.db2.gz VSFLXGHDCJBXOP-RYUDHWBXSA-N 1 0 286.466 3.173 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)cc1C ZINC000793220089 629430527 /nfs/dbraw/zinc/43/05/27/629430527.db2.gz QYCTVXITHVSIOF-GUYCJALGSA-N 1 0 275.392 3.008 20 10 CGCDRO CCN(CC)[C@H](C)C[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000793246840 629435172 /nfs/dbraw/zinc/43/51/72/629435172.db2.gz VJSFKCOLAMCQHS-GFCCVEGCSA-N 1 0 284.831 3.174 20 10 CGCDRO CC[N@@H+](Cc1cc(C)cc(OC)c1O)CC1CCC1 ZINC000794683161 629566367 /nfs/dbraw/zinc/56/63/67/629566367.db2.gz MIQNXKKQUCGBKF-UHFFFAOYSA-N 1 0 263.381 3.331 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc(OC)nc1)c1ccc(C)cc1O ZINC000794794931 629577165 /nfs/dbraw/zinc/57/71/65/629577165.db2.gz SKYXPSXWPIDDJU-OAHLLOKOSA-N 1 0 286.375 3.345 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)[C@@H]1CCOC1)c1ccc(C)cc1O ZINC000794803736 629579090 /nfs/dbraw/zinc/57/90/90/629579090.db2.gz SQOQFDGYBHYKKM-NFAWXSAZSA-N 1 0 263.381 3.166 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)C(=O)NC(C)(C)C)c1ccc(C)cc1O ZINC000794803297 629579684 /nfs/dbraw/zinc/57/96/84/629579684.db2.gz IAKLIWYOPIXEHN-OCCSQVGLSA-N 1 0 292.423 3.045 20 10 CGCDRO CC[C@H]([NH2+]CCC(=O)NC(C)(C)C)c1ccc(C)cc1O ZINC000794810914 629580122 /nfs/dbraw/zinc/58/01/22/629580122.db2.gz NVYAJIYDYLJIGC-AWEZNQCLSA-N 1 0 292.423 3.046 20 10 CGCDRO CC[C@H]([NH2+]Cc1cccc(N(C)C)n1)c1ccc(C)cc1O ZINC000794813888 629581083 /nfs/dbraw/zinc/58/10/83/629581083.db2.gz FWKJFXQUPAZKQH-INIZCTEOSA-N 1 0 299.418 3.403 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccnc2F)c(O)c1 ZINC000794834555 629584952 /nfs/dbraw/zinc/58/49/52/629584952.db2.gz JMYGYWQLYAVKLP-LLVKDONJSA-N 1 0 260.312 3.086 20 10 CGCDRO COc1ccc2ccc(O)c(C[N@@H+](C)C[C@H](C)OC)c2c1 ZINC000795745591 629713324 /nfs/dbraw/zinc/71/33/24/629713324.db2.gz DBTSXLSVQKWTMP-LBPRGKRZSA-N 1 0 289.375 3.021 20 10 CGCDRO CC(C)Cn1cc[nH+]c1NCc1ccc(N(C)C)c(F)c1 ZINC000795806347 629718002 /nfs/dbraw/zinc/71/80/02/629718002.db2.gz VWLPBOIDXPHOEE-UHFFFAOYSA-N 1 0 290.386 3.356 20 10 CGCDRO CC1=C(C)C[N@H+](Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000796021744 629736777 /nfs/dbraw/zinc/73/67/77/629736777.db2.gz VKNOVUKLJQUJPZ-UHFFFAOYSA-N 1 0 262.372 3.434 20 10 CGCDRO Cc1cccc(CCC[NH2+]Cc2cc(Cl)ccc2O)n1 ZINC000796448851 629781794 /nfs/dbraw/zinc/78/17/94/629781794.db2.gz NITKTYILJIKROX-UHFFFAOYSA-N 1 0 290.794 3.471 20 10 CGCDRO Cn1ccnc1[C@@H]([NH2+]Cc1cc(Cl)ccc1O)C1CC1 ZINC000796465260 629785654 /nfs/dbraw/zinc/78/56/54/629785654.db2.gz HSSVMLGACHZYEU-AWEZNQCLSA-N 1 0 291.782 3.020 20 10 CGCDRO CCOCc1cc(C[NH2+][C@@H]2CSC[C@@H]2C)ccc1OC ZINC000796484882 629789591 /nfs/dbraw/zinc/78/95/91/629789591.db2.gz WAKUIMCOOZMEFB-SWLSCSKDSA-N 1 0 295.448 3.073 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCc2ccco2)c(O)c1C ZINC000119881839 629790508 /nfs/dbraw/zinc/79/05/08/629790508.db2.gz RMYORSJJPRGWAQ-CYBMUJFWSA-N 1 0 259.349 3.495 20 10 CGCDRO COc1cccc(O)c1C[NH2+]CC1(c2ccccn2)CCC1 ZINC000796514717 629793462 /nfs/dbraw/zinc/79/34/62/629793462.db2.gz GHMZDMOVAOLXOV-UHFFFAOYSA-N 1 0 298.386 3.007 20 10 CGCDRO CCCN1CCC[C@H]1C[NH2+][C@@H](CC)c1ccccc1O ZINC000797114726 629890168 /nfs/dbraw/zinc/89/01/68/629890168.db2.gz KJBUOSBUMSLVKD-HOCLYGCPSA-N 1 0 276.424 3.307 20 10 CGCDRO C[C@H]([NH2+][C@H]1CC[C@@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000797133868 629892934 /nfs/dbraw/zinc/89/29/34/629892934.db2.gz QXKTYIKSDQYGSU-XEZPLFJOSA-N 1 0 292.398 3.111 20 10 CGCDRO CC[C@@H]([NH2+][C@H](CCO)Cc1ccccc1)c1ccccc1O ZINC000799730248 630227022 /nfs/dbraw/zinc/22/70/22/630227022.db2.gz CUTLVGKCNYOZSW-SJLPKXTDSA-N 1 0 299.414 3.427 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CC[C@H]2CCSC2)cc1F ZINC000865654447 630256894 /nfs/dbraw/zinc/25/68/94/630256894.db2.gz KQBWQMZJSUOUKC-LBPRGKRZSA-N 1 0 282.428 3.125 20 10 CGCDRO COCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1C ZINC000800478493 630284328 /nfs/dbraw/zinc/28/43/28/630284328.db2.gz IZVILUSTZMNCDI-YJBOKZPZSA-N 1 0 290.451 3.356 20 10 CGCDRO CCCC[N@H+](Cc1ccccc1O)[C@@H](C)CCOC ZINC000801599200 630346304 /nfs/dbraw/zinc/34/63/04/630346304.db2.gz FGLUUEOPDKODJN-AWEZNQCLSA-N 1 0 265.397 3.419 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H](CO)C(C)C)c1ccc(N(C)C)cc1 ZINC000806170172 630552969 /nfs/dbraw/zinc/55/29/69/630552969.db2.gz WNWPTNVGMUEOSE-DOTOQJQBSA-N 1 0 278.440 3.058 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)c1 ZINC000840118349 630599783 /nfs/dbraw/zinc/59/97/83/630599783.db2.gz DEZGKOUOOLPEJF-GVDBMIGSSA-N 1 0 289.419 3.134 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H]2CCCOC2)c1O ZINC000808678733 630664010 /nfs/dbraw/zinc/66/40/10/630664010.db2.gz WPMVTONZMPSBBV-VXGBXAGGSA-N 1 0 283.799 3.431 20 10 CGCDRO CC[C@](C)(O)C[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808693167 630664564 /nfs/dbraw/zinc/66/45/64/630664564.db2.gz DOFDTEHFSDWINF-YGRLFVJLSA-N 1 0 271.788 3.166 20 10 CGCDRO CCC[C@@H](O)C[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808694639 630664568 /nfs/dbraw/zinc/66/45/68/630664568.db2.gz FOGGQDFJGFEVBR-ZYHUDNBSSA-N 1 0 271.788 3.166 20 10 CGCDRO COCC[C@@H](C)[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808689016 630664646 /nfs/dbraw/zinc/66/46/46/630664646.db2.gz XDGLRRMOQQFRLK-GHMZBOCLSA-N 1 0 271.788 3.430 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CCCOC2)c1O ZINC000808693567 630664916 /nfs/dbraw/zinc/66/49/16/630664916.db2.gz HUIREVUUIFAIDG-PWSUYJOCSA-N 1 0 269.772 3.184 20 10 CGCDRO CO[C@H](C)[C@H](C)[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808716027 630669492 /nfs/dbraw/zinc/66/94/92/630669492.db2.gz QGHMWKXPRKMKSR-HBNTYKKESA-N 1 0 271.788 3.428 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCCCO)c1O ZINC000808718659 630670337 /nfs/dbraw/zinc/67/03/37/630670337.db2.gz OWLWDEKBRYKZEN-LLVKDONJSA-N 1 0 271.788 3.167 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)[C@H]2CCCOC2)cc1F ZINC000809692903 630784170 /nfs/dbraw/zinc/78/41/70/630784170.db2.gz JBGBYYOLFOWEGM-HNNXBMFYSA-N 1 0 294.414 3.283 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](C)CCO)c1ccc(C(F)(F)F)cc1O ZINC000810219579 630856013 /nfs/dbraw/zinc/85/60/13/630856013.db2.gz TYQBHNISCDUXLQ-JOYOIKCWSA-N 1 0 291.313 3.223 20 10 CGCDRO CC[C@H]([NH2+]CCc1cn[nH]c1)c1cc(Cl)ccc1O ZINC000810246487 630859228 /nfs/dbraw/zinc/85/92/28/630859228.db2.gz AXCXWRBGONLRJP-ZDUSSCGKSA-N 1 0 279.771 3.052 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)[C@H](C)OC)c1ccc(N(C)C)cc1 ZINC000810256476 630859783 /nfs/dbraw/zinc/85/97/83/630859783.db2.gz ADTXNLHCMZMTBS-WWGRRREGSA-N 1 0 264.413 3.217 20 10 CGCDRO CCCN(CC)C[C@H](C)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000810263787 630862658 /nfs/dbraw/zinc/86/26/58/630862658.db2.gz TUOKUHJCZXSSDR-QWHCGFSZSA-N 1 0 282.403 3.302 20 10 CGCDRO COCC1(CC[NH2+][C@@H](C)c2c(C)cc(C)cc2O)CC1 ZINC000842891582 635506078 /nfs/dbraw/zinc/50/60/78/635506078.db2.gz XQNSCSRGSMEGOA-AWEZNQCLSA-N 1 0 277.408 3.476 20 10 CGCDRO C[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)C1CCCC1 ZINC000876553070 634856049 /nfs/dbraw/zinc/85/60/49/634856049.db2.gz JPDPNZAUXSFPHN-UHFFFAOYSA-N 1 0 288.435 3.022 20 10 CGCDRO CCC[C@@H](C)C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000813330971 631410184 /nfs/dbraw/zinc/41/01/84/631410184.db2.gz KKJIDCYEOKOCCL-VXGBXAGGSA-N 1 0 251.370 3.488 20 10 CGCDRO COCC(C)(C)C[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000813883966 631476747 /nfs/dbraw/zinc/47/67/47/631476747.db2.gz YRZXMAKYKPBYMU-ZYHUDNBSSA-N 1 0 281.371 3.342 20 10 CGCDRO Cc1cc(C[N@@H+]2CCn3cccc3[C@H]2C)ccc1N(C)C ZINC000815011624 631704257 /nfs/dbraw/zinc/70/42/57/631704257.db2.gz UICNPAHPDONERK-OAHLLOKOSA-N 1 0 283.419 3.439 20 10 CGCDRO Cc1cc(C[NH2+][C@]2(C)CCO[C@@H]2C2CC2)ccc1N(C)C ZINC000815088424 631713699 /nfs/dbraw/zinc/71/36/99/631713699.db2.gz DJNSICFZZLZIDC-QZTJIDSGSA-N 1 0 288.435 3.108 20 10 CGCDRO COC[C@H]1CCCC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000815095481 631716223 /nfs/dbraw/zinc/71/62/23/631716223.db2.gz WTGVPHTYVUXPIE-KRWDZBQOSA-N 1 0 290.451 3.310 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@](C)(OC)C2)cc1 ZINC000815103958 631717781 /nfs/dbraw/zinc/71/77/81/631717781.db2.gz WMPWIDLHLDOHHN-KRWDZBQOSA-N 1 0 276.424 3.144 20 10 CGCDRO CO[C@H](C[NH2+][C@H](C)c1c(C)cc(C)cc1O)C(F)(F)F ZINC000815605131 631804624 /nfs/dbraw/zinc/80/46/24/631804624.db2.gz LVEXXHOPIVUBRX-ZYHUDNBSSA-N 1 0 291.313 3.237 20 10 CGCDRO CC(C)N1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC000816483900 631990301 /nfs/dbraw/zinc/99/03/01/631990301.db2.gz JIRAGPCXOOWFRB-UHFFFAOYSA-N 1 0 284.403 3.071 20 10 CGCDRO C[C@@H]1COCC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816513850 632000428 /nfs/dbraw/zinc/00/04/28/632000428.db2.gz DOFYLDBJKPJPEW-ZDUSSCGKSA-N 1 0 271.360 3.014 20 10 CGCDRO Oc1c(C[NH2+]CC[C@H]2CCCO2)ccc2ccccc21 ZINC000816534241 632005260 /nfs/dbraw/zinc/00/52/60/632005260.db2.gz BXGOBRULYVQPBO-OAHLLOKOSA-N 1 0 271.360 3.204 20 10 CGCDRO CCOCC[N@H+](C)Cc1ccc2ccccc2c1O ZINC000816565686 632015256 /nfs/dbraw/zinc/01/52/56/632015256.db2.gz YMOADOLFTMFXCP-UHFFFAOYSA-N 1 0 259.349 3.014 20 10 CGCDRO CO[C@H]1C[N@H+](Cc2ccc3ccccc3c2O)CC[C@@H]1C ZINC000816586422 632017291 /nfs/dbraw/zinc/01/72/91/632017291.db2.gz HMFZYTGAHDSWCQ-GUYCJALGSA-N 1 0 285.387 3.402 20 10 CGCDRO CO[C@H](C)C[N@H+](C)Cc1ccc2ccccc2c1O ZINC000816609824 632023660 /nfs/dbraw/zinc/02/36/60/632023660.db2.gz NTUFUWXIIZITCT-GFCCVEGCSA-N 1 0 259.349 3.012 20 10 CGCDRO CN(C)c1ccc([C@@H](N)C[NH2+][C@H]2CCC23CCCC3)cc1 ZINC000817942519 632240913 /nfs/dbraw/zinc/24/09/13/632240913.db2.gz PIHPXGRQPMDREB-IRXDYDNUSA-N 1 0 287.451 3.065 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)NC[C@H]2CCCC[NH2+]2)c1O ZINC000817949801 632246332 /nfs/dbraw/zinc/24/63/32/632246332.db2.gz NFZXIYCRGYJVPK-DGCLKSJQSA-N 1 0 282.815 3.147 20 10 CGCDRO CC[C@H]([NH2+]CC[C@H](C)[NH3+])c1cc(Cl)cc(Cl)c1[O-] ZINC000817952184 632247911 /nfs/dbraw/zinc/24/79/11/632247911.db2.gz IHNQYVJQBKKBFU-UFBFGSQYSA-N 1 0 291.222 3.477 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](N)c2ccccc2)c(O)c1 ZINC000817955588 632250236 /nfs/dbraw/zinc/25/02/36/632250236.db2.gz ZMUCBXNVSALKNJ-GOEBONIOSA-N 1 0 284.403 3.360 20 10 CGCDRO COc1ccc([C@H](C)[NH2+]CCc2ccc(N)cc2)cc1 ZINC000817955864 632251388 /nfs/dbraw/zinc/25/13/88/632251388.db2.gz JOIJIZGCWGQXMU-ZDUSSCGKSA-N 1 0 270.376 3.171 20 10 CGCDRO Nc1ccc(CC[NH2+][C@@H]2CCCNc3ccccc32)cc1 ZINC000817957790 632252329 /nfs/dbraw/zinc/25/23/29/632252329.db2.gz PCFHNBQALHNWCE-GOSISDBHSA-N 1 0 281.403 3.348 20 10 CGCDRO COc1cc([C@H](C)[NH2+]CCc2ccc(N)cc2)ccc1F ZINC000817956850 632252350 /nfs/dbraw/zinc/25/23/50/632252350.db2.gz FDYKPXCLSVTJQF-LBPRGKRZSA-N 1 0 288.366 3.310 20 10 CGCDRO CC[C@H]([NH2+][C@H](CN)CC(C)C)c1ccc(N(C)C)cc1 ZINC000817958179 632253549 /nfs/dbraw/zinc/25/35/49/632253549.db2.gz IMYVHLFOJMTCJF-RDJZCZTQSA-N 1 0 277.456 3.167 20 10 CGCDRO CC(C)CO[C@H]1C[C@@H]([NH2+]CCc2ccc(N)cc2)C1(C)C ZINC000817957910 632253618 /nfs/dbraw/zinc/25/36/18/632253618.db2.gz QOCQZKPVNJQFNO-SJORKVTESA-N 1 0 290.451 3.241 20 10 CGCDRO CC[C@@H]([NH2+][C@H](CN)C1CCCCC1)c1ccccc1O ZINC000817958140 632253814 /nfs/dbraw/zinc/25/38/14/632253814.db2.gz IGTOJEPLUZOMKZ-HZPDHXFCSA-N 1 0 276.424 3.341 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H]([NH3+])C(C)C)c1cccc(Cl)c1[O-] ZINC000817959789 632255107 /nfs/dbraw/zinc/25/51/07/632255107.db2.gz VCANBWMHRWJHNU-CHWSQXEVSA-N 1 0 270.804 3.070 20 10 CGCDRO CC[C@H]([NH2+]C[C@H](C)C[NH3+])c1cc(Cl)cc(Cl)c1[O-] ZINC000817962271 632257320 /nfs/dbraw/zinc/25/73/20/632257320.db2.gz KGCKXKNVNPNXIU-PELKAZGASA-N 1 0 291.222 3.335 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1cccc(Cl)c1[O-] ZINC000817968470 632261349 /nfs/dbraw/zinc/26/13/49/632261349.db2.gz JYDRNUJNEWJEDC-BXUZGUMPSA-N 1 0 282.815 3.228 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H](C)[NH3+])c1ccc(Cl)c(Cl)c1[O-] ZINC000817973759 632266519 /nfs/dbraw/zinc/26/65/19/632266519.db2.gz WBXMGOZHCRFRQE-GMSGAONNSA-N 1 0 277.195 3.087 20 10 CGCDRO CC[C@H]([NH3+])CN[C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000817979057 632270480 /nfs/dbraw/zinc/27/04/80/632270480.db2.gz HSLKRWKIWOBYQS-RDJZCZTQSA-N 1 0 289.467 3.455 20 10 CGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCC3(C)C)C2)cc1 ZINC000818342699 632311213 /nfs/dbraw/zinc/31/12/13/632311213.db2.gz USGIARISORIETD-RHSMWYFYSA-N 1 0 288.435 3.300 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1)C1CC1 ZINC000818345264 632312094 /nfs/dbraw/zinc/31/20/94/632312094.db2.gz SPCJZWHTYPEIRK-KSSFIOAISA-N 1 0 288.435 3.300 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CC12CC2)c1cc(Br)ccc1O ZINC000818355497 632312866 /nfs/dbraw/zinc/31/28/66/632312866.db2.gz GYSHMIDLUBOQMT-PELKAZGASA-N 1 0 282.181 3.358 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)c2ccc(NC(N)=O)cc2)c1 ZINC000103855631 632744317 /nfs/dbraw/zinc/74/43/17/632744317.db2.gz ODPAMQSLQRABMN-LBPRGKRZSA-N 1 0 299.374 3.042 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@H](C2CCC2)[C@@H]2CCOC2)cc1 ZINC000865762171 632883438 /nfs/dbraw/zinc/88/34/38/632883438.db2.gz WQBFRVTZXHTUPJ-SJLPKXTDSA-N 1 0 288.435 3.047 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]CC[C@@H](O)C1CCCC1 ZINC000865874778 632935050 /nfs/dbraw/zinc/93/50/50/632935050.db2.gz IOZBCLPGAOVONH-OAHLLOKOSA-N 1 0 283.799 3.076 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+](C)C[C@](C)(O)c2ccccc2)c1 ZINC000822517541 632958188 /nfs/dbraw/zinc/95/81/88/632958188.db2.gz ZCYQLAGTCZPIDL-SFHVURJKSA-N 1 0 285.387 3.040 20 10 CGCDRO C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@H]1C)c1cc(Cl)ccc1O ZINC000866443656 633133960 /nfs/dbraw/zinc/13/39/60/633133960.db2.gz RJXLNGXRYHGBCN-QYTUQVAYSA-N 1 0 269.772 3.262 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2)c1ccc(C)cc1O ZINC000866445299 633135048 /nfs/dbraw/zinc/13/50/48/633135048.db2.gz ORQXDZRLDMNNPX-PBBXXOOYSA-N 1 0 287.403 3.165 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2C[C@H](C)O[C@H]2C)c(O)c1 ZINC000866445685 633135556 /nfs/dbraw/zinc/13/55/56/633135556.db2.gz ARYIDTDKPFLRJT-XDQVBPFNSA-N 1 0 263.381 3.226 20 10 CGCDRO Cc1ncc([C@@H](C)[NH2+][C@H]2CCc3cccc(O)c32)s1 ZINC000866454650 633143120 /nfs/dbraw/zinc/14/31/20/633143120.db2.gz GHXKFMYBHYZAOF-SKDRFNHKSA-N 1 0 274.389 3.495 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]Cc1cccc(F)c1F)CC2 ZINC000866475583 633149238 /nfs/dbraw/zinc/14/92/38/633149238.db2.gz AIFPMYRYUHSYLT-CYBMUJFWSA-N 1 0 275.298 3.448 20 10 CGCDRO CC[C@H]1C[C@@H]([NH2+]CCCSc2nccs2)CCO1 ZINC000823938322 633170519 /nfs/dbraw/zinc/17/05/19/633170519.db2.gz XCSXQXRPXXVLOU-RYUDHWBXSA-N 1 0 286.466 3.173 20 10 CGCDRO CC[N@@H+](Cc1cc(Cl)c(C)cc1O)C[C@@H]1CCOC1 ZINC000824575138 633261176 /nfs/dbraw/zinc/26/11/76/633261176.db2.gz BTMSXQFBBLRJPJ-LBPRGKRZSA-N 1 0 283.799 3.212 20 10 CGCDRO CS[C@H]1CC[N@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000824683639 633272135 /nfs/dbraw/zinc/27/21/35/633272135.db2.gz SVGNSIZSQFBXSF-LBPRGKRZSA-N 1 0 271.813 3.291 20 10 CGCDRO CC(C)[C@@H](C)[N@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876573872 634861302 /nfs/dbraw/zinc/86/13/02/634861302.db2.gz GDOORBCOJARAMJ-OAHLLOKOSA-N 1 0 290.451 3.124 20 10 CGCDRO CC[N@@H+](Cc1ccc(Br)cc1O)CC1CC1 ZINC000824801494 633292460 /nfs/dbraw/zinc/29/24/60/633292460.db2.gz AVIAIYKKHYLUDO-UHFFFAOYSA-N 1 0 284.197 3.387 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2CCSC[C@@H]2C)cc1Cl ZINC000824806843 633292566 /nfs/dbraw/zinc/29/25/66/633292566.db2.gz AAWBYWKIQUWKSU-JTQLQIEISA-N 1 0 271.813 3.291 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2C[C@H](C3CC3)[C@H]2C2CC2)cc1 ZINC000824942429 633308841 /nfs/dbraw/zinc/30/88/41/633308841.db2.gz ZUKZZVCTXNSUHH-QZTJIDSGSA-N 1 0 270.420 3.373 20 10 CGCDRO CCc1ncc(C[NH2+][C@@H](CC)c2ccccc2O)o1 ZINC000825079332 633325897 /nfs/dbraw/zinc/32/58/97/633325897.db2.gz RNVFVKQRFOXBOY-ZDUSSCGKSA-N 1 0 260.337 3.184 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)c1O ZINC000825084754 633327129 /nfs/dbraw/zinc/32/71/29/633327129.db2.gz HMYVBRLDVXDQDG-NVXWUHKLSA-N 1 0 298.386 3.106 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cc(OC)c(OC)cc1O)C1CCCC1 ZINC000825124698 633330919 /nfs/dbraw/zinc/33/09/19/633330919.db2.gz WNWIQQYGKLLMHL-CQSZACIVSA-N 1 0 293.407 3.468 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]C2CCC(OC(F)F)CC2)c1 ZINC000825143655 633332571 /nfs/dbraw/zinc/33/25/71/633332571.db2.gz HKCJFTSSLSAZTG-UHFFFAOYSA-N 1 0 285.334 3.341 20 10 CGCDRO COCC1(C[NH2+][C@H](C)c2cc(OC)ccc2O)CCCC1 ZINC000825245555 633338657 /nfs/dbraw/zinc/33/86/57/633338657.db2.gz LQDIGVGSFRSZNF-CYBMUJFWSA-N 1 0 293.407 3.258 20 10 CGCDRO CC[C@H]([NH2+]CCN1CCCC1(C)C)c1ccccc1O ZINC000825332059 633347418 /nfs/dbraw/zinc/34/74/18/633347418.db2.gz QLFBJJVFFQUMOP-HNNXBMFYSA-N 1 0 276.424 3.307 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H](C)C[C@H]2CCOC2)cc1Cl ZINC000825347082 633348105 /nfs/dbraw/zinc/34/81/05/633348105.db2.gz IROGXKBTZXZONW-NWDGAFQWSA-N 1 0 283.799 3.259 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H]2C(C)(C)O)cc1Cl ZINC000825501503 633358710 /nfs/dbraw/zinc/35/87/10/633358710.db2.gz QMHJLVWQCONYNI-CQSZACIVSA-N 1 0 283.799 3.089 20 10 CGCDRO CC[C@@H](C)C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000122304336 633365343 /nfs/dbraw/zinc/36/53/43/633365343.db2.gz RGAHAVHPKXBDMC-CQSZACIVSA-N 1 0 276.424 3.300 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H](C)CN(C)C(C)C)cc1Cl ZINC000825943890 633390457 /nfs/dbraw/zinc/39/04/57/633390457.db2.gz LTHMLSYLRSAMCN-LBPRGKRZSA-N 1 0 284.831 3.172 20 10 CGCDRO CCCC[C@](C)(CO)[NH2+]Cc1cc(Cl)ccc1O ZINC000842745443 633409353 /nfs/dbraw/zinc/40/93/53/633409353.db2.gz BAVZQHFOZZBUSA-CQSZACIVSA-N 1 0 271.788 3.076 20 10 CGCDRO C[C@@]1(C2CC2)CN(Cc2cc(Cl)c(F)cc2[O-])CCO1 ZINC000826878435 633439721 /nfs/dbraw/zinc/43/97/21/633439721.db2.gz ZALZMZBWFBOCTN-HNNXBMFYSA-N 1 0 299.773 3.186 20 10 CGCDRO COc1ccc(O)c(C[NH2+]CCC2(CSC)CC2)c1 ZINC000826938058 633444410 /nfs/dbraw/zinc/44/44/10/633444410.db2.gz XYZVMAKRJVFESU-UHFFFAOYSA-N 1 0 281.421 3.024 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H]2C[C@@H](O)c3ccccc32)c1O ZINC000827172131 633467593 /nfs/dbraw/zinc/46/75/93/633467593.db2.gz PZHBMRVOCYPPSW-IAGOWNOFSA-N 1 0 283.371 3.223 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)c1cncc(F)c1 ZINC000122775418 633509465 /nfs/dbraw/zinc/50/94/65/633509465.db2.gz FFPYKNDZHUQGBI-CYBMUJFWSA-N 1 0 287.382 3.446 20 10 CGCDRO CCCN(C)CC(C)(C)[NH2+]Cc1cccc(CC)c1O ZINC000827722204 633512669 /nfs/dbraw/zinc/51/26/69/633512669.db2.gz CJGUGWYFEQVBFP-UHFFFAOYSA-N 1 0 278.440 3.165 20 10 CGCDRO COc1cccc(C[NH2+]Cc2cc(F)ccc2O)c1C ZINC000827779793 633516331 /nfs/dbraw/zinc/51/63/31/633516331.db2.gz MYNJBAOSTZWUNN-UHFFFAOYSA-N 1 0 275.323 3.138 20 10 CGCDRO Cc1cc(C[NH2+][C@H](C)[C@@H](C)CO)ccc1N1CCCCC1 ZINC000828846760 633660773 /nfs/dbraw/zinc/66/07/73/633660773.db2.gz RKAARAMOGBSYGJ-JKSUJKDBSA-N 1 0 290.451 3.092 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2C[C@@H]3CCC[C@@H]3O2)c1 ZINC000872109131 634032857 /nfs/dbraw/zinc/03/28/57/634032857.db2.gz HZRREVGKEUKSAG-GWIFVGGISA-N 1 0 291.391 3.009 20 10 CGCDRO CC[C@H]([NH2+]CCC[C@@H]1CCOC1=O)c1ccc(C)cc1O ZINC000872114909 634040452 /nfs/dbraw/zinc/04/04/52/634040452.db2.gz YRVXAQDVCWETHJ-HIFRSBDPSA-N 1 0 291.391 3.085 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCC2(CO)CCC2)c(O)c1C ZINC000846210763 636159500 /nfs/dbraw/zinc/15/95/00/636159500.db2.gz PKNRLGSPSZCLRR-AWEZNQCLSA-N 1 0 277.408 3.212 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2nccnc2C)c1 ZINC000872133659 634056369 /nfs/dbraw/zinc/05/63/69/634056369.db2.gz OFLFDUCZGPTTCJ-AAEUAGOBSA-N 1 0 271.364 3.211 20 10 CGCDRO COc1ccc(OCC[NH2+][C@@H]2CCc3cccc(O)c32)cc1 ZINC000834497173 634173877 /nfs/dbraw/zinc/17/38/77/634173877.db2.gz XMPBUDMQEVHSDU-MRXNPFEDSA-N 1 0 299.370 3.057 20 10 CGCDRO C[C@@H](C[NH2+][C@@H]1CCc2cccc(O)c21)N1CCCC[C@H]1C ZINC000834508960 634174857 /nfs/dbraw/zinc/17/48/57/634174857.db2.gz UFPAOEABAGWCLH-IJEWVQPXSA-N 1 0 288.435 3.232 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]CCN1CCc3ccccc31)CC2 ZINC000834544790 634179812 /nfs/dbraw/zinc/17/98/12/634179812.db2.gz QBPRBMCPZVIOIL-INIZCTEOSA-N 1 0 294.398 3.032 20 10 CGCDRO CO[C@H]1C[C@H]([NH2+]CCCSc2nccs2)C12CCC2 ZINC000834593017 634194132 /nfs/dbraw/zinc/19/41/32/634194132.db2.gz GSBZMGBPUQRMIV-RYUDHWBXSA-N 1 0 298.477 3.173 20 10 CGCDRO COc1ccc(C[NH2+][C@H](C)C2(C)CC2)cc1Cn1cccn1 ZINC000873025315 634232899 /nfs/dbraw/zinc/23/28/99/634232899.db2.gz CPYNABNRTDCEIA-CQSZACIVSA-N 1 0 299.418 3.218 20 10 CGCDRO CC1(C)C[C@@H]([NH2+][C@@H]2CCc3cccc(O)c32)C(C)(C)O1 ZINC000834756256 634236084 /nfs/dbraw/zinc/23/60/84/634236084.db2.gz LHQODNUEEDTJQT-TZMCWYRMSA-N 1 0 275.392 3.315 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]CC1(c3ccccn3)CCC1)CC2 ZINC000834798374 634243612 /nfs/dbraw/zinc/24/36/12/634243612.db2.gz CZEUORPYCFGRDS-OAHLLOKOSA-N 1 0 294.398 3.486 20 10 CGCDRO CCCCN(C)C[C@@H](C)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834803903 634244632 /nfs/dbraw/zinc/24/46/32/634244632.db2.gz ZXRMRNNHWVZABD-UKRRQHHQSA-N 1 0 276.424 3.090 20 10 CGCDRO Cn1ncc2ccc(C[NH2+][C@@H]3CCc4cccc(O)c43)cc21 ZINC000834806694 634244866 /nfs/dbraw/zinc/24/48/66/634244866.db2.gz INOKNYLQCCQRFB-OAHLLOKOSA-N 1 0 293.370 3.056 20 10 CGCDRO CCCOc1ccc(C[NH2+]C[C@H]2CC[C@H](O)C2)cc1C ZINC000873113252 634248112 /nfs/dbraw/zinc/24/81/12/634248112.db2.gz VZSMBDHFYQWDBJ-HOTGVXAUSA-N 1 0 277.408 3.034 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CCOC1(C)C)c1cc2c(cc1O)CCCC2 ZINC000834874073 634261462 /nfs/dbraw/zinc/26/14/62/634261462.db2.gz AWIMUIBKYAZVAU-PXAZEXFGSA-N 1 0 289.419 3.489 20 10 CGCDRO C[C@H](CC(C)(C)O)[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000834877036 634263240 /nfs/dbraw/zinc/26/32/40/634263240.db2.gz RURYDNLWQCLBLU-HOSYDEDBSA-N 1 0 281.371 3.219 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1CCC[C@H]1OC)c1ccc(N(C)C)cc1 ZINC000834887611 634268919 /nfs/dbraw/zinc/26/89/19/634268919.db2.gz WAHAOKZXPKNKMS-BRWVUGGUSA-N 1 0 276.424 3.361 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCC[C@H]1OC)c1ccc(N(C)C)cc1 ZINC000834887612 634269121 /nfs/dbraw/zinc/26/91/21/634269121.db2.gz WAHAOKZXPKNKMS-GVDBMIGSSA-N 1 0 276.424 3.361 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)c1ccc(N2CCCCC2)cc1)[C@H](C)O ZINC000834887720 634269248 /nfs/dbraw/zinc/26/92/48/634269248.db2.gz LLRFHKNJMACJFV-VKJFTORMSA-N 1 0 290.451 3.487 20 10 CGCDRO CCCN(CCC)c1ccc(C[NH2+]C[C@H]2C[C@H](O)C2)cc1 ZINC000873176575 634271949 /nfs/dbraw/zinc/27/19/49/634271949.db2.gz DSCHXNFKCDBOLP-SAABIXHNSA-N 1 0 290.451 3.174 20 10 CGCDRO CCn1ccnc1[C@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000834894799 634272007 /nfs/dbraw/zinc/27/20/07/634272007.db2.gz MGRQFQFJBYZTRZ-RYUDHWBXSA-N 1 0 259.353 3.020 20 10 CGCDRO CCC1(C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)COC1 ZINC000834899177 634275849 /nfs/dbraw/zinc/27/58/49/634275849.db2.gz IYOSUOWDUQRIGL-PWSUYJOCSA-N 1 0 279.355 3.096 20 10 CGCDRO CCc1ncc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)o1 ZINC000834899593 634276354 /nfs/dbraw/zinc/27/63/54/634276354.db2.gz LBFHKDVTTRBXKX-LBPRGKRZSA-N 1 0 273.380 3.154 20 10 CGCDRO CCC1(C[NH2+][C@H](C)c2cc(Cl)ccc2O)COC1 ZINC000834899455 634276757 /nfs/dbraw/zinc/27/67/57/634276757.db2.gz KHWRZMQRJKBEJD-SNVBAGLBSA-N 1 0 269.772 3.123 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCC[C@@H]2CCOC2)c(O)c1C ZINC000834901502 634277937 /nfs/dbraw/zinc/27/79/37/634277937.db2.gz AXRHMZMZEYPLRV-LSDHHAIUSA-N 1 0 277.408 3.476 20 10 CGCDRO C[C@H]([NH2+]CC(C)(C)C1(O)CCCC1)c1ccccc1O ZINC000834905091 634281633 /nfs/dbraw/zinc/28/16/33/634281633.db2.gz FIRUTRZBHHAIAN-ZDUSSCGKSA-N 1 0 277.408 3.374 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2COCC2(C)C)c1O ZINC000834905815 634282008 /nfs/dbraw/zinc/28/20/08/634282008.db2.gz WNBGGYSZYIXIOS-ZWNOBZJWSA-N 1 0 283.799 3.430 20 10 CGCDRO COCC1(C[NH2+][C@H]2CCc3cccc(O)c32)CCCC1 ZINC000834906947 634283396 /nfs/dbraw/zinc/28/33/96/634283396.db2.gz UWMAFJZDLLIQRY-AWEZNQCLSA-N 1 0 275.392 3.176 20 10 CGCDRO CC[C@H]([NH2+]C[C@H]1CC[C@@H](C)O1)c1ccc(N(C)C)cc1 ZINC000834915253 634286394 /nfs/dbraw/zinc/28/63/94/634286394.db2.gz PJQHZBLMQLQCAQ-XYPHTWIQSA-N 1 0 276.424 3.361 20 10 CGCDRO CC[N@H+](C/C=C/c1ccc(N(C)C)cc1)C[C@H]1CCOC1 ZINC000835026231 634325566 /nfs/dbraw/zinc/32/55/66/634325566.db2.gz SMAFOAWAQPZWKB-FUTAKVPZSA-N 1 0 288.435 3.124 20 10 CGCDRO COC[C@@H]1CCC[N@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835028917 634326461 /nfs/dbraw/zinc/32/64/61/634326461.db2.gz NGSSRDOUHRVJOD-XQDHMALISA-N 1 0 288.435 3.124 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@@H](O)c2ccccc2)cc1 ZINC000835032918 634327491 /nfs/dbraw/zinc/32/74/91/634327491.db2.gz AEFNEVNDOVDPER-OVKVCFKUSA-N 1 0 296.414 3.089 20 10 CGCDRO CSCC[C@@H](C)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835039268 634328245 /nfs/dbraw/zinc/32/82/45/634328245.db2.gz COMQGHDXCAKZJF-GEXIGZQTSA-N 1 0 278.465 3.497 20 10 CGCDRO CSC[C@H](C)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835039178 634328323 /nfs/dbraw/zinc/32/83/23/634328323.db2.gz CCWACKLTEJIARU-GFUIURDCSA-N 1 0 264.438 3.107 20 10 CGCDRO C[C@@H]1C[C@@H](C[NH2+]C/C=C/c2ccc(N(C)C)cc2)CCO1 ZINC000835041794 634329246 /nfs/dbraw/zinc/32/92/46/634329246.db2.gz ASODDFZPSUHMIG-LUJIMGINSA-N 1 0 288.435 3.171 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H]2CC=CCC2)cc1 ZINC000835040371 634329398 /nfs/dbraw/zinc/32/93/98/634329398.db2.gz PZVNDMOPUMCZTM-FYCOFBDGSA-N 1 0 256.393 3.464 20 10 CGCDRO COCCC(C)(C)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835043451 634331536 /nfs/dbraw/zinc/33/15/36/634331536.db2.gz RBMCYFNPQHAZSV-VOTSOKGWSA-N 1 0 276.424 3.171 20 10 CGCDRO COCC1=CC[N@H+](C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000835044448 634331691 /nfs/dbraw/zinc/33/16/91/634331691.db2.gz CWOMOFLRBNDUMQ-SNAWJCMRSA-N 1 0 286.419 3.044 20 10 CGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CCCSCC2)cc1 ZINC000835045363 634332188 /nfs/dbraw/zinc/33/21/88/634332188.db2.gz VILSWGITXLYWJO-HYXAFXHYSA-N 1 0 276.449 3.205 20 10 CGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@H]2C(C)(C)O)cc1 ZINC000835048212 634334474 /nfs/dbraw/zinc/33/44/74/634334474.db2.gz NUGVKHCNGVWUIQ-UABRLCRWSA-N 1 0 288.435 3.001 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+]CCOCC2CCC2)cc1 ZINC000835047686 634334686 /nfs/dbraw/zinc/33/46/86/634334686.db2.gz UJKJUOVOQKEVHY-DAXSKMNVSA-N 1 0 288.435 3.172 20 10 CGCDRO CCc1noc(C)c1C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835055929 634339343 /nfs/dbraw/zinc/33/93/43/634339343.db2.gz PSEOSSFNKCXEPY-SREVYHEPSA-N 1 0 299.418 3.414 20 10 CGCDRO CCOc1ccc(C[NH2+]CCC2CC(F)(F)C2)c(O)c1 ZINC000835060829 634341810 /nfs/dbraw/zinc/34/18/10/634341810.db2.gz ODGTWRQTSRXCLS-UHFFFAOYSA-N 1 0 285.334 3.316 20 10 CGCDRO CC1(C)C[C@H](C[NH2+]Cc2c(O)cccc2Cl)CCO1 ZINC000835060638 634341856 /nfs/dbraw/zinc/34/18/56/634341856.db2.gz SLKRXFCHMUUSSS-LLVKDONJSA-N 1 0 283.799 3.340 20 10 CGCDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000876891028 634922527 /nfs/dbraw/zinc/92/25/27/634922527.db2.gz OKMBFRKEZIJJMA-QGZVFWFLSA-N 1 0 296.414 3.065 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CCC[C@@H]2CCO2)cc1 ZINC000876945167 634933379 /nfs/dbraw/zinc/93/33/79/634933379.db2.gz VARAYJHBNSRAHH-QGZVFWFLSA-N 1 0 276.424 3.192 20 10 CGCDRO CCc1nc(CC[NH2+]Cc2ccc(C)cc2O)cs1 ZINC000876996772 634946666 /nfs/dbraw/zinc/94/66/66/634946666.db2.gz DEOZESHBCWTGAQ-UHFFFAOYSA-N 1 0 276.405 3.052 20 10 CGCDRO Cc1ccc(C[NH2+]C2(c3ccccc3)CCOCC2)c(O)c1 ZINC000877042847 634961933 /nfs/dbraw/zinc/96/19/33/634961933.db2.gz ZOTJZNJOMUWKRP-UHFFFAOYSA-N 1 0 297.398 3.496 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]CCCSc2nccs2)CS1 ZINC000877062183 634967443 /nfs/dbraw/zinc/96/74/43/634967443.db2.gz ZWOLNAAZOUEPNZ-ZJUUUORDSA-N 1 0 274.480 3.109 20 10 CGCDRO CCC1([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCC1 ZINC000877080840 634976547 /nfs/dbraw/zinc/97/65/47/634976547.db2.gz WFOCJYCRMGKBNH-UHFFFAOYSA-N 1 0 288.435 3.070 20 10 CGCDRO COc1cc(F)cc(C[NH2+]Cc2c(C)cccc2O)c1 ZINC000877120215 634990402 /nfs/dbraw/zinc/99/04/02/634990402.db2.gz PSJBZMUGGWWGKE-UHFFFAOYSA-N 1 0 275.323 3.138 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc(OC)nc1)c1ccc(N(C)C)cc1 ZINC000126417523 635015846 /nfs/dbraw/zinc/01/58/46/635015846.db2.gz ZWWDDUPQWJQKTO-QGZVFWFLSA-N 1 0 299.418 3.397 20 10 CGCDRO Cc1ccc(C[NH2+]C(C)(C)c2ccc(C)nc2)c(O)c1 ZINC000877349948 635029837 /nfs/dbraw/zinc/02/98/37/635029837.db2.gz PQIHZQRBMUTJPW-UHFFFAOYSA-N 1 0 270.376 3.429 20 10 CGCDRO Cc1ccc2c(c1)nc(C[NH2+]Cc1ccc(C)cc1O)n2C ZINC000877399236 635034556 /nfs/dbraw/zinc/03/45/56/635034556.db2.gz KYOGQHZTBDFTIR-UHFFFAOYSA-N 1 0 295.386 3.186 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2C[C@@H](OC(C)C)C2)c1 ZINC000840764781 635049344 /nfs/dbraw/zinc/04/93/44/635049344.db2.gz SMWIVDXFKXADIO-MELADBBJSA-N 1 0 263.381 3.307 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCS[C@H](C)CC1 ZINC000877476151 635051577 /nfs/dbraw/zinc/05/15/77/635051577.db2.gz WQXQLUPFGGNLJK-GFCCVEGCSA-N 1 0 251.395 3.028 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)c2ccn(C)n2)c1O ZINC000840815894 635057981 /nfs/dbraw/zinc/05/79/81/635057981.db2.gz QQLAVYFFXPSXKZ-WDEREUQCSA-N 1 0 293.798 3.499 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+](C)Cc1cnc(C(C)C)nc1 ZINC000877500063 635062303 /nfs/dbraw/zinc/06/23/03/635062303.db2.gz YJFXNGIADNVQOX-UHFFFAOYSA-N 1 0 285.391 3.246 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCOC(C)(C)C)c(Cl)c1 ZINC000840886642 635075389 /nfs/dbraw/zinc/07/53/89/635075389.db2.gz KHAAWLYZNWWTQM-UHFFFAOYSA-N 1 0 271.788 3.259 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(C)cc2O)c1 ZINC000877533058 635076013 /nfs/dbraw/zinc/07/60/13/635076013.db2.gz KIYMDCLRSOPHHX-LBPRGKRZSA-N 1 0 287.359 3.266 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@H](C)C1CC1 ZINC000840890537 635076283 /nfs/dbraw/zinc/07/62/83/635076283.db2.gz AICSRVMACAZADT-ZIAGYGMSSA-N 1 0 260.425 3.380 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](CO)C2)c2c1c(F)ccc2O ZINC000840894987 635077828 /nfs/dbraw/zinc/07/78/28/635077828.db2.gz GPYDQUXRCPYGLQ-UHXUPSOCSA-N 1 0 293.382 3.220 20 10 CGCDRO CO[C@@H](C[NH2+]Cc1c(O)cc(C)cc1Cl)C(C)C ZINC000840901522 635078971 /nfs/dbraw/zinc/07/89/71/635078971.db2.gz KFYBJINXNZRILI-AWEZNQCLSA-N 1 0 271.788 3.115 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCC(F)(F)F)c(Cl)c1 ZINC000840901468 635079141 /nfs/dbraw/zinc/07/91/41/635079141.db2.gz JVDLMKOKVHYMOL-UHFFFAOYSA-N 1 0 267.678 3.396 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@H+](C)Cc1cccc(O)c1 ZINC000840907090 635080209 /nfs/dbraw/zinc/08/02/09/635080209.db2.gz ADVHMXZNWIXBIO-UHFFFAOYSA-N 1 0 284.403 3.399 20 10 CGCDRO Cc1ncc(C[N@@H+](C)Cc2ccc(N(C)C)cc2C)s1 ZINC000840910761 635080274 /nfs/dbraw/zinc/08/02/74/635080274.db2.gz LHLSYGVCKRPBST-UHFFFAOYSA-N 1 0 289.448 3.458 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000877542141 635080540 /nfs/dbraw/zinc/08/05/40/635080540.db2.gz WNBZUWUUQQPQAS-DLBZAZTESA-N 1 0 287.403 3.234 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)Cc1cccc(O)c1 ZINC000840932442 635084902 /nfs/dbraw/zinc/08/49/02/635084902.db2.gz QSXVBRMRQRMPEL-OAHLLOKOSA-N 1 0 298.430 3.487 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCOC1CCCC1 ZINC000840933328 635085015 /nfs/dbraw/zinc/08/50/15/635085015.db2.gz NDIFFZKTHNMKDD-UHFFFAOYSA-N 1 0 276.424 3.110 20 10 CGCDRO CS[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840936844 635085889 /nfs/dbraw/zinc/08/58/89/635085889.db2.gz GVYKTAIRJNLEKC-LSDHHAIUSA-N 1 0 264.438 3.045 20 10 CGCDRO CCOC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C)C(C)C ZINC000840942167 635088751 /nfs/dbraw/zinc/08/87/51/635088751.db2.gz UQPPHKXEVYAJEH-QGZVFWFLSA-N 1 0 278.440 3.212 20 10 CGCDRO CCOC1(C)CC[NH+](Cc2ccc(N(C)C)cc2C)CC1 ZINC000840947214 635089260 /nfs/dbraw/zinc/08/92/60/635089260.db2.gz DYLFGAQCJRQXKW-UHFFFAOYSA-N 1 0 290.451 3.452 20 10 CGCDRO COCC[C@H](C)C[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840955766 635093054 /nfs/dbraw/zinc/09/30/54/635093054.db2.gz WVAIPCBEPJTJTM-JTQLQIEISA-N 1 0 271.788 3.116 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]C[C@@]1(C)CC1(Cl)Cl ZINC000877564712 635093084 /nfs/dbraw/zinc/09/30/84/635093084.db2.gz JWBFUKBQQJJSPJ-GFCCVEGCSA-N 1 0 274.191 3.374 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@H](C)CCOC)cc1 ZINC000840955883 635093127 /nfs/dbraw/zinc/09/31/27/635093127.db2.gz ZNNUUONXTUPWSK-OAHLLOKOSA-N 1 0 278.440 3.295 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c(O)c1 ZINC000877564049 635093473 /nfs/dbraw/zinc/09/34/73/635093473.db2.gz WRXLQARGXFHYJZ-BRWVUGGUSA-N 1 0 289.419 3.216 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2F)cc1C ZINC000840961918 635094869 /nfs/dbraw/zinc/09/48/69/635094869.db2.gz GEYFQDNZFVMMBS-ZIAGYGMSSA-N 1 0 251.345 3.374 20 10 CGCDRO Cc1cccc(CNc2ccc([C@@H](C)[NH3+])cc2)c1O ZINC000841028071 635108078 /nfs/dbraw/zinc/10/80/78/635108078.db2.gz KSMIEILWDAYIKR-GFCCVEGCSA-N 1 0 256.349 3.332 20 10 CGCDRO Cc1ccc(C[NH+]2CC(C)(CC(F)F)C2)c(O)c1 ZINC000877606311 635108660 /nfs/dbraw/zinc/10/86/60/635108660.db2.gz WSHVAWNXCJXYBQ-UHFFFAOYSA-N 1 0 255.308 3.178 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@H](N)c2ccccc2)c(Cl)c1 ZINC000841036783 635111364 /nfs/dbraw/zinc/11/13/64/635111364.db2.gz MLOATJWDBSEIPT-HNNXBMFYSA-N 1 0 290.794 3.144 20 10 CGCDRO CCOc1ccc(O)c(CNc2ccccc2C[NH2+]C)c1 ZINC000841044277 635113453 /nfs/dbraw/zinc/11/34/53/635113453.db2.gz YNRNNKCCIKSAPX-UHFFFAOYSA-N 1 0 286.375 3.122 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]CC[C@]1(C)CC1(F)F ZINC000877629912 635121363 /nfs/dbraw/zinc/12/13/63/635121363.db2.gz CHQHAWMCBXOAOV-CYBMUJFWSA-N 1 0 255.308 3.226 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]CC[C@@]1(C)CC1(F)F ZINC000877629913 635121569 /nfs/dbraw/zinc/12/15/69/635121569.db2.gz CHQHAWMCBXOAOV-ZDUSSCGKSA-N 1 0 255.308 3.226 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCC[C@@](O)(c3ccccc3)C2)c(O)c1 ZINC000877653333 635133147 /nfs/dbraw/zinc/13/31/47/635133147.db2.gz HGRADEVHZYCTAZ-IBGZPJMESA-N 1 0 297.398 3.184 20 10 CGCDRO Oc1c(C[NH2+][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)ccc2ccccc21 ZINC000877683022 635144006 /nfs/dbraw/zinc/14/40/06/635144006.db2.gz SCWNCMDSIMDLNY-RFEVWBHWSA-N 1 0 295.382 3.058 20 10 CGCDRO Oc1c(C[NH2+][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)ccc2ccccc21 ZINC000877683019 635144347 /nfs/dbraw/zinc/14/43/47/635144347.db2.gz SCWNCMDSIMDLNY-OVLUMVCASA-N 1 0 295.382 3.058 20 10 CGCDRO C[C@H]([NH2+]Cc1cnn(C(C)(C)C)c1)c1ccccc1O ZINC000877757088 635185229 /nfs/dbraw/zinc/18/52/29/635185229.db2.gz FSAGCZONABKMST-LBPRGKRZSA-N 1 0 273.380 3.195 20 10 CGCDRO Cc1ccncc1CCC[NH2+][C@@H](C)c1ccccc1O ZINC000877757059 635185494 /nfs/dbraw/zinc/18/54/94/635185494.db2.gz DEZIXBQODSQTRC-AWEZNQCLSA-N 1 0 270.376 3.379 20 10 CGCDRO Cc1ncc([C@@H](C)[NH2+][C@@H](C)c2ccccc2O)c(C)n1 ZINC000877758383 635187206 /nfs/dbraw/zinc/18/72/06/635187206.db2.gz XFHVLEAVCITJPO-WDEREUQCSA-N 1 0 271.364 3.211 20 10 CGCDRO COC(=O)c1csc(C[NH2+][C@@H](C)c2ccccc2O)c1 ZINC000877758284 635187214 /nfs/dbraw/zinc/18/72/14/635187214.db2.gz QZPZSUACUVUAMP-JTQLQIEISA-N 1 0 291.372 3.091 20 10 CGCDRO CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])C1 ZINC000841744612 635222128 /nfs/dbraw/zinc/22/21/28/635222128.db2.gz JGMKXRJWXRLLHE-OLZOCXBDSA-N 1 0 296.842 3.428 20 10 CGCDRO C[C@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(Cl)cc1[O-] ZINC000841745315 635222345 /nfs/dbraw/zinc/22/23/45/635222345.db2.gz XLELZRDFHNQSSA-LBPRGKRZSA-N 1 0 282.815 3.182 20 10 CGCDRO Cc1cc(C[NH2+][C@@H](C)c2ccc(Cl)cc2O)on1 ZINC000841748056 635223873 /nfs/dbraw/zinc/22/38/73/635223873.db2.gz VRVDZQOSQUXVSR-VIFPVBQESA-N 1 0 266.728 3.193 20 10 CGCDRO CC(C)[C@H]([NH2+][C@H](C)c1ccc(Cl)cc1O)C(C)(C)O ZINC000841752351 635225456 /nfs/dbraw/zinc/22/54/56/635225456.db2.gz OQMXGBBSJAOPNE-YGRLFVJLSA-N 1 0 285.815 3.492 20 10 CGCDRO CCn1cc(C[NH2+][C@@H](C)c2ccc(Cl)cc2O)cn1 ZINC000841749802 635226076 /nfs/dbraw/zinc/22/60/76/635226076.db2.gz QQVFSRGOFZLEKD-JTQLQIEISA-N 1 0 279.771 3.113 20 10 CGCDRO CO[C@@H](C)[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841753834 635227275 /nfs/dbraw/zinc/22/72/75/635227275.db2.gz WZOUTKXPLUZUIV-GUBZILKMSA-N 1 0 257.761 3.120 20 10 CGCDRO CCn1ccc(C[NH2+][C@@H](C)c2ccc(Cl)cc2O)n1 ZINC000841755596 635229703 /nfs/dbraw/zinc/22/97/03/635229703.db2.gz KBJKAIIKYVWDHU-JTQLQIEISA-N 1 0 279.771 3.113 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H](CO)CC2CCCCC2)c1 ZINC000841893328 635248939 /nfs/dbraw/zinc/24/89/39/635248939.db2.gz ILCWFSDNTDQMAA-MRXNPFEDSA-N 1 0 277.408 3.122 20 10 CGCDRO CCOc1cccc(C[NH2+][C@H]2COCc3ccccc32)c1O ZINC000841891671 635249022 /nfs/dbraw/zinc/24/90/22/635249022.db2.gz SKFWGIAMYCSJHL-INIZCTEOSA-N 1 0 299.370 3.152 20 10 CGCDRO COc1ccc(N(CC[C@@H]2CC[NH2+]C2)[C@H](C)C2CC2)cc1 ZINC000842472131 635377343 /nfs/dbraw/zinc/37/73/43/635377343.db2.gz RXSKICFMTAUQER-CABCVRRESA-N 1 0 288.435 3.300 20 10 CGCDRO FC(F)Oc1ccc2c(c1)CCCN2CC[C@H]1CC[NH2+]C1 ZINC000842472381 635378148 /nfs/dbraw/zinc/37/81/48/635378148.db2.gz XNGGIZABPVPOAN-GFCCVEGCSA-N 1 0 296.361 3.040 20 10 CGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@H]1CCO[C@@H]1C ZINC000878150427 635379893 /nfs/dbraw/zinc/37/98/93/635379893.db2.gz DCHPKFQNWPQRKZ-ZIAGYGMSSA-N 1 0 263.381 3.029 20 10 CGCDRO C[C@H]1C[N@H+](Cc2cc3c(cc2O)CCC3)CC2(CCC2)O1 ZINC000842644679 635426195 /nfs/dbraw/zinc/42/61/95/635426195.db2.gz SSGJQTTXWBUHLU-ZDUSSCGKSA-N 1 0 287.403 3.024 20 10 CGCDRO CCCC[C@@](C)(CO)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000842750241 635459687 /nfs/dbraw/zinc/45/96/87/635459687.db2.gz XZRYDWFVFBXTTG-DVBCCOPCSA-N 1 0 290.451 3.297 20 10 CGCDRO CCOc1ccc(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)C2)c(O)c1 ZINC000842760997 635463033 /nfs/dbraw/zinc/46/30/33/635463033.db2.gz PGUNJMVZCCDTCS-OTVXOJSOSA-N 1 0 293.407 3.227 20 10 CGCDRO CC[C@H](C)C[C@H](CO)[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000842917618 635512018 /nfs/dbraw/zinc/51/20/18/635512018.db2.gz QRNIRDJFLKHBKI-FPMFFAJLSA-N 1 0 265.397 3.148 20 10 CGCDRO CC[C@H](C)C[C@H](CO)[NH2+][C@@H](CC)c1ccccc1O ZINC000842918916 635512062 /nfs/dbraw/zinc/51/20/62/635512062.db2.gz VIKGPHUQFKOLAI-GUTXKFCHSA-N 1 0 265.397 3.230 20 10 CGCDRO [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000843045227 635550484 /nfs/dbraw/zinc/55/04/84/635550484.db2.gz QEMNIFQEERHYQP-DOMZBBRYSA-N 1 0 294.826 3.010 20 10 CGCDRO c1cc(N2CCCC2)ccc1CN[C@@H]1CC[NH2+]C12CCCC2 ZINC000843129706 635563841 /nfs/dbraw/zinc/56/38/41/635563841.db2.gz YATKPUZAGCKSOE-GOSISDBHSA-N 1 0 299.462 3.051 20 10 CGCDRO CCC[N@H+](Cc1cccc(N)c1)Cc1ccccc1O ZINC000843358724 635653444 /nfs/dbraw/zinc/65/34/44/635653444.db2.gz ZBDACVWAVKYJDC-UHFFFAOYSA-N 1 0 270.376 3.387 20 10 CGCDRO CC(C)O[C@@H]1CC[N@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000843412982 635661760 /nfs/dbraw/zinc/66/17/60/635661760.db2.gz CPDQTFDMGQFIJL-OOFWQKGWSA-N 1 0 288.435 3.265 20 10 CGCDRO CC[C@H](C)C[C@H](CO)[NH2+]Cc1ccc2ccccc2c1O ZINC000843427941 635671128 /nfs/dbraw/zinc/67/11/28/635671128.db2.gz WUYCROFCSWIKKF-XJKSGUPXSA-N 1 0 287.403 3.432 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)cc1C ZINC000844757637 635959271 /nfs/dbraw/zinc/95/92/71/635959271.db2.gz FUEOPXKTADYUAT-CQSZACIVSA-N 1 0 267.319 3.240 20 10 CGCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@]3(CC3(F)F)C1)CCC2 ZINC000844760346 635959660 /nfs/dbraw/zinc/95/96/60/635959660.db2.gz QGUDTHHNBXKXDL-OAHLLOKOSA-N 1 0 279.330 3.112 20 10 CGCDRO CN(C)c1ccc(C[NH+]2CCC3(CCCCO3)CC2)cc1 ZINC000880458655 636004115 /nfs/dbraw/zinc/00/41/15/636004115.db2.gz ZYRWFSRBSBAICW-UHFFFAOYSA-N 1 0 288.435 3.288 20 10 CGCDRO CCC[C@H](C)[C@@H](CO)[NH2+][C@H](CC)c1ccccc1O ZINC000846012779 636129071 /nfs/dbraw/zinc/12/90/71/636129071.db2.gz DLJNDDZGHXGMOE-NWANDNLSSA-N 1 0 265.397 3.230 20 10 CGCDRO CC[N@H+](Cc1cc(C)c(C)cc1O)[C@@H]1CCCOC1 ZINC000846053168 636139313 /nfs/dbraw/zinc/13/93/13/636139313.db2.gz SRUFMHSFGLAWBO-OAHLLOKOSA-N 1 0 263.381 3.010 20 10 CGCDRO C[C@@H](COCC1CC1)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000846073726 636141685 /nfs/dbraw/zinc/14/16/85/636141685.db2.gz QGVWTYXZEOZNFB-XVWMLYKFSA-N 1 0 288.435 3.171 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)Cc2ccco2)c1O ZINC000846139567 636148575 /nfs/dbraw/zinc/14/85/75/636148575.db2.gz VYUXUNOPLFHPTE-RYUDHWBXSA-N 1 0 275.348 3.276 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@]2(C)CCCS2)c1O ZINC000846144353 636149217 /nfs/dbraw/zinc/14/92/17/636149217.db2.gz CKPWLYRMEFQLNT-NHYWBVRUSA-N 1 0 281.421 3.337 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]C[C@H]2Cc3ccccc32)c1O ZINC000846143270 636149432 /nfs/dbraw/zinc/14/94/32/636149432.db2.gz DCVZHWVFOGPIFC-TZMCWYRMSA-N 1 0 283.371 3.391 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+][C@H]2COc3ccc(C)cc32)c1O ZINC000846153082 636150341 /nfs/dbraw/zinc/15/03/41/636150341.db2.gz FPBYARRRCYRUMU-DOMZBBRYSA-N 1 0 299.370 3.494 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)CC(F)(F)F)c1O ZINC000846164196 636150983 /nfs/dbraw/zinc/15/09/83/636150983.db2.gz NCMOBYIJHFLDRH-DTWKUNHWSA-N 1 0 277.286 3.392 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H]2CCC(C)(C)O2)c1O ZINC000846166437 636152107 /nfs/dbraw/zinc/15/21/07/636152107.db2.gz ZDWATEBLMWSNFO-NEPJUHHUSA-N 1 0 279.380 3.009 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]CCC[C@H]2CCCCO2)c1O ZINC000846166688 636152244 /nfs/dbraw/zinc/15/22/44/636152244.db2.gz ZQSZDXSMZSUCBN-UONOGXRCSA-N 1 0 293.407 3.401 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]Cc2occc2C)c1O ZINC000846171559 636152837 /nfs/dbraw/zinc/15/28/37/636152837.db2.gz UMNTZRIPHBLWHG-NSHDSACASA-N 1 0 261.321 3.153 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[C@H]3C2)c1O ZINC000846171026 636152992 /nfs/dbraw/zinc/15/29/92/636152992.db2.gz CNDFFYJKGXXPGE-ZDEQEGDKSA-N 1 0 261.365 3.240 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)C2(OC)CCC2)c1O ZINC000846171049 636153162 /nfs/dbraw/zinc/15/31/62/636153162.db2.gz CTEKLTUPAKBEBC-NEPJUHHUSA-N 1 0 279.380 3.009 20 10 CGCDRO C[C@H]([NH2+][C@@H](C1CC1)C1CCOCC1)c1ccccc1O ZINC000846188487 636156519 /nfs/dbraw/zinc/15/65/19/636156519.db2.gz POUTXDQLGKTILX-SJCJKPOMSA-N 1 0 275.392 3.248 20 10 CGCDRO CCOc1cccc(C[NH2+]CC(CC)CC)c1O ZINC000106480003 636219118 /nfs/dbraw/zinc/21/91/18/636219118.db2.gz QQWPNPLMLYPCNH-UHFFFAOYSA-N 1 0 251.370 3.317 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccn(C)n1)c1ccc2ccccc2c1O ZINC000212215788 636311309 /nfs/dbraw/zinc/31/13/09/636311309.db2.gz PWIZIOBGUIRQAG-GFCCVEGCSA-N 1 0 281.359 3.130 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000129964867 636401748 /nfs/dbraw/zinc/40/17/48/636401748.db2.gz KTYYERZAHJMPLP-LLVKDONJSA-N 1 0 281.783 3.047 20 10 CGCDRO CCC[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000131071177 636551427 /nfs/dbraw/zinc/55/14/27/636551427.db2.gz FCABHPXVKWBDDV-CABCVRRESA-N 1 0 276.424 3.362 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2cncnc2C)cc1 ZINC000848520789 636586707 /nfs/dbraw/zinc/58/67/07/636586707.db2.gz KJCHJMBGTYMGAG-AWEZNQCLSA-N 1 0 298.434 3.482 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)c1cncnc1C ZINC000848530654 636590832 /nfs/dbraw/zinc/59/08/32/636590832.db2.gz JDWMSCDXERGCQP-ZDUSSCGKSA-N 1 0 284.407 3.010 20 10 CGCDRO CC(C)[C@@H](C[NH2+]Cc1ccccc1O)C(=O)OC(C)(C)C ZINC000848566201 636609111 /nfs/dbraw/zinc/60/91/11/636609111.db2.gz SDFYOZVNXJVMJU-CQSZACIVSA-N 1 0 293.407 3.096 20 10 CGCDRO C[C@@H](C[NH2+]Cc1c(O)cccc1Cl)C(=O)OC(C)(C)C ZINC000848566354 636609482 /nfs/dbraw/zinc/60/94/82/636609482.db2.gz VVQMCOIIMPDGRP-JTQLQIEISA-N 1 0 299.798 3.113 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H]2C[C@H](OC(C)(C)C)C2)cc1C ZINC000848567901 636610545 /nfs/dbraw/zinc/61/05/45/636610545.db2.gz SJNGNXADDPMZFB-SHTZXODSSA-N 1 0 277.408 3.445 20 10 CGCDRO CN1CCCc2cc(C[NH2+][C@H]3CCCSC3)ccc21 ZINC000131309050 636617228 /nfs/dbraw/zinc/61/72/28/636617228.db2.gz UENQUTDFOXELJA-HNNXBMFYSA-N 1 0 276.449 3.054 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]C[C@H]2CCC(C)(C)CO2)c1O ZINC000883249619 636620906 /nfs/dbraw/zinc/62/09/06/636620906.db2.gz MIRFIPMMHBQQAT-CHWSQXEVSA-N 1 0 293.407 3.257 20 10 CGCDRO C=C/C=C/CC[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000883259910 636629917 /nfs/dbraw/zinc/62/99/17/636629917.db2.gz DMPJADKZBUANJC-SNAWJCMRSA-N 1 0 286.419 3.386 20 10 CGCDRO COC[C@H]1C[C@@H]([NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)C1 ZINC000883319565 636670440 /nfs/dbraw/zinc/67/04/40/636670440.db2.gz HPDPRVZPUOZVBO-HNCHTBHHSA-N 1 0 279.355 3.094 20 10 CGCDRO CCc1cccc(C[N@H+](C)Cc2ccc(C)o2)c1O ZINC000848880973 636670829 /nfs/dbraw/zinc/67/08/29/636670829.db2.gz VGWSVUMBFVPDSK-UHFFFAOYSA-N 1 0 259.349 3.488 20 10 CGCDRO CCc1cccc(C[N@H+](C)CCc2nccs2)c1O ZINC000848889630 636678007 /nfs/dbraw/zinc/67/80/07/636678007.db2.gz NSKZCAHYVLRBSR-UHFFFAOYSA-N 1 0 276.405 3.086 20 10 CGCDRO CCc1cccc(C[NH2+]Cc2cn3ccc(C)cc3n2)c1O ZINC000848894928 636679041 /nfs/dbraw/zinc/67/90/41/636679041.db2.gz HVPIAGFCSVNITE-UHFFFAOYSA-N 1 0 295.386 3.201 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@@H](CCO)c2ccccc2)c1O ZINC000848896537 636679680 /nfs/dbraw/zinc/67/96/80/636679680.db2.gz CGUQRXCPNMHCDJ-QGZVFWFLSA-N 1 0 299.414 3.210 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H]2CN(C)Cc3ccccc32)c1O ZINC000848901189 636681734 /nfs/dbraw/zinc/68/17/34/636681734.db2.gz WIBPBGHUOGZSQF-GOSISDBHSA-N 1 0 296.414 3.231 20 10 CGCDRO CCc1cccc(C[NH2+]CCC[C@H]2CCCC[C@@H]2O)c1O ZINC000848899687 636681873 /nfs/dbraw/zinc/68/18/73/636681873.db2.gz SDRHNCFAIIIPPE-WBVHZDCISA-N 1 0 291.435 3.376 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@H]2CCCCN2C2CC2)c1O ZINC000848906999 636685656 /nfs/dbraw/zinc/68/56/56/636685656.db2.gz GITDIDBMPXWFIZ-QGZVFWFLSA-N 1 0 288.435 3.061 20 10 CGCDRO CCc1cccc(C[N@@H+]2C[C@@H](N3CCCC3)C[C@H]2C)c1O ZINC000848909879 636686168 /nfs/dbraw/zinc/68/61/68/636686168.db2.gz BYVOYNBBQOJHJA-PBHICJAKSA-N 1 0 288.435 3.013 20 10 CGCDRO CCc1cccc(C[NH2+][C@H](C)c2c(F)cncc2F)c1O ZINC000848910487 636686243 /nfs/dbraw/zinc/68/62/43/636686243.db2.gz KBVOJYSHZSBOMR-SNVBAGLBSA-N 1 0 292.329 3.479 20 10 CGCDRO CCc1cccc(C[NH2+]Cc2cccc(C(=O)OC)c2)c1O ZINC000848910099 636686483 /nfs/dbraw/zinc/68/64/83/636686483.db2.gz FKYUWEXNCYJSHQ-UHFFFAOYSA-N 1 0 299.370 3.031 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCCC[C@@H]2c2cc[nH]n2)c1O ZINC000848910319 636686591 /nfs/dbraw/zinc/68/65/91/636686591.db2.gz IUIPHKYTOFUDDN-MRXNPFEDSA-N 1 0 285.391 3.405 20 10 CGCDRO CCc1nocc1C[N@H+](C)Cc1cccc(CC)c1O ZINC000848914733 636689113 /nfs/dbraw/zinc/68/91/13/636689113.db2.gz RULHWGXIEYCTRX-UHFFFAOYSA-N 1 0 274.364 3.137 20 10 CGCDRO CCc1ccc(NC(=[NH2+])NCc2ccccc2O)cc1 ZINC000849057992 636735281 /nfs/dbraw/zinc/73/52/81/636735281.db2.gz ITOSNSOIFMRODE-UHFFFAOYSA-N 1 0 269.348 3.091 20 10 CGCDRO CC[C@H]([NH2+]CCOCC(F)(F)F)c1ccccc1O ZINC000108942944 636894697 /nfs/dbraw/zinc/89/46/97/636894697.db2.gz APDGSFCPFIKTKU-NSHDSACASA-N 1 0 277.286 3.012 20 10 CGCDRO OC[C@H]([NH2+]Cc1cc(-c2ccccc2)ccc1O)C1CCC1 ZINC000850349206 637022705 /nfs/dbraw/zinc/02/27/05/637022705.db2.gz AEYCYBSQIBUAIP-SFHVURJKSA-N 1 0 297.398 3.310 20 10 CGCDRO CCC[C@@H](C)C[NH2+][C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850347831 637022804 /nfs/dbraw/zinc/02/28/04/637022804.db2.gz YMJCXGSWMKDZAI-CABCVRRESA-N 1 0 276.424 3.300 20 10 CGCDRO C[C@H]([NH2+]Cc1cc(-c2ccccc2)ccc1O)C1(CO)CC1 ZINC000850361193 637029061 /nfs/dbraw/zinc/02/90/61/637029061.db2.gz OPWGPCKHWRVOIR-AWEZNQCLSA-N 1 0 297.398 3.310 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@H]2C[C@H](O)c3ccccc32)cc1 ZINC000850370836 637034191 /nfs/dbraw/zinc/03/41/91/637034191.db2.gz TUQRTVKQCSCWGA-ROUUACIJSA-N 1 0 282.387 3.021 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H]2CCN(C3CCCCC3)C2)c1 ZINC000850381391 637040908 /nfs/dbraw/zinc/04/09/08/637040908.db2.gz DCKKVABTAPRMAH-INIZCTEOSA-N 1 0 288.435 3.197 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@@](C)(CC)C2CC2)c1 ZINC000850384404 637041819 /nfs/dbraw/zinc/04/18/19/637041819.db2.gz VMXNJKWQBQKHJY-INIZCTEOSA-N 1 0 263.381 3.459 20 10 CGCDRO CCOc1ccc(C[NH2+][C@H]2CCc3ccc(O)cc32)c(O)c1 ZINC000850385542 637041863 /nfs/dbraw/zinc/04/18/63/637041863.db2.gz AITOXAQMFQKVGC-KRWDZBQOSA-N 1 0 299.370 3.274 20 10 CGCDRO CC(C)[C@H](O)[C@H]([NH2+]Cc1ccccc1O)c1ccccc1 ZINC000850394868 637046649 /nfs/dbraw/zinc/04/66/49/637046649.db2.gz HEZRCAKKVWQOFP-MSOLQXFVSA-N 1 0 285.387 3.240 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]C[C@H](OC)C2CCCC2)c1 ZINC000850400273 637048982 /nfs/dbraw/zinc/04/89/82/637048982.db2.gz DMOPAMMZZKUNGM-KRWDZBQOSA-N 1 0 293.407 3.086 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CCCc2ccco2)cc1 ZINC000850407685 637050444 /nfs/dbraw/zinc/05/04/44/637050444.db2.gz NMQKYHQNVMDBSY-UHFFFAOYSA-N 1 0 258.365 3.068 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@H](O)[C@@H](C)c2ccccc2)cc1C ZINC000850412278 637053071 /nfs/dbraw/zinc/05/30/71/637053071.db2.gz VMCAIHKQMMVEGK-KXBFYZLASA-N 1 0 299.414 3.263 20 10 CGCDRO COc1cccc(C[NH2+]Cc2ccc(N(C)C)cc2)c1C ZINC000850416170 637054266 /nfs/dbraw/zinc/05/42/66/637054266.db2.gz CMUBMWSUXNMLIV-UHFFFAOYSA-N 1 0 284.403 3.359 20 10 CGCDRO CCO[C@H]1C[C@H]([NH2+][C@H](C)c2cc(Cl)ccc2O)C1 ZINC000850515434 637099271 /nfs/dbraw/zinc/09/92/71/637099271.db2.gz XXOLEKGLTONNFV-YUSALJHKSA-N 1 0 269.772 3.264 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCO[C@@H]2CC2(F)F)c(O)c1C ZINC000850521427 637101013 /nfs/dbraw/zinc/10/10/13/637101013.db2.gz VHNPNADCKHDMDF-WCQYABFASA-N 1 0 285.334 3.084 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]CCCOC(C)(C)C)c1O ZINC000850524173 637103228 /nfs/dbraw/zinc/10/32/28/637103228.db2.gz ALZDJPKHWICCSS-LBPRGKRZSA-N 1 0 281.396 3.257 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2COC3(CCC3)C2)c(O)c1C ZINC000850524715 637104385 /nfs/dbraw/zinc/10/43/85/637104385.db2.gz HRYWVPPIOPJTDK-UONOGXRCSA-N 1 0 275.392 3.371 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]CCC(C)(C)F)c1O ZINC000850531257 637108463 /nfs/dbraw/zinc/10/84/63/637108463.db2.gz HXSPZIVDRFFYNP-SNVBAGLBSA-N 1 0 255.333 3.190 20 10 CGCDRO C[C@@]1(CC[NH2+][C@H]2CCc3cccc(O)c32)CC1(F)F ZINC000850535980 637112448 /nfs/dbraw/zinc/11/24/48/637112448.db2.gz GARCGAUFZMNNAA-SMDDNHRTSA-N 1 0 267.319 3.405 20 10 CGCDRO Oc1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3cccc(O)c31)CC2 ZINC000850542664 637114656 /nfs/dbraw/zinc/11/46/56/637114656.db2.gz SYIDYFNDQQRTSO-CVEARBPZSA-N 1 0 281.355 3.362 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCc3ccc(O)cc32)c1O ZINC000850542842 637114853 /nfs/dbraw/zinc/11/48/53/637114853.db2.gz USBZUWRCPPOKHD-MEDUHNTESA-N 1 0 299.370 3.445 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2C[C@@H](O)C23CCC3)c1O ZINC000850545396 637116746 /nfs/dbraw/zinc/11/67/46/637116746.db2.gz GSSCTYUCHRZDNC-ZLKJLUDKSA-N 1 0 295.810 3.308 20 10 CGCDRO CCCN1CC[C@H]([NH2+][C@@H](C)c2ccc(Cl)cc2O)C1 ZINC000850554416 637119921 /nfs/dbraw/zinc/11/99/21/637119921.db2.gz JJEIGYMCCYREAI-AAEUAGOBSA-N 1 0 282.815 3.181 20 10 CGCDRO CCCN1CC[C@@H]([NH2+][C@@H](C)c2c(C)cc(C)cc2O)C1 ZINC000850554312 637120766 /nfs/dbraw/zinc/12/07/66/637120766.db2.gz IYNIPLGLAGDFHV-LSDHHAIUSA-N 1 0 276.424 3.144 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCOC2(C)C)c2c1c(F)ccc2O ZINC000850571196 637128933 /nfs/dbraw/zinc/12/89/33/637128933.db2.gz OODCZPLIZNVHJV-NQBHXWOUSA-N 1 0 293.382 3.484 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC[C@@H](OC)CC2)c1 ZINC000886153652 637438989 /nfs/dbraw/zinc/43/89/89/637438989.db2.gz MMVWLFWVJRLSKX-BFHYXJOUSA-N 1 0 293.407 3.399 20 10 CGCDRO CCC[N@H+](Cc1ccccc1O)[C@@H]1CC[C@@H](OC)C1 ZINC000851793048 637505742 /nfs/dbraw/zinc/50/57/42/637505742.db2.gz VUIGTHLCOAMFET-HUUCEWRRSA-N 1 0 263.381 3.172 20 10 CGCDRO CCC[N@H+](Cc1nc(C)oc1C)Cc1ccccc1O ZINC000851791931 637505763 /nfs/dbraw/zinc/50/57/63/637505763.db2.gz JGGCELJMDHSHOU-UHFFFAOYSA-N 1 0 274.364 3.409 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]Cc2cc(C3CC3)no2)c(O)c1 ZINC000886684162 637650980 /nfs/dbraw/zinc/65/09/80/637650980.db2.gz GJEYKSOCTSVATK-NSHDSACASA-N 1 0 272.348 3.417 20 10 CGCDRO C[C@H]1C[C@H]([NH2+]CC[C@H]2CCCO2)c2c1c(F)ccc2O ZINC000886727388 637675108 /nfs/dbraw/zinc/67/51/08/637675108.db2.gz ZQRQINFIMLENNS-LOWVWBTDSA-N 1 0 279.355 3.238 20 10 CGCDRO CO[C@@H]1C[N@H+](Cc2c(O)ccc3ccccc32)CC[C@@H]1C ZINC000220977597 637716877 /nfs/dbraw/zinc/71/68/77/637716877.db2.gz OUNYXWFBDMXBGU-SCLBCKFNSA-N 1 0 285.387 3.402 20 10 CGCDRO CCn1nccc1C[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000853240265 637791709 /nfs/dbraw/zinc/79/17/09/637791709.db2.gz OHFSNGQSFHPQJE-GWCFXTLKSA-N 1 0 289.354 3.086 20 10 CGCDRO CCCC(C)(C)[NH2+]Cc1cc(OCC)ccc1O ZINC000111387213 637859724 /nfs/dbraw/zinc/85/97/24/637859724.db2.gz SZCBXPVKEBDCIO-UHFFFAOYSA-N 1 0 251.370 3.459 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2C[C@H]3COC[C@]3(C)C2)cc1C(C)C ZINC000853566101 637867675 /nfs/dbraw/zinc/86/76/75/637867675.db2.gz LSQCUVNGKBPIQK-YJBOKZPZSA-N 1 0 289.419 3.292 20 10 CGCDRO Oc1ccc2ccccc2c1C[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000853578265 637868678 /nfs/dbraw/zinc/86/86/78/637868678.db2.gz JOUDLNAJJJNBHG-ZIAGYGMSSA-N 1 0 253.345 3.387 20 10 CGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H](C3CCC3)C1)OCO2 ZINC000853590068 637870284 /nfs/dbraw/zinc/87/02/84/637870284.db2.gz QNZUEYGDZOEONF-ZDUSSCGKSA-N 1 0 289.375 3.133 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)cc1C(C)C ZINC000853585616 637870390 /nfs/dbraw/zinc/87/03/90/637870390.db2.gz HSFKYWRXAKVSOE-HOCLYGCPSA-N 1 0 289.419 3.292 20 10 CGCDRO C[C@H]1COC[C@H](C)C1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000924650530 638384129 /nfs/dbraw/zinc/38/41/29/638384129.db2.gz ZAMYQALEOHUIIG-GJZGRUSLSA-N 1 0 288.435 3.047 20 10 CGCDRO CN(C)c1c(C[NH2+]Cc2ccccc2O)ccc(F)c1F ZINC000858120784 638637021 /nfs/dbraw/zinc/63/70/21/638637021.db2.gz MEKOYWIFBOGYIW-UHFFFAOYSA-N 1 0 292.329 3.026 20 10 CGCDRO COC1(CC[NH2+]Cc2cc(F)c(N(C)C)cc2F)CCC1 ZINC000858168688 638648119 /nfs/dbraw/zinc/64/81/19/638648119.db2.gz CAAHOGRYPFNQBY-UHFFFAOYSA-N 1 0 298.377 3.080 20 10 CGCDRO Cc1cccc2c1C[C@@H]([NH2+][C@H]1CCc3cccc(O)c31)CO2 ZINC000858459361 638724938 /nfs/dbraw/zinc/72/49/38/638724938.db2.gz CZTFCISHCXQQKO-ZBFHGGJFSA-N 1 0 295.382 3.281 20 10 CGCDRO CC[C@@H]([NH2+][C@H]1CC=C(C(=O)OC)C1)c1ccc(C)cc1O ZINC000858474825 638731215 /nfs/dbraw/zinc/73/12/15/638731215.db2.gz UVAGLAFDPNDOCT-DZGCQCFKSA-N 1 0 289.375 3.003 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1cc(Cl)ccc1O ZINC000926935841 638827264 /nfs/dbraw/zinc/82/72/64/638827264.db2.gz HOOYAYPAVCFXPU-FMSGJZPZSA-N 1 0 293.794 3.287 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]CCC2CC=CC2)c1O ZINC000926950171 638828694 /nfs/dbraw/zinc/82/86/94/638828694.db2.gz NVVVFFKLBRXWNA-GFCCVEGCSA-N 1 0 261.365 3.408 20 10 CGCDRO C[C@@H]([NH2+]CCc1cccc2c1OCCO2)c1ccccc1O ZINC000927090723 638840511 /nfs/dbraw/zinc/84/05/11/638840511.db2.gz CFQMSPUPJQMTID-CYBMUJFWSA-N 1 0 299.370 3.057 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@]23C[C@H]2CCC3)c1O ZINC000927120180 638844949 /nfs/dbraw/zinc/84/49/49/638844949.db2.gz CGXAASLHHRUQTE-OZVIIMIRSA-N 1 0 261.365 3.242 20 10 CGCDRO CCC[N@H+](CCc1ccns1)Cc1ccccc1O ZINC000929752684 638947060 /nfs/dbraw/zinc/94/70/60/638947060.db2.gz DHXLMRRDQIFJOP-UHFFFAOYSA-N 1 0 276.405 3.303 20 10 CGCDRO CC[C@H]([NH2+]CCOC1CCSCC1)c1ccccc1O ZINC000930219676 638983713 /nfs/dbraw/zinc/98/37/13/638983713.db2.gz BKZPCRPTDGNJDX-HNNXBMFYSA-N 1 0 295.448 3.345 20 10 CGCDRO COC(=O)[C@H]1CCCC[C@@H]1C[NH2+][C@@H](C)c1ccccc1O ZINC000931555216 639169820 /nfs/dbraw/zinc/16/98/20/639169820.db2.gz VGHVPAZMWAPIJR-GUTXKFCHSA-N 1 0 291.391 3.022 20 10 CGCDRO C[C@@H]([NH2+]CCSc1ccncc1)c1ccccc1O ZINC000931554750 639170280 /nfs/dbraw/zinc/17/02/80/639170280.db2.gz RNIVDQUYBOEDLQ-GFCCVEGCSA-N 1 0 274.389 3.230 20 10 CGCDRO C[C@H]1CSCCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000934299913 639575794 /nfs/dbraw/zinc/57/57/94/639575794.db2.gz XXPSWCMQSKRCRZ-ZDUSSCGKSA-N 1 0 264.438 3.080 20 10 CGCDRO CC[C@@H]([NH2+]Cc1csc(C)n1)c1ccccc1O ZINC000041010388 639898107 /nfs/dbraw/zinc/89/81/07/639898107.db2.gz DRULYILHJDGAFA-CYBMUJFWSA-N 1 0 262.378 3.398 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCOc2ccccc2)c(O)c1 ZINC000042895161 639922275 /nfs/dbraw/zinc/92/22/75/639922275.db2.gz NUNPPHXVUGAYCR-CQSZACIVSA-N 1 0 271.360 3.430 20 10 CGCDRO COc1ccc(C[NH2+][C@H](C)CC(F)(F)F)cc1C ZINC000155417021 639933840 /nfs/dbraw/zinc/93/38/40/639933840.db2.gz NOXURRASZFOQCH-SNVBAGLBSA-N 1 0 261.287 3.434 20 10 CGCDRO CCC[NH+](CCC)Cc1cc(OC)c(C)cc1O ZINC000159660698 640059203 /nfs/dbraw/zinc/05/92/03/640059203.db2.gz AIDQLDBKGJQEQV-UHFFFAOYSA-N 1 0 251.370 3.331 20 10 CGCDRO Oc1ccc2ccccc2c1C[NH+]1CCSCC1 ZINC000048621350 640063371 /nfs/dbraw/zinc/06/33/71/640063371.db2.gz LFUKBZVBQCAXDP-UHFFFAOYSA-N 1 0 259.374 3.094 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)C[C@@H]2CCCO2)cc1 ZINC000159827917 640072269 /nfs/dbraw/zinc/07/22/69/640072269.db2.gz SKBZRQKCTOYMQG-KRWDZBQOSA-N 1 0 276.424 3.144 20 10 CGCDRO Cc1cccc(C[N@H+]2CCC[C@]2(CO)CC(C)C)c1O ZINC000188037703 640116126 /nfs/dbraw/zinc/11/61/26/640116126.db2.gz OOJYJCSIFLDLEN-QGZVFWFLSA-N 1 0 277.408 3.074 20 10 CGCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3ccccc3)C2)cc1 ZINC000076360727 640194292 /nfs/dbraw/zinc/19/42/92/640194292.db2.gz BDQIVUYRYMRLII-QGZVFWFLSA-N 1 0 296.414 3.311 20 10 CGCDRO COc1cnccc1[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000189554675 640199207 /nfs/dbraw/zinc/19/92/07/640199207.db2.gz UDBNDDAEZZYVMN-CYBMUJFWSA-N 1 0 285.391 3.007 20 10 CGCDRO Cc1c[nH+]ccc1NCCCSc1nccs1 ZINC000192593165 640390646 /nfs/dbraw/zinc/39/06/46/640390646.db2.gz DQOGQICPBBCTAC-UHFFFAOYSA-N 1 0 265.407 3.441 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H]2C[C@@H](C)O)cc1 ZINC000093483246 640772626 /nfs/dbraw/zinc/77/26/26/640772626.db2.gz GMSGVDVSQAPTAW-CRAIPNDOSA-N 1 0 290.451 3.268 20 10 CGCDRO C[N@H+](Cc1cc(Br)ccc1O)C1CCC1 ZINC000093475649 640772673 /nfs/dbraw/zinc/77/26/73/640772673.db2.gz PEMYCJXCRCEOGH-UHFFFAOYSA-N 1 0 270.170 3.139 20 10 CGCDRO Cc1ccc(O)c(C[N@H+](C)CCc2cccs2)c1 ZINC000093685547 640779756 /nfs/dbraw/zinc/77/97/56/640779756.db2.gz ZKNFYXNEQQRODB-UHFFFAOYSA-N 1 0 261.390 3.437 20 10 CGCDRO CC(C)[NH+](CCN[C@H](C)c1cc(F)ccc1O)C(C)C ZINC000094616572 640799128 /nfs/dbraw/zinc/79/91/28/640799128.db2.gz FINUQACSIPWCQM-CYBMUJFWSA-N 1 0 282.403 3.301 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccccc1CO)c1ccc(N(C)C)cc1 ZINC000305149095 640884578 /nfs/dbraw/zinc/88/45/78/640884578.db2.gz SUFLQZDBXYROKV-IBGZPJMESA-N 1 0 298.430 3.486 20 10 CGCDRO Nc1ccc(NC2=CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC001159485245 806112291 /nfs/dbraw/zinc/11/22/91/806112291.db2.gz IIHSLXBTYOFILZ-UHFFFAOYSA-N 1 0 279.387 3.471 20 10 CGCDRO Nc1ccc(Nc2cccc(O[C@@H]3CCC[NH2+]C3)c2)cc1 ZINC001160211713 806236535 /nfs/dbraw/zinc/23/65/35/806236535.db2.gz KMUZAIRGDFYLBM-QGZVFWFLSA-N 1 0 283.375 3.143 20 10 CGCDRO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(C)CC2)c1O ZINC000037322532 798866246 /nfs/dbraw/zinc/86/62/46/798866246.db2.gz FMMDUTOLHPJUPL-UHFFFAOYSA-N 1 0 281.783 3.480 20 10 CGCDRO CC[C@@H]1CCCC[N@@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000037322989 798866729 /nfs/dbraw/zinc/86/67/29/798866729.db2.gz MNYOOGHXWWNREK-CQSZACIVSA-N 1 0 279.355 3.498 20 10 CGCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)cc2)C12CCC2 ZINC000087709139 798946891 /nfs/dbraw/zinc/94/68/91/798946891.db2.gz FUKGPZKGPCYFGF-DLBZAZTESA-N 1 0 288.435 3.190 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccc3c(c2)CCO3)cc1 ZINC000155189147 799061907 /nfs/dbraw/zinc/06/19/07/799061907.db2.gz PMEVJQLOTFPYAW-UHFFFAOYSA-N 1 0 296.414 3.320 20 10 CGCDRO C[C@H]([NH2+]C[C@@H](O)CC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000178430851 799107939 /nfs/dbraw/zinc/10/79/39/799107939.db2.gz FQETZXHBEGRZMT-BBRMVZONSA-N 1 0 278.440 3.200 20 10 CGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]CCOCC(F)F ZINC000231689419 799140798 /nfs/dbraw/zinc/14/07/98/799140798.db2.gz VZWXRRLGXRPVIA-WDEREUQCSA-N 1 0 285.334 3.120 20 10 CGCDRO C[C@H]([NH2+]C[C@H](O)C1CCC1)c1ccc2ccccc2c1O ZINC000316723681 799241793 /nfs/dbraw/zinc/24/17/93/799241793.db2.gz IHIIRDCSGQPLMW-SJCJKPOMSA-N 1 0 285.387 3.357 20 10 CGCDRO C[C@@H]([NH2+]C[C@H](O)C1CCC1)c1ccc2ccccc2c1O ZINC000316723680 799242446 /nfs/dbraw/zinc/24/24/46/799242446.db2.gz IHIIRDCSGQPLMW-PXAZEXFGSA-N 1 0 285.387 3.357 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+][C@@H]1CCC(F)(F)C1)CC2 ZINC000381034872 799371046 /nfs/dbraw/zinc/37/10/46/799371046.db2.gz UHDNNIZPSQRMDX-GHMZBOCLSA-N 1 0 253.292 3.157 20 10 CGCDRO CCC[C@@H](C[NH2+][C@H](C)c1ccc(N(C)C)cc1)OC ZINC000381088148 799372275 /nfs/dbraw/zinc/37/22/75/799372275.db2.gz CRAVMCKTSYNFPE-CJNGLKHVSA-N 1 0 264.413 3.218 20 10 CGCDRO CC(C)OCCC[N@H+](C)Cc1c(O)cccc1Cl ZINC000382807218 799396732 /nfs/dbraw/zinc/39/67/32/799396732.db2.gz NMJRNCHMZQTFIT-UHFFFAOYSA-N 1 0 271.788 3.293 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]Cc2oc(C)nc2C)cc1 ZINC000386669698 799439253 /nfs/dbraw/zinc/43/92/53/799439253.db2.gz HLESBEMRIWWZRH-UHFFFAOYSA-N 1 0 287.407 3.427 20 10 CGCDRO FC1(F)CCC[C@@H]1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000390839218 799475465 /nfs/dbraw/zinc/47/54/65/799475465.db2.gz BKIFQKFMTMPXGT-CYBMUJFWSA-N 1 0 267.319 3.147 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCCC2(F)F)c1 ZINC000390892309 799475526 /nfs/dbraw/zinc/47/55/26/799475526.db2.gz YZWIDOFXBIHAHS-MNOVXSKESA-N 1 0 285.334 3.487 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]Cc2ccnc(C)c2)c1O ZINC000391214543 799478490 /nfs/dbraw/zinc/47/84/90/799478490.db2.gz WKOLITLSWJCREB-UHFFFAOYSA-N 1 0 292.766 3.047 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CS[C@H](C)C1)c1cc(F)ccc1O ZINC000397867528 799522025 /nfs/dbraw/zinc/52/20/25/799522025.db2.gz AONXWBDGZUJZPK-YWVKMMECSA-N 1 0 255.358 3.076 20 10 CGCDRO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2)c1ccccc1O ZINC000403605093 799569090 /nfs/dbraw/zinc/56/90/90/799569090.db2.gz WBCWOEPNBGYVOM-ODWCKFRGSA-N 1 0 263.406 3.469 20 10 CGCDRO CCOc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)c1O ZINC000403665526 799569966 /nfs/dbraw/zinc/56/99/66/799569966.db2.gz ZPQMOUGYVPROJA-AGUYFDCRSA-N 1 0 293.432 3.307 20 10 CGCDRO C[C@@]1(C[NH2+][C@H]2CCc3cccc(O)c32)CC1(F)F ZINC000689215683 799761422 /nfs/dbraw/zinc/76/14/22/799761422.db2.gz YDDSMXWNZATBPL-GWCFXTLKSA-N 1 0 253.292 3.014 20 10 CGCDRO Cc1ccc(CC[NH2+]Cc2cc(Cl)ccc2O)nc1 ZINC000689470776 799764377 /nfs/dbraw/zinc/76/43/77/799764377.db2.gz ISXZDDRNBPFQSE-UHFFFAOYSA-N 1 0 276.767 3.081 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CC[C@@H](C)SC2)c1 ZINC000689562438 799765816 /nfs/dbraw/zinc/76/58/16/799765816.db2.gz SOESTXBXLOOPBF-GRYCIOLGSA-N 1 0 281.421 3.336 20 10 CGCDRO CCc1cccc(C[NH2+]CC2CCSCC2)c1O ZINC000691500777 799785278 /nfs/dbraw/zinc/78/52/78/799785278.db2.gz RUZNOIOQKUDOGK-UHFFFAOYSA-N 1 0 265.422 3.187 20 10 CGCDRO CCOc1cccc(C[NH2+]CC2(SCC)CC2)c1O ZINC000691826509 799788397 /nfs/dbraw/zinc/78/83/97/799788397.db2.gz ABCVYBLLHWBMHO-UHFFFAOYSA-N 1 0 281.421 3.166 20 10 CGCDRO CO[C@H]1CCC[N@H+](Cc2c(O)cccc2Cl)CC1 ZINC000692058703 799791429 /nfs/dbraw/zinc/79/14/29/799791429.db2.gz BRTRLWAJUWCKEU-NSHDSACASA-N 1 0 269.772 3.047 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCOC2(C)C)c(O)c1 ZINC000693079608 799807841 /nfs/dbraw/zinc/80/78/41/799807841.db2.gz POQARSLWZSWCIU-QWHCGFSZSA-N 1 0 263.381 3.166 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1)c1cc(F)ccc1O ZINC000693914658 799818235 /nfs/dbraw/zinc/81/82/35/799818235.db2.gz YCLYCDXZVUDMGZ-WCQYABFASA-N 1 0 280.387 3.055 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C[C@H](C)O1 ZINC000694870386 799823720 /nfs/dbraw/zinc/82/37/20/799823720.db2.gz JDVVMYCSCDMQRT-MNOVXSKESA-N 1 0 269.772 3.045 20 10 CGCDRO C[C@H]([NH2+]CCCOC(C)(C)C)c1ccccc1O ZINC000695281682 799827690 /nfs/dbraw/zinc/82/76/90/799827690.db2.gz GIRVZDFIIKATHW-LBPRGKRZSA-N 1 0 251.370 3.248 20 10 CGCDRO CC(F)(F)C(C)(C)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000696594868 799841875 /nfs/dbraw/zinc/84/18/75/799841875.db2.gz CNAGBWGOZPSAAY-UHFFFAOYSA-N 1 0 269.335 3.393 20 10 CGCDRO CCc1cccc(C[NH2+]CCSCC(F)(F)F)c1O ZINC000698967866 799857368 /nfs/dbraw/zinc/85/73/68/799857368.db2.gz PLBZQIQOJFCGKH-UHFFFAOYSA-N 1 0 293.354 3.340 20 10 CGCDRO CC(C)O[C@H]1CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000701719965 799892897 /nfs/dbraw/zinc/89/28/97/799892897.db2.gz KKZBEMLRFAMITQ-NSHDSACASA-N 1 0 269.772 3.045 20 10 CGCDRO CCc1cccc(C[NH2+]CCC2(F)CCC2)c1O ZINC000702518646 799909992 /nfs/dbraw/zinc/90/99/92/799909992.db2.gz ICCVBGWDJHYUKT-UHFFFAOYSA-N 1 0 251.345 3.327 20 10 CGCDRO C[C@@H]([NH2+]C1CCC(C)(O)CC1)c1ccc(N(C)C)cc1 ZINC000703576373 799925907 /nfs/dbraw/zinc/92/59/07/799925907.db2.gz QGDGCJYGTFTAKL-BZOOQXSSSA-N 1 0 276.424 3.097 20 10 CGCDRO COC1CCC([NH2+]Cc2c(O)cccc2Cl)CC1 ZINC000703821104 799930224 /nfs/dbraw/zinc/93/02/24/799930224.db2.gz AYBHMJGYFPNPBH-UHFFFAOYSA-N 1 0 269.772 3.093 20 10 CGCDRO CCc1cccc(C[NH+]2CCC(CCOC)CC2)c1O ZINC000704156995 799934886 /nfs/dbraw/zinc/93/48/86/799934886.db2.gz TYQNCAKGIGYBBE-UHFFFAOYSA-N 1 0 277.408 3.203 20 10 CGCDRO CC[C@H]([NH2+]C1CCC(C)(O)CC1)c1ccccc1O ZINC000705817194 799953927 /nfs/dbraw/zinc/95/39/27/799953927.db2.gz XUCSUVSIXRUGIN-UGWHAMFMSA-N 1 0 263.381 3.127 20 10 CGCDRO Oc1cccc(Br)c1C[NH2+]CCC1CC1 ZINC000706829902 799968030 /nfs/dbraw/zinc/96/80/30/799968030.db2.gz GQFHFRKACBMFNN-UHFFFAOYSA-N 1 0 270.170 3.044 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCC23CC3)c1 ZINC000706918860 799970372 /nfs/dbraw/zinc/97/03/72/799970372.db2.gz ZULIXIBCDPLVGW-XHDPSFHLSA-N 1 0 261.365 3.384 20 10 CGCDRO Oc1cccc(Br)c1C[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000707138886 799973843 /nfs/dbraw/zinc/97/38/43/799973843.db2.gz IOGUODLZSGAAQC-GHMZBOCLSA-N 1 0 296.208 3.387 20 10 CGCDRO CCOc1cccc(C[NH2+]CC[C@@H]2CCCS2)c1O ZINC000715754987 800146202 /nfs/dbraw/zinc/14/62/02/800146202.db2.gz OZNGIJPZTSXWKY-ZDUSSCGKSA-N 1 0 281.421 3.166 20 10 CGCDRO CC1(C)CO[C@@H](CC[NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000717260373 800199733 /nfs/dbraw/zinc/19/97/33/800199733.db2.gz FDOJEDVSWWGTNY-UONOGXRCSA-N 1 0 275.392 3.174 20 10 CGCDRO C[C@H]([NH2+]Cc1nc2c(s1)CCC2)c1cc(F)ccc1O ZINC000719582689 800244446 /nfs/dbraw/zinc/24/44/46/800244446.db2.gz LUKFEZXEFSHATA-VIFPVBQESA-N 1 0 292.379 3.327 20 10 CGCDRO COC(C)(C)[C@@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000720246371 800255020 /nfs/dbraw/zinc/25/50/20/800255020.db2.gz FTTZOSVNDWJEJM-QWHCGFSZSA-N 1 0 264.413 3.217 20 10 CGCDRO COc1cccc(C[C@@H](C)[NH2+]Cc2cccc(C)c2O)c1 ZINC001256154513 806836604 /nfs/dbraw/zinc/83/66/04/806836604.db2.gz WEDUFHIYGCYZHX-CQSZACIVSA-N 1 0 285.387 3.430 20 10 CGCDRO COc1ccc(C[NH2+]C2[C@@H](C)CCC[C@@H]2C)c(O)c1OC ZINC000892711077 800567987 /nfs/dbraw/zinc/56/79/87/800567987.db2.gz ARCVBVIVKURSLB-RYUDHWBXSA-N 1 0 293.407 3.324 20 10 CGCDRO C[C@@H]([NH2+]Cc1cc(F)ccc1O)c1ccc2c(c1)CCO2 ZINC000897418226 800590662 /nfs/dbraw/zinc/59/06/62/800590662.db2.gz LPOXRNNFVSNCOG-LLVKDONJSA-N 1 0 287.334 3.317 20 10 CGCDRO CC(C)N(CCC[NH3+])c1ccc(O[C@H]2CCCCO2)cc1 ZINC001164127273 806897968 /nfs/dbraw/zinc/89/79/68/806897968.db2.gz TVGPBMLPEOGRMI-KRWDZBQOSA-N 1 0 292.423 3.156 20 10 CGCDRO C[N@H+](Cc1ccns1)Cc1cc2c(cc1O)CCCC2 ZINC001119333931 802650014 /nfs/dbraw/zinc/65/00/14/802650014.db2.gz FDOQUPDZWUBSCE-UHFFFAOYSA-N 1 0 288.416 3.360 20 10 CGCDRO CCCSC[C@H](C)[NH2+]Cc1cc(OC)ccc1O ZINC001120031496 802727230 /nfs/dbraw/zinc/72/72/30/802727230.db2.gz AIYPRZSDIJNUBQ-NSHDSACASA-N 1 0 269.410 3.022 20 10 CGCDRO Nc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)cc1 ZINC001120371444 802742317 /nfs/dbraw/zinc/74/23/17/802742317.db2.gz GDLULIAWERUTCA-RDJZCZTQSA-N 1 0 274.408 3.050 20 10 CGCDRO Cc1cc(C[N@@H+]2CC[C@@](C)(CO)C2)c(C)n1-c1ccccc1 ZINC001137854497 803786678 /nfs/dbraw/zinc/78/66/78/803786678.db2.gz YXYRMEUKPPLSMW-LJQANCHMSA-N 1 0 298.430 3.298 20 10 CGCDRO Cc1c(C[N@H+](C)[C@H]2CC[C@H](O)CC2)c2ccccc2n1C ZINC001138252554 803880011 /nfs/dbraw/zinc/88/00/11/803880011.db2.gz LHXOZOVHFQNFRA-SHTZXODSSA-N 1 0 286.419 3.222 20 10 CGCDRO Cc1c(C[N@@H+]2CCC[C@H](CCO)C2)c2ccccc2n1C ZINC001138258236 803884042 /nfs/dbraw/zinc/88/40/42/803884042.db2.gz NERBHVCSTAINIG-OAHLLOKOSA-N 1 0 286.419 3.081 20 10 CGCDRO Cc1c(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc2n1C ZINC001138258649 803884137 /nfs/dbraw/zinc/88/41/37/803884137.db2.gz XNNVSCPRVCFPEX-CVEARBPZSA-N 1 0 297.446 3.155 20 10 CGCDRO Cc1c(C[N@@H+]2CC[C@H]3OCC[C@H]3C2)c2ccccc2n1C ZINC001138258022 803884351 /nfs/dbraw/zinc/88/43/51/803884351.db2.gz ISDJSZYWVJYTKD-KBXCAEBGSA-N 1 0 284.403 3.098 20 10 CGCDRO CC(C)O[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCCN3C)C1 ZINC001138356093 803899930 /nfs/dbraw/zinc/89/99/30/803899930.db2.gz HHTZSBOMXAMKQV-QGZVFWFLSA-N 1 0 288.435 3.068 20 10 CGCDRO CC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc2c(c1)CCCN2C ZINC001138355786 803900160 /nfs/dbraw/zinc/90/01/60/803900160.db2.gz CTZYVZDRSPDTHS-KRWDZBQOSA-N 1 0 286.419 3.013 20 10 CGCDRO CN1CCCc2cc(C[N@@H+]3CCC4(CCC4)C3)ccc21 ZINC001138357015 803901137 /nfs/dbraw/zinc/90/11/37/803901137.db2.gz YNWYTEHXKBRIFP-UHFFFAOYSA-N 1 0 270.420 3.445 20 10 CGCDRO C[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)[C@@H](C)C1 ZINC001138498923 803952995 /nfs/dbraw/zinc/95/29/95/803952995.db2.gz MXMMBFKBLDODAJ-HOTGVXAUSA-N 1 0 288.435 3.144 20 10 CGCDRO Nc1ccc(C[NH2+]C2CCc3ccccc3CC2)cc1 ZINC001246168007 804182048 /nfs/dbraw/zinc/18/20/48/804182048.db2.gz BUXPHQSTSGGSJP-UHFFFAOYSA-N 1 0 266.388 3.306 20 10 CGCDRO CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+]Cc1ccc(N)cc1 ZINC001246174838 804189412 /nfs/dbraw/zinc/18/94/12/804189412.db2.gz XFNKASRACNLWGU-MRXNPFEDSA-N 1 0 298.386 3.108 20 10 CGCDRO Cc1cc(C[N@@H+]2CC(C)(C)C[C@@]2(C)CO)ccc1N(C)C ZINC001139669591 804245232 /nfs/dbraw/zinc/24/52/32/804245232.db2.gz CAMRGBWBCZILQV-SFHVURJKSA-N 1 0 290.451 3.044 20 10 CGCDRO Cc1cc(C[N@@H+]2C[C@@H](C)C[C@H]2CF)ccc1N(C)C ZINC001139669654 804246409 /nfs/dbraw/zinc/24/64/09/804246409.db2.gz FZIHEIRMQFLPDX-WFASDCNBSA-N 1 0 264.388 3.241 20 10 CGCDRO CC[N@H+](Cc1ccc(N(C)C)c(C)c1)C1CCOCC1 ZINC001139670943 804248077 /nfs/dbraw/zinc/24/80/77/804248077.db2.gz GZNOVVGLDJHLKX-UHFFFAOYSA-N 1 0 276.424 3.062 20 10 CGCDRO Cc1cc(C[N@@H+]2CCc3cccc(O)c3C2)ccc1N(C)C ZINC001139673912 804248513 /nfs/dbraw/zinc/24/85/13/804248513.db2.gz MZKUPXKVUBXZCC-UHFFFAOYSA-N 1 0 296.414 3.325 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](C(C)(C)C)C2)cc1 ZINC001246307898 804272314 /nfs/dbraw/zinc/27/23/14/804272314.db2.gz FLYWXVXOYCBNKP-DOTOQJQBSA-N 1 0 289.467 3.009 20 10 CGCDRO O=C(c1ccccc1)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC001140060128 804366521 /nfs/dbraw/zinc/36/65/21/804366521.db2.gz LSWRSJCDOWAFKH-CQSZACIVSA-N 1 0 299.345 3.236 20 10 CGCDRO C[N@H+](Cc1c[nH]c2cccc(O)c12)Cc1ccccc1O ZINC001140234731 804403103 /nfs/dbraw/zinc/40/31/03/804403103.db2.gz JDHOMZJONDBXDK-UHFFFAOYSA-N 1 0 282.343 3.211 20 10 CGCDRO CC1(C)C[N@H+](Cc2c(O)cccc2Cl)[C@](C)(CO)C1 ZINC001140337839 804417750 /nfs/dbraw/zinc/41/77/50/804417750.db2.gz IWFAZAVBOPPWFY-HNNXBMFYSA-N 1 0 283.799 3.029 20 10 CGCDRO Oc1cccc(Cl)c1C[N@@H+]1CC[C@@H](COCC2CC2)C1 ZINC001140341714 804420650 /nfs/dbraw/zinc/42/06/50/804420650.db2.gz DLJHYGYJJAEKBV-CYBMUJFWSA-N 1 0 295.810 3.294 20 10 CGCDRO COC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(Cl)cc1O ZINC001140465917 804442832 /nfs/dbraw/zinc/44/28/32/804442832.db2.gz UNVZDACJWVDRAE-PBWFPOADSA-N 1 0 281.783 3.187 20 10 CGCDRO C[N@H+](Cc1ccccc1O)Cc1ccc(Cl)cc1O ZINC001140464888 804444109 /nfs/dbraw/zinc/44/41/09/804444109.db2.gz FBBMRMLOCIAOJX-UHFFFAOYSA-N 1 0 277.751 3.383 20 10 CGCDRO Cc1ccn2cc(C[N@@H+](C)Cc3cc(C)ccc3O)nc2c1 ZINC001140624419 804478710 /nfs/dbraw/zinc/47/87/10/804478710.db2.gz VZPMPADYVMJATP-UHFFFAOYSA-N 1 0 295.386 3.289 20 10 CGCDRO CC[N@H+](Cc1ccc2ncn(C)c2c1)Cc1ccccc1O ZINC001140740568 804501607 /nfs/dbraw/zinc/50/16/07/804501607.db2.gz QRMBCPRTGQYIIY-UHFFFAOYSA-N 1 0 295.386 3.301 20 10 CGCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@H]2c2ccccc2)c1O ZINC001140749270 804504433 /nfs/dbraw/zinc/50/44/33/804504433.db2.gz UWIWNSPJVZPCEM-HNNXBMFYSA-N 1 0 269.344 3.353 20 10 CGCDRO Cc1c(O)ccc(C[N@@H+]2CCc3c(F)cccc3C2)c1O ZINC001140747458 804504491 /nfs/dbraw/zinc/50/44/91/804504491.db2.gz AEUGQVDZWOUNOF-UHFFFAOYSA-N 1 0 287.334 3.104 20 10 CGCDRO CCCC[N@H+](C)Cc1ccc(N(CC)CC)cc1O ZINC001140851444 804533654 /nfs/dbraw/zinc/53/36/54/804533654.db2.gz JGDKUPPZNFJPBN-UHFFFAOYSA-N 1 0 264.413 3.470 20 10 CGCDRO Cc1ccc(C[NH+]2CCC(Oc3ccncc3)CC2)c(O)c1 ZINC001140947934 804556202 /nfs/dbraw/zinc/55/62/02/804556202.db2.gz LYHKPGXPYKLYOD-UHFFFAOYSA-N 1 0 298.386 3.139 20 10 CGCDRO Cc1ccc(C[N@H+]2C[C@H]3[C@H](CCC3(F)F)C2)c(O)c1 ZINC001140947725 804556644 /nfs/dbraw/zinc/55/66/44/804556644.db2.gz CQKRFOBNCJBOPN-YPMHNXCESA-N 1 0 267.319 3.178 20 10 CGCDRO COCC[C@H]1CCCC[N@@H+]1Cc1ccc(C)cc1O ZINC001140949839 804556827 /nfs/dbraw/zinc/55/68/27/804556827.db2.gz MYVYKXRTPWBTOI-OAHLLOKOSA-N 1 0 263.381 3.092 20 10 CGCDRO Cc1ccc(C[NH+]2CC(C)(C)OC(C)(C)C2)c(O)c1 ZINC001140958241 804557304 /nfs/dbraw/zinc/55/73/04/804557304.db2.gz VINGSFNSSQMNBN-UHFFFAOYSA-N 1 0 263.381 3.090 20 10 CGCDRO COC(=O)CC[N@H+](Cc1ccc(C)cc1O)C1CCCC1 ZINC001140950250 804557826 /nfs/dbraw/zinc/55/78/26/804557826.db2.gz XBWWUYQEQODBJV-UHFFFAOYSA-N 1 0 291.391 3.008 20 10 CGCDRO Cc1ccc(C[N@@H+]2CC[C@H](Oc3cccc(C)n3)C2)c(O)c1 ZINC001140954100 804558962 /nfs/dbraw/zinc/55/89/62/804558962.db2.gz LOWCCWNHXDFWHC-INIZCTEOSA-N 1 0 298.386 3.057 20 10 CGCDRO C[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1ccc2c(c1)OCCN2C ZINC001141143545 804596705 /nfs/dbraw/zinc/59/67/05/804596705.db2.gz DAGVYEHAACNLDC-UONOGXRCSA-N 1 0 274.408 3.136 20 10 CGCDRO CN1CCOc2cc(C[N@H+](C)C3CCCCC3)ccc21 ZINC001141138919 804596801 /nfs/dbraw/zinc/59/68/01/804596801.db2.gz DGUYKTVBDTYOOX-UHFFFAOYSA-N 1 0 274.408 3.280 20 10 CGCDRO Oc1ccc(O)c(C[N@@H+]2CCCC3(CCCC3)C2)c1 ZINC001141156933 804600337 /nfs/dbraw/zinc/60/03/37/804600337.db2.gz YEOZNQNHPGTIMV-UHFFFAOYSA-N 1 0 261.365 3.254 20 10 CGCDRO C[N@H+](CCc1ccc(Cl)cc1)Cc1cc(O)ccc1O ZINC001141160422 804601287 /nfs/dbraw/zinc/60/12/87/804601287.db2.gz XYSQEPOIQRWJRZ-UHFFFAOYSA-N 1 0 291.778 3.426 20 10 CGCDRO CC[N@H+](Cc1cccc2c1OCO2)Cc1ccccc1O ZINC001141958655 804681531 /nfs/dbraw/zinc/68/15/31/804681531.db2.gz RDYHDQFFIFNVOZ-UHFFFAOYSA-N 1 0 285.343 3.143 20 10 CGCDRO C[C@H]1CC[N@H+](Cc2cccc(C(C)(C)C)c2O)CC[C@H]1O ZINC001143103392 804802311 /nfs/dbraw/zinc/80/23/11/804802311.db2.gz BSQRAHGWGDFDSR-XJKSGUPXSA-N 1 0 291.435 3.283 20 10 CGCDRO Cc1cc(F)cc(C[N@@H+]2CCc3cccc(O)c3C2)c1 ZINC001143618944 804878653 /nfs/dbraw/zinc/87/86/53/804878653.db2.gz HAJUIXIMJDOYQH-UHFFFAOYSA-N 1 0 271.335 3.398 20 10 CGCDRO Oc1cc(O)c(C[NH+]2CCC3(CCCCC3)CC2)c(O)c1 ZINC001144500685 804996382 /nfs/dbraw/zinc/99/63/82/804996382.db2.gz YZRACEZZRAJBKX-UHFFFAOYSA-N 1 0 291.391 3.350 20 10 CGCDRO CC1(C)C=Cc2c(O)c(C[N@@H+]3CC[C@@H](F)C3)ccc2O1 ZINC001249223222 805115715 /nfs/dbraw/zinc/11/57/15/805115715.db2.gz BRHBVXVQJXYLLY-GFCCVEGCSA-N 1 0 277.339 3.120 20 10 CGCDRO CC(C)[PH+](CCNC(=O)c1cccc(O)c1O)C(C)C ZINC001148224785 805169882 /nfs/dbraw/zinc/16/98/82/805169882.db2.gz VDMLPFIFFDLSQD-UHFFFAOYSA-N 1 0 297.335 3.126 20 10 CGCDRO CNc1ccccc1NCCC[N@@H+]1CCCC[C@H]1C ZINC001167754629 807244310 /nfs/dbraw/zinc/24/43/10/807244310.db2.gz UACHXNDVEUQOKT-CQSZACIVSA-N 1 0 261.413 3.405 20 10 CGCDRO C[C@@H](c1ccccc1)[N@H+](CCO)Cc1ccc(N(C)C)cc1 ZINC001168311416 807378948 /nfs/dbraw/zinc/37/89/48/807378948.db2.gz ZSMWVFXYFCUGOY-INIZCTEOSA-N 1 0 298.430 3.308 20 10 CGCDRO CCCCC[C@H](CC)[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC001258437656 807450576 /nfs/dbraw/zinc/45/05/76/807450576.db2.gz HYHZGCCJQCAEBK-ZDUSSCGKSA-N 1 0 279.380 3.229 20 10 CGCDRO COc1ccc(C[C@@H](C)[N@H+](C)Cc2ccc(N)cc2)cc1 ZINC001262487545 807868140 /nfs/dbraw/zinc/86/81/40/807868140.db2.gz WZYSHLILBAGAPM-CQSZACIVSA-N 1 0 284.403 3.340 20 10 CGCDRO Nc1ccc(C[NH2+][C@@H]2CCCc3cc(N)ccc32)cc1 ZINC001262487865 807868217 /nfs/dbraw/zinc/86/82/17/807868217.db2.gz IPRHVENWZVPBGR-QGZVFWFLSA-N 1 0 267.376 3.018 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@H]2C[C@@H]3[C@H](C2)C3(C)C)cc1 ZINC001170727961 807889204 /nfs/dbraw/zinc/88/92/04/807889204.db2.gz PXJQUQVTHXHPLS-RBVVOMGSSA-N 1 0 258.409 3.277 20 10 CGCDRO CC1(C)C[C@@H]([NH2+]Cc2cc3ccccc3cc2O)CO1 ZINC001172277817 808211563 /nfs/dbraw/zinc/21/15/63/808211563.db2.gz LDHHCSBOBBWXEN-OAHLLOKOSA-N 1 0 271.360 3.203 20 10 CGCDRO CCCOC1CCC([N@@H+]2CCc3cccc(O)c3C2)CC1 ZINC001173100170 808509157 /nfs/dbraw/zinc/50/91/57/808509157.db2.gz BFNAGAHVGFCUBB-UHFFFAOYSA-N 1 0 289.419 3.488 20 10 CGCDRO COC(=O)CCCC[C@@H](C)[NH2+]Cc1c(C)cc(C)cc1O ZINC001173447046 808638358 /nfs/dbraw/zinc/63/83/58/808638358.db2.gz ZGDGLADAVLVQHY-CQSZACIVSA-N 1 0 293.407 3.221 20 10 CGCDRO Cc1c[nH+]ccc1Nc1ccc(F)c(Br)c1O ZINC001174538721 809070393 /nfs/dbraw/zinc/07/03/93/809070393.db2.gz NBBRHQLFPVBQEM-UHFFFAOYSA-N 1 0 297.127 3.163 20 10 CGCDRO Cc1cc(Nc2cc(OC(F)(F)F)ccc2O)cc[nH+]1 ZINC001174657209 809120161 /nfs/dbraw/zinc/12/01/61/809120161.db2.gz BHAGOWXXOQVKTF-UHFFFAOYSA-N 1 0 284.237 3.160 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@@H](CO)CC2CC2)cc1C ZINC001178615852 809879466 /nfs/dbraw/zinc/87/94/66/809879466.db2.gz YXQPURRSWBGRCR-MRXNPFEDSA-N 1 0 277.408 3.034 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc3cccnc3o2)c1 ZINC001179054844 809902810 /nfs/dbraw/zinc/90/28/10/809902810.db2.gz ZGXPQJZYUUQINR-LLVKDONJSA-N 1 0 298.342 3.393 20 10 CGCDRO C[C@@H]1CC[C@@H]([NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC001179756212 809942629 /nfs/dbraw/zinc/94/26/29/809942629.db2.gz YVSBMADBFRDKIF-KYJSFNMBSA-N 1 0 289.467 3.134 20 10 CGCDRO CC[N@@H+]1C[C@H](C)N(Cc2cc(Cl)c(C)cc2O)C[C@H]1C ZINC001180141335 809977011 /nfs/dbraw/zinc/97/70/11/809977011.db2.gz GEWQCMGWZPMMFY-OLZOCXBDSA-N 1 0 296.842 3.269 20 10 CGCDRO COc1cc(C)cc(C[NH2+]C[C@@H]2CCC[C@H]2C)c1O ZINC001181174832 810042063 /nfs/dbraw/zinc/04/20/63/810042063.db2.gz GIUHXCFQRHWDSM-OLZOCXBDSA-N 1 0 263.381 3.235 20 10 CGCDRO Cc1ccc(C[N@@H+]2CC3(CCC3)[C@@H]2C2CC2)c(O)c1 ZINC001182183975 810097710 /nfs/dbraw/zinc/09/77/10/810097710.db2.gz LFVDDVULOPCLBD-INIZCTEOSA-N 1 0 257.377 3.465 20 10 CGCDRO CC[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)C[C@H](CC)O1 ZINC001195301005 811238778 /nfs/dbraw/zinc/23/87/78/811238778.db2.gz WXLIBKCXNMMSHH-CALCHBBNSA-N 1 0 276.424 3.142 20 10 CGCDRO CCN(C)c1ccc(C[NH2+][C@@H]2CCC[C@]23CCCO3)cc1 ZINC001197285486 811411729 /nfs/dbraw/zinc/41/17/29/811411729.db2.gz QPAFYIGXDFHPPE-MSOLQXFVSA-N 1 0 288.435 3.334 20 10 CGCDRO CC[NH+](CC)[C@H](C)CNCc1c(O)cc(C)cc1Cl ZINC001202258884 812053071 /nfs/dbraw/zinc/05/30/71/812053071.db2.gz JWYOPSWGWANIRP-GFCCVEGCSA-N 1 0 284.831 3.174 20 10 CGCDRO CCCOc1ccc(C[NH2+]CC[C@H](C)OC)cc1C ZINC001202474553 812102630 /nfs/dbraw/zinc/10/26/30/812102630.db2.gz FTPLUYUOBNMSPX-AWEZNQCLSA-N 1 0 265.397 3.298 20 10 CGCDRO CCO[C@H]1C[C@@H]([NH2+]Cc2c(C)c3ccccc3n2C)C1 ZINC001202750679 812166197 /nfs/dbraw/zinc/16/61/97/812166197.db2.gz XPMCYXAEYWQOTC-OKILXGFUSA-N 1 0 272.392 3.144 20 10 CGCDRO Oc1cc2c(cc1O)C[N@H+](Cc1ccccc1)CCC2 ZINC001203314961 812309044 /nfs/dbraw/zinc/30/90/44/812309044.db2.gz WVTRAWGTKAGWOD-UHFFFAOYSA-N 1 0 269.344 3.046 20 10 CGCDRO COc1cccc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)c1 ZINC001203826197 812472013 /nfs/dbraw/zinc/47/20/13/812472013.db2.gz SKQCPCILDMQPEF-UHFFFAOYSA-N 1 0 299.370 3.055 20 10 CGCDRO Cc1ccccc1C[N@H+](C)Cc1ccc(O)c(O)c1 ZINC001203878630 812478863 /nfs/dbraw/zinc/47/88/63/812478863.db2.gz IWQYZLCPTRKHKF-UHFFFAOYSA-N 1 0 257.333 3.038 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](F)CC2)cc1 ZINC001203930553 812494609 /nfs/dbraw/zinc/49/46/09/812494609.db2.gz YKSHYMGULIVWFG-CQSZACIVSA-N 1 0 250.361 3.077 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](C)[C@H]2CO)cc1 ZINC001203935332 812496641 /nfs/dbraw/zinc/49/66/41/812496641.db2.gz FBYGCHPPWADZEP-MAUKXSAKSA-N 1 0 290.451 3.126 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCCC(=O)CC2)cc1 ZINC001203939591 812497299 /nfs/dbraw/zinc/49/72/99/812497299.db2.gz DFSMUZGETVHISO-UHFFFAOYSA-N 1 0 274.408 3.088 20 10 CGCDRO c1ccc2c(c1)CO[C@@H]2C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001204063907 812538408 /nfs/dbraw/zinc/53/84/08/812538408.db2.gz NTLLTGWADVEXNV-LJQANCHMSA-N 1 0 295.382 3.373 20 10 CGCDRO COCC[N@H+](Cc1c(C)cc(OC)cc1O)C1CCCC1 ZINC001204169961 812563607 /nfs/dbraw/zinc/56/36/07/812563607.db2.gz DLQSLKYOOJTTQB-UHFFFAOYSA-N 1 0 293.407 3.100 20 10 CGCDRO CN(C)c1ccc(C[NH+]2CCC(CO)CC2)c2ccccc21 ZINC001204236993 812581518 /nfs/dbraw/zinc/58/15/18/812581518.db2.gz ZTORPAYNQWMQGR-UHFFFAOYSA-N 1 0 298.430 3.110 20 10 CGCDRO C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001204234368 812581652 /nfs/dbraw/zinc/58/16/52/812581652.db2.gz ZLSOKRIRBCZSIL-ZBFHGGJFSA-N 1 0 298.430 3.109 20 10 CGCDRO Oc1ccc(C[N@@H+]2CCC[C@@H](Oc3ccccc3)C2)c(O)c1 ZINC001204275503 812593876 /nfs/dbraw/zinc/59/38/76/812593876.db2.gz UHAAHEUNDCDOQA-QGZVFWFLSA-N 1 0 299.370 3.141 20 10 CGCDRO FC1(F)C[C@@H]2C[N@H+](Cc3ccc(N4CCCC4)cc3)C[C@@H]21 ZINC001204325629 812614048 /nfs/dbraw/zinc/61/40/48/812614048.db2.gz RNLWFXDEELCOSI-ZBFHGGJFSA-N 1 0 292.373 3.374 20 10 CGCDRO Cc1cc(CN2CCCC[C@@H]2C[NH3+])c(C)n1-c1ccccc1 ZINC001204925381 812777628 /nfs/dbraw/zinc/77/76/28/812777628.db2.gz RWQPAYAIVMSHAU-LJQANCHMSA-N 1 0 297.446 3.407 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(CN2CCCC[C@H]2C[NH3+])cc1 ZINC001204924830 812777797 /nfs/dbraw/zinc/77/77/97/812777797.db2.gz AVGOUCCFVOZFJE-IBGZPJMESA-N 1 0 297.446 3.407 20 10 CGCDRO C[C@]1([NH3+])CCCN(Cc2cc(Cl)c(Cl)cc2O)C1 ZINC001204946439 812793284 /nfs/dbraw/zinc/79/32/84/812793284.db2.gz OAOOIOGNXWIZIW-ZDUSSCGKSA-N 1 0 289.206 3.012 20 10 CGCDRO C[C@H]1CC[C@H](CN)[N@H+](Cc2ccc(C(C)(C)C)cc2O)C1 ZINC001205841836 813104479 /nfs/dbraw/zinc/10/44/79/813104479.db2.gz LJAOBMZBDSQMAA-XJKSGUPXSA-N 1 0 290.451 3.249 20 10 CGCDRO CC(C)(C)c1ccc(CN2CCCC[C@H]([NH3+])C2)c(O)c1 ZINC001205938363 813140161 /nfs/dbraw/zinc/14/01/61/813140161.db2.gz GVQHEBMHFYJDHN-HNNXBMFYSA-N 1 0 276.424 3.003 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(CN2CC[NH2+]C[C@H](C)C2)cc1 ZINC001206269301 813264142 /nfs/dbraw/zinc/26/41/42/813264142.db2.gz JXKLUHWZPHDWHB-HNNXBMFYSA-N 1 0 297.446 3.135 20 10 CGCDRO CC[N@H+](Cc1cnc(C)s1)Cc1ccccc1O ZINC001207062087 813476737 /nfs/dbraw/zinc/47/67/37/813476737.db2.gz ZKWSKLBFWPMULH-UHFFFAOYSA-N 1 0 262.378 3.179 20 10 CGCDRO Cc1ccc(CCC[N@@H+](C)Cc2ccccc2O)o1 ZINC001207952589 813679198 /nfs/dbraw/zinc/67/91/98/813679198.db2.gz ZYFLSQJPYHYOEI-UHFFFAOYSA-N 1 0 259.349 3.358 20 10 CGCDRO Oc1cccc2c1C[N@H+](CCc1cc(F)cc(F)c1)CC2 ZINC001209133808 813944711 /nfs/dbraw/zinc/94/47/11/813944711.db2.gz VJNPAYQERQRXRX-UHFFFAOYSA-N 1 0 289.325 3.271 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CCC[C@@H]2CO)cc1 ZINC001209516674 814071413 /nfs/dbraw/zinc/07/14/13/814071413.db2.gz LKXOIEAKBOGHRL-GOSISDBHSA-N 1 0 284.403 3.051 20 10 CGCDRO CCCC[C@H](CC)Oc1ccc(N2CC[NH2+]CC2)cc1 ZINC001218222421 816131831 /nfs/dbraw/zinc/13/18/31/816131831.db2.gz CJCLKMNHKKPQKF-INIZCTEOSA-N 1 0 276.424 3.444 20 10 CGCDRO c1cc(N2CC[NH2+]CC2)ccc1O[C@@H]1CCC=CCCC1 ZINC001218302256 816158572 /nfs/dbraw/zinc/15/85/72/816158572.db2.gz AVYKRPIWHZURDF-QGZVFWFLSA-N 1 0 286.419 3.364 20 10 CGCDRO Cc1cccc(C[N@H+](C)C[C@H]2Cc3ccccc3O2)c1O ZINC001231594390 818131242 /nfs/dbraw/zinc/13/12/42/818131242.db2.gz DDWWFRUSFPQINJ-MRXNPFEDSA-N 1 0 283.371 3.136 20 10 CGCDRO CC[N@H+](CCN1CCCCC1)Cc1cccc(C)c1O ZINC001231593875 818131316 /nfs/dbraw/zinc/13/13/16/818131316.db2.gz NBYLEABEBFBNDL-UHFFFAOYSA-N 1 0 276.424 3.008 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCC[C@](C)(F)CC2)c1O ZINC001231590586 818131687 /nfs/dbraw/zinc/13/16/87/818131687.db2.gz BKXTVOGIXQXLOE-HNNXBMFYSA-N 1 0 251.345 3.415 20 10 CGCDRO Oc1ccc2ccccc2c1C[N@@H+]1C[C@H]2[C@H](CF)[C@H]2C1 ZINC001231590822 818132328 /nfs/dbraw/zinc/13/23/28/818132328.db2.gz MWJCFYIRAPCXGF-QKDCVEJESA-N 1 0 271.335 3.193 20 10 CGCDRO Cc1cccc(C[N@@H+](C)CCN(C)Cc2ccccc2)c1O ZINC001231595063 818133220 /nfs/dbraw/zinc/13/32/20/818133220.db2.gz RNVKOUOIMLBQHJ-UHFFFAOYSA-N 1 0 298.430 3.264 20 10 CGCDRO Cc1ccc(C[N@@H+](C)Cc2cccc(C)c2O)cn1 ZINC001231595017 818134026 /nfs/dbraw/zinc/13/40/26/818134026.db2.gz QQLBXQLHQSYMMO-UHFFFAOYSA-N 1 0 256.349 3.036 20 10 CGCDRO CCCCOC1C[NH+](Cc2c(C)cc(C)cc2O)C1 ZINC001231844079 818185827 /nfs/dbraw/zinc/18/58/27/818185827.db2.gz GMPYUEFLWKKGAS-UHFFFAOYSA-N 1 0 263.381 3.010 20 10 CGCDRO CCCOC1CC[NH+](Cc2c(C)cc(C)cc2O)CC1 ZINC001231844295 818186312 /nfs/dbraw/zinc/18/63/12/818186312.db2.gz ICZKROUPXQRWFE-UHFFFAOYSA-N 1 0 277.408 3.400 20 10 CGCDRO Cc1cc(C)c(C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)c(O)c1 ZINC001231845980 818187221 /nfs/dbraw/zinc/18/72/21/818187221.db2.gz WQSDGMNTTTZOQW-MRXNPFEDSA-N 1 0 298.386 3.057 20 10 CGCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H](C)C[C@H]1C ZINC001231853789 818188954 /nfs/dbraw/zinc/18/89/54/818188954.db2.gz RITHOMNHNTYPME-UONOGXRCSA-N 1 0 276.424 3.382 20 10 CGCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H]1C(C)C ZINC001231855671 818189983 /nfs/dbraw/zinc/18/99/83/818189983.db2.gz YLKQRGVNKRBERX-INIZCTEOSA-N 1 0 276.424 3.382 20 10 CGCDRO Cc1cc(O)c(CN2CC[NH+](CC(C)C)CC2)cc1Cl ZINC001231867471 818191581 /nfs/dbraw/zinc/19/15/81/818191581.db2.gz KXVOTHVWJCTHPA-UHFFFAOYSA-N 1 0 296.842 3.128 20 10 CGCDRO Cc1cc(O)c(CN2CC[N@@H+](C(C)C)[C@@H](C)C2)cc1Cl ZINC001231872205 818193965 /nfs/dbraw/zinc/19/39/65/818193965.db2.gz XQEUEVBCRQQVEO-ZDUSSCGKSA-N 1 0 296.842 3.269 20 10 CGCDRO CC(C)[N@H+](C)Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232198466 818275699 /nfs/dbraw/zinc/27/56/99/818275699.db2.gz SUVQGTYNRZURKR-UHFFFAOYSA-N 1 0 282.815 3.017 20 10 CGCDRO CC[N@H+](Cc1ccccn1)Cc1cc(Cl)c(O)cc1O ZINC001232262169 818295975 /nfs/dbraw/zinc/29/59/75/818295975.db2.gz BCRWIAJKWVDRMS-UHFFFAOYSA-N 1 0 292.766 3.168 20 10 CGCDRO CC[N@H+](Cc1cc(Cl)c(OC)cc1O)C(C)C ZINC001232263861 818297112 /nfs/dbraw/zinc/29/71/12/818297112.db2.gz DYCSVUPASQYNBS-UHFFFAOYSA-N 1 0 257.761 3.285 20 10 CGCDRO CCC[N@H+](CC)Cc1cc(Cl)c(OC)cc1O ZINC001232263683 818297968 /nfs/dbraw/zinc/29/79/68/818297968.db2.gz DBGFURICPWDBQS-UHFFFAOYSA-N 1 0 257.761 3.286 20 10 CGCDRO Cc1c(Cl)nccc1C[N@H+](C)Cc1ccccc1O ZINC001232758560 818434201 /nfs/dbraw/zinc/43/42/01/818434201.db2.gz ZOEVGPZIBREKRN-UHFFFAOYSA-N 1 0 276.767 3.381 20 10 CGCDRO Cc1ccc2c(c1)CC[N@@H+](Cc1ccc(N(C)C)cc1O)C2 ZINC001232841487 818453671 /nfs/dbraw/zinc/45/36/71/818453671.db2.gz IHSOIIUHELWOSK-UHFFFAOYSA-N 1 0 296.414 3.325 20 10 CGCDRO CC[C@H]1c2ccccc2CCN1Cc1cc(O)c(O)c(O)c1 ZINC001233015292 818501993 /nfs/dbraw/zinc/50/19/93/818501993.db2.gz ITKQEXXWGLHCFR-HNNXBMFYSA-N 1 0 299.370 3.313 20 10 CGCDRO CN(CC[NH+]1CCCC1)Cc1cc(C(C)(C)C)ccc1O ZINC001233286020 818568477 /nfs/dbraw/zinc/56/84/77/818568477.db2.gz BDNSDBWMYAWNDV-UHFFFAOYSA-N 1 0 290.451 3.217 20 10 CGCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@H](c3ccccc3)C2)cc1O ZINC001233484931 818625629 /nfs/dbraw/zinc/62/56/29/818625629.db2.gz CKFNEEZAMPXVLJ-AWEZNQCLSA-N 1 0 299.370 3.183 20 10 CGCDRO COc1ccc2ccc(O)c(C[N@@H+]3C[C@@H]4C[C@@H]4C3)c2c1 ZINC001234525757 818874727 /nfs/dbraw/zinc/87/47/27/818874727.db2.gz JIZVVUSXDHAWTE-BETUJISGSA-N 1 0 269.344 3.006 20 10 CGCDRO CC[NH+]1CCN(c2ccc(OC3CC(F)(F)C3)cc2)CC1 ZINC001234657764 818908133 /nfs/dbraw/zinc/90/81/33/818908133.db2.gz HUIZVMQBEMXOAM-UHFFFAOYSA-N 1 0 296.361 3.005 20 10 CGCDRO CCN1CC[NH+](Cc2cccc(-c3ccccc3)c2O)CC1 ZINC001234992739 818969181 /nfs/dbraw/zinc/96/91/81/818969181.db2.gz QYGFQZWYJCEBNE-UHFFFAOYSA-N 1 0 296.414 3.197 20 10 CGCDRO C[C@@H]1C[C@H](O)CC[N@@H+]1Cc1cccc(-c2ccccc2)c1O ZINC001234993744 818972560 /nfs/dbraw/zinc/97/25/60/818972560.db2.gz BDBQSDBGDCDXMG-RHSMWYFYSA-N 1 0 297.398 3.404 20 10 CGCDRO Oc1c(C[N@@H+]2C[C@@H]3CCO[C@@H]3C2)cccc1-c1ccccc1 ZINC001234997220 818973082 /nfs/dbraw/zinc/97/30/82/818973082.db2.gz VRUSNTRJJMXXDE-MAUKXSAKSA-N 1 0 295.382 3.280 20 10 CGCDRO CC(C)(C)c1ccc(O)c(CN2CCCCC23C[NH2+]C3)c1 ZINC001235101487 819001061 /nfs/dbraw/zinc/00/10/61/819001061.db2.gz GXFGXESAPBZJPT-UHFFFAOYSA-N 1 0 288.435 3.018 20 10 CGCDRO C[C@@H]1C[NH2+][C@@H](C)CN1Cc1cccc(-c2ccccc2)c1O ZINC001235449662 819101348 /nfs/dbraw/zinc/10/13/48/819101348.db2.gz FWQHQLWOPPJQSK-LSDHHAIUSA-N 1 0 296.414 3.241 20 10 CGCDRO C[C@H]1CC[C@@H](CO)C[N@@H+]1Cc1ccc(C(C)(C)C)cc1O ZINC001235676045 819136845 /nfs/dbraw/zinc/13/68/45/819136845.db2.gz OEWWALBZVOJAFP-UONOGXRCSA-N 1 0 291.435 3.283 20 10 CGCDRO C[C@H]1COCC[N@H+](Cc2ccc(C(C)(C)C)cc2O)C1 ZINC001235676750 819137397 /nfs/dbraw/zinc/13/73/97/819137397.db2.gz SVKQOEINJSUNSD-CYBMUJFWSA-N 1 0 277.408 3.158 20 10 CGCDRO CO[C@H](C)C1C[NH+](Cc2ccc(C(C)(C)C)cc2O)C1 ZINC001235681583 819139652 /nfs/dbraw/zinc/13/96/52/819139652.db2.gz NTFPFFSPNXIDCC-GFCCVEGCSA-N 1 0 277.408 3.156 20 10 CGCDRO CCCN(Cc1ccc(C(C)C)cc1O)[C@@H]1CC[NH2+]C1 ZINC001236323624 819425853 /nfs/dbraw/zinc/42/58/53/819425853.db2.gz HVSTZCGAORCPQF-MRXNPFEDSA-N 1 0 276.424 3.090 20 10 CGCDRO Cc1cc(F)cc(CN(CC(C)C)[C@@H]2CCC[NH2+]C2)c1O ZINC001236478656 819495108 /nfs/dbraw/zinc/49/51/08/819495108.db2.gz KEVNKZFTZZAXKH-MRXNPFEDSA-N 1 0 294.414 3.050 20 10 CGCDRO CCc1ccc(C[N@@H+]2CC[C@@H](c3ccncc3)C2)c(O)c1 ZINC001236790333 819595027 /nfs/dbraw/zinc/59/50/27/819595027.db2.gz WDEYMRZLSMVFJN-MRXNPFEDSA-N 1 0 282.387 3.339 20 10 CGCDRO CCc1ccc(C[NH+]2CCC(SC)CC2)c(O)c1 ZINC001236794777 819598236 /nfs/dbraw/zinc/59/82/36/819598236.db2.gz OKDSIQSPKJNIAU-UHFFFAOYSA-N 1 0 265.422 3.282 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CCCCC[C@@H]2C)c(O)c1 ZINC001236812902 819604456 /nfs/dbraw/zinc/60/44/56/819604456.db2.gz HDOMTKWFUSFPKZ-ZDUSSCGKSA-N 1 0 263.381 3.474 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CCC[C@@H](C)[C@@H]2C)c(O)c1 ZINC001236813366 819604962 /nfs/dbraw/zinc/60/49/62/819604962.db2.gz JCWZFLKCRVVCKE-YPMHNXCESA-N 1 0 263.381 3.330 20 10 CGCDRO Oc1cc2ccccc2cc1C[N@@H+]1CCc2cccnc2C1 ZINC001236838126 819616185 /nfs/dbraw/zinc/61/61/85/819616185.db2.gz VGXVVNUDLYJJHX-UHFFFAOYSA-N 1 0 290.366 3.499 20 10 CGCDRO CC[N@H+](CCn1cccn1)Cc1ccc(C(C)C)cc1O ZINC001237050233 819652983 /nfs/dbraw/zinc/65/29/83/819652983.db2.gz ZUPCSQSZLXPUBB-UHFFFAOYSA-N 1 0 287.407 3.234 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2CCC[C@H](N(C)C)C2)c(O)c1 ZINC001237053899 819653615 /nfs/dbraw/zinc/65/36/15/819653615.db2.gz QRSLHAKCHPNTLO-INIZCTEOSA-N 1 0 276.424 3.042 20 10 CGCDRO Oc1ccc(F)c(Cl)c1C[NH+]1CCC(CF)CC1 ZINC001237125802 819673169 /nfs/dbraw/zinc/67/31/69/819673169.db2.gz FJNQXJMPAOIAFS-UHFFFAOYSA-N 1 0 275.726 3.366 20 10 CGCDRO CCO[C@H]1CCC[N@H+](Cc2c(O)ccc(F)c2Cl)C1 ZINC001237124451 819673539 /nfs/dbraw/zinc/67/35/39/819673539.db2.gz LUSGMCZUKJJQJF-JTQLQIEISA-N 1 0 287.762 3.186 20 10 CGCDRO Oc1cccc(Cl)c1CN(C1CCC1)[C@H]1CCC[NH2+]C1 ZINC001237153021 819681067 /nfs/dbraw/zinc/68/10/67/819681067.db2.gz AZELWZABFKPAIQ-ZDUSSCGKSA-N 1 0 294.826 3.152 20 10 CGCDRO Cc1cccc(O)c1CN1CC[C@H](C)C(F)(F)C1 ZINC001237486255 819762142 /nfs/dbraw/zinc/76/21/42/819762142.db2.gz ZRZBBFAYYUGOHG-NSHDSACASA-N 1 0 255.308 3.178 20 10 CGCDRO Cc1cccc(O)c1C[N@H+](Cc1ccccc1)CC(C)(C)O ZINC001237492474 819763669 /nfs/dbraw/zinc/76/36/69/819763669.db2.gz QVEPSIUMRWPYCT-UHFFFAOYSA-N 1 0 299.414 3.474 20 10 CGCDRO Cc1cccc(O[C@@H]2CC[N@H+](Cc3c(C)cccc3O)C2)n1 ZINC001237496477 819764008 /nfs/dbraw/zinc/76/40/08/819764008.db2.gz YTZDYZTWPZQNKF-OAHLLOKOSA-N 1 0 298.386 3.057 20 10 CGCDRO COc1cc(C[N@@H+]2CC[C@H](C)C[C@@H]2C)c(O)c(OC)c1 ZINC001237677071 819803100 /nfs/dbraw/zinc/80/31/00/819803100.db2.gz WPAGCYAGWHOLFF-RYUDHWBXSA-N 1 0 279.380 3.030 20 10 CGCDRO Cc1cc(Cl)cc(C[NH+]2CCC(F)CC2)c1O ZINC001237680524 819807423 /nfs/dbraw/zinc/80/74/23/819807423.db2.gz COOOEJROLQXPON-UHFFFAOYSA-N 1 0 257.736 3.288 20 10 CGCDRO Cc1cc(F)cc(C[N@@H+]2CCC(F)(F)[C@@H](C)C2)c1O ZINC001238056393 819918767 /nfs/dbraw/zinc/91/87/67/819918767.db2.gz HZAFBLZTRKFFPR-JTQLQIEISA-N 1 0 273.298 3.317 20 10 CGCDRO Cc1cc(F)cc(C[NH+]2CCC(F)(F)CC2)c1O ZINC001238057289 819919295 /nfs/dbraw/zinc/91/92/95/819919295.db2.gz KAYJHPJJEXIOKM-UHFFFAOYSA-N 1 0 259.271 3.071 20 10 CGCDRO COc1c(C[N@H+](C)Cc2ccccc2O)ccc(F)c1F ZINC001238470448 820013179 /nfs/dbraw/zinc/01/31/79/820013179.db2.gz UZVQFHGAEJBTCV-UHFFFAOYSA-N 1 0 293.313 3.311 20 10 CGCDRO CN(C)c1ccc(C2=CCC[NH2+]C2)c(C(F)(F)F)c1 ZINC001240663627 821225519 /nfs/dbraw/zinc/22/55/19/821225519.db2.gz AOGMCXBYCOCEMM-UHFFFAOYSA-N 1 0 270.298 3.148 20 10 CGCDRO C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001341567843 936442696 /nfs/dbraw/zinc/44/26/96/936442696.db2.gz OOBHPZBSWLLBNE-MAUKXSAKSA-N 1 0 288.435 3.022 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]CCCC(F)F)c1O ZINC001350635688 936997054 /nfs/dbraw/zinc/99/70/54/936997054.db2.gz GCGDDNBMLPQGBU-SECBINFHSA-N 1 0 259.296 3.097 20 10 CGCDRO COC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccc(C)c(C)c2O)C1 ZINC001350637019 936997307 /nfs/dbraw/zinc/99/73/07/936997307.db2.gz VVPMWDVWJOCPMT-MCIONIFRSA-N 1 0 291.391 3.001 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)S3)c1O ZINC001352775332 937049074 /nfs/dbraw/zinc/04/90/74/937049074.db2.gz JMVGMGLQWMZEJI-WODVXLOZSA-N 1 0 293.432 3.478 20 10 CGCDRO Nc1ccc(C[N@@H+]2CCCc3sccc3C2)cc1 ZINC001352787084 937049685 /nfs/dbraw/zinc/04/96/85/937049685.db2.gz CHLRXXKVIASECZ-UHFFFAOYSA-N 1 0 258.390 3.279 20 10 CGCDRO Cc1ccccc1[C@@H]1C[N@H+](Cc2ccc(N)cc2)CCO1 ZINC001356083664 937152805 /nfs/dbraw/zinc/15/28/05/937152805.db2.gz XCNKYVAWBRNMLM-SFHVURJKSA-N 1 0 282.387 3.151 20 10 CGCDRO CCOCCC[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2C ZINC000019963056 928046644 /nfs/dbraw/zinc/04/66/44/928046644.db2.gz LOCAPTMEDHAVMB-QWHCGFSZSA-N 1 0 263.381 3.265 20 10 CGCDRO CC(C)CCOCC[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000045094208 928212290 /nfs/dbraw/zinc/21/22/90/928212290.db2.gz BTRVWXFPLGVTLV-UHFFFAOYSA-N 1 0 290.451 3.439 20 10 CGCDRO CCC[C@@H](C[N@H+](CC)Cc1ccc(N(C)C)cc1)OC ZINC001560724682 937236808 /nfs/dbraw/zinc/23/68/08/937236808.db2.gz RIJCRXBICOGIHP-KRWDZBQOSA-N 1 0 278.440 3.390 20 10 CGCDRO CS[C@@H]1CC[C@@H]([N@H+](C)Cc2ccc(N(C)C)cc2)C1 ZINC001323324501 928519930 /nfs/dbraw/zinc/51/99/30/928519930.db2.gz WGGMNZYHOGFINX-HZPDHXFCSA-N 1 0 278.465 3.469 20 10 CGCDRO COc1cc(C)c(C[N@H+](C)[C@@H]2CC[C@@H](SC)C2)c(O)c1 ZINC001308597339 928533938 /nfs/dbraw/zinc/53/39/38/928533938.db2.gz SAVDTBOVXMICBD-TZMCWYRMSA-N 1 0 295.448 3.425 20 10 CGCDRO Cc1ccccc1C[C@H](C)[NH2+]Cc1ccccc1O ZINC000037777062 928693568 /nfs/dbraw/zinc/69/35/68/928693568.db2.gz AQEWUOJABKGHLV-AWEZNQCLSA-N 1 0 255.361 3.421 20 10 CGCDRO COc1ccc(C[N@H+](C)CCCc2ccccc2)c(O)c1 ZINC000179317300 932015395 /nfs/dbraw/zinc/01/53/95/932015395.db2.gz FWPSWMLRQCEMMK-UHFFFAOYSA-N 1 0 285.387 3.465 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@H](C)CCOC)cc1C ZINC001461131909 937565018 /nfs/dbraw/zinc/56/50/18/937565018.db2.gz YRGGSQMVRVJSHQ-CQSZACIVSA-N 1 0 265.397 3.298 20 10 CGCDRO C[C@@H]1CC[N@H+](C/C=C\c2ccc(N(C)C)cc2)[C@H]1C ZINC001461884357 937603688 /nfs/dbraw/zinc/60/36/88/937603688.db2.gz AJFYWVWYNXMATK-JGUVHBTRSA-N 1 0 258.409 3.496 20 10 CGCDRO CCC[N@H+](Cc1cn(C2CC2)cn1)Cc1ccccc1O ZINC001461960530 937609340 /nfs/dbraw/zinc/60/93/40/937609340.db2.gz RLLWUQHGGXVEFJ-UHFFFAOYSA-N 1 0 285.391 3.336 20 10 CGCDRO CCC[C@H]1CN(C/C=C/c2ccc(N(C)C)cc2)CCO1 ZINC001461963810 937609419 /nfs/dbraw/zinc/60/94/19/937609419.db2.gz WVAJAKNANPCBHH-FZMUQLTDSA-N 1 0 288.435 3.267 20 10 CGCDRO CCSCCC[NH2+]Cc1ccc(Cl)cc1O ZINC001462137032 937620032 /nfs/dbraw/zinc/62/00/32/937620032.db2.gz LRUIIZSNKORMFX-UHFFFAOYSA-N 1 0 259.802 3.278 20 10 CGCDRO CC[C@]1(CO)CCC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001462130548 937620202 /nfs/dbraw/zinc/62/02/02/937620202.db2.gz WLIOFAMDDJVHNZ-HNNXBMFYSA-N 1 0 283.799 3.030 20 10 CGCDRO COC1(C[NH2+][C@H](C)Cc2ccc(N(C)C)cc2C)CCC1 ZINC001462353771 937634995 /nfs/dbraw/zinc/63/49/95/937634995.db2.gz GHJAIHZPRWPZJO-OAHLLOKOSA-N 1 0 290.451 3.151 20 10 CGCDRO CO[C@H](C[NH2+]Cc1ccc(N(C)C)cc1C)CC(C)C ZINC001462356659 937635098 /nfs/dbraw/zinc/63/50/98/937635098.db2.gz LMXOTHRDKMFNNX-KRWDZBQOSA-N 1 0 278.440 3.212 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2noc3cc(F)ccc32)c(O)c1 ZINC001462526620 937648122 /nfs/dbraw/zinc/64/81/22/937648122.db2.gz ADTZZCPOKUOMDC-UHFFFAOYSA-N 1 0 286.306 3.271 20 10 CGCDRO Cc1ccc(OCC[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC001308189547 933069726 /nfs/dbraw/zinc/06/97/26/933069726.db2.gz UVRRXDZTOPDDJN-UHFFFAOYSA-N 1 0 297.398 3.489 20 10 CGCDRO COc1cc(C)c(C[N@H+](C)[C@H]2CC[C@@H](SC)C2)c(O)c1 ZINC001308597336 933139365 /nfs/dbraw/zinc/13/93/65/933139365.db2.gz SAVDTBOVXMICBD-GXTWGEPZSA-N 1 0 295.448 3.425 20 10 CGCDRO CO[C@@H]1CC[N@H+](Cc2cc(C(C)C)ccc2O)C[C@H]1C ZINC001308774963 933173952 /nfs/dbraw/zinc/17/39/52/933173952.db2.gz XAIGEMZHLZTJQD-CXAGYDPISA-N 1 0 277.408 3.372 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]Cc1cc(F)cnc1Cl ZINC001308782103 933174859 /nfs/dbraw/zinc/17/48/59/933174859.db2.gz KOKUTDCTDGFDGY-UHFFFAOYSA-N 1 0 284.693 3.009 20 10 CGCDRO CCOC1(C)CC[NH+](Cc2c(C)cc(OC)cc2O)CC1 ZINC001308790160 933177604 /nfs/dbraw/zinc/17/76/04/933177604.db2.gz NZMNVRIZRQXFIE-UHFFFAOYSA-N 1 0 293.407 3.100 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+][C@@H]2CCS[C@@H]2C)c1 ZINC001308848262 933188713 /nfs/dbraw/zinc/18/87/13/933188713.db2.gz HHKQCDLGOZWUNG-BXUZGUMPSA-N 1 0 265.422 3.499 20 10 CGCDRO CC[C@@H]1C[N@H+](C/C=C/c2ccc(N(C)C)cc2)[C@@H](C)CO1 ZINC001308848296 933188936 /nfs/dbraw/zinc/18/89/36/933188936.db2.gz KZELVXRUAPKCRN-XDWWLABZSA-N 1 0 288.435 3.265 20 10 CGCDRO COc1ccc(N(C)CC2CCC(OC)CC2)cc1 ZINC001308852414 933190916 /nfs/dbraw/zinc/19/09/16/933190916.db2.gz YJSFYFPNPHXITF-UHFFFAOYSA-N 1 0 263.381 3.337 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2cc(F)ccc2O)cc1[N+](=O)[O-] ZINC001308904379 933200388 /nfs/dbraw/zinc/20/03/88/933200388.db2.gz UBDVJMFRZAZAFT-UHFFFAOYSA-N 1 0 290.294 3.038 20 10 CGCDRO Oc1cc(Cl)ccc1C[NH2+]C[C@@H]1CC[C@@H](C2CC2)O1 ZINC001308961665 933215075 /nfs/dbraw/zinc/21/50/75/933215075.db2.gz ZVPGSXJYHGYCHY-ZFWWWQNUSA-N 1 0 281.783 3.093 20 10 CGCDRO CC[N@@H+](Cc1ccc(N2CCCC2)cc1)C[C@@H]1CCCO1 ZINC001319706153 933920177 /nfs/dbraw/zinc/92/01/77/933920177.db2.gz WLEWVJIVOPEAOI-SFHVURJKSA-N 1 0 288.435 3.288 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCCC[C@H]1N(C)C)c1ccccc1O ZINC001320410069 934044427 /nfs/dbraw/zinc/04/44/27/934044427.db2.gz IDECKYQIRWWZMR-HRCADAONSA-N 1 0 276.424 3.306 20 10 CGCDRO C[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1cc(F)cc(F)c1[O-] ZINC001325341470 934905845 /nfs/dbraw/zinc/90/58/45/934905845.db2.gz WIFRWFVYOSHQKF-NSHDSACASA-N 1 0 298.377 3.053 20 10 CGCDRO N[C@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC001326076876 934949560 /nfs/dbraw/zinc/94/95/60/934949560.db2.gz RKRRVIHHCMPVHE-LJQANCHMSA-N 1 0 295.430 3.076 20 10 CGCDRO C[C@@H]1CCC[C@@H](C[NH2+]Cc2ccc(N3CCCC3)cc2)O1 ZINC001327254344 935049050 /nfs/dbraw/zinc/04/90/50/935049050.db2.gz LGPRVFSVWXGBFY-QAPCUYQASA-N 1 0 288.435 3.334 20 10 CGCDRO CC[C@@H]([NH2+]CCCC[NH3+])c1ccc(Cl)c(Cl)c1[O-] ZINC001327840085 935089749 /nfs/dbraw/zinc/08/97/49/935089749.db2.gz MGAAEAGXMARHPB-LLVKDONJSA-N 1 0 291.222 3.479 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC001329588989 935231338 /nfs/dbraw/zinc/23/13/38/935231338.db2.gz UCNUGWVBMGHGCU-PAPYEOQZSA-N 1 0 287.403 3.142 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC001330354357 935286432 /nfs/dbraw/zinc/28/64/32/935286432.db2.gz MLVBERIZWVZIDQ-BRGRDHQOSA-N 1 0 299.414 3.262 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1C[C@H](C)n2ncnc21 ZINC001333321375 935526064 /nfs/dbraw/zinc/52/60/64/935526064.db2.gz JAMWSPUPUOORIV-MROQNXINSA-N 1 0 298.390 3.136 20 10 CGCDRO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1ccc(N)cc1 ZINC001334774206 936113010 /nfs/dbraw/zinc/11/30/10/936113010.db2.gz GUNQZFSQMYXYNO-CYBMUJFWSA-N 1 0 270.376 3.437 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]Cc1csc(N)n1 ZINC001335252461 936135913 /nfs/dbraw/zinc/13/59/13/936135913.db2.gz ILGPPMITIVGBJR-KOLCDFICSA-N 1 0 289.404 3.077 20 10 CGCDRO Nc1ccc(C[N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)cc1 ZINC001336117484 936176706 /nfs/dbraw/zinc/17/67/06/936176706.db2.gz NLUKLTFPUZYFRZ-QGZVFWFLSA-N 1 0 286.350 3.061 20 10 CGCDRO C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC001337800261 936290016 /nfs/dbraw/zinc/29/00/16/936290016.db2.gz MKBIVROGZREWGI-MNOVXSKESA-N 1 0 297.370 3.302 20 10 CGCDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)CN1C1CC1 ZINC001474066518 937838733 /nfs/dbraw/zinc/83/87/33/937838733.db2.gz YNESTRNVJXQELK-DOTOQJQBSA-N 1 0 299.462 3.002 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@H]2C[C@@H](O)C2(C)C)cc1C ZINC001474119638 937841019 /nfs/dbraw/zinc/84/10/19/937841019.db2.gz KSRNSAWGUSAQBC-JKSUJKDBSA-N 1 0 277.408 3.033 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+][C@H]3CCC[C@H](C)C3)C2)cc1 ZINC001474206052 937844218 /nfs/dbraw/zinc/84/42/18/937844218.db2.gz SXZICYQEOGUYFS-JYJNAYRXSA-N 1 0 288.435 3.442 20 10 CGCDRO CCCC[N@H+](C)Cc1cc(F)c(N(C)C)cc1F ZINC001474400416 937857713 /nfs/dbraw/zinc/85/77/13/937857713.db2.gz RRIQKTWTFWKEEJ-UHFFFAOYSA-N 1 0 256.340 3.263 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](C)Cc2cccc(C)c2)c(O)c1 ZINC001474473651 937862045 /nfs/dbraw/zinc/86/20/45/937862045.db2.gz YFVWRTAXGWVVLN-AWEZNQCLSA-N 1 0 285.387 3.430 20 10 CGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@@H]1C[C@@H](C)n2ccnc21 ZINC001474494987 937863419 /nfs/dbraw/zinc/86/34/19/937863419.db2.gz HZGHPOFGYPAKJA-CZUORRHYSA-N 1 0 284.407 3.264 20 10 CGCDRO C[C@H]1CC(C)(C)C[N@@H+]1Cc1cc(F)cc(F)c1[O-] ZINC001474582973 937868440 /nfs/dbraw/zinc/86/84/40/937868440.db2.gz VDDAZUJLKNWLQG-VIFPVBQESA-N 1 0 255.308 3.291 20 10 CGCDRO Cc1ccc(C[NH2+]C2(CO)CCCCCCC2)c(O)c1 ZINC001474673381 937874316 /nfs/dbraw/zinc/87/43/16/937874316.db2.gz ASGQFOMBUFFXRK-UHFFFAOYSA-N 1 0 277.408 3.266 20 10 CGCDRO CC[C@H](C[NH2+]Cc1ccc(C)cc1O)C(=O)OC(C)(C)C ZINC001474715350 937876805 /nfs/dbraw/zinc/87/68/05/937876805.db2.gz GOVIEHDBXIDGFD-CYBMUJFWSA-N 1 0 293.407 3.158 20 10 CGCDRO CO[C@@H]1[C@@H](C)[C@H]([NH2+]Cc2ccc(N(C)C)c(C)c2)C1(C)C ZINC001559847737 938237232 /nfs/dbraw/zinc/23/72/32/938237232.db2.gz ZRHSOZNGYGMBDF-RRQGHBQHSA-N 1 0 290.451 3.210 20 10 CGCDRO CCN(C)c1ccc(C[NH2+][C@H](CCO)C2CCCC2)cc1 ZINC001560176065 938246035 /nfs/dbraw/zinc/24/60/35/938246035.db2.gz MPCURKBCVWFVON-GOSISDBHSA-N 1 0 290.451 3.174 20 10 CGCDRO COc1ccc(C[NH2+]C2([C@@H]3CCCO3)CCC2)cc1C ZINC001560226963 938247905 /nfs/dbraw/zinc/24/79/05/938247905.db2.gz FBIMMWDCSFQPGE-INIZCTEOSA-N 1 0 275.392 3.195 20 10 CGCDRO CCO[C@H](CC[NH2+]Cc1ccc2c(c1)CCO2)C(C)C ZINC001560366774 938255619 /nfs/dbraw/zinc/25/56/19/938255619.db2.gz PGVJQFVOODVZRG-MRXNPFEDSA-N 1 0 277.408 3.162 20 10 CGCDRO COc1cc(C)c(C[NH2+]C[C@@H]2CCCCS2)c(O)c1 ZINC001560704685 938271329 /nfs/dbraw/zinc/27/13/29/938271329.db2.gz PRCXOZMOEUKLCQ-ZDUSSCGKSA-N 1 0 281.421 3.085 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2cc3ccccc3n2C)c1 ZINC001560938153 938285300 /nfs/dbraw/zinc/28/53/00/938285300.db2.gz XFGZCLXPLJWWCB-UHFFFAOYSA-N 1 0 280.371 3.482 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]C[C@H]1C[C@@H]1C1CCCC1 ZINC001561051909 938291769 /nfs/dbraw/zinc/29/17/69/938291769.db2.gz MKZMERCGWNLPOD-IUODEOHRSA-N 1 0 263.356 3.447 20 10 CGCDRO CCCOc1ccc(CN[C@@]23CCC[C@@H]2[NH2+]CC3)cc1C ZINC001577586594 962551790 /nfs/dbraw/zinc/55/17/90/962551790.db2.gz YYDBYZQRZUJYEC-ZWKOTPCHSA-N 1 0 288.435 3.158 20 10 CGCDRO CCN(CC[NH2+]Cc1ccc(N)cc1)c1cccc(C)c1 ZINC001577725939 962566391 /nfs/dbraw/zinc/56/63/91/962566391.db2.gz XKLFFHNIWHBKMI-UHFFFAOYSA-N 1 0 283.419 3.193 20 10 CGCDRO Nc1ccc(C[NH2+]C[C@@H](c2ccccc2)N2CCCC2)cc1 ZINC001580445749 962726132 /nfs/dbraw/zinc/72/61/32/962726132.db2.gz UBFOTPCAPPIWJK-IBGZPJMESA-N 1 0 295.430 3.196 20 10 CGCDRO C[N@H+](Cc1cc(-c2ccccc2)ccc1O)CC(C)(C)O ZINC000093414510 345877843 /nfs/dbraw/zinc/87/78/43/345877843.db2.gz SJUNJUPRWJEVCN-UHFFFAOYSA-N 1 0 285.387 3.262 20 10 CGCDRO CN(C)c1ccccc1C[NH2+]Cc1c(O)cccc1Cl ZINC000265891964 346407720 /nfs/dbraw/zinc/40/77/20/346407720.db2.gz ZEBZBIVIDPHSFV-UHFFFAOYSA-N 1 0 290.794 3.401 20 10 CGCDRO CC[C@@H]([NH2+][C@H](CCO)C(C)C)c1ccc(N(C)C)cc1 ZINC000123629931 370912958 /nfs/dbraw/zinc/91/29/58/370912958.db2.gz RYKAQVYSZJDZQJ-IAGOWNOFSA-N 1 0 278.440 3.200 20 10 CGCDRO CC(C)N(CC[NH2+][C@H](C)c1ccccc1O)C(C)C ZINC000019901022 368777505 /nfs/dbraw/zinc/77/75/05/368777505.db2.gz XFSPRVBFWHTBBZ-CQSZACIVSA-N 1 0 264.413 3.162 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccccc2F)c1 ZINC000019950194 368789437 /nfs/dbraw/zinc/78/94/37/368789437.db2.gz XGFZWBYNXGELQW-NSHDSACASA-N 1 0 275.323 3.391 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CCc2ccccn2)cc1 ZINC000020089229 368799623 /nfs/dbraw/zinc/79/96/23/368799623.db2.gz VAADUMZXGUAJIE-UHFFFAOYSA-N 1 0 283.419 3.260 20 10 CGCDRO COc1ccc(C[NH2+]Cc2ccccc2F)cc1C ZINC000035052614 368993991 /nfs/dbraw/zinc/99/39/91/368993991.db2.gz SPAFQXABXMQIPN-UHFFFAOYSA-N 1 0 259.324 3.433 20 10 CGCDRO Cc1cccc([C@@H](O)C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000090520243 370062124 /nfs/dbraw/zinc/06/21/24/370062124.db2.gz ILNYMBHBWDXANN-KXBFYZLASA-N 1 0 298.430 3.445 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](COC)C1CC1)c1ccc(N(C)C)cc1 ZINC000090717403 370064411 /nfs/dbraw/zinc/06/44/11/370064411.db2.gz BVFRQBOSIOBAQK-SJORKVTESA-N 1 0 276.424 3.218 20 10 CGCDRO C[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)C[C@@H]1n1ccnc1 ZINC000091959663 370083267 /nfs/dbraw/zinc/08/32/67/370083267.db2.gz OCJJORYFYOMFEH-YJBOKZPZSA-N 1 0 298.434 3.032 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCO[C@@H](c3cccs3)C2)c1 ZINC000092594646 370097712 /nfs/dbraw/zinc/09/77/12/370097712.db2.gz FOQAJIZLBLLUCH-OAHLLOKOSA-N 1 0 289.400 3.336 20 10 CGCDRO COc1cccc(C[NH+]2CCC(OC(C)(C)C)CC2)c1O ZINC000092454284 370097767 /nfs/dbraw/zinc/09/77/67/370097767.db2.gz SBENOFZQQYJQSC-UHFFFAOYSA-N 1 0 293.407 3.180 20 10 CGCDRO CCOc1cccc(C[NH2+]C[C@H]2CCCSC2)c1O ZINC000288387681 371736173 /nfs/dbraw/zinc/73/61/73/371736173.db2.gz GQWYBCULKZYMLK-GFCCVEGCSA-N 1 0 281.421 3.024 20 10 CGCDRO Cc1cccc(C[N@H+]2CCCCC[C@@H]2C[C@H](C)O)c1O ZINC000289233009 371752765 /nfs/dbraw/zinc/75/27/65/371752765.db2.gz DDMDOROSNMHABD-GOEBONIOSA-N 1 0 277.408 3.216 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCOC(C)(C)C2)c1 ZINC000159954895 372197436 /nfs/dbraw/zinc/19/74/36/372197436.db2.gz GRGPZDXTMGZMSR-OLZOCXBDSA-N 1 0 263.381 3.309 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCOC(C)(C)C2)c(O)c1 ZINC000159972587 372200500 /nfs/dbraw/zinc/20/05/00/372200500.db2.gz UHUNUFNPUQXPGC-STQMWFEESA-N 1 0 263.381 3.309 20 10 CGCDRO CC(C)[C@@]1(CO)CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000294136380 372591577 /nfs/dbraw/zinc/59/15/77/372591577.db2.gz USYPTYWDMAXUMY-INIZCTEOSA-N 1 0 297.826 3.276 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cnccc1OC)c1ccc(N(C)C)cc1 ZINC000293979875 372544683 /nfs/dbraw/zinc/54/46/83/372544683.db2.gz BHHMUCXMQJBQSL-QGZVFWFLSA-N 1 0 299.418 3.397 20 10 CGCDRO CCOC1CC(CC[NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000296287048 373079765 /nfs/dbraw/zinc/07/97/65/373079765.db2.gz CYFWZAKCXMCAIA-ZALBZXLWSA-N 1 0 275.392 3.174 20 10 CGCDRO CCOC[C@@H]([NH2+][C@H]1CCc2cccc(O)c21)C(C)C ZINC000296360693 373103621 /nfs/dbraw/zinc/10/36/21/373103621.db2.gz HZPJGJVLLFXAJM-UONOGXRCSA-N 1 0 263.381 3.030 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCc2ncccc2C)c(O)c1 ZINC000296259411 373072811 /nfs/dbraw/zinc/07/28/11/373072811.db2.gz DEHCGQFGSCFWJT-CQSZACIVSA-N 1 0 270.376 3.297 20 10 CGCDRO CSC(C)(C)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297537895 373273289 /nfs/dbraw/zinc/27/32/89/373273289.db2.gz DXKQATPNAOVZMU-NSHDSACASA-N 1 0 251.395 3.111 20 10 CGCDRO C[C@H](C[C@@H](O)c1ccccc1)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296933103 373252424 /nfs/dbraw/zinc/25/24/24/373252424.db2.gz QBOHLDUJZGKGTP-MZMPZRCHSA-N 1 0 297.398 3.481 20 10 CGCDRO Cc1noc(C)c1C[C@H](C)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297883411 373284092 /nfs/dbraw/zinc/28/40/92/373284092.db2.gz VDRXPRXRFKVRIE-BONVTDFDSA-N 1 0 286.375 3.205 20 10 CGCDRO Cn1cc(C[N@H+](C)Cc2ccccc2O)c(C(C)(C)C)n1 ZINC000179770648 373914708 /nfs/dbraw/zinc/91/47/08/373914708.db2.gz YLGJVSSQFPPFCK-UHFFFAOYSA-N 1 0 287.407 3.055 20 10 CGCDRO Cc1cccc(C[N@H+](C)Cc2ccccc2O)c1O ZINC000179770418 373915327 /nfs/dbraw/zinc/91/53/27/373915327.db2.gz NIJCMZYWZUTATB-UHFFFAOYSA-N 1 0 257.333 3.038 20 10 CGCDRO CCCO[C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)CC1 ZINC000180135631 373968280 /nfs/dbraw/zinc/96/82/80/373968280.db2.gz ZYMFAXFVWLXRGX-OAHLLOKOSA-N 1 0 281.371 3.312 20 10 CGCDRO CC[C@H]([NH2+]C[C@H](O)c1ccccc1C)c1ccccc1O ZINC000183349439 374403309 /nfs/dbraw/zinc/40/33/09/374403309.db2.gz IZEYBATZDWSWBG-WMZOPIPTSA-N 1 0 285.387 3.475 20 10 CGCDRO C[C@@H]([NH2+][C@H](Cc1ccccc1)CN(C)C)c1ccccc1O ZINC000183435147 374413679 /nfs/dbraw/zinc/41/36/79/374413679.db2.gz LIYHTNIHTBCFAX-NVXWUHKLSA-N 1 0 298.430 3.216 20 10 CGCDRO CO[C@@H](C[NH2+][C@H](C)c1ccccc1O)c1ccccc1 ZINC000183436911 374413732 /nfs/dbraw/zinc/41/37/32/374413732.db2.gz HHBWDECAXOPTAO-DYVFJYSZSA-N 1 0 271.360 3.431 20 10 CGCDRO COC[C@@H]([NH2+][C@@H](C)c1ccccc1O)c1ccccc1 ZINC000183604618 374432021 /nfs/dbraw/zinc/43/20/21/374432021.db2.gz VROWJNIDCSLAID-XJKSGUPXSA-N 1 0 271.360 3.431 20 10 CGCDRO COCCC(C)(C)C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000183943218 374475597 /nfs/dbraw/zinc/47/55/97/374475597.db2.gz UGLGLJFIIJWFHJ-NSHDSACASA-N 1 0 269.360 3.245 20 10 CGCDRO C[C@@H](C[NH2+][C@@H](C)c1cc(F)ccc1O)c1nccs1 ZINC000186751840 374911836 /nfs/dbraw/zinc/91/18/36/374911836.db2.gz ZFYMMSSHOAZBQU-UWVGGRQHSA-N 1 0 280.368 3.442 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(F)c(F)c1[O-] ZINC000187747728 375085250 /nfs/dbraw/zinc/08/52/50/375085250.db2.gz JBDAKRCSUUYBTF-WOPDTQHZSA-N 1 0 298.377 3.194 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)[C@@H](C)OC)c1ccc(N(C)C)cc1 ZINC000191641205 375645897 /nfs/dbraw/zinc/64/58/97/375645897.db2.gz ADTXNLHCMZMTBS-ZENOOKHLSA-N 1 0 264.413 3.217 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCOC[C@H]2C)cc1F ZINC000191758057 375659633 /nfs/dbraw/zinc/65/96/33/375659633.db2.gz YAJUORRQQKNFRV-CZUORRHYSA-N 1 0 294.414 3.187 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCOC[C@H]2C)cc1F ZINC000191758071 375659865 /nfs/dbraw/zinc/65/98/65/375659865.db2.gz YAJUORRQQKNFRV-CJNGLKHVSA-N 1 0 294.414 3.187 20 10 CGCDRO CC1(C)C[C@H]([NH2+]Cc2c(O)cccc2Cl)CCO1 ZINC000228085017 376426128 /nfs/dbraw/zinc/42/61/28/376426128.db2.gz KAWOOZOSDMFFNY-SNVBAGLBSA-N 1 0 269.772 3.093 20 10 CGCDRO CO[C@@]1(C)CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000230300126 376500185 /nfs/dbraw/zinc/50/01/85/376500185.db2.gz VBGISYXYEREQNU-AWEZNQCLSA-N 1 0 269.772 3.047 20 10 CGCDRO C[C@H](c1ccccc1)[N@H+](CCCO)Cc1ccccc1O ZINC000268320319 378053129 /nfs/dbraw/zinc/05/31/29/378053129.db2.gz RQLLHWHZCALTMP-OAHLLOKOSA-N 1 0 285.387 3.338 20 10 CGCDRO C[C@@H](O)CC[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000268866764 378135270 /nfs/dbraw/zinc/13/52/70/378135270.db2.gz HJTBEUADLSHDJB-CABCVRRESA-N 1 0 276.424 3.098 20 10 CGCDRO CC[C@@H](O)CC[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000269005817 378172576 /nfs/dbraw/zinc/17/25/76/378172576.db2.gz LFIGDSMIQJKXFC-MAUKXSAKSA-N 1 0 290.451 3.489 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)c1 ZINC000270653029 378382844 /nfs/dbraw/zinc/38/28/44/378382844.db2.gz MLSBVELEAOGUQY-GDBMZVCRSA-N 1 0 277.408 3.384 20 10 CGCDRO CC[C@@H]([NH2+]Cc1c[nH]nc1C)c1ccc(N(C)C)cc1 ZINC000271536800 378498007 /nfs/dbraw/zinc/49/80/07/378498007.db2.gz SWHUCOJFZAFVEE-MRXNPFEDSA-N 1 0 272.396 3.025 20 10 CGCDRO C[C@H]([NH2+]Cc1ccccc1N(C)C)c1ccccc1O ZINC000271693286 378501229 /nfs/dbraw/zinc/50/12/29/378501229.db2.gz RUQMVESPVNMTCA-ZDUSSCGKSA-N 1 0 270.376 3.309 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1ccccc1O ZINC000271733447 378503282 /nfs/dbraw/zinc/50/32/82/378503282.db2.gz SXZKPCRAYNKIQA-WBVHZDCISA-N 1 0 289.350 3.306 20 10 CGCDRO Cc1cccc(C[NH2+][C@](C)(CO)C2CCCCC2)c1O ZINC000271850069 378510119 /nfs/dbraw/zinc/51/01/19/378510119.db2.gz STKSHDHWUYVNRW-QGZVFWFLSA-N 1 0 277.408 3.122 20 10 CGCDRO C[C@H]([NH2+][C@H]1CC1(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000272105425 378563713 /nfs/dbraw/zinc/56/37/13/378563713.db2.gz XSWBRQMNBDQXON-LRDDRELGSA-N 1 0 292.398 3.111 20 10 CGCDRO C[C@H](Cn1ccnc1)[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000273430373 378745028 /nfs/dbraw/zinc/74/50/28/378745028.db2.gz VKQYDPHRPCTPKQ-ZIAGYGMSSA-N 1 0 299.418 3.207 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCn2cnc3ccccc32)c1 ZINC000273432877 378746022 /nfs/dbraw/zinc/74/60/22/378746022.db2.gz WICFUXLPSUKWJK-AWEZNQCLSA-N 1 0 295.386 3.401 20 10 CGCDRO CO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccc(C)cc1O ZINC000273618347 378757875 /nfs/dbraw/zinc/75/78/75/378757875.db2.gz YFWJGOFFYIJRGX-XNRPHZJLSA-N 1 0 263.381 3.309 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)[C@@H]2CCCCO2)c1 ZINC000273508851 378750371 /nfs/dbraw/zinc/75/03/71/378750371.db2.gz RLOFLLDEQAATGU-MKBNYLNASA-N 1 0 279.380 3.009 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1cc2c(cc1O)CCCC2 ZINC000273544102 378752836 /nfs/dbraw/zinc/75/28/36/378752836.db2.gz YZXIVIGYCCWHGL-XJKCOSOUSA-N 1 0 289.419 3.489 20 10 CGCDRO CC(C)[C@@H](CCO)[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000273596466 378755750 /nfs/dbraw/zinc/75/57/50/378755750.db2.gz QVNKDWYDAFBCEW-ZWNOBZJWSA-N 1 0 271.788 3.103 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](C)C[C@H](C)O)c(O)c1C ZINC000273615564 378755822 /nfs/dbraw/zinc/75/58/22/378755822.db2.gz XDWOZUDRTPZQDL-OSMZGAPFSA-N 1 0 265.397 3.067 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+][C@H]1CCO[C@@H](C2CC2)C1 ZINC000274035270 378767373 /nfs/dbraw/zinc/76/73/73/378767373.db2.gz BWYHDICNUNRJPR-XHDPSFHLSA-N 1 0 281.783 3.093 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H](CCO)C(C)(C)C)c(O)c1C ZINC000273753767 378758953 /nfs/dbraw/zinc/75/89/53/378758953.db2.gz PGFBLWMXTPZSKE-DZGCQCFKSA-N 1 0 279.424 3.457 20 10 CGCDRO C[C@H](CCC1CC1)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000274382530 378824058 /nfs/dbraw/zinc/82/40/58/378824058.db2.gz JDHCBNARGKLCKI-OAHLLOKOSA-N 1 0 288.435 3.192 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](CO)CC1CCC1)c1ccc(C)cc1O ZINC000281201506 379822087 /nfs/dbraw/zinc/82/20/87/379822087.db2.gz SCDXEDSXMOGTKQ-GDBMZVCRSA-N 1 0 277.408 3.292 20 10 CGCDRO CCSCCC[NH2+][C@H](C)c1cc(F)ccc1O ZINC000282442207 379922028 /nfs/dbraw/zinc/92/20/28/379922028.db2.gz DWPNQOBNZAWTAD-SNVBAGLBSA-N 1 0 257.374 3.325 20 10 CGCDRO CCC(CC)(CCO)[NH2+]Cc1ccc(OC)c(C)c1 ZINC000282986994 380019672 /nfs/dbraw/zinc/01/96/72/380019672.db2.gz MOFNQUOBXXOFEE-UHFFFAOYSA-N 1 0 265.397 3.034 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)CSC)c1ccc(F)cc1[O-] ZINC000286244558 380181299 /nfs/dbraw/zinc/18/12/99/380181299.db2.gz UDGJANDYXQSIEG-SKDRFNHKSA-N 1 0 257.374 3.324 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCOCC3(CCCC3)C2)c1O ZINC000364326806 382268960 /nfs/dbraw/zinc/26/89/60/382268960.db2.gz HZMFBRLHFKJNRH-UHFFFAOYSA-N 1 0 275.392 3.093 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)c1ccc(C)cc1O ZINC000366442028 382308354 /nfs/dbraw/zinc/30/83/54/382308354.db2.gz DVCLXTVWIVYVKX-HIFRSBDPSA-N 1 0 285.391 3.022 20 10 CGCDRO CCC[C@H](CCO)C[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000185605369 262061739 /nfs/dbraw/zinc/06/17/39/262061739.db2.gz LSZWNNAUARPJBX-VXGBXAGGSA-N 1 0 285.815 3.495 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1cnn(C)c1 ZINC000122916235 392425038 /nfs/dbraw/zinc/42/50/38/392425038.db2.gz JJBXGTVHCAXNHE-KRWDZBQOSA-N 1 0 298.434 3.043 20 10 CGCDRO CC[C@@H]([NH2+][C@H](C)CC[NH+](C)C)c1cccc(Cl)c1[O-] ZINC000287617019 392403386 /nfs/dbraw/zinc/40/33/86/392403386.db2.gz JQOCWWBOVUARAG-BXUZGUMPSA-N 1 0 284.831 3.427 20 10 CGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H](C)c1cnccn1 ZINC000358997422 393533410 /nfs/dbraw/zinc/53/34/10/393533410.db2.gz WWGHBROYIKEUCP-ZDUSSCGKSA-N 1 0 280.375 3.128 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2cccnc2)c1 ZINC000020127699 171014085 /nfs/dbraw/zinc/01/40/85/171014085.db2.gz DIOGBOWWXOQRIO-NWDGAFQWSA-N 1 0 272.348 3.208 20 10 CGCDRO C[C@H]([NH2+]C[C@@H](c1cccs1)N(C)C)c1ccccc1O ZINC000020147609 171034301 /nfs/dbraw/zinc/03/43/01/171034301.db2.gz WWQDQRNFJIQONG-JSGCOSHPSA-N 1 0 290.432 3.407 20 10 CGCDRO C[C@H]([NH2+][C@H]1C[C@H](O)C1(C)C)c1ccc2ccccc2c1O ZINC000128093835 260371797 /nfs/dbraw/zinc/37/17/97/260371797.db2.gz YFNIJCNUTGHFQK-UVBJJODRSA-N 1 0 285.387 3.355 20 10 CGCDRO CC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000154460477 261091588 /nfs/dbraw/zinc/09/15/88/261091588.db2.gz FRRDFEWYFFMGGN-CRAIPNDOSA-N 1 0 290.451 3.489 20 10 CGCDRO Cc1noc(C)c1CC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000155960357 261110508 /nfs/dbraw/zinc/11/05/08/261110508.db2.gz HBCGLAQOVLPSPB-GFCCVEGCSA-N 1 0 287.407 3.251 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)c2ccccc2F)c1 ZINC000185095578 262041071 /nfs/dbraw/zinc/04/10/71/262041071.db2.gz SIPRUWMICNMUQS-YVEFUNNKSA-N 1 0 289.350 3.224 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1CCCOC1)c1cc2c(cc1O)CCCC2 ZINC000185090112 262041260 /nfs/dbraw/zinc/04/12/60/262041260.db2.gz BTVJLOAAASPJOX-KGLIPLIRSA-N 1 0 289.419 3.348 20 10 CGCDRO CC[C@@H](C)NC(=O)CC[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000185154774 262043792 /nfs/dbraw/zinc/04/37/92/262043792.db2.gz YXSHQQKGQKCVLF-MNOVXSKESA-N 1 0 298.814 3.001 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)C2CCCCC2)c1 ZINC000185327837 262050853 /nfs/dbraw/zinc/05/08/53/262050853.db2.gz SJVTUBDKMCOHCK-SUMWQHHRSA-N 1 0 277.408 3.292 20 10 CGCDRO CC[C@H](C)[C@H](O)C[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000185438411 262053950 /nfs/dbraw/zinc/05/39/50/262053950.db2.gz SMLIOXVBRINAKD-PKFCDNJMSA-N 1 0 271.788 3.103 20 10 CGCDRO Cc1ccccc1[C@@H](O)C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000185435926 262054244 /nfs/dbraw/zinc/05/42/44/262054244.db2.gz NSRVWAPLMQHCGL-PXAZEXFGSA-N 1 0 289.350 3.224 20 10 CGCDRO C[C@@H]([NH2+]C[C@@](C)(O)c1ccccc1)c1cc(F)ccc1O ZINC000185454773 262055092 /nfs/dbraw/zinc/05/50/92/262055092.db2.gz DVODQCBLLFRVMT-SJKOYZFVSA-N 1 0 289.350 3.090 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](CCO)CC(C)C)c(O)c1 ZINC000185615258 262062251 /nfs/dbraw/zinc/06/22/51/262062251.db2.gz PPPWXLRVGXVKGG-HUUCEWRRSA-N 1 0 279.424 3.396 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@]2(C)CCCC[C@@H]2O)c(O)c1 ZINC000185644283 262063709 /nfs/dbraw/zinc/06/37/09/262063709.db2.gz TVAJSEXIEITNDG-COXVUDFISA-N 1 0 277.408 3.292 20 10 CGCDRO C[C@H]([NH2+]Cc1ccccc1O)[C@H](c1ccccc1)N(C)C ZINC000185679649 262066098 /nfs/dbraw/zinc/06/60/98/262066098.db2.gz RTLAOROBNMKPNE-KBXCAEBGSA-N 1 0 284.403 3.173 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CC(C)(C)OC2(C)C)c1 ZINC000186499873 262095346 /nfs/dbraw/zinc/09/53/46/262095346.db2.gz LAKHBRYXLFUUHW-ABAIWWIYSA-N 1 0 293.407 3.398 20 10 CGCDRO C[C@@H]([NH2+][C@@H](CCO)c1ccco1)c1cc(Cl)ccc1O ZINC000186558635 262098825 /nfs/dbraw/zinc/09/88/25/262098825.db2.gz CRPWLENWWKRMGF-MFKMUULPSA-N 1 0 295.766 3.413 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C2CCOCC2)c(O)c1 ZINC000185783129 262308685 /nfs/dbraw/zinc/30/86/85/262308685.db2.gz BJHPBIXJGQCYFL-QWHCGFSZSA-N 1 0 263.381 3.166 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](O)CC2)cc1F ZINC000294114725 265007749 /nfs/dbraw/zinc/00/77/49/265007749.db2.gz SVBGLSHNLDAUCR-OAHLLOKOSA-N 1 0 294.414 3.019 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C/C=C(\C)Cl)c1 ZINC000528437487 270165515 /nfs/dbraw/zinc/16/55/15/270165515.db2.gz NUTRTXWFYLVVSK-ZKXNXJMVSA-N 1 0 255.745 3.194 20 10 CGCDRO COC(C)(C)C[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000020524679 277177260 /nfs/dbraw/zinc/17/72/60/277177260.db2.gz WBIYPCDBKUZTRK-CYBMUJFWSA-N 1 0 264.413 3.046 20 10 CGCDRO CC(C)[C@H](O)C[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000268966209 328187495 /nfs/dbraw/zinc/18/74/95/328187495.db2.gz YUVHBCVFNAQRNR-CRAIPNDOSA-N 1 0 290.451 3.344 20 10 CGCDRO C[C@H](CCO)C1(C[NH2+]Cc2ccc(N(C)C)cc2)CCC1 ZINC000271805783 328197390 /nfs/dbraw/zinc/19/73/90/328197390.db2.gz JTMATUSPFUTVSW-OAHLLOKOSA-N 1 0 290.451 3.031 20 10 CGCDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)c2cc(C)ccc2O)C1 ZINC000281013971 328238214 /nfs/dbraw/zinc/23/82/14/328238214.db2.gz LPJXTILJDSEDEL-MCIONIFRSA-N 1 0 291.391 3.083 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCC(F)(F)[C@@H](C)C2)c1O ZINC000291536841 328264703 /nfs/dbraw/zinc/26/47/03/328264703.db2.gz KXIQVJBJKBXBNU-NSHDSACASA-N 1 0 255.308 3.178 20 10 CGCDRO COc1cccc(C[NH2+][C@H](C)CC(C)(C)C)c1O ZINC000296131854 327088280 /nfs/dbraw/zinc/08/82/80/327088280.db2.gz UPBJZQXIUNCERU-LLVKDONJSA-N 1 0 251.370 3.315 20 10 CGCDRO COc1ccc(O)c(C[NH2+]CC2(c3ccccn3)CCC2)c1 ZINC000377703661 329025880 /nfs/dbraw/zinc/02/58/80/329025880.db2.gz QMUGSYDMGJGTOQ-UHFFFAOYSA-N 1 0 298.386 3.007 20 10 CGCDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000377835657 329031274 /nfs/dbraw/zinc/03/12/74/329031274.db2.gz VPWSUHOYQXICLE-KBPBESRZSA-N 1 0 293.382 3.170 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)cc1 ZINC000378339084 329046672 /nfs/dbraw/zinc/04/66/72/329046672.db2.gz DMDDRXMCXGTDGP-QGZVFWFLSA-N 1 0 288.435 3.001 20 10 CGCDRO COc1cc(O)c(C[NH2+]CC23CCC(CC2)C3)cc1OC ZINC000360039535 329070296 /nfs/dbraw/zinc/07/02/96/329070296.db2.gz KKXSKHIRXSKZPB-UHFFFAOYSA-N 1 0 291.391 3.079 20 10 CGCDRO C[C@@H]([NH2+]C[C@]1(C)COc2ccccc2O1)c1ccccc1O ZINC000527931072 330297346 /nfs/dbraw/zinc/29/73/46/330297346.db2.gz JMBXDJHACWJAHV-FZKQIMNGSA-N 1 0 299.370 3.273 20 10 CGCDRO CCO[C@@]1(C)C[C@H]1[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000527980501 330298147 /nfs/dbraw/zinc/29/81/47/330298147.db2.gz QCFKPFITLKJDES-FZQKWOKYSA-N 1 0 269.772 3.264 20 10 CGCDRO COc1ccc(O)c(C[NH+]2CCC(C(F)(F)F)CC2)c1 ZINC000156053843 330715730 /nfs/dbraw/zinc/71/57/30/330715730.db2.gz LKKCHLDGJMHOSQ-UHFFFAOYSA-N 1 0 289.297 3.175 20 10 CGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H](C)c1ccncn1 ZINC000453216124 331102548 /nfs/dbraw/zinc/10/25/48/331102548.db2.gz LHFUZKGLXPRZPR-CYBMUJFWSA-N 1 0 280.375 3.128 20 10 CGCDRO CC(C)Oc1cccc(C[NH2+]Cc2ccccc2O)c1 ZINC000134226673 334084743 /nfs/dbraw/zinc/08/47/43/334084743.db2.gz JEOSZFIPQHALRN-UHFFFAOYSA-N 1 0 271.360 3.469 20 10 CGCDRO C[C@H]([NH2+]CC1CC1)c1cc(Br)ccc1O ZINC000134911905 334108169 /nfs/dbraw/zinc/10/81/69/334108169.db2.gz HPLKOFCURSVYSF-QMMMGPOBSA-N 1 0 270.170 3.215 20 10 CGCDRO CO[C@@H](C[NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(C)C ZINC000268891608 334718005 /nfs/dbraw/zinc/71/80/05/334718005.db2.gz DCIKSQLWBJJJPE-BBRMVZONSA-N 1 0 264.413 3.074 20 10 CGCDRO CC[NH+](CC)[C@@H](C(=O)Nc1ccc(N)cc1)c1ccccc1 ZINC000237041367 520820353 /nfs/dbraw/zinc/82/03/53/520820353.db2.gz MXHPIXNSQBBILY-QGZVFWFLSA-N 1 0 297.402 3.290 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H](C)CC(C)C)c1O ZINC000037264284 521367779 /nfs/dbraw/zinc/36/77/79/521367779.db2.gz VQDHBAYNBAMANB-LBPRGKRZSA-N 1 0 251.370 3.315 20 10 CGCDRO CCOC(C)(C)C[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000275712220 521627180 /nfs/dbraw/zinc/62/71/80/521627180.db2.gz MJZUWNGDRSGSRU-ZDUSSCGKSA-N 1 0 265.397 3.475 20 10 CGCDRO CCC[N@H+](Cc1ccc(OC)nc1)Cc1ccccc1O ZINC000085791591 521684201 /nfs/dbraw/zinc/68/42/01/521684201.db2.gz DNOMKQJEGDLZCM-UHFFFAOYSA-N 1 0 286.375 3.208 20 10 CGCDRO CCC[N@H+](Cc1cccnc1)Cc1ccccc1O ZINC000076073981 521690772 /nfs/dbraw/zinc/69/07/72/521690772.db2.gz YUKZYMMZIFIXIP-UHFFFAOYSA-N 1 0 256.349 3.199 20 10 CGCDRO C[NH+](C)CCN(Cc1cccs1)Cc1ccccc1O ZINC000289408078 521752801 /nfs/dbraw/zinc/75/28/01/521752801.db2.gz HKPYSNMFIGTUMV-UHFFFAOYSA-N 1 0 290.432 3.018 20 10 CGCDRO CN(C)c1ccc(C[NH2+]Cc2ccc(C(C)(C)O)cc2)cc1 ZINC000187505582 522208504 /nfs/dbraw/zinc/20/85/04/522208504.db2.gz QZSGNEOYJIBJLY-UHFFFAOYSA-N 1 0 298.430 3.270 20 10 CGCDRO CN(C)c1cccc(C[N@H+](C)Cc2ccccc2O)c1 ZINC000072629588 522265648 /nfs/dbraw/zinc/26/56/48/522265648.db2.gz SMYCRSAQYWXCTF-UHFFFAOYSA-N 1 0 270.376 3.090 20 10 CGCDRO CC[C@H]([NH2+]CCCn1ccnc1C)c1ccc(C)cc1O ZINC000280079191 522590022 /nfs/dbraw/zinc/59/00/22/522590022.db2.gz LQLJZNIMZUZQPV-INIZCTEOSA-N 1 0 287.407 3.337 20 10 CGCDRO CC[C@H]([NH2+]C[C@H](C)N(C)C1CC1)c1ccc(C)cc1O ZINC000280142458 522626797 /nfs/dbraw/zinc/62/67/97/522626797.db2.gz PUBPXGVFNPZVAH-BBRMVZONSA-N 1 0 276.424 3.224 20 10 CGCDRO COCC(C)(C)C[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000293301482 522813140 /nfs/dbraw/zinc/81/31/40/522813140.db2.gz DTYHMBFRMXZUCM-JTQLQIEISA-N 1 0 271.788 3.369 20 10 CGCDRO CC[C@@H]([NH2+]CCc1nccnc1C)c1ccc(N(C)C)cc1 ZINC000294948037 522844882 /nfs/dbraw/zinc/84/48/82/522844882.db2.gz IKDIIBSTJHQEBC-QGZVFWFLSA-N 1 0 298.434 3.134 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H]1COC2(CCCC2)O1)c1ccccc1O ZINC000274804914 522866409 /nfs/dbraw/zinc/86/64/09/522866409.db2.gz WHQXMDGFBDXBFN-DZGCQCFKSA-N 1 0 291.391 3.119 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cc(C)no1)c1ccc(N(C)C)cc1 ZINC000125591658 522868317 /nfs/dbraw/zinc/86/83/17/522868317.db2.gz VJYSVRZJDPICTA-MRXNPFEDSA-N 1 0 273.380 3.290 20 10 CGCDRO CC[C@@H]([NH2+]Cc1nccs1)c1ccc(C)cc1O ZINC000279996202 522895299 /nfs/dbraw/zinc/89/52/99/522895299.db2.gz FQLYFSXLIANRPZ-GFCCVEGCSA-N 1 0 262.378 3.398 20 10 CGCDRO COCc1nc(C[NH2+][C@H](C)c2ccc(C)cc2O)cs1 ZINC000289717061 523204811 /nfs/dbraw/zinc/20/48/11/523204811.db2.gz JKSOUDJCPSDDNC-LLVKDONJSA-N 1 0 292.404 3.154 20 10 CGCDRO CO[C@H](C)C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000276214095 523884361 /nfs/dbraw/zinc/88/43/61/523884361.db2.gz PPWBSIOLXBUDSD-CYBMUJFWSA-N 1 0 271.360 3.184 20 10 CGCDRO C[NH+](C)CCCC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000045663465 524052784 /nfs/dbraw/zinc/05/27/84/524052784.db2.gz OBLZOPGVKVZWMB-UHFFFAOYSA-N 1 0 291.222 3.130 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)o1 ZINC000058474852 524582083 /nfs/dbraw/zinc/58/20/83/524582083.db2.gz QYMVBOHPUNEVFW-UHFFFAOYSA-N 1 0 262.328 3.083 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C2CC(c3ccccc3)C2)c1 ZINC000126443929 524750144 /nfs/dbraw/zinc/75/01/44/524750144.db2.gz VCZMLWYWMNGAEB-UHFFFAOYSA-N 1 0 283.371 3.437 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCCO[C@@H]2CC(C)C)c1 ZINC000187680304 524752251 /nfs/dbraw/zinc/75/22/51/524752251.db2.gz ADEPVLBDJKHMHQ-NVXWUHKLSA-N 1 0 293.407 3.084 20 10 CGCDRO Cc1ccc(F)c(C[NH2+]Cc2ccc(N(C)C)cc2)c1 ZINC000116912506 524808809 /nfs/dbraw/zinc/80/88/09/524808809.db2.gz ZOCQTJPGSVUTIO-UHFFFAOYSA-N 1 0 272.367 3.490 20 10 CGCDRO C[C@H]([NH2+]C[C@@H](O)Cc1ccccc1)c1ccc(N(C)C)cc1 ZINC000132035931 525380427 /nfs/dbraw/zinc/38/04/27/525380427.db2.gz SPNRURREEJPFEX-KXBFYZLASA-N 1 0 298.430 3.007 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1COc2ccccc21)c1cc(F)ccc1O ZINC000290286711 525422877 /nfs/dbraw/zinc/42/28/77/525422877.db2.gz MNARDBJLVOCTKW-RYUDHWBXSA-N 1 0 287.334 3.358 20 10 CGCDRO C[C@@H]([NH2+]CCc1cccc(F)c1)c1ccccc1O ZINC000036778740 525462826 /nfs/dbraw/zinc/46/28/26/525462826.db2.gz ZFJVQLVZKPRLAV-GFCCVEGCSA-N 1 0 259.324 3.425 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H](O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000037257324 525477836 /nfs/dbraw/zinc/47/78/36/525477836.db2.gz FDLRUDVQIADEPV-RDTXWAMCSA-N 1 0 284.403 3.137 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H](c1ccco1)N(C)C)c1cc(F)ccc1O ZINC000094616820 525478272 /nfs/dbraw/zinc/47/82/72/525478272.db2.gz AYBXUSHARSSMLZ-RISCZKNCSA-N 1 0 292.354 3.078 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCOC2(C)C)c(O)c1C ZINC000296359499 525749022 /nfs/dbraw/zinc/74/90/22/525749022.db2.gz IRMDYVZTXCMJDU-OCCSQVGLSA-N 1 0 263.381 3.227 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCN(C)C2CCCC2)c(O)c1 ZINC000071376786 525918525 /nfs/dbraw/zinc/91/85/25/525918525.db2.gz NHMRGRAKBGGUDT-AWEZNQCLSA-N 1 0 276.424 3.226 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]Cc2cc3c(cc2O)OCO3)cc1 ZINC000042880229 525928166 /nfs/dbraw/zinc/92/81/66/525928166.db2.gz SPNQUHFPVMLNBY-LBPRGKRZSA-N 1 0 285.343 3.280 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H](CO)Cc2ccccc2)c(O)c1C ZINC000275716263 525943329 /nfs/dbraw/zinc/94/33/29/525943329.db2.gz MXNNJVHRXIWOMO-RDJZCZTQSA-N 1 0 299.414 3.263 20 10 CGCDRO COc1cccc(C[N@@H+]2CC[C@H](CC(F)(F)F)C2)c1O ZINC000278444771 525952559 /nfs/dbraw/zinc/95/25/59/525952559.db2.gz WUHVJPBCWHFXJP-SNVBAGLBSA-N 1 0 289.297 3.175 20 10 CGCDRO COc1cccc(C[NH2+]Cc2ccc(F)c(C)c2)c1O ZINC000237220087 526022556 /nfs/dbraw/zinc/02/25/56/526022556.db2.gz CELISUAVQHBQMU-UHFFFAOYSA-N 1 0 275.323 3.138 20 10 CGCDRO COc1cccc(C[NH2+][C@@H](C)c2cc(F)ccc2O)c1 ZINC000094617619 526030953 /nfs/dbraw/zinc/03/09/53/526030953.db2.gz LUDAJFNNTSMOAX-NSHDSACASA-N 1 0 275.323 3.391 20 10 CGCDRO COc1cccc(C[NH2+][C@H](C)Cc2ccccc2C)c1O ZINC000037776985 526037038 /nfs/dbraw/zinc/03/70/38/526037038.db2.gz VEFGVFVBBWJLIO-CQSZACIVSA-N 1 0 285.387 3.430 20 10 CGCDRO Oc1ccc(F)cc1C[N@@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000290953953 526347578 /nfs/dbraw/zinc/34/75/78/526347578.db2.gz QXDNEJTWJUDTCK-HZPDHXFCSA-N 1 0 291.366 3.065 20 10 CGCDRO Oc1cccc(Cl)c1C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000129995433 526363310 /nfs/dbraw/zinc/36/33/10/526363310.db2.gz XIWOMEQVUPQNPQ-NSHDSACASA-N 1 0 281.783 3.047 20 10 CGCDRO c1cc(C[NH2+]Cc2ccc(N3CCCCC3)cc2)ccn1 ZINC000020140357 526428156 /nfs/dbraw/zinc/42/81/56/526428156.db2.gz NOEKZKHDXJCUJI-UHFFFAOYSA-N 1 0 281.403 3.362 20 10 CGCDRO CO[C@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000746754084 572894888 /nfs/dbraw/zinc/89/48/88/572894888.db2.gz KETCFHGQHPFIMY-OLZOCXBDSA-N 1 0 269.772 3.093 20 10 CGCDRO CCCC(O)(CCC)C[NH2+]Cc1ccc(OCC)cc1O ZINC000738435657 572375695 /nfs/dbraw/zinc/37/56/95/572375695.db2.gz IJRLDEMSYAVURZ-UHFFFAOYSA-N 1 0 295.423 3.212 20 10 CGCDRO CCCC(O)(CCC)C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000738440491 572376338 /nfs/dbraw/zinc/37/63/38/572376338.db2.gz UHXQZAVGFLYNID-UHFFFAOYSA-N 1 0 296.430 3.313 20 10 CGCDRO CCCC[N@H+](CCOC)Cc1cc2c(cc1O)CCC2 ZINC000731662484 572422312 /nfs/dbraw/zinc/42/23/12/572422312.db2.gz ORQREWRHXMVFBP-UHFFFAOYSA-N 1 0 277.408 3.129 20 10 CGCDRO CCC[C@](C)(O)C[NH2+]Cc1ccc(N(CC)CC)c(F)c1 ZINC000740007598 572428671 /nfs/dbraw/zinc/42/86/71/572428671.db2.gz VHMLGDPTFZIYGW-KRWDZBQOSA-N 1 0 296.430 3.313 20 10 CGCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]CCn1ccnc1 ZINC000725841545 572435718 /nfs/dbraw/zinc/43/57/18/572435718.db2.gz MYDNMXBHJQMXCO-UHFFFAOYSA-N 1 0 293.370 3.046 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@H](C)Cc2ccco2)c1 ZINC000725844297 572437487 /nfs/dbraw/zinc/43/74/87/572437487.db2.gz SZUGQHDQUSOEFV-GFCCVEGCSA-N 1 0 275.348 3.105 20 10 CGCDRO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)c1 ZINC000742166425 572557009 /nfs/dbraw/zinc/55/70/09/572557009.db2.gz MYUWZUYYQBTECU-OKILXGFUSA-N 1 0 289.419 3.483 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)[C@@H]1CCOC1 ZINC000742380433 572571081 /nfs/dbraw/zinc/57/10/81/572571081.db2.gz LOLHPHRGRPXHSH-SJLPKXTDSA-N 1 0 288.435 3.192 20 10 CGCDRO COc1cccc(C[NH2+]Cc2coc3ccccc23)c1O ZINC000734004149 572623184 /nfs/dbraw/zinc/62/31/84/572623184.db2.gz QGXBHCXMVUQXAN-UHFFFAOYSA-N 1 0 283.327 3.437 20 10 CGCDRO CCC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000743503120 572667783 /nfs/dbraw/zinc/66/77/83/572667783.db2.gz CDPQFZSQTBWQGA-UHFFFAOYSA-N 1 0 277.368 3.085 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](CO)[C@@H](C)c2ccccc2)cc1C ZINC000734846368 572687048 /nfs/dbraw/zinc/68/70/48/572687048.db2.gz SWJZCDZYAFZVSV-YJBOKZPZSA-N 1 0 299.414 3.258 20 10 CGCDRO CO[C@]1(C)C[C@H]([NH2+]Cc2c(O)cccc2Cl)C1(C)C ZINC000744448314 572753553 /nfs/dbraw/zinc/75/35/53/572753553.db2.gz IBYQQUHVMDVKPH-DZGCQCFKSA-N 1 0 283.799 3.339 20 10 CGCDRO COc1ccc(C[NH2+]CCCC(=O)OC(C)(C)C)cc1C ZINC000744450025 572753914 /nfs/dbraw/zinc/75/39/14/572753914.db2.gz JHCUYODEFBZOPI-UHFFFAOYSA-N 1 0 293.407 3.215 20 10 CGCDRO COCC[N@H+](Cc1cc2c(cc1O)CCC2)C1CCCC1 ZINC000747791492 572949431 /nfs/dbraw/zinc/94/94/31/572949431.db2.gz NGMAPQLRBDZFOA-UHFFFAOYSA-N 1 0 289.419 3.272 20 10 CGCDRO CC[C@H]1CC[C@H]1[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000806135396 617928359 /nfs/dbraw/zinc/92/83/59/617928359.db2.gz JNWKFTWMPOVYOF-GOEBONIOSA-N 1 0 258.409 3.347 20 10 CGCDRO COC[C@H]([NH2+]Cc1cc(Cl)ccc1O)c1ccco1 ZINC000177574396 617933267 /nfs/dbraw/zinc/93/32/67/617933267.db2.gz BAIDPPUMYNXRSD-LBPRGKRZSA-N 1 0 281.739 3.116 20 10 CGCDRO C[N@H+](Cc1cc2c(cc1O)CCCC2)[C@H]1CCSC1 ZINC000160499630 618079267 /nfs/dbraw/zinc/07/92/67/618079267.db2.gz AEDMGCJGRZXNLF-HNNXBMFYSA-N 1 0 277.433 3.208 20 10 CGCDRO CC(=O)c1cc(F)cc(C[N@@H+]2C[C@H](C)CC[C@@H]2C)c1O ZINC000088706191 618128968 /nfs/dbraw/zinc/12/89/68/618128968.db2.gz YLYXDCHCYZEDEI-MNOVXSKESA-N 1 0 279.355 3.354 20 10 CGCDRO Cc1cc(F)ccc1C[N@@H+](C)Cc1ccccc1O ZINC000091974436 618509699 /nfs/dbraw/zinc/50/96/99/618509699.db2.gz BWIHEXVBYIFFRB-UHFFFAOYSA-N 1 0 259.324 3.472 20 10 CGCDRO COc1cccc(C[N@H+](C)Cc2ccc(F)cc2)c1O ZINC000161148018 618582775 /nfs/dbraw/zinc/58/27/75/618582775.db2.gz SLSRENLWXHYXHL-UHFFFAOYSA-N 1 0 275.323 3.172 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cccc(C)n1)c1ccccc1O ZINC000051573800 618610462 /nfs/dbraw/zinc/61/04/62/618610462.db2.gz DFCAPVXYOJVLRS-OAHLLOKOSA-N 1 0 256.349 3.337 20 10 CGCDRO COc1ccc(C[NH2+]CCOc2cccc(C)c2)cc1C ZINC000049943289 618644954 /nfs/dbraw/zinc/64/49/54/618644954.db2.gz QYHYCZCEDCDJOH-UHFFFAOYSA-N 1 0 285.387 3.481 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@@H](C)O[C@H]2C)c(O)c1C ZINC000840871902 618733466 /nfs/dbraw/zinc/73/34/66/618733466.db2.gz HQISXMDMGSRLHC-UNQGMJICSA-N 1 0 277.408 3.473 20 10 CGCDRO Cc1ncc(C[N@@H+](C)Cc2cc(Cl)ccc2O)s1 ZINC000179382138 618780596 /nfs/dbraw/zinc/78/05/96/618780596.db2.gz BFGVAYTVJVPFLO-UHFFFAOYSA-N 1 0 282.796 3.443 20 10 CGCDRO CN(C)c1ccc(C[NH2+]Cc2cc(O)cc(Cl)c2)cc1 ZINC000892476243 618798546 /nfs/dbraw/zinc/79/85/46/618798546.db2.gz SCTKIIABYKPSOA-UHFFFAOYSA-N 1 0 290.794 3.401 20 10 CGCDRO Oc1ccccc1C[NH2+]Cc1ccc(Br)o1 ZINC000162936901 618884098 /nfs/dbraw/zinc/88/40/98/618884098.db2.gz MGEVCHBOYWTIEW-UHFFFAOYSA-N 1 0 282.137 3.038 20 10 CGCDRO COc1cc(Cl)cc(C[N@@H+]2C[C@H](C)C[C@@H]2C)c1O ZINC000169084460 618915616 /nfs/dbraw/zinc/91/56/16/618915616.db2.gz UNDOEAWMQTZYJS-ZJUUUORDSA-N 1 0 269.772 3.285 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000840894011 618942106 /nfs/dbraw/zinc/94/21/06/618942106.db2.gz OOLMZXBUYHTNMZ-YQQAZPJKSA-N 1 0 290.451 3.007 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H](C)c1cnccn1 ZINC000840895287 618961451 /nfs/dbraw/zinc/96/14/51/618961451.db2.gz WVVOWTJOVPVZEY-LSDHHAIUSA-N 1 0 298.434 3.133 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCC(F)(F)C2)c1 ZINC000312096716 619024339 /nfs/dbraw/zinc/02/43/39/619024339.db2.gz RWJCEHGXYFYQGA-NXEZZACHSA-N 1 0 271.307 3.239 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)C2CCCCC2)c(O)c1 ZINC000185328231 619060488 /nfs/dbraw/zinc/06/04/88/619060488.db2.gz DMYJOYDUGCQWCN-SUMWQHHRSA-N 1 0 277.408 3.292 20 10 CGCDRO COC1(CC[NH2+]Cc2cc(Cl)ccc2O)CCC1 ZINC000310782854 619093380 /nfs/dbraw/zinc/09/33/80/619093380.db2.gz FUYDDPCKLQVINB-UHFFFAOYSA-N 1 0 269.772 3.094 20 10 CGCDRO CC[C@@H]([NH2+][C@H](CO)Cc1ccc(C)cc1)c1ccccc1O ZINC000191578971 619111084 /nfs/dbraw/zinc/11/10/84/619111084.db2.gz CMPYUZMTTGEIET-FUHWJXTLSA-N 1 0 299.414 3.345 20 10 CGCDRO Cc1ncc(CC[NH2+]Cc2c(O)cc(C)cc2Cl)s1 ZINC000840908739 619116111 /nfs/dbraw/zinc/11/61/11/619116111.db2.gz ZUKRJHZLJZCINR-UHFFFAOYSA-N 1 0 296.823 3.451 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2cnccc2C)c1 ZINC000162666066 619125565 /nfs/dbraw/zinc/12/55/65/619125565.db2.gz PFRGWTJMRLRFHX-ZDUSSCGKSA-N 1 0 256.349 3.255 20 10 CGCDRO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000020090750 619133327 /nfs/dbraw/zinc/13/33/27/619133327.db2.gz LOORXFNTFGHTBC-QAPCUYQASA-N 1 0 288.435 3.192 20 10 CGCDRO Cc1cc(Br)cc(C[NH+]2CCCC2)c1O ZINC000162804850 619172276 /nfs/dbraw/zinc/17/22/76/619172276.db2.gz WSIGBSMHCVDMBK-UHFFFAOYSA-N 1 0 270.170 3.059 20 10 CGCDRO CCOC[C@@H]1CCCC[N@@H+]1Cc1cc(C)ccc1O ZINC000313464350 619173765 /nfs/dbraw/zinc/17/37/65/619173765.db2.gz AHFFIAQTZLUDIJ-HNNXBMFYSA-N 1 0 263.381 3.092 20 10 CGCDRO CCOC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000313480869 619175691 /nfs/dbraw/zinc/17/56/91/619175691.db2.gz GNFXQXBGFLPLQX-ZDUSSCGKSA-N 1 0 283.799 3.437 20 10 CGCDRO COc1ccc(C[N@H+](C)C[C@H]2CC=CCC2)c(O)c1OC ZINC000893522384 619202728 /nfs/dbraw/zinc/20/27/28/619202728.db2.gz SKGYEXZTGSEJAO-ZDUSSCGKSA-N 1 0 291.391 3.198 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2C[C@H](C)O[C@@H]2C)cc1 ZINC000840962420 619282118 /nfs/dbraw/zinc/28/21/18/619282118.db2.gz BMNJAOYBEOBLRN-UXLLHSPISA-N 1 0 290.451 3.436 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@@H]2CCC[C@@H](SC)C2)c1O ZINC000894261083 619450760 /nfs/dbraw/zinc/45/07/60/619450760.db2.gz SQZTXXBDUAAWHU-ZIAGYGMSSA-N 1 0 295.448 3.473 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@@H](C)c2ncc(C)s2)c1O ZINC000894323825 619491609 /nfs/dbraw/zinc/49/16/09/619491609.db2.gz PHILBTKRYKBQQS-NSHDSACASA-N 1 0 292.404 3.325 20 10 CGCDRO COc1cccc(C[NH2+]Cc2cc(C)cnc2Cl)c1O ZINC000894458412 619543472 /nfs/dbraw/zinc/54/34/72/619543472.db2.gz QQRBKYOLWDKFGZ-UHFFFAOYSA-N 1 0 292.766 3.047 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@@H](C)CCC2CC2)c1O ZINC000894476488 619548709 /nfs/dbraw/zinc/54/87/09/619548709.db2.gz AGJJIWMKVGIKRV-LBPRGKRZSA-N 1 0 263.381 3.378 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@H](C)[C@@](C)(OC)C2CC2)c1O ZINC000894993376 619692323 /nfs/dbraw/zinc/69/23/23/619692323.db2.gz QPNQYDQCDCCRLB-SJKOYZFVSA-N 1 0 293.407 3.002 20 10 CGCDRO COc1cc(C)cc(C[NH2+]C(C)(C)COC(C)C)c1O ZINC000895001597 619692791 /nfs/dbraw/zinc/69/27/91/619692791.db2.gz QXKIKOHAJSZJAZ-UHFFFAOYSA-N 1 0 281.396 3.002 20 10 CGCDRO COc1ccc(C[NH2+]Cc2ccc(C#N)cc2F)cc1C ZINC000237219844 619730187 /nfs/dbraw/zinc/73/01/87/619730187.db2.gz MTXJATLXVSTCGM-UHFFFAOYSA-N 1 0 284.334 3.304 20 10 CGCDRO COc1cc(C)cc(C[NH2+]C2(C3CCC3)CC2)c1O ZINC000895140755 619750979 /nfs/dbraw/zinc/75/09/79/619750979.db2.gz SJMZUQKGAQQLTL-UHFFFAOYSA-N 1 0 261.365 3.132 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@H](C)c2ccccc2O)c1O ZINC000895460719 619833536 /nfs/dbraw/zinc/83/35/36/619833536.db2.gz SYOKWISIWSIWNW-GFCCVEGCSA-N 1 0 287.359 3.266 20 10 CGCDRO Cc1noc2ncc(C[NH2+][C@@H](C)c3ccccc3O)cc12 ZINC000895460096 619833669 /nfs/dbraw/zinc/83/36/69/619833669.db2.gz JECVAORQBOOLNN-JTQLQIEISA-N 1 0 283.331 3.088 20 10 CGCDRO Cc1cc(F)ncc1C[NH2+][C@H](C)c1ccccc1O ZINC000895852151 619897594 /nfs/dbraw/zinc/89/75/94/619897594.db2.gz QAWFVXGMHJKQHE-LLVKDONJSA-N 1 0 260.312 3.086 20 10 CGCDRO Cc1cnc(C[NH2+][C@@H](C)c2cc(F)ccc2O)s1 ZINC000185569459 625385630 /nfs/dbraw/zinc/38/56/30/625385630.db2.gz TTWQOUORUNJGSI-VIFPVBQESA-N 1 0 266.341 3.147 20 10 CGCDRO Cc1ccc(C[NH2+][C@H]2CCS[C@H](C)C2)c(O)c1 ZINC000896950594 620111990 /nfs/dbraw/zinc/11/19/90/620111990.db2.gz DMQULTPQVLFWKR-YPMHNXCESA-N 1 0 251.395 3.074 20 10 CGCDRO Cc1ccc(C[NH2+]C[C@@]2(c3ccccc3)CCCO2)c(O)c1 ZINC000897233323 620166593 /nfs/dbraw/zinc/16/65/93/620166593.db2.gz MKKMBZQAVXIKHM-LJQANCHMSA-N 1 0 297.398 3.496 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000797904954 620238321 /nfs/dbraw/zinc/23/83/21/620238321.db2.gz SMLTVKXWVVJFMT-QWHCGFSZSA-N 1 0 251.757 3.324 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)[C@H](c2ccccc2)N(C)C)c1 ZINC000185678701 625412595 /nfs/dbraw/zinc/41/25/95/625412595.db2.gz SYHHNADRVRNTHE-HNAYVOBHSA-N 1 0 298.430 3.482 20 10 CGCDRO COc1cc(C)cc(C[NH2+]CC(C)(C)C2CC2)c1O ZINC000897435536 620327224 /nfs/dbraw/zinc/32/72/24/620327224.db2.gz MVOFWEHSCMQEEM-UHFFFAOYSA-N 1 0 263.381 3.235 20 10 CGCDRO Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841746196 620352262 /nfs/dbraw/zinc/35/22/62/620352262.db2.gz CXEHJCGYPKGZSG-VHSXEESVSA-N 1 0 293.798 3.499 20 10 CGCDRO C[C@@H]([NH2+][C@@H](CCO)c1ccco1)c1ccc(Cl)cc1O ZINC000841751687 620375249 /nfs/dbraw/zinc/37/52/49/620375249.db2.gz IQDVRAMIAPYVOP-MFKMUULPSA-N 1 0 295.766 3.413 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@]23C[C@H]2COC32CCC2)cc1C ZINC000898065392 620473796 /nfs/dbraw/zinc/47/37/96/620473796.db2.gz ILXIFDYNDFIYIN-DOTOQJQBSA-N 1 0 287.403 3.058 20 10 CGCDRO C[C@@H](C[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)C(C)(C)C ZINC000841043443 620540375 /nfs/dbraw/zinc/54/03/75/620540375.db2.gz RWXLLXRBWKHKHK-XJKSGUPXSA-N 1 0 277.456 3.024 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2cc(C3CC3)nn2C)c1 ZINC000927103055 620576187 /nfs/dbraw/zinc/57/61/87/620576187.db2.gz WWTYOVREVRKLKN-LBPRGKRZSA-N 1 0 285.391 3.162 20 10 CGCDRO Cc1nc(CC[NH2+][C@H](C)c2cc(F)ccc2O)sc1C ZINC000185798374 625443869 /nfs/dbraw/zinc/44/38/69/625443869.db2.gz QUJZQOKXPLNDDO-SNVBAGLBSA-N 1 0 294.395 3.498 20 10 CGCDRO CCO[C@@H]1CCC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000902784012 621439295 /nfs/dbraw/zinc/43/92/95/621439295.db2.gz MEWUJEHCCSKLGN-JKSUJKDBSA-N 1 0 275.392 3.059 20 10 CGCDRO Cn1cnc2cc(C[NH2+][C@H]3CCc4cccc(O)c43)ccc21 ZINC000903202822 621625362 /nfs/dbraw/zinc/62/53/62/621625362.db2.gz JSRDHFRXSKFVPP-AWEZNQCLSA-N 1 0 293.370 3.056 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2C[C@H]2[C@@H]2C[C@H]2C)c1 ZINC000903252599 621642586 /nfs/dbraw/zinc/64/25/86/621642586.db2.gz FHIYNSDFKXZQOS-DTFMEENKSA-N 1 0 261.365 3.096 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CC[C@@H]2CCCC[C@@H]2O)c(O)c1 ZINC000903263033 621648323 /nfs/dbraw/zinc/64/83/23/621648323.db2.gz INSSCOUNYYGTTH-DZKIICNBSA-N 1 0 277.408 3.292 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc3nonc3c2)c(O)c1C ZINC000903323576 621676970 /nfs/dbraw/zinc/67/69/70/621676970.db2.gz FHZJWCXUHCECFB-LBPRGKRZSA-N 1 0 297.358 3.396 20 10 CGCDRO COC(C)(C)[C@@H](C)[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000903333448 621689384 /nfs/dbraw/zinc/68/93/84/621689384.db2.gz ZTVWZRVZXACOCM-CHWSQXEVSA-N 1 0 265.397 3.473 20 10 CGCDRO CC[C@H]([NH2+][C@@H](c1ncccn1)C1CC1)c1ccccc1O ZINC000903326652 621700630 /nfs/dbraw/zinc/70/06/30/621700630.db2.gz MDZJBHOVWPKJCZ-GOEBONIOSA-N 1 0 283.375 3.374 20 10 CGCDRO CC[C@H]([NH2+]Cc1cn(C)cn1)c1cc(Cl)ccc1O ZINC000903353218 621710799 /nfs/dbraw/zinc/71/07/99/621710799.db2.gz ZSQFVAZLJPXCSA-ZDUSSCGKSA-N 1 0 279.771 3.020 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCOC12CCCC2)c1ccccc1O ZINC000903383482 621725008 /nfs/dbraw/zinc/72/50/08/621725008.db2.gz OZSQMRYRZXVZDM-WFASDCNBSA-N 1 0 261.365 3.145 20 10 CGCDRO CC[C@@H]([NH2+]CC[C@H](O)C1CC1)c1cc(Cl)ccc1O ZINC000903406195 621730224 /nfs/dbraw/zinc/73/02/24/621730224.db2.gz HIFBYHMPDRUOOI-KGLIPLIRSA-N 1 0 283.799 3.247 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCc2cccnc2C)c(O)c1 ZINC000903417288 621735877 /nfs/dbraw/zinc/73/58/77/621735877.db2.gz ZVBGYLMSGFJSRH-AWEZNQCLSA-N 1 0 270.376 3.297 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2COC[C@H]2C2CC2)c2c1c(F)ccc2O ZINC000903434696 621745681 /nfs/dbraw/zinc/74/56/81/621745681.db2.gz AJOBMUOIZBZMJY-DGFQIJBJSA-N 1 0 291.366 3.094 20 10 CGCDRO CC1(C)Nc2ccccc2[C@@H]1[NH2+]Cc1ccccc1O ZINC000903947591 621840259 /nfs/dbraw/zinc/84/02/59/621840259.db2.gz BTLRMWJRBVIRFP-INIZCTEOSA-N 1 0 268.360 3.427 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C[C@H]2CCCC[C@@H]2C)c1 ZINC000042857876 621863448 /nfs/dbraw/zinc/86/34/48/621863448.db2.gz AWLMONQIAZGTHP-QWHCGFSZSA-N 1 0 263.381 3.317 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@H+]2CCC[C@H]2c2ccnn2C)c1 ZINC000905741318 622103336 /nfs/dbraw/zinc/10/33/36/622103336.db2.gz MSRROCBQARLBLG-INIZCTEOSA-N 1 0 285.391 3.080 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1CCCS1)c1cc(F)ccc1O ZINC000149668928 622365602 /nfs/dbraw/zinc/36/56/02/622365602.db2.gz AYHOLYRQNJQUPJ-KOLCDFICSA-N 1 0 255.358 3.078 20 10 CGCDRO CCO[C@H]1C[C@@H]([NH2+][C@H](C)c2ccc(N(C)CC)cc2)C1 ZINC000840764796 625560938 /nfs/dbraw/zinc/56/09/38/625560938.db2.gz ZNOGBIGANVPWKV-UNEWFSDZSA-N 1 0 276.424 3.361 20 10 CGCDRO COc1cc(C)ccc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000151033758 622723628 /nfs/dbraw/zinc/72/36/28/622723628.db2.gz XGRCRVXPSDQRBN-UHFFFAOYSA-N 1 0 283.371 3.228 20 10 CGCDRO COc1ccc(C[NH2+][C@@](C)(CO)c2ccccc2)cc1C ZINC000227212350 623013007 /nfs/dbraw/zinc/01/30/07/623013007.db2.gz OTSLYIMCBMUYGO-SFHVURJKSA-N 1 0 285.387 3.001 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]C[C@H](C)C(C)C)c1O ZINC000228674824 623070210 /nfs/dbraw/zinc/07/02/10/623070210.db2.gz IQLQDJBIMHRTOX-JTQLQIEISA-N 1 0 271.788 3.436 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CC(CC)(CC)CO)cc1 ZINC000229210017 623106863 /nfs/dbraw/zinc/10/68/63/623106863.db2.gz IPHIVLSVDWFXMN-UHFFFAOYSA-N 1 0 292.467 3.421 20 10 CGCDRO C[N@H+](CCCCCO)Cc1ccc(N2CCCCC2)cc1 ZINC000171143456 623138309 /nfs/dbraw/zinc/13/83/09/623138309.db2.gz WOQFTYWTSJAKQH-UHFFFAOYSA-N 1 0 290.451 3.271 20 10 CGCDRO Cc1cccc(N2CC[NH+](Cc3ccccc3O)CC2)c1 ZINC000062183888 623205935 /nfs/dbraw/zinc/20/59/35/623205935.db2.gz HQZWOKLXVKUPMC-UHFFFAOYSA-N 1 0 282.387 3.023 20 10 CGCDRO C[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000230659813 623260892 /nfs/dbraw/zinc/26/08/92/623260892.db2.gz PPEDMWQZUWBBGJ-RDJZCZTQSA-N 1 0 288.435 3.049 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CS[C@@H](C(C)C)C2)c1 ZINC000754122076 623813164 /nfs/dbraw/zinc/81/31/64/623813164.db2.gz MQSFGQQFRDJXCD-SWLSCSKDSA-N 1 0 281.421 3.021 20 10 CGCDRO COc1cccc(C[NH2+]Cc2ccc3c(c2)CCCO3)c1 ZINC000921490367 624595838 /nfs/dbraw/zinc/59/58/38/624595838.db2.gz GXWCVRMIQKQWOZ-UHFFFAOYSA-N 1 0 283.371 3.310 20 10 CGCDRO CC[N@H+](CCc1ccccc1)Cc1ccccc1O ZINC000179561504 624666148 /nfs/dbraw/zinc/66/61/48/624666148.db2.gz SUERSQKQJIKNGU-UHFFFAOYSA-N 1 0 255.361 3.457 20 10 CGCDRO CC(C)CCO[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000180167618 624722350 /nfs/dbraw/zinc/72/23/50/624722350.db2.gz HZWKSDRVULQDNF-OAHLLOKOSA-N 1 0 281.371 3.168 20 10 CGCDRO CCOc1cccc(C[NH2+][C@H]2CCCC[C@H]2C)c1O ZINC000019945354 634404021 /nfs/dbraw/zinc/40/40/21/634404021.db2.gz DWUCGZQRGNIRJZ-OCCSQVGLSA-N 1 0 263.381 3.459 20 10 CGCDRO COc1cccc2c1CC[N@H+](Cc1cc(F)ccc1O)C2 ZINC000180784201 624772237 /nfs/dbraw/zinc/77/22/37/624772237.db2.gz UXHVDTFEMNREIT-UHFFFAOYSA-N 1 0 287.334 3.098 20 10 CGCDRO Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000183532075 625089225 /nfs/dbraw/zinc/08/92/25/625089225.db2.gz BPDRUHBLINDDDE-RYUDHWBXSA-N 1 0 287.407 3.024 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)[C@H](O)Cc1ccccc1 ZINC000183624910 625097384 /nfs/dbraw/zinc/09/73/84/625097384.db2.gz WODADCQSNWUURW-PMUMKWKESA-N 1 0 285.387 3.035 20 10 CGCDRO Cc1cccc([C@H](O)C[NH2+][C@@H](C)c2ccccc2O)c1 ZINC000183620242 625097490 /nfs/dbraw/zinc/09/74/90/625097490.db2.gz PQLFLTAZEXCZET-SUMWQHHRSA-N 1 0 271.360 3.085 20 10 CGCDRO COc1cc(Cl)cc(C[N@@H+]2CCCC[C@H]2C)c1O ZINC000184672448 625261866 /nfs/dbraw/zinc/26/18/66/625261866.db2.gz YTRBYQLBCTUBBM-SNVBAGLBSA-N 1 0 269.772 3.429 20 10 CGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC(C)(C)C2)c1O ZINC000184693037 625262900 /nfs/dbraw/zinc/26/29/00/625262900.db2.gz AZKQVTKFBZMFCP-UHFFFAOYSA-N 1 0 269.772 3.286 20 10 CGCDRO COc1cccc(C[NH2+][C@@H]2CC[C@@H](C)[C@@H](C)C2)c1O ZINC000085041567 625792169 /nfs/dbraw/zinc/79/21/69/625792169.db2.gz LDBLHXWHFJTUHN-MBNYWOFBSA-N 1 0 263.381 3.315 20 10 CGCDRO C[C@H]1C[C@H](CC[NH2+]Cc2ccc3c(c2)CCCO3)CCO1 ZINC000921990919 625955068 /nfs/dbraw/zinc/95/50/68/625955068.db2.gz RATWDAICAVEADR-LSDHHAIUSA-N 1 0 289.419 3.306 20 10 CGCDRO COc1cccc(C[NH2+]Cc2ccc3c(c2)C[C@H](C)O3)c1O ZINC000922701864 626036310 /nfs/dbraw/zinc/03/63/10/626036310.db2.gz BHXQZMSGYGVLCO-LBPRGKRZSA-N 1 0 299.370 3.014 20 10 CGCDRO COc1cccc(C[NH2+]C[C@H]2CC(C)(C)OC2(C)C)c1O ZINC000922952314 626104440 /nfs/dbraw/zinc/10/44/40/626104440.db2.gz WDIZXHUHFWEILR-CYBMUJFWSA-N 1 0 293.407 3.084 20 10 CGCDRO CCOc1cccc(C[NH+]2CC(C(C)(C)C)C2)c1O ZINC000839144399 626323472 /nfs/dbraw/zinc/32/34/72/626323472.db2.gz HVGFLOSHAJSNSV-UHFFFAOYSA-N 1 0 263.381 3.269 20 10 CGCDRO C[C@@H]1C[C@H]1C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000754102007 626475545 /nfs/dbraw/zinc/47/55/45/626475545.db2.gz OOTZUPGFGDNOTK-HIFRSBDPSA-N 1 0 258.409 3.373 20 10 CGCDRO CC[C@@H]([NH2+]CC1(C)OCCCO1)c1cc(Cl)ccc1O ZINC000754120670 626558636 /nfs/dbraw/zinc/55/86/36/626558636.db2.gz BFKJDMPLYQCZPC-CYBMUJFWSA-N 1 0 299.798 3.239 20 10 CGCDRO CN(C)c1ccccc1C[NH2+]Cc1cc(Cl)ccc1O ZINC000754349857 626568751 /nfs/dbraw/zinc/56/87/51/626568751.db2.gz PFKXNDRDHBJWLT-UHFFFAOYSA-N 1 0 290.794 3.401 20 10 CGCDRO CCN(CC)CC[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000756354922 626694929 /nfs/dbraw/zinc/69/49/29/626694929.db2.gz KOOXVOPMYYWNIN-AWEZNQCLSA-N 1 0 290.451 3.263 20 10 CGCDRO C[C@@H]([NH2+]CCN1CCC[C@@H](C)C1)c1cc(Cl)ccc1O ZINC000756417107 626703949 /nfs/dbraw/zinc/70/39/49/626703949.db2.gz PKFDJNFKTNLUFP-CHWSQXEVSA-N 1 0 296.842 3.428 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCOC2)c2c1c(F)ccc2O ZINC000756440445 626706101 /nfs/dbraw/zinc/70/61/01/626706101.db2.gz DUTKIFHKALTLOK-MDZLAQPJSA-N 1 0 279.355 3.096 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](CO)Cc2ccccc2)c(O)c1 ZINC000756460848 626706887 /nfs/dbraw/zinc/70/68/87/626706887.db2.gz UJVFYOCFBIFIIA-RDJZCZTQSA-N 1 0 299.414 3.202 20 10 CGCDRO C[C@H](Cc1cnccn1)[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000756496884 626709954 /nfs/dbraw/zinc/70/99/54/626709954.db2.gz YJBKJRNSRCRCFE-GHMZBOCLSA-N 1 0 291.782 3.117 20 10 CGCDRO CCN(CC[NH2+][C@@H](C)c1ccc(C)c(C)c1O)C(C)C ZINC000756525260 626711951 /nfs/dbraw/zinc/71/19/51/626711951.db2.gz NNVULYKMGQENGY-HNNXBMFYSA-N 1 0 278.440 3.390 20 10 CGCDRO C[C@@H]([NH2+]CCOc1cccnc1)c1cc(Cl)ccc1O ZINC000756570199 626716499 /nfs/dbraw/zinc/71/64/99/626716499.db2.gz BJSXRXSWHQNHKP-LLVKDONJSA-N 1 0 292.766 3.170 20 10 CGCDRO C[C@@H]([NH2+]CC1(O)CCCC1)c1cc2c(cc1O)CCCC2 ZINC000756575222 626716836 /nfs/dbraw/zinc/71/68/36/626716836.db2.gz NVXLNDYULIQHPV-CYBMUJFWSA-N 1 0 289.419 3.227 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccn(C(C)C)n2)c1 ZINC000756591294 626718465 /nfs/dbraw/zinc/71/84/65/626718465.db2.gz FHCNKKKMZSXPCO-ZDUSSCGKSA-N 1 0 273.380 3.329 20 10 CGCDRO C[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)[C@@H]1CCOC1 ZINC000756613363 626720786 /nfs/dbraw/zinc/72/07/86/626720786.db2.gz PADYAVOCKRQOQP-XZUYRWCXSA-N 1 0 279.355 3.094 20 10 CGCDRO C[C@H]([NH2+]CCN1CCC[C@@H]1C)c1cc(Cl)ccc1O ZINC000756618152 626721354 /nfs/dbraw/zinc/72/13/54/626721354.db2.gz RIJJWHZHAJIMSC-RYUDHWBXSA-N 1 0 282.815 3.181 20 10 CGCDRO CC[C@H](C[C@@H](C)CO)[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000756628737 626722294 /nfs/dbraw/zinc/72/22/94/626722294.db2.gz XEHPYDTURSDYPY-NQBHXWOUSA-N 1 0 285.815 3.493 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@]2(C)CCCO2)c(O)c1C ZINC000756647018 626724107 /nfs/dbraw/zinc/72/41/07/626724107.db2.gz PSWBBIOFIYQMBJ-CJNGLKHVSA-N 1 0 263.381 3.229 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C2CCOCC2)c(O)c1C ZINC000756652750 626724567 /nfs/dbraw/zinc/72/45/67/626724567.db2.gz ACIQMRCJILHIER-KGLIPLIRSA-N 1 0 277.408 3.475 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(F)cn2)c2c1c(F)ccc2O ZINC000756657218 626725104 /nfs/dbraw/zinc/72/51/04/626725104.db2.gz BONGYBTXDVJFTP-RNCFNFMXSA-N 1 0 290.313 3.404 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCc2cscn2)c(O)c1C ZINC000756662199 626725226 /nfs/dbraw/zinc/72/52/26/626725226.db2.gz YELOBVRUXWBUGW-GFCCVEGCSA-N 1 0 276.405 3.359 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2cccc3c2OCCO3)c1 ZINC000756702637 626727316 /nfs/dbraw/zinc/72/73/16/626727316.db2.gz BPJRUZVPBGWWRB-ZDUSSCGKSA-N 1 0 299.370 3.323 20 10 CGCDRO Cc1ccsc1[C@H](CO)[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000756735609 626728478 /nfs/dbraw/zinc/72/84/78/626728478.db2.gz GEEBLUSUCCLWTP-JSGCOSHPSA-N 1 0 291.416 3.455 20 10 CGCDRO CC[C@H](O)CCC[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756738153 626728826 /nfs/dbraw/zinc/72/88/26/626728826.db2.gz JWBKUXOYFAHXCD-GVXVVHGQSA-N 1 0 281.371 3.220 20 10 CGCDRO C[C@H]([NH2+][C@@H](CO)CC1CC1)c1ccc2ccccc2c1O ZINC000756770631 626730402 /nfs/dbraw/zinc/73/04/02/626730402.db2.gz YSVZKQCODLHEMR-SWLSCSKDSA-N 1 0 285.387 3.357 20 10 CGCDRO CCC(CC)(CO)C[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756770895 626730539 /nfs/dbraw/zinc/73/05/39/626730539.db2.gz PIMHXMPMHLXTDY-AAEUAGOBSA-N 1 0 295.398 3.468 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]Cc2cccc(F)n2)c2c1c(F)ccc2O ZINC000756768236 626730613 /nfs/dbraw/zinc/73/06/13/626730613.db2.gz KYHZZEQFINTVML-SKDRFNHKSA-N 1 0 290.313 3.404 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CC2([C@@H](O)C(C)C)CC2)c(O)c1C ZINC000756791224 626732709 /nfs/dbraw/zinc/73/27/09/626732709.db2.gz QOHQZAIVNQGCOX-PBHICJAKSA-N 1 0 291.435 3.457 20 10 CGCDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@@H](C)c2ccc(C)cc2O)C1(C)C ZINC000756792036 626733290 /nfs/dbraw/zinc/73/32/90/626733290.db2.gz WWLLLXKKLYYHKR-NOXHYTERSA-N 1 0 277.408 3.411 20 10 CGCDRO CCN(C)c1ccc(C[NH2+][C@H](C)[C@@](C)(OC)C2CC2)cc1 ZINC000839639655 626774097 /nfs/dbraw/zinc/77/40/97/626774097.db2.gz ORXRNBCKLYRQHE-RDTXWAMCSA-N 1 0 290.451 3.436 20 10 CGCDRO C[C@@H]([NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)[C@@H]1CCCOC1 ZINC000757637890 626796463 /nfs/dbraw/zinc/79/64/63/626796463.db2.gz OQARFLQGCOPVOG-BYNQJWBRSA-N 1 0 293.382 3.484 20 10 CGCDRO C[C@@H]([NH2+]CC[C@@H]1CCOC1)c1cc2c(cc1O)CCCC2 ZINC000757657661 626797765 /nfs/dbraw/zinc/79/77/65/626797765.db2.gz MPMJHLYXNGDHST-ZIAGYGMSSA-N 1 0 289.419 3.348 20 10 CGCDRO CC(C)OCC[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000757686995 626800805 /nfs/dbraw/zinc/80/08/05/626800805.db2.gz KYZMADKWDOGFAD-PWSUYJOCSA-N 1 0 267.344 3.094 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@H](c2cccnc2)C2CC2)cc1 ZINC000758629929 626851860 /nfs/dbraw/zinc/85/18/60/626851860.db2.gz CBEYYYNFJWRCNX-SFHVURJKSA-N 1 0 281.403 3.389 20 10 CGCDRO Cc1ccc2[nH+]ccc(NCc3ccccc3O)c2c1 ZINC000760510219 626974841 /nfs/dbraw/zinc/97/48/41/626974841.db2.gz OMKBOVKUMLEQKM-UHFFFAOYSA-N 1 0 264.328 3.283 20 10 CGCDRO COc1cc(Cl)cc(C[N@H+](C)Cc2ccc[nH]2)c1O ZINC000761203749 627024913 /nfs/dbraw/zinc/02/49/13/627024913.db2.gz MEJNDTQGXJGXSG-UHFFFAOYSA-N 1 0 280.755 3.014 20 10 CGCDRO Oc1ccc2ccncc2c1C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000763332560 627151893 /nfs/dbraw/zinc/15/18/93/627151893.db2.gz MLMXISHHQADGSH-CQSZACIVSA-N 1 0 268.360 3.172 20 10 CGCDRO CC[C@H]([NH2+]CCN(CC)C1CC1)c1ccc(N(C)C)cc1 ZINC000765623418 627263748 /nfs/dbraw/zinc/26/37/48/627263748.db2.gz ASEHVARIJDLAMW-SFHVURJKSA-N 1 0 289.467 3.278 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCOCC2CCC2)c(O)c1C ZINC000765809277 627272301 /nfs/dbraw/zinc/27/23/01/627272301.db2.gz LJFZIFIRCHMNCN-AWEZNQCLSA-N 1 0 277.408 3.476 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)CCCF)cc1 ZINC000766006647 627286346 /nfs/dbraw/zinc/28/63/46/627286346.db2.gz MNCVBHOTGVTCDG-UHFFFAOYSA-N 1 0 252.377 3.324 20 10 CGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCCN2C2CC2)cc1C ZINC000766225319 627305315 /nfs/dbraw/zinc/30/53/15/627305315.db2.gz NJZZQJNFWPRMFZ-KRWDZBQOSA-N 1 0 288.435 3.110 20 10 CGCDRO CN(C)c1ccc(C[N@H+](Cc2cccn2C)C2CC2)cc1 ZINC000768258896 627471655 /nfs/dbraw/zinc/47/16/55/627471655.db2.gz YJERZTVGQBFNKR-UHFFFAOYSA-N 1 0 283.419 3.256 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H]2c2ccccc2)cc1OC ZINC000768438665 627480002 /nfs/dbraw/zinc/48/00/02/627480002.db2.gz DJEAWBZAXWQRNN-OAHLLOKOSA-N 1 0 299.370 3.356 20 10 CGCDRO COc1cc(C[N@@H+]2CCC[C@@H]2C2CC2)c(O)cc1C ZINC000768453374 627480367 /nfs/dbraw/zinc/48/03/67/627480367.db2.gz WELFCKBOROHTCP-CQSZACIVSA-N 1 0 261.365 3.084 20 10 CGCDRO CCOc1ccc(C[N@H+](CC(C)C)C2CC2)c(O)c1 ZINC000768532839 627484598 /nfs/dbraw/zinc/48/45/98/627484598.db2.gz OMVJAEGIABTPPH-UHFFFAOYSA-N 1 0 263.381 3.411 20 10 CGCDRO CCOc1ccc(C[NH2+][C@H]2CCC(C)(C)C2)c(O)c1 ZINC000768662261 627491474 /nfs/dbraw/zinc/49/14/74/627491474.db2.gz WEDHVTZFLHIQQY-ZDUSSCGKSA-N 1 0 263.381 3.459 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000769104625 627522236 /nfs/dbraw/zinc/52/22/36/627522236.db2.gz JNWUCJNGTRZUIZ-MRXNPFEDSA-N 1 0 299.370 3.444 20 10 CGCDRO Oc1cccc(Cl)c1CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000769143385 627525341 /nfs/dbraw/zinc/52/53/41/627525341.db2.gz AJYYWHIQXZONRC-ZDUSSCGKSA-N 1 0 294.826 3.106 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](C)CC2)c1 ZINC000769148811 627525878 /nfs/dbraw/zinc/52/58/78/627525878.db2.gz SJLDUJXZBKEQNO-CYBMUJFWSA-N 1 0 263.381 3.413 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC(C)(C)C2)cc1F ZINC000769399477 627548912 /nfs/dbraw/zinc/54/89/12/627548912.db2.gz SBKBJUNOYKAPIN-UHFFFAOYSA-N 1 0 250.361 3.124 20 10 CGCDRO OCCC[N@H+](Cc1ccc(N2CCCCC2)cc1)C1CC1 ZINC000769405287 627549390 /nfs/dbraw/zinc/54/93/90/627549390.db2.gz TXLQHSKJLOXUAI-UHFFFAOYSA-N 1 0 288.435 3.024 20 10 CGCDRO CC[C@@]1(C)CCC[N@H+](Cc2c(O)cccc2OC)C1 ZINC000769446305 627552547 /nfs/dbraw/zinc/55/25/47/627552547.db2.gz LOHWFIOJMFTJIS-INIZCTEOSA-N 1 0 263.381 3.413 20 10 CGCDRO CCOc1ccc(C[N@@H+]2C[C@@H](C)C[C@H]2CC)c(O)c1 ZINC000769449123 627553396 /nfs/dbraw/zinc/55/33/96/627553396.db2.gz ZCOOVGKJBRHDMH-GXTWGEPZSA-N 1 0 263.381 3.411 20 10 CGCDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2cc(C)ccc2O)C1(C)C ZINC000769476249 627558604 /nfs/dbraw/zinc/55/86/04/627558604.db2.gz XMIAOWROEAZODB-JKSUJKDBSA-N 1 0 277.408 3.336 20 10 CGCDRO COc1cccc(O)c1C[N@H+](C)CCc1cccs1 ZINC000769497824 627560394 /nfs/dbraw/zinc/56/03/94/627560394.db2.gz COCGXQXMXXVQAS-UHFFFAOYSA-N 1 0 277.389 3.137 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)Cc2ccc[nH]2)cc1 ZINC000769542445 627564665 /nfs/dbraw/zinc/56/46/65/627564665.db2.gz IVEYZWJRMWKHEN-UHFFFAOYSA-N 1 0 271.408 3.493 20 10 CGCDRO C[C@@H]([NH2+][C@@H](CO)c1ccsc1)c1ccc(N(C)C)cc1 ZINC000769991618 627596274 /nfs/dbraw/zinc/59/62/74/627596274.db2.gz YZRQVSCTOFIPHJ-WBMJQRKESA-N 1 0 290.432 3.198 20 10 CGCDRO CC[C@H]1C[N@H+](Cc2cc(-c3ccccc3)ccc2O)C[C@H]1O ZINC000770381249 627616446 /nfs/dbraw/zinc/61/64/46/627616446.db2.gz ORGSIGGZKGJXDE-IFXJQAMLSA-N 1 0 297.398 3.262 20 10 CGCDRO CC1CCC([NH+]2CCN(Cc3ccccc3O)CC2)CC1 ZINC000770509603 627623245 /nfs/dbraw/zinc/62/32/45/627623245.db2.gz DWNGXHMOUVWHMG-UHFFFAOYSA-N 1 0 288.435 3.089 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]CCCCC(=O)OC(C)(C)C)c1 ZINC000773429351 627883121 /nfs/dbraw/zinc/88/31/21/627883121.db2.gz SPVCLDIJZHZXSF-UHFFFAOYSA-N 1 0 293.407 3.302 20 10 CGCDRO CCc1cnccc1[C@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000773428112 627883493 /nfs/dbraw/zinc/88/34/93/627883493.db2.gz NZBJDOIMZCDHBZ-ZDUSSCGKSA-N 1 0 282.387 3.430 20 10 CGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@H](COC)CC(C)C ZINC000775141009 628067264 /nfs/dbraw/zinc/06/72/64/628067264.db2.gz SWLPAAPFCRNYNG-KRWDZBQOSA-N 1 0 278.440 3.423 20 10 CGCDRO CC(C)n1cc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000775364037 628086451 /nfs/dbraw/zinc/08/64/51/628086451.db2.gz PCRDRZUSIJECJR-AWEZNQCLSA-N 1 0 286.423 3.381 20 10 CGCDRO CC[C@H]([NH2+]C[C@H](C1CC1)N(C)C)c1cc(Cl)ccc1O ZINC000775493946 628100983 /nfs/dbraw/zinc/10/09/83/628100983.db2.gz WUKMGSLSOJHYII-LSDHHAIUSA-N 1 0 296.842 3.427 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@](C)(O)C1CC1)c1cc(Cl)ccc1O ZINC000775503594 628101935 /nfs/dbraw/zinc/10/19/35/628101935.db2.gz KEYZJDCZOZXPRB-UKRRQHHQSA-N 1 0 283.799 3.247 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H]2c2ccc(O)cc2)c1 ZINC000775660603 628121113 /nfs/dbraw/zinc/12/11/13/628121113.db2.gz FWJIOHOAXAQORD-KRWDZBQOSA-N 1 0 299.370 3.444 20 10 CGCDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2cccc(C)c2O)C12CCC2 ZINC000775743377 628131950 /nfs/dbraw/zinc/13/19/50/628131950.db2.gz ZKJSMAFTQRYULK-CVEARBPZSA-N 1 0 289.419 3.480 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)CCCC3)C[C@H]1F ZINC000777965497 628316984 /nfs/dbraw/zinc/31/69/84/628316984.db2.gz WWJVYIRTJAKYMR-MLGOLLRUSA-N 1 0 277.383 3.451 20 10 CGCDRO Cc1ccc(N2CC[NH+](Cc3ccccc3O)CC2)cc1C ZINC000778996111 628381499 /nfs/dbraw/zinc/38/14/99/628381499.db2.gz NUONWNRWJDJIKE-UHFFFAOYSA-N 1 0 296.414 3.331 20 10 CGCDRO COc1ccc(C[N@H+](C)Cc2cc(F)ccc2O)cc1F ZINC000778994922 628382048 /nfs/dbraw/zinc/38/20/48/628382048.db2.gz LGRMDNDDYIUEPH-UHFFFAOYSA-N 1 0 293.313 3.311 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000779023472 628383907 /nfs/dbraw/zinc/38/39/07/628383907.db2.gz SLIARTWRQNHJQY-HNNXBMFYSA-N 1 0 257.308 3.478 20 10 CGCDRO CC[C@H]([NH2+][C@H]1C[C@@H](O)C1(C)C)c1cc(Cl)ccc1O ZINC000779063578 628386209 /nfs/dbraw/zinc/38/62/09/628386209.db2.gz HBYYUXJYUIAHFQ-FPMFFAJLSA-N 1 0 283.799 3.246 20 10 CGCDRO CCc1cnccc1[C@@H](C)[NH2+]Cc1cc(F)ccc1O ZINC000779107108 628389232 /nfs/dbraw/zinc/38/92/32/628389232.db2.gz PSOCWNAWQUGWCE-LLVKDONJSA-N 1 0 274.339 3.340 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000779188661 628393177 /nfs/dbraw/zinc/39/31/77/628393177.db2.gz WPHMVABUTCMNFH-HNNXBMFYSA-N 1 0 295.810 3.437 20 10 CGCDRO CCC(CC)(C[NH2+]Cc1ccc(OC)c(C)c1)C(=O)OC ZINC000779608052 628417864 /nfs/dbraw/zinc/41/78/64/628417864.db2.gz HDTVUHDKELOSPM-UHFFFAOYSA-N 1 0 293.407 3.073 20 10 CGCDRO CCSCCC[NH2+]Cc1ccc(N(C)C)cc1C ZINC000782154486 628618839 /nfs/dbraw/zinc/61/88/39/628618839.db2.gz MPACRGXLRNSXOO-UHFFFAOYSA-N 1 0 266.454 3.294 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1CCC=CO1)c1cc(Cl)ccc1O ZINC000783310211 628702532 /nfs/dbraw/zinc/70/25/32/628702532.db2.gz LPRNMBCWXSPVMC-ZYHUDNBSSA-N 1 0 267.756 3.389 20 10 CGCDRO CC(C)(CC(F)(F)F)[NH2+]Cc1cc(F)ccc1O ZINC000783717228 628742879 /nfs/dbraw/zinc/74/28/79/628742879.db2.gz HPTAGKHYSNPHMZ-UHFFFAOYSA-N 1 0 265.250 3.352 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CCCCS2)cc1F ZINC000784619114 628825200 /nfs/dbraw/zinc/82/52/00/628825200.db2.gz XXNVYVDFLCTTFP-ZDUSSCGKSA-N 1 0 282.428 3.267 20 10 CGCDRO COc1cccc(O)c1C[NH2+]C[C@H](SC)C(C)(C)C ZINC000784624866 628825832 /nfs/dbraw/zinc/82/58/32/628825832.db2.gz AVDIITAFEVXFGR-AWEZNQCLSA-N 1 0 283.437 3.268 20 10 CGCDRO CS[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)C(C)(C)C ZINC000784626353 628825853 /nfs/dbraw/zinc/82/58/53/628825853.db2.gz QXUYLYYUBXEFJL-HNNXBMFYSA-N 1 0 279.449 3.489 20 10 CGCDRO CCOc1ccc(C[NH2+]CC[C@@H]2CCO[C@@H](C)C2)c(O)c1 ZINC000784647060 628827298 /nfs/dbraw/zinc/82/72/98/628827298.db2.gz NLOPSQWQULBZKO-UONOGXRCSA-N 1 0 293.407 3.086 20 10 CGCDRO COCCSCCC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000785808912 628889457 /nfs/dbraw/zinc/88/94/57/628889457.db2.gz LZTBQXZQNKWQJG-CQSZACIVSA-N 1 0 296.480 3.173 20 10 CGCDRO CC[C@@H]([NH2+]CCOCC(F)F)c1cc(Cl)ccc1O ZINC000788260341 629043315 /nfs/dbraw/zinc/04/33/15/629043315.db2.gz ZJSZCETVAXCKAE-LLVKDONJSA-N 1 0 293.741 3.368 20 10 CGCDRO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000788269385 629044207 /nfs/dbraw/zinc/04/42/07/629044207.db2.gz MACHPQVMLMQHJR-CXAGYDPISA-N 1 0 283.371 3.014 20 10 CGCDRO CCN1CCC[C@H]1C[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000788501688 629060026 /nfs/dbraw/zinc/06/00/26/629060026.db2.gz GTTNFGPWGBMVAK-GJZGRUSLSA-N 1 0 276.424 3.144 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)[C@]1(C)CCCO1 ZINC000788585873 629066072 /nfs/dbraw/zinc/06/60/72/629066072.db2.gz XBWAWTDLOZJWAP-KSSFIOAISA-N 1 0 288.435 3.116 20 10 CGCDRO COCCOCCCC[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000788585195 629066233 /nfs/dbraw/zinc/06/62/33/629066233.db2.gz TWVOMDXRUYMQMQ-HNNXBMFYSA-N 1 0 295.423 3.103 20 10 CGCDRO Cc1ccc([C@@H](O)C[NH2+][C@H](C)c2c(C)cc(C)cc2O)o1 ZINC000788603965 629068315 /nfs/dbraw/zinc/06/83/15/629068315.db2.gz ROCJGVMPRSKEEU-HIFRSBDPSA-N 1 0 289.375 3.295 20 10 CGCDRO C[C@@]1(CO)CCC[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000789557056 629145220 /nfs/dbraw/zinc/14/52/20/629145220.db2.gz FGMFWZIJIJAEKY-IBGZPJMESA-N 1 0 297.398 3.406 20 10 CGCDRO C[C@@H]([NH2+]CCCC1CCOCC1)c1ccccc1O ZINC000790325768 629205883 /nfs/dbraw/zinc/20/58/83/629205883.db2.gz RTPMCZCMKIGVMX-CYBMUJFWSA-N 1 0 263.381 3.250 20 10 CGCDRO CC(C)[C@H]([NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F)C(C)(C)O ZINC000790701330 629225802 /nfs/dbraw/zinc/22/58/02/629225802.db2.gz KPPRKKUMOHPCCC-PKWAYOAASA-N 1 0 295.398 3.465 20 10 CGCDRO C[C@@H](C1CC1)[N@H+](C)Cc1c(O)cccc1Br ZINC000862224082 629326257 /nfs/dbraw/zinc/32/62/57/629326257.db2.gz HSEIBMFPMPHHNX-VIFPVBQESA-N 1 0 284.197 3.385 20 10 CGCDRO Cc1nc(C)c(C[NH2+]CCCSc2nccs2)o1 ZINC000862281123 629337350 /nfs/dbraw/zinc/33/73/50/629337350.db2.gz IAPODVVDVPZYRU-UHFFFAOYSA-N 1 0 283.422 3.020 20 10 CGCDRO CC[C@@]1([NH2+]Cc2cc(Cl)cc(C)c2O)CCOC1 ZINC000792193722 629347596 /nfs/dbraw/zinc/34/75/96/629347596.db2.gz ZAYWQRKVZLNCQG-CQSZACIVSA-N 1 0 269.772 3.013 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)cc1F ZINC000862441257 629374448 /nfs/dbraw/zinc/37/44/48/629374448.db2.gz QAMSRSSEQKAOID-OKILXGFUSA-N 1 0 262.372 3.124 20 10 CGCDRO CCC(O)(CC)C[N@H+](C)Cc1cc(Cl)cc(C)c1O ZINC000862538644 629394576 /nfs/dbraw/zinc/39/45/76/629394576.db2.gz BSXNGTZPRCYITK-UHFFFAOYSA-N 1 0 285.815 3.337 20 10 CGCDRO CCC(O)(CC)C[N@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000862539185 629394827 /nfs/dbraw/zinc/39/48/27/629394827.db2.gz IXEHYLWIDYOCBN-HJWRWDBZSA-N 1 0 290.451 3.249 20 10 CGCDRO C[C@H]1C[C@H](C)[NH+]1Cc1cc(Br)ccc1O ZINC000793219948 629430503 /nfs/dbraw/zinc/43/05/03/629430503.db2.gz ILTYPCUGJKZCBW-IUCAKERBSA-N 1 0 270.170 3.137 20 10 CGCDRO COc1ccc(N2CCC([NH2+]C(C)(C)C(F)F)CC2)cc1 ZINC000793255810 629437085 /nfs/dbraw/zinc/43/70/85/629437085.db2.gz SDBJWSRGSOJGLP-UHFFFAOYSA-N 1 0 298.377 3.297 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CCC[C@](C)(OC)CC2)c(O)c1 ZINC000793340572 629444945 /nfs/dbraw/zinc/44/49/45/629444945.db2.gz QSFBBWIHJGKRIW-KRWDZBQOSA-N 1 0 293.407 3.182 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)c1O ZINC000793610716 629490269 /nfs/dbraw/zinc/49/02/69/629490269.db2.gz WTSQEKXVVCJHLD-CABCVRRESA-N 1 0 295.810 3.497 20 10 CGCDRO CCC[N@H+](Cc1ccccc1O)[C@@H](C)c1cnc(C)cn1 ZINC000794381979 629538542 /nfs/dbraw/zinc/53/85/42/629538542.db2.gz FXSIXQLOKJDJAH-AWEZNQCLSA-N 1 0 285.391 3.464 20 10 CGCDRO CC[C@H]([NH2+]CCN1CCC[C@H](C)C1)c1ccc(C)cc1O ZINC000794795003 629577294 /nfs/dbraw/zinc/57/72/94/629577294.db2.gz GERVSJWBUAWCPJ-RDJZCZTQSA-N 1 0 290.451 3.473 20 10 CGCDRO CC[C@@H]([NH2+]CC[C@H]1CCCO1)c1ccc(C)cc1O ZINC000794798899 629578451 /nfs/dbraw/zinc/57/84/51/629578451.db2.gz XCSVWZQLZXEPRR-UKRRQHHQSA-N 1 0 263.381 3.310 20 10 CGCDRO CC[C@H]([NH2+]C1CCC(C)(O)CC1)c1ccc(C)cc1O ZINC000794801754 629578612 /nfs/dbraw/zinc/57/86/12/629578612.db2.gz KVXYEQPTQVWOQD-GULBITTBSA-N 1 0 277.408 3.435 20 10 CGCDRO C[C@@H]([NH2+]Cc1cccnc1F)c1cc(Cl)ccc1O ZINC000794835161 629585041 /nfs/dbraw/zinc/58/50/41/629585041.db2.gz KXNIYIKJTVXFLI-SECBINFHSA-N 1 0 280.730 3.431 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CCC(C)=C(C)C2)c1O ZINC000794880215 629594025 /nfs/dbraw/zinc/59/40/25/629594025.db2.gz JHKPSCRARMIXHM-UHFFFAOYSA-N 1 0 261.365 3.251 20 10 CGCDRO CC[C@H](N[C@@H]1CC[C@H](C)[NH2+]C1)c1cc(Cl)ccc1O ZINC000863547576 629603581 /nfs/dbraw/zinc/60/35/81/629603581.db2.gz PYQBHIXWDOOTLW-SUHUHFCYSA-N 1 0 282.815 3.227 20 10 CGCDRO CO[C@H]1C[C@@H]([N@H+](C)Cc2cc(C(C)C)c(C)cc2O)C1 ZINC000795675001 629708397 /nfs/dbraw/zinc/70/83/97/629708397.db2.gz NHZZLBNCDLKOJN-GASCZTMLSA-N 1 0 277.408 3.433 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]CC2(C(F)(F)F)CC2)c1 ZINC000796489480 629790122 /nfs/dbraw/zinc/79/01/22/629790122.db2.gz LTWBFRUPJCWJBR-UHFFFAOYSA-N 1 0 289.297 3.223 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2cnn3ccccc23)c1 ZINC000797053118 629878577 /nfs/dbraw/zinc/87/85/77/629878577.db2.gz OWZWDIOVDGTMGU-ZDUSSCGKSA-N 1 0 281.359 3.199 20 10 CGCDRO CCCN1CCC[C@H]1C[NH2+][C@H](C)c1cc(C)ccc1O ZINC000797116748 629890846 /nfs/dbraw/zinc/89/08/46/629890846.db2.gz YKFGBMBWOZSYRD-CABCVRRESA-N 1 0 276.424 3.226 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000798965013 630130534 /nfs/dbraw/zinc/13/05/34/630130534.db2.gz OPGBDCHSRJVZQE-GFCCVEGCSA-N 1 0 288.778 3.430 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](c3ccccn3)C2)cc1C ZINC000798964018 630131054 /nfs/dbraw/zinc/13/10/54/630131054.db2.gz HWISDJOLZUABPL-HNNXBMFYSA-N 1 0 282.387 3.394 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@H](c3ccccn3)C2)c1 ZINC000799158760 630149959 /nfs/dbraw/zinc/14/99/59/630149959.db2.gz RWVCSPMQPNUOSG-HNNXBMFYSA-N 1 0 282.387 3.394 20 10 CGCDRO CO[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000799730240 630226744 /nfs/dbraw/zinc/22/67/44/630226744.db2.gz YFWJGOFFYIJRGX-NOLJZWGESA-N 1 0 263.381 3.309 20 10 CGCDRO C[C@@H]([NH2+][C@@H](CCO)Cc1ccccc1)c1ccccc1O ZINC000799732236 630227321 /nfs/dbraw/zinc/22/73/21/630227321.db2.gz WTWSJBJNHMUCQP-ZBFHGGJFSA-N 1 0 285.387 3.037 20 10 CGCDRO Cc1cc(C)cc([C@H](O)C[NH2+]Cc2cc(C)c(C)cc2O)c1 ZINC000800897543 630310530 /nfs/dbraw/zinc/31/05/30/630310530.db2.gz KAQJRQMPNROTRQ-LJQANCHMSA-N 1 0 299.414 3.449 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CC[C@@H]2C2CCC2)c1 ZINC000800975047 630315772 /nfs/dbraw/zinc/31/57/72/630315772.db2.gz VRXOVMUMRNZRET-HUUCEWRRSA-N 1 0 261.365 3.069 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CC2=CCCOC2)c1O ZINC000808717752 630318156 /nfs/dbraw/zinc/31/81/56/630318156.db2.gz HFRQAKSKNOZFNW-NSHDSACASA-N 1 0 281.783 3.351 20 10 CGCDRO CCCC[N@@H+](Cc1ccccc1O)C[C@H](C)OC ZINC000801595317 630346870 /nfs/dbraw/zinc/34/68/70/630346870.db2.gz LTQKBIXOGVLCRT-ZDUSSCGKSA-N 1 0 251.370 3.029 20 10 CGCDRO CCOc1ccc(C[NH2+][C@]23C[C@H]2CCCC3)c(O)c1 ZINC000865703684 630397488 /nfs/dbraw/zinc/39/74/88/630397488.db2.gz LHZVKQISAQNHJZ-CZUORRHYSA-N 1 0 261.365 3.213 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)c1 ZINC000840095175 630591139 /nfs/dbraw/zinc/59/11/39/630591139.db2.gz OHUUHBDNBRFFGZ-MSOLQXFVSA-N 1 0 287.403 3.152 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCCn2ccnc2)c1O ZINC000808672301 630662535 /nfs/dbraw/zinc/66/25/35/630662535.db2.gz IZVGZXLIFVTQPZ-LBPRGKRZSA-N 1 0 293.798 3.291 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](C2CC2)N(C)C)c1O ZINC000808678437 630664065 /nfs/dbraw/zinc/66/40/65/630664065.db2.gz REOFWNDFYLXGOL-XHDPSFHLSA-N 1 0 296.842 3.345 20 10 CGCDRO CCC[N@H+](CCN1CCCC1)Cc1cccc(C)c1O ZINC000809700540 630785906 /nfs/dbraw/zinc/78/59/06/630785906.db2.gz IRVORBDJDINLHZ-UHFFFAOYSA-N 1 0 276.424 3.008 20 10 CGCDRO Oc1ccccc1C[NH+]1CCC(c2cccnc2)CC1 ZINC000809738363 630794803 /nfs/dbraw/zinc/79/48/03/630794803.db2.gz WEDUTRUDWVZKTL-UHFFFAOYSA-N 1 0 268.360 3.167 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)C2)c1 ZINC000842761405 635464105 /nfs/dbraw/zinc/46/41/05/635464105.db2.gz YFCLHBOTUJMGSU-OKILXGFUSA-N 1 0 263.381 3.136 20 10 CGCDRO COc1cccc(C[NH2+]C[C@H]2C(C)=CCC[C@@H]2C)c1O ZINC000809740401 630796302 /nfs/dbraw/zinc/79/63/02/630796302.db2.gz XQKCREMUCWPQNQ-ZFWWWQNUSA-N 1 0 275.392 3.483 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CCC[C@H](C3CC3)C2)c(O)c1 ZINC000809787290 630808922 /nfs/dbraw/zinc/80/89/22/630808922.db2.gz YBYSLAUARFRCMA-AWEZNQCLSA-N 1 0 275.392 3.413 20 10 CGCDRO COc1cc(C[N@@H+]2CC[C@H](C3CCC3)C2)c(O)cc1C ZINC000840190239 630827206 /nfs/dbraw/zinc/82/72/06/630827206.db2.gz UILIEMIOWZLZGA-AWEZNQCLSA-N 1 0 275.392 3.331 20 10 CGCDRO CC[C@@H](C[NH2+][C@@H](CC)c1ccc(N(C)C)cc1)OC ZINC000810260202 630861648 /nfs/dbraw/zinc/86/16/48/630861648.db2.gz GWNYKOFXHMGXQP-HOTGVXAUSA-N 1 0 264.413 3.218 20 10 CGCDRO COCC1(CC[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)CC1 ZINC000842891292 635505744 /nfs/dbraw/zinc/50/57/44/635505744.db2.gz SJPGQUOAQBTAMA-AAEUAGOBSA-N 1 0 293.382 3.486 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CC2Cc3ccccc3C2)cc1F ZINC000811475983 631070563 /nfs/dbraw/zinc/07/05/63/631070563.db2.gz DYVIJFWEGFSROG-UHFFFAOYSA-N 1 0 298.405 3.396 20 10 CGCDRO CC1(C)C[N@H+](Cc2cc(Cl)ccc2O)[C@H]1[C@H]1CCCO1 ZINC000811510321 631079221 /nfs/dbraw/zinc/07/92/21/631079221.db2.gz CENWMUDWTHOCQU-CABCVRRESA-N 1 0 295.810 3.435 20 10 CGCDRO CC[C@@H]([NH2+]Cc1c2c(nn1C)CCCC2)c1ccccc1O ZINC000812738094 631299847 /nfs/dbraw/zinc/29/98/47/631299847.db2.gz WVTVXIBRPORUPT-OAHLLOKOSA-N 1 0 299.418 3.245 20 10 CGCDRO Cc1ccc(C[N@H+](C)Cc2ccc3c(c2)OCCO3)c(O)c1 ZINC000876540521 634853027 /nfs/dbraw/zinc/85/30/27/634853027.db2.gz ZVONGZLHFWEUHN-UHFFFAOYSA-N 1 0 299.370 3.104 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)[C@H]1C ZINC000813857271 631470908 /nfs/dbraw/zinc/47/09/08/631470908.db2.gz RNCJHMJXJUZXAK-SUNKGSAMSA-N 1 0 250.361 3.026 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CCC[C@@H](CSC)C2)c(O)c1 ZINC000814179711 631539398 /nfs/dbraw/zinc/53/93/98/631539398.db2.gz XLIPCXRRMXKXLP-CYBMUJFWSA-N 1 0 295.448 3.366 20 10 CGCDRO CC[C@@H]1CC[N@@H+]1Cc1cc(Br)ccc1O ZINC000814178949 631540063 /nfs/dbraw/zinc/54/00/63/631540063.db2.gz KIPWIOCOUVDGSM-LLVKDONJSA-N 1 0 270.170 3.139 20 10 CGCDRO COCC[N@@H+](Cc1ccc(N(C)C)c(C)c1)CC(C)C ZINC000815019980 631705419 /nfs/dbraw/zinc/70/54/19/631705419.db2.gz PWOCEASBPXBCHN-UHFFFAOYSA-N 1 0 278.440 3.165 20 10 CGCDRO Cc1cc(C[N@@H+]2CCC[C@@H](n3ccnc3)C2)ccc1N(C)C ZINC000815034734 631706450 /nfs/dbraw/zinc/70/64/50/631706450.db2.gz AEXNFLDGCHDDAY-QGZVFWFLSA-N 1 0 298.434 3.095 20 10 CGCDRO Cc1cc(C[N@H+](C)CCc2nccs2)ccc1N(C)C ZINC000815076713 631713062 /nfs/dbraw/zinc/71/30/62/631713062.db2.gz WBDAOMNHSMGYRT-UHFFFAOYSA-N 1 0 289.448 3.192 20 10 CGCDRO Cc1cc(C[N@@H+](C)[C@@]2(CO)CC[C@@H](C)C2)ccc1N(C)C ZINC000815095673 631716863 /nfs/dbraw/zinc/71/68/63/631716863.db2.gz FVUGYZIPDBDMKB-KDOFPFPSSA-N 1 0 290.451 3.044 20 10 CGCDRO CCOCc1cc(C[NH2+]CC[C@@H](C)F)ccc1OC ZINC000815149462 631730772 /nfs/dbraw/zinc/73/07/72/631730772.db2.gz ODFVEROTHRSWRW-GFCCVEGCSA-N 1 0 269.360 3.069 20 10 CGCDRO CC1(C)C[N@H+](Cc2ccc3ccccc3c2O)CCO1 ZINC000816492236 631992749 /nfs/dbraw/zinc/99/27/49/631992749.db2.gz MKVVETIYNBACDW-UHFFFAOYSA-N 1 0 271.360 3.156 20 10 CGCDRO Oc1c(C[N@@H+]2CCN3CCCC[C@H]3C2)ccc2ccccc21 ZINC000816498044 631994425 /nfs/dbraw/zinc/99/44/25/631994425.db2.gz DLKDKQBUXTTXNE-KRWDZBQOSA-N 1 0 296.414 3.216 20 10 CGCDRO CC[N@H+](Cc1cnn(C)c1)Cc1ccc2ccccc2c1O ZINC000816495708 631994710 /nfs/dbraw/zinc/99/47/10/631994710.db2.gz GZTXMADNHYRMBA-UHFFFAOYSA-N 1 0 295.386 3.301 20 10 CGCDRO CC(C)(C)C[C@@H](O)C[NH2+]Cc1ccc2ccccc2c1O ZINC000816551118 632008246 /nfs/dbraw/zinc/00/82/46/632008246.db2.gz PMFJBMRTPXYXTO-OAHLLOKOSA-N 1 0 287.403 3.432 20 10 CGCDRO Cc1ccc([C@H](O)C[NH2+]Cc2ccc3ccccc3c2O)o1 ZINC000816553553 632009661 /nfs/dbraw/zinc/00/96/61/632009661.db2.gz ZGHKXIMHHHXDOX-MRXNPFEDSA-N 1 0 297.354 3.270 20 10 CGCDRO CCC[C@H](CCO)C[NH2+]Cc1ccc2ccccc2c1O ZINC000816553850 632010683 /nfs/dbraw/zinc/01/06/83/632010683.db2.gz INIYALJGQFSSIF-CQSZACIVSA-N 1 0 287.403 3.434 20 10 CGCDRO Cn1ccc(C[NH2+]Cc2ccc3ccccc3c2O)c1 ZINC000816555668 632012145 /nfs/dbraw/zinc/01/21/45/632012145.db2.gz MLVQNJYQFZOLME-UHFFFAOYSA-N 1 0 266.344 3.174 20 10 CGCDRO C[C@@]1(O)CCC[N@H+](Cc2ccc3ccccc3c2O)CC1 ZINC000816594672 632020203 /nfs/dbraw/zinc/02/02/03/632020203.db2.gz LXRSYSQUKOYAGT-GOSISDBHSA-N 1 0 285.387 3.282 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CC(C)(C)[C@@H]2C(C)C)c1 ZINC000816624655 632026207 /nfs/dbraw/zinc/02/62/07/632026207.db2.gz CDWXHTZKRPWLLD-HNNXBMFYSA-N 1 0 263.381 3.267 20 10 CGCDRO COc1cc(O)c(C[NH2+]C[C@H]2CCCC2(C)C)cc1OC ZINC000816665147 632039911 /nfs/dbraw/zinc/03/99/11/632039911.db2.gz VEMDMXSZDZRWLT-CYBMUJFWSA-N 1 0 293.407 3.325 20 10 CGCDRO Cc1cccc(C[NH2+]C[C@@H]2CC23CCSCC3)c1O ZINC000817411450 632142194 /nfs/dbraw/zinc/14/21/94/632142194.db2.gz RMSOYXNAUQJVFX-AWEZNQCLSA-N 1 0 277.433 3.324 20 10 CGCDRO CCOc1ccc(O)c(C[NH+]2C[C@H](CC)O[C@@H](CC)C2)c1 ZINC000817413516 632143775 /nfs/dbraw/zinc/14/37/75/632143775.db2.gz YRDPEGUYBAIFJB-GJZGRUSLSA-N 1 0 293.407 3.180 20 10 CGCDRO CC[C@H]1C[C@@H]([NH2+]Cc2c(O)cc(C)cc2Cl)CCO1 ZINC000817414760 632145513 /nfs/dbraw/zinc/14/55/13/632145513.db2.gz JQQZHQWCFWGXQN-RYUDHWBXSA-N 1 0 283.799 3.401 20 10 CGCDRO C[C@@H]([NH2+]CCCC1(O)CCC1)c1ccc(N(C)C)cc1 ZINC000817586735 632191626 /nfs/dbraw/zinc/19/16/26/632191626.db2.gz RLRNDCOCGDXFAX-CQSZACIVSA-N 1 0 276.424 3.098 20 10 CGCDRO CN(C)c1ccc(CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1F ZINC000817900587 632231485 /nfs/dbraw/zinc/23/14/85/632231485.db2.gz OCRMDSFQMSMUDW-IAGOWNOFSA-N 1 0 299.393 3.126 20 10 CGCDRO Cc1cccc([C@@H](C)[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)c1 ZINC000817939108 632239463 /nfs/dbraw/zinc/23/94/63/632239463.db2.gz ZCUFEGBJNYZGJY-BEFAXECRSA-N 1 0 297.446 3.412 20 10 CGCDRO CN(C)c1ccc([C@@H](N)C[NH2+]C2CCC3(CC3)CC2)cc1 ZINC000817943051 632241594 /nfs/dbraw/zinc/24/15/94/632241594.db2.gz SQHOVLJVSYKCCH-KRWDZBQOSA-N 1 0 287.451 3.065 20 10 CGCDRO C[C@@H](NC[C@@H]1CCC[NH2+]1)c1ccc(N2CCCCC2)cc1 ZINC000817951235 632247706 /nfs/dbraw/zinc/24/77/06/632247706.db2.gz CDPALDPDSNCTPN-WBVHZDCISA-N 1 0 287.451 3.080 20 10 CGCDRO COc1ccsc1[C@@H](C)[NH2+]CCc1ccc(N)cc1 ZINC000817957718 632251968 /nfs/dbraw/zinc/25/19/68/632251968.db2.gz OPAPEGAXFYCMSY-LLVKDONJSA-N 1 0 276.405 3.232 20 10 CGCDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)c1ccc(Cl)cn1 ZINC000817958553 632253085 /nfs/dbraw/zinc/25/30/85/632253085.db2.gz XGLCKOOVOZQOJU-LLVKDONJSA-N 1 0 275.783 3.211 20 10 CGCDRO C[C@H](NCC(C)(C)[NH3+])c1ccc(N2CCCCC2)c(F)c1 ZINC000817960532 632255884 /nfs/dbraw/zinc/25/58/84/632255884.db2.gz MTBNZJUCRSDYJS-ZDUSSCGKSA-N 1 0 293.430 3.204 20 10 CGCDRO C[C@@H]([NH2+][C@@H](CN)C1CCCCC1)c1ccc(N(C)C)cc1 ZINC000817960388 632256378 /nfs/dbraw/zinc/25/63/78/632256378.db2.gz YNFFQTSUISPVLU-KDOFPFPSSA-N 1 0 289.467 3.311 20 10 CGCDRO CCC[NH2+]CCN[C@H](C)c1cc(Cl)cc(C)c1O ZINC000817963304 632258529 /nfs/dbraw/zinc/25/85/29/632258529.db2.gz TZJBJSJWASCXRT-LLVKDONJSA-N 1 0 270.804 3.004 20 10 CGCDRO CCC[NH2+]CCN[C@H](C)c1ccc2ccccc2c1O ZINC000817963030 632259156 /nfs/dbraw/zinc/25/91/56/632259156.db2.gz QUYMBGDUHSAYEE-CYBMUJFWSA-N 1 0 272.392 3.196 20 10 CGCDRO C[C@H](CN)[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000817966406 632261446 /nfs/dbraw/zinc/26/14/46/632261446.db2.gz NAJIMGJXWNCOGN-RHSMWYFYSA-N 1 0 284.403 3.003 20 10 CGCDRO C[C@@H]([NH3+])CN[C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000817970586 632264270 /nfs/dbraw/zinc/26/42/70/632264270.db2.gz ALDRPJQIYRDMNE-HUUCEWRRSA-N 1 0 275.440 3.065 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H]1NCCc2ccccc21)c1ccccc1O ZINC000817975639 632267743 /nfs/dbraw/zinc/26/77/43/632267743.db2.gz XFAPKOGEKGLMCR-QZTJIDSGSA-N 1 0 296.414 3.320 20 10 CGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3C[C@@H](C)[C@H]3C)C2)cc1 ZINC000818341676 632311041 /nfs/dbraw/zinc/31/10/41/632311041.db2.gz CQYNIADVMBKZKD-ATNYBXOESA-N 1 0 288.435 3.156 20 10 CGCDRO CC[C@H](O)C[NH2+]Cc1ccc(N(C)C2CCCCC2)cc1 ZINC000818980199 632358784 /nfs/dbraw/zinc/35/87/84/632358784.db2.gz HCEVTDNAUQOMRH-SFHVURJKSA-N 1 0 290.451 3.316 20 10 CGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@H]1CC[C@H]1SC ZINC000822476375 632940965 /nfs/dbraw/zinc/94/09/65/632940965.db2.gz LZTYJQBEEZKGNG-LSDHHAIUSA-N 1 0 264.438 3.256 20 10 CGCDRO CCC[C@H](CCO)[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000866414550 633127133 /nfs/dbraw/zinc/12/71/33/633127133.db2.gz IAIVSUUHLAPAGE-ZYHUDNBSSA-N 1 0 271.788 3.247 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CC[C@@H](O)C(F)F)c1O ZINC000866443223 633133977 /nfs/dbraw/zinc/13/39/77/633133977.db2.gz YPUIXAVHYITSAI-LDYMZIIASA-N 1 0 293.741 3.021 20 10 CGCDRO Cc1ncc([C@H](C)[NH2+][C@H]2CCc3cccc(O)c32)s1 ZINC000866454648 633143546 /nfs/dbraw/zinc/14/35/46/633143546.db2.gz GHXKFMYBHYZAOF-CABZTGNLSA-N 1 0 274.389 3.495 20 10 CGCDRO CS[C@H]1C[C@H]([NH2+][C@H](C)c2ccc(C)cc2O)C1 ZINC000866488969 633158664 /nfs/dbraw/zinc/15/86/64/633158664.db2.gz ZPZRGKGZORYCRF-IJLUTSLNSA-N 1 0 251.395 3.245 20 10 CGCDRO CC[C@H]1C[C@H]([NH2+]CCCSc2nccs2)CCO1 ZINC000823938320 633170887 /nfs/dbraw/zinc/17/08/87/633170887.db2.gz XCSXQXRPXXVLOU-NEPJUHHUSA-N 1 0 286.466 3.173 20 10 CGCDRO C[C@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1ccc(F)cc1[O-] ZINC000866518058 633171204 /nfs/dbraw/zinc/17/12/04/633171204.db2.gz SSFYUORXWWOIGR-MKQDKFQKSA-N 1 0 294.414 3.445 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1CCCC[C@@H]1O)c1ccc(C)cc1O ZINC000866639807 633227346 /nfs/dbraw/zinc/22/73/46/633227346.db2.gz XKLRZDNWQZMNCL-KFWWJZLASA-N 1 0 263.381 3.045 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]CC2=CCCCC2)c1 ZINC000824538859 633256221 /nfs/dbraw/zinc/25/62/21/633256221.db2.gz UMRFZNDXNXGOTD-UHFFFAOYSA-N 1 0 261.365 3.381 20 10 CGCDRO CCOC1CC[NH+](Cc2cc(Cl)c(C)cc2O)CC1 ZINC000824575503 633260478 /nfs/dbraw/zinc/26/04/78/633260478.db2.gz GSJVMLACSUTLJZ-UHFFFAOYSA-N 1 0 283.799 3.355 20 10 CGCDRO CC/C=C/C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000824702253 633276049 /nfs/dbraw/zinc/27/60/49/633276049.db2.gz KEMOSHMBBYKHCY-SNAWJCMRSA-N 1 0 274.408 3.220 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCOC3(CCC3)C2)cc1C ZINC000824751308 633283242 /nfs/dbraw/zinc/28/32/42/633283242.db2.gz TZFPZGLOPZHNMB-HNNXBMFYSA-N 1 0 289.419 3.448 20 10 CGCDRO COc1ccc(C[NH2+]C[C@H]2CCOC3(CCC3)C2)cc1C ZINC000824750041 633283333 /nfs/dbraw/zinc/28/33/33/633283333.db2.gz BIAPHMYNKVPQNL-INIZCTEOSA-N 1 0 289.419 3.443 20 10 CGCDRO C[C@@]1(C[NH2+]Cc2ccccc2O)CC1(Cl)Cl ZINC000824764504 633284006 /nfs/dbraw/zinc/28/40/06/633284006.db2.gz BEEWUTGYSKRLNX-NSHDSACASA-N 1 0 260.164 3.066 20 10 CGCDRO Cc1cccc(C[NH2+]C[C@@H]2CCO[C@H](C(C)C)C2)c1O ZINC000824800545 633292414 /nfs/dbraw/zinc/29/24/14/633292414.db2.gz ZVSVOCUEFSWFCH-ZBFHGGJFSA-N 1 0 277.408 3.241 20 10 CGCDRO CC(C)[C@H](C)[N@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876573871 634861518 /nfs/dbraw/zinc/86/15/18/634861518.db2.gz GDOORBCOJARAMJ-HNNXBMFYSA-N 1 0 290.451 3.124 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](OC)[C@H](C)C2)cc1 ZINC000824815472 633294308 /nfs/dbraw/zinc/29/43/08/633294308.db2.gz QBCITQLOAXXCAA-QAPCUYQASA-N 1 0 290.451 3.390 20 10 CGCDRO CCn1ccnc1[C@H](C)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000825005359 633316858 /nfs/dbraw/zinc/31/68/58/633316858.db2.gz IITDEZSETVRGDK-RYUDHWBXSA-N 1 0 289.379 3.029 20 10 CGCDRO COc1ccc(C[NH2+]Cc2cc(Cl)c(C)cc2O)cn1 ZINC000825096837 633327789 /nfs/dbraw/zinc/32/77/89/633327789.db2.gz KVKBCXWFBQIPON-UHFFFAOYSA-N 1 0 292.766 3.047 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](C)C2CCCC2)c1 ZINC000825284587 633342582 /nfs/dbraw/zinc/34/25/82/633342582.db2.gz RKPLZMRVASWDTI-LBPRGKRZSA-N 1 0 263.381 3.459 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H](C)C2CCOCC2)cc1Cl ZINC000825347532 633348552 /nfs/dbraw/zinc/34/85/52/633348552.db2.gz NXTWEDWLFAXZQP-LLVKDONJSA-N 1 0 283.799 3.259 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCO[C@@H](C3CC3)C2)cc1Cl ZINC000825525511 633361941 /nfs/dbraw/zinc/36/19/41/633361941.db2.gz FVTULQUUJQWTCK-CZUORRHYSA-N 1 0 295.810 3.401 20 10 CGCDRO CO[C@@H]1CC[N@H+](Cc2cc(Cl)c(C)cc2O)[C@@H](C)C1 ZINC000825774563 633381399 /nfs/dbraw/zinc/38/13/99/633381399.db2.gz YLMSKEOZJAZVSZ-WCQYABFASA-N 1 0 283.799 3.353 20 10 CGCDRO CC[C@H]1C[N@H+](Cc2cc(Cl)c(C)cc2O)CCCO1 ZINC000825768438 633381459 /nfs/dbraw/zinc/38/14/59/633381459.db2.gz MGDIAAYQOUVQEG-ZDUSSCGKSA-N 1 0 283.799 3.355 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCCOC(F)F)cc1Cl ZINC000825784223 633382071 /nfs/dbraw/zinc/38/20/71/633382071.db2.gz CJYXIVTXUXMSHS-UHFFFAOYSA-N 1 0 279.714 3.073 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H]2C2CC2)cc1Cl ZINC000826043698 633400843 /nfs/dbraw/zinc/40/08/43/633400843.db2.gz ORJHGMHJRBIEJX-CYBMUJFWSA-N 1 0 251.757 3.338 20 10 CGCDRO CCn1ccnc1[C@@H](C)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000826074485 633402911 /nfs/dbraw/zinc/40/29/11/633402911.db2.gz BRJZOPMGNVSXAO-LLVKDONJSA-N 1 0 293.798 3.421 20 10 CGCDRO CCOc1cccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]32)c1O ZINC000826539482 633412691 /nfs/dbraw/zinc/41/26/91/633412691.db2.gz UUBQEVFNKRZPPC-JSGCOSHPSA-N 1 0 261.365 3.165 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCN2C(C)(C)C)cc1Cl ZINC000826791655 633433413 /nfs/dbraw/zinc/43/34/13/633433413.db2.gz YXCNTFOQQCZHHU-ZDUSSCGKSA-N 1 0 296.842 3.316 20 10 CGCDRO COCC1(C2CCC2)C[NH+](Cc2cccc(Cl)c2[O-])C1 ZINC000827011763 633448478 /nfs/dbraw/zinc/44/84/78/633448478.db2.gz NZTFETVJLJVJAT-UHFFFAOYSA-N 1 0 295.810 3.294 20 10 CGCDRO CC1(C)OCC[C@H]1C[NH2+]Cc1ccc2ccccc2c1O ZINC000827707790 633511387 /nfs/dbraw/zinc/51/13/87/633511387.db2.gz SLFHIZNIQYLFCH-HNNXBMFYSA-N 1 0 285.387 3.450 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](c1ccccc1)[C@@H](C)O ZINC000827857017 633526884 /nfs/dbraw/zinc/52/68/84/633526884.db2.gz WGCICPOTZZFBSL-BEFAXECRSA-N 1 0 298.430 3.273 20 10 CGCDRO COc1ccc(O)c(C[NH2+]CC(C)(C)CC(F)(F)F)c1 ZINC000827979675 633544265 /nfs/dbraw/zinc/54/42/65/633544265.db2.gz CKZJFUZMBRTDDO-UHFFFAOYSA-N 1 0 291.313 3.469 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)CC2(OC)CCC2)c1 ZINC000845973106 636126327 /nfs/dbraw/zinc/12/63/27/636126327.db2.gz XKGSFGKIRQCNQI-QWHCGFSZSA-N 1 0 293.407 3.399 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cccc(O)c1F ZINC000872017539 633938135 /nfs/dbraw/zinc/93/81/35/633938135.db2.gz BNFJMKOJWGMMSQ-LBPRGKRZSA-N 1 0 288.366 3.448 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC2(OC(C)C)CCC2)c1 ZINC000872116249 634041667 /nfs/dbraw/zinc/04/16/67/634041667.db2.gz PTBRZQKCJQXWTG-ZDUSSCGKSA-N 1 0 293.407 3.399 20 10 CGCDRO CCC[C@](C)(CO)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000124084506 634145912 /nfs/dbraw/zinc/14/59/12/634145912.db2.gz MOAHJWCIYXBZAM-GOSISDBHSA-N 1 0 290.451 3.318 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H]3CSC[C@H]3C2)cc1C ZINC000872721191 634195735 /nfs/dbraw/zinc/19/57/35/634195735.db2.gz CWVWFPUIXYXUNJ-DZGCQCFKSA-N 1 0 277.433 3.194 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H]3CSC[C@@H]3C2)cc1C ZINC000872721194 634196559 /nfs/dbraw/zinc/19/65/59/634196559.db2.gz CWVWFPUIXYXUNJ-ZFWWWQNUSA-N 1 0 277.433 3.194 20 10 CGCDRO CC(C)(C)OC(=O)CCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834611493 634196815 /nfs/dbraw/zinc/19/68/15/634196815.db2.gz LPBGPEUPWCIVMC-CYBMUJFWSA-N 1 0 291.391 3.091 20 10 CGCDRO C[C@@H](C[NH2+][C@@H]1CCc2cccc(O)c21)c1ccncc1 ZINC000834617125 634198178 /nfs/dbraw/zinc/19/81/78/634198178.db2.gz VJHLWELNLWDZKV-SWLSCSKDSA-N 1 0 268.360 3.168 20 10 CGCDRO CCC[C@@H](C)[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873006821 634229521 /nfs/dbraw/zinc/22/95/21/634229521.db2.gz SEIGTTSVMCHYMR-CQSZACIVSA-N 1 0 287.407 3.218 20 10 CGCDRO CO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(N(C)C)cc2)C12CCC2 ZINC000834768690 634239359 /nfs/dbraw/zinc/23/93/59/634239359.db2.gz DPGCZJZJAJCTCP-KBRIMQKVSA-N 1 0 288.435 3.361 20 10 CGCDRO OC[C@H](C[NH2+][C@H]1CCc2cccc(O)c21)CC1CCCC1 ZINC000834790692 634243850 /nfs/dbraw/zinc/24/38/50/634243850.db2.gz UUZGWOYUYKBFPA-HOCLYGCPSA-N 1 0 289.419 3.158 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@@H](C)C[C@H](C)O)cc1C ZINC000873103069 634246447 /nfs/dbraw/zinc/24/64/47/634246447.db2.gz WRHGTTFHXILCAT-KBPBESRZSA-N 1 0 265.397 3.033 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CC[C@@H](C)CCO)c1O ZINC000834832559 634251653 /nfs/dbraw/zinc/25/16/53/634251653.db2.gz QAYGXFMLZSGKFZ-PWSUYJOCSA-N 1 0 285.815 3.413 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](CC)c1cc(Cl)ccc1O)[C@@H](C)O ZINC000834888205 634269255 /nfs/dbraw/zinc/26/92/55/634269255.db2.gz NNSVFKFMUXISRF-WQAKAFBOSA-N 1 0 271.788 3.246 20 10 CGCDRO CCc1ncc(C[NH2+][C@H](C)c2c(C)cc(C)cc2O)o1 ZINC000834899703 634276410 /nfs/dbraw/zinc/27/64/10/634276410.db2.gz LKIDFGMSCMNPQH-GFCCVEGCSA-N 1 0 274.364 3.410 20 10 CGCDRO CC[C@@H]([NH2+]CC1(CC)COC1)c1ccc(C)cc1O ZINC000834900645 634278147 /nfs/dbraw/zinc/27/81/47/634278147.db2.gz QOOLDFVGKNOHPO-CQSZACIVSA-N 1 0 263.381 3.168 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]CCC[C@@H]2CCOC2)c2c1c(F)ccc2O ZINC000834902593 634279072 /nfs/dbraw/zinc/27/90/72/634279072.db2.gz HIBGRVWFLYNDIG-YRGRVCCFSA-N 1 0 293.382 3.486 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ncccc1OC)c1ccc(C)cc1O ZINC000834905010 634281133 /nfs/dbraw/zinc/28/11/33/634281133.db2.gz DSPUCACGVIEWMB-CQSZACIVSA-N 1 0 286.375 3.345 20 10 CGCDRO CCO[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834912320 634285219 /nfs/dbraw/zinc/28/52/19/634285219.db2.gz LKXKMQUBAYRZIO-IJEWVQPXSA-N 1 0 275.392 3.317 20 10 CGCDRO Cc1ccc(CC[NH2+]C/C=C/c2ccc(N(C)C)cc2)o1 ZINC000835035144 634327574 /nfs/dbraw/zinc/32/75/74/634327574.db2.gz GANWOGVQDCFBNJ-SNAWJCMRSA-N 1 0 284.403 3.500 20 10 CGCDRO Cc1ncc(C[NH2+]C/C=C\c2ccc(N(C)C)cc2)s1 ZINC000835037709 634328599 /nfs/dbraw/zinc/32/85/99/634328599.db2.gz LSDJCDWDNQXHAZ-PLNGDYQASA-N 1 0 287.432 3.321 20 10 CGCDRO C[C@H](O)CC(C)(C)C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835041128 634329884 /nfs/dbraw/zinc/32/98/84/634329884.db2.gz VQNZFFVFNJWTMC-LFAOLKIESA-N 1 0 290.451 3.153 20 10 CGCDRO CO[C@@H]1CCC[C@H]1C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835042695 634330318 /nfs/dbraw/zinc/33/03/18/634330318.db2.gz KXBMPYXESJMFOZ-BGYNLAARSA-N 1 0 288.435 3.171 20 10 CGCDRO C[C@H]([NH2+]C/C=C/c1ccc(N(C)C)cc1)C1CCOCC1 ZINC000835043185 634330755 /nfs/dbraw/zinc/33/07/55/634330755.db2.gz NRQMZDSSBJBHQD-RGDDUWESSA-N 1 0 288.435 3.171 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+]CC2(C)CCOCC2)cc1 ZINC000835044177 634331279 /nfs/dbraw/zinc/33/12/79/634331279.db2.gz XOYYKRXCRPVTHQ-SNAWJCMRSA-N 1 0 288.435 3.172 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+]C2(CCO)CCCC2)cc1 ZINC000835052397 634337033 /nfs/dbraw/zinc/33/70/33/634337033.db2.gz MTCKMUZDGWAGTI-AATRIKPKSA-N 1 0 288.435 3.051 20 10 CGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@@H]2C2CC2)cc1 ZINC000835053943 634338312 /nfs/dbraw/zinc/33/83/12/634338312.db2.gz GDUNFAMOJMVDIK-CWIOURORSA-N 1 0 256.393 3.250 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+]CC(C)(C)C(C)(C)O)cc1 ZINC000835055829 634339250 /nfs/dbraw/zinc/33/92/50/634339250.db2.gz ZXQOVCFXIGKPJT-FPLPWBNLSA-N 1 0 290.451 3.153 20 10 CGCDRO COC[C@H]1CCCC[N@@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC000835055076 634339320 /nfs/dbraw/zinc/33/93/20/634339320.db2.gz QJULJQWNVYNDIL-IPLHWJFFSA-N 1 0 288.435 3.267 20 10 CGCDRO C[C@H](F)CC[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835057166 634340890 /nfs/dbraw/zinc/34/08/90/634340890.db2.gz YQJHKWYBXNHLNF-IHVVCDCBSA-N 1 0 250.361 3.104 20 10 CGCDRO CCOc1ccc(C[NH2+][C@H](C2CC2)C2CCC2)c(O)c1 ZINC000835070093 634344390 /nfs/dbraw/zinc/34/43/90/634344390.db2.gz KTSHGOXCBXIIFH-KRWDZBQOSA-N 1 0 275.392 3.459 20 10 CGCDRO Cc1ccc(C[N@H+]2CCC[C@H]2c2cccn2C)c(O)c1 ZINC000876546248 634854744 /nfs/dbraw/zinc/85/47/44/634854744.db2.gz UJXLZPZJRPRHFH-INIZCTEOSA-N 1 0 270.376 3.376 20 10 CGCDRO CSC[C@H]1CCC[N@@H+]1Cc1c(C)cccc1O ZINC000876776633 634898277 /nfs/dbraw/zinc/89/82/77/634898277.db2.gz GHTFRKQBJUJHHD-GFCCVEGCSA-N 1 0 251.395 3.028 20 10 CGCDRO CCO[P@@](C)(=O)CC[C@H](C)[NH2+]Cc1ccccc1O ZINC000876995284 634946887 /nfs/dbraw/zinc/94/68/87/634946887.db2.gz DCEUTDDZDZVJGZ-HXPMCKFVSA-N 1 0 285.324 3.205 20 10 CGCDRO Cc1ccc(C[NH2+][C@H](C)Cc2cccc(O)c2)c(O)c1 ZINC000877016912 634950940 /nfs/dbraw/zinc/95/09/40/634950940.db2.gz CEONQQYBLQYJDU-CYBMUJFWSA-N 1 0 271.360 3.127 20 10 CGCDRO Cc1noc(C)c1C[C@@H](C)[NH2+]Cc1ccc(C)cc1O ZINC000877055098 634965685 /nfs/dbraw/zinc/96/56/85/634965685.db2.gz KWTYYXQWHUCJPX-LLVKDONJSA-N 1 0 274.364 3.026 20 10 CGCDRO CC[C@H](C)[C@H](C[NH2+]CCCSc1nccs1)OC ZINC000877061288 634967817 /nfs/dbraw/zinc/96/78/17/634967817.db2.gz CXXAEXXMJRDFDB-RYUDHWBXSA-N 1 0 288.482 3.276 20 10 CGCDRO CCc1cnc(CC[NH2+]Cc2c(C)cccc2O)s1 ZINC000877071898 634971909 /nfs/dbraw/zinc/97/19/09/634971909.db2.gz UMGJAFIUOPQEOO-UHFFFAOYSA-N 1 0 276.405 3.052 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]C[C@@H](C[C@@H](C)O)c1ccccc1 ZINC000877093203 634982346 /nfs/dbraw/zinc/98/23/46/634982346.db2.gz FVSJREMXGUMCQB-NVXWUHKLSA-N 1 0 299.414 3.345 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]CCC[C@H]1CCCC[C@@H]1O ZINC000877098886 634984956 /nfs/dbraw/zinc/98/49/56/634984956.db2.gz WTLAHPHQWRZQJP-ZBFHGGJFSA-N 1 0 277.408 3.122 20 10 CGCDRO Cc1nc(CC[NH2+]Cc2c(C)cccc2O)sc1C ZINC000877108926 634985731 /nfs/dbraw/zinc/98/57/31/634985731.db2.gz WBVUHANASZTLRM-UHFFFAOYSA-N 1 0 276.405 3.106 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c(O)c1 ZINC000877117589 634989447 /nfs/dbraw/zinc/98/94/47/634989447.db2.gz KHRXDCVDAHCBRP-UAGQMJEPSA-N 1 0 287.403 3.138 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(OC)nc1)c1ccc(N(C)C)cc1 ZINC000126417293 635016118 /nfs/dbraw/zinc/01/61/18/635016118.db2.gz ZWWDDUPQWJQKTO-KRWDZBQOSA-N 1 0 299.418 3.397 20 10 CGCDRO COCC[C@@H](Cc1ccco1)[NH2+]Cc1ccc(C)cc1O ZINC000877304898 635021640 /nfs/dbraw/zinc/02/16/40/635021640.db2.gz BGZLWYSZRCUMOS-HNNXBMFYSA-N 1 0 289.375 3.031 20 10 CGCDRO Cc1ccc(C[N@@H+](C)C[C@H](C)c2nccs2)c(O)c1 ZINC000877315871 635024328 /nfs/dbraw/zinc/02/43/28/635024328.db2.gz FDGKNZFJUJLEDE-LBPRGKRZSA-N 1 0 276.405 3.393 20 10 CGCDRO COC1CCC(CC[NH2+]Cc2ccc(C)cc2O)CC1 ZINC000877336861 635028054 /nfs/dbraw/zinc/02/80/54/635028054.db2.gz PFOUDUBZBUEUKI-UHFFFAOYSA-N 1 0 277.408 3.386 20 10 CGCDRO COC1(C[NH2+]Cc2ccc(C)cc2O)CCCCC1 ZINC000877409205 635037699 /nfs/dbraw/zinc/03/76/99/635037699.db2.gz ZJAIRWKEEPEQDU-UHFFFAOYSA-N 1 0 263.381 3.140 20 10 CGCDRO Cc1ccc(C[NH2+]CC[C@](C)(O)c2ccccc2)c(O)c1 ZINC000877440555 635042521 /nfs/dbraw/zinc/04/25/21/635042521.db2.gz CANYOTMWWSYJEL-SFHVURJKSA-N 1 0 285.387 3.088 20 10 CGCDRO Cc1cccc(O)c1C[N@H+]1CCSCC[C@@H]1C ZINC000877473309 635050085 /nfs/dbraw/zinc/05/00/85/635050085.db2.gz GFWLOFLYJQSVEI-LBPRGKRZSA-N 1 0 251.395 3.028 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCS[C@@H](C)CC1 ZINC000877476152 635051250 /nfs/dbraw/zinc/05/12/50/635051250.db2.gz WQXQLUPFGGNLJK-LBPRGKRZSA-N 1 0 251.395 3.028 20 10 CGCDRO Cc1ccc(C[N@@H+]2CC[C@H](CC(F)(F)F)C2)c(O)c1 ZINC000877480092 635053289 /nfs/dbraw/zinc/05/32/89/635053289.db2.gz ZZDCJVKMSWUDAJ-LLVKDONJSA-N 1 0 273.298 3.475 20 10 CGCDRO COc1ccc(C[NH2+]CCC(C)(C)SC)c(O)c1 ZINC000877494130 635059534 /nfs/dbraw/zinc/05/95/34/635059534.db2.gz TULOPMOMEFXTRS-UHFFFAOYSA-N 1 0 269.410 3.022 20 10 CGCDRO Cc1ccc(C[N@@H+]2CC[C@H](c3ccccn3)C2)c(O)c1 ZINC000877500026 635062371 /nfs/dbraw/zinc/06/23/71/635062371.db2.gz AECXSPANVRNFND-AWEZNQCLSA-N 1 0 268.360 3.085 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c(O)c1 ZINC000877529288 635072812 /nfs/dbraw/zinc/07/28/12/635072812.db2.gz YJJBGQDJHYYUOU-CVEARBPZSA-N 1 0 289.419 3.339 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)c1ccc(C)cc1O)[C@H](O)C(C)C ZINC000840884092 635072844 /nfs/dbraw/zinc/07/28/44/635072844.db2.gz ZAVHJBBXHMLWIR-IVMMDQJWSA-N 1 0 265.397 3.147 20 10 CGCDRO CCO[C@@H]1CCC[N@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000840907736 635079780 /nfs/dbraw/zinc/07/97/80/635079780.db2.gz HZYDNOKREYQDPX-GFCCVEGCSA-N 1 0 283.799 3.355 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C2C[C@@H](C)O[C@H](C)C2)c(Cl)c1 ZINC000840907445 635080025 /nfs/dbraw/zinc/08/00/25/635080025.db2.gz FAPSZDVTYCNQSY-GHMZBOCLSA-N 1 0 283.799 3.400 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCO[C@H](C)C2)c(Cl)c1 ZINC000840908745 635080355 /nfs/dbraw/zinc/08/03/55/635080355.db2.gz WKGANINXRAAMCO-NEPJUHHUSA-N 1 0 283.799 3.259 20 10 CGCDRO CCc1ncc(C[N@H+](CC)Cc2ccc(N(C)C)cc2)cn1 ZINC000840907491 635080362 /nfs/dbraw/zinc/08/03/62/635080362.db2.gz FNAWHMMZBGUBST-UHFFFAOYSA-N 1 0 298.434 3.127 20 10 CGCDRO Cc1cc(O)c(C[N@H+](C)C[C@H]2CCCCO2)c(Cl)c1 ZINC000840911573 635081359 /nfs/dbraw/zinc/08/13/59/635081359.db2.gz HYSONHNDCUIPNZ-GFCCVEGCSA-N 1 0 283.799 3.355 20 10 CGCDRO CSCCCC[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840933030 635084738 /nfs/dbraw/zinc/08/47/38/635084738.db2.gz DYNBJERJJDCMJQ-UHFFFAOYSA-N 1 0 266.454 3.294 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000840935190 635084980 /nfs/dbraw/zinc/08/49/80/635084980.db2.gz HYFJIEJITNZLTD-KSZLIROESA-N 1 0 288.435 3.108 20 10 CGCDRO CO[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2C)CC1 ZINC000840936474 635086202 /nfs/dbraw/zinc/08/62/02/635086202.db2.gz JPACGPJUYXEJAT-QGZVFWFLSA-N 1 0 276.424 3.062 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@H+](C)CCc1ccccn1 ZINC000840940052 635087337 /nfs/dbraw/zinc/08/73/37/635087337.db2.gz UOJBMKZJCZSSGV-UHFFFAOYSA-N 1 0 283.419 3.131 20 10 CGCDRO COCC1(C[NH2+]Cc2c(O)cc(C)cc2Cl)CCC1 ZINC000840942904 635088561 /nfs/dbraw/zinc/08/85/61/635088561.db2.gz MPFBTCQSGQJAIM-UHFFFAOYSA-N 1 0 283.799 3.260 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2cccc(C(F)(F)F)n2)c(O)c1 ZINC000877558952 635090900 /nfs/dbraw/zinc/09/09/00/635090900.db2.gz PKNQAAIPZSBRLR-UHFFFAOYSA-N 1 0 296.292 3.404 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]C[C@H]1CCOC2(CCC2)C1 ZINC000877564831 635093065 /nfs/dbraw/zinc/09/30/65/635093065.db2.gz MFXCHXQCVQAVDY-AWEZNQCLSA-N 1 0 275.392 3.140 20 10 CGCDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCO[C@@H](c2cccnc2)C1 ZINC000877568748 635095233 /nfs/dbraw/zinc/09/52/33/635095233.db2.gz WAGWKAUITSNDBU-CRAIPNDOSA-N 1 0 298.386 3.106 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]C[C@H]1CCSC1 ZINC000840975307 635099124 /nfs/dbraw/zinc/09/91/24/635099124.db2.gz FSNOKBCSDWTOJU-HUUCEWRRSA-N 1 0 292.492 3.335 20 10 CGCDRO CC[NH2+]Cc1cccc(NCc2cc(F)ccc2O)c1 ZINC000841042995 635113413 /nfs/dbraw/zinc/11/34/13/635113413.db2.gz NJAQWNFBUQEUEY-UHFFFAOYSA-N 1 0 274.339 3.253 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(C)cc1O)[C@@H]1CCCCO1 ZINC000877619352 635116155 /nfs/dbraw/zinc/11/61/55/635116155.db2.gz WWBMNNFGNYZUKT-HOCLYGCPSA-N 1 0 263.381 3.138 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000877633621 635124032 /nfs/dbraw/zinc/12/40/32/635124032.db2.gz OAZJOGPMKWZVIQ-CRAIPNDOSA-N 1 0 289.419 3.482 20 10 CGCDRO CCOc1cccc(C[NH+]2CCC(C)(F)CC2)c1O ZINC000877700841 635150861 /nfs/dbraw/zinc/15/08/61/635150861.db2.gz WCFYZOPSGLOEOG-UHFFFAOYSA-N 1 0 267.344 3.115 20 10 CGCDRO CCOc1ccc(CN2Cc3cccc(O)c3C2)cc1F ZINC000877702951 635153707 /nfs/dbraw/zinc/15/37/07/635153707.db2.gz LXPVYIDHCLXYBH-UHFFFAOYSA-N 1 0 287.334 3.446 20 10 CGCDRO Cc1cc(F)ccc1C[N@@H+]1Cc2cccc(O)c2C1 ZINC000877704048 635154950 /nfs/dbraw/zinc/15/49/50/635154950.db2.gz YGNLUSPDFNNKKJ-UHFFFAOYSA-N 1 0 257.308 3.356 20 10 CGCDRO CC[C@@H]1C[C@@H](C[NH2+][C@@H](C)c2ccccc2O)CCO1 ZINC000877757095 635185772 /nfs/dbraw/zinc/18/57/72/635185772.db2.gz FTWKMOUGNKCIDA-MELADBBJSA-N 1 0 263.381 3.248 20 10 CGCDRO CC[C@@H]1C[C@H](C[NH2+][C@H](C)c2ccccc2O)CCO1 ZINC000877756300 635186131 /nfs/dbraw/zinc/18/61/31/635186131.db2.gz FTWKMOUGNKCIDA-MGPQQGTHSA-N 1 0 263.381 3.248 20 10 CGCDRO CC(C)[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2O)CCO1 ZINC000877756279 635186346 /nfs/dbraw/zinc/18/63/46/635186346.db2.gz DXGAKDMWEHAPSF-XJKCOSOUSA-N 1 0 263.381 3.246 20 10 CGCDRO COc1cc(O)c(C[NH2+]CCC[C@@H]2C=CCC2)cc1OC ZINC000877805492 635209643 /nfs/dbraw/zinc/20/96/43/635209643.db2.gz JZPQSQIBSWBLBW-CYBMUJFWSA-N 1 0 291.391 3.245 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1CCCCO1)c1ccc(Cl)cc1O ZINC000841746029 635222418 /nfs/dbraw/zinc/22/24/18/635222418.db2.gz UGIHWHDYCFCQRK-PWSUYJOCSA-N 1 0 269.772 3.265 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H](O)c1ccsc1)c1ccc(Cl)cc1O ZINC000841748497 635224345 /nfs/dbraw/zinc/22/43/45/635224345.db2.gz ACPPLYCTZQVLMN-YMTOWFKASA-N 1 0 297.807 3.491 20 10 CGCDRO COc1ccncc1C[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841753357 635227298 /nfs/dbraw/zinc/22/72/98/635227298.db2.gz HGKFRBHLASRXBA-JTQLQIEISA-N 1 0 292.766 3.300 20 10 CGCDRO CO[C@@H](C[NH2+][C@@H](C)c1ccc(N(C)C)cc1)CC(C)C ZINC000841755305 635229113 /nfs/dbraw/zinc/22/91/13/635229113.db2.gz JANROEXKYARBKS-WMLDXEAASA-N 1 0 278.440 3.464 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCn2ccnc21)c1ccc(Cl)cc1O ZINC000841758600 635232024 /nfs/dbraw/zinc/23/20/24/635232024.db2.gz TUYDGBMKNFSJTM-CABZTGNLSA-N 1 0 277.755 3.038 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CCN(CC2CC2)C1)c1ccc(Cl)cc1O ZINC000841764115 635233240 /nfs/dbraw/zinc/23/32/40/635233240.db2.gz PFEXADVTFPNQHH-RISCZKNCSA-N 1 0 294.826 3.181 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)[C@H]1CC1(C)C ZINC000841891693 635248575 /nfs/dbraw/zinc/24/85/75/635248575.db2.gz SPOMKXPTBKJEMQ-VXGBXAGGSA-N 1 0 277.364 3.035 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CC[C@H]3C[C@H]3C2)cc1F ZINC000842776791 635468359 /nfs/dbraw/zinc/46/83/59/635468359.db2.gz PEWJVXOMQBCKEN-MELADBBJSA-N 1 0 262.372 3.170 20 10 CGCDRO C[C@H]1C[C@@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)CO1 ZINC000842776247 635468838 /nfs/dbraw/zinc/46/88/38/635468838.db2.gz ULGKCJDTCSZOCM-SUMWQHHRSA-N 1 0 283.371 3.326 20 10 CGCDRO CCOCc1cc(C[NH2+][C@@H]2CCS[C@H]2C)ccc1OC ZINC000842779425 635470650 /nfs/dbraw/zinc/47/06/50/635470650.db2.gz QMDTWGOKQKVEAR-SWLSCSKDSA-N 1 0 295.448 3.215 20 10 CGCDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cc(C)ccc2O)[C@@H]1SC ZINC000842922712 635511783 /nfs/dbraw/zinc/51/17/83/635511783.db2.gz CGRLIMJCWBJPKV-ZCDTZLGTSA-N 1 0 295.448 3.260 20 10 CGCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1cccc(F)c1F ZINC000843057093 635553323 /nfs/dbraw/zinc/55/33/23/635553323.db2.gz AIWYCIKXUBBEAF-UHFFFAOYSA-N 1 0 288.341 3.376 20 10 CGCDRO CN(C)c1ccc(/C=C/CN[C@H]2CC[NH2+]C23CCCC3)cc1 ZINC000843129068 635563331 /nfs/dbraw/zinc/56/33/31/635563331.db2.gz QJHSULDSXIYMTE-QWNKOJSDSA-N 1 0 299.462 3.030 20 10 CGCDRO Cc1cccc(C[NH2+][C@H](C(C)C)C2(CO)CC=CC2)c1O ZINC000843432376 635674157 /nfs/dbraw/zinc/67/41/57/635674157.db2.gz CBOUBMNDMWMTJO-QGZVFWFLSA-N 1 0 289.419 3.144 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H](C(C)C)C2(CO)CC=CC2)c1 ZINC000843432697 635674205 /nfs/dbraw/zinc/67/42/05/635674205.db2.gz IBHYLQBIPKJTON-QGZVFWFLSA-N 1 0 289.419 3.144 20 10 CGCDRO Oc1cc2c(cc1C[N@@H+]1CCCC[C@@H]1C1CCC1)OCO2 ZINC000843437875 635675928 /nfs/dbraw/zinc/67/59/28/635675928.db2.gz YOUKPYMNQCVFQC-CQSZACIVSA-N 1 0 289.375 3.276 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)cc1 ZINC000844467868 635911256 /nfs/dbraw/zinc/91/12/56/635911256.db2.gz JEILZNRVXYZFAJ-OAHLLOKOSA-N 1 0 280.362 3.374 20 10 CGCDRO COc1cc(C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)c(O)cc1C ZINC000844750351 635958880 /nfs/dbraw/zinc/95/88/80/635958880.db2.gz KPHWYBRVYHUBIK-OAHLLOKOSA-N 1 0 297.345 3.330 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+][C@H]1CNc2ccccc2C1 ZINC000844907095 635981214 /nfs/dbraw/zinc/98/12/14/635981214.db2.gz HHPBMMIZQPFOEN-CQSZACIVSA-N 1 0 288.778 3.172 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CNc3ccccc3C2)cc1F ZINC000844908587 635982154 /nfs/dbraw/zinc/98/21/54/635982154.db2.gz VPJNWBYINJISQH-HNNXBMFYSA-N 1 0 299.393 3.018 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CNc3ccccc3C2)c(O)c1 ZINC000844919549 635983131 /nfs/dbraw/zinc/98/31/31/635983131.db2.gz FSGVORXWTKMMPI-HIFRSBDPSA-N 1 0 282.387 3.388 20 10 CGCDRO CN1CCC[C@@H]1C[N@H+](C)Cc1c(O)ccc2ccccc21 ZINC000211291173 636067780 /nfs/dbraw/zinc/06/77/80/636067780.db2.gz DBQZSMHYKRJWKR-OAHLLOKOSA-N 1 0 284.403 3.071 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cc(C2CC2)nn1C)c1ccccc1O ZINC000845992288 636127805 /nfs/dbraw/zinc/12/78/05/636127805.db2.gz ICVOYZDVUSAWGY-OAHLLOKOSA-N 1 0 285.391 3.244 20 10 CGCDRO COc1ccc(C2CC[NH+](Cc3ccccc3O)CC2)nc1 ZINC000845997220 636127890 /nfs/dbraw/zinc/12/78/90/636127890.db2.gz ZAAFSZQIXAIYRY-UHFFFAOYSA-N 1 0 298.386 3.175 20 10 CGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1C)[C@H]1CCCOC1 ZINC000846053994 636138856 /nfs/dbraw/zinc/13/88/56/636138856.db2.gz ZXJQHVBLOHBODP-KRWDZBQOSA-N 1 0 276.424 3.062 20 10 CGCDRO COc1cccc(O)c1C[NH+]1CCC2(CC2(F)F)CC1 ZINC000846054148 636138886 /nfs/dbraw/zinc/13/88/86/636138886.db2.gz DXYBCDSQTIEPPI-UHFFFAOYSA-N 1 0 283.318 3.022 20 10 CGCDRO COc1cccc(C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)c1O ZINC000846107116 636144269 /nfs/dbraw/zinc/14/42/69/636144269.db2.gz FNFKMWJIYCNZFA-CQSZACIVSA-N 1 0 283.318 3.022 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]Cc2ccsc2)c1O ZINC000846139832 636148991 /nfs/dbraw/zinc/14/89/91/636148991.db2.gz AIVLZQODSJIXMS-SNVBAGLBSA-N 1 0 263.362 3.313 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@H](C)Cc2ccncc2)c1O ZINC000846150935 636149794 /nfs/dbraw/zinc/14/97/94/636149794.db2.gz TWEXDGCGYQHYJE-OLZOCXBDSA-N 1 0 286.375 3.078 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]CCSCC(C)C)c1O ZINC000846155756 636150371 /nfs/dbraw/zinc/15/03/71/636150371.db2.gz CLBISQFRLIXPJX-LBPRGKRZSA-N 1 0 283.437 3.441 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+][C@H](C)CC(C)C)c1O ZINC000846158108 636150476 /nfs/dbraw/zinc/15/04/76/636150476.db2.gz SNDBQNSRFUEJLN-VXGBXAGGSA-N 1 0 251.370 3.486 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H]2C[C@H]2C2CCC2)c1O ZINC000846173440 636153759 /nfs/dbraw/zinc/15/37/59/636153759.db2.gz RHZGPVUOZBAXHX-ZLDLUXBVSA-N 1 0 275.392 3.488 20 10 CGCDRO CC[C@H](C)[C@H](C[NH2+][C@@H](C)c1cccc(OC)c1O)OC ZINC000846172625 636153988 /nfs/dbraw/zinc/15/39/88/636153988.db2.gz ZOOPAJGKQQNBCW-HUBLWGQQSA-N 1 0 281.396 3.113 20 10 CGCDRO CO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000846198135 636158034 /nfs/dbraw/zinc/15/80/34/636158034.db2.gz CXJHTTIZPMBAMO-IAOVAPTHSA-N 1 0 276.424 3.361 20 10 CGCDRO CC(C)COCC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000129797006 636372493 /nfs/dbraw/zinc/37/24/93/636372493.db2.gz GFFHYPBJLRQBII-CQSZACIVSA-N 1 0 264.413 3.076 20 10 CGCDRO CSC[C@@H]1CCC[N@@H+]1Cc1cc(C)c(C)cc1O ZINC000130911355 636528448 /nfs/dbraw/zinc/52/84/48/636528448.db2.gz ZQIDTRGQYWZVRX-AWEZNQCLSA-N 1 0 265.422 3.336 20 10 CGCDRO CCC[C@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000131071788 636551091 /nfs/dbraw/zinc/55/10/91/636551091.db2.gz FCABHPXVKWBDDV-LSDHHAIUSA-N 1 0 276.424 3.362 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](C)C(=O)OC(C)(C)C)c(O)c1 ZINC000848563905 636607662 /nfs/dbraw/zinc/60/76/62/636607662.db2.gz YWVRACCBPCAVFU-QWHCGFSZSA-N 1 0 293.407 3.329 20 10 CGCDRO CCOc1ccc(C[NH2+]CC2(C)CC(F)(F)C2)c(O)c1 ZINC000883250202 636620462 /nfs/dbraw/zinc/62/04/62/636620462.db2.gz HOCDAQPXZJJVQD-UHFFFAOYSA-N 1 0 285.334 3.316 20 10 CGCDRO Oc1ccccc1C[NH2+]CC[C@@H]1CCCC1(F)F ZINC000883266736 636638582 /nfs/dbraw/zinc/63/85/82/636638582.db2.gz IBVLPWNRCIOUDT-LBPRGKRZSA-N 1 0 255.308 3.307 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2C[C@@H](COC)C2)cc1F ZINC000883316912 636666542 /nfs/dbraw/zinc/66/65/42/636666542.db2.gz NIMKVDKDRQTWIS-GASCZTMLSA-N 1 0 294.414 3.187 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H]2CCCc3[nH]c(=O)ccc32)c1O ZINC000848892689 636678534 /nfs/dbraw/zinc/67/85/34/636678534.db2.gz DUJNBMNWSRFPEW-OAHLLOKOSA-N 1 0 298.386 3.222 20 10 CGCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(CC)c2O)C12CCC2 ZINC000848897005 636679840 /nfs/dbraw/zinc/67/98/40/636679840.db2.gz LYWIGHWGXDDEJD-JKSUJKDBSA-N 1 0 289.419 3.392 20 10 CGCDRO CCCC[C@@H](COC)[NH2+]Cc1cccc(CC)c1O ZINC000848897949 636680893 /nfs/dbraw/zinc/68/08/93/636680893.db2.gz XGNHEYCVEVANDW-HNNXBMFYSA-N 1 0 265.397 3.249 20 10 CGCDRO CCc1cccc(C[NH2+][C@H](CCO)C2CCCCC2)c1O ZINC000848900504 636681593 /nfs/dbraw/zinc/68/15/93/636681593.db2.gz MSKCHMIURVFPGL-QGZVFWFLSA-N 1 0 291.435 3.376 20 10 CGCDRO CCc1cccc(C[NH+]2CCC([C@H]3CCOC3)CC2)c1O ZINC000848901866 636683138 /nfs/dbraw/zinc/68/31/38/636683138.db2.gz FGPLAWZKYRHEBJ-KRWDZBQOSA-N 1 0 289.419 3.203 20 10 CGCDRO CCc1cccc(C[N@@H+]2C[C@H](N3CCCC3)C[C@@H]2C)c1O ZINC000848909881 636686697 /nfs/dbraw/zinc/68/66/97/636686697.db2.gz BYVOYNBBQOJHJA-WMLDXEAASA-N 1 0 288.435 3.013 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@@H]2COc3ccccc32)c1O ZINC000848912263 636687524 /nfs/dbraw/zinc/68/75/24/636687524.db2.gz CUWNEVKIOHUVSV-OAHLLOKOSA-N 1 0 283.371 3.220 20 10 CGCDRO CCc1cccc(CNc2cc3c(c[nH+]2)CCC3)c1O ZINC000848915140 636688333 /nfs/dbraw/zinc/68/83/33/636688333.db2.gz YULDQYGYCSSQGE-UHFFFAOYSA-N 1 0 268.360 3.450 20 10 CGCDRO CCc1cccc(C[NH2+][C@H]2C[C@@H](OC(C)C)C2)c1O ZINC000848916416 636689736 /nfs/dbraw/zinc/68/97/36/636689736.db2.gz HNQUXWUGLGMZCP-GASCZTMLSA-N 1 0 263.381 3.000 20 10 CGCDRO CCc1cccc(C[N@H+](C)C[C@](C)(O)c2ccccc2)c1O ZINC000848917444 636689924 /nfs/dbraw/zinc/68/99/24/636689924.db2.gz GHSKNPUJXUQJHA-IBGZPJMESA-N 1 0 299.414 3.294 20 10 CGCDRO CCc1cccc(C[N@H+](C)C[C@@](C)(O)c2ccccc2)c1O ZINC000848917445 636690384 /nfs/dbraw/zinc/69/03/84/636690384.db2.gz GHSKNPUJXUQJHA-LJQANCHMSA-N 1 0 299.414 3.294 20 10 CGCDRO COC[C@H](CC(C)(C)C)[NH2+]Cc1cc(F)ccc1O ZINC000848925954 636699144 /nfs/dbraw/zinc/69/91/44/636699144.db2.gz IRZPISKLEILMTP-ZDUSSCGKSA-N 1 0 269.360 3.072 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C2CCC3(COC3)CC2)c1 ZINC000883381000 636722412 /nfs/dbraw/zinc/72/24/12/636722412.db2.gz DWTOTGFJFRQOCL-LBPRGKRZSA-N 1 0 291.391 3.011 20 10 CGCDRO CC[C@H]([NH2+]C1CCC2(COC2)CC1)c1ccccc1O ZINC000883381406 636723790 /nfs/dbraw/zinc/72/37/90/636723790.db2.gz MCGMAHWBEQIACQ-HNNXBMFYSA-N 1 0 275.392 3.392 20 10 CGCDRO CC[C@@H]([NH2+]CCCSc1nccs1)[C@H]1CCOC1 ZINC000132276111 636797664 /nfs/dbraw/zinc/79/76/64/636797664.db2.gz CLZUJUDJZJATOW-NWDGAFQWSA-N 1 0 286.466 3.030 20 10 CGCDRO Oc1ccccc1C[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000134236753 637008854 /nfs/dbraw/zinc/00/88/54/637008854.db2.gz IHLRRLYTLTUTIG-UHFFFAOYSA-N 1 0 279.343 3.072 20 10 CGCDRO CC[C@@H](COCC1CC1)[NH2+]Cc1cc(C)c(C)cc1O ZINC000850349521 637022566 /nfs/dbraw/zinc/02/25/66/637022566.db2.gz GVFHHCXZPKWMIK-INIZCTEOSA-N 1 0 277.408 3.304 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@H]2COC3(CCC3)C2)cc1 ZINC000850368833 637032016 /nfs/dbraw/zinc/03/20/16/637032016.db2.gz CCLNQHBJBNHFMA-LLCTXKFZSA-N 1 0 286.419 3.067 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2C[C@@H](O)c3ccccc32)c1 ZINC000850372479 637035120 /nfs/dbraw/zinc/03/51/20/637035120.db2.gz VCYSVPDOEBECEB-SJLPKXTDSA-N 1 0 299.370 3.059 20 10 CGCDRO CCOCc1cc(C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)ccc1OC ZINC000850392364 637045734 /nfs/dbraw/zinc/04/57/34/637045734.db2.gz IOMMAUBMVZMEHE-QLPKVWCKSA-N 1 0 275.392 3.120 20 10 CGCDRO CCOc1cccc(C[NH2+]CCCc2ccco2)c1O ZINC000850407462 637050399 /nfs/dbraw/zinc/05/03/99/637050399.db2.gz JDPKOOFXEBFBLL-UHFFFAOYSA-N 1 0 275.348 3.106 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2COC(C)(C)C2)c(O)c1C ZINC000850482677 637086691 /nfs/dbraw/zinc/08/66/91/637086691.db2.gz QUTKYXUJDPCWOD-OLZOCXBDSA-N 1 0 263.381 3.227 20 10 CGCDRO CC[C@H](C)[C@H](C)[NH2+][C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850486708 637087613 /nfs/dbraw/zinc/08/76/13/637087613.db2.gz CXHWETZYDAWWHJ-KKUMJFAQSA-N 1 0 276.424 3.298 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[C@@H]3C(C)C)C2)cc1 ZINC000850488372 637087950 /nfs/dbraw/zinc/08/79/50/637087950.db2.gz MNNKVQMNMKSPQA-BMGDILEWSA-N 1 0 288.435 3.298 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CCN(C(C)(C)C)C1)c1ccc(N(C)C)cc1 ZINC000850495015 637090908 /nfs/dbraw/zinc/09/09/08/637090908.db2.gz VALDHGKPRBSXFV-ZBFHGGJFSA-N 1 0 289.467 3.276 20 10 CGCDRO CC[C@H]([NH2+]C/C=C\CO)c1ccc(C(F)(F)F)cc1O ZINC000850506914 637094222 /nfs/dbraw/zinc/09/42/22/637094222.db2.gz CNFYTWQFVZDYMN-MVZIDQBPSA-N 1 0 289.297 3.000 20 10 CGCDRO Cc1ccncc1CC[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000850508246 637095155 /nfs/dbraw/zinc/09/51/55/637095155.db2.gz SNMFCIMPOFVFQH-LBPRGKRZSA-N 1 0 274.339 3.128 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@H](C)c2cscn2)c1O ZINC000850511262 637097613 /nfs/dbraw/zinc/09/76/13/637097613.db2.gz ARVFIDLSTVPYJO-VHSXEESVSA-N 1 0 278.377 3.269 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H](CO)CC1CC1)c1ccc(N(C)C)cc1 ZINC000850544066 637115712 /nfs/dbraw/zinc/11/57/12/637115712.db2.gz BYRGPQORVGSQEV-CRAIPNDOSA-N 1 0 290.451 3.202 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1C[C@H](O)C12CCC2)c1cc(Cl)ccc1O ZINC000850547812 637116413 /nfs/dbraw/zinc/11/64/13/637116413.db2.gz XAHRUKPYLZRETM-CFVMTHIKSA-N 1 0 295.810 3.390 20 10 CGCDRO CC[C@H]([NH2+][C@H]1C[C@H](O)C12CCC2)c1ccc(N(C)C)cc1 ZINC000850548053 637116949 /nfs/dbraw/zinc/11/69/49/637116949.db2.gz XWNHQCXUOWAHPZ-ULQDDVLXSA-N 1 0 288.435 3.097 20 10 CGCDRO CC[C@H]([NH2+]CCc1cncc(C)n1)c1ccc(C)cc1O ZINC000850548819 637117349 /nfs/dbraw/zinc/11/73/49/637117349.db2.gz AUCVEHCOBMKQME-INIZCTEOSA-N 1 0 285.391 3.082 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1C(C)(C)C1(F)F)c1ccccc1O ZINC000850553527 637118538 /nfs/dbraw/zinc/11/85/38/637118538.db2.gz YFMXHMMZMQFUJZ-JOYOIKCWSA-N 1 0 255.308 3.334 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCOC2(C)C)c2c1c(F)ccc2O ZINC000850571197 637128745 /nfs/dbraw/zinc/12/87/45/637128745.db2.gz OODCZPLIZNVHJV-NTZNESFSSA-N 1 0 293.382 3.484 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)c1nccn1C)c1ccc(C)cc1O ZINC000850572855 637129388 /nfs/dbraw/zinc/12/93/88/637129388.db2.gz PRJBWPXPBBUCRM-JSGCOSHPSA-N 1 0 273.380 3.236 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](c2ccccc2)[C@H](C)O)c1 ZINC000850581964 637132157 /nfs/dbraw/zinc/13/21/57/637132157.db2.gz AJDJCUCYIFNNER-DEYYWGMASA-N 1 0 285.387 3.473 20 10 CGCDRO C[C@H]1CCCC[C@@H]1OCC[N@H+](C)Cc1ccccc1O ZINC000109771507 637268068 /nfs/dbraw/zinc/26/80/68/637268068.db2.gz RFLVZFQAMSTFIL-YOEHRIQHSA-N 1 0 277.408 3.419 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]C[C@@H]1CC2(CCC2)CO1 ZINC000886288566 637485820 /nfs/dbraw/zinc/48/58/20/637485820.db2.gz BSAKCCIPSKHZEW-NSHDSACASA-N 1 0 281.783 3.094 20 10 CGCDRO C[C@H]([NH2+]CCOCCF)c1ccc(N2CCCCC2)cc1 ZINC000853239073 637791486 /nfs/dbraw/zinc/79/14/86/637791486.db2.gz ZBWVGYBGIIXWGJ-HNNXBMFYSA-N 1 0 294.414 3.314 20 10 CGCDRO C[N@H+](Cc1cnn(-c2ccccc2)c1)Cc1ccccc1O ZINC000111235282 637804182 /nfs/dbraw/zinc/80/41/82/637804182.db2.gz OYSZTAKPUKAKCC-UHFFFAOYSA-N 1 0 293.370 3.210 20 10 CGCDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2cc(F)ccc2O)[C@H]1C ZINC000300416118 637838204 /nfs/dbraw/zinc/83/82/04/637838204.db2.gz KCBMRKRVNUINQT-UHIISALHSA-N 1 0 251.345 3.446 20 10 CGCDRO COc1cccc(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)c1O ZINC000111398484 637861230 /nfs/dbraw/zinc/86/12/30/637861230.db2.gz HOZNHDZYFVFPKS-HOTGVXAUSA-N 1 0 283.371 3.294 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@H+](C)CC2=CCSC2)c1 ZINC000853619083 637874367 /nfs/dbraw/zinc/87/43/67/637874367.db2.gz VHBDMCQHMUGRSX-UHFFFAOYSA-N 1 0 263.406 3.114 20 10 CGCDRO C[C@H](NCC12CC(C1)C[NH2+]2)c1ccc(N2CCCCC2)cc1 ZINC000854226569 638027218 /nfs/dbraw/zinc/02/72/18/638027218.db2.gz IFEVZTXZCZJTTP-LYGPFTKASA-N 1 0 299.462 3.080 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCc2cc(N)ccc21)c1ccccc1O ZINC000854225359 638027358 /nfs/dbraw/zinc/02/73/58/638027358.db2.gz DJECUFWNAXSQOW-ZBEGNZNMSA-N 1 0 268.360 3.313 20 10 CGCDRO C[NH2+]C[C@H](C)N[C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000854231468 638029837 /nfs/dbraw/zinc/02/98/37/638029837.db2.gz DQBHBQAAGQUBKW-UONOGXRCSA-N 1 0 293.430 3.075 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2cc3ccccc3[nH]2)c1 ZINC000113330887 638200549 /nfs/dbraw/zinc/20/05/49/638200549.db2.gz AOTCHLFDKBNHGF-UHFFFAOYSA-N 1 0 266.344 3.472 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]C1CC2(CCC2)C1 ZINC000829314227 638215885 /nfs/dbraw/zinc/21/58/85/638215885.db2.gz LTAQGVJUERSKSS-UHFFFAOYSA-N 1 0 251.757 3.468 20 10 CGCDRO Cc1cc(N(C)C)ccc1CN[C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925498331 638243400 /nfs/dbraw/zinc/24/34/00/638243400.db2.gz OKOHVPWXKIMWJB-BEFAXECRSA-N 1 0 297.446 3.239 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+]CC[C@@H]2CC2(F)F)cc1 ZINC000856802968 638392051 /nfs/dbraw/zinc/39/20/51/638392051.db2.gz WHKXSEATULCFCG-VQTKUKTRSA-N 1 0 280.362 3.401 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)C1(Cl)CC1 ZINC000924863111 638417727 /nfs/dbraw/zinc/41/77/27/638417727.db2.gz UXYPIDOTWJRVAO-JTQLQIEISA-N 1 0 270.779 3.141 20 10 CGCDRO C[C@H]([NH2+]CC1CC(C)C1)c1ccc(N2CCOCC2)cc1 ZINC000857084297 638455270 /nfs/dbraw/zinc/45/52/70/638455270.db2.gz LUIRBAILFJIOKM-PCKAHOCUSA-N 1 0 288.435 3.220 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCC(C)(C)[NH3+])c1O ZINC000925737486 638589523 /nfs/dbraw/zinc/58/95/23/638589523.db2.gz JEFLJGRONMFLTB-SNVBAGLBSA-N 1 0 270.804 3.132 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[N@@H+]2CCOc3ccc(N)cc3C2)c1 ZINC000925755751 638598437 /nfs/dbraw/zinc/59/84/37/638598437.db2.gz XNKFXRUNYKTBCV-ZDUSSCGKSA-N 1 0 298.386 3.238 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+]CC[C@@H]2CCCOC2)cc1 ZINC000858206243 638657162 /nfs/dbraw/zinc/65/71/62/638657162.db2.gz IVFXRXBRQZIMSF-IVZVJUQRSA-N 1 0 288.435 3.172 20 10 CGCDRO Cc1ccc(C(C)(C)C[NH2+]Cc2ccccc2O)nc1 ZINC000858241806 638662870 /nfs/dbraw/zinc/66/28/70/638662870.db2.gz FVPVUTVKKVLFQJ-UHFFFAOYSA-N 1 0 270.376 3.163 20 10 CGCDRO C/C=C\C[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000858290873 638673186 /nfs/dbraw/zinc/67/31/86/638673186.db2.gz IWUWTDUISJQQLW-SREVYHEPSA-N 1 0 263.381 3.364 20 10 CGCDRO COc1cccc(O)c1C[NH2+]C[C@@H]1CCCC12CC2 ZINC000858332250 638684513 /nfs/dbraw/zinc/68/45/13/638684513.db2.gz GZUPHXNGRNKDSG-LBPRGKRZSA-N 1 0 261.365 3.071 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CC=C(C(=O)OC)C1)c1ccc(C)cc1O ZINC000858474826 638731349 /nfs/dbraw/zinc/73/13/49/638731349.db2.gz UVAGLAFDPNDOCT-HIFRSBDPSA-N 1 0 289.375 3.003 20 10 CGCDRO CC(C)CC[C@H](CO)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000858484839 638736464 /nfs/dbraw/zinc/73/64/64/638736464.db2.gz CPJKWDXRXHISHQ-WCQYABFASA-N 1 0 285.815 3.493 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1C[C@@H](O)C1)c1ccc(N2CCCCC2)cc1 ZINC000858545218 638758422 /nfs/dbraw/zinc/75/84/22/638758422.db2.gz KLLKNHQTYQSBMN-RKVPGOIHSA-N 1 0 288.435 3.098 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@]2(C)CCCCO2)c(O)c1 ZINC000927017434 638832158 /nfs/dbraw/zinc/83/21/58/638832158.db2.gz IWPJEPFOVWQKNC-XJKSGUPXSA-N 1 0 263.381 3.310 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H](c2cnn(C)c2)C(C)C)c(O)c1 ZINC000927070530 638838014 /nfs/dbraw/zinc/83/80/14/638838014.db2.gz OPEHPIQHEOVXJU-DYVFJYSZSA-N 1 0 287.407 3.482 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cc(C3CC3)nn2C)c(O)c1 ZINC000927102987 638842745 /nfs/dbraw/zinc/84/27/45/638842745.db2.gz VXAKVNDJYTVUGV-GFCCVEGCSA-N 1 0 285.391 3.162 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCC[C@H](C)[C@H]2C)c1 ZINC000034675406 638866085 /nfs/dbraw/zinc/86/60/85/638866085.db2.gz FAKCQOFIIMTOPJ-YWPYICTPSA-N 1 0 263.381 3.315 20 10 CGCDRO CN(C)c1ccc(C[NH+]2CCC(c3ncco3)CC2)cc1 ZINC000931443829 639149580 /nfs/dbraw/zinc/14/95/80/639149580.db2.gz FPUIURSCJYHTHG-UHFFFAOYSA-N 1 0 285.391 3.120 20 10 CGCDRO CS[C@@H]1CCC[C@@H]([NH2+]Cc2cc(C)ccc2O)C1 ZINC000117394886 639326186 /nfs/dbraw/zinc/32/61/86/639326186.db2.gz JDDVXIPLMPXNSS-ZIAGYGMSSA-N 1 0 265.422 3.464 20 10 CGCDRO COC1(C[NH2+]Cc2ccc(N(C)C)cc2)CCCCC1 ZINC000187448967 639451121 /nfs/dbraw/zinc/45/11/21/639451121.db2.gz MJXQZVHZJJRYKX-UHFFFAOYSA-N 1 0 276.424 3.192 20 10 CGCDRO Cc1ncc(C[NH2+]Cc2cc(Cl)ccc2O)s1 ZINC000040997440 639898749 /nfs/dbraw/zinc/89/87/49/639898749.db2.gz DQVADWXRJQTWCL-UHFFFAOYSA-N 1 0 268.769 3.100 20 10 CGCDRO C[C@H]([NH2+]Cc1cnn(C)c1)c1ccc2ccccc2c1O ZINC000041158831 639900157 /nfs/dbraw/zinc/90/01/57/639900157.db2.gz QCBXOWVRDKVRKE-LBPRGKRZSA-N 1 0 281.359 3.130 20 10 CGCDRO Cc1cccc(C[NH2+]CCc2ccc(F)cc2C)c1O ZINC000158138366 639998926 /nfs/dbraw/zinc/99/89/26/639998926.db2.gz ZDFJKFVSUHORAM-UHFFFAOYSA-N 1 0 273.351 3.480 20 10 CGCDRO CC1(C)CC[C@H](C[NH2+]Cc2cc(Cl)ccc2O)O1 ZINC000189735154 640205681 /nfs/dbraw/zinc/20/56/81/640205681.db2.gz YQMFTCWFKHYGMM-GFCCVEGCSA-N 1 0 269.772 3.093 20 10 CGCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCCSCC2)c1 ZINC000077442787 640239349 /nfs/dbraw/zinc/23/93/49/640239349.db2.gz VNOPCGIMVQGAFX-UHFFFAOYSA-N 1 0 295.448 3.334 20 10 CGCDRO CC[C@H]([NH2+][C@@H](CO)Cc1ccc(C)cc1)c1ccccc1O ZINC000191578984 640320882 /nfs/dbraw/zinc/32/08/82/640320882.db2.gz CMPYUZMTTGEIET-AEFFLSMTSA-N 1 0 299.414 3.345 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]CCc1ccccc1 ZINC000083551316 640596947 /nfs/dbraw/zinc/59/69/47/640596947.db2.gz KSVJUGWTYORPCN-UHFFFAOYSA-N 1 0 261.752 3.378 20 10 CGCDRO C[C@@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000245617317 640628821 /nfs/dbraw/zinc/62/88/21/640628821.db2.gz VPPSTVIWRQJBCT-MGPQQGTHSA-N 1 0 276.424 3.359 20 10 CGCDRO C[C@@H]([NH2+]CCOc1ccccc1)c1cc(F)ccc1O ZINC000094617940 640799727 /nfs/dbraw/zinc/79/97/27/640799727.db2.gz XOYFGIZIEPPYBX-GFCCVEGCSA-N 1 0 275.323 3.261 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cc(F)ccc1O ZINC000094617615 640800278 /nfs/dbraw/zinc/80/02/78/640800278.db2.gz OOJGGQCMONPGMZ-JTQLQIEISA-N 1 0 290.294 3.290 20 10 CGCDRO CCOc1cccc(C[NH2+]Cc2cscc2C)c1O ZINC000094877003 640804415 /nfs/dbraw/zinc/80/44/15/640804415.db2.gz SQFLYCZIJUATOK-UHFFFAOYSA-N 1 0 277.389 3.451 20 10 CGCDRO CO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000279605237 641034913 /nfs/dbraw/zinc/03/49/13/641034913.db2.gz WSEARBDRTWRFAL-JGGQBBKZSA-N 1 0 263.381 3.309 20 10 CGCDRO c1cc(Nc2ccc3c(c2)CCN3)cc2c1C[NH2+]C2 ZINC001159522154 806117111 /nfs/dbraw/zinc/11/71/11/806117111.db2.gz DJYIECANZRHZGR-UHFFFAOYSA-N 1 0 251.333 3.001 20 10 CGCDRO CC(C)(C[NH3+])c1ccc(Nc2ccc(N)cc2)cc1 ZINC001159580623 806124814 /nfs/dbraw/zinc/12/48/14/806124814.db2.gz TZXQQNOEVFOCCE-UHFFFAOYSA-N 1 0 255.365 3.249 20 10 CGCDRO Cc1cnc(NCc2cc3ccccc3cc2O)c(C[NH3+])c1 ZINC001160207612 806234764 /nfs/dbraw/zinc/23/47/64/806234764.db2.gz ZKUCHLRJUWAZBP-UHFFFAOYSA-N 1 0 293.370 3.320 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC001254721179 806487201 /nfs/dbraw/zinc/48/72/01/806487201.db2.gz LMQIAKPZHJPHBA-KBXIAJHMSA-N 1 0 289.419 3.390 20 10 CGCDRO C[C@@H]([NH2+][C@H](Cn1ccnc1)C(C)(C)C)c1ccccc1O ZINC000037156704 798862901 /nfs/dbraw/zinc/86/29/01/798862901.db2.gz HLPUOFYOCTXAPG-CZUORRHYSA-N 1 0 287.407 3.354 20 10 CGCDRO c1cc(N2CCCC2)ccc1C[NH2+]CCCOCC1CC1 ZINC000037237060 798863965 /nfs/dbraw/zinc/86/39/65/798863965.db2.gz RBMPJZAQIUKQLT-UHFFFAOYSA-N 1 0 288.435 3.193 20 10 CGCDRO C[C@H](CN1CCCCC1)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000037319551 798866547 /nfs/dbraw/zinc/86/65/47/798866547.db2.gz ZZBBUPDHLQUNJA-HZPDHXFCSA-N 1 0 289.467 3.278 20 10 CGCDRO COc1ccc(C[NH2+]C[C@@H]2Cc3ccccc3O2)cc1C ZINC000037986390 798881638 /nfs/dbraw/zinc/88/16/38/798881638.db2.gz MQKMQTJFWHCXQB-INIZCTEOSA-N 1 0 283.371 3.097 20 10 CGCDRO OCC1([NH2+]Cc2ccc(N3CCCC3)cc2)CCCCC1 ZINC000053096531 798897614 /nfs/dbraw/zinc/89/76/14/798897614.db2.gz ZFDWJNLFFUMZET-UHFFFAOYSA-N 1 0 288.435 3.072 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]C[C@]2(N(C)C)CCC[C@H](C)C2)c1 ZINC000071408275 798916859 /nfs/dbraw/zinc/91/68/59/798916859.db2.gz KCRLPTLORONOGD-YJBOKZPZSA-N 1 0 290.451 3.301 20 10 CGCDRO c1cc(N2CCCC2)ccc1C[NH2+]C[C@@H]1CCCS1 ZINC000122022507 798989304 /nfs/dbraw/zinc/98/93/04/798989304.db2.gz VGPHGMXCLQUFDN-INIZCTEOSA-N 1 0 276.449 3.272 20 10 CGCDRO C[C@@H]([NH2+]C1(C)CC1)c1cc(Br)ccc1O ZINC000308892801 799218204 /nfs/dbraw/zinc/21/82/04/799218204.db2.gz YJLPRDQONSEPLL-MRVPVSSYSA-N 1 0 270.170 3.358 20 10 CGCDRO Cc1cc(C[NH2+]Cc2cnn(C)c2)c(C)n1-c1ccccc1 ZINC000315396572 799235975 /nfs/dbraw/zinc/23/59/75/799235975.db2.gz SLVJSCTVOFNREH-UHFFFAOYSA-N 1 0 294.402 3.117 20 10 CGCDRO CCC(CC)[C@H](C[NH2+][C@H]1CCc2cccc(O)c21)N(C)C ZINC000315646306 799238547 /nfs/dbraw/zinc/23/85/47/799238547.db2.gz XODSGRWSEISQNZ-HOTGVXAUSA-N 1 0 290.451 3.336 20 10 CGCDRO Cc1cc(C[NH2+]Cc2ccc3c(c2)CCO3)cs1 ZINC000381214744 799374411 /nfs/dbraw/zinc/37/44/11/799374411.db2.gz YENDWIQEUNGBHT-UHFFFAOYSA-N 1 0 259.374 3.281 20 10 CGCDRO CSCC[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000381569375 799381896 /nfs/dbraw/zinc/38/18/96/799381896.db2.gz WIJQSWZKNVAAFH-VIFPVBQESA-N 1 0 259.802 3.368 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2COc3ccccc3O2)c(O)c1 ZINC000386195316 799432870 /nfs/dbraw/zinc/43/28/70/799432870.db2.gz IZZSXRYTUONHRG-KGLIPLIRSA-N 1 0 299.370 3.191 20 10 CGCDRO CCOc1cccc(C[NH2+][C@H]2CC23CCCC3)c1O ZINC000387145294 799443191 /nfs/dbraw/zinc/44/31/91/799443191.db2.gz OIOVUOXYDPWNAB-AWEZNQCLSA-N 1 0 261.365 3.213 20 10 CGCDRO CO[C@@H]([C@@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1)C1CC1 ZINC000388293697 799452019 /nfs/dbraw/zinc/45/20/19/799452019.db2.gz YEKGTZKZCYGPTA-AHIWAGSCSA-N 1 0 276.424 3.217 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)[C@H]2CCCOC2)c1 ZINC000388485327 799454154 /nfs/dbraw/zinc/45/41/54/799454154.db2.gz PJOCPOWNHIGMRH-RDBSUJKOSA-N 1 0 263.381 3.166 20 10 CGCDRO C[C@H]([NH2+][C@@H](C)[C@H]1CCCOC1)c1ccc(N(C)C)cc1 ZINC000388859457 799456835 /nfs/dbraw/zinc/45/68/35/799456835.db2.gz JWGURTPUYZZSBX-DZKIICNBSA-N 1 0 276.424 3.218 20 10 CGCDRO CO[C@](C)(C[NH2+][C@H](C)c1cc(C)ccc1O)C1CC1 ZINC000388897200 799457934 /nfs/dbraw/zinc/45/79/34/799457934.db2.gz UFLDANJEUXYEOP-MLGOLLRUSA-N 1 0 263.381 3.166 20 10 CGCDRO CC[C@H]([NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2C)C(C)(C)O ZINC000394013166 799493596 /nfs/dbraw/zinc/49/35/96/799493596.db2.gz NPWUEKNDKPLGRZ-OBJOEFQTSA-N 1 0 277.408 3.388 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2CC[C@H](C)O2)cc1 ZINC000398109649 799526855 /nfs/dbraw/zinc/52/68/55/799526855.db2.gz MILIFNCHGJNPCO-YOEHRIQHSA-N 1 0 276.424 3.190 20 10 CGCDRO CC[C@@H]1C[NH+](Cc2cc(C)ccc2O)C[C@@H](CC)O1 ZINC000398779719 799532878 /nfs/dbraw/zinc/53/28/78/799532878.db2.gz LPRCRFDUKZVVCE-HUUCEWRRSA-N 1 0 263.381 3.090 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCC[C@@H]2CCOC2)c1 ZINC000402012863 799559092 /nfs/dbraw/zinc/55/90/92/799559092.db2.gz BSRGVJARRQOVAY-UONOGXRCSA-N 1 0 263.381 3.168 20 10 CGCDRO COc1ccc(C[NH2+]C[C@@H]2CCC[C@H](C)O2)cc1C ZINC000688878142 799755945 /nfs/dbraw/zinc/75/59/45/799755945.db2.gz KZXKYSXCKSAZAN-ZFWWWQNUSA-N 1 0 263.381 3.051 20 10 CGCDRO Cc1ccc(CC[NH2+][C@@H](C)c2cc(C)ccc2O)nc1 ZINC000689496387 799766112 /nfs/dbraw/zinc/76/61/12/799766112.db2.gz XTEWPUXGUGQHMN-AWEZNQCLSA-N 1 0 270.376 3.297 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H]1CCN1C(C)(C)C)c1ccccc1O ZINC000690377599 799776275 /nfs/dbraw/zinc/77/62/75/799776275.db2.gz UZXVZJKFJNFPDB-DZGCQCFKSA-N 1 0 276.424 3.306 20 10 CGCDRO Oc1cc(Br)ccc1C[NH2+]CCCC1CC1 ZINC000691424299 799783380 /nfs/dbraw/zinc/78/33/80/799783380.db2.gz ASADECGIRMFVFG-UHFFFAOYSA-N 1 0 284.197 3.435 20 10 CGCDRO CCc1cccc(C[NH2+]CCCCSC)c1O ZINC000691528011 799785655 /nfs/dbraw/zinc/78/56/55/799785655.db2.gz VXYRPELKNFXBAZ-UHFFFAOYSA-N 1 0 253.411 3.187 20 10 CGCDRO CCc1cccc(C[NH2+]CC(C)(C)SC)c1O ZINC000691528458 799785710 /nfs/dbraw/zinc/78/57/10/799785710.db2.gz XNZBHDYHPQLOHG-UHFFFAOYSA-N 1 0 253.411 3.186 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@]2(C)CCCS2)c1O ZINC000691497789 799785761 /nfs/dbraw/zinc/78/57/61/799785761.db2.gz CHZTYEIWHMLELI-HNNXBMFYSA-N 1 0 265.422 3.330 20 10 CGCDRO C[C@H]([NH2+]CCc1ccoc1)c1ccc(N(C)C)cc1 ZINC000692724867 799797795 /nfs/dbraw/zinc/79/77/95/799797795.db2.gz QSLXUPJYUQLKRT-ZDUSSCGKSA-N 1 0 258.365 3.239 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C2CC2)c(O)c1 ZINC000695894236 799836358 /nfs/dbraw/zinc/83/63/58/799836358.db2.gz XSSVVGXBKMCESI-HZPDHXFCSA-N 1 0 275.392 3.459 20 10 CGCDRO CC(C)(C[NH2+]Cc1cc(F)ccc1O)C(C)(F)F ZINC000696572990 799840812 /nfs/dbraw/zinc/84/08/12/799840812.db2.gz HRJWFKRIURWZFF-UHFFFAOYSA-N 1 0 261.287 3.302 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]Cc1ccc(Cl)o1)CC2 ZINC000698069600 799852292 /nfs/dbraw/zinc/85/22/92/799852292.db2.gz WOVRBRIEHQQKCM-LLVKDONJSA-N 1 0 263.724 3.416 20 10 CGCDRO CCOc1cccc(C[NH2+]C(C)(C)C(C)C)c1O ZINC000698031951 799852834 /nfs/dbraw/zinc/85/28/34/799852834.db2.gz DJIAFAKJBDEASC-UHFFFAOYSA-N 1 0 251.370 3.315 20 10 CGCDRO CCOc1cccc(C[NH2+]Cc2ccc(Cl)o2)c1O ZINC000698119066 799853100 /nfs/dbraw/zinc/85/31/00/799853100.db2.gz ATFBPVZYGJACCO-UHFFFAOYSA-N 1 0 281.739 3.327 20 10 CGCDRO C[C@@H]1CCC[N@@H+]1Cc1ccc(Br)cc1O ZINC000700863466 799881427 /nfs/dbraw/zinc/88/14/27/799881427.db2.gz SALHYHPZGQDYLA-SECBINFHSA-N 1 0 270.170 3.139 20 10 CGCDRO C[C@H]([NH2+]CC[C@H]1CC1(F)F)c1cc(F)ccc1O ZINC000701935023 799899045 /nfs/dbraw/zinc/89/90/45/799899045.db2.gz LTGRFZTWEKYOKX-IUCAKERBSA-N 1 0 259.271 3.227 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cncc(Cl)c2)c1 ZINC000702973606 799916145 /nfs/dbraw/zinc/91/61/45/799916145.db2.gz WSURQPUJTWWGJC-JTQLQIEISA-N 1 0 292.766 3.300 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cncc(Cl)c2)c1 ZINC000702973607 799916603 /nfs/dbraw/zinc/91/66/03/799916603.db2.gz WSURQPUJTWWGJC-SNVBAGLBSA-N 1 0 292.766 3.300 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@H](OC)C2CCCC2)c1O ZINC000703030907 799918092 /nfs/dbraw/zinc/91/80/92/799918092.db2.gz LVJOULFRIFUHSD-INIZCTEOSA-N 1 0 277.408 3.249 20 10 CGCDRO CCOC1CCC([NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000703803569 799929540 /nfs/dbraw/zinc/92/95/40/799929540.db2.gz GTXLHQZZDSKVAT-UHFFFAOYSA-N 1 0 275.392 3.059 20 10 CGCDRO CC[C@H]([NH2+]Cc1cccnc1C)c1ccccc1O ZINC000705570127 799951051 /nfs/dbraw/zinc/95/10/51/799951051.db2.gz NRHNILJBLHTORH-HNNXBMFYSA-N 1 0 256.349 3.337 20 10 CGCDRO CCOc1cccc(C[NH2+]C[C@H]2CCCC23CC3)c1O ZINC000706263098 799960124 /nfs/dbraw/zinc/96/01/24/799960124.db2.gz JHZLRKBXJQHTEI-CQSZACIVSA-N 1 0 275.392 3.461 20 10 CGCDRO C[C@H]1CC[C@@H]([NH2+]Cc2c(O)cccc2Br)C1 ZINC000706853876 799967597 /nfs/dbraw/zinc/96/75/97/799967597.db2.gz GWTSTXHZQSWLHJ-VHSXEESVSA-N 1 0 284.197 3.433 20 10 CGCDRO C[C@H](C[NH2+]Cc1c(O)cccc1Br)C1CC1 ZINC000706854170 799967909 /nfs/dbraw/zinc/96/79/09/799967909.db2.gz RWNIZIPYHHAVMU-SECBINFHSA-N 1 0 284.197 3.290 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCC23CC3)c1 ZINC000706918856 799970314 /nfs/dbraw/zinc/97/03/14/799970314.db2.gz ZULIXIBCDPLVGW-IAQYHMDHSA-N 1 0 261.365 3.384 20 10 CGCDRO CCC[C@@H](C[NH2+]Cc1ccc(OC)c(C)c1)OCC ZINC000707852249 799980639 /nfs/dbraw/zinc/98/06/39/799980639.db2.gz FPESCWJRVNFSDC-HNNXBMFYSA-N 1 0 265.397 3.298 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCO[C@@H](C(C)(C)C)C2)c1O ZINC000709022354 800000821 /nfs/dbraw/zinc/00/08/21/800000821.db2.gz VXQNVNHKKSLFBC-OAHLLOKOSA-N 1 0 277.408 3.202 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H]2CCCSCC2)c1 ZINC000709543357 800009262 /nfs/dbraw/zinc/00/92/62/800009262.db2.gz OKVQVBHEAMZKGC-ZDUSSCGKSA-N 1 0 251.395 3.076 20 10 CGCDRO C[C@H]([NH2+]CCc1ccns1)c1ccc(N(C)C)cc1 ZINC000709824751 800020315 /nfs/dbraw/zinc/02/03/15/800020315.db2.gz IOFYNGUJCFKARU-LBPRGKRZSA-N 1 0 275.421 3.102 20 10 CGCDRO CC[C@@H]([NH2+]CCc1ccns1)c1ccccc1O ZINC000710009876 800028041 /nfs/dbraw/zinc/02/80/41/800028041.db2.gz MNAONJJVFZXRAG-CYBMUJFWSA-N 1 0 262.378 3.132 20 10 CGCDRO Oc1ccc2ccccc2c1C[N@@H+]1CC[C@H](CF)C1 ZINC000711503446 800064294 /nfs/dbraw/zinc/06/42/94/800064294.db2.gz SHTJHTCZNMKZJW-GFCCVEGCSA-N 1 0 259.324 3.337 20 10 CGCDRO CCc1cccc(C[NH2+][C@H]2C[C@H](OC)C23CCC3)c1O ZINC000713464334 800109327 /nfs/dbraw/zinc/10/93/27/800109327.db2.gz MAOCAHFBPQBIAP-GJZGRUSLSA-N 1 0 275.392 3.002 20 10 CGCDRO CO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(C)cc2O)C12CCC2 ZINC000713481866 800111046 /nfs/dbraw/zinc/11/10/46/800111046.db2.gz ZAPGRRHDIUHNDQ-VBNZEHGJSA-N 1 0 275.392 3.309 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]CC[C@@H]1CCCS1 ZINC000715666545 800142120 /nfs/dbraw/zinc/14/21/20/800142120.db2.gz KGOFVRPUCGKPSO-LBPRGKRZSA-N 1 0 271.813 3.421 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1ccns1 ZINC000715951531 800156190 /nfs/dbraw/zinc/15/61/90/800156190.db2.gz DVXQAAIGUVEMMY-MWLCHTKSSA-N 1 0 260.362 3.187 20 10 CGCDRO C[C@H]([NH2+]CCOC(F)(F)C(F)(F)F)c1ccccc1O ZINC000720221975 800253346 /nfs/dbraw/zinc/25/33/46/800253346.db2.gz BMWJYDQXAOEVJS-QMMMGPOBSA-N 1 0 299.239 3.215 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)C(C)(C)OC)c1ccccc1O ZINC000720207321 800254015 /nfs/dbraw/zinc/25/40/15/800254015.db2.gz NROGKCGTGJZMSJ-YPMHNXCESA-N 1 0 251.370 3.246 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)[C@@H]1CCCOC1 ZINC000723957318 800345313 /nfs/dbraw/zinc/34/53/13/800345313.db2.gz UVOIJFPBVZMNPJ-QLFBSQMISA-N 1 0 275.392 3.174 20 10 CGCDRO Oc1ccc2ccccc2c1C[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000840169451 800496540 /nfs/dbraw/zinc/49/65/40/800496540.db2.gz DIFBQIVTOFLRTL-STQMWFEESA-N 1 0 271.385 3.235 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccnn1CC1CC1)c1ccc(N(C)C)cc1 ZINC000850251939 800516980 /nfs/dbraw/zinc/51/69/80/800516980.db2.gz JCQLYRRIHQJMKA-CQSZACIVSA-N 1 0 298.434 3.210 20 10 CGCDRO COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)c2cc(Cl)ccc2O)C1 ZINC000903129402 800593882 /nfs/dbraw/zinc/59/38/82/800593882.db2.gz VVWDDVJXWXRVOW-UMNHJUIQSA-N 1 0 297.782 3.038 20 10 CGCDRO COc1cc(C)c(N(CCC[NH3+])C(C)C)cc1Cl ZINC001164126632 806897760 /nfs/dbraw/zinc/89/77/60/806897760.db2.gz BHNOLLCMESLUBE-UHFFFAOYSA-N 1 0 270.804 3.221 20 10 CGCDRO C[N@H+](Cc1ccccc1O)C1CC[NH+](C(C)(C)C)CC1 ZINC001256575533 806921046 /nfs/dbraw/zinc/92/10/46/806921046.db2.gz PRXPQTRLEGIXIG-UHFFFAOYSA-N 1 0 276.424 3.087 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+][C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001118587901 802587525 /nfs/dbraw/zinc/58/75/25/802587525.db2.gz LEPHNFKAQATURO-GRYCIOLGSA-N 1 0 271.282 3.055 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2c(C)cccc2O)c(Cl)n1 ZINC001119516061 802674964 /nfs/dbraw/zinc/67/49/64/802674964.db2.gz NREZBCROFGKSHA-UHFFFAOYSA-N 1 0 276.767 3.347 20 10 CGCDRO Cc1nnsc1[C@H](C)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC001119743554 802696798 /nfs/dbraw/zinc/69/67/98/802696798.db2.gz LSLMCFJOVNBWTI-MNOVXSKESA-N 1 0 290.436 3.324 20 10 CGCDRO Cc1cc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c(C)nn1 ZINC001119822311 802702096 /nfs/dbraw/zinc/70/20/96/802702096.db2.gz GNBQVRIBKAWGKI-ZDUSSCGKSA-N 1 0 284.407 3.010 20 10 CGCDRO Cc1c(C[NH+]2CC3(C2)CCCOC3)c2ccccc2n1C ZINC001138253957 803881825 /nfs/dbraw/zinc/88/18/25/803881825.db2.gz MBLUHROJEANPIT-UHFFFAOYSA-N 1 0 284.403 3.099 20 10 CGCDRO CN1CCCc2cc(CN3CC[C@](C)(F)[C@@H](F)C3)ccc21 ZINC001138354612 803899893 /nfs/dbraw/zinc/89/98/93/803899893.db2.gz PESJRLXTMKDVSC-IRXDYDNUSA-N 1 0 294.389 3.341 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCCN3C)C[C@H]1F ZINC001138355007 803900255 /nfs/dbraw/zinc/90/02/55/803900255.db2.gz YHOWHGQKDVXGFH-CZUORRHYSA-N 1 0 276.399 3.249 20 10 CGCDRO Cc1n[nH]c(C)c1C[N@@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001139099352 804127664 /nfs/dbraw/zinc/12/76/64/804127664.db2.gz WIPPDNVDPUBBRO-UHFFFAOYSA-N 1 0 298.434 3.259 20 10 CGCDRO CC[N@H+](Cc1cccc(Cl)n1)Cc1ccccc1O ZINC001139552323 804205055 /nfs/dbraw/zinc/20/50/55/804205055.db2.gz VFPBRVLRGNVDJO-UHFFFAOYSA-N 1 0 276.767 3.463 20 10 CGCDRO CCCC[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)CC[NH2+]1 ZINC001246309382 804272290 /nfs/dbraw/zinc/27/22/90/804272290.db2.gz KJWYHQXHLUGYPV-SJORKVTESA-N 1 0 289.467 3.153 20 10 CGCDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@H](C(F)F)C1 ZINC001140055100 804362114 /nfs/dbraw/zinc/36/21/14/804362114.db2.gz IPJXOHVTXLFOOR-VIFPVBQESA-N 1 0 259.271 3.008 20 10 CGCDRO Cc1ccc(C)c(C[NH+]2CC3(C2)C[C@H](F)CS3)c1O ZINC001140183394 804395863 /nfs/dbraw/zinc/39/58/63/804395863.db2.gz DUBFPTBXCREJOO-LBPRGKRZSA-N 1 0 281.396 3.038 20 10 CGCDRO Cc1ccc(C)c(C[N@H+](C)Cc2cccc3c2OCO3)c1O ZINC001140185565 804398103 /nfs/dbraw/zinc/39/81/03/804398103.db2.gz ZECATOJVEWCTBX-UHFFFAOYSA-N 1 0 299.370 3.370 20 10 CGCDRO Oc1cc(Cl)ccc1C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC001140466469 804442728 /nfs/dbraw/zinc/44/27/28/804442728.db2.gz GSLDUQDFZUMSFS-GFCCVEGCSA-N 1 0 273.710 3.277 20 10 CGCDRO C[N@H+](C1CC1)C1CCN(Cc2ccc(Cl)cc2O)CC1 ZINC001140466134 804443989 /nfs/dbraw/zinc/44/39/89/804443989.db2.gz YEAWPMSIIWCONR-UHFFFAOYSA-N 1 0 294.826 3.104 20 10 CGCDRO CC(C)O[C@H]1CC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140466161 804444386 /nfs/dbraw/zinc/44/43/86/804444386.db2.gz ZJSXBDNFLNXERG-ZDUSSCGKSA-N 1 0 269.772 3.045 20 10 CGCDRO CCC[N@H+](Cc1cc(C)ccc1O)C1CCOCC1 ZINC001140623817 804478026 /nfs/dbraw/zinc/47/80/26/804478026.db2.gz STXGJCLKADATKB-UHFFFAOYSA-N 1 0 263.381 3.092 20 10 CGCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@H](Oc3ccccc3)C2)c1O ZINC001140745963 804503660 /nfs/dbraw/zinc/50/36/60/804503660.db2.gz QVAPELWZOFBWOA-INIZCTEOSA-N 1 0 299.370 3.060 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](CC)C(C)C)c(O)c1 ZINC001140851512 804532985 /nfs/dbraw/zinc/53/29/85/804532985.db2.gz KGMZBIMNRGBIAK-UHFFFAOYSA-N 1 0 264.413 3.469 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](CF)C2)c(O)c1 ZINC001140855325 804533391 /nfs/dbraw/zinc/53/33/91/804533391.db2.gz VGGJLUXBUZMDRT-CQSZACIVSA-N 1 0 294.414 3.420 20 10 CGCDRO CCN(CC)c1ccc(C[NH+]2C[C@@H]3CCC[C@H]3C2)c(O)c1 ZINC001140850696 804533634 /nfs/dbraw/zinc/53/36/34/804533634.db2.gz REDBWUNHABDPPT-GJZGRUSLSA-N 1 0 288.435 3.470 20 10 CGCDRO CN(C)c1ccc(CN(C)Cc2ccccn2)c(Cl)c1 ZINC001140921559 804548756 /nfs/dbraw/zinc/54/87/56/804548756.db2.gz IAXJCPMHIZQEDK-UHFFFAOYSA-N 1 0 289.810 3.433 20 10 CGCDRO CN(C)c1ccc(CN2C[C@@H]3C[C@@H]3[C@H](F)C2)c(Cl)c1 ZINC001140922401 804549453 /nfs/dbraw/zinc/54/94/53/804549453.db2.gz PWKKKOZDMDXUJH-CORIIIEPSA-N 1 0 282.790 3.196 20 10 CGCDRO COc1cc(O)c(C[N@H+](C)Cc2cccs2)c(OC)c1 ZINC001141028193 804575916 /nfs/dbraw/zinc/57/59/16/804575916.db2.gz FKAZJSFIAPVKKS-UHFFFAOYSA-N 1 0 293.388 3.103 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141074883 804584669 /nfs/dbraw/zinc/58/46/69/804584669.db2.gz WBTRHDDXHJBXME-CQSZACIVSA-N 1 0 270.420 3.227 20 10 CGCDRO CSCC[N@H+](C)Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141078473 804585339 /nfs/dbraw/zinc/58/53/39/804585339.db2.gz XFDCIKHFFLRURD-UHFFFAOYSA-N 1 0 290.476 3.180 20 10 CGCDRO CN1CCOc2cc(C[N@@H+]3CC[C@@H]4CCC[C@H]4C3)ccc21 ZINC001141142089 804597136 /nfs/dbraw/zinc/59/71/36/804597136.db2.gz FEPXHYBJMYVELK-HOTGVXAUSA-N 1 0 286.419 3.137 20 10 CGCDRO C[N@H+](Cc1cc(O)ccc1O)Cc1cccc2cccnc21 ZINC001141159329 804600363 /nfs/dbraw/zinc/60/03/63/804600363.db2.gz FCINPRQXHIIHPG-UHFFFAOYSA-N 1 0 294.354 3.278 20 10 CGCDRO COc1ccc([C@H]2CCC[N@@H+]2Cc2cc(O)ccc2O)cc1 ZINC001141158537 804600459 /nfs/dbraw/zinc/60/04/59/804600459.db2.gz CXWPJUIIAKNOPG-QGZVFWFLSA-N 1 0 299.370 3.444 20 10 CGCDRO CC(C)[NH+]1CCN(Cc2cccc(C(C)(C)C)c2O)CC1 ZINC001143103584 804801071 /nfs/dbraw/zinc/80/10/71/804801071.db2.gz FYERCVZYPNQFGP-UHFFFAOYSA-N 1 0 290.451 3.216 20 10 CGCDRO CCOC(=O)CC[N@H+](C)Cc1cccc(C(C)(C)C)c1O ZINC001143111193 804803029 /nfs/dbraw/zinc/80/30/29/804803029.db2.gz ZFLJEMQHDNFWDV-UHFFFAOYSA-N 1 0 293.407 3.075 20 10 CGCDRO C[N@H+](Cc1cccc(C(C)(C)C)c1O)[C@H]1CCCOC1 ZINC001143117219 804806049 /nfs/dbraw/zinc/80/60/49/804806049.db2.gz XWNPLODNOPDYTI-AWEZNQCLSA-N 1 0 277.408 3.301 20 10 CGCDRO CC(C)(C)c1cc(O)c(C[N@@H+]2CC[C@@](C)(O)C2)cc1Cl ZINC001248880750 805031531 /nfs/dbraw/zinc/03/15/31/805031531.db2.gz MFRACJPZTAUNAS-MRXNPFEDSA-N 1 0 297.826 3.300 20 10 CGCDRO C[N@@H+](Cc1ccc2c(c1O)C=CC(C)(C)O2)CC1CC1 ZINC001249224202 805115140 /nfs/dbraw/zinc/11/51/40/805115140.db2.gz UOERPFOAHAGMDE-UHFFFAOYSA-N 1 0 273.376 3.418 20 10 CGCDRO CCC[C@@H](C)[NH+]1CCN(c2ccc(OC)cc2OC)CC1 ZINC001257328198 807110626 /nfs/dbraw/zinc/11/06/26/807110626.db2.gz QWMLQTQNMMWWLY-CQSZACIVSA-N 1 0 292.423 3.014 20 10 CGCDRO CC(C)C[C@H](C)C[C@@H](C)[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC001258065593 807285250 /nfs/dbraw/zinc/28/52/50/807285250.db2.gz MDKHCGIJVVTBEZ-QWHCGFSZSA-N 1 0 293.407 3.331 20 10 CGCDRO C[C@H]1C[C@H]([NH2+]CCc2cc(O)c(O)cc2O)CC(C)(C)C1 ZINC001258687565 807543988 /nfs/dbraw/zinc/54/39/88/807543988.db2.gz RBZGOTHCHNSWHR-AAEUAGOBSA-N 1 0 293.407 3.150 20 10 CGCDRO C[C@H]1C[C@H]([NH2+]CCc2ccc(O)c(O)c2)CC(C)(C)C1 ZINC001258687803 807544482 /nfs/dbraw/zinc/54/44/82/807544482.db2.gz UZQWFGAQMAMIJY-JSGCOSHPSA-N 1 0 277.408 3.445 20 10 CGCDRO CC[C@H](C[C@@H](C)CC)[NH2+]CCc1ccc(O)c(O)c1 ZINC001258780538 807607609 /nfs/dbraw/zinc/60/76/09/807607609.db2.gz OUCUALHCDQXTDB-GXTWGEPZSA-N 1 0 265.397 3.445 20 10 CGCDRO CC[C@H](Cc1ccccc1)[NH2+]CCc1ccc(O)c(O)c1 ZINC001258839366 807652491 /nfs/dbraw/zinc/65/24/91/807652491.db2.gz XKVIZDADWBJEJS-MRXNPFEDSA-N 1 0 285.387 3.251 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC001261201546 807715020 /nfs/dbraw/zinc/71/50/20/807715020.db2.gz GLFQIKOLHMHYAD-LALPHHSUSA-N 1 0 297.402 3.119 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC[C@@H](F)C2)c1 ZINC001261481928 807748537 /nfs/dbraw/zinc/74/85/37/807748537.db2.gz VFYSQUQZLDABCP-QJPTWQEYSA-N 1 0 267.344 3.332 20 10 CGCDRO CC[C@H](CC(C)C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC001172385329 808278526 /nfs/dbraw/zinc/27/85/26/808278526.db2.gz LFPUECJZLHOOQC-QGZVFWFLSA-N 1 0 290.451 3.438 20 10 CGCDRO COC(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2ccccc2O)CC1 ZINC001172793041 808441333 /nfs/dbraw/zinc/44/13/33/808441333.db2.gz SFKZJXKCIZSPBP-BFHYXJOUSA-N 1 0 291.391 3.165 20 10 CGCDRO COc1cccc2c1C[C@H]([NH2+][C@H](C)c1ccccc1O)CO2 ZINC001173150850 808526915 /nfs/dbraw/zinc/52/69/15/808526915.db2.gz HVZHMAVIHPQASV-OLZOCXBDSA-N 1 0 299.370 3.055 20 10 CGCDRO CCSC[C@H](C)[NH2+]Cc1c(C)cc(C)cc1O ZINC001173298567 808598467 /nfs/dbraw/zinc/59/84/67/808598467.db2.gz NFXZSANFSQHGCT-LBPRGKRZSA-N 1 0 253.411 3.240 20 10 CGCDRO CC(C)C[C@@H](CN1CCCC1)[NH2+]Cc1cc(F)ccc1O ZINC001181933761 810085092 /nfs/dbraw/zinc/08/50/92/810085092.db2.gz PFXDBALCSMQNEC-INIZCTEOSA-N 1 0 294.414 3.131 20 10 CGCDRO Cc1ccc(C[N@@H+]2CC3(CCC3)[C@H]2C2CC2)c(O)c1 ZINC001182183976 810097827 /nfs/dbraw/zinc/09/78/27/810097827.db2.gz LFVDDVULOPCLBD-MRXNPFEDSA-N 1 0 257.377 3.465 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CCC[C@H](OC(C)C)C2)c(O)c1 ZINC001182726322 810121301 /nfs/dbraw/zinc/12/13/01/810121301.db2.gz RGVYKJNMKMUYCL-AWEZNQCLSA-N 1 0 293.407 3.099 20 10 CGCDRO C[C@H](c1ccccc1)[N@H+](CCO)Cc1ccc(N(C)C)cc1 ZINC001192359365 810791015 /nfs/dbraw/zinc/79/10/15/810791015.db2.gz ZSMWVFXYFCUGOY-MRXNPFEDSA-N 1 0 298.430 3.308 20 10 CGCDRO CCCOc1ccc(C[NH2+]C[C@H]2CCCO2)cc1C ZINC001198943002 811553044 /nfs/dbraw/zinc/55/30/44/811553044.db2.gz NJHORULXJAYOGG-OAHLLOKOSA-N 1 0 263.381 3.052 20 10 CGCDRO CC[C@@H](C)[C@H](C[NH2+]Cc1ccc2c(c1)CCCO2)OC ZINC001202496119 812108880 /nfs/dbraw/zinc/10/88/80/812108880.db2.gz VNLUYQDYGXFWOF-DYVFJYSZSA-N 1 0 277.408 3.162 20 10 CGCDRO Cc1ncc(C[N@H+](C)Cc2ccc(N3CCCC3)cc2)cn1 ZINC001203112033 812243091 /nfs/dbraw/zinc/24/30/91/812243091.db2.gz VRXDVRJTFYJNMD-UHFFFAOYSA-N 1 0 296.418 3.017 20 10 CGCDRO C[C@H]1CCC[C@H](C[NH2+]Cc2ccc3c(c2)CCCO3)O1 ZINC001203162327 812258347 /nfs/dbraw/zinc/25/83/47/812258347.db2.gz ZFAWQMYEXZAHKQ-XJKSGUPXSA-N 1 0 275.392 3.059 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CCc3cc(O)ccc3C2)c1O ZINC001203603046 812404975 /nfs/dbraw/zinc/40/49/75/812404975.db2.gz HJBRVLBMCYDAHU-UHFFFAOYSA-N 1 0 299.370 3.055 20 10 CGCDRO COc1cccc(C[N@@H+]2CCC[C@@H]2c2ccc(C)nc2)c1O ZINC001203599880 812405270 /nfs/dbraw/zinc/40/52/70/812405270.db2.gz MKYWTWFWCWLYLD-MRXNPFEDSA-N 1 0 298.386 3.441 20 10 CGCDRO CCC(CC)[N@H+](CC)Cc1ccc(OC)cc1O ZINC001203628985 812410493 /nfs/dbraw/zinc/41/04/93/812410493.db2.gz MKWPHTHRFSCPAG-UHFFFAOYSA-N 1 0 251.370 3.411 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@@H]2CCCO[C@H]2C1 ZINC001203651759 812414837 /nfs/dbraw/zinc/41/48/37/812414837.db2.gz UATVJYVAXSAOOP-NHYWBVRUSA-N 1 0 281.783 3.047 20 10 CGCDRO CC1(F)CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC001203651679 812415363 /nfs/dbraw/zinc/41/53/63/812415363.db2.gz SLFUNTTZOCSJDA-UHFFFAOYSA-N 1 0 257.736 3.370 20 10 CGCDRO Oc1ccc(C[NH+]2CCC3(CC[C@@H](F)C3)CC2)cc1O ZINC001203880441 812478159 /nfs/dbraw/zinc/47/81/59/812478159.db2.gz RWIHXWUQBBXSLP-CYBMUJFWSA-N 1 0 279.355 3.202 20 10 CGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@]2(C)CCCCO2)cc1F ZINC001203889747 812481321 /nfs/dbraw/zinc/48/13/21/812481321.db2.gz NSIVXWOZLGDONN-INIZCTEOSA-N 1 0 298.377 3.080 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@@H](F)C2)cc1 ZINC001203929470 812494670 /nfs/dbraw/zinc/49/46/70/812494670.db2.gz DIDSNTAPBBDTFD-CQSZACIVSA-N 1 0 250.361 3.077 20 10 CGCDRO CCCOC1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC001203934566 812495996 /nfs/dbraw/zinc/49/59/96/812495996.db2.gz WWMLWXFYUUHGJS-UHFFFAOYSA-N 1 0 276.424 3.144 20 10 CGCDRO CCN(CC)c1ccc(C[NH+]2CCC3(COC3)CC2)cc1 ZINC001203936167 812496562 /nfs/dbraw/zinc/49/65/62/812496562.db2.gz JXCMJCXHIKGFCU-UHFFFAOYSA-N 1 0 288.435 3.145 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)CC2CC(F)(F)C2)cc1 ZINC001203937878 812497711 /nfs/dbraw/zinc/49/77/11/812497711.db2.gz WUAILJYCLJAVGB-UHFFFAOYSA-N 1 0 268.351 3.230 20 10 CGCDRO Oc1cccc2c1C[N@H+](Cc1c[nH]c3ccccc13)CC2 ZINC001204049029 812534160 /nfs/dbraw/zinc/53/41/60/812534160.db2.gz SECJAWAJKLUMFL-UHFFFAOYSA-N 1 0 278.355 3.432 20 10 CGCDRO CC[N@H+](Cc1ccc(C(=O)OC)cc1)Cc1ccccc1O ZINC001204147994 812557143 /nfs/dbraw/zinc/55/71/43/812557143.db2.gz GJPLSNRTYXBIRM-UHFFFAOYSA-N 1 0 299.370 3.201 20 10 CGCDRO COC1(C)C[NH+](Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001204233294 812580446 /nfs/dbraw/zinc/58/04/46/812580446.db2.gz PRRWILWBQPLJET-UHFFFAOYSA-N 1 0 284.403 3.127 20 10 CGCDRO C[N@H+](CCc1cccnc1)Cc1ccc(N2CCCC2)cc1 ZINC001204320863 812611095 /nfs/dbraw/zinc/61/10/95/812611095.db2.gz BFZNPUKOVBISEL-UHFFFAOYSA-N 1 0 295.430 3.356 20 10 CGCDRO CC(C)(C)c1ccc(CN2CCC[C@@](C)([NH3+])C2)c(O)c1 ZINC001204947365 812792902 /nfs/dbraw/zinc/79/29/02/812792902.db2.gz XTVNMFMPNLVESC-QGZVFWFLSA-N 1 0 276.424 3.003 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(CN2[C@@H](C)CC[C@H]2C[NH3+])cc1 ZINC001205064566 812843338 /nfs/dbraw/zinc/84/33/38/812843338.db2.gz QYRZRPLNKICOHX-LIRRHRJNSA-N 1 0 297.446 3.406 20 10 CGCDRO CCN(CC)c1ccc(CN2C[C@@H](C)CC[C@@H]2C[NH3+])cc1 ZINC001205805844 813085910 /nfs/dbraw/zinc/08/59/10/813085910.db2.gz SEDSTXGNDWANIM-MAUKXSAKSA-N 1 0 289.467 3.092 20 10 CGCDRO Cc1cc(CN2CCCC[C@@H]([NH3+])C2)c(C)n1-c1ccccc1 ZINC001205933129 813140444 /nfs/dbraw/zinc/14/04/44/813140444.db2.gz YRLOWSOGZGTJKE-GOSISDBHSA-N 1 0 297.446 3.407 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CC(C)(C)[C@H]2C2CC2)c(O)c1 ZINC001206116811 813205253 /nfs/dbraw/zinc/20/52/53/813205253.db2.gz TUKJMMXHXWHYOP-MRXNPFEDSA-N 1 0 275.392 3.330 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)c(O)c1 ZINC001206441005 813322827 /nfs/dbraw/zinc/32/28/27/813322827.db2.gz UZFUYNNXLVHEGV-BBRMVZONSA-N 1 0 275.392 3.474 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(CN2CC[C@H]([NH+](C)C)C2)cc1 ZINC001209518420 814072455 /nfs/dbraw/zinc/07/24/55/814072455.db2.gz LHFUDBNXSTVECZ-IBGZPJMESA-N 1 0 297.446 3.230 20 10 CGCDRO Cc1cc(N)[nH+]cc1Nc1nc(-c2ccncc2)cs1 ZINC001209961412 814214863 /nfs/dbraw/zinc/21/48/63/814214863.db2.gz HXEGDEGGBBVKMK-UHFFFAOYSA-N 1 0 283.360 3.234 20 10 CGCDRO COc1c[nH+]ccc1Nc1cc(Cl)cc(Cl)c1O ZINC001211263701 814866014 /nfs/dbraw/zinc/86/60/14/814866014.db2.gz ZTHGHBJHBZTOEN-UHFFFAOYSA-N 1 0 285.130 3.268 20 10 CGCDRO Nc1ccc(Nc2c[nH+]cn2Cc2ccccc2)cc1 ZINC001216553966 815857784 /nfs/dbraw/zinc/85/77/84/815857784.db2.gz YLKJOBTUVBFOLW-UHFFFAOYSA-N 1 0 264.332 3.257 20 10 CGCDRO Oc1cccc(Nc2c[nH+]cn2Cc2ccccc2)c1O ZINC001216553485 815857795 /nfs/dbraw/zinc/85/77/95/815857795.db2.gz CHLARXOVXLYQTC-UHFFFAOYSA-N 1 0 281.315 3.086 20 10 CGCDRO C[C@@H](Oc1ccc(N2CC[NH2+]CC2)cc1)c1cccs1 ZINC001218022824 816058977 /nfs/dbraw/zinc/05/89/77/816058977.db2.gz ZJCSERHSUGTLJG-CYBMUJFWSA-N 1 0 288.416 3.298 20 10 CGCDRO CO[C@@H](C)C1C[NH+](Cc2c(O)ccc3ccccc32)C1 ZINC001231589633 818130404 /nfs/dbraw/zinc/13/04/04/818130404.db2.gz NQUDLADZTMYEGS-LBPRGKRZSA-N 1 0 271.360 3.012 20 10 CGCDRO Cc1ccnn1C1CC[NH+](Cc2cccc(C)c2O)CC1 ZINC001231594431 818131917 /nfs/dbraw/zinc/13/19/17/818131917.db2.gz HMZXOSZXDFGOOV-UHFFFAOYSA-N 1 0 285.391 3.043 20 10 CGCDRO Cc1cccc(C[N@@H+]2CC[C@@H]2COCc2ccccc2)c1O ZINC001231593158 818132349 /nfs/dbraw/zinc/13/23/49/818132349.db2.gz PYGGHBGPMREFRW-GOSISDBHSA-N 1 0 297.398 3.492 20 10 CGCDRO Cc1cccc(C[N@@H+](C(C)C)C2CCN(C)CC2)c1O ZINC001231595167 818132992 /nfs/dbraw/zinc/13/29/92/818132992.db2.gz PKSWTIHPWBQOQP-UHFFFAOYSA-N 1 0 276.424 3.005 20 10 CGCDRO Cc1cccc(C[N@@H+](CCCCCO)C(C)C)c1O ZINC001231594649 818133279 /nfs/dbraw/zinc/13/32/79/818133279.db2.gz MNJRTZMYLZAPSK-UHFFFAOYSA-N 1 0 265.397 3.074 20 10 CGCDRO CC[N@H+](Cc1ccccc1)Cc1cc(OC)c(O)cc1O ZINC001231634615 818144574 /nfs/dbraw/zinc/14/45/74/818144574.db2.gz PWJUCLDOCUFJCR-UHFFFAOYSA-N 1 0 287.359 3.129 20 10 CGCDRO COCCC1CC[NH+](Cc2c(C)cc(C)cc2O)CC1 ZINC001231844053 818185726 /nfs/dbraw/zinc/18/57/26/818185726.db2.gz GAKPAQBLNHHLMX-UHFFFAOYSA-N 1 0 277.408 3.258 20 10 CGCDRO Cc1cc(C)c(C[N@@H+]2CCC(=O)[C@@H]3CCCC[C@@H]32)c(O)c1 ZINC001231843016 818185783 /nfs/dbraw/zinc/18/57/83/818185783.db2.gz SCTGKEVDBJRNTE-ZBFHGGJFSA-N 1 0 287.403 3.343 20 10 CGCDRO Cc1cc(C)c(C[NH+]2CCC(n3ccnc3)CC2)c(O)c1 ZINC001231846128 818187057 /nfs/dbraw/zinc/18/70/57/818187057.db2.gz BJLBENNDDGSPOK-UHFFFAOYSA-N 1 0 285.391 3.043 20 10 CGCDRO Cc1cc(C)c(C[NH+]2CCC(CF)CC2)c(O)c1 ZINC001231846458 818187232 /nfs/dbraw/zinc/18/72/32/818187232.db2.gz MJGGJYOTXYYDMK-UHFFFAOYSA-N 1 0 251.345 3.191 20 10 CGCDRO Cc1cc(C)c(C[N@H+](C)Cc2cncs2)c(O)c1 ZINC001231849102 818188419 /nfs/dbraw/zinc/18/84/19/818188419.db2.gz MQMLRQALRGENLM-UHFFFAOYSA-N 1 0 262.378 3.098 20 10 CGCDRO Cc1cc(C)c(C[N@H+](C)Cc2cccnc2C)c(O)c1 ZINC001231849504 818188476 /nfs/dbraw/zinc/18/84/76/818188476.db2.gz QUHBHMURWMNLES-UHFFFAOYSA-N 1 0 270.376 3.344 20 10 CGCDRO COc1cc(N(C)C)ccc1C[NH+]1CC2CCC(CC2)C1 ZINC001231854321 818189328 /nfs/dbraw/zinc/18/93/28/818189328.db2.gz FHWLATGCXJGMRO-UHFFFAOYSA-N 1 0 288.435 3.383 20 10 CGCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCCC[C@@](C)(F)C1 ZINC001231849717 818189402 /nfs/dbraw/zinc/18/94/02/818189402.db2.gz XGVVYVWREOJMNH-QGZVFWFLSA-N 1 0 294.414 3.475 20 10 CGCDRO CC(=O)C1CC[NH+](Cc2cc(Cl)c(C)cc2O)CC1 ZINC001231870562 818194087 /nfs/dbraw/zinc/19/40/87/818194087.db2.gz JDVWTCBDSHBKON-UHFFFAOYSA-N 1 0 281.783 3.155 20 10 CGCDRO CN1CCC([N@H+](C)Cc2ccc3ccccc3c2O)CC1 ZINC001231877999 818197491 /nfs/dbraw/zinc/19/74/91/818197491.db2.gz CRIZGIYPVCWXJL-UHFFFAOYSA-N 1 0 284.403 3.071 20 10 CGCDRO C[C@H]1CC[C@H](CO)C[N@@H+]1Cc1ccc2ccccc2c1O ZINC001231879234 818198738 /nfs/dbraw/zinc/19/87/38/818198738.db2.gz AYEWPZQJWMSPBO-KBPBESRZSA-N 1 0 285.387 3.138 20 10 CGCDRO Cc1cc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)cc(C)n1 ZINC001232003578 818231705 /nfs/dbraw/zinc/23/17/05/818231705.db2.gz RWNANXGALMJRNI-UHFFFAOYSA-N 1 0 298.386 3.058 20 10 CGCDRO C[C@H]1CCCC[N@@H+]1Cc1cc(Cl)c(O)cc1O ZINC001232259357 818296460 /nfs/dbraw/zinc/29/64/60/818296460.db2.gz WNBOJVXENLBVNG-VIFPVBQESA-N 1 0 255.745 3.126 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CCC3(CCC3)C2)cc1Cl ZINC001232269465 818299410 /nfs/dbraw/zinc/29/94/10/818299410.db2.gz BIAJUZWVTWQRNF-UHFFFAOYSA-N 1 0 281.783 3.430 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2C[C@H]3CC[C@@H]2C3)cc1Cl ZINC001232270167 818300296 /nfs/dbraw/zinc/30/02/96/818300296.db2.gz WIAPZVPKZGCXHY-GXSJLCMTSA-N 1 0 267.756 3.039 20 10 CGCDRO CCOc1ncc(C[N@@H+]2CCc3cccc(O)c3C2)cc1C ZINC001232307281 818311371 /nfs/dbraw/zinc/31/13/71/818311371.db2.gz VGFSHTXZTWLEGN-UHFFFAOYSA-N 1 0 298.386 3.053 20 10 CGCDRO COc1cccc(C)c1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001232623835 818403228 /nfs/dbraw/zinc/40/32/28/818403228.db2.gz SQYPKXSPKHWXRP-UHFFFAOYSA-N 1 0 283.371 3.268 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)Cc2cccs2)c(O)c1 ZINC001232839824 818453701 /nfs/dbraw/zinc/45/37/01/818453701.db2.gz WRPRUXDZCGRZHO-UHFFFAOYSA-N 1 0 276.405 3.152 20 10 CGCDRO CC[N@H+](Cc1cc(C)cc(O)c1)Cc1ccccc1O ZINC001232885875 818465365 /nfs/dbraw/zinc/46/53/65/818465365.db2.gz NJMIPKNUTZDWLC-UHFFFAOYSA-N 1 0 271.360 3.428 20 10 CGCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CCC[C@](C)(O)C2)c1 ZINC001233286031 818567485 /nfs/dbraw/zinc/56/74/85/818567485.db2.gz BRUAHYQMWRUCIC-KRWDZBQOSA-N 1 0 277.408 3.037 20 10 CGCDRO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1cc(C(C)(C)C)ccc1O ZINC001233284466 818567718 /nfs/dbraw/zinc/56/77/18/818567718.db2.gz VPOPHONPEQBTFP-IUODEOHRSA-N 1 0 277.408 3.035 20 10 CGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H]3C[C@H]32)c1O ZINC001233290395 818570769 /nfs/dbraw/zinc/57/07/69/818570769.db2.gz AGNOWKUBPHLJHE-JOYOIKCWSA-N 1 0 267.756 3.039 20 10 CGCDRO Oc1cc(C(F)(F)F)ccc1C[N@@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001233454125 818622777 /nfs/dbraw/zinc/62/27/77/818622777.db2.gz HWCZCYPCGOXQKL-ZMLRMANQSA-N 1 0 289.272 3.343 20 10 CGCDRO Oc1cc(O)c(C[N@@H+]2CC[C@H](C3CCCCC3)C2)cc1O ZINC001233486574 818625590 /nfs/dbraw/zinc/62/55/90/818625590.db2.gz SNVNOQIGQUVWCU-ZDUSSCGKSA-N 1 0 291.391 3.206 20 10 CGCDRO CCN1CCc2cc(O[C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)ccc21 ZINC001233607173 818657216 /nfs/dbraw/zinc/65/72/16/818657216.db2.gz IVMDCHPAVYPVQN-SCAQPMJSSA-N 1 0 286.419 3.073 20 10 CGCDRO Cn1c(-c2ccccc2CC[NH3+])cc2ccccc21 ZINC001243353654 823363272 /nfs/dbraw/zinc/36/32/72/823363272.db2.gz GWYFNMMLQUBGOF-UHFFFAOYSA-N 1 0 250.345 3.347 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(CN(C)[C@@H]2CCC[NH2+]C2)cc1 ZINC001235343111 819073398 /nfs/dbraw/zinc/07/33/98/819073398.db2.gz SGOFKLAXXYDPNR-LJQANCHMSA-N 1 0 297.446 3.278 20 10 CGCDRO C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1ccc(C(C)(C)C)cc1O ZINC001235676856 819137424 /nfs/dbraw/zinc/13/74/24/819137424.db2.gz WRHMGDFFBHRULA-DOMZBBRYSA-N 1 0 277.408 3.035 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(CN2C[C@H]([NH3+])CC[C@H]2C)cc1 ZINC001235891366 819200052 /nfs/dbraw/zinc/20/00/52/819200052.db2.gz GADQHWNVGGSGAW-RDTXWAMCSA-N 1 0 297.446 3.406 20 10 CGCDRO Cc1cc(CN2C[C@H]([NH3+])C[C@H](C)C2)c(C)n1-c1ccccc1 ZINC001236047516 819285191 /nfs/dbraw/zinc/28/51/91/819285191.db2.gz MBHHZIPVBRPWKG-KBXCAEBGSA-N 1 0 297.446 3.263 20 10 CGCDRO CCCC[C@H]1CN(Cc2cc(Cl)c(C)cc2O)CC[NH2+]1 ZINC001236136693 819337133 /nfs/dbraw/zinc/33/71/33/819337133.db2.gz HPZTYQJYVIFNPR-AWEZNQCLSA-N 1 0 296.842 3.318 20 10 CGCDRO CCC1([NH3+])CN(Cc2ccc(-n3c(C)ccc3C)cc2)C1 ZINC001236185578 819359920 /nfs/dbraw/zinc/35/99/20/819359920.db2.gz PKBCTRLNQQTETH-UHFFFAOYSA-N 1 0 283.419 3.017 20 10 CGCDRO CC(C)(C)C[N@H+](Cc1c([O-])cccc1F)C1CC[NH2+]CC1 ZINC001236458581 819486466 /nfs/dbraw/zinc/48/64/66/819486466.db2.gz UBOFTLRIWNCJRB-UHFFFAOYSA-N 1 0 294.414 3.131 20 10 CGCDRO CC1C[NH+](Cc2cc(OCc3ccccc3)ccc2O)C1 ZINC001236778425 819593125 /nfs/dbraw/zinc/59/31/25/819593125.db2.gz FKONWQCRUJBUJD-UHFFFAOYSA-N 1 0 283.371 3.423 20 10 CGCDRO CCc1ccc(C[N@@H+]2CCn3cccc3[C@@H]2C)c(O)c1 ZINC001236786361 819594615 /nfs/dbraw/zinc/59/46/15/819594615.db2.gz AMYBUQAYJVYMCO-ZDUSSCGKSA-N 1 0 270.376 3.333 20 10 CGCDRO CC(C)[N@H+](CCCO)Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236796399 819598431 /nfs/dbraw/zinc/59/84/31/819598431.db2.gz ORRYLTHMUXRWGK-UHFFFAOYSA-N 1 0 292.206 3.292 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CCC(F)(F)[C@@H](C)C2)c(O)c1 ZINC001236806882 819601604 /nfs/dbraw/zinc/60/16/04/819601604.db2.gz BWRBZXVVKAKOGZ-NSHDSACASA-N 1 0 285.334 3.186 20 10 CGCDRO CCCC[N@H+](C)Cc1c(O)cc(OC)cc1Cl ZINC001236803801 819602040 /nfs/dbraw/zinc/60/20/40/819602040.db2.gz PDQUFTHUMZLKAI-UHFFFAOYSA-N 1 0 257.761 3.286 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CC3CCC2CC3)c(Cl)c1 ZINC001236804743 819602504 /nfs/dbraw/zinc/60/25/04/819602504.db2.gz XJWPGEVBIZYNJO-UHFFFAOYSA-N 1 0 281.783 3.429 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CCc3ccccc3C2)c(O)c1 ZINC001236812675 819604145 /nfs/dbraw/zinc/60/41/45/819604145.db2.gz AOIXDSYRWAPRSY-UHFFFAOYSA-N 1 0 283.371 3.268 20 10 CGCDRO COc1cc(C)c(C[N@H+](CC2CC2)C(C)C)c(O)c1 ZINC001236813975 819605003 /nfs/dbraw/zinc/60/50/03/819605003.db2.gz NQFFBJQEOYQESY-UHFFFAOYSA-N 1 0 263.381 3.330 20 10 CGCDRO Oc1cc2ccccc2cc1C[N@@H+]1CCc2cnccc2C1 ZINC001236827135 819609773 /nfs/dbraw/zinc/60/97/73/819609773.db2.gz PTBYZHQXJPMZNC-UHFFFAOYSA-N 1 0 290.366 3.499 20 10 CGCDRO C[C@H]1CC[N@H+](Cc2cc3ccccc3cc2O)CC[C@H]1O ZINC001236826737 819610255 /nfs/dbraw/zinc/61/02/55/819610255.db2.gz MBDWBMOJZGLSBQ-SUMWQHHRSA-N 1 0 285.387 3.138 20 10 CGCDRO Oc1cc2ccccc2cc1C[NH+]1CCC2(COC2)CC1 ZINC001236826444 819610312 /nfs/dbraw/zinc/61/03/12/819610312.db2.gz JRXHQYVCUAXEHY-UHFFFAOYSA-N 1 0 283.371 3.158 20 10 CGCDRO CC[N@H+](CCn1cccn1)Cc1cc2ccccc2cc1O ZINC001236833164 819613545 /nfs/dbraw/zinc/61/35/45/819613545.db2.gz OWQFCXYAOTTWJY-UHFFFAOYSA-N 1 0 295.386 3.264 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2CC[C@H](C)[C@@](C)(O)CC2)c(O)c1 ZINC001237047021 819650188 /nfs/dbraw/zinc/65/01/88/819650188.db2.gz YQNBHQDHOOGQJX-KSSFIOAISA-N 1 0 291.435 3.499 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2C[C@@H]3CCCC(=O)[C@@H]3C2)c(O)c1 ZINC001237050351 819651666 /nfs/dbraw/zinc/65/16/66/819651666.db2.gz AONBNDFSGJBCJA-GOEBONIOSA-N 1 0 287.403 3.317 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CCCC[C@@H](F)C2)c(O)c1 ZINC001237050149 819652845 /nfs/dbraw/zinc/65/28/45/819652845.db2.gz QKNBRZDVKKKUQX-CYBMUJFWSA-N 1 0 267.344 3.115 20 10 CGCDRO Cc1cccc(O)c1C[N@H+](C)Cc1nc2ccccc2o1 ZINC001237488046 819762019 /nfs/dbraw/zinc/76/20/19/819762019.db2.gz PWXVMFHXUWZFIQ-UHFFFAOYSA-N 1 0 282.343 3.474 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@H](C(=O)c2ccccc2)C1 ZINC001237495294 819763633 /nfs/dbraw/zinc/76/36/33/819763633.db2.gz OVTBJEMXSYNQBB-MRXNPFEDSA-N 1 0 295.382 3.405 20 10 CGCDRO Cc1cccc(O)c1C[NH+]1CC(C)(C)OC(C)(C)C1 ZINC001237491088 819764774 /nfs/dbraw/zinc/76/47/74/819764774.db2.gz GPTXTKSQDUFPFF-UHFFFAOYSA-N 1 0 263.381 3.090 20 10 CGCDRO CC(=O)C[N@@H+](C)Cc1cc(-c2ccc(F)cc2)ccc1O ZINC001237642059 819795091 /nfs/dbraw/zinc/79/50/91/819795091.db2.gz YGKBAZWHFHCFMD-UHFFFAOYSA-N 1 0 287.334 3.219 20 10 CGCDRO CC[C@H]1CCCC[N@@H+]1Cc1cc(OC)cc(OC)c1O ZINC001237675703 819803541 /nfs/dbraw/zinc/80/35/41/819803541.db2.gz CQRPBDVEGWBLLK-ZDUSSCGKSA-N 1 0 279.380 3.174 20 10 CGCDRO COc1cc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)c(O)c(OC)c1 ZINC001237678636 819803810 /nfs/dbraw/zinc/80/38/10/819803810.db2.gz QGTLBCKFRQWWQF-SWLSCSKDSA-N 1 0 291.391 3.174 20 10 CGCDRO COCC[N@H+](Cc1cc(Cl)cc(C)c1O)C(C)C ZINC001237687884 819808595 /nfs/dbraw/zinc/80/85/95/819808595.db2.gz XQZVTDCEJXLNQW-UHFFFAOYSA-N 1 0 271.788 3.211 20 10 CGCDRO O=C(C1=CCC[NH2+]CC1)N(CC1CCC1)c1ccccc1 ZINC001339974947 936393580 /nfs/dbraw/zinc/39/35/80/936393580.db2.gz VVNPVTQYAQICDM-UHFFFAOYSA-N 1 0 284.403 3.130 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H]2CCS[C@H](C)C2)c1O ZINC001343287459 936493947 /nfs/dbraw/zinc/49/39/47/936493947.db2.gz RQACKQMHWQEQRO-DGCLKSJQSA-N 1 0 251.395 3.074 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CCO[C@H]1CC1(F)F ZINC001346869495 936864777 /nfs/dbraw/zinc/86/47/77/936864777.db2.gz RTCBEGOUKQXYDL-WZRBSPASSA-N 1 0 297.345 3.263 20 10 CGCDRO COc1cccc(F)c1C[NH2+]Cc1cc(C)ccc1O ZINC001355293411 937134560 /nfs/dbraw/zinc/13/45/60/937134560.db2.gz YANKXXMYMFXTET-UHFFFAOYSA-N 1 0 275.323 3.138 20 10 CGCDRO CC(C)COCC[C@@H](C)[N@H+](C)Cc1ccccc1O ZINC001172485878 928222235 /nfs/dbraw/zinc/22/22/35/928222235.db2.gz ZREDAHXEUDMPNJ-CQSZACIVSA-N 1 0 265.397 3.275 20 10 CGCDRO COC[C@]1(C)CC[N@H+](Cc2cc(C(C)C)ccc2O)C1 ZINC001560846061 937237790 /nfs/dbraw/zinc/23/77/90/937237790.db2.gz XZXXSFIAZUCMID-QGZVFWFLSA-N 1 0 277.408 3.374 20 10 CGCDRO COCc1ccccc1C[NH2+]Cc1cc(Cl)ccc1O ZINC000037762696 928692003 /nfs/dbraw/zinc/69/20/03/928692003.db2.gz BYWCYJJXEJMDOX-UHFFFAOYSA-N 1 0 291.778 3.482 20 10 CGCDRO CCOc1cccc(C[NH2+]C2(C3(C)CC3)CC2)c1O ZINC000398254828 928805219 /nfs/dbraw/zinc/80/52/19/928805219.db2.gz PNBOJRYGPFOEEB-UHFFFAOYSA-N 1 0 261.365 3.213 20 10 CGCDRO CCOc1ccc(N2CC[NH+]([C@@H](C)CC)CC2)cc1 ZINC001116928039 928882411 /nfs/dbraw/zinc/88/24/11/928882411.db2.gz IDEBPGYCNGASRD-AWEZNQCLSA-N 1 0 262.397 3.006 20 10 CGCDRO C[C@@]1(C[NH2+]Cc2ccc3c(c2)CCCO3)CCCC[C@@H]1O ZINC001461287802 937574747 /nfs/dbraw/zinc/57/47/47/937574747.db2.gz QXXKEXGWYRLLBN-ROUUACIJSA-N 1 0 289.419 3.042 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@H](CO)CC2CCC2)cc1C ZINC001461531593 937584720 /nfs/dbraw/zinc/58/47/20/937584720.db2.gz LCITZUUYGHFEAQ-KRWDZBQOSA-N 1 0 291.435 3.425 20 10 CGCDRO CC[C@@H](C)[C@@H](C[N@H+](C)Cc1ccc(N(C)C)cc1)OC ZINC001461838643 937600945 /nfs/dbraw/zinc/60/09/45/937600945.db2.gz OPVAOJXUQMMKLY-RHSMWYFYSA-N 1 0 278.440 3.246 20 10 CGCDRO CCn1cc([C@H](C)[NH2+]Cc2ccc(Cl)cc2O)cn1 ZINC001462257294 937627850 /nfs/dbraw/zinc/62/78/50/937627850.db2.gz ZOQZYUDKHYYWIG-JTQLQIEISA-N 1 0 279.771 3.113 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+][C@H]2CCCn3nccc32)c1 ZINC001462526638 937648139 /nfs/dbraw/zinc/64/81/39/937648139.db2.gz IRXKDFAKJCLTEX-HNNXBMFYSA-N 1 0 285.391 3.337 20 10 CGCDRO [O-]c1c(C[NH2+]Cc2noc3ccccc23)ccc(F)c1F ZINC001462573745 937651614 /nfs/dbraw/zinc/65/16/14/937651614.db2.gz QIGXQUULGHQBDK-UHFFFAOYSA-N 1 0 290.269 3.101 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCOC[C@]2(C)C2CC2)cc1 ZINC001308140283 933056695 /nfs/dbraw/zinc/05/66/95/933056695.db2.gz IVRFDSTUCXZWHN-GOSISDBHSA-N 1 0 288.435 3.144 20 10 CGCDRO CCCOc1ccc(C[NH2+]C[C@]2(C)CCCO2)cc1C ZINC001308306479 933093132 /nfs/dbraw/zinc/09/31/32/933093132.db2.gz VOPUEFHACHTVAG-KRWDZBQOSA-N 1 0 277.408 3.443 20 10 CGCDRO CCCOc1ccc(C[NH2+]CCO[C@@H]2CC2(F)F)cc1C ZINC001308458697 933113531 /nfs/dbraw/zinc/11/35/31/933113531.db2.gz UTNDTJVFOVRZOO-OAHLLOKOSA-N 1 0 299.361 3.298 20 10 CGCDRO CCC[C@@H](C[N@H+](CCC)Cc1ccccc1O)OC ZINC001308617083 933142781 /nfs/dbraw/zinc/14/27/81/933142781.db2.gz IKPNCDVTXSGTBG-HNNXBMFYSA-N 1 0 265.397 3.419 20 10 CGCDRO Cc1cc(O)c(CN(C)CC2([NH+](C)C)CCC2)c(Cl)c1 ZINC001308707910 933163659 /nfs/dbraw/zinc/16/36/59/933163659.db2.gz RDFFDVKGQAORRC-UHFFFAOYSA-N 1 0 296.842 3.270 20 10 CGCDRO CCC[C@@]1(CO)CCC[N@@H+]1Cc1cc(Cl)c(C)cc1O ZINC001308728373 933165327 /nfs/dbraw/zinc/16/53/27/933165327.db2.gz GKAJDFVAJGMXIS-INIZCTEOSA-N 1 0 297.826 3.481 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H](CO)CCC(C)C)cc1Cl ZINC001308865678 933192481 /nfs/dbraw/zinc/19/24/81/933192481.db2.gz UALZQAOKDKZSSJ-CYBMUJFWSA-N 1 0 285.815 3.241 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H](CO)CCC(C)C)cc1Cl ZINC001308865679 933193275 /nfs/dbraw/zinc/19/32/75/933193275.db2.gz UALZQAOKDKZSSJ-ZDUSSCGKSA-N 1 0 285.815 3.241 20 10 CGCDRO CC1(C)CC[C@H](CO)[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC001308915651 933203975 /nfs/dbraw/zinc/20/39/75/933203975.db2.gz YXDPEAQZQIPABA-GFCCVEGCSA-N 1 0 283.799 3.029 20 10 CGCDRO COc1cc(C)c(C[NH2+]Cc2noc3ccccc23)c(O)c1 ZINC001308935140 933207741 /nfs/dbraw/zinc/20/77/41/933207741.db2.gz MOIVBYNLLYGRGI-UHFFFAOYSA-N 1 0 298.342 3.140 20 10 CGCDRO Oc1cc(Cl)ccc1C[NH2+]C[C@H]1CC2(CCC2)CO1 ZINC001308944130 933208527 /nfs/dbraw/zinc/20/85/27/933208527.db2.gz PYIHBTCMFPNIDE-CYBMUJFWSA-N 1 0 281.783 3.094 20 10 CGCDRO Oc1cc(Cl)ccc1C[NH2+]C[C@@H]1CC2(CCC2)CO1 ZINC001308944133 933208987 /nfs/dbraw/zinc/20/89/87/933208987.db2.gz PYIHBTCMFPNIDE-ZDUSSCGKSA-N 1 0 281.783 3.094 20 10 CGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)cc1 ZINC001474746833 934009427 /nfs/dbraw/zinc/00/94/27/934009427.db2.gz GLSJKRKUTCAYMD-FPXTWJHWSA-N 1 0 270.420 3.498 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CCN1CC[C@@H](C)C1 ZINC001320248551 934019521 /nfs/dbraw/zinc/01/95/21/934019521.db2.gz WIZJIFJNYIUCQM-YUELXQCFSA-N 1 0 288.435 3.180 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H](C)CC(=O)OC(C)(C)C)c(O)c1 ZINC001320253498 934021206 /nfs/dbraw/zinc/02/12/06/934021206.db2.gz WVVGXIAFXRTTEC-OLZOCXBDSA-N 1 0 293.407 3.472 20 10 CGCDRO CC(C)(O)C[N@H+](Cc1ccc(N2CCCC2)cc1)C1CC1 ZINC001320485993 934052570 /nfs/dbraw/zinc/05/25/70/934052570.db2.gz JKCQPRKXOAEWOU-UHFFFAOYSA-N 1 0 288.435 3.022 20 10 CGCDRO CO[C@H](C)[C@H](C)[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC001321714290 934206875 /nfs/dbraw/zinc/20/68/75/934206875.db2.gz WXYHMPMTUSCNNL-YVECIDJPSA-N 1 0 263.381 3.262 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C2(C)CC2)c(C(F)(F)F)c1 ZINC001322402641 934292608 /nfs/dbraw/zinc/29/26/08/934292608.db2.gz UEWOQZPRIJDUPW-UHFFFAOYSA-N 1 0 272.314 3.414 20 10 CGCDRO CCC[C@H](C)[C@@H](CO)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001327271242 935049630 /nfs/dbraw/zinc/04/96/30/935049630.db2.gz WYSUBOVIYSMLDA-MAUKXSAKSA-N 1 0 290.451 3.174 20 10 CGCDRO CC(C)C[C@H](CO)[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001327421354 935058624 /nfs/dbraw/zinc/05/86/24/935058624.db2.gz XCYLDGIFPGXZIA-GOSISDBHSA-N 1 0 290.451 3.126 20 10 CGCDRO CC[C@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)[C@H]1CCCO1 ZINC001329721101 935241819 /nfs/dbraw/zinc/24/18/19/935241819.db2.gz AFTXMTIATJOJGI-GOEBONIOSA-N 1 0 298.377 3.078 20 10 CGCDRO CO[C@H]1CC[C@@H]([NH2+]Cc2ccc3ccccc3c2O)C1 ZINC001330432160 935288003 /nfs/dbraw/zinc/28/80/03/935288003.db2.gz MJVKKCSTUIUNBU-CABCVRRESA-N 1 0 271.360 3.203 20 10 CGCDRO [O-]c1c(F)cc(F)cc1C[N@@H+]1CCOCC2(CCCC2)C1 ZINC001331547744 935392482 /nfs/dbraw/zinc/39/24/82/935392482.db2.gz IEAIXQRUAPYAEH-UHFFFAOYSA-N 1 0 297.345 3.063 20 10 CGCDRO Nc1ccc(C[NH2+][C@@H]2CCOc3c(F)cccc32)cc1 ZINC001334774548 936112729 /nfs/dbraw/zinc/11/27/29/936112729.db2.gz LCWSAOONADBHAF-OAHLLOKOSA-N 1 0 272.323 3.021 20 10 CGCDRO CCS[C@@H]1CC[C@@H]([N@H+](C)Cc2ccc(N)cc2)C1 ZINC001334774276 936112801 /nfs/dbraw/zinc/11/28/01/936112801.db2.gz HRGYGCVPBHSAMJ-HUUCEWRRSA-N 1 0 264.438 3.375 20 10 CGCDRO Cc1cc(CC[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3C)nn1C ZINC001335295410 936137320 /nfs/dbraw/zinc/13/73/20/936137320.db2.gz CTEGWAGUVFZWHS-WFASDCNBSA-N 1 0 299.418 3.123 20 10 CGCDRO CN(C)c1cc[nH+]c(NCc2ccc(N3CCCC3)cc2)c1 ZINC001474085192 937839315 /nfs/dbraw/zinc/83/93/15/937839315.db2.gz LHMYXMMQEIYBSZ-UHFFFAOYSA-N 1 0 296.418 3.360 20 10 CGCDRO CC[C@@H]1C[N@H+](CC)CCN1Cc1ccc(N(C)CC)cc1 ZINC001559835585 938236830 /nfs/dbraw/zinc/23/68/30/938236830.db2.gz OMQCYOWISZMHSN-QGZVFWFLSA-N 1 0 289.467 3.059 20 10 CGCDRO CC(=O)Oc1ccc(C[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC001560074753 938243046 /nfs/dbraw/zinc/24/30/46/938243046.db2.gz DPQRUWNOHXEXEW-LBPRGKRZSA-N 1 0 285.343 3.168 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+][C@H]2CSC[C@@H]2C)c1 ZINC001560823582 938277862 /nfs/dbraw/zinc/27/78/62/938277862.db2.gz LGGGRNDISUPJOG-FZMZJTMJSA-N 1 0 265.422 3.357 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+]CCC[C@H]2CCOC2)c1 ZINC001560834560 938278256 /nfs/dbraw/zinc/27/82/56/938278256.db2.gz QGMMDXNTOPYVHK-AWEZNQCLSA-N 1 0 277.408 3.422 20 10 CGCDRO COc1cc(C)cc(C[NH2+]C[C@@]23C[C@@H]2CCCC3)c1O ZINC001561008595 938289085 /nfs/dbraw/zinc/28/90/85/938289085.db2.gz DVZXRKQCFNAKOV-WMLDXEAASA-N 1 0 275.392 3.379 20 10 CGCDRO CS[C@@H]1CCC[C@H]([NH2+]CCc2ccc(N)cc2)C1 ZINC001579369583 962618690 /nfs/dbraw/zinc/61/86/90/962618690.db2.gz GASXYVALSQETFQ-LSDHHAIUSA-N 1 0 264.438 3.075 20 10 CGCDRO Nc1ccc(C[N@@H+](Cc2ccco2)C[C@H]2CCCO2)cc1 ZINC001580443480 962722361 /nfs/dbraw/zinc/72/23/61/962722361.db2.gz JYSOOMUEDYMKRG-QGZVFWFLSA-N 1 0 286.375 3.043 20 10 CGCDRO Nc1ccc(C[N@@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)cc1 ZINC001580443625 962727330 /nfs/dbraw/zinc/72/73/30/962727330.db2.gz TVVZMLCAWRPQDG-SJORKVTESA-N 1 0 286.419 3.050 20 10 CGCDRO CN(C)[C@H](C[NH2+][C@H]1CCc2cccc(O)c21)c1ccccc1 ZINC000295930944 282249788 /nfs/dbraw/zinc/24/97/88/282249788.db2.gz KFXOSTQETLDUBT-DLBZAZTESA-N 1 0 296.414 3.272 20 10 CGCDRO C[C@@H](CO)[C@H](C)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000077422476 345573317 /nfs/dbraw/zinc/57/33/17/345573317.db2.gz QKDRFDZHVGZFOB-KBPBESRZSA-N 1 0 285.387 3.166 20 10 CGCDRO CC[C@@H](C)C[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000093065036 345868135 /nfs/dbraw/zinc/86/81/35/345868135.db2.gz FQIHSODKJFJHHB-OAHLLOKOSA-N 1 0 290.451 3.031 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21)c1ccc(N(C)C)cc1 ZINC000124894836 370929217 /nfs/dbraw/zinc/92/92/17/370929217.db2.gz LTRNEOTWDMDEAY-OKDNKWQNSA-N 1 0 288.435 3.361 20 10 CGCDRO C[C@H]([NH2+]C[C@H](c1ccccc1)N(C)C)c1ccccc1O ZINC000020093964 368802317 /nfs/dbraw/zinc/80/23/17/368802317.db2.gz DTPMLBOLCLSPLZ-WMLDXEAASA-N 1 0 284.403 3.346 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)[C@@H]1CCCO1 ZINC000020208476 368805667 /nfs/dbraw/zinc/80/56/67/368805667.db2.gz GBQBDJPAYKUSGB-YJBOKZPZSA-N 1 0 288.435 3.334 20 10 CGCDRO C[C@@H]([NH2+]C1CCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000020551016 368808521 /nfs/dbraw/zinc/80/85/21/368808521.db2.gz UQFWRAHRSGBQEO-CYBMUJFWSA-N 1 0 292.398 3.256 20 10 CGCDRO C[NH+](C)Cc1ccc(NCc2ccccc2O)cc1 ZINC000037141228 369068121 /nfs/dbraw/zinc/06/81/21/369068121.db2.gz JNIUJKRHPVQREN-UHFFFAOYSA-N 1 0 256.349 3.066 20 10 CGCDRO CC[C@@H]([NH2+]CCc1ccncc1)c1ccccc1O ZINC000048261408 369338225 /nfs/dbraw/zinc/33/82/25/369338225.db2.gz AQJOSQOWPYJKKT-OAHLLOKOSA-N 1 0 256.349 3.071 20 10 CGCDRO COc1cccc(C[N@H+]([C@H](C)C2CC2)C2CC2)c1O ZINC000092009778 370087087 /nfs/dbraw/zinc/08/70/87/370087087.db2.gz WECKNUVMIZBJHR-LLVKDONJSA-N 1 0 261.365 3.164 20 10 CGCDRO [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CC1CCOCC1 ZINC000110904296 370390691 /nfs/dbraw/zinc/39/06/91/370390691.db2.gz XVPDDIRIHUVRLA-UHFFFAOYSA-N 1 0 290.190 3.215 20 10 CGCDRO CSC[C@@H](C)[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000134922569 371375333 /nfs/dbraw/zinc/37/53/33/371375333.db2.gz FBUMNEKWCVHSNW-RKDXNWHRSA-N 1 0 259.802 3.448 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@H]2c3ccccc3O[C@H]2C)c1 ZINC000288425394 371736870 /nfs/dbraw/zinc/73/68/70/371736870.db2.gz BHHQRYKOIFBASS-KPZWWZAWSA-N 1 0 299.370 3.403 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H](C)[C@@H](O)c2ccccc2)cc1C ZINC000288671351 371743504 /nfs/dbraw/zinc/74/35/04/371743504.db2.gz WLCFKVYKVQBSDF-KBXCAEBGSA-N 1 0 285.387 3.221 20 10 CGCDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1Cc1c(O)cccc1Cl ZINC000289143784 371750886 /nfs/dbraw/zinc/75/08/86/371750886.db2.gz ANBLEUAOJYVEIG-IUODEOHRSA-N 1 0 294.826 3.104 20 10 CGCDRO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1O ZINC000290385597 371979367 /nfs/dbraw/zinc/97/93/67/371979367.db2.gz IJUGBBABANMNIH-AWEZNQCLSA-N 1 0 289.354 3.208 20 10 CGCDRO CO[C@](C)(C[NH2+][C@@H](C)c1ccc(N(C)C)cc1)C1CC1 ZINC000291388771 372168094 /nfs/dbraw/zinc/16/80/94/372168094.db2.gz ZVSVYUPKOHTNCV-SUMWQHHRSA-N 1 0 276.424 3.218 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCOC(C)(C)C1)c1ccc(N(C)C)cc1 ZINC000159941628 372196134 /nfs/dbraw/zinc/19/61/34/372196134.db2.gz HKICMCRQPRGPDD-ZFWWWQNUSA-N 1 0 276.424 3.361 20 10 CGCDRO CO[C@@H](C)CC[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000293759525 372473866 /nfs/dbraw/zinc/47/38/66/372473866.db2.gz OUAVXDHSZJKBOC-STQMWFEESA-N 1 0 251.370 3.085 20 10 CGCDRO CCc1noc(C)c1C[NH2+][C@H](C)c1ccc(C)cc1O ZINC000293770859 372474938 /nfs/dbraw/zinc/47/49/38/372474938.db2.gz SEUQYGZTKWNHCK-LLVKDONJSA-N 1 0 274.364 3.410 20 10 CGCDRO CSC[C@@H](C)[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000293643836 372434489 /nfs/dbraw/zinc/43/44/89/372434489.db2.gz IFHFUFOJILUHFV-VXGBXAGGSA-N 1 0 253.411 3.411 20 10 CGCDRO CO[C@@H](C[NH2+][C@@H](C)c1c(C)cc(C)cc1O)C1CC1 ZINC000293713155 372459648 /nfs/dbraw/zinc/45/96/48/372459648.db2.gz MXHPQUGDIRKMCH-WFASDCNBSA-N 1 0 263.381 3.085 20 10 CGCDRO COc1ncc(C[NH2+]Cc2cc(C)ccc2O)cc1Cl ZINC000295117464 372694947 /nfs/dbraw/zinc/69/49/47/372694947.db2.gz WXEPUJOLAKNRTA-UHFFFAOYSA-N 1 0 292.766 3.047 20 10 CGCDRO COC1(C[NH2+]Cc2c(O)cccc2Cl)CCCC1 ZINC000296210776 373053329 /nfs/dbraw/zinc/05/33/29/373053329.db2.gz ZTPHDXLAPPUDPR-UHFFFAOYSA-N 1 0 269.772 3.094 20 10 CGCDRO CC(=O)Nc1ccc(C[NH2+][C@@H]2CCc3cccc(O)c32)cc1 ZINC000296161235 373040428 /nfs/dbraw/zinc/04/04/28/373040428.db2.gz XGOWKACFCXDJDR-MRXNPFEDSA-N 1 0 296.370 3.128 20 10 CGCDRO C[C@H](CCCO)C[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000296603839 373190750 /nfs/dbraw/zinc/19/07/50/373190750.db2.gz VUAYKGJIKXWIQW-GHMZBOCLSA-N 1 0 271.788 3.105 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]CCc1ccc(Cl)nc1)CC2 ZINC000297100974 373256815 /nfs/dbraw/zinc/25/68/15/373256815.db2.gz XQPKJDDXKUFPLU-ZDUSSCGKSA-N 1 0 288.778 3.260 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CC[C@@H](C)CCO)c(O)c1C ZINC000297325135 373265689 /nfs/dbraw/zinc/26/56/89/373265689.db2.gz NPLKHTBVSIMQNF-RISCZKNCSA-N 1 0 265.397 3.068 20 10 CGCDRO Cc1nccn1CCCC[NH2+][C@@H](C)c1ccccc1O ZINC000179877723 373934277 /nfs/dbraw/zinc/93/42/77/373934277.db2.gz LJDPDWMJFWVEFZ-ZDUSSCGKSA-N 1 0 273.380 3.028 20 10 CGCDRO C[C@H](C[N@H+](C)Cc1ccccc1O)c1nccs1 ZINC000183253739 374392618 /nfs/dbraw/zinc/39/26/18/374392618.db2.gz PJZZGGAWNGJVII-LLVKDONJSA-N 1 0 262.378 3.084 20 10 CGCDRO C[C@@H](C[N@H+](C)Cc1ccccc1O)c1nccs1 ZINC000183253721 374393368 /nfs/dbraw/zinc/39/33/68/374393368.db2.gz PJZZGGAWNGJVII-NSHDSACASA-N 1 0 262.378 3.084 20 10 CGCDRO Cc1cccc(C[N@@H+](C)C[C@H](C)c2nccs2)c1O ZINC000183254849 374393722 /nfs/dbraw/zinc/39/37/22/374393722.db2.gz VDIPOQRSXQJHRX-LBPRGKRZSA-N 1 0 276.405 3.393 20 10 CGCDRO C[C@@H]([NH2+]CCN1CCc2ccccc2C1)c1ccccc1O ZINC000183397007 374409874 /nfs/dbraw/zinc/40/98/74/374409874.db2.gz PEETVYWEQMMDNX-OAHLLOKOSA-N 1 0 296.414 3.101 20 10 CGCDRO CCc1noc(CC)c1C[NH2+][C@@H](C)c1ccccc1O ZINC000183550522 374426690 /nfs/dbraw/zinc/42/66/90/374426690.db2.gz KLVPXKPZZPYFSB-NSHDSACASA-N 1 0 274.364 3.356 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(C(C)(C)O)cc2)c1 ZINC000187501435 375032567 /nfs/dbraw/zinc/03/25/67/375032567.db2.gz NSNQWNIJLDSOKW-UHFFFAOYSA-N 1 0 285.387 3.218 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCC[C@@H]1CCO)c1cc(Cl)ccc1O ZINC000187975159 375130206 /nfs/dbraw/zinc/13/02/06/375130206.db2.gz XAYKYCVHJXGEJR-JTNHKYCSSA-N 1 0 283.799 3.247 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCC[C@@H]2CCO)cc1 ZINC000189967116 375463651 /nfs/dbraw/zinc/46/36/51/375463651.db2.gz FQTKRHXVJHGYDY-AEFFLSMTSA-N 1 0 290.451 3.174 20 10 CGCDRO Oc1ccccc1C[NH2+][C@H]1CCOc2c(F)cccc21 ZINC000191126347 375582291 /nfs/dbraw/zinc/58/22/91/375582291.db2.gz IUCNOAOCGSWCOA-AWEZNQCLSA-N 1 0 273.307 3.145 20 10 CGCDRO C[C@H]([NH2+]CCCn1cnc2ccccc21)c1ccccc1O ZINC000192930928 375805116 /nfs/dbraw/zinc/80/51/16/375805116.db2.gz VCWZOVVGNAMLDG-AWEZNQCLSA-N 1 0 295.386 3.483 20 10 CGCDRO CSC1(C[NH2+][C@@H](C)c2cc(F)ccc2O)CC1 ZINC000193826110 375927601 /nfs/dbraw/zinc/92/76/01/375927601.db2.gz VLWGBRYCRHRJIQ-VIFPVBQESA-N 1 0 255.358 3.078 20 10 CGCDRO Cc1cccc(C[NH2+]C[C@@H](C)c2nccs2)c1O ZINC000230694076 376534911 /nfs/dbraw/zinc/53/49/11/376534911.db2.gz CBJYYKMQNZMFHG-LLVKDONJSA-N 1 0 262.378 3.050 20 10 CGCDRO CC[C@H](CO)[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000268715034 378094414 /nfs/dbraw/zinc/09/44/14/378094414.db2.gz MDUCYJHNMIGOCW-GOEBONIOSA-N 1 0 276.424 3.098 20 10 CGCDRO CC(C)[C@@H]1C[C@H]([NH2+]Cc2c(O)cccc2Cl)CCO1 ZINC000271492089 378495096 /nfs/dbraw/zinc/49/50/96/378495096.db2.gz JMOOGMPQYITYCX-ABAIWWIYSA-N 1 0 283.799 3.339 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCO[C@@H](C)C2)cc1 ZINC000271514104 378495777 /nfs/dbraw/zinc/49/57/77/378495777.db2.gz NMBJNIZYNGHNOC-DZKIICNBSA-N 1 0 276.424 3.361 20 10 CGCDRO CC(C)C[C@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)CCO1 ZINC000271979948 378536570 /nfs/dbraw/zinc/53/65/70/378536570.db2.gz JNDRBIMNNTULHT-WMZOPIPTSA-N 1 0 290.451 3.436 20 10 CGCDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000272338372 378615645 /nfs/dbraw/zinc/61/56/45/378615645.db2.gz YDWWRRPRIBFDAM-CQSZACIVSA-N 1 0 260.312 3.197 20 10 CGCDRO CO[C@@H](C)CC[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000273623302 378757238 /nfs/dbraw/zinc/75/72/38/378757238.db2.gz ZUQWZRZTHUUIEV-AAEUAGOBSA-N 1 0 251.370 3.085 20 10 CGCDRO C[C@H]([NH2+]CC[C@H]1CCO[C@H](C)C1)c1cc(F)ccc1O ZINC000273445472 378745780 /nfs/dbraw/zinc/74/57/80/378745780.db2.gz NSWIOJQARMSHBA-AGIUHOORSA-N 1 0 281.371 3.387 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CC(C)(C)CCCO)c(O)c1C ZINC000273498503 378750566 /nfs/dbraw/zinc/75/05/66/378750566.db2.gz PTROAFNGRTUJDS-AWEZNQCLSA-N 1 0 279.424 3.458 20 10 CGCDRO C[C@@H]([NH2+][C@@H](CO)c1ccc(F)cc1)c1cc(F)ccc1O ZINC000273494590 378750609 /nfs/dbraw/zinc/75/06/09/378750609.db2.gz OWBNMRINDLPSOI-BMIGLBTASA-N 1 0 293.313 3.055 20 10 CGCDRO CCC[C@](C)(O)C[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000273561319 378752879 /nfs/dbraw/zinc/75/28/79/378752879.db2.gz IDCQNGXMTDBBEV-HZMBPMFUSA-N 1 0 271.788 3.247 20 10 CGCDRO CO[C@H](C)CC[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000273600670 378756497 /nfs/dbraw/zinc/75/64/97/378756497.db2.gz RWBHMOHCIUGFFE-ZJUUUORDSA-N 1 0 257.761 3.121 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+][C@H]1COc2c1cccc2Cl ZINC000376168345 379524173 /nfs/dbraw/zinc/52/41/73/379524173.db2.gz WHHIVPITNNDBLA-ZDUSSCGKSA-N 1 0 293.725 3.408 20 10 CGCDRO CO[C@@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])[C@@H](C)C1 ZINC000282300140 379893753 /nfs/dbraw/zinc/89/37/53/379893753.db2.gz MFYGJRQFZLVFSO-CMPLNLGQSA-N 1 0 269.772 3.045 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]C[C@@H]1CC[C@H]3C[C@H]3C1)CC2 ZINC000403779280 379976459 /nfs/dbraw/zinc/97/64/59/379976459.db2.gz XGGIBPKMFBAEDW-FAAHXZRKSA-N 1 0 257.377 3.405 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2C[C@H](N3CCCC3)C[C@H]2C)cc1C ZINC000285264593 380144924 /nfs/dbraw/zinc/14/49/24/380144924.db2.gz XYUPBUJHTMOGCD-NVXWUHKLSA-N 1 0 288.435 3.068 20 10 CGCDRO Cc1nccn1CCC[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000285175863 380145796 /nfs/dbraw/zinc/14/57/96/380145796.db2.gz NBDNSDSSQBCNNI-CQSZACIVSA-N 1 0 287.407 3.255 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@H]2CN(C3CC3)C[C@H]2C)c(O)c1 ZINC000283973570 380110890 /nfs/dbraw/zinc/11/08/90/380110890.db2.gz GPXPGYCCYUJEMI-YCPHGPKFSA-N 1 0 288.435 3.142 20 10 CGCDRO Cc1cc(C[N@H+]2CC[C@@H]2C)c(O)cc1Br ZINC001250120455 805427559 /nfs/dbraw/zinc/42/75/59/805427559.db2.gz DWPFKLWJXOKJPF-VIFPVBQESA-N 1 0 270.170 3.057 20 10 CGCDRO Oc1cccc2c1CC[C@H]2[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297712822 285396007 /nfs/dbraw/zinc/39/60/07/285396007.db2.gz MVTGIDDHFGWCMP-HUUCEWRRSA-N 1 0 281.355 3.362 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCOC2)cc1 ZINC000119616710 392396239 /nfs/dbraw/zinc/39/62/39/392396239.db2.gz VBAVBFNCTJQIAF-OFQRWUPVSA-N 1 0 276.424 3.218 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCC[C@@H]2c2ccncc2)c1O ZINC000289681201 392428729 /nfs/dbraw/zinc/42/87/29/392428729.db2.gz DZMAYRHKKNPFGE-MRXNPFEDSA-N 1 0 268.360 3.433 20 10 CGCDRO C[C@H](c1ccncc1)[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000173498979 392626687 /nfs/dbraw/zinc/62/66/87/392626687.db2.gz AEVVOTFCZFLBLI-CQSZACIVSA-N 1 0 269.392 3.341 20 10 CGCDRO C[C@H](c1cccc(O)c1)[N@H+](C)Cc1ccccc1O ZINC000179573263 392703549 /nfs/dbraw/zinc/70/35/49/392703549.db2.gz GGBNRSVCGUCKNX-GFCCVEGCSA-N 1 0 257.333 3.291 20 10 CGCDRO Oc1ccc(F)cc1C[NH+]1CCC(C2CCOCC2)CC1 ZINC000374899654 392715686 /nfs/dbraw/zinc/71/56/86/392715686.db2.gz SVJOQYQRPFGUTN-UHFFFAOYSA-N 1 0 293.382 3.170 20 10 CGCDRO C[C@H]([NH2+]CCCCO)c1ccc(N2CCCCC2)cc1 ZINC000194214275 392907696 /nfs/dbraw/zinc/90/76/96/392907696.db2.gz VISCGNVRUCZIGA-HNNXBMFYSA-N 1 0 276.424 3.100 20 10 CGCDRO C=Cn1cc(C[N@@H+](CC)Cc2ccc(N(C)C)cc2)cn1 ZINC000193587206 392880742 /nfs/dbraw/zinc/88/07/42/392880742.db2.gz NLCXECJAJOWSHC-UHFFFAOYSA-N 1 0 284.407 3.072 20 10 CGCDRO COCCC(C)(C)C[NH2+]Cc1c(O)cccc1Cl ZINC000230866280 393025205 /nfs/dbraw/zinc/02/52/05/393025205.db2.gz LMLNLYVBFOKQPW-UHFFFAOYSA-N 1 0 271.788 3.198 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](c2ccco2)N(C)C)c1 ZINC000035628768 172307657 /nfs/dbraw/zinc/30/76/57/172307657.db2.gz ADXDNUCVGBFOOO-DZGCQCFKSA-N 1 0 288.391 3.247 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C2CCN(C(C)C)CC2)c1 ZINC000035628922 172307696 /nfs/dbraw/zinc/30/76/96/172307696.db2.gz FQRGYQGTOVFQBS-AWEZNQCLSA-N 1 0 276.424 3.224 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCCOC(C)C)c1 ZINC000035628941 172308050 /nfs/dbraw/zinc/30/80/50/172308050.db2.gz WVBWIBLSSCYVQH-CYBMUJFWSA-N 1 0 251.370 3.166 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)c2ccccc2)c1 ZINC000035629068 172309247 /nfs/dbraw/zinc/30/92/47/172309247.db2.gz RPCRUNDGVBZWTC-SUMWQHHRSA-N 1 0 271.360 3.085 20 10 CGCDRO COCc1ccccc1C[NH2+][C@H](C)c1ccccc1O ZINC000037762709 260116975 /nfs/dbraw/zinc/11/69/75/260116975.db2.gz GTYNGVBCMBQMNW-CYBMUJFWSA-N 1 0 271.360 3.389 20 10 CGCDRO C[C@H]([NH2+]Cc1cccc(N(C)C)c1)c1ccccc1O ZINC000154186905 261088590 /nfs/dbraw/zinc/08/85/90/261088590.db2.gz BXIMWFRAPDXMED-ZDUSSCGKSA-N 1 0 270.376 3.309 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@]1(O)CCc2ccccc21)c1ccccc1O ZINC000156887357 261134695 /nfs/dbraw/zinc/13/46/95/261134695.db2.gz QXQISAWOVAYMGI-MJGOQNOKSA-N 1 0 297.398 3.267 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCO[C@H](C3CC3)C2)c1 ZINC000157884813 261154624 /nfs/dbraw/zinc/15/46/24/261154624.db2.gz FBAHDMRHLPWYOY-PPHDSNJXSA-N 1 0 291.391 3.009 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCO[C@H](C2CC2)C1)c1ccccc1O ZINC000158130102 261159045 /nfs/dbraw/zinc/15/90/45/261159045.db2.gz BZQDUGISPBIISC-KMFMINBZSA-N 1 0 275.392 3.391 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccn(C)c2)cc1 ZINC000158476840 261165372 /nfs/dbraw/zinc/16/53/72/261165372.db2.gz SFRPKMOVQBNHTD-CQSZACIVSA-N 1 0 271.408 3.332 20 10 CGCDRO COc1cc(O)c(C[NH+]2CCCCCCC2)cc1OC ZINC000159473925 261186713 /nfs/dbraw/zinc/18/67/13/261186713.db2.gz QDTMZVZPKDINGR-UHFFFAOYSA-N 1 0 279.380 3.176 20 10 CGCDRO C[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1cc(F)ccc1O ZINC000184945344 262035022 /nfs/dbraw/zinc/03/50/22/262035022.db2.gz IHBIGCVJXOIEQL-MGPLVRAMSA-N 1 0 293.313 3.055 20 10 CGCDRO Cc1n[nH]cc1CCC[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000184978440 262036073 /nfs/dbraw/zinc/03/60/73/262036073.db2.gz DJWDZWYLIFEXTC-LLVKDONJSA-N 1 0 293.798 3.361 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1CCCOC1)c1cc2c(cc1O)CCCC2 ZINC000185090128 262041300 /nfs/dbraw/zinc/04/13/00/262041300.db2.gz BTVJLOAAASPJOX-UONOGXRCSA-N 1 0 289.419 3.348 20 10 CGCDRO Cc1ccccc1[C@@H](O)C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000185435886 262053893 /nfs/dbraw/zinc/05/38/93/262053893.db2.gz NSRVWAPLMQHCGL-SJCJKPOMSA-N 1 0 289.350 3.224 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c1 ZINC000185534316 262058722 /nfs/dbraw/zinc/05/87/22/262058722.db2.gz SMRXICIKOSKXSY-KOZAUXTDSA-N 1 0 275.392 3.165 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](CCO)CC(C)C)c1 ZINC000185614710 262062371 /nfs/dbraw/zinc/06/23/71/262062371.db2.gz IWMIAXAOQCMQRN-HUUCEWRRSA-N 1 0 279.424 3.396 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCCNc2ccccn2)c1 ZINC000185659532 262064667 /nfs/dbraw/zinc/06/46/67/262064667.db2.gz SEDVKOGEKXWLHD-AWEZNQCLSA-N 1 0 285.391 3.248 20 10 CGCDRO C[C@H]([NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1)c1cc(Cl)ccc1O ZINC000185671946 262065171 /nfs/dbraw/zinc/06/51/71/262065171.db2.gz WSIXCPIOTRHROA-NTZNESFSSA-N 1 0 294.826 3.321 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)CC(C)(C)C)c1 ZINC000185481872 262304580 /nfs/dbraw/zinc/30/45/80/262304580.db2.gz OFBUSVMBEQKQHQ-STQMWFEESA-N 1 0 265.397 3.148 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CCS[C@H](CC)C2)c1O ZINC000093502180 276380174 /nfs/dbraw/zinc/38/01/74/276380174.db2.gz NYRZULVOXRCMMC-CYBMUJFWSA-N 1 0 281.421 3.118 20 10 CGCDRO C[C@H](N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(N(C)C)cc1 ZINC000037292610 278282837 /nfs/dbraw/zinc/28/28/37/278282837.db2.gz NJUWQDIQQFJUAB-JCGIZDLHSA-N 1 0 287.451 3.030 20 10 CGCDRO C[C@@H](C[NH2+][C@@H](C)c1ccc2ccccc2c1O)N(C)C ZINC000038088828 278284298 /nfs/dbraw/zinc/28/42/98/278284298.db2.gz NWRPECRHHCYLAD-STQMWFEESA-N 1 0 272.392 3.146 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1ccc(N(C)C)cc1 ZINC000271511777 278371826 /nfs/dbraw/zinc/37/18/26/278371826.db2.gz NWNDCUZTYIPFEA-MLGOLLRUSA-N 1 0 284.407 3.204 20 10 CGCDRO Cc1cccc(C[N@H+](Cc2ccccn2)C2CC2)c1O ZINC000290425240 281215631 /nfs/dbraw/zinc/21/56/31/281215631.db2.gz LACDBVKNYPFJRS-UHFFFAOYSA-N 1 0 268.360 3.260 20 10 CGCDRO C[C@H]1Oc2ccccc2[C@@H]1[NH2+]Cc1cc(F)ccc1O ZINC000290243060 328258565 /nfs/dbraw/zinc/25/85/65/328258565.db2.gz UVAAZSJSJBWXGE-QLJPJBMISA-N 1 0 273.307 3.143 20 10 CGCDRO Cc1ccc(O)c(C[N@H+](C)Cc2ccc(O)cc2)c1 ZINC000290586894 328259528 /nfs/dbraw/zinc/25/95/28/328259528.db2.gz VABVGDCMGCIIBG-UHFFFAOYSA-N 1 0 257.333 3.038 20 10 CGCDRO COc1cccc(C[NH2+][C@H](C)Cc2ccc(C)s2)c1O ZINC000078003611 326924171 /nfs/dbraw/zinc/92/41/71/326924171.db2.gz ZPSKIJJXZSQLPZ-LLVKDONJSA-N 1 0 291.416 3.492 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H](c3ccco3)C2)c1 ZINC000378346178 329046740 /nfs/dbraw/zinc/04/67/40/329046740.db2.gz PNTLHEHVVGFQEP-ZDUSSCGKSA-N 1 0 257.333 3.283 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H]2c2cccc(C)n2)c1 ZINC000180277905 329219243 /nfs/dbraw/zinc/21/92/43/329219243.db2.gz LZHVSMJVZBGJGH-QGZVFWFLSA-N 1 0 298.386 3.441 20 10 CGCDRO Cc1nc([C@H]2CCC[N@@H+]2Cc2ccccc2O)cs1 ZINC000189919796 329390227 /nfs/dbraw/zinc/39/02/27/329390227.db2.gz LBZOCXCPKRJNGE-CQSZACIVSA-N 1 0 274.389 3.494 20 10 CGCDRO CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000249758906 329910005 /nfs/dbraw/zinc/91/00/05/329910005.db2.gz FTSQHPQLGOURTO-QJPTWQEYSA-N 1 0 251.370 3.486 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CC[C@@H]2CCCOC2)c(O)c1 ZINC000527925118 330296486 /nfs/dbraw/zinc/29/64/86/330296486.db2.gz IAHAOISQVOSHCH-KBPBESRZSA-N 1 0 263.381 3.168 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC[C@H]2CCCOC2)c1 ZINC000527925139 330296507 /nfs/dbraw/zinc/29/65/07/330296507.db2.gz IBZLCBBRPUXCCW-ZIAGYGMSSA-N 1 0 263.381 3.168 20 10 CGCDRO CCO[C@@]1(C)C[C@H]1[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000527983905 330298408 /nfs/dbraw/zinc/29/84/08/330298408.db2.gz YAWUNRJEGIGSBS-CSMFUSHTSA-N 1 0 279.355 3.237 20 10 CGCDRO Cc1cccc(C[NH2+]C[C@H](c2cccs2)N(C)C)c1O ZINC000159731024 330850717 /nfs/dbraw/zinc/85/07/17/330850717.db2.gz ASVUUGQWQLSKAN-CQSZACIVSA-N 1 0 290.432 3.155 20 10 CGCDRO COc1ccc(CNC(C)(C)c2nccs2)cc1C ZINC000227219551 333278335 /nfs/dbraw/zinc/27/83/35/333278335.db2.gz FVMJGXIJGQDCKH-UHFFFAOYSA-N 1 0 276.405 3.485 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CCC[C@@H](C)CO)cc1 ZINC000230160397 333315375 /nfs/dbraw/zinc/31/53/75/333315375.db2.gz YAEAXJBUPUMVOU-OAHLLOKOSA-N 1 0 278.440 3.031 20 10 CGCDRO CC[C@](C)(CCO)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000230222405 333315799 /nfs/dbraw/zinc/31/57/99/333315799.db2.gz SSQBMKXXVBPLML-GOSISDBHSA-N 1 0 290.451 3.318 20 10 CGCDRO C[C@@H](CCCCO)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000272347629 334752030 /nfs/dbraw/zinc/75/20/30/334752030.db2.gz CRJSJVGQQBPFEW-INIZCTEOSA-N 1 0 290.451 3.318 20 10 CGCDRO CC[C@H]([NH2+]CC1(CCOC)CC1)c1ccccc1O ZINC000156775856 522571846 /nfs/dbraw/zinc/57/18/46/522571846.db2.gz ROJPNEDOJFCBDC-AWEZNQCLSA-N 1 0 263.381 3.250 20 10 CGCDRO CCC[C@@H]([NH2+]Cc1ccccc1O)[C@@H](O)c1ccccc1 ZINC000279712699 520783032 /nfs/dbraw/zinc/78/30/32/520783032.db2.gz SUBVGQDDPNUIBE-AEFFLSMTSA-N 1 0 285.387 3.384 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CC2=CCCOC2)cc1F ZINC000127173069 520906289 /nfs/dbraw/zinc/90/62/89/520906289.db2.gz ZEUZTRMAQGDIEA-UHFFFAOYSA-N 1 0 292.398 3.108 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@H](C)CCc2ccco2)c1 ZINC000263720351 521154232 /nfs/dbraw/zinc/15/42/32/521154232.db2.gz WFFLCNPFVINGFI-CYBMUJFWSA-N 1 0 289.375 3.495 20 10 CGCDRO CCOc1cccc(C[NH2+]CCc2cccc(F)c2)c1O ZINC000036778728 521363829 /nfs/dbraw/zinc/36/38/29/521363829.db2.gz IKWBTGVXDVBLAM-UHFFFAOYSA-N 1 0 289.350 3.262 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H](CC)CSC)c1O ZINC000163872924 521371181 /nfs/dbraw/zinc/37/11/81/521371181.db2.gz IBFOXSAZSSYUMT-LBPRGKRZSA-N 1 0 269.410 3.022 20 10 CGCDRO CCC(O)(CC)CC[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000276745965 521652853 /nfs/dbraw/zinc/65/28/53/521652853.db2.gz ZWEFDVGLXKDDEI-ZDUSSCGKSA-N 1 0 265.397 3.292 20 10 CGCDRO CC[C@H](CCO)C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000094949722 522144210 /nfs/dbraw/zinc/14/42/10/522144210.db2.gz UKYSJMOCLKZWPP-MRXNPFEDSA-N 1 0 290.451 3.175 20 10 CGCDRO CC[C@H](CCO)C[NH2+][C@@H](CC)c1ccc(C)cc1O ZINC000279974149 522145253 /nfs/dbraw/zinc/14/52/53/522145253.db2.gz DFNXFXTYNYCAPR-HIFRSBDPSA-N 1 0 265.397 3.150 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)cc1 ZINC000127392704 522177894 /nfs/dbraw/zinc/17/78/94/522177894.db2.gz VNOCNQPXFGJJTN-KRWDZBQOSA-N 1 0 269.392 3.418 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H]2[C@H]3Cc4ccccc4[C@@H]23)cc1 ZINC000290389054 522211920 /nfs/dbraw/zinc/21/19/20/522211920.db2.gz ISAOQRZOUCHKQB-IPMKNSEASA-N 1 0 278.399 3.181 20 10 CGCDRO COC[C@H](C)C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000044478414 522578588 /nfs/dbraw/zinc/57/85/88/522578588.db2.gz URUGYLBFNDANCS-OAHLLOKOSA-N 1 0 276.424 3.049 20 10 CGCDRO CC[C@H]([NH2+]CCc1cccnc1)c1ccccc1O ZINC000037717816 522603913 /nfs/dbraw/zinc/60/39/13/522603913.db2.gz AAWDHCUOWKIJHR-HNNXBMFYSA-N 1 0 256.349 3.071 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)COCC(F)(F)F)c1ccccc1O ZINC000274886525 522734246 /nfs/dbraw/zinc/73/42/46/522734246.db2.gz IQIMYGLMFNUYGY-PWSUYJOCSA-N 1 0 291.313 3.400 20 10 CGCDRO CC[C@@H]([NH2+]CC1(O)CCCCC1)c1ccccc1O ZINC000087017806 522820155 /nfs/dbraw/zinc/82/01/55/522820155.db2.gz RSSKXZPMFSBEFB-CQSZACIVSA-N 1 0 263.381 3.128 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](C)c1nnc(C(C)C)[nH]1)c1ccccc1O ZINC000274812126 522917619 /nfs/dbraw/zinc/91/76/19/522917619.db2.gz YDKTZHRUKFXXEW-WCQYABFASA-N 1 0 288.395 3.436 20 10 CGCDRO CC[C@H](c1ccncc1)[N@H+](C)Cc1ccccc1O ZINC000290340569 522965325 /nfs/dbraw/zinc/96/53/25/522965325.db2.gz FKJWZSXBDSMCCL-OAHLLOKOSA-N 1 0 256.349 3.370 20 10 CGCDRO CO[C@@H](C)[C@H](C)[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000276134658 523443927 /nfs/dbraw/zinc/44/39/27/523443927.db2.gz MCNCEMHORWSYDL-XQQFMLRXSA-N 1 0 251.370 3.083 20 10 CGCDRO Cc1cccc(C[NH2+]C[C@](C)(O)C2CCCCC2)c1O ZINC000191653377 524432229 /nfs/dbraw/zinc/43/22/29/524432229.db2.gz QTPDZGFCRLKGFQ-KRWDZBQOSA-N 1 0 277.408 3.122 20 10 CGCDRO C[C@H]([NH2+]CC1=CCCOC1)c1cc(Cl)ccc1O ZINC000287239837 525322223 /nfs/dbraw/zinc/32/22/23/525322223.db2.gz YSPLTKDDBRZMPM-JTQLQIEISA-N 1 0 267.756 3.043 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CC[C@@H](O)c2ccccc2)cc1C ZINC000289395944 525323887 /nfs/dbraw/zinc/32/38/87/525323887.db2.gz FRGMSMXXFHZDOZ-QGZVFWFLSA-N 1 0 285.387 3.222 20 10 CGCDRO Cc1ccc(O)c(C[NH+]2CCC([C@@H]3CCCO3)CC2)c1 ZINC000188280301 525338509 /nfs/dbraw/zinc/33/85/09/525338509.db2.gz UFVPIPJAHDWWTE-KRWDZBQOSA-N 1 0 275.392 3.092 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C(C)C)C(C)(C)O)c1 ZINC000276980564 525365599 /nfs/dbraw/zinc/36/55/99/525365599.db2.gz ZBJVJPSLGSLTLJ-WFASDCNBSA-N 1 0 265.397 3.147 20 10 CGCDRO C[C@H]([NH2+]C[C@@H](O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000037257322 525380139 /nfs/dbraw/zinc/38/01/39/525380139.db2.gz FDLRUDVQIADEPV-KBXCAEBGSA-N 1 0 284.403 3.137 20 10 CGCDRO C[C@@H]([NH2+]CC1(N(C)C)CCC1)c1cc(Cl)ccc1O ZINC000275673631 525422162 /nfs/dbraw/zinc/42/21/62/525422162.db2.gz HLTWVOWVCBDYTE-LLVKDONJSA-N 1 0 282.815 3.181 20 10 CGCDRO C[C@@H]([NH2+]CCC[C@H](C)O)c1ccc2ccccc2c1O ZINC000228031008 525441677 /nfs/dbraw/zinc/44/16/77/525441677.db2.gz FLPBVPAYIUXGAI-QWHCGFSZSA-N 1 0 273.376 3.357 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCSC1)c1cc2c(cc1O)CCCC2 ZINC000273476828 525577225 /nfs/dbraw/zinc/57/72/25/525577225.db2.gz LAPAYAFTNSQOFB-SMDDNHRTSA-N 1 0 277.433 3.427 20 10 CGCDRO C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1O)c1cccnc1 ZINC000094616876 525656551 /nfs/dbraw/zinc/65/65/51/525656551.db2.gz CXUGLAVEDJOCBZ-GHMZBOCLSA-N 1 0 260.312 3.338 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C2CC(F)(F)C2)c(O)c1C ZINC000277089199 525914514 /nfs/dbraw/zinc/91/45/14/525914514.db2.gz KLHOXGZRCZQXSV-JTQLQIEISA-N 1 0 255.308 3.457 20 10 CGCDRO COc1cccc(C[N@@H+]2CC(C)(C)[C@H]2c2cccnc2)c1O ZINC000366541868 525933220 /nfs/dbraw/zinc/93/32/20/525933220.db2.gz AMPBXGPTBFQULT-QGZVFWFLSA-N 1 0 298.386 3.379 20 10 CGCDRO COc1cccc(C[NH2+]CCc2cccc(Cl)c2)c1O ZINC000237204366 526017030 /nfs/dbraw/zinc/01/70/30/526017030.db2.gz FNZQTTYGYSHSJD-UHFFFAOYSA-N 1 0 291.778 3.387 20 10 CGCDRO COc1cccc(C[NH2+]Cc2ccc(SC)cc2)c1O ZINC000237222734 526026183 /nfs/dbraw/zinc/02/61/83/526026183.db2.gz UAEQUQMXUWXYFK-UHFFFAOYSA-N 1 0 289.400 3.413 20 10 CGCDRO CCCC[N@H+](CCOC)Cc1c(O)ccc2ccncc21 ZINC000731661269 572422145 /nfs/dbraw/zinc/42/21/45/572422145.db2.gz WXFUQIVBKBJVKE-UHFFFAOYSA-N 1 0 288.391 3.189 20 10 CGCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]CCN1CCCC1 ZINC000725841949 572435516 /nfs/dbraw/zinc/43/55/16/572435516.db2.gz SLSHRCKZUPFNIH-UHFFFAOYSA-N 1 0 296.414 3.245 20 10 CGCDRO CCOc1ccc(C[NH2+][C@H](C)CCc2ccco2)c(O)c1 ZINC000725841969 572435610 /nfs/dbraw/zinc/43/56/10/572435610.db2.gz UGCYSULETTYPND-CYBMUJFWSA-N 1 0 289.375 3.495 20 10 CGCDRO CC[C@H](C)C[N@H+](C)Cc1c(O)ccc2ccncc21 ZINC000732184088 572451226 /nfs/dbraw/zinc/45/12/26/572451226.db2.gz QOWLJCOGUXMXML-LBPRGKRZSA-N 1 0 258.365 3.418 20 10 CGCDRO Oc1ccc2ccccc2c1C[NH+]1CCN(C2CCC2)CC1 ZINC000733297293 572552453 /nfs/dbraw/zinc/55/24/53/572552453.db2.gz LKXKCVPTKZLPNL-UHFFFAOYSA-N 1 0 296.414 3.216 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2c(C)cccc2F)c1 ZINC000742381138 572573007 /nfs/dbraw/zinc/57/30/07/572573007.db2.gz PPHKNOCPOGYBHU-UHFFFAOYSA-N 1 0 259.324 3.438 20 10 CGCDRO CCCN(CCC)c1ccc(C[NH2+]C[C@@H](O)C2CC2)cc1 ZINC000734844549 572687236 /nfs/dbraw/zinc/68/72/36/572687236.db2.gz MTJYSPOFFVASST-GOSISDBHSA-N 1 0 290.451 3.174 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1C(C)C ZINC000744436651 572752666 /nfs/dbraw/zinc/75/26/66/572752666.db2.gz ZDEARHCAQXRAFW-GASCZTMLSA-N 1 0 275.392 3.187 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCCC(=O)OC(C)(C)C)cc1C ZINC000744450488 572754052 /nfs/dbraw/zinc/75/40/52/572754052.db2.gz WSTXYYARTSDZRM-UHFFFAOYSA-N 1 0 293.407 3.221 20 10 CGCDRO CO[C@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC000746754079 572895180 /nfs/dbraw/zinc/89/51/80/572895180.db2.gz JUYDGMNZZIEPAI-WMZOPIPTSA-N 1 0 288.435 3.334 20 10 CGCDRO CCOc1ccc(C[NH2+]C[C@H](C)c2ccncc2)c(O)c1 ZINC000749294287 572991783 /nfs/dbraw/zinc/99/17/83/572991783.db2.gz FVBLSHQZUUYJJV-ZDUSSCGKSA-N 1 0 286.375 3.079 20 10 CGCDRO CC[C@H]([NH2+]C[C@H]1CCC(C)(C)O1)c1ccccc1O ZINC000187842219 617640633 /nfs/dbraw/zinc/64/06/33/617640633.db2.gz XINPGRCKIONYFI-OCCSQVGLSA-N 1 0 263.381 3.391 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CC[C@H](SC)C2)c1 ZINC000300419044 617788912 /nfs/dbraw/zinc/78/89/12/617788912.db2.gz MNZQRPMTAKMQBD-GVXVVHGQSA-N 1 0 281.421 3.336 20 10 CGCDRO COc1cc(C[N@@H+]2CCC3(CCC3)C2)c(O)cc1C ZINC000160394871 618035674 /nfs/dbraw/zinc/03/56/74/618035674.db2.gz TVOVNCANGBPPDT-UHFFFAOYSA-N 1 0 261.365 3.085 20 10 CGCDRO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846146032 618075091 /nfs/dbraw/zinc/07/50/91/618075091.db2.gz RDYLMICVGYLMSZ-TUAOUCFPSA-N 1 0 251.370 3.486 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CC[C@H](C)[C@@H]2CC)c1O ZINC000187576063 618109830 /nfs/dbraw/zinc/10/98/30/618109830.db2.gz TYPWITSBVAQUCT-JSGCOSHPSA-N 1 0 263.381 3.411 20 10 CGCDRO COc1ccc(C[N@H+]([C@@H](C)C(C)C)C2CC2)c(O)c1OC ZINC000891438896 618205625 /nfs/dbraw/zinc/20/56/25/618205625.db2.gz VSAOFBFFLLBTDD-LBPRGKRZSA-N 1 0 293.407 3.418 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@]2(C)CCCC[C@H]2C)c1 ZINC000308708863 618224864 /nfs/dbraw/zinc/22/48/64/618224864.db2.gz LDGAJWKZQZOWPJ-MLGOLLRUSA-N 1 0 263.381 3.459 20 10 CGCDRO COc1ccc(C[NH+]2CCCCCCC2)c(O)c1OC ZINC000891457576 618227189 /nfs/dbraw/zinc/22/71/89/618227189.db2.gz STHLOLNXROKCHJ-UHFFFAOYSA-N 1 0 279.380 3.176 20 10 CGCDRO COc1ccc(C[N@@H+]2CCC[C@H]2CC(C)C)c(O)c1OC ZINC000891617731 618242273 /nfs/dbraw/zinc/24/22/73/618242273.db2.gz IAHTWWSUSFIVET-AWEZNQCLSA-N 1 0 293.407 3.420 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(C)n2)c1 ZINC000051575085 618610961 /nfs/dbraw/zinc/61/09/61/618610961.db2.gz QYNNOLTVXQSULQ-CYBMUJFWSA-N 1 0 256.349 3.255 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CCc2cc(F)cc(F)c2)cc1 ZINC000051634563 618617409 /nfs/dbraw/zinc/61/74/09/618617409.db2.gz WCVWKXCRIOQBPU-UHFFFAOYSA-N 1 0 290.357 3.363 20 10 CGCDRO COc1ccc(C[NH2+]Cc2ccc(C)cc2)c(O)c1OC ZINC000892439703 618784545 /nfs/dbraw/zinc/78/45/45/618784545.db2.gz YKPBDAUPPYRAED-UHFFFAOYSA-N 1 0 287.359 3.008 20 10 CGCDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2ccccc2O)C1(C)C ZINC000179560840 618794831 /nfs/dbraw/zinc/79/48/31/618794831.db2.gz KECXUVKSZMOZSY-CABCVRRESA-N 1 0 263.381 3.028 20 10 CGCDRO Cc1cc(C[NH+]2CCC(C)(O)CC2)c(O)c(C(C)(C)C)c1 ZINC000177191222 618807166 /nfs/dbraw/zinc/80/71/66/618807166.db2.gz UFHPKUPOUUQMDH-UHFFFAOYSA-N 1 0 291.435 3.345 20 10 CGCDRO COC[C@@H]([NH2+]Cc1cc(Cl)ccc1O)c1ccc(C)o1 ZINC000177568549 618830201 /nfs/dbraw/zinc/83/02/01/618830201.db2.gz GZMYFQSREDQGGQ-CYBMUJFWSA-N 1 0 295.766 3.424 20 10 CGCDRO CC(C)[C@](C)(O)C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000304059222 618898309 /nfs/dbraw/zinc/89/83/09/618898309.db2.gz NUOIDANXDWWMOC-GOSISDBHSA-N 1 0 290.451 3.174 20 10 CGCDRO CN(C)CC(C)(C)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000308613910 618963165 /nfs/dbraw/zinc/96/31/65/618963165.db2.gz KIPRFBZKRVLHTH-UHFFFAOYSA-N 1 0 289.467 3.107 20 10 CGCDRO Cc1cccc(C[N@H+](C)Cc2cccc(F)c2)c1O ZINC000179560813 619009392 /nfs/dbraw/zinc/00/93/92/619009392.db2.gz FTUKTPUYFVUPFP-UHFFFAOYSA-N 1 0 259.324 3.472 20 10 CGCDRO CSC[C@H]1CCC[N@@H+]1Cc1cc2c(cc1O)CCC2 ZINC000178341382 619018547 /nfs/dbraw/zinc/01/85/47/619018547.db2.gz ARAWGWMWDBZFLT-OAHLLOKOSA-N 1 0 277.433 3.208 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCCO[C@H]2CC(C)C)c1 ZINC000185192493 619058442 /nfs/dbraw/zinc/05/84/42/619058442.db2.gz CNUVYHYODVINSK-WBVHZDCISA-N 1 0 277.408 3.384 20 10 CGCDRO CC[C@@H]([NH2+]CCN(CC)C(C)C)c1ccccc1O ZINC000775500287 619074848 /nfs/dbraw/zinc/07/48/48/619074848.db2.gz HUVVZDBWCMSESW-OAHLLOKOSA-N 1 0 264.413 3.163 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)[C@H]2CCCO2)cc1 ZINC000020208513 619116728 /nfs/dbraw/zinc/11/67/28/619116728.db2.gz ZMOOJRQWBDERIM-RHSMWYFYSA-N 1 0 276.424 3.190 20 10 CGCDRO COC1CCC([N@H+](C)Cc2ccc(N(C)C)cc2C)CC1 ZINC000840915116 619129017 /nfs/dbraw/zinc/12/90/17/619129017.db2.gz KHVOPSOQARNAFI-UHFFFAOYSA-N 1 0 290.451 3.450 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CCSC(F)(F)F)cc1 ZINC000194068570 619136590 /nfs/dbraw/zinc/13/65/90/619136590.db2.gz JQRRSPGBZTYCNH-UHFFFAOYSA-N 1 0 278.343 3.095 20 10 CGCDRO CCCN(Cc1cccc([N+](=O)[O-])c1)c1ccc(C[NH3+])cc1 ZINC000194978377 619144681 /nfs/dbraw/zinc/14/46/81/619144681.db2.gz DBAPAUKLEGPWTL-UHFFFAOYSA-N 1 0 299.374 3.470 20 10 CGCDRO CC(C)CC[N@H+](Cc1cc2c(cc1O)OCO2)C1CC1 ZINC000075582081 619174195 /nfs/dbraw/zinc/17/41/95/619174195.db2.gz SOIDQRFYMOTHTA-UHFFFAOYSA-N 1 0 277.364 3.131 20 10 CGCDRO C[C@@H]([NH2+]CCN1CCCC[C@H]1C)c1cc(F)ccc1O ZINC000248516829 619182852 /nfs/dbraw/zinc/18/28/52/619182852.db2.gz PBKXEQLHDNDKGO-CHWSQXEVSA-N 1 0 280.387 3.056 20 10 CGCDRO Cc1cc(Br)cc(C[N@H+]2CC[C@@H](C)C2)c1O ZINC000162816421 619204884 /nfs/dbraw/zinc/20/48/84/619204884.db2.gz ATPHXFCIQWFCIF-SECBINFHSA-N 1 0 284.197 3.305 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2COc3ccccc3C2)c(O)c1 ZINC000185224402 619222382 /nfs/dbraw/zinc/22/23/82/619222382.db2.gz GCZSZPPKHWWZCV-UKRRQHHQSA-N 1 0 283.371 3.355 20 10 CGCDRO CS[C@@H]1CC[C@H]([NH2+]Cc2ccc(N(C)C)cc2C)C1 ZINC000840935003 619226615 /nfs/dbraw/zinc/22/66/15/619226615.db2.gz BEDSSPBCFBVNHY-GOEBONIOSA-N 1 0 278.465 3.435 20 10 CGCDRO COc1cnccc1[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840938436 619228008 /nfs/dbraw/zinc/22/80/08/619228008.db2.gz DPXBCAPTAIUNBM-CQSZACIVSA-N 1 0 299.418 3.315 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@H+]1CCSCC[C@@H]1C ZINC000840941808 619234316 /nfs/dbraw/zinc/23/43/16/619234316.db2.gz MLBOQOGHDZNKRJ-AWEZNQCLSA-N 1 0 278.465 3.388 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)c1ccc(C)cc1O)[C@H]1CCCO1 ZINC000186182176 625733858 /nfs/dbraw/zinc/73/38/58/625733858.db2.gz KFYCRKZQIBCTBE-DUVNUKRYSA-N 1 0 263.381 3.309 20 10 CGCDRO CC(C)(C)C[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000066973247 619245526 /nfs/dbraw/zinc/24/55/26/619245526.db2.gz MHUJFCSHKXNJCF-UHFFFAOYSA-N 1 0 278.465 3.376 20 10 CGCDRO CC[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1cccc(Cl)c1[O-] ZINC000925804069 619255778 /nfs/dbraw/zinc/25/57/78/619255778.db2.gz YYIYQCDIVQSZQK-JMSVASOKSA-N 1 0 296.842 3.332 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2C[C@H](O)C[C@H]2c2ccccc2)cc1C ZINC000840957063 619270287 /nfs/dbraw/zinc/27/02/87/619270287.db2.gz IETOPSYYRYGCKG-MSOLQXFVSA-N 1 0 297.398 3.317 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CC(C)(C)OCC1CC1 ZINC000840960212 619278679 /nfs/dbraw/zinc/27/86/79/619278679.db2.gz GOJHWIPTJYNMDG-UHFFFAOYSA-N 1 0 290.451 3.356 20 10 CGCDRO CO[C@](C)([C@H](C)[NH2+]Cc1ccc(N(C)C)c(F)c1)C1CC1 ZINC000840961278 619281042 /nfs/dbraw/zinc/28/10/42/619281042.db2.gz UEOWMRTXGVHKEB-YVEFUNNKSA-N 1 0 294.414 3.185 20 10 CGCDRO CCSCC[NH2+][C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000840975154 619305361 /nfs/dbraw/zinc/30/53/61/619305361.db2.gz DFJHALZHIUYBIS-AWEZNQCLSA-N 1 0 280.481 3.335 20 10 CGCDRO CCCCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2O)C1(C)C ZINC000236851414 619306364 /nfs/dbraw/zinc/30/63/64/619306364.db2.gz XZQPNOPAPVMUNN-HZPDHXFCSA-N 1 0 277.408 3.466 20 10 CGCDRO C[C@H](CO)[NH2+]Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000237391699 619308269 /nfs/dbraw/zinc/30/82/69/619308269.db2.gz LCCHRWWHTKTNQX-GFCCVEGCSA-N 1 0 293.451 3.458 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CC[C@H](C3CCC3)C2)c(O)c1 ZINC000840976761 619308345 /nfs/dbraw/zinc/30/83/45/619308345.db2.gz FLDMPCNLWQSJFZ-AWEZNQCLSA-N 1 0 275.392 3.413 20 10 CGCDRO CCC[N@H+](Cc1ocnc1C)Cc1ccccc1O ZINC000893983956 619346804 /nfs/dbraw/zinc/34/68/04/619346804.db2.gz IKASHADJMTXNQW-UHFFFAOYSA-N 1 0 260.337 3.101 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)c(O)c1 ZINC000894184718 619407688 /nfs/dbraw/zinc/40/76/88/619407688.db2.gz DTDYSKYGCYIASG-DABQJJPHSA-N 1 0 261.365 3.069 20 10 CGCDRO Cc1ccc(C[NH2+]CC[C@]2(C)C[C@]2(F)Cl)c(O)c1 ZINC000877611667 619412842 /nfs/dbraw/zinc/41/28/42/619412842.db2.gz XFUIEEGEMSYRQE-ZIAGYGMSSA-N 1 0 271.763 3.495 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@H]2CCC[C@@H](SC)C2)c1O ZINC000894261082 619450736 /nfs/dbraw/zinc/45/07/36/619450736.db2.gz SQZTXXBDUAAWHU-UONOGXRCSA-N 1 0 295.448 3.473 20 10 CGCDRO COc1cc(C)cc(C[NH2+]CCSCC(C)C)c1O ZINC000894364519 619506535 /nfs/dbraw/zinc/50/65/35/619506535.db2.gz OCLAITMXVRUAMY-UHFFFAOYSA-N 1 0 283.437 3.188 20 10 CGCDRO COc1cc(C)cc(C[NH2+]C(C)(C)C2CCOCC2)c1O ZINC000894589009 619583630 /nfs/dbraw/zinc/58/36/30/619583630.db2.gz HBLVIRTWVSFSNI-UHFFFAOYSA-N 1 0 293.407 3.004 20 10 CGCDRO c1ccc2c(c1)ccnc2C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000067450753 619737817 /nfs/dbraw/zinc/73/78/17/619737817.db2.gz HBMGUYIEMQBAPZ-UHFFFAOYSA-N 1 0 290.366 3.460 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@@H]2CCCC[C@H]2SC)c1O ZINC000895133185 619746445 /nfs/dbraw/zinc/74/64/45/619746445.db2.gz DNLSUUOUEPBMFD-UKRRQHHQSA-N 1 0 295.448 3.473 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@](C)(O)c2ccsc2)c(O)c1 ZINC000185529461 625367853 /nfs/dbraw/zinc/36/78/53/625367853.db2.gz KGAMUYXZTGUOOT-BLLLJJGKSA-N 1 0 291.416 3.320 20 10 CGCDRO COc1cc(C)cc(C[NH2+]CC(C)(C)C(C)(F)F)c1O ZINC000895458184 619832807 /nfs/dbraw/zinc/83/28/07/619832807.db2.gz LVLQQISUKBACMO-UHFFFAOYSA-N 1 0 287.350 3.480 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]CC1(C)CC(F)(F)C1 ZINC000895531433 619842482 /nfs/dbraw/zinc/84/24/82/619842482.db2.gz HHZNYFAEGLABFU-UHFFFAOYSA-N 1 0 255.308 3.226 20 10 CGCDRO CCC[C@@H](C)CC[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000895996874 619922717 /nfs/dbraw/zinc/92/27/17/619922717.db2.gz DLKNCUAUHAMXIA-GFCCVEGCSA-N 1 0 281.396 3.325 20 10 CGCDRO Cc1cccc(CN[C@@H]2c3ccccc3OC[C@@H]2F)c1O ZINC000896423524 620007030 /nfs/dbraw/zinc/00/70/30/620007030.db2.gz UANPWFBEGTXOEM-GOEBONIOSA-N 1 0 287.334 3.262 20 10 CGCDRO Cc1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c(O)c1 ZINC000896509689 620015616 /nfs/dbraw/zinc/01/56/16/620015616.db2.gz HGIHZVUIFPOKCO-GFCCVEGCSA-N 1 0 286.331 3.460 20 10 CGCDRO COc1ccc(C[NH2+]Cc2ccccc2OC)cc1C ZINC000035052329 620264986 /nfs/dbraw/zinc/26/49/86/620264986.db2.gz IDUPJHIIAHFMQB-UHFFFAOYSA-N 1 0 271.360 3.302 20 10 CGCDRO CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])C1 ZINC000841743956 620345239 /nfs/dbraw/zinc/34/52/39/620345239.db2.gz DMJUEDDIKCGPQP-RYUDHWBXSA-N 1 0 282.815 3.038 20 10 CGCDRO C[N@H+](CCCc1ccccc1)Cc1cc2c(cc1O)OCO2 ZINC000054513271 620378258 /nfs/dbraw/zinc/37/82/58/620378258.db2.gz LHPYACIZQWGWQW-UHFFFAOYSA-N 1 0 299.370 3.186 20 10 CGCDRO CC[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1O)OC ZINC000841753008 620388360 /nfs/dbraw/zinc/38/83/60/620388360.db2.gz DLOSENKGTGNMJR-ONGXEEELSA-N 1 0 257.761 3.121 20 10 CGCDRO C[C@@H]([NH2+]CCC(=O)OC(C)(C)C)c1ccc(Cl)cc1O ZINC000841753568 620390109 /nfs/dbraw/zinc/39/01/09/620390109.db2.gz DYGANWHWYQLKEI-SNVBAGLBSA-N 1 0 299.798 3.428 20 10 CGCDRO C[C@H]([NH3+])c1ccc(NCc2ccc(N(C)C)cc2)cc1 ZINC000841029116 620407305 /nfs/dbraw/zinc/40/73/05/620407305.db2.gz SSUXEDMZNFQVDP-ZDUSSCGKSA-N 1 0 269.392 3.384 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2C[C@H]3CCC[C@H]32)c1O ZINC000897955469 620455167 /nfs/dbraw/zinc/45/51/67/620455167.db2.gz VAOAIZDLBPFRQG-OASPWFOLSA-N 1 0 281.783 3.332 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H](C)Cc2cccnc2)cc1Cl ZINC000897967469 620458578 /nfs/dbraw/zinc/45/85/78/620458578.db2.gz QTQUMXYONVRUIW-LBPRGKRZSA-N 1 0 290.794 3.470 20 10 CGCDRO COc1cc(C)cc(C[NH2+]C[C@@H]2CCCC(C)(C)O2)c1O ZINC000898045982 620463483 /nfs/dbraw/zinc/46/34/83/620463483.db2.gz AASBGFFEOBLZNM-AWEZNQCLSA-N 1 0 293.407 3.147 20 10 CGCDRO Cc1nc2ccccn2c1C[NH2+]Cc1cc(C)c(C)cc1O ZINC000898276841 620503020 /nfs/dbraw/zinc/50/30/20/620503020.db2.gz UBDLAKZGYAXAQY-UHFFFAOYSA-N 1 0 295.386 3.255 20 10 CGCDRO CN(C)c1ccc([C@@H](N)C[NH2+]CCC2CCCCC2)cc1 ZINC000841040865 620519728 /nfs/dbraw/zinc/51/97/28/620519728.db2.gz AQRLVAQAMUFYMD-SFHVURJKSA-N 1 0 289.467 3.312 20 10 CGCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000265162720 620525131 /nfs/dbraw/zinc/52/51/31/620525131.db2.gz GHIQOUYIPSILLY-LMMKCTJWSA-N 1 0 295.382 3.469 20 10 CGCDRO C[C@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)C1CCCCC1 ZINC000841042710 620537702 /nfs/dbraw/zinc/53/77/02/620537702.db2.gz MMORAUYPZUWQEX-KSSFIOAISA-N 1 0 289.467 3.311 20 10 CGCDRO CNc1ccccc1C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000902134845 621151690 /nfs/dbraw/zinc/15/16/90/621151690.db2.gz LRWJWYIYTQHMDB-UHFFFAOYSA-N 1 0 287.382 3.223 20 10 CGCDRO C[C@H]([NH2+]CC1(C2(O)CCC2)CC1)c1cc(Cl)ccc1O ZINC000903258160 621644990 /nfs/dbraw/zinc/64/49/90/621644990.db2.gz QTYMXSJFIAAYBR-NSHDSACASA-N 1 0 295.810 3.391 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C2CC3(C2)CO[C@@H](C)C3)c(O)c1 ZINC000903284653 621651502 /nfs/dbraw/zinc/65/15/02/621651502.db2.gz XKUCIFSRJFZPHP-YRFCHQJDSA-N 1 0 275.392 3.309 20 10 CGCDRO CC1(C)CC2(CC([NH2+][C@@H]3CCc4cccc(O)c43)C2)CO1 ZINC000903322161 621676016 /nfs/dbraw/zinc/67/60/16/621676016.db2.gz ABJHFQFABADVPP-TXKKKEFDSA-N 1 0 287.403 3.317 20 10 CGCDRO Cc1cc(CO)cc(C)c1C[NH2+][C@H](C)c1ccccc1O ZINC000903309000 621681875 /nfs/dbraw/zinc/68/18/75/621681875.db2.gz SURMBNHHWUQPCI-CQSZACIVSA-N 1 0 285.387 3.352 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@]1(OC)CCSC1)c1ccc(C)cc1O ZINC000903315672 621686575 /nfs/dbraw/zinc/68/65/75/621686575.db2.gz XXUMZVYFLZGIPG-ZBFHGGJFSA-N 1 0 295.448 3.263 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc3nonc3c2)c1 ZINC000903326431 621700469 /nfs/dbraw/zinc/70/04/69/621700469.db2.gz PVYGPGCKQCAKJH-LLVKDONJSA-N 1 0 283.331 3.088 20 10 CGCDRO CC1(C)CCC[C@H](C[NH2+][C@@H]2CCc3cccc(O)c32)O1 ZINC000903356100 621713123 /nfs/dbraw/zinc/71/31/23/621713123.db2.gz OUDGEHWCUYQUAA-ZIAGYGMSSA-N 1 0 275.392 3.317 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(CCO)cc2)c1 ZINC000903403726 621740637 /nfs/dbraw/zinc/74/06/37/621740637.db2.gz UJLXJKYOWOMQMU-CQSZACIVSA-N 1 0 285.387 3.086 20 10 CGCDRO CCCC[C@H](CC)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000042879429 621886350 /nfs/dbraw/zinc/88/63/50/621886350.db2.gz KNYMSXYQMNCOKW-LBPRGKRZSA-N 1 0 279.380 3.427 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCSC(C)(C)C2)cc1F ZINC000769448515 625570926 /nfs/dbraw/zinc/57/09/26/625570926.db2.gz TYWKTZAKWGZHRU-UHFFFAOYSA-N 1 0 282.428 3.219 20 10 CGCDRO C[C@H]([NH2+]C1CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000151221737 622752944 /nfs/dbraw/zinc/75/29/44/622752944.db2.gz YVLJTEJMEOEWJI-AWEZNQCLSA-N 1 0 274.408 3.116 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1C[C@H](C)N(C2CC2)C1)c1ccccc1O ZINC000156295174 622793026 /nfs/dbraw/zinc/79/30/26/622793026.db2.gz HYRHGJIZRNXYJT-ZENOOKHLSA-N 1 0 274.408 3.058 20 10 CGCDRO CC[C@H]1CCC[N@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000164008490 622810368 /nfs/dbraw/zinc/81/03/68/622810368.db2.gz QJCWXUGXRNUZPD-ZDUSSCGKSA-N 1 0 263.381 3.331 20 10 CGCDRO COc1cc(C)cc(C[NH+]2C[C@H]3CCCC[C@@H]3C2)c1O ZINC000164465309 622836054 /nfs/dbraw/zinc/83/60/54/622836054.db2.gz BPZOMJMJJOVCAW-ZIAGYGMSSA-N 1 0 275.392 3.331 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCCCn2ccnc2)c1 ZINC000045105876 622842842 /nfs/dbraw/zinc/84/28/42/622842842.db2.gz ZPKDRQHYMJDHHW-CQSZACIVSA-N 1 0 273.380 3.028 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCOCCC(C)C)c(O)c1 ZINC000045093975 622843907 /nfs/dbraw/zinc/84/39/07/622843907.db2.gz WZPIZRPXZVCILP-CQSZACIVSA-N 1 0 265.397 3.414 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCOCCC(C)C)c1 ZINC000045093885 622843933 /nfs/dbraw/zinc/84/39/33/622843933.db2.gz DJQPYNQUBXSDSP-CYBMUJFWSA-N 1 0 281.396 3.114 20 10 CGCDRO CC[C@H]([NH2+]CCOCCC(C)C)c1ccccc1O ZINC000045093854 622843964 /nfs/dbraw/zinc/84/39/64/622843964.db2.gz NDUZASZYSIBHKS-HNNXBMFYSA-N 1 0 265.397 3.496 20 10 CGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cccnc1C ZINC000156848617 622847799 /nfs/dbraw/zinc/84/77/99/622847799.db2.gz WWDMTCHSLLNNOK-UHFFFAOYSA-N 1 0 283.419 3.478 20 10 CGCDRO CC[C@@H]([NH2+]C1CCN(c2ccc(OC)cc2)CC1)C1CC1 ZINC000157446079 622906509 /nfs/dbraw/zinc/90/65/09/622906509.db2.gz DOAHIGGRXQANEQ-GOSISDBHSA-N 1 0 288.435 3.442 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCSC2)c1 ZINC000228554673 623061996 /nfs/dbraw/zinc/06/19/96/623061996.db2.gz SRLJONFYARQJPZ-VXGBXAGGSA-N 1 0 251.395 3.104 20 10 CGCDRO CC(C)(C)[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000230392985 623236482 /nfs/dbraw/zinc/23/64/82/623236482.db2.gz GLUUUQJVHOEVDN-GFCCVEGCSA-N 1 0 251.345 3.399 20 10 CGCDRO CCOc1cccc(C[NH2+]C[C@H]2CCC[C@@H]2C)c1O ZINC000230665823 623258266 /nfs/dbraw/zinc/25/82/66/623258266.db2.gz IKIIQDCQUJYNAY-QWHCGFSZSA-N 1 0 263.381 3.317 20 10 CGCDRO CS[C@@H]1CC[C@H]([NH2+][C@@H](C)c2cc(F)ccc2O)C1 ZINC000230664571 623261948 /nfs/dbraw/zinc/26/19/48/623261948.db2.gz IYBCTDWFTVYMLI-ZMLRMANQSA-N 1 0 269.385 3.466 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CC(C)C)cc1F ZINC000062734115 623262243 /nfs/dbraw/zinc/26/22/43/623262243.db2.gz CTNMHGPXQMBBCL-UHFFFAOYSA-N 1 0 252.377 3.418 20 10 CGCDRO CS[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000230698606 623263201 /nfs/dbraw/zinc/26/32/01/623263201.db2.gz FFLGAYRLQSBMQM-NWDGAFQWSA-N 1 0 271.813 3.419 20 10 CGCDRO CS[C@H]1CC[C@H]([NH2+]Cc2c(O)cccc2Cl)C1 ZINC000230698222 623263327 /nfs/dbraw/zinc/26/33/27/623263327.db2.gz RGJOXXVEZKFGQY-UWVGGRQHSA-N 1 0 271.813 3.419 20 10 CGCDRO C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1ccc(F)cc1[O-] ZINC000062744822 623265288 /nfs/dbraw/zinc/26/52/88/623265288.db2.gz BSCLTWUKIRCTAH-KGLIPLIRSA-N 1 0 294.414 3.446 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCC(F)(F)F)c1 ZINC000063098747 623296947 /nfs/dbraw/zinc/29/69/47/623296947.db2.gz WNLMFMKFLIYTCO-QMMMGPOBSA-N 1 0 263.259 3.004 20 10 CGCDRO Cc1ccc([C@H](O)C[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC000921578995 625685144 /nfs/dbraw/zinc/68/51/44/625685144.db2.gz NUWGKQNUJPOBPC-GOSISDBHSA-N 1 0 297.398 3.143 20 10 CGCDRO Cc1cccc(C[N@@H+](C)Cc2cc3c(cc2O)OCO3)c1 ZINC000917482650 624273626 /nfs/dbraw/zinc/27/36/26/624273626.db2.gz LJJWPXUNBQAVSQ-UHFFFAOYSA-N 1 0 285.343 3.061 20 10 CGCDRO CO[C@H](C[NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(C)(C)C ZINC000154923504 624393060 /nfs/dbraw/zinc/39/30/60/624393060.db2.gz IIOARTUFGGKGGM-XJKSGUPXSA-N 1 0 278.440 3.464 20 10 CGCDRO COc1ccccc1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921469888 624592531 /nfs/dbraw/zinc/59/25/31/624592531.db2.gz QQQMDOSJWCRPFC-UHFFFAOYSA-N 1 0 283.371 3.310 20 10 CGCDRO Cc1cccc(C[N@@H+](C)[C@@H](C)Cc2ccc(O)cc2)c1O ZINC000180192538 624725589 /nfs/dbraw/zinc/72/55/89/624725589.db2.gz LFFCGKCXNOIMJJ-AWEZNQCLSA-N 1 0 285.387 3.469 20 10 CGCDRO CC1([NH2+]Cc2cc(F)ccc2O)Cc2ccccc2C1 ZINC000180879786 624780423 /nfs/dbraw/zinc/78/04/23/624780423.db2.gz VGUMIDGEQXDRLU-UHFFFAOYSA-N 1 0 271.335 3.178 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@H]2C[C@H](C)C[C@H](C)C2)c1 ZINC000252157447 624878610 /nfs/dbraw/zinc/87/86/10/624878610.db2.gz PIJLBBMPLVOXIG-IMRBUKKESA-N 1 0 263.381 3.315 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]Cc2ccccc2)c1O ZINC000076274229 625209157 /nfs/dbraw/zinc/20/91/57/625209157.db2.gz RGEDTWIWFIBCOZ-UHFFFAOYSA-N 1 0 277.751 3.344 20 10 CGCDRO COc1cc(Cl)cc(C[N@H+]2[C@H](C)CC[C@@H]2C)c1O ZINC000184702599 625262850 /nfs/dbraw/zinc/26/28/50/625262850.db2.gz BZWNEMNEPXHIAB-AOOOYVTPSA-N 1 0 269.772 3.427 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cncc(C)c1)c1ccccc1O ZINC000186303734 625783177 /nfs/dbraw/zinc/78/31/77/625783177.db2.gz ZDBQAACSIJSWJI-OAHLLOKOSA-N 1 0 256.349 3.337 20 10 CGCDRO CC[C@H]([NH2+]Cc1cncc(C)c1)c1ccccc1O ZINC000186303714 625783933 /nfs/dbraw/zinc/78/39/33/625783933.db2.gz ZDBQAACSIJSWJI-HNNXBMFYSA-N 1 0 256.349 3.337 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(C#N)cc2C)c1 ZINC000186321905 625786764 /nfs/dbraw/zinc/78/67/64/625786764.db2.gz GEBJYLSDFGMYDL-ZDUSSCGKSA-N 1 0 296.370 3.432 20 10 CGCDRO COc1ccc(C[NH2+]Cc2cccc3c2OCC3)cc1C ZINC000921648669 625805011 /nfs/dbraw/zinc/80/50/11/625805011.db2.gz BBIYGDLQJNJAOW-UHFFFAOYSA-N 1 0 283.371 3.228 20 10 CGCDRO C[C@@H](O)[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1ccccc1 ZINC000922267934 625992323 /nfs/dbraw/zinc/99/23/23/625992323.db2.gz QLFFYONGSSLVLG-KUHUBIRLSA-N 1 0 297.398 3.223 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1)c1ccccc1O ZINC000922328876 625998387 /nfs/dbraw/zinc/99/83/87/625998387.db2.gz HNEBZPGFDQGCJZ-APIJFGDWSA-N 1 0 275.392 3.248 20 10 CGCDRO c1cc2c(cc1C[NH2+]C[C@@H]1CCC3(CCC3)O1)CCCO2 ZINC000922335788 625999629 /nfs/dbraw/zinc/99/96/29/625999629.db2.gz URCLVXMTPIKUCN-INIZCTEOSA-N 1 0 287.403 3.203 20 10 CGCDRO COC(C)(C)[C@@H](C)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000922580021 626014922 /nfs/dbraw/zinc/01/49/22/626014922.db2.gz BFFZKUUEEUDUDU-HSBSLETESA-N 1 0 276.424 3.169 20 10 CGCDRO c1cc(C[NH2+]C[C@@H]2CCCC3(CCC3)O2)cc2c1OCC2 ZINC000922812539 626048165 /nfs/dbraw/zinc/04/81/65/626048165.db2.gz NUYPCWBBYLRRHH-INIZCTEOSA-N 1 0 287.403 3.203 20 10 CGCDRO Oc1ccccc1C[NH2+][C@H]1CCSC2(CCC2)C1 ZINC000922845005 626058371 /nfs/dbraw/zinc/05/83/71/626058371.db2.gz JVBIRKLCDFTFFU-ZDUSSCGKSA-N 1 0 263.406 3.300 20 10 CGCDRO CCC(CC)(CC)[NH2+]Cc1cc(OC)ccc1O ZINC000086642097 626080572 /nfs/dbraw/zinc/08/05/72/626080572.db2.gz NUWJYDWHLSVHJW-UHFFFAOYSA-N 1 0 251.370 3.459 20 10 CGCDRO CC1(C)C[C@H](C[NH2+]Cc2cc(F)cc(F)c2[O-])C(C)(C)O1 ZINC000922949487 626106030 /nfs/dbraw/zinc/10/60/30/626106030.db2.gz ZWKVVWWSEQRPHI-LLVKDONJSA-N 1 0 299.361 3.354 20 10 CGCDRO C[C@H]([NH2+]CC1(O)CCC(C)CC1)c1ccc(N(C)C)cc1 ZINC000087044033 626164999 /nfs/dbraw/zinc/16/49/99/626164999.db2.gz OHOZRGOKETVISE-CSLYMUCUSA-N 1 0 290.451 3.344 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)c1 ZINC000020092386 634482509 /nfs/dbraw/zinc/48/25/09/634482509.db2.gz FAKCQOFIIMTOPJ-SLEUVZQESA-N 1 0 263.381 3.315 20 10 CGCDRO COc1cccc(O)c1C[NH+]1CC(C2CCCCC2)C1 ZINC000839136107 626322518 /nfs/dbraw/zinc/32/25/18/626322518.db2.gz LWXBIPJSCFIQQU-UHFFFAOYSA-N 1 0 275.392 3.413 20 10 CGCDRO CCN(CC)c1ccc(C[NH+]2CC(C)(CCOC)C2)cc1 ZINC000839142548 626323049 /nfs/dbraw/zinc/32/30/49/626323049.db2.gz IJDLPZROELUMBB-UHFFFAOYSA-N 1 0 290.451 3.391 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]C1CCC(C(F)F)CC1 ZINC000839180451 626326522 /nfs/dbraw/zinc/32/65/22/626326522.db2.gz VLUUKPBZTAUPPJ-UHFFFAOYSA-N 1 0 273.298 3.445 20 10 CGCDRO COc1ccc(O)c(C[N@H+](C)C[C@@H]2CC=CCC2)c1 ZINC000753574211 626456015 /nfs/dbraw/zinc/45/60/15/626456015.db2.gz APOKXDQNIUCCPT-CYBMUJFWSA-N 1 0 261.365 3.189 20 10 CGCDRO COc1ccc2c(c1)CC[C@H]([NH2+]Cc1cccc(C)c1O)C2 ZINC000753577207 626456454 /nfs/dbraw/zinc/45/64/54/626456454.db2.gz YQROENSYHZINMD-KRWDZBQOSA-N 1 0 297.398 3.356 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@@H](n3ccnc3)C2)c1 ZINC000754732906 626585468 /nfs/dbraw/zinc/58/54/68/626585468.db2.gz WNMCPFJICHKGIB-MRXNPFEDSA-N 1 0 285.391 3.043 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CCCCC[C@H]2C)c1O ZINC000754741746 626585808 /nfs/dbraw/zinc/58/58/08/626585808.db2.gz NDBSBMRABNOBHD-CYBMUJFWSA-N 1 0 263.381 3.474 20 10 CGCDRO CC(C)OCCC[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756352684 626695172 /nfs/dbraw/zinc/69/51/72/626695172.db2.gz WDDSYKQPYUGFGZ-DGCLKSJQSA-N 1 0 281.371 3.484 20 10 CGCDRO CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756398285 626701653 /nfs/dbraw/zinc/70/16/53/626701653.db2.gz UIBCHLMAXKHVFU-NSHDSACASA-N 1 0 286.366 3.051 20 10 CGCDRO C[C@@H]([NH2+]C[C@H](C1CC1)N(C)C)c1cc(Cl)ccc1O ZINC000756434826 626705762 /nfs/dbraw/zinc/70/57/62/626705762.db2.gz ZWSMAQQXWWIHQP-QMTHXVAHSA-N 1 0 282.815 3.036 20 10 CGCDRO CC(C)C[C@@H](O)C[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000756498733 626710121 /nfs/dbraw/zinc/71/01/21/626710121.db2.gz WWDJVQLRIXOVIX-CZUORRHYSA-N 1 0 291.435 3.329 20 10 CGCDRO Cc1cc(C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)on1 ZINC000756542508 626713660 /nfs/dbraw/zinc/71/36/60/626713660.db2.gz AUIWMTDIRDMHQG-QPUJVOFHSA-N 1 0 276.311 3.166 20 10 CGCDRO CCc1cc(C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)[nH]n1 ZINC000756570406 626716385 /nfs/dbraw/zinc/71/63/85/626716385.db2.gz BKPRFPWZGGSKRX-ZANVPECISA-N 1 0 289.354 3.155 20 10 CGCDRO CO[C@@H](C[NH2+][C@@H](C)c1cc(Cl)ccc1O)C(C)C ZINC000756628903 626722188 /nfs/dbraw/zinc/72/21/88/626722188.db2.gz YRASXUKXOYDVNX-HZMBPMFUSA-N 1 0 271.788 3.367 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CC[C@@H](CO)CC2)c(O)c1C ZINC000756648857 626724046 /nfs/dbraw/zinc/72/40/46/626724046.db2.gz ZJFHDZWNAPRLMN-KFWWJZLASA-N 1 0 277.408 3.211 20 10 CGCDRO C[C@H]([NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F)C1CCOCC1 ZINC000756656375 626725245 /nfs/dbraw/zinc/72/52/45/626725245.db2.gz WQHSSSVVCJGJAE-UHIISALHSA-N 1 0 293.382 3.484 20 10 CGCDRO C[C@@H]([NH2+][C@@H](CO)CC1CC1)c1ccc2ccccc2c1O ZINC000756770630 626730758 /nfs/dbraw/zinc/73/07/58/626730758.db2.gz YSVZKQCODLHEMR-IUODEOHRSA-N 1 0 285.387 3.357 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(F)n2)c(O)c1C ZINC000756769259 626730850 /nfs/dbraw/zinc/73/08/50/626730850.db2.gz PHLVMRBIJPPWTH-GFCCVEGCSA-N 1 0 274.339 3.394 20 10 CGCDRO CO[C@](C)([C@@H](C)[NH2+]Cc1ccc(N(C)C)c(C)c1)C1CC1 ZINC000839643748 626774314 /nfs/dbraw/zinc/77/43/14/626774314.db2.gz SIFYYNWYOVPJTP-RDTXWAMCSA-N 1 0 290.451 3.354 20 10 CGCDRO COc1ccc(N2CCC([NH2+]C3CC(F)(F)C3)CC2)cc1 ZINC000760040591 626937898 /nfs/dbraw/zinc/93/78/98/626937898.db2.gz SUGOMOKXBVDQBB-UHFFFAOYSA-N 1 0 296.361 3.051 20 10 CGCDRO CCC[N@H+](CCN1CCCC1)Cc1ccc(N(C)C)cc1 ZINC000760818459 626994286 /nfs/dbraw/zinc/99/42/86/626994286.db2.gz DYXMOESDCZEALZ-UHFFFAOYSA-N 1 0 289.467 3.060 20 10 CGCDRO CCOc1ccc(O)c(C[N@H+](CC)CCC2CC2)c1 ZINC000761225258 627027424 /nfs/dbraw/zinc/02/74/24/627027424.db2.gz AVHCVWYXXYJGIU-UHFFFAOYSA-N 1 0 263.381 3.413 20 10 CGCDRO Oc1ccc2ccncc2c1C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000763332556 627151869 /nfs/dbraw/zinc/15/18/69/627151869.db2.gz MLMXISHHQADGSH-AWEZNQCLSA-N 1 0 268.360 3.172 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCN2CCCCC2)cc1 ZINC000764810150 627225820 /nfs/dbraw/zinc/22/58/20/627225820.db2.gz NRVOLZIVCPNOSH-INIZCTEOSA-N 1 0 289.467 3.279 20 10 CGCDRO CCC1(CC)[C@@H]([NH2+]Cc2cc(C)ccc2O)C[C@@H]1OC ZINC000765262523 627244031 /nfs/dbraw/zinc/24/40/31/627244031.db2.gz QKXRUNDSPKCTOJ-HOTGVXAUSA-N 1 0 277.408 3.384 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](C)Cc2cnccn2)cc1 ZINC000765442369 627249911 /nfs/dbraw/zinc/24/99/11/627249911.db2.gz UOHDDNWSIDPJPQ-LSDHHAIUSA-N 1 0 298.434 3.215 20 10 CGCDRO COc1ccc(C[NH2+]C[C@H]2CCCCN2C2CC2)cc1C ZINC000766225321 627305339 /nfs/dbraw/zinc/30/53/39/627305339.db2.gz NJZZQJNFWPRMFZ-QGZVFWFLSA-N 1 0 288.435 3.110 20 10 CGCDRO CC[C@@H]([NH2+]CCN1CCC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000766274894 627311635 /nfs/dbraw/zinc/31/16/35/627311635.db2.gz WTRYBUBVTCUAJH-MAUKXSAKSA-N 1 0 289.467 3.278 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCN2CC[C@@H](C)C2)cc1 ZINC000766379989 627325144 /nfs/dbraw/zinc/32/51/44/627325144.db2.gz BCKZWDSLTQUSTO-HZPDHXFCSA-N 1 0 289.467 3.135 20 10 CGCDRO Oc1cc2c(cc1C[NH2+]CCC1=CCCCCC1)OCO2 ZINC000766471765 627335097 /nfs/dbraw/zinc/33/50/97/627335097.db2.gz ZLYMKLFOOAAQAL-UHFFFAOYSA-N 1 0 289.375 3.491 20 10 CGCDRO CCOc1ccc(C[NH2+][C@@H](C)CC(F)(F)F)c(O)c1 ZINC000766479607 627335550 /nfs/dbraw/zinc/33/55/50/627335550.db2.gz OKDCFGXQCDUSGO-VIFPVBQESA-N 1 0 277.286 3.221 20 10 CGCDRO CC(C)C[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000767370956 627402644 /nfs/dbraw/zinc/40/26/44/627402644.db2.gz HLVDQYHHXJRCGA-HNNXBMFYSA-N 1 0 296.842 3.256 20 10 CGCDRO Cc1cc(O)c(C[N@H+](C)CCOC(C)(C)C)cc1C ZINC000767772893 627436307 /nfs/dbraw/zinc/43/63/07/627436307.db2.gz BWJXGBGORLECRJ-UHFFFAOYSA-N 1 0 265.397 3.256 20 10 CGCDRO CN(C)c1ccc(C[NH+]2CCCCCC2)cc1F ZINC000768138484 627462909 /nfs/dbraw/zinc/46/29/09/627462909.db2.gz LXHZRGPYJUTNAM-UHFFFAOYSA-N 1 0 250.361 3.268 20 10 CGCDRO CCCN(CCC)c1ccc(C[N@@H+]2CCC[C@@H](O)C2)cc1 ZINC000768140128 627462949 /nfs/dbraw/zinc/46/29/49/627462949.db2.gz CBOQAJCZKRBCJM-GOSISDBHSA-N 1 0 290.451 3.270 20 10 CGCDRO CC(C)[C@@H](C)[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000768269970 627471626 /nfs/dbraw/zinc/47/16/26/627471626.db2.gz SZUQTGILGWUHKJ-GFCCVEGCSA-N 1 0 252.377 3.368 20 10 CGCDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1cc(OC)c(C)cc1O ZINC000768466422 627481315 /nfs/dbraw/zinc/48/13/15/627481315.db2.gz QGUBITNGZUCIDG-BXUZGUMPSA-N 1 0 263.381 3.330 20 10 CGCDRO CC[C@H](C)C[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000768767214 627496971 /nfs/dbraw/zinc/49/69/71/627496971.db2.gz MBDPSZVDSXTDED-LBPRGKRZSA-N 1 0 252.377 3.370 20 10 CGCDRO Cc1cc([C@@H]2CCC[N@H+]2Cc2ccc(N(C)C)cc2)on1 ZINC000768878519 627505682 /nfs/dbraw/zinc/50/56/82/627505682.db2.gz QEOGLBYGNYXHJS-INIZCTEOSA-N 1 0 285.391 3.386 20 10 CGCDRO CCOc1ccc(C[NH+]2C[C@@H](C)S[C@H](C)C2)c(O)c1 ZINC000769142784 627525201 /nfs/dbraw/zinc/52/52/01/627525201.db2.gz ZUVSQOXTKZYWIL-VXGBXAGGSA-N 1 0 281.421 3.117 20 10 CGCDRO CC(C)(C)[C@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000769319723 627540845 /nfs/dbraw/zinc/54/08/45/627540845.db2.gz YDCXFTCTTTVITO-OAHLLOKOSA-N 1 0 277.364 3.131 20 10 CGCDRO COC[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000769403866 627549528 /nfs/dbraw/zinc/54/95/28/627549528.db2.gz YASDSQFHYWTFJO-KRWDZBQOSA-N 1 0 288.435 3.145 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000770371557 627615558 /nfs/dbraw/zinc/61/55/58/627615558.db2.gz AUSIVVABFPUVCE-DLBZAZTESA-N 1 0 288.435 3.001 20 10 CGCDRO COc1ccc(N2CC[NH+]([C@@H](C)CC(C)C)CC2)cc1F ZINC000770504286 627623531 /nfs/dbraw/zinc/62/35/31/627623531.db2.gz CJIGPYXOLJAWMD-AWEZNQCLSA-N 1 0 294.414 3.391 20 10 CGCDRO Cc1ccncc1[C@@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000770749165 627642220 /nfs/dbraw/zinc/64/22/20/627642220.db2.gz ICKIIEZFGXYWFU-CYBMUJFWSA-N 1 0 268.360 3.176 20 10 CGCDRO CCC1(O)CCC([NH2+]Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000771875768 627738340 /nfs/dbraw/zinc/73/83/40/627738340.db2.gz RTDPDWFXFZEPEB-UHFFFAOYSA-N 1 0 294.414 3.065 20 10 CGCDRO CCN(C)c1ccc(C[N@H+](C)Cc2ccccc2O)cc1 ZINC000773774876 627914698 /nfs/dbraw/zinc/91/46/98/627914698.db2.gz VBBWQGCIKJHPRB-UHFFFAOYSA-N 1 0 284.403 3.480 20 10 CGCDRO CCN(C)c1ccc(C[N@H+](C)[C@H]2CCSC2)cc1 ZINC000773807388 627916960 /nfs/dbraw/zinc/91/69/60/627916960.db2.gz XWUYCOWHBZGVMH-HNNXBMFYSA-N 1 0 264.438 3.080 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@H](C(F)F)C2)cc1 ZINC000773827152 627917180 /nfs/dbraw/zinc/91/71/80/627917180.db2.gz VXBQGDHWAZFAHX-ZDUSSCGKSA-N 1 0 268.351 3.230 20 10 CGCDRO CCN(C)c1ccc(C[NH2+][C@H]2Cc3cccc(O)c3C2)cc1 ZINC000773887837 627924777 /nfs/dbraw/zinc/92/47/77/627924777.db2.gz IPNHFXRCXGLRQN-INIZCTEOSA-N 1 0 296.414 3.105 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCN2CCCC(C)(C)C2)c1 ZINC000774487829 627997759 /nfs/dbraw/zinc/99/77/59/627997759.db2.gz NHCNOMJLNZYUGH-OAHLLOKOSA-N 1 0 290.451 3.473 20 10 CGCDRO COC1(C)CC[NH+](Cc2cc3c(cc2O)CCCC3)CC1 ZINC000774640882 628011160 /nfs/dbraw/zinc/01/11/60/628011160.db2.gz WIWGTBXUNXJRGH-UHFFFAOYSA-N 1 0 289.419 3.272 20 10 CGCDRO Cc1cccc(C[NH2+][C@H]2CCc3cc(O)ccc3C2)c1O ZINC000775178282 628070118 /nfs/dbraw/zinc/07/01/18/628070118.db2.gz VKQLEDVLVHJNIC-INIZCTEOSA-N 1 0 283.371 3.053 20 10 CGCDRO COCc1ccc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)o1 ZINC000775363231 628086239 /nfs/dbraw/zinc/08/62/39/628086239.db2.gz LTBUQTQOLMNEGD-ZDUSSCGKSA-N 1 0 288.391 3.343 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](C)N(C)C)c1cc(Cl)ccc1O ZINC000775499358 628101304 /nfs/dbraw/zinc/10/13/04/628101304.db2.gz RDYFMMBAQQAZCG-MFKMUULPSA-N 1 0 270.804 3.036 20 10 CGCDRO CC[C@@H]([NH2+][C@H](CO)CC1CC1)c1cc(Cl)ccc1O ZINC000775523560 628103157 /nfs/dbraw/zinc/10/31/57/628103157.db2.gz LADRFPMWCVBFLV-GXTWGEPZSA-N 1 0 283.799 3.247 20 10 CGCDRO CC[C@H]([NH2+][C@@H](CO)c1ccsc1)c1ccccc1O ZINC000775553334 628105822 /nfs/dbraw/zinc/10/58/22/628105822.db2.gz ASGJHSDUCYYRLD-KBPBESRZSA-N 1 0 277.389 3.228 20 10 CGCDRO COc1ccc(O)c(C[N@H+](C)Cc2cccc(C)c2)c1 ZINC000775649316 628119168 /nfs/dbraw/zinc/11/91/68/628119168.db2.gz ODODFLTXCLBBMG-UHFFFAOYSA-N 1 0 271.360 3.341 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+][C@H](C)CN2CCCCC2)c1O ZINC000775971726 628153844 /nfs/dbraw/zinc/15/38/44/628153844.db2.gz LATAKJCZZOPTAF-CYBMUJFWSA-N 1 0 296.842 3.318 20 10 CGCDRO Oc1ccccc1C[N@H+](CCCn1ccnc1)C1CCCC1 ZINC000775971069 628154302 /nfs/dbraw/zinc/15/43/02/628154302.db2.gz GAIDTHOEGUZRPU-UHFFFAOYSA-N 1 0 299.418 3.424 20 10 CGCDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)cc2C)C1(C)C ZINC000776159657 628172381 /nfs/dbraw/zinc/17/23/81/628172381.db2.gz YUOJANJHGARBIX-SJORKVTESA-N 1 0 290.451 3.354 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]Cc1ccc(Cl)cn1 ZINC000776254485 628185339 /nfs/dbraw/zinc/18/53/39/628185339.db2.gz HALQPGONRLMHDQ-UHFFFAOYSA-N 1 0 283.158 3.384 20 10 CGCDRO CC(C)C[C@H]1C[C@@H]([NH2+]Cc2ccccc2O)CCO1 ZINC000776950432 628240896 /nfs/dbraw/zinc/24/08/96/628240896.db2.gz BGTBZZRZABFEDP-GJZGRUSLSA-N 1 0 263.381 3.076 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@H]1C1CCOCC1 ZINC000777439898 628270177 /nfs/dbraw/zinc/27/01/77/628270177.db2.gz QIYJIKRQKOQHSO-HNNXBMFYSA-N 1 0 295.810 3.437 20 10 CGCDRO CC[N@H+](Cc1ccc(CO)cc1)Cc1ccc(N(C)C)cc1 ZINC000778933318 628378490 /nfs/dbraw/zinc/37/84/90/628378490.db2.gz IWNLXSZBWMCALX-UHFFFAOYSA-N 1 0 298.430 3.267 20 10 CGCDRO Cc1ccncc1[C@H](C)[NH2+]Cc1cc(F)ccc1O ZINC000779105726 628389099 /nfs/dbraw/zinc/38/90/99/628389099.db2.gz DHWLNPZWKWISPZ-NSHDSACASA-N 1 0 260.312 3.086 20 10 CGCDRO CCCCn1cc(C[NH2+]Cc2cc(F)ccc2O)c(C)n1 ZINC000779106134 628389114 /nfs/dbraw/zinc/38/91/14/628389114.db2.gz GYAPUHNSLCOPJD-UHFFFAOYSA-N 1 0 291.370 3.126 20 10 CGCDRO C[C@H](CCO)[NH2+]Cc1ccc(N(C)C2CCCCC2)cc1 ZINC000779340280 628408799 /nfs/dbraw/zinc/40/87/99/628408799.db2.gz ICOODSOHRKHJMC-OAHLLOKOSA-N 1 0 290.451 3.316 20 10 CGCDRO COc1ccc(C[NH2+][C@H](C)c2ccncc2OC)cc1C ZINC000782546287 628653805 /nfs/dbraw/zinc/65/38/05/628653805.db2.gz YICQSSZGXDBSGR-CYBMUJFWSA-N 1 0 286.375 3.258 20 10 CGCDRO COC[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)C1CCCC1 ZINC000783233139 628691961 /nfs/dbraw/zinc/69/19/61/628691961.db2.gz ZMDHZFUPRJJVBS-INIZCTEOSA-N 1 0 294.414 3.187 20 10 CGCDRO C[C@H]([NH2+]CCN1Cc2ccccc2C1)c1ccccc1O ZINC000783503854 628718650 /nfs/dbraw/zinc/71/86/50/628718650.db2.gz ZVGQEVVRJREJNQ-AWEZNQCLSA-N 1 0 282.387 3.059 20 10 CGCDRO C[N@H+](CCc1cccc(F)c1F)Cc1ccccc1O ZINC000784179380 628791321 /nfs/dbraw/zinc/79/13/21/628791321.db2.gz UTJMARKJGSBIPF-UHFFFAOYSA-N 1 0 277.314 3.345 20 10 CGCDRO C[C@H]1C[C@@H](CC[NH2+]Cc2cc(Cl)ccc2O)CCO1 ZINC000784643680 628827086 /nfs/dbraw/zinc/82/70/86/628827086.db2.gz NRFQYZMATKPUGL-RYUDHWBXSA-N 1 0 283.799 3.340 20 10 CGCDRO Cc1ccccc1[C@@H]([C@@H](C)[NH2+]Cc1ccccc1O)N(C)C ZINC000785561618 628870593 /nfs/dbraw/zinc/87/05/93/628870593.db2.gz ZSXBARKGDZFWFM-DNVCBOLYSA-N 1 0 298.430 3.482 20 10 CGCDRO CCOc1cccc(C[NH2+]C(C)(C)C2CCOCC2)c1O ZINC000785608342 628874117 /nfs/dbraw/zinc/87/41/17/628874117.db2.gz WBKLPJRDKBOEOD-UHFFFAOYSA-N 1 0 293.407 3.086 20 10 CGCDRO COc1ccc(C[NH2+]Cc2cccc3cc[nH]c32)c(O)c1 ZINC000786162707 628917021 /nfs/dbraw/zinc/91/70/21/628917021.db2.gz XBLONBJHQYPZMW-UHFFFAOYSA-N 1 0 282.343 3.172 20 10 CGCDRO CO[C@@H](CC[NH2+][C@H](C)c1ccc(C)cc1O)C(F)(F)F ZINC000786950344 628972201 /nfs/dbraw/zinc/97/22/01/628972201.db2.gz OHCRUDIBSHVAEV-MFKMUULPSA-N 1 0 291.313 3.319 20 10 CGCDRO CO[C@@H](CC[NH2+][C@@H](C)c1ccccc1O)C(F)(F)F ZINC000786952843 628972272 /nfs/dbraw/zinc/97/22/72/628972272.db2.gz IRCDLQSSQPQSDN-CABZTGNLSA-N 1 0 277.286 3.010 20 10 CGCDRO CC1=CC[C@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000788581380 629066011 /nfs/dbraw/zinc/06/60/11/629066011.db2.gz AEIORESVQRWGBE-AWEZNQCLSA-N 1 0 262.372 3.480 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](O)CC(C)(C)C)c(O)c1 ZINC000788606164 629068589 /nfs/dbraw/zinc/06/85/89/629068589.db2.gz YNYJCQIKVKODJL-KGLIPLIRSA-N 1 0 279.424 3.457 20 10 CGCDRO CC[C@@H](O)CCC[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000788661610 629070594 /nfs/dbraw/zinc/07/05/94/629070594.db2.gz BHEHSCFGJJVDCG-ZIAGYGMSSA-N 1 0 265.397 3.211 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCCOC(F)F)c(O)c1 ZINC000788814927 629084003 /nfs/dbraw/zinc/08/40/03/629084003.db2.gz BKUJLFHXMZZVPR-LLVKDONJSA-N 1 0 273.323 3.289 20 10 CGCDRO C[C@H]([NH2+]CCOC(F)(F)F)c1cc(Cl)ccc1O ZINC000788981532 629093362 /nfs/dbraw/zinc/09/33/62/629093362.db2.gz RNVKQJLBGYWZGS-ZETCQYMHSA-N 1 0 283.677 3.233 20 10 CGCDRO CC(C)C[C@]1(CO)CCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000789593091 629149334 /nfs/dbraw/zinc/14/93/34/629149334.db2.gz LTRGNMYLKPDLMT-SFHVURJKSA-N 1 0 290.451 3.126 20 10 CGCDRO Cc1ccc(C[N@@H+](C)Cc2cccc(C)c2O)nc1 ZINC000789595287 629149501 /nfs/dbraw/zinc/14/95/01/629149501.db2.gz SKWSQGBWHALKFE-UHFFFAOYSA-N 1 0 256.349 3.036 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CCSCC[C@@H]2C)c1O ZINC000790480054 629212393 /nfs/dbraw/zinc/21/23/93/629212393.db2.gz WYTLFQWTGCOORP-LBPRGKRZSA-N 1 0 281.421 3.037 20 10 CGCDRO CC(C)=CCC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000790991125 629247402 /nfs/dbraw/zinc/24/74/02/629247402.db2.gz KVVRNFQQXHBQBX-UHFFFAOYSA-N 1 0 292.398 3.108 20 10 CGCDRO COC1(C)CC[NH+](Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000862301704 629341571 /nfs/dbraw/zinc/34/15/71/629341571.db2.gz HYPPUGBUAQKVGP-UHFFFAOYSA-N 1 0 298.377 3.032 20 10 CGCDRO CC1=CCC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862352858 629347061 /nfs/dbraw/zinc/34/70/61/629347061.db2.gz NVJKGUKORDVQOQ-UHFFFAOYSA-N 1 0 282.181 3.307 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@](O)(c3ccccc3)C2)c1 ZINC000862482134 629384859 /nfs/dbraw/zinc/38/48/59/629384859.db2.gz DQRCPDSOKRHBTM-IBGZPJMESA-N 1 0 297.398 3.184 20 10 CGCDRO CC(C)n1nccc1C[NH2+]CCCSc1nccs1 ZINC000792993795 629400810 /nfs/dbraw/zinc/40/08/10/629400810.db2.gz XLAWFEJABAKKMQ-UHFFFAOYSA-N 1 0 296.465 3.193 20 10 CGCDRO Cc1cc(Br)cc(C[NH+]2[C@H](C)C[C@H]2C)c1O ZINC000793221647 629427611 /nfs/dbraw/zinc/42/76/11/629427611.db2.gz YKGDSXRWGVLHDX-NXEZZACHSA-N 1 0 284.197 3.446 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2C[C@@H](C)O[C@H](C3CC3)C2)cc1C ZINC000793220086 629430382 /nfs/dbraw/zinc/43/03/82/629430382.db2.gz QYCTVXITHVSIOF-DYVFJYSZSA-N 1 0 275.392 3.008 20 10 CGCDRO Cc1ccc(O)c(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)c1 ZINC000793230939 629433462 /nfs/dbraw/zinc/43/34/62/629433462.db2.gz IVJYURNYUYKVGP-CMPLNLGQSA-N 1 0 273.298 3.473 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2CC(C)(C)C[C@H]2C)c(O)c1 ZINC000793389659 629453829 /nfs/dbraw/zinc/45/38/29/629453829.db2.gz LMVLLLZPFMCIPZ-RISCZKNCSA-N 1 0 263.381 3.315 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)c1O ZINC000793610720 629490180 /nfs/dbraw/zinc/49/01/80/629490180.db2.gz WTSQEKXVVCJHLD-HUUCEWRRSA-N 1 0 295.810 3.497 20 10 CGCDRO Cc1cc(O)c(C[N@H+](C)CC2(C)COC2)cc1C(C)C ZINC000863299732 629527427 /nfs/dbraw/zinc/52/74/27/629527427.db2.gz SHVPBDRMRLHVJI-UHFFFAOYSA-N 1 0 277.408 3.292 20 10 CGCDRO CC[C@@H]([NH2+]C1CCC(C)(O)CC1)c1ccc(C)cc1O ZINC000794801752 629578189 /nfs/dbraw/zinc/57/81/89/629578189.db2.gz KVXYEQPTQVWOQD-GNHJJJEISA-N 1 0 277.408 3.435 20 10 CGCDRO CC[C@@H](O)CCC[NH2+][C@@H](CC)c1ccc(C)cc1O ZINC000794813038 629580306 /nfs/dbraw/zinc/58/03/06/629580306.db2.gz AXHQRXOUZNUYNF-HIFRSBDPSA-N 1 0 265.397 3.292 20 10 CGCDRO CCN(CC)[C@H](C)C[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000794828522 629583065 /nfs/dbraw/zinc/58/30/65/629583065.db2.gz BMDQYNILCXABFO-NEPJUHHUSA-N 1 0 284.831 3.427 20 10 CGCDRO COc1cc(C[N@@H+]2CCC(C)=C(C)C2)c(O)cc1C ZINC000794878426 629593552 /nfs/dbraw/zinc/59/35/52/629593552.db2.gz DGEYWSBKSCDXKR-UHFFFAOYSA-N 1 0 261.365 3.251 20 10 CGCDRO Oc1cc2c(cc1C[N@@H+]1CCCC[C@@H]1c1cc[nH]n1)CCC2 ZINC000795673053 629708300 /nfs/dbraw/zinc/70/83/00/629708300.db2.gz RAZFZHREJKVXNH-QGZVFWFLSA-N 1 0 297.402 3.331 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H](C2CCC2)[C@H]2CCCO2)c1O ZINC000864052239 629746333 /nfs/dbraw/zinc/74/63/33/629746333.db2.gz FSQHZJOBKHESAK-SJORKVTESA-N 1 0 289.419 3.392 20 10 CGCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](c3ccccn3)C1)CCC2 ZINC000799158892 630150970 /nfs/dbraw/zinc/15/09/70/630150970.db2.gz ARIUZVLXKIYTTG-MRXNPFEDSA-N 1 0 294.398 3.265 20 10 CGCDRO COc1ccc(C[NH2+][C@H](CCO)Cc2ccccc2)cc1C ZINC000799349687 630173727 /nfs/dbraw/zinc/17/37/27/630173727.db2.gz JLWCOZVKJSTWHZ-GOSISDBHSA-N 1 0 299.414 3.087 20 10 CGCDRO CCCC[N@H+](Cc1ccccc1O)CC1(C)COC1 ZINC000801597652 630346061 /nfs/dbraw/zinc/34/60/61/630346061.db2.gz LMNDBZVBTHRYOK-UHFFFAOYSA-N 1 0 263.381 3.031 20 10 CGCDRO CCCC[N@H+](CCOCC1CC1)Cc1ccccc1O ZINC000801596610 630346410 /nfs/dbraw/zinc/34/64/10/630346410.db2.gz HJODTUVSYDBHTR-UHFFFAOYSA-N 1 0 277.408 3.421 20 10 CGCDRO CCCC[N@H+](CCN1CCCCC1)Cc1ccccc1O ZINC000801598073 630346444 /nfs/dbraw/zinc/34/64/44/630346444.db2.gz TZSMIZSDOOREKB-UHFFFAOYSA-N 1 0 290.451 3.480 20 10 CGCDRO COc1cccc(O)c1C[NH2+]CCC1C[C@@H](C)O[C@H](C)C1 ZINC000801732793 630354073 /nfs/dbraw/zinc/35/40/73/630354073.db2.gz XCXIRJVFAAJPKH-CHWSQXEVSA-N 1 0 293.407 3.084 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)c(Cl)c1 ZINC000865689612 630360080 /nfs/dbraw/zinc/36/00/80/630360080.db2.gz KVZIEIBZCKSHEM-GIPNMCIBSA-N 1 0 269.772 3.010 20 10 CGCDRO CC1C[NH+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000802651720 630402540 /nfs/dbraw/zinc/40/25/40/630402540.db2.gz YVOQBBWQKCMYLW-UHFFFAOYSA-N 1 0 272.314 3.223 20 10 CGCDRO CC[C@@H]1CC[C@@H]1[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000806136266 630546606 /nfs/dbraw/zinc/54/66/06/630546606.db2.gz AHNAWBGXWQZYSU-KDOFPFPSSA-N 1 0 288.435 3.442 20 10 CGCDRO CCOc1ccc(C[NH2+][C@@H]2c3ccccc3O[C@H]2C)c(O)c1 ZINC000808445521 630645768 /nfs/dbraw/zinc/64/57/68/630645768.db2.gz WNFKOVYGHVBNPU-SGTLLEGYSA-N 1 0 299.370 3.403 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H]2CCCOC2)c1O ZINC000808678730 630663853 /nfs/dbraw/zinc/66/38/53/630663853.db2.gz WPMVTONZMPSBBV-NEPJUHHUSA-N 1 0 283.799 3.431 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCN(C)[C@H](C)C2)c1O ZINC000808698963 630666650 /nfs/dbraw/zinc/66/66/50/630666650.db2.gz OIOWOEUNNFHURP-MBNYWOFBSA-N 1 0 296.842 3.487 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCC[C@@H](C)CO)c1O ZINC000808707838 630667728 /nfs/dbraw/zinc/66/77/28/630667728.db2.gz AFFBCWQSUPJWDZ-ZYHUDNBSSA-N 1 0 285.815 3.413 20 10 CGCDRO CO[C@H](C)[C@H](C)[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808716026 630669866 /nfs/dbraw/zinc/66/98/66/630669866.db2.gz QGHMWKXPRKMKSR-GARJFASQSA-N 1 0 271.788 3.428 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+][C@@H]2CSC[C@@H]2C)c1O ZINC000809702518 630786635 /nfs/dbraw/zinc/78/66/35/630786635.db2.gz HMGXKXNWTJUPQT-JOYOIKCWSA-N 1 0 271.813 3.195 20 10 CGCDRO CCC[N@H+](CCN1CCCCC1)Cc1cc(C)ccc1O ZINC000809704983 630786702 /nfs/dbraw/zinc/78/67/02/630786702.db2.gz KEPVFQBZNWOWOA-UHFFFAOYSA-N 1 0 290.451 3.399 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H](CCO)c2ccccc2F)c1 ZINC000842762371 635464018 /nfs/dbraw/zinc/46/40/18/635464018.db2.gz DYCOJLGQIAFCFE-INIZCTEOSA-N 1 0 289.350 3.053 20 10 CGCDRO COc1cccc(C[NH2+][C@H]2CC[C@H]2C2CCC2)c1O ZINC000809740426 630796815 /nfs/dbraw/zinc/79/68/15/630796815.db2.gz YNGIJFFUWMUMKH-KBPBESRZSA-N 1 0 261.365 3.069 20 10 CGCDRO CCOC1CC([N@H+](C)Cc2c(O)cccc2Cl)C1 ZINC000809773724 630804015 /nfs/dbraw/zinc/80/40/15/630804015.db2.gz IAYYCRJVEDCTIQ-UHFFFAOYSA-N 1 0 269.772 3.045 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)CN(C)C(C)C)c1ccc(C)cc1O ZINC000810245112 630859161 /nfs/dbraw/zinc/85/91/61/630859161.db2.gz RRWUVDSKTWDVEM-HOCLYGCPSA-N 1 0 278.440 3.470 20 10 CGCDRO COc1cccc(C[NH2+]C[C@@H]2CC(C)=C[C@H](C)C2)c1O ZINC000811507014 631076878 /nfs/dbraw/zinc/07/68/78/631076878.db2.gz NYTOTIJNMBXHDQ-JSGCOSHPSA-N 1 0 275.392 3.483 20 10 CGCDRO CCCC[C@@H](C)[N@H+](C)Cc1c(O)cccc1OC ZINC000811520022 631083115 /nfs/dbraw/zinc/08/31/15/631083115.db2.gz ITGQLXPCNKIZCF-GFCCVEGCSA-N 1 0 251.370 3.411 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc2cnn(C)c2c1)c1cc(F)ccc1O ZINC000812738320 631300252 /nfs/dbraw/zinc/30/02/52/631300252.db2.gz PAQQBGKGRRYEGV-NSHDSACASA-N 1 0 299.349 3.269 20 10 CGCDRO Oc1ccc(F)cc1C[NH+]1CC(c2ccccc2F)C1 ZINC000812790491 631309051 /nfs/dbraw/zinc/30/90/51/631309051.db2.gz UREHIUUCGXCVCY-UHFFFAOYSA-N 1 0 275.298 3.270 20 10 CGCDRO CCC[N@H+](Cc1ccccc1O)CC1(COC)CCC1 ZINC000812827354 631320831 /nfs/dbraw/zinc/32/08/31/631320831.db2.gz SQIFPPCDONNSQN-UHFFFAOYSA-N 1 0 277.408 3.421 20 10 CGCDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876527786 634851041 /nfs/dbraw/zinc/85/10/41/634851041.db2.gz LWILJXKPFXYRHJ-OAHLLOKOSA-N 1 0 288.435 3.022 20 10 CGCDRO COC(=O)[C@H](CC(C)C)[N@H+](C)Cc1cc(C)c(C)cc1O ZINC000814177434 631538252 /nfs/dbraw/zinc/53/82/52/631538252.db2.gz BVCWHRDGHOFLSC-HNNXBMFYSA-N 1 0 293.407 3.029 20 10 CGCDRO Cc1cc(C[N@H+](C)Cc2cccc(O)c2)ccc1N(C)C ZINC000815057568 631709001 /nfs/dbraw/zinc/70/90/01/631709001.db2.gz UHCPMIAVVPKPEJ-UHFFFAOYSA-N 1 0 284.403 3.399 20 10 CGCDRO CCC[C@@]1(CO)CC[N@H+](Cc2ccc(N(C)CC)cc2)C1 ZINC000815121233 631721325 /nfs/dbraw/zinc/72/13/25/631721325.db2.gz XZEHPQZJVXAHSZ-GOSISDBHSA-N 1 0 290.451 3.127 20 10 CGCDRO COc1ccc(C[NH2+]C[C@H](CO)C2CCCCC2)cc1C ZINC000815151115 631731646 /nfs/dbraw/zinc/73/16/46/631731646.db2.gz UOCQZLAFTBKZIP-QGZVFWFLSA-N 1 0 291.435 3.282 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCN2CCCCC2)c(O)c1 ZINC000815557329 631795075 /nfs/dbraw/zinc/79/50/75/631795075.db2.gz QXASZEJIFPYJEM-HNNXBMFYSA-N 1 0 276.424 3.146 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccccc2CO)c(O)c1 ZINC000815564764 631796672 /nfs/dbraw/zinc/79/66/72/631796672.db2.gz RQIVGTHNXNCVOZ-CQSZACIVSA-N 1 0 285.387 3.352 20 10 CGCDRO CC[C@H](O)C[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000815628602 631809479 /nfs/dbraw/zinc/80/94/79/631809479.db2.gz FPAOKKMEIWQKHP-FUHWJXTLSA-N 1 0 299.414 3.427 20 10 CGCDRO C[C@H](F)CC[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000815646085 631811740 /nfs/dbraw/zinc/81/17/40/631811740.db2.gz ZRURQUSTSILXIK-ATZCPNFKSA-N 1 0 255.308 3.417 20 10 CGCDRO Oc1c(C[NH2+]Cc2ccco2)ccc2ccccc21 ZINC000816528627 632004582 /nfs/dbraw/zinc/00/45/82/632004582.db2.gz KSPLAKXBEBCELW-UHFFFAOYSA-N 1 0 253.301 3.428 20 10 CGCDRO COc1ccc(C[NH2+]Cc2cccc(O)c2Cl)c(O)c1 ZINC000816597276 632022091 /nfs/dbraw/zinc/02/20/91/632022091.db2.gz LRINUIPXEDNRIU-UHFFFAOYSA-N 1 0 293.750 3.050 20 10 CGCDRO COc1cc(O)c(C[NH2+]C(C)(C)C(C)(C)C)cc1OC ZINC000816624980 632027079 /nfs/dbraw/zinc/02/70/79/632027079.db2.gz NMQJHLOKBITVPE-UHFFFAOYSA-N 1 0 281.396 3.324 20 10 CGCDRO CCOc1ccc(C[N@H+]2C[C@@H](CC)O[C@@H](CC)C2)c(O)c1 ZINC000817412043 632142827 /nfs/dbraw/zinc/14/28/27/632142827.db2.gz BRGFKMNLBXRLIP-GASCZTMLSA-N 1 0 293.407 3.180 20 10 CGCDRO CC[C@@H]([NH2+]CCCC1(O)CCC1)c1ccccc1O ZINC000817413862 632143671 /nfs/dbraw/zinc/14/36/71/632143671.db2.gz BQWBOVXSUDVHCG-CQSZACIVSA-N 1 0 263.381 3.128 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CCCC2(O)CCC2)cc1 ZINC000817413889 632143847 /nfs/dbraw/zinc/14/38/47/632143847.db2.gz CXDCKLUBBRBPQO-UHFFFAOYSA-N 1 0 290.451 3.318 20 10 CGCDRO CN1CCC[C@H]1C[N@H+](C)Cc1ccc2ccccc2c1O ZINC000817417511 632146385 /nfs/dbraw/zinc/14/63/85/632146385.db2.gz OQOIRVUTHMBQGY-INIZCTEOSA-N 1 0 284.403 3.071 20 10 CGCDRO CC[C@@H]([NH2+]CCCC1(O)CCC1)c1ccc(C)cc1O ZINC000817585709 632191364 /nfs/dbraw/zinc/19/13/64/632191364.db2.gz HBVOTTSAXQUSKT-OAHLLOKOSA-N 1 0 277.408 3.437 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCCC2(O)CCC2)c(O)c1 ZINC000817585945 632191793 /nfs/dbraw/zinc/19/17/93/632191793.db2.gz KBNMEOQINNJYJO-CYBMUJFWSA-N 1 0 263.381 3.046 20 10 CGCDRO C[C@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1ccccc1 ZINC000817938073 632238193 /nfs/dbraw/zinc/23/81/93/632238193.db2.gz CUVGQCQCANHMHO-KSSFIOAISA-N 1 0 283.419 3.103 20 10 CGCDRO C[C@H](N[C@@H]1CCC[NH2+]C1)c1ccc(N2CCCCC2)cc1 ZINC000817942418 632240404 /nfs/dbraw/zinc/24/04/04/632240404.db2.gz YLLBIMJDVNFODR-DOTOQJQBSA-N 1 0 287.451 3.080 20 10 CGCDRO CN(C)c1ccc([C@H](N)C[NH2+][C@H]2CCCC23CCC3)cc1 ZINC000817941949 632240783 /nfs/dbraw/zinc/24/07/83/632240783.db2.gz LXDMQJFTALSBSK-SJORKVTESA-N 1 0 287.451 3.065 20 10 CGCDRO CCC(C)(C)[C@@H](C)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000817944073 632241578 /nfs/dbraw/zinc/24/15/78/632241578.db2.gz XFNPENDPIQQHAR-CZUORRHYSA-N 1 0 277.456 3.167 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cccc(Cl)c1[O-] ZINC000817946443 632243410 /nfs/dbraw/zinc/24/34/10/632243410.db2.gz XFESRLMFTWLPAN-BXUZGUMPSA-N 1 0 282.815 3.086 20 10 CGCDRO CC[C@H]([NH2+]CCc1ccc(N)cc1)c1ccc2c(c1)CCO2 ZINC000817955432 632250465 /nfs/dbraw/zinc/25/04/65/632250465.db2.gz APUPPDZYXOFELT-SFHVURJKSA-N 1 0 296.414 3.487 20 10 CGCDRO C[C@H]([NH2+]CCc1ccc(N)cc1)c1ccc(N(C)C)cc1 ZINC000817956224 632251034 /nfs/dbraw/zinc/25/10/34/632251034.db2.gz UJPMJHOOJGMPRZ-AWEZNQCLSA-N 1 0 283.419 3.228 20 10 CGCDRO C[C@H]([NH2+]CCc1ccc(N)cc1)c1ccc2c(c1)COC2 ZINC000817955814 632251305 /nfs/dbraw/zinc/25/13/05/632251305.db2.gz IHHSOHSMJFFRJS-ZDUSSCGKSA-N 1 0 282.387 3.192 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CC23CC3)c(C(F)(F)F)c1 ZINC000818230151 632298772 /nfs/dbraw/zinc/29/87/72/632298772.db2.gz NEZMKBCGVKPAIF-CYBMUJFWSA-N 1 0 284.325 3.414 20 10 CGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)[C@@H]3C[C@H]3C)C2)cc1 ZINC000818222179 632299015 /nfs/dbraw/zinc/29/90/15/632299015.db2.gz QVCCHRAYUDWJTG-ATNYBXOESA-N 1 0 288.435 3.156 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H]2C[C@H]2C2CCC2)c1O ZINC000818231569 632300880 /nfs/dbraw/zinc/30/08/80/632300880.db2.gz YDIRQYQPBCLWPU-UONOGXRCSA-N 1 0 261.365 3.069 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CC[C@@H](O)C2CCCC2)cc1C ZINC000865876095 632936579 /nfs/dbraw/zinc/93/65/79/632936579.db2.gz TZGHCMAUKSSLOU-MRXNPFEDSA-N 1 0 277.408 3.040 20 10 CGCDRO CO[C@@H](C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1)C1CC1 ZINC000822584019 632977629 /nfs/dbraw/zinc/97/76/29/632977629.db2.gz YXTBQCANAZTIGD-SFHVURJKSA-N 1 0 288.435 3.142 20 10 CGCDRO CCC[C@@H](CCO)[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000866414779 633127539 /nfs/dbraw/zinc/12/75/39/633127539.db2.gz KLXFLWGAVSAMQG-KGLIPLIRSA-N 1 0 265.397 3.211 20 10 CGCDRO CCC[C@@H](CCO)[NH2+][C@@H](CC)c1ccc(C)cc1O ZINC000866415130 633127588 /nfs/dbraw/zinc/12/75/88/633127588.db2.gz PFAIPEPEEZWIMQ-ZFWWWQNUSA-N 1 0 265.397 3.292 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]CC[C@H]2CCCS2)c1O ZINC000866481019 633153031 /nfs/dbraw/zinc/15/30/31/633153031.db2.gz NFGWMSPODXEKSF-VXGBXAGGSA-N 1 0 281.421 3.337 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]CC[C@@H]2CCCS2)c1O ZINC000866481013 633153059 /nfs/dbraw/zinc/15/30/59/633153059.db2.gz NFGWMSPODXEKSF-NEPJUHHUSA-N 1 0 281.421 3.337 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CCOCC1)c1ccccc1O ZINC000866539030 633181653 /nfs/dbraw/zinc/18/16/53/633181653.db2.gz DCBHIVWPZFBWHH-BHYGNILZSA-N 1 0 289.419 3.496 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCn3nccc32)c(O)c1C ZINC000866631440 633221887 /nfs/dbraw/zinc/22/18/87/633221887.db2.gz AHHKCKDCCAJALC-UKRRQHHQSA-N 1 0 285.391 3.391 20 10 CGCDRO CC[C@H](C[C@@H](C)O)[NH2+][C@H](C)c1ccc(N(C)CC)cc1 ZINC000866634258 633223330 /nfs/dbraw/zinc/22/33/30/633223330.db2.gz DEGFDESQVQKSHJ-IIAWOOMASA-N 1 0 278.440 3.343 20 10 CGCDRO C[C@@H]([NH2+]CC[C@H](O)C1CCCC1)c1cc(F)ccc1O ZINC000866639275 633227106 /nfs/dbraw/zinc/22/71/06/633227106.db2.gz XLRORJOUAZLLNY-ABAIWWIYSA-N 1 0 281.371 3.123 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000876559535 634858264 /nfs/dbraw/zinc/85/82/64/634858264.db2.gz BXXSOMRXZSQBMC-GOSISDBHSA-N 1 0 283.371 3.274 20 10 CGCDRO COc1ccc(C[NH2+]C[C@@H](Cc2ccccc2)OC)cc1C ZINC000824592005 633261699 /nfs/dbraw/zinc/26/16/99/633261699.db2.gz XLCKANUNTGBLPP-GOSISDBHSA-N 1 0 299.414 3.351 20 10 CGCDRO CO[C@H](C[NH2+]Cc1ccc(N(C)C)cc1)Cc1ccccc1 ZINC000824589889 633261882 /nfs/dbraw/zinc/26/18/82/633261882.db2.gz JGMBZKWBJCSTCP-IBGZPJMESA-N 1 0 298.430 3.100 20 10 CGCDRO CCCn1nccc1C[N@H+](CCC)Cc1ccccc1O ZINC000824650513 633268290 /nfs/dbraw/zinc/26/82/90/633268290.db2.gz SIAJCAOSVXWICC-UHFFFAOYSA-N 1 0 287.407 3.411 20 10 CGCDRO Cc1cc(O)c(CN2CC[C@@H]([NH+]3CCCC3)C2)cc1Cl ZINC000824655818 633269523 /nfs/dbraw/zinc/26/95/23/633269523.db2.gz AFUPJJPKIDSWNX-CQSZACIVSA-N 1 0 294.826 3.024 20 10 CGCDRO C[C@@]12C[N@H+](Cc3ccccc3O)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000824702834 633276236 /nfs/dbraw/zinc/27/62/36/633276236.db2.gz RFDMUWKRJQLHOA-JWDQPFGJSA-N 1 0 255.361 3.036 20 10 CGCDRO CC(C)[C@H]1C[C@@H](C[NH2+]Cc2cc(F)ccc2O)CCO1 ZINC000824798255 633293235 /nfs/dbraw/zinc/29/32/35/633293235.db2.gz AOOZQSABEKCVTI-BLLLJJGKSA-N 1 0 281.371 3.072 20 10 CGCDRO COc1cc(O)c(C[NH2+]C(C)(C)C2CCC2)cc1OC ZINC000824886660 633302577 /nfs/dbraw/zinc/30/25/77/633302577.db2.gz HOXOLYMCKCHUPT-UHFFFAOYSA-N 1 0 279.380 3.078 20 10 CGCDRO Cc1cccc(C[N@@H+]2C[C@@H](C3CC3)[C@H]2C2CC2)c1O ZINC000824941586 633308465 /nfs/dbraw/zinc/30/84/65/633308465.db2.gz PUZATDWHCQHUJA-JKSUJKDBSA-N 1 0 257.377 3.321 20 10 CGCDRO CC(C)[C@H]1CC[N@@H+]1Cc1ccc(Br)cc1O ZINC000825038039 633321074 /nfs/dbraw/zinc/32/10/74/633321074.db2.gz ODDASDYIIGLEGH-GFCCVEGCSA-N 1 0 284.197 3.385 20 10 CGCDRO CCCc1ncc(C[NH2+]Cc2cc(C)c(C)cc2O)o1 ZINC000825083898 633326724 /nfs/dbraw/zinc/32/67/24/633326724.db2.gz ALWMURMOILOKGT-UHFFFAOYSA-N 1 0 274.364 3.239 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCOCC23CCCCC3)c1O ZINC000825098501 633328838 /nfs/dbraw/zinc/32/88/38/633328838.db2.gz JXLAUZHHYKUAQM-UHFFFAOYSA-N 1 0 275.392 3.236 20 10 CGCDRO CCOc1ccc(C[NH2+]C2(C3(C)CC3)CC2)c(O)c1 ZINC000825124173 633330875 /nfs/dbraw/zinc/33/08/75/633330875.db2.gz JLCOJQHNRIHUDT-UHFFFAOYSA-N 1 0 261.365 3.213 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCC(C)(C)O2)cc1Cl ZINC000825568538 633365453 /nfs/dbraw/zinc/36/54/53/633365453.db2.gz ZOVVYSQHDOBMTP-GFCCVEGCSA-N 1 0 283.799 3.401 20 10 CGCDRO Cc1cc(O)c(C[NH+]2CC(C3CC3)C2)cc1Cl ZINC000825955531 633391608 /nfs/dbraw/zinc/39/16/08/633391608.db2.gz NHSROHSBYQHYTO-UHFFFAOYSA-N 1 0 251.757 3.196 20 10 CGCDRO Oc1cc(Br)ccc1C[N@@H+]1CC[C@H]1C1CC1 ZINC000826043190 633400616 /nfs/dbraw/zinc/40/06/16/633400616.db2.gz FRERHKCQBCILKD-LBPRGKRZSA-N 1 0 282.181 3.139 20 10 CGCDRO COC1([C@H](C)[NH2+]Cc2cc(Cl)c(C)cc2O)CCC1 ZINC000826123661 633407202 /nfs/dbraw/zinc/40/72/02/633407202.db2.gz RTVWYDQXBBPRAX-NSHDSACASA-N 1 0 283.799 3.401 20 10 CGCDRO C[C@]1(C2CC2)CN(Cc2cc(Cl)ccc2O)CCO1 ZINC000826878013 633440096 /nfs/dbraw/zinc/44/00/96/633440096.db2.gz QJQSUUDUHKINRJ-OAHLLOKOSA-N 1 0 281.783 3.047 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+]C[C@H]2CCC[C@@H](C)O2)c1O ZINC000827252092 633475332 /nfs/dbraw/zinc/47/53/32/633475332.db2.gz WVMKZYUEHZSHPY-BXUZGUMPSA-N 1 0 283.799 3.401 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H]3COC[C@H]3C2)cc1 ZINC000827595819 633501681 /nfs/dbraw/zinc/50/16/81/633501681.db2.gz RDANCLIIZCHAEG-DLBZAZTESA-N 1 0 288.435 3.001 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]CCCc2ccco2)c1O ZINC000827675105 633510182 /nfs/dbraw/zinc/51/01/82/633510182.db2.gz YFOLYLNZZFTTDX-UHFFFAOYSA-N 1 0 295.766 3.370 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@]3(CC3(F)F)C2)c1 ZINC000846105137 636143754 /nfs/dbraw/zinc/14/37/54/636143754.db2.gz QJYMLGXJWNLAOK-AWEZNQCLSA-N 1 0 283.318 3.022 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@](C)(COC)C2)cc1 ZINC000830529787 633869183 /nfs/dbraw/zinc/86/91/83/633869183.db2.gz PCWFEDQJNQAWOX-KRWDZBQOSA-N 1 0 276.424 3.001 20 10 CGCDRO CC1(C)C[C@H]([NH2+]CCCSc2nccs2)CCO1 ZINC000872039632 633958642 /nfs/dbraw/zinc/95/86/42/633958642.db2.gz UPPQNXOMVXOEDP-LLVKDONJSA-N 1 0 286.466 3.173 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]C[C@@H]1CCCS1 ZINC000123954585 634020248 /nfs/dbraw/zinc/02/02/48/634020248.db2.gz DTNUXHNNAOYJJG-VIFPVBQESA-N 1 0 257.786 3.031 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@H]1COc3ccccc3C1)CC2 ZINC000834533835 634177279 /nfs/dbraw/zinc/17/72/79/634177279.db2.gz AWPAQTAAVSYEGL-BBRMVZONSA-N 1 0 295.382 3.220 20 10 CGCDRO CN(CC[NH2+][C@H]1CCc2cccc(O)c21)C1CCCCC1 ZINC000834534491 634177292 /nfs/dbraw/zinc/17/72/92/634177292.db2.gz QTQRNLGPOAUQHO-INIZCTEOSA-N 1 0 288.435 3.234 20 10 CGCDRO C[C@@H](C[NH2+][C@@H]1CCc2cccc(O)c21)N1CCC(C)CC1 ZINC000834543316 634178823 /nfs/dbraw/zinc/17/88/23/634178823.db2.gz DHCJEHTXRZCZKK-GOEBONIOSA-N 1 0 288.435 3.090 20 10 CGCDRO CC[C@H]1CCCCN1CC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834585106 634190726 /nfs/dbraw/zinc/19/07/26/634190726.db2.gz GAARFGVWNVSWNO-JKSUJKDBSA-N 1 0 288.435 3.234 20 10 CGCDRO CO[C@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)c(C)c2)C12CCC2 ZINC000834654136 634209124 /nfs/dbraw/zinc/20/91/24/634209124.db2.gz JOSFQJCOEQYSNO-SJORKVTESA-N 1 0 288.435 3.108 20 10 CGCDRO CC(=O)[C@H]1CCC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000872799958 634211783 /nfs/dbraw/zinc/21/17/83/634211783.db2.gz IPTRCZJRVZPCPK-HNNXBMFYSA-N 1 0 283.371 3.346 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CCc3cccc(O)c32)c(C)c1 ZINC000834681053 634218837 /nfs/dbraw/zinc/21/88/37/634218837.db2.gz UWHKYRZCQSWGIP-MRXNPFEDSA-N 1 0 283.371 3.486 20 10 CGCDRO CCn1ccnc1[C@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000834768589 634239255 /nfs/dbraw/zinc/23/92/55/634239255.db2.gz CPSZDHDXMOVNKX-KBPBESRZSA-N 1 0 286.423 3.381 20 10 CGCDRO Cc1cccc2c1OC[C@@H]([NH2+][C@@H]1CCc3cccc(O)c31)C2 ZINC000834806322 634244296 /nfs/dbraw/zinc/24/42/96/634244296.db2.gz ASXYKDIEXXWZLS-JKSUJKDBSA-N 1 0 295.382 3.281 20 10 CGCDRO CC[C@H]([NH2+]CC1=CCOCC1)c1ccc(N(C)C)cc1 ZINC000834860444 634259039 /nfs/dbraw/zinc/25/90/39/634259039.db2.gz RMQMXQKYACORDY-KRWDZBQOSA-N 1 0 274.408 3.140 20 10 CGCDRO CC(C)[C@@H]1C[C@H](C[NH2+][C@H]2CCc3cccc(O)c32)CCO1 ZINC000834884838 634266657 /nfs/dbraw/zinc/26/66/57/634266657.db2.gz DBOYHNBIEQYSNZ-KMFMINBZSA-N 1 0 289.419 3.420 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1)[C@H](C)O ZINC000834887717 634268625 /nfs/dbraw/zinc/26/86/25/634268625.db2.gz LLRFHKNJMACJFV-MPGHIAIKSA-N 1 0 290.451 3.487 20 10 CGCDRO CC(C)OC1(C[NH2+]Cc2ccc3c(c2)CCO3)CCC1 ZINC000873167510 634269500 /nfs/dbraw/zinc/26/95/00/634269500.db2.gz WFCAPPMYDPWZOV-UHFFFAOYSA-N 1 0 275.392 3.059 20 10 CGCDRO CCc1nc(C[NH2+][C@@H](CC)c2ccc(C)cc2O)co1 ZINC000834897048 634274426 /nfs/dbraw/zinc/27/44/26/634274426.db2.gz FIEKTPYHGSXXCQ-AWEZNQCLSA-N 1 0 274.364 3.492 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H](O)C1CCC1)c1cc2c(cc1O)CCCC2 ZINC000834905360 634281002 /nfs/dbraw/zinc/28/10/02/634281002.db2.gz GLDDDUKWYZRBOJ-KZULUSFZSA-N 1 0 289.419 3.083 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1CCC[C@H]1O)c1cc2c(cc1O)CCCC2 ZINC000834906289 634282455 /nfs/dbraw/zinc/28/24/55/634282455.db2.gz OHBKHYLFWXCCPG-YLQAJVPDSA-N 1 0 289.419 3.083 20 10 CGCDRO C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1ccc(F)cc1[O-] ZINC000834908324 634283080 /nfs/dbraw/zinc/28/30/80/634283080.db2.gz INFQKFUFRHVXNR-LBPRGKRZSA-N 1 0 280.387 3.056 20 10 CGCDRO CCn1cc(C[N@H+](C)C/C=C\c2ccc(N(C)C)cc2)cn1 ZINC000835029847 634325604 /nfs/dbraw/zinc/32/56/04/634325604.db2.gz SZEDUNKTJPOYEB-SREVYHEPSA-N 1 0 298.434 3.114 20 10 CGCDRO CCN(CC)C[C@H](C)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835038502 634328819 /nfs/dbraw/zinc/32/88/19/634328819.db2.gz SZIHWVBKTJAPLP-FDMDGMSGSA-N 1 0 289.467 3.086 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@H]2CCCSC2)cc1 ZINC000835042597 634330630 /nfs/dbraw/zinc/33/06/30/634330630.db2.gz KRETVPHYVWHUNB-UJAVWCLSSA-N 1 0 276.449 3.251 20 10 CGCDRO C[C@@H]([NH2+]C/C=C/c1ccc(N(C)C)cc1)c1ccc[nH]1 ZINC000835042072 634330795 /nfs/dbraw/zinc/33/07/95/634330795.db2.gz QQLFQRAZHJEVNI-YVARQFDVSA-N 1 0 269.392 3.445 20 10 CGCDRO CO[C@H]1CCC[N@H+](C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000835046925 634333269 /nfs/dbraw/zinc/33/32/69/634333269.db2.gz AHTQTISVGDOWMX-SUZKBHRPSA-N 1 0 288.435 3.267 20 10 CGCDRO CC(C)[C@H]([NH2+]C/C=C/c1ccc(N(C)C)cc1)C(C)(C)O ZINC000835049913 634336473 /nfs/dbraw/zinc/33/64/73/634336473.db2.gz KGJTYYFCVZIFMP-OZSKJFCKSA-N 1 0 290.451 3.151 20 10 CGCDRO CC[C@@H]1C[N@H+](C/C=C/c2ccc(N(C)C)cc2)CCCO1 ZINC000835051262 634337182 /nfs/dbraw/zinc/33/71/82/634337182.db2.gz IUSUZJPHXLHHNM-SUQGKYDKSA-N 1 0 288.435 3.267 20 10 CGCDRO CCOC[C@H]([NH2+]C/C=C\c1ccc(N(C)C)cc1)C(C)C ZINC000835051195 634337378 /nfs/dbraw/zinc/33/73/78/634337378.db2.gz XCWKDDLSUFIRTD-ZEVQVBBLSA-N 1 0 290.451 3.417 20 10 CGCDRO CCO[C@@H]1CCC[C@H]1[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835053412 634337811 /nfs/dbraw/zinc/33/78/11/634337811.db2.gz BZKIEQWXPLGKAF-IKSUFZCESA-N 1 0 288.435 3.313 20 10 CGCDRO CO[C@@H]1CC[N@H+](C/C=C/c2ccc(N(C)C)cc2)C[C@H]1C ZINC000835054003 634338022 /nfs/dbraw/zinc/33/80/22/634338022.db2.gz GONXGAYFQZDQFK-CDZANEANSA-N 1 0 288.435 3.123 20 10 CGCDRO COCCC1([NH2+]C/C=C\c2ccc(N(C)C)cc2)CCC1 ZINC000835054912 634339143 /nfs/dbraw/zinc/33/91/43/634339143.db2.gz SKIAMUOJPLQZLG-XQRVVYSFSA-N 1 0 288.435 3.315 20 10 CGCDRO CCOCC(C)(C)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835056230 634341112 /nfs/dbraw/zinc/34/11/12/634341112.db2.gz RVDBTHLEBHXIKS-BQYQJAHWSA-N 1 0 276.424 3.171 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+]C[C@H]2CC[C@@H](C)O2)c1O ZINC000835089246 634351563 /nfs/dbraw/zinc/35/15/63/634351563.db2.gz YLERDQBXNDCYEP-ZWNOBZJWSA-N 1 0 269.772 3.011 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000102675102 634836330 /nfs/dbraw/zinc/83/63/30/634836330.db2.gz IDDGCENVPDEJDG-UHFFFAOYSA-N 1 0 299.374 3.293 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccccc2)cc1 ZINC000102675099 634836447 /nfs/dbraw/zinc/83/64/47/634836447.db2.gz LFPQQCXXCXGYQV-UHFFFAOYSA-N 1 0 254.377 3.385 20 10 CGCDRO Cc1cccc(O)c1C[N@H+](C)C[C@H]1OCCc2ccccc21 ZINC000876634668 634872014 /nfs/dbraw/zinc/87/20/14/634872014.db2.gz YGKIKVYSDJOOAX-LJQANCHMSA-N 1 0 297.398 3.446 20 10 CGCDRO COc1ccc(C[NH2+]Cc2ccc(C)cc2O)cc1OC ZINC000876887245 634921094 /nfs/dbraw/zinc/92/10/94/634921094.db2.gz PHCSVCYFTLGYBM-UHFFFAOYSA-N 1 0 287.359 3.008 20 10 CGCDRO Cc1ccc(C[NH2+][C@H](C)c2ccc3c(c2)OCCO3)c(O)c1 ZINC000876908782 634927046 /nfs/dbraw/zinc/92/70/46/634927046.db2.gz SEIWJMFHEKQOSN-CYBMUJFWSA-N 1 0 299.370 3.323 20 10 CGCDRO CCOc1ccccc1C[NH2+]Cc1ccc(C)cc1O ZINC000876961291 634938886 /nfs/dbraw/zinc/93/88/86/634938886.db2.gz DCCUQOVZWKWSIB-UHFFFAOYSA-N 1 0 271.360 3.389 20 10 CGCDRO CCO[P@@](C)(=O)CC[C@@H](C)[NH2+]Cc1ccccc1O ZINC000876995283 634946967 /nfs/dbraw/zinc/94/69/67/634946967.db2.gz DCEUTDDZDZVJGZ-CWTRNNRKSA-N 1 0 285.324 3.205 20 10 CGCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(C)cc2O)C12CCC2 ZINC000877044297 634961309 /nfs/dbraw/zinc/96/13/09/634961309.db2.gz XKDANMRYBLDSEB-JKSUJKDBSA-N 1 0 275.392 3.138 20 10 CGCDRO Cc1ccc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])c(O)c1 ZINC000877129236 634994097 /nfs/dbraw/zinc/99/40/97/634994097.db2.gz AEMMDAGBYUZHNZ-GFCCVEGCSA-N 1 0 286.331 3.460 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000877425524 635038674 /nfs/dbraw/zinc/03/86/74/635038674.db2.gz CNDZHEVBDAPECW-HNNXBMFYSA-N 1 0 275.392 3.092 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)[C@H]1C[C@H]1C ZINC000840714585 635040645 /nfs/dbraw/zinc/04/06/45/635040645.db2.gz WAAQEIZQXICNBM-KEYYUXOJSA-N 1 0 258.409 3.421 20 10 CGCDRO CCO[C@H]1C[C@@H]([NH2+][C@@H](C)c2cc(Cl)ccc2O)C1 ZINC000840764687 635048982 /nfs/dbraw/zinc/04/89/82/635048982.db2.gz XXOLEKGLTONNFV-ZMLRMANQSA-N 1 0 269.772 3.264 20 10 CGCDRO Cc1cccc(O)c1C[NH2+][C@H]1CCc2cc(O)ccc2C1 ZINC000877480204 635053672 /nfs/dbraw/zinc/05/36/72/635053672.db2.gz NJDIXCLILJUANE-HNNXBMFYSA-N 1 0 283.371 3.053 20 10 CGCDRO CCOC1CC2(C1)CC[N@H+](Cc1c(C)cccc1O)C2 ZINC000877519527 635068338 /nfs/dbraw/zinc/06/83/38/635068338.db2.gz KVJKMLRUIDHDAN-UHFFFAOYSA-N 1 0 275.392 3.092 20 10 CGCDRO COc1cccc(C[NH2+]Cc2c(C)cccc2OC)c1O ZINC000877527024 635071575 /nfs/dbraw/zinc/07/15/75/635071575.db2.gz XJOUJASJKJMQSN-UHFFFAOYSA-N 1 0 287.359 3.008 20 10 CGCDRO COC1([C@@H](C)[NH2+][C@@H](C)c2ccc(N(C)C)cc2)CCC1 ZINC000840884067 635073631 /nfs/dbraw/zinc/07/36/31/635073631.db2.gz INIORONPRRKMLX-UONOGXRCSA-N 1 0 276.424 3.361 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CC2(C)CCOCC2)c(Cl)c1 ZINC000840904684 635078955 /nfs/dbraw/zinc/07/89/55/635078955.db2.gz LIAJYHYJCRZDCA-UHFFFAOYSA-N 1 0 283.799 3.260 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCCS2)c(Cl)c1 ZINC000840903974 635079324 /nfs/dbraw/zinc/07/93/24/635079324.db2.gz FNYJXRQRDJABSF-SNVBAGLBSA-N 1 0 271.813 3.339 20 10 CGCDRO CSC[C@@H]1CCC[N@H+](Cc2ccc(C)cc2O)C1 ZINC000877547747 635082650 /nfs/dbraw/zinc/08/26/50/635082650.db2.gz IYLHBJIGXCKZJV-CYBMUJFWSA-N 1 0 265.422 3.276 20 10 CGCDRO Cc1ncc(CC[NH2+]Cc2ccc(N(C)C)cc2C)s1 ZINC000840935731 635084560 /nfs/dbraw/zinc/08/45/60/635084560.db2.gz BSRFDNGERZSAQH-UHFFFAOYSA-N 1 0 289.448 3.158 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H](C)c1ccncc1 ZINC000840935283 635085060 /nfs/dbraw/zinc/08/50/60/635085060.db2.gz KLPAASAPMYGACL-OAHLLOKOSA-N 1 0 283.419 3.349 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCCNc1ccccn1 ZINC000840938065 635085643 /nfs/dbraw/zinc/08/56/43/635085643.db2.gz ZGBQWHPAYIVVJS-UHFFFAOYSA-N 1 0 298.434 3.048 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CC[C@@H]2CCCCO2)c(Cl)c1 ZINC000840936026 635085789 /nfs/dbraw/zinc/08/57/89/635085789.db2.gz DEPPFPBURAESFJ-LBPRGKRZSA-N 1 0 283.799 3.403 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCC=CO2)c(Cl)c1 ZINC000840939256 635086805 /nfs/dbraw/zinc/08/68/05/635086805.db2.gz LPURAYNEMXUWSF-NSHDSACASA-N 1 0 267.756 3.136 20 10 CGCDRO Cc1cccc(O)c1CNc1cc2c(c[nH+]1)CCC2 ZINC000877553466 635087240 /nfs/dbraw/zinc/08/72/40/635087240.db2.gz STANKABBKZYCLA-UHFFFAOYSA-N 1 0 254.333 3.196 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CSC1(C)C ZINC000840943490 635088040 /nfs/dbraw/zinc/08/80/40/635088040.db2.gz RHSRMCFBZNFEHL-CQSZACIVSA-N 1 0 264.438 3.045 20 10 CGCDRO COC[C@@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)cc1C ZINC000840953318 635092293 /nfs/dbraw/zinc/09/22/93/635092293.db2.gz PPKZVEUKQBCVDH-KRWDZBQOSA-N 1 0 276.424 3.062 20 10 CGCDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000840956205 635093546 /nfs/dbraw/zinc/09/35/46/635093546.db2.gz KTJRMZTZXNBRGF-MJGOQNOKSA-N 1 0 295.382 3.024 20 10 CGCDRO CO[C@](C)([C@H](C)[NH2+]Cc1cc(Cl)ccc1O)C1CC1 ZINC000840961002 635094189 /nfs/dbraw/zinc/09/41/89/635094189.db2.gz PHEOOOBOQZIEOU-ZUZCIYMTSA-N 1 0 283.799 3.339 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](C)[C@](C)(OC)C2CC2)cc1C ZINC000840962020 635095009 /nfs/dbraw/zinc/09/50/09/635095009.db2.gz ZXSARNAIXMXIBP-GUYCJALGSA-N 1 0 277.408 3.297 20 10 CGCDRO COC1([C@H](C)[NH2+]C/C=C/c2ccc(N(C)C)cc2)CCC1 ZINC000840970135 635096887 /nfs/dbraw/zinc/09/68/87/635096887.db2.gz QAWBMQIOMDENOM-ZKKXHLJNSA-N 1 0 288.435 3.313 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]C[C@@H]1C[C@@H]1C ZINC000840975200 635099130 /nfs/dbraw/zinc/09/91/30/635099130.db2.gz DVKGCMJJFUHHMT-NOLJZWGESA-N 1 0 260.425 3.238 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1cncs1 ZINC000840977162 635099264 /nfs/dbraw/zinc/09/92/64/635099264.db2.gz TUHXWBSPEKQSSD-CYBMUJFWSA-N 1 0 289.448 3.238 20 10 CGCDRO Cc1ccc(C[NH2+]C[C@@H](C)CC(F)(F)F)c(O)c1 ZINC000877590041 635104072 /nfs/dbraw/zinc/10/40/72/635104072.db2.gz WJGJAHHVIZJRSH-JTQLQIEISA-N 1 0 261.287 3.379 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CC2(CCOCC2)[C@@H]1C(C)C ZINC000877591654 635105112 /nfs/dbraw/zinc/10/51/12/635105112.db2.gz WWTQMSDFNIQJKE-KRWDZBQOSA-N 1 0 289.419 3.338 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)c(O)c1 ZINC000877604128 635107754 /nfs/dbraw/zinc/10/77/54/635107754.db2.gz XFOCHGHYIOMUBB-HZPDHXFCSA-N 1 0 275.392 3.092 20 10 CGCDRO CCCC[C@@H](C[NH3+])NCc1ccc(N2CCCCC2)cc1 ZINC000841029214 635109330 /nfs/dbraw/zinc/10/93/30/635109330.db2.gz MDXYWNIHDXETCZ-KRWDZBQOSA-N 1 0 289.467 3.284 20 10 CGCDRO Cc1ccc(C[NH2+]CCc2ccc(N)cc2)cc1C ZINC000841034582 635109984 /nfs/dbraw/zinc/10/99/84/635109984.db2.gz DKGMIROJEVNVKV-UHFFFAOYSA-N 1 0 254.377 3.218 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H](C2CC2)[C@@H]2CCCCO2)c(O)c1 ZINC000877616770 635114232 /nfs/dbraw/zinc/11/42/32/635114232.db2.gz HHIOESFNJZMKKT-IRXDYDNUSA-N 1 0 275.392 3.138 20 10 CGCDRO CN(C)c1ccc([C@@H](N)C[NH2+]C2CCCCCCC2)cc1 ZINC000841046189 635114852 /nfs/dbraw/zinc/11/48/52/635114852.db2.gz XNCPPPNDEYMZFE-SFHVURJKSA-N 1 0 289.467 3.455 20 10 CGCDRO Nc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccc2c(c1)CCO2 ZINC000841057476 635116864 /nfs/dbraw/zinc/11/68/64/635116864.db2.gz HVEFWIJADAZGSI-GOSISDBHSA-N 1 0 294.398 3.371 20 10 CGCDRO c1cc(C[NH2+]Cc2ccc3c(c2)CCCN3)cc2c1OCC2 ZINC000841069911 635117560 /nfs/dbraw/zinc/11/75/60/635117560.db2.gz HMNRDKXGQAHYKP-UHFFFAOYSA-N 1 0 294.398 3.269 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@H](CCF)C1 ZINC000877631280 635122759 /nfs/dbraw/zinc/12/27/59/635122759.db2.gz OKOTULLQSOTSJH-ZDUSSCGKSA-N 1 0 251.345 3.272 20 10 CGCDRO COc1cccc(C[NH2+]Cc2c(C)cccc2O)c1C ZINC000877639397 635127400 /nfs/dbraw/zinc/12/74/00/635127400.db2.gz IIFMCPJDARNRJE-UHFFFAOYSA-N 1 0 271.360 3.307 20 10 CGCDRO Cc1ccc(C[N@@H+]2Cc3c[nH]nc3CC(C)(C)C2)c(O)c1 ZINC000877644163 635128664 /nfs/dbraw/zinc/12/86/64/635128664.db2.gz RHGRWJUUYFSRKW-UHFFFAOYSA-N 1 0 285.391 3.008 20 10 CGCDRO Cc1ccc(C(C)(C)C[NH2+]Cc2c(C)cccc2O)nc1 ZINC000877654447 635134112 /nfs/dbraw/zinc/13/41/12/635134112.db2.gz XZPDUOXIRWCWHY-UHFFFAOYSA-N 1 0 284.403 3.471 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc3ccccc3c2O)[C@@H](C)O1 ZINC000877683124 635145345 /nfs/dbraw/zinc/14/53/45/635145345.db2.gz SSZIINAAFJMNSC-XHBSWPGZSA-N 1 0 271.360 3.201 20 10 CGCDRO Oc1cccc2c1CN(Cc1nc3c(s1)CCCC3)C2 ZINC000877702757 635153996 /nfs/dbraw/zinc/15/39/96/635153996.db2.gz GNTMMTWAINJFOR-UHFFFAOYSA-N 1 0 286.400 3.243 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000877704064 635155062 /nfs/dbraw/zinc/15/50/62/635155062.db2.gz YTJPIROKMGQDFU-CHWSQXEVSA-N 1 0 272.314 3.101 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@H](C)c2ccccc2O)c1 ZINC000877756268 635185411 /nfs/dbraw/zinc/18/54/11/635185411.db2.gz DFTBPXWBYLFSIU-GFCCVEGCSA-N 1 0 287.359 3.347 20 10 CGCDRO Cc1ncc([C@@H](C)[NH2+][C@H](C)c2ccccc2O)c(C)n1 ZINC000877757855 635186827 /nfs/dbraw/zinc/18/68/27/635186827.db2.gz XFHVLEAVCITJPO-GHMZBOCLSA-N 1 0 271.364 3.211 20 10 CGCDRO C[C@H]1[C@@H](C)[N@@H+](Cc2c(O)ccc3ccncc32)C[C@H]1C ZINC000841690682 635211707 /nfs/dbraw/zinc/21/17/07/635211707.db2.gz MWIGNFRQOIGYGI-JHJVBQTASA-N 1 0 270.376 3.417 20 10 CGCDRO CC(C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841747545 635223629 /nfs/dbraw/zinc/22/36/29/635223629.db2.gz RCFRFBQCUBIBHJ-JQWIXIFHSA-N 1 0 271.788 3.103 20 10 CGCDRO COC1(C[NH2+][C@@H](C)c2ccc(Cl)cc2O)CCC1 ZINC000841752118 635225279 /nfs/dbraw/zinc/22/52/79/635225279.db2.gz FZTBYIJOUWHQBA-JTQLQIEISA-N 1 0 269.772 3.265 20 10 CGCDRO CO[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1O)C(F)(F)F ZINC000841749873 635225323 /nfs/dbraw/zinc/22/53/23/635225323.db2.gz IUGMVGWHBYPCEX-CPCISQLKSA-N 1 0 297.704 3.274 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)c1ccc(Cl)cc1O)C(C)(C)O ZINC000841753366 635226921 /nfs/dbraw/zinc/22/69/21/635226921.db2.gz HGXHARXGLSWVFH-RNCFNFMXSA-N 1 0 271.788 3.246 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1O)C(C)(C)O ZINC000841753368 635227083 /nfs/dbraw/zinc/22/70/83/635227083.db2.gz HGXHARXGLSWVFH-TVQRCGJNSA-N 1 0 271.788 3.246 20 10 CGCDRO C[C@H]([NH2+]CCN1CCC[C@H]1C)c1ccc(Cl)cc1O ZINC000841754845 635228325 /nfs/dbraw/zinc/22/83/25/635228325.db2.gz MONLOHTZGXFTFW-NEPJUHHUSA-N 1 0 282.815 3.181 20 10 CGCDRO COC[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1O)C(C)C ZINC000841755795 635229537 /nfs/dbraw/zinc/22/95/37/635229537.db2.gz SAHMTQKRIWVUEE-GXFFZTMASA-N 1 0 271.788 3.367 20 10 CGCDRO C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1[O-] ZINC000841758613 635232058 /nfs/dbraw/zinc/23/20/58/635232058.db2.gz UAEYIYPBZSNBLW-OLZOCXBDSA-N 1 0 296.842 3.428 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+][C@H]1COCc2ccccc21 ZINC000841889431 635247964 /nfs/dbraw/zinc/24/79/64/635247964.db2.gz BJBUXYUFLZGVLA-HNNXBMFYSA-N 1 0 289.762 3.407 20 10 CGCDRO CC[C@H](C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1)OC ZINC000842148914 635296034 /nfs/dbraw/zinc/29/60/34/635296034.db2.gz IMWONGMPEJJYPG-QGZVFWFLSA-N 1 0 276.424 3.142 20 10 CGCDRO COCC1(CC[NH2+]C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000842729852 635451129 /nfs/dbraw/zinc/45/11/29/635451129.db2.gz SSOCKPXYKPNYEL-PLNGDYQASA-N 1 0 288.435 3.172 20 10 CGCDRO CCOCc1cc(C[NH2+][C@H]2CCS[C@@H]2C)ccc1OC ZINC000842779421 635470508 /nfs/dbraw/zinc/47/05/08/635470508.db2.gz QMDTWGOKQKVEAR-DOMZBBRYSA-N 1 0 295.448 3.215 20 10 CGCDRO CC[C@H](C)C[C@@H](CO)[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000842913110 635511051 /nfs/dbraw/zinc/51/10/51/635511051.db2.gz ABOAYMWHBLUNCY-GLQYFDAESA-N 1 0 279.424 3.457 20 10 CGCDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cc(Cl)cc(F)c1[O-] ZINC000843053733 635551742 /nfs/dbraw/zinc/55/17/42/635551742.db2.gz GSBKFFFTVKACPB-YHWZYXNKSA-N 1 0 298.789 3.029 20 10 CGCDRO Cc1ccc(O)c(CN2CCCc3cc(C[NH3+])ccc32)c1 ZINC000843057743 635553495 /nfs/dbraw/zinc/55/34/95/635553495.db2.gz SQUBNDNNYASMSF-UHFFFAOYSA-N 1 0 282.387 3.112 20 10 CGCDRO CCN(C)c1ccc([C@H](C)NCc2cscn2)cc1 ZINC000127307369 635618201 /nfs/dbraw/zinc/61/82/01/635618201.db2.gz BCMPHTPADSRBGL-LBPRGKRZSA-N 1 0 275.421 3.450 20 10 CGCDRO CC(C)N(C(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1O)C(C)C ZINC000879651596 635827795 /nfs/dbraw/zinc/82/77/95/635827795.db2.gz CPJNCIYHNNYOMB-KBPBESRZSA-N 1 0 292.423 3.077 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CNc3ccccc3C2)c1 ZINC000844921553 635984157 /nfs/dbraw/zinc/98/41/57/635984157.db2.gz PLTQWHLHQRSGDG-DZGCQCFKSA-N 1 0 282.387 3.388 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(N(C)CC)cc1)[C@@H]1CCCOC1 ZINC000880470194 636006299 /nfs/dbraw/zinc/00/62/99/636006299.db2.gz OCIRMTZJIPDPJI-AEFFLSMTSA-N 1 0 290.451 3.438 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@H+]1C[C@@H](C)OCC12CCC2 ZINC000846066212 636140519 /nfs/dbraw/zinc/14/05/19/636140519.db2.gz AJBLBADROQHEPZ-OAHLLOKOSA-N 1 0 288.435 3.204 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)c2c(C)noc2C)c1O ZINC000846144357 636149205 /nfs/dbraw/zinc/14/92/05/636149205.db2.gz KNWJXLLMHBWPOO-UWVGGRQHSA-N 1 0 290.363 3.417 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]Cc2cc(C(C)C)no2)c1O ZINC000846142975 636149211 /nfs/dbraw/zinc/14/92/11/636149211.db2.gz DRZNGFUBTMKXIS-NSHDSACASA-N 1 0 290.363 3.363 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc3c(c2)CCO3)c1O ZINC000846146007 636149680 /nfs/dbraw/zinc/14/96/80/636149680.db2.gz PCBNRJLYFMJHTA-GFCCVEGCSA-N 1 0 299.370 3.187 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCc3c2cccc3O)c1O ZINC000846145305 636149896 /nfs/dbraw/zinc/14/98/96/636149896.db2.gz MWQKGLCEKLNBHS-XHDPSFHLSA-N 1 0 299.370 3.445 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@H]2CC23CCCC3)c1O ZINC000846164768 636151360 /nfs/dbraw/zinc/15/13/60/636151360.db2.gz IHNJYTWFWRYHBX-FZMZJTMJSA-N 1 0 261.365 3.384 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]CCCC(C)(F)F)c1O ZINC000846169072 636152763 /nfs/dbraw/zinc/15/27/63/636152763.db2.gz FPJPJLRUEHPAGT-SNVBAGLBSA-N 1 0 273.323 3.487 20 10 CGCDRO CCc1noc(C)c1C[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846171459 636152937 /nfs/dbraw/zinc/15/29/37/636152937.db2.gz SVDRFKTZFHZBGF-JTQLQIEISA-N 1 0 290.363 3.110 20 10 CGCDRO CC(C)OC1CCC([NH2+]Cc2ccccc2O)CC1 ZINC000130184272 636429407 /nfs/dbraw/zinc/42/94/07/636429407.db2.gz SBXLNJHSEALTQV-UHFFFAOYSA-N 1 0 263.381 3.218 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]CC1(C2CC2)CC1 ZINC000130697198 636500347 /nfs/dbraw/zinc/50/03/47/636500347.db2.gz CXUXUKSKSSPOSZ-UHFFFAOYSA-N 1 0 251.757 3.325 20 10 CGCDRO CC(C)c1c[nH]c(C[NH2+]CCCSc2nccs2)n1 ZINC000883012896 636505201 /nfs/dbraw/zinc/50/52/01/636505201.db2.gz XGPFOJXROBZEIZ-UHFFFAOYSA-N 1 0 296.465 3.262 20 10 CGCDRO CC[C@@H]([NH2+]CC1(COC)CC1)c1ccc(C)cc1O ZINC000848561418 636606483 /nfs/dbraw/zinc/60/64/83/636606483.db2.gz VSXWXRXYFWFHCD-CQSZACIVSA-N 1 0 263.381 3.168 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H](C)Cc2ccccn2)cc1C ZINC000848567487 636610647 /nfs/dbraw/zinc/61/06/47/636610647.db2.gz WTERXXIHRJKWNE-AWEZNQCLSA-N 1 0 270.376 3.125 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2CCCN3CCCC[C@@H]23)cc1C ZINC000848574197 636613198 /nfs/dbraw/zinc/61/31/98/636613198.db2.gz BKXXESHHNHMKOQ-IRXDYDNUSA-N 1 0 288.435 3.110 20 10 CGCDRO CC[C@H]([NH2+]Cc1cc(C)ccc1O)[C@@H]1CCCCO1 ZINC000848575544 636614982 /nfs/dbraw/zinc/61/49/82/636614982.db2.gz SCGMAQCKYNDTGH-HOCLYGCPSA-N 1 0 263.381 3.138 20 10 CGCDRO CCc1cccc(C[N@H+](CCO)C2CCCCC2)c1O ZINC000848876801 636668826 /nfs/dbraw/zinc/66/88/26/636668826.db2.gz NEDXYXFNVJYYHE-UHFFFAOYSA-N 1 0 277.408 3.082 20 10 CGCDRO COC[C@H]1C[C@@H]([NH2+][C@H](C)c2cc3c(cc2O)CCCC3)C1 ZINC000883319476 636670347 /nfs/dbraw/zinc/67/03/47/636670347.db2.gz DEJXTEFTNWPMDP-IOASZLSFSA-N 1 0 289.419 3.347 20 10 CGCDRO CCc1cccc(C[N@H+](CCOC)Cc2ccco2)c1O ZINC000848882651 636672011 /nfs/dbraw/zinc/67/20/11/636672011.db2.gz WWBWHJKWNROPEX-UHFFFAOYSA-N 1 0 289.375 3.196 20 10 CGCDRO CCc1cccc(C[NH2+]Cc2cccc3c2OCCO3)c1O ZINC000848889844 636677717 /nfs/dbraw/zinc/67/77/17/636677717.db2.gz CTWGRCRFTPZEGG-UHFFFAOYSA-N 1 0 299.370 3.016 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCSC[C@@H](C)C2)c1O ZINC000848906589 636684288 /nfs/dbraw/zinc/68/42/88/636684288.db2.gz WSSROINKCXNGIP-LBPRGKRZSA-N 1 0 265.422 3.140 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCC[C@@H]2c2ncc[nH]2)c1O ZINC000848903400 636684295 /nfs/dbraw/zinc/68/42/95/636684295.db2.gz RWCGNKMBLIKOLG-CQSZACIVSA-N 1 0 271.364 3.015 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCC[C@H](OCC3CC3)C2)c1O ZINC000848904558 636684336 /nfs/dbraw/zinc/68/43/36/636684336.db2.gz XOUGEVGRKYTKOI-KRWDZBQOSA-N 1 0 289.419 3.346 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H]2CCc3cc(O)ccc3C2)c1O ZINC000848908037 636685544 /nfs/dbraw/zinc/68/55/44/636685544.db2.gz WTDNBOCGRCYVQG-QGZVFWFLSA-N 1 0 297.398 3.307 20 10 CGCDRO Oc1c(C[NH+]2CC3(CC3(F)F)C2)ccc2ccccc21 ZINC000848922163 636692405 /nfs/dbraw/zinc/69/24/05/636692405.db2.gz NXFDFCFCOGNHCJ-UHFFFAOYSA-N 1 0 275.298 3.386 20 10 CGCDRO CCOc1ccc(C[NH2+][C@H](CC)[C@@H]2CCCOC2)c(O)c1 ZINC000883352648 636694836 /nfs/dbraw/zinc/69/48/36/636694836.db2.gz FXWBOBKJHNPPNA-GDBMZVCRSA-N 1 0 293.407 3.086 20 10 CGCDRO C[C@H](O)C[N@H+](Cc1ccc(N2CCCCC2)cc1)C1CC1 ZINC000848928795 636700131 /nfs/dbraw/zinc/70/01/31/636700131.db2.gz NVISHCSZQKGGLU-HNNXBMFYSA-N 1 0 288.435 3.022 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CC2(O)CCC(C)CC2)c(O)c1 ZINC000087044851 636789156 /nfs/dbraw/zinc/78/91/56/636789156.db2.gz ZXBRITBHZINJDH-KDJCLPLCSA-N 1 0 277.408 3.292 20 10 CGCDRO CCCC[N@H+](C)Cc1cc(Br)ccc1O ZINC000132428201 636808281 /nfs/dbraw/zinc/80/82/81/636808281.db2.gz UELMJYFULRCUDX-UHFFFAOYSA-N 1 0 272.186 3.387 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+][C@H](C)c3cccnc3)C2)cc1 ZINC000849323511 636809795 /nfs/dbraw/zinc/80/97/95/636809795.db2.gz YSGSLXMWXVJWEM-ZBFHGGJFSA-N 1 0 297.402 3.020 20 10 CGCDRO COc1cc(C[NH2+]CCSC)c(O)c(C(C)(C)C)c1 ZINC000850007897 636927489 /nfs/dbraw/zinc/92/74/89/636927489.db2.gz PPIFLDZMWPIPIU-UHFFFAOYSA-N 1 0 283.437 3.151 20 10 CGCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3cccs3)C2)cc1 ZINC000850345529 637021651 /nfs/dbraw/zinc/02/16/51/637021651.db2.gz CZWOKMKUKXVHFY-CYBMUJFWSA-N 1 0 288.416 3.125 20 10 CGCDRO C[C@@H](COc1c(F)cccc1F)[NH2+]Cc1ccccc1O ZINC000850366783 637031536 /nfs/dbraw/zinc/03/15/36/637031536.db2.gz KSKLMNQXRWDSQN-NSHDSACASA-N 1 0 293.313 3.228 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]CC[C@@]2(C)CC2(F)F)c1 ZINC000850381029 637040675 /nfs/dbraw/zinc/04/06/75/637040675.db2.gz UFBXYBVFLOHHRY-ZDUSSCGKSA-N 1 0 255.308 3.226 20 10 CGCDRO Cc1cc(O)c(C[NH2+]Cc2c(C3CCC3)cnn2C)cc1C ZINC000850391543 637045704 /nfs/dbraw/zinc/04/57/04/637045704.db2.gz UIJBVACEGZRVOQ-UHFFFAOYSA-N 1 0 299.418 3.300 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCOC2(C)C)c(Cl)c1 ZINC000850409319 637051433 /nfs/dbraw/zinc/05/14/33/637051433.db2.gz QPQKMRAMHOMVIS-NSHDSACASA-N 1 0 283.799 3.259 20 10 CGCDRO C[C@@H](CSCCF)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000850431266 637058913 /nfs/dbraw/zinc/05/89/13/637058913.db2.gz VIQAQGZPPVBQRB-NSHDSACASA-N 1 0 288.407 3.073 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1CCN1C(C)(C)C)c1ccc(N(C)C)cc1 ZINC000850483154 637086461 /nfs/dbraw/zinc/08/64/61/637086461.db2.gz XLLSQTKEYXFLKL-RHSMWYFYSA-N 1 0 289.467 3.276 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]CCc1noc3ccccc31)CC2 ZINC000850483878 637086700 /nfs/dbraw/zinc/08/67/00/637086700.db2.gz XGXYMJLCIKFJFI-HNNXBMFYSA-N 1 0 294.354 3.353 20 10 CGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@H]3CCC[C@H]4C[C@H]43)C2)cc1 ZINC000850485863 637087089 /nfs/dbraw/zinc/08/70/89/637087089.db2.gz BVFSMYMDGTWVST-JFTQMJAMSA-N 1 0 286.419 3.052 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+][C@H]2COC(C)(C)C2)c2c1c(F)ccc2O ZINC000850483561 637087139 /nfs/dbraw/zinc/08/71/39/637087139.db2.gz YQYHFPGSTJTZES-FOGDFJRCSA-N 1 0 279.355 3.237 20 10 CGCDRO COc1ccc(N2CC[C@@H]([NH2+]C3CC(C(C)C)C3)C2)cc1 ZINC000850489144 637088687 /nfs/dbraw/zinc/08/86/87/637088687.db2.gz RFRMCKDDXADXHU-HWOWSKLDSA-N 1 0 288.435 3.298 20 10 CGCDRO CC[C@H](COCC1CC1)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000850495230 637090806 /nfs/dbraw/zinc/09/08/06/637090806.db2.gz YNZBNLIEXZLQAI-CABCVRRESA-N 1 0 275.392 3.174 20 10 CGCDRO CCO[C@H]1C[C@H]([NH2+][C@H](CC)c2ccc(N(C)C)cc2)C1 ZINC000850513386 637098236 /nfs/dbraw/zinc/09/82/36/637098236.db2.gz HGDFNIABWXOTBL-DJIMGWMZSA-N 1 0 276.424 3.361 20 10 CGCDRO CC[C@@H](O)C[NH2+][C@H](CC)c1ccc(C(F)(F)F)cc1O ZINC000850529239 637107509 /nfs/dbraw/zinc/10/75/09/637107509.db2.gz OXNJPSGTUPXHHC-ZYHUDNBSSA-N 1 0 291.313 3.223 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCc2ccoc2)c(O)c1 ZINC000850532202 637109432 /nfs/dbraw/zinc/10/94/32/637109432.db2.gz RJIJUFAFGPNKID-CYBMUJFWSA-N 1 0 259.349 3.495 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1C(C)(C)C1(F)F)c1cc(F)ccc1O ZINC000850551940 637117515 /nfs/dbraw/zinc/11/75/15/637117515.db2.gz KSWRASZDTZPMAW-PELKAZGASA-N 1 0 273.298 3.473 20 10 CGCDRO Cn1ncc(C2CCC2)c1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000850549224 637118047 /nfs/dbraw/zinc/11/80/47/637118047.db2.gz GFILRXWIHSTFBI-HNNXBMFYSA-N 1 0 297.402 3.170 20 10 CGCDRO CC[C@H]([NH2+]CC1CCC(O)CC1)c1ccc(C)cc1O ZINC000850553382 637119431 /nfs/dbraw/zinc/11/94/31/637119431.db2.gz WUHCKCSKPLJHIW-XUJLQICISA-N 1 0 277.408 3.292 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@@H](C(C)C)C2CC2)c1O ZINC000850556880 637122303 /nfs/dbraw/zinc/12/23/03/637122303.db2.gz MJOYLQRZEPLIGL-NHYWBVRUSA-N 1 0 263.381 3.486 20 10 CGCDRO C[N@H+](CCCc1ccccc1)Cc1ccccc1O ZINC000109773109 637267410 /nfs/dbraw/zinc/26/74/10/637267410.db2.gz UCVBSAPDPWFMAI-UHFFFAOYSA-N 1 0 255.361 3.457 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CC[C@H](C3CC3)O2)c1 ZINC000886109517 637418344 /nfs/dbraw/zinc/41/83/44/637418344.db2.gz MSZRVYKBIFYYPV-PZSREKOKSA-N 1 0 291.391 3.009 20 10 CGCDRO CCCC[N@@H+](Cc1ccccc1O)C[C@@H]1C[C@]12CCOC2 ZINC000886192454 637453950 /nfs/dbraw/zinc/45/39/50/637453950.db2.gz XBFGJQJYIPGOIP-WMZOPIPTSA-N 1 0 289.419 3.421 20 10 CGCDRO C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)c1c([O-])cccc1F ZINC000886615801 637607169 /nfs/dbraw/zinc/60/71/69/637607169.db2.gz NXXYXCIOWNKNMU-CQSZACIVSA-N 1 0 294.414 3.448 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]C2(COC)CCCCC2)c1 ZINC000853091135 637754865 /nfs/dbraw/zinc/75/48/65/637754865.db2.gz MQTLHLZFFXGAJP-UHFFFAOYSA-N 1 0 293.407 3.230 20 10 CGCDRO COCC1([NH2+]Cc2cc(C)ccc2O)CCCCC1 ZINC000853091066 637754948 /nfs/dbraw/zinc/75/49/48/637754948.db2.gz JYJYFWZRABTGLY-UHFFFAOYSA-N 1 0 263.381 3.140 20 10 CGCDRO Cc1cc(C)c(O)c(C[NH+]2CCC(c3ccon3)CC2)c1 ZINC000853592593 637871937 /nfs/dbraw/zinc/87/19/37/637871937.db2.gz XXFAVWZJMUZZBA-UHFFFAOYSA-N 1 0 286.375 3.377 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2C[C@@H](C)O[C@@](C)(C(F)F)C2)cc1C ZINC000853629836 637877041 /nfs/dbraw/zinc/87/70/41/637877041.db2.gz LSOCYTTUQIJMBQ-MLGOLLRUSA-N 1 0 299.361 3.254 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCc2cc(N)ccc21)c1cc(F)ccc1O ZINC000854228011 638028332 /nfs/dbraw/zinc/02/83/32/638028332.db2.gz YMYYKFZDJLLONM-QLJPJBMISA-N 1 0 286.350 3.452 20 10 CGCDRO CC[C@H](N[C@@H](C)C[NH2+]C)c1ccc(C(F)(F)F)cc1O ZINC000854232800 638029780 /nfs/dbraw/zinc/02/97/80/638029780.db2.gz ULMYGHFJAWTVEG-CABZTGNLSA-N 1 0 290.329 3.060 20 10 CGCDRO Cc1cc(C[NH2+]Cc2ccc(N(C)C)cc2)c(C)o1 ZINC000114505286 638374794 /nfs/dbraw/zinc/37/47/94/638374794.db2.gz YETUYKNMCMBZAJ-UHFFFAOYSA-N 1 0 258.365 3.252 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CC[C@@H]2CC2(F)F)cc1F ZINC000856802336 638391904 /nfs/dbraw/zinc/39/19/04/638391904.db2.gz NJHFQHRQTHABRQ-LLVKDONJSA-N 1 0 272.314 3.027 20 10 CGCDRO C[C@@H](Cc1ccccn1)[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000924870837 638417740 /nfs/dbraw/zinc/41/77/40/638417740.db2.gz LWTLFFKDKOLWRE-HNNXBMFYSA-N 1 0 295.430 3.185 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)C1(Br)CC1 ZINC000924901231 638423066 /nfs/dbraw/zinc/42/30/66/638423066.db2.gz RAVNBKFGKBVTTH-JTQLQIEISA-N 1 0 296.208 3.027 20 10 CGCDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2CC=CCC2)cc1F ZINC000858140235 638640333 /nfs/dbraw/zinc/64/03/33/638640333.db2.gz AHQBSZUPHKXLEP-GFCCVEGCSA-N 1 0 266.335 3.229 20 10 CGCDRO CCC[C@]1([NH2+]Cc2cc(F)c(N(C)C)cc2F)CCOC1 ZINC000858163794 638648241 /nfs/dbraw/zinc/64/82/41/638648241.db2.gz LAOMCKDSRGWQNR-INIZCTEOSA-N 1 0 298.377 3.080 20 10 CGCDRO C[C@]1(C[NH2+]Cc2ccc3c(c2)CCO3)C[C@H]2C[C@H]2C1 ZINC000858291257 638673041 /nfs/dbraw/zinc/67/30/41/638673041.db2.gz RWJUQDQCJJTYCZ-QLPKVWCKSA-N 1 0 257.377 3.147 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](CO)CCC(C)C)c(O)c1 ZINC000858486251 638737533 /nfs/dbraw/zinc/73/75/33/638737533.db2.gz SKYXYJWCNUSHBA-UONOGXRCSA-N 1 0 265.397 3.148 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CO[C@H](C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000858546456 638758482 /nfs/dbraw/zinc/75/84/82/638758482.db2.gz VFFVXKSQFFRCQO-SZMVWBNQSA-N 1 0 288.435 3.361 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](c2cnn(C)c2)C(C)C)c1 ZINC000927068535 638837650 /nfs/dbraw/zinc/83/76/50/638837650.db2.gz JWUVATDBOZCFEX-SUMWQHHRSA-N 1 0 287.407 3.482 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2cc(C3CC3)n(C)n2)c(O)c1 ZINC000927108482 638843130 /nfs/dbraw/zinc/84/31/30/638843130.db2.gz QKTLOARLTOMDQR-CYBMUJFWSA-N 1 0 299.418 3.471 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]C1([C@H]3CCCCO3)CC1)CC2 ZINC000927161240 638849094 /nfs/dbraw/zinc/84/90/94/638849094.db2.gz WOOBYFPQKVMVQD-UKRRQHHQSA-N 1 0 273.376 3.071 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C2([C@@H]3CCCCO3)CC2)c1O ZINC000927161716 638849313 /nfs/dbraw/zinc/84/93/13/638849313.db2.gz YXLFGPGJLHVNNU-WFASDCNBSA-N 1 0 291.391 3.153 20 10 CGCDRO COc1ccc(N2CCC[N@@H+]([C@H](C)C3CC3)CC2)cc1 ZINC000929315397 638918260 /nfs/dbraw/zinc/91/82/60/638918260.db2.gz ITDSNOWNWDQMPB-CQSZACIVSA-N 1 0 274.408 3.006 20 10 CGCDRO CC[C@H]([NH2+][C@H]1C[C@H](OC)C1)c1cc(Cl)ccc1O ZINC000858583930 638998350 /nfs/dbraw/zinc/99/83/50/638998350.db2.gz JJXOHIGKQNXLSM-GVXVVHGQSA-N 1 0 269.772 3.264 20 10 CGCDRO COC(=O)[C@@H]1CCCC[C@H]1C[NH2+][C@@H](C)c1ccccc1O ZINC000931555219 639170336 /nfs/dbraw/zinc/17/03/36/639170336.db2.gz VGHVPAZMWAPIJR-KCQAQPDRSA-N 1 0 291.391 3.022 20 10 CGCDRO CS[C@@H]1CCC[C@H]([NH2+]Cc2cc(C)ccc2O)C1 ZINC000117394889 639326767 /nfs/dbraw/zinc/32/67/67/639326767.db2.gz JDDVXIPLMPXNSS-UONOGXRCSA-N 1 0 265.422 3.464 20 10 CGCDRO CC(=O)c1cc(F)cc(C[N@H+]2CCCSC[C@@H]2C)c1O ZINC000934301696 639574969 /nfs/dbraw/zinc/57/49/69/639574969.db2.gz WYFMZNLIYWXZAD-JTQLQIEISA-N 1 0 297.395 3.061 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CCOC23CCCC3)cc1C ZINC000934383912 639598404 /nfs/dbraw/zinc/59/84/04/639598404.db2.gz ONRFPGSBEWCYEM-MRXNPFEDSA-N 1 0 275.392 3.195 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCN2CCCCCC2)c1 ZINC000040767762 639896204 /nfs/dbraw/zinc/89/62/04/639896204.db2.gz OBKJIRHOJQHEMI-HNNXBMFYSA-N 1 0 276.424 3.227 20 10 CGCDRO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)C[C@H]1CCOC1 ZINC000047703679 640023534 /nfs/dbraw/zinc/02/35/34/640023534.db2.gz FRVNAYJBLGZRNF-QGZVFWFLSA-N 1 0 288.435 3.145 20 10 CGCDRO COc1cnccc1[C@@H](C)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000188776704 640151356 /nfs/dbraw/zinc/15/13/56/640151356.db2.gz NKYHRPOQFCNEEA-MNOVXSKESA-N 1 0 290.338 3.347 20 10 CGCDRO COc1ccc(N2CC[C@@H](C[NH2+]C3CCCC3)C2)cc1 ZINC000076361151 640194395 /nfs/dbraw/zinc/19/43/95/640194395.db2.gz VHXDUJBCFGBPQG-AWEZNQCLSA-N 1 0 274.408 3.054 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]CCc2cc(C)c(O)c(C)c2)c1 ZINC000190396068 640245336 /nfs/dbraw/zinc/24/53/36/640245336.db2.gz AURRVJOFDAJLOH-UHFFFAOYSA-N 1 0 285.387 3.355 20 10 CGCDRO CCCN(Cc1ccccc1[N+](=O)[O-])c1ccc(C[NH3+])cc1 ZINC000194979267 640561336 /nfs/dbraw/zinc/56/13/36/640561336.db2.gz FHIYCOUSOKCZJR-UHFFFAOYSA-N 1 0 299.374 3.470 20 10 CGCDRO C[N@H+](CCNCc1c(O)cccc1Cl)C1CCCC1 ZINC000083552490 640596891 /nfs/dbraw/zinc/59/68/91/640596891.db2.gz OZWVTICPNWOGNY-UHFFFAOYSA-N 1 0 282.815 3.010 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]CCc1ccsc1 ZINC000083551681 640597553 /nfs/dbraw/zinc/59/75/53/640597553.db2.gz YQDQERCRXKGZTL-UHFFFAOYSA-N 1 0 267.781 3.439 20 10 CGCDRO Oc1ccccc1C[N@H+](C[C@@H]1CCCO1)[C@@H]1C=CCCC1 ZINC000245828136 640640955 /nfs/dbraw/zinc/64/09/55/640640955.db2.gz ZYGGNXSBADFOOT-SJORKVTESA-N 1 0 287.403 3.482 20 10 CGCDRO C[C@@H]([NH2+][C@H](CO)CC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000090588947 640686018 /nfs/dbraw/zinc/68/60/18/640686018.db2.gz JJZBOUPUEIBXPL-HIFRSBDPSA-N 1 0 278.440 3.200 20 10 CGCDRO C[C@H]([N@H+](C)Cc1ccc(N2CCOCC2)cc1)C1(C)CC1 ZINC000091900542 640726380 /nfs/dbraw/zinc/72/63/80/640726380.db2.gz QPVZLMHBSBNSKK-HNNXBMFYSA-N 1 0 288.435 3.144 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)[C@H](C)CO1 ZINC000092017211 640729724 /nfs/dbraw/zinc/72/97/24/640729724.db2.gz OOXKRSAQVAQPOT-HZPDHXFCSA-N 1 0 288.435 3.286 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCc3cccc(F)c3C2)c1 ZINC000093454304 640772147 /nfs/dbraw/zinc/77/21/47/640772147.db2.gz AZPCILJDAYLEKU-UHFFFAOYSA-N 1 0 271.335 3.398 20 10 CGCDRO Cc1cc(C)c(CNc2cc(-n3ccnc3)cc[nH+]2)c(O)c1 ZINC001160811438 806305845 /nfs/dbraw/zinc/30/58/45/806305845.db2.gz MIMSUDGFGJNKHT-UHFFFAOYSA-N 1 0 294.358 3.202 20 10 CGCDRO CC(C)([NH2+]Cc1ccc(N)cc1)c1ccnc(Cl)c1 ZINC001162790824 806666825 /nfs/dbraw/zinc/66/68/25/806666825.db2.gz WDIGBRGKCVMIHK-UHFFFAOYSA-N 1 0 275.783 3.342 20 10 CGCDRO CCCCC[C@H](C)[NH2+]Cc1cc(OC)ccc1O ZINC000036791973 798851462 /nfs/dbraw/zinc/85/14/62/798851462.db2.gz LYEKYIIUCGNQSA-LBPRGKRZSA-N 1 0 251.370 3.459 20 10 CGCDRO CC[C@@H]([NH2+][C@H](C)CN1CCCCC1)c1ccccc1O ZINC000037153613 798860099 /nfs/dbraw/zinc/86/00/99/798860099.db2.gz LVIOQOCWILTYHZ-GDBMZVCRSA-N 1 0 276.424 3.307 20 10 CGCDRO C[C@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000037253865 798863897 /nfs/dbraw/zinc/86/38/97/798863897.db2.gz NUOMJCOSSINCEP-RDJZCZTQSA-N 1 0 288.435 3.192 20 10 CGCDRO c1cc(N2CCOCC2)ccc1C[NH2+]CC1CCCCC1 ZINC000037247753 798864061 /nfs/dbraw/zinc/86/40/61/798864061.db2.gz DYVUNQPGUAFIEN-UHFFFAOYSA-N 1 0 288.435 3.193 20 10 CGCDRO CCC(CC)[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)N(C)C ZINC000037362939 798866721 /nfs/dbraw/zinc/86/67/21/798866721.db2.gz QSBVGZFRMNBVIM-KRWDZBQOSA-N 1 0 290.451 3.078 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2Cc3ccccc32)c1 ZINC000037565480 798869339 /nfs/dbraw/zinc/86/93/39/798869339.db2.gz AKARVYJBKVQWGI-GXTWGEPZSA-N 1 0 283.371 3.391 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccc1O ZINC000037668305 798871491 /nfs/dbraw/zinc/87/14/91/798871491.db2.gz IOKZFGVHDLHUKV-LLVKDONJSA-N 1 0 272.304 3.151 20 10 CGCDRO Oc1ccc(Cl)cc1CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916043 798879190 /nfs/dbraw/zinc/87/91/90/798879190.db2.gz OPGWUCFPHSTUEK-DOMZBBRYSA-N 1 0 294.826 3.010 20 10 CGCDRO CC[N@H+](Cc1ccccc1O)C1C[C@H]2CCC[C@@H](C1)N2C ZINC001255684432 806705887 /nfs/dbraw/zinc/70/58/87/806705887.db2.gz RGRYZRHNILXGLL-SJPCQFCGSA-N 1 0 288.435 3.229 20 10 CGCDRO c1cc(N2CCCCC2)ccc1C[NH2+][C@H]1CCCOCC1 ZINC000315279708 799235436 /nfs/dbraw/zinc/23/54/36/799235436.db2.gz VQGUHHFNYLUYLR-KRWDZBQOSA-N 1 0 288.435 3.336 20 10 CGCDRO CC1(C)CCC(O)(C[NH2+][C@@H]2CCc3cccc(O)c32)CC1 ZINC000315404955 799235903 /nfs/dbraw/zinc/23/59/03/799235903.db2.gz HCRYXAWGCGETRK-CQSZACIVSA-N 1 0 289.419 3.300 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+][C@H]1CCC(F)(F)C1)CC2 ZINC000381034874 799370318 /nfs/dbraw/zinc/37/03/18/799370318.db2.gz UHDNNIZPSQRMDX-QWRGUYRKSA-N 1 0 253.292 3.157 20 10 CGCDRO CC[C@H]([NH2+]Cc1cc(OC)ccc1O)C1CCCC1 ZINC000382808700 799396559 /nfs/dbraw/zinc/39/65/59/799396559.db2.gz IKLFONZOBPEZMU-HNNXBMFYSA-N 1 0 263.381 3.459 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCS[C@@H]1C)c1cc(F)ccc1O ZINC000383865269 799410388 /nfs/dbraw/zinc/41/03/88/799410388.db2.gz OQJVRRNMHOYQJO-YGOYTEALSA-N 1 0 255.358 3.076 20 10 CGCDRO C[C@@H](CC(C)(C)C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000384451847 799415855 /nfs/dbraw/zinc/41/58/55/799415855.db2.gz ADISOLYBSLZEMI-JTQLQIEISA-N 1 0 265.353 3.035 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)[C@H]1C ZINC000385662618 799427363 /nfs/dbraw/zinc/42/73/63/799427363.db2.gz ONDSCWPIOUMJEV-JKIFEVAISA-N 1 0 258.409 3.421 20 10 CGCDRO CCCC[C@@H](C)[N@H+](C)Cc1cccc(OC)c1O ZINC000386492487 799437065 /nfs/dbraw/zinc/43/70/65/799437065.db2.gz XTEPQGWPJOMMQY-GFCCVEGCSA-N 1 0 251.370 3.411 20 10 CGCDRO CC[C@@]1([NH2+]Cc2ccc(N3CCCCC3)cc2)CCOC1 ZINC000393494765 799487474 /nfs/dbraw/zinc/48/74/74/799487474.db2.gz OSPGSYBIPCMOCI-GOSISDBHSA-N 1 0 288.435 3.336 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2C)C(C)(C)O ZINC000394013156 799493623 /nfs/dbraw/zinc/49/36/23/799493623.db2.gz NPWUEKNDKPLGRZ-BZPMIXESSA-N 1 0 277.408 3.388 20 10 CGCDRO CC(C)[C@@H](CO)C[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000394095775 799494343 /nfs/dbraw/zinc/49/43/43/799494343.db2.gz QSUYPKXLDOGIMH-DZGCQCFKSA-N 1 0 287.403 3.461 20 10 CGCDRO Cc1cc(C)c(C[NH2+][C@H](C)c2cc(F)ccc2O)cn1 ZINC000397023705 799513139 /nfs/dbraw/zinc/51/31/39/799513139.db2.gz MEFGSYRMAZHQFQ-GFCCVEGCSA-N 1 0 274.339 3.394 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CS[C@H](C)C2)c1O ZINC000397770277 799520290 /nfs/dbraw/zinc/52/02/90/799520290.db2.gz ACHFYFNHSZJWJU-KCJUWKMLSA-N 1 0 287.812 3.038 20 10 CGCDRO c1cc(N2CCCCC2)ccc1C[NH2+]CC1=CCOCC1 ZINC000397807878 799520711 /nfs/dbraw/zinc/52/07/11/799520711.db2.gz YKBGMCDSSUXJJX-UHFFFAOYSA-N 1 0 286.419 3.113 20 10 CGCDRO CC[C@H](C[NH2+]Cc1ccccc1O)CC(F)(F)F ZINC000402487515 799562524 /nfs/dbraw/zinc/56/25/24/799562524.db2.gz OBBKYRYKBPFYKH-JTQLQIEISA-N 1 0 261.287 3.460 20 10 CGCDRO CC[N@H+](CCC(F)(F)F)Cc1cc(OC)ccc1O ZINC000688501179 799748610 /nfs/dbraw/zinc/74/86/10/799748610.db2.gz QZFWTOYCWDTEME-UHFFFAOYSA-N 1 0 277.286 3.175 20 10 CGCDRO Cc1ccc(CC[NH2+][C@@H](C)c2ccc(C)cc2O)o1 ZINC000689792200 799768476 /nfs/dbraw/zinc/76/84/76/799768476.db2.gz DNNDQPOPAFZOOO-ZDUSSCGKSA-N 1 0 259.349 3.495 20 10 CGCDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@@H](CCF)C1 ZINC000689884697 799770374 /nfs/dbraw/zinc/77/03/74/799770374.db2.gz XABZGEZVBNHSMX-NSHDSACASA-N 1 0 255.308 3.103 20 10 CGCDRO CCc1cccc(C[NH2+]CCc2nc(C)cs2)c1O ZINC000691448214 799783280 /nfs/dbraw/zinc/78/32/80/799783280.db2.gz RCVQXXTULPZUHR-UHFFFAOYSA-N 1 0 276.405 3.052 20 10 CGCDRO Oc1ccc(Br)cc1C[NH2+][C@]12C[C@H]1CCC2 ZINC000693136153 799808467 /nfs/dbraw/zinc/80/84/67/799808467.db2.gz BJQYXVIPIYKSMO-ZWNOBZJWSA-N 1 0 282.181 3.187 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]CCC1SCCS1 ZINC000693781521 799814713 /nfs/dbraw/zinc/81/47/13/799814713.db2.gz VCHZJHCGEYHRHM-UHFFFAOYSA-N 1 0 289.853 3.331 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1)c1ccccc1O ZINC000693889522 799818005 /nfs/dbraw/zinc/81/80/05/799818005.db2.gz NCHIQRVBDZMNSC-HIFRSBDPSA-N 1 0 276.424 3.306 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](C)Cc2ccccn2)c1 ZINC000694001268 799819234 /nfs/dbraw/zinc/81/92/34/799819234.db2.gz VQYLCCXVMAOASH-ZIAGYGMSSA-N 1 0 270.376 3.377 20 10 CGCDRO c1cc(C[NH2+]C[C@@H]2CCC[C@H]3C[C@H]32)cc2c1OCC2 ZINC000694361634 799821287 /nfs/dbraw/zinc/82/12/87/799821287.db2.gz SPXQWEUIVDJKFQ-CWRNSKLLSA-N 1 0 257.377 3.147 20 10 CGCDRO CC[C@H](C)CC[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000696182491 799838792 /nfs/dbraw/zinc/83/87/92/799838792.db2.gz RPDOTQWIFAFLOU-RYUDHWBXSA-N 1 0 251.370 3.488 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C2CCC(C)(O)CC2)c(O)c1 ZINC000703546757 799925722 /nfs/dbraw/zinc/92/57/22/799925722.db2.gz WTINCGXUFWKNCK-VEAWUBTESA-N 1 0 263.381 3.045 20 10 CGCDRO CCC[C@@H](C[NH2+][C@@H](C)c1ccccc1O)OCC ZINC000705360602 799948911 /nfs/dbraw/zinc/94/89/11/799948911.db2.gz BLSXIQNSAUOEFM-STQMWFEESA-N 1 0 251.370 3.248 20 10 CGCDRO CC[C@@H]([NH2+]C1CCC(C)(O)CC1)c1ccccc1O ZINC000705817193 799954463 /nfs/dbraw/zinc/95/44/63/799954463.db2.gz XUCSUVSIXRUGIN-CXOJTPOUSA-N 1 0 263.381 3.127 20 10 CGCDRO CC[C@@H]1C[C@H]1C[NH2+]Cc1c(O)cccc1Br ZINC000706831881 799967296 /nfs/dbraw/zinc/96/72/96/799967296.db2.gz SLRINIJTDWNMEA-ZJUUUORDSA-N 1 0 284.197 3.290 20 10 CGCDRO C[C@@H](C[NH2+]Cc1c(O)cccc1Br)C1CC1 ZINC000706854171 799967957 /nfs/dbraw/zinc/96/79/57/799967957.db2.gz RWNIZIPYHHAVMU-VIFPVBQESA-N 1 0 284.197 3.290 20 10 CGCDRO Oc1cccc(Br)c1C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000706872019 799969012 /nfs/dbraw/zinc/96/90/12/799969012.db2.gz CRJNJSGYHMTXGF-GBIKHYSHSA-N 1 0 296.208 3.433 20 10 CGCDRO CCC[C@H](C[NH2+][C@H](C)c1cc(F)ccc1O)OCC ZINC000707842021 799979659 /nfs/dbraw/zinc/97/96/59/799979659.db2.gz UYMSXVKFKNDOEQ-DGCLKSJQSA-N 1 0 269.360 3.387 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2csc(C3CC3)n2)c1 ZINC000708228268 799982918 /nfs/dbraw/zinc/98/29/18/799982918.db2.gz PGMKURKURIZPPD-UHFFFAOYSA-N 1 0 274.389 3.324 20 10 CGCDRO COc1ccc(C[NH2+]C[C@H]2CCC3(CCC3)O2)cc1C ZINC000711456387 800059897 /nfs/dbraw/zinc/05/98/97/800059897.db2.gz NXOFPIHBIQWFCK-OAHLLOKOSA-N 1 0 275.392 3.195 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCC3(CCC3)O2)c1 ZINC000711458564 800060213 /nfs/dbraw/zinc/06/02/13/800060213.db2.gz YGWLVTWTGUAELJ-KGLIPLIRSA-N 1 0 275.392 3.453 20 10 CGCDRO CC[C@H](C[C@H](C)O)[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC000716888684 800184041 /nfs/dbraw/zinc/18/40/41/800184041.db2.gz XEJOQSOVMBEJTL-RQJABVFESA-N 1 0 277.408 3.388 20 10 CGCDRO COCC(C)(C)CC[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000718776930 800222770 /nfs/dbraw/zinc/22/27/70/800222770.db2.gz WVAPNJYYYZVABL-ZDUSSCGKSA-N 1 0 265.397 3.414 20 10 CGCDRO COCC(C)(C)CC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000718767265 800223130 /nfs/dbraw/zinc/22/31/30/800223130.db2.gz CUAIMSFKQNAHIK-CYBMUJFWSA-N 1 0 263.381 3.032 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CC[C@H](C3CC3)O2)c(O)c1 ZINC000722335092 800316136 /nfs/dbraw/zinc/31/61/36/800316136.db2.gz WQGHTLFDDSXMDG-DXCKQFNASA-N 1 0 275.392 3.309 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](C)C[C@@H](C)C2)c1 ZINC000723721615 800337484 /nfs/dbraw/zinc/33/74/84/800337484.db2.gz JNUABXFNFSGJKK-CHWSQXEVSA-N 1 0 263.381 3.269 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(OC)c(C)c1)[C@@H]1CCCOC1 ZINC000723987266 800348463 /nfs/dbraw/zinc/34/84/63/800348463.db2.gz FRNWTLYMXAKKKF-CVEARBPZSA-N 1 0 277.408 3.298 20 10 CGCDRO CCCn1nccc1C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000850252052 800517101 /nfs/dbraw/zinc/51/71/01/800517101.db2.gz KWCZDHQNUYWIMI-AWEZNQCLSA-N 1 0 286.423 3.210 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1N(C)C)c1ccc(N(C)C)cc1 ZINC001116296478 802328163 /nfs/dbraw/zinc/32/81/63/802328163.db2.gz ULMTXSOBNSXNPO-QGTPRVQTSA-N 1 0 289.467 3.276 20 10 CGCDRO C/C=C\C[C@H](CO)[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2C ZINC001116629676 802388381 /nfs/dbraw/zinc/38/83/81/802388381.db2.gz PKKQEATXBWPHCU-TXTSOVJRSA-N 1 0 275.392 3.166 20 10 CGCDRO Cc1cccc(CC[NH2+]Cc2ccc(N3CCCC3)cc2)n1 ZINC001116886224 802424943 /nfs/dbraw/zinc/42/49/43/802424943.db2.gz GHXPNKAMSKHZCN-UHFFFAOYSA-N 1 0 295.430 3.323 20 10 CGCDRO CN(C)c1ccc(C[NH+]2CC(CC3CCOCC3)C2)cc1 ZINC001119517458 802675965 /nfs/dbraw/zinc/67/59/65/802675965.db2.gz UONMMEMDDJGWFK-UHFFFAOYSA-N 1 0 288.435 3.001 20 10 CGCDRO Nc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)cc1 ZINC001120269477 802737408 /nfs/dbraw/zinc/73/74/08/802737408.db2.gz TUSNJGJLMODCPA-JSGCOSHPSA-N 1 0 284.325 3.433 20 10 CGCDRO CC(C)(C[NH2+]Cc1ccc(N)cc1)c1ccccc1F ZINC001120371298 802742516 /nfs/dbraw/zinc/74/25/16/802742516.db2.gz UXGPUQSEGIIPKZ-UHFFFAOYSA-N 1 0 272.367 3.475 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)Cc2c[nH]c3ncccc23)cc1 ZINC001137405921 803730811 /nfs/dbraw/zinc/73/08/11/803730811.db2.gz UHHGWPYWACROLZ-UHFFFAOYSA-N 1 0 294.402 3.261 20 10 CGCDRO Cc1cc(C[N@H+]2CC[C@@H](O)C[C@H]2C)c(C)n1-c1ccccc1 ZINC001137858175 803785446 /nfs/dbraw/zinc/78/54/46/803785446.db2.gz ZNWODWVINPJADP-AUUYWEPGSA-N 1 0 298.430 3.439 20 10 CGCDRO Cc1cc(C[N@@H+]2CC[C@H]3OCC[C@H]32)c(C)n1-c1ccccc1 ZINC001137856126 803786166 /nfs/dbraw/zinc/78/61/66/803786166.db2.gz RDJBMPGZSGWRAZ-RTBURBONSA-N 1 0 296.414 3.457 20 10 CGCDRO Cc1cc(CN2CC[C@H]([NH+](C)C)C2)c(C)n1-c1ccccc1 ZINC001137854267 803786414 /nfs/dbraw/zinc/78/64/14/803786414.db2.gz OYRJSGIJMZOYOS-IBGZPJMESA-N 1 0 297.446 3.230 20 10 CGCDRO Cc1cc(CN2CC[N@H+](C)[C@H](C)C2)c(C)n1-c1ccccc1 ZINC001137859078 803787308 /nfs/dbraw/zinc/78/73/08/803787308.db2.gz HXPJTBIZEIFCHF-MRXNPFEDSA-N 1 0 297.446 3.230 20 10 CGCDRO O[C@H]1CCCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC001138215604 803874953 /nfs/dbraw/zinc/87/49/53/803874953.db2.gz LCHHMMQCWCWJAU-SFHVURJKSA-N 1 0 288.435 3.024 20 10 CGCDRO Cc1c(C[N@@H+]2CCC[C@]3(CCOC3)C2)c2ccccc2n1C ZINC001138253909 803881620 /nfs/dbraw/zinc/88/16/20/803881620.db2.gz KFVYYFFDDOMWGP-IBGZPJMESA-N 1 0 298.430 3.489 20 10 CGCDRO Cc1c(C[N@@H+]2CCC3(CC3)C2)c2ccccc2n1C ZINC001138254066 803882799 /nfs/dbraw/zinc/88/27/99/803882799.db2.gz PMELENCCMHDKKX-UHFFFAOYSA-N 1 0 254.377 3.473 20 10 CGCDRO CC[N@H+](Cc1c2ccccc2n(C)c1C)C1CCN(C)CC1 ZINC001138257120 803882812 /nfs/dbraw/zinc/88/28/12/803882812.db2.gz XFZUHIMRJANFOF-UHFFFAOYSA-N 1 0 299.462 3.403 20 10 CGCDRO Cc1c(CN2CCC[C@@H]3C[N@H+](C)C[C@@H]32)c2ccccc2n1C ZINC001138257964 803884962 /nfs/dbraw/zinc/88/49/62/803884962.db2.gz FUNCTPDDLNQMNR-BEFAXECRSA-N 1 0 297.446 3.013 20 10 CGCDRO CC[NH+](CC)[C@@H]1CCN(Cc2c3ccccc3n(C)c2C)C1 ZINC001138257911 803885141 /nfs/dbraw/zinc/88/51/41/803885141.db2.gz CPIFAWPFSIQYOP-MRXNPFEDSA-N 1 0 299.462 3.403 20 10 CGCDRO Cc1cc(C[N@@H+]2CCC[C@H](F)CC2)ccc1N(C)C ZINC001139669694 804247246 /nfs/dbraw/zinc/24/72/46/804247246.db2.gz HTNQZYCZZAAIIP-HNNXBMFYSA-N 1 0 264.388 3.385 20 10 CGCDRO Cc1cc(C[N@@H+]2CCC[C@@H]2c2cnccn2)ccc1N(C)C ZINC001139673602 804247802 /nfs/dbraw/zinc/24/78/02/804247802.db2.gz VVKGDDBNYOGNBP-GOSISDBHSA-N 1 0 296.418 3.188 20 10 CGCDRO Cc1cccc2c1CC[C@@H]([NH2+]CCc1ccc(N)cc1)C2 ZINC001246465156 804345334 /nfs/dbraw/zinc/34/53/34/804345334.db2.gz IRUUJSOILGTIGC-GOSISDBHSA-N 1 0 280.415 3.267 20 10 CGCDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@@](CF)(C(F)(F)F)C1 ZINC001140057598 804364275 /nfs/dbraw/zinc/36/42/75/804364275.db2.gz HJHRGZPIJQIYFL-LBPRGKRZSA-N 1 0 295.251 3.255 20 10 CGCDRO C[C@H]1CC[N@H+](Cc2cc(F)ccc2O)CCC1(F)F ZINC001140058308 804366489 /nfs/dbraw/zinc/36/64/89/804366489.db2.gz WUJXLBGLXQALLE-JTQLQIEISA-N 1 0 273.298 3.399 20 10 CGCDRO C[C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)C[C@@H]1C ZINC001140057826 804366389 /nfs/dbraw/zinc/36/63/89/804366389.db2.gz PHRHVNPJQHWNEN-NEPJUHHUSA-N 1 0 251.345 3.399 20 10 CGCDRO Oc1ccc(F)cc1C[NH+]1CCC2(CC(F)C2)CC1 ZINC001140063750 804367226 /nfs/dbraw/zinc/36/72/26/804367226.db2.gz YHLUTNLQMRXIER-UHFFFAOYSA-N 1 0 267.319 3.245 20 10 CGCDRO Cc1ccc(C)c(C[N@@H+]2CCC(F)(F)[C@@H](C)C2)c1O ZINC001140178169 804394753 /nfs/dbraw/zinc/39/47/53/804394753.db2.gz BKSQEQMGAKUUGJ-LBPRGKRZSA-N 1 0 269.335 3.486 20 10 CGCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@@H](c3ccncc3)C2)c1O ZINC001140180462 804396355 /nfs/dbraw/zinc/39/63/55/804396355.db2.gz XCTXOFUZCBDBNH-MRXNPFEDSA-N 1 0 282.387 3.394 20 10 CGCDRO Cc1ccc(C)c(C[N@@H+]2CCC[C@@H](C(F)F)C2)c1O ZINC001140182082 804397068 /nfs/dbraw/zinc/39/70/68/804397068.db2.gz ICGNEUBNPYPJHP-GFCCVEGCSA-N 1 0 269.335 3.486 20 10 CGCDRO CC[N@H+](Cc1ccccn1)Cc1c(C)ccc(C)c1O ZINC001140182574 804397405 /nfs/dbraw/zinc/39/74/05/804397405.db2.gz VYESAMUTYGSVET-UHFFFAOYSA-N 1 0 270.376 3.426 20 10 CGCDRO Cc1ccc(Cl)nc1C[N@H+](C)Cc1ccccc1O ZINC001140446403 804436911 /nfs/dbraw/zinc/43/69/11/804436911.db2.gz IPLNFMGXUPBORX-UHFFFAOYSA-N 1 0 276.767 3.381 20 10 CGCDRO Oc1cc(Cl)ccc1C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC001140463115 804440668 /nfs/dbraw/zinc/44/06/68/804440668.db2.gz SRPDOYOUKFRMAN-OAHLLOKOSA-N 1 0 281.783 3.048 20 10 CGCDRO Oc1cc(Cl)ccc1CN1CC[NH+](C2CCCC2)CC1 ZINC001140464810 804441302 /nfs/dbraw/zinc/44/13/02/804441302.db2.gz CINFHJREPQEFSY-UHFFFAOYSA-N 1 0 294.826 3.106 20 10 CGCDRO Oc1cc(Cl)ccc1C[NH+]1CCC2(C[C@@H](F)CO2)CC1 ZINC001140465644 804444342 /nfs/dbraw/zinc/44/43/42/804444342.db2.gz POFYABZTJPGGOK-CYBMUJFWSA-N 1 0 299.773 3.139 20 10 CGCDRO CCCCC[NH+]1CCN(Cc2cc(C)ccc2O)CC1 ZINC001140621192 804476513 /nfs/dbraw/zinc/47/65/13/804476513.db2.gz QJRZOORIBZKNIQ-UHFFFAOYSA-N 1 0 276.424 3.008 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2CN2CCCC2)c1 ZINC001140621299 804476524 /nfs/dbraw/zinc/47/65/24/804476524.db2.gz UVSASLIKPKIKEN-QGZVFWFLSA-N 1 0 288.435 3.151 20 10 CGCDRO COCC[C@@H]1CCCC[N@@H+]1Cc1cc(C)ccc1O ZINC001140621023 804476884 /nfs/dbraw/zinc/47/68/84/804476884.db2.gz MLAJFQLSXFMDRX-HNNXBMFYSA-N 1 0 263.381 3.092 20 10 CGCDRO COc1ccc(C[N@@H+]2CCc3cccc(O)c3C2)c(C)c1 ZINC001140677004 804487385 /nfs/dbraw/zinc/48/73/85/804487385.db2.gz VJYTVEVVOTXCCT-UHFFFAOYSA-N 1 0 283.371 3.268 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)Cc2c[nH]c3ccncc23)cc1 ZINC001140805667 804524624 /nfs/dbraw/zinc/52/46/24/804524624.db2.gz LXUFQUFKEIUXAS-UHFFFAOYSA-N 1 0 294.402 3.261 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H]2CF)c(O)c1 ZINC001140855856 804534168 /nfs/dbraw/zinc/53/41/68/804534168.db2.gz DFHGYAVIHCJRCK-OAHLLOKOSA-N 1 0 280.387 3.172 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)c(O)c1 ZINC001140958042 804557512 /nfs/dbraw/zinc/55/75/12/804557512.db2.gz QEOUWKLTVGHMNS-UHFFFAOYSA-N 1 0 299.370 3.060 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)c(O)c1 ZINC001140958127 804559050 /nfs/dbraw/zinc/55/90/50/804559050.db2.gz ROTOASKBXGSDFI-SFHVURJKSA-N 1 0 297.398 3.144 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](C)C[C@@H]2C)c(OC)c1 ZINC001141028065 804573850 /nfs/dbraw/zinc/57/38/50/804573850.db2.gz AACJKJZHJPCNIQ-NEPJUHHUSA-N 1 0 279.380 3.030 20 10 CGCDRO COc1cc(O)c(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)c(OC)c1 ZINC001141029438 804574469 /nfs/dbraw/zinc/57/44/69/804574469.db2.gz RQBHJPDKBMTQJR-BETUJISGSA-N 1 0 291.391 3.031 20 10 CGCDRO Oc1ccc(O)c(C[N@@H+]2CCCC[C@H]2c2cccnc2)c1 ZINC001141158638 804599607 /nfs/dbraw/zinc/59/96/07/804599607.db2.gz IBAJGFOTVOTKOD-INIZCTEOSA-N 1 0 284.359 3.220 20 10 CGCDRO CC(C)(C)c1cccc(C[N@@H+]2CCC(=O)C(C)(C)C2)c1O ZINC001143112625 804804310 /nfs/dbraw/zinc/80/43/10/804804310.db2.gz XRURDNVJNZDYIM-UHFFFAOYSA-N 1 0 289.419 3.491 20 10 CGCDRO COc1ccc(C[N@H+](C)Cc2ccccc2O)c(F)c1F ZINC001143915545 804905599 /nfs/dbraw/zinc/90/55/99/804905599.db2.gz JKKBVQLPTQDGQH-UHFFFAOYSA-N 1 0 293.313 3.311 20 10 CGCDRO Cc1cc(C[NH+]2CC3(CCC3)C2)c(O)cc1Br ZINC001250121025 805427921 /nfs/dbraw/zinc/42/79/21/805427921.db2.gz ZCBLDQZVLGDQJC-UHFFFAOYSA-N 1 0 296.208 3.449 20 10 CGCDRO Cc1cc(C[N@@H+](C)C2CC2)c(O)cc1Br ZINC001250120833 805428068 /nfs/dbraw/zinc/42/80/68/805428068.db2.gz RJNRXPASUKROBK-UHFFFAOYSA-N 1 0 270.170 3.057 20 10 CGCDRO CCN(Cc1ccccc1O)c1nccc(C)c1NC(C)=O ZINC001154889199 805504977 /nfs/dbraw/zinc/50/49/77/805504977.db2.gz SYTRKDVJKVZTRS-UHFFFAOYSA-N 1 0 299.374 3.081 20 10 CGCDRO C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001168128453 807315971 /nfs/dbraw/zinc/31/59/71/807315971.db2.gz QQJHGKPDPQCXTR-CRAIPNDOSA-N 1 0 288.435 3.286 20 10 CGCDRO CCCCC[C@@H](CC)[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC001258437655 807450747 /nfs/dbraw/zinc/45/07/47/807450747.db2.gz HYHZGCCJQCAEBK-CYBMUJFWSA-N 1 0 279.380 3.229 20 10 CGCDRO Cc1cc(C)c(C[NH2+][C@H](C)Cc2cccnc2)c(O)c1 ZINC001258615712 807511082 /nfs/dbraw/zinc/51/10/82/807511082.db2.gz NRNSHURRXQQVGA-CQSZACIVSA-N 1 0 270.376 3.125 20 10 CGCDRO C[C@@H](Cc1cccnc1)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC001258617054 807511850 /nfs/dbraw/zinc/51/18/50/807511850.db2.gz PEOBRQWKMFYPAH-GJZGRUSLSA-N 1 0 283.419 3.429 20 10 CGCDRO C[C@@H]1CCC[C@@H]([N@@H+]2CCCc3cc(O)c(O)cc3C2)C1 ZINC001258826617 807641024 /nfs/dbraw/zinc/64/10/24/807641024.db2.gz DVNLLJTXDNZQTJ-IUODEOHRSA-N 1 0 275.392 3.425 20 10 CGCDRO CC[C@@H](Cc1ccccc1)[NH2+]CCc1ccc(O)c(O)c1 ZINC001258839365 807652287 /nfs/dbraw/zinc/65/22/87/807652287.db2.gz XKVIZDADWBJEJS-INIZCTEOSA-N 1 0 285.387 3.251 20 10 CGCDRO CC[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(O)c1O ZINC001258839944 807652767 /nfs/dbraw/zinc/65/27/67/807652767.db2.gz LPJFZULLLPAOAI-HNNXBMFYSA-N 1 0 271.360 3.209 20 10 CGCDRO CCCCCC[C@H](CC)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001170582818 807858760 /nfs/dbraw/zinc/85/87/60/807858760.db2.gz XSAXIIZGSLACSG-WMLDXEAASA-N 1 0 295.423 3.470 20 10 CGCDRO CC(C)COCC[C@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC001172462387 808332714 /nfs/dbraw/zinc/33/27/14/808332714.db2.gz PDJOUYWCKUOPJK-AWEZNQCLSA-N 1 0 277.408 3.162 20 10 CGCDRO CCCOC1CCC([NH2+]Cc2ccccc2O)CC1 ZINC001173090781 808504938 /nfs/dbraw/zinc/50/49/38/808504938.db2.gz IZCONKZLIZUZNU-UHFFFAOYSA-N 1 0 263.381 3.220 20 10 CGCDRO CCOc1ccc(N2CC3(CC[N@@H+]3C3CCCC3)C2)cc1 ZINC001276925981 809044621 /nfs/dbraw/zinc/04/46/21/809044621.db2.gz KXVQVJURDPNANU-UHFFFAOYSA-N 1 0 286.419 3.292 20 10 CGCDRO C[C@H]([NH2+]Cc1cccnc1Cl)c1ccccc1O ZINC001175418621 809397160 /nfs/dbraw/zinc/39/71/60/809397160.db2.gz MPJPOKICBRPALQ-JTQLQIEISA-N 1 0 262.740 3.291 20 10 CGCDRO Nc1ccc(N(Cc2ccccc2)c2[nH]cc[nH+]2)cc1 ZINC001176085381 809618951 /nfs/dbraw/zinc/61/89/51/809618951.db2.gz NYMDFIHOIPADON-UHFFFAOYSA-N 1 0 264.332 3.330 20 10 CGCDRO CCOC[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)C(C)C ZINC001178606400 809879052 /nfs/dbraw/zinc/87/90/52/809879052.db2.gz ZMLBVINUVSTDRQ-INIZCTEOSA-N 1 0 277.408 3.162 20 10 CGCDRO COc1cc(C)c(C[NH2+]CC[C@@H]2CCO[C@H](C)C2)c(O)c1 ZINC001180810626 810022947 /nfs/dbraw/zinc/02/29/47/810022947.db2.gz NWOSKCUAUQXSMT-ZIAGYGMSSA-N 1 0 293.407 3.004 20 10 CGCDRO Oc1cc(Cl)ccc1C[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC001183371804 810147390 /nfs/dbraw/zinc/14/73/90/810147390.db2.gz TXIRLVZIMVEPQY-VXGBXAGGSA-N 1 0 283.824 3.231 20 10 CGCDRO C[C@H](Cc1ccco1)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001199218058 811563805 /nfs/dbraw/zinc/56/38/05/811563805.db2.gz BCPCSWMIULGKHE-CYBMUJFWSA-N 1 0 271.360 3.325 20 10 CGCDRO COc1ccc(N2CC[NH+](CCC(C)C)CC2)c(C)c1 ZINC001201630399 811924824 /nfs/dbraw/zinc/92/48/24/811924824.db2.gz SEENVQXQNLYJKX-UHFFFAOYSA-N 1 0 276.424 3.172 20 10 CGCDRO CC(C)[C@@H]1C[C@H]1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001202416324 812087263 /nfs/dbraw/zinc/08/72/63/812087263.db2.gz BOMSTONMKSWECA-HOTGVXAUSA-N 1 0 259.393 3.393 20 10 CGCDRO CC[C@H](C)C[C@@H](CO)[NH2+]Cc1c(C)c2ccccc2n1C ZINC001202921711 812200663 /nfs/dbraw/zinc/20/06/63/812200663.db2.gz IHGAGWADWNQSGK-ZFWWWQNUSA-N 1 0 288.435 3.373 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CC[C@H](O)C2CCCC2)c(Cl)c1 ZINC001203428018 812354845 /nfs/dbraw/zinc/35/48/45/812354845.db2.gz KSLLLHRYCMNAJR-HNNXBMFYSA-N 1 0 297.826 3.385 20 10 CGCDRO COc1ccc(CN2Cc3cccc(F)c3C2)c(O)c1 ZINC001203627777 812411170 /nfs/dbraw/zinc/41/11/70/812411170.db2.gz OKWFWEIEDVRZAD-UHFFFAOYSA-N 1 0 273.307 3.056 20 10 CGCDRO COc1ccc(C[N@@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)c(O)c1 ZINC001203634348 812412947 /nfs/dbraw/zinc/41/29/47/812412947.db2.gz AHSRCULFPPAWND-GASCZTMLSA-N 1 0 295.382 3.488 20 10 CGCDRO OCC[C@@H]1CC12CC[NH+](Cc1cc(Cl)ccc1O)CC2 ZINC001203651411 812415295 /nfs/dbraw/zinc/41/52/95/812415295.db2.gz NTSDKKNBIMCOEJ-CYBMUJFWSA-N 1 0 295.810 3.030 20 10 CGCDRO COC(C)(C)[C@@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC001203663942 812423033 /nfs/dbraw/zinc/42/30/33/812423033.db2.gz HGQOKTAIACTRDW-AWEZNQCLSA-N 1 0 283.799 3.435 20 10 CGCDRO COC[C@@]12CCC[C@@H]1C[N@H+](Cc1ccc(N(C)C)cc1)C2 ZINC001203931132 812494793 /nfs/dbraw/zinc/49/47/93/812494793.db2.gz BNVNBKJOYABPIW-AEFFLSMTSA-N 1 0 288.435 3.001 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CO)cc1 ZINC001203935333 812496683 /nfs/dbraw/zinc/49/66/83/812496683.db2.gz FBYGCHPPWADZEP-QAPCUYQASA-N 1 0 290.451 3.126 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](F)C2)cc1 ZINC001203939918 812497896 /nfs/dbraw/zinc/49/78/96/812497896.db2.gz YTJRZOJGKNXDLV-OAHLLOKOSA-N 1 0 264.388 3.467 20 10 CGCDRO COc1cccc([C@@H]2CC[N@H+](Cc3ccc(O)cc3O)C2)c1 ZINC001204277917 812594108 /nfs/dbraw/zinc/59/41/08/812594108.db2.gz OXKIECMXCXFEGO-CQSZACIVSA-N 1 0 299.370 3.096 20 10 CGCDRO CC[NH+](CC)CCN(C)Cc1ccc(N2CCCC2)cc1 ZINC001204318988 812610974 /nfs/dbraw/zinc/61/09/74/812610974.db2.gz CCHSPJBDQJCDKS-UHFFFAOYSA-N 1 0 289.467 3.060 20 10 CGCDRO CCC(CC)[N@H+](CC)Cc1cc(O)c(O)c(OC)c1 ZINC001204346471 812615580 /nfs/dbraw/zinc/61/55/80/812615580.db2.gz QQHNEXUKLBFJQH-UHFFFAOYSA-N 1 0 267.369 3.117 20 10 CGCDRO COc1cc(CN2CCc3ccccc3[C@@H]2C)cc(O)c1O ZINC001204344662 812616224 /nfs/dbraw/zinc/61/62/24/812616224.db2.gz WQLDEBBCESAVOT-LBPRGKRZSA-N 1 0 299.370 3.226 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+]C[C@H]2CCC=CO2)c1 ZINC001205417360 812979701 /nfs/dbraw/zinc/97/97/01/812979701.db2.gz BBIQCEUBOGEBET-OAHLLOKOSA-N 1 0 261.365 3.298 20 10 CGCDRO OC[C@@H](CC1CCCC1)[NH2+]Cc1ccc(Cl)cc1O ZINC001205527646 812995185 /nfs/dbraw/zinc/99/51/85/812995185.db2.gz ZNMHRTIRLUUHEW-CQSZACIVSA-N 1 0 283.799 3.076 20 10 CGCDRO Cc1nccn1CCC[N@@H+](C)Cc1ccc(Cl)cc1O ZINC001205693149 813053188 /nfs/dbraw/zinc/05/31/88/813053188.db2.gz QOJYLWPEESGTCK-UHFFFAOYSA-N 1 0 293.798 3.073 20 10 CGCDRO OCC[C@@H]1CCCCC[N@@H+]1Cc1ccc(Cl)cc1O ZINC001205772596 813071977 /nfs/dbraw/zinc/07/19/77/813071977.db2.gz CIHTWYUNUOOWMM-AWEZNQCLSA-N 1 0 283.799 3.173 20 10 CGCDRO CC[C@@H]1CCC[C@H]1C[NH2+]Cc1cc(OC)ccc1O ZINC001205860230 813111521 /nfs/dbraw/zinc/11/15/21/813111521.db2.gz MPBRDPZYJHGIFK-OLZOCXBDSA-N 1 0 263.381 3.317 20 10 CGCDRO CN(C)c1ccc(CN2CCCC[C@@H]([NH3+])C2)c2ccccc21 ZINC001205933024 813140335 /nfs/dbraw/zinc/14/03/35/813140335.db2.gz VVHYVDDGTYZLTL-MRXNPFEDSA-N 1 0 297.446 3.219 20 10 CGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cncc(F)c1 ZINC001207025023 813467950 /nfs/dbraw/zinc/46/79/50/813467950.db2.gz PMYBNCOTDGKTMR-UHFFFAOYSA-N 1 0 287.382 3.309 20 10 CGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)CC(C)(C)C[NH+](C)C ZINC001207289002 813535851 /nfs/dbraw/zinc/53/58/51/813535851.db2.gz XRYBKOUDOMYHTA-UHFFFAOYSA-N 1 0 291.483 3.162 20 10 CGCDRO COc1ccc(CC[N@@H+]2CCc3cccc(O)c3C2)cc1 ZINC001207477039 813571523 /nfs/dbraw/zinc/57/15/23/813571523.db2.gz QGQIUOACXXQMHU-UHFFFAOYSA-N 1 0 283.371 3.002 20 10 CGCDRO Cc1c[nH]c(=O)c(C[NH2+]Cc2cc(Cl)c(C)cc2O)c1 ZINC001207730205 813641865 /nfs/dbraw/zinc/64/18/65/813641865.db2.gz UUPGQENQCUZAIJ-UHFFFAOYSA-N 1 0 292.766 3.053 20 10 CGCDRO C[C@H](CC1CC1)[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001207748949 813644926 /nfs/dbraw/zinc/64/49/26/813644926.db2.gz RQOZYVGIVFFCMW-RDTXWAMCSA-N 1 0 289.467 3.134 20 10 CGCDRO CC(C)(C)[C@H]1CC[N@H+](Cc2cc(F)ccc2O)CCO1 ZINC001207837776 813658960 /nfs/dbraw/zinc/65/89/60/813658960.db2.gz SPPBVTCBMLWBTI-OAHLLOKOSA-N 1 0 281.371 3.168 20 10 CGCDRO CCc1ccc(CN2CC[NH2+]C[C@@H]2c2ccccc2)c(O)c1 ZINC001210228525 814355057 /nfs/dbraw/zinc/35/50/57/814355057.db2.gz VKUNPQBKCNVIQN-GOSISDBHSA-N 1 0 296.414 3.101 20 10 CGCDRO Nc1ccc(NC2=CC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC001210711603 814593875 /nfs/dbraw/zinc/59/38/75/814593875.db2.gz KQZCBFKIOLEMQO-INIZCTEOSA-N 1 0 257.381 3.213 20 10 CGCDRO CC1(C)CCC[C@@H](Oc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001218350639 816174112 /nfs/dbraw/zinc/17/41/12/816174112.db2.gz OJFHZPLWBAECEC-QGZVFWFLSA-N 1 0 288.435 3.444 20 10 CGCDRO CC(C)(C)c1cccc(CN2CC[C@@]23CCC[NH2+]C3)c1O ZINC001222198915 816373649 /nfs/dbraw/zinc/37/36/49/816373649.db2.gz YFXQPWJASBMVCP-GOSISDBHSA-N 1 0 288.435 3.018 20 10 CGCDRO CCOC(=O)[C@@H]1CCC[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC001231590851 818131493 /nfs/dbraw/zinc/13/14/93/818131493.db2.gz OEIQBQYDAIMSRN-INIZCTEOSA-N 1 0 299.370 3.073 20 10 CGCDRO Cc1cccc(C[N@H+](C)Cc2cccnc2C)c1O ZINC001231595180 818133265 /nfs/dbraw/zinc/13/32/65/818133265.db2.gz UKSJCCTWVDEGNP-UHFFFAOYSA-N 1 0 256.349 3.036 20 10 CGCDRO Cc1cc(C)c(C[N@H+](C)Cc2ccccn2)c(O)c1 ZINC001231841672 818186455 /nfs/dbraw/zinc/18/64/55/818186455.db2.gz CWRUHQFQZNIVME-UHFFFAOYSA-N 1 0 256.349 3.036 20 10 CGCDRO Cc1cc(C)c(C[N@@H+]2CCc3cc(CO)ccc3C2)c(O)c1 ZINC001231842955 818186559 /nfs/dbraw/zinc/18/65/59/818186559.db2.gz QREJBFOCQSBOBB-UHFFFAOYSA-N 1 0 297.398 3.060 20 10 CGCDRO CO[C@@H]1CC[N@H+](Cc2c(C)cc(C)cc2O)[C@@H](C)C1 ZINC001231850941 818189480 /nfs/dbraw/zinc/18/94/80/818189480.db2.gz XGNLTLWVPUXCOT-UONOGXRCSA-N 1 0 263.381 3.008 20 10 CGCDRO Cc1cc(O)c(CN2CC[C@H]([N@@H+](C)C(C)C)C2)cc1Cl ZINC001231870237 818193238 /nfs/dbraw/zinc/19/32/38/818193238.db2.gz PKRPLRSFMJRHEV-AWEZNQCLSA-N 1 0 296.842 3.269 20 10 CGCDRO CC(=O)[C@H]1CCC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC001231881613 818200525 /nfs/dbraw/zinc/20/05/25/818200525.db2.gz YUFMMPZDZDGYKR-HNNXBMFYSA-N 1 0 283.371 3.346 20 10 CGCDRO C[N@H+](Cc1cccs1)Cc1cc(Cl)c(O)cc1O ZINC001232261474 818295727 /nfs/dbraw/zinc/29/57/27/818295727.db2.gz IKFVBPJDOZEIDS-UHFFFAOYSA-N 1 0 283.780 3.445 20 10 CGCDRO C[N@H+](Cc1cc(Cl)c(O)cc1O)CC(C)(C)C ZINC001232264453 818296873 /nfs/dbraw/zinc/29/68/73/818296873.db2.gz BXEGTZMVUFRJAB-UHFFFAOYSA-N 1 0 257.761 3.229 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2C[C@@H](C)C[C@H]2CF)cc1Cl ZINC001232263964 818296968 /nfs/dbraw/zinc/29/69/68/818296968.db2.gz BSFKZPFRYUUIQR-ONGXEEELSA-N 1 0 287.762 3.234 20 10 CGCDRO Oc1cc(O)c(C[N@@H+]2CC[C@@H](C(F)(F)F)C2)cc1Cl ZINC001232264432 818298519 /nfs/dbraw/zinc/29/85/19/818298519.db2.gz BMJCQYZGGHVMKN-MRVPVSSYSA-N 1 0 295.688 3.135 20 10 CGCDRO CCC(CC)[N@H+](C)Cc1cc(Cl)c(O)cc1O ZINC001232262769 818298878 /nfs/dbraw/zinc/29/88/78/818298878.db2.gz PCXTVSBJWYZGGN-UHFFFAOYSA-N 1 0 257.761 3.372 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](OC(C)C)C2)cc1Cl ZINC001232269167 818300015 /nfs/dbraw/zinc/30/00/15/818300015.db2.gz SDDDQELACMZWEZ-LBPRGKRZSA-N 1 0 299.798 3.054 20 10 CGCDRO CN(C)c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)c(O)c1 ZINC001232835324 818452173 /nfs/dbraw/zinc/45/21/73/818452173.db2.gz AQJSGCRMXWICOG-OKILXGFUSA-N 1 0 274.408 3.080 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccsc2)c(O)c1 ZINC001232839325 818453287 /nfs/dbraw/zinc/45/32/87/818453287.db2.gz GJQNUHZQEXVGSB-UHFFFAOYSA-N 1 0 276.405 3.152 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)CC2CCCCC2)c(O)c1 ZINC001232840568 818453508 /nfs/dbraw/zinc/45/35/08/818453508.db2.gz ZSRSLWYEPVOIRN-UHFFFAOYSA-N 1 0 276.424 3.470 20 10 CGCDRO CCC[N@H+](C)Cc1cc(Br)c(OC)cc1O ZINC001233134703 818528325 /nfs/dbraw/zinc/52/83/25/818528325.db2.gz BXMKUXQKTPNWSM-UHFFFAOYSA-N 1 0 288.185 3.005 20 10 CGCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CCC[C@@](C)(O)C2)c1 ZINC001233286032 818568203 /nfs/dbraw/zinc/56/82/03/818568203.db2.gz BRUAHYQMWRUCIC-QGZVFWFLSA-N 1 0 277.408 3.037 20 10 CGCDRO CC(C)(C)c1ccc(O)c(C[NH+]2CCC3(CCO3)CC2)c1 ZINC001233286305 818568810 /nfs/dbraw/zinc/56/88/10/818568810.db2.gz NZBIQBZQJFJFFY-UHFFFAOYSA-N 1 0 289.419 3.445 20 10 CGCDRO COc1cc(Cl)cc(C[N@@H+]2CCCC23CC3)c1O ZINC001233287332 818570871 /nfs/dbraw/zinc/57/08/71/818570871.db2.gz KOQPPQVBPRMUTO-UHFFFAOYSA-N 1 0 267.756 3.183 20 10 CGCDRO [O-]c1ccc(F)c(F)c1C[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC001233335269 818584847 /nfs/dbraw/zinc/58/48/47/818584847.db2.gz OHXXXMLWDBNOGD-GWCFXTLKSA-N 1 0 267.319 3.435 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2O)[C@H](C)CO1 ZINC001233455173 818623442 /nfs/dbraw/zinc/62/34/42/818623442.db2.gz ZOZPVBGUTPHAOK-NXEZZACHSA-N 1 0 289.297 3.020 20 10 CGCDRO Oc1cc(C(F)(F)F)ccc1C[NH+]1CC2(CCC2)C1 ZINC001233452185 818623523 /nfs/dbraw/zinc/62/35/23/818623523.db2.gz NDBBGLJVPKZXCV-UHFFFAOYSA-N 1 0 271.282 3.397 20 10 CGCDRO COc1ccc2ccc(O)c(C[N@@H+]3C[C@@H](F)C[C@H]3C)c2c1 ZINC001234526566 818874957 /nfs/dbraw/zinc/87/49/57/818874957.db2.gz XAOVBFHCBSJCCQ-YPMHNXCESA-N 1 0 289.350 3.486 20 10 CGCDRO CC[NH+]1CCN(c2ccc(O[C@H]3CCC[C@@H]3C)cc2)CC1 ZINC001234657183 818906801 /nfs/dbraw/zinc/90/68/01/818906801.db2.gz CEJQUHVXXXBZIF-YJBOKZPZSA-N 1 0 288.435 3.396 20 10 CGCDRO Oc1c(C[N@@H+]2C[C@@H]3C[C@H]2CO3)cccc1-c1ccccc1 ZINC001234996688 818972580 /nfs/dbraw/zinc/97/25/80/818972580.db2.gz MKVNUKCRXJRBAI-HOTGVXAUSA-N 1 0 281.355 3.032 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(CN2CC3CC2(C[NH3+])C3)cc1 ZINC001235007179 818979119 /nfs/dbraw/zinc/97/91/19/818979119.db2.gz JSUJPVBXCXOBOI-UHFFFAOYSA-N 1 0 295.430 3.017 20 10 CGCDRO CC(C)(C)c1ccc(CN2CCC[C@@]23CC[NH2+]C3)c(O)c1 ZINC001235108588 819003601 /nfs/dbraw/zinc/00/36/01/819003601.db2.gz BKSIXEHUACWWDE-SFHVURJKSA-N 1 0 288.435 3.018 20 10 CGCDRO Cc1cc(Cl)cc(CN2CCCC[C@]23CC[NH2+]C3)c1O ZINC001235130290 819013997 /nfs/dbraw/zinc/01/39/97/819013997.db2.gz SJEIGRNKKGLDNR-MRXNPFEDSA-N 1 0 294.826 3.072 20 10 CGCDRO CC(C)(C)c1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)c(O)c1 ZINC001235678327 819138725 /nfs/dbraw/zinc/13/87/25/819138725.db2.gz BLQWYYDAFUHVDP-AEGPPILISA-N 1 0 277.383 3.480 20 10 CGCDRO CC1(C)CN(Cc2cccc(-c3ccccc3)c2O)CC[NH2+]1 ZINC001235838758 819180705 /nfs/dbraw/zinc/18/07/05/819180705.db2.gz YPTDESDXIHNMED-UHFFFAOYSA-N 1 0 296.414 3.243 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(CN2C[C@H]([NH3+])C[C@H](C)C2)cc1 ZINC001236050486 819287246 /nfs/dbraw/zinc/28/72/46/819287246.db2.gz STXXKNXURVEWHU-KBXCAEBGSA-N 1 0 297.446 3.263 20 10 CGCDRO CC(C)(C)c1ccc(CN2C[C@H]3CCC[C@@H](C2)[NH2+]3)c(O)c1 ZINC001236092152 819310982 /nfs/dbraw/zinc/31/09/82/819310982.db2.gz AAHAEPZNIBSJIJ-IYBDPMFKSA-N 1 0 288.435 3.016 20 10 CGCDRO CN(Cc1c(O)ccc2ccccc21)[C@@]1(C)CCC[NH2+]C1 ZINC001236207691 819370546 /nfs/dbraw/zinc/37/05/46/819370546.db2.gz RGTKFGFMLCCMGL-SFHVURJKSA-N 1 0 284.403 3.119 20 10 CGCDRO CC(C)[N@H+](Cc1cccc(Cl)c1[O-])[C@@H]1CCC[NH2+]C1 ZINC001236467712 819488683 /nfs/dbraw/zinc/48/86/83/819488683.db2.gz HZAWLAKYGJTUNN-CYBMUJFWSA-N 1 0 282.815 3.008 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H]3CCC[C@@H]3C2)cc1OC ZINC001236750595 819589905 /nfs/dbraw/zinc/58/99/05/819589905.db2.gz TYFJZTHZUGCAIQ-QWHCGFSZSA-N 1 0 291.391 3.031 20 10 CGCDRO CCc1ccc(C[N@@H+]2CCC(=O)[C@H]3CCCC[C@@H]32)c(O)c1 ZINC001236783976 819593009 /nfs/dbraw/zinc/59/30/09/819593009.db2.gz QPDCEPOTAAEGMR-HOTGVXAUSA-N 1 0 287.403 3.288 20 10 CGCDRO COc1cc(O)c(C[NH+]2CC3(C2)CCCC3)c(Cl)c1 ZINC001236797400 819597146 /nfs/dbraw/zinc/59/71/46/819597146.db2.gz DVGKVGRVZGZRFA-UHFFFAOYSA-N 1 0 281.783 3.430 20 10 CGCDRO CCc1ccc(C[N@@H+]2CC[C@@H](c3ccccn3)C2)c(O)c1 ZINC001236795199 819597641 /nfs/dbraw/zinc/59/76/41/819597641.db2.gz ROORZWOAPKQBNY-OAHLLOKOSA-N 1 0 282.387 3.339 20 10 CGCDRO COc1cc(O)c(C[NH+]2C[C@H]3CCC[C@@H]3C2)c(Cl)c1 ZINC001236799703 819599923 /nfs/dbraw/zinc/59/99/23/819599923.db2.gz WNAJPNSLJNMIFR-GHMZBOCLSA-N 1 0 281.783 3.286 20 10 CGCDRO COc1cc(O)c(C[N@H+]2CCC[C@@H](OC)CC2)c(Cl)c1 ZINC001236803942 819602018 /nfs/dbraw/zinc/60/20/18/819602018.db2.gz QZHGRXQSLHJIFW-LLVKDONJSA-N 1 0 299.798 3.055 20 10 CGCDRO COc1cc(C)c(C[N@H+](C)Cc2cccc(O)c2)c(O)c1 ZINC001236809647 819604637 /nfs/dbraw/zinc/60/46/37/819604637.db2.gz ZJAMYHORESLYTO-UHFFFAOYSA-N 1 0 287.359 3.047 20 10 CGCDRO COc1cc(C)c(C[NH+]2CCCCCCC2)c(O)c1 ZINC001236810811 819604847 /nfs/dbraw/zinc/60/48/47/819604847.db2.gz JTDNQZFWDNEBMK-UHFFFAOYSA-N 1 0 263.381 3.475 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CCCCC[C@H]2C)c(O)c1 ZINC001236812900 819605093 /nfs/dbraw/zinc/60/50/93/819605093.db2.gz HDOMTKWFUSFPKZ-CYBMUJFWSA-N 1 0 263.381 3.474 20 10 CGCDRO CC[N@H+](CCn1ccnc1)Cc1cc2ccccc2cc1O ZINC001236837606 819617184 /nfs/dbraw/zinc/61/71/84/819617184.db2.gz RBEBWQHSJZNHDL-UHFFFAOYSA-N 1 0 295.386 3.264 20 10 CGCDRO CC[C@@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1Cl ZINC001236924055 819636705 /nfs/dbraw/zinc/63/67/05/819636705.db2.gz JYKXJWHCVCKORU-CYBMUJFWSA-N 1 0 296.842 3.407 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CCc3ncc(C)cc3C2)c(O)c1 ZINC001237045880 819649927 /nfs/dbraw/zinc/64/99/27/819649927.db2.gz KCDMXJYZDNJTAA-UHFFFAOYSA-N 1 0 298.386 3.053 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2CCC[C@H](O)[C@@H](C)C2)c(O)c1 ZINC001237044409 819651139 /nfs/dbraw/zinc/65/11/39/819651139.db2.gz CSGMBDXZFOBRSB-BBRMVZONSA-N 1 0 277.408 3.108 20 10 CGCDRO CCOc1ccc(CN2CC[C@@](C)(F)[C@@H](F)C2)c(O)c1 ZINC001237049841 819652014 /nfs/dbraw/zinc/65/20/14/819652014.db2.gz LWTOLOCQKLLNNO-LSDHHAIUSA-N 1 0 285.334 3.063 20 10 CGCDRO C[C@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2O)C1 ZINC001237054161 819653984 /nfs/dbraw/zinc/65/39/84/819653984.db2.gz VWVMYZRDBVZHKE-JTQLQIEISA-N 1 0 289.297 3.175 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2CC[C@@H](N(C)C3CC3)C2)c(O)c1 ZINC001237055025 819654051 /nfs/dbraw/zinc/65/40/51/819654051.db2.gz LYIVTIQVZYRQAF-QGZVFWFLSA-N 1 0 288.435 3.184 20 10 CGCDRO Oc1cccc(OC(F)(F)F)c1C[N@@H+]1C[C@H]2CC[C@@H]1C2 ZINC001237121843 819673801 /nfs/dbraw/zinc/67/38/01/819673801.db2.gz ARJPZFSEUBVIEO-VHSXEESVSA-N 1 0 287.281 3.275 20 10 CGCDRO Oc1ccc(F)c(Cl)c1C[N@@H+]1CCC[C@@H]2C[C@@H]21 ZINC001237127640 819674040 /nfs/dbraw/zinc/67/40/40/819674040.db2.gz DOQVXXALBRIOFJ-KCJUWKMLSA-N 1 0 255.720 3.169 20 10 CGCDRO Cc1cccc(O)c1CN1CC[NH+](C2CCCCC2)CC1 ZINC001237480901 819760194 /nfs/dbraw/zinc/76/01/94/819760194.db2.gz AZLVWJRELGFPSS-UHFFFAOYSA-N 1 0 288.435 3.151 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC001237487392 819762316 /nfs/dbraw/zinc/76/23/16/819762316.db2.gz IIWWWXCRPFDWCB-SNVBAGLBSA-N 1 0 259.271 3.085 20 10 CGCDRO Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](C)[C@@](C)(O)CC2)c1O ZINC001237681367 819805418 /nfs/dbraw/zinc/80/54/18/819805418.db2.gz NIFBZTXSYUDYKZ-WBMJQRKESA-N 1 0 297.826 3.337 20 10 CGCDRO Cc1cc(F)cc(C[N@@H+]2CC[C@](C)(CF)C2)c1O ZINC001238055705 819919369 /nfs/dbraw/zinc/91/93/69/819919369.db2.gz CCMFWOSCQSOIEU-CQSZACIVSA-N 1 0 255.308 3.021 20 10 CGCDRO Cc1cncc(CC[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3C)n1 ZINC001330325012 935285235 /nfs/dbraw/zinc/28/52/35/935285235.db2.gz ZZPJTWFFAIYQFP-SWLSCSKDSA-N 1 0 297.402 3.180 20 10 CGCDRO c1cc(N2CCCC2)ccc1C[N@@H+]1CC[C@H]1C1CC1 ZINC001344077640 936525506 /nfs/dbraw/zinc/52/55/06/936525506.db2.gz YTVQQISZPDHAMV-KRWDZBQOSA-N 1 0 256.393 3.271 20 10 CGCDRO Nc1ccc(C[NH+]2CCC(Cc3nccs3)CC2)cc1 ZINC001345159538 936804601 /nfs/dbraw/zinc/80/46/01/936804601.db2.gz JZRYVHBCASTOMK-UHFFFAOYSA-N 1 0 287.432 3.180 20 10 CGCDRO C[C@H]1COCC[C@@H]1C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001345413908 936811204 /nfs/dbraw/zinc/81/12/04/936811204.db2.gz WZVVBYGIOHYBBM-DOTOQJQBSA-N 1 0 288.435 3.049 20 10 CGCDRO COc1ccncc1C[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2C ZINC001347669198 936891784 /nfs/dbraw/zinc/89/17/84/936891784.db2.gz UHWRDCZYUSQICI-JSGCOSHPSA-N 1 0 298.386 3.442 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCCSCC2)c1 ZINC000692463913 926829164 /nfs/dbraw/zinc/82/91/64/926829164.db2.gz CPYRXKWJLGSELD-NEPJUHHUSA-N 1 0 281.421 3.337 20 10 CGCDRO Cc1cc(O)c(CN(C)[C@H]2CC[N@@H+](C(C)C)C2)cc1Cl ZINC001474577025 937207084 /nfs/dbraw/zinc/20/70/84/937207084.db2.gz DZFFNUNINJIAJJ-AWEZNQCLSA-N 1 0 296.842 3.269 20 10 CGCDRO Cc1cc(C[N@@H+]2CCC[C@H](C(C)(C)O)C2)ccc1N(C)C ZINC001460751512 937543828 /nfs/dbraw/zinc/54/38/28/937543828.db2.gz RAJBJUMUMBTKJW-INIZCTEOSA-N 1 0 290.451 3.044 20 10 CGCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@@](C)(F)[C@@H](F)C2)c1O ZINC001140178339 931956881 /nfs/dbraw/zinc/95/68/81/931956881.db2.gz ISKHDSQWGAPTPB-DZGCQCFKSA-N 1 0 269.335 3.281 20 10 CGCDRO c1cnc2ccc(C[NH2+]Cc3ccc4c(c3)CCO4)cc2c1 ZINC001461128672 937565339 /nfs/dbraw/zinc/56/53/39/937565339.db2.gz JHJSFSTWMHZPSY-UHFFFAOYSA-N 1 0 290.366 3.460 20 10 CGCDRO CC[C@@]1(CO)CCC[N@@H+]1Cc1cc(C(C)C)ccc1O ZINC001462119695 937618656 /nfs/dbraw/zinc/61/86/56/937618656.db2.gz WSBIDKQGHZGCMV-KRWDZBQOSA-N 1 0 277.408 3.253 20 10 CGCDRO CC[C@@H]1CC[N@H+](Cc2cc(C)cc(OC)c2O)[C@H]1C ZINC001462124077 937619250 /nfs/dbraw/zinc/61/92/50/937619250.db2.gz LNQFBXKMKOKXFU-QWHCGFSZSA-N 1 0 263.381 3.330 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@H]2CCC[C@H](F)C2)c1O ZINC001334375498 932766440 /nfs/dbraw/zinc/76/64/40/932766440.db2.gz RPDGWQHKYIRORB-STQMWFEESA-N 1 0 267.344 3.080 20 10 CGCDRO Oc1cc(Cl)ccc1C[NH2+][C@@H]1CCC[C@H](F)C1 ZINC001462362702 937635717 /nfs/dbraw/zinc/63/57/17/937635717.db2.gz CFYDJBDIPWDPGW-NWDGAFQWSA-N 1 0 257.736 3.416 20 10 CGCDRO CCc1cccc(CN(C)C(C)(C)C[NH+]2CCCC2)c1O ZINC001462391082 937637451 /nfs/dbraw/zinc/63/74/51/937637451.db2.gz XWMQDUHOGIRDED-UHFFFAOYSA-N 1 0 290.451 3.261 20 10 CGCDRO CN(C)c1cc(F)c(C[NH2+]C2(C)CCCC2)cc1F ZINC001308249252 933080547 /nfs/dbraw/zinc/08/05/47/933080547.db2.gz AQGQZLKDCVCAPZ-UHFFFAOYSA-N 1 0 268.351 3.453 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCN2CCC(C)(C)C2)cc1Cl ZINC001462656113 937657302 /nfs/dbraw/zinc/65/73/02/937657302.db2.gz VASDPZXLJCGTHA-UHFFFAOYSA-N 1 0 296.842 3.176 20 10 CGCDRO C/C=C/C[C@@H](CO)[NH2+]Cc1ccc(OCCC)c(C)c1 ZINC001308380259 933104244 /nfs/dbraw/zinc/10/42/44/933104244.db2.gz HFXOPVVTSZQWFZ-NBUZRDOWSA-N 1 0 277.408 3.201 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@@H](CO)C2CCC2)cc1C ZINC001308462287 933115251 /nfs/dbraw/zinc/11/52/51/933115251.db2.gz JMRUXKWVDLGQHE-INIZCTEOSA-N 1 0 277.408 3.034 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2C=CCC2)c(Cl)c1 ZINC001308502975 933120630 /nfs/dbraw/zinc/12/06/30/933120630.db2.gz BYWBDXLBFMSNGZ-NSHDSACASA-N 1 0 251.757 3.410 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2C[C@H](C)[C@@H](C)[C@@H]2C)c(O)c1 ZINC001308827309 933185969 /nfs/dbraw/zinc/18/59/69/933185969.db2.gz ZCDNXLAXCYWLMW-XQQFMLRXSA-N 1 0 263.381 3.186 20 10 CGCDRO CCC[C@H](C)[C@@H](CO)[NH2+]Cc1cc(C(C)C)ccc1O ZINC001308848464 933189235 /nfs/dbraw/zinc/18/92/35/933189235.db2.gz SEWCCTHGCFEZLT-XJKSGUPXSA-N 1 0 279.424 3.402 20 10 CGCDRO COc1cc(C)c(C[NH2+]CCCOC(C)(C)C)c(O)c1 ZINC001308855152 933190949 /nfs/dbraw/zinc/19/09/49/933190949.db2.gz SQEYWLPHPCHJPM-UHFFFAOYSA-N 1 0 281.396 3.004 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CC1(O)CCC(C)CC1 ZINC001308880445 933196237 /nfs/dbraw/zinc/19/62/37/933196237.db2.gz ISDFKXIVQOZQPY-UHFFFAOYSA-N 1 0 290.451 3.092 20 10 CGCDRO Oc1cccc2c1C[N@H+](Cc1cncc3ccccc31)C2 ZINC001308910712 933202066 /nfs/dbraw/zinc/20/20/66/933202066.db2.gz PADQAVSCUHNATR-UHFFFAOYSA-N 1 0 276.339 3.456 20 10 CGCDRO CC(C)c1ccc(O)c(C[N@H+](C)Cc2cccc(=O)[nH]2)c1 ZINC001308950377 933211784 /nfs/dbraw/zinc/21/17/84/933211784.db2.gz OEQLKBCPVADLRF-UHFFFAOYSA-N 1 0 286.375 3.248 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)C[C@@H]1F ZINC001319908869 933956582 /nfs/dbraw/zinc/95/65/82/933956582.db2.gz YRHDNPAEFMPYDI-PBHICJAKSA-N 1 0 276.399 3.467 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)CC(=O)OC(C)(C)C)c1 ZINC001320252421 934020640 /nfs/dbraw/zinc/02/06/40/934020640.db2.gz FOORUHAIHROKRV-QWHCGFSZSA-N 1 0 293.407 3.472 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CCOc1cccnc1 ZINC001320411296 934044813 /nfs/dbraw/zinc/04/48/13/934044813.db2.gz LNQXMACHKMRVQW-UKRRQHHQSA-N 1 0 298.386 3.313 20 10 CGCDRO CO[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2ccc(C)c(C)c2O)C1 ZINC001320778670 934101357 /nfs/dbraw/zinc/10/13/57/934101357.db2.gz HNGWBSDZSAZTIS-BFHYXJOUSA-N 1 0 263.381 3.227 20 10 CGCDRO Cc1cc(C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3C)ncn1 ZINC001325355826 934907034 /nfs/dbraw/zinc/90/70/34/934907034.db2.gz GAMWHZCZWQPHOR-SMDDNHRTSA-N 1 0 283.375 3.137 20 10 CGCDRO Cc1cc(O)c(CN2CCC[N@@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC001325582632 934918978 /nfs/dbraw/zinc/91/89/78/934918978.db2.gz RVAPWQQEQPPJGN-CYBMUJFWSA-N 1 0 294.826 3.024 20 10 CGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+][C@H]1CCCC[C@@H]1O ZINC001325905193 934938521 /nfs/dbraw/zinc/93/85/21/934938521.db2.gz WHJYISVUZQTADO-FQUUOJAGSA-N 1 0 275.392 3.142 20 10 CGCDRO C[C@H]([NH2+]Cc1c[nH]c(=O)c2ccccc12)c1ccccc1O ZINC001473723397 937819220 /nfs/dbraw/zinc/81/92/20/937819220.db2.gz FASSRKPORYFTKY-LBPRGKRZSA-N 1 0 294.354 3.497 20 10 CGCDRO C[C@@H]1CCC[C@H](C[NH2+]Cc2ccc(N3CCCC3)cc2)O1 ZINC001327254340 935048726 /nfs/dbraw/zinc/04/87/26/935048726.db2.gz LGPRVFSVWXGBFY-CRAIPNDOSA-N 1 0 288.435 3.334 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](CCO)CC2)cc1Cl ZINC001328209601 935124251 /nfs/dbraw/zinc/12/42/51/935124251.db2.gz NVJOPERYWRBLAF-ZDUSSCGKSA-N 1 0 297.826 3.339 20 10 CGCDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001328699196 935161180 /nfs/dbraw/zinc/16/11/80/935161180.db2.gz CZXKNWYGLRTDJZ-FSZRXZPDSA-N 1 0 288.435 3.188 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)[C@H]1CCCO1 ZINC001329721100 935241890 /nfs/dbraw/zinc/24/18/90/935241890.db2.gz AFTXMTIATJOJGI-GDBMZVCRSA-N 1 0 298.377 3.078 20 10 CGCDRO CCC[N@H+](Cc1ccnc(F)c1)Cc1ccccc1O ZINC001331349267 935373190 /nfs/dbraw/zinc/37/31/90/935373190.db2.gz AOJKQIXVHBTQLR-UHFFFAOYSA-N 1 0 274.339 3.339 20 10 CGCDRO CCOc1ccc2c(c1)C[N@@H+](Cc1ccc(N)cc1)CC2 ZINC001334755112 936111909 /nfs/dbraw/zinc/11/19/09/936111909.db2.gz WKAIVAFUYCZZCG-UHFFFAOYSA-N 1 0 282.387 3.226 20 10 CGCDRO CCc1cc(C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3C)[nH]n1 ZINC001337786344 936288913 /nfs/dbraw/zinc/28/89/13/936288913.db2.gz WNKMGQRTIWZFLK-RISCZKNCSA-N 1 0 285.391 3.324 20 10 CGCDRO Cc1ccc([C@H](O)C[NH2+]Cc2c(C)c3ccccc3n2C)o1 ZINC001474016751 937835784 /nfs/dbraw/zinc/83/57/84/937835784.db2.gz XMDPMWDQIXFUPP-QGZVFWFLSA-N 1 0 298.386 3.211 20 10 CGCDRO C[C@H](CC(F)(F)F)[NH2+]Cc1ccc(Cl)cc1O ZINC001474421283 937858809 /nfs/dbraw/zinc/85/88/09/937858809.db2.gz CIYHATHWUVJMQH-SSDOTTSWSA-N 1 0 267.678 3.476 20 10 CGCDRO CC[C@]1(C)C[N@H+](Cc2ccc(N(C)C)cc2C)CCO1 ZINC001474448889 937860588 /nfs/dbraw/zinc/86/05/88/937860588.db2.gz NMEKDOMLRSLLOT-QGZVFWFLSA-N 1 0 276.424 3.062 20 10 CGCDRO CC(C)c1ccc(O)c(C[N@@H+]2C[C@@H](C)N(C)C[C@H]2C)c1 ZINC001474463643 937861367 /nfs/dbraw/zinc/86/13/67/937861367.db2.gz TVUQJKMMJKDSJS-ZIAGYGMSSA-N 1 0 276.424 3.040 20 10 CGCDRO COc1cccc(C[NH2+][C@H](C)c2cc3cnccc3o2)c1O ZINC001474500173 937863112 /nfs/dbraw/zinc/86/31/12/937863112.db2.gz BTYUTFUYWGLGKN-LLVKDONJSA-N 1 0 298.342 3.393 20 10 CGCDRO Cc1cc(C[NH2+]Cc2ccc(Cl)cc2O)cc(C)n1 ZINC001474587333 937868827 /nfs/dbraw/zinc/86/88/27/937868827.db2.gz RSMXPHXCVJSUDE-UHFFFAOYSA-N 1 0 276.767 3.347 20 10 CGCDRO CCCOc1ccc(C[NH2+]C2(COC)CC2)cc1C ZINC001560372515 938255939 /nfs/dbraw/zinc/25/59/39/938255939.db2.gz OUMIMCZBZNZGPS-UHFFFAOYSA-N 1 0 263.381 3.052 20 10 CGCDRO CC(C)OC1(C[NH2+]Cc2ccc3c(c2)CCCO3)CCC1 ZINC001560578654 938263730 /nfs/dbraw/zinc/26/37/30/938263730.db2.gz BSHQJTVKOHYIIW-UHFFFAOYSA-N 1 0 289.419 3.449 20 10 CGCDRO Cc1c2ccccc2n(C)c1C[NH2+]CCN1CCC(C)(C)C1 ZINC001560616341 938265892 /nfs/dbraw/zinc/26/58/92/938265892.db2.gz ZIODRRDGSAVBRP-UHFFFAOYSA-N 1 0 299.462 3.308 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C[C@H](C)c2nc(C)cs2)c1 ZINC001560739029 938273365 /nfs/dbraw/zinc/27/33/65/938273365.db2.gz YMEARMNIDGZJNW-JTQLQIEISA-N 1 0 292.404 3.059 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)OC(C)(C)C)c(O)c1 ZINC001560756956 938274377 /nfs/dbraw/zinc/27/43/77/938274377.db2.gz BTDRPEMVHDLIRY-CQSZACIVSA-N 1 0 291.391 3.007 20 10 CGCDRO CC[C@@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2O)[C@H]1C ZINC001560772351 938274858 /nfs/dbraw/zinc/27/48/58/938274858.db2.gz VSWJGAJGXZISEA-NWDGAFQWSA-N 1 0 279.380 3.030 20 10 CGCDRO CC1(C)C[C@H](O)CC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001560832985 938278421 /nfs/dbraw/zinc/27/84/21/938278421.db2.gz UZPOBBUEXACFAF-CYBMUJFWSA-N 1 0 283.799 3.029 20 10 CGCDRO CCC(O)(CC)C(C)(C)C[NH2+]Cc1ccc(C)cc1O ZINC001560929984 938284769 /nfs/dbraw/zinc/28/47/69/938284769.db2.gz OHAUGHFRTBFMSK-UHFFFAOYSA-N 1 0 279.424 3.368 20 10 CGCDRO CCc1ccccc1C[NH2+]CCc1ccc(N)cc1 ZINC001578277288 962586595 /nfs/dbraw/zinc/58/65/95/962586595.db2.gz SAUHRNPLBVGXLT-UHFFFAOYSA-N 1 0 254.377 3.164 20 10 CGCDRO C[NH2+]CCCN(Cc1ccco1)c1ccc(OC)c(F)c1 ZINC001578687290 962596867 /nfs/dbraw/zinc/59/68/67/962596867.db2.gz UZEQHKTXTGSAFN-UHFFFAOYSA-N 1 0 292.354 3.043 20 10 CGCDRO C[C@@H]([NH2+]CCc1cscn1)c1ccc(N(C)C)cc1 ZINC000104436575 186001416 /nfs/dbraw/zinc/00/14/16/186001416.db2.gz PSSLNEVHHMPZIK-GFCCVEGCSA-N 1 0 275.421 3.102 20 10 CGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@H]1CCCCO1 ZINC000069009965 283297161 /nfs/dbraw/zinc/29/71/61/283297161.db2.gz ZHHLTOLPZMGBIG-OAHLLOKOSA-N 1 0 263.381 3.173 20 10 CGCDRO COc1ccc(CC[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC000019907371 368780102 /nfs/dbraw/zinc/78/01/02/368780102.db2.gz RFTQGDCOQPNRFO-ZDUSSCGKSA-N 1 0 271.360 3.294 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCc2ccccc2F)c1 ZINC000019912753 368782703 /nfs/dbraw/zinc/78/27/03/368782703.db2.gz XMTXKAORJOITOB-LBPRGKRZSA-N 1 0 289.350 3.433 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)CN(C)C)c1ccc(N2CCCCC2)cc1 ZINC000287132758 296146076 /nfs/dbraw/zinc/14/60/76/296146076.db2.gz RTFJHAOWBJUHRB-JKSUJKDBSA-N 1 0 289.467 3.278 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cnn(C)c1C)c1ccc(N(C)C)cc1 ZINC000090887959 370071428 /nfs/dbraw/zinc/07/14/28/370071428.db2.gz SETLBNNOCVCZQK-QGZVFWFLSA-N 1 0 286.423 3.035 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCCC[C@H]2c2ncc[nH]2)cc1C ZINC000092728989 370100294 /nfs/dbraw/zinc/10/02/94/370100294.db2.gz FCLXZRJVAVCWHV-HNNXBMFYSA-N 1 0 285.391 3.459 20 10 CGCDRO CC1(C)CCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000094266038 370166694 /nfs/dbraw/zinc/16/66/94/370166694.db2.gz IKVXROGBYWLFIT-KRWDZBQOSA-N 1 0 288.435 3.192 20 10 CGCDRO Cc1ccc([C@@H](O)C[NH2+]Cc2c(O)cccc2Cl)cc1 ZINC000113326217 370471342 /nfs/dbraw/zinc/47/13/42/370471342.db2.gz ZGFGKCBEKCIYPS-INIZCTEOSA-N 1 0 291.778 3.177 20 10 CGCDRO COc1cccc(C[NH2+][C@@H]2CCC[C@@H](SC)C2)c1O ZINC000117393861 370589513 /nfs/dbraw/zinc/58/95/13/370589513.db2.gz SBVPKJUBCSOPNJ-CHWSQXEVSA-N 1 0 281.421 3.165 20 10 CGCDRO Cc1cnc([C@H](C)[NH2+]Cc2cccc(C)c2O)s1 ZINC000135782633 371449180 /nfs/dbraw/zinc/44/91/80/371449180.db2.gz CZYZPVLJQCDOEF-NSHDSACASA-N 1 0 262.378 3.316 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1CCCSC1)c1ccccc1O ZINC000287069555 371598149 /nfs/dbraw/zinc/59/81/49/371598149.db2.gz NYJJEMNSQRTYGP-NWDGAFQWSA-N 1 0 251.395 3.186 20 10 CGCDRO CCC[N@H+](CCOC1CCC1)Cc1ccccc1O ZINC000287611056 371683337 /nfs/dbraw/zinc/68/33/37/371683337.db2.gz DRUCSRFQBGUKQT-UHFFFAOYSA-N 1 0 263.381 3.173 20 10 CGCDRO COc1cccc(C[NH2+][C@H]2c3ccccc3O[C@@H]2C)c1O ZINC000288699241 371744075 /nfs/dbraw/zinc/74/40/75/371744075.db2.gz YKCJSOKRBMNQFY-BDJLRTHQSA-N 1 0 285.343 3.013 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H](O)c1ccsc1)c1ccccc1O ZINC000155950352 371954742 /nfs/dbraw/zinc/95/47/42/371954742.db2.gz VFFFBINNLUXIRE-HIFRSBDPSA-N 1 0 277.389 3.228 20 10 CGCDRO CCC[C@H](C[NH2+][C@H](C)c1ccc(C)cc1O)OC ZINC000293643304 372434443 /nfs/dbraw/zinc/43/44/43/372434443.db2.gz JXOFRXDMXFNFDX-CHWSQXEVSA-N 1 0 251.370 3.166 20 10 CGCDRO COC1(C)CC[NH+](Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000293660764 372441053 /nfs/dbraw/zinc/44/10/53/372441053.db2.gz POPWJZHECPURSY-UHFFFAOYSA-N 1 0 287.762 3.186 20 10 CGCDRO Cc1nnsc1C[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000293978453 372544465 /nfs/dbraw/zinc/54/44/65/372544465.db2.gz BENINSZCLMKBEP-LLVKDONJSA-N 1 0 277.393 3.020 20 10 CGCDRO [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@H](O)CC1 ZINC000293985690 372545833 /nfs/dbraw/zinc/54/58/33/372545833.db2.gz LFEJEGANRWRECA-NSHDSACASA-N 1 0 290.190 3.046 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C2CCSCC2)c1 ZINC000168830800 372621654 /nfs/dbraw/zinc/62/16/54/372621654.db2.gz OVNOHQARUCQVIY-NSHDSACASA-N 1 0 251.395 3.247 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H](C)CC(C)(C)O)c(O)c1 ZINC000296284083 373079117 /nfs/dbraw/zinc/07/91/17/373079117.db2.gz FDLQIILSROKSMH-STQMWFEESA-N 1 0 265.397 3.209 20 10 CGCDRO CC(C)[C@H](O)C(C)(C)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296796755 373248983 /nfs/dbraw/zinc/24/89/83/373248983.db2.gz LIAZFPJCZVIRSF-BBRMVZONSA-N 1 0 277.408 3.012 20 10 CGCDRO COc1ccc(O)c(C[NH+]2CC3(C2)CCCCC3)c1 ZINC000297382479 373267691 /nfs/dbraw/zinc/26/76/91/373267691.db2.gz IQSCVRPSRMGXPM-UHFFFAOYSA-N 1 0 261.365 3.167 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)cc1 ZINC000298311755 373294721 /nfs/dbraw/zinc/29/47/21/373294721.db2.gz QHUNMXZCQRGNOP-LSDHHAIUSA-N 1 0 280.362 3.230 20 10 CGCDRO CC1(O)CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000179722432 373910592 /nfs/dbraw/zinc/91/05/92/373910592.db2.gz NCFWDJMBKZXLCP-UHFFFAOYSA-N 1 0 288.435 3.024 20 10 CGCDRO COC[C@H]1CCC[N@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000180199382 373976419 /nfs/dbraw/zinc/97/64/19/373976419.db2.gz NUNCKWFWRZXOCK-LBPRGKRZSA-N 1 0 283.799 3.212 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H]2CC(C)(C)OC2(C)C)c1O ZINC000181054360 374074720 /nfs/dbraw/zinc/07/47/20/374074720.db2.gz SHYGVUCTKUPCRA-CYBMUJFWSA-N 1 0 263.381 3.136 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCc2scnc2C)c1 ZINC000182465713 374277120 /nfs/dbraw/zinc/27/71/20/374277120.db2.gz BWPRZFDDGFYWMB-SNVBAGLBSA-N 1 0 292.404 3.059 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)c2ccccc2O)cn1 ZINC000183433566 374414730 /nfs/dbraw/zinc/41/47/30/374414730.db2.gz WWHWGIZXEZJASB-CQSZACIVSA-N 1 0 299.418 3.484 20 10 CGCDRO C[C@@H]([NH2+]Cc1cccc(CO)c1)c1cc(Cl)ccc1O ZINC000185372960 374651054 /nfs/dbraw/zinc/65/10/54/374651054.db2.gz COCDPEOZPUGGFY-LLVKDONJSA-N 1 0 291.778 3.389 20 10 CGCDRO CC[NH+]1CCC(CC[NH2+][C@@H](C)c2ccc(F)cc2[O-])CC1 ZINC000185563743 374688486 /nfs/dbraw/zinc/68/84/86/374688486.db2.gz YUHADRSETYTTPX-ZDUSSCGKSA-N 1 0 294.414 3.304 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1CCC[C@@H]1CCO)c1ccc(N(C)C)cc1 ZINC000187998438 375135180 /nfs/dbraw/zinc/13/51/80/375135180.db2.gz YVJOYYLSAHWFOQ-ZTFGCOKTSA-N 1 0 290.451 3.344 20 10 CGCDRO CC[C@@H]([NH2+][C@H]1CCC[C@@H]1CCO)c1ccc(N(C)C)cc1 ZINC000187998487 375135300 /nfs/dbraw/zinc/13/53/00/375135300.db2.gz YVJOYYLSAHWFOQ-OLMNPRSZSA-N 1 0 290.451 3.344 20 10 CGCDRO C[C@H]([NH2+]CCOCC(F)F)c1cc2c(cc1O)CCCC2 ZINC000188753626 375264520 /nfs/dbraw/zinc/26/45/20/375264520.db2.gz MFDZFZMYMIOEBB-NSHDSACASA-N 1 0 299.361 3.203 20 10 CGCDRO COc1ccc(O)c(C[NH2+]CCc2ccc(F)c(F)c2)c1 ZINC000191498439 375635525 /nfs/dbraw/zinc/63/55/25/375635525.db2.gz BGOWYBGVQQSQPJ-UHFFFAOYSA-N 1 0 293.313 3.011 20 10 CGCDRO C[C@H]([NH2+]CCCn1ccnc1)c1ccc2ccccc2c1O ZINC000193111831 375827688 /nfs/dbraw/zinc/82/76/88/375827688.db2.gz JZLNVOPVRDONSI-AWEZNQCLSA-N 1 0 295.386 3.483 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+]CC[C@H]2CCCOC2)c1O ZINC000529636808 375930445 /nfs/dbraw/zinc/93/04/45/375930445.db2.gz HUMWMOHUJPGKMI-GFCCVEGCSA-N 1 0 283.799 3.260 20 10 CGCDRO C[C@H]1C[N@H+](Cc2ccccc2O)[C@@H](c2ccccc2)CO1 ZINC000245617427 376870492 /nfs/dbraw/zinc/87/04/92/376870492.db2.gz PZCFKLNHUCEBPL-WMLDXEAASA-N 1 0 283.371 3.354 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000245693791 376882472 /nfs/dbraw/zinc/88/24/72/376882472.db2.gz BZOSRLXSFJAAGB-NHYWBVRUSA-N 1 0 281.783 3.047 20 10 CGCDRO CCC1(C[NH2+]Cc2ccc(N(C)C)cc2)CCOCC1 ZINC000266648162 378024334 /nfs/dbraw/zinc/02/43/34/378024334.db2.gz XDBLKIAXHKEKKH-UHFFFAOYSA-N 1 0 276.424 3.049 20 10 CGCDRO CCOc1ccc(O)c(C[N@H+](C)Cc2cccs2)c1 ZINC000271020431 378428364 /nfs/dbraw/zinc/42/83/64/378428364.db2.gz TYTRGNTXFXKWIG-UHFFFAOYSA-N 1 0 277.389 3.484 20 10 CGCDRO C[N@H+](Cc1ccccc1O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000271296215 378489614 /nfs/dbraw/zinc/48/96/14/378489614.db2.gz RFTZZUAYPKLKQR-GOSISDBHSA-N 1 0 296.414 3.099 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H]2CCO[C@@H](C(C)C)C2)c1O ZINC000271434321 378491616 /nfs/dbraw/zinc/49/16/16/378491616.db2.gz BRCYIZHUSRIIOI-GDBMZVCRSA-N 1 0 293.407 3.084 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H](C)c2cn[nH]c2)cc1 ZINC000271422175 378491675 /nfs/dbraw/zinc/49/16/75/378491675.db2.gz BZXOWGLFUBRPHI-QWHCGFSZSA-N 1 0 272.396 3.278 20 10 CGCDRO CCOc1cccc(C[NH2+][C@H]2CCO[C@@H](C(C)C)C2)c1O ZINC000271434322 378492021 /nfs/dbraw/zinc/49/20/21/378492021.db2.gz BRCYIZHUSRIIOI-GOEBONIOSA-N 1 0 293.407 3.084 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+]2CCC3(C2)CCOCC3)c1O ZINC000271763882 378502405 /nfs/dbraw/zinc/50/24/05/378502405.db2.gz FGYYNBQTPHVOLI-UHFFFAOYSA-N 1 0 295.810 3.357 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)c1 ZINC000271794296 378504861 /nfs/dbraw/zinc/50/48/61/378504861.db2.gz HRCKNABSGXABIB-CJNGLKHVSA-N 1 0 293.407 3.084 20 10 CGCDRO COc1ccc(O)c(C[N@H+]2CC=C(C(F)(F)F)CC2)c1 ZINC000271834480 378510325 /nfs/dbraw/zinc/51/03/25/378510325.db2.gz PIBROYNPYQAZMI-UHFFFAOYSA-N 1 0 287.281 3.095 20 10 CGCDRO COc1cccc(C[NH2+]C[C@H](C)c2ccc(F)cc2)c1O ZINC000271883965 378510695 /nfs/dbraw/zinc/51/06/95/378510695.db2.gz QFYFMUFEVPALCL-LBPRGKRZSA-N 1 0 289.350 3.433 20 10 CGCDRO CC(C)[C@@H](O)C1(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000271903990 378511986 /nfs/dbraw/zinc/51/19/86/378511986.db2.gz WBXXCVSJNYPSMD-RHSMWYFYSA-N 1 0 290.451 3.200 20 10 CGCDRO CC(C)[C@H](O)C1(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000271903989 378512117 /nfs/dbraw/zinc/51/21/17/378512117.db2.gz WBXXCVSJNYPSMD-PBHICJAKSA-N 1 0 290.451 3.200 20 10 CGCDRO CC[C@H]([NH2+]C[C@H](O)CCc1ccccc1)c1ccccc1O ZINC000273316329 378742661 /nfs/dbraw/zinc/74/26/61/378742661.db2.gz OJIHZUMYUMEPSY-AEFFLSMTSA-N 1 0 299.414 3.427 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCCc2cnn(C)c2)c(O)c1C ZINC000273573768 378754381 /nfs/dbraw/zinc/75/43/81/378754381.db2.gz LGSXZBHPRPELDX-CQSZACIVSA-N 1 0 287.407 3.026 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CC[S@@](=O)C(C)(C)C)c(O)c1C ZINC000273607892 378755324 /nfs/dbraw/zinc/75/53/24/378755324.db2.gz USGMCYKEDMABKY-RNODOKPDSA-N 1 0 297.464 3.207 20 10 CGCDRO C[C@@H]([NH2+][C@H](CCO)c1ccccc1)c1cc(F)ccc1O ZINC000273612131 378755995 /nfs/dbraw/zinc/75/59/95/378755995.db2.gz WIRGPACHLHKVJP-MLGOLLRUSA-N 1 0 289.350 3.306 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCNc2ccccn2)c(O)c1C ZINC000273604623 378756661 /nfs/dbraw/zinc/75/66/61/378756661.db2.gz SVBKDONNQYPHMA-CQSZACIVSA-N 1 0 285.391 3.167 20 10 CGCDRO C[C@@H]([NH2+]C1CC(N2CCCCC2)C1)c1ccccc1O ZINC000373524954 379293646 /nfs/dbraw/zinc/29/36/46/379293646.db2.gz WDJDOCPRHKKSJM-WLYUNCDWSA-N 1 0 274.408 3.060 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1CCCCN1C1CC1)c1cc(F)ccc1O ZINC000278378148 379367017 /nfs/dbraw/zinc/36/70/17/379367017.db2.gz DZCISSBPYZKVHE-DOMZBBRYSA-N 1 0 292.398 3.199 20 10 CGCDRO CC(C)n1ncc2c1C[C@@H]([NH2+][C@@H](C)c1ccccc1O)CC2 ZINC000375451029 379497389 /nfs/dbraw/zinc/49/73/89/379497389.db2.gz KHPFEHFOODDFGD-ZFWWWQNUSA-N 1 0 299.418 3.378 20 10 CGCDRO Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1O ZINC000374995743 379483196 /nfs/dbraw/zinc/48/31/96/379483196.db2.gz NPSUAPURHPVAHC-MQVJKMGUSA-N 1 0 297.402 3.036 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(F)cc1[O-] ZINC000375887845 379514780 /nfs/dbraw/zinc/51/47/80/379514780.db2.gz JUWAFARBXKMDFD-DZKIICNBSA-N 1 0 292.398 3.199 20 10 CGCDRO Oc1c(F)cccc1CN1CCC=C(Br)C1 ZINC000282439557 379919387 /nfs/dbraw/zinc/91/93/87/379919387.db2.gz ULQDIPOTFHNBNT-UHFFFAOYSA-N 1 0 286.144 3.016 20 10 CGCDRO Cc1cccc(C[NH2+][C@]2(CO)CCCc3ccccc32)c1O ZINC000282338923 379900619 /nfs/dbraw/zinc/90/06/19/379900619.db2.gz OTACVZJMGOIICF-IBGZPJMESA-N 1 0 297.398 3.014 20 10 CGCDRO CCCOc1ccc(C[NH2+]C(CC)(CC)CCO)c(O)c1 ZINC000283062721 380031811 /nfs/dbraw/zinc/03/18/11/380031811.db2.gz UBFFWKHDWTXCGS-UHFFFAOYSA-N 1 0 295.423 3.212 20 10 CGCDRO Cc1nn(C)c(C)c1C[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000283867112 380101236 /nfs/dbraw/zinc/10/12/36/380101236.db2.gz BSXMGURJGSJLTD-CYBMUJFWSA-N 1 0 287.407 3.210 20 10 CGCDRO CC[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccc(F)cc1[O-] ZINC000285972827 380155039 /nfs/dbraw/zinc/15/50/39/380155039.db2.gz GDFSBOBZSJBRPQ-HNNXBMFYSA-N 1 0 294.414 3.304 20 10 CGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H](C)CCn1cccn1 ZINC000355136216 380595385 /nfs/dbraw/zinc/59/53/85/380595385.db2.gz RAKKIRVFLDPDKN-CQSZACIVSA-N 1 0 296.418 3.252 20 10 CGCDRO COCCCCC[NH2+][C@H](C)c1ccc(C)cc1O ZINC000185233231 262047139 /nfs/dbraw/zinc/04/71/39/262047139.db2.gz WPSZRJONBMRVAJ-CYBMUJFWSA-N 1 0 251.370 3.168 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@H](C)c2cccc(O)c2)c1 ZINC000105461271 392289480 /nfs/dbraw/zinc/28/94/80/392289480.db2.gz JRACXPNFKAHAGQ-GFCCVEGCSA-N 1 0 287.359 3.347 20 10 CGCDRO CCOc1cccc(C[N@H+](C)[C@@H](C)C(C)C)c1O ZINC000132237574 392460001 /nfs/dbraw/zinc/46/00/01/392460001.db2.gz YEYRGHIFXUKVGD-LBPRGKRZSA-N 1 0 251.370 3.267 20 10 CGCDRO C[C@H]([NH2+][C@@H](CO)Cc1ccccc1)c1ccc(N(C)C)cc1 ZINC000158268008 392561875 /nfs/dbraw/zinc/56/18/75/392561875.db2.gz ZOGCRDHKRRVTTH-MAUKXSAKSA-N 1 0 298.430 3.007 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CCO[C@H](c2cccs2)C1 ZINC000179564485 392702194 /nfs/dbraw/zinc/70/21/94/392702194.db2.gz PXSUCAKSQBALEU-AWEZNQCLSA-N 1 0 275.373 3.027 20 10 CGCDRO C[C@H]1C[N@H+](Cc2ccccc2O)[C@H](c2ccccc2)CO1 ZINC000179579924 392704478 /nfs/dbraw/zinc/70/44/78/392704478.db2.gz PZCFKLNHUCEBPL-YOEHRIQHSA-N 1 0 283.371 3.354 20 10 CGCDRO [O-]c1c(F)cccc1C[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000361070498 393664379 /nfs/dbraw/zinc/66/43/79/393664379.db2.gz WYEQLEKLOCLQFQ-HNNXBMFYSA-N 1 0 287.334 3.185 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H](CC(C)C)N(C)C)c1ccccc1O ZINC000020201588 171065567 /nfs/dbraw/zinc/06/55/67/171065567.db2.gz ZYBBJTCPBOYPLG-GDBMZVCRSA-N 1 0 278.440 3.409 20 10 CGCDRO COCC(C)(C)C[NH2+]Cc1c(C)c2ccccc2n1C ZINC000313456888 260295699 /nfs/dbraw/zinc/29/56/99/260295699.db2.gz CSGKHNMAGVQISI-UHFFFAOYSA-N 1 0 274.408 3.249 20 10 CGCDRO CC[C@@H]([NH2+]CCC(=O)Nc1ccccc1)c1ccccc1O ZINC000155818821 261107951 /nfs/dbraw/zinc/10/79/51/261107951.db2.gz BZCVLKTWWWPJER-MRXNPFEDSA-N 1 0 298.386 3.462 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@]1(C)CCCC[C@@H]1O)c1ccccc1O ZINC000156214115 261116694 /nfs/dbraw/zinc/11/66/94/261116694.db2.gz SODWGDUFNIXXMF-HYVNUMGLSA-N 1 0 277.408 3.374 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H](O)c1cccc(C)c1)c1ccccc1O ZINC000156760747 261131776 /nfs/dbraw/zinc/13/17/76/261131776.db2.gz RBAXEUAYPUQNQN-SJLPKXTDSA-N 1 0 285.387 3.475 20 10 CGCDRO CC[C@@H]([NH2+]C[C@]1(O)CCc2ccccc21)c1ccccc1O ZINC000156887084 261134573 /nfs/dbraw/zinc/13/45/73/261134573.db2.gz QXQISAWOVAYMGI-IEBWSBKVSA-N 1 0 297.398 3.267 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CCO[C@H](C2CC2)C1)c1ccccc1O ZINC000157892356 261154892 /nfs/dbraw/zinc/15/48/92/261154892.db2.gz WXAGJGFVKDYSNM-FFSVYQOJSA-N 1 0 261.365 3.000 20 10 CGCDRO C[C@H]([NH2+]CC(C)(C)O)c1ccc(N2CCCCCC2)cc1 ZINC000160624569 261220731 /nfs/dbraw/zinc/22/07/31/261220731.db2.gz FAFSLUTWXTTYQA-HNNXBMFYSA-N 1 0 290.451 3.489 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1ccc(N(C)C)cc1 ZINC000161938220 261263738 /nfs/dbraw/zinc/26/37/38/261263738.db2.gz YEMQAFSMEWYGIL-ZFVVBOAOSA-N 1 0 288.435 3.217 20 10 CGCDRO C[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1cc(F)ccc1O ZINC000184945282 262035132 /nfs/dbraw/zinc/03/51/32/262035132.db2.gz IHBIGCVJXOIEQL-QFYYESIMSA-N 1 0 293.313 3.055 20 10 CGCDRO CC[C@H](C[NH2+][C@@H](C)c1cc(F)ccc1O)N1CCCC1 ZINC000184991181 262036301 /nfs/dbraw/zinc/03/63/01/262036301.db2.gz OQRGBONKVAEHRI-GXTWGEPZSA-N 1 0 280.387 3.056 20 10 CGCDRO Cc1ccc([C@@H](O)C[NH2+][C@@H](C)c2ccc(C)cc2O)cc1 ZINC000185099112 262041363 /nfs/dbraw/zinc/04/13/63/262041363.db2.gz INPPXXZOCGFBFM-KSSFIOAISA-N 1 0 285.387 3.393 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1CCCOC1)c1cc(Cl)ccc1O ZINC000185089728 262041380 /nfs/dbraw/zinc/04/13/80/262041380.db2.gz FAFHOTCUGOJTBD-WDEREUQCSA-N 1 0 269.772 3.123 20 10 CGCDRO Cc1ccc([C@H](O)C[NH2+][C@@H](C)c2cc(C)ccc2O)cc1 ZINC000185098799 262041494 /nfs/dbraw/zinc/04/14/94/262041494.db2.gz CFYSPTHCKLJTSK-KBXCAEBGSA-N 1 0 285.387 3.393 20 10 CGCDRO C[C@@H]([NH2+]C[C@H](O)C1CCCCC1)c1cc(F)ccc1O ZINC000185328394 262050643 /nfs/dbraw/zinc/05/06/43/262050643.db2.gz WKTFOBBHRRBWPT-BZNIZROVSA-N 1 0 281.371 3.123 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@H](C3CC3)C2)c(O)c1 ZINC000185317406 262050683 /nfs/dbraw/zinc/05/06/83/262050683.db2.gz HYPURFQDIAWEFZ-QEORTHHSSA-N 1 0 275.392 3.309 20 10 CGCDRO Cc1noc(C)c1CC[NH2+][C@H](C)c1ccc(C)cc1O ZINC000185396098 262052810 /nfs/dbraw/zinc/05/28/10/262052810.db2.gz GBDVCEDJUYQQCU-LLVKDONJSA-N 1 0 274.364 3.199 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCC(=O)Nc2ccccc2)c1 ZINC000185443358 262054262 /nfs/dbraw/zinc/05/42/62/262054262.db2.gz ZCWSWOIXWAJGLI-CQSZACIVSA-N 1 0 298.386 3.380 20 10 CGCDRO C[C@H]([NH2+]CCCC(C)(C)CO)c1cc(Cl)ccc1O ZINC000185537209 262059410 /nfs/dbraw/zinc/05/94/10/262059410.db2.gz NCQPZQISALAQBO-NSHDSACASA-N 1 0 285.815 3.495 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](CCO)CC(C)C)c1 ZINC000185614926 262062296 /nfs/dbraw/zinc/06/22/96/262062296.db2.gz BLRSEENTWBUOKV-KBPBESRZSA-N 1 0 295.423 3.096 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]3OCC[C@@H]32)c(O)c1 ZINC000185773315 262069797 /nfs/dbraw/zinc/06/97/97/262069797.db2.gz MCIFFHNQRQJBDW-DPAVQSFQSA-N 1 0 275.392 3.309 20 10 CGCDRO Cc1cccc([C@@H](O)C[NH2+][C@H](C)c2ccc(C)cc2O)c1 ZINC000186124895 262081123 /nfs/dbraw/zinc/08/11/23/262081123.db2.gz XFMWPXDQWRDTIV-KDOFPFPSSA-N 1 0 285.387 3.393 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCN(c3ccccn3)C2)c1 ZINC000186171229 262082414 /nfs/dbraw/zinc/08/24/14/262082414.db2.gz LFPOQBHVZZWEAN-LSDHHAIUSA-N 1 0 297.402 3.025 20 10 CGCDRO CC(C)[C@@H](O)C(C)(C)C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000186174953 262082706 /nfs/dbraw/zinc/08/27/06/262082706.db2.gz CZIJLTMOEBMDTO-XHDPSFHLSA-N 1 0 283.387 3.225 20 10 CGCDRO CC(C)OCC[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000186634520 262103233 /nfs/dbraw/zinc/10/32/33/262103233.db2.gz HJQXLNBNZBADPF-JTQLQIEISA-N 1 0 257.761 3.121 20 10 CGCDRO C[C@@H]([NH2+]CCOCc1ccccc1)c1cc(F)ccc1O ZINC000185633286 262306604 /nfs/dbraw/zinc/30/66/04/262306604.db2.gz KEJRBZLHEPGBNJ-CYBMUJFWSA-N 1 0 289.350 3.399 20 10 CGCDRO CCc1nn(C)c(CC)c1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296272128 263188875 /nfs/dbraw/zinc/18/88/75/263188875.db2.gz BYUKKRMNUHEKAW-HNNXBMFYSA-N 1 0 299.418 3.028 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccccc1O)c1ccc2c(c1)CCC(=O)N2 ZINC000299551544 263246578 /nfs/dbraw/zinc/24/65/78/263246578.db2.gz LBSBOMQHURTCOI-GFCCVEGCSA-N 1 0 296.370 3.128 20 10 CGCDRO C[C@H]([NH2+]C[C@@]1(C)CCO[C@@H]1C1CC1)c1ccccc1O ZINC000372096211 267510630 /nfs/dbraw/zinc/51/06/30/267510630.db2.gz RHQDZMTWJRMABO-JCURWCKSSA-N 1 0 275.392 3.248 20 10 CGCDRO CC[C@H]([NH2+]CCCC[NH+](C)C)c1cccc(Cl)c1[O-] ZINC000287801012 288039408 /nfs/dbraw/zinc/03/94/08/288039408.db2.gz UCXDMNZLGJYSHY-AWEZNQCLSA-N 1 0 284.831 3.428 20 10 CGCDRO Cc1ccccc1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296042595 281344498 /nfs/dbraw/zinc/34/44/98/281344498.db2.gz QRHCFNXEOWOJOU-HNNXBMFYSA-N 1 0 253.345 3.478 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCc2cn3ccccc3n2)c(O)c1 ZINC000184969924 327835611 /nfs/dbraw/zinc/83/56/11/327835611.db2.gz UDONQLDCSPYPMK-AWEZNQCLSA-N 1 0 295.386 3.242 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CSCCS2)c1 ZINC000168817927 329059560 /nfs/dbraw/zinc/05/95/60/329059560.db2.gz ZPFWKYXLEXFHRO-RYUDHWBXSA-N 1 0 283.462 3.200 20 10 CGCDRO COCC[C@H]([NH2+][C@@H](C)c1ccccc1O)c1ccco1 ZINC000272862806 328201119 /nfs/dbraw/zinc/20/11/19/328201119.db2.gz NDJBPUAEYJSGRQ-JSGCOSHPSA-N 1 0 275.348 3.414 20 10 CGCDRO Oc1ccccc1C[NH2+]C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000377399756 329014157 /nfs/dbraw/zinc/01/41/57/329014157.db2.gz DTKXSPDVKHBBRE-SJLPKXTDSA-N 1 0 283.371 3.402 20 10 CGCDRO CCC[C@@]1(CO)CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000377840219 329031352 /nfs/dbraw/zinc/03/13/52/329031352.db2.gz QCWJEOOYQFOAAO-OAHLLOKOSA-N 1 0 283.799 3.030 20 10 CGCDRO Cc1cccc(C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)c1O ZINC000378624233 329056842 /nfs/dbraw/zinc/05/68/42/329056842.db2.gz MYOWYYSIGMYKGJ-INIZCTEOSA-N 1 0 282.387 3.160 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)c1 ZINC000378627991 329057008 /nfs/dbraw/zinc/05/70/08/329057008.db2.gz BYSPWJLVEQUETA-INIZCTEOSA-N 1 0 282.387 3.160 20 10 CGCDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)c1ccccc1O ZINC000378641625 329057774 /nfs/dbraw/zinc/05/77/74/329057774.db2.gz ZAZDTXHYDRXYMP-DDUYRFODSA-N 1 0 275.392 3.246 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c(O)c1 ZINC000184429178 329257947 /nfs/dbraw/zinc/25/79/47/329257947.db2.gz PWAIVPGLGOSMQN-SDNTUTLCSA-N 1 0 287.403 3.309 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC[C@@H]2CCCOC2)c1 ZINC000527925136 330296472 /nfs/dbraw/zinc/29/64/72/330296472.db2.gz IBZLCBBRPUXCCW-KGLIPLIRSA-N 1 0 263.381 3.168 20 10 CGCDRO CC[C@@H]([NH2+]CCc1ccc(OC)nc1)c1ccccc1O ZINC000527991026 330299240 /nfs/dbraw/zinc/29/92/40/330299240.db2.gz UDMGTVMGHLRYKZ-OAHLLOKOSA-N 1 0 286.375 3.079 20 10 CGCDRO CCOc1cccc(C[NH2+]C2Cc3ccccc3C2)c1O ZINC000231032155 333323788 /nfs/dbraw/zinc/32/37/88/333323788.db2.gz CUTBHXQQHDYIBU-UHFFFAOYSA-N 1 0 283.371 3.048 20 10 CGCDRO COCCC1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000529638660 333502634 /nfs/dbraw/zinc/50/26/34/333502634.db2.gz UHBNYGPEXQHKJQ-UHFFFAOYSA-N 1 0 283.799 3.294 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1ccc(N(C)C)cc1 ZINC000268851928 334717507 /nfs/dbraw/zinc/71/75/07/334717507.db2.gz WPYLIQNQANLMAY-CXAGYDPISA-N 1 0 298.434 3.214 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C[C@]2(C)CCCS2)cc1 ZINC000126527598 522207911 /nfs/dbraw/zinc/20/79/11/522207911.db2.gz ZGJWWMFFWOESIF-HNNXBMFYSA-N 1 0 264.438 3.128 20 10 CGCDRO CC[C@@H](CCO)C[NH2+][C@@H](CC)c1ccc(C)cc1O ZINC000279974161 522510229 /nfs/dbraw/zinc/51/02/29/522510229.db2.gz DFNXFXTYNYCAPR-ZFWWWQNUSA-N 1 0 265.397 3.150 20 10 CGCDRO CC(C)C[C@@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)cc2)CCO1 ZINC000271979947 519279920 /nfs/dbraw/zinc/27/99/20/519279920.db2.gz JNDRBIMNNTULHT-SJLPKXTDSA-N 1 0 290.451 3.436 20 10 CGCDRO CCCC(O)(CCC)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297547112 519886606 /nfs/dbraw/zinc/88/66/06/519886606.db2.gz FLFHEPXBSQZETK-CQSZACIVSA-N 1 0 277.408 3.300 20 10 CGCDRO CC1(C)C[N@H+](Cc2ccccc2O)[C@@H]1c1cccnc1 ZINC000292870146 520482690 /nfs/dbraw/zinc/48/26/90/520482690.db2.gz WJOIDOZNLHDBAD-MRXNPFEDSA-N 1 0 268.360 3.370 20 10 CGCDRO CCCC[N@H+](Cc1cc(C)ncn1)Cc1ccccc1O ZINC000292756299 520545121 /nfs/dbraw/zinc/54/51/21/520545121.db2.gz HXRXPAYIRWBYGT-UHFFFAOYSA-N 1 0 285.391 3.293 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCC[C@H]2CCO)cc1 ZINC000189967158 520910313 /nfs/dbraw/zinc/91/03/13/520910313.db2.gz FQTKRHXVJHGYDY-WMZOPIPTSA-N 1 0 290.451 3.174 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](CSC)C2)c1O ZINC000292869742 521337852 /nfs/dbraw/zinc/33/78/52/521337852.db2.gz WGFFVFWDVYLINT-CYBMUJFWSA-N 1 0 295.448 3.366 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c1O ZINC000292840934 521346113 /nfs/dbraw/zinc/34/61/13/521346113.db2.gz SCYKBBJBBXONNJ-HIFRSBDPSA-N 1 0 297.345 3.268 20 10 CGCDRO CCCN(Cc1csc(C)n1)c1ccc(C[NH3+])cc1 ZINC000194979533 521693194 /nfs/dbraw/zinc/69/31/94/521693194.db2.gz OFIGQHAVYHZASO-UHFFFAOYSA-N 1 0 275.421 3.327 20 10 CGCDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000049092548 521820401 /nfs/dbraw/zinc/82/04/01/521820401.db2.gz QZNOMGORZTWBEH-LSDHHAIUSA-N 1 0 276.424 3.047 20 10 CGCDRO CC[C@H](CSC)[N@H+](C)Cc1cccc(C)c1O ZINC000290310358 522269486 /nfs/dbraw/zinc/26/94/86/522269486.db2.gz CDCWSMDWPONGOS-CYBMUJFWSA-N 1 0 253.411 3.274 20 10 CGCDRO COC[C@@H]1CC[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000293729717 522483306 /nfs/dbraw/zinc/48/33/06/522483306.db2.gz UTMJVCANYVLNPA-KRWDZBQOSA-N 1 0 283.371 3.280 20 10 CGCDRO CC[C@H]([NH2+]CC[C@@H](C)OC)c1ccc(N(C)C)cc1 ZINC000268808945 522598185 /nfs/dbraw/zinc/59/81/85/522598185.db2.gz CRGABDYQFNJHPJ-CJNGLKHVSA-N 1 0 264.413 3.218 20 10 CGCDRO CC[C@H]([NH2+][C@H](CO)c1ccc(F)cc1)c1ccccc1O ZINC000274913303 522747434 /nfs/dbraw/zinc/74/74/34/522747434.db2.gz NPDRUWYYARJCSV-JKSUJKDBSA-N 1 0 289.350 3.306 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCN2CCCC[C@H]12)c1ccc(C)cc1O ZINC000280097519 522757332 /nfs/dbraw/zinc/75/73/32/522757332.db2.gz MWFKXBSMKAJKEV-YESZJQIVSA-N 1 0 288.435 3.368 20 10 CGCDRO CCc1noc(C)c1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC000292830178 522846910 /nfs/dbraw/zinc/84/69/10/522846910.db2.gz AKWZNPUAIVOYQX-UHFFFAOYSA-N 1 0 274.364 3.152 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cccc(CO)c1)c1ccc(C)cc1O ZINC000280295986 522881719 /nfs/dbraw/zinc/88/17/19/522881719.db2.gz ZOEVNRJQIFQSNV-QGZVFWFLSA-N 1 0 285.387 3.434 20 10 CGCDRO CC[C@@H]([NH2+][C@H]1CCCc2c1cnn2C)c1ccccc1O ZINC000037087291 522949450 /nfs/dbraw/zinc/94/94/50/522949450.db2.gz KNPBGZZQBPRDDH-CABCVRRESA-N 1 0 285.391 3.244 20 10 CGCDRO COc1ccc(C[NH2+]CC2CC(F)(F)C2)cc1C ZINC000291759770 524069846 /nfs/dbraw/zinc/06/98/46/524069846.db2.gz RIBGHCLHOHNTLG-UHFFFAOYSA-N 1 0 255.308 3.139 20 10 CGCDRO C[C@H](CCO)C[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000097435905 524208062 /nfs/dbraw/zinc/20/80/62/524208062.db2.gz JYGOSWYTKZQXJX-OLZOCXBDSA-N 1 0 273.376 3.215 20 10 CGCDRO C[C@H](CN1CCCCC1)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000094617552 524333235 /nfs/dbraw/zinc/33/32/35/524333235.db2.gz FECUAQHEDGALFF-CHWSQXEVSA-N 1 0 280.387 3.056 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCC[C@H]2c2ccncc2)c1O ZINC000289681197 524395867 /nfs/dbraw/zinc/39/58/67/524395867.db2.gz DZMAYRHKKNPFGE-INIZCTEOSA-N 1 0 268.360 3.433 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCCc3occc3C2)c1O ZINC000290182007 524397401 /nfs/dbraw/zinc/39/74/01/524397401.db2.gz NWSIZOUJQONUSL-UHFFFAOYSA-N 1 0 257.333 3.242 20 10 CGCDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1)N(C)C ZINC000268827980 524747516 /nfs/dbraw/zinc/74/75/16/524747516.db2.gz BNWZSABYFYGLGY-HOTGVXAUSA-N 1 0 289.467 3.278 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCC(F)(F)C2)c1 ZINC000281080591 524772865 /nfs/dbraw/zinc/77/28/65/524772865.db2.gz JGYSDOFJOVKRBI-QWRGUYRKSA-N 1 0 285.334 3.487 20 10 CGCDRO Cc1cc(F)ccc1C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000050569221 524978463 /nfs/dbraw/zinc/97/84/63/524978463.db2.gz QJHBHIBCIFKLLY-UHFFFAOYSA-N 1 0 272.367 3.490 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC(F)(F)[C@@H](C)C2)cc1C ZINC000291710063 525315690 /nfs/dbraw/zinc/31/56/90/525315690.db2.gz ZTKJCSDPUBOAGK-LBPRGKRZSA-N 1 0 269.335 3.486 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCCc3[nH]c(=O)ccc32)cc1C ZINC000266245607 525323614 /nfs/dbraw/zinc/32/36/14/525323614.db2.gz YUGSZUAGSFKJQY-HNNXBMFYSA-N 1 0 298.386 3.277 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)[C@H](O)c2ccccc2)c1 ZINC000290522515 525364707 /nfs/dbraw/zinc/36/47/07/525364707.db2.gz ZAKSUJMBEWMTNU-IYOUNJFTSA-N 1 0 285.387 3.473 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1CCOC1)c1ccc(N2CCCCC2)cc1 ZINC000268883805 525418122 /nfs/dbraw/zinc/41/81/22/525418122.db2.gz YKXINGCSNVYDQL-JKSUJKDBSA-N 1 0 288.435 3.364 20 10 CGCDRO C[C@@H]([NH2+]Cc1cc(Br)ccc1O)C1CC1 ZINC000163754997 525510609 /nfs/dbraw/zinc/51/06/09/525510609.db2.gz YNHSIMSAOAKGPI-MRVPVSSYSA-N 1 0 270.170 3.043 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCc2ccc(O)cc2)c(O)c1 ZINC000040735704 525919743 /nfs/dbraw/zinc/91/97/43/525919743.db2.gz LZXZEEXUFFVHBZ-ZDUSSCGKSA-N 1 0 271.360 3.300 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H](CO)C2CCCC2)c(O)c1C ZINC000290118928 525944014 /nfs/dbraw/zinc/94/40/14/525944014.db2.gz JDHNVHNBMNXENJ-XJKSGUPXSA-N 1 0 277.408 3.211 20 10 CGCDRO COc1cccc(C[NH2+]C2CCC(C(F)F)CC2)c1O ZINC000289552715 526011344 /nfs/dbraw/zinc/01/13/44/526011344.db2.gz XULCZTLPFJWFDH-UHFFFAOYSA-N 1 0 285.334 3.314 20 10 CGCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]C[C@H]1CC[C@@H](O)C1 ZINC000276749391 526337706 /nfs/dbraw/zinc/33/77/06/526337706.db2.gz SSBWGKWDECJUHV-KBXCAEBGSA-N 1 0 297.398 3.310 20 10 CGCDRO Cn1cc(C[N@H+](Cc2ccccc2O)C2CCCCC2)cn1 ZINC000070977043 527196204 /nfs/dbraw/zinc/19/62/04/527196204.db2.gz PFHFNZXWZKLLQJ-UHFFFAOYSA-N 1 0 299.418 3.461 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2C[C@H]2C)cc1F ZINC000740003901 572427716 /nfs/dbraw/zinc/42/77/16/572427716.db2.gz ASOJOGMJZXFMPI-TZMCWYRMSA-N 1 0 264.388 3.418 20 10 CGCDRO OCC[C@H]([NH2+]Cc1c(O)cccc1Cl)c1cccs1 ZINC000740900448 572467847 /nfs/dbraw/zinc/46/78/47/572467847.db2.gz PXJMMSOYGYKPHL-LBPRGKRZSA-N 1 0 297.807 3.320 20 10 CGCDRO C[C@@](O)(C[NH2+]Cc1cc(-c2ccccc2)ccc1O)C1CC1 ZINC000732668282 572476888 /nfs/dbraw/zinc/47/68/88/572476888.db2.gz FFNWCZBQRDFSAB-LJQANCHMSA-N 1 0 297.398 3.310 20 10 CGCDRO COc1ccc(N2CCC([NH2+][C@H]3CC[C@@H](C)C3)CC2)cc1 ZINC000742369709 572568689 /nfs/dbraw/zinc/56/86/89/572568689.db2.gz OUSOJIVQEQXBRV-ZBFHGGJFSA-N 1 0 288.435 3.442 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)Cc2cnccn2)cc1 ZINC000742723740 572612166 /nfs/dbraw/zinc/61/21/66/572612166.db2.gz LFPWJOYLJXWHLS-OAHLLOKOSA-N 1 0 298.434 3.044 20 10 CGCDRO CCCN(CCC)c1ccc(C[NH2+][C@@H](CO)C2CC2)cc1 ZINC000734164062 572637497 /nfs/dbraw/zinc/63/74/97/572637497.db2.gz IQNUPKNXSSAVRV-SFHVURJKSA-N 1 0 290.451 3.174 20 10 CGCDRO COC[C@@H](Cc1ccccc1)[NH2+]Cc1cc(C)c(C)cc1O ZINC000747100879 572910050 /nfs/dbraw/zinc/91/00/50/572910050.db2.gz XCMCJWQBXUYVHV-GOSISDBHSA-N 1 0 299.414 3.356 20 10 CGCDRO CCOCc1cc(C[NH2+]CC2(C)CC2)ccc1OC ZINC000748099563 572960276 /nfs/dbraw/zinc/96/02/76/572960276.db2.gz XODFTYJXPBDTHK-UHFFFAOYSA-N 1 0 263.381 3.121 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C2C[C@@H](C)C[C@H](C)C2)c1 ZINC000084972047 617957003 /nfs/dbraw/zinc/95/70/03/617957003.db2.gz PIJLBBMPLVOXIG-RYUDHWBXSA-N 1 0 263.381 3.315 20 10 CGCDRO COCc1ccc(C[NH2+]Cc2ccc(N(C)C)cc2)cc1 ZINC000073651090 617965656 /nfs/dbraw/zinc/96/56/56/617965656.db2.gz BITQKUUNAJPGMY-UHFFFAOYSA-N 1 0 284.403 3.189 20 10 CGCDRO COc1cccc(C[NH2+][C@]2(C)CCCC[C@H]2C)c1O ZINC000308697122 618350982 /nfs/dbraw/zinc/35/09/82/618350982.db2.gz GBOWFMAEXFGHKA-MLGOLLRUSA-N 1 0 263.381 3.459 20 10 CGCDRO CCC[N@@H+](Cc1cccc(OC)c1O)C[C@@H]1CCCCO1 ZINC000093132449 618396138 /nfs/dbraw/zinc/39/61/38/618396138.db2.gz PCHRVTOBQPYWGK-HNNXBMFYSA-N 1 0 293.407 3.182 20 10 CGCDRO C[C@@H]([NH2+]CCCCn1ccnc1)c1ccc(N(C)C)cc1 ZINC000045106155 618619210 /nfs/dbraw/zinc/61/92/10/618619210.db2.gz LGAFFEAGBQIJJL-OAHLLOKOSA-N 1 0 286.423 3.080 20 10 CGCDRO C[C@@H]1C[C@H](C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)[C@@H](C)O1 ZINC000840871089 618732247 /nfs/dbraw/zinc/73/22/47/618732247.db2.gz BLVFLKCZXGMCRA-CBLPJQPBSA-N 1 0 293.382 3.483 20 10 CGCDRO C[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccccc1O ZINC000179579829 618796342 /nfs/dbraw/zinc/79/63/42/618796342.db2.gz NZHNJMDYJJMNOM-ZDUSSCGKSA-N 1 0 253.345 3.339 20 10 CGCDRO CCCCC[C@@H](C)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000892478624 618802193 /nfs/dbraw/zinc/80/21/93/618802193.db2.gz MOWCRUUORBFVIL-GFCCVEGCSA-N 1 0 281.396 3.468 20 10 CGCDRO COCC1CCC([NH2+][C@H](C)c2cc(F)ccc2O)CC1 ZINC000840879373 618803013 /nfs/dbraw/zinc/80/30/13/618803013.db2.gz FNSYJIJTTDQVKB-LKSINWNRSA-N 1 0 281.371 3.387 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)[C@@H]2CC2(F)F)c1 ZINC000840879963 618811510 /nfs/dbraw/zinc/81/15/10/618811510.db2.gz VDCXBUQRLMRXJH-AUTRQRHGSA-N 1 0 271.307 3.095 20 10 CGCDRO C[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)C1CCCCC1 ZINC000052334395 618823497 /nfs/dbraw/zinc/82/34/97/618823497.db2.gz FWPJOYHETCEYHI-NSHDSACASA-N 1 0 277.364 3.179 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)C1(Br)CC1 ZINC000924575275 618858266 /nfs/dbraw/zinc/85/82/66/618858266.db2.gz UEWJWUHTQQETDJ-NSHDSACASA-N 1 0 297.240 3.158 20 10 CGCDRO COC1([C@H](C)[NH2+][C@H](C)c2cc(C)ccc2O)CCC1 ZINC000840884917 618876690 /nfs/dbraw/zinc/87/66/90/618876690.db2.gz RQUPEIZLUUOZGI-OLZOCXBDSA-N 1 0 263.381 3.309 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@@H]1CCSC1 ZINC000840892546 618925526 /nfs/dbraw/zinc/92/55/26/618925526.db2.gz ASXTUEGTSAJSSE-UKRRQHHQSA-N 1 0 278.465 3.087 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]C1CC(C)C1 ZINC000840893359 618934838 /nfs/dbraw/zinc/93/48/38/618934838.db2.gz IVQIRHHFEPRPDY-CXOJTPOUSA-N 1 0 260.425 3.380 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@H]2CCC[C@@H](CO)C2)c(O)c1 ZINC000840893619 618938212 /nfs/dbraw/zinc/93/82/12/618938212.db2.gz JJYVAUJXAJKMSH-ZNMIVQPWSA-N 1 0 277.408 3.211 20 10 CGCDRO Cc1nc(C[NH2+]CCCSc2nccs2)sc1C ZINC000893043942 618983601 /nfs/dbraw/zinc/98/36/01/618983601.db2.gz BLOOOOIEDLZEAD-UHFFFAOYSA-N 1 0 299.490 3.488 20 10 CGCDRO COC[C@H](C)C[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000185149023 625312110 /nfs/dbraw/zinc/31/21/10/625312110.db2.gz IFIAMWBBSUHLKR-CHWSQXEVSA-N 1 0 277.408 3.204 20 10 CGCDRO COC[C@H](C)C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000185148983 625312645 /nfs/dbraw/zinc/31/26/45/625312645.db2.gz IFIAMWBBSUHLKR-OLZOCXBDSA-N 1 0 277.408 3.204 20 10 CGCDRO CC1(C)SC[C@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000309754032 619050330 /nfs/dbraw/zinc/05/03/30/619050330.db2.gz HHNWMIKLUFIVLO-LLVKDONJSA-N 1 0 257.786 3.029 20 10 CGCDRO C[C@@H]([NH2+]CCc1cn(C)cn1)c1ccc2ccccc2c1O ZINC000313247970 619165382 /nfs/dbraw/zinc/16/53/82/619165382.db2.gz BHPXNFICFOBONA-CYBMUJFWSA-N 1 0 295.386 3.172 20 10 CGCDRO CC[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)CCS1 ZINC000093501887 619202054 /nfs/dbraw/zinc/20/20/54/619202054.db2.gz WHCIZQYSESBQDO-OAHLLOKOSA-N 1 0 264.438 3.080 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CCS[C@@H](C)[C@@H]2C)c1 ZINC000093501507 619202270 /nfs/dbraw/zinc/20/22/70/619202270.db2.gz CQQYPODWKRUDND-RYUDHWBXSA-N 1 0 281.421 3.117 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@]1(C)CCCC[C@@H]1O ZINC000840935806 619227027 /nfs/dbraw/zinc/22/70/27/619227027.db2.gz ZCXFZBUSSYLTAR-ROUUACIJSA-N 1 0 290.451 3.092 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@H+]1CCCC[C@@H]1C[C@@H](C)O ZINC000840940597 619232652 /nfs/dbraw/zinc/23/26/52/619232652.db2.gz HPBLLUGLXTYXDF-CRAIPNDOSA-N 1 0 290.451 3.186 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc(CO)cc2)cc1 ZINC000318792302 619273276 /nfs/dbraw/zinc/27/32/76/619273276.db2.gz KSIDXELXAAHKGB-UHFFFAOYSA-N 1 0 298.430 3.315 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H]1CSC[C@H]1C ZINC000840977605 619309224 /nfs/dbraw/zinc/30/92/24/619309224.db2.gz WMAIDPZEWHMRED-KEYYUXOJSA-N 1 0 292.492 3.333 20 10 CGCDRO COc1cc(C)cc(C[NH2+]C[C@H]2CCCCS2)c1O ZINC000894441553 619532986 /nfs/dbraw/zinc/53/29/86/619532986.db2.gz BWTSKNMVVQSZKW-CYBMUJFWSA-N 1 0 281.421 3.085 20 10 CGCDRO CCN1CCCC[C@H]1C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000185418262 625356630 /nfs/dbraw/zinc/35/66/30/625356630.db2.gz RSCGODSYUOKLEJ-JSGCOSHPSA-N 1 0 280.387 3.056 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@@H]2CC23CCCC3)c1O ZINC000894562267 619575333 /nfs/dbraw/zinc/57/53/33/619575333.db2.gz GUNFKFSFGJHBNQ-CQSZACIVSA-N 1 0 261.365 3.132 20 10 CGCDRO COc1ccnc([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2C)c1 ZINC000925081980 619643875 /nfs/dbraw/zinc/64/38/75/619643875.db2.gz SSMNMPGKIPXMID-AWEZNQCLSA-N 1 0 299.418 3.315 20 10 CGCDRO C[C@H]([NH2+]C1CC2(C1)CO[C@@H](C)C2)c1ccccc1O ZINC000895131109 619745069 /nfs/dbraw/zinc/74/50/69/619745069.db2.gz TXIWIXVMOMKWER-HSWOEZIZSA-N 1 0 261.365 3.000 20 10 CGCDRO COc1cc(C)cc(C[NH2+]CC[C@]2(C)CC2(F)F)c1O ZINC000895273912 619793646 /nfs/dbraw/zinc/79/36/46/619793646.db2.gz LGLMNJXVYQOGGF-CQSZACIVSA-N 1 0 285.334 3.234 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H](C2CC2)C2CCC2)c1O ZINC000325049814 625374258 /nfs/dbraw/zinc/37/42/58/625374258.db2.gz PAQJOBCYCKMMNP-MRXNPFEDSA-N 1 0 275.392 3.459 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000895842747 619892729 /nfs/dbraw/zinc/89/27/29/619892729.db2.gz FHVOESFPFMKNRL-XHDPSFHLSA-N 1 0 281.783 3.047 20 10 CGCDRO Cc1ccc(CN[C@H]2c3ccccc3OC[C@@H]2F)c(O)c1 ZINC000896423736 620007115 /nfs/dbraw/zinc/00/71/15/620007115.db2.gz KWDAPWQXDLCSGX-YOEHRIQHSA-N 1 0 287.334 3.262 20 10 CGCDRO Cc1cccc(C[NH2+]Cc2c(C)cc(CO)cc2C)c1O ZINC000896562435 620027103 /nfs/dbraw/zinc/02/71/03/620027103.db2.gz WQJCXCRRUSXVCI-UHFFFAOYSA-N 1 0 285.387 3.100 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C(C)(C)/C=C/Cl)c1 ZINC000896747764 620055630 /nfs/dbraw/zinc/05/56/30/620055630.db2.gz OUFZSFIDLCBSHU-VOTSOKGWSA-N 1 0 255.745 3.022 20 10 CGCDRO Cc1cccc(C[NH2+]CC[C@H]2OCCc3ccccc32)c1O ZINC000897235607 620167666 /nfs/dbraw/zinc/16/76/66/620167666.db2.gz ZUMJZCCUPKMXNU-GOSISDBHSA-N 1 0 297.398 3.494 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000897267753 620174834 /nfs/dbraw/zinc/17/48/34/620174834.db2.gz OYFQNGLPAQQTHA-OAHLLOKOSA-N 1 0 275.392 3.031 20 10 CGCDRO C[C@H]([NH2+]C[C@]1(C)CCCO1)c1cc2c(cc1O)CCCC2 ZINC000185679331 625412514 /nfs/dbraw/zinc/41/25/14/625412514.db2.gz HYUIROBEICQJQC-UGSOOPFHSA-N 1 0 289.419 3.491 20 10 CGCDRO C[C@@H]([NH2+]C[C@@]1(C)CCCO1)c1cc2c(cc1O)CCCC2 ZINC000185679390 625412552 /nfs/dbraw/zinc/41/25/52/625412552.db2.gz HYUIROBEICQJQC-FZKQIMNGSA-N 1 0 289.419 3.491 20 10 CGCDRO CCc1cccc(C[NH2+]Cc2cnn(CC3CCC3)c2)c1O ZINC000897429957 620316186 /nfs/dbraw/zinc/31/61/86/620316186.db2.gz OKFAGVMZKMCDEB-UHFFFAOYSA-N 1 0 299.418 3.241 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1[O-] ZINC000841744132 620345678 /nfs/dbraw/zinc/34/56/78/620345678.db2.gz FIIYFVBTWHLNMT-IACUBPJLSA-N 1 0 294.826 3.323 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](CC(C)C)OC)c1 ZINC000841756063 620402744 /nfs/dbraw/zinc/40/27/44/620402744.db2.gz PNCQMUSCWBXAFG-TZMCWYRMSA-N 1 0 281.396 3.113 20 10 CGCDRO COc1cc(O)c(C[NH2+][C@@H]2CCCC3(CC3)C2)cc1OC ZINC000897773510 620427112 /nfs/dbraw/zinc/42/71/12/620427112.db2.gz JTCBBKGAQNCLES-CYBMUJFWSA-N 1 0 291.391 3.222 20 10 CGCDRO CCOc1ccc(C[NH2+][C@@H](C)c2cncs2)c(O)c1 ZINC000897935416 620452398 /nfs/dbraw/zinc/45/23/98/620452398.db2.gz XEJQPVMOMFICFF-JTQLQIEISA-N 1 0 278.377 3.098 20 10 CGCDRO Cc1ccc(C[N@@H+]2CC[C@H](Cc3nccs3)C2)c(O)c1 ZINC000898068133 620474742 /nfs/dbraw/zinc/47/47/42/620474742.db2.gz LHRGTIFJPPINHJ-CYBMUJFWSA-N 1 0 288.416 3.222 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCOC23CCCC3)cc1C ZINC000898111509 620479317 /nfs/dbraw/zinc/47/93/17/620479317.db2.gz FCSRIMTVTJWNFQ-INIZCTEOSA-N 1 0 275.392 3.200 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H](c2ccncc2)C2CC2)c1O ZINC000898322060 620506093 /nfs/dbraw/zinc/50/60/93/620506093.db2.gz GQRXEKPVUAELPW-MRXNPFEDSA-N 1 0 268.360 3.337 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H](c2ccncc2)C2CC2)c1 ZINC000898324152 620506182 /nfs/dbraw/zinc/50/61/82/620506182.db2.gz CETQTCLRNVOMTL-QGZVFWFLSA-N 1 0 268.360 3.337 20 10 CGCDRO CC[C@@H]([NH2+]CCc1cc(C)n(C)n1)c1ccc(C)cc1O ZINC000926909018 620543958 /nfs/dbraw/zinc/54/39/58/620543958.db2.gz CYADIOKIPWAIKV-MRXNPFEDSA-N 1 0 287.407 3.026 20 10 CGCDRO Cc1nc(C[NH2+][C@H](C)c2ccc(C)cc2O)cs1 ZINC000041010448 620550109 /nfs/dbraw/zinc/55/01/09/620550109.db2.gz DCDQGBXRXGWVOS-SNVBAGLBSA-N 1 0 262.378 3.316 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2C[C@H]2C(F)(F)F)c1 ZINC000926949744 620554308 /nfs/dbraw/zinc/55/43/08/620554308.db2.gz NQRURHYBTJLNTJ-HOTUBEGUSA-N 1 0 289.297 3.250 20 10 CGCDRO CCC[C@@H](O)CC[NH2+][C@@H](CC)c1ccc(C)cc1O ZINC000927014546 620560898 /nfs/dbraw/zinc/56/08/98/620560898.db2.gz CTQJOAYDSFMRGA-HIFRSBDPSA-N 1 0 265.397 3.292 20 10 CGCDRO C[C@H]([NH2+][C@H](C1CC1)[C@@H]1CCCOC1)c1cc(F)ccc1O ZINC000927069850 620570676 /nfs/dbraw/zinc/57/06/76/620570676.db2.gz NJLHVGRMIKTEKW-XTQGRXLLSA-N 1 0 293.382 3.387 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1CC[C@H](CC(=O)OC)C1)c1ccccc1O ZINC000898482303 620590800 /nfs/dbraw/zinc/59/08/00/620590800.db2.gz CFZNOSPIIMLRBT-GZBFAFLISA-N 1 0 291.391 3.165 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000898516175 620595089 /nfs/dbraw/zinc/59/50/89/620595089.db2.gz NNWOETNWCKNQIR-HOCLYGCPSA-N 1 0 275.392 3.031 20 10 CGCDRO Oc1ccc(F)cc1C[N@@H+]1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000898515898 620595142 /nfs/dbraw/zinc/59/51/42/620595142.db2.gz HKEQCUOIBPCOSM-KBPBESRZSA-N 1 0 293.382 3.170 20 10 CGCDRO C[C@@H]([NH2+]C1([C@@H]2CCCCO2)CC1)c1cc(F)ccc1O ZINC000927158923 620611527 /nfs/dbraw/zinc/61/15/27/620611527.db2.gz DKKVQDLNHIVBDY-ABAIWWIYSA-N 1 0 279.355 3.284 20 10 CGCDRO CO[C@@H]1CC[C@@H]1[N@H+](C)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000902634848 621390207 /nfs/dbraw/zinc/39/02/07/621390207.db2.gz UDIJLUSQNGPHHY-DZGCQCFKSA-N 1 0 293.407 3.005 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)c1ccccc1O ZINC000903265558 621650177 /nfs/dbraw/zinc/65/01/77/621650177.db2.gz NFXPBMABKCAQBJ-FMKPAKJESA-N 1 0 261.365 3.000 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCN(C)[C@H]1C)c1cc2c(cc1O)CCCC2 ZINC000903299643 621667465 /nfs/dbraw/zinc/66/74/65/621667465.db2.gz BXSPWOFFTKFWEO-GDZNZVCISA-N 1 0 288.435 3.014 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc3nonc3c2)c(O)c1 ZINC000903326819 621700217 /nfs/dbraw/zinc/70/02/17/621700217.db2.gz TYVSYVLNLUHKEZ-NSHDSACASA-N 1 0 283.331 3.088 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2COC[C@@H]2C)c1O ZINC000903393651 621718315 /nfs/dbraw/zinc/71/83/15/621718315.db2.gz QXTAUKYFHBDJQV-KWBADKCTSA-N 1 0 269.772 3.040 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(CCO)cc2)c1 ZINC000903403724 621740926 /nfs/dbraw/zinc/74/09/26/621740926.db2.gz UJLXJKYOWOMQMU-AWEZNQCLSA-N 1 0 285.387 3.086 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)c1ccc(N(C)C)cc1 ZINC000268924423 625529261 /nfs/dbraw/zinc/52/92/61/625529261.db2.gz PSEHXVFQNQQNDB-TWMKSMIVSA-N 1 0 274.408 3.113 20 10 CGCDRO Cc1cccc(C[NH2+][C@H]2C[C@H](OC(C)C)C2(C)C)c1O ZINC000768525160 625542457 /nfs/dbraw/zinc/54/24/57/625542457.db2.gz UDDHDIAZKRTZMV-GJZGRUSLSA-N 1 0 277.408 3.382 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H]1CCCN1CC)c1ccc(N(C)C)cc1 ZINC000156572319 622826059 /nfs/dbraw/zinc/82/60/59/622826059.db2.gz HCVQLMQIGOXQPL-QZTJIDSGSA-N 1 0 289.467 3.278 20 10 CGCDRO Cc1cnc(CC[N@@H+](C)Cc2cc(C)cc(C)c2O)s1 ZINC000165180875 622857101 /nfs/dbraw/zinc/85/71/01/622857101.db2.gz TYWKYZXQEPWPEV-UHFFFAOYSA-N 1 0 290.432 3.448 20 10 CGCDRO c1csc(SCCC[NH2+]Cc2ccoc2)n1 ZINC000165568420 622864851 /nfs/dbraw/zinc/86/48/51/622864851.db2.gz PKGZQVWSTFMLCU-UHFFFAOYSA-N 1 0 254.380 3.008 20 10 CGCDRO CC(C)C[NH2+]Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000057993853 622894561 /nfs/dbraw/zinc/89/45/61/622894561.db2.gz GOQVOCPWLZTADY-KBPBESRZSA-N 1 0 294.414 3.185 20 10 CGCDRO COc1cc(Cl)cc(C[N@@H+]2C[C@@H](C)C[C@H]2C)c1O ZINC000169084713 623024083 /nfs/dbraw/zinc/02/40/83/623024083.db2.gz UNDOEAWMQTZYJS-VHSXEESVSA-N 1 0 269.772 3.285 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+][C@H](C)Cc2ccco2)c1O ZINC000228670687 623070503 /nfs/dbraw/zinc/07/05/03/623070503.db2.gz BFYSVNRSMUMEEF-SNVBAGLBSA-N 1 0 295.766 3.368 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]C[C@H]2CCCS2)c1O ZINC000228676031 623071652 /nfs/dbraw/zinc/07/16/52/623071652.db2.gz NSJJZUWBGRAUBV-LLVKDONJSA-N 1 0 287.812 3.039 20 10 CGCDRO Oc1cc2c(cc1C[NH+]1Cc3ccccc3C1)CCC2 ZINC000170937495 623115915 /nfs/dbraw/zinc/11/59/15/623115915.db2.gz BQEFFESJQXLCRQ-UHFFFAOYSA-N 1 0 265.356 3.397 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1cc(Cl)cc(Cl)c1[O-] ZINC000817962273 625623167 /nfs/dbraw/zinc/62/31/67/625623167.db2.gz KGCKXKNVNPNXIU-QPUJVOFHSA-N 1 0 291.222 3.335 20 10 CGCDRO CC[C@@H]([NH2+]CC(C)(C)CCCO)c1ccccc1O ZINC000229560295 623144352 /nfs/dbraw/zinc/14/43/52/623144352.db2.gz MHTARTGPONGYAL-CQSZACIVSA-N 1 0 265.397 3.232 20 10 CGCDRO c1cc(N2CCCCC2)ccc1C[NH2+]CC[C@H]1CCOC1 ZINC000230162451 623215604 /nfs/dbraw/zinc/21/56/04/623215604.db2.gz IWOICBQUPPLHGM-KRWDZBQOSA-N 1 0 288.435 3.193 20 10 CGCDRO CS[C@@H]1CC[C@H]([NH2+]Cc2ccc(N(C)C)cc2)C1 ZINC000230697880 623263815 /nfs/dbraw/zinc/26/38/15/623263815.db2.gz ADRBAUJCODSIAS-DZGCQCFKSA-N 1 0 264.438 3.126 20 10 CGCDRO C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ccc(F)cc1[O-] ZINC000062744823 623264963 /nfs/dbraw/zinc/26/49/63/623264963.db2.gz BSCLTWUKIRCTAH-KBPBESRZSA-N 1 0 294.414 3.446 20 10 CGCDRO C[C@H](C[NH2+]Cc1cc(Cl)ccc1O)c1nccs1 ZINC000230693881 623266246 /nfs/dbraw/zinc/26/62/46/623266246.db2.gz LQYHCWZPLNVRFD-SECBINFHSA-N 1 0 282.796 3.395 20 10 CGCDRO C[C@H]([NH2+]CCC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000063099497 623296450 /nfs/dbraw/zinc/29/64/50/623296450.db2.gz OGWOFMUJBADVOD-JTQLQIEISA-N 1 0 260.303 3.356 20 10 CGCDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2c(O)cccc2Cl)cc1 ZINC000083552025 625645958 /nfs/dbraw/zinc/64/59/58/625645958.db2.gz RQUAGKMMRMNQNK-UHFFFAOYSA-N 1 0 292.722 3.244 20 10 CGCDRO COc1ccc(C[NH2+]C[C@H](CC(C)C)N(C)C)cc1C ZINC000035258550 623423821 /nfs/dbraw/zinc/42/38/21/623423821.db2.gz ZMKIIDMPOIFKCF-INIZCTEOSA-N 1 0 278.440 3.070 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cc(Cl)cc(OC)c1O)C1CC1 ZINC000324107744 623568793 /nfs/dbraw/zinc/56/87/93/623568793.db2.gz DLLJECRJWKANOW-GFCCVEGCSA-N 1 0 269.772 3.332 20 10 CGCDRO COc1cc(C)cc(C[N@H+](C)C2CCCCC2)c1O ZINC000915791411 624029674 /nfs/dbraw/zinc/02/96/74/624029674.db2.gz GCKZTZHEUQOSJE-UHFFFAOYSA-N 1 0 263.381 3.474 20 10 CGCDRO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000154141231 624208115 /nfs/dbraw/zinc/20/81/15/624208115.db2.gz NOXPYBQQIMXBFU-AEFFLSMTSA-N 1 0 288.435 3.192 20 10 CGCDRO CCc1cc(C[N@@H+]2CCOC[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000919938568 624434341 /nfs/dbraw/zinc/43/43/41/624434341.db2.gz LVHSCKIXVZJRDY-ZDUSSCGKSA-N 1 0 291.435 3.473 20 10 CGCDRO CN(C)c1ccc(C[NH2+]Cc2nccc3c2CCCC3)cc1 ZINC000921495891 624595358 /nfs/dbraw/zinc/59/53/58/624595358.db2.gz IYAIMTPVIIOAEP-UHFFFAOYSA-N 1 0 295.430 3.316 20 10 CGCDRO COc1ccc(C[NH2+]CCOC2CCCCC2)cc1C ZINC000070168088 624971143 /nfs/dbraw/zinc/97/11/43/624971143.db2.gz FIVWKRXPAMDQAX-UHFFFAOYSA-N 1 0 277.408 3.443 20 10 CGCDRO CCC(CC)(C[NH2+][C@H](C)c1cc(F)ccc1O)C(=O)OC ZINC000183880165 625161323 /nfs/dbraw/zinc/16/13/23/625161323.db2.gz LXEAETQAYGXZQR-LLVKDONJSA-N 1 0 297.370 3.161 20 10 CGCDRO COC1(C[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)CCC1 ZINC000186509425 625967885 /nfs/dbraw/zinc/96/78/85/625967885.db2.gz ZAJMEZMWZUNEHZ-ZDUSSCGKSA-N 1 0 289.419 3.491 20 10 CGCDRO CC(C)(C[NH2+]Cc1ccc2c(c1)CCCO2)c1ccccn1 ZINC000922152971 625973665 /nfs/dbraw/zinc/97/36/65/625973665.db2.gz CBLDIMIIAUMCJA-UHFFFAOYSA-N 1 0 296.414 3.474 20 10 CGCDRO COc1ccc(C[NH2+]CCCO[C@@H]2CCCCO2)cc1C ZINC000922229375 625987382 /nfs/dbraw/zinc/98/73/82/625987382.db2.gz GLBMKJYZXRCGLA-QGZVFWFLSA-N 1 0 293.407 3.027 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H](CO)CCc2ccccc2)cc1C ZINC000922544750 626012056 /nfs/dbraw/zinc/01/20/56/626012056.db2.gz UTTMWRWNNWDLLI-SFHVURJKSA-N 1 0 299.414 3.092 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCS[C@@H](C)C2)cc1C ZINC000922838442 626056532 /nfs/dbraw/zinc/05/65/32/626056532.db2.gz ZHQDCGFSSYFSHC-GXTWGEPZSA-N 1 0 265.422 3.383 20 10 CGCDRO CCOc1ccc(O)c(C[NH+]2CC(Cc3ccccc3)C2)c1 ZINC000839127610 626320773 /nfs/dbraw/zinc/32/07/73/626320773.db2.gz GUWQHRKAKHZBJT-UHFFFAOYSA-N 1 0 297.398 3.465 20 10 CGCDRO COC1CCC([NH2+]C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000839167305 626324733 /nfs/dbraw/zinc/32/47/33/626324733.db2.gz DZJDHSGSXRDOFQ-SNAWJCMRSA-N 1 0 288.435 3.313 20 10 CGCDRO CCOC[C@@H]1CCCC[N@@H+]1Cc1cc(OCC)ccc1O ZINC000839170621 626325220 /nfs/dbraw/zinc/32/52/20/626325220.db2.gz PTNKQKZVWLSMGO-HNNXBMFYSA-N 1 0 293.407 3.182 20 10 CGCDRO CCOc1ccc(O)c(C[N@H+](C)C2CC(C)(C)C2)c1 ZINC000839185263 626327391 /nfs/dbraw/zinc/32/73/91/626327391.db2.gz REMFDPRFDKFEQY-UHFFFAOYSA-N 1 0 263.381 3.411 20 10 CGCDRO C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1c(O)ccc2ccncc21 ZINC000751945175 626412828 /nfs/dbraw/zinc/41/28/28/626412828.db2.gz YHIGYJPDTDKMRN-NWDGAFQWSA-N 1 0 256.349 3.171 20 10 CGCDRO C[C@@H]1C[C@@H]1C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000754099167 626475561 /nfs/dbraw/zinc/47/55/61/626475561.db2.gz BTTIVVDXDSOQJX-FVQBIDKESA-N 1 0 275.392 3.029 20 10 CGCDRO COc1cccc(C[N@H+](C)Cc2ccc(F)cc2C)c1O ZINC000754155492 626561429 /nfs/dbraw/zinc/56/14/29/626561429.db2.gz XFQKWWDEFSGSRE-UHFFFAOYSA-N 1 0 289.350 3.480 20 10 CGCDRO Cc1csc([C@H](C)[NH2+]Cc2cccc(C)c2O)n1 ZINC000124792068 634507226 /nfs/dbraw/zinc/50/72/26/634507226.db2.gz SDABCVZHOPBTEG-NSHDSACASA-N 1 0 262.378 3.316 20 10 CGCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000756079049 626675076 /nfs/dbraw/zinc/67/50/76/626675076.db2.gz FYVZHWHBWDFSAP-KRWDZBQOSA-N 1 0 276.424 3.142 20 10 CGCDRO CCN1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000756357235 626695637 /nfs/dbraw/zinc/69/56/37/626695637.db2.gz LTWRBZIHJGDNQZ-GJZGRUSLSA-N 1 0 276.424 3.144 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]CCN2CCCCC2)c2c1c(F)ccc2O ZINC000756397176 626701065 /nfs/dbraw/zinc/70/10/65/626701065.db2.gz ORBZKOLLWAVEFW-TZMCWYRMSA-N 1 0 292.398 3.155 20 10 CGCDRO C[C@H]1C[C@H]([NH2+]Cc2nccs2)c2c1c(F)ccc2O ZINC000756444703 626706173 /nfs/dbraw/zinc/70/61/73/626706173.db2.gz WHAISAGHNSUIRJ-WPRPVWTQSA-N 1 0 278.352 3.326 20 10 CGCDRO CC(C)C[C@H](O)C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756495933 626710055 /nfs/dbraw/zinc/71/00/55/626710055.db2.gz DDQBXBFXKDEZOP-MDZLAQPJSA-N 1 0 281.371 3.076 20 10 CGCDRO CC(C)C[C@H](O)C[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756495929 626710138 /nfs/dbraw/zinc/71/01/38/626710138.db2.gz DDQBXBFXKDEZOP-GMXVVIOVSA-N 1 0 281.371 3.076 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]CC2CCOCC2)c2c1c(F)ccc2O ZINC000756510499 626711412 /nfs/dbraw/zinc/71/14/12/626711412.db2.gz JBGJRUDPXPFGNQ-ZWNOBZJWSA-N 1 0 279.355 3.096 20 10 CGCDRO CCC(CC)[C@H](O)C[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756569956 626716113 /nfs/dbraw/zinc/71/61/13/626716113.db2.gz SYBXASMYETXZBE-WDBKCZKBSA-N 1 0 295.398 3.466 20 10 CGCDRO CSC[C@H](C)[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756585493 626718731 /nfs/dbraw/zinc/71/87/31/626718731.db2.gz KORBRGDJGWYTSV-ATZCPNFKSA-N 1 0 269.385 3.421 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(C)[C@H](C)C2)c(O)c1C ZINC000756613712 626720677 /nfs/dbraw/zinc/72/06/77/626720677.db2.gz QICHMYRSJVMGRN-VHDGCEQUSA-N 1 0 276.424 3.142 20 10 CGCDRO CC[C@H](C[C@@H](C)CO)[NH2+][C@H](C)c1cc(C)ccc1O ZINC000756626325 626721417 /nfs/dbraw/zinc/72/14/17/626721417.db2.gz NTIUQFYCAUBKFD-MGPQQGTHSA-N 1 0 265.397 3.148 20 10 CGCDRO C[C@H]1C[C@@H]([NH2+]C2CCC(C)(O)CC2)c2c1c(F)ccc2O ZINC000756637142 626723338 /nfs/dbraw/zinc/72/33/38/626723338.db2.gz ZRUXUDLBPBFEBI-PVDIPJGUSA-N 1 0 293.382 3.363 20 10 CGCDRO CC[C@H](O)CCC[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000756731469 626728402 /nfs/dbraw/zinc/72/84/02/626728402.db2.gz BLOGJMMFXHCMQU-KBPBESRZSA-N 1 0 265.397 3.211 20 10 CGCDRO CC[C@H](O)CCC[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756738617 626728812 /nfs/dbraw/zinc/72/88/12/626728812.db2.gz JWBKUXOYFAHXCD-MDZLAQPJSA-N 1 0 281.371 3.220 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCNc2cccc(C)n2)c(O)c1 ZINC000756747368 626729508 /nfs/dbraw/zinc/72/95/08/626729508.db2.gz OHQYQXSORSEVOJ-CQSZACIVSA-N 1 0 285.391 3.167 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc(F)n2)c(O)c1C ZINC000756769261 626730831 /nfs/dbraw/zinc/73/08/31/626730831.db2.gz PHLVMRBIJPPWTH-LBPRGKRZSA-N 1 0 274.339 3.394 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CCO[C@H](C)C1)c1cc(Cl)ccc1O ZINC000756781390 626732117 /nfs/dbraw/zinc/73/21/17/626732117.db2.gz CPTDDNCISBZLIP-FOGDFJRCSA-N 1 0 269.772 3.264 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]CCCCCCO)c2c1c(F)ccc2O ZINC000756790877 626732331 /nfs/dbraw/zinc/73/23/31/626732331.db2.gz PMVVSIRSEHXLNW-YPMHNXCESA-N 1 0 281.371 3.222 20 10 CGCDRO CC(C)[C@H](O)C1(C[NH2+][C@@H](C)c2cc(Cl)ccc2O)CC1 ZINC000756789608 626732657 /nfs/dbraw/zinc/73/26/57/626732657.db2.gz HUSJLBSJULUBEW-NHYWBVRUSA-N 1 0 297.826 3.493 20 10 CGCDRO CO[C@@H]1CCC[C@H]1C[NH2+][C@H](C)c1cc(C)ccc1O ZINC000756788461 626732738 /nfs/dbraw/zinc/73/27/38/626732738.db2.gz VDBIIBHHNSUAOB-DVOMOZLQSA-N 1 0 263.381 3.166 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCOC(C)(C)C)c(O)c1C ZINC000756817635 626734333 /nfs/dbraw/zinc/73/43/33/626734333.db2.gz LREDDKBOBPZZBI-CYBMUJFWSA-N 1 0 265.397 3.475 20 10 CGCDRO C[C@@H](Nc1cnn(-c2cc[nH+]cc2)c1)c1ccc(F)cc1O ZINC000756868879 626738681 /nfs/dbraw/zinc/73/86/81/626738681.db2.gz YHVJTOJOVVZHRB-LLVKDONJSA-N 1 0 298.321 3.285 20 10 CGCDRO CCOc1ccc(C[N@H+](C)[C@@H](C)c2ccccn2)c(O)c1 ZINC000757876283 626811817 /nfs/dbraw/zinc/81/18/17/626811817.db2.gz PZUOOIPDRWKRQJ-ZDUSSCGKSA-N 1 0 286.375 3.379 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000758061591 626824917 /nfs/dbraw/zinc/82/49/17/626824917.db2.gz AGKMRQNCRBBBBH-KRWDZBQOSA-N 1 0 275.392 3.173 20 10 CGCDRO CC[C@H](CC(F)(F)F)[NH2+]Cc1cccc(OC)c1O ZINC000760650802 626983227 /nfs/dbraw/zinc/98/32/27/626983227.db2.gz JSDUYCINEVWRMV-SNVBAGLBSA-N 1 0 277.286 3.221 20 10 CGCDRO C[C@H]1CC[N@H+](Cc2cc(F)ccc2O)CC1(C)C ZINC000761225769 627027005 /nfs/dbraw/zinc/02/70/05/627027005.db2.gz LNZZOMUVIVNOJX-NSHDSACASA-N 1 0 251.345 3.399 20 10 CGCDRO COC[C@H](CC(C)C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000765474730 627252120 /nfs/dbraw/zinc/25/21/20/627252120.db2.gz GEIKVHKZXZVSTI-AWEZNQCLSA-N 1 0 282.403 3.042 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CCN(C)C1)c1ccc(N2CCCCC2)cc1 ZINC000765767479 627269364 /nfs/dbraw/zinc/26/93/64/627269364.db2.gz KHNKQQMPWBOTQO-WBVHZDCISA-N 1 0 287.451 3.032 20 10 CGCDRO CO[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000765871223 627276753 /nfs/dbraw/zinc/27/67/53/627276753.db2.gz CWZHLUTVXIXOJK-CVEARBPZSA-N 1 0 290.451 3.436 20 10 CGCDRO C[C@@H]([NH2+]CC1(O)CCC1)c1ccc(N2CCCCC2)cc1 ZINC000765899195 627277183 /nfs/dbraw/zinc/27/71/83/627277183.db2.gz LTIAKBLHROZEMW-OAHLLOKOSA-N 1 0 288.435 3.243 20 10 CGCDRO CC[C@H](C[C@@H](C)CO)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000766362007 627323641 /nfs/dbraw/zinc/32/36/41/627323641.db2.gz ZPUZLIJVHBXRSS-IJEWVQPXSA-N 1 0 278.440 3.200 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CCCCC[C@@H]2C)cc1OC ZINC000768448746 627480600 /nfs/dbraw/zinc/48/06/00/627480600.db2.gz WZINAIRSCPVYLO-LBPRGKRZSA-N 1 0 279.380 3.174 20 10 CGCDRO CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000768464952 627481489 /nfs/dbraw/zinc/48/14/89/627481489.db2.gz CWPYOVNPOXOQGR-YPMHNXCESA-N 1 0 279.380 3.030 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@H]1c1cc(C)no1 ZINC000768879800 627505925 /nfs/dbraw/zinc/50/59/25/627505925.db2.gz YFMAGFCFDKOXCL-CYBMUJFWSA-N 1 0 288.347 3.034 20 10 CGCDRO COc1cccc(O)c1C[NH+]1CCC(OC(C)(C)C)CC1 ZINC000769059148 627520430 /nfs/dbraw/zinc/52/04/30/627520430.db2.gz GPVSDQKFZHYBRG-UHFFFAOYSA-N 1 0 293.407 3.180 20 10 CGCDRO COc1cccc(C[N@@H+]2CCc3c(C)cccc3C2)c1O ZINC000769338575 627543469 /nfs/dbraw/zinc/54/34/69/627543469.db2.gz KXHXUQDIJNPUDU-UHFFFAOYSA-N 1 0 283.371 3.268 20 10 CGCDRO CCOc1ccc(O)c(C[NH+]2CCc3ccccc3CC2)c1 ZINC000769410376 627549817 /nfs/dbraw/zinc/54/98/17/627549817.db2.gz BTBLYTOKTSSUHG-UHFFFAOYSA-N 1 0 297.398 3.392 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@]3(CCCOC3)C2)c1 ZINC000769485174 627559557 /nfs/dbraw/zinc/55/95/57/627559557.db2.gz LPHWCFPLSVWYHF-KRWDZBQOSA-N 1 0 275.392 3.093 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C2CC(OC(C)C)C2)c1 ZINC000769995594 627596625 /nfs/dbraw/zinc/59/66/25/627596625.db2.gz NWWCUTUMDFLPHP-LKSINWNRSA-N 1 0 279.380 3.007 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](C(C)C)C2)c1 ZINC000770305727 627612359 /nfs/dbraw/zinc/61/23/59/627612359.db2.gz JTQLKPBKOHGPIV-ZDUSSCGKSA-N 1 0 263.381 3.269 20 10 CGCDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(Cc2ccccc2O)C1 ZINC000770510141 627623178 /nfs/dbraw/zinc/62/31/78/627623178.db2.gz YSWACJRUDDBRJA-BFYDXBDKSA-N 1 0 288.435 3.229 20 10 CGCDRO Oc1ccccc1CN1CC[NH+](CC2CCCCC2)CC1 ZINC000770510160 627623237 /nfs/dbraw/zinc/62/32/37/627623237.db2.gz ZWALVJMVGPDCDP-UHFFFAOYSA-N 1 0 288.435 3.090 20 10 CGCDRO COc1ccc(N2CCC([NH2+]C3CC(C)C3)CC2)cc1 ZINC000773045110 627846591 /nfs/dbraw/zinc/84/65/91/627846591.db2.gz XVCORPCLRRJNCM-UHFFFAOYSA-N 1 0 274.408 3.052 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CC[C@H](O)CC1)c1ccc(N(C)C)cc1 ZINC000773102353 627856411 /nfs/dbraw/zinc/85/64/11/627856411.db2.gz LPNWUYHKUHUHJI-XIRDDKMYSA-N 1 0 276.424 3.097 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCSC[C@@H]2C)cc1 ZINC000773754300 627911673 /nfs/dbraw/zinc/91/16/73/627911673.db2.gz QNLNWYAKRMMPPW-ZDUSSCGKSA-N 1 0 264.438 3.080 20 10 CGCDRO CCN(C)c1ccc(C[N@H+](CC)C[C@@H]2CCCO2)cc1 ZINC000773758198 627912520 /nfs/dbraw/zinc/91/25/20/627912520.db2.gz XLRCJSVLLJHKAZ-KRWDZBQOSA-N 1 0 276.424 3.144 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCO[C@@](C)(CC)C2)cc1 ZINC000773887799 627924851 /nfs/dbraw/zinc/92/48/51/627924851.db2.gz HOTXECMYNDJGRG-KRWDZBQOSA-N 1 0 276.424 3.144 20 10 CGCDRO CCOc1ccc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)nc1 ZINC000775363322 628086165 /nfs/dbraw/zinc/08/61/65/628086165.db2.gz MUZRIXDOUQLSFK-CQSZACIVSA-N 1 0 299.418 3.397 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H](C1CC1)N(C)C)c1cc(Cl)ccc1O ZINC000775493945 628100753 /nfs/dbraw/zinc/10/07/53/628100753.db2.gz WUKMGSLSOJHYII-HUUCEWRRSA-N 1 0 296.842 3.427 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCCC[C@@H]1O)c1cc(Cl)ccc1O ZINC000775503737 628101613 /nfs/dbraw/zinc/10/16/13/628101613.db2.gz NIUQIJWPFXJTCG-YDHLFZDLSA-N 1 0 283.799 3.390 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1CCCOC1)c1cc(Cl)ccc1O ZINC000775502809 628101869 /nfs/dbraw/zinc/10/18/69/628101869.db2.gz WCZBHUHCFDMOCP-DGCLKSJQSA-N 1 0 269.772 3.265 20 10 CGCDRO CC[C@H]([NH2+]Cc1cccc(F)n1)c1ccccc1O ZINC000775523243 628103250 /nfs/dbraw/zinc/10/32/50/628103250.db2.gz GRMQXUNXNXRLOL-ZDUSSCGKSA-N 1 0 260.312 3.167 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)C(C)(C)O)c1cc(Cl)ccc1O ZINC000775533781 628103793 /nfs/dbraw/zinc/10/37/93/628103793.db2.gz PJFGMRCQWHHMFR-SKDRFNHKSA-N 1 0 271.788 3.246 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)C[C@@H](C)O)c1cc(Cl)ccc1O ZINC000775552220 628105804 /nfs/dbraw/zinc/10/58/04/628105804.db2.gz SZNCUTKSGAMUNJ-CWSCBRNRSA-N 1 0 271.788 3.246 20 10 CGCDRO Cc1cc([C@@H]2CCC[N@@H+]2Cc2cccc(C)c2O)on1 ZINC000775655575 628120482 /nfs/dbraw/zinc/12/04/82/628120482.db2.gz GVGACHIBBIZAFT-AWEZNQCLSA-N 1 0 272.348 3.334 20 10 CGCDRO COc1ccc(O)c(C[NH+](CC2CC2)CC2CC2)c1 ZINC000775701695 628127140 /nfs/dbraw/zinc/12/71/40/628127140.db2.gz JYILBIMYSYXMAL-UHFFFAOYSA-N 1 0 261.365 3.023 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCc3cccc(F)c3C2)c1O ZINC000775701782 628127459 /nfs/dbraw/zinc/12/74/59/628127459.db2.gz XDNPQSDBGNHSEQ-UHFFFAOYSA-N 1 0 271.335 3.398 20 10 CGCDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2cccc(C)c2O)C1(C)C ZINC000775715073 628128055 /nfs/dbraw/zinc/12/80/55/628128055.db2.gz BHFBLFNGKOUKOE-GJZGRUSLSA-N 1 0 277.408 3.336 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H](C)Cc2cccc(O)c2)c1 ZINC000776174222 628175792 /nfs/dbraw/zinc/17/57/92/628175792.db2.gz FAYBQKMOWVUFGQ-CYBMUJFWSA-N 1 0 271.360 3.127 20 10 CGCDRO Cc1cccc(C[NH2+]C(C)(C)C(=O)Nc2ccccc2)c1O ZINC000776174266 628176075 /nfs/dbraw/zinc/17/60/75/628176075.db2.gz LBCXGMQPYYBIGB-UHFFFAOYSA-N 1 0 298.386 3.208 20 10 CGCDRO Cc1ccc([C@H](O)C[NH2+]Cc2cc(Cl)cc(C)c2O)o1 ZINC000776216890 628181530 /nfs/dbraw/zinc/18/15/30/628181530.db2.gz XYYAMMAXOACJEW-CYBMUJFWSA-N 1 0 295.766 3.079 20 10 CGCDRO COc1ccc(C[NH2+]Cc2cc(C)ccc2O)c(C)c1 ZINC000776252563 628184589 /nfs/dbraw/zinc/18/45/89/628184589.db2.gz GMAHDVCEEQEEEH-UHFFFAOYSA-N 1 0 271.360 3.307 20 10 CGCDRO CCOC[C@H](C)[NH2+]Cc1ccc(N(CC)CC)c(F)c1 ZINC000778196088 628333597 /nfs/dbraw/zinc/33/35/97/628333597.db2.gz BANGWQSAGMLDOW-ZDUSSCGKSA-N 1 0 282.403 3.187 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)C1CCSCC1 ZINC000779017467 628383239 /nfs/dbraw/zinc/38/32/39/628383239.db2.gz LLMWINTXJPWGCD-LBPRGKRZSA-N 1 0 277.433 3.243 20 10 CGCDRO C[C@H](COc1ccccc1)[NH2+]Cc1cc(F)ccc1O ZINC000779060851 628386081 /nfs/dbraw/zinc/38/60/81/628386081.db2.gz MJDABFUHIYMHMT-GFCCVEGCSA-N 1 0 275.323 3.088 20 10 CGCDRO CCOC[C@H](C)[NH2+][C@H](CC)c1ccc(N(C)C)cc1 ZINC000779071607 628386382 /nfs/dbraw/zinc/38/63/82/628386382.db2.gz HUHUVZBIBCYTKA-XJKSGUPXSA-N 1 0 264.413 3.218 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2CCC=CO2)cc1F ZINC000780566021 628501257 /nfs/dbraw/zinc/50/12/57/628501257.db2.gz HUDPPPWYUHVTCT-HNNXBMFYSA-N 1 0 292.398 3.454 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+][C@H](C)[C@H]2CCCOC2)c1O ZINC000780780099 628516884 /nfs/dbraw/zinc/51/68/84/628516884.db2.gz ICVDUGXGRYWUGS-NEPJUHHUSA-N 1 0 283.799 3.259 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)c1nccnc1C ZINC000783247432 628694322 /nfs/dbraw/zinc/69/43/22/628694322.db2.gz WXFBXLKWXLWOKP-CQSZACIVSA-N 1 0 284.407 3.010 20 10 CGCDRO C[C@H]([NH2+]CCN1c2ccccc2C[C@H]1C)c1ccccc1O ZINC000783505130 628718684 /nfs/dbraw/zinc/71/86/84/628718684.db2.gz MAMJKTRVYLBLDY-CABCVRRESA-N 1 0 296.414 3.494 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@H+]2C[C@H](C)O[C@H](C)[C@H]2C)c1 ZINC000783544943 628723594 /nfs/dbraw/zinc/72/35/94/628723594.db2.gz RWRYBOJCRXDSSP-BFHYXJOUSA-N 1 0 263.381 3.007 20 10 CGCDRO COc1cccc(C[NH2+]C[C@@H](SC)C(C)(C)C)c1O ZINC000784626072 628825799 /nfs/dbraw/zinc/82/57/99/628825799.db2.gz NBNAHSRAPXCYKR-CYBMUJFWSA-N 1 0 283.437 3.268 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CC[C@H]2CCCO2)c(O)c1 ZINC000788506653 628827667 /nfs/dbraw/zinc/82/76/67/628827667.db2.gz KSFFUPCXISSDDQ-ZIAGYGMSSA-N 1 0 263.381 3.229 20 10 CGCDRO OCC[N@H+](Cc1cc(-c2ccccc2)ccc1O)C1CCC1 ZINC000784671825 628828777 /nfs/dbraw/zinc/82/87/77/628828777.db2.gz KXONCWRQMMHHRG-UHFFFAOYSA-N 1 0 297.398 3.406 20 10 CGCDRO COc1cccc(O)c1C[NH2+]Cc1cccc2cc[nH]c21 ZINC000786163597 628916998 /nfs/dbraw/zinc/91/69/98/628916998.db2.gz KPQJENKZJFSQGL-UHFFFAOYSA-N 1 0 282.343 3.172 20 10 CGCDRO COc1cc(O)c(C[N@H+](C)C2(C)CCCC2)cc1OC ZINC000787337662 629009372 /nfs/dbraw/zinc/00/93/72/629009372.db2.gz OJBIRTACXKRZQQ-UHFFFAOYSA-N 1 0 279.380 3.174 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)[C@]1(C)CCCO1 ZINC000788527026 629062663 /nfs/dbraw/zinc/06/26/63/629062663.db2.gz RTZYKQDUZKAMOK-QAPCUYQASA-N 1 0 288.435 3.334 20 10 CGCDRO CCN(CC)C[C@H](C)[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000788589388 629066682 /nfs/dbraw/zinc/06/66/82/629066682.db2.gz QTRFNLRLOOELOV-GJZGRUSLSA-N 1 0 278.440 3.390 20 10 CGCDRO CC[C@H](C)[C@@](C)(O)C[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000788594629 629067333 /nfs/dbraw/zinc/06/73/33/629067333.db2.gz WYRBUUJLRCKOHU-ZQIUZPCESA-N 1 0 279.424 3.457 20 10 CGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1)CCC2 ZINC000789510662 629141808 /nfs/dbraw/zinc/14/18/08/629141808.db2.gz BVZHEBBTPLWQNC-AEFFLSMTSA-N 1 0 287.403 3.024 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1N(C)CCCC1(C)C)c1cc(F)ccc1O ZINC000790497569 629213382 /nfs/dbraw/zinc/21/33/82/629213382.db2.gz NBPRFUCEZJMLAW-MLGOLLRUSA-N 1 0 294.414 3.302 20 10 CGCDRO CC1(C)C[N@H+](Cc2cc(-c3ccccc3)ccc2O)C[C@@H]1O ZINC000790937204 629242058 /nfs/dbraw/zinc/24/20/58/629242058.db2.gz IBZDHTZWANCVQZ-SFHVURJKSA-N 1 0 297.398 3.262 20 10 CGCDRO C[C@@H](O)C[C@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000790934632 629242228 /nfs/dbraw/zinc/24/22/28/629242228.db2.gz PVOABYWPTTUSLX-BXUZGUMPSA-N 1 0 283.799 3.171 20 10 CGCDRO CC[N@H+](Cc1c(O)cccc1Br)C1CC1 ZINC000862220975 629325434 /nfs/dbraw/zinc/32/54/34/629325434.db2.gz OXZSJNVYLOCUOB-UHFFFAOYSA-N 1 0 270.170 3.139 20 10 CGCDRO CCC[N@H+](Cc1cnc(C)o1)Cc1ccccc1O ZINC000862237434 629329108 /nfs/dbraw/zinc/32/91/08/629329108.db2.gz OWYGNIQEFZVPMO-UHFFFAOYSA-N 1 0 260.337 3.101 20 10 CGCDRO CC[N@@H+](Cc1c(O)cccc1Br)CC1CC1 ZINC000862244115 629329544 /nfs/dbraw/zinc/32/95/44/629329544.db2.gz WCRHHAMAYHZVQM-UHFFFAOYSA-N 1 0 284.197 3.387 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)C1CC(F)(F)C1 ZINC000862275655 629336200 /nfs/dbraw/zinc/33/62/00/629336200.db2.gz XCTUTOLHSGMBNS-SNVBAGLBSA-N 1 0 286.341 3.415 20 10 CGCDRO CCOc1ccc(O)c(C[N@H+](C)Cc2ccn(CC)c2)c1 ZINC000792184690 629345383 /nfs/dbraw/zinc/34/53/83/629345383.db2.gz XNIYALLSSYUUAO-UHFFFAOYSA-N 1 0 288.391 3.244 20 10 CGCDRO CC[C@]1([NH2+]Cc2cc(Cl)cc(C)c2O)CCOC1 ZINC000792193721 629347820 /nfs/dbraw/zinc/34/78/20/629347820.db2.gz ZAYWQRKVZLNCQG-AWEZNQCLSA-N 1 0 269.772 3.013 20 10 CGCDRO CC[C@H]1CC[N@@H+]1Cc1c(O)cccc1Br ZINC000862377245 629357203 /nfs/dbraw/zinc/35/72/03/629357203.db2.gz OKDFJBQSZLJKCV-VIFPVBQESA-N 1 0 270.170 3.139 20 10 CGCDRO CCOc1ccc(CNc2cc[nH+]c(C)c2Cl)c(O)c1 ZINC000792691526 629375269 /nfs/dbraw/zinc/37/52/69/629375269.db2.gz OQEZSNVKHSGNCD-UHFFFAOYSA-N 1 0 292.766 3.182 20 10 CGCDRO COc1cccc(C[N@@H+]2CC[C@H](c3ccc(O)cc3)C2)c1O ZINC000862540845 629395944 /nfs/dbraw/zinc/39/59/44/629395944.db2.gz KZOAFZWXARSUKG-AWEZNQCLSA-N 1 0 299.370 3.096 20 10 CGCDRO COc1ccc(C[NH2+]Cc2c(O)cccc2Cl)c(O)c1 ZINC000793389638 629453965 /nfs/dbraw/zinc/45/39/65/629453965.db2.gz KUFYHDGQSNRQKO-UHFFFAOYSA-N 1 0 293.750 3.050 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cc(C)nn1C)c1cc(Cl)ccc1O ZINC000793560337 629483998 /nfs/dbraw/zinc/48/39/98/629483998.db2.gz NQFYOPFHZPWFLT-CQSZACIVSA-N 1 0 293.798 3.328 20 10 CGCDRO COc1cc(C[NH+]2CCC(C3CC3)CC2)c(O)cc1C ZINC000793629272 629491925 /nfs/dbraw/zinc/49/19/25/629491925.db2.gz CAIGAHGZTDEDGT-UHFFFAOYSA-N 1 0 275.392 3.331 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H](CSC)C2)c1O ZINC000793796412 629502176 /nfs/dbraw/zinc/50/21/76/629502176.db2.gz LFNPNEIOSLTKHL-CYBMUJFWSA-N 1 0 295.448 3.284 20 10 CGCDRO Cc1cnc([C@H](C)[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000793906992 629507608 /nfs/dbraw/zinc/50/76/08/629507608.db2.gz JOSAYMYUQDNLBY-KBPBESRZSA-N 1 0 284.407 3.263 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H]1CCC[C@H](O)C1)c1ccc(C)cc1O ZINC000794800582 629578283 /nfs/dbraw/zinc/57/82/83/629578283.db2.gz DWVKNNXKFQTJAX-YCPHGPKFSA-N 1 0 277.408 3.292 20 10 CGCDRO CC(C)Cn1cc[nH+]c1NCc1ccc(N(C)C)cc1 ZINC000795806415 629717767 /nfs/dbraw/zinc/71/77/67/629717767.db2.gz YPOFNFTUEBUOQM-UHFFFAOYSA-N 1 0 272.396 3.217 20 10 CGCDRO CN(C)c1cc(F)c(C[NH2+][C@@]23C[C@@H]2CCCC3)cc1F ZINC000864050325 629740803 /nfs/dbraw/zinc/74/08/03/629740803.db2.gz CPVXPSZBVRRAAZ-LRDDRELGSA-N 1 0 280.362 3.453 20 10 CGCDRO CC[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796254268 629757141 /nfs/dbraw/zinc/75/71/41/629757141.db2.gz AWSXXHIDMDFZMQ-UHFFFAOYSA-N 1 0 266.388 3.359 20 10 CGCDRO Cc1ccc([C@@H](O)[C@@H](C)[NH2+]Cc2cc(C)ccc2O)cc1 ZINC000796483985 629789393 /nfs/dbraw/zinc/78/93/93/629789393.db2.gz MOACTFQFEVBXIK-KDOFPFPSSA-N 1 0 285.387 3.221 20 10 CGCDRO COc1ccc(C[NH2+]CC2(C(F)(F)F)CC2)cc1C ZINC000796492479 629789944 /nfs/dbraw/zinc/78/99/44/629789944.db2.gz ZNIAIDAZKHHORD-UHFFFAOYSA-N 1 0 273.298 3.436 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cnn2ccccc12)c1ccccc1O ZINC000797051952 629878286 /nfs/dbraw/zinc/87/82/86/629878286.db2.gz HBOJNAWQTLURMZ-OAHLLOKOSA-N 1 0 281.359 3.281 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CCC(F)(F)C2)cc1F ZINC000797469296 629950447 /nfs/dbraw/zinc/95/04/47/629950447.db2.gz YTSAOHBYWZGZRR-GFCCVEGCSA-N 1 0 286.341 3.417 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CC[C@H](c3ccccn3)C2)c(O)c1 ZINC000798965585 630132368 /nfs/dbraw/zinc/13/23/68/630132368.db2.gz UWMMEZIWGNJLNO-AWEZNQCLSA-N 1 0 298.386 3.175 20 10 CGCDRO COc1cc(C[N@@H+]2CC[C@@H](c3ccccn3)C2)c(O)cc1C ZINC000799156594 630150291 /nfs/dbraw/zinc/15/02/91/630150291.db2.gz VXAGVPFCXPTGBR-CQSZACIVSA-N 1 0 298.386 3.094 20 10 CGCDRO CSCCC[N@H+](C)Cc1cc2c(cc1O)CCCC2 ZINC000799159026 630151231 /nfs/dbraw/zinc/15/12/31/630151231.db2.gz AZTUOYDGCFTXHI-UHFFFAOYSA-N 1 0 279.449 3.456 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CCCOC2)c1O ZINC000808693568 630294634 /nfs/dbraw/zinc/29/46/34/630294634.db2.gz HUIREVUUIFAIDG-ZYHUDNBSSA-N 1 0 269.772 3.184 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@H]2CC[C@H]2C2CCC2)c1 ZINC000800975046 630315995 /nfs/dbraw/zinc/31/59/95/630315995.db2.gz VRXOVMUMRNZRET-GJZGRUSLSA-N 1 0 261.365 3.069 20 10 CGCDRO CCCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)OCCC ZINC000801596662 630346925 /nfs/dbraw/zinc/34/69/25/630346925.db2.gz JBKSEUOHGCXMQM-AWEZNQCLSA-N 1 0 293.407 3.336 20 10 CGCDRO COc1cccc(C[NH2+]CCC2C[C@@H](C)O[C@H](C)C2)c1O ZINC000801731752 630353354 /nfs/dbraw/zinc/35/33/54/630353354.db2.gz DDOQMLZGPGDWJX-CHWSQXEVSA-N 1 0 293.407 3.084 20 10 CGCDRO C[C@@H]1CC(CC[NH2+]Cc2ccc3c(c2)CCO3)C[C@@H](C)O1 ZINC000801732618 630353785 /nfs/dbraw/zinc/35/37/85/630353785.db2.gz QZLKKYFGCOZQKR-ZIAGYGMSSA-N 1 0 289.419 3.305 20 10 CGCDRO CS[C@H]1C[C@H]([NH2+]Cc2c(O)cccc2Cl)C1 ZINC000865734296 630453515 /nfs/dbraw/zinc/45/35/15/630453515.db2.gz RNIDNFWBVLNJSC-KYZUINATSA-N 1 0 257.786 3.029 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]CC[C@H]2CCCS2)c1 ZINC000865725166 630476480 /nfs/dbraw/zinc/47/64/80/630476480.db2.gz UHVSBGWCWIJWDP-CQSZACIVSA-N 1 0 281.421 3.166 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H](CO)C(C)C)cc1 ZINC000806169092 630552519 /nfs/dbraw/zinc/55/25/19/630552519.db2.gz IBMIFVVXIIRFJH-GOEBONIOSA-N 1 0 278.440 3.058 20 10 CGCDRO CC[C@H]1CN(C)CC[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC000840092590 630589638 /nfs/dbraw/zinc/58/96/38/630589638.db2.gz BRQQLQMSWJZLHL-HNNXBMFYSA-N 1 0 284.403 3.071 20 10 CGCDRO CCCCN(C)C[C@H](C)[NH2+]Cc1ccc(OCC)cc1O ZINC000808454962 630646807 /nfs/dbraw/zinc/64/68/07/630646807.db2.gz RUKBRGRGHYIKJB-AWEZNQCLSA-N 1 0 294.439 3.001 20 10 CGCDRO CC[C@@](C)(O)C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808693165 630664927 /nfs/dbraw/zinc/66/49/27/630664927.db2.gz DOFDTEHFSDWINF-IINYFYTJSA-N 1 0 271.788 3.166 20 10 CGCDRO CO[C@@H](C)[C@H](C)[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808716024 630669772 /nfs/dbraw/zinc/66/97/72/630669772.db2.gz QGHMWKXPRKMKSR-DCAQKATOSA-N 1 0 271.788 3.428 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2(N(C)C)CCC2)c1O ZINC000808716358 630670757 /nfs/dbraw/zinc/67/07/57/630670757.db2.gz VZVWXBNMCDOHOW-GFCCVEGCSA-N 1 0 296.842 3.489 20 10 CGCDRO CCC[N@H+](CCN1CCCC1)Cc1cc(Cl)ccc1O ZINC000809700514 630785356 /nfs/dbraw/zinc/78/53/56/630785356.db2.gz IJJRIBBJQLGARW-UHFFFAOYSA-N 1 0 296.842 3.353 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000809728566 630793461 /nfs/dbraw/zinc/79/34/61/630793461.db2.gz BRUDWMMKQZQOTL-HNNXBMFYSA-N 1 0 254.333 3.124 20 10 CGCDRO COc1cccc(C[NH2+][C@H](C)C2CCSCC2)c1O ZINC000809740405 630796189 /nfs/dbraw/zinc/79/61/89/630796189.db2.gz XWVBPGHNQZJXMB-LLVKDONJSA-N 1 0 281.421 3.022 20 10 CGCDRO CCCC(CCC)[NH2+]Cc1cccc(OC)c1O ZINC000809740446 630796673 /nfs/dbraw/zinc/79/66/73/630796673.db2.gz YXGCPIWYEMFEDA-UHFFFAOYSA-N 1 0 251.370 3.459 20 10 CGCDRO CCOc1ccc(C[N@H+](C)[C@@H](CC)CSC)c(O)c1 ZINC000809767016 630802374 /nfs/dbraw/zinc/80/23/74/630802374.db2.gz FDCUYYBWGGDDAJ-ZDUSSCGKSA-N 1 0 283.437 3.364 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCn2cccc2[C@@H]1C ZINC000876531417 634852031 /nfs/dbraw/zinc/85/20/31/634852031.db2.gz FRHVLPMPIAODOM-ZDUSSCGKSA-N 1 0 256.349 3.079 20 10 CGCDRO COCC(C)(C)C[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000813883881 631476551 /nfs/dbraw/zinc/47/65/51/631476551.db2.gz YRZXMAKYKPBYMU-CMPLNLGQSA-N 1 0 281.371 3.342 20 10 CGCDRO CCCC[N@@H+](Cc1ccccc1O)C[C@H](O)C(C)C ZINC000814635790 631615400 /nfs/dbraw/zinc/61/54/00/631615400.db2.gz NSRWHWOGMUNLCN-INIZCTEOSA-N 1 0 265.397 3.011 20 10 CGCDRO Cc1cc(C[N@@H+]2CCOc3ccccc3C2)ccc1N(C)C ZINC000815021028 631705448 /nfs/dbraw/zinc/70/54/48/631705448.db2.gz AXLKKEGBAVFFQS-UHFFFAOYSA-N 1 0 296.414 3.456 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C[C@@H](CO)C2CCCCC2)cc1 ZINC000815149927 631731086 /nfs/dbraw/zinc/73/10/86/631731086.db2.gz GJVOQEIFRBKTPP-KRWDZBQOSA-N 1 0 290.451 3.031 20 10 CGCDRO CN(C)CC[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000815625860 631808952 /nfs/dbraw/zinc/80/89/52/631808952.db2.gz OIKLYXFOABBILL-GOSISDBHSA-N 1 0 298.430 3.217 20 10 CGCDRO CC[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)C(C)(C)O ZINC000815652277 631814086 /nfs/dbraw/zinc/81/40/86/631814086.db2.gz WGOIZLNWWCFNTK-CDMKHQONSA-N 1 0 281.371 3.219 20 10 CGCDRO C[N@H+](CCOCC1CC1)Cc1ccc2ccccc2c1O ZINC000816517551 632002038 /nfs/dbraw/zinc/00/20/38/632002038.db2.gz UQTCDOWYSNODOQ-UHFFFAOYSA-N 1 0 285.387 3.404 20 10 CGCDRO COC(C)(C)C[N@H+](C)Cc1ccc2ccccc2c1O ZINC000816520296 632002779 /nfs/dbraw/zinc/00/27/79/632002779.db2.gz LMLZSHVMOJSNJM-UHFFFAOYSA-N 1 0 273.376 3.402 20 10 CGCDRO CC[C@H](C)[C@H](O)C[NH2+]Cc1ccc2ccccc2c1O ZINC000816548710 632007305 /nfs/dbraw/zinc/00/73/05/632007305.db2.gz QBJIJHYIEFOFHS-BLLLJJGKSA-N 1 0 273.376 3.042 20 10 CGCDRO COC(C)(C)C[NH2+]Cc1ccc2ccccc2c1O ZINC000816554151 632010005 /nfs/dbraw/zinc/01/00/05/632010005.db2.gz QIRQXCYYHCQDHM-UHFFFAOYSA-N 1 0 259.349 3.060 20 10 CGCDRO CCn1cc(C[NH2+]Cc2ccc3ccccc3c2O)cn1 ZINC000816552847 632010356 /nfs/dbraw/zinc/01/03/56/632010356.db2.gz ZCEZAMNQSSOPMP-UHFFFAOYSA-N 1 0 281.359 3.052 20 10 CGCDRO CO[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc2ccccc2c1O ZINC000816560658 632013553 /nfs/dbraw/zinc/01/35/53/632013553.db2.gz WRNTUCUEUCLYAB-WMLDXEAASA-N 1 0 285.387 3.450 20 10 CGCDRO CC[C@H]1C[NH+](Cc2cc(OC)c(C)cc2O)C[C@H](CC)O1 ZINC000817366083 632133020 /nfs/dbraw/zinc/13/30/20/632133020.db2.gz UAYJQAGAVPHNSB-GJZGRUSLSA-N 1 0 293.407 3.099 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CC23CCSCC3)cc1 ZINC000817411940 632142745 /nfs/dbraw/zinc/14/27/45/632142745.db2.gz ZSOULWUOISNXJE-HNNXBMFYSA-N 1 0 290.476 3.376 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](CCO)CC2)c1O ZINC000817418728 632146276 /nfs/dbraw/zinc/14/62/76/632146276.db2.gz DDNCWCHJSQIRPW-CYBMUJFWSA-N 1 0 297.826 3.339 20 10 CGCDRO CC[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc(F)cc1[O-] ZINC000817584899 632190869 /nfs/dbraw/zinc/19/08/69/632190869.db2.gz AIYIIMYBTBDQNI-ZBCRRDGASA-N 1 0 294.414 3.445 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCCC2(O)CCC2)c1 ZINC000817585197 632190939 /nfs/dbraw/zinc/19/09/39/632190939.db2.gz CEYPYLGTFMEYEF-ZDUSSCGKSA-N 1 0 263.381 3.046 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCCC2(O)CCC2)c(O)c1 ZINC000817586813 632191746 /nfs/dbraw/zinc/19/17/46/632191746.db2.gz SKPGJQHQDVPLBO-CQSZACIVSA-N 1 0 277.408 3.355 20 10 CGCDRO CN(C)c1ccc([C@@H](N)C[NH2+][C@@H]2CCCC23CCC3)cc1 ZINC000817941943 632240773 /nfs/dbraw/zinc/24/07/73/632240773.db2.gz LXDMQJFTALSBSK-DLBZAZTESA-N 1 0 287.451 3.065 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H](N)c1ccccc1)c1ccc(C)cc1O ZINC000817954632 632249617 /nfs/dbraw/zinc/24/96/17/632249617.db2.gz FPJBRKWHKMGJBO-DLBZAZTESA-N 1 0 284.403 3.441 20 10 CGCDRO C[C@@H](CSC(C)(C)C)[NH2+]CCc1ccc(N)cc1 ZINC000817956227 632251138 /nfs/dbraw/zinc/25/11/38/632251138.db2.gz UKBAELYWJBEZIW-LBPRGKRZSA-N 1 0 266.454 3.321 20 10 CGCDRO Nc1ccc(CC[NH2+][C@H]2CCc3c2cccc3F)cc1 ZINC000817956457 632252152 /nfs/dbraw/zinc/25/21/52/632252152.db2.gz ZMMJETQVLCEWKD-KRWDZBQOSA-N 1 0 270.351 3.228 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](CN)CC(C)C)c1O ZINC000817958918 632255098 /nfs/dbraw/zinc/25/50/98/632255098.db2.gz MSMMQPAKDXRJON-WCQYABFASA-N 1 0 284.831 3.378 20 10 CGCDRO Oc1cccc2c1[C@@H](NCC[NH2+]C1CCCCCC1)CC2 ZINC000817960998 632256057 /nfs/dbraw/zinc/25/60/57/632256057.db2.gz VVPYFAGAGXTGLY-INIZCTEOSA-N 1 0 288.435 3.282 20 10 CGCDRO C[C@H]([NH2+]CC(C)(C)[NH3+])c1ccc(Cl)c(Cl)c1[O-] ZINC000817961125 632257669 /nfs/dbraw/zinc/25/76/69/632257669.db2.gz XLIOGJMLLDMJOW-ZETCQYMHSA-N 1 0 277.195 3.087 20 10 CGCDRO CCC[NH2+]CCN[C@@H](C)c1ccc2ccccc2c1O ZINC000817963031 632258688 /nfs/dbraw/zinc/25/86/88/632258688.db2.gz QUYMBGDUHSAYEE-ZDUSSCGKSA-N 1 0 272.392 3.196 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817964567 632259172 /nfs/dbraw/zinc/25/91/72/632259172.db2.gz CMGYILYDHKGVOY-KRTXAFLBSA-N 1 0 289.206 3.087 20 10 CGCDRO C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])cc1 ZINC000817963519 632259254 /nfs/dbraw/zinc/25/92/54/632259254.db2.gz TWQIZQRAXTYSOW-NEPJUHHUSA-N 1 0 288.366 3.402 20 10 CGCDRO CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817979892 632270307 /nfs/dbraw/zinc/27/03/07/632270307.db2.gz PZGCNRMIYYGDSC-YUMQZZPRSA-N 1 0 277.195 3.087 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCCC[NH2+]C1)c1cccc(Cl)c1[O-] ZINC000817984714 632274187 /nfs/dbraw/zinc/27/41/87/632274187.db2.gz XRWZIAZAAPFUGR-FZMZJTMJSA-N 1 0 282.815 3.228 20 10 CGCDRO CC[C@@H](N[C@H]1CCCC[NH2+]C1)c1cc(Cl)ccc1O ZINC000817984754 632275006 /nfs/dbraw/zinc/27/50/06/632275006.db2.gz ZDGRHAFOAZTIDF-GXTWGEPZSA-N 1 0 282.815 3.228 20 10 CGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)[C@H]3C[C@@H]3C)C2)cc1 ZINC000818222181 632299162 /nfs/dbraw/zinc/29/91/62/632299162.db2.gz QVCCHRAYUDWJTG-BORJPKMPSA-N 1 0 288.435 3.156 20 10 CGCDRO COc1cccc(C[NH2+][C@H]2C[C@@]2(F)c2ccccc2)c1O ZINC000818231077 632300126 /nfs/dbraw/zinc/30/01/26/632300126.db2.gz UUGWTXQLWOWSMK-DOTOQJQBSA-N 1 0 287.334 3.128 20 10 CGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H](C)C3CCC3)C2)cc1 ZINC000818345587 632311650 /nfs/dbraw/zinc/31/16/50/632311650.db2.gz WOZDNGCJZSNEKX-GJZGRUSLSA-N 1 0 288.435 3.300 20 10 CGCDRO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000818941654 632355011 /nfs/dbraw/zinc/35/50/11/632355011.db2.gz NASQMWMXYUPRIG-BEFAXECRSA-N 1 0 298.430 3.007 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H](C)c2ccc(NC(N)=O)cc2)c1 ZINC000103855635 632744398 /nfs/dbraw/zinc/74/43/98/632744398.db2.gz ODPAMQSLQRABMN-GFCCVEGCSA-N 1 0 299.374 3.042 20 10 CGCDRO C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000105446922 635832280 /nfs/dbraw/zinc/83/22/80/635832280.db2.gz RJJMVJMRDKODEY-CYBMUJFWSA-N 1 0 283.371 3.048 20 10 CGCDRO CCOc1ccc(C[NH2+]C(C)(C)[C@@H]2CCCCO2)c(O)c1 ZINC000865746819 632876615 /nfs/dbraw/zinc/87/66/15/632876615.db2.gz PRQYFBJFTPWIOY-INIZCTEOSA-N 1 0 293.407 3.228 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCC23CCOCC3)cc1C ZINC000865778298 632887630 /nfs/dbraw/zinc/88/76/30/632887630.db2.gz SNZDTEHBAIBBLJ-INIZCTEOSA-N 1 0 289.419 3.305 20 10 CGCDRO CC(C)n1cncc1C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000822438633 632926652 /nfs/dbraw/zinc/92/66/52/632926652.db2.gz LJZIJZKSZNMMEG-UHFFFAOYSA-N 1 0 286.423 3.162 20 10 CGCDRO C[C@H](Cc1ccoc1)[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000823729959 633146423 /nfs/dbraw/zinc/14/64/23/633146423.db2.gz PQYCLWNFXYKQBU-CQSZACIVSA-N 1 0 284.403 3.383 20 10 CGCDRO COCC1CCC([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC000823752017 633148514 /nfs/dbraw/zinc/14/85/14/633148514.db2.gz AUSANNRLGQFCBB-UHFFFAOYSA-N 1 0 277.408 3.298 20 10 CGCDRO Cc1cnc(C[NH2+]CCCSc2nccs2)s1 ZINC000823938213 633170547 /nfs/dbraw/zinc/17/05/47/633170547.db2.gz VTGZBPSMTDLJRW-UHFFFAOYSA-N 1 0 285.463 3.180 20 10 CGCDRO CC[C@@H]([NH2+]CCN1CCC[C@H](C)C1)c1ccccc1O ZINC000121102320 633171709 /nfs/dbraw/zinc/17/17/09/633171709.db2.gz HFFZXJBSUQCPEN-GOEBONIOSA-N 1 0 276.424 3.165 20 10 CGCDRO CN1Cc2ccccc2[C@H]1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000866563505 633195278 /nfs/dbraw/zinc/19/52/78/633195278.db2.gz NAYGLMBNXOSKAI-DLBZAZTESA-N 1 0 294.398 3.156 20 10 CGCDRO C[C@@H]([NH2+]CCc1cn(C)c2ncccc12)c1ccccc1O ZINC000866569935 633199003 /nfs/dbraw/zinc/19/90/03/633199003.db2.gz CAKNJMVWCFMOHU-CYBMUJFWSA-N 1 0 295.386 3.172 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccncc1F)c1ccc(N(C)C)cc1 ZINC000824195408 633210394 /nfs/dbraw/zinc/21/03/94/633210394.db2.gz DJJFCWIZQOZQSC-GFCCVEGCSA-N 1 0 273.355 3.138 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1O)c1ccnn1C ZINC000866612655 633212529 /nfs/dbraw/zinc/21/25/29/633212529.db2.gz AYEVQEAVVBHKAS-VHSXEESVSA-N 1 0 279.771 3.191 20 10 CGCDRO CC[C@H](C[C@@H](C)O)[NH2+][C@H](CC)c1ccc(C)cc1O ZINC000866633950 633222335 /nfs/dbraw/zinc/22/23/35/633222335.db2.gz NCPNEZUQNYQKID-UMVBOHGHSA-N 1 0 265.397 3.291 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCn3nccc32)c1 ZINC000866634351 633223180 /nfs/dbraw/zinc/22/31/80/633223180.db2.gz QWDHXXMRTYRQBH-TZMCWYRMSA-N 1 0 271.364 3.083 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CC[C@@H](O)C2CCCC2)c1 ZINC000866638626 633227086 /nfs/dbraw/zinc/22/70/86/633227086.db2.gz RXRCTQHNBRWVSQ-XJKSGUPXSA-N 1 0 277.408 3.292 20 10 CGCDRO COc1cccc(C[NH2+]Cc2cccc(C)c2F)c1O ZINC000824383908 633239727 /nfs/dbraw/zinc/23/97/27/633239727.db2.gz WISMBLUELFLGBM-UHFFFAOYSA-N 1 0 275.323 3.138 20 10 CGCDRO CC[C@H]1CCC[C@@H]1C[NH2+]Cc1cccc(OC)c1O ZINC000824653489 633268520 /nfs/dbraw/zinc/26/85/20/633268520.db2.gz BUESMXQJZZAITE-QWHCGFSZSA-N 1 0 263.381 3.317 20 10 CGCDRO COc1cccc(O)c1C[NH2+]C[C@@]1(C)CC1(Cl)Cl ZINC000824766423 633285607 /nfs/dbraw/zinc/28/56/07/633285607.db2.gz ULAGQOYSKPWTMH-GFCCVEGCSA-N 1 0 290.190 3.074 20 10 CGCDRO CC1(C)CC[N@@H+]1Cc1ccc(Br)cc1O ZINC000824826372 633296391 /nfs/dbraw/zinc/29/63/91/633296391.db2.gz ZAZUYBVGOHABND-UHFFFAOYSA-N 1 0 270.170 3.139 20 10 CGCDRO COc1cccc2c1C[N@H+](Cc1cc(F)ccc1O)CC2 ZINC000824982242 633314030 /nfs/dbraw/zinc/31/40/30/633314030.db2.gz CWSZNGXXIADORT-UHFFFAOYSA-N 1 0 287.334 3.098 20 10 CGCDRO CCn1ccnc1[C@H](C)[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000825005357 633316998 /nfs/dbraw/zinc/31/69/98/633316998.db2.gz IITDEZSETVRGDK-NEPJUHHUSA-N 1 0 289.379 3.029 20 10 CGCDRO COCC[N@H+](Cc1c(C)cccc1O)C1CCCC1 ZINC000876599902 634865851 /nfs/dbraw/zinc/86/58/51/634865851.db2.gz CKHGKVANJUPITL-UHFFFAOYSA-N 1 0 263.381 3.092 20 10 CGCDRO CCc1ncc(C[NH2+][C@H](CC)c2ccccc2O)o1 ZINC000825079330 633326245 /nfs/dbraw/zinc/32/62/45/633326245.db2.gz RNVFVKQRFOXBOY-CYBMUJFWSA-N 1 0 260.337 3.184 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C2CCN(C3CC3)CC2)cc1Cl ZINC000825078333 633326392 /nfs/dbraw/zinc/32/63/92/633326392.db2.gz YIHYHKNBVHOWRZ-UHFFFAOYSA-N 1 0 294.826 3.070 20 10 CGCDRO CCCc1ncc(C[NH2+]Cc2cccc(OCC)c2O)o1 ZINC000825084345 633327156 /nfs/dbraw/zinc/32/71/56/633327156.db2.gz FAFFTSDJMVJIDG-UHFFFAOYSA-N 1 0 290.363 3.021 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]C2(C3(C)CC3)CC2)c1 ZINC000825124451 633330668 /nfs/dbraw/zinc/33/06/68/633330668.db2.gz QBSKLVIEXFODAQ-UHFFFAOYSA-N 1 0 261.365 3.213 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CC(C)(C)C2(O)CCCC2)cc1C ZINC000825231789 633337840 /nfs/dbraw/zinc/33/78/40/633337840.db2.gz IEQZUKJADXKPCI-UHFFFAOYSA-N 1 0 291.435 3.430 20 10 CGCDRO CO[C@@H](C[NH2+]Cc1cc(Cl)c(C)cc1O)C(C)C ZINC000825321156 633344479 /nfs/dbraw/zinc/34/44/79/633344479.db2.gz TVNPFCAJLNWMNQ-AWEZNQCLSA-N 1 0 271.788 3.115 20 10 CGCDRO CS[C@H](C)C[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825365970 633349121 /nfs/dbraw/zinc/34/91/21/633349121.db2.gz PPQUDENCWRAASG-SECBINFHSA-N 1 0 259.802 3.195 20 10 CGCDRO CS[C@@H](C)C[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825365971 633349391 /nfs/dbraw/zinc/34/93/91/633349391.db2.gz PPQUDENCWRAASG-VIFPVBQESA-N 1 0 259.802 3.195 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCC=CO2)cc1Cl ZINC000825622472 633368307 /nfs/dbraw/zinc/36/83/07/633368307.db2.gz VPFQOWZDALIROB-LBPRGKRZSA-N 1 0 267.756 3.136 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2CCCC[C@H]2C[C@H](C)O)cc1Cl ZINC000825731035 633377620 /nfs/dbraw/zinc/37/76/20/633377620.db2.gz CIZDJWWHHKTRLA-JSGCOSHPSA-N 1 0 297.826 3.479 20 10 CGCDRO COCC1(C[NH2+]Cc2cc(Cl)c(C)cc2O)CCC1 ZINC000825773669 633381376 /nfs/dbraw/zinc/38/13/76/633381376.db2.gz MZZSWTGVDBVWBR-UHFFFAOYSA-N 1 0 283.799 3.260 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@]3(C2)CCCOC3)cc1Cl ZINC000825842610 633383482 /nfs/dbraw/zinc/38/34/82/633383482.db2.gz ASXQZSCHHBFUSZ-MRXNPFEDSA-N 1 0 295.810 3.357 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)CSCCF)c1 ZINC000825934399 633390164 /nfs/dbraw/zinc/39/01/64/633390164.db2.gz INTGCNRLEJPRBA-QWRGUYRKSA-N 1 0 287.400 3.143 20 10 CGCDRO CCc1ncc(C[NH2+]Cc2cc(Cl)c(C)cc2O)o1 ZINC000826090072 633404166 /nfs/dbraw/zinc/40/41/66/633404166.db2.gz VFKHNIWCEOOTHA-UHFFFAOYSA-N 1 0 280.755 3.194 20 10 CGCDRO COc1ccc(N2CC[C@@H]([NH2+]CCC(C)(C)C)C2)cc1 ZINC000826845523 633437015 /nfs/dbraw/zinc/43/70/15/633437015.db2.gz KCCSXYKHHNUNHI-CQSZACIVSA-N 1 0 276.424 3.300 20 10 CGCDRO COc1cccc(OC)c1C[NH2+]Cc1cccc(C)c1O ZINC000826921333 633443932 /nfs/dbraw/zinc/44/39/32/633443932.db2.gz PBPWJWOZWCIVNI-UHFFFAOYSA-N 1 0 287.359 3.008 20 10 CGCDRO Cc1cc(Cl)cc(C[N@H+]2C[C@]3(C)COC[C@]3(C)C2)c1O ZINC000827017470 633448955 /nfs/dbraw/zinc/44/89/55/633448955.db2.gz DXLPLHGTSRNFFI-IYBDPMFKSA-N 1 0 295.810 3.212 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+]C[C@]2(C)CC2(F)F)c1O ZINC000827251614 633475352 /nfs/dbraw/zinc/47/53/52/633475352.db2.gz JCOXYXJZNMBROF-LBPRGKRZSA-N 1 0 275.726 3.489 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCC[C@@H](C)O2)cc1Cl ZINC000827252043 633475389 /nfs/dbraw/zinc/47/53/89/633475389.db2.gz URKULTGOJJRORC-DGCLKSJQSA-N 1 0 283.799 3.401 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H]3COC[C@@]3(C)C2)cc1 ZINC000827281021 633478611 /nfs/dbraw/zinc/47/86/11/633478611.db2.gz HVOOUMKCEGOQKM-SJLPKXTDSA-N 1 0 288.435 3.001 20 10 CGCDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000827376795 633486763 /nfs/dbraw/zinc/48/67/63/633486763.db2.gz HVKJFTZVQFDJDA-GUYCJALGSA-N 1 0 293.382 3.312 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)c1 ZINC000827377479 633487294 /nfs/dbraw/zinc/48/72/94/633487294.db2.gz ZCUYHKJFTINDGH-YJBOKZPZSA-N 1 0 289.419 3.482 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CC[C@H](CO)CC2)cc1 ZINC000121363585 633497967 /nfs/dbraw/zinc/49/79/67/633497967.db2.gz VIKNDGFZHFKUPC-YQQAZPJKSA-N 1 0 290.451 3.344 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@H+](C)CC1=CCSC1 ZINC000827812281 633520151 /nfs/dbraw/zinc/52/01/51/633520151.db2.gz IFVSIEOPEOHMEV-UHFFFAOYSA-N 1 0 276.449 3.166 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCCc3n[nH]cc3C2)c(Cl)c1 ZINC000828008913 633548309 /nfs/dbraw/zinc/54/83/09/633548309.db2.gz GGWSJGHDVYWRES-UHFFFAOYSA-N 1 0 291.782 3.026 20 10 CGCDRO Cc1cnc(CC[N@@H+](C)Cc2ccccc2O)c(C)c1 ZINC000828062455 633555709 /nfs/dbraw/zinc/55/57/09/633555709.db2.gz JLRJAOIOOMTZEP-UHFFFAOYSA-N 1 0 270.376 3.079 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@@](C)(O)c1ccccc1 ZINC000846038195 636134643 /nfs/dbraw/zinc/13/46/43/636134643.db2.gz LVKRWXILAIAYNN-HNAYVOBHSA-N 1 0 298.430 3.138 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2C[C@H]3CCC[C@H]3O2)c1 ZINC000872109879 634034312 /nfs/dbraw/zinc/03/43/12/634034312.db2.gz TULXLVQRBBTIPB-QDEZUTFSSA-N 1 0 275.392 3.309 20 10 CGCDRO Oc1cccc2c1CN(c1cc[nH+]cc1C1CC1)C2 ZINC000872622284 634178887 /nfs/dbraw/zinc/17/88/87/634178887.db2.gz CQBKDCHVVIMPCQ-UHFFFAOYSA-N 1 0 252.317 3.185 20 10 CGCDRO CO[C@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)cc2C)C12CCC2 ZINC000834590160 634192670 /nfs/dbraw/zinc/19/26/70/634192670.db2.gz RSVPYBBAOXWWMF-SJORKVTESA-N 1 0 288.435 3.108 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]CCCSc2nccs2)c2nccn21 ZINC000834592404 634193071 /nfs/dbraw/zinc/19/30/71/634193071.db2.gz ACCAWOODGXBTRM-GHMZBOCLSA-N 1 0 294.449 3.117 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]CCc1cc(F)ccc1F)CC2 ZINC000834611434 634197169 /nfs/dbraw/zinc/19/71/69/634197169.db2.gz KBUIAMQZQYACNW-OAHLLOKOSA-N 1 0 289.325 3.490 20 10 CGCDRO Cc1ccncc1[C@@H](C)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834629746 634202681 /nfs/dbraw/zinc/20/26/81/634202681.db2.gz OQKNDVXLIZLJMB-DOMZBBRYSA-N 1 0 268.360 3.434 20 10 CGCDRO C[C@H](C[NH2+][C@H]1CCc2cccc(O)c21)Oc1ccccc1 ZINC000834649903 634208272 /nfs/dbraw/zinc/20/82/72/634208272.db2.gz BMJHJBIGAIOJPP-CJNGLKHVSA-N 1 0 283.371 3.437 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]Cc1ccc3c(c1)COC3)CC2 ZINC000834685227 634220037 /nfs/dbraw/zinc/22/00/37/634220037.db2.gz MLRMDSFTLHIKNV-MRXNPFEDSA-N 1 0 281.355 3.200 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]CCC[C@H]1CCCC[C@@H]1O)CC2 ZINC000834684891 634220121 /nfs/dbraw/zinc/22/01/21/634220121.db2.gz AHZPJRSBOXRFNR-BMFZPTHFSA-N 1 0 289.419 3.300 20 10 CGCDRO CO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)C12CCC2 ZINC000834768688 634239067 /nfs/dbraw/zinc/23/90/67/634239067.db2.gz DPGCZJZJAJCTCP-IAOVAPTHSA-N 1 0 288.435 3.361 20 10 CGCDRO OC[C@H](C[NH2+][C@@H]1CCc2cccc(O)c21)C1CCCCC1 ZINC000834810278 634245976 /nfs/dbraw/zinc/24/59/76/634245976.db2.gz AZXGWVJXRMIETN-JKSUJKDBSA-N 1 0 289.419 3.158 20 10 CGCDRO CCCOc1ccc(C[NH2+]CCC[C@@H](C)O)cc1C ZINC000873115692 634248957 /nfs/dbraw/zinc/24/89/57/634248957.db2.gz NDHWTZMXFCJFIG-CQSZACIVSA-N 1 0 265.397 3.034 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCn2ccnc21)c1cc2c(cc1O)CCCC2 ZINC000834829999 634250650 /nfs/dbraw/zinc/25/06/50/634250650.db2.gz AWGXOUZUZWGDNE-MLGOLLRUSA-N 1 0 297.402 3.263 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CCn3ccnc32)c1O ZINC000834832422 634252069 /nfs/dbraw/zinc/25/20/69/634252069.db2.gz OZBJGSUDKXSBMQ-MFKMUULPSA-N 1 0 291.782 3.346 20 10 CGCDRO CC[C@@H]([NH2+][C@H]1CCn2ccnc21)c1ccc(N(C)C)cc1 ZINC000834835286 634252533 /nfs/dbraw/zinc/25/25/33/634252533.db2.gz HDPCXFLVLLIRLU-CVEARBPZSA-N 1 0 284.407 3.135 20 10 CGCDRO C[C@@H]([NH2+]CCC(C)(C)CO)c1cc2c(cc1O)CCCC2 ZINC000834871560 634261184 /nfs/dbraw/zinc/26/11/84/634261184.db2.gz RGRZPXLTAOQKCX-CYBMUJFWSA-N 1 0 291.435 3.330 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCOC2(C)C)cc1 ZINC000834874375 634261985 /nfs/dbraw/zinc/26/19/85/634261985.db2.gz CVZIKBNZWGXGDQ-CZUORRHYSA-N 1 0 276.424 3.361 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@H]1CCOC3(CCC3)C1)CC2 ZINC000834881798 634264470 /nfs/dbraw/zinc/26/44/70/634264470.db2.gz BGNVETDPCDFKKY-ZFWWWQNUSA-N 1 0 287.403 3.318 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]C[C@H]1CCOC3(CCC3)C1)CC2 ZINC000834881794 634264899 /nfs/dbraw/zinc/26/48/99/634264899.db2.gz BGNVETDPCDFKKY-DZGCQCFKSA-N 1 0 287.403 3.318 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1CCOC2(CCC2)C1)c1ccccc1O ZINC000834884296 634266532 /nfs/dbraw/zinc/26/65/32/634266532.db2.gz YQZRYJZQPJDHJK-ZIAGYGMSSA-N 1 0 275.392 3.392 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1CCOC2(CCC2)C1)c1ccccc1O ZINC000834884294 634266595 /nfs/dbraw/zinc/26/65/95/634266595.db2.gz YQZRYJZQPJDHJK-UONOGXRCSA-N 1 0 275.392 3.392 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1CCOC2(CCC2)C1)c1ccccc1O ZINC000834884289 634266901 /nfs/dbraw/zinc/26/69/01/634266901.db2.gz YQZRYJZQPJDHJK-KBPBESRZSA-N 1 0 275.392 3.392 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H](C)Cc2cnn(C)c2)c(O)c1C ZINC000834895937 634273244 /nfs/dbraw/zinc/27/32/44/634273244.db2.gz FLSCCHDWDZCIGL-OCCSQVGLSA-N 1 0 287.407 3.024 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)Cc1cnn(C)c1)c1ccc(C)cc1O ZINC000834898078 634274610 /nfs/dbraw/zinc/27/46/10/634274610.db2.gz YUKFQNPXJBWPAQ-CJNGLKHVSA-N 1 0 287.407 3.106 20 10 CGCDRO CCOc1ccc(C[NH2+]C2(C)CC(F)(F)C2)c(O)c1 ZINC000873198123 634282380 /nfs/dbraw/zinc/28/23/80/634282380.db2.gz RIIBAGSNGITQRT-UHFFFAOYSA-N 1 0 271.307 3.068 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H]1Cc2ccccc2CN1)c1ccccc1O ZINC000873295000 634323641 /nfs/dbraw/zinc/32/36/41/634323641.db2.gz XFEJHBHQFMJTCU-FUHWJXTLSA-N 1 0 296.414 3.147 20 10 CGCDRO CCN(CC)[C@H](C)C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835035156 634326925 /nfs/dbraw/zinc/32/69/25/634326925.db2.gz GDTYNFMPYGAQNN-HLRDLLSLSA-N 1 0 289.467 3.086 20 10 CGCDRO C[C@@H]1CC([NH2+]C/C=C/c2ccc(N(C)C)cc2)C[C@@H](C)O1 ZINC000835042618 634330186 /nfs/dbraw/zinc/33/01/86/634330186.db2.gz WEUYWBXVJGJYET-XEVLESSRSA-N 1 0 288.435 3.311 20 10 CGCDRO CN(C)c1ccc(/C=C/C[N@H+](C)[C@H]2CC[C@H](O)CC2)cc1 ZINC000835045016 634332463 /nfs/dbraw/zinc/33/24/63/634332463.db2.gz HQFYXKZGCDQBFE-IXFYRXCXSA-N 1 0 288.435 3.001 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+]CCOCC2CCC2)cc1 ZINC000835047687 634334216 /nfs/dbraw/zinc/33/42/16/634334216.db2.gz UJKJUOVOQKEVHY-QPJJXVBHSA-N 1 0 288.435 3.172 20 10 CGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@H](OC(F)F)C2)cc1 ZINC000835050737 634336047 /nfs/dbraw/zinc/33/60/47/634336047.db2.gz WUCXJVYSTKSPKC-JZIMQPMSSA-N 1 0 296.361 3.079 20 10 CGCDRO Cc1ccoc1C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835052282 634337328 /nfs/dbraw/zinc/33/73/28/634337328.db2.gz DVHDCWINYPISLO-PLNGDYQASA-N 1 0 270.376 3.457 20 10 CGCDRO Cc1ncsc1C[N@@H+](C)Cc1ccc(C)cc1O ZINC000876688680 634880965 /nfs/dbraw/zinc/88/09/65/634880965.db2.gz VHLUNGXBAPXOCJ-UHFFFAOYSA-N 1 0 262.378 3.098 20 10 CGCDRO C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000876897195 634923338 /nfs/dbraw/zinc/92/33/38/634923338.db2.gz QXGVTQMLPOOSAP-GFCCVEGCSA-N 1 0 298.377 3.025 20 10 CGCDRO CCc1nc(C[NH2+]Cc2c(C)cccc2O)cs1 ZINC000877011781 634949872 /nfs/dbraw/zinc/94/98/72/634949872.db2.gz IJQHNXYVXWPZIG-UHFFFAOYSA-N 1 0 262.378 3.009 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1CC1(Cl)Cl ZINC000877030552 634955568 /nfs/dbraw/zinc/95/55/68/634955568.db2.gz FRUJRAAAARBCSU-LBPRGKRZSA-N 1 0 287.234 3.344 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]C[C@H](O)c1ccccc1Cl ZINC000877055577 634965836 /nfs/dbraw/zinc/96/58/36/634965836.db2.gz QGBXSTGTKJIPLL-INIZCTEOSA-N 1 0 291.778 3.177 20 10 CGCDRO Cc1noc(C)c1[C@@H](C)C[NH2+]Cc1c(C)cccc1O ZINC000877112759 634987530 /nfs/dbraw/zinc/98/75/30/634987530.db2.gz YUUZTWJMIHAUNI-NSHDSACASA-N 1 0 274.364 3.199 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]CCCc1cccs1 ZINC000877119872 634990096 /nfs/dbraw/zinc/99/00/96/634990096.db2.gz BYYBZXMMECTXDX-UHFFFAOYSA-N 1 0 261.390 3.485 20 10 CGCDRO Cc1ccc(C[N@@H+](C)[C@@H](C)c2ccncc2)c(O)c1 ZINC000877317358 635024640 /nfs/dbraw/zinc/02/46/40/635024640.db2.gz KWLPQAFBTFHKST-ZDUSSCGKSA-N 1 0 256.349 3.289 20 10 CGCDRO CC(C)O[C@H]1C[C@@H]([NH2+][C@H](C)c2cc(F)ccc2O)C1 ZINC000840764418 635049137 /nfs/dbraw/zinc/04/91/37/635049137.db2.gz PGTSCCMMQITFTL-RTXFEEFZSA-N 1 0 267.344 3.138 20 10 CGCDRO COCC[C@@H](C)C[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000840836248 635060726 /nfs/dbraw/zinc/06/07/26/635060726.db2.gz WLVJGKRULQHRPR-MNOVXSKESA-N 1 0 271.788 3.369 20 10 CGCDRO COCC[C@H](C)C[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000840835737 635060701 /nfs/dbraw/zinc/06/07/01/635060701.db2.gz PDZOFLICKUYBID-GVXVVHGQSA-N 1 0 281.371 3.342 20 10 CGCDRO Cc1ccc(C[N@H+]2CCCCC[C@@H]2C[C@H](C)O)c(O)c1 ZINC000877517344 635067218 /nfs/dbraw/zinc/06/72/18/635067218.db2.gz NGBYVTOKWDTZST-GOEBONIOSA-N 1 0 277.408 3.216 20 10 CGCDRO CCn1cc[nH+]c1NCc1c(O)ccc(Cl)c1F ZINC000840888071 635076340 /nfs/dbraw/zinc/07/63/40/635076340.db2.gz WZZYLFXYKRAAPN-UHFFFAOYSA-N 1 0 269.707 3.013 20 10 CGCDRO COCC[C@H](C)[NH2+][C@H](C)Cc1ccc(N(C)C)cc1C ZINC000840892602 635077074 /nfs/dbraw/zinc/07/70/74/635077074.db2.gz BOFZHNGYRYMXTG-LSDHHAIUSA-N 1 0 278.440 3.007 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCC[C@H](CO)C2)c(O)c1 ZINC000840893617 635077412 /nfs/dbraw/zinc/07/74/12/635077412.db2.gz JJYVAUJXAJKMSH-SOUVJXGZSA-N 1 0 277.408 3.211 20 10 CGCDRO CO[C@H]1CCC[C@@H]1C[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840908053 635080298 /nfs/dbraw/zinc/08/02/98/635080298.db2.gz NXYQBDXBNJDUTG-ABAIWWIYSA-N 1 0 283.799 3.259 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)c(Cl)c1 ZINC000840916228 635081577 /nfs/dbraw/zinc/08/15/77/635081577.db2.gz HXUGPPRGWJMQBT-QWHCGFSZSA-N 1 0 295.810 3.212 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)c1ccc[nH]1 ZINC000840936261 635086273 /nfs/dbraw/zinc/08/62/73/635086273.db2.gz HTGXPRVPJSQIDT-CYBMUJFWSA-N 1 0 257.381 3.240 20 10 CGCDRO CCOC(C)(C)C[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840939751 635087289 /nfs/dbraw/zinc/08/72/89/635087289.db2.gz PWCKTVXTYWJFOX-UHFFFAOYSA-N 1 0 271.788 3.259 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]C[C@@H]1CCOC2(CCC2)C1 ZINC000877564832 635093194 /nfs/dbraw/zinc/09/31/94/635093194.db2.gz MFXCHXQCVQAVDY-CQSZACIVSA-N 1 0 275.392 3.140 20 10 CGCDRO Cc1ccc(C[NH2+]C[C@@]2(C)CC2(Cl)Cl)c(O)c1 ZINC000877564463 635093596 /nfs/dbraw/zinc/09/35/96/635093596.db2.gz BIHUEPAIDFAEAI-GFCCVEGCSA-N 1 0 274.191 3.374 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCCC[C@H]2F)c1O ZINC000840962930 635095012 /nfs/dbraw/zinc/09/50/12/635095012.db2.gz OGMAGXJGBHMLBY-VXGBXAGGSA-N 1 0 287.762 3.425 20 10 CGCDRO COC1([C@@H](C)[NH2+]Cc2cc(C)c(C)cc2O)CCC1 ZINC000840969580 635096841 /nfs/dbraw/zinc/09/68/41/635096841.db2.gz JEUHILCWLFKXAE-CYBMUJFWSA-N 1 0 263.381 3.056 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](C)C2(OC)CCC2)cc1C ZINC000840969576 635097188 /nfs/dbraw/zinc/09/71/88/635097188.db2.gz IZEJIWMKKBVZHJ-ZDUSSCGKSA-N 1 0 263.381 3.051 20 10 CGCDRO Cc1cc(C[NH2+][C@@H](C)Cc2ccc(N(C)C)cc2C)no1 ZINC000840976592 635098972 /nfs/dbraw/zinc/09/89/72/635098972.db2.gz OMLPZSWPTTYGGT-ZDUSSCGKSA-N 1 0 287.407 3.078 20 10 CGCDRO CC(C)Oc1ccc(N(C)C[C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000841024617 635108555 /nfs/dbraw/zinc/10/85/55/635108555.db2.gz WILQNAOVWVBRJS-CABCVRRESA-N 1 0 276.424 3.298 20 10 CGCDRO CCn1cc(C[N@H+](Cc2ccc(C)cc2O)C(C)C)cn1 ZINC000877612041 635112155 /nfs/dbraw/zinc/11/21/55/635112155.db2.gz BLNMRCQEJPIJPM-UHFFFAOYSA-N 1 0 287.407 3.328 20 10 CGCDRO Cc1ccc(C)c(C[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)c1 ZINC000841040223 635112274 /nfs/dbraw/zinc/11/22/74/635112274.db2.gz IYFGTWOFVCIRAZ-IBGZPJMESA-N 1 0 297.446 3.159 20 10 CGCDRO CC[NH2+]Cc1ccccc1NCc1ccc(N(C)C)cc1 ZINC000841041956 635113612 /nfs/dbraw/zinc/11/36/12/635113612.db2.gz CPDOEVGFFHAKDS-UHFFFAOYSA-N 1 0 283.419 3.474 20 10 CGCDRO CC[NH2+]Cc1cccc(NCc2c(O)cccc2OC)c1 ZINC000841043778 635113622 /nfs/dbraw/zinc/11/36/22/635113622.db2.gz UGUVHEUMRPKJSP-UHFFFAOYSA-N 1 0 286.375 3.122 20 10 CGCDRO [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000841054969 635115314 /nfs/dbraw/zinc/11/53/14/635115314.db2.gz IZEHETQHKDUQTI-GHMZBOCLSA-N 1 0 289.206 3.059 20 10 CGCDRO CSC1CC[NH+](Cc2c(C)cccc2O)CC1 ZINC000877663404 635137369 /nfs/dbraw/zinc/13/73/69/635137369.db2.gz QKIOACHEHKYGLI-UHFFFAOYSA-N 1 0 251.395 3.028 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H](O)C[C@H]2c2ccccc2)c1 ZINC000877674887 635142892 /nfs/dbraw/zinc/14/28/92/635142892.db2.gz WKEFTADYIZTCKA-ROUUACIJSA-N 1 0 297.398 3.399 20 10 CGCDRO Cc1ncc([C@H](C)[NH2+]Cc2cccc(C)c2O)s1 ZINC000877685404 635146078 /nfs/dbraw/zinc/14/60/78/635146078.db2.gz XRXSNEZMSYUWPP-JTQLQIEISA-N 1 0 262.378 3.316 20 10 CGCDRO C[C@@H]([NH2+]C1CC(CF)(CF)C1)c1ccccc1O ZINC000877756014 635186198 /nfs/dbraw/zinc/18/61/98/635186198.db2.gz YRIPBFWCFJFROC-SNVBAGLBSA-N 1 0 255.308 3.131 20 10 CGCDRO C[C@H]([NH2+]C1CC(CF)(CF)C1)c1ccccc1O ZINC000877758406 635187683 /nfs/dbraw/zinc/18/76/83/635187683.db2.gz YRIPBFWCFJFROC-JTQLQIEISA-N 1 0 255.308 3.131 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@@H]2C[C@@H]3CCC[C@H]3O2)c1O ZINC000877805240 635207789 /nfs/dbraw/zinc/20/77/89/635207789.db2.gz JFZJPHGLGFNAGT-CWRNSKLLSA-N 1 0 275.392 3.002 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]CC1(OC(C)C)CCC1 ZINC000877805920 635209269 /nfs/dbraw/zinc/20/92/69/635209269.db2.gz AGDBAYALFBYFQB-UHFFFAOYSA-N 1 0 263.381 3.138 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(Cl)cc1[O-] ZINC000841745094 635222188 /nfs/dbraw/zinc/22/21/88/635222188.db2.gz NFKUIIUOAGJEEF-NEPJUHHUSA-N 1 0 294.826 3.181 20 10 CGCDRO C[C@H]([NH2+][C@@H](CO)CC(C)(C)C)c1ccc(Cl)cc1O ZINC000841752255 635225846 /nfs/dbraw/zinc/22/58/46/635225846.db2.gz RUYBNEQPWKMEON-CMPLNLGQSA-N 1 0 285.815 3.493 20 10 CGCDRO CC[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841752422 635226854 /nfs/dbraw/zinc/22/68/54/635226854.db2.gz ARJYNYMXCJGCLU-IUPBHXKESA-N 1 0 269.772 3.264 20 10 CGCDRO Cc1ncc(C[NH2+][C@H](C)c2ccc(Cl)cc2O)o1 ZINC000841752514 635227231 /nfs/dbraw/zinc/22/72/31/635227231.db2.gz BCTVSKOJCIJDRD-MRVPVSSYSA-N 1 0 266.728 3.193 20 10 CGCDRO CCOC[C@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841753821 635227703 /nfs/dbraw/zinc/22/77/03/635227703.db2.gz WUZXIKZVWKNOLC-VHSXEESVSA-N 1 0 257.761 3.121 20 10 CGCDRO C[C@H]([NH2+][C@H]1C[C@H](C)N(C2CC2)C1)c1ccc(Cl)cc1O ZINC000841758495 635231035 /nfs/dbraw/zinc/23/10/35/635231035.db2.gz MFQXPUCICQILNR-GVXVVHGQSA-N 1 0 294.826 3.321 20 10 CGCDRO C[C@@H]([NH2+][C@H]1C[C@@](C)(O)C1)c1ccc2ccccc2c1O ZINC000841760023 635233349 /nfs/dbraw/zinc/23/33/49/635233349.db2.gz RJMLEGONJOAMOC-NDGTYSDOSA-N 1 0 271.360 3.109 20 10 CGCDRO CN(C)C1(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000841890888 635247436 /nfs/dbraw/zinc/24/74/36/635247436.db2.gz GHTGDXUANYXHCB-UHFFFAOYSA-N 1 0 296.414 3.243 20 10 CGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H](CC)OC ZINC000842153423 635298769 /nfs/dbraw/zinc/29/87/69/635298769.db2.gz UGBBEZFRUGKTLT-CQSZACIVSA-N 1 0 251.370 3.029 20 10 CGCDRO CCOc1cccc(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)C2)c1O ZINC000842760751 635462805 /nfs/dbraw/zinc/46/28/05/635462805.db2.gz LVENMCDMNXBQHX-OKILXGFUSA-N 1 0 293.407 3.227 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCCC(C)(C)O2)c1 ZINC000878361041 635474453 /nfs/dbraw/zinc/47/44/53/635474453.db2.gz VYLFIOLLSVMTKM-GXTWGEPZSA-N 1 0 293.407 3.399 20 10 CGCDRO Oc1ccccc1CN(Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000843052114 635549123 /nfs/dbraw/zinc/54/91/23/635549123.db2.gz GLROOTLASBJYKX-GOSISDBHSA-N 1 0 296.414 3.146 20 10 CGCDRO CN(C)c1ccc(CN2CCCc3cc(C[NH3+])ccc32)cc1 ZINC000843057485 635553470 /nfs/dbraw/zinc/55/34/70/635553470.db2.gz OYPBWENLEGPYKL-UHFFFAOYSA-N 1 0 295.430 3.164 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)NCc2cscn2)cc1 ZINC000127307132 635619381 /nfs/dbraw/zinc/61/93/81/635619381.db2.gz BCMPHTPADSRBGL-GFCCVEGCSA-N 1 0 275.421 3.450 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)cc1C ZINC000121538422 635647208 /nfs/dbraw/zinc/64/72/08/635647208.db2.gz HIYFDOYGQUDYHW-CXAGYDPISA-N 1 0 299.418 3.289 20 10 CGCDRO CCN(C)c1ccc(CN(C)Cc2ccns2)cc1 ZINC000878899427 635653539 /nfs/dbraw/zinc/65/35/39/635653539.db2.gz JBZCRVCYUGIHDR-UHFFFAOYSA-N 1 0 275.421 3.231 20 10 CGCDRO Cc1cc(O)c(C[NH+]2CC(C)(CC(F)F)C2)cc1C ZINC000843424865 635669821 /nfs/dbraw/zinc/66/98/21/635669821.db2.gz NRXYSMNOWKJXMP-UHFFFAOYSA-N 1 0 269.335 3.486 20 10 CGCDRO Cc1cccc(C[NH2+]CC2CCC(F)CC2)c1O ZINC000843433430 635675047 /nfs/dbraw/zinc/67/50/47/635675047.db2.gz ZUCUZPLSOLIETD-UHFFFAOYSA-N 1 0 251.345 3.319 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H](O)[C@@H](C)c1ccccc1)c1ccccc1O ZINC000879648834 635826859 /nfs/dbraw/zinc/82/68/59/635826859.db2.gz BIOCAROHMHKQAR-PMUMKWKESA-N 1 0 285.387 3.207 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)c1ccccc1)c1ccccc1O ZINC000879648878 635827204 /nfs/dbraw/zinc/82/72/04/635827204.db2.gz FOQZUWVBVGEDEK-KGLIPLIRSA-N 1 0 298.386 3.094 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CNc3ccccc3C2)c1 ZINC000844919282 635983620 /nfs/dbraw/zinc/98/36/20/635983620.db2.gz DKGKTUOWACFMIN-JSGCOSHPSA-N 1 0 298.386 3.088 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CNc2ccccc2C1)c1cc(F)ccc1O ZINC000844922053 635984819 /nfs/dbraw/zinc/98/48/19/635984819.db2.gz ZTEBQEKUVWDARE-BXUZGUMPSA-N 1 0 286.350 3.219 20 10 CGCDRO CC(C)C[N@H+](C)CCC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000845995262 636127859 /nfs/dbraw/zinc/12/78/59/636127859.db2.gz AVCYLVYBFJRNNO-UHFFFAOYSA-N 1 0 284.831 3.113 20 10 CGCDRO CC(C)(C)C[C@@H]1C[C@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000846026919 636131130 /nfs/dbraw/zinc/13/11/30/636131130.db2.gz XIFCUCYXIQDERT-CMPLNLGQSA-N 1 0 277.364 3.035 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@]3(CC3(F)F)C2)c1 ZINC000846117884 636146706 /nfs/dbraw/zinc/14/67/06/636146706.db2.gz SCSZMHWHBUQZFN-AWEZNQCLSA-N 1 0 283.318 3.022 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]CCc2ccsc2)c1O ZINC000846135256 636147993 /nfs/dbraw/zinc/14/79/93/636147993.db2.gz BBOIBODYIUSSFD-NSHDSACASA-N 1 0 277.389 3.356 20 10 CGCDRO COCCC1(C[NH2+][C@@H](C)c2cccc(OC)c2O)CCC1 ZINC000846149595 636149987 /nfs/dbraw/zinc/14/99/87/636149987.db2.gz KIHFNFQEJXMNJJ-ZDUSSCGKSA-N 1 0 293.407 3.258 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]CC2Cc3ccccc3C2)c1O ZINC000846151572 636150417 /nfs/dbraw/zinc/15/04/17/636150417.db2.gz BEHLUZGHPIDIOX-ZDUSSCGKSA-N 1 0 297.398 3.466 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@H]2CCC(F)(F)C2)c1O ZINC000846161395 636151068 /nfs/dbraw/zinc/15/10/68/636151068.db2.gz YHEPYDOUOQYSSI-UWVGGRQHSA-N 1 0 271.307 3.239 20 10 CGCDRO CCC(C)(C)C[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846164985 636151110 /nfs/dbraw/zinc/15/11/10/636151110.db2.gz JWZRXUMQQFIXSD-LLVKDONJSA-N 1 0 251.370 3.488 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]C[C@H]2CCC(C)(C)O2)c1O ZINC000846166440 636152112 /nfs/dbraw/zinc/15/21/12/636152112.db2.gz ZDWATEBLMWSNFO-VXGBXAGGSA-N 1 0 279.380 3.009 20 10 CGCDRO CCOC1(C[NH2+][C@H](C)c2cccc(OC)c2O)CCCC1 ZINC000846170263 636152727 /nfs/dbraw/zinc/15/27/27/636152727.db2.gz NCHXVQUFEBBWMB-CYBMUJFWSA-N 1 0 293.407 3.401 20 10 CGCDRO CCOCC(C)(C)C[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846173991 636154123 /nfs/dbraw/zinc/15/41/23/636154123.db2.gz VUEUSBHSERHXLR-LBPRGKRZSA-N 1 0 281.396 3.114 20 10 CGCDRO C[C@H](COCC1CC1)[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000846203133 636157758 /nfs/dbraw/zinc/15/77/58/636157758.db2.gz FFWMTHPEMCYHQS-WDMOLILDSA-N 1 0 293.382 3.484 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)COCC2CC2)c1 ZINC000846206035 636158520 /nfs/dbraw/zinc/15/85/20/636158520.db2.gz UHABEUMQUDZACP-QWHCGFSZSA-N 1 0 263.381 3.166 20 10 CGCDRO C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000882880316 636445200 /nfs/dbraw/zinc/44/52/00/636445200.db2.gz MEZKGZBMTNPNTJ-LBPRGKRZSA-N 1 0 298.377 3.025 20 10 CGCDRO C[C@@H](C[C@@H](O)c1ccco1)[NH2+]Cc1c(O)cccc1Cl ZINC000130486153 636463836 /nfs/dbraw/zinc/46/38/36/636463836.db2.gz KOENOYYCSCHJDE-IINYFYTJSA-N 1 0 295.766 3.240 20 10 CGCDRO C[C@H]1CC[C@@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)CS1 ZINC000848524521 636587642 /nfs/dbraw/zinc/58/76/42/636587642.db2.gz FLMRALHMJNKZIA-WCQYABFASA-N 1 0 282.428 3.265 20 10 CGCDRO CC[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cccc(Cl)c1[O-] ZINC000848558450 636605557 /nfs/dbraw/zinc/60/55/57/636605557.db2.gz QBHRRIYGYHWNOO-ZOWXZIJZSA-N 1 0 296.842 3.427 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H](C2CC2)[C@@H]2CCCCO2)c1 ZINC000848561320 636606356 /nfs/dbraw/zinc/60/63/56/636606356.db2.gz WNUAVZZDUPTCRT-DLBZAZTESA-N 1 0 275.392 3.138 20 10 CGCDRO C[C@@H](Cc1ccccn1)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000848567028 636609535 /nfs/dbraw/zinc/60/95/35/636609535.db2.gz OQGJSJVKKLWZOB-ZDUSSCGKSA-N 1 0 287.382 3.008 20 10 CGCDRO CCOc1ccc(C[NH2+][C@H]2C[C@H](OC(C)(C)C)C2)c(O)c1 ZINC000848567132 636610382 /nfs/dbraw/zinc/61/03/82/636610382.db2.gz PGUNJMVZCCDTCS-CTYIDZIISA-N 1 0 293.407 3.227 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCCN2CCCC[C@H]12)c1ccccc1O ZINC000848568583 636611478 /nfs/dbraw/zinc/61/14/78/636611478.db2.gz MIDJPJQWTSNSBX-GVDBMIGSSA-N 1 0 288.435 3.450 20 10 CGCDRO CCOc1ccc(C[NH2+][C@@H](CC)[C@@H]2CCCCO2)c(O)c1 ZINC000848574422 636613124 /nfs/dbraw/zinc/61/31/24/636613124.db2.gz FDUVITXGONPEHH-RDJZCZTQSA-N 1 0 293.407 3.228 20 10 CGCDRO CCc1cccc(CN2CCC[C@@H]([NH+]3CCCC3)C2)c1O ZINC000848881355 636670881 /nfs/dbraw/zinc/67/08/81/636670881.db2.gz GUZUVWUODOZKPF-QGZVFWFLSA-N 1 0 288.435 3.015 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H](C)C[C@@H](O)c2ccco2)c1O ZINC000848900731 636681291 /nfs/dbraw/zinc/68/12/91/636681291.db2.gz PRAMOOCJTHQXGG-SWLSCSKDSA-N 1 0 289.375 3.149 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@@H](c2ccccc2)N(C)C)c1O ZINC000848901443 636681753 /nfs/dbraw/zinc/68/17/53/636681753.db2.gz ZULJZJLBQVRMQP-SFHVURJKSA-N 1 0 298.430 3.347 20 10 CGCDRO CCc1cccc(C[NH2+][C@H](C)c2ccncc2OC)c1O ZINC000848905224 636684399 /nfs/dbraw/zinc/68/43/99/636684399.db2.gz INPCMKHSAKPTBP-GFCCVEGCSA-N 1 0 286.375 3.209 20 10 CGCDRO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(CC)c1O ZINC000848915632 636688532 /nfs/dbraw/zinc/68/85/32/636688532.db2.gz XYWQGLDHYHECDG-HUUCEWRRSA-N 1 0 263.381 3.002 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)c1O ZINC000848919218 636691353 /nfs/dbraw/zinc/69/13/53/636691353.db2.gz IBJRURLGYXWNEZ-DLBZAZTESA-N 1 0 289.419 3.346 20 10 CGCDRO CCc1cccc(C[NH2+][C@H]2COCc3ccccc32)c1O ZINC000848918441 636691575 /nfs/dbraw/zinc/69/15/75/636691575.db2.gz ZPRIKEGYEGJYNQ-KRWDZBQOSA-N 1 0 283.371 3.316 20 10 CGCDRO CCc1cccc(C[NH+]2CC(CC(F)F)C2)c1O ZINC000848918385 636691683 /nfs/dbraw/zinc/69/16/83/636691683.db2.gz XZFICEHYPUDDJF-UHFFFAOYSA-N 1 0 255.308 3.042 20 10 CGCDRO CC[C@H]([NH2+]C[C@H]1CCN1CC)c1cc(Cl)ccc1O ZINC000883355674 636697112 /nfs/dbraw/zinc/69/71/12/636697112.db2.gz WAEGFWBSSUBDQI-OCCSQVGLSA-N 1 0 282.815 3.181 20 10 CGCDRO CCc1cccc(C[N@@H+]2Cc3ccc(OC)cc3C2)c1O ZINC000848925750 636698155 /nfs/dbraw/zinc/69/81/55/636698155.db2.gz JBMTUXAVBSRLTM-UHFFFAOYSA-N 1 0 283.371 3.479 20 10 CGCDRO CC(C)C[N@H+](C)Cc1cc(Br)ccc1O ZINC000132528735 636816834 /nfs/dbraw/zinc/81/68/34/636816834.db2.gz GXYXGHUIJNJHEX-UHFFFAOYSA-N 1 0 272.186 3.243 20 10 CGCDRO [NH3+]C1(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CCCC1 ZINC000849350306 636817693 /nfs/dbraw/zinc/81/76/93/636817693.db2.gz XKVWGXDCYJNNKI-UHFFFAOYSA-N 1 0 289.206 3.060 20 10 CGCDRO C[C@@H]1CCC[N@@H+]1Cc1cccc(Br)c1[O-] ZINC000132649179 636827716 /nfs/dbraw/zinc/82/77/16/636827716.db2.gz SJSVWOOFBHLGRF-SECBINFHSA-N 1 0 270.170 3.139 20 10 CGCDRO CC[N@H+](Cc1cc(Br)ccc1O)C1CC1 ZINC000133287716 636890839 /nfs/dbraw/zinc/89/08/39/636890839.db2.gz YLWCDOMEMWGKOM-UHFFFAOYSA-N 1 0 270.170 3.139 20 10 CGCDRO COCc1csc(C[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000850111299 636961028 /nfs/dbraw/zinc/96/10/28/636961028.db2.gz IXRRVMWCCCYZLO-UHFFFAOYSA-N 1 0 289.400 3.119 20 10 CGCDRO COc1cc(C[NH2+][C@H]2CCSC2)c(O)c(C(C)(C)C)c1 ZINC000850162521 636971198 /nfs/dbraw/zinc/97/11/98/636971198.db2.gz INVKRTYPPBBOOZ-LBPRGKRZSA-N 1 0 295.448 3.293 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3ccsc3)C2)cc1 ZINC000850345710 637021845 /nfs/dbraw/zinc/02/18/45/637021845.db2.gz IMBXWHMFIVEQSZ-AWEZNQCLSA-N 1 0 288.416 3.125 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCN(C(C)(C)C)C2)c(Cl)c1 ZINC000850351227 637023994 /nfs/dbraw/zinc/02/39/94/637023994.db2.gz LMVRYYBICUGIKK-LBPRGKRZSA-N 1 0 296.842 3.316 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@@H]([C@H]3CCCO3)C2)c1 ZINC000884482708 637040816 /nfs/dbraw/zinc/04/08/16/637040816.db2.gz GSJCFEXGQLQWOP-GDBMZVCRSA-N 1 0 275.392 3.010 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1cc(Br)ccc1O ZINC000134915152 637049534 /nfs/dbraw/zinc/04/95/34/637049534.db2.gz OUWLHIHNLFHBQE-GUBZILKMSA-N 1 0 284.197 3.461 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H](c2ccccc2)[C@@H](C)O)cc1C ZINC000850420609 637054976 /nfs/dbraw/zinc/05/49/76/637054976.db2.gz PWMICOSUWGSDAC-KDOFPFPSSA-N 1 0 285.387 3.221 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@H](C)c2ccccn2)c1O ZINC000850480727 637084665 /nfs/dbraw/zinc/08/46/65/637084665.db2.gz CHVFBRLZHNYJLQ-STQMWFEESA-N 1 0 286.375 3.250 20 10 CGCDRO CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850486664 637086576 /nfs/dbraw/zinc/08/65/76/637086576.db2.gz JKZJHMFWICKZCQ-KEYYUXOJSA-N 1 0 274.408 3.052 20 10 CGCDRO CC[C@H](COCC1CC1)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000850493195 637089742 /nfs/dbraw/zinc/08/97/42/637089742.db2.gz HVMYWZSUUFWWLC-SMDDNHRTSA-N 1 0 281.371 3.387 20 10 CGCDRO CCO[C@H]1C[C@H]([NH2+][C@@H](CC)c2ccc(C)cc2O)C1 ZINC000850513383 637098324 /nfs/dbraw/zinc/09/83/24/637098324.db2.gz HFNJEKWVBPUMRP-YDHLFZDLSA-N 1 0 263.381 3.309 20 10 CGCDRO CCO[C@H]1C[C@H]([NH2+][C@@H](C)c2c(C)cc(C)cc2O)C1 ZINC000850514021 637098482 /nfs/dbraw/zinc/09/84/82/637098482.db2.gz KRCMVZDURPAQBB-IHRRRGAJSA-N 1 0 263.381 3.227 20 10 CGCDRO CC[C@@H](O)C[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000850531983 637109614 /nfs/dbraw/zinc/10/96/14/637109614.db2.gz QBTDHQHQMVJPRC-UKRRQHHQSA-N 1 0 294.414 3.238 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)CN2CCC(C)CC2)c1 ZINC000850543502 637116070 /nfs/dbraw/zinc/11/60/70/637116070.db2.gz KYSPZSMLJPPPGR-JKSUJKDBSA-N 1 0 290.451 3.472 20 10 CGCDRO CCCN1CC[C@@H]([NH2+][C@@H](CC)c2ccc(C)cc2O)C1 ZINC000850557630 637122179 /nfs/dbraw/zinc/12/21/79/637122179.db2.gz XEECVIWAHSTBNR-ZBFHGGJFSA-N 1 0 276.424 3.226 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]CCC2SCCS2)c1O ZINC000850568635 637127820 /nfs/dbraw/zinc/12/78/20/637127820.db2.gz DCDKEUQAAWQDJC-SNVBAGLBSA-N 1 0 299.461 3.248 20 10 CGCDRO C[C@H](O)[C@H]([NH2+][C@@H](C)c1ccccc1O)c1ccccc1 ZINC000850582375 637132623 /nfs/dbraw/zinc/13/26/23/637132623.db2.gz FGAWZYVRILJGLK-DCGLDWPTSA-N 1 0 271.360 3.165 20 10 CGCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@@H](C)C[C@@H]2C)c1O ZINC000135821861 637188817 /nfs/dbraw/zinc/18/88/17/637188817.db2.gz LOLLSWCHSACFCW-UWVGGRQHSA-N 1 0 281.783 3.479 20 10 CGCDRO C[C@@H]1CCCC[C@H]1OCC[N@H+](C)Cc1ccccc1O ZINC000109771510 637267980 /nfs/dbraw/zinc/26/79/80/637267980.db2.gz RFLVZFQAMSTFIL-RHSMWYFYSA-N 1 0 277.408 3.419 20 10 CGCDRO CCOc1ccc(C[NH2+]CC[C@H]2CC(C)(C)CO2)c(O)c1 ZINC000886307349 637492977 /nfs/dbraw/zinc/49/29/77/637492977.db2.gz PORZKGNUMIDQCW-HNNXBMFYSA-N 1 0 293.407 3.086 20 10 CGCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H](CCF)C2)c1O ZINC000852533140 637673986 /nfs/dbraw/zinc/67/39/86/637673986.db2.gz PIAHODBBPVDMNH-GFCCVEGCSA-N 1 0 297.345 3.306 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CC(C)(C)CCCO)cc1 ZINC000221403437 637729314 /nfs/dbraw/zinc/72/93/14/637729314.db2.gz PRRCBIGJYWMPHX-UHFFFAOYSA-N 1 0 292.467 3.421 20 10 CGCDRO C[C@@H]1CC[C@H]([NH2+]Cc2cc(F)ccc2O)[C@H](C)C1 ZINC000300416069 637838512 /nfs/dbraw/zinc/83/85/12/637838512.db2.gz HCIGBXYYUCDEAD-GYSYKLTISA-N 1 0 251.345 3.446 20 10 CGCDRO COc1ccc(O)c(C[NH2+]CC[C@@H]2CC2(Cl)Cl)c1 ZINC000857065640 638448153 /nfs/dbraw/zinc/44/81/53/638448153.db2.gz SDSIKSLFKICGAT-SNVBAGLBSA-N 1 0 290.190 3.074 20 10 CGCDRO COc1ccccc1C[NH2+]Cc1ccc(N(C)C)cc1C ZINC000115629582 638569509 /nfs/dbraw/zinc/56/95/09/638569509.db2.gz WLZZBIAYOOXCQP-UHFFFAOYSA-N 1 0 284.403 3.359 20 10 CGCDRO CN(C)c1cc(F)c(C[NH2+]CC2CC(F)(F)C2)cc1F ZINC000858167156 638648565 /nfs/dbraw/zinc/64/85/65/638648565.db2.gz LOMVFBIFVVUDGA-UHFFFAOYSA-N 1 0 290.304 3.166 20 10 CGCDRO C[C@@H]1SCC[C@H]1[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858184996 638652550 /nfs/dbraw/zinc/65/25/50/638652550.db2.gz QFOGRTKFYJTCIQ-TVQRCGJNSA-N 1 0 286.391 3.014 20 10 CGCDRO COc1ccc(C[NH2+]C[C@@H]2Cc3ccccc3CO2)cc1C ZINC000858211874 638657938 /nfs/dbraw/zinc/65/79/38/638657938.db2.gz TVUIBTNXDWOFKE-SFHVURJKSA-N 1 0 297.398 3.235 20 10 CGCDRO Cc1cn[nH]c1C[NH2+]Cc1cc(C)n(-c2ccccc2)c1C ZINC000858294408 638673881 /nfs/dbraw/zinc/67/38/81/638673881.db2.gz YKOOWPPYQBILKA-UHFFFAOYSA-N 1 0 294.402 3.415 20 10 CGCDRO C/C=C\C[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000858538954 638757616 /nfs/dbraw/zinc/75/76/16/638757616.db2.gz ZEPXDTBUQUYVQN-ZBJFTSOASA-N 1 0 270.170 3.381 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@H](C)c1ccnnc1 ZINC000926596510 638789809 /nfs/dbraw/zinc/78/98/09/638789809.db2.gz OXPZTGXGQJUYPF-HUUCEWRRSA-N 1 0 298.434 3.133 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCS[C@H](C)C2)c1O ZINC000927025624 638833322 /nfs/dbraw/zinc/83/33/22/638833322.db2.gz CYVORSHDSOCQPH-GRYCIOLGSA-N 1 0 281.421 3.336 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H](c2cnn(C)c2)C(C)C)c(O)c1 ZINC000927070531 638837822 /nfs/dbraw/zinc/83/78/22/638837822.db2.gz OPEHPIQHEOVXJU-GUYCJALGSA-N 1 0 287.407 3.482 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2cc(C3CC3)nn2C)c(O)c1 ZINC000927102054 638842288 /nfs/dbraw/zinc/84/22/88/638842288.db2.gz OWZMEZABMUOOQP-ZDUSSCGKSA-N 1 0 299.418 3.471 20 10 CGCDRO C[N@H+](Cc1ccccc1O)Cc1ccccc1CF ZINC000929976021 638965722 /nfs/dbraw/zinc/96/57/22/638965722.db2.gz LLVHBZXYSMZFRO-UHFFFAOYSA-N 1 0 259.324 3.494 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+][C@H](C)c2ccns2)c1O ZINC000858576680 638996670 /nfs/dbraw/zinc/99/66/70/638996670.db2.gz MDHOAEFDKIWBKA-NXEZZACHSA-N 1 0 278.377 3.269 20 10 CGCDRO CCN(C)c1ccc(C[NH2+][C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)cc1 ZINC000859829751 639232129 /nfs/dbraw/zinc/23/21/29/639232129.db2.gz IXIYABSLKXILMR-FHIRATQRSA-N 1 0 276.424 3.044 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H](c2ccncc2)C2CC2)cc1 ZINC000934696508 639659268 /nfs/dbraw/zinc/65/92/68/639659268.db2.gz GQGDBQULEMYUKS-GOSISDBHSA-N 1 0 281.403 3.389 20 10 CGCDRO COc1ccccc1C[C@@H](C)[N@H+](C)Cc1ccccc1O ZINC000156040544 639962840 /nfs/dbraw/zinc/96/28/40/639962840.db2.gz IKRCNILHQMIHLP-CQSZACIVSA-N 1 0 285.387 3.464 20 10 CGCDRO C[C@H]([NH2+]C[C@]1(C)CCCC[C@@H]1O)c1ccc(N(C)C)cc1 ZINC000159176983 640032997 /nfs/dbraw/zinc/03/29/97/640032997.db2.gz ZHDGOBKVNWXJCU-WBAXXEDZSA-N 1 0 290.451 3.344 20 10 CGCDRO COc1cnccc1[C@@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000188786205 640150951 /nfs/dbraw/zinc/15/09/51/640150951.db2.gz GAUSZMXAOHMAGA-VXGBXAGGSA-N 1 0 272.348 3.208 20 10 CGCDRO CC[C@@H]([NH2+][C@H](CO)Cc1ccccc1C)c1ccccc1O ZINC000191556352 640319494 /nfs/dbraw/zinc/31/94/94/640319494.db2.gz PUFGPRHYPDDJJK-FUHWJXTLSA-N 1 0 299.414 3.345 20 10 CGCDRO C[C@@H]1CC([NH2+]Cc2cc3c(cc2O)OCO3)C[C@@H](C)C1 ZINC000084461602 640606686 /nfs/dbraw/zinc/60/66/86/640606686.db2.gz GFMTXETUYVSQFA-QWRGUYRKSA-N 1 0 277.364 3.035 20 10 CGCDRO CS[C@H](C)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000090725685 640691680 /nfs/dbraw/zinc/69/16/80/640691680.db2.gz QDBQWDGGTULZSY-VXGBXAGGSA-N 1 0 252.427 3.155 20 10 CGCDRO C[N@H+](Cc1cc(F)cc(F)c1)Cc1ccccc1O ZINC000091956468 640728124 /nfs/dbraw/zinc/72/81/24/640728124.db2.gz FQYZHBAMDOTTAF-UHFFFAOYSA-N 1 0 263.287 3.302 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](C)N2CCC[C@@H](C)C2)c1 ZINC000248490313 640763160 /nfs/dbraw/zinc/76/31/60/640763160.db2.gz HZWCGNMWOZDJBS-OAGGEKHMSA-N 1 0 290.451 3.472 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCN2CCC[C@@H](C)C2)c(O)c1 ZINC000248531351 640766436 /nfs/dbraw/zinc/76/64/36/640766436.db2.gz XXORKFCMWGJZHH-CABCVRRESA-N 1 0 276.424 3.083 20 10 CGCDRO C[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)c1cc(F)ccc1O ZINC000248528508 640766988 /nfs/dbraw/zinc/76/69/88/640766988.db2.gz WDLUZIGWFZVRHU-NOHGZBONSA-N 1 0 267.344 3.138 20 10 CGCDRO CC(C)[C@@H](C[NH2+][C@H](C)c1cc(F)ccc1O)N1CCCC1 ZINC000094616993 640798969 /nfs/dbraw/zinc/79/89/69/640798969.db2.gz IBENWGNNOZDNBN-CZUORRHYSA-N 1 0 294.414 3.302 20 10 CGCDRO CO[C@@H]1C[N@H+](Cc2c(O)ccc3ccccc32)CC[C@H]1C ZINC000249848149 640808991 /nfs/dbraw/zinc/80/89/91/640808991.db2.gz OUNYXWFBDMXBGU-FZKQIMNGSA-N 1 0 285.387 3.402 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CC[C@H](O)CC1)c1ccc2ccccc2c1O ZINC000252804011 640863762 /nfs/dbraw/zinc/86/37/62/640863762.db2.gz CNUZUQROQABSSW-BPLDGKMQSA-N 1 0 285.387 3.500 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H](O)c1ccco1)c1ccc(N(C)C)cc1 ZINC000305063164 640877071 /nfs/dbraw/zinc/87/70/71/640877071.db2.gz HGQUQBGBMUAYJG-CVEARBPZSA-N 1 0 288.391 3.120 20 10 CGCDRO CC[N@@H+](Cc1cc(C)c(C)cc1O)C[C@@H]1CCCO1 ZINC000098051747 640892832 /nfs/dbraw/zinc/89/28/32/640892832.db2.gz GHQIPMAWVHPHQV-HNNXBMFYSA-N 1 0 263.381 3.010 20 10 CGCDRO Cc1c[nH+]c(N2CCCc3cc(O)c(O)cc3C2)cc1C ZINC001155944624 805626604 /nfs/dbraw/zinc/62/66/04/805626604.db2.gz JMVIZNHIKUCOMD-UHFFFAOYSA-N 1 0 284.359 3.062 20 10 CGCDRO COc1ccc2c(cc[nH+]c2NCc2ccc(O)c(O)c2)c1 ZINC001158994620 806027850 /nfs/dbraw/zinc/02/78/50/806027850.db2.gz QTVFRHIOSZGHTI-UHFFFAOYSA-N 1 0 296.326 3.267 20 10 CGCDRO Cc1cc(C)c(C[NH2+][C@H](C)CC(F)(F)F)c(O)c1 ZINC001255638723 806687557 /nfs/dbraw/zinc/68/75/57/806687557.db2.gz DEEZEONVWGCMLC-SNVBAGLBSA-N 1 0 261.287 3.440 20 10 CGCDRO CCOc1cccc(C[NH2+]Cc2ccc(N(C)C)cc2)c1 ZINC000037505685 798868598 /nfs/dbraw/zinc/86/85/98/798868598.db2.gz HFUIYJJGUVEFRI-UHFFFAOYSA-N 1 0 284.403 3.441 20 10 CGCDRO c1cc(N2CCOCC2)ccc1C[NH2+]CCC1CCCC1 ZINC000037739598 798872981 /nfs/dbraw/zinc/87/29/81/798872981.db2.gz JUKDJCJDHVMDQJ-UHFFFAOYSA-N 1 0 288.435 3.193 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCC(C)C)c1 ZINC000038093383 798885576 /nfs/dbraw/zinc/88/55/76/798885576.db2.gz CQMLMVWEKYHASS-LBPRGKRZSA-N 1 0 251.370 3.488 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]CCCOc2ccccc2)c1 ZINC000071409201 798916726 /nfs/dbraw/zinc/91/67/26/798916726.db2.gz IPTCIDVARHAMOM-UHFFFAOYSA-N 1 0 271.360 3.259 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]Cc2ccccc2F)c1O ZINC000076274313 798924545 /nfs/dbraw/zinc/92/45/45/798924545.db2.gz WNSMUWVLLJKUIQ-UHFFFAOYSA-N 1 0 295.741 3.483 20 10 CGCDRO COc1ccc(C[N@H+](C)CCc2cccs2)c(O)c1 ZINC000093685608 798965336 /nfs/dbraw/zinc/96/53/36/798965336.db2.gz NGERCPXEUYIUTN-UHFFFAOYSA-N 1 0 277.389 3.137 20 10 CGCDRO COc1ccc(C[N@@H+]2CCc3cc(F)ccc3C2)c(O)c1 ZINC000181443239 799112335 /nfs/dbraw/zinc/11/23/35/799112335.db2.gz RESWLAUEYLEKMB-UHFFFAOYSA-N 1 0 287.334 3.098 20 10 CGCDRO c1cc(N2CCCCC2)ccc1C[NH2+][C@@H]1CCCOCC1 ZINC000315279709 799235334 /nfs/dbraw/zinc/23/53/34/799235334.db2.gz VQGUHHFNYLUYLR-QGZVFWFLSA-N 1 0 288.435 3.336 20 10 CGCDRO C[C@@H](CC[NH2+]Cc1cc2c(cc1O)OCO2)c1ccccc1 ZINC000378865791 799343387 /nfs/dbraw/zinc/34/33/87/799343387.db2.gz AEIOEASWJKQFAX-ZDUSSCGKSA-N 1 0 299.370 3.404 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1CC1(Cl)Cl)c1ccccc1O ZINC000381491702 799379235 /nfs/dbraw/zinc/37/92/35/799379235.db2.gz YCMPPLJBSHJXEK-DTWKUNHWSA-N 1 0 260.164 3.237 20 10 CGCDRO CCC[N@@H+](Cc1cc(OC)ccc1O)CC(C)C ZINC000381445011 799379471 /nfs/dbraw/zinc/37/94/71/799379471.db2.gz NJYGCFATYPMEGF-UHFFFAOYSA-N 1 0 251.370 3.269 20 10 CGCDRO Cc1ccc(C[C@H](C)[NH2+]CCc2ccc(O)c(O)c2)cc1 ZINC001255775254 806745414 /nfs/dbraw/zinc/74/54/14/806745414.db2.gz UHIRFFOAURUKKD-AWEZNQCLSA-N 1 0 285.387 3.170 20 10 CGCDRO CCC(CC)(C[NH2+]Cc1cc(Cl)ccc1O)OC ZINC000386195160 799433193 /nfs/dbraw/zinc/43/31/93/799433193.db2.gz VULVLXAACQEZRQ-UHFFFAOYSA-N 1 0 271.788 3.340 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](CO)C2CCCCC2)c1 ZINC000386257082 799434547 /nfs/dbraw/zinc/43/45/47/799434547.db2.gz LZYBYBIBSYHSBB-CZUORRHYSA-N 1 0 277.408 3.292 20 10 CGCDRO C[C@@H]([NH2+][C@@H](CO)C1CCCCC1)c1ccc(N(C)C)cc1 ZINC000386338869 799435237 /nfs/dbraw/zinc/43/52/37/799435237.db2.gz LDLKDWMTEFYZBA-KDOFPFPSSA-N 1 0 290.451 3.344 20 10 CGCDRO CO[C@@H]([C@H](C)[NH2+][C@@H](C)c1cc(C)ccc1O)C1CC1 ZINC000388269916 799451245 /nfs/dbraw/zinc/45/12/45/799451245.db2.gz FLSOLJOLTKVTIH-MKBNYLNASA-N 1 0 263.381 3.165 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)[C@H](OC)C1CC1)c1ccccc1O ZINC000388291506 799451905 /nfs/dbraw/zinc/45/19/05/799451905.db2.gz WNNCFEGZYWFJBM-PJODQICGSA-N 1 0 263.381 3.246 20 10 CGCDRO COc1cccc(C[NH2+]C[C@H]2CCCC2(C)C)c1O ZINC000388986693 799458528 /nfs/dbraw/zinc/45/85/28/799458528.db2.gz OSRZETDOLLGFCZ-CYBMUJFWSA-N 1 0 263.381 3.317 20 10 CGCDRO COc1ccc(C[NH2+]CC2CCCCCC2)c(O)c1 ZINC000389504298 799463439 /nfs/dbraw/zinc/46/34/39/799463439.db2.gz XMENOPIZMUVWIZ-UHFFFAOYSA-N 1 0 263.381 3.461 20 10 CGCDRO CCC1(C[NH2+]Cc2ccc(N3CCCCC3)cc2)COC1 ZINC000393965296 799492131 /nfs/dbraw/zinc/49/21/31/799492131.db2.gz APUVUQHVCDJUCD-UHFFFAOYSA-N 1 0 288.435 3.193 20 10 CGCDRO CC[C@H](C)[C@@H](C[NH2+]Cc1c(O)cccc1Cl)OC ZINC000394480911 799497026 /nfs/dbraw/zinc/49/70/26/799497026.db2.gz LDTLXFDMECOERQ-IINYFYTJSA-N 1 0 271.788 3.196 20 10 CGCDRO CC[C@H]([NH2+]CCC[C@@H]1CCOC1)c1ccccc1O ZINC000402058000 799560444 /nfs/dbraw/zinc/56/04/44/799560444.db2.gz SEKKVYLMUJCZCV-HIFRSBDPSA-N 1 0 263.381 3.250 20 10 CGCDRO CCc1cccc(C[N@H+](C[C@H](C)OC)C(C)C)c1O ZINC000688106185 799744127 /nfs/dbraw/zinc/74/41/27/799744127.db2.gz ODJLLZJHZJPQBG-ZDUSSCGKSA-N 1 0 265.397 3.200 20 10 CGCDRO CCOC1(C[NH2+]Cc2cccc(CC)c2O)CCCC1 ZINC000691469048 799783750 /nfs/dbraw/zinc/78/37/50/799783750.db2.gz WRRATZVQYKUKRA-UHFFFAOYSA-N 1 0 277.408 3.394 20 10 CGCDRO CCc1cccc(C[NH2+]CCc2scnc2C)c1O ZINC000691435002 799783903 /nfs/dbraw/zinc/78/39/03/799783903.db2.gz MWUGOXLOPXFVEG-UHFFFAOYSA-N 1 0 276.405 3.052 20 10 CGCDRO CCc1cccc(C[NH2+]CCSC(F)(F)F)c1O ZINC000691500765 799785152 /nfs/dbraw/zinc/78/51/52/799785152.db2.gz RMHSYKQOXVCPHZ-UHFFFAOYSA-N 1 0 279.327 3.297 20 10 CGCDRO C[C@H](Cc1ccccn1)[NH2+]Cc1c(O)cccc1Cl ZINC000694063782 799820402 /nfs/dbraw/zinc/82/04/02/799820402.db2.gz JHAKGOXUUWUKGR-LLVKDONJSA-N 1 0 276.767 3.161 20 10 CGCDRO CCC(C)(C)[C@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000695105150 799825181 /nfs/dbraw/zinc/82/51/81/799825181.db2.gz GHEPDGSUWWOZOB-JTQLQIEISA-N 1 0 265.353 3.035 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000695089499 799826031 /nfs/dbraw/zinc/82/60/31/799826031.db2.gz HKFWDXDXVMLDQN-LLVKDONJSA-N 1 0 259.271 3.199 20 10 CGCDRO CC(C)(C)OCCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000695262426 799828005 /nfs/dbraw/zinc/82/80/05/799828005.db2.gz JCQMKUXTPJGELW-CYBMUJFWSA-N 1 0 263.381 3.174 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C2CC3(CCC3)C2)c1 ZINC000697696536 799848771 /nfs/dbraw/zinc/84/87/71/799848771.db2.gz QNBCVOVVLGXZCT-NSHDSACASA-N 1 0 261.365 3.384 20 10 CGCDRO C[C@H](C[NH2+][C@H]1CCc2cccc(O)c21)CC(F)F ZINC000697736054 799848804 /nfs/dbraw/zinc/84/88/04/799848804.db2.gz KOWKJHAKMONEMK-ONGXEEELSA-N 1 0 255.308 3.260 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]CCSCC(F)(F)F)CC2 ZINC000698953617 799857527 /nfs/dbraw/zinc/85/75/27/799857527.db2.gz RZRPSHSBFNJKTG-SNVBAGLBSA-N 1 0 291.338 3.265 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2cscn2)c1 ZINC000700444503 799871880 /nfs/dbraw/zinc/87/18/80/799871880.db2.gz RXXLTCDITVIKSI-NXEZZACHSA-N 1 0 278.377 3.269 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(Br)cc1O)C1CCC1 ZINC000701045714 799884074 /nfs/dbraw/zinc/88/40/74/799884074.db2.gz UFARNPXFXIZKNI-SECBINFHSA-N 1 0 284.197 3.433 20 10 CGCDRO Oc1cc(Br)ccc1C[NH+]1CCC(F)CC1 ZINC000701153179 799884590 /nfs/dbraw/zinc/88/45/90/799884590.db2.gz YADUPFMMQFFGNE-UHFFFAOYSA-N 1 0 288.160 3.089 20 10 CGCDRO CC[C@@H]([NH2+]CC[C@@H]1CC1(F)F)c1ccccc1O ZINC000701945727 799899073 /nfs/dbraw/zinc/89/90/73/799899073.db2.gz TUGVURLMEOCLDJ-ZYHUDNBSSA-N 1 0 255.308 3.478 20 10 CGCDRO Oc1cc(Br)ccc1C[NH2+]CC1=CCCC1 ZINC000702364381 799908349 /nfs/dbraw/zinc/90/83/49/799908349.db2.gz DYALZXGNWNQHIF-UHFFFAOYSA-N 1 0 282.181 3.355 20 10 CGCDRO COc1cccc(C[NH2+]C[C@@H]2CCCC23CC3)c1O ZINC000706218637 799958984 /nfs/dbraw/zinc/95/89/84/799958984.db2.gz VHOQCPZPFVAMIB-ZDUSSCGKSA-N 1 0 261.365 3.071 20 10 CGCDRO C[C@@H]1CC[C@@H]1[NH2+]Cc1c(O)cccc1Br ZINC000706829132 799968062 /nfs/dbraw/zinc/96/80/62/799968062.db2.gz MAHNBXKSZSRDIF-KCJUWKMLSA-N 1 0 270.170 3.043 20 10 CGCDRO Oc1cc2c(cc1C[NH+]1C3CCCC1CCC3)OCO2 ZINC000707160946 799974215 /nfs/dbraw/zinc/97/42/15/799974215.db2.gz QYWZCHRPKGAEGI-UHFFFAOYSA-N 1 0 275.348 3.028 20 10 CGCDRO CCc1cccc(C[NH2+][C@H](C)CCSC)c1O ZINC000709424511 800008057 /nfs/dbraw/zinc/00/80/57/800008057.db2.gz SBQAOKXFUNNLBX-LLVKDONJSA-N 1 0 253.411 3.186 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCc2ccns2)c1 ZINC000710009944 800027059 /nfs/dbraw/zinc/02/70/59/800027059.db2.gz MZJDMWWRFWLUKY-LLVKDONJSA-N 1 0 262.378 3.050 20 10 CGCDRO CC(C)(C)OCCC[NH2+]Cc1c(O)cccc1Cl ZINC000710112486 800029037 /nfs/dbraw/zinc/02/90/37/800029037.db2.gz JRTPBLSJPDCMJK-UHFFFAOYSA-N 1 0 271.788 3.340 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1CCC(C)(C)CO1)c1ccccc1O ZINC000711236560 800050934 /nfs/dbraw/zinc/05/09/34/800050934.db2.gz ILLIUGGKYBYCAQ-QWHCGFSZSA-N 1 0 263.381 3.248 20 10 CGCDRO CC1(C)CC[C@@H](C[NH2+][C@H]2CCc3cccc(O)c32)OC1 ZINC000711339238 800052501 /nfs/dbraw/zinc/05/25/01/800052501.db2.gz JJRRPSURRMOOCP-KBPBESRZSA-N 1 0 275.392 3.174 20 10 CGCDRO CO[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2O)C12CCC2 ZINC000713470885 800109390 /nfs/dbraw/zinc/10/93/90/800109390.db2.gz JJQLXCPYJPPDKU-KGLIPLIRSA-N 1 0 281.783 3.093 20 10 CGCDRO CO[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2O)C12CCC2 ZINC000713470888 800109550 /nfs/dbraw/zinc/10/95/50/800109550.db2.gz JJQLXCPYJPPDKU-ZIAGYGMSSA-N 1 0 281.783 3.093 20 10 CGCDRO CO[C@@H]1C[C@@H]([NH2+][C@H](C)c2cc(F)ccc2O)C12CCC2 ZINC000713482979 800110294 /nfs/dbraw/zinc/11/02/94/800110294.db2.gz WTGZSAYMQBCCRR-VCTAVGKDSA-N 1 0 279.355 3.140 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](C)CC1(C)OCCO1)c1ccccc1O ZINC000715995773 800158218 /nfs/dbraw/zinc/15/82/18/800158218.db2.gz DHRIQNGZRVOVPQ-ZFWWWQNUSA-N 1 0 293.407 3.222 20 10 CGCDRO CO[C@@H]1CCC[C@H]([NH2+]Cc2cc(Cl)ccc2O)CC1 ZINC000718372953 800216226 /nfs/dbraw/zinc/21/62/26/800216226.db2.gz HLVDWCJQEQMCDZ-UONOGXRCSA-N 1 0 283.799 3.483 20 10 CGCDRO CCc1cccc(C[NH2+]CCC(C)(C)COC)c1O ZINC000718765392 800221895 /nfs/dbraw/zinc/22/18/95/800221895.db2.gz UEPGPVWSHKZJPO-UHFFFAOYSA-N 1 0 265.397 3.107 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1CC[C@H](C2CC2)O1)c1ccccc1O ZINC000722319809 800313312 /nfs/dbraw/zinc/31/33/12/800313312.db2.gz GGRPUYJONVOEGV-NORZTCDRSA-N 1 0 261.365 3.000 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+][C@H](C1CC1)[C@H]1CCCOC1 ZINC000723996863 800350921 /nfs/dbraw/zinc/35/09/21/800350921.db2.gz PYPVGNLRAABGLX-BLLLJJGKSA-N 1 0 295.810 3.340 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)c1ccccc1O)[C@@H]1CCCOC1 ZINC000724012706 800352419 /nfs/dbraw/zinc/35/24/19/800352419.db2.gz IBYLVWSPZUWTIY-GUTXKFCHSA-N 1 0 263.381 3.248 20 10 CGCDRO COc1cccc(C[C@H](C)[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC001256145729 806834983 /nfs/dbraw/zinc/83/49/83/806834983.db2.gz JQKREROSJOBVAD-AWEZNQCLSA-N 1 0 297.398 3.351 20 10 CGCDRO C[N@H+](CCC(F)(F)F)Cc1cc2c(cc1O)CCC2 ZINC001115890516 802283491 /nfs/dbraw/zinc/28/34/91/802283491.db2.gz LZZGIIZZLGARIO-UHFFFAOYSA-N 1 0 273.298 3.265 20 10 CGCDRO COCCC1([NH2+]Cc2ccc(N3CCCC3)cc2)CCC1 ZINC001116865675 802420573 /nfs/dbraw/zinc/42/05/73/802420573.db2.gz KWKZMSLLEKNUTC-UHFFFAOYSA-N 1 0 288.435 3.336 20 10 CGCDRO CO[C@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)[C@@H](C)C1 ZINC001116908976 802427900 /nfs/dbraw/zinc/42/79/00/802427900.db2.gz MKWXFBOLPFWGNB-YJBOKZPZSA-N 1 0 288.435 3.286 20 10 CGCDRO Oc1cccc2c1C[N@H+](CCc1ccc(F)cc1F)C2 ZINC001119303673 802645812 /nfs/dbraw/zinc/64/58/12/802645812.db2.gz GTWMQTYFCHYUQV-UHFFFAOYSA-N 1 0 275.298 3.229 20 10 CGCDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(Cl)cc2O)C(C)(C)O1 ZINC001180350237 809996013 /nfs/dbraw/zinc/99/60/13/809996013.db2.gz WVHGLFOYXYLXJD-CYBMUJFWSA-N 1 0 283.799 3.481 20 10 CGCDRO CCC(CC)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC001201520725 811882342 /nfs/dbraw/zinc/88/23/42/811882342.db2.gz LXTAVIUWHJCDFT-UHFFFAOYSA-N 1 0 276.424 3.253 20 10 CGCDRO C[N@H+](Cc1cncc(Cl)c1)Cc1ccccc1O ZINC001136996598 803669201 /nfs/dbraw/zinc/66/92/01/803669201.db2.gz RBRDCUKMVQTJDZ-UHFFFAOYSA-N 1 0 262.740 3.073 20 10 CGCDRO Cc1cc(C[N@@H+]2CCCOCC2)c(C)n1-c1ccccc1 ZINC001137854145 803783974 /nfs/dbraw/zinc/78/39/74/803783974.db2.gz KDXMEYQFWIBBSN-UHFFFAOYSA-N 1 0 284.403 3.316 20 10 CGCDRO Cc1cc(C[N@@H+]2CC[C@@](C)(O)C2)c(C)n1-c1ccccc1 ZINC001137856303 803786712 /nfs/dbraw/zinc/78/67/12/803786712.db2.gz YLAUUQBUAMTDFJ-GOSISDBHSA-N 1 0 284.403 3.051 20 10 CGCDRO Cc1c(C[N@@H+]2CCC[C@@H]3C[C@@H]32)c2ccccc2n1C ZINC001138260143 803883803 /nfs/dbraw/zinc/88/38/03/803883803.db2.gz WMODVHBVYRILLK-DYVFJYSZSA-N 1 0 254.377 3.471 20 10 CGCDRO CN1CCCc2cc(C[N@H+](C)C[C@@H]3CCCCO3)ccc21 ZINC001138356166 803900780 /nfs/dbraw/zinc/90/07/80/803900780.db2.gz BIWJIKVMKAVHSY-KRWDZBQOSA-N 1 0 288.435 3.070 20 10 CGCDRO CN1CCCc2cc(C[N@@H+]3CCc4cccnc4C3)ccc21 ZINC001138357003 803900972 /nfs/dbraw/zinc/90/09/72/803900972.db2.gz XVPCLRHATXXZBZ-UHFFFAOYSA-N 1 0 293.414 3.022 20 10 CGCDRO CN1CCCc2cc(C[N@@H+]3CCCC34CC4)ccc21 ZINC001138354792 803901044 /nfs/dbraw/zinc/90/10/44/803901044.db2.gz UZRGXINFTFGVKG-UHFFFAOYSA-N 1 0 256.393 3.197 20 10 CGCDRO CN1CCCc2cc(C[NH+]3CC4(C3)CCCC4)ccc21 ZINC001138354536 803901369 /nfs/dbraw/zinc/90/13/69/803901369.db2.gz MRICGQVJYLDBHV-UHFFFAOYSA-N 1 0 270.420 3.445 20 10 CGCDRO Cc1cc(C[N@H+](CC2CC2)C2CC2)ccc1N(C)C ZINC001139674359 804247673 /nfs/dbraw/zinc/24/76/73/804247673.db2.gz VZRNPGISUDCVKS-UHFFFAOYSA-N 1 0 258.409 3.435 20 10 CGCDRO Cc1ccc(C)c(C[N@@H+]2CCOc3ccccc3C2)c1O ZINC001140179700 804396765 /nfs/dbraw/zinc/39/67/65/804396765.db2.gz MQFXJARRJNNMDK-UHFFFAOYSA-N 1 0 283.371 3.404 20 10 CGCDRO Cc1ccc(C)c(C[N@@H+]2CCC[C@H]2c2ncccn2)c1O ZINC001140185506 804397849 /nfs/dbraw/zinc/39/78/49/804397849.db2.gz XYVBAQPNOCELLD-HNNXBMFYSA-N 1 0 283.375 3.136 20 10 CGCDRO Cc1ccc(C)c(C[N@@H+](C(C)C)C2CCOCC2)c1O ZINC001140185209 804399488 /nfs/dbraw/zinc/39/94/88/804399488.db2.gz RXYJPXCQWCVJLE-UHFFFAOYSA-N 1 0 277.408 3.398 20 10 CGCDRO Oc1cccc(Cl)c1C[N@@H+]1CC[C@]2(C1)CCCCO2 ZINC001140337748 804418818 /nfs/dbraw/zinc/41/88/18/804418818.db2.gz CGORNQQGZJUWIJ-HNNXBMFYSA-N 1 0 281.783 3.191 20 10 CGCDRO CCC[N@H+](Cc1c(O)cccc1Cl)C1CCOCC1 ZINC001140342249 804419935 /nfs/dbraw/zinc/41/99/35/804419935.db2.gz ZUXXQYNHSFXIKO-UHFFFAOYSA-N 1 0 283.799 3.437 20 10 CGCDRO Oc1cc(Cl)ccc1CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC001140467286 804443237 /nfs/dbraw/zinc/44/32/37/804443237.db2.gz ULUQFHISKIXDHV-HNNXBMFYSA-N 1 0 294.826 3.106 20 10 CGCDRO CO[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2O)[C@@H](C)C1 ZINC001140468602 804443943 /nfs/dbraw/zinc/44/39/43/804443943.db2.gz QGULFBUZMXDUMM-GXFFZTMASA-N 1 0 269.772 3.045 20 10 CGCDRO Cc1ccc(O)c(C[NH+]2CCC3(CC(F)C3)CC2)c1 ZINC001140619547 804476268 /nfs/dbraw/zinc/47/62/68/804476268.db2.gz GYXLCLUQFQSPES-UHFFFAOYSA-N 1 0 263.356 3.415 20 10 CGCDRO Cc1ccc(O)c(CN2CC[C@@H](CF)C(F)(F)C2)c1 ZINC001140617041 804476713 /nfs/dbraw/zinc/47/67/13/804476713.db2.gz AWJMKROAXGLQCK-LBPRGKRZSA-N 1 0 273.298 3.127 20 10 CGCDRO Cc1ccc(O)c(C[NH+]2CCC3(CCOC3(C)C)CC2)c1 ZINC001140624116 804478014 /nfs/dbraw/zinc/47/80/14/804478014.db2.gz GWHPKLHRKBUBIM-UHFFFAOYSA-N 1 0 289.419 3.482 20 10 CGCDRO Cc1c(O)ccc(CN2Cc3cccc(F)c3C2)c1O ZINC001140749269 804505050 /nfs/dbraw/zinc/50/50/50/804505050.db2.gz UVPKKORRHSTTMD-UHFFFAOYSA-N 1 0 273.307 3.061 20 10 CGCDRO CC(C)C[N@H+](C)Cc1ccc(N(C)C)cc1Cl ZINC001140921765 804549480 /nfs/dbraw/zinc/54/94/80/804549480.db2.gz OXWRAQXRZNMMIC-UHFFFAOYSA-N 1 0 254.805 3.494 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]3C[C@@H]32)c(Cl)c1 ZINC001140926673 804550764 /nfs/dbraw/zinc/55/07/64/804550764.db2.gz PPTVHUMJYWKGHC-ABAIWWIYSA-N 1 0 264.800 3.390 20 10 CGCDRO CC[C@H]1COCCN1Cc1ccc(N(C)C)cc1Cl ZINC001140924667 804550934 /nfs/dbraw/zinc/55/09/34/804550934.db2.gz LIOKHRRDUHDZTP-ZDUSSCGKSA-N 1 0 282.815 3.017 20 10 CGCDRO CN1CCOc2cc(C[N@@H+]3CC[C@H]4CCC[C@@H]4C3)ccc21 ZINC001141142090 804596596 /nfs/dbraw/zinc/59/65/96/804596596.db2.gz FEPXHYBJMYVELK-HZPDHXFCSA-N 1 0 286.419 3.137 20 10 CGCDRO CC(C)[C@@H]1CCC[N@@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001142527466 804733963 /nfs/dbraw/zinc/73/39/63/804733963.db2.gz VUTDRDKZPIVVAL-ZDUSSCGKSA-N 1 0 255.308 3.291 20 10 CGCDRO C[N@H+](Cc1cccc(C(C)(C)C)c1O)[C@H]1CC[C@H](O)CC1 ZINC001143104011 804801198 /nfs/dbraw/zinc/80/11/98/804801198.db2.gz OBEPWCAGAGXRKB-SHTZXODSSA-N 1 0 291.435 3.425 20 10 CGCDRO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001143103809 804802624 /nfs/dbraw/zinc/80/26/24/804802624.db2.gz KPOFZYKKQKGVGX-TZMCWYRMSA-N 1 0 277.408 3.035 20 10 CGCDRO CC(C)(C)c1cccc(C[N@@H+]2CCC[C@](C)(O)C2)c1O ZINC001143110610 804803946 /nfs/dbraw/zinc/80/39/46/804803946.db2.gz LGWXYQFJKZKTSO-KRWDZBQOSA-N 1 0 277.408 3.037 20 10 CGCDRO C[NH+](C)[C@@H]1CCCN(Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143110818 804804394 /nfs/dbraw/zinc/80/43/94/804804394.db2.gz QDEGNKNPNALXOZ-OAHLLOKOSA-N 1 0 290.451 3.216 20 10 CGCDRO CC[C@@H]1c2ccccc2CC[N@H+]1Cc1c(O)cc(O)cc1O ZINC001144515044 804997761 /nfs/dbraw/zinc/99/77/61/804997761.db2.gz CKLSMLWTOSHWHS-MRXNPFEDSA-N 1 0 299.370 3.313 20 10 CGCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@H]2C2CCCCC2)c(O)c1 ZINC001144515328 804998007 /nfs/dbraw/zinc/99/80/07/804998007.db2.gz KGKMFNGPBKQZHO-HNNXBMFYSA-N 1 0 291.391 3.348 20 10 CGCDRO C[C@@H]1CC[N@@H+]1Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001249223315 805115087 /nfs/dbraw/zinc/11/50/87/805115087.db2.gz DLQTVSTVIDBVKQ-LLVKDONJSA-N 1 0 259.349 3.171 20 10 CGCDRO Oc1ccccc1CN1CCC([NH2+]C2CCCCC2)CC1 ZINC001257452938 807164264 /nfs/dbraw/zinc/16/42/64/807164264.db2.gz XZLBPOULXYQASG-UHFFFAOYSA-N 1 0 288.435 3.279 20 10 CGCDRO CC(C)=CCC[C@@H](C)[NH2+]CCc1ccc(O)c(O)c1 ZINC001258076296 807294303 /nfs/dbraw/zinc/29/43/03/807294303.db2.gz KBOYOWAAZBBZCB-CYBMUJFWSA-N 1 0 263.381 3.365 20 10 CGCDRO COc1ccc2c(c1)C[C@H]([N@H+](C)Cc1ccccc1O)C2 ZINC001168285115 807373185 /nfs/dbraw/zinc/37/31/85/807373185.db2.gz ZUOSJCYVWFQFTB-MRXNPFEDSA-N 1 0 283.371 3.000 20 10 CGCDRO Oc1c(CNc2cc[nH+]cc2)cc(Cl)c2cccnc12 ZINC001168523357 807440615 /nfs/dbraw/zinc/44/06/15/807440615.db2.gz ALUZPBJZQVOIPR-UHFFFAOYSA-N 1 0 285.734 3.023 20 10 CGCDRO COc1ccc(N2CC[NH+]([C@@H]3CCC(C)(C)C3)CC2)cc1 ZINC001258603331 807501331 /nfs/dbraw/zinc/50/13/31/807501331.db2.gz XOTDABZOGITMIK-MRXNPFEDSA-N 1 0 288.435 3.396 20 10 CGCDRO C[C@H]1CCC[C@H]([N@@H+]2CCCc3cc(O)c(O)cc3C2)C1 ZINC001258826624 807641416 /nfs/dbraw/zinc/64/14/16/807641416.db2.gz DVNLLJTXDNZQTJ-WFASDCNBSA-N 1 0 275.392 3.425 20 10 CGCDRO C[C@@H]([NH2+]C1CC(C)(C)N(O)C(C)(C)C1)c1ccccc1O ZINC001169975911 807732970 /nfs/dbraw/zinc/73/29/70/807732970.db2.gz CDFCXZXOLUOLSW-GFCCVEGCSA-N 1 0 292.423 3.454 20 10 CGCDRO C[N@@H+]1CC[C@H](c2ccc(NCc3ccc(O)c(O)c3)cc2)C1 ZINC001169996609 807736014 /nfs/dbraw/zinc/73/60/14/807736014.db2.gz CUEGIWPDLKCRTG-HNNXBMFYSA-N 1 0 298.386 3.129 20 10 CGCDRO C[C@@H](CCCc1cccnc1)[NH2+]Cc1ccc(N)cc1 ZINC001262488000 807868251 /nfs/dbraw/zinc/86/82/51/807868251.db2.gz MTIGKMVLYXFSOG-AWEZNQCLSA-N 1 0 269.392 3.165 20 10 CGCDRO CC1(C)[C@@H]2C[C@@H]([N@@H+]3CCCc4cc(O)c(O)cc4C3)C[C@@H]21 ZINC001170765438 807903022 /nfs/dbraw/zinc/90/30/22/807903022.db2.gz SSHCQYHBLZTEJX-QKDCVEJESA-N 1 0 287.403 3.281 20 10 CGCDRO C[N@H+](Cc1ccccc1O)[C@@H]1Cc2cccc(F)c2C1 ZINC001171807125 808145395 /nfs/dbraw/zinc/14/53/95/808145395.db2.gz PYHQCVAAYJYYRO-CQSZACIVSA-N 1 0 271.335 3.131 20 10 CGCDRO CC[C@H](C)OCC[C@@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC001172320655 808230365 /nfs/dbraw/zinc/23/03/65/808230365.db2.gz YWXNYQUMVYPZQL-KGLIPLIRSA-N 1 0 277.408 3.305 20 10 CGCDRO CC[C@H](C)OCC[C@H](C)[NH2+]Cc1cccc(C)c1O ZINC001172334290 808237544 /nfs/dbraw/zinc/23/75/44/808237544.db2.gz HOLNHQRXMNBXDP-KBPBESRZSA-N 1 0 265.397 3.384 20 10 CGCDRO CC[C@@H](C)OCC[C@H](C)[N@H+](C)Cc1ccccc1O ZINC001172352763 808250003 /nfs/dbraw/zinc/25/00/03/808250003.db2.gz JEROFASBMYNGSV-UONOGXRCSA-N 1 0 265.397 3.418 20 10 CGCDRO CC(C)OCC[C@H](C)[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC001172453260 808324517 /nfs/dbraw/zinc/32/45/17/808324517.db2.gz GBWGXLRLUSORTB-HNNXBMFYSA-N 1 0 278.440 3.388 20 10 CGCDRO CC(C)OC(=O)CC[C@H](C)[NH2+][C@H](C)c1ccccc1O ZINC001172744088 808427944 /nfs/dbraw/zinc/42/79/44/808427944.db2.gz OGICJGJGUUSLJL-QWHCGFSZSA-N 1 0 279.380 3.163 20 10 CGCDRO CCc1ccc(C[C@H](C)[NH2+]Cc2cccc(O)c2O)cc1 ZINC001173240590 808548207 /nfs/dbraw/zinc/54/82/07/808548207.db2.gz IGUNVYAEZRKXQW-ZDUSSCGKSA-N 1 0 285.387 3.381 20 10 CGCDRO C[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccc(Cl)cc3[O-])(C1)CCC2 ZINC001275267602 808923297 /nfs/dbraw/zinc/92/32/97/808923297.db2.gz SQFVRHHHANRREU-JKSUJKDBSA-N 1 0 294.826 3.200 20 10 CGCDRO COc1ccc(N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCCC2)cc1 ZINC001276926955 809046158 /nfs/dbraw/zinc/04/61/58/809046158.db2.gz JHWCYOMXIOVGBG-CALCHBBNSA-N 1 0 286.419 3.291 20 10 CGCDRO Cc1cc(Nc2c(O)cccc2Br)cc[nH+]1 ZINC001174656400 809119188 /nfs/dbraw/zinc/11/91/88/809119188.db2.gz AKYNCSNDZRODNE-UHFFFAOYSA-N 1 0 279.137 3.024 20 10 CGCDRO Cc1cc(Nc2c(O)cccc2C(F)(F)F)cc[nH+]1 ZINC001174656477 809120283 /nfs/dbraw/zinc/12/02/83/809120283.db2.gz NSTUJNUDOIZZSK-UHFFFAOYSA-N 1 0 268.238 3.280 20 10 CGCDRO Cc1cc(C[NH2+]C2(C3CC3)CCC2)ccc1N(C)C ZINC001176037491 809606707 /nfs/dbraw/zinc/60/67/07/809606707.db2.gz WNHLNEWTORVUPD-UHFFFAOYSA-N 1 0 258.409 3.483 20 10 CGCDRO O=C1c2ccccc2-c2cccc(Nc3[nH]cc[nH+]3)c21 ZINC001176084678 809619263 /nfs/dbraw/zinc/61/92/63/809619263.db2.gz AXXVQHFZAGAXQU-UHFFFAOYSA-N 1 0 261.284 3.365 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CC2CC(C)(C)C2)cc1F ZINC001178505482 809871085 /nfs/dbraw/zinc/87/10/85/809871085.db2.gz UOPGSFZTCHEZNT-UHFFFAOYSA-N 1 0 264.388 3.418 20 10 CGCDRO COc1cc(C)cc(C[NH2+]C[C@H]2CCC[C@H]2C)c1O ZINC001181174831 810042190 /nfs/dbraw/zinc/04/21/90/810042190.db2.gz GIUHXCFQRHWDSM-CHWSQXEVSA-N 1 0 263.381 3.235 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H](CO)CCC(C)(C)C)c1O ZINC001181222898 810043873 /nfs/dbraw/zinc/04/38/73/810043873.db2.gz KXUVAXPKKXZFPY-OAHLLOKOSA-N 1 0 279.424 3.231 20 10 CGCDRO CC(C)[C@@H](CO)[C@H]([NH2+]Cc1ccc(Cl)cc1O)C(C)C ZINC001181893755 810081621 /nfs/dbraw/zinc/08/16/21/810081621.db2.gz TYEDFLZSZBGHNX-GDBMZVCRSA-N 1 0 299.842 3.424 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cc(C(C)C)ccc1O)[C@H](O)C(C)C ZINC001182387974 810108330 /nfs/dbraw/zinc/10/83/30/810108330.db2.gz QFWFUQGNIQGGLP-NVXWUHKLSA-N 1 0 279.424 3.401 20 10 CGCDRO Cc1cc(C[N@H+](C)[C@H](CO)CC(C)(C)C)ccc1N(C)C ZINC001194383325 811064136 /nfs/dbraw/zinc/06/41/36/811064136.db2.gz BLVXBHNOXWWRRJ-INIZCTEOSA-N 1 0 292.467 3.290 20 10 CGCDRO CCCOc1ccc(C[NH2+]C[C@H]2CCCN2CC)cc1C ZINC001198907744 811551368 /nfs/dbraw/zinc/55/13/68/811551368.db2.gz FWOJLKNAKNQICO-QGZVFWFLSA-N 1 0 290.451 3.358 20 10 CGCDRO COC[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccccc1 ZINC001201502170 811871454 /nfs/dbraw/zinc/87/14/54/811871454.db2.gz KDUPNZJYDWRQQO-QGZVFWFLSA-N 1 0 283.371 3.099 20 10 CGCDRO CCCOc1ccc(C[NH2+]CCOC(F)(F)F)cc1C ZINC001202017416 811998823 /nfs/dbraw/zinc/99/88/23/811998823.db2.gz CQYLMMHLCNELKN-UHFFFAOYSA-N 1 0 291.313 3.410 20 10 CGCDRO COc1ccc(C[N@H+](C)[C@H]2CC[C@H](C)CC2)c(O)c1 ZINC001203635452 812411984 /nfs/dbraw/zinc/41/19/84/812411984.db2.gz VNCDTFCYSKZQKD-MQMHXKEQSA-N 1 0 263.381 3.411 20 10 CGCDRO Oc1ccc(Br)cc1C[NH+]1CC2(CCC2)C1 ZINC001203635767 812412167 /nfs/dbraw/zinc/41/21/67/812412167.db2.gz FNBLAILTCOAMSA-UHFFFAOYSA-N 1 0 282.181 3.141 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@@]2(C1)CCCCO2 ZINC001203650815 812415186 /nfs/dbraw/zinc/41/51/86/812415186.db2.gz DJSIXPSDZXTSKV-OAHLLOKOSA-N 1 0 281.783 3.191 20 10 CGCDRO Oc1ccc(C[N@@H+]2CCC[C@@H]2c2cccs2)cc1O ZINC001203878504 812477777 /nfs/dbraw/zinc/47/77/77/812477777.db2.gz HPTOGEHMWLYWDQ-GFCCVEGCSA-N 1 0 275.373 3.496 20 10 CGCDRO Oc1ccc(C[NH+]2CCC3(CC(F)(F)C3)CC2)cc1O ZINC001203875109 812478603 /nfs/dbraw/zinc/47/86/03/812478603.db2.gz HLVUYOSENXPSPN-UHFFFAOYSA-N 1 0 283.318 3.109 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](C)[C@H](O)CC2)cc1 ZINC001203937186 812497752 /nfs/dbraw/zinc/49/77/52/812497752.db2.gz QZPHEHYMHMYQCE-CRAIPNDOSA-N 1 0 290.451 3.126 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCCC(=O)[C@H](C)C2)cc1 ZINC001203936917 812497884 /nfs/dbraw/zinc/49/78/84/812497884.db2.gz QSTWIRHQBKCPFW-OAHLLOKOSA-N 1 0 288.435 3.334 20 10 CGCDRO Cc1ccsc1C[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001204023966 812525254 /nfs/dbraw/zinc/52/52/54/812525254.db2.gz SDZYFPFHCNQOFN-UHFFFAOYSA-N 1 0 289.400 3.416 20 10 CGCDRO CN(C)c1ccc(C[NH+]2CC=CC2)c2ccccc21 ZINC001204232371 812580369 /nfs/dbraw/zinc/58/03/69/812580369.db2.gz BLGNRFOFKJDATQ-UHFFFAOYSA-N 1 0 252.361 3.278 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2ccc(N(C)C)c3ccccc23)C[C@H]1O ZINC001204234066 812582221 /nfs/dbraw/zinc/58/22/21/812582221.db2.gz WOWRYCBOZIEDDV-AUUYWEPGSA-N 1 0 298.430 3.109 20 10 CGCDRO CC[N@H+](Cc1ccc(N(C)C)c2ccccc12)C1COC1 ZINC001204242854 812582951 /nfs/dbraw/zinc/58/29/51/812582951.db2.gz SSEIFBKRSLRFNJ-UHFFFAOYSA-N 1 0 284.403 3.127 20 10 CGCDRO CC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001204240656 812583220 /nfs/dbraw/zinc/58/32/20/812583220.db2.gz CMSWPNICFZAZON-SFHVURJKSA-N 1 0 296.414 3.459 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@]23CCOC3)c2ccccc21 ZINC001204240533 812584483 /nfs/dbraw/zinc/58/44/83/812584483.db2.gz XAFLICMHOZBFOR-IBGZPJMESA-N 1 0 296.414 3.271 20 10 CGCDRO Oc1ccc(C[NH+]2CCC3(CC(F)(F)C3)CC2)c(O)c1 ZINC001204277023 812594091 /nfs/dbraw/zinc/59/40/91/812594091.db2.gz WGAJOPMAXZXTQC-UHFFFAOYSA-N 1 0 283.318 3.109 20 10 CGCDRO Oc1ccc(C[N@@H+]2CCC[C@H](Oc3ccccc3)C2)c(O)c1 ZINC001204275502 812594416 /nfs/dbraw/zinc/59/44/16/812594416.db2.gz UHAAHEUNDCDOQA-KRWDZBQOSA-N 1 0 299.370 3.141 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)CCCC1=O ZINC001204325651 812614962 /nfs/dbraw/zinc/61/49/62/812614962.db2.gz SRNARUGIZVTBBY-OAHLLOKOSA-N 1 0 286.419 3.088 20 10 CGCDRO COc1cc(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)cc(O)c1O ZINC001204345127 812615817 /nfs/dbraw/zinc/61/58/17/812615817.db2.gz MIFUPRUBNCFDAQ-KBPBESRZSA-N 1 0 291.391 3.261 20 10 CGCDRO CCC[C@H]1CCCC[N@@H+]1Cc1cc(O)c(O)c(OC)c1 ZINC001204344124 812615854 /nfs/dbraw/zinc/61/58/54/812615854.db2.gz DOVYGAVWFIKFPE-ZDUSSCGKSA-N 1 0 279.380 3.261 20 10 CGCDRO C[C@H]1c2ccccc2CC[N@H+]1Cc1ccc(N)cc1 ZINC001205164373 812893597 /nfs/dbraw/zinc/89/35/97/812893597.db2.gz DQKVMEYDWOLQEW-ZDUSSCGKSA-N 1 0 252.361 3.388 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+]C[C@@H]2CCC=CO2)c1 ZINC001205417359 812979638 /nfs/dbraw/zinc/97/96/38/812979638.db2.gz BBIQCEUBOGEBET-HNNXBMFYSA-N 1 0 261.365 3.298 20 10 CGCDRO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1c(C)cc(OC)cc1O ZINC001205489287 812991997 /nfs/dbraw/zinc/99/19/97/812991997.db2.gz NGJMHKQEIMSSGA-NHYWBVRUSA-N 1 0 263.381 3.330 20 10 CGCDRO C[C@H]1CC[C@@H](CN)[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC001205829742 813100118 /nfs/dbraw/zinc/10/01/18/813100118.db2.gz PNVXKOQDLMELRE-ZFWWWQNUSA-N 1 0 284.403 3.105 20 10 CGCDRO C[C@@H]1CCN(Cc2ccc(N(C)C)c3ccccc23)C[C@@H]1[NH3+] ZINC001205862932 813112339 /nfs/dbraw/zinc/11/23/39/813112339.db2.gz CQZALTHCAZIOIA-KDOFPFPSSA-N 1 0 297.446 3.075 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(CN2CC[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC001205868939 813113550 /nfs/dbraw/zinc/11/35/50/813113550.db2.gz XXOLGBUYZHXROR-KUHUBIRLSA-N 1 0 297.446 3.263 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(CN2CC[NH2+]C[C@@H](C)C2)cc1 ZINC001206269303 813264580 /nfs/dbraw/zinc/26/45/80/813264580.db2.gz JXKLUHWZPHDWHB-OAHLLOKOSA-N 1 0 297.446 3.135 20 10 CGCDRO C[C@H]1CN(Cc2cc(Cl)c(C(C)(C)C)cc2O)CC[NH2+]1 ZINC001206396532 813313491 /nfs/dbraw/zinc/31/34/91/813313491.db2.gz NEYCRCKCJJFCHK-NSHDSACASA-N 1 0 296.842 3.137 20 10 CGCDRO CC(C)[N@H+](Cc1cc(Cl)ccc1[O-])[C@@H]1CCC[NH2+]CC1 ZINC001206579933 813362720 /nfs/dbraw/zinc/36/27/20/813362720.db2.gz BGPAVOPDRABHSS-OAHLLOKOSA-N 1 0 296.842 3.398 20 10 CGCDRO Oc1cccc2c1C[N@H+](CC1(c3ccccc3)CC1)CC2 ZINC001207839037 813657717 /nfs/dbraw/zinc/65/77/17/813657717.db2.gz FFQIXNQDLXEUNE-UHFFFAOYSA-N 1 0 279.383 3.482 20 10 CGCDRO Oc1cccc2c1C[N@H+](CCc1ccc(F)c(F)c1)CC2 ZINC001209245957 813982720 /nfs/dbraw/zinc/98/27/20/813982720.db2.gz LMLFABAALFCJMC-UHFFFAOYSA-N 1 0 289.325 3.271 20 10 CGCDRO Cc1cc(C)c(CN2CCC[C@@]3(CCCC[NH2+]3)C2)c(O)c1 ZINC001222395112 816430938 /nfs/dbraw/zinc/43/09/38/816430938.db2.gz HEBCCRABYMEEQZ-SFHVURJKSA-N 1 0 288.435 3.117 20 10 CGCDRO Oc1ccc2ccccc2c1C[N@@H+]1CC[C@]2(CCCO2)C1 ZINC001231586824 818129933 /nfs/dbraw/zinc/12/99/33/818129933.db2.gz MLUKEBYSHWMAJK-GOSISDBHSA-N 1 0 283.371 3.300 20 10 CGCDRO Cc1cc(C)c(C[N@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)c(O)c1 ZINC001231841486 818185767 /nfs/dbraw/zinc/18/57/67/818185767.db2.gz BFCFXCIATCOLNA-BETUJISGSA-N 1 0 281.346 3.486 20 10 CGCDRO Cc1cc(C)c(C[N@@H+]2CCC(=O)[C@@H]3CCCC[C@H]32)c(O)c1 ZINC001231843013 818186161 /nfs/dbraw/zinc/18/61/61/818186161.db2.gz SCTGKEVDBJRNTE-GDBMZVCRSA-N 1 0 287.403 3.343 20 10 CGCDRO Cc1cc(C)c(C[NH+]2CCC3(CCCOC3)CC2)c(O)c1 ZINC001231846076 818187206 /nfs/dbraw/zinc/18/72/06/818187206.db2.gz AHAOBPZZWZHWQJ-UHFFFAOYSA-N 1 0 289.419 3.402 20 10 CGCDRO Cc1cc(C)c(C[N@H+]2C[C@H]3[C@H](CCC3(F)F)C2)c(O)c1 ZINC001231844310 818187270 /nfs/dbraw/zinc/18/72/70/818187270.db2.gz KYDNLHHPJSPEKR-OCCSQVGLSA-N 1 0 281.346 3.486 20 10 CGCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCCC[C@H]1C ZINC001231848546 818187501 /nfs/dbraw/zinc/18/75/01/818187501.db2.gz IGERCQFHSHSFRU-CYBMUJFWSA-N 1 0 262.397 3.136 20 10 CGCDRO Cc1cc(C)c(C[N@H+](C)C[C@H]2CCCCO2)c(O)c1 ZINC001231846391 818187582 /nfs/dbraw/zinc/18/75/82/818187582.db2.gz KVRLRHXTEKYBJF-CQSZACIVSA-N 1 0 263.381 3.010 20 10 CGCDRO Cc1cc(O)c(C[N@H+](C)Cc2cncs2)cc1Cl ZINC001231870226 818194009 /nfs/dbraw/zinc/19/40/09/818194009.db2.gz OQECGCZVBIKMGI-UHFFFAOYSA-N 1 0 282.796 3.443 20 10 CGCDRO CCC[N@H+](CCOC)Cc1cc(Cl)c(C)cc1O ZINC001231869247 818194113 /nfs/dbraw/zinc/19/41/13/818194113.db2.gz NKGJDXUGTANBEO-UHFFFAOYSA-N 1 0 271.788 3.212 20 10 CGCDRO CO[C@H](C)C1C[NH+](Cc2ccc3ccccc3c2O)C1 ZINC001231882348 818202008 /nfs/dbraw/zinc/20/20/08/818202008.db2.gz HKVQQSYWXQZCQW-GFCCVEGCSA-N 1 0 271.360 3.012 20 10 CGCDRO O=C1CCC[C@@H]2C[N@@H+](Cc3ccc4ccccc4c3O)C[C@@H]12 ZINC001231883173 818202610 /nfs/dbraw/zinc/20/26/10/818202610.db2.gz HAUPDBDYVGRNKC-RHSMWYFYSA-N 1 0 295.382 3.346 20 10 CGCDRO CC[N@H+](Cc1ccc2c[nH]nc2c1)Cc1ccccc1O ZINC001231908321 818208909 /nfs/dbraw/zinc/20/89/09/818208909.db2.gz OUOIPZQOHWTVBN-UHFFFAOYSA-N 1 0 281.359 3.291 20 10 CGCDRO C[C@H]1C[C@H](C)C[NH+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232262875 818298109 /nfs/dbraw/zinc/29/81/09/818298109.db2.gz UNQDPXMFXZIDFZ-UWVGGRQHSA-N 1 0 269.772 3.229 20 10 CGCDRO COC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)c(OC)cc1O ZINC001232265713 818298246 /nfs/dbraw/zinc/29/82/46/818298246.db2.gz DYCRMCOXFNRZPU-LBPRGKRZSA-N 1 0 299.798 3.055 20 10 CGCDRO CCCO[C@@H]1CC[N@H+](Cc2cc(Cl)c(OC)cc2O)C1 ZINC001232265412 818298355 /nfs/dbraw/zinc/29/83/55/818298355.db2.gz VXSSVCXKNJANNR-GFCCVEGCSA-N 1 0 299.798 3.055 20 10 CGCDRO COc1cc(O)c(C[N@H+](C)Cc2ccncc2)cc1Cl ZINC001232263879 818298645 /nfs/dbraw/zinc/29/86/45/818298645.db2.gz BAZHDMYDDSPIBO-UHFFFAOYSA-N 1 0 292.766 3.081 20 10 CGCDRO C[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1cc(Cl)c(O)cc1O ZINC001232269247 818300267 /nfs/dbraw/zinc/30/02/67/818300267.db2.gz YTUXCPUCURITKK-VHSXEESVSA-N 1 0 269.772 3.372 20 10 CGCDRO C[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2O)CC1 ZINC001232836744 818453721 /nfs/dbraw/zinc/45/37/21/818453721.db2.gz SKLQNDUQSOHYHD-CYBMUJFWSA-N 1 0 262.397 3.080 20 10 CGCDRO Oc1cc(C[N@@H+]2CCC[C@H]2c2ccccc2)cc(O)c1O ZINC001233014077 818502842 /nfs/dbraw/zinc/50/28/42/818502842.db2.gz YFXBYXRMHPVSJN-AWEZNQCLSA-N 1 0 285.343 3.141 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2cc(C(C)(C)C)ccc2O)CCC1=O ZINC001233284046 818566055 /nfs/dbraw/zinc/56/60/55/818566055.db2.gz FZRKPENIYTULON-CYBMUJFWSA-N 1 0 289.419 3.491 20 10 CGCDRO CN(C)C[C@@H]1CCC[N@@H+]1Cc1cc(C(C)(C)C)ccc1O ZINC001233286195 818567102 /nfs/dbraw/zinc/56/71/02/818567102.db2.gz JMGWJQOEJZPZAO-INIZCTEOSA-N 1 0 290.451 3.216 20 10 CGCDRO C[C@@H]1CCC[N@@H+]1Cc1ccc(C(F)(F)F)cc1O ZINC001233451432 818623538 /nfs/dbraw/zinc/62/35/38/818623538.db2.gz KJZMVTUTBUGMAH-SECBINFHSA-N 1 0 259.271 3.395 20 10 CGCDRO C[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccc(C(F)(F)F)cc1O ZINC001233451966 818623702 /nfs/dbraw/zinc/62/37/02/818623702.db2.gz GFSAJPFBQAWXOB-KCJUWKMLSA-N 1 0 277.261 3.343 20 10 CGCDRO Oc1cc(O)c(C[NH+]2CCC(c3ccccc3)CC2)cc1O ZINC001233483577 818625105 /nfs/dbraw/zinc/62/51/05/818625105.db2.gz FDZHGQGXQGECHE-UHFFFAOYSA-N 1 0 299.370 3.183 20 10 CGCDRO CC[N@H+](Cc1[nH]c(C)nc1C)Cc1ccc(N(C)C)cc1 ZINC001234653600 818905642 /nfs/dbraw/zinc/90/56/42/818905642.db2.gz APNMAJIROAWVOS-UHFFFAOYSA-N 1 0 286.423 3.115 20 10 CGCDRO CC[NH+]1CCN(c2ccc(O[C@@H]3CC[C@H](C)C3)cc2)CC1 ZINC001234657522 818906996 /nfs/dbraw/zinc/90/69/96/818906996.db2.gz DKNCFSISOFINRM-MAUKXSAKSA-N 1 0 288.435 3.396 20 10 CGCDRO Oc1c(C[N@H+]2CCC[C@H](O)C2)cccc1-c1ccccc1 ZINC001234992149 818970164 /nfs/dbraw/zinc/97/01/64/818970164.db2.gz NRFQVGOXPQKQCO-INIZCTEOSA-N 1 0 283.371 3.016 20 10 CGCDRO Oc1cc2ccccc2cc1CN1CCCC[C@]12CC[NH2+]C2 ZINC001235130086 819014015 /nfs/dbraw/zinc/01/40/15/819014015.db2.gz QVRCMQACHPKPNR-LJQANCHMSA-N 1 0 296.414 3.263 20 10 CGCDRO Cc1cc(C[N@H+](C)C[C@H]2CC[NH2+]C2)c(C)n1-c1ccccc1 ZINC001235843174 819184765 /nfs/dbraw/zinc/18/47/65/819184765.db2.gz XCPNHGKHABMNBX-KRWDZBQOSA-N 1 0 297.446 3.135 20 10 CGCDRO c1cc(N2CCCCC2)ccc1CN1CC2(C1)CCCC[NH2+]2 ZINC001235924626 819222985 /nfs/dbraw/zinc/22/29/85/819222985.db2.gz VTTRBAVCRWSFQQ-UHFFFAOYSA-N 1 0 299.462 3.005 20 10 CGCDRO Cc1cc(C[N@@H+]2CCc3cc(N)ccc3C2)ccc1N(C)C ZINC001236105854 819323058 /nfs/dbraw/zinc/32/30/58/819323058.db2.gz UALDCTVJAMXFTQ-UHFFFAOYSA-N 1 0 295.430 3.202 20 10 CGCDRO CCC[C@@H]1C[NH2+]CCN1Cc1c(C)n(C)c2ccccc21 ZINC001236131372 819333587 /nfs/dbraw/zinc/33/35/87/819333587.db2.gz SJYWUDZKVXKFIU-OAHLLOKOSA-N 1 0 285.435 3.061 20 10 CGCDRO C[NH2+][C@@H]1CCN1Cc1cc(Cl)c(C(C)(C)C)cc1O ZINC001236166898 819352335 /nfs/dbraw/zinc/35/23/35/819352335.db2.gz JIHQGXHHILOLPX-AWEZNQCLSA-N 1 0 282.815 3.094 20 10 CGCDRO Oc1cc2ccccc2cc1CN1CCC[C@H]([NH2+]C2CC2)C1 ZINC001236224165 819389292 /nfs/dbraw/zinc/38/92/92/819389292.db2.gz SHIJDOJXYZNREJ-SFHVURJKSA-N 1 0 296.414 3.262 20 10 CGCDRO C[C@@H]1[C@@H]([NH3+])CCCN1Cc1ccc(N(C)C)c2ccccc12 ZINC001236420484 819467373 /nfs/dbraw/zinc/46/73/73/819467373.db2.gz MTYHFOHBERDWCP-KDOFPFPSSA-N 1 0 297.446 3.217 20 10 CGCDRO COc1cc(C)c(C[N@H+](C)CCc2ccccc2)c(O)c1 ZINC001236812635 819603629 /nfs/dbraw/zinc/60/36/29/819603629.db2.gz AGIBQTOYUDBXJL-UHFFFAOYSA-N 1 0 285.387 3.384 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2C[C@@H](C)CC23CC3)c(Cl)c1 ZINC001236809316 819604870 /nfs/dbraw/zinc/60/48/70/819604870.db2.gz UTNGHYGJQDKTCN-JTQLQIEISA-N 1 0 281.783 3.429 20 10 CGCDRO Oc1cc2ccccc2cc1C[N@@H+]1CC[C@]2(CCCO2)C1 ZINC001236826152 819608709 /nfs/dbraw/zinc/60/87/09/819608709.db2.gz HJBDQLPJFYJJTB-GOSISDBHSA-N 1 0 283.371 3.300 20 10 CGCDRO CCO[C@@H]1CC[N@H+](Cc2cc3ccccc3cc2O)C1 ZINC001236835263 819614780 /nfs/dbraw/zinc/61/47/80/819614780.db2.gz FWHJGSUSXKLIMU-MRXNPFEDSA-N 1 0 271.360 3.156 20 10 CGCDRO C[N@H+](Cc1cc2ccccc2cc1O)[C@H]1CCCOC1 ZINC001236835544 819615183 /nfs/dbraw/zinc/61/51/83/819615183.db2.gz PTLBSDJKNUDOHU-INIZCTEOSA-N 1 0 271.360 3.156 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2CC[C@@H](C)[C@@](C)(O)CC2)c(O)c1 ZINC001237047019 819649818 /nfs/dbraw/zinc/64/98/18/819649818.db2.gz YQNBHQDHOOGQJX-KDOFPFPSSA-N 1 0 291.435 3.499 20 10 CGCDRO C[C@H]1CCC[N@@H+]1Cc1ccc(OCC(F)(F)F)cc1O ZINC001237052397 819652590 /nfs/dbraw/zinc/65/25/90/819652590.db2.gz XGVBXAPGKYFXJT-JTQLQIEISA-N 1 0 289.297 3.318 20 10 CGCDRO C[C@@H]1CCC[N@@H+]1Cc1cc(C(F)(F)F)ccc1O ZINC001237137120 819674967 /nfs/dbraw/zinc/67/49/67/819674967.db2.gz MMENSAUGOMOYPY-SECBINFHSA-N 1 0 259.271 3.395 20 10 CGCDRO C[N@H+](Cc1ccncc1)Cc1cc(C(F)(F)F)ccc1O ZINC001237134718 819675236 /nfs/dbraw/zinc/67/52/36/819675236.db2.gz AMAFVGDKSHSBKR-UHFFFAOYSA-N 1 0 296.292 3.438 20 10 CGCDRO CO[C@H]1CC[N@H+](Cc2c(O)ccc(F)c2Cl)[C@@H](C)C1 ZINC001237128546 819675249 /nfs/dbraw/zinc/67/52/49/819675249.db2.gz RKXRXWGKQSLYGG-UWVGGRQHSA-N 1 0 287.762 3.184 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCC(=O)[C@@H]2CCCC[C@H]21 ZINC001237483710 819760467 /nfs/dbraw/zinc/76/04/67/819760467.db2.gz RHXWBNSOAUZKTE-UKRRQHHQSA-N 1 0 273.376 3.034 20 10 CGCDRO CCCOC1CC[NH+](Cc2c(C)cccc2O)CC1 ZINC001237489400 819761687 /nfs/dbraw/zinc/76/16/87/819761687.db2.gz HEKGKUYSAZXDLS-UHFFFAOYSA-N 1 0 263.381 3.092 20 10 CGCDRO Cc1cccc(O)c1C[NH+]1CCc2ccccc2CC1 ZINC001237489462 819761705 /nfs/dbraw/zinc/76/17/05/819761705.db2.gz HXNJORYKBOSTRQ-UHFFFAOYSA-N 1 0 267.372 3.301 20 10 CGCDRO CC[N@H+](Cc1cccnc1)Cc1c(C)cccc1O ZINC001237488900 819762543 /nfs/dbraw/zinc/76/25/43/819762543.db2.gz AHXIGTXRMRWYTL-UHFFFAOYSA-N 1 0 256.349 3.118 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@H](OCc2ccccc2)C1 ZINC001237490660 819764719 /nfs/dbraw/zinc/76/47/19/819764719.db2.gz ZHWMTJDBCOUFIP-QGZVFWFLSA-N 1 0 297.398 3.492 20 10 CGCDRO CCC(CC)[N@H+](CC)Cc1cc(OC)cc(OC)c1O ZINC001237678085 819804330 /nfs/dbraw/zinc/80/43/30/819804330.db2.gz KAGBPJBOOYRXJK-UHFFFAOYSA-N 1 0 281.396 3.420 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2C[C@H]3CC[C@@H]2C3)cc1Br ZINC001237680328 819805939 /nfs/dbraw/zinc/80/59/39/819805939.db2.gz BOIGIUONNKWDRN-CMPLNLGQSA-N 1 0 296.208 3.447 20 10 CGCDRO Cc1cc(Cl)cc(C[NH+]2CC(c3cccnc3)C2)c1O ZINC001237686256 819806450 /nfs/dbraw/zinc/80/64/50/819806450.db2.gz JKTMNTGXHITNKH-UHFFFAOYSA-N 1 0 288.778 3.348 20 10 CGCDRO Cc1cc(Cl)cc(CN2CC[NH+](C(C)(C)C)CC2)c1O ZINC001237686735 819806781 /nfs/dbraw/zinc/80/67/81/819806781.db2.gz MKDSZLBWWQJAQX-UHFFFAOYSA-N 1 0 296.842 3.270 20 10 CGCDRO C[N@@H+](Cc1cc(F)c(Cl)cc1[O-])CC1CCOCC1 ZINC001237933387 819885638 /nfs/dbraw/zinc/88/56/38/819885638.db2.gz AVGFNYLTPKYRGP-UHFFFAOYSA-N 1 0 287.762 3.043 20 10 CGCDRO Cc1cc(F)cc(C[N@@H+]2CCOC3(CCCCC3)C2)c1O ZINC001238069529 819922644 /nfs/dbraw/zinc/92/26/44/819922644.db2.gz JDRJGKUNNXXUDK-UHFFFAOYSA-N 1 0 293.382 3.375 20 10 CGCDRO Oc1cccc2c1C[N@H+](Cc1cncc(C3CC3)c1)CC2 ZINC001238187543 819949396 /nfs/dbraw/zinc/94/93/96/819949396.db2.gz BHYHJDMPWWWEKJ-UHFFFAOYSA-N 1 0 280.371 3.223 20 10 CGCDRO C[N@@H+]1CCC=C(c2cc3c4c(c2)CCCN4CCC3)C1 ZINC001241570853 821956207 /nfs/dbraw/zinc/95/62/07/821956207.db2.gz PNCCAXOFMAVZPM-UHFFFAOYSA-N 1 0 268.404 3.104 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(-c2cnn(C3C[NH2+]C3)c2)cc1 ZINC001241602895 821984679 /nfs/dbraw/zinc/98/46/79/821984679.db2.gz OTVZMMWLNAHVDQ-UHFFFAOYSA-N 1 0 292.386 3.102 20 10 CGCDRO C[NH+]1CCN(c2ccc(C3=CCCCC3)cc2)CC1 ZINC001241717116 822097255 /nfs/dbraw/zinc/09/72/55/822097255.db2.gz NVTGYHQQTAHNON-UHFFFAOYSA-N 1 0 256.393 3.396 20 10 CGCDRO Cc1nc(CN(C)Cc2ccccc2O)c(C)s1 ZINC001335414283 936144765 /nfs/dbraw/zinc/14/47/65/936144765.db2.gz WDCOHDHHJSPXHF-UHFFFAOYSA-N 1 0 262.378 3.098 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+][C@H]1CCC[C@@H](F)C1 ZINC001346029708 936835564 /nfs/dbraw/zinc/83/55/64/936835564.db2.gz QWCHESDNEVDSJN-NEPJUHHUSA-N 1 0 257.736 3.416 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@H](C)C(C)(C)C)c1O ZINC001350328469 936987641 /nfs/dbraw/zinc/98/76/41/936987641.db2.gz UEWBEAVUQGQSTH-LLVKDONJSA-N 1 0 251.370 3.233 20 10 CGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]Cc1cc(N)ccn1 ZINC001350955169 937003890 /nfs/dbraw/zinc/00/38/90/937003890.db2.gz GXVREAVQCYMDSF-SMDDNHRTSA-N 1 0 283.375 3.016 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@@H](C)c2cnccc2C)c1O ZINC001353585346 937071065 /nfs/dbraw/zinc/07/10/65/937071065.db2.gz VBKRJENOJUDWBT-ZDUSSCGKSA-N 1 0 286.375 3.263 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCSCC2)c1 ZINC000692463915 926829203 /nfs/dbraw/zinc/82/92/03/926829203.db2.gz CPYRXKWJLGSELD-NWDGAFQWSA-N 1 0 281.421 3.337 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cnc(F)cc1C ZINC001356036962 937150877 /nfs/dbraw/zinc/15/08/77/937150877.db2.gz AHTSQTRPSGKPGO-UHFFFAOYSA-N 1 0 287.382 3.193 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]Cc1cc(Cl)ccc1O ZINC001474609209 937207535 /nfs/dbraw/zinc/20/75/35/937207535.db2.gz PPVHOGCWTRQEAI-UHFFFAOYSA-N 1 0 281.714 3.180 20 10 CGCDRO CCCOC1CC[NH+](Cc2c(C)ccc(C)c2O)CC1 ZINC001140178897 931957484 /nfs/dbraw/zinc/95/74/84/931957484.db2.gz BWELIPQNYYLUSJ-UHFFFAOYSA-N 1 0 277.408 3.400 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCCSC[C@H]2C)cc1 ZINC001460919550 937553461 /nfs/dbraw/zinc/55/34/61/937553461.db2.gz ZMAXUZLCZNJGIR-CQSZACIVSA-N 1 0 278.465 3.470 20 10 CGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H](CCO)c1ccco1 ZINC001461456931 937582373 /nfs/dbraw/zinc/58/23/73/937582373.db2.gz MPXZRDVQVKQQRL-OAHLLOKOSA-N 1 0 298.386 3.293 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@H]2C[C@@H](OCC)C2)cc1C ZINC001461567689 937586627 /nfs/dbraw/zinc/58/66/27/937586627.db2.gz SXRQLYUMHLSGKO-IYBDPMFKSA-N 1 0 277.408 3.441 20 10 CGCDRO CSC[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1O ZINC001461839879 937601111 /nfs/dbraw/zinc/60/11/11/937601111.db2.gz AMMJPBZUNDCYHC-GFCCVEGCSA-N 1 0 271.813 3.373 20 10 CGCDRO C[N@H+](CCC(F)(F)F)Cc1ccc(Cl)cc1O ZINC001461990936 937611496 /nfs/dbraw/zinc/61/14/96/937611496.db2.gz XGRBVFBRTNXMKJ-UHFFFAOYSA-N 1 0 267.678 3.430 20 10 CGCDRO CCCC[N@H+](CCCO)Cc1cc(Cl)c(C)cc1O ZINC001462201140 937625109 /nfs/dbraw/zinc/62/51/09/937625109.db2.gz UUBRHGAIRNYECW-UHFFFAOYSA-N 1 0 285.815 3.339 20 10 CGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CC[C@@H](CCCO)C2)c1 ZINC001462337662 937633821 /nfs/dbraw/zinc/63/38/21/937633821.db2.gz MVZNXAKZDCLYSU-CQSZACIVSA-N 1 0 277.408 3.110 20 10 CGCDRO CO[C@H](C[NH2+][C@H](C)Cc1ccc(N(C)C)cc1C)C1CC1 ZINC001462353072 937635051 /nfs/dbraw/zinc/63/50/51/937635051.db2.gz CYIQGNASZPTSFG-RDTXWAMCSA-N 1 0 290.451 3.007 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2ccc(Cl)cc2O)o1 ZINC001462480263 937644191 /nfs/dbraw/zinc/64/41/91/937644191.db2.gz OPDUIICRGLIQIB-UHFFFAOYSA-N 1 0 251.713 3.237 20 10 CGCDRO Cc1ccc(C[N@@H+]2C[C@@H]3C[C@]3(c3ccccc3)C2)c(O)c1 ZINC001462583217 937652141 /nfs/dbraw/zinc/65/21/41/937652141.db2.gz VXJLPNSVZPVZEX-PKOBYXMFSA-N 1 0 279.383 3.474 20 10 CGCDRO COc1cc(O)c(C[N@H+](C)[C@@H]2CCCC[C@@H]2C)cc1OC ZINC001308755614 933171550 /nfs/dbraw/zinc/17/15/50/933171550.db2.gz UXCGMNLYNOZZBG-GXTWGEPZSA-N 1 0 293.407 3.420 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C ZINC001308941671 933208459 /nfs/dbraw/zinc/20/84/59/933208459.db2.gz ZVZCCNUOIBEFBN-IKICRFKJSA-N 1 0 272.436 3.443 20 10 CGCDRO C[C@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)C[C@H]1F ZINC001319908870 933956973 /nfs/dbraw/zinc/95/69/73/933956973.db2.gz YRHDNPAEFMPYDI-WMLDXEAASA-N 1 0 276.399 3.467 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CC(C)(C)C2(C)C)cc1OC ZINC001320068033 933993478 /nfs/dbraw/zinc/99/34/78/933993478.db2.gz PROPDYVGNPECQH-UHFFFAOYSA-N 1 0 279.380 3.030 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1N(C)C)c1ccccc1O ZINC001320410073 934044624 /nfs/dbraw/zinc/04/46/24/934044624.db2.gz IDECKYQIRWWZMR-XHSDSOJGSA-N 1 0 276.424 3.306 20 10 CGCDRO C[C@@H](CC(=O)OC(C)(C)C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC001323475952 934399333 /nfs/dbraw/zinc/39/93/33/934399333.db2.gz OZNSHMHRFSPNSK-JTQLQIEISA-N 1 0 299.798 3.256 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@H](O)c1ccco1 ZINC001323829289 934429274 /nfs/dbraw/zinc/42/92/74/934429274.db2.gz GXMKRLGZWXWZBH-DYEKYZERSA-N 1 0 287.359 3.165 20 10 CGCDRO COc1ccc(N(C)CC[N@H+](C)CCC(C)C)cc1 ZINC001473610827 937813710 /nfs/dbraw/zinc/81/37/10/937813710.db2.gz UNEBRVQYBLMPFU-UHFFFAOYSA-N 1 0 264.413 3.109 20 10 CGCDRO CCn1cc[nH+]c1NCc1ccc(N2CCCC2)cc1 ZINC001326045577 934947091 /nfs/dbraw/zinc/94/70/91/934947091.db2.gz KQZZUJBANLPBHW-UHFFFAOYSA-N 1 0 270.380 3.115 20 10 CGCDRO CC(C)C[C@@H](CO)[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001327421356 935058242 /nfs/dbraw/zinc/05/82/42/935058242.db2.gz XCYLDGIFPGXZIA-SFHVURJKSA-N 1 0 290.451 3.126 20 10 CGCDRO CCn1nccc1C[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2C ZINC001328491004 935143280 /nfs/dbraw/zinc/14/32/80/935143280.db2.gz GTOBIVOGEANJQQ-GXTWGEPZSA-N 1 0 285.391 3.255 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H]1C[C@H](C)n2ncnc21 ZINC001333321377 935526123 /nfs/dbraw/zinc/52/61/23/935526123.db2.gz JAMWSPUPUOORIV-VOAKCMCISA-N 1 0 298.390 3.136 20 10 CGCDRO CCC1(C[NH2+]Cc2ccc(OC)c(OC)c2O)CCCC1 ZINC001333737053 936061538 /nfs/dbraw/zinc/06/15/38/936061538.db2.gz GEBQVTTYFFJCER-UHFFFAOYSA-N 1 0 293.407 3.469 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@@H]2CCC[C@@H](F)C2)c1O ZINC001334375495 936100698 /nfs/dbraw/zinc/10/06/98/936100698.db2.gz RPDGWQHKYIRORB-CHWSQXEVSA-N 1 0 267.344 3.080 20 10 CGCDRO C[C@@H]1C[C@H](c2cccnc2)[N@H+](Cc2ccc(N)cc2)C1 ZINC001334774149 936112662 /nfs/dbraw/zinc/11/26/62/936112662.db2.gz DVPHIOAREBBFQP-CXAGYDPISA-N 1 0 267.376 3.247 20 10 CGCDRO Cc1ncccc1CC[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001337791127 936289137 /nfs/dbraw/zinc/28/91/37/936289137.db2.gz JGPATMMFFUDEFF-UHFFFAOYSA-N 1 0 295.430 3.323 20 10 CGCDRO Clc1ccc(C[NH2+]CCCSc2nccs2)cn1 ZINC001474018511 937835972 /nfs/dbraw/zinc/83/59/72/937835972.db2.gz RLNNPAIQTSTTAW-UHFFFAOYSA-N 1 0 299.852 3.464 20 10 CGCDRO COc1ccc(C[N@@H+]2C[C@H](C)CCC[C@@H]2C)c(O)c1OC ZINC001474371035 937855524 /nfs/dbraw/zinc/85/55/24/937855524.db2.gz LGQNEANFCHXZBB-OLZOCXBDSA-N 1 0 293.407 3.420 20 10 CGCDRO CCCCC[N@@H+](C/C=C\c1ccc(N(C)C)cc1)CCO ZINC001474414275 937858004 /nfs/dbraw/zinc/85/80/04/937858004.db2.gz WEEKKGOYJTUXIF-FPLPWBNLSA-N 1 0 290.451 3.250 20 10 CGCDRO C[C@@H](CC(F)(F)F)[NH2+]Cc1ccc(Cl)cc1O ZINC001474421286 937858908 /nfs/dbraw/zinc/85/89/08/937858908.db2.gz CIYHATHWUVJMQH-ZETCQYMHSA-N 1 0 267.678 3.476 20 10 CGCDRO CCCN(C[C@]1(C)CCCCO1)c1ccc(C[NH3+])cc1 ZINC001474496214 937863074 /nfs/dbraw/zinc/86/30/74/937863074.db2.gz RTBXDHRFRFNRRE-KRWDZBQOSA-N 1 0 276.424 3.321 20 10 CGCDRO CC[C@H](C)[NH+]1CCN(Cc2ccc3ccccc3c2O)CC1 ZINC001560834307 938278230 /nfs/dbraw/zinc/27/82/30/938278230.db2.gz JXOQVJSIYXYZLP-HNNXBMFYSA-N 1 0 298.430 3.462 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CCC[C@@H](C3CC3)C2)c(O)c1 ZINC001560867818 938280636 /nfs/dbraw/zinc/28/06/36/938280636.db2.gz OPUVQPSBNQLTFT-CQSZACIVSA-N 1 0 275.392 3.331 20 10 CGCDRO Cc1ccc(C[N@@H+](C)C[C@]23CCC[C@H]2OCC3)c(O)c1 ZINC001561051675 938291908 /nfs/dbraw/zinc/29/19/08/938291908.db2.gz FPQDELQXDUSSJI-IAGOWNOFSA-N 1 0 275.392 3.092 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CCCC(F)(F)F)cc1 ZINC000097988836 282290242 /nfs/dbraw/zinc/29/02/42/282290242.db2.gz PCIZYQNNLBJFOS-UHFFFAOYSA-N 1 0 260.303 3.185 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)[C@H]2CCOC2)cc1F ZINC000266139895 346408156 /nfs/dbraw/zinc/40/81/56/346408156.db2.gz GRCFFPOKSYRIEI-ZFWWWQNUSA-N 1 0 294.414 3.187 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCc2cscn2)c1 ZINC000104449838 186007025 /nfs/dbraw/zinc/00/70/25/186007025.db2.gz ZAKTUFHFCNUCBZ-LLVKDONJSA-N 1 0 262.378 3.050 20 10 CGCDRO CCOCC[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000036229021 369014440 /nfs/dbraw/zinc/01/44/40/369014440.db2.gz TWTZGANKMAVTTF-GFCCVEGCSA-N 1 0 259.349 3.233 20 10 CGCDRO CCOc1cccc(C[NH2+][C@H](C)[C@H](C)CC)c1O ZINC000042551992 369223673 /nfs/dbraw/zinc/22/36/73/369223673.db2.gz OZHCXUDXHUVSPY-VXGBXAGGSA-N 1 0 251.370 3.315 20 10 CGCDRO CCOC(C)(C)C[NH2+][C@H](CC)c1ccccc1O ZINC000159231315 261181606 /nfs/dbraw/zinc/18/16/06/261181606.db2.gz AQEHSBOCDQGORE-CYBMUJFWSA-N 1 0 251.370 3.248 20 10 CGCDRO Cc1cc(C[C@@H](C)[NH2+][C@@H](C)c2ccc(N(C)C)cc2)[nH]n1 ZINC000090531839 370062236 /nfs/dbraw/zinc/06/22/36/370062236.db2.gz WEYULYPSJRMYDL-OCCSQVGLSA-N 1 0 286.423 3.066 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@]3(CCOC3)C2)cc1 ZINC000093820739 370161740 /nfs/dbraw/zinc/16/17/40/370161740.db2.gz HLNHSLCJMFGFOI-SFHVURJKSA-N 1 0 288.435 3.145 20 10 CGCDRO C[N@@H+](Cc1ccccc1O)C[C@H](O)c1ccccc1Cl ZINC000111235612 370394447 /nfs/dbraw/zinc/39/44/47/370394447.db2.gz HVDMFHXPKISJQM-INIZCTEOSA-N 1 0 291.778 3.211 20 10 CGCDRO Oc1ccccc1C[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000111245078 370394698 /nfs/dbraw/zinc/39/46/98/370394698.db2.gz FFVGWWQVYQCNML-INIZCTEOSA-N 1 0 275.392 3.316 20 10 CGCDRO Oc1ccccc1C[N@H+](C/C=C/Cl)C[C@H]1CCCO1 ZINC000135208623 371401581 /nfs/dbraw/zinc/40/15/81/371401581.db2.gz RTOQCLJBZJAQHH-YOIVXCQUSA-N 1 0 281.783 3.126 20 10 CGCDRO CC[C@H]([NH2+]Cc1cnccc1OC)c1ccccc1O ZINC000287966114 371721108 /nfs/dbraw/zinc/72/11/08/371721108.db2.gz ZAGFEQYWGJGYDA-AWEZNQCLSA-N 1 0 272.348 3.037 20 10 CGCDRO OCC[C@H]([NH2+]Cc1ccccc1O)c1ccc(Cl)cc1 ZINC000288533696 371740093 /nfs/dbraw/zinc/74/00/93/371740093.db2.gz VZQFRKQAIZRVFS-HNNXBMFYSA-N 1 0 291.778 3.259 20 10 CGCDRO COc1cccc(C[NH2+][C@@H]2CS[C@@H](C(C)(C)C)C2)c1O ZINC000289176448 371752964 /nfs/dbraw/zinc/75/29/64/371752964.db2.gz ABTXBLSIJCEYRE-GXTWGEPZSA-N 1 0 295.448 3.411 20 10 CGCDRO CS[C@@H]1CC[C@@H]1[NH2+]Cc1c(C)c2ccccc2n1C ZINC000425338406 372121724 /nfs/dbraw/zinc/12/17/24/372121724.db2.gz PGIYKIPRZQHPMX-XJKSGUPXSA-N 1 0 274.433 3.470 20 10 CGCDRO CC[C@H](O)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000293732292 372465124 /nfs/dbraw/zinc/46/51/24/372465124.db2.gz QBTDHQHQMVJPRC-ZFWWWQNUSA-N 1 0 294.414 3.238 20 10 CGCDRO CC[C@@H]([NH2+]Cc1snnc1C)c1ccc(N(C)C)cc1 ZINC000293736238 372466641 /nfs/dbraw/zinc/46/66/41/372466641.db2.gz QKURWOVVNWINGX-CQSZACIVSA-N 1 0 290.436 3.153 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](O)Cc2ccccc2)c(O)c1 ZINC000293792285 372483015 /nfs/dbraw/zinc/48/30/15/372483015.db2.gz QQUKZOCUXOBNDS-WBVHZDCISA-N 1 0 299.414 3.263 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H](OC)C1CC1)c1ccc(N(C)C)cc1 ZINC000293876283 372509553 /nfs/dbraw/zinc/50/95/53/372509553.db2.gz ZZGNOMLFVPJWDF-SJORKVTESA-N 1 0 276.424 3.218 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)CC(C)(C)O)cc1 ZINC000295124253 372693501 /nfs/dbraw/zinc/69/35/01/372693501.db2.gz XBALSUOZXVWEQD-CQSZACIVSA-N 1 0 278.440 3.172 20 10 CGCDRO CCn1cc([C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2O)cn1 ZINC000296009930 372993673 /nfs/dbraw/zinc/99/36/73/372993673.db2.gz RBKJVFBSEPYXAD-MNOVXSKESA-N 1 0 277.343 3.160 20 10 CGCDRO CCn1ccnc1C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000296251905 373067637 /nfs/dbraw/zinc/06/76/37/373067637.db2.gz CXIGFLXMZRKTMK-ZDUSSCGKSA-N 1 0 299.418 3.338 20 10 CGCDRO CC/C=C/C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000296325814 373090915 /nfs/dbraw/zinc/09/09/15/373090915.db2.gz HBPATMKRWHIJMG-ISZGNANSSA-N 1 0 292.398 3.279 20 10 CGCDRO CCC1(CC)C[NH+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000297497673 373272362 /nfs/dbraw/zinc/27/23/62/373272362.db2.gz URKYWBFTOAKLKG-UHFFFAOYSA-N 1 0 279.380 3.031 20 10 CGCDRO C[C@H](C[C@@H](O)c1ccccc1)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296933111 373252272 /nfs/dbraw/zinc/25/22/72/373252272.db2.gz QBOHLDUJZGKGTP-RPVQJOFSSA-N 1 0 297.398 3.481 20 10 CGCDRO OCCC[C@@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1ccccc1 ZINC000297760194 373278986 /nfs/dbraw/zinc/27/89/86/373278986.db2.gz OTSRLVZDGTWFEI-IAGOWNOFSA-N 1 0 297.398 3.483 20 10 CGCDRO CO[C@H](C[NH2+][C@H]1CCc2cccc(O)c21)C(C)(C)C ZINC000297921195 373283883 /nfs/dbraw/zinc/28/38/83/373283883.db2.gz XDVDAKADDNQHMC-GXTWGEPZSA-N 1 0 263.381 3.030 20 10 CGCDRO Cc1cc(Cl)cc(C[N@H+](C[C@H]2CCOC2)C2CC2)c1O ZINC000179678775 373903324 /nfs/dbraw/zinc/90/33/24/373903324.db2.gz JGZVFJJDJBRCQP-GFCCVEGCSA-N 1 0 295.810 3.355 20 10 CGCDRO Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1O ZINC000179887697 373933930 /nfs/dbraw/zinc/93/39/30/373933930.db2.gz IUKWBSJNNYJRAC-HNNXBMFYSA-N 1 0 274.339 3.207 20 10 CGCDRO C[C@@H]([NH2+]C1Cc2ccccc2C1)c1ccccc1O ZINC000179888079 373934093 /nfs/dbraw/zinc/93/40/93/373934093.db2.gz XNYCTYUNKQEZRI-GFCCVEGCSA-N 1 0 253.345 3.210 20 10 CGCDRO Cc1cccc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1O ZINC000180413190 374001158 /nfs/dbraw/zinc/00/11/58/374001158.db2.gz HBCIBUHZNOUTTR-SJORKVTESA-N 1 0 288.435 3.148 20 10 CGCDRO CSCC[C@@H](C)[N@H+](C)Cc1cccc(C)c1O ZINC000180349711 373992173 /nfs/dbraw/zinc/99/21/73/373992173.db2.gz RGUKJXAMDKRNIF-GFCCVEGCSA-N 1 0 253.411 3.274 20 10 CGCDRO COc1ccc(O)c(C[N@H+](C)Cc2cc(Cl)cn2C)c1 ZINC000180709477 374038142 /nfs/dbraw/zinc/03/81/42/374038142.db2.gz YEYTYSCJLALRPD-UHFFFAOYSA-N 1 0 294.782 3.025 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1nccn1C ZINC000182386086 374267077 /nfs/dbraw/zinc/26/70/77/374267077.db2.gz PUXHNBSYVFVSRD-KRWDZBQOSA-N 1 0 298.434 3.261 20 10 CGCDRO COC[C@@H]([NH2+]Cc1cc(Cl)cc(C)c1O)c1ccco1 ZINC000182531875 374288210 /nfs/dbraw/zinc/28/82/10/374288210.db2.gz TYPMFWAVJFUXIN-CYBMUJFWSA-N 1 0 295.766 3.424 20 10 CGCDRO CO[C@@H](C[NH2+][C@@H](C)c1ccccc1O)c1ccccc1 ZINC000183436891 374414151 /nfs/dbraw/zinc/41/41/51/374414151.db2.gz HHBWDECAXOPTAO-GUYCJALGSA-N 1 0 271.360 3.431 20 10 CGCDRO COC1(C[NH2+]Cc2cccc(C)c2O)CCCCC1 ZINC000187464077 375026603 /nfs/dbraw/zinc/02/66/03/375026603.db2.gz JMPIIHYOBKJQQD-UHFFFAOYSA-N 1 0 263.381 3.140 20 10 CGCDRO Cc1ccc2c(c1)nc(C[NH2+]Cc1cc(C)ccc1O)n2C ZINC000187573848 375044996 /nfs/dbraw/zinc/04/49/96/375044996.db2.gz VQENOBHBWSKZDM-UHFFFAOYSA-N 1 0 295.386 3.186 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1CCO)c1cc(Cl)ccc1O ZINC000187975131 375129520 /nfs/dbraw/zinc/12/95/20/375129520.db2.gz XAYKYCVHJXGEJR-MISXGVKJSA-N 1 0 283.799 3.247 20 10 CGCDRO CCOC1CC(CC[NH2+][C@H](C)c2cc(OC)ccc2O)C1 ZINC000189267636 375352195 /nfs/dbraw/zinc/35/21/95/375352195.db2.gz ZYEJIAHQMLFAKZ-DNOWBOINSA-N 1 0 293.407 3.257 20 10 CGCDRO Cc1ccc(O)c(C[N@H+]2CCSCC[C@@H]2C)c1 ZINC000191812761 375664680 /nfs/dbraw/zinc/66/46/80/375664680.db2.gz MHIJWAZOKLOHMK-LBPRGKRZSA-N 1 0 251.395 3.028 20 10 CGCDRO C[C@H]1CCSCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000191818264 375667331 /nfs/dbraw/zinc/66/73/31/375667331.db2.gz RKXVLWBAGLEOIP-ZDUSSCGKSA-N 1 0 264.438 3.080 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]Cc2cc(F)ccc2O)c1 ZINC000226585525 376366054 /nfs/dbraw/zinc/36/60/54/376366054.db2.gz MSFICJXAROVJEY-LLVKDONJSA-N 1 0 275.323 3.391 20 10 CGCDRO CC(C)[N@H+](CCC(C)(C)O)Cc1ccc(N(C)C)cc1 ZINC000267396370 378037707 /nfs/dbraw/zinc/03/77/07/378037707.db2.gz IFOMZDUPTVNRSG-UHFFFAOYSA-N 1 0 278.440 3.124 20 10 CGCDRO CCC(CC)(CCO)C[NH2+]Cc1c(O)cccc1Cl ZINC000266648195 378024864 /nfs/dbraw/zinc/02/48/64/378024864.db2.gz XHOGCXSCIISBJZ-UHFFFAOYSA-N 1 0 285.815 3.324 20 10 CGCDRO CC[C@@H]([NH2+]CC[C@H](C)OC)c1ccc(N(C)C)cc1 ZINC000268808948 378116788 /nfs/dbraw/zinc/11/67/88/378116788.db2.gz CRGABDYQFNJHPJ-XJKSGUPXSA-N 1 0 264.413 3.218 20 10 CGCDRO Cc1ccc([C@H](O)C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000268808158 378117036 /nfs/dbraw/zinc/11/70/36/378117036.db2.gz SNOSSHMMRHVQBM-HNAYVOBHSA-N 1 0 298.430 3.445 20 10 CGCDRO CCN(CC)c1ccc(CN(C)Cc2ccon2)cc1F ZINC000271176703 378472712 /nfs/dbraw/zinc/47/27/12/378472712.db2.gz GCBCHZWKHSIMPK-UHFFFAOYSA-N 1 0 291.370 3.292 20 10 CGCDRO OCC1CC[NH+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000271037129 378435612 /nfs/dbraw/zinc/43/56/12/378435612.db2.gz KNWRXOKNFUQJRR-UHFFFAOYSA-N 1 0 297.398 3.264 20 10 CGCDRO CCCOc1ccc(C[NH2+]C[C@@H]2CCO[C@H](C)C2)c(O)c1 ZINC000271581652 378498755 /nfs/dbraw/zinc/49/87/55/378498755.db2.gz YLNIDRLZYQMNPN-ZIAGYGMSSA-N 1 0 293.407 3.086 20 10 CGCDRO CC[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1ccccc1O ZINC000271733443 378502692 /nfs/dbraw/zinc/50/26/92/378502692.db2.gz SXZKPCRAYNKIQA-RDJZCZTQSA-N 1 0 289.350 3.306 20 10 CGCDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000272338371 378615241 /nfs/dbraw/zinc/61/52/41/378615241.db2.gz YDWWRRPRIBFDAM-AWEZNQCLSA-N 1 0 260.312 3.197 20 10 CGCDRO C[C@H]1C[C@@H](CC[NH2+]Cc2c(O)cccc2Cl)CCO1 ZINC000273051500 378736191 /nfs/dbraw/zinc/73/61/91/378736191.db2.gz KKDDEGLPBKDFCK-RYUDHWBXSA-N 1 0 283.799 3.340 20 10 CGCDRO C[C@@H]([NH2+]CC[C@@H]1CCO[C@H](C)C1)c1ccccc1O ZINC000273175095 378737772 /nfs/dbraw/zinc/73/77/72/378737772.db2.gz CSWUVAHHECQXFX-MGPQQGTHSA-N 1 0 263.381 3.248 20 10 CGCDRO C[C@H]([NH2+]Cc1cccc(N(C)C)c1)c1cc(F)ccc1O ZINC000273361047 378741715 /nfs/dbraw/zinc/74/17/15/378741715.db2.gz AIVDZSDUJDTHMJ-LBPRGKRZSA-N 1 0 288.366 3.448 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCn2cnc3ccccc32)c(O)c1 ZINC000273423264 378745209 /nfs/dbraw/zinc/74/52/09/378745209.db2.gz SPPLROHPPLNRPG-AWEZNQCLSA-N 1 0 295.386 3.401 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCCCO2)c(O)c1 ZINC000273467844 378748310 /nfs/dbraw/zinc/74/83/10/378748310.db2.gz JGBBPFXIJGADMZ-ZENOOKHLSA-N 1 0 263.381 3.309 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(N(C)C)n2)c(O)c1C ZINC000273481175 378749499 /nfs/dbraw/zinc/74/94/99/378749499.db2.gz LZPRUJICFYEISA-CQSZACIVSA-N 1 0 299.418 3.321 20 10 CGCDRO C[C@H]([NH2+]CCCc1nccs1)c1cc(F)ccc1O ZINC000273525937 378752850 /nfs/dbraw/zinc/75/28/50/378752850.db2.gz VEAVZCIOXZEFIX-JTQLQIEISA-N 1 0 280.368 3.271 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2c3ccccc3C[C@@H]2O)c(O)c1C ZINC000273579324 378753596 /nfs/dbraw/zinc/75/35/96/378753596.db2.gz MGBGGVWGSSNOFS-KKXDTOCCSA-N 1 0 297.398 3.318 20 10 CGCDRO Cc1nc(C)c(C[NH2+][C@H](C)c2cc(F)ccc2O)s1 ZINC000273584552 378753918 /nfs/dbraw/zinc/75/39/18/378753918.db2.gz NNEVIWYKQRJMCV-MRVPVSSYSA-N 1 0 280.368 3.455 20 10 CGCDRO CO[C@H](C)CC[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000273584355 378754268 /nfs/dbraw/zinc/75/42/68/378754268.db2.gz NJKUDUOGJOVERA-CHWSQXEVSA-N 1 0 277.408 3.347 20 10 CGCDRO OCCCC1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000272833759 378711725 /nfs/dbraw/zinc/71/17/25/378711725.db2.gz GAXWJXLOSOCEGD-UHFFFAOYSA-N 1 0 283.799 3.030 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)c2ccsc2)c(O)c1C ZINC000273600584 378755585 /nfs/dbraw/zinc/75/55/85/378755585.db2.gz RUAVKELEDMKOPT-WFASDCNBSA-N 1 0 291.416 3.455 20 10 CGCDRO C[C@]1([NH2+]Cc2cc(Cl)ccc2O)CCO[C@@H]1C1CC1 ZINC000371746904 379174275 /nfs/dbraw/zinc/17/42/75/379174275.db2.gz MXWVQHCCBRTHGU-CABCVRRESA-N 1 0 281.783 3.093 20 10 CGCDRO CCCOc1ccc(C[N@@H+]2CCCO[C@@H](CC)C2)c(O)c1 ZINC000281335753 379829463 /nfs/dbraw/zinc/82/94/63/379829463.db2.gz SIQRHZBOMOIIEB-HNNXBMFYSA-N 1 0 293.407 3.182 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CCC[C@H]1c1nccs1 ZINC000378493173 379832629 /nfs/dbraw/zinc/83/26/29/379832629.db2.gz HZCLRXVAGAAHCC-LBPRGKRZSA-N 1 0 260.362 3.186 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CCCC(F)(F)C2)c1 ZINC000282598971 379951680 /nfs/dbraw/zinc/95/16/80/379951680.db2.gz WEMKDRXJCUEYJS-LLVKDONJSA-N 1 0 285.334 3.316 20 10 CGCDRO CCSCCC[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000282840221 379999282 /nfs/dbraw/zinc/99/92/82/379999282.db2.gz SSDHJNWDEIKPAR-LBPRGKRZSA-N 1 0 253.411 3.494 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2cc(C)nn2C)cc1 ZINC000284321612 380138277 /nfs/dbraw/zinc/13/82/77/380138277.db2.gz LUYJXAIYBDAJJW-AWEZNQCLSA-N 1 0 286.423 3.035 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCC[C@@H](C)CO)c(O)c1 ZINC000285341923 380148171 /nfs/dbraw/zinc/14/81/71/380148171.db2.gz UURRTMODMBRURG-BXUZGUMPSA-N 1 0 265.397 3.068 20 10 CGCDRO Cc1cc(C[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)n(C)n1 ZINC000284076510 380124356 /nfs/dbraw/zinc/12/43/56/380124356.db2.gz AYQBPGYNHUVSPF-ZDUSSCGKSA-N 1 0 299.418 3.164 20 10 CGCDRO CCC[C@@]1([NH2+]Cc2ccc(OC)c(C)c2)CCOC1 ZINC000285604032 380150918 /nfs/dbraw/zinc/15/09/18/380150918.db2.gz VKPHNWWEHZSVOX-MRXNPFEDSA-N 1 0 263.381 3.052 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000367689431 382353557 /nfs/dbraw/zinc/35/35/57/382353557.db2.gz VLLOSPLZSNRBAJ-LSDHHAIUSA-N 1 0 275.392 3.031 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)c1ccc(N(C)C)cc1 ZINC000368100867 382364768 /nfs/dbraw/zinc/36/47/68/382364768.db2.gz IPQMAJPTTNWQGY-ZBFHGGJFSA-N 1 0 298.434 3.074 20 10 CGCDRO CCCOc1ccc(C[N@@H+]2CC[C@@H](COCC)C2)c(O)c1 ZINC000093839223 392240908 /nfs/dbraw/zinc/24/09/08/392240908.db2.gz HSUNYKZZOAZPNM-CQSZACIVSA-N 1 0 293.407 3.039 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1CSC1(C)C)c1ccccc1O ZINC000282681509 392294361 /nfs/dbraw/zinc/29/43/61/392294361.db2.gz AAGZPTMEQJWDFB-DGCLKSJQSA-N 1 0 251.395 3.327 20 10 CGCDRO Oc1ccccc1C[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000134230306 392466589 /nfs/dbraw/zinc/46/65/89/392466589.db2.gz KXXIIEUHONJEAJ-HNNXBMFYSA-N 1 0 257.308 3.308 20 10 CGCDRO Cc1cccc(C[NH2+]CCOC2CCCCC2)c1O ZINC000124745784 392436384 /nfs/dbraw/zinc/43/63/84/392436384.db2.gz KBKQFDLCNVDGNR-UHFFFAOYSA-N 1 0 263.381 3.140 20 10 CGCDRO COc1cccc(C[N@@H+]2CC[C@H](c3ccccc3)C2)c1O ZINC000133700727 392462927 /nfs/dbraw/zinc/46/29/27/392462927.db2.gz WJSQEAPNBYBDIB-HNNXBMFYSA-N 1 0 283.371 3.390 20 10 CGCDRO CC[C@H]([NH2+]CCc1cccnc1)c1ccc(N(C)C)cc1 ZINC000133503127 392463152 /nfs/dbraw/zinc/46/31/52/392463152.db2.gz SCHVTTLNWLQQCZ-SFHVURJKSA-N 1 0 283.419 3.431 20 10 CGCDRO Cc1ccc(O)c(C[N@H+](C)Cc2ccc3c(c2)OCO3)c1 ZINC000120066255 392398478 /nfs/dbraw/zinc/39/84/78/392398478.db2.gz QPFZQWIRAQQGQW-UHFFFAOYSA-N 1 0 285.343 3.061 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CC2CCOCC2)cc1 ZINC000178279386 392676228 /nfs/dbraw/zinc/67/62/28/392676228.db2.gz PLOIRBFJESINFL-AWEZNQCLSA-N 1 0 276.424 3.220 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H]2c2nccs2)c1 ZINC000374299455 392676446 /nfs/dbraw/zinc/67/64/46/392676446.db2.gz BNIGOALIFNZQPB-CYBMUJFWSA-N 1 0 274.389 3.494 20 10 CGCDRO CCOc1ccc(O)c(C[N@H+](C)Cc2scnc2C)c1 ZINC000179429269 392700273 /nfs/dbraw/zinc/70/02/73/392700273.db2.gz XVJGOPZSHMURAK-UHFFFAOYSA-N 1 0 292.404 3.188 20 10 CGCDRO COc1ccccc1C[N@H+](C)Cc1cccc(C)c1O ZINC000179559519 392702079 /nfs/dbraw/zinc/70/20/79/392702079.db2.gz QJABIBBXTXWHRA-UHFFFAOYSA-N 1 0 271.360 3.341 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCn3cccc3[C@@H]2C)c1 ZINC000179568242 392704499 /nfs/dbraw/zinc/70/44/99/392704499.db2.gz MZAVVPZUMQHOTP-ZDUSSCGKSA-N 1 0 256.349 3.079 20 10 CGCDRO CCO[C@@H](C[NH2+]Cc1ccccc1O)c1ccccc1 ZINC000194462732 392922667 /nfs/dbraw/zinc/92/26/67/392922667.db2.gz KYRAFZKUGKJDFY-KRWDZBQOSA-N 1 0 271.360 3.260 20 10 CGCDRO CC(C)C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2O)CCO1 ZINC000272698275 393265123 /nfs/dbraw/zinc/26/51/23/393265123.db2.gz YFLSTLULDNSFSZ-LSDHHAIUSA-N 1 0 281.371 3.215 20 10 CGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H](C)c1ccnn1C ZINC000358995812 393532126 /nfs/dbraw/zinc/53/21/26/393532126.db2.gz BQXUTJUYFDGLDZ-ZDUSSCGKSA-N 1 0 282.391 3.071 20 10 CGCDRO CCOc1ccc(N(C)CCCCCCCO)cc1 ZINC000743851060 572689511 /nfs/dbraw/zinc/68/95/11/572689511.db2.gz IEGUJIPTWXBAQB-UHFFFAOYSA-N 1 0 265.397 3.464 20 10 CGCDRO CC(C)CCC[C@@H](C)[NH2+]Cc1ccc(O)c(O)c1 ZINC000020138649 171026418 /nfs/dbraw/zinc/02/64/18/171026418.db2.gz DDLCUXOAAKHHPN-GFCCVEGCSA-N 1 0 251.370 3.402 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccccc1O ZINC000020146048 171031726 /nfs/dbraw/zinc/03/17/26/171031726.db2.gz BCDDFEANPUYCPE-ZDUSSCGKSA-N 1 0 270.376 3.309 20 10 CGCDRO CC[C@H]([NH2+]CCCOC(C)C)c1ccccc1O ZINC000020198163 171061884 /nfs/dbraw/zinc/06/18/84/171061884.db2.gz HDCJTRDZBCTGQT-AWEZNQCLSA-N 1 0 251.370 3.248 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](c2ccco2)N(C)C)c1 ZINC000035628766 172308172 /nfs/dbraw/zinc/30/81/72/172308172.db2.gz ADXDNUCVGBFOOO-ZFWWWQNUSA-N 1 0 288.391 3.247 20 10 CGCDRO C[C@@H]([NH2+]C[C@H](C)N1CCCCC1)c1ccc(N(C)C)cc1 ZINC000038028996 174018697 /nfs/dbraw/zinc/01/86/97/174018697.db2.gz GRNMHGISIIHUTC-JKSUJKDBSA-N 1 0 289.467 3.278 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]CCCc2ccccc2)c1 ZINC000071406364 176156002 /nfs/dbraw/zinc/15/60/02/176156002.db2.gz AEWHXXLAXQKTRQ-UHFFFAOYSA-N 1 0 255.361 3.423 20 10 CGCDRO Cc1c([C@H](C)[NH2+][C@H](C)c2ccc(N(C)C)cc2)cnn1C ZINC000037321764 260088921 /nfs/dbraw/zinc/08/89/21/260088921.db2.gz NUTWPCVPBYDIFK-OLZOCXBDSA-N 1 0 286.423 3.206 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCCOCC2CC2)c1 ZINC000035628926 260030792 /nfs/dbraw/zinc/03/07/92/260030792.db2.gz VKGVMCBKJUKBCS-ZDUSSCGKSA-N 1 0 263.381 3.168 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]CC2(C3CC3)CC2)c1O ZINC000230935314 260195987 /nfs/dbraw/zinc/19/59/87/260195987.db2.gz SZXLMCKQGXYUIW-UHFFFAOYSA-N 1 0 281.783 3.334 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)C1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000160116696 261205066 /nfs/dbraw/zinc/20/50/66/261205066.db2.gz GGPAWYHRWKJJIX-QWHCGFSZSA-N 1 0 292.398 3.111 20 10 CGCDRO C[C@H]([NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000166261002 261386173 /nfs/dbraw/zinc/38/61/73/261386173.db2.gz IFFFBUJLOBKFRR-IJEWVQPXSA-N 1 0 287.451 3.028 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCCC23CCOCC3)cc1 ZINC000314506175 261723871 /nfs/dbraw/zinc/72/38/71/261723871.db2.gz DXDAAFKNBQMYAC-KRWDZBQOSA-N 1 0 288.435 3.192 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1COC2(CCCCC2)O1)c1ccccc1O ZINC000183645114 261983300 /nfs/dbraw/zinc/98/33/00/261983300.db2.gz SUHKERCRGMNWEQ-KBPBESRZSA-N 1 0 291.391 3.119 20 10 CGCDRO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000184985399 262035956 /nfs/dbraw/zinc/03/59/56/262035956.db2.gz DVCXQLKOQYGTIJ-AAEUAGOBSA-N 1 0 279.380 3.030 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1O)c1cc2c(cc1O)CCCC2 ZINC000185445077 262054214 /nfs/dbraw/zinc/05/42/14/262054214.db2.gz MYPKNVGCORWESO-JLZZUVOBSA-N 1 0 289.419 3.225 20 10 CGCDRO Cc1cc(C[C@@H](C)[NH2+][C@H](C)c2cc(Cl)ccc2O)[nH]n1 ZINC000186130654 262080624 /nfs/dbraw/zinc/08/06/24/262080624.db2.gz GTNRFFPTHMLBRC-MWLCHTKSSA-N 1 0 293.798 3.359 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2CC[C@@H](N3CCCC3)[C@@H]2C)cc1C ZINC000288135279 263103602 /nfs/dbraw/zinc/10/36/02/263103602.db2.gz ABQFQFFCYGATTE-DOTOQJQBSA-N 1 0 288.435 3.068 20 10 CGCDRO COc1cc(O)c(C[NH+](C2CCC2)C2CCC2)cc1OC ZINC000292713809 263134156 /nfs/dbraw/zinc/13/41/56/263134156.db2.gz DMIADTPBQNZDDI-UHFFFAOYSA-N 1 0 291.391 3.316 20 10 CGCDRO COc1cc(O)c(C[NH2+]CCC(C)(C)C2CC2)cc1OC ZINC000294176978 263157111 /nfs/dbraw/zinc/15/71/11/263157111.db2.gz WRTIDSCLYHEPJR-UHFFFAOYSA-N 1 0 293.407 3.325 20 10 CGCDRO CCOC1(C[NH2+][C@H](C)c2cc(OC)ccc2O)CCCC1 ZINC000293590331 264958737 /nfs/dbraw/zinc/95/87/37/264958737.db2.gz CSHIHJAUZXVWDK-CYBMUJFWSA-N 1 0 293.407 3.401 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CCCC[C@H](COC)C2)c1O ZINC000368661310 267195027 /nfs/dbraw/zinc/19/50/27/267195027.db2.gz VJRWDOJTKRSBSR-AWEZNQCLSA-N 1 0 293.407 3.039 20 10 CGCDRO COC[C@H]1CCCC[N@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000368666479 267196101 /nfs/dbraw/zinc/19/61/01/267196101.db2.gz MADJKSUMWJFKJR-HNNXBMFYSA-N 1 0 277.408 3.258 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@]3(C2)CCCOC3)cc1C ZINC000376758485 268014216 /nfs/dbraw/zinc/01/42/16/268014216.db2.gz PRLUDSZFHUERGD-QGZVFWFLSA-N 1 0 275.392 3.012 20 10 CGCDRO COC1CCN(c2ccc(C[N@@H+]3CCC[C@@H]3C)cc2)CC1 ZINC000295139433 277194651 /nfs/dbraw/zinc/19/46/51/277194651.db2.gz ZHPBLVGYEOEKQW-HNNXBMFYSA-N 1 0 288.435 3.286 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)Cn1cccn1)c1ccc(N(C)C)cc1 ZINC000271468597 288078964 /nfs/dbraw/zinc/07/89/64/288078964.db2.gz LGMXMMVMMCGKJZ-PBHICJAKSA-N 1 0 286.423 3.079 20 10 CGCDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000290654393 280324999 /nfs/dbraw/zinc/32/49/99/280324999.db2.gz ZFXLLIVCMBVQSG-DGCLKSJQSA-N 1 0 279.380 3.172 20 10 CGCDRO COC(C)(C)C[C@@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000183533090 327820557 /nfs/dbraw/zinc/82/05/57/327820557.db2.gz PFMFYDKBIQWULX-VXGBXAGGSA-N 1 0 251.370 3.246 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](CO)c2ccccc2)c(O)c1 ZINC000185652618 327842331 /nfs/dbraw/zinc/84/23/31/327842331.db2.gz GGTMKWCDXGMLQX-HOCLYGCPSA-N 1 0 285.387 3.127 20 10 CGCDRO C[C@H]([NH2+]CCC(C)(C)O)c1ccc2ccccc2c1O ZINC000274753702 328008813 /nfs/dbraw/zinc/00/88/13/328008813.db2.gz BJYSDFZFJSCRNY-LBPRGKRZSA-N 1 0 273.376 3.357 20 10 CGCDRO CCOCC(C)(C)C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000290154812 328097193 /nfs/dbraw/zinc/09/71/93/328097193.db2.gz CVEBSIZXDLQOSL-GFCCVEGCSA-N 1 0 281.396 3.114 20 10 CGCDRO CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000276889192 328219829 /nfs/dbraw/zinc/21/98/29/328219829.db2.gz HFJQKNPAPPWUTF-NSHDSACASA-N 1 0 286.366 3.051 20 10 CGCDRO CC(C)(C)[C@H](CO)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000278738701 327189577 /nfs/dbraw/zinc/18/95/77/327189577.db2.gz RDDYATDNEXGMCJ-KRWDZBQOSA-N 1 0 290.451 3.174 20 10 CGCDRO C[C@@]1(c2ccccc2)C[N@H+](Cc2ccccc2O)CCO1 ZINC000179574049 329209804 /nfs/dbraw/zinc/20/98/04/329209804.db2.gz FTUQLTGHLTYWLV-SFHVURJKSA-N 1 0 283.371 3.140 20 10 CGCDRO CCSCCC[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000271799643 330082513 /nfs/dbraw/zinc/08/25/13/330082513.db2.gz JYEIIGOSGINKDD-NSHDSACASA-N 1 0 269.410 3.195 20 10 CGCDRO CCn1ncc(C[NH2+][C@H](C)c2ccc3ccccc3c2O)n1 ZINC000527924998 330296395 /nfs/dbraw/zinc/29/63/95/330296395.db2.gz SRHJFWNQUZAEKR-GFCCVEGCSA-N 1 0 296.374 3.008 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1CCN1C1CCCC1)c1cc(F)ccc1O ZINC000528001789 330300237 /nfs/dbraw/zinc/30/02/37/330300237.db2.gz NIUYODAJXAMAFX-WFASDCNBSA-N 1 0 292.398 3.199 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2ncccc2F)c1 ZINC000528036014 330302682 /nfs/dbraw/zinc/30/26/82/330302682.db2.gz NEZLKHYWMHBWGA-QWRGUYRKSA-N 1 0 290.338 3.347 20 10 CGCDRO C[C@H]([NH2+]C[C@@H](O)C(F)(F)F)c1ccc2ccccc2c1O ZINC000230659262 333319720 /nfs/dbraw/zinc/31/97/20/333319720.db2.gz UWYGDNGNMYZJQR-TVQRCGJNSA-N 1 0 299.292 3.119 20 10 CGCDRO CCOc1ccc(C[NH+]2CCC(CCOC)CC2)c(O)c1 ZINC000529637348 333502370 /nfs/dbraw/zinc/50/23/70/333502370.db2.gz FBSDMEGMEHBEEO-UHFFFAOYSA-N 1 0 293.407 3.039 20 10 CGCDRO CC(C)(CCO)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000266166906 519227395 /nfs/dbraw/zinc/22/73/95/519227395.db2.gz PQYPSXRMXLQIGD-UHFFFAOYSA-N 1 0 285.387 3.310 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCO[C@H](C)C2)cc1 ZINC000271514109 520290739 /nfs/dbraw/zinc/29/07/39/520290739.db2.gz NMBJNIZYNGHNOC-YCPHGPKFSA-N 1 0 276.424 3.361 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](O)C(C)(C)C2)cc1 ZINC000276022682 520894382 /nfs/dbraw/zinc/89/43/82/520894382.db2.gz QVFGDHHMCMAUOY-KRWDZBQOSA-N 1 0 290.451 3.126 20 10 CGCDRO CC[N@@H+](Cc1ccc(N(C)C)cc1)C[C@H]1CCSC1 ZINC000279509780 521320268 /nfs/dbraw/zinc/32/02/68/521320268.db2.gz NJKJHJHIPLJITR-OAHLLOKOSA-N 1 0 278.465 3.328 20 10 CGCDRO CCC(O)(CC)CC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000276642869 521652314 /nfs/dbraw/zinc/65/23/14/521652314.db2.gz KXPVPMUQFZSRCR-CQSZACIVSA-N 1 0 278.440 3.344 20 10 CGCDRO CN(C)c1ccc(C[N@H+](CCc2cccnc2)C2CC2)cc1 ZINC000269468816 522171896 /nfs/dbraw/zinc/17/18/96/522171896.db2.gz IUCPQUBTHOLNAV-UHFFFAOYSA-N 1 0 295.430 3.355 20 10 CGCDRO CC[C@H](CO)[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000268733017 522228644 /nfs/dbraw/zinc/22/86/44/522228644.db2.gz UOUDVLGHPNBHNB-DOTOQJQBSA-N 1 0 290.451 3.489 20 10 CGCDRO CC[C@H]([NH2+]CC[S@@](=O)C(C)(C)C)c1ccc(C)cc1O ZINC000280009097 522600318 /nfs/dbraw/zinc/60/03/18/522600318.db2.gz GNTBEFKIXVUYFE-VBKZILBWSA-N 1 0 297.464 3.289 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc2c(c1)OCCO2)c1ccccc1O ZINC000120234452 522652978 /nfs/dbraw/zinc/65/29/78/522652978.db2.gz NRQDOXUKMPZLBU-HNNXBMFYSA-N 1 0 299.370 3.404 20 10 CGCDRO CC[C@H]([NH2+][C@H](CCO)c1ccco1)c1ccc(C)cc1O ZINC000280013039 522747788 /nfs/dbraw/zinc/74/77/88/522747788.db2.gz GVPFCRFORVRTJS-LSDHHAIUSA-N 1 0 289.375 3.458 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H]1CCCOC1)c1ccc(C)cc1O ZINC000280203789 522853810 /nfs/dbraw/zinc/85/38/10/522853810.db2.gz SXWCWFJQDHLJNB-DZGCQCFKSA-N 1 0 263.381 3.168 20 10 CGCDRO CCc1ccc([C@@H](O)C[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000276412735 524032785 /nfs/dbraw/zinc/03/27/85/524032785.db2.gz MQDRJVXEMCBIKP-ACJLOTCBSA-N 1 0 285.387 3.339 20 10 CGCDRO COc1ccc(C[NH2+]CCC2(OC)CCC2)cc1C ZINC000292843960 524069877 /nfs/dbraw/zinc/06/98/77/524069877.db2.gz BHQBUAIVLDHPPX-UHFFFAOYSA-N 1 0 263.381 3.052 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+][C@H]2CC[C@H](CO)CC2)c(O)c1 ZINC000297666327 524331849 /nfs/dbraw/zinc/33/18/49/524331849.db2.gz KURUMWXPZUDYRC-RBSFLKMASA-N 1 0 277.408 3.211 20 10 CGCDRO C[C@H](C[NH2+]Cc1cc(-c2ccccc2)ccc1O)N(C)C ZINC000264406140 524488183 /nfs/dbraw/zinc/48/81/83/524488183.db2.gz XUTMPISNPBJNNW-CQSZACIVSA-N 1 0 284.403 3.099 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCC(F)(F)C2)c1 ZINC000281080594 524773154 /nfs/dbraw/zinc/77/31/54/524773154.db2.gz JGYSDOFJOVKRBI-WDEREUQCSA-N 1 0 285.334 3.487 20 10 CGCDRO C[C@H]([NH2+]C1CCN(C)CC1)c1ccc2ccccc2c1O ZINC000037267149 525292009 /nfs/dbraw/zinc/29/20/09/525292009.db2.gz RLAWYDFZFGIHRH-ZDUSSCGKSA-N 1 0 284.403 3.290 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCCC3(CCOCC3)C2)cc1C ZINC000266112475 525315164 /nfs/dbraw/zinc/31/51/64/525315164.db2.gz TWEUQTXSCOPKID-UHFFFAOYSA-N 1 0 289.419 3.402 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]CC[C@](C)(O)c2ccccc2)c1 ZINC000189830326 525349126 /nfs/dbraw/zinc/34/91/26/525349126.db2.gz ZRJHFKGVTFRFDE-SFHVURJKSA-N 1 0 285.387 3.088 20 10 CGCDRO C[C@@H]([NH2+]C[C@H](C)N(C)C)c1ccc2ccccc2c1O ZINC000038088830 525489671 /nfs/dbraw/zinc/48/96/71/525489671.db2.gz NWRPECRHHCYLAD-QWHCGFSZSA-N 1 0 272.392 3.146 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1cc(F)ccc1O ZINC000134797011 525651657 /nfs/dbraw/zinc/65/16/57/525651657.db2.gz BPRXTPIJUOGEQY-DUUOMRMWSA-N 1 0 291.366 3.140 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCc2nccs2)c(O)c1 ZINC000063133579 525727878 /nfs/dbraw/zinc/72/78/78/525727878.db2.gz AREJUWIIEWQUTE-LLVKDONJSA-N 1 0 262.378 3.050 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCc2nccnc2C)c(O)c1C ZINC000295026466 525728505 /nfs/dbraw/zinc/72/85/05/525728505.db2.gz OBOHPPYXJYNBCL-CYBMUJFWSA-N 1 0 285.391 3.001 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)CN2CCCCC2)c(O)c1 ZINC000037153221 525743615 /nfs/dbraw/zinc/74/36/15/525743615.db2.gz MNDHETCWOOVLDF-HUUCEWRRSA-N 1 0 276.424 3.226 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCc3c2cnn3C)c(O)c1 ZINC000037087189 525745359 /nfs/dbraw/zinc/74/53/59/525745359.db2.gz YGNSRBKQTKKKEC-IUODEOHRSA-N 1 0 285.391 3.162 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H](C)CN2CCCCC2)c(O)c1 ZINC000037153223 525941082 /nfs/dbraw/zinc/94/10/82/525941082.db2.gz MNDHETCWOOVLDF-CABCVRRESA-N 1 0 276.424 3.226 20 10 CGCDRO OCC[C@H](C[NH2+][C@@H]1CCc2cccc(O)c21)c1ccccc1 ZINC000297719129 527566570 /nfs/dbraw/zinc/56/65/70/527566570.db2.gz NBGYPTBHZOBYPJ-IAGOWNOFSA-N 1 0 297.398 3.135 20 10 CGCDRO c1cc2c(cccc2C[NH2+]Cc2ccc3c(c2)CCO3)[nH]1 ZINC000727470442 571749285 /nfs/dbraw/zinc/74/92/85/571749285.db2.gz DBBHBDVEYPBUDS-UHFFFAOYSA-N 1 0 278.355 3.393 20 10 CGCDRO COc1cccc(C[NH2+][C@@H]2CCc3ccc(C)cc32)c1O ZINC000730109482 571948953 /nfs/dbraw/zinc/94/89/53/571948953.db2.gz RYSWBYOFYARZCL-MRXNPFEDSA-N 1 0 283.371 3.486 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CC[C@@H](C)OC)cc1F ZINC000740004266 572428114 /nfs/dbraw/zinc/42/81/14/572428114.db2.gz MFJBCJLATNVEHO-CYBMUJFWSA-N 1 0 282.403 3.187 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](C)Cc2ccco2)c1 ZINC000725844298 572437511 /nfs/dbraw/zinc/43/75/11/572437511.db2.gz SZUGQHDQUSOEFV-LBPRGKRZSA-N 1 0 275.348 3.105 20 10 CGCDRO Cc1nnc(C[N@H+](Cc2ccccc2O)C2CCCC2)o1 ZINC000732205069 572451503 /nfs/dbraw/zinc/45/15/03/572451503.db2.gz ZADNDXWDYVYAQW-UHFFFAOYSA-N 1 0 287.363 3.028 20 10 CGCDRO CN(CC[NH2+]Cc1c(O)cccc1Cl)c1ccccc1 ZINC000733324327 572555020 /nfs/dbraw/zinc/55/50/20/572555020.db2.gz PPAHTFALWHWFFD-UHFFFAOYSA-N 1 0 290.794 3.272 20 10 CGCDRO COc1ccc(C2([NH2+]Cc3cc(C)ccc3O)CC2)cc1 ZINC000733327724 572556373 /nfs/dbraw/zinc/55/63/73/572556373.db2.gz FCNKFEUWLPQKPE-UHFFFAOYSA-N 1 0 283.371 3.488 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)COc2ccccc2)c1 ZINC000733327053 572556465 /nfs/dbraw/zinc/55/64/65/572556465.db2.gz MGJUTIYYIHNAIP-AWEZNQCLSA-N 1 0 271.360 3.258 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2cc(C)c(O)c(C)c2)c1 ZINC000733327285 572556496 /nfs/dbraw/zinc/55/64/96/572556496.db2.gz PERVBUDVQTVHAO-UHFFFAOYSA-N 1 0 271.360 3.313 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)[C@H]1CCOC1 ZINC000742380434 572571132 /nfs/dbraw/zinc/57/11/32/572571132.db2.gz LOLHPHRGRPXHSH-WMZOPIPTSA-N 1 0 288.435 3.192 20 10 CGCDRO CC[C@@H](C[C@H](C)CO)[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC000743499964 572666731 /nfs/dbraw/zinc/66/67/31/572666731.db2.gz RIOPLRPOFQTKHK-RDJZCZTQSA-N 1 0 292.467 3.420 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2cccc(-n3cccn3)c2)c1 ZINC000735321510 572714985 /nfs/dbraw/zinc/71/49/85/572714985.db2.gz TVSPRASWYKIWMS-UHFFFAOYSA-N 1 0 293.370 3.176 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2Cc3ccccc3C3(CC3)C2)c1 ZINC000187678775 617618743 /nfs/dbraw/zinc/61/87/43/617618743.db2.gz CRYABEALWRTEOB-UHFFFAOYSA-N 1 0 295.382 3.448 20 10 CGCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C)[C@@H]2C)c1O ZINC000248882391 617720967 /nfs/dbraw/zinc/72/09/67/617720967.db2.gz PCBPNONWJAXJQQ-ZJUUUORDSA-N 1 0 269.772 3.285 20 10 CGCDRO Cc1cccc(C[NH2+]Cc2ccc(F)c(F)c2)c1O ZINC000083458548 618008324 /nfs/dbraw/zinc/00/83/24/618008324.db2.gz MIBFTDUVXOLJJN-UHFFFAOYSA-N 1 0 263.287 3.269 20 10 CGCDRO CCOC[C@H]1CCCC[N@@H+]1Cc1cccc(OCC)c1O ZINC000313465713 618215059 /nfs/dbraw/zinc/21/50/59/618215059.db2.gz YKAUNZZFMNTLAK-OAHLLOKOSA-N 1 0 293.407 3.182 20 10 CGCDRO CC[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000157454353 618224830 /nfs/dbraw/zinc/22/48/30/618224830.db2.gz QKMWMAORQVELKB-KRWDZBQOSA-N 1 0 288.435 3.288 20 10 CGCDRO COc1ccc(C[N@H+](C)Cc2ccsc2)c(O)c1OC ZINC000891515453 618235207 /nfs/dbraw/zinc/23/52/07/618235207.db2.gz GLEPCMBGRRPHCF-UHFFFAOYSA-N 1 0 293.388 3.103 20 10 CGCDRO CCn1ccc(C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)n1 ZINC000840840417 618246675 /nfs/dbraw/zinc/24/66/75/618246675.db2.gz KCNZOANHHSGRFH-GXFFZTMASA-N 1 0 289.354 3.086 20 10 CGCDRO CCC[N@H+](Cc1cnn(C)c1C1CC1)Cc1ccccc1O ZINC000891853798 618343084 /nfs/dbraw/zinc/34/30/84/618343084.db2.gz SNLKILNMQBSXNJ-UHFFFAOYSA-N 1 0 299.418 3.415 20 10 CGCDRO CC[C@@H]([NH2+]CCOC(C)(C)C)c1ccccc1O ZINC000308741253 618385645 /nfs/dbraw/zinc/38/56/45/618385645.db2.gz OTSZFZBMBPQVJW-CYBMUJFWSA-N 1 0 251.370 3.248 20 10 CGCDRO CCOc1cccc(C[NH2+]CCOC(C)(C)CC)c1O ZINC000308758397 618396248 /nfs/dbraw/zinc/39/62/48/618396248.db2.gz XAQJJWVTHLOING-UHFFFAOYSA-N 1 0 281.396 3.086 20 10 CGCDRO CC[C@@]1(C)CC[N@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000892146559 618556724 /nfs/dbraw/zinc/55/67/24/618556724.db2.gz PACVFSOUBPCMLH-INIZCTEOSA-N 1 0 279.380 3.031 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2cccc(C)n2)c1 ZINC000051575086 618610806 /nfs/dbraw/zinc/61/08/06/618610806.db2.gz QYNNOLTVXQSULQ-ZDUSSCGKSA-N 1 0 256.349 3.255 20 10 CGCDRO CCC[C@H](C)[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000782191353 618737425 /nfs/dbraw/zinc/73/74/25/618737425.db2.gz POHIZIFUDVGIGK-ZDUSSCGKSA-N 1 0 280.387 3.145 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](C)N2CCC[C@H](C)C2)c1 ZINC000185023883 625290882 /nfs/dbraw/zinc/29/08/82/625290882.db2.gz HZWCGNMWOZDJBS-XHSDSOJGSA-N 1 0 290.451 3.472 20 10 CGCDRO C[C@H]([NH2+]Cc1cc(F)ccc1O)c1ccsc1 ZINC000235507029 618804968 /nfs/dbraw/zinc/80/49/68/618804968.db2.gz BBFJDFXXXNRJKC-VIFPVBQESA-N 1 0 251.326 3.444 20 10 CGCDRO COC[C@H]([NH2+][C@@H](C)Cc1ccc(N(C)C)cc1C)C1CC1 ZINC000840892550 618926018 /nfs/dbraw/zinc/92/60/18/618926018.db2.gz ATDHRMNILGYCJI-KSSFIOAISA-N 1 0 290.451 3.007 20 10 CGCDRO CC(C)C[C@H](CO)[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000185114217 625304388 /nfs/dbraw/zinc/30/43/88/625304388.db2.gz UCLKJKLEVGNJMC-CZUORRHYSA-N 1 0 291.435 3.329 20 10 CGCDRO COc1ccc(C[NH2+]CC2(C3CC3)CCC2)c(O)c1OC ZINC000893185636 619021152 /nfs/dbraw/zinc/02/11/52/619021152.db2.gz ZAUGGQILHPTRAN-UHFFFAOYSA-N 1 0 291.391 3.079 20 10 CGCDRO CCOc1cccc(C[NH2+]CCCCCSC)c1O ZINC000185166462 625315735 /nfs/dbraw/zinc/31/57/35/625315735.db2.gz LLHAAZVLNJIJOH-UHFFFAOYSA-N 1 0 283.437 3.414 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CCSCC[C@@H]2C)c1 ZINC000191817918 619113451 /nfs/dbraw/zinc/11/34/51/619113451.db2.gz KYRLAKALEZLVQO-LBPRGKRZSA-N 1 0 281.421 3.118 20 10 CGCDRO CCOc1ncccc1C[NH2+][C@H](CC)c1ccccc1O ZINC000185208266 625318918 /nfs/dbraw/zinc/31/89/18/625318918.db2.gz BFTGLLQZDRYQCT-OAHLLOKOSA-N 1 0 286.375 3.427 20 10 CGCDRO Oc1ccc2ccccc2c1C[N@@H+]1CCO[C@@H](C(F)F)C1 ZINC000193440322 619129041 /nfs/dbraw/zinc/12/90/41/619129041.db2.gz NIOFZYADDMQHAM-OAHLLOKOSA-N 1 0 293.313 3.011 20 10 CGCDRO CCCN(Cc1c(C)noc1C)c1ccc(C[NH3+])cc1 ZINC000194979510 619144878 /nfs/dbraw/zinc/14/48/78/619144878.db2.gz IULPOZNIHCRPDK-UHFFFAOYSA-N 1 0 273.380 3.167 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2COCC2(C)C)cc1 ZINC000313015839 619161611 /nfs/dbraw/zinc/16/16/11/619161611.db2.gz GMEBRVGQHGMGLG-MRXNPFEDSA-N 1 0 276.424 3.047 20 10 CGCDRO C[C@H]([NH2+]CCOCC1CCCC1)c1ccccc1O ZINC000313268738 619165870 /nfs/dbraw/zinc/16/58/70/619165870.db2.gz WVXMIEFUNHFKQU-ZDUSSCGKSA-N 1 0 263.381 3.250 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2cc(N)ccn2)c1O ZINC000925769226 619229637 /nfs/dbraw/zinc/22/96/37/619229637.db2.gz ZJRJDHUQVXSSJO-JTQLQIEISA-N 1 0 291.782 3.182 20 10 CGCDRO CC1CCC(C[NH2+]Cc2cc3c(cc2O)OCO3)CC1 ZINC000060942162 619280040 /nfs/dbraw/zinc/28/00/40/619280040.db2.gz ZRXLBCJCDDMHGE-UHFFFAOYSA-N 1 0 277.364 3.037 20 10 CGCDRO C[C@@H]1C[C@@H](C[NH2+]Cc2ccc3ccccc3c2O)[C@H](C)O1 ZINC000840962745 619282465 /nfs/dbraw/zinc/28/24/65/619282465.db2.gz FABRLUXTQBMDIA-WWGRRREGSA-N 1 0 285.387 3.449 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](C)N(CC)CC)cc1 ZINC000236869686 619306744 /nfs/dbraw/zinc/30/67/44/619306744.db2.gz NYUORHKHSJLUGR-MRXNPFEDSA-N 1 0 291.483 3.353 20 10 CGCDRO CCCN(Cc1ccc(OC)o1)c1ccc(C[NH3+])cc1 ZINC000894045900 619358226 /nfs/dbraw/zinc/35/82/26/619358226.db2.gz IYNOJLDMONPVJD-UHFFFAOYSA-N 1 0 274.364 3.164 20 10 CGCDRO CCCN(Cc1c(C)noc1CC)c1ccc(C[NH3+])cc1 ZINC000894047331 619358535 /nfs/dbraw/zinc/35/85/35/619358535.db2.gz SPPSIHXKIYNVTR-UHFFFAOYSA-N 1 0 287.407 3.421 20 10 CGCDRO COc1ccc2ccc(O)c(C[N@H+](C)CC3CC3)c2c1 ZINC000047252616 619386718 /nfs/dbraw/zinc/38/67/18/619386718.db2.gz BAYFRZOJVWXSOK-UHFFFAOYSA-N 1 0 271.360 3.396 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)C2CCCCC2)c(O)c1 ZINC000185328213 625344276 /nfs/dbraw/zinc/34/42/76/625344276.db2.gz DMYJOYDUGCQWCN-CXAGYDPISA-N 1 0 277.408 3.292 20 10 CGCDRO COc1cc(C)cc(C[NH2+]C[C@@H]2CCCCS2)c1O ZINC000894441555 619533273 /nfs/dbraw/zinc/53/32/73/619533273.db2.gz BWTSKNMVVQSZKW-ZDUSSCGKSA-N 1 0 281.421 3.085 20 10 CGCDRO COc1cc(C)cc(C[N@H+](C)[C@H](C)c2cccnc2)c1O ZINC000894449520 619538721 /nfs/dbraw/zinc/53/87/21/619538721.db2.gz SYZQCWVFTWQMKD-CYBMUJFWSA-N 1 0 286.375 3.297 20 10 CGCDRO Cc1nc(C)c(CC[NH2+][C@@H](C)c2cc(F)ccc2O)s1 ZINC000185403277 625356579 /nfs/dbraw/zinc/35/65/79/625356579.db2.gz MLDVDYOSRAZURC-VIFPVBQESA-N 1 0 294.395 3.498 20 10 CGCDRO Cc1cccc2nc(C[NH2+][C@H](C)c3ccc(F)cc3[O-])cn21 ZINC000185412434 625356949 /nfs/dbraw/zinc/35/69/49/625356949.db2.gz DUJMFIXQTFPRGG-GFCCVEGCSA-N 1 0 299.349 3.338 20 10 CGCDRO COc1ccc(C[NH2+]Cc2cccc3c2NCCC3)c(O)c1 ZINC000894633870 619593149 /nfs/dbraw/zinc/59/31/49/619593149.db2.gz CVKJVYUHIZTCNJ-UHFFFAOYSA-N 1 0 298.386 3.049 20 10 CGCDRO COc1cc(C)cc(C[N@H+](Cc2ccccn2)C2CC2)c1O ZINC000894779279 619632709 /nfs/dbraw/zinc/63/27/09/619632709.db2.gz FLWLPUMJCXJTPR-UHFFFAOYSA-N 1 0 298.386 3.269 20 10 CGCDRO COc1ccc(C[NH2+][C@@]2(C)CCCC[C@H]2C)c(O)c1OC ZINC000894811407 619641738 /nfs/dbraw/zinc/64/17/38/619641738.db2.gz UPKBNIALOBMHLI-PXAZEXFGSA-N 1 0 293.407 3.468 20 10 CGCDRO CCCC[C@H](COC)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000185494778 625363906 /nfs/dbraw/zinc/36/39/06/625363906.db2.gz HRQFJCSBBJGLQI-DGCLKSJQSA-N 1 0 269.360 3.387 20 10 CGCDRO COc1cc(C)cc(C[NH2+]C[C@@H]2C(C)(C)C2(F)F)c1O ZINC000895328720 619805776 /nfs/dbraw/zinc/80/57/76/619805776.db2.gz YCLOWWINCIZLCE-GFCCVEGCSA-N 1 0 285.334 3.090 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CC2CSC2)cc1F ZINC000895421339 619827125 /nfs/dbraw/zinc/82/71/25/619827125.db2.gz HCZJTFJRLGOVHU-UHFFFAOYSA-N 1 0 282.428 3.125 20 10 CGCDRO COc1cc(C)cc(C[NH2+]CC[C@@H]2CCCS2)c1O ZINC000895447441 619831330 /nfs/dbraw/zinc/83/13/30/619831330.db2.gz LYVCVBHBYWFEMQ-ZDUSSCGKSA-N 1 0 281.421 3.085 20 10 CGCDRO Cc1nn(C(C)C)c(C)c1C[NH2+]Cc1cc(C)ccc1O ZINC000895583261 619853622 /nfs/dbraw/zinc/85/36/22/619853622.db2.gz XUIJOBBRIUIEPU-UHFFFAOYSA-N 1 0 287.407 3.385 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]Cc1nccc2c1CCCC2 ZINC000896282764 619986934 /nfs/dbraw/zinc/98/69/34/619986934.db2.gz VODFORRVFOLYRB-UHFFFAOYSA-N 1 0 286.350 3.095 20 10 CGCDRO Oc1c(C[NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)ccc2ccccc21 ZINC000896851155 620076446 /nfs/dbraw/zinc/07/64/46/620076446.db2.gz QPGSCVKCDWCDEH-UAGQMJEPSA-N 1 0 295.382 3.226 20 10 CGCDRO Cc1cccc(C[NH2+][C@H]2CCCc3cccnc32)c1O ZINC000897075389 620132502 /nfs/dbraw/zinc/13/25/02/620132502.db2.gz NGLPUMILMRORRQ-HNNXBMFYSA-N 1 0 268.360 3.263 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000797904952 620238373 /nfs/dbraw/zinc/23/83/73/620238373.db2.gz SMLTVKXWVVJFMT-OLZOCXBDSA-N 1 0 251.757 3.324 20 10 CGCDRO COC[C@@H](C)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000179195550 620372261 /nfs/dbraw/zinc/37/22/61/620372261.db2.gz KZOCNOZLNFPWSQ-OAHLLOKOSA-N 1 0 276.424 3.144 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](CC(C)C)OC)c1ccccc1O ZINC000841755893 620400299 /nfs/dbraw/zinc/40/02/99/620400299.db2.gz NFPMUSCUZPRPNA-HIFRSBDPSA-N 1 0 265.397 3.494 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1O)[C@@H](O)C(C)C ZINC000841756273 620402652 /nfs/dbraw/zinc/40/26/52/620402652.db2.gz SLFCTSCRXXNXOI-XEGUGMAKSA-N 1 0 285.815 3.492 20 10 CGCDRO Cc1cc(C[NH2+]CCc2ccc(N)cc2)c(C)s1 ZINC000841036016 620422468 /nfs/dbraw/zinc/42/24/68/620422468.db2.gz RTJKNQIRURGQTB-UHFFFAOYSA-N 1 0 260.406 3.279 20 10 CGCDRO Cc1cccc(C[NH2+][C@H]2CCSC(C)(C)C2)c1O ZINC000897797604 620433421 /nfs/dbraw/zinc/43/34/21/620433421.db2.gz JKZUYFAWFTWHLW-ZDUSSCGKSA-N 1 0 265.422 3.464 20 10 CGCDRO CCCCC1([NH2+]Cc2ccc(OC)c(OC)c2O)CC1 ZINC000897934359 620449342 /nfs/dbraw/zinc/44/93/42/620449342.db2.gz IHWZXNWQEPFEMA-UHFFFAOYSA-N 1 0 279.380 3.222 20 10 CGCDRO C[C@@H](Cc1cccnc1)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000897969962 620450759 /nfs/dbraw/zinc/45/07/59/620450759.db2.gz PNBKJUOPWDPLBN-ZDUSSCGKSA-N 1 0 287.382 3.008 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H](Cc2nccs2)C1 ZINC000898067852 620474826 /nfs/dbraw/zinc/47/48/26/620474826.db2.gz IGFWFLMKCHOZRO-CYBMUJFWSA-N 1 0 288.416 3.222 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+][C@H](c1ccncc1)C1CC1 ZINC000898322303 620506139 /nfs/dbraw/zinc/50/61/39/620506139.db2.gz JEGPTYLQMFUKLG-INIZCTEOSA-N 1 0 272.323 3.167 20 10 CGCDRO C[C@@H]1CC[C@H]([NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000841046022 620543994 /nfs/dbraw/zinc/54/39/94/620543994.db2.gz UOASHSWSAAUUNE-DTDBQYNISA-N 1 0 289.467 3.167 20 10 CGCDRO CC[C@H]([NH2+]Cc1cc(C2CC2)n(C)n1)c1ccccc1O ZINC000927109636 620577444 /nfs/dbraw/zinc/57/74/44/620577444.db2.gz UPDRRMGYFAZDOV-HNNXBMFYSA-N 1 0 285.391 3.244 20 10 CGCDRO COc1ccc(N2CCC([NH2+]C/C=C\Cl)CC2)cc1 ZINC000898431907 620587230 /nfs/dbraw/zinc/58/72/30/620587230.db2.gz CXVKZBBZEWLFFR-MBXJOHMKSA-N 1 0 280.799 3.006 20 10 CGCDRO CCc1onc(C)c1C[NH2+][C@@H](CC)c1ccccc1O ZINC000927139667 620599616 /nfs/dbraw/zinc/59/96/16/620599616.db2.gz NQVFZJLWLOADJH-AWEZNQCLSA-N 1 0 274.364 3.492 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccc3c(c2)ncn3C)c1 ZINC000903204729 621626142 /nfs/dbraw/zinc/62/61/42/621626142.db2.gz VLDDZXRPTRJCEQ-ZDUSSCGKSA-N 1 0 295.386 3.438 20 10 CGCDRO C[C@@H]([NH2+]CC1(C2(O)CCC2)CC1)c1cc(Cl)ccc1O ZINC000903258159 621645535 /nfs/dbraw/zinc/64/55/35/621645535.db2.gz QTYMXSJFIAAYBR-LLVKDONJSA-N 1 0 295.810 3.391 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1CCN1C)c1ccc(N2CCCCC2)cc1 ZINC000903322532 621676217 /nfs/dbraw/zinc/67/62/17/621676217.db2.gz ITWVTBYULGIJLH-CRAIPNDOSA-N 1 0 287.451 3.032 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc2nonc2c1)c1ccc(C)cc1O ZINC000903324152 621678299 /nfs/dbraw/zinc/67/82/99/621678299.db2.gz HNSWQJUDYQMRCB-AWEZNQCLSA-N 1 0 297.358 3.478 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1cncs1)c1cc(F)ccc1O ZINC000903311081 621683632 /nfs/dbraw/zinc/68/36/32/621683632.db2.gz MXCJLJNUDRHSCC-BDAKNGLRSA-N 1 0 266.341 3.400 20 10 CGCDRO CCOc1ccc(O)c(C[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000768138510 625527367 /nfs/dbraw/zinc/52/73/67/625527367.db2.gz YCIPIZFQLMHNOL-BETUJISGSA-N 1 0 263.381 3.269 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1COc2ccccc2C1)c1ccc(N(C)C)cc1 ZINC000164308414 622828091 /nfs/dbraw/zinc/82/80/91/622828091.db2.gz FHKXMHWYVFHKNC-PBHICJAKSA-N 1 0 296.414 3.407 20 10 CGCDRO C[C@H]([NH2+][C@@H]1COc2ccccc2C1)c1ccc(N(C)C)cc1 ZINC000164308289 622828516 /nfs/dbraw/zinc/82/85/16/622828516.db2.gz FHKXMHWYVFHKNC-YOEHRIQHSA-N 1 0 296.414 3.407 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)[C@H](O)Cc1ccccc1)c1ccccc1O ZINC000156831491 622847730 /nfs/dbraw/zinc/84/77/30/622847730.db2.gz JMLBQZLXSUUFAS-DKSSEZFCSA-N 1 0 299.414 3.425 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@H](O)CC(C)C)cc1 ZINC000224268647 622872695 /nfs/dbraw/zinc/87/26/95/622872695.db2.gz PUSNIJZXIDNJCU-QGZVFWFLSA-N 1 0 278.440 3.029 20 10 CGCDRO CC[N@H+](Cc1ccccc1)Cc1cc2c(cc1O)OCO2 ZINC000058591012 622937003 /nfs/dbraw/zinc/93/70/03/622937003.db2.gz RUWFDGMPZZHYGK-UHFFFAOYSA-N 1 0 285.343 3.143 20 10 CGCDRO C[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cc(F)ccc1O ZINC000226586466 622985628 /nfs/dbraw/zinc/98/56/28/622985628.db2.gz AQKJSTUCCUUWNZ-VXGBXAGGSA-N 1 0 251.345 3.447 20 10 CGCDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000158007344 622992902 /nfs/dbraw/zinc/99/29/02/622992902.db2.gz SFEIHMVAWUSLDP-HZPDHXFCSA-N 1 0 288.435 3.001 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CC2(O)CCCCCC2)c(O)c1 ZINC000087088864 623021762 /nfs/dbraw/zinc/02/17/62/623021762.db2.gz GULQBFBPXCVCOF-CQSZACIVSA-N 1 0 277.408 3.437 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2CCOC(C)(C)C2)cc1C ZINC000228084322 623040573 /nfs/dbraw/zinc/04/05/73/623040573.db2.gz XJPAWNPGYRGMTI-AWEZNQCLSA-N 1 0 263.381 3.051 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2cc(Cl)ccc2O)cn1 ZINC000060942077 623082579 /nfs/dbraw/zinc/08/25/79/623082579.db2.gz SCJJLCZHIOFNBH-UHFFFAOYSA-N 1 0 262.740 3.039 20 10 CGCDRO COc1cccc(C[N@H+](C)Cc2ccc(N(C)C)cc2)c1 ZINC000171110442 623131735 /nfs/dbraw/zinc/13/17/35/623131735.db2.gz RPKKTCWQFPSKLR-UHFFFAOYSA-N 1 0 284.403 3.393 20 10 CGCDRO CS[C@H]1CC[C@H]([NH2+]Cc2cc(C)ccc2O)C1 ZINC000230699561 623263233 /nfs/dbraw/zinc/26/32/33/623263233.db2.gz QUZHRFPCIWHUPL-STQMWFEESA-N 1 0 251.395 3.074 20 10 CGCDRO CS[C@@H]1CC[C@@H]([NH2+]Cc2cc(C)ccc2O)C1 ZINC000230699546 623263537 /nfs/dbraw/zinc/26/35/37/623263537.db2.gz QUZHRFPCIWHUPL-CHWSQXEVSA-N 1 0 251.395 3.074 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)[C@@H]1c1ccccc1 ZINC000173454938 623327000 /nfs/dbraw/zinc/32/70/00/623327000.db2.gz KZPZRWUVTRAEIZ-XIKOKIGWSA-N 1 0 297.354 3.314 20 10 CGCDRO CCOc1cccc(C[NH2+][C@H](C)CC(F)(F)F)c1O ZINC000231751264 623339169 /nfs/dbraw/zinc/33/91/69/623339169.db2.gz JODAYABFYNUXKT-SECBINFHSA-N 1 0 277.286 3.221 20 10 CGCDRO CC(C)CCOCC[NH2+]Cc1c(O)cccc1Cl ZINC000083552282 625648212 /nfs/dbraw/zinc/64/82/12/625648212.db2.gz MYGVHRIBGLDXSM-UHFFFAOYSA-N 1 0 271.788 3.198 20 10 CGCDRO C[C@H](CCO)[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000151906478 623583170 /nfs/dbraw/zinc/58/31/70/623583170.db2.gz NGDMMQYRDNVWEH-HUUCEWRRSA-N 1 0 276.424 3.098 20 10 CGCDRO c1cc2c(cc1C[NH2+]CCOC1CCCC1)CCCO2 ZINC000921607823 625694957 /nfs/dbraw/zinc/69/49/57/625694957.db2.gz BUSYDMUIWMJEGX-UHFFFAOYSA-N 1 0 275.392 3.060 20 10 CGCDRO CCC[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)C1CCC1 ZINC000324722341 624314480 /nfs/dbraw/zinc/31/44/80/624314480.db2.gz YOOYTSCWMJVZDD-CYBMUJFWSA-N 1 0 277.364 3.179 20 10 CGCDRO CO[C@@H](C[NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(C)(C)C ZINC000154923283 624393386 /nfs/dbraw/zinc/39/33/86/624393386.db2.gz IIOARTUFGGKGGM-BBRMVZONSA-N 1 0 278.440 3.464 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCn3cccc3[C@H]2C)cc1C ZINC000179565549 624665642 /nfs/dbraw/zinc/66/56/42/624665642.db2.gz PKHDUZIXKRLQJH-CQSZACIVSA-N 1 0 270.376 3.387 20 10 CGCDRO Oc1ccc(Cl)cc1CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000179644282 624672650 /nfs/dbraw/zinc/67/26/50/624672650.db2.gz JMQWNDONPDVUCO-OAHLLOKOSA-N 1 0 294.826 3.106 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCc3sccc3C2)c1 ZINC000179888100 624694782 /nfs/dbraw/zinc/69/47/82/624694782.db2.gz NQZHSDCFSRNCNE-UHFFFAOYSA-N 1 0 259.374 3.320 20 10 CGCDRO C[N@H+](Cc1ccc(F)cc1)Cc1cc(F)ccc1O ZINC000179885195 624694824 /nfs/dbraw/zinc/69/48/24/624694824.db2.gz JLPINBSPENISCF-UHFFFAOYSA-N 1 0 263.287 3.302 20 10 CGCDRO Cc1cccc(C[N@H+]2CCS[C@H](C)[C@@H]2C)c1O ZINC000180311297 624735083 /nfs/dbraw/zinc/73/50/83/624735083.db2.gz XSYPGTBBTAPVIF-NWDGAFQWSA-N 1 0 251.395 3.026 20 10 CGCDRO COCC[N@H+](C)Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000068960500 624773236 /nfs/dbraw/zinc/77/32/36/624773236.db2.gz LEFCHSDTYSCHIO-UHFFFAOYSA-N 1 0 289.375 3.095 20 10 CGCDRO C[C@H](C[C@@H](O)c1ccco1)[NH2+][C@@H](C)c1ccccc1O ZINC000183587562 625094353 /nfs/dbraw/zinc/09/43/53/625094353.db2.gz NXGGPMJHJZWOSR-TYNCELHUSA-N 1 0 275.348 3.148 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1CCCO1)c1ccc2ccccc2c1O ZINC000019963532 634441465 /nfs/dbraw/zinc/44/14/65/634441465.db2.gz IATSAEKYGZDSDR-OCCSQVGLSA-N 1 0 271.360 3.375 20 10 CGCDRO C[C@H](O)[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1ccccc1 ZINC000922267935 625992017 /nfs/dbraw/zinc/99/20/17/625992017.db2.gz QLFFYONGSSLVLG-LIRRHRJNSA-N 1 0 297.398 3.223 20 10 CGCDRO CO[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2O)C12CCC2 ZINC000922329587 625998372 /nfs/dbraw/zinc/99/83/72/625998372.db2.gz NXZLVXUJDDOWCQ-DFBGVHRSSA-N 1 0 261.365 3.000 20 10 CGCDRO c1cc(C[NH2+]C[C@H]2CCCC3(CCC3)O2)cc2c1OCC2 ZINC000922812542 626047945 /nfs/dbraw/zinc/04/79/45/626047945.db2.gz NUYPCWBBYLRRHH-MRXNPFEDSA-N 1 0 287.403 3.203 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H](C2CC2)[C@@H]2CCCOC2)cc1C ZINC000922894716 626091169 /nfs/dbraw/zinc/09/11/69/626091169.db2.gz BQMPANPYUIECEY-CRAIPNDOSA-N 1 0 289.419 3.304 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]C1([C@@H]2CCCCO2)CC1 ZINC000923028089 626119794 /nfs/dbraw/zinc/11/97/94/626119794.db2.gz TXDIIKSCVQIXFH-AWEZNQCLSA-N 1 0 281.783 3.237 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)Cc2cnc(C3CC3)nc2)cc1 ZINC000838780733 626252308 /nfs/dbraw/zinc/25/23/08/626252308.db2.gz BTVKLPSGDBXDRD-UHFFFAOYSA-N 1 0 296.418 3.052 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc2c(n1)CCC2)c1ccc(N(C)C)cc1 ZINC000839016082 626298824 /nfs/dbraw/zinc/29/88/24/626298824.db2.gz WNTWJYGYFWUFNJ-CQSZACIVSA-N 1 0 295.430 3.487 20 10 CGCDRO CCOc1ccc(C[NH+]2CC(C3CCCC3)C2)c(O)c1 ZINC000839142327 626323133 /nfs/dbraw/zinc/32/31/33/626323133.db2.gz HSGAVCGDRXYBBA-UHFFFAOYSA-N 1 0 275.392 3.413 20 10 CGCDRO CCOc1cccc(C[N@H+](C)C2CC(C)(C)C2)c1O ZINC000839184926 626327414 /nfs/dbraw/zinc/32/74/14/626327414.db2.gz NNCDNOFCWKPCFS-UHFFFAOYSA-N 1 0 263.381 3.411 20 10 CGCDRO Cc1ccc(N2CC[NH+](Cc3cc(C)ccc3O)CC2)cc1 ZINC000753585034 626456943 /nfs/dbraw/zinc/45/69/43/626456943.db2.gz DZLMKOXUUHQERD-UHFFFAOYSA-N 1 0 296.414 3.331 20 10 CGCDRO CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)cc2)CS1 ZINC000754124805 626559446 /nfs/dbraw/zinc/55/94/46/626559446.db2.gz CNLRFLRQAHFDKI-HOCLYGCPSA-N 1 0 278.465 3.372 20 10 CGCDRO CCC1CCC([N@H+](CCO)Cc2cc(F)ccc2O)CC1 ZINC000754154861 626561157 /nfs/dbraw/zinc/56/11/57/626561157.db2.gz RUQBUYJCTRXEKB-UHFFFAOYSA-N 1 0 295.398 3.294 20 10 CGCDRO COc1cc(C)cc(C[N@H+]([C@H](C)C2CC2)C2CC2)c1O ZINC000754726042 626585105 /nfs/dbraw/zinc/58/51/05/626585105.db2.gz MAZYFUZSNKOHQM-GFCCVEGCSA-N 1 0 275.392 3.472 20 10 CGCDRO COc1cc(C)cc(C[N@H+](C)[C@@H](C)C2(C)CC2)c1O ZINC000754738938 626585868 /nfs/dbraw/zinc/58/58/68/626585868.db2.gz IKKLYFRZXJKSLL-LBPRGKRZSA-N 1 0 263.381 3.330 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)c1 ZINC000754739616 626585874 /nfs/dbraw/zinc/58/58/74/626585874.db2.gz FZAKXMFXSPYRTK-HOTGVXAUSA-N 1 0 289.419 3.258 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)[C@@H](C)CCOC)cc1 ZINC000755893413 626656868 /nfs/dbraw/zinc/65/68/68/626656868.db2.gz SNTXVHXVRPSUDC-HNNXBMFYSA-N 1 0 278.440 3.390 20 10 CGCDRO C[C@H]1C[C@@H]([NH2+]Cc2ccco2)c2c1c(F)ccc2O ZINC000756344172 626693949 /nfs/dbraw/zinc/69/39/49/626693949.db2.gz RNJUWFPLGHIJFL-JOYOIKCWSA-N 1 0 261.296 3.462 20 10 CGCDRO C[C@H]1C[C@H]([NH2+]CCN2CCCCC2)c2c1c(F)ccc2O ZINC000756397174 626700777 /nfs/dbraw/zinc/70/07/77/626700777.db2.gz ORBZKOLLWAVEFW-JSGCOSHPSA-N 1 0 292.398 3.155 20 10 CGCDRO C[C@H]([NH2+]C[C@@H](C1CC1)N(C)C)c1cc(Cl)ccc1O ZINC000756434824 626705508 /nfs/dbraw/zinc/70/55/08/626705508.db2.gz ZWSMAQQXWWIHQP-HZMBPMFUSA-N 1 0 282.815 3.036 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCN2Cc3ccccc3C2)c1 ZINC000756477516 626708088 /nfs/dbraw/zinc/70/80/88/626708088.db2.gz AQFBWRIUPOMJNY-OAHLLOKOSA-N 1 0 296.414 3.367 20 10 CGCDRO CCN(CC[NH2+][C@@H](C)c1cc(Cl)ccc1O)C(C)C ZINC000756526164 626711976 /nfs/dbraw/zinc/71/19/76/626711976.db2.gz SRMDXXRQRFNATF-LBPRGKRZSA-N 1 0 284.831 3.427 20 10 CGCDRO CC[C@@H](C)N(C)CC[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000756536650 626713182 /nfs/dbraw/zinc/71/31/82/626713182.db2.gz SFUNEGOAEQOKGC-UKRRQHHQSA-N 1 0 278.440 3.390 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)Cc1ccncc1)c1cc(F)ccc1O ZINC000756636193 626722570 /nfs/dbraw/zinc/72/25/70/626722570.db2.gz VLWWJEJKZDVUGF-NWDGAFQWSA-N 1 0 274.339 3.208 20 10 CGCDRO Cc1noc(C)c1CCC[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000756639778 626723473 /nfs/dbraw/zinc/72/34/73/626723473.db2.gz DTMQOJGGOOJMTD-JTQLQIEISA-N 1 0 292.354 3.420 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]C2CCC(C)(O)CC2)c2c1c(F)ccc2O ZINC000756637139 626723523 /nfs/dbraw/zinc/72/35/23/626723523.db2.gz ZRUXUDLBPBFEBI-IRRSPDAISA-N 1 0 293.382 3.363 20 10 CGCDRO COC(C)(C)C[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756647376 626724209 /nfs/dbraw/zinc/72/42/09/626724209.db2.gz TVIPBMMEYLHUIN-ONGXEEELSA-N 1 0 267.344 3.094 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCSC2)c(O)c1C ZINC000756732948 626728187 /nfs/dbraw/zinc/72/81/87/626728187.db2.gz NZQUWNIAYOONHY-RYUDHWBXSA-N 1 0 251.395 3.165 20 10 CGCDRO C[C@H]([NH2+][C@H](CCO)C1CC1)c1cc2c(cc1O)CCCC2 ZINC000756741237 626729443 /nfs/dbraw/zinc/72/94/43/626729443.db2.gz WIEAAOUZAYVDNN-YVEFUNNKSA-N 1 0 289.419 3.083 20 10 CGCDRO C[C@H]([NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F)c1cn[nH]c1 ZINC000756774888 626731334 /nfs/dbraw/zinc/73/13/34/626731334.db2.gz DRRYZDZJVHSDFZ-VDDIYKPWSA-N 1 0 275.327 3.154 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2ccc[nH]2)c1 ZINC000756786196 626731798 /nfs/dbraw/zinc/73/17/98/626731798.db2.gz YQIIKZCAJWGFKW-GHMZBOCLSA-N 1 0 260.337 3.141 20 10 CGCDRO CCCC[N@H+](CCC1(O)CCC1)Cc1ccccc1O ZINC000839592876 626763967 /nfs/dbraw/zinc/76/39/67/626763967.db2.gz DRPOTKWGUSSBEK-UHFFFAOYSA-N 1 0 277.408 3.299 20 10 CGCDRO C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cc(F)cc(F)c1[O-] ZINC000757639619 626796492 /nfs/dbraw/zinc/79/64/92/626796492.db2.gz SNIVNOGNEOMZQB-NSHDSACASA-N 1 0 298.377 3.053 20 10 CGCDRO C[C@@H]([NH2+]CC[C@H]1CCOC1)c1cc2c(cc1O)CCCC2 ZINC000757657657 626798122 /nfs/dbraw/zinc/79/81/22/626798122.db2.gz MPMJHLYXNGDHST-KGLIPLIRSA-N 1 0 289.419 3.348 20 10 CGCDRO CCOc1ccc(C[N@H+](C)[C@H](C)c2ccccn2)c(O)c1 ZINC000757876282 626812022 /nfs/dbraw/zinc/81/20/22/626812022.db2.gz PZUOOIPDRWKRQJ-CYBMUJFWSA-N 1 0 286.375 3.379 20 10 CGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2C2CC2)c1O ZINC000761194244 627023825 /nfs/dbraw/zinc/02/38/25/627023825.db2.gz SBGFSDNDVUGZLG-ZDUSSCGKSA-N 1 0 281.783 3.429 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](C)C(C)(C)C2)c1 ZINC000761226271 627026803 /nfs/dbraw/zinc/02/68/03/627026803.db2.gz NZNIURJGSRIDMP-LBPRGKRZSA-N 1 0 263.381 3.269 20 10 CGCDRO CC[C@H](CC(F)(F)F)[NH2+]Cc1cc(F)ccc1O ZINC000761230452 627027991 /nfs/dbraw/zinc/02/79/91/627027991.db2.gz ZRCMKTBCOCGNGE-SNVBAGLBSA-N 1 0 265.250 3.352 20 10 CGCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](C3CC3)C1)CCC2 ZINC000763332447 627152205 /nfs/dbraw/zinc/15/22/05/627152205.db2.gz MELJDABGIXAIBH-OAHLLOKOSA-N 1 0 257.377 3.113 20 10 CGCDRO C[N@H+](Cc1ccc(N2CCCCC2)cc1)[C@H]1CCCOC1 ZINC000764140906 627196747 /nfs/dbraw/zinc/19/67/47/627196747.db2.gz QWNRZFUHJPXYCN-SFHVURJKSA-N 1 0 288.435 3.288 20 10 CGCDRO CCN1CCCC[C@@H]1C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000765902922 627277899 /nfs/dbraw/zinc/27/78/99/627277899.db2.gz GJPGFPMNSDXPIL-MAUKXSAKSA-N 1 0 289.467 3.278 20 10 CGCDRO COc1cccc(O)c1C[NH2+][C@H]1C[C@@H](OC(C)C)C1(C)C ZINC000766088519 627293676 /nfs/dbraw/zinc/29/36/76/627293676.db2.gz KIXPMKGVRKCEHP-JKSUJKDBSA-N 1 0 293.407 3.083 20 10 CGCDRO CCc1cc(C[N@@H+]2CCOC[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000766632848 627349323 /nfs/dbraw/zinc/34/93/23/627349323.db2.gz LVHSCKIXVZJRDY-CYBMUJFWSA-N 1 0 291.435 3.473 20 10 CGCDRO COc1cccc(O)c1C[N@H+](CCC(C)C)C1CC1 ZINC000768258155 627470573 /nfs/dbraw/zinc/47/05/73/627470573.db2.gz RBXQDUVNMYTOTM-UHFFFAOYSA-N 1 0 263.381 3.411 20 10 CGCDRO CN(C)c1ccc(C[N@H+](Cc2ccn(C)c2)C2CC2)cc1 ZINC000768256346 627471072 /nfs/dbraw/zinc/47/10/72/627471072.db2.gz CNLUYXNVMSOQBN-UHFFFAOYSA-N 1 0 283.419 3.256 20 10 CGCDRO C[N@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C1CC1 ZINC000768335407 627474251 /nfs/dbraw/zinc/47/42/51/627474251.db2.gz OIRWLVLKOCNWGV-UHFFFAOYSA-N 1 0 289.379 3.179 20 10 CGCDRO CC[N@@H+](Cc1cc2c(cc1O)CCCC2)C[C@@H]1CCCO1 ZINC000768444813 627480546 /nfs/dbraw/zinc/48/05/46/627480546.db2.gz YSFYPFACFKUYCJ-KRWDZBQOSA-N 1 0 289.419 3.272 20 10 CGCDRO CCC[N@@H+](Cc1ccc(N2CCOCC2)cc1)CC(C)C ZINC000768478819 627481795 /nfs/dbraw/zinc/48/17/95/627481795.db2.gz ONZCHGBHEYEUOK-UHFFFAOYSA-N 1 0 290.451 3.391 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H](C)OC[C@H]2C)cc1 ZINC000768537116 627485217 /nfs/dbraw/zinc/48/52/17/627485217.db2.gz MNGXCONBYSOTOP-CABCVRRESA-N 1 0 276.424 3.142 20 10 CGCDRO COC(=O)CC[N@@H+](Cc1cc(C)c(C)cc1O)CC(C)C ZINC000768853040 627504234 /nfs/dbraw/zinc/50/42/34/627504234.db2.gz IVBYEKIRRHDLKU-UHFFFAOYSA-N 1 0 293.407 3.030 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CCCC(C)(C)C2)c1 ZINC000768891267 627506444 /nfs/dbraw/zinc/50/64/44/627506444.db2.gz IGVPWYCIBWGBTE-UHFFFAOYSA-N 1 0 263.381 3.413 20 10 CGCDRO COc1cccc(C[N@H+](Cc2ccccn2)C(C)C)c1O ZINC000768927568 627509556 /nfs/dbraw/zinc/50/95/56/627509556.db2.gz YNAAEEUIWOHWMD-UHFFFAOYSA-N 1 0 286.375 3.206 20 10 CGCDRO Cc1ccc(O)c(CN2CC[NH+](CCC(C)(C)C)CC2)c1 ZINC000768938156 627510459 /nfs/dbraw/zinc/51/04/59/627510459.db2.gz VZDHRAJYRKROFS-UHFFFAOYSA-N 1 0 290.451 3.254 20 10 CGCDRO COc1cccc(O)c1C[N@H+](C)C(C1CC1)C1CC1 ZINC000769192188 627530290 /nfs/dbraw/zinc/53/02/90/627530290.db2.gz HEDNLZXIGDPGFW-UHFFFAOYSA-N 1 0 261.365 3.021 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](C)[C@@H]2C)c1 ZINC000769223760 627531582 /nfs/dbraw/zinc/53/15/82/627531582.db2.gz QRHRICJUCBDKJB-OLZOCXBDSA-N 1 0 263.381 3.411 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](C)[C@@H](C)C2)c1 ZINC000769451554 627554487 /nfs/dbraw/zinc/55/44/87/627554487.db2.gz MXTYEQGCNISLNE-OLZOCXBDSA-N 1 0 263.381 3.269 20 10 CGCDRO Oc1cc2c(cc1C[N@@H+]1CCCC13CCCCC3)OCO2 ZINC000769505690 627560913 /nfs/dbraw/zinc/56/09/13/627560913.db2.gz KMUNKKDEBQWJHI-UHFFFAOYSA-N 1 0 289.375 3.420 20 10 CGCDRO C[C@H]([NH2+][C@H](CO)c1ccsc1)c1cc(Cl)ccc1O ZINC000769986022 627595241 /nfs/dbraw/zinc/59/52/41/627595241.db2.gz GIULRFJTTKKONB-TVQRCGJNSA-N 1 0 297.807 3.491 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC000770371563 627615786 /nfs/dbraw/zinc/61/57/86/627615786.db2.gz AUSIVVABFPUVCE-IAGOWNOFSA-N 1 0 288.435 3.001 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)c(C)c1)C1CCOCC1 ZINC000772996844 627839212 /nfs/dbraw/zinc/83/92/12/627839212.db2.gz HVNWMHOFKSJAJD-KRWDZBQOSA-N 1 0 290.451 3.356 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)cc1 ZINC000773747253 627910194 /nfs/dbraw/zinc/91/01/94/627910194.db2.gz RCUCPKWLMXWGJM-MRXNPFEDSA-N 1 0 298.434 3.245 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)cc1 ZINC000773747251 627910467 /nfs/dbraw/zinc/91/04/67/627910467.db2.gz RCUCPKWLMXWGJM-INIZCTEOSA-N 1 0 298.434 3.245 20 10 CGCDRO CCN(C)c1ccc(CN2CCC[C@@H]2c2ncc[nH]2)cc1 ZINC000773819098 627916728 /nfs/dbraw/zinc/91/67/28/627916728.db2.gz OEWLEBXTBLHGSU-MRXNPFEDSA-N 1 0 284.407 3.203 20 10 CGCDRO CCOc1ccc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)nc1 ZINC000775363317 628086293 /nfs/dbraw/zinc/08/62/93/628086293.db2.gz MUZRIXDOUQLSFK-AWEZNQCLSA-N 1 0 299.418 3.397 20 10 CGCDRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000775370232 628087134 /nfs/dbraw/zinc/08/71/34/628087134.db2.gz MIQDRJKYNGCEAA-MSOLQXFVSA-N 1 0 290.451 3.436 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H](CO)Cc1ccccc1)c1ccccc1O ZINC000775488126 628099717 /nfs/dbraw/zinc/09/97/17/628099717.db2.gz HTCTUPLKDJKFLJ-FUHWJXTLSA-N 1 0 299.414 3.284 20 10 CGCDRO CC[C@H]([NH2+]C[C@H]1CCC[C@H]1OC)c1ccccc1O ZINC000775531985 628104314 /nfs/dbraw/zinc/10/43/14/628104314.db2.gz QDHJWNNNZHYVAI-IVMMDQJWSA-N 1 0 263.381 3.248 20 10 CGCDRO Cc1cc(Cl)cc(C[N@H+](CCO)C2CCCCC2)c1O ZINC000775633828 628117071 /nfs/dbraw/zinc/11/70/71/628117071.db2.gz LRSAEBZWOBPNOL-UHFFFAOYSA-N 1 0 297.826 3.481 20 10 CGCDRO C[C@H](C[NH2+]Cc1c(O)cccc1Cl)N1CCCC[C@@H]1C ZINC000775986816 628156036 /nfs/dbraw/zinc/15/60/36/628156036.db2.gz JIROCWBKXFMSLV-QWHCGFSZSA-N 1 0 296.842 3.398 20 10 CGCDRO C[C@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])C1(C)CC1 ZINC000776071769 628161810 /nfs/dbraw/zinc/16/18/10/628161810.db2.gz UZKYXKWISVDBDG-QMMMGPOBSA-N 1 0 257.736 3.463 20 10 CGCDRO COc1cccc(O)c1C[NH2+]C1CCC(OC(C)C)CC1 ZINC000776252879 628184579 /nfs/dbraw/zinc/18/45/79/628184579.db2.gz IXINIDKJGJMVAJ-UHFFFAOYSA-N 1 0 293.407 3.227 20 10 CGCDRO COc1cc(O)c(C[NH2+][C@H]2CCC(C)(C)C2)cc1OC ZINC000776252857 628184687 /nfs/dbraw/zinc/18/46/87/628184687.db2.gz ZRXAAHUFEDUXMM-LBPRGKRZSA-N 1 0 279.380 3.078 20 10 CGCDRO Cc1cccc(C[NH2+][C@]2(CO)C[C@@H](C)CC(C)(C)C2)c1O ZINC000777482881 628275581 /nfs/dbraw/zinc/27/55/81/628275581.db2.gz CWNRWJVDQKREJG-SCLBCKFNSA-N 1 0 291.435 3.368 20 10 CGCDRO COc1cc(C[N@H+]2CC=CCC2)c(O)c(C(C)(C)C)c1 ZINC000778577608 628358765 /nfs/dbraw/zinc/35/87/65/628358765.db2.gz SUHLIJHNFPPYHY-UHFFFAOYSA-N 1 0 275.392 3.460 20 10 CGCDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000778996860 628382243 /nfs/dbraw/zinc/38/22/43/628382243.db2.gz USAGVQYHZFVGFZ-HNNXBMFYSA-N 1 0 272.323 3.263 20 10 CGCDRO COc1cc2c(cc1F)C[N@H+](Cc1ccccc1O)CC2 ZINC000779115790 628389162 /nfs/dbraw/zinc/38/91/62/628389162.db2.gz IJBAQKYPFQULNA-UHFFFAOYSA-N 1 0 287.334 3.098 20 10 CGCDRO COCC1(C)CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000779606161 628417831 /nfs/dbraw/zinc/41/78/31/628417831.db2.gz NQSWRVQTPJGEMB-UHFFFAOYSA-N 1 0 283.799 3.294 20 10 CGCDRO C[C@H]([NH2+]CCCC(=O)OC(C)(C)C)c1ccccc1O ZINC000783515724 628719943 /nfs/dbraw/zinc/71/99/43/628719943.db2.gz AAWNNEHGJGMSOW-LBPRGKRZSA-N 1 0 279.380 3.165 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1ccccc1O ZINC000783516485 628720061 /nfs/dbraw/zinc/72/00/61/628720061.db2.gz CIIXTMVVMMVUCA-QWHCGFSZSA-N 1 0 261.365 3.145 20 10 CGCDRO C[C@@H]([NH2+]C1(c2ccc3c(c2)OCO3)CC1)c1ccccc1O ZINC000783523692 628721549 /nfs/dbraw/zinc/72/15/49/628721549.db2.gz JGUONKIAAGIFED-GFCCVEGCSA-N 1 0 297.354 3.461 20 10 CGCDRO Oc1ccccc1C[NH2+]CCc1ccc(F)c(F)c1F ZINC000784627960 628826233 /nfs/dbraw/zinc/82/62/33/628826233.db2.gz FKGIYSXDXQTBQN-UHFFFAOYSA-N 1 0 281.277 3.142 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccc(F)nc1C ZINC000785468644 628864490 /nfs/dbraw/zinc/86/44/90/628864490.db2.gz LQHJMBBVMXTSHB-UHFFFAOYSA-N 1 0 287.382 3.193 20 10 CGCDRO CC[C@]1(C)C[N@H+](Cc2cc3c(cc2O)CCCC3)CCO1 ZINC000785511907 628868412 /nfs/dbraw/zinc/86/84/12/628868412.db2.gz MPBQVTRIPZECSD-GOSISDBHSA-N 1 0 289.419 3.272 20 10 CGCDRO CO[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000786821609 628965520 /nfs/dbraw/zinc/96/55/20/628965520.db2.gz MPFZFCBDNCFALH-LIRRHRJNSA-N 1 0 297.398 3.487 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)[C@@]1(C)CCCO1 ZINC000788527025 629062827 /nfs/dbraw/zinc/06/28/27/629062827.db2.gz RTZYKQDUZKAMOK-MAUKXSAKSA-N 1 0 288.435 3.334 20 10 CGCDRO CCN(CC)C[C@@H](C)[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000788589387 629066814 /nfs/dbraw/zinc/06/68/14/629066814.db2.gz QTRFNLRLOOELOV-CABCVRRESA-N 1 0 278.440 3.390 20 10 CGCDRO C[C@H]([NH2+]C[C@H](O)CC1CCCC1)c1ccc(N(C)C)cc1 ZINC000789388800 629129044 /nfs/dbraw/zinc/12/90/44/629129044.db2.gz RFMMLUAPHQEMBM-KBXCAEBGSA-N 1 0 290.451 3.344 20 10 CGCDRO COc1ccc(C[NH2+]CCc2ccc3c[nH]nc3c2)cc1C ZINC000790617656 629220646 /nfs/dbraw/zinc/22/06/46/629220646.db2.gz BMDCHCFQLQEDMC-UHFFFAOYSA-N 1 0 295.386 3.212 20 10 CGCDRO CC(C)[C@H]([NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F)C(C)(C)O ZINC000790701332 629225872 /nfs/dbraw/zinc/22/58/72/629225872.db2.gz KPPRKKUMOHPCCC-SIVJFFJCSA-N 1 0 295.398 3.465 20 10 CGCDRO COC1(C[NH2+]CCCSc2nccs2)CCCC1 ZINC000790968308 629244250 /nfs/dbraw/zinc/24/42/50/629244250.db2.gz ZQRHHOYAJNTASX-UHFFFAOYSA-N 1 0 286.466 3.174 20 10 CGCDRO Oc1cccc(Br)c1C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000862249859 629330997 /nfs/dbraw/zinc/33/09/97/629330997.db2.gz FKLLCOGSZXVALP-LLVKDONJSA-N 1 0 296.208 3.387 20 10 CGCDRO Cc1ccc2c(c1)CC[N@@H+](Cc1cc(F)ccc1O)C2 ZINC000792178314 629344634 /nfs/dbraw/zinc/34/46/34/629344634.db2.gz BPJRSENFIXKHFD-UHFFFAOYSA-N 1 0 271.335 3.398 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CCc3cc(C)ccc3C2)c1 ZINC000792180650 629345971 /nfs/dbraw/zinc/34/59/71/629345971.db2.gz NCMHWCCIJBPXKF-UHFFFAOYSA-N 1 0 283.371 3.268 20 10 CGCDRO C[C@@H]1C[C@@H](C)[NH+]1Cc1c(O)cccc1Br ZINC000862351339 629347539 /nfs/dbraw/zinc/34/75/39/629347539.db2.gz NBYGCIFRJVBLBW-RKDXNWHRSA-N 1 0 270.170 3.137 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2cc(C)nc(Cl)c2)c1 ZINC000862478976 629385132 /nfs/dbraw/zinc/38/51/32/629385132.db2.gz XZHLKOGOWMFZQZ-UHFFFAOYSA-N 1 0 276.767 3.347 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCC[C@@](O)(c3ccccc3)C2)c1O ZINC000862483149 629386668 /nfs/dbraw/zinc/38/66/68/629386668.db2.gz PKNIVPLXFRHQBB-IBGZPJMESA-N 1 0 297.398 3.184 20 10 CGCDRO C[C@H]([NH2+]CCCCCF)c1ccc(N2CCOCC2)cc1 ZINC000792877262 629389610 /nfs/dbraw/zinc/38/96/10/629389610.db2.gz RPRSSCGTZCPSBB-HNNXBMFYSA-N 1 0 294.414 3.314 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCc2c(O)cccc2C1 ZINC000862529522 629391747 /nfs/dbraw/zinc/39/17/47/629391747.db2.gz MLWOWLRNTSIXHA-UHFFFAOYSA-N 1 0 296.414 3.325 20 10 CGCDRO Cc1ccncc1C[N@@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000793339320 629444894 /nfs/dbraw/zinc/44/48/94/629444894.db2.gz ZUYBDABFONBYHG-UHFFFAOYSA-N 1 0 287.382 3.227 20 10 CGCDRO CCCC(CCC)[NH2+]Cc1ccc(OC)cc1O ZINC000793387166 629452621 /nfs/dbraw/zinc/45/26/21/629452621.db2.gz AEZMQEZMFXWQME-UHFFFAOYSA-N 1 0 251.370 3.459 20 10 CGCDRO COc1ccc(C[NH2+]C[C@@H](C)Cc2ccccc2)c(O)c1 ZINC000793388722 629453076 /nfs/dbraw/zinc/45/30/76/629453076.db2.gz SCFHHDOFINPKAK-AWEZNQCLSA-N 1 0 285.387 3.369 20 10 CGCDRO Cc1cc([C@@H](C)[NH2+]CCCSc2nccs2)n(C)n1 ZINC000793537673 629479109 /nfs/dbraw/zinc/47/91/09/629479109.db2.gz YGFNFKPDVGXJKP-LLVKDONJSA-N 1 0 296.465 3.018 20 10 CGCDRO COc1cc(C[N@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)c(O)cc1C ZINC000863272336 629518671 /nfs/dbraw/zinc/51/86/71/629518671.db2.gz AASGCHDBPREQRO-TXEJJXNPSA-N 1 0 299.361 3.432 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H](O)c1ccccc1)c1ccc(C)cc1O ZINC000794795198 629577463 /nfs/dbraw/zinc/57/74/63/629577463.db2.gz OWETVKJVHYNQQG-AEFFLSMTSA-N 1 0 285.387 3.475 20 10 CGCDRO CC[C@@H]([NH2+]CCN1CCC[C@H](C)C1)c1ccc(C)cc1O ZINC000794795001 629577544 /nfs/dbraw/zinc/57/75/44/629577544.db2.gz GERVSJWBUAWCPJ-DOTOQJQBSA-N 1 0 290.451 3.473 20 10 CGCDRO CC[C@@H]([NH2+]CCOC(F)(F)F)c1ccc(C)cc1O ZINC000794812008 629580349 /nfs/dbraw/zinc/58/03/49/629580349.db2.gz BESWIZZIEZVXBZ-LLVKDONJSA-N 1 0 277.286 3.278 20 10 CGCDRO CC[C@@H](N[C@@H]1CC[NH2+][C@H]1CC)c1cc(Cl)ccc1O ZINC000863543741 629603354 /nfs/dbraw/zinc/60/33/54/629603354.db2.gz XCNFTNGPGSJOAJ-HZSPNIEDSA-N 1 0 282.815 3.227 20 10 CGCDRO Cc1ccc([C@H](O)[C@H](C)[NH2+]Cc2cc(C)ccc2O)cc1 ZINC000796483982 629789515 /nfs/dbraw/zinc/78/95/15/629789515.db2.gz MOACTFQFEVBXIK-KBXCAEBGSA-N 1 0 285.387 3.221 20 10 CGCDRO CC(=O)c1cc(F)cc(C[N@H+](CC2CC2)C2CCC2)c1[O-] ZINC000796578237 629802558 /nfs/dbraw/zinc/80/25/58/629802558.db2.gz UISJHADYHXKROS-UHFFFAOYSA-N 1 0 291.366 3.498 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(F)cc1[O-] ZINC000796799576 629835941 /nfs/dbraw/zinc/83/59/41/629835941.db2.gz RHXRWRQONUUZFS-DZKIICNBSA-N 1 0 294.414 3.445 20 10 CGCDRO Cc1ccc([C@H](O)[C@@H](C)[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC000797056329 629878940 /nfs/dbraw/zinc/87/89/40/629878940.db2.gz BJNZODSOEWODHJ-PMUMKWKESA-N 1 0 285.387 3.473 20 10 CGCDRO CC1=CCC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000797822757 629988288 /nfs/dbraw/zinc/98/82/88/629988288.db2.gz RAICMPMNWKBYEI-UHFFFAOYSA-N 1 0 254.333 3.092 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H](CO)CC2CCCC2)cc1C ZINC000798503055 630060746 /nfs/dbraw/zinc/06/07/46/630060746.db2.gz BJWTVCAUWVIMPZ-INIZCTEOSA-N 1 0 291.435 3.287 20 10 CGCDRO CC[C@H](C)[C@H](O)C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808696154 630295149 /nfs/dbraw/zinc/29/51/49/630295149.db2.gz SOFMTWGUBCHBBB-NURSFMCSSA-N 1 0 285.815 3.412 20 10 CGCDRO CC[C@H](CCO)C[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808702479 630295825 /nfs/dbraw/zinc/29/58/25/630295825.db2.gz XKODKVMKJYZKFP-VXGBXAGGSA-N 1 0 285.815 3.413 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]CCCOC(F)F)c2c1c(F)ccc2O ZINC000800989960 630318107 /nfs/dbraw/zinc/31/81/07/630318107.db2.gz LMCRALWQFMGBKN-PSASIEDQSA-N 1 0 289.297 3.299 20 10 CGCDRO CCCC[N@H+](Cc1ccccc1O)[C@H](CC)C(=O)OCC ZINC000801598551 630346742 /nfs/dbraw/zinc/34/67/42/630346742.db2.gz CAJBCBCYASGHGT-OAHLLOKOSA-N 1 0 293.407 3.336 20 10 CGCDRO CCCC[N@@H+](Cc1ccccc1O)CC1=CCCOC1 ZINC000802657568 630403107 /nfs/dbraw/zinc/40/31/07/630403107.db2.gz JFQOAGJNSSJRHH-UHFFFAOYSA-N 1 0 275.392 3.341 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000806141971 630548417 /nfs/dbraw/zinc/54/84/17/630548417.db2.gz XMGHXUSYVSNTML-IRXDYDNUSA-N 1 0 258.409 3.339 20 10 CGCDRO COC[C@@]1(C)CC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000840106364 630596334 /nfs/dbraw/zinc/59/63/34/630596334.db2.gz UKVIWYFZOGRREI-SFHVURJKSA-N 1 0 289.419 3.129 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@H+]2CC[C@@H](N3CCCC3)[C@H]2C)c1 ZINC000808193004 630630627 /nfs/dbraw/zinc/63/06/27/630630627.db2.gz TZVMMGOUNUEIQU-NVXWUHKLSA-N 1 0 288.435 3.068 20 10 CGCDRO CO[C@H](C)CC[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808690566 630664535 /nfs/dbraw/zinc/66/45/35/630664535.db2.gz MUZKRKROPUVNHR-GHMZBOCLSA-N 1 0 271.788 3.430 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](O)C(C)C)c1O ZINC000808695410 630665990 /nfs/dbraw/zinc/66/59/90/630665990.db2.gz HFPJDKBXAHQKKE-MFKMUULPSA-N 1 0 271.788 3.022 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](C)CCO)c1O ZINC000808698411 630666608 /nfs/dbraw/zinc/66/66/08/630666608.db2.gz OVTCDBVKWBWUTH-ONGXEEELSA-N 1 0 271.788 3.023 20 10 CGCDRO Cc1n[nH]cc1C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808707523 630667512 /nfs/dbraw/zinc/66/75/12/630667512.db2.gz RHDMJTKSWKWFLZ-JTQLQIEISA-N 1 0 279.771 3.236 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2(CO)CCC2)c1O ZINC000808713812 630669554 /nfs/dbraw/zinc/66/95/54/630669554.db2.gz KMXVZXQZKQYIFS-LLVKDONJSA-N 1 0 283.799 3.167 20 10 CGCDRO C/C=C/C[C@H](CO)[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808714709 630669694 /nfs/dbraw/zinc/66/96/94/630669694.db2.gz OUJCZFRVRPZXSB-WPCUQIPDSA-N 1 0 283.799 3.332 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C2COC(C)(C)OC2)c1O ZINC000808715806 630669702 /nfs/dbraw/zinc/66/97/02/630669702.db2.gz XICHDCHYYNDLQE-JTQLQIEISA-N 1 0 299.798 3.156 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)C[C@@H](C)O)c1O ZINC000808713761 630669841 /nfs/dbraw/zinc/66/98/41/630669841.db2.gz PIUDJMIHMHRTIT-MXWKQRLJSA-N 1 0 271.788 3.164 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](O)c2ccccc2)c(O)c1 ZINC000808720991 630670741 /nfs/dbraw/zinc/67/07/41/630670741.db2.gz FYIMWINAFPOUKQ-DEYYWGMASA-N 1 0 285.387 3.473 20 10 CGCDRO CO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(N3CCCCC3)cc2)C1 ZINC000809693689 630784484 /nfs/dbraw/zinc/78/44/84/630784484.db2.gz YMVLFZVWQKNTJZ-HDICACEKSA-N 1 0 288.435 3.286 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CCOc3ccc(C)cc3C2)c1 ZINC000809704239 630787453 /nfs/dbraw/zinc/78/74/53/630787453.db2.gz WXTULIHHZADUJC-UHFFFAOYSA-N 1 0 299.370 3.104 20 10 CGCDRO COc1cccc(O)c1C[NH+]1CCC2(CCC2)CC1 ZINC000809706783 630787481 /nfs/dbraw/zinc/78/74/81/630787481.db2.gz KHLLODSEBQQAEM-UHFFFAOYSA-N 1 0 261.365 3.167 20 10 CGCDRO COc1cccc(C[NH2+]C[C@H](C)Cc2ccccc2)c1O ZINC000809739906 630796156 /nfs/dbraw/zinc/79/61/56/630796156.db2.gz WHXOSYFPWPWLKI-CQSZACIVSA-N 1 0 285.387 3.369 20 10 CGCDRO CCc1cccc(F)c1C[NH2+]Cc1cccc(OC)c1O ZINC000809740366 630796593 /nfs/dbraw/zinc/79/65/93/630796593.db2.gz WCGQSROMUURFHY-UHFFFAOYSA-N 1 0 289.350 3.392 20 10 CGCDRO COc1cccc(C[NH2+][C@H]2CC(C)(C)C[C@@H]2C)c1O ZINC000809740047 630796868 /nfs/dbraw/zinc/79/68/68/630796868.db2.gz KLYLGOUWWRFKQC-AAEUAGOBSA-N 1 0 263.381 3.315 20 10 CGCDRO C[C@]1(CCCO)CCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000809757154 630801047 /nfs/dbraw/zinc/80/10/47/630801047.db2.gz KCADRPPMVIKUOR-OAHLLOKOSA-N 1 0 283.799 3.173 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+](C)Cc2ccccc2N(C)C)c1 ZINC000809787512 630808774 /nfs/dbraw/zinc/80/87/74/630808774.db2.gz GMVYUOMGDYWNRM-UHFFFAOYSA-N 1 0 284.403 3.399 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ncccc2N(C)C)c(O)c1 ZINC000810249074 630859301 /nfs/dbraw/zinc/85/93/01/630859301.db2.gz LZFVJHIMJBMXMR-CYBMUJFWSA-N 1 0 285.391 3.012 20 10 CGCDRO CC(C)N(C)C[C@@H](C)[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000810253707 630860332 /nfs/dbraw/zinc/86/03/32/630860332.db2.gz AZXFUFFQUGYMGE-VXGBXAGGSA-N 1 0 284.831 3.425 20 10 CGCDRO CC[C@H](C[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F)OC ZINC000810258696 630861209 /nfs/dbraw/zinc/86/12/09/630861209.db2.gz UQGNBHADOLDVKA-CKYFFXLPSA-N 1 0 267.344 3.094 20 10 CGCDRO CC[C@@H]([NH2+]CCc1cccnc1OC)c1ccccc1O ZINC000810260365 630861437 /nfs/dbraw/zinc/86/14/37/630861437.db2.gz JTUPVBHJXFXWEI-OAHLLOKOSA-N 1 0 286.375 3.079 20 10 CGCDRO Cc1cc(Br)cc(C[NH+]2CC(C3CC3)C2)c1O ZINC000812775854 631305679 /nfs/dbraw/zinc/30/56/79/631305679.db2.gz OWQAALWQPRYUOU-UHFFFAOYSA-N 1 0 296.208 3.305 20 10 CGCDRO Cc1cccc(O)c1C[N@H+](C)Cc1cccc(O)c1 ZINC000876511867 634848869 /nfs/dbraw/zinc/84/88/69/634848869.db2.gz VVOFFSDNZQLAPA-UHFFFAOYSA-N 1 0 257.333 3.038 20 10 CGCDRO COc1cccc(C[N@H+](C)Cc2c(C)cccc2O)c1 ZINC000876533226 634851937 /nfs/dbraw/zinc/85/19/37/634851937.db2.gz QAUFBTTZUSOIDF-UHFFFAOYSA-N 1 0 271.360 3.341 20 10 CGCDRO CC[C@H](O)C[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000813885858 631476004 /nfs/dbraw/zinc/47/60/04/631476004.db2.gz XKOIQWCOCJXYGZ-YJBOKZPZSA-N 1 0 290.451 3.489 20 10 CGCDRO C[C@H]1C[N@H+](Cc2ccccc2O)Cc2ccccc2O1 ZINC000814177612 631538082 /nfs/dbraw/zinc/53/80/82/631538082.db2.gz IJRWROUDVGVMJE-ZDUSSCGKSA-N 1 0 269.344 3.175 20 10 CGCDRO CSC[C@@H]1CCC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000814179635 631540548 /nfs/dbraw/zinc/54/05/48/631540548.db2.gz WXNGEVVXANWNSU-CYBMUJFWSA-N 1 0 265.422 3.276 20 10 CGCDRO CCC[C@]1(CO)CCC[N@@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000815103348 631718078 /nfs/dbraw/zinc/71/80/78/631718078.db2.gz RYYQZPISOHFCCQ-GOSISDBHSA-N 1 0 290.451 3.188 20 10 CGCDRO Cc1cc(C[N@@H+]2CC[C@]3(C2)CCCOC3)ccc1N(C)C ZINC000815112965 631719416 /nfs/dbraw/zinc/71/94/16/631719416.db2.gz JTXDIYIDSNDHRU-SFHVURJKSA-N 1 0 288.435 3.064 20 10 CGCDRO CCC[C@]1([NH2+]Cc2ccc(N(C)CC)cc2)CCOC1 ZINC000815116816 631720369 /nfs/dbraw/zinc/72/03/69/631720369.db2.gz ASJHNBTZMKRXNA-KRWDZBQOSA-N 1 0 276.424 3.192 20 10 CGCDRO CCN(CC[NH2+][C@@H](C)c1c(C)cc(C)cc1O)C(C)C ZINC000815573697 631797736 /nfs/dbraw/zinc/79/77/36/631797736.db2.gz QWUGQOBIMVJIBB-HNNXBMFYSA-N 1 0 278.440 3.390 20 10 CGCDRO CC(C)(O)C[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000815578156 631798907 /nfs/dbraw/zinc/79/89/07/631798907.db2.gz IOOUMLZEPFXDAB-QGZVFWFLSA-N 1 0 299.414 3.427 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@H]2CCN(C)[C@H](C)C2)c(O)c1 ZINC000815583739 631800683 /nfs/dbraw/zinc/80/06/83/631800683.db2.gz NIMXLNGWNRWWLK-ILXRZTDVSA-N 1 0 276.424 3.142 20 10 CGCDRO COC1(C[NH2+][C@H](C)c2c(C)cc(C)cc2O)CCC1 ZINC000815614035 631805583 /nfs/dbraw/zinc/80/55/83/631805583.db2.gz DNOZDPKPNBIZIE-CYBMUJFWSA-N 1 0 263.381 3.229 20 10 CGCDRO CO[C@H](C[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F)C1CC1 ZINC000815651413 631813517 /nfs/dbraw/zinc/81/35/17/631813517.db2.gz SFEZWSVQBXLHNM-GAJTVXKRSA-N 1 0 279.355 3.094 20 10 CGCDRO COCCC[N@H+](C)Cc1ccc2ccccc2c1O ZINC000816497414 631994186 /nfs/dbraw/zinc/99/41/86/631994186.db2.gz ANWKOOGOXZSBDT-UHFFFAOYSA-N 1 0 259.349 3.014 20 10 CGCDRO C[C@@H](O)C1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC000816501509 631995756 /nfs/dbraw/zinc/99/57/56/631995756.db2.gz PACZBGNATQBURU-CYBMUJFWSA-N 1 0 285.387 3.138 20 10 CGCDRO C[N@H+](Cc1ccc2ccccc2c1O)CC1(O)CCCC1 ZINC000816513347 632000926 /nfs/dbraw/zinc/00/09/26/632000926.db2.gz NVVCULTZGVAHJV-UHFFFAOYSA-N 1 0 285.387 3.282 20 10 CGCDRO Cc1ccc([C@@H](O)C[NH2+]Cc2ccc3ccccc3c2O)o1 ZINC000816553552 632010417 /nfs/dbraw/zinc/01/04/17/632010417.db2.gz ZGHKXIMHHHXDOX-INIZCTEOSA-N 1 0 297.354 3.270 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@H](O)CC23CCC3)cc1 ZINC000817291087 632116898 /nfs/dbraw/zinc/11/68/98/632116898.db2.gz MSQJKXDIXGTRCD-QGZVFWFLSA-N 1 0 288.435 3.022 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@H](O)CC23CCC3)cc1 ZINC000817291085 632117753 /nfs/dbraw/zinc/11/77/53/632117753.db2.gz MSQJKXDIXGTRCD-KRWDZBQOSA-N 1 0 288.435 3.022 20 10 CGCDRO CC[C@@H]1C[C@H]([NH2+][C@H](C)c2cc(C)ccc2O)CCO1 ZINC000817585557 632191847 /nfs/dbraw/zinc/19/18/47/632191847.db2.gz GOVWNBKOKKAQRY-MGPQQGTHSA-N 1 0 263.381 3.309 20 10 CGCDRO CC[NH2+]CCN[C@H](CCc1ccccc1)c1ccccc1O ZINC000817952154 632248079 /nfs/dbraw/zinc/24/80/79/632248079.db2.gz OFFPFBKSRVNQBY-GOSISDBHSA-N 1 0 298.430 3.265 20 10 CGCDRO Nc1ccc(CC[NH2+][C@@H]2CCCOc3ccccc32)cc1 ZINC000817955983 632251240 /nfs/dbraw/zinc/25/12/40/632251240.db2.gz MTLGOWBEGHEDJJ-QGZVFWFLSA-N 1 0 282.387 3.315 20 10 CGCDRO Cc1cc([C@@H](C)[NH2+]CCc2ccc(N)cc2)oc1C ZINC000817956675 632252095 /nfs/dbraw/zinc/25/20/95/632252095.db2.gz ALTZYOKBWLSNAY-GFCCVEGCSA-N 1 0 258.365 3.372 20 10 CGCDRO Nc1ccc(CC[NH2+][C@@H](C2CC2)C2CCCC2)cc1 ZINC000817956943 632252560 /nfs/dbraw/zinc/25/25/60/632252560.db2.gz GHCOEOPAXYPKSN-QGZVFWFLSA-N 1 0 258.409 3.370 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H](CN)CC(C)C)cc1 ZINC000817958153 632253854 /nfs/dbraw/zinc/25/38/54/632253854.db2.gz IKKJUZXBCMABOP-ZBFHGGJFSA-N 1 0 277.456 3.167 20 10 CGCDRO C[C@H]([NH2+][C@@H](CN)C1CCCCC1)c1ccc(N(C)C)cc1 ZINC000817960390 632256668 /nfs/dbraw/zinc/25/66/68/632256668.db2.gz YNFFQTSUISPVLU-KSSFIOAISA-N 1 0 289.467 3.311 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](C)[NH3+])c1ccc(Cl)c(Cl)c1[O-] ZINC000817973761 632266478 /nfs/dbraw/zinc/26/64/78/632266478.db2.gz WBXMGOZHCRFRQE-XCBNKYQSSA-N 1 0 277.195 3.087 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)N[C@H]2CCCC[NH2+]C2)c1O ZINC000817984074 632272862 /nfs/dbraw/zinc/27/28/62/632272862.db2.gz MNVKJJSLCFYJSR-AAEUAGOBSA-N 1 0 282.815 3.147 20 10 CGCDRO CC[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1cccc(Cl)c1[O-] ZINC000817984716 632274844 /nfs/dbraw/zinc/27/48/44/632274844.db2.gz XRWZIAZAAPFUGR-SMDDNHRTSA-N 1 0 282.815 3.228 20 10 CGCDRO CC(C)n1cncc1C[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000818183886 632295107 /nfs/dbraw/zinc/29/51/07/632295107.db2.gz BECJWEIVWODKJA-UHFFFAOYSA-N 1 0 298.434 3.136 20 10 CGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCC[C@H]3C)C2)cc1 ZINC000818222894 632298979 /nfs/dbraw/zinc/29/89/79/632298979.db2.gz XTHTUJZIQXCOHU-IIDMSEBBSA-N 1 0 288.435 3.300 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CC12CC2)c1ccc(Br)cc1O ZINC000818356252 632313518 /nfs/dbraw/zinc/31/35/18/632313518.db2.gz MDLZEOHILQZMNO-PELKAZGASA-N 1 0 282.181 3.358 20 10 CGCDRO CCOCc1cc(C[NH2+]CCC(C)(C)OC)ccc1OC ZINC000865755715 632879211 /nfs/dbraw/zinc/87/92/11/632879211.db2.gz DULJCPPLZOHFOW-UHFFFAOYSA-N 1 0 295.423 3.136 20 10 CGCDRO [O-]c1ccc(Cl)c(F)c1C[NH2+][C@H]1CCCn2nccc21 ZINC000865873000 632933547 /nfs/dbraw/zinc/93/35/47/632933547.db2.gz YRHFROFHEBPVNH-NSHDSACASA-N 1 0 295.745 3.006 20 10 CGCDRO CCC[C@H](CCO)[NH2+][C@@H](CC)c1ccc(C)cc1O ZINC000866415128 633127205 /nfs/dbraw/zinc/12/72/05/633127205.db2.gz PFAIPEPEEZWIMQ-HIFRSBDPSA-N 1 0 265.397 3.292 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)c(O)c1 ZINC000866444278 633134765 /nfs/dbraw/zinc/13/47/65/633134765.db2.gz FASXZORCSXBMBQ-MCKLEBTQSA-N 1 0 287.403 3.083 20 10 CGCDRO Cc1ncc([C@@H](C)[NH2+][C@@H]2CCc3cccc(O)c32)s1 ZINC000866454647 633143358 /nfs/dbraw/zinc/14/33/58/633143358.db2.gz GHXKFMYBHYZAOF-BXKDBHETSA-N 1 0 274.389 3.495 20 10 CGCDRO Cc1cccc(C[NH2+]Cc2ccc3c(c2)CCO3)c1F ZINC000823753621 633149269 /nfs/dbraw/zinc/14/92/69/633149269.db2.gz YMDNHLJQBRMQRH-UHFFFAOYSA-N 1 0 271.335 3.359 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCCC23CCC3)c1 ZINC000823872116 633163142 /nfs/dbraw/zinc/16/31/42/633163142.db2.gz YVXXNPRLHPZQTH-OAHLLOKOSA-N 1 0 261.365 3.213 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1C[C@H]1C1CCOCC1)c1cc(F)ccc1O ZINC000866539113 633182860 /nfs/dbraw/zinc/18/28/60/633182860.db2.gz GHXKZNRAHYHVEK-RBOXIYTFSA-N 1 0 293.382 3.245 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](C)c2ccnn2C)cc1 ZINC000866613432 633213975 /nfs/dbraw/zinc/21/39/75/633213975.db2.gz SRQPMGCZMHRIMW-KBPBESRZSA-N 1 0 286.423 3.288 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCCn2nccc21)c1ccc(Cl)cc1O ZINC000866633142 633222768 /nfs/dbraw/zinc/22/27/68/633222768.db2.gz FZXMMVOURNXIOH-GXFFZTMASA-N 1 0 291.782 3.428 20 10 CGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000824292095 633225409 /nfs/dbraw/zinc/22/54/09/633225409.db2.gz KYNLOELRMCNPGB-HALDLXJZSA-N 1 0 276.424 3.318 20 10 CGCDRO Cc1cc(O)c(C[N@H+](C)C[C@@H]2CCCCO2)cc1Cl ZINC000824610436 633264212 /nfs/dbraw/zinc/26/42/12/633264212.db2.gz MNELBTCLFUYANG-ZDUSSCGKSA-N 1 0 283.799 3.355 20 10 CGCDRO CC[C@@H]1CCC[C@H]1C[NH2+]Cc1cccc(OC)c1O ZINC000824653488 633269002 /nfs/dbraw/zinc/26/90/02/633269002.db2.gz BUESMXQJZZAITE-OLZOCXBDSA-N 1 0 263.381 3.317 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CC[C@@H](OC)C(C)(C)C2)c(O)c1 ZINC000824821273 633296569 /nfs/dbraw/zinc/29/65/69/633296569.db2.gz XJAJNQGJMUBTAX-MRXNPFEDSA-N 1 0 293.407 3.038 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000876584896 634862457 /nfs/dbraw/zinc/86/24/57/634862457.db2.gz RYYHHKPDKIFNMY-INIZCTEOSA-N 1 0 268.360 3.433 20 10 CGCDRO Cc1cc(O)c(C[N@@H+](C)[C@@H](CO)C(C)(C)C)cc1Cl ZINC000824905784 633303890 /nfs/dbraw/zinc/30/38/90/633303890.db2.gz CXWBHFKQXXFLDJ-AWEZNQCLSA-N 1 0 285.815 3.193 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2C[C@@H](C3CC3)[C@H]2C2CC2)c1 ZINC000824940721 633309224 /nfs/dbraw/zinc/30/92/24/633309224.db2.gz BFKZZNXWWSEJLG-DOTOQJQBSA-N 1 0 273.376 3.021 20 10 CGCDRO COc1ccc(O)c(C[NH2+]CCc2cc(C)ccc2F)c1 ZINC000824978002 633314051 /nfs/dbraw/zinc/31/40/51/633314051.db2.gz QDEHDVQYIBAZSX-UHFFFAOYSA-N 1 0 289.350 3.181 20 10 CGCDRO CCn1ccnc1[C@@H](C)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000825005358 633316394 /nfs/dbraw/zinc/31/63/94/633316394.db2.gz IITDEZSETVRGDK-NWDGAFQWSA-N 1 0 289.379 3.029 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H]2C[C@@H](C)n3ccnc32)cc1C ZINC000825017395 633318361 /nfs/dbraw/zinc/31/83/61/633318361.db2.gz QDKFIGUZGROIOY-OCCSQVGLSA-N 1 0 271.364 3.001 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)cc1Cl ZINC000825304005 633343138 /nfs/dbraw/zinc/34/31/38/633343138.db2.gz PJCIWKHEFALPEK-DFBGVHRSSA-N 1 0 295.810 3.257 20 10 CGCDRO CC[C@@H](COC)[NH2+]Cc1ccc2ccccc2c1O ZINC000825297774 633343225 /nfs/dbraw/zinc/34/32/25/633343225.db2.gz MZTXQYPRAQFWPV-AWEZNQCLSA-N 1 0 259.349 3.060 20 10 CGCDRO c1csc(SCCC[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)n1 ZINC000825303447 633343419 /nfs/dbraw/zinc/34/34/19/633343419.db2.gz HVWKVXULOLMUJI-GRYCIOLGSA-N 1 0 268.451 3.404 20 10 CGCDRO CC1(C)C[N@H+](Cc2ccc3ccccc3c2O)[C@@H]2COC[C@@H]21 ZINC000825332501 633346964 /nfs/dbraw/zinc/34/69/64/633346964.db2.gz ZAWRSFYTICFQFL-DLBZAZTESA-N 1 0 297.398 3.402 20 10 CGCDRO Cc1cc(O)c(C[N@@H+](C)[C@H]2CC[C@H](O)CC2)cc1Cl ZINC000825634933 633369032 /nfs/dbraw/zinc/36/90/32/633369032.db2.gz SHNBWNQZNGFKRA-JOCQHMNTSA-N 1 0 283.799 3.089 20 10 CGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@@H](C)CSCCF ZINC000825710711 633376453 /nfs/dbraw/zinc/37/64/53/633376453.db2.gz YZMLZJFLQGZCDU-ZDUSSCGKSA-N 1 0 284.444 3.453 20 10 CGCDRO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000826100846 633405017 /nfs/dbraw/zinc/40/50/17/633405017.db2.gz VMZSMFJJTCZQGF-UKRRQHHQSA-N 1 0 283.799 3.401 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2C[C@H](C)O[C@@H]2C)cc1Cl ZINC000826122084 633406022 /nfs/dbraw/zinc/40/60/22/633406022.db2.gz XNRLGEIWZIGORI-TUAOUCFPSA-N 1 0 283.799 3.257 20 10 CGCDRO C[C@@]1(C2CC2)CN(Cc2cc(Cl)ccc2O)CCO1 ZINC000826878012 633439900 /nfs/dbraw/zinc/43/99/00/633439900.db2.gz QJQSUUDUHKINRJ-HNNXBMFYSA-N 1 0 281.783 3.047 20 10 CGCDRO CCC(C)(C)[C@@H](C)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000826910445 633443136 /nfs/dbraw/zinc/44/31/36/633443136.db2.gz IBIBSPHRCWMSHC-LLVKDONJSA-N 1 0 281.396 3.324 20 10 CGCDRO Cc1ccncc1CC[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000826921638 633443790 /nfs/dbraw/zinc/44/37/90/633443790.db2.gz RZNDIHHMSDTGDL-UHFFFAOYSA-N 1 0 290.794 3.390 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+][C@@H]1CCN(C2CCCCC2)C1 ZINC000827261129 633476042 /nfs/dbraw/zinc/47/60/42/633476042.db2.gz VLGKSEFEVCIILR-OAHLLOKOSA-N 1 0 292.398 3.028 20 10 CGCDRO COc1cc(O)c(C[NH2+]C(C)(C2CC2)C2CC2)cc1OC ZINC000827575497 633500414 /nfs/dbraw/zinc/50/04/14/633500414.db2.gz QFYQPDAJPMNHEL-UHFFFAOYSA-N 1 0 291.391 3.078 20 10 CGCDRO CC(C)(C)CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000827663088 633508961 /nfs/dbraw/zinc/50/89/61/633508961.db2.gz YPDFSKWOHSLMCH-UHFFFAOYSA-N 1 0 290.451 3.174 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)c1O ZINC000827705198 633511488 /nfs/dbraw/zinc/51/14/88/633511488.db2.gz GHXKXAXYXJHFHH-IXDOHACOSA-N 1 0 283.346 3.268 20 10 CGCDRO COc1cc(Cl)cc(C[N@H+](C)CC2=CCSC2)c1O ZINC000827806088 633520193 /nfs/dbraw/zinc/52/01/93/633520193.db2.gz NQYBMYVJKFMSNC-UHFFFAOYSA-N 1 0 299.823 3.159 20 10 CGCDRO Oc1ccccc1C[N@H+](Cc1cnns1)C1CCCC1 ZINC000827813200 633521298 /nfs/dbraw/zinc/52/12/98/633521298.db2.gz NZVGZLZOGXXVQN-UHFFFAOYSA-N 1 0 289.404 3.189 20 10 CGCDRO CCCC[N@@H+](Cc1ccccc1O)C[C@H](O)CCC ZINC000829515782 633746368 /nfs/dbraw/zinc/74/63/68/633746368.db2.gz IMEZDTXJVJDJBA-OAHLLOKOSA-N 1 0 265.397 3.155 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@H](SC)C2)cc1 ZINC000830890572 633894720 /nfs/dbraw/zinc/89/47/20/633894720.db2.gz ZZZHUQKTMPTYHO-HNNXBMFYSA-N 1 0 264.438 3.080 20 10 CGCDRO CCC[C@H](C)[C@H](CO)[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000846183318 636154548 /nfs/dbraw/zinc/15/45/48/636154548.db2.gz HJANHTOCVPKTDH-WDMOLILDSA-N 1 0 285.815 3.493 20 10 CGCDRO CC[C@H]([NH2+]CCC1(CO)CCC1)c1ccc(N(C)C)cc1 ZINC000846209586 636159451 /nfs/dbraw/zinc/15/94/51/636159451.db2.gz FUXYRKFVMYYRFD-KRWDZBQOSA-N 1 0 290.451 3.346 20 10 CGCDRO Cc1nccnc1[C@@H](C)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000872134078 634057195 /nfs/dbraw/zinc/05/71/95/634057195.db2.gz RAPZDGLKTUTKGH-MWLCHTKSSA-N 1 0 275.327 3.042 20 10 CGCDRO C[C@H](C[NH2+][C@H]1CCc2cccc(O)c21)N(C)c1ccccc1 ZINC000834513299 634174652 /nfs/dbraw/zinc/17/46/52/634174652.db2.gz JJZUKNGCSIYRGO-PBHICJAKSA-N 1 0 296.414 3.494 20 10 CGCDRO Cc1ccsc1[C@@H](CO)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834676695 634217321 /nfs/dbraw/zinc/21/73/21/634217321.db2.gz XZUWJZQOVHFVOS-CHWSQXEVSA-N 1 0 289.400 3.073 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]Cc1ccn(C3CCCC3)n1)CC2 ZINC000834685091 634220100 /nfs/dbraw/zinc/22/01/00/634220100.db2.gz HKZFGTRFVYSEDQ-MRXNPFEDSA-N 1 0 297.402 3.481 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+][C@@H]2CCn3ccnc32)c(O)c1 ZINC000834831067 634251230 /nfs/dbraw/zinc/25/12/30/634251230.db2.gz HUUJFJXHQDXVQC-CHWSQXEVSA-N 1 0 271.364 3.001 20 10 CGCDRO CCC[C@H](C[NH2+][C@@H](C)c1c(C)cc(C)cc1O)OC ZINC000834841340 634255087 /nfs/dbraw/zinc/25/50/87/634255087.db2.gz STTKUZDNYIBTPM-UONOGXRCSA-N 1 0 265.397 3.475 20 10 CGCDRO CC[C@](C)(C[NH2+][C@@H](C)c1c(C)cc(C)cc1O)OC ZINC000834881968 634264740 /nfs/dbraw/zinc/26/47/40/634264740.db2.gz HFYGASYBLOLXDZ-XJKSGUPXSA-N 1 0 265.397 3.475 20 10 CGCDRO CC(C)[C@H]1C[C@H](C[NH2+][C@@H](C)c2ccccc2O)CCO1 ZINC000834884668 634266726 /nfs/dbraw/zinc/26/67/26/634266726.db2.gz AOTDAOLONBEDOW-JJRVBVJISA-N 1 0 277.408 3.494 20 10 CGCDRO Cc1nccnc1[C@@H](C)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000873187225 634276474 /nfs/dbraw/zinc/27/64/74/634276474.db2.gz OFCPFHMQUIFTBO-GEXIGZQTSA-N 1 0 296.418 3.215 20 10 CGCDRO CCc1ncc(C[NH2+][C@@H](C)c2ccc(C)cc2O)o1 ZINC000834900986 634277983 /nfs/dbraw/zinc/27/79/83/634277983.db2.gz VKQYMPGUUZBIRG-NSHDSACASA-N 1 0 260.337 3.102 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H]1CCC[C@H]1O)c1cccc(Cl)c1[O-] ZINC000834903382 634279765 /nfs/dbraw/zinc/27/97/65/634279765.db2.gz PAJWKZWCSVVUCO-ZLKJLUDKSA-N 1 0 283.799 3.247 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCc2cnc(C)cn2)c(O)c1 ZINC000834907732 634283401 /nfs/dbraw/zinc/28/34/01/634283401.db2.gz AZSNDFYHCSLTBU-AWEZNQCLSA-N 1 0 285.391 3.001 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1cccc(Cl)c1[O-] ZINC000873271337 634313696 /nfs/dbraw/zinc/31/36/96/634313696.db2.gz GSOJBSHAURDCBQ-NHYWBVRUSA-N 1 0 296.842 3.474 20 10 CGCDRO CN(C)c1ccc(/C=C\C[N@H+](C)CC2(O)CCCC2)cc1 ZINC000835025644 634324646 /nfs/dbraw/zinc/32/46/46/634324646.db2.gz IKSJECBQOJYSIY-SREVYHEPSA-N 1 0 288.435 3.003 20 10 CGCDRO CCOC[C@H]1CC[N@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835030019 634325714 /nfs/dbraw/zinc/32/57/14/634325714.db2.gz YTZVTYHALZMAFX-RTRPANQVSA-N 1 0 288.435 3.124 20 10 CGCDRO CN(C)c1ccc(/C=C\C[N@H+](C)Cc2cccnc2)cc1 ZINC000835044529 634331306 /nfs/dbraw/zinc/33/13/06/634331306.db2.gz LKKRXNXWZDSLRN-ALCCZGGFSA-N 1 0 281.403 3.293 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@H]2CSC2(C)C)cc1 ZINC000835049031 634335340 /nfs/dbraw/zinc/33/53/40/634335340.db2.gz DMZIQSKQYYGGOE-YVACAVLKSA-N 1 0 276.449 3.249 20 10 CGCDRO COC1(C[NH2+]C/C=C/c2ccc(N(C)C)cc2)CCCC1 ZINC000835054944 634339020 /nfs/dbraw/zinc/33/90/20/634339020.db2.gz OKSNOPRKXMJIRR-VOTSOKGWSA-N 1 0 288.435 3.315 20 10 CGCDRO Cc1cccnc1CC[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835055703 634339067 /nfs/dbraw/zinc/33/90/67/634339067.db2.gz XXPPBUWIODCPKJ-ALCCZGGFSA-N 1 0 295.430 3.302 20 10 CGCDRO CC[N@H+](CCc1ccccn1)Cc1ccc(C)cc1O ZINC000876635349 634872832 /nfs/dbraw/zinc/87/28/32/634872832.db2.gz VKKANNRLSWOQKU-UHFFFAOYSA-N 1 0 270.376 3.160 20 10 CGCDRO CCCO[C@H]1CCC[N@H+](Cc2c(C)cccc2O)CC1 ZINC000876719897 634885858 /nfs/dbraw/zinc/88/58/58/634885858.db2.gz AMDLSRVDDZJZMT-HNNXBMFYSA-N 1 0 277.408 3.482 20 10 CGCDRO Cc1ccc(C[NH+]2CCC(OCC3CC3)CC2)c(O)c1 ZINC000876772711 634896301 /nfs/dbraw/zinc/89/63/01/634896301.db2.gz RLLCUURPHSKADD-UHFFFAOYSA-N 1 0 275.392 3.092 20 10 CGCDRO CCCOc1ncccc1C[NH2+]Cc1c(C)cccc1O ZINC000876986331 634943551 /nfs/dbraw/zinc/94/35/51/634943551.db2.gz CBRJXMNPMUCHMO-UHFFFAOYSA-N 1 0 286.375 3.174 20 10 CGCDRO CC(C)C(C)(C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877009596 634949062 /nfs/dbraw/zinc/94/90/62/634949062.db2.gz SZNOKLHQPUJJCJ-UHFFFAOYSA-N 1 0 290.451 3.172 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]Cc1cc(C(C)C)no1 ZINC000877030402 634956046 /nfs/dbraw/zinc/95/60/46/634956046.db2.gz CTWVLTIZLPLYGN-UHFFFAOYSA-N 1 0 260.337 3.102 20 10 CGCDRO CC(C)[C@@H](C)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877050984 634963710 /nfs/dbraw/zinc/96/37/10/634963710.db2.gz QELFDWOITIOTRA-HNNXBMFYSA-N 1 0 290.451 3.029 20 10 CGCDRO COc1cc(C)cc(C[NH2+]Cc2ccc(C)cc2O)c1 ZINC000877114020 634988154 /nfs/dbraw/zinc/98/81/54/634988154.db2.gz RYBJXLZLFWZZLR-UHFFFAOYSA-N 1 0 271.360 3.307 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)c(O)c1 ZINC000877129053 634994763 /nfs/dbraw/zinc/99/47/63/634994763.db2.gz HUFOMNFAYGWSJH-YUELXQCFSA-N 1 0 295.473 3.170 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]C[C@H](c1cccs1)N(C)C ZINC000877142447 634999650 /nfs/dbraw/zinc/99/96/50/634999650.db2.gz PUQODZIOMMDWRR-CQSZACIVSA-N 1 0 290.432 3.155 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@H]1C1CCOCC1 ZINC000877139799 634999987 /nfs/dbraw/zinc/99/99/87/634999987.db2.gz AKZVPUONKNIBST-INIZCTEOSA-N 1 0 275.392 3.092 20 10 CGCDRO Cc1ccc(C[N@@H+](C)[C@H](C)c2cccnc2)c(O)c1 ZINC000877317135 635024609 /nfs/dbraw/zinc/02/46/09/635024609.db2.gz HEQQSBAOZYJVCD-CYBMUJFWSA-N 1 0 256.349 3.289 20 10 CGCDRO CC[C@H](C)c1nnc([C@@H](C)[NH2+]Cc2ccc(C)cc2O)[nH]1 ZINC000877475545 635050575 /nfs/dbraw/zinc/05/05/75/635050575.db2.gz SKQUGYPYIVIQFV-NWDGAFQWSA-N 1 0 288.395 3.183 20 10 CGCDRO Cc1ccc(C[NH2+][C@@]2(CO)CCCc3ccccc32)c(O)c1 ZINC000877499881 635062040 /nfs/dbraw/zinc/06/20/40/635062040.db2.gz WFOLAXLZELLZAU-LJQANCHMSA-N 1 0 297.398 3.014 20 10 CGCDRO Cc1cc(O)c(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000840881631 635072789 /nfs/dbraw/zinc/07/27/89/635072789.db2.gz PBOQHDHPKLGXIX-CHWSQXEVSA-N 1 0 294.826 3.070 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2c(C)cccc2O)c1 ZINC000877534078 635076567 /nfs/dbraw/zinc/07/65/67/635076567.db2.gz XHDXAGRILLIVGO-GFCCVEGCSA-N 1 0 287.359 3.266 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCC[C@H](CO)C1)c1ccc(C)cc1O ZINC000840893878 635077517 /nfs/dbraw/zinc/07/75/17/635077517.db2.gz LYJRZDSMIUEDLW-LZWOXQAQSA-N 1 0 277.408 3.292 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CC(C)(C)C[C@@H](C)O)c(Cl)c1 ZINC000840898888 635078107 /nfs/dbraw/zinc/07/81/07/635078107.db2.gz GZVBQGLWXVDCNZ-LLVKDONJSA-N 1 0 285.815 3.241 20 10 CGCDRO CC[N@H+](Cc1ccc(C)cc1O)[C@@H]1CCOC(C)(C)C1 ZINC000877538569 635078154 /nfs/dbraw/zinc/07/81/54/635078154.db2.gz DTCXXNVKQBTBIF-OAHLLOKOSA-N 1 0 277.408 3.480 20 10 CGCDRO CO[C@H](C)[C@@H](C)[NH2+][C@H](C)Cc1ccc(N(C)C)cc1C ZINC000840894774 635078167 /nfs/dbraw/zinc/07/81/67/635078167.db2.gz SKPPMDYOVKFABX-RBSFLKMASA-N 1 0 278.440 3.005 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@]2(C)CCCO2)c(Cl)c1 ZINC000840906247 635078837 /nfs/dbraw/zinc/07/88/37/635078837.db2.gz WSVDOIYNLUUYJW-AWEZNQCLSA-N 1 0 269.772 3.013 20 10 CGCDRO Cc1cc(O)c(C[N@H+](C[C@H]2CCOC2)C2CC2)c(Cl)c1 ZINC000840910543 635080176 /nfs/dbraw/zinc/08/01/76/635080176.db2.gz OYFBJJKGGZBREC-GFCCVEGCSA-N 1 0 295.810 3.355 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000840911349 635080897 /nfs/dbraw/zinc/08/08/97/635080897.db2.gz XBQOKVJLPAVYCG-MRXNPFEDSA-N 1 0 298.434 3.164 20 10 CGCDRO CC[N@@H+](Cc1ccc(N(C)C)cc1C)C[C@H]1CCCO1 ZINC000840911664 635081240 /nfs/dbraw/zinc/08/12/40/635081240.db2.gz MAYFVGAVKYFFLT-QGZVFWFLSA-N 1 0 276.424 3.062 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCCOC(C)(C)C2)c(Cl)c1 ZINC000840918257 635082916 /nfs/dbraw/zinc/08/29/16/635082916.db2.gz QTVYGSJHZSQYNY-UHFFFAOYSA-N 1 0 283.799 3.355 20 10 CGCDRO CO[C@H](C[NH2+]Cc1ccc(N(C)C)cc1C)C(C)(C)C ZINC000840934966 635084731 /nfs/dbraw/zinc/08/47/31/635084731.db2.gz ABYNBKXVXADVEF-MRXNPFEDSA-N 1 0 278.440 3.212 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccc(Cl)cn1 ZINC000840938052 635085946 /nfs/dbraw/zinc/08/59/46/635085946.db2.gz ZCDLXPFZPOREJH-UHFFFAOYSA-N 1 0 289.810 3.399 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCSC2)c(Cl)c1 ZINC000840940767 635086743 /nfs/dbraw/zinc/08/67/43/635086743.db2.gz KWOXMDYRGMETRR-SNVBAGLBSA-N 1 0 271.813 3.197 20 10 CGCDRO CO[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2C)[C@H](C)C1 ZINC000840942447 635088392 /nfs/dbraw/zinc/08/83/92/635088392.db2.gz ODDVUBOSLLOQLD-RHSMWYFYSA-N 1 0 276.424 3.060 20 10 CGCDRO COc1cccc(C[NH2+]C[C@@H]2CCC[C@@H]2C2CC2)c1O ZINC000840954076 635092300 /nfs/dbraw/zinc/09/23/00/635092300.db2.gz CRMHKVOYQSDESH-DZGCQCFKSA-N 1 0 275.392 3.317 20 10 CGCDRO COCC[C@@H](C)C[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000840954709 635092513 /nfs/dbraw/zinc/09/25/13/635092513.db2.gz IQRTZEUVTHCVIW-SNVBAGLBSA-N 1 0 271.788 3.116 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c(O)c1 ZINC000877564051 635093042 /nfs/dbraw/zinc/09/30/42/635093042.db2.gz WRXLQARGXFHYJZ-ZACQAIPSSA-N 1 0 289.419 3.216 20 10 CGCDRO COc1ccc(C[NH2+]CC(C)(C)OCC2CC2)cc1C ZINC000840960235 635094362 /nfs/dbraw/zinc/09/43/62/635094362.db2.gz HVYZGGIVHOLLTD-UHFFFAOYSA-N 1 0 277.408 3.298 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CC3(CCOCC3)[C@@H]2C(C)C)c1 ZINC000840969086 635095689 /nfs/dbraw/zinc/09/56/89/635095689.db2.gz HWJSXDVPKYFEPR-KRWDZBQOSA-N 1 0 289.419 3.338 20 10 CGCDRO Cc1cccc(O)c1C[NH2+][C@H]1CCO[C@@H](c2ccncc2)C1 ZINC000877569347 635096254 /nfs/dbraw/zinc/09/62/54/635096254.db2.gz NMZOKJNXUKKSQR-MAUKXSAKSA-N 1 0 298.386 3.106 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@H](C)COC(C)C ZINC000840975682 635099219 /nfs/dbraw/zinc/09/92/19/635099219.db2.gz JTDSMCRSBPHFJX-HZPDHXFCSA-N 1 0 292.467 3.395 20 10 CGCDRO CCOC[C@H]1CCCC[N@@H+]1Cc1ccc(C)cc1O ZINC000877584856 635102376 /nfs/dbraw/zinc/10/23/76/635102376.db2.gz JUIKEGFGMGRUCY-OAHLLOKOSA-N 1 0 263.381 3.092 20 10 CGCDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1ccc(C)cc1O ZINC000877587625 635103728 /nfs/dbraw/zinc/10/37/28/635103728.db2.gz OYZWXXNDZFJPHK-AEFFLSMTSA-N 1 0 283.371 3.103 20 10 CGCDRO Cc1ccc(C[N@@H+]2CC3(CCOCC3)[C@@H]2C(C)C)c(O)c1 ZINC000877590698 635105311 /nfs/dbraw/zinc/10/53/11/635105311.db2.gz DVPFRBMUTMPEKE-KRWDZBQOSA-N 1 0 289.419 3.338 20 10 CGCDRO Cc1ccc(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)C2)c(O)c1 ZINC000877607158 635109648 /nfs/dbraw/zinc/10/96/48/635109648.db2.gz ZDQLJLWCUXMWSE-OKILXGFUSA-N 1 0 263.381 3.136 20 10 CGCDRO CCOc1ccc(C[NH2+]CCc2ccc(N)cc2)cc1F ZINC000841037997 635111161 /nfs/dbraw/zinc/11/11/61/635111161.db2.gz FEBFSNJJWFTZJM-UHFFFAOYSA-N 1 0 288.366 3.139 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CC[C@@H]1CCSC1 ZINC000877662851 635136721 /nfs/dbraw/zinc/13/67/21/635136721.db2.gz YBRCYQKQWOPGEY-CQSZACIVSA-N 1 0 278.465 3.294 20 10 CGCDRO Cc1ncc([C@@H](C)[NH2+]Cc2cc(F)ccc2O)s1 ZINC000877685379 635146752 /nfs/dbraw/zinc/14/67/52/635146752.db2.gz XACQTPUNHQKQBG-MRVPVSSYSA-N 1 0 266.341 3.147 20 10 CGCDRO CC[C@@]1(O)CCC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000877691158 635148003 /nfs/dbraw/zinc/14/80/03/635148003.db2.gz JSWUJOLVXVYIGY-GOSISDBHSA-N 1 0 285.387 3.282 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]Cc1cccc2c1CCOC2 ZINC000877697375 635149108 /nfs/dbraw/zinc/14/91/08/635149108.db2.gz HXHFZEJUAIWQOU-UHFFFAOYSA-N 1 0 283.371 3.063 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]CC1([C@H]2CCCCO2)CCC1 ZINC000877698435 635149310 /nfs/dbraw/zinc/14/93/10/635149310.db2.gz UXNFJINHTUNKNO-MRXNPFEDSA-N 1 0 293.382 3.360 20 10 CGCDRO CCCn1nc(C)c(CN2Cc3cccc(O)c3C2)c1C ZINC000877703005 635154225 /nfs/dbraw/zinc/15/42/25/635154225.db2.gz OBSGUXNWTARANQ-UHFFFAOYSA-N 1 0 285.391 3.131 20 10 CGCDRO Cc1ccc(C[NH2+]CC(C)(C)C(C)(F)F)c(O)c1 ZINC000877731035 635167010 /nfs/dbraw/zinc/16/70/10/635167010.db2.gz LQLUCORSQZZRCH-UHFFFAOYSA-N 1 0 257.324 3.472 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]CCSCCC(F)(F)F ZINC000877731264 635167188 /nfs/dbraw/zinc/16/71/88/635167188.db2.gz SVHDMOIGDIPTPA-UHFFFAOYSA-N 1 0 293.354 3.476 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1)c1ccccc1O ZINC000877755596 635184669 /nfs/dbraw/zinc/18/46/69/635184669.db2.gz HQZHHBOXVLAYCM-BREBYQMCSA-N 1 0 289.297 3.153 20 10 CGCDRO COc1cc(C[NH2+][C@H](C)c2ccccc2O)cc(OC)c1 ZINC000877756334 635185581 /nfs/dbraw/zinc/18/55/81/635185581.db2.gz HYLBUWSDQSEGSX-GFCCVEGCSA-N 1 0 287.359 3.260 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)c2ccccc2O)c1 ZINC000877757223 635185786 /nfs/dbraw/zinc/18/57/86/635185786.db2.gz PQQHYLPFWRBSFM-LBPRGKRZSA-N 1 0 257.333 3.257 20 10 CGCDRO C[C@H]([NH2+]C[C@@H](O)c1ccsc1)c1ccc(Cl)cc1O ZINC000841748494 635224060 /nfs/dbraw/zinc/22/40/60/635224060.db2.gz ACPPLYCTZQVLMN-LKFCYVNXSA-N 1 0 297.807 3.491 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])c1O ZINC000877827743 635230005 /nfs/dbraw/zinc/23/00/05/635230005.db2.gz NPGUYLRXDXWGIR-LBPRGKRZSA-N 1 0 286.331 3.460 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCOC1(C)C)c1ccc(Cl)cc1O ZINC000841755570 635230154 /nfs/dbraw/zinc/23/01/54/635230154.db2.gz JIDPILAEEBZZIY-TVQRCGJNSA-N 1 0 269.772 3.264 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1COCc2ccccc21)c1cc(F)ccc1O ZINC000841758757 635231341 /nfs/dbraw/zinc/23/13/41/635231341.db2.gz DCHSNRSICWZWSJ-BDJLRTHQSA-N 1 0 287.334 3.453 20 10 CGCDRO C[C@@H]([NH2+][C@H]1COCc2ccccc21)c1cc(F)ccc1O ZINC000841758760 635231780 /nfs/dbraw/zinc/23/17/80/635231780.db2.gz DCHSNRSICWZWSJ-BZNIZROVSA-N 1 0 287.334 3.453 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H]1COC(C)(C)C1 ZINC000841887099 635246440 /nfs/dbraw/zinc/24/64/40/635246440.db2.gz FDZIKZBGNYROPR-HOCLYGCPSA-N 1 0 290.451 3.149 20 10 CGCDRO CO[C@@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)CC(C)C ZINC000841888800 635247184 /nfs/dbraw/zinc/24/71/84/635247184.db2.gz RCWQDMLJXBUMPY-CQSZACIVSA-N 1 0 282.403 3.042 20 10 CGCDRO C=C/C=C/CC[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000877922773 635272369 /nfs/dbraw/zinc/27/23/69/635272369.db2.gz GUCHXMXKUNDMIU-SNAWJCMRSA-N 1 0 286.419 3.087 20 10 CGCDRO CCC[N@H+](CC[C@@H](O)C(C)C)Cc1ccccc1O ZINC000878150641 635379217 /nfs/dbraw/zinc/37/92/17/635379217.db2.gz GQLZMHGRXIYFPF-OAHLLOKOSA-N 1 0 265.397 3.011 20 10 CGCDRO CCC[N@H+](Cc1nocc1C)Cc1ccccc1O ZINC000878150907 635379915 /nfs/dbraw/zinc/37/99/15/635379915.db2.gz KKUPGJJOYYZTCV-UHFFFAOYSA-N 1 0 260.337 3.101 20 10 CGCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@@H]1SC ZINC000842767616 635466695 /nfs/dbraw/zinc/46/66/95/635466695.db2.gz XWMFTBWDBJMMJG-BMFZPTHFSA-N 1 0 295.448 3.002 20 10 CGCDRO CCOCc1cc(C[NH2+][C@@H]2CCS[C@@H]2C)ccc1OC ZINC000842779423 635470930 /nfs/dbraw/zinc/47/09/30/635470930.db2.gz QMDTWGOKQKVEAR-IUODEOHRSA-N 1 0 295.448 3.215 20 10 CGCDRO CC[C@H](C)C[C@@H](CO)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000842913271 635510511 /nfs/dbraw/zinc/51/05/11/635510511.db2.gz AZRWTGHOMYNILR-DZKIICNBSA-N 1 0 278.440 3.200 20 10 CGCDRO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(C)cc2O)[C@@H]1SC ZINC000842923815 635513733 /nfs/dbraw/zinc/51/37/33/635513733.db2.gz KRXVBHMBLFLAHH-CUBALJKWSA-N 1 0 295.448 3.260 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CO[C@H](C)C2)c1O ZINC000842927206 635514554 /nfs/dbraw/zinc/51/45/54/635514554.db2.gz CSRJCGTUTHFTNA-SCVCMEIPSA-N 1 0 269.772 3.182 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC3(CCC3)C2)cc1F ZINC000127147934 635524561 /nfs/dbraw/zinc/52/45/61/635524561.db2.gz TUOMJTQHXQAKCV-UHFFFAOYSA-N 1 0 262.372 3.268 20 10 CGCDRO CCC[N@H+](Cc1cccc(Cl)c1[O-])C1CC[NH2+]CC1 ZINC000843044948 635549550 /nfs/dbraw/zinc/54/95/50/635549550.db2.gz NJPNAYXQBFMXTJ-UHFFFAOYSA-N 1 0 282.815 3.010 20 10 CGCDRO CC1(CC(F)F)C[NH+](Cc2cc(F)ccc2O)C1 ZINC000843424836 635670039 /nfs/dbraw/zinc/67/00/39/635670039.db2.gz MJFMLSHIFYTFIN-UHFFFAOYSA-N 1 0 259.271 3.008 20 10 CGCDRO CC[N@H+](CCSC)Cc1c(O)cccc1Cl ZINC000843437669 635675937 /nfs/dbraw/zinc/67/59/37/635675937.db2.gz UHNZJUWBCAOXQM-UHFFFAOYSA-N 1 0 259.802 3.231 20 10 CGCDRO Cc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccccc2O)c(C)c1 ZINC000879652046 635827872 /nfs/dbraw/zinc/82/78/72/635827872.db2.gz UUZRMGMHDUKIEC-AWEZNQCLSA-N 1 0 298.386 3.298 20 10 CGCDRO COc1ccc(N(C)CC[N@H+](C)[C@H](C)c2ccncc2)cc1 ZINC000844400627 635890579 /nfs/dbraw/zinc/89/05/79/635890579.db2.gz DTMKAUVRXWWFEU-OAHLLOKOSA-N 1 0 299.418 3.219 20 10 CGCDRO COc1ccc(N(C)CC[N@H+](C)CC2CC(F)(F)C2)cc1 ZINC000844402208 635891490 /nfs/dbraw/zinc/89/14/90/635891490.db2.gz PULPNLAABRPWAY-UHFFFAOYSA-N 1 0 298.377 3.109 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@]3(CC3(F)F)C2)c1O ZINC000844746972 635958439 /nfs/dbraw/zinc/95/84/39/635958439.db2.gz QLOWFUKKXIFXIJ-HNNXBMFYSA-N 1 0 297.345 3.330 20 10 CGCDRO c1cc2c(c(C[NH2+]Cc3ccc4c(c3)CCO4)c1)CCC2 ZINC000845928265 636120151 /nfs/dbraw/zinc/12/01/51/636120151.db2.gz AZAAMQTWZVOOQP-UHFFFAOYSA-N 1 0 279.383 3.400 20 10 CGCDRO CCc1cccc(C[NH2+]Cc2cc(OC)ccc2O)c1 ZINC000845937997 636120686 /nfs/dbraw/zinc/12/06/86/636120686.db2.gz QURHUXZUTRRMHA-UHFFFAOYSA-N 1 0 271.360 3.253 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@H](CC)OC[C@H]2CC)c1 ZINC000846028010 636132073 /nfs/dbraw/zinc/13/20/73/636132073.db2.gz UCMZECVAGSYDIW-CABCVRRESA-N 1 0 293.407 3.180 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]C[C@H](CC(C)C)N(C)C)c1O ZINC000846139407 636148701 /nfs/dbraw/zinc/14/87/01/636148701.db2.gz UHJWTMZOONDYHC-KGLIPLIRSA-N 1 0 294.439 3.028 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]Cc2nc(C)cs2)c1O ZINC000846138771 636148873 /nfs/dbraw/zinc/14/88/73/636148873.db2.gz NVCCUBZZIYWPPB-JTQLQIEISA-N 1 0 278.377 3.017 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]CCCc2nccs2)c1O ZINC000846155908 636150378 /nfs/dbraw/zinc/15/03/78/636150378.db2.gz QUCBYXZRCYGBFG-NSHDSACASA-N 1 0 292.404 3.141 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]CCC[C@H]2CCCCO2)c1O ZINC000846166689 636152058 /nfs/dbraw/zinc/15/20/58/636152058.db2.gz ZQSZDXSMZSUCBN-ZIAGYGMSSA-N 1 0 293.407 3.401 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C2CCC(OC)CC2)c1O ZINC000846170052 636152783 /nfs/dbraw/zinc/15/27/83/636152783.db2.gz VMSSLUQFXWHMGN-HIFPTAJRSA-N 1 0 279.380 3.009 20 10 CGCDRO CC(C)C[N@H+](C)CCC[NH2+][C@H](C)c1cc(F)ccc1O ZINC000846178460 636153503 /nfs/dbraw/zinc/15/35/03/636153503.db2.gz VXEVVHKPNWNXQT-CYBMUJFWSA-N 1 0 282.403 3.160 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@H](C)[C@@](C)(OC)C2CC2)c1O ZINC000846173425 636154036 /nfs/dbraw/zinc/15/40/36/636154036.db2.gz QSROESLUFVMQJT-XWCIJXRUSA-N 1 0 293.407 3.255 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C2CC3(CCC3)C2)c1O ZINC000846212583 636160331 /nfs/dbraw/zinc/16/03/31/636160331.db2.gz MHPGEWPNSZIVPS-NSHDSACASA-N 1 0 261.365 3.384 20 10 CGCDRO CC(C)(C)O[C@H]1C[C@H]([NH2+]Cc2c(O)cccc2Cl)C1 ZINC000848567662 636610495 /nfs/dbraw/zinc/61/04/95/636610495.db2.gz ZFTRUXRFOVQTNP-XYPYZODXSA-N 1 0 283.799 3.481 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H]2C[C@H](OC(C)(C)C)C2)c1 ZINC000848567561 636610516 /nfs/dbraw/zinc/61/05/16/636610516.db2.gz YFCLHBOTUJMGSU-HDJSIYSDSA-N 1 0 263.381 3.136 20 10 CGCDRO CO[C@H]1C[C@H](C[NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC000883263880 636633895 /nfs/dbraw/zinc/63/38/95/636633895.db2.gz IRRKQMLQCWAHEU-SAABIXHNSA-N 1 0 288.435 3.192 20 10 CGCDRO COc1cccc(O)c1C[NH2+]CC[C@H]1CCCC1(F)F ZINC000883265773 636636633 /nfs/dbraw/zinc/63/66/33/636636633.db2.gz KUZLEKZWQZTQJE-LLVKDONJSA-N 1 0 285.334 3.316 20 10 CGCDRO CCc1cccc(C[NH2+]CCC[C@@H]2CCCC[C@@H]2O)c1O ZINC000848899685 636680946 /nfs/dbraw/zinc/68/09/46/636680946.db2.gz SDRHNCFAIIIPPE-RDJZCZTQSA-N 1 0 291.435 3.376 20 10 CGCDRO CCc1cccc(CNc2cc(N(C)C)cc[nH+]2)c1O ZINC000848903235 636682638 /nfs/dbraw/zinc/68/26/38/636682638.db2.gz ZMVXXBWWDABIED-UHFFFAOYSA-N 1 0 271.364 3.028 20 10 CGCDRO CCc1cccc(C[N@H+](CC)Cc2ccncc2)c1O ZINC000848911248 636686574 /nfs/dbraw/zinc/68/65/74/636686574.db2.gz SGXGKLOLYDGWHX-UHFFFAOYSA-N 1 0 270.376 3.372 20 10 CGCDRO CCc1cccc(C[NH2+][C@H]2CCCC23CCOCC3)c1O ZINC000848909206 636686614 /nfs/dbraw/zinc/68/66/14/636686614.db2.gz NHDGFCJFTFPKDB-INIZCTEOSA-N 1 0 289.419 3.394 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCCc3occc3C2)c1O ZINC000848912281 636687160 /nfs/dbraw/zinc/68/71/60/636687160.db2.gz DBYSGYKQMKKSJZ-UHFFFAOYSA-N 1 0 271.360 3.496 20 10 CGCDRO CCc1cccc(C[NH2+][C@H](C(C)C)C2(CO)CCC2)c1O ZINC000848912658 636687270 /nfs/dbraw/zinc/68/72/70/636687270.db2.gz IEXMSXNQNDZPTM-QGZVFWFLSA-N 1 0 291.435 3.231 20 10 CGCDRO CCc1cccc(C[NH2+][C@H]2CCO[C@H](CC)C2)c1O ZINC000848917451 636690347 /nfs/dbraw/zinc/69/03/47/636690347.db2.gz GIUNVZZRDWDTOV-LSDHHAIUSA-N 1 0 263.381 3.002 20 10 CGCDRO CC[C@H]([NH2+]Cc1cc(C)c(C)cc1O)[C@H]1CCCOC1 ZINC000883353182 636695230 /nfs/dbraw/zinc/69/52/30/636695230.db2.gz PSCPBGLLWXNRCE-HOCLYGCPSA-N 1 0 277.408 3.304 20 10 CGCDRO COC[C@@H](CC(C)(C)C)[NH2+]Cc1cccc(C)c1O ZINC000848926182 636699384 /nfs/dbraw/zinc/69/93/84/636699384.db2.gz MMUTWRXDSRRQCW-CQSZACIVSA-N 1 0 265.397 3.241 20 10 CGCDRO C[C@H]([NH2+]CC1(O)CCCCCC1)c1ccc(N(C)C)cc1 ZINC000087088636 636789997 /nfs/dbraw/zinc/78/99/97/636789997.db2.gz JAIHZRLVZXVWJX-HNNXBMFYSA-N 1 0 290.451 3.489 20 10 CGCDRO CC[C@@H](C)[NH2+]Cc1cc(Br)cc(C)c1O ZINC000132548746 636818443 /nfs/dbraw/zinc/81/84/43/636818443.db2.gz CUVLYXAOBYXEAF-SECBINFHSA-N 1 0 272.186 3.351 20 10 CGCDRO C[N@@H+](Cc1cc(Cl)ccc1O)C[C@@H]1CCCCO1 ZINC000132596674 636822799 /nfs/dbraw/zinc/82/27/99/636822799.db2.gz IOBYCZKIJJHYPH-ZDUSSCGKSA-N 1 0 269.772 3.047 20 10 CGCDRO COC[C@H](C)C[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850077898 636950624 /nfs/dbraw/zinc/95/06/24/636950624.db2.gz RTAMCRATAYQGSJ-GFCCVEGCSA-N 1 0 295.423 3.070 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CCCc2ccccc2C1 ZINC000133961963 636990322 /nfs/dbraw/zinc/99/03/22/636990322.db2.gz RMXMOOFDCUAHKW-UHFFFAOYSA-N 1 0 253.345 3.341 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CCCc3ccccc3C2)c1 ZINC000133965496 636990526 /nfs/dbraw/zinc/99/05/26/636990526.db2.gz SXWRHQOUHXUWJA-UHFFFAOYSA-N 1 0 283.371 3.349 20 10 CGCDRO CSc1ccc(C[NH2+]Cc2ccccc2O)cc1 ZINC000134227621 637007670 /nfs/dbraw/zinc/00/76/70/637007670.db2.gz JCIPYVIQQHTGBU-UHFFFAOYSA-N 1 0 259.374 3.404 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]C[C@H](C)c2ccccn2)c1 ZINC000850341340 637020459 /nfs/dbraw/zinc/02/04/59/637020459.db2.gz HGHFFDSBFLVBIL-ZDUSSCGKSA-N 1 0 286.375 3.079 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCN2C(C)(C)C)c(Cl)c1 ZINC000850344022 637021484 /nfs/dbraw/zinc/02/14/84/637021484.db2.gz VFBWAWZRXMKUKD-GFCCVEGCSA-N 1 0 296.842 3.316 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3cccs3)C2)cc1 ZINC000850345530 637021710 /nfs/dbraw/zinc/02/17/10/637021710.db2.gz CZWOKMKUKXVHFY-ZDUSSCGKSA-N 1 0 288.416 3.125 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@](C)(CC)CCO)cc1 ZINC000134467029 637022999 /nfs/dbraw/zinc/02/29/99/637022999.db2.gz NMGWHYFTGBWNAB-QGZVFWFLSA-N 1 0 278.440 3.174 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+][C@@H]1C[C@@H](O)c2ccccc21 ZINC000850372103 637034714 /nfs/dbraw/zinc/03/47/14/637034714.db2.gz PXNFHIHSEURHLK-GDBMZVCRSA-N 1 0 289.762 3.314 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1C[C@H]1C)c1cc(Br)ccc1O ZINC000134915089 637049425 /nfs/dbraw/zinc/04/94/25/637049425.db2.gz OUWLHIHNLFHBQE-KXUCPTDWSA-N 1 0 284.197 3.461 20 10 CGCDRO Cc1cnc([C@H](C)[NH2+]Cc2cc(C)ccc2O)s1 ZINC000134912146 637049947 /nfs/dbraw/zinc/04/99/47/637049947.db2.gz ZDSYDXJREGJSMO-NSHDSACASA-N 1 0 262.378 3.316 20 10 CGCDRO CC(C)C[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000134901906 637050293 /nfs/dbraw/zinc/05/02/93/637050293.db2.gz BLZNBQUHMWKBFQ-SECBINFHSA-N 1 0 272.186 3.461 20 10 CGCDRO C[C@@H]([NH2+]CCCF)c1cc(Br)ccc1O ZINC000134935554 637053149 /nfs/dbraw/zinc/05/31/49/637053149.db2.gz DOCQSTRWDQJEAN-MRVPVSSYSA-N 1 0 276.149 3.165 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](C)c2ccccn2)c1 ZINC000850481698 637085545 /nfs/dbraw/zinc/08/55/45/637085545.db2.gz JBGOEARLRJPILD-CHWSQXEVSA-N 1 0 286.375 3.250 20 10 CGCDRO COC1CC(CC[NH2+][C@@H](C)c2cc(C)ccc2O)C1 ZINC000850483206 637086519 /nfs/dbraw/zinc/08/65/19/637086519.db2.gz VEGWURZFQRVZHA-HSBZDZAISA-N 1 0 263.381 3.166 20 10 CGCDRO CC[C@H]([NH2+][C@H]1COC(C)(C)C1)c1ccc(C)cc1O ZINC000850483231 637087203 /nfs/dbraw/zinc/08/72/03/637087203.db2.gz VHTCSCBUABJBEL-OCCSQVGLSA-N 1 0 263.381 3.309 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]([S@@](C)=O)C2)c(O)c1 ZINC000850500146 637092117 /nfs/dbraw/zinc/09/21/17/637092117.db2.gz BACHUOUYKJVVPC-DIMHRPKISA-N 1 0 295.448 3.041 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCO[C@H]2CC2(F)F)c(O)c1C ZINC000850521428 637101173 /nfs/dbraw/zinc/10/11/73/637101173.db2.gz VHNPNADCKHDMDF-YPMHNXCESA-N 1 0 285.334 3.084 20 10 CGCDRO C[C@H]([NH2+][C@H]1COC2(CCC2)C1)c1ccc(Cl)cc1O ZINC000850524413 637103363 /nfs/dbraw/zinc/10/33/63/637103363.db2.gz YDXFQCRRKFKGTM-CMPLNLGQSA-N 1 0 281.783 3.408 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H](CO)CC1CC1)c1ccc(N(C)C)cc1 ZINC000850544068 637115683 /nfs/dbraw/zinc/11/56/83/637115683.db2.gz BYRGPQORVGSQEV-MAUKXSAKSA-N 1 0 290.451 3.202 20 10 CGCDRO CC[C@H]([NH2+]C[C@H](CO)CC1CC1)c1ccc(C)cc1O ZINC000850546175 637116360 /nfs/dbraw/zinc/11/63/60/637116360.db2.gz XDFJSDSEKAAGQL-ZBFHGGJFSA-N 1 0 277.408 3.150 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](CO)CC2CC2)c(O)c1C ZINC000850545943 637116513 /nfs/dbraw/zinc/11/65/13/637116513.db2.gz VDMYUJLFEDJTPG-ZFWWWQNUSA-N 1 0 277.408 3.068 20 10 CGCDRO Cn1ncc(C2CCC2)c1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000850549228 637117487 /nfs/dbraw/zinc/11/74/87/637117487.db2.gz GFILRXWIHSTFBI-OAHLLOKOSA-N 1 0 297.402 3.170 20 10 CGCDRO CCCN1CC[C@H]([NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)C1 ZINC000850557285 637121403 /nfs/dbraw/zinc/12/14/03/637121403.db2.gz VZQHGUMLFHSMAX-MBNYWOFBSA-N 1 0 292.398 3.154 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CC2SCCS2)c(O)c1C ZINC000850559655 637122837 /nfs/dbraw/zinc/12/28/37/637122837.db2.gz DYFMASNLXOYUDD-NSHDSACASA-N 1 0 283.462 3.466 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]C[C@H]2CCOC2(C)C)c2c1c(F)ccc2O ZINC000850571199 637128612 /nfs/dbraw/zinc/12/86/12/637128612.db2.gz OODCZPLIZNVHJV-WZRBSPASSA-N 1 0 293.382 3.484 20 10 CGCDRO CC[C@@H]([NH2+][C@H](C)c1nccn1C)c1ccc(C)cc1O ZINC000850572859 637129905 /nfs/dbraw/zinc/12/99/05/637129905.db2.gz PRJBWPXPBBUCRM-TZMCWYRMSA-N 1 0 273.380 3.236 20 10 CGCDRO C[C@@H]([NH2+][C@H](C)c1cc2c(cc1O)CCCC2)c1nccn1C ZINC000850573082 637129971 /nfs/dbraw/zinc/12/99/71/637129971.db2.gz UDPBIOXJEXUZQB-CHWSQXEVSA-N 1 0 299.418 3.416 20 10 CGCDRO C[N@H+](CCCOc1ccccc1)Cc1ccccc1O ZINC000109770714 637267824 /nfs/dbraw/zinc/26/78/24/637267824.db2.gz HPDAEPYEZNSCIA-UHFFFAOYSA-N 1 0 271.360 3.293 20 10 CGCDRO C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ccc(F)cc1[O-] ZINC000219058146 637498522 /nfs/dbraw/zinc/49/85/22/637498522.db2.gz BSCLTWUKIRCTAH-UONOGXRCSA-N 1 0 294.414 3.446 20 10 CGCDRO CCCC[N@H+](Cc1cc(OC)no1)Cc1ccccc1O ZINC000852018217 637574020 /nfs/dbraw/zinc/57/40/20/637574020.db2.gz KWCAFGDMUUYEFC-UHFFFAOYSA-N 1 0 290.363 3.191 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC[C@H]2CC(C)(C)CO2)c1 ZINC000886718198 637670703 /nfs/dbraw/zinc/67/07/03/637670703.db2.gz STQNHJGJBYYWKZ-JSGCOSHPSA-N 1 0 293.407 3.257 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@H](C)N(C)C2CC2)cc1 ZINC000222100271 637774543 /nfs/dbraw/zinc/77/45/43/637774543.db2.gz DWNXSBVWORIYJL-HNNXBMFYSA-N 1 0 289.467 3.105 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCO[C@](C)(C3CC3)C2)cc1C ZINC000853527834 637863078 /nfs/dbraw/zinc/86/30/78/637863078.db2.gz GJCPUUVTBZZNDU-KRWDZBQOSA-N 1 0 275.392 3.010 20 10 CGCDRO C[C@@]12COC[C@H]1C[N@H+](Cc1c(O)ccc3ccccc31)C2 ZINC000853565977 637867975 /nfs/dbraw/zinc/86/79/75/637867975.db2.gz LGJMPWCOBGGRNS-RDTXWAMCSA-N 1 0 283.371 3.014 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@H+]2C[C@@H](C)O[C@@](C)(C(F)F)C2)c1 ZINC000853630092 637876945 /nfs/dbraw/zinc/87/69/45/637876945.db2.gz NJVFMHBQHZFDAY-MLGOLLRUSA-N 1 0 299.361 3.254 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)CCOc2ccccc2)cc1 ZINC000302738270 637906949 /nfs/dbraw/zinc/90/69/49/637906949.db2.gz LAURLHPWESKOCL-UHFFFAOYSA-N 1 0 284.403 3.263 20 10 CGCDRO COc1ccc(N2CC[C@@H](Nc3cc(C)ccn3)C2)cc1 ZINC000853759249 637911998 /nfs/dbraw/zinc/91/19/98/637911998.db2.gz QDMXVNFRGSHNQF-CQSZACIVSA-N 1 0 283.375 3.089 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)CCOC)cc1 ZINC000112018457 638026334 /nfs/dbraw/zinc/02/63/34/638026334.db2.gz JOKCNTRUPXTGDZ-AWEZNQCLSA-N 1 0 264.413 3.047 20 10 CGCDRO COc1cccc(C[NH2+]Cc2cc(C)ccc2O)c1OC ZINC000113324699 638200009 /nfs/dbraw/zinc/20/00/09/638200009.db2.gz CRAZPEQBGMAGEB-UHFFFAOYSA-N 1 0 287.359 3.008 20 10 CGCDRO C[C@H](Cc1ccccn1)[NH2+]CCCSc1nccs1 ZINC000925103055 638453657 /nfs/dbraw/zinc/45/36/57/638453657.db2.gz NZWMAGAQMLOZRQ-GFCCVEGCSA-N 1 0 293.461 3.241 20 10 CGCDRO Oc1cccc(Br)c1C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000858176874 638649350 /nfs/dbraw/zinc/64/93/50/638649350.db2.gz CRJNJSGYHMTXGF-NRUUGDAUSA-N 1 0 296.208 3.433 20 10 CGCDRO C/C=C/C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000858537978 638757418 /nfs/dbraw/zinc/75/74/18/638757418.db2.gz RHBZSJPPNUDAQH-ITDFMYJTSA-N 1 0 294.826 3.403 20 10 CGCDRO CCc1onc(C)c1C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000927133681 638846218 /nfs/dbraw/zinc/84/62/18/638846218.db2.gz CUCITWPVRGKRNT-SECBINFHSA-N 1 0 278.327 3.241 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)CC2CC(OC)C2)cc1 ZINC000859059096 639066893 /nfs/dbraw/zinc/06/68/93/639066893.db2.gz BMPLEVYFUJPHOM-UHFFFAOYSA-N 1 0 290.451 3.390 20 10 CGCDRO CC(=O)c1cc(Cl)cc(C[NH+](C2CC2)C2CC2)c1O ZINC000859623944 639176405 /nfs/dbraw/zinc/17/64/05/639176405.db2.gz VYZGPDUXMYILQZ-UHFFFAOYSA-N 1 0 279.767 3.375 20 10 CGCDRO CC[C@H](C)[C@](C)(O)C[NH2+][C@@H](CC)c1ccccc1O ZINC000155805370 639951924 /nfs/dbraw/zinc/95/19/24/639951924.db2.gz ULAAQNVYEHFHMS-DUVNUKRYSA-N 1 0 265.397 3.230 20 10 CGCDRO CCOC[C@H]([NH2+]Cc1cc(C)c(C)cc1O)C(C)C ZINC000188866413 640155246 /nfs/dbraw/zinc/15/52/46/640155246.db2.gz XYJLQXOGGYPOAU-HNNXBMFYSA-N 1 0 265.397 3.160 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]CC1(O)CCCCCC1 ZINC000079619412 640418643 /nfs/dbraw/zinc/41/86/43/640418643.db2.gz LCBLDEYFOGDKNF-UHFFFAOYSA-N 1 0 283.799 3.221 20 10 CGCDRO CC[C@H](C)C[C@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000088292497 640616245 /nfs/dbraw/zinc/61/62/45/640616245.db2.gz HAZYOUNXEHUUDQ-QWRGUYRKSA-N 1 0 265.353 3.035 20 10 CGCDRO Cc1noc(C)c1[C@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000092328231 640735248 /nfs/dbraw/zinc/73/52/48/640735248.db2.gz IWWOXVKWGKZOCS-UWVGGRQHSA-N 1 0 260.337 3.409 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H]2CCC[C@@H](O)C2)cc1 ZINC000247960484 640737961 /nfs/dbraw/zinc/73/79/61/640737961.db2.gz GDJFQCCVWKJWBL-RLFYNMQTSA-N 1 0 290.451 3.344 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)c1ccc(C)cc1O)[C@@H]1CCCO1 ZINC000248493938 640764461 /nfs/dbraw/zinc/76/44/61/640764461.db2.gz KFYCRKZQIBCTBE-INWMFGNUSA-N 1 0 263.381 3.309 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](C)N2CCC[C@@H](C)C2)c(O)c1 ZINC000248533483 640767007 /nfs/dbraw/zinc/76/70/07/640767007.db2.gz ZETVIJSWXYFOPS-PMPSAXMXSA-N 1 0 290.451 3.472 20 10 CGCDRO CC[C@@H](C)C[N@H+](CC)Cc1ccc(N2CCOCC2)cc1 ZINC000093844929 640782646 /nfs/dbraw/zinc/78/26/46/640782646.db2.gz FEGOMAFORXRBEN-MRXNPFEDSA-N 1 0 290.451 3.391 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCc3cc(N)ccc32)cc1 ZINC000094075173 640788941 /nfs/dbraw/zinc/78/89/41/640788941.db2.gz MGPLAYYLLPPYPI-GOSISDBHSA-N 1 0 281.403 3.112 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@H]2CC(C)(C)OC2(C)C)cc1 ZINC000094422805 640795569 /nfs/dbraw/zinc/79/55/69/640795569.db2.gz FLYWBDYLXUCZJC-HNNXBMFYSA-N 1 0 276.424 3.188 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)Cc1ccco1)c1cc(F)ccc1O ZINC000094617301 640798318 /nfs/dbraw/zinc/79/83/18/640798318.db2.gz ORCHQJPCVMAFKA-WDEREUQCSA-N 1 0 263.312 3.406 20 10 CGCDRO CC[C@@H]([NH2+]CCc1cccc(C)n1)c1ccccc1O ZINC000280007264 641034391 /nfs/dbraw/zinc/03/43/91/641034391.db2.gz GKFWXXCFPGKYCQ-MRXNPFEDSA-N 1 0 270.376 3.379 20 10 CGCDRO Nc1ccc(Cc2ccc(NC3=C[NH2+]CCC3)cc2)cc1 ZINC001159704381 806156173 /nfs/dbraw/zinc/15/61/73/806156173.db2.gz ZAPPDVYYYCWWKH-UHFFFAOYSA-N 1 0 279.387 3.496 20 10 CGCDRO Nc1ccc(Nc2ccc(O[C@H]3CCC[NH2+]C3)cc2)cc1 ZINC001159948573 806203174 /nfs/dbraw/zinc/20/31/74/806203174.db2.gz ILFZPHXPXFKRIP-KRWDZBQOSA-N 1 0 283.375 3.143 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)Cc2ccco2)c1 ZINC000036993775 798854253 /nfs/dbraw/zinc/85/42/53/798854253.db2.gz CEELXWCVTMDKIU-NWDGAFQWSA-N 1 0 275.348 3.276 20 10 CGCDRO CC(C)COCCC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000037234150 798863719 /nfs/dbraw/zinc/86/37/19/798863719.db2.gz ZTMXKUZUBCPPIC-OAHLLOKOSA-N 1 0 278.440 3.466 20 10 CGCDRO COc1ccc(O)c(C[NH2+]CC(C)(C)c2ccccc2)c1 ZINC000037934818 798880652 /nfs/dbraw/zinc/88/06/52/798880652.db2.gz DJQQBVXHROXXNU-UHFFFAOYSA-N 1 0 285.387 3.468 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCc3ccccc3C2)c(O)c1 ZINC000258044387 799174546 /nfs/dbraw/zinc/17/45/46/799174546.db2.gz DYFAAKXQMJCLSA-UHFFFAOYSA-N 1 0 253.345 3.259 20 10 CGCDRO CO[C@H]1CC[N@H+](Cc2c(O)cccc2Cl)[C@H](C)C1 ZINC000305919984 799213234 /nfs/dbraw/zinc/21/32/34/799213234.db2.gz GWLMSQZFKRWJNH-MNOVXSKESA-N 1 0 269.772 3.045 20 10 CGCDRO CC1(C)CCC[C@H]1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000388945848 799458696 /nfs/dbraw/zinc/45/86/96/799458696.db2.gz SSTQGHQCLNNDFJ-LBPRGKRZSA-N 1 0 277.364 3.037 20 10 CGCDRO Cc1csc([C@@H](C)[NH2+][C@@H]2CCc3cccc(O)c32)n1 ZINC000389192476 799461041 /nfs/dbraw/zinc/46/10/41/799461041.db2.gz ORTLNUSFXHIZPX-ZYHUDNBSSA-N 1 0 274.389 3.495 20 10 CGCDRO CC[C@H](C)[C@H](C[NH2+]Cc1c(O)cccc1Cl)OC ZINC000394480908 799496791 /nfs/dbraw/zinc/49/67/91/799496791.db2.gz LDTLXFDMECOERQ-HZMBPMFUSA-N 1 0 271.788 3.196 20 10 CGCDRO CCOc1cccc(C[NH2+]C[C@H](C)CC(F)(F)F)c1O ZINC000396931832 799511504 /nfs/dbraw/zinc/51/15/04/799511504.db2.gz AQOGIGKAYGYHLV-SNVBAGLBSA-N 1 0 291.313 3.469 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CS[C@@H](C)C2)c(O)c1 ZINC000397866232 799522311 /nfs/dbraw/zinc/52/23/11/799522311.db2.gz AFNZDVGMLNTFRK-SRVKXCTJSA-N 1 0 251.395 3.245 20 10 CGCDRO C[C@H]([NH2+]CCC[C@H]1CCOC1)c1ccc(N(C)C)cc1 ZINC000402250819 799560910 /nfs/dbraw/zinc/56/09/10/799560910.db2.gz ABQPBHWHDZITAQ-GJZGRUSLSA-N 1 0 276.424 3.220 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CC[C@H]3C[C@H]3C2)c1O ZINC000403409027 799566751 /nfs/dbraw/zinc/56/67/51/799566751.db2.gz PZBONUGKBWLRQP-OUJBWJOFSA-N 1 0 281.783 3.332 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCN2C(C)(C)C)c1 ZINC000690375363 799775692 /nfs/dbraw/zinc/77/56/92/799775692.db2.gz NUFKLPMFRXHTKK-KBPBESRZSA-N 1 0 276.424 3.224 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H](C)CC(F)(F)F)c1O ZINC000691491046 799785764 /nfs/dbraw/zinc/78/57/64/799785764.db2.gz BGTHSBSURSUWMJ-VIFPVBQESA-N 1 0 261.287 3.385 20 10 CGCDRO COc1ccc(C[NH2+]C[C@H]2CCC(C)(C)O2)cc1C ZINC000691815057 799788835 /nfs/dbraw/zinc/78/88/35/799788835.db2.gz RMQYPAYNORSQPT-CQSZACIVSA-N 1 0 263.381 3.051 20 10 CGCDRO CO[C@H](C[NH2+]Cc1cc(Cl)ccc1O)C1CCCC1 ZINC000692951354 799804807 /nfs/dbraw/zinc/80/48/07/799804807.db2.gz KCKOWMPASGTFAY-OAHLLOKOSA-N 1 0 283.799 3.340 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CCC2SCCS2)cc1 ZINC000693802006 799816629 /nfs/dbraw/zinc/81/66/29/799816629.db2.gz IFTKCCGJYPSTEG-UHFFFAOYSA-N 1 0 282.478 3.038 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCN(C(C)(C)C)C2)c1 ZINC000693887823 799817315 /nfs/dbraw/zinc/81/73/15/799817315.db2.gz KHIDGJGYDXYEEH-ZIAGYGMSSA-N 1 0 276.424 3.224 20 10 CGCDRO C[C@H](Cc1ccccn1)[NH2+]Cc1cc(Cl)ccc1O ZINC000694063433 799820073 /nfs/dbraw/zinc/82/00/73/799820073.db2.gz HDKJCMIFDGQRFE-LLVKDONJSA-N 1 0 276.767 3.161 20 10 CGCDRO CCc1cccc(C[NH2+]C2C[C@H](C)O[C@@H](C)C2)c1O ZINC000694772918 799823955 /nfs/dbraw/zinc/82/39/55/799823955.db2.gz LWEHHRBQRXJVDI-RYUDHWBXSA-N 1 0 263.381 3.000 20 10 CGCDRO CC(C)OC1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000695088494 799825280 /nfs/dbraw/zinc/82/52/80/799825280.db2.gz BLHAXYZJECLXIE-UHFFFAOYSA-N 1 0 283.799 3.435 20 10 CGCDRO C[C@H]([NH2+]CCCOC(C)(C)C)c1cc(F)ccc1O ZINC000695286524 799829974 /nfs/dbraw/zinc/82/99/74/799829974.db2.gz XLTWUXUCDUWTQS-NSHDSACASA-N 1 0 269.360 3.387 20 10 CGCDRO CCOc1cccc(C[NH2+]C[C@H](C)CC(F)F)c1O ZINC000697684534 799848760 /nfs/dbraw/zinc/84/87/60/799848760.db2.gz OKRROYNDUFLEHK-SNVBAGLBSA-N 1 0 273.323 3.172 20 10 CGCDRO C[C@H](C[NH2+]Cc1cc(Cl)ccc1O)CC(F)F ZINC000697720261 799848836 /nfs/dbraw/zinc/84/88/36/799848836.db2.gz UIBNRNPLOXBLSO-QMMMGPOBSA-N 1 0 263.715 3.427 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]C[C@H](C)CC(F)F)c1O ZINC000697696548 799848852 /nfs/dbraw/zinc/84/88/52/799848852.db2.gz HXWQSZGNRQITTB-MRVPVSSYSA-N 1 0 293.741 3.435 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)c1ccc(N(C)C)cc1 ZINC000697966396 799851870 /nfs/dbraw/zinc/85/18/70/799851870.db2.gz OOIAPLLGOBPIOF-LUYZLQTOSA-N 1 0 258.409 3.449 20 10 CGCDRO CCOc1cccc(C[NH2+]CCC(C)(C)F)c1O ZINC000700597823 799875201 /nfs/dbraw/zinc/87/52/01/799875201.db2.gz BIHBMYJDUWJEOI-UHFFFAOYSA-N 1 0 255.333 3.019 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]CC[C@@H]1CCSC1 ZINC000704773419 799939713 /nfs/dbraw/zinc/93/97/13/799939713.db2.gz CFHOLAORCZYWLM-SNVBAGLBSA-N 1 0 271.813 3.278 20 10 CGCDRO C[C@H]([NH2+]CC[C@@H]1CCSC1)c1ccccc1O ZINC000704919337 799944230 /nfs/dbraw/zinc/94/42/30/799944230.db2.gz SLWXGQPQCXISNM-NWDGAFQWSA-N 1 0 251.395 3.186 20 10 CGCDRO CC[C@@H]1CC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000707136572 799972901 /nfs/dbraw/zinc/97/29/01/799972901.db2.gz SRRJORKLEGOJCC-SNVBAGLBSA-N 1 0 284.197 3.387 20 10 CGCDRO CCCC[N@H+](C)Cc1c(O)cccc1Br ZINC000707130168 799974018 /nfs/dbraw/zinc/97/40/18/799974018.db2.gz ZOOXYRBRDNJJPU-UHFFFAOYSA-N 1 0 272.186 3.387 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@H]1CCC3(CCC3)O1)CC2 ZINC000711447126 800059181 /nfs/dbraw/zinc/05/91/81/800059181.db2.gz HREFIKRTKYSXHR-KGLIPLIRSA-N 1 0 273.376 3.071 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC3(CCC3)O2)c(O)c1 ZINC000711454222 800059528 /nfs/dbraw/zinc/05/95/28/800059528.db2.gz AQXBMLGOZGSGJY-KBPBESRZSA-N 1 0 275.392 3.453 20 10 CGCDRO COC(C)(C)CC[NH2+][C@H](C)c1ccc(C)cc1O ZINC000711883891 800078829 /nfs/dbraw/zinc/07/88/29/800078829.db2.gz KGXWFSUSHOLEFT-GFCCVEGCSA-N 1 0 251.370 3.166 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H]2C[C@H](OC)C23CCC3)c1O ZINC000713464331 800109709 /nfs/dbraw/zinc/10/97/09/800109709.db2.gz MAOCAHFBPQBIAP-CABCVRRESA-N 1 0 275.392 3.002 20 10 CGCDRO CO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(C)cc2O)C12CCC2 ZINC000713481860 800110425 /nfs/dbraw/zinc/11/04/25/800110425.db2.gz ZAPGRRHDIUHNDQ-APHBMKBZSA-N 1 0 275.392 3.309 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](OC)C23CCC3)cc1C ZINC000713482008 800111082 /nfs/dbraw/zinc/11/10/82/800111082.db2.gz ZVROUAITFFGFDX-HZPDHXFCSA-N 1 0 275.392 3.051 20 10 CGCDRO C[NH+](C)C1(C)CCC([NH2+]Cc2cccc(Cl)c2[O-])CC1 ZINC000715580317 800140386 /nfs/dbraw/zinc/14/03/86/800140386.db2.gz LHXTUDARSQMHGZ-UHFFFAOYSA-N 1 0 296.842 3.398 20 10 CGCDRO c1cc(C[NH2+]CC[C@@H]2CC[C@@H]3C[C@@H]32)cc2c1OCC2 ZINC000717046356 800190969 /nfs/dbraw/zinc/19/09/69/800190969.db2.gz HBZNHZBRLUVMHN-SQWLQELKSA-N 1 0 257.377 3.147 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C2(C3CCC3)CCC2)c1 ZINC000717839463 800205784 /nfs/dbraw/zinc/20/57/84/800205784.db2.gz YWKYCEOUNDCSSW-UHFFFAOYSA-N 1 0 261.365 3.213 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C2(C)CC(F)(F)C2)cc1 ZINC000720948872 800273529 /nfs/dbraw/zinc/27/35/29/800273529.db2.gz FSJSRZITCWOFFN-UHFFFAOYSA-N 1 0 254.324 3.030 20 10 CGCDRO c1ccc([C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C2CC2)nc1 ZINC000922586015 800619045 /nfs/dbraw/zinc/61/90/45/800619045.db2.gz JHFBLKFEIDXKBH-SFHVURJKSA-N 1 0 280.371 3.257 20 10 CGCDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)[C@H]1CCSC1 ZINC001116439637 802350135 /nfs/dbraw/zinc/35/01/35/802350135.db2.gz LBOPEUNSDBGDPD-INIZCTEOSA-N 1 0 276.449 3.224 20 10 CGCDRO Oc1c(Cl)cc(Br)cc1Nc1cc[nH+]cc1 ZINC001173885110 808740009 /nfs/dbraw/zinc/74/00/09/808740009.db2.gz JMCGQGCMCFHFBR-UHFFFAOYSA-N 1 0 299.555 3.369 20 10 CGCDRO COc1cccc(F)c1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC001120261206 802737377 /nfs/dbraw/zinc/73/73/77/802737377.db2.gz ZYXMAZKYHCTNKU-AWEZNQCLSA-N 1 0 287.334 3.317 20 10 CGCDRO Nc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)cc1 ZINC001120371443 802742585 /nfs/dbraw/zinc/74/25/85/802742585.db2.gz GDLULIAWERUTCA-NVXWUHKLSA-N 1 0 274.408 3.050 20 10 CGCDRO CC(C)c1cc([C@@H]2CCC[N@H+](Cc3ccc(N)cc3)C2)[nH]n1 ZINC001120371607 802742725 /nfs/dbraw/zinc/74/27/25/802742725.db2.gz KTQMPJCKFDUMTA-OAHLLOKOSA-N 1 0 298.434 3.495 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCc3cccc(O)c3C2)c1F ZINC001137678922 803756280 /nfs/dbraw/zinc/75/62/80/803756280.db2.gz UCDJTJWELMJCCO-UHFFFAOYSA-N 1 0 271.335 3.398 20 10 CGCDRO Cc1cc(C[N@@H+]2CC[C@](C)(CO)C2)c(C)n1-c1ccccc1 ZINC001137854496 803786583 /nfs/dbraw/zinc/78/65/83/803786583.db2.gz YXYRMEUKPPLSMW-IBGZPJMESA-N 1 0 298.430 3.298 20 10 CGCDRO CC[N@H+](CCN(C)C)Cc1ccc(N2CCCCC2)cc1 ZINC001138213834 803874228 /nfs/dbraw/zinc/87/42/28/803874228.db2.gz BNEOTJHUMLADHP-UHFFFAOYSA-N 1 0 289.467 3.060 20 10 CGCDRO CO[C@@H](C)C1C[NH+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC001138222041 803874302 /nfs/dbraw/zinc/87/43/02/803874302.db2.gz CUVAREVNEYHBAI-HNNXBMFYSA-N 1 0 288.435 3.144 20 10 CGCDRO c1cc(N2CCCCC2)ccc1C[NH+]1CC2(CSC2)C1 ZINC001138222162 803874335 /nfs/dbraw/zinc/87/43/35/803874335.db2.gz JIGYCADPEDCXHO-UHFFFAOYSA-N 1 0 288.460 3.226 20 10 CGCDRO Cc1c(C[N@@H+]2CCC(=O)[C@H](C)CC2)c2ccccc2n1C ZINC001138252604 803879614 /nfs/dbraw/zinc/87/96/14/803879614.db2.gz NDEWYLBSEUOZSO-CYBMUJFWSA-N 1 0 284.403 3.288 20 10 CGCDRO Cc1c(CN2CC[N@@H+]3CCCC[C@H]3C2)c2ccccc2n1C ZINC001138256781 803882309 /nfs/dbraw/zinc/88/23/09/803882309.db2.gz KMZYFGPESGVXCV-INIZCTEOSA-N 1 0 297.446 3.157 20 10 CGCDRO Oc1c(C[NH+]2CCCCC2)cc2c3c1CCCN3CCC2 ZINC001138335781 803899401 /nfs/dbraw/zinc/89/94/01/803899401.db2.gz AJBQFZBYSLOBIV-UHFFFAOYSA-N 1 0 286.419 3.077 20 10 CGCDRO Oc1c(C[NH+]2CC3(CCC3)C2)cc2c3c1CCCN3CCC2 ZINC001138338954 803899670 /nfs/dbraw/zinc/89/96/70/803899670.db2.gz XOGVSIMSEOTBCB-UHFFFAOYSA-N 1 0 298.430 3.077 20 10 CGCDRO CN1CCCc2cc(C[NH+]3CCC(F)CC3)ccc21 ZINC001138354230 803900552 /nfs/dbraw/zinc/90/05/52/803900552.db2.gz BQFXNSASTNCCFY-UHFFFAOYSA-N 1 0 262.372 3.003 20 10 CGCDRO CN1CCCc2cc(C[N@@H+]3CCC[C@@H](CF)C3)ccc21 ZINC001138357823 803903091 /nfs/dbraw/zinc/90/30/91/803903091.db2.gz LVMYZEIMCKLHPJ-HNNXBMFYSA-N 1 0 276.399 3.251 20 10 CGCDRO CN1CCCc2cc(C[N@@H+]3CCCOC(C)(C)C3)ccc21 ZINC001138358793 803903357 /nfs/dbraw/zinc/90/33/57/803903357.db2.gz ZZTDAGWQSGQKSZ-UHFFFAOYSA-N 1 0 288.435 3.070 20 10 CGCDRO CC[C@@H]1CCC[N@@H+]1Cc1ccc2c(c1)CCCN2C ZINC001138358675 803903433 /nfs/dbraw/zinc/90/34/33/803903433.db2.gz XGANGWYMPXFKBY-MRXNPFEDSA-N 1 0 258.409 3.443 20 10 CGCDRO CCN(CC)c1ccc(C[NH+](CC)CC)c(OC)c1 ZINC001138388253 803912532 /nfs/dbraw/zinc/91/25/32/803912532.db2.gz UKIUXXTVIZFBDZ-UHFFFAOYSA-N 1 0 264.413 3.383 20 10 CGCDRO COc1c(F)cc(C[N@H+](C)Cc2ccccc2O)cc1F ZINC001138424750 803929891 /nfs/dbraw/zinc/92/98/91/803929891.db2.gz DHNGWIMVRRSMNE-UHFFFAOYSA-N 1 0 293.313 3.311 20 10 CGCDRO Cc1cc(C[N@@H+]2CC[C@@](C)(F)[C@H](F)C2)ccc1N(C)C ZINC001139669616 804246767 /nfs/dbraw/zinc/24/67/67/804246767.db2.gz DLUNKFJSEUKREA-HZPDHXFCSA-N 1 0 282.378 3.333 20 10 CGCDRO Cc1cc(C[N@@H+]2CCC[C@@H](F)CC2)ccc1N(C)C ZINC001139669695 804247391 /nfs/dbraw/zinc/24/73/91/804247391.db2.gz HTNQZYCZZAAIIP-OAHLLOKOSA-N 1 0 264.388 3.385 20 10 CGCDRO Cc1ccc2c(c1)C[C@@H]([NH2+]CCc1ccc(N)cc1)CC2 ZINC001246465697 804345844 /nfs/dbraw/zinc/34/58/44/804345844.db2.gz LHMCMSRAATWKID-IBGZPJMESA-N 1 0 280.415 3.267 20 10 CGCDRO C[N@@H+](Cc1c(O)cccc1Br)CC1CCC1 ZINC001140100976 804377334 /nfs/dbraw/zinc/37/73/34/804377334.db2.gz GMFFXJKZPBDGNR-UHFFFAOYSA-N 1 0 284.197 3.387 20 10 CGCDRO COC(C)(C)[C@H]1CCC[N@@H+]1Cc1c(C)ccc(C)c1O ZINC001140182087 804397126 /nfs/dbraw/zinc/39/71/26/804397126.db2.gz IJLVVAGTIRBLEO-OAHLLOKOSA-N 1 0 277.408 3.398 20 10 CGCDRO CC[N@H+](Cc1ccc(O)c(C)c1)Cc1ccccc1O ZINC001140576855 804464728 /nfs/dbraw/zinc/46/47/28/804464728.db2.gz BXGSLEHHYHCBER-UHFFFAOYSA-N 1 0 271.360 3.428 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2c([O-])cc(F)cc2F)C2(CC2)C1 ZINC001140584627 804468715 /nfs/dbraw/zinc/46/87/15/804468715.db2.gz ZQHPPLRNQUBCJU-VIFPVBQESA-N 1 0 253.292 3.045 20 10 CGCDRO Cc1ccc(O)c(C[NH+]2CCC3(CC(F)(F)CO3)CC2)c1 ZINC001140619562 804476895 /nfs/dbraw/zinc/47/68/95/804476895.db2.gz HTSUYEKCYXZSIO-UHFFFAOYSA-N 1 0 297.345 3.091 20 10 CGCDRO CC(=O)c1ccc2c(c1)C[N@@H+](Cc1cc(C)ccc1O)CC2 ZINC001140623812 804477757 /nfs/dbraw/zinc/47/77/57/804477757.db2.gz SLZPFHKMKUBFPD-UHFFFAOYSA-N 1 0 295.382 3.462 20 10 CGCDRO Cc1c(O)ccc(C[NH+]2CCC(C(F)(F)F)CC2)c1O ZINC001140744156 804503407 /nfs/dbraw/zinc/50/34/07/804503407.db2.gz NLBLKLMBHRCIJR-UHFFFAOYSA-N 1 0 289.297 3.181 20 10 CGCDRO Cc1c(O)ccc(C[NH+]2CCC(C(C)C)CC2)c1O ZINC001140747635 804504416 /nfs/dbraw/zinc/50/44/16/804504416.db2.gz FEZTYSVJHSMRJP-UHFFFAOYSA-N 1 0 263.381 3.274 20 10 CGCDRO Cc1c(O)ccc(C[N@H+](C)Cc2ccc(F)cc2F)c1O ZINC001140748160 804504470 /nfs/dbraw/zinc/50/44/70/804504470.db2.gz SNIWFNDMAUXWHO-UHFFFAOYSA-N 1 0 293.313 3.316 20 10 CGCDRO Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccc(C)cc3O)C2)nc1 ZINC001140954449 804558041 /nfs/dbraw/zinc/55/80/41/804558041.db2.gz RWUZTMKYFVXXAO-MRXNPFEDSA-N 1 0 298.386 3.057 20 10 CGCDRO CN1CCOc2cc(C[N@@H+]3CCC[C@@H]4CCC[C@@H]43)ccc21 ZINC001141143524 804596520 /nfs/dbraw/zinc/59/65/20/804596520.db2.gz CHSKSPFUKXVADO-HOTGVXAUSA-N 1 0 286.419 3.280 20 10 CGCDRO CCC1CC[NH+](Cc2ccc3c(c2)OCCN3C)CC1 ZINC001141141445 804597229 /nfs/dbraw/zinc/59/72/29/804597229.db2.gz YSODHXFOGDGAJE-UHFFFAOYSA-N 1 0 274.408 3.137 20 10 CGCDRO COc1ccc([C@H](C)[N@H+](C)Cc2cc(O)ccc2O)cc1 ZINC001141159190 804600241 /nfs/dbraw/zinc/60/02/41/804600241.db2.gz ASPWYCWCFXGJIA-LBPRGKRZSA-N 1 0 287.359 3.299 20 10 CGCDRO C[N@@H+](Cc1cc(F)c(F)cc1[O-])C[C@@H]1CC1(C)C ZINC001142527558 804734148 /nfs/dbraw/zinc/73/41/48/804734148.db2.gz ZBIZKQWJPCJNND-JTQLQIEISA-N 1 0 255.308 3.148 20 10 CGCDRO CC[N@H+](Cc1ccnc2[nH]ccc21)Cc1ccccc1O ZINC001142882771 804780819 /nfs/dbraw/zinc/78/08/19/804780819.db2.gz XSEUIRDHNALIPO-UHFFFAOYSA-N 1 0 281.359 3.291 20 10 CGCDRO CC(C)(C)c1cccc(C[N@@H+]2CC[C@@H]3CCO[C@H]3C2)c1O ZINC001143104075 804801643 /nfs/dbraw/zinc/80/16/43/804801643.db2.gz BGHQNKOVNIXNIV-CJNGLKHVSA-N 1 0 289.419 3.301 20 10 CGCDRO C[C@@H]1CCC[N@H+](Cc2cccc(C(C)(C)C)c2O)[C@@H]1CO ZINC001143103532 804802358 /nfs/dbraw/zinc/80/23/58/804802358.db2.gz FISLURWXWAONBZ-CZUORRHYSA-N 1 0 291.435 3.283 20 10 CGCDRO CC[C@@H]1COCC[N@@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001143112295 804804116 /nfs/dbraw/zinc/80/41/16/804804116.db2.gz PAAHGZRZXASXSI-CQSZACIVSA-N 1 0 277.408 3.301 20 10 CGCDRO CCCCCC[C@@H](C)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001257354867 807120227 /nfs/dbraw/zinc/12/02/27/807120227.db2.gz OTKGTEVXKBTJBE-MLGOLLRUSA-N 1 0 281.396 3.080 20 10 CGCDRO C[C@H]1C[C@H]([NH2+]CCc2ccc(O)c(O)c2)C[C@@H](C)C1 ZINC001258150479 807319415 /nfs/dbraw/zinc/31/94/15/807319415.db2.gz ADOZALXHOHUBIP-IMRBUKKESA-N 1 0 263.381 3.055 20 10 CGCDRO Cc1cc(C)c(C[NH2+][C@H](C)Cc2ccco2)c(O)c1 ZINC001258181049 807344592 /nfs/dbraw/zinc/34/45/92/807344592.db2.gz IAAYHGFMCUQRJG-CYBMUJFWSA-N 1 0 259.349 3.323 20 10 CGCDRO CSC(C)(C)C[C@@H](C)[NH2+]Cc1ccc(O)c(O)c1 ZINC001258326474 807410636 /nfs/dbraw/zinc/41/06/36/807410636.db2.gz JSWXVFVXEUYKFM-SNVBAGLBSA-N 1 0 269.410 3.108 20 10 CGCDRO Oc1cccc2c1C[N@@H+]([C@@H]1CCc3cc(F)ccc3C1)CC2 ZINC001168444089 807417811 /nfs/dbraw/zinc/41/78/11/807417811.db2.gz FSKRZHIEXAUBJM-QGZVFWFLSA-N 1 0 297.373 3.447 20 10 CGCDRO C[C@H](Cc1cccnc1)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001258610636 807507348 /nfs/dbraw/zinc/50/73/48/807507348.db2.gz SJYCNIXMILYKSF-MRXNPFEDSA-N 1 0 295.430 3.403 20 10 CGCDRO C[C@H](Cc1cccnc1)[NH2+][C@@H](C)c1ccccc1O ZINC001258614737 807511319 /nfs/dbraw/zinc/51/13/19/807511319.db2.gz UWUPNTJXTVRDPK-OLZOCXBDSA-N 1 0 256.349 3.069 20 10 CGCDRO COc1ccc(N2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)cc1 ZINC001258817587 807634853 /nfs/dbraw/zinc/63/48/53/807634853.db2.gz XCZRANHXWCRDOZ-RDJZCZTQSA-N 1 0 288.435 3.396 20 10 CGCDRO CN(C)c1ccc(CC[NH2+][C@H]2CCc3cccc(O)c32)cc1 ZINC001261276360 807729139 /nfs/dbraw/zinc/72/91/39/807729139.db2.gz GBZYXISJHBDWSU-KRWDZBQOSA-N 1 0 296.414 3.278 20 10 CGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]C[C@H]1CCCC[C@@H]1O ZINC001261277909 807730676 /nfs/dbraw/zinc/73/06/76/807730676.db2.gz OYADKOKSFHIZOZ-XGUBFFRZSA-N 1 0 289.419 3.390 20 10 CGCDRO CCc1cccc(C[NH2+]CCCc2nc(C)cs2)c1O ZINC001261559739 807757942 /nfs/dbraw/zinc/75/79/42/807757942.db2.gz XNEATHIQWTXNPY-UHFFFAOYSA-N 1 0 290.432 3.442 20 10 CGCDRO CCOc1ccc(N2CC[NH+]([C@H]3CC[C@H](C)C3)CC2)cc1 ZINC001170157621 807780231 /nfs/dbraw/zinc/78/02/31/807780231.db2.gz LCKKFZXFRQPFKF-RDJZCZTQSA-N 1 0 288.435 3.396 20 10 CGCDRO Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(N)cc1)CC2 ZINC001262488007 807867388 /nfs/dbraw/zinc/86/73/88/807867388.db2.gz MXZRQQIIWFDFGL-QGZVFWFLSA-N 1 0 252.361 3.354 20 10 CGCDRO Oc1ccccc1C[NH2+][C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170660139 807870648 /nfs/dbraw/zinc/87/06/48/807870648.db2.gz SYRWWYRSWPBKDU-AWEZNQCLSA-N 1 0 289.325 3.318 20 10 CGCDRO Cc1cccc2c1CC[C@@H]([NH2+]Cc1ccc(O)cc1O)C2 ZINC001171552857 808093207 /nfs/dbraw/zinc/09/32/07/808093207.db2.gz IQULAJVJBJCISA-OAHLLOKOSA-N 1 0 283.371 3.053 20 10 CGCDRO CC(C)COCC[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC001172461479 808331955 /nfs/dbraw/zinc/33/19/55/808331955.db2.gz GUUQAYPCRTVYJJ-OAHLLOKOSA-N 1 0 278.440 3.293 20 10 CGCDRO COc1cccc2c1C[C@@H]([NH2+][C@@H](C)c1ccccc1O)CO2 ZINC001173150851 808527161 /nfs/dbraw/zinc/52/71/61/808527161.db2.gz HVZHMAVIHPQASV-QWHCGFSZSA-N 1 0 299.370 3.055 20 10 CGCDRO Oc1cc(Cl)c(Cl)cc1Nc1cc[nH+]cc1 ZINC001173883219 808738119 /nfs/dbraw/zinc/73/81/19/808738119.db2.gz KPIMELQKKKXNOG-UHFFFAOYSA-N 1 0 255.104 3.260 20 10 CGCDRO COc1ccc(N2CCC[C@]3(CCC[N@H+](C)C3)C2)c(C)c1 ZINC001277019246 809054316 /nfs/dbraw/zinc/05/43/16/809054316.db2.gz XOUOKUFPMJDFOW-SFHVURJKSA-N 1 0 288.435 3.316 20 10 CGCDRO Fc1ccccc1CC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001177108974 809781198 /nfs/dbraw/zinc/78/11/98/809781198.db2.gz UMTDULGTQROXBL-UHFFFAOYSA-N 1 0 285.362 3.483 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@H](CO)CC2CC2)cc1C ZINC001178615849 809879328 /nfs/dbraw/zinc/87/93/28/809879328.db2.gz YXQPURRSWBGRCR-INIZCTEOSA-N 1 0 277.408 3.034 20 10 CGCDRO CCCN(CCC)c1ccc(C[NH2+][C@H]2CCOC2)cc1 ZINC001179793245 809945490 /nfs/dbraw/zinc/94/54/90/809945490.db2.gz HUYKHJOSFSNVFM-INIZCTEOSA-N 1 0 276.424 3.192 20 10 CGCDRO CCc1cccc(C[NH2+][C@H]2CCc3ccccc3OC2)c1O ZINC001181195890 810042984 /nfs/dbraw/zinc/04/29/84/810042984.db2.gz FFMXGANJGIHKHT-KRWDZBQOSA-N 1 0 297.398 3.438 20 10 CGCDRO Oc1cc(Cl)ccc1C[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC001181741669 810069013 /nfs/dbraw/zinc/06/90/13/810069013.db2.gz TZDIIDRAVWPZKI-ZFWWWQNUSA-N 1 0 281.783 3.189 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+][C@@H](C)CCCCO)c1 ZINC001181913388 810084455 /nfs/dbraw/zinc/08/44/55/810084455.db2.gz OJGFIBVCUUIBJL-ZDUSSCGKSA-N 1 0 265.397 3.156 20 10 CGCDRO CCC(O)(CC)C(C)(C)[NH2+]Cc1ccc(N(C)C)c(C)c1 ZINC001197156008 811403477 /nfs/dbraw/zinc/40/34/77/811403477.db2.gz KZGYKFZCDLRTHG-UHFFFAOYSA-N 1 0 292.467 3.480 20 10 CGCDRO CN(C)c1cc(F)c(C[NH2+]CC2CCCC2)cc1F ZINC001199227772 811565609 /nfs/dbraw/zinc/56/56/09/811565609.db2.gz MHIDCBPUUQMRIA-UHFFFAOYSA-N 1 0 268.351 3.311 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CC[C@@H](O)C2CCCC2)c(Cl)c1 ZINC001203428019 812355992 /nfs/dbraw/zinc/35/59/92/812355992.db2.gz KSLLLHRYCMNAJR-OAHLLOKOSA-N 1 0 297.826 3.385 20 10 CGCDRO CCOc1cccc(C[NH+]2CC3(C2)CC(F)(F)C3)c1O ZINC001203602239 812405211 /nfs/dbraw/zinc/40/52/11/812405211.db2.gz KYIUKOVYVYZNSQ-UHFFFAOYSA-N 1 0 283.318 3.022 20 10 CGCDRO COc1ccc(C[N@@H+]2CCc3ccc(C)cc3C2)c(O)c1 ZINC001203621279 812409862 /nfs/dbraw/zinc/40/98/62/812409862.db2.gz RAPDORAEXNMCAI-UHFFFAOYSA-N 1 0 283.371 3.268 20 10 CGCDRO COc1ccc(CN2Cc3ccc(F)cc3C2)c(O)c1 ZINC001203627624 812410901 /nfs/dbraw/zinc/41/09/01/812410901.db2.gz MBUIDKVGMDLRMG-UHFFFAOYSA-N 1 0 273.307 3.056 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC001203657693 812418416 /nfs/dbraw/zinc/41/84/16/812418416.db2.gz MGLKRHTZMNKTAH-ZDUSSCGKSA-N 1 0 288.778 3.430 20 10 CGCDRO COc1ccc([C@H](C)[N@H+](C)Cc2ccc(O)c(O)c2)cc1 ZINC001203879210 812478664 /nfs/dbraw/zinc/47/86/64/812478664.db2.gz GYNNDIZQXHPZTE-LBPRGKRZSA-N 1 0 287.359 3.299 20 10 CGCDRO Oc1ccc(C[N@@H+]2CC[C@H](Cc3ccccc3)C2)cc1O ZINC001203882496 812479955 /nfs/dbraw/zinc/47/99/55/812479955.db2.gz JICZOEQJHYKKMD-MRXNPFEDSA-N 1 0 283.371 3.162 20 10 CGCDRO CN(C)c1ccc(C[N@H+]2C[C@H]3[C@H](CCC3(F)F)C2)cc1 ZINC001203930839 812494017 /nfs/dbraw/zinc/49/40/17/812494017.db2.gz JIILOISNABJUBT-HIFRSBDPSA-N 1 0 280.362 3.230 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](F)C2)cc1 ZINC001203939916 812497288 /nfs/dbraw/zinc/49/72/88/812497288.db2.gz YTJRZOJGKNXDLV-HNNXBMFYSA-N 1 0 264.388 3.467 20 10 CGCDRO CCN(CC)c1ccc(CN2CCC[N@H+](CC)CC2)cc1 ZINC001203937297 812497517 /nfs/dbraw/zinc/49/75/17/812497517.db2.gz UEYJAXICHSMLQP-UHFFFAOYSA-N 1 0 289.467 3.060 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](C)[C@@](C)(O)C2)cc1 ZINC001203937313 812497763 /nfs/dbraw/zinc/49/77/63/812497763.db2.gz UTWHIVDYKOBFAL-QAPCUYQASA-N 1 0 290.451 3.126 20 10 CGCDRO CCN1CC[NH+](Cc2ccc(N(C)C)c3ccccc23)CC1 ZINC001204233005 812579819 /nfs/dbraw/zinc/57/98/19/812579819.db2.gz NAVTYOHGAXTFRT-UHFFFAOYSA-N 1 0 297.446 3.043 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2CO3)c2ccccc21 ZINC001204241163 812584156 /nfs/dbraw/zinc/58/41/56/812584156.db2.gz YHDNNEADSYWLHK-HZPDHXFCSA-N 1 0 296.414 3.269 20 10 CGCDRO C[N@H+](CCc1cccc(Cl)c1)Cc1ccc(O)cc1O ZINC001204278684 812594295 /nfs/dbraw/zinc/59/42/95/812594295.db2.gz IBYWBCCQXVBNAX-UHFFFAOYSA-N 1 0 291.778 3.426 20 10 CGCDRO C[N@H+](Cc1ccc(O)cc1O)Cc1cccc2cccnc21 ZINC001204275548 812594920 /nfs/dbraw/zinc/59/49/20/812594920.db2.gz WGPNANPXIWYHEO-UHFFFAOYSA-N 1 0 294.354 3.278 20 10 CGCDRO CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001204328020 812614006 /nfs/dbraw/zinc/61/40/06/812614006.db2.gz AWPNHMKPONWSPT-KRWDZBQOSA-N 1 0 288.435 3.022 20 10 CGCDRO COc1cc(C[N@H+](C)[C@@H]2CCc3ccccc32)cc(O)c1O ZINC001204349940 812618134 /nfs/dbraw/zinc/61/81/34/812618134.db2.gz DLGYFBIVTDVNAD-OAHLLOKOSA-N 1 0 299.370 3.226 20 10 CGCDRO C[C@H](CC[NH2+]Cc1ccc(Cl)cc1[O-])[NH+]1CCCCC1 ZINC001205390762 812977012 /nfs/dbraw/zinc/97/70/12/812977012.db2.gz DCPIFHMWFQGDEV-CYBMUJFWSA-N 1 0 296.842 3.400 20 10 CGCDRO C[C@H]1CC[C@@H](C[NH3+])N(Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001205840881 813104466 /nfs/dbraw/zinc/10/44/66/813104466.db2.gz INJTUKCXMNTNPO-BBRMVZONSA-N 1 0 290.451 3.249 20 10 CGCDRO Cc1nc(C)c(C[N@@H+]2CCc3cccc(O)c3C2)s1 ZINC001206186134 813231869 /nfs/dbraw/zinc/23/18/69/813231869.db2.gz VYOLXOGRXDDFRP-UHFFFAOYSA-N 1 0 274.389 3.024 20 10 CGCDRO Oc1cc(Cl)ccc1C[N@@H+]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001206205922 813240085 /nfs/dbraw/zinc/24/00/85/813240085.db2.gz STVUBZIKJQMPGR-WDEREUQCSA-N 1 0 273.710 3.133 20 10 CGCDRO CC(C)c1ccc(O)c(CN(C)C[C@@H]2CCC[N@@H+]2C)c1 ZINC001206350339 813299955 /nfs/dbraw/zinc/29/99/55/813299955.db2.gz HXTJETFXRILUEE-INIZCTEOSA-N 1 0 276.424 3.042 20 10 CGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CCC[C@H]3CN(C)C[C@H]32)c1 ZINC001206376884 813307561 /nfs/dbraw/zinc/30/75/61/813307561.db2.gz MNUUMLIBXYRNPG-DOTOQJQBSA-N 1 0 288.435 3.042 20 10 CGCDRO CC(C)[N@H+](Cc1ccc(Cl)cc1[O-])[C@H]1CCC[NH2+]CC1 ZINC001206590416 813367853 /nfs/dbraw/zinc/36/78/53/813367853.db2.gz LMKBJJHKNGNVAG-HNNXBMFYSA-N 1 0 296.842 3.398 20 10 CGCDRO COc1ccc(N2CC[NH+](C[C@H]3C[C@H]4C=C[C@@H]3C4)CC2)cc1 ZINC001207615985 813615196 /nfs/dbraw/zinc/61/51/96/813615196.db2.gz PFGDUNRWMCXLDS-GVDBMIGSSA-N 1 0 298.430 3.029 20 10 CGCDRO CC[N@H+](CCC(C)(C)OC)Cc1ccc(N(C)C)cc1 ZINC001209409611 814016513 /nfs/dbraw/zinc/01/65/13/814016513.db2.gz PUCVPQASNVWRFZ-UHFFFAOYSA-N 1 0 278.440 3.390 20 10 CGCDRO Oc1cccc2c1C[N@H+](Cc1ccc3cc[nH]c3c1)CC2 ZINC001209516068 814071161 /nfs/dbraw/zinc/07/11/61/814071161.db2.gz SEMYQOQJHHMLPL-UHFFFAOYSA-N 1 0 278.355 3.432 20 10 CGCDRO Cn1ccc2ccc(-c3cnn(C4CC[NH+](C)CC4)c3)cc21 ZINC001242728168 823114252 /nfs/dbraw/zinc/11/42/52/823114252.db2.gz LBTNDXICIIDMCV-UHFFFAOYSA-N 1 0 294.402 3.309 20 10 CGCDRO CCCC(CCC)Oc1ccc(N2CC[NH2+]CC2)cc1 ZINC001218294047 816155323 /nfs/dbraw/zinc/15/53/23/816155323.db2.gz RYYKLZYQQDAKSW-UHFFFAOYSA-N 1 0 276.424 3.444 20 10 CGCDRO C[C@@H]1CCC[C@H](Oc2ccc(N3CC[NH2+]CC3)cc2)[C@H]1C ZINC001218353630 816174903 /nfs/dbraw/zinc/17/49/03/816174903.db2.gz JHYUFFSNYSTGGU-VKJFTORMSA-N 1 0 288.435 3.300 20 10 CGCDRO Oc1cc2ccccc2cc1CN1CCC[C@]2(CCC[NH2+]2)C1 ZINC001222361353 816419738 /nfs/dbraw/zinc/41/97/38/816419738.db2.gz YTQUNJZMFGCFIG-LJQANCHMSA-N 1 0 296.414 3.263 20 10 CGCDRO CC(C)Oc1ccc(C[N@@H+]2CCc3cccc(O)c3C2)cn1 ZINC001231538436 818122718 /nfs/dbraw/zinc/12/27/18/818122718.db2.gz KTYSIWGEYMEXDQ-UHFFFAOYSA-N 1 0 298.386 3.133 20 10 CGCDRO Cc1cccc(C[N@H+]2CC[C@H](Oc3ncccc3C)C2)c1O ZINC001231595543 818133452 /nfs/dbraw/zinc/13/34/52/818133452.db2.gz ZAJQZLSDLHRGPD-INIZCTEOSA-N 1 0 298.386 3.057 20 10 CGCDRO COc1cc(C[NH+](CC(C)C)CC(C)C)c(O)cc1O ZINC001231634265 818143499 /nfs/dbraw/zinc/14/34/99/818143499.db2.gz KISXDJMXGYRZSB-UHFFFAOYSA-N 1 0 281.396 3.220 20 10 CGCDRO Cc1cc(C)c(C[N@@H+]2CC[C@H]3O[C@@H](C)C[C@H]3C2)c(O)c1 ZINC001231844602 818187461 /nfs/dbraw/zinc/18/74/61/818187461.db2.gz NLJMVZNEFNUKJX-GRDNDAEWSA-N 1 0 275.392 3.008 20 10 CGCDRO Cc1cc(C)c(C[N@@H+]2CC[C@@H](c3cccnc3)C2)c(O)c1 ZINC001231844297 818187507 /nfs/dbraw/zinc/18/75/07/818187507.db2.gz IDPFRATYTBDUDA-MRXNPFEDSA-N 1 0 282.387 3.394 20 10 CGCDRO [O-]c1c(Cl)cccc1C[NH+]1CCC2(CCOC2)CC1 ZINC001231909420 818209811 /nfs/dbraw/zinc/20/98/11/818209811.db2.gz NHVDBBNTDXRIEA-UHFFFAOYSA-N 1 0 281.783 3.048 20 10 CGCDRO CCC[N@H+](CC)Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232198342 818274637 /nfs/dbraw/zinc/27/46/37/818274637.db2.gz QVVYHOVCVUJYTG-UHFFFAOYSA-N 1 0 296.842 3.409 20 10 CGCDRO CC[N@H+](Cc1cc(O)cc(OC)c1)Cc1ccccc1O ZINC001232806891 818446834 /nfs/dbraw/zinc/44/68/34/818446834.db2.gz JTBWRYNPTYHQJZ-UHFFFAOYSA-N 1 0 287.359 3.129 20 10 CGCDRO Cc1cccc(C[N@@H+](C)Cc2ccc(N(C)C)cc2O)c1 ZINC001232835203 818452347 /nfs/dbraw/zinc/45/23/47/818452347.db2.gz ZOHMPYFBYOQOIT-UHFFFAOYSA-N 1 0 284.403 3.399 20 10 CGCDRO Oc1cc(CN2CCC[C@@H]2c2cccs2)cc(O)c1O ZINC001233011488 818501396 /nfs/dbraw/zinc/50/13/96/818501396.db2.gz AUCWZAXDBZDMAV-LLVKDONJSA-N 1 0 291.372 3.202 20 10 CGCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CCC[C@@H](CO)CC2)c1 ZINC001233284135 818565170 /nfs/dbraw/zinc/56/51/70/818565170.db2.gz JVWPYUZKFLVWAC-CQSZACIVSA-N 1 0 291.435 3.284 20 10 CGCDRO C[C@@H]1CCC[N@H+](Cc2cc(C(C)(C)C)ccc2O)[C@H]1CO ZINC001233284550 818567250 /nfs/dbraw/zinc/56/72/50/818567250.db2.gz ZCUUTHVQMFSKFJ-CJNGLKHVSA-N 1 0 291.435 3.283 20 10 CGCDRO CCN1CCc2cc(O[C@@H](C)C[NH+](CC)CC)ccc21 ZINC001233608215 818657363 /nfs/dbraw/zinc/65/73/63/818657363.db2.gz RRPUEXJWOSNZRL-AWEZNQCLSA-N 1 0 276.424 3.178 20 10 CGCDRO Oc1c(C[N@@H+]2CCC[C@@H]3C[C@@H]32)cccc1OC(F)(F)F ZINC001233768567 818701711 /nfs/dbraw/zinc/70/17/11/818701711.db2.gz UUCCQTDHLVLDOW-KOLCDFICSA-N 1 0 287.281 3.275 20 10 CGCDRO CC[NH+]1CCN(c2ccc(O[C@@H]3C=CCCC3)cc2)CC1 ZINC001234658021 818908515 /nfs/dbraw/zinc/90/85/15/818908515.db2.gz QXBMGRCRRHRFJV-QGZVFWFLSA-N 1 0 286.419 3.316 20 10 CGCDRO CC(=O)[C@@H]1CC[N@H+](Cc2cccc(-c3ccccc3)c2O)C1 ZINC001234996335 818972205 /nfs/dbraw/zinc/97/22/05/818972205.db2.gz AQXZXYZYIPRHRH-MRXNPFEDSA-N 1 0 295.382 3.470 20 10 CGCDRO C[C@@]1(O)CCC[N@H+](Cc2cccc(-c3ccccc3)c2O)C1 ZINC001234997116 818972748 /nfs/dbraw/zinc/97/27/48/818972748.db2.gz SVONCGDPKQMLLT-LJQANCHMSA-N 1 0 297.398 3.406 20 10 CGCDRO Cc1cc(CN2CCC[C@H]3[NH2+]C[C@H]32)c(C)n1-c1ccccc1 ZINC001235301149 819064227 /nfs/dbraw/zinc/06/42/27/819064227.db2.gz RIXJESRXPSLPBO-RTBURBONSA-N 1 0 295.430 3.030 20 10 CGCDRO CC[C@H]1COCC[N@@H+]1Cc1ccc(C(C)(C)C)cc1O ZINC001235677755 819138474 /nfs/dbraw/zinc/13/84/74/819138474.db2.gz HJVLSNGMLOJGDV-HNNXBMFYSA-N 1 0 277.408 3.301 20 10 CGCDRO CC(C)(C)c1ccc(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)c(O)c1 ZINC001235678562 819138931 /nfs/dbraw/zinc/13/89/31/819138931.db2.gz DPFOFJUVTJQWKY-CABCVRRESA-N 1 0 289.419 3.158 20 10 CGCDRO Cc1ncc(C[N@@H+](C)Cc2ccc(C(C)(C)C)cc2O)cn1 ZINC001235680114 819140348 /nfs/dbraw/zinc/14/03/48/819140348.db2.gz SLYJWLOXTSAFRU-UHFFFAOYSA-N 1 0 299.418 3.420 20 10 CGCDRO C[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C)cc2O)C[C@H](C)N1C ZINC001235681154 819140674 /nfs/dbraw/zinc/14/06/74/819140674.db2.gz YVECMLHGBXLBAL-OKILXGFUSA-N 1 0 290.451 3.214 20 10 CGCDRO C[C@@H]1CC[C@H]([NH3+])CN1Cc1cccc(C(C)(C)C)c1O ZINC001235905206 819214837 /nfs/dbraw/zinc/21/48/37/819214837.db2.gz LEPVDOXYKHIXEV-OCCSQVGLSA-N 1 0 276.424 3.001 20 10 CGCDRO Cc1cc(CN2CC[NH2+]C3(CC3)C2)c(C)n1-c1ccccc1 ZINC001235933052 819229972 /nfs/dbraw/zinc/22/99/72/819229972.db2.gz NOZMYWDEEXPINZ-UHFFFAOYSA-N 1 0 295.430 3.032 20 10 CGCDRO CCC[C@H]1CN(Cc2cc3ccccc3cc2O)CC[NH2+]1 ZINC001236179297 819357892 /nfs/dbraw/zinc/35/78/92/819357892.db2.gz PGGAQYYOLMCHJF-KRWDZBQOSA-N 1 0 284.403 3.119 20 10 CGCDRO CN(C)c1ccc(CN(C)[C@H]2CCCC[C@@H]2[NH3+])c(Cl)c1 ZINC001236213301 819376730 /nfs/dbraw/zinc/37/67/30/819376730.db2.gz ASPYPEUHIUQGND-HOTGVXAUSA-N 1 0 295.858 3.108 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(CN2CCC[C@H]([NH3+])[C@H]2C)cc1 ZINC001236417724 819463426 /nfs/dbraw/zinc/46/34/26/819463426.db2.gz CXLCIWQBIXOIOE-APWZRJJASA-N 1 0 297.446 3.406 20 10 CGCDRO Oc1cccc(F)c1CN([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236650763 819562205 /nfs/dbraw/zinc/56/22/05/819562205.db2.gz FDLYDRGVFYHQGY-AWEZNQCLSA-N 1 0 292.398 3.028 20 10 CGCDRO Cc1cccc(O)c1CN([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236661276 819565774 /nfs/dbraw/zinc/56/57/74/819565774.db2.gz BCBFILMJMIZGQV-MRXNPFEDSA-N 1 0 288.435 3.197 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@](C)(F)CC2)cc1OC ZINC001236751301 819589766 /nfs/dbraw/zinc/58/97/66/819589766.db2.gz SZGUXRRHJZWCRX-INIZCTEOSA-N 1 0 297.370 3.124 20 10 CGCDRO CCc1ccc(C[N@@H+]2CCOc3ccccc3C2)c(O)c1 ZINC001236785911 819595507 /nfs/dbraw/zinc/59/55/07/819595507.db2.gz ASRLSYYBRVCMHK-UHFFFAOYSA-N 1 0 283.371 3.349 20 10 CGCDRO COC[C@@H]1CCCC[N@@H+]1Cc1c(O)cc(OC)cc1Cl ZINC001236800468 819600401 /nfs/dbraw/zinc/60/04/01/819600401.db2.gz ZIWKTVBUHQHABI-NSHDSACASA-N 1 0 299.798 3.055 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CCCC[C@](C)(F)C2)c(O)c1 ZINC001236807685 819602121 /nfs/dbraw/zinc/60/21/21/819602121.db2.gz IXSUUKFKRACXGU-INIZCTEOSA-N 1 0 281.371 3.423 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2cc3ccccc3cc2O)CCCO1 ZINC001236826171 819607600 /nfs/dbraw/zinc/60/76/00/819607600.db2.gz HRARPYYRCWAMJM-CYBMUJFWSA-N 1 0 271.360 3.156 20 10 CGCDRO C[C@H]1C[N@H+](Cc2cc3ccccc3cc2O)CCCC1=O ZINC001236826855 819610711 /nfs/dbraw/zinc/61/07/11/819610711.db2.gz OONMXNZRTWOWCI-ZDUSSCGKSA-N 1 0 283.371 3.346 20 10 CGCDRO CC[C@@]12C[C@@H](CO1)[N@H+](Cc1cc3ccccc3cc1O)C2 ZINC001236834386 819613470 /nfs/dbraw/zinc/61/34/70/819613470.db2.gz XXQMPCTXCNWQBW-WMZOPIPTSA-N 1 0 283.371 3.299 20 10 CGCDRO C[C@@H]1C[NH+](Cc2cc3ccccc3cc2O)C[C@@H](C)O1 ZINC001236840650 819618203 /nfs/dbraw/zinc/61/82/03/819618203.db2.gz QXSCVZPPGZTIRI-CHWSQXEVSA-N 1 0 271.360 3.155 20 10 CGCDRO CCC[N@@H+](Cc1ccc2ccccc2c1O)C[C@H]1CC[NH2+]C1 ZINC001236843513 819619228 /nfs/dbraw/zinc/61/92/28/819619228.db2.gz PHKHHAGXSLWMBO-HNNXBMFYSA-N 1 0 298.430 3.367 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2CCCC(=O)[C@H](C)C2)c(O)c1 ZINC001237047071 819651037 /nfs/dbraw/zinc/65/10/37/819651037.db2.gz ZIOMCYJBCXNGHW-CYBMUJFWSA-N 1 0 275.392 3.317 20 10 CGCDRO CC(C)C[N@H+](C)Cc1ccc(OCC(F)(F)F)cc1O ZINC001237051318 819652384 /nfs/dbraw/zinc/65/23/84/819652384.db2.gz KFZMYLCVALAZKL-UHFFFAOYSA-N 1 0 291.313 3.421 20 10 CGCDRO Oc1ccc(F)c(Cl)c1C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC001237124961 819672574 /nfs/dbraw/zinc/67/25/74/819672574.db2.gz TZNNHBKKCDLWSP-HNNXBMFYSA-N 1 0 299.773 3.187 20 10 CGCDRO Oc1ccc(F)c(Cl)c1C[N@@H+]1CCC2(CC2)C1 ZINC001237123069 819673631 /nfs/dbraw/zinc/67/36/31/819673631.db2.gz GUWUCDNDPZCDSZ-UHFFFAOYSA-N 1 0 255.720 3.171 20 10 CGCDRO Cc1ccc(O[C@H]2CC[N@H+](Cc3c(C)cccc3O)C2)nc1 ZINC001237495238 819764607 /nfs/dbraw/zinc/76/46/07/819764607.db2.gz NQHYUDXWGZTXCJ-HNNXBMFYSA-N 1 0 298.386 3.057 20 10 CGCDRO COc1cc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C)c(O)c(OC)c1 ZINC001237676536 819804048 /nfs/dbraw/zinc/80/40/48/819804048.db2.gz PQABHDJFJFGXCW-NEPJUHHUSA-N 1 0 279.380 3.030 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+]2CCCC[C@@](C)(O)C2)c1O ZINC001237681945 819806470 /nfs/dbraw/zinc/80/64/70/819806470.db2.gz UQNAEFKPCAOTPA-OAHLLOKOSA-N 1 0 283.799 3.091 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+]2C[C@@H]3CCCC(=O)[C@@H]3C2)c1O ZINC001237690147 819809154 /nfs/dbraw/zinc/80/91/54/819809154.db2.gz MUCJPKJLLKMIFW-SMDDNHRTSA-N 1 0 293.794 3.155 20 10 CGCDRO CC[N@H+](Cc1ccncc1)Cc1cc(F)cc(C)c1O ZINC001238057335 819918701 /nfs/dbraw/zinc/91/87/01/819918701.db2.gz KHKDHQOSLZWKTQ-UHFFFAOYSA-N 1 0 274.339 3.257 20 10 CGCDRO CSC1CC[NH+](Cc2cc(F)cc(C)c2O)CC1 ZINC001238061892 819920853 /nfs/dbraw/zinc/92/08/53/819920853.db2.gz KZQBISWNUWLVLG-UHFFFAOYSA-N 1 0 269.385 3.167 20 10 CGCDRO Cc1cc(F)cc(C[N@H+]2CCC[C@H](C)[C@@H]2C)c1O ZINC001238060684 819920862 /nfs/dbraw/zinc/92/08/62/819920862.db2.gz FCWAHPJRJRMVNE-JQWIXIFHSA-N 1 0 251.345 3.460 20 10 CGCDRO Cc1cc(F)cc(C[NH+]2CC3CCC(CC3)C2)c1O ZINC001238067290 819922955 /nfs/dbraw/zinc/92/29/55/819922955.db2.gz NJQDHHOQVCGYDE-UHFFFAOYSA-N 1 0 263.356 3.462 20 10 CGCDRO CC[C@@H]1CCC[N@H+](Cc2cc(F)cc(C)c2O)C1 ZINC001238070566 819924503 /nfs/dbraw/zinc/92/45/03/819924503.db2.gz NKCKBEGYTSRDEY-GFCCVEGCSA-N 1 0 251.345 3.462 20 10 CGCDRO C(c1ccc(N2CCSCC2)cc1)=C1CC[NH2+]CC1 ZINC001240879236 821388523 /nfs/dbraw/zinc/38/85/23/821388523.db2.gz LKXYMVDPSXWLGE-UHFFFAOYSA-N 1 0 274.433 3.007 20 10 CGCDRO CN(C)c1ccccc1-c1[nH+]ccc2c1ccn2C ZINC001242172259 822902009 /nfs/dbraw/zinc/90/20/09/822902009.db2.gz GKSSMLBPQDWFIM-UHFFFAOYSA-N 1 0 251.333 3.306 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+][C@@H]1CCC[C@@H](F)C1 ZINC001346029712 936835299 /nfs/dbraw/zinc/83/52/99/936835299.db2.gz QWCHESDNEVDSJN-VXGBXAGGSA-N 1 0 257.736 3.416 20 10 CGCDRO CO[C@@H]1CC[C@@H]([NH2+]Cc2cc(Cl)c(C)cc2O)C1 ZINC001347393983 936882432 /nfs/dbraw/zinc/88/24/32/936882432.db2.gz FWFZQYCHWXABOM-VXGBXAGGSA-N 1 0 269.772 3.011 20 10 CGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@H]2CCCS2)cc1F ZINC001351315761 937014792 /nfs/dbraw/zinc/01/47/92/937014792.db2.gz RFVSUBNBTIVQOY-LLVKDONJSA-N 1 0 286.391 3.016 20 10 CGCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)c1O ZINC001140178224 926715101 /nfs/dbraw/zinc/71/51/01/926715101.db2.gz CZPFQPNUCHGXGX-ZBFHGGJFSA-N 1 0 275.392 3.010 20 10 CGCDRO CN(C)c1ccc(C[NH+]2CCC(F)(C3CC3)CC2)cc1 ZINC001460905119 937552372 /nfs/dbraw/zinc/55/23/72/937552372.db2.gz PQLCMAYOOYLDKA-UHFFFAOYSA-N 1 0 276.399 3.467 20 10 CGCDRO C[C@]1(C[NH2+]Cc2ccc3c(c2)CCCO3)CCCC[C@@H]1O ZINC001461287804 937574604 /nfs/dbraw/zinc/57/46/04/937574604.db2.gz QXXKEXGWYRLLBN-ZWKOTPCHSA-N 1 0 289.419 3.042 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)C[C@H]2CCOC2)cc1 ZINC001461331777 937576416 /nfs/dbraw/zinc/57/64/16/937576416.db2.gz JCDHJHSMZQRRRC-NVXWUHKLSA-N 1 0 290.451 3.438 20 10 CGCDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2C[C@H]2C2CCC2)cc1F ZINC001461593856 937587506 /nfs/dbraw/zinc/58/75/06/937587506.db2.gz NAMNWRAQBFHBGU-SWLSCSKDSA-N 1 0 280.362 3.309 20 10 CGCDRO Cc1cc(C[N@H+]2CCOC[C@H]2CC(C)C)ccc1N(C)C ZINC001307479350 932958204 /nfs/dbraw/zinc/95/82/04/932958204.db2.gz OSOBXYSYKGKFQB-QGZVFWFLSA-N 1 0 290.451 3.308 20 10 CGCDRO CCN(C)c1ccc(C[NH2+][C@@H]2C[C@](C)(OC)C2(C)C)cc1 ZINC001307777895 932998231 /nfs/dbraw/zinc/99/82/31/932998231.db2.gz FLRTWKLVQZWFPC-AEFFLSMTSA-N 1 0 290.451 3.436 20 10 CGCDRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(N(CC)CC)c(F)c1 ZINC001308432913 933110092 /nfs/dbraw/zinc/11/00/92/933110092.db2.gz DKJKQMASCAVWCX-WBVHZDCISA-N 1 0 294.414 3.329 20 10 CGCDRO CN(C)c1cc(F)c(C[N@@H+]2CC[C@H](C3CC3)C2)cc1F ZINC001308598401 933139903 /nfs/dbraw/zinc/13/99/03/933139903.db2.gz LCEDOKFMRCBXAF-LBPRGKRZSA-N 1 0 280.362 3.263 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+][C@@H](C)[C@@H]2CCOC2)c1 ZINC001308721237 933164708 /nfs/dbraw/zinc/16/47/08/933164708.db2.gz RIBWHEFBVODLGL-GXTWGEPZSA-N 1 0 263.381 3.030 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(OC)cc1O)[C@@H]1CC1(C)C ZINC001308716980 933164795 /nfs/dbraw/zinc/16/47/95/933164795.db2.gz XJBOVOHYMNIZGP-KBPBESRZSA-N 1 0 263.381 3.315 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@]1(O)CCCC1(C)C ZINC001308782592 933175249 /nfs/dbraw/zinc/17/52/49/933175249.db2.gz PTPWMDHHBFGWCE-SFHVURJKSA-N 1 0 290.451 3.092 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CCN1CCC[C@@H]1C ZINC001320118368 934003596 /nfs/dbraw/zinc/00/35/96/934003596.db2.gz JKUMFBHSZCOUQI-QLFBSQMISA-N 1 0 288.435 3.323 20 10 CGCDRO COc1ccc(O)c(C[N@H+](C)[C@H]2CC[C@H](SC)C2)c1 ZINC001320637239 934077698 /nfs/dbraw/zinc/07/76/98/934077698.db2.gz LGBSDZYWFHOVTP-JSGCOSHPSA-N 1 0 281.421 3.117 20 10 CGCDRO Cc1cc(O)c(C[NH+]2CCC(O)(C(C)C)CC2)c(Cl)c1 ZINC001474749366 934090572 /nfs/dbraw/zinc/09/05/72/934090572.db2.gz HRKCLTSICHKSKP-UHFFFAOYSA-N 1 0 297.826 3.337 20 10 CGCDRO Cc1ccc(CC[NH2+]Cc2ccc(N3CCCC3)cc2)nc1 ZINC001324611404 934534299 /nfs/dbraw/zinc/53/42/99/934534299.db2.gz ZGIADVNOAZSTNO-UHFFFAOYSA-N 1 0 295.430 3.323 20 10 CGCDRO CC[N@H+](Cc1cc(OC)c(OC)cc1O)C(C)(C)C ZINC001325128037 934889006 /nfs/dbraw/zinc/88/90/06/934889006.db2.gz JEFBVUDJDDWMFO-UHFFFAOYSA-N 1 0 267.369 3.030 20 10 CGCDRO C[C@H](O)[C@H](C)[NH2+]Cc1ccc(N(C)C2CCCCC2)cc1 ZINC001326584469 934991865 /nfs/dbraw/zinc/99/18/65/934991865.db2.gz NZIGFZTYGRLBKI-GJZGRUSLSA-N 1 0 290.451 3.314 20 10 CGCDRO CO[C@H](C)[C@@H](C)[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC001329958159 935256959 /nfs/dbraw/zinc/25/69/59/935256959.db2.gz WXYHMPMTUSCNNL-LPWJVIDDSA-N 1 0 263.381 3.262 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCC[C@@H](F)C2)c1 ZINC001332436678 935469426 /nfs/dbraw/zinc/46/94/26/935469426.db2.gz RYKZLVOUFLWCAH-CHWSQXEVSA-N 1 0 267.344 3.161 20 10 CGCDRO COc1ccc(N2CCC([NH2+]CCCC(F)F)CC2)cc1 ZINC001332455169 935470867 /nfs/dbraw/zinc/47/08/67/935470867.db2.gz HDTKDKWDSXJGEG-UHFFFAOYSA-N 1 0 298.377 3.299 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H](C)CC(=O)OC(C)(C)C)c1O ZINC001332985250 935502374 /nfs/dbraw/zinc/50/23/74/935502374.db2.gz OQZZNPYPAHYEBG-LBPRGKRZSA-N 1 0 293.407 3.165 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CCCC2(C)C)c(O)c1OC ZINC001333693739 935562536 /nfs/dbraw/zinc/56/25/36/935562536.db2.gz OALJDANLQOCMQB-CYBMUJFWSA-N 1 0 279.380 3.078 20 10 CGCDRO C[C@@H](CC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC001337800264 936290168 /nfs/dbraw/zinc/29/01/68/936290168.db2.gz MKBIVROGZREWGI-QWRGUYRKSA-N 1 0 297.370 3.302 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCOC23CCCCC3)cc1 ZINC001473856960 937825175 /nfs/dbraw/zinc/82/51/75/937825175.db2.gz YIZMKLRUVJQTBH-QGZVFWFLSA-N 1 0 288.435 3.334 20 10 CGCDRO CN1CCCC(C)(C)[C@H]1C[NH2+]Cc1ccc(Cl)cc1O ZINC001474498490 937863486 /nfs/dbraw/zinc/86/34/86/937863486.db2.gz UFOZIEXJYOEBOM-OAHLLOKOSA-N 1 0 296.842 3.256 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+][C@@H](CO)CC2CCC2)c1 ZINC001474539059 937865897 /nfs/dbraw/zinc/86/58/97/937865897.db2.gz COTYKZRJDIMAOG-MRXNPFEDSA-N 1 0 277.408 3.156 20 10 CGCDRO CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC001474759444 937879114 /nfs/dbraw/zinc/87/91/14/937879114.db2.gz MHWHHEOQDFSFLJ-LBPRGKRZSA-N 1 0 284.831 3.256 20 10 CGCDRO C=C/C=C/CC[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC001559642534 938231763 /nfs/dbraw/zinc/23/17/63/938231763.db2.gz STBCVPHEOSSDKP-SNAWJCMRSA-N 1 0 290.382 3.089 20 10 CGCDRO CCN(C)c1ccc(C[NH2+][C@@H](CCO)C2CCCC2)cc1 ZINC001560176066 938246006 /nfs/dbraw/zinc/24/60/06/938246006.db2.gz MPCURKBCVWFVON-SFHVURJKSA-N 1 0 290.451 3.174 20 10 CGCDRO c1ccc2ncc(C[NH2+]Cc3ccc4c(c3)CCO4)cc2c1 ZINC001560302592 938252266 /nfs/dbraw/zinc/25/22/66/938252266.db2.gz DHEJYGPZGKXYLO-UHFFFAOYSA-N 1 0 290.366 3.460 20 10 CGCDRO c1cc2c(cc1C[NH2+][C@@H]1CCC[C@@H]3C[C@@H]31)CCCO2 ZINC001560500780 938260548 /nfs/dbraw/zinc/26/05/48/938260548.db2.gz BQDLLQLRAOKUAX-VNQPRFMTSA-N 1 0 257.377 3.290 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2C[C@@H](C)O[C@H]2C)cc1F ZINC001560557363 938262816 /nfs/dbraw/zinc/26/28/16/938262816.db2.gz KZILAHSEUPYYJF-DVOMOZLQSA-N 1 0 294.414 3.327 20 10 CGCDRO c1cc2c(cc1C[NH2+][C@@H]1C[C@@H]3CCC[C@H]13)CCCO2 ZINC001560615366 938265766 /nfs/dbraw/zinc/26/57/66/938265766.db2.gz NSPADDPLQBIPRU-CWRNSKLLSA-N 1 0 257.377 3.290 20 10 CGCDRO CC[NH+](CC)[C@@H]1CCN(Cc2c(O)cc(C)cc2Cl)C1 ZINC001560729739 938272444 /nfs/dbraw/zinc/27/24/44/938272444.db2.gz RVPONZRXSLDBER-CYBMUJFWSA-N 1 0 296.842 3.270 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C[C@@H](C)c2nc(C)cs2)c1 ZINC001560739030 938273206 /nfs/dbraw/zinc/27/32/06/938273206.db2.gz YMEARMNIDGZJNW-SNVBAGLBSA-N 1 0 292.404 3.059 20 10 CGCDRO CCOC[C@H](C)[NH2+]Cc1cc(C(C)C)ccc1O ZINC001560773516 938275010 /nfs/dbraw/zinc/27/50/10/938275010.db2.gz DATNQKBDUJMBDC-LBPRGKRZSA-N 1 0 251.370 3.030 20 10 CGCDRO CO[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1ccc(N)cc1 ZINC001578920829 962605155 /nfs/dbraw/zinc/60/51/55/962605155.db2.gz SVFXETXXDIFBJW-GUYCJALGSA-N 1 0 270.376 3.135 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H](CO)c2ccc(Cl)cc2)c1 ZINC000093113974 345869924 /nfs/dbraw/zinc/86/99/24/345869924.db2.gz UZDSDQGKHZDSLM-HNNXBMFYSA-N 1 0 291.778 3.177 20 10 CGCDRO CC[C@H]([NH2+]CCc1scnc1C)c1ccccc1O ZINC000271658728 346411595 /nfs/dbraw/zinc/41/15/95/346411595.db2.gz CVRFVTPVGXOJLP-ZDUSSCGKSA-N 1 0 276.405 3.441 20 10 CGCDRO C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccc(F)c(F)c1[O-] ZINC000276859823 296117572 /nfs/dbraw/zinc/11/75/72/296117572.db2.gz CHSXUKZAUSMAFF-LLVKDONJSA-N 1 0 298.377 3.053 20 10 CGCDRO COc1cccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)c1O ZINC000019885976 368775758 /nfs/dbraw/zinc/77/57/58/368775758.db2.gz QGVQDVYLQPGEGQ-UHFFFAOYSA-N 1 0 287.403 3.459 20 10 CGCDRO C[C@H]([NH2+]CCc1ccccc1F)c1ccccc1O ZINC000019912681 368781368 /nfs/dbraw/zinc/78/13/68/368781368.db2.gz VJOKFLKTLIXVRS-LBPRGKRZSA-N 1 0 259.324 3.425 20 10 CGCDRO CC[N@H+](Cc1cccc(OC)c1O)[C@H](C)C(C)C ZINC000092590392 370098139 /nfs/dbraw/zinc/09/81/39/370098139.db2.gz PRIWLJKTJLABLR-GFCCVEGCSA-N 1 0 251.370 3.267 20 10 CGCDRO COc1ccc(C[NH2+]CC(C)(C)SC)cc1C ZINC000135385513 371422248 /nfs/dbraw/zinc/42/22/48/371422248.db2.gz AMCNDYDGWGIJTI-UHFFFAOYSA-N 1 0 253.411 3.235 20 10 CGCDRO CC(C)SCC[NH2+][C@H](C)c1cc(F)ccc1O ZINC000287247564 371627862 /nfs/dbraw/zinc/62/78/62/371627862.db2.gz ZHKVXAKZZGFKDR-SNVBAGLBSA-N 1 0 257.374 3.324 20 10 CGCDRO c1cc(N2CCCCC2)ccc1C[NH2+][C@H]1C[C@H]2CC[C@@H]1O2 ZINC000153032038 371744186 /nfs/dbraw/zinc/74/41/86/371744186.db2.gz MWMQDLLMQDAPIA-SQNIBIBYSA-N 1 0 286.419 3.086 20 10 CGCDRO C[C@@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1cc(F)ccc1O ZINC000289268541 371751834 /nfs/dbraw/zinc/75/18/34/371751834.db2.gz GCNWZQGSXMOSSX-DOMZBBRYSA-N 1 0 281.371 3.047 20 10 CGCDRO COc1ccc2c(c1)C[C@H]([NH2+]Cc1ccccc1O)CC2 ZINC000159555687 372155460 /nfs/dbraw/zinc/15/54/60/372155460.db2.gz ZRDDTNKGAFCOBB-MRXNPFEDSA-N 1 0 283.371 3.048 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCOC(C)(C)C2)c(O)c1 ZINC000159972201 372199384 /nfs/dbraw/zinc/19/93/84/372199384.db2.gz UHUNUFNPUQXPGC-CHWSQXEVSA-N 1 0 263.381 3.309 20 10 CGCDRO Cc1cc(C[N@@H+]2CCC[C@@]2(C)CCCO)ccc1N(C)C ZINC000293766590 372475954 /nfs/dbraw/zinc/47/59/54/372475954.db2.gz KLRSEAORWSUUGZ-SFHVURJKSA-N 1 0 290.451 3.188 20 10 CGCDRO COC1(CC[NH2+][C@@H](C)c2cc(F)ccc2O)CCC1 ZINC000293716759 372459300 /nfs/dbraw/zinc/45/93/00/372459300.db2.gz NEPPNLKHLZDKMZ-NSHDSACASA-N 1 0 267.344 3.141 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](O)CC2)cc1F ZINC000294114712 372584700 /nfs/dbraw/zinc/58/47/00/372584700.db2.gz SVBGLSHNLDAUCR-HNNXBMFYSA-N 1 0 294.414 3.019 20 10 CGCDRO CO[C@@](C)(C[NH2+][C@H](C)c1c(C)cc(C)cc1O)C1CC1 ZINC000294314215 372647762 /nfs/dbraw/zinc/64/77/62/372647762.db2.gz OACCKVXFZKDWKR-DYVFJYSZSA-N 1 0 277.408 3.475 20 10 CGCDRO CCn1cc([C@H](C)[NH2+][C@@H](C)c2cc(OC)ccc2O)cn1 ZINC000294970150 372682507 /nfs/dbraw/zinc/68/25/07/372682507.db2.gz XIPIXUVOMLDQKD-RYUDHWBXSA-N 1 0 289.379 3.029 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](CC)c1ccc(C)cc1O)C(C)(C)O ZINC000295028682 372688504 /nfs/dbraw/zinc/68/85/04/372688504.db2.gz OIHNVHNTOCSDEL-DZGCQCFKSA-N 1 0 265.397 3.291 20 10 CGCDRO CO[C@H]1CC[N@H+](Cc2c(O)cccc2Cl)CC1(C)C ZINC000295122702 372694653 /nfs/dbraw/zinc/69/46/53/372694653.db2.gz XOORGWBDCVHNHI-AWEZNQCLSA-N 1 0 283.799 3.293 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]CCOc1ccccc1)CC2 ZINC000295775933 372907612 /nfs/dbraw/zinc/90/76/12/372907612.db2.gz ANWZZAWDTUOXHQ-HNNXBMFYSA-N 1 0 269.344 3.048 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+][C@@H]1[C@@H]3CCO[C@H]3C13CCCC3)CC2 ZINC000296672069 373215712 /nfs/dbraw/zinc/21/57/12/373215712.db2.gz FXRWBFRMBXHWIJ-MJSCVDMRSA-N 1 0 299.414 3.317 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]CC1CC(F)(F)C1)CC2 ZINC000297472054 373271733 /nfs/dbraw/zinc/27/17/33/373271733.db2.gz YRPSXQIRXMJNPK-NSHDSACASA-N 1 0 253.292 3.014 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CC[C@@H](C)CCO)c(O)c1C ZINC000297325129 373265774 /nfs/dbraw/zinc/26/57/74/373265774.db2.gz NPLKHTBVSIMQNF-BXUZGUMPSA-N 1 0 265.397 3.068 20 10 CGCDRO CC(C)CCOC1CC[NH+](Cc2ccccc2O)CC1 ZINC000179944667 373945046 /nfs/dbraw/zinc/94/50/46/373945046.db2.gz WOBSIJKAIJYUSU-UHFFFAOYSA-N 1 0 277.408 3.419 20 10 CGCDRO COc1cc(O)c(C[N@H+](C)[C@@H](C)c2ccco2)cc1OC ZINC000179682657 373905744 /nfs/dbraw/zinc/90/57/44/373905744.db2.gz FLWDBZPHWSCKJB-NSHDSACASA-N 1 0 291.347 3.195 20 10 CGCDRO Cc1ccc(O)c(C[N@H+]2CCC[C@H]2c2cccn2C)c1 ZINC000179708759 373907554 /nfs/dbraw/zinc/90/75/54/373907554.db2.gz QQTKQCALZCZTMY-INIZCTEOSA-N 1 0 270.376 3.376 20 10 CGCDRO Cc1ccc([C@@H]2COCCN2Cc2cc(F)ccc2O)o1 ZINC000180166497 373971798 /nfs/dbraw/zinc/97/17/98/373971798.db2.gz NCSDXCNEBCYQFV-AWEZNQCLSA-N 1 0 291.322 3.006 20 10 CGCDRO CCOc1cccc(C[N@H+](C)[C@@H](C)c2ccccn2)c1O ZINC000182063572 374213561 /nfs/dbraw/zinc/21/35/61/374213561.db2.gz CLUQLHCONLDCJL-ZDUSSCGKSA-N 1 0 286.375 3.379 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](O)Cc1ccccc1)c1ccccc1O ZINC000183321267 374401646 /nfs/dbraw/zinc/40/16/46/374401646.db2.gz ZOADOJVUBRNRGW-RDJZCZTQSA-N 1 0 285.387 3.037 20 10 CGCDRO C[C@H]([NH2+]Cc1cccc2c1OCCCO2)c1ccccc1O ZINC000183622397 374434458 /nfs/dbraw/zinc/43/44/58/374434458.db2.gz WJZXGFBPOZMVEO-ZDUSSCGKSA-N 1 0 299.370 3.404 20 10 CGCDRO C[C@@H]([NH2+][C@@H](Cc1ccccc1)CN(C)C)c1ccccc1O ZINC000183435110 374414024 /nfs/dbraw/zinc/41/40/24/374414024.db2.gz LIYHTNIHTBCFAX-WBVHZDCISA-N 1 0 298.430 3.216 20 10 CGCDRO C[C@H](C[NH2+][C@@H](C)c1ccccc1O)N1CCC(C)CC1 ZINC000183468241 374418681 /nfs/dbraw/zinc/41/86/81/374418681.db2.gz CHSCDZGUYMOUSS-CABCVRRESA-N 1 0 276.424 3.163 20 10 CGCDRO COc1ccc(CC[NH2+][C@H](C)c2ccccc2O)cc1F ZINC000183488275 374420360 /nfs/dbraw/zinc/42/03/60/374420360.db2.gz GUNQFFXSXPEDJE-GFCCVEGCSA-N 1 0 289.350 3.433 20 10 CGCDRO CC(C)[C@H](O)C(C)(C)C[NH2+][C@H](C)c1ccccc1O ZINC000183629042 374436610 /nfs/dbraw/zinc/43/66/10/374436610.db2.gz SOUKPQGWINECTE-DOMZBBRYSA-N 1 0 265.397 3.086 20 10 CGCDRO CC[C@@H](CO)[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000188671446 375252396 /nfs/dbraw/zinc/25/23/96/375252396.db2.gz UOUDVLGHPNBHNB-WBVHZDCISA-N 1 0 290.451 3.489 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CCS[C@H](C)CC2)c1O ZINC000190696264 375532837 /nfs/dbraw/zinc/53/28/37/375532837.db2.gz KMCCMCLAVGGOBU-GFCCVEGCSA-N 1 0 281.421 3.118 20 10 CGCDRO Cc1cccc(C[N@H+]2CCSCC[C@@H]2C)c1O ZINC000191809791 375664645 /nfs/dbraw/zinc/66/46/45/375664645.db2.gz XXLMJERBQHQAIK-LBPRGKRZSA-N 1 0 251.395 3.028 20 10 CGCDRO CCC(CC)(C[NH2+]Cc1cc(OC)ccc1O)SC ZINC000224890629 376288811 /nfs/dbraw/zinc/28/88/11/376288811.db2.gz CMOLCSDRIOFOAF-UHFFFAOYSA-N 1 0 283.437 3.412 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](C)Cn2ccnc2)cc1 ZINC000268838719 378126924 /nfs/dbraw/zinc/12/69/24/378126924.db2.gz TWRZDVWWWKSGBW-LSDHHAIUSA-N 1 0 286.423 3.079 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)cc1 ZINC000270671061 378385878 /nfs/dbraw/zinc/38/58/78/378385878.db2.gz QKPNEBRWVDADNC-WBVHZDCISA-N 1 0 290.451 3.436 20 10 CGCDRO CC[C@@H]([NH2+][C@H](C)Cn1cccn1)c1ccc(N(C)C)cc1 ZINC000271468599 378492684 /nfs/dbraw/zinc/49/26/84/378492684.db2.gz LGMXMMVMMCGKJZ-RHSMWYFYSA-N 1 0 286.423 3.079 20 10 CGCDRO CCn1cc([C@@H](C)[NH2+]Cc2ccc(N(C)C)c(C)c2)cn1 ZINC000271520232 378495078 /nfs/dbraw/zinc/49/50/78/378495078.db2.gz QBRXJXFKXRMHRA-CQSZACIVSA-N 1 0 286.423 3.128 20 10 CGCDRO Cc1ccncc1[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000271554367 378497669 /nfs/dbraw/zinc/49/76/69/378497669.db2.gz UXRWMIDSIUNWRV-AWEZNQCLSA-N 1 0 269.392 3.307 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccccc1N(C)C)c1ccccc1O ZINC000271693285 378500423 /nfs/dbraw/zinc/50/04/23/378500423.db2.gz RUQMVESPVNMTCA-CYBMUJFWSA-N 1 0 270.376 3.309 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2sc(C)nc2C)c1 ZINC000271810465 378506860 /nfs/dbraw/zinc/50/68/60/378506860.db2.gz MBUABCQTZHLQSI-SECBINFHSA-N 1 0 292.404 3.325 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H]2CCO[C@H](CC(C)C)C2)c1O ZINC000272173820 378577116 /nfs/dbraw/zinc/57/71/16/378577116.db2.gz XHCFCPASGCDPQE-HZPDHXFCSA-N 1 0 277.408 3.384 20 10 CGCDRO Oc1cccc2c1CC[C@@H]2[NH2+]Cc1cc(F)ccc1O ZINC000272506148 378653577 /nfs/dbraw/zinc/65/35/77/378653577.db2.gz WJRDDEYAPYLIJX-AWEZNQCLSA-N 1 0 273.307 3.014 20 10 CGCDRO C[C@@H]([NH2+]Cc1cccc(N(C)C)c1)c1cc(F)ccc1O ZINC000273361045 378741555 /nfs/dbraw/zinc/74/15/55/378741555.db2.gz AIVDZSDUJDTHMJ-GFCCVEGCSA-N 1 0 288.366 3.448 20 10 CGCDRO C[C@@H](Cn1ccnc1)[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000273432145 378745504 /nfs/dbraw/zinc/74/55/04/378745504.db2.gz VVKWSVXSKRGGOC-KBPBESRZSA-N 1 0 295.386 3.481 20 10 CGCDRO C[C@@H]([NH2+]C1CCC1)c1ccc(Br)cc1O ZINC000273450648 378746629 /nfs/dbraw/zinc/74/66/29/378746629.db2.gz FWZATQPCHPOEMK-MRVPVSSYSA-N 1 0 270.170 3.358 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2nnc(C(C)C)[nH]2)c1 ZINC000273464428 378748572 /nfs/dbraw/zinc/74/85/72/378748572.db2.gz IPYLBGWUZZUFRH-RYUDHWBXSA-N 1 0 288.395 3.354 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H](CCO)C(C)C)c(O)c1C ZINC000273558526 378752931 /nfs/dbraw/zinc/75/29/31/378752931.db2.gz HLYUHQITFBPZFT-UKRRQHHQSA-N 1 0 265.397 3.067 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CC2CCOCC2)c(O)c1C ZINC000273556327 378753008 /nfs/dbraw/zinc/75/30/08/378753008.db2.gz GYUDOIPZLYTFAA-CYBMUJFWSA-N 1 0 263.381 3.086 20 10 CGCDRO C[C@H]([NH2+][C@@H](C)[C@H]1CCOC1)c1cc2c(cc1O)CCCC2 ZINC000273586037 378753950 /nfs/dbraw/zinc/75/39/50/378753950.db2.gz NTPLALULGZZVIE-XEZPLFJOSA-N 1 0 289.419 3.347 20 10 CGCDRO CO[C@@H](C)CC[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000273584365 378754492 /nfs/dbraw/zinc/75/44/92/378754492.db2.gz NJKUDUOGJOVERA-STQMWFEESA-N 1 0 277.408 3.347 20 10 CGCDRO C[C@H](COCC(F)(F)F)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000273588474 378754854 /nfs/dbraw/zinc/75/48/54/378754854.db2.gz ONFRDPBACINBHS-RKDXNWHRSA-N 1 0 295.276 3.149 20 10 CGCDRO C[C@H]([NH2+]C[C@H](c1ccsc1)N(C)C)c1ccccc1O ZINC000272813486 378708443 /nfs/dbraw/zinc/70/84/43/378708443.db2.gz DPPGHSIIHSDYND-SWLSCSKDSA-N 1 0 290.432 3.407 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCOCC3(CCCC3)C2)c1 ZINC000373568220 379300835 /nfs/dbraw/zinc/30/08/35/379300835.db2.gz MBGGQLWLSNYXND-UHFFFAOYSA-N 1 0 275.392 3.093 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCOC[C@H]2c2ccccc2)c1O ZINC000374998506 379482300 /nfs/dbraw/zinc/48/23/00/379482300.db2.gz NRGRUQODMHAWNO-KRWDZBQOSA-N 1 0 283.371 3.274 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCCc2nn(C)cc21)c1ccccc1O ZINC000282441066 379920138 /nfs/dbraw/zinc/92/01/38/379920138.db2.gz NBLHDWIIKUDGDS-GJZGRUSLSA-N 1 0 285.391 3.244 20 10 CGCDRO CCCC[N@H+](Cc1ccon1)Cc1ccccc1O ZINC000282523075 379938538 /nfs/dbraw/zinc/93/85/38/379938538.db2.gz UDKVCAWZZSGZEU-UHFFFAOYSA-N 1 0 260.337 3.183 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCCOCC2CC2)c(O)c1 ZINC000284137880 380128655 /nfs/dbraw/zinc/12/86/55/380128655.db2.gz OPNDJNKTXDGGKD-CQSZACIVSA-N 1 0 277.408 3.476 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](C)CSC)c1ccc(F)cc1[O-] ZINC000286244555 380180579 /nfs/dbraw/zinc/18/05/79/380180579.db2.gz UDGJANDYXQSIEG-JOYOIKCWSA-N 1 0 257.374 3.324 20 10 CGCDRO Oc1ccccc1C[NH+]1CCC(Cc2cccnc2)CC1 ZINC000359954973 381386611 /nfs/dbraw/zinc/38/66/11/381386611.db2.gz AJUSLDZQPIVGOM-UHFFFAOYSA-N 1 0 282.387 3.242 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CC3(CCC3)C[C@H]2C)c1 ZINC000365446287 382286825 /nfs/dbraw/zinc/28/68/25/382286825.db2.gz ZOSPMXQOKZVRME-GFCCVEGCSA-N 1 0 261.365 3.165 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CCCC[C@@H](COC)C2)c1 ZINC000368666027 382379060 /nfs/dbraw/zinc/37/90/60/382379060.db2.gz JNAPNYAZAHITLL-CQSZACIVSA-N 1 0 293.407 3.039 20 10 CGCDRO Cc1cc(C)cc(N(C)C(=O)c2cccc3c2CC[NH2+]C3)c1 ZINC000317893749 542438482 /nfs/dbraw/zinc/43/84/82/542438482.db2.gz WHVTXTNTRFZFHP-UHFFFAOYSA-N 1 0 294.398 3.226 20 10 CGCDRO CSCC[C@H](C)[N@H+](C)Cc1cc(C)ccc1O ZINC000093558903 392239518 /nfs/dbraw/zinc/23/95/18/392239518.db2.gz WCGJAQAQCBIFNJ-LBPRGKRZSA-N 1 0 253.411 3.274 20 10 CGCDRO CCOc1cccc(C[N@H+](C)[C@@H](C)CCSC)c1O ZINC000093558731 392239568 /nfs/dbraw/zinc/23/95/68/392239568.db2.gz OVBXEWCTXRVOEX-LBPRGKRZSA-N 1 0 283.437 3.364 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2C[C@H](N3CCCC3)C[C@@H]2C)cc1C ZINC000285262693 392320700 /nfs/dbraw/zinc/32/07/00/392320700.db2.gz XYUPBUJHTMOGCD-DOTOQJQBSA-N 1 0 288.435 3.068 20 10 CGCDRO C[N@H+](CCCF)Cc1ccc(N2CCCCC2)cc1 ZINC000119389581 392394322 /nfs/dbraw/zinc/39/43/22/392394322.db2.gz DCTQGGCFUICJNX-UHFFFAOYSA-N 1 0 264.388 3.468 20 10 CGCDRO CCc1ccc([C@H](COC)[NH2+]Cc2ccccc2O)o1 ZINC000174480225 392642355 /nfs/dbraw/zinc/64/23/55/392642355.db2.gz VKNAFZOUGUWMGP-AWEZNQCLSA-N 1 0 275.348 3.025 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CCO[C@@H](c2cccs2)C1 ZINC000179564497 392702779 /nfs/dbraw/zinc/70/27/79/392702779.db2.gz PXSUCAKSQBALEU-CQSZACIVSA-N 1 0 275.373 3.027 20 10 CGCDRO C[C@H]1C[N@H+](Cc2ccccc2O)C[C@H](c2ccsc2)O1 ZINC000179582211 392703833 /nfs/dbraw/zinc/70/38/33/392703833.db2.gz BMTAIFFPNQFUGS-BLLLJJGKSA-N 1 0 289.400 3.416 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCc3cn[nH]c32)c1 ZINC000273520654 393275513 /nfs/dbraw/zinc/27/55/13/393275513.db2.gz UHPLXHZSGARYPD-BXUZGUMPSA-N 1 0 271.364 3.152 20 10 CGCDRO CC[C@@H]([NH2+]CC(C)(C)N(C)C)c1ccc(C)cc1O ZINC000280110610 393338958 /nfs/dbraw/zinc/33/89/58/393338958.db2.gz NOPGEUFVZAVLPT-CQSZACIVSA-N 1 0 264.413 3.082 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2ccncc2)c1 ZINC000020121364 171000414 /nfs/dbraw/zinc/00/04/14/171000414.db2.gz WCKVABYRDUPXOV-RYUDHWBXSA-N 1 0 272.348 3.208 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C[C@H](C)c2ccccc2)c1 ZINC000020137565 171025194 /nfs/dbraw/zinc/02/51/94/171025194.db2.gz ORWABSABXXEAAD-ZDUSSCGKSA-N 1 0 271.360 3.294 20 10 CGCDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(N(C)C)cc1)N1CCCCC1 ZINC000038028994 174017980 /nfs/dbraw/zinc/01/79/80/174017980.db2.gz GRNMHGISIIHUTC-HOTGVXAUSA-N 1 0 289.467 3.278 20 10 CGCDRO Cc1c([C@@H](C)[NH2+][C@H](C)c2ccc(N(C)C)cc2)cnn1C ZINC000037321763 260088418 /nfs/dbraw/zinc/08/84/18/260088418.db2.gz NUTWPCVPBYDIFK-CHWSQXEVSA-N 1 0 286.423 3.206 20 10 CGCDRO c1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccc2c(c1)CCO2 ZINC000037362811 260094958 /nfs/dbraw/zinc/09/49/58/260094958.db2.gz ORYHWFOMFUMGTR-QGZVFWFLSA-N 1 0 265.356 3.399 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H](O)c1ccccc1C)c1ccccc1O ZINC000183349489 261971443 /nfs/dbraw/zinc/97/14/43/261971443.db2.gz IZEYBATZDWSWBG-SJLPKXTDSA-N 1 0 285.387 3.475 20 10 CGCDRO C[C@H]([NH2+]CCSC(F)(F)F)c1cc(F)ccc1O ZINC000185086554 262040433 /nfs/dbraw/zinc/04/04/33/262040433.db2.gz AHYWQLXSPFLPBG-ZETCQYMHSA-N 1 0 283.290 3.435 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1CCCOC1)c1cc2c(cc1O)CCCC2 ZINC000185090096 262040989 /nfs/dbraw/zinc/04/09/89/262040989.db2.gz BTVJLOAAASPJOX-KBPBESRZSA-N 1 0 289.419 3.348 20 10 CGCDRO CC(C)C[C@H](CO)[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000185114048 262042065 /nfs/dbraw/zinc/04/20/65/262042065.db2.gz VXEZPAQMUJZVEV-ZYHUDNBSSA-N 1 0 271.788 3.103 20 10 CGCDRO COCCCCC[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000185232929 262047258 /nfs/dbraw/zinc/04/72/58/262047258.db2.gz TWOJZDWZHZDHCM-ZDUSSCGKSA-N 1 0 251.370 3.168 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@]2(C)CCCC[C@@H]2O)c(O)c1 ZINC000185644297 262063590 /nfs/dbraw/zinc/06/35/90/262063590.db2.gz TVAJSEXIEITNDG-JQFCIGGWSA-N 1 0 277.408 3.292 20 10 CGCDRO C[C@@H](O)CC(C)(C)C[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000186075018 262078375 /nfs/dbraw/zinc/07/83/75/262078375.db2.gz RMMAHYGMPZBGOB-GHMZBOCLSA-N 1 0 285.815 3.493 20 10 CGCDRO Cc1cccc([C@H](O)C[NH2+][C@H](C)c2ccc(C)cc2O)c1 ZINC000186124874 262081304 /nfs/dbraw/zinc/08/13/04/262081304.db2.gz XFMWPXDQWRDTIV-RDTXWAMCSA-N 1 0 285.387 3.393 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@]2(O)CCc3ccccc32)c1 ZINC000186165487 262082892 /nfs/dbraw/zinc/08/28/92/262082892.db2.gz UJFMGJDZAIQPIO-AUUYWEPGSA-N 1 0 297.398 3.185 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc(N(C)C)n2)c(O)c1 ZINC000186179566 262083708 /nfs/dbraw/zinc/08/37/08/262083708.db2.gz QVTQIHGXDBQQLO-ZDUSSCGKSA-N 1 0 285.391 3.012 20 10 CGCDRO C[C@H]([NH2+][C@H](CCO)c1ccco1)c1ccc(N(C)C)cc1 ZINC000186546819 262098381 /nfs/dbraw/zinc/09/83/81/262098381.db2.gz CVZCASQXGULVMS-XJKSGUPXSA-N 1 0 288.391 3.120 20 10 CGCDRO C[C@H]([NH2+][C@H](CCO)c1ccco1)c1cc(Cl)ccc1O ZINC000186558651 262099025 /nfs/dbraw/zinc/09/90/25/262099025.db2.gz CRPWLENWWKRMGF-GXFFZTMASA-N 1 0 295.766 3.413 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)c2ccsc2)c1 ZINC000185512854 262305936 /nfs/dbraw/zinc/30/59/36/262305936.db2.gz RZEZWZCIXKMGGL-IAQYHMDHSA-N 1 0 277.389 3.146 20 10 CGCDRO Oc1ccc(Cl)cc1CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000023373864 262357683 /nfs/dbraw/zinc/35/76/83/262357683.db2.gz BGVKMYMOJNUZBV-OAHLLOKOSA-N 1 0 294.826 3.106 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c1O ZINC000124513459 262553159 /nfs/dbraw/zinc/55/31/59/262553159.db2.gz MVGUCQIIMYTAFB-GFCCVEGCSA-N 1 0 273.298 3.475 20 10 CGCDRO CCCC[N@H+](Cc1ncc(C)o1)Cc1ccccc1O ZINC000282481778 263076949 /nfs/dbraw/zinc/07/69/49/263076949.db2.gz OYXUKXBXSHSBOV-UHFFFAOYSA-N 1 0 274.364 3.491 20 10 CGCDRO COCC[C@H]1CCCC[N@H+](Cc2ccccc2O)C1 ZINC000368666437 267195980 /nfs/dbraw/zinc/19/59/80/267195980.db2.gz LSQCBQWKYOJGGG-CQSZACIVSA-N 1 0 263.381 3.031 20 10 CGCDRO CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296714095 276007121 /nfs/dbraw/zinc/00/71/21/276007121.db2.gz IIXAPGGSGADVCH-RKVPGOIHSA-N 1 0 289.419 3.420 20 10 CGCDRO CC[C@](C)(O)C[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000185389641 327839441 /nfs/dbraw/zinc/83/94/41/327839441.db2.gz PNGYWYZTYCWGPI-PXAZEXFGSA-N 1 0 277.408 3.083 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)CC(C)(C)OC)c1 ZINC000185564506 327840978 /nfs/dbraw/zinc/84/09/78/327840978.db2.gz BEKWNJBBSWLRKY-VXGBXAGGSA-N 1 0 281.396 3.255 20 10 CGCDRO C[C@H]([NH2+]C[C@H](n1cccn1)C(F)(F)F)c1ccccc1O ZINC000527929684 330297240 /nfs/dbraw/zinc/29/72/40/330297240.db2.gz FAQZDNQLGYIGBI-GWCFXTLKSA-N 1 0 299.296 3.043 20 10 CGCDRO CC[C@@H]([NH2+]CC12CC(C1)CO2)c1cc(Cl)ccc1O ZINC000527981990 330298307 /nfs/dbraw/zinc/29/83/07/330298307.db2.gz PNZPXSMMDQIUAK-VROQLPPWSA-N 1 0 281.783 3.265 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2[C@@H](C)[C@H](C)O[C@H]2C)c(O)c1 ZINC000527999224 330299824 /nfs/dbraw/zinc/29/98/24/330299824.db2.gz CTUZMNBVZRGSAF-YTORKDELSA-N 1 0 263.381 3.163 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1ccc(N(C)C)cc1 ZINC000090454742 330392632 /nfs/dbraw/zinc/39/26/32/330392632.db2.gz CYMOMGIPWYTGNP-RDJZCZTQSA-N 1 0 298.434 3.074 20 10 CGCDRO Cc1ccncc1C[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000162669224 330948658 /nfs/dbraw/zinc/94/86/58/330948658.db2.gz HBEZMKRKJWKJQF-UHFFFAOYSA-N 1 0 281.403 3.062 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCO[C@H](C)C2)cc1 ZINC000219924498 333159331 /nfs/dbraw/zinc/15/93/31/333159331.db2.gz SHFAODSSABOZOD-ZBFHGGJFSA-N 1 0 276.424 3.190 20 10 CGCDRO Oc1ccccc1C[NH2+]C[C@H]1CCC2(CCCCC2)O1 ZINC000229312810 333303448 /nfs/dbraw/zinc/30/34/48/333303448.db2.gz ICMLZWPRDOYLGX-OAHLLOKOSA-N 1 0 275.392 3.364 20 10 CGCDRO CC[C@@H](N[C@@H]1CC[NH2+]C12CCC2)c1cc(Cl)ccc1O ZINC000530215233 333528283 /nfs/dbraw/zinc/52/82/83/333528283.db2.gz FNWKGGWXPGNTHS-UKRRQHHQSA-N 1 0 294.826 3.371 20 10 CGCDRO CO[C@H](C)CC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000264538344 334679726 /nfs/dbraw/zinc/67/97/26/334679726.db2.gz OATKPYYFARRRTK-OAHLLOKOSA-N 1 0 276.424 3.192 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCO[C@H](C)C2)c1 ZINC000273545560 334766744 /nfs/dbraw/zinc/76/67/44/334766744.db2.gz ZJCSCMWHRGWXCD-RDBSUJKOSA-N 1 0 263.381 3.166 20 10 CGCDRO CC(C)(C)[C@@H]1C[C@H]([NH2+]Cc2ccccc2O)CS1 ZINC000277194226 518950176 /nfs/dbraw/zinc/95/01/76/518950176.db2.gz IVRIWLNEKGEFQI-JSGCOSHPSA-N 1 0 265.422 3.402 20 10 CGCDRO CC(C)[C@H]([NH2+][C@H](C)c1cc(Cl)ccc1O)C(C)(C)O ZINC000276745441 519821585 /nfs/dbraw/zinc/82/15/85/519821585.db2.gz HALBCXPBCOEQPS-YGRLFVJLSA-N 1 0 285.815 3.492 20 10 CGCDRO CC(C)[C@H]1C[C@@H]([NH2+]Cc2ccccc2O)CS1 ZINC000277293823 519827361 /nfs/dbraw/zinc/82/73/61/519827361.db2.gz RKGPWENPXMHZKX-TZMCWYRMSA-N 1 0 251.395 3.012 20 10 CGCDRO CCCC[N@H+](Cc1[nH]ncc1C)Cc1ccccc1O ZINC000291553974 520549029 /nfs/dbraw/zinc/54/90/29/520549029.db2.gz MMGLORYSZVFBOG-UHFFFAOYSA-N 1 0 273.380 3.226 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CC2CCOCC2)cc1 ZINC000070161076 520905753 /nfs/dbraw/zinc/90/57/53/520905753.db2.gz UECPIMPFUKURLZ-UHFFFAOYSA-N 1 0 276.424 3.049 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CCC[C@H](CSC)C2)c1O ZINC000292869745 521336333 /nfs/dbraw/zinc/33/63/33/521336333.db2.gz WGFFVFWDVYLINT-ZDUSSCGKSA-N 1 0 295.448 3.366 20 10 CGCDRO CCCc1nc(C)c(C[NH2+]Cc2ccc(N(C)C)cc2)o1 ZINC000291826383 521496055 /nfs/dbraw/zinc/49/60/55/521496055.db2.gz ZRBQHNHCRUFUMC-UHFFFAOYSA-N 1 0 287.407 3.291 20 10 CGCDRO CCOC1(C)CC[NH+](Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000293494355 521636398 /nfs/dbraw/zinc/63/63/98/521636398.db2.gz GUJIPISSGGJDHQ-UHFFFAOYSA-N 1 0 290.451 3.452 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC000085671507 522212423 /nfs/dbraw/zinc/21/24/23/522212423.db2.gz GNJKCXWYNXDXIO-BBWFWOEESA-N 1 0 288.435 3.046 20 10 CGCDRO CC[C@H]([NH2+]C1CCN(CC)CC1)c1ccc(C)cc1O ZINC000280265793 522563409 /nfs/dbraw/zinc/56/34/09/522563409.db2.gz XNXUHRFZNZWGPR-INIZCTEOSA-N 1 0 276.424 3.226 20 10 CGCDRO CC[C@H]([NH2+]CCC(O)(CC)CC)c1ccccc1O ZINC000276627387 522575844 /nfs/dbraw/zinc/57/58/44/522575844.db2.gz IUHRQJCGIRADRC-AWEZNQCLSA-N 1 0 265.397 3.374 20 10 CGCDRO CC[C@H]([NH2+]CC[C@@H](C)CCO)c1ccc(N(C)C)cc1 ZINC000297353791 522596244 /nfs/dbraw/zinc/59/62/44/522596244.db2.gz PGLSBSHTLIGJPT-PBHICJAKSA-N 1 0 278.440 3.202 20 10 CGCDRO CC[C@H]([NH2+]C[C@H](O)Cc1ccccc1)c1ccc(C)cc1O ZINC000280079179 522629179 /nfs/dbraw/zinc/62/91/79/522629179.db2.gz LQKWIMSGZGRWJM-AEFFLSMTSA-N 1 0 299.414 3.345 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)[C@@H](C)OC)c1ccc(C)cc1O ZINC000280038673 522691622 /nfs/dbraw/zinc/69/16/22/522691622.db2.gz ISSCKJQBEZELRR-SCRDCRAPSA-N 1 0 251.370 3.165 20 10 CGCDRO CC[C@H]([NH2+][C@@H](CO)c1ccc(F)cc1)c1ccccc1O ZINC000274913295 522706422 /nfs/dbraw/zinc/70/64/22/522706422.db2.gz NPDRUWYYARJCSV-HOTGVXAUSA-N 1 0 289.350 3.306 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H]1CCSC1)c1ccccc1O ZINC000228552453 522866128 /nfs/dbraw/zinc/86/61/28/522866128.db2.gz OTEFXIMLIJBJNO-DGCLKSJQSA-N 1 0 251.395 3.186 20 10 CGCDRO CO[C@@H](C)[C@@H](C)[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000290163641 523431050 /nfs/dbraw/zinc/43/10/50/523431050.db2.gz MCNCEMHORWSYDL-UPJWGTAASA-N 1 0 251.370 3.083 20 10 CGCDRO COc1ccc(C[NH2+][C@H](C)c2ccccn2)cc1C ZINC000035052532 524089989 /nfs/dbraw/zinc/08/99/89/524089989.db2.gz CPEFMFYAYVWUDI-CYBMUJFWSA-N 1 0 256.349 3.249 20 10 CGCDRO C[C@@H](CCCO)[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000094941571 524463190 /nfs/dbraw/zinc/46/31/90/524463190.db2.gz SFURJVSPHVCUHR-STQMWFEESA-N 1 0 273.376 3.357 20 10 CGCDRO C[C@@H](CN(C)C)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000290086041 524571925 /nfs/dbraw/zinc/57/19/25/524571925.db2.gz JHGRSUASHHXBMX-AWEZNQCLSA-N 1 0 284.403 3.099 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)s1 ZINC000048400329 524583436 /nfs/dbraw/zinc/58/34/36/524583436.db2.gz ZESCOJCDKULJPE-UHFFFAOYSA-N 1 0 259.374 3.281 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](C3CC3)C2)c1 ZINC000290124030 524741826 /nfs/dbraw/zinc/74/18/26/524741826.db2.gz JBGPORIATDRXMO-ZDUSSCGKSA-N 1 0 261.365 3.023 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c1 ZINC000292677946 525345148 /nfs/dbraw/zinc/34/51/48/525345148.db2.gz AKYWCMFFYFYCAD-KGLIPLIRSA-N 1 0 267.319 3.178 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1CCSC1)c1cc(Cl)ccc1O ZINC000280191674 525392479 /nfs/dbraw/zinc/39/24/79/525392479.db2.gz UVMZRKFGJNJJRH-UWVGGRQHSA-N 1 0 271.813 3.449 20 10 CGCDRO C[C@H]([NH2+][C@@H](C)[C@@H](O)c1ccccc1)c1cc(F)ccc1O ZINC000290406353 525522633 /nfs/dbraw/zinc/52/26/33/525522633.db2.gz TYMWOEJCJNAPKH-NVGCLXPQSA-N 1 0 289.350 3.304 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C(C)(C)C ZINC000112375739 525525997 /nfs/dbraw/zinc/52/59/97/525525997.db2.gz KXWXVWJMRLOOQE-CQSZACIVSA-N 1 0 276.424 3.047 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1cccnc1 ZINC000050286107 525532002 /nfs/dbraw/zinc/53/20/02/525532002.db2.gz COYQOGKKUWEGJK-CQSZACIVSA-N 1 0 281.403 3.315 20 10 CGCDRO C[C@H](O)CCC[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000278558996 525715277 /nfs/dbraw/zinc/71/52/77/525715277.db2.gz CFQYRUIVGCRASQ-AWEZNQCLSA-N 1 0 285.387 3.310 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](CO)c2ccccc2)c(O)c1C ZINC000273570612 525729245 /nfs/dbraw/zinc/72/92/45/525729245.db2.gz KNAGGRLDEJGHNS-WBVHZDCISA-N 1 0 299.414 3.436 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]2CCO)c(O)c1C ZINC000275115311 525937665 /nfs/dbraw/zinc/93/76/65/525937665.db2.gz ISYSMLYZNVPGFX-OFQRWUPVSA-N 1 0 277.408 3.211 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2CCO)c(O)c1C ZINC000275115313 525937701 /nfs/dbraw/zinc/93/77/01/525937701.db2.gz ISYSMLYZNVPGFX-SQWLQELKSA-N 1 0 277.408 3.211 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCOC[C@@H]2C)c(O)c1C ZINC000278757317 525945950 /nfs/dbraw/zinc/94/59/50/525945950.db2.gz XICLTSWYJKXDGV-WHOFXGATSA-N 1 0 263.381 3.085 20 10 CGCDRO COc1cccc(C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)c1O ZINC000278444767 525951191 /nfs/dbraw/zinc/95/11/91/525951191.db2.gz WUHVJPBCWHFXJP-JTQLQIEISA-N 1 0 289.297 3.175 20 10 CGCDRO COc1cccc(C[NH2+][C@@H](C)CSC(C)(C)C)c1O ZINC000289381339 526029136 /nfs/dbraw/zinc/02/91/36/526029136.db2.gz CMAIMULKGNYJHZ-NSHDSACASA-N 1 0 283.437 3.411 20 10 CGCDRO COc1cccc(C[NH2+][C@@H]2CCc3ccccc3C2)c1O ZINC000051630648 526033588 /nfs/dbraw/zinc/03/35/88/526033588.db2.gz KIRIKXSKDKHUCI-MRXNPFEDSA-N 1 0 283.371 3.048 20 10 CGCDRO Cc1nc(F)ccc1C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000279573555 526943790 /nfs/dbraw/zinc/94/37/90/526943790.db2.gz TVUQTOHFEBPAHJ-UHFFFAOYSA-N 1 0 287.382 3.227 20 10 CGCDRO OCC[N@H+](Cc1ccc(N2CCCCC2)cc1)C1CCC1 ZINC000276055008 527549346 /nfs/dbraw/zinc/54/93/46/527549346.db2.gz SARMIJRCYMSHFU-UHFFFAOYSA-N 1 0 288.435 3.024 20 10 CGCDRO CCOc1ccc(C[NH2+][C@H](C)c2nc(C)cs2)c(O)c1 ZINC000727837165 571772458 /nfs/dbraw/zinc/77/24/58/571772458.db2.gz MGCSVCILDJRAIN-LLVKDONJSA-N 1 0 292.404 3.407 20 10 CGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@@H](C)C3)c2c1 ZINC000725778686 572400076 /nfs/dbraw/zinc/40/00/76/572400076.db2.gz NUKQEJHTVCDNCP-GFCCVEGCSA-N 1 0 271.360 3.396 20 10 CGCDRO COc1ccc(C[NH2+][C@H](C)Cc2cccc(O)c2)cc1C ZINC000731450706 572413390 /nfs/dbraw/zinc/41/33/90/572413390.db2.gz ZNILOSZEMGTKHO-CQSZACIVSA-N 1 0 285.387 3.430 20 10 CGCDRO CCOC1CC[NH+](Cc2ccc(N(C)CC)cc2)CC1 ZINC000741754728 572523202 /nfs/dbraw/zinc/52/32/02/572523202.db2.gz WMZKAQARYSKMSG-UHFFFAOYSA-N 1 0 276.424 3.144 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(-n3cccn3)cc2)c1 ZINC000733324655 572555351 /nfs/dbraw/zinc/55/53/51/572555351.db2.gz QNEINQXIJSERLJ-UHFFFAOYSA-N 1 0 293.370 3.176 20 10 CGCDRO Oc1cccc(Cl)c1C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000846117139 618073804 /nfs/dbraw/zinc/07/38/04/618073804.db2.gz NFGNIVJRXQAMBG-LBPRGKRZSA-N 1 0 273.710 3.277 20 10 CGCDRO COc1cc(O)c(C[NH+]2CCC(C(C)C)CC2)cc1OC ZINC000160296672 617887685 /nfs/dbraw/zinc/88/76/85/617887685.db2.gz JREMMGDQEQTBPU-UHFFFAOYSA-N 1 0 293.407 3.277 20 10 CGCDRO CC[C@H]([NH2+]Cc1cccc(OC)c1O)c1nccs1 ZINC000080260284 617984177 /nfs/dbraw/zinc/98/41/77/617984177.db2.gz QJUZQZBTESFXRT-NSHDSACASA-N 1 0 278.377 3.098 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCC[C@@H]2OC)cc1 ZINC000049948925 618032166 /nfs/dbraw/zinc/03/21/66/618032166.db2.gz XKJWSBRTBWIAFR-IRXDYDNUSA-N 1 0 276.424 3.190 20 10 CGCDRO Cc1cc(C[NH2+]C2([C@@H]3CCCCO3)CC2)ccc1N(C)C ZINC000933375557 618222259 /nfs/dbraw/zinc/22/22/59/618222259.db2.gz KYVGMWJRBKJYEC-KRWDZBQOSA-N 1 0 288.435 3.252 20 10 CGCDRO CCOc1ncccc1C[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000184985812 625287048 /nfs/dbraw/zinc/28/70/48/625287048.db2.gz MQEGNWXMCFCHIU-ZDUSSCGKSA-N 1 0 286.375 3.345 20 10 CGCDRO C[C@H]([NH2+]CC(C)(C)OCC1CC1)c1ccccc1O ZINC000840873309 618740023 /nfs/dbraw/zinc/74/00/23/618740023.db2.gz QRIYLBYKCQTGTI-LBPRGKRZSA-N 1 0 263.381 3.248 20 10 CGCDRO CCC(CC)[C@@H](O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000162195160 618744036 /nfs/dbraw/zinc/74/40/36/618744036.db2.gz YHONBYYQOJJTQP-GUYCJALGSA-N 1 0 278.440 3.200 20 10 CGCDRO CCC(CC)[C@H](O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000162195035 618744077 /nfs/dbraw/zinc/74/40/77/618744077.db2.gz YHONBYYQOJJTQP-SUMWQHHRSA-N 1 0 278.440 3.200 20 10 CGCDRO CCCCC[C@H](C)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000892478625 618801967 /nfs/dbraw/zinc/80/19/67/618801967.db2.gz MOWCRUUORBFVIL-LBPRGKRZSA-N 1 0 281.396 3.468 20 10 CGCDRO Oc1cc2c(cc1C[N@@H+]1CCCc3ccccc3C1)OCO2 ZINC000172504387 618854016 /nfs/dbraw/zinc/85/40/16/618854016.db2.gz CHGVDSKUMRZOOU-UHFFFAOYSA-N 1 0 297.354 3.069 20 10 CGCDRO Cn1cc[nH+]c1NCc1ccc(N2CCCCC2)cc1 ZINC000840886882 618893615 /nfs/dbraw/zinc/89/36/15/618893615.db2.gz BXWQIJPXTAAEPL-UHFFFAOYSA-N 1 0 270.380 3.023 20 10 CGCDRO Oc1cccc(Cl)c1CNc1[nH+]ccn1C1CC1 ZINC000840887399 618897212 /nfs/dbraw/zinc/89/72/12/618897212.db2.gz NGBCUEPTUXOJDB-UHFFFAOYSA-N 1 0 263.728 3.189 20 10 CGCDRO C[C@@H](Cc1ccncc1)[NH2+][C@@H](C)c1ccccc1O ZINC000783518529 618911937 /nfs/dbraw/zinc/91/19/37/618911937.db2.gz DEBWHVRQAALGBF-STQMWFEESA-N 1 0 256.349 3.069 20 10 CGCDRO CCC(C)(C)OCC[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000308731285 618975651 /nfs/dbraw/zinc/97/56/51/618975651.db2.gz JNRCPLQSXIJMIJ-LBPRGKRZSA-N 1 0 281.396 3.257 20 10 CGCDRO CC[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(OC)c(OC)c2O)C1 ZINC000893014292 618977218 /nfs/dbraw/zinc/97/72/18/618977218.db2.gz QICTXVKUARYUMA-TZMCWYRMSA-N 1 0 293.407 3.468 20 10 CGCDRO CCOCC(C)(C)C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000311962356 618979992 /nfs/dbraw/zinc/97/99/92/618979992.db2.gz JPOLNRBZDBDIAC-NSHDSACASA-N 1 0 269.360 3.245 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CC2(CO)CCCC2)cc1 ZINC000186484878 619070660 /nfs/dbraw/zinc/07/06/60/619070660.db2.gz BUHRDWWREBIZAB-OAHLLOKOSA-N 1 0 290.451 3.346 20 10 CGCDRO CO[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(C)c2O)C1(C)C ZINC000776230413 619117490 /nfs/dbraw/zinc/11/74/90/619117490.db2.gz HWLWCYLYQFKQGK-OLZOCXBDSA-N 1 0 283.799 3.257 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@H]2CC(C)(C)C[C@H]2C)c1 ZINC000193135550 619126252 /nfs/dbraw/zinc/12/62/52/619126252.db2.gz LNILQBORKOGKQX-RISCZKNCSA-N 1 0 263.381 3.315 20 10 CGCDRO COc1cc(O)c(C[NH2+]CC(C(C)C)C(C)C)cc1OC ZINC000194843859 619143987 /nfs/dbraw/zinc/14/39/87/619143987.db2.gz HZMMMEWDYNIWNO-UHFFFAOYSA-N 1 0 295.423 3.427 20 10 CGCDRO CCCN(Cc1cscn1)c1ccc(C[NH3+])cc1 ZINC000194978701 619144803 /nfs/dbraw/zinc/14/48/03/619144803.db2.gz UUIANEFIEKREKS-UHFFFAOYSA-N 1 0 261.394 3.018 20 10 CGCDRO COc1cccc(C[N@@H+]2C[C@H](C)CCC[C@H]2C)c1O ZINC000093509257 619202101 /nfs/dbraw/zinc/20/21/01/619202101.db2.gz POTODADVWBDOCS-CHWSQXEVSA-N 1 0 263.381 3.411 20 10 CGCDRO C[C@H]1SCC[N@H+](Cc2cc(Cl)ccc2O)[C@H]1C ZINC000093500532 619202346 /nfs/dbraw/zinc/20/23/46/619202346.db2.gz GFMYWZMJYBOLPD-VHSXEESVSA-N 1 0 271.813 3.371 20 10 CGCDRO CS[C@H]1CC[C@H]([NH2+]Cc2ccc(N(C)C)cc2C)C1 ZINC000840935005 619226711 /nfs/dbraw/zinc/22/67/11/619226711.db2.gz BEDSSPBCFBVNHY-HOCLYGCPSA-N 1 0 278.465 3.435 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000840936520 619227429 /nfs/dbraw/zinc/22/74/29/619227429.db2.gz KTRDSLBDBZZADF-FUHWJXTLSA-N 1 0 290.451 3.044 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCC(C)(F)F ZINC000840949059 619250640 /nfs/dbraw/zinc/25/06/40/619250640.db2.gz MWZIMVBLHHMCTR-UHFFFAOYSA-N 1 0 256.340 3.196 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H]1CCOC(C)(C)C1 ZINC000840952480 619255903 /nfs/dbraw/zinc/25/59/03/619255903.db2.gz AUEOPDOHXFYRBJ-HNNXBMFYSA-N 1 0 290.451 3.356 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CCSC3(CCC3)CC2)c1 ZINC000840955006 619261408 /nfs/dbraw/zinc/26/14/08/619261408.db2.gz PZYIUTWAHCPNHK-UHFFFAOYSA-N 1 0 293.432 3.262 20 10 CGCDRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1ccc(OC)c(OC)c1O ZINC000893677102 619277582 /nfs/dbraw/zinc/27/75/82/619277582.db2.gz QBGHNVXQDYIDQP-DGCLKSJQSA-N 1 0 279.380 3.030 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@H](C)[C@@](C)(OC)C2CC2)c1 ZINC000840961676 619281330 /nfs/dbraw/zinc/28/13/30/619281330.db2.gz XLNVCZJSDBXVHB-SJKOYZFVSA-N 1 0 293.407 3.084 20 10 CGCDRO C[C@@H]([NH2+]Cc1cccc(O)c1)c1cc(F)ccc1O ZINC000185300421 625337519 /nfs/dbraw/zinc/33/75/19/625337519.db2.gz YNUQWVLVMRKSNI-SNVBAGLBSA-N 1 0 261.296 3.088 20 10 CGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@H]1COC2(CCC2)C1 ZINC000894047051 619358511 /nfs/dbraw/zinc/35/85/11/619358511.db2.gz QNCHRKNAKXTGTL-MRXNPFEDSA-N 1 0 274.408 3.073 20 10 CGCDRO Cc1ccc(C[NH2+]C[C@]2(C)CC2(Cl)Cl)c(O)c1 ZINC000877564464 619409525 /nfs/dbraw/zinc/40/95/25/619409525.db2.gz BIHUEPAIDFAEAI-LBPRGKRZSA-N 1 0 274.191 3.374 20 10 CGCDRO OCCC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000924900477 619429720 /nfs/dbraw/zinc/42/97/20/619429720.db2.gz NOQICKNQLQRRJT-RDJZCZTQSA-N 1 0 289.419 3.042 20 10 CGCDRO COc1ccc(C[NH2+][C@H](C)c2ccsc2)c(O)c1OC ZINC000894264612 619452980 /nfs/dbraw/zinc/45/29/80/619452980.db2.gz NJOZDWUGICHQMG-SNVBAGLBSA-N 1 0 293.388 3.322 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@@H](c2cccnc2)C2CC2)c1O ZINC000894367725 619507018 /nfs/dbraw/zinc/50/70/18/619507018.db2.gz IMJURRHPLNBJAG-QGZVFWFLSA-N 1 0 298.386 3.345 20 10 CGCDRO CCCC[C@H](C)[N@H+](C)Cc1ccc(OC)c(OC)c1O ZINC000894557346 619571340 /nfs/dbraw/zinc/57/13/40/619571340.db2.gz YWKKPQIDEHBMFA-LBPRGKRZSA-N 1 0 281.396 3.420 20 10 CGCDRO COc1cc(C)cc(C[NH2+]C[C@H]2CCOC(C)(C)C2)c1O ZINC000894966081 619688392 /nfs/dbraw/zinc/68/83/92/619688392.db2.gz IMMXQDMLFFXIJK-ZDUSSCGKSA-N 1 0 293.407 3.004 20 10 CGCDRO COc1ccc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)c(O)c1OC ZINC000895086666 619721809 /nfs/dbraw/zinc/72/18/09/619721809.db2.gz POXCPBMFBSOKIY-JSGCOSHPSA-N 1 0 291.391 3.174 20 10 CGCDRO COc1cc(C)cc(C[NH2+]C[C@H](OC)C2CCCC2)c1O ZINC000895334854 619806817 /nfs/dbraw/zinc/80/68/17/619806817.db2.gz HUDRHNXBVJGTRP-INIZCTEOSA-N 1 0 293.407 3.004 20 10 CGCDRO COc1ccc(C[NH2+]C[C@H](CC(C)C)OC)cc1C ZINC000841887963 619813687 /nfs/dbraw/zinc/81/36/87/619813687.db2.gz BFDMLFXMCPVMFU-HNNXBMFYSA-N 1 0 265.397 3.154 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@@H]2CCCC[C@@H]2F)c1O ZINC000895441168 619829869 /nfs/dbraw/zinc/82/98/69/619829869.db2.gz YDVXONKTTPIISP-QWHCGFSZSA-N 1 0 267.344 3.080 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2nccn2CC(C)C)c(O)c1 ZINC000185546107 625374567 /nfs/dbraw/zinc/37/45/67/625374567.db2.gz PNSPXLNMTGTHKM-CQSZACIVSA-N 1 0 287.407 3.404 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](CF)C2)c(Cl)c1 ZINC000895574369 619852605 /nfs/dbraw/zinc/85/26/05/619852605.db2.gz WFWQVDOGIWIKFV-JTQLQIEISA-N 1 0 257.736 3.145 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@@H](c2nccs2)C1 ZINC000895585746 619855397 /nfs/dbraw/zinc/85/53/97/619855397.db2.gz ZBRWYYFNHZXWSP-SNVBAGLBSA-N 1 0 294.807 3.492 20 10 CGCDRO Cc1ccc(C[NH2+]C(C)(C)[C@H](O)c2ccccc2)c(O)c1 ZINC000895661743 619866427 /nfs/dbraw/zinc/86/64/27/619866427.db2.gz JRFTZRQKKNEUMB-QGZVFWFLSA-N 1 0 285.387 3.302 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]C[C@H]1CCC2(CCC2)CO1 ZINC000895808801 619887498 /nfs/dbraw/zinc/88/74/98/619887498.db2.gz DDCWSPIPYSHMJI-CQSZACIVSA-N 1 0 275.392 3.140 20 10 CGCDRO CCc1cccc(C[NH2+]CC2(C3(O)CCC3)CCC2)c1O ZINC000895869047 619900314 /nfs/dbraw/zinc/90/03/14/619900314.db2.gz WJGADKWWGJBHON-UHFFFAOYSA-N 1 0 289.419 3.130 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H]2C[C@@](C)(OC)C2(C)C)c1O ZINC000072926486 625380004 /nfs/dbraw/zinc/38/00/04/625380004.db2.gz LIVRYJWHXVMXHR-RHSMWYFYSA-N 1 0 293.407 3.084 20 10 CGCDRO CCC[C@H](C)CC[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000895997067 619922773 /nfs/dbraw/zinc/92/27/73/619922773.db2.gz DLKNCUAUHAMXIA-LBPRGKRZSA-N 1 0 281.396 3.325 20 10 CGCDRO Cc1cccc(C[NH2+][C@H](c2ccccn2)C2CC2)c1O ZINC000896613299 620035560 /nfs/dbraw/zinc/03/55/60/620035560.db2.gz SOJSJQCSZROVJZ-INIZCTEOSA-N 1 0 268.360 3.337 20 10 CGCDRO Cc1ccc(C)c(C[NH2+]Cc2c([O-])cccc2F)c1 ZINC000896640983 620042455 /nfs/dbraw/zinc/04/24/55/620042455.db2.gz NKYNOMLCHKYXKQ-UHFFFAOYSA-N 1 0 259.324 3.438 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2nc3c(s2)CCCC3)c(O)c1 ZINC000896823149 620071607 /nfs/dbraw/zinc/07/16/07/620071607.db2.gz SFWWODJUYKSTER-UHFFFAOYSA-N 1 0 288.416 3.326 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]C[C@]2(C)CCCCO2)c1O ZINC000896924792 620103295 /nfs/dbraw/zinc/10/32/95/620103295.db2.gz OMUFGVIHCROSDW-HNNXBMFYSA-N 1 0 299.798 3.103 20 10 CGCDRO CC(C)C[C@H](CCO)C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000185615534 625397145 /nfs/dbraw/zinc/39/71/45/625397145.db2.gz JHYKVZYRFQHLGY-STQMWFEESA-N 1 0 283.387 3.227 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000897269360 620175630 /nfs/dbraw/zinc/17/56/30/620175630.db2.gz CTIKIEUWGVREGM-MRXNPFEDSA-N 1 0 289.419 3.339 20 10 CGCDRO CC[C@H]([NH2+]CC[C@@H]1CCCC[C@@H]1O)c1ccccc1O ZINC000897536325 620380108 /nfs/dbraw/zinc/38/01/08/620380108.db2.gz HKAMQXXGNPEBHJ-BPUTZDHNSA-N 1 0 277.408 3.374 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)c1ccc(Cl)cc1O)[C@H](O)C(C)C ZINC000841756271 620402430 /nfs/dbraw/zinc/40/24/30/620402430.db2.gz SLFCTSCRXXNXOI-RIEGTJTDSA-N 1 0 285.815 3.492 20 10 CGCDRO C[C@@H]([NH2+]C[C@H](O)CC(C)(C)C)c1ccc(Cl)cc1O ZINC000841757333 620404283 /nfs/dbraw/zinc/40/42/83/620404283.db2.gz DOHISQNORKATFG-ZYHUDNBSSA-N 1 0 285.815 3.493 20 10 CGCDRO CO[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1O)C1CC1 ZINC000841759556 620405997 /nfs/dbraw/zinc/40/59/97/620405997.db2.gz ZTZLCDHFRGOQBM-XPTSAGLGSA-N 1 0 269.772 3.121 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCOC23CCCCC3)c1 ZINC000897728627 620422340 /nfs/dbraw/zinc/42/23/40/620422340.db2.gz JQWIPBPELCYEJJ-MRXNPFEDSA-N 1 0 275.392 3.282 20 10 CGCDRO CCOc1ccc(C[NH+]2CC(Cc3ccoc3)C2)c(O)c1 ZINC000898160514 620484226 /nfs/dbraw/zinc/48/42/26/620484226.db2.gz IDPAQGLPXBOUCE-UHFFFAOYSA-N 1 0 287.359 3.058 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCc2cccnc2C)cc1Cl ZINC000898251763 620497656 /nfs/dbraw/zinc/49/76/56/620497656.db2.gz KXSWEEGBEHSKLU-UHFFFAOYSA-N 1 0 290.794 3.390 20 10 CGCDRO C[C@@H](C[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccccc1 ZINC000841044974 620543486 /nfs/dbraw/zinc/54/34/86/620543486.db2.gz HCBFJUXBRQINGL-HNAYVOBHSA-N 1 0 297.446 3.146 20 10 CGCDRO CCCCC[C@H](C)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000841046267 620543865 /nfs/dbraw/zinc/54/38/65/620543865.db2.gz YRTUSQQLUZKFIN-YOEHRIQHSA-N 1 0 277.456 3.311 20 10 CGCDRO CC(C)(C)C(C)(C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000314980918 620545743 /nfs/dbraw/zinc/54/57/43/620545743.db2.gz XMSLZDFGCGKLLD-UHFFFAOYSA-N 1 0 290.451 3.438 20 10 CGCDRO CCC[C@@H](O)CC[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000927016077 620561628 /nfs/dbraw/zinc/56/16/28/620561628.db2.gz HNSPRHRJSMWCPV-ZYHUDNBSSA-N 1 0 271.788 3.247 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@]2(C)CCCCO2)c1 ZINC000927015232 620561815 /nfs/dbraw/zinc/56/18/15/620561815.db2.gz ADIAFUVBLPEGKI-BLLLJJGKSA-N 1 0 279.380 3.011 20 10 CGCDRO CCc1onc(C)c1C[NH2+][C@H](CC)c1ccccc1O ZINC000927139668 620599536 /nfs/dbraw/zinc/59/95/36/620599536.db2.gz NQVFZJLWLOADJH-CQSZACIVSA-N 1 0 274.364 3.492 20 10 CGCDRO CNc1ccccc1C[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000902134314 621151695 /nfs/dbraw/zinc/15/16/95/621151695.db2.gz CUWJKXRJVCIZKS-UHFFFAOYSA-N 1 0 295.430 3.401 20 10 CGCDRO c1csc(SCCC[NH2+][C@H]2CCOC23CCCC3)n1 ZINC000903098623 621571968 /nfs/dbraw/zinc/57/19/68/621571968.db2.gz RRHUKANWGSYKQY-LBPRGKRZSA-N 1 0 298.477 3.317 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cc(N(C)C)ccn1)c1ccc(C)cc1O ZINC000903198617 621623331 /nfs/dbraw/zinc/62/33/31/621623331.db2.gz NEOFPXPJYCQNRW-QGZVFWFLSA-N 1 0 299.418 3.403 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2C[C@H]2[C@@H]2C[C@H]2C)c1O ZINC000903255714 621644215 /nfs/dbraw/zinc/64/42/15/621644215.db2.gz ZONISAGJVJXYLK-GPXIKIIXSA-N 1 0 261.365 3.096 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]Cc2cnn(CCF)c2)c(O)c1C ZINC000903274946 621658095 /nfs/dbraw/zinc/65/80/95/621658095.db2.gz UGQLIRRWYNEAIV-ZDUSSCGKSA-N 1 0 291.370 3.026 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C2CC3(C2)CO[C@H](C)C3)c1O ZINC000903280560 621660573 /nfs/dbraw/zinc/66/05/73/621660573.db2.gz VFBDNIHZTXIWTH-ZHEUNLNZSA-N 1 0 291.391 3.009 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCOc2ccc(C#N)cc2)c(O)c1 ZINC000186080256 625511616 /nfs/dbraw/zinc/51/16/16/625511616.db2.gz KQOXKZATFLYGNN-AWEZNQCLSA-N 1 0 296.370 3.302 20 10 CGCDRO CO[C@]1(C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)CCSC1 ZINC000903314096 621684964 /nfs/dbraw/zinc/68/49/64/621684964.db2.gz GXFXIBIAWSONAE-BBRMVZONSA-N 1 0 295.448 3.182 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](c2ncccn2)C2CC2)c1 ZINC000903327829 621701887 /nfs/dbraw/zinc/70/18/87/621701887.db2.gz ZPJFEKJSUZEUGR-MLGOLLRUSA-N 1 0 283.375 3.293 20 10 CGCDRO CC[C@H]([NH2+]C[C@@]1(OC(C)C)CCOC1)c1ccccc1O ZINC000903356785 621713701 /nfs/dbraw/zinc/71/37/01/621713701.db2.gz HETALYCSVYDJNX-RDJZCZTQSA-N 1 0 293.407 3.017 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(CCO)cc1)c1ccc(N(C)C)cc1 ZINC000903396178 621720295 /nfs/dbraw/zinc/72/02/95/621720295.db2.gz JXXJBVDKEPSFPJ-HNNXBMFYSA-N 1 0 298.430 3.138 20 10 CGCDRO C[C@H]([NH2+][C@H]1COC[C@@H]1C)c1ccc(N2CCCCC2)cc1 ZINC000903400773 621739972 /nfs/dbraw/zinc/73/99/72/621739972.db2.gz WPTDYVSCOKHOQZ-MPGHIAIKSA-N 1 0 288.435 3.362 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+][C@@H]2Cc3ccccc3[C@H]2O)c(O)c1 ZINC000903440556 621748801 /nfs/dbraw/zinc/74/88/01/621748801.db2.gz QGCSUUIYYUYCTQ-VVFCZOMOSA-N 1 0 297.398 3.318 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2Cc3ccccc3[C@H]2O)c1 ZINC000903440372 621749002 /nfs/dbraw/zinc/74/90/02/621749002.db2.gz OKBXLWVURVHYTP-XHBKTUGNSA-N 1 0 283.371 3.010 20 10 CGCDRO C[C@@H]1CCC[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)[C@@H]1C ZINC000042879332 621886308 /nfs/dbraw/zinc/88/63/08/621886308.db2.gz HMQSCTIIBLDNNZ-WZRBSPASSA-N 1 0 277.364 3.035 20 10 CGCDRO COc1cccc(C[NH2+][C@@H]2CCCC(C)(C)C2)c1O ZINC000149428421 622305693 /nfs/dbraw/zinc/30/56/93/622305693.db2.gz XIGRFIDQIWGDCX-CYBMUJFWSA-N 1 0 263.381 3.459 20 10 CGCDRO CCOc1ccc(C[N@@H+]2C[C@@H](C)CC[C@H]2C)c(O)c1 ZINC000769445666 625568687 /nfs/dbraw/zinc/56/86/87/625568687.db2.gz JZBUSCIDFDXMFJ-QWHCGFSZSA-N 1 0 263.381 3.411 20 10 CGCDRO CC[C@@H](C)[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000163615349 622683422 /nfs/dbraw/zinc/68/34/22/622683422.db2.gz ZOTUPMWJHZRWGP-CYBMUJFWSA-N 1 0 264.438 3.128 20 10 CGCDRO CC[C@H](C)C[N@H+](CC)Cc1cccc(OC)c1O ZINC000156088427 622685508 /nfs/dbraw/zinc/68/55/08/622685508.db2.gz LDEOFLKSIUNLNO-LBPRGKRZSA-N 1 0 251.370 3.269 20 10 CGCDRO CC[N@@H+](Cc1cc(C)cc(OC)c1O)CC(C)C ZINC000164090236 622813462 /nfs/dbraw/zinc/81/34/62/622813462.db2.gz AYFSLNFKMCJLFA-UHFFFAOYSA-N 1 0 251.370 3.187 20 10 CGCDRO COc1cc(C)cc(C[NH+](CC2CC2)CC2CC2)c1O ZINC000164336723 622828541 /nfs/dbraw/zinc/82/85/41/622828541.db2.gz MPFZGUPCYZLOSJ-UHFFFAOYSA-N 1 0 275.392 3.331 20 10 CGCDRO CC1(C[NH2+]Cc2cc(Br)ccc2O)CC1 ZINC000224173640 622870621 /nfs/dbraw/zinc/87/06/21/622870621.db2.gz CKLTWBCLSCSZNK-UHFFFAOYSA-N 1 0 270.170 3.044 20 10 CGCDRO CCN(CC)C[C@H](C)[NH2+][C@H](C)c1ccc(C)cc1O ZINC000045691449 622886994 /nfs/dbraw/zinc/88/69/94/622886994.db2.gz SHEWYHYILNSHJQ-UONOGXRCSA-N 1 0 264.413 3.082 20 10 CGCDRO Oc1ccccc1C[NH2+]Cc1ccc2ncccc2c1 ZINC000166514007 622889757 /nfs/dbraw/zinc/88/97/57/622889757.db2.gz YHHXVNGZAPVTNQ-UHFFFAOYSA-N 1 0 264.328 3.230 20 10 CGCDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000158007208 622993283 /nfs/dbraw/zinc/99/32/83/622993283.db2.gz SFEIHMVAWUSLDP-HOTGVXAUSA-N 1 0 288.435 3.001 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCCS2)c1O ZINC000228676022 623071579 /nfs/dbraw/zinc/07/15/79/623071579.db2.gz NSJJZUWBGRAUBV-NSHDSACASA-N 1 0 287.812 3.039 20 10 CGCDRO CC(C)C(C[NH2+]Cc1cc2c(cc1O)OCO2)C(C)C ZINC000229534402 623140305 /nfs/dbraw/zinc/14/03/05/623140305.db2.gz ZJCNZOTVWFNUHQ-UHFFFAOYSA-N 1 0 279.380 3.139 20 10 CGCDRO Fc1cccc(C[NH2+]Cc2ccc3c(c2)CCCO3)c1 ZINC000921516001 625624597 /nfs/dbraw/zinc/62/45/97/625624597.db2.gz WSXWBXRRCDKVKF-UHFFFAOYSA-N 1 0 271.335 3.441 20 10 CGCDRO COc1ccc(O)c(C[NH2+]Cc2ccc([C@H]3C[C@H]3C)o2)c1 ZINC000172015633 623207420 /nfs/dbraw/zinc/20/74/20/623207420.db2.gz DLIUZFQMSDKVEX-ABAIWWIYSA-N 1 0 287.359 3.407 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCC[C@@H]2C)c1 ZINC000230655319 623255083 /nfs/dbraw/zinc/25/50/83/623255083.db2.gz SWAYNSFILRXIKY-AVGNSLFASA-N 1 0 263.381 3.488 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H]2CC[C@H](SC)C2)c1O ZINC000230699008 623263986 /nfs/dbraw/zinc/26/39/86/623263986.db2.gz FLSJDJDQLWPVRL-OLZOCXBDSA-N 1 0 281.421 3.165 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H](CCO)C(C)C)cc1 ZINC000230689177 623265048 /nfs/dbraw/zinc/26/50/48/623265048.db2.gz VDQZSJPLYZIPKN-QGZVFWFLSA-N 1 0 278.440 3.029 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](C)CN(C)C(C)C)c1ccccc1O ZINC000311703081 623460397 /nfs/dbraw/zinc/46/03/97/623460397.db2.gz MMNZGLQXMBKPRM-DZGCQCFKSA-N 1 0 264.413 3.162 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCCCC[C@@H]2C)c1 ZINC000088507401 623463133 /nfs/dbraw/zinc/46/31/33/623463133.db2.gz SLRMBXPMSAAHBZ-SWLSCSKDSA-N 1 0 263.381 3.459 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCCCC[C@H]2C)c1 ZINC000088507399 623463270 /nfs/dbraw/zinc/46/32/70/623463270.db2.gz SLRMBXPMSAAHBZ-IUODEOHRSA-N 1 0 263.381 3.459 20 10 CGCDRO CC[C@H]([NH2+]Cc1cc(Br)ccc1O)C1CC1 ZINC000324366952 623876654 /nfs/dbraw/zinc/87/66/54/623876654.db2.gz WXIIKRCPCRTAOS-LBPRGKRZSA-N 1 0 284.197 3.433 20 10 CGCDRO CCC[C@H](C)[N@H+](C)Cc1cc(C)cc(OC)c1O ZINC000754726525 623939833 /nfs/dbraw/zinc/93/98/33/623939833.db2.gz QJUTWZVHYTWWOE-LBPRGKRZSA-N 1 0 251.370 3.330 20 10 CGCDRO CC[C@H]1CCCC[N@@H+]1Cc1cc(C)cc(OC)c1O ZINC000915790351 624029113 /nfs/dbraw/zinc/02/91/13/624029113.db2.gz SXMTVRLUURQUOI-AWEZNQCLSA-N 1 0 263.381 3.474 20 10 CGCDRO Oc1ccc(CC[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC000921599900 625693466 /nfs/dbraw/zinc/69/34/66/625693466.db2.gz LABSKCFAOGHMCJ-UHFFFAOYSA-N 1 0 283.371 3.050 20 10 CGCDRO CCC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(N(C)CC)cc1 ZINC000765945936 624034035 /nfs/dbraw/zinc/03/40/35/624034035.db2.gz RJQYPSFXNGBFGW-WMLDXEAASA-N 1 0 278.440 3.344 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CCc3ccccc3C2)c1 ZINC000154427177 624277701 /nfs/dbraw/zinc/27/77/01/624277701.db2.gz KZZFWZMGCHGHAF-UHFFFAOYSA-N 1 0 283.371 3.349 20 10 CGCDRO CCCN(CC(=O)OC)Cc1cc(C(C)C)c(C)cc1O ZINC000918177715 624340231 /nfs/dbraw/zinc/34/02/31/624340231.db2.gz JAGXMEHDTNLDHV-UHFFFAOYSA-N 1 0 293.407 3.209 20 10 CGCDRO C[C@@H]1CN(Cc2ccccc2)CC[N@@H+]1Cc1ccccc1O ZINC000179573595 624663774 /nfs/dbraw/zinc/66/37/74/624663774.db2.gz SRAZJPUROOUHSV-MRXNPFEDSA-N 1 0 296.414 3.099 20 10 CGCDRO Cc1cccc(C[NH+]2CCC(OCC(C)C)CC2)c1O ZINC000179807271 624687172 /nfs/dbraw/zinc/68/71/72/624687172.db2.gz ZNSUHUIVBHJVIF-UHFFFAOYSA-N 1 0 277.408 3.338 20 10 CGCDRO Oc1ccc(F)cc1C[N@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000180200805 624726533 /nfs/dbraw/zinc/72/65/33/624726533.db2.gz WUHREJPDCNVZAH-MRXNPFEDSA-N 1 0 293.382 3.455 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H]2CC(C)(C)OC2(C)C)cc1C ZINC000180367251 624743055 /nfs/dbraw/zinc/74/30/55/624743055.db2.gz RYLDHGUYNMPTPM-HNNXBMFYSA-N 1 0 277.408 3.445 20 10 CGCDRO COc1cccc(C[NH2+][C@@H](C)c2nc(C)cs2)c1O ZINC000069168208 624801717 /nfs/dbraw/zinc/80/17/17/624801717.db2.gz UZFKXYGTRBMJBI-JTQLQIEISA-N 1 0 278.377 3.017 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCC=C(Br)C1 ZINC000877502160 635063117 /nfs/dbraw/zinc/06/31/17/635063117.db2.gz ZYXIARVDJMHZOK-UHFFFAOYSA-N 1 0 282.181 3.185 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCc2ccc3c(c2)OCO3)c(O)c1 ZINC000184896910 625279019 /nfs/dbraw/zinc/27/90/19/625279019.db2.gz UGHMVVAOPCVWOM-ZDUSSCGKSA-N 1 0 299.370 3.323 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H](C)[C@H](c2ccccc2)N(C)C)c1O ZINC000186457568 625860709 /nfs/dbraw/zinc/86/07/09/625860709.db2.gz HGWLKUGALTVJGP-MAUKXSAKSA-N 1 0 298.430 3.482 20 10 CGCDRO Oc1ccc(C[NH2+]Cc2ccc3c(c2)CCCO3)cc1F ZINC000921767020 625868837 /nfs/dbraw/zinc/86/88/37/625868837.db2.gz WFAZNKWDGLFLBS-UHFFFAOYSA-N 1 0 287.334 3.146 20 10 CGCDRO CC[C@@H]([NH2+]CC1(CO)CCCC1)c1ccc(N(C)C)cc1 ZINC000186481244 625873705 /nfs/dbraw/zinc/87/37/05/625873705.db2.gz NJOMXELQGVNSHK-QGZVFWFLSA-N 1 0 290.451 3.346 20 10 CGCDRO CSC(C)(C)C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921807068 625883395 /nfs/dbraw/zinc/88/33/95/625883395.db2.gz MIGSDURQHKPDHC-UHFFFAOYSA-N 1 0 265.422 3.243 20 10 CGCDRO CCO[C@@H]1CCC[C@H]([NH2+][C@H](C)c2cc(OC)ccc2O)C1 ZINC000922217089 625985076 /nfs/dbraw/zinc/98/50/76/625985076.db2.gz LUEDLXKBBXWLMJ-VNHYZAJKSA-N 1 0 293.407 3.399 20 10 CGCDRO C[C@H](C[NH2+]Cc1ccc2c(c1)CCCO2)c1ccccn1 ZINC000922234638 625988140 /nfs/dbraw/zinc/98/81/40/625988140.db2.gz LHNMCBYLFSPSTP-CQSZACIVSA-N 1 0 282.387 3.300 20 10 CGCDRO C[C@]1(C[NH2+]Cc2ccc3c(c2)CCCO3)CC1(F)F ZINC000922248549 625989791 /nfs/dbraw/zinc/98/97/91/625989791.db2.gz DNIBVRXOARVJSA-CQSZACIVSA-N 1 0 267.319 3.147 20 10 CGCDRO CCO[C@H]1CCC[C@@H]([NH2+]Cc2cc(C)ccc2O)C1 ZINC000922285655 625993157 /nfs/dbraw/zinc/99/31/57/625993157.db2.gz OAOAKNYUOGRKTC-CABCVRRESA-N 1 0 263.381 3.138 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2ccc3c(c2)C[C@H](C)O3)c1 ZINC000922283497 625993205 /nfs/dbraw/zinc/99/32/05/625993205.db2.gz BNUHVWKAXGHQKB-ZDUSSCGKSA-N 1 0 283.371 3.314 20 10 CGCDRO COc1ccc(C[NH2+]Cc2c(C)cc(CO)cc2C)cc1C ZINC000922559220 626012544 /nfs/dbraw/zinc/01/25/44/626012544.db2.gz CDYSASPOOFXDIH-UHFFFAOYSA-N 1 0 299.414 3.403 20 10 CGCDRO CC(C)(/C=C/Cl)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000922648423 626025037 /nfs/dbraw/zinc/02/50/37/626025037.db2.gz JCLWOAPOSVCVCA-VOTSOKGWSA-N 1 0 251.757 3.242 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)c(Cl)c1 ZINC000922718197 626037345 /nfs/dbraw/zinc/03/73/45/626037345.db2.gz SGFAYGWAOQTGAT-XQQFMLRXSA-N 1 0 293.794 3.035 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2c(O)cccc2Cl)CCS1 ZINC000922836254 626053612 /nfs/dbraw/zinc/05/36/12/626053612.db2.gz LCJOEJUFNFLRHY-ZJUUUORDSA-N 1 0 271.813 3.419 20 10 CGCDRO CCc1onc(C)c1C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000922985267 626113322 /nfs/dbraw/zinc/11/33/22/626113322.db2.gz ZEGPBNOAJCCGGQ-SREVYHEPSA-N 1 0 299.418 3.414 20 10 CGCDRO CC[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccc(F)cc1[O-] ZINC000840808750 626190107 /nfs/dbraw/zinc/19/01/07/626190107.db2.gz DTOAAMXSDQHGDB-BBRMVZONSA-N 1 0 294.414 3.304 20 10 CGCDRO CO[C@@H]1C[C@H]([NH2+]Cc2cc(C)c(C)cc2O)C12CCC2 ZINC000839180511 626326172 /nfs/dbraw/zinc/32/61/72/626326172.db2.gz DOZJHOFEBWHOTK-JKSUJKDBSA-N 1 0 275.392 3.056 20 10 CGCDRO CCOc1cccc(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)c1O ZINC000839192443 626328533 /nfs/dbraw/zinc/32/85/33/626328533.db2.gz SRTZWYCBMMYAEL-XBFCOCLRSA-N 1 0 261.365 3.069 20 10 CGCDRO CC[C@@H]1OCC[C@H]1[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000840820739 626338880 /nfs/dbraw/zinc/33/88/80/626338880.db2.gz KLTDPIOLGNCJER-WUWHUORYSA-N 1 0 279.355 3.237 20 10 CGCDRO CC[C@H]([NH2+]CCOC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000788980028 626357778 /nfs/dbraw/zinc/35/77/78/626357778.db2.gz KDWKEUJBGKJQGM-ZDUSSCGKSA-N 1 0 290.329 3.330 20 10 CGCDRO CS[C@H](C[NH2+]Cc1cc(F)ccc1O)C(C)(C)C ZINC000753567589 626455580 /nfs/dbraw/zinc/45/55/80/626455580.db2.gz BHQGXALAANFLPS-CYBMUJFWSA-N 1 0 271.401 3.399 20 10 CGCDRO Cc1cc(C[N@H+]2CCOC[C@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000753983499 626470671 /nfs/dbraw/zinc/47/06/71/626470671.db2.gz CSUZEIVSMAPNIB-CQSZACIVSA-N 1 0 291.435 3.466 20 10 CGCDRO CC(C)[C@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)cc2)CS1 ZINC000754124802 626559402 /nfs/dbraw/zinc/55/94/02/626559402.db2.gz CNLRFLRQAHFDKI-GOEBONIOSA-N 1 0 278.465 3.372 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CC[C@H](C(C)C)C2)c1O ZINC000754740430 626585992 /nfs/dbraw/zinc/58/59/92/626585992.db2.gz RTDQSWQUTKCCKT-ZDUSSCGKSA-N 1 0 263.381 3.187 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCc2cnc(C3CC3)nc2)cc1C ZINC000756035825 626671197 /nfs/dbraw/zinc/67/11/97/626671197.db2.gz XDZLQFMKZXBVOQ-UHFFFAOYSA-N 1 0 297.402 3.009 20 10 CGCDRO C[C@H]([NH2+]C[C@H](C)N1CCCC[C@@H]1C)c1cc(F)ccc1O ZINC000756409921 626702773 /nfs/dbraw/zinc/70/27/73/626702773.db2.gz CGAUWNWYLNORNE-IHRRRGAJSA-N 1 0 294.414 3.445 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccccc2CO)c1 ZINC000756461180 626707705 /nfs/dbraw/zinc/70/77/05/626707705.db2.gz WJJOMVGMAJNECK-ZDUSSCGKSA-N 1 0 271.360 3.044 20 10 CGCDRO CC[C@H](C)N(C)CC[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756529288 626712453 /nfs/dbraw/zinc/71/24/53/626712453.db2.gz RPHOHFIYZZREQD-OBJOEFQTSA-N 1 0 294.414 3.400 20 10 CGCDRO CCN(CC)C[C@@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000756536430 626713151 /nfs/dbraw/zinc/71/31/51/626713151.db2.gz VRLIPXGPORWSKT-NEPJUHHUSA-N 1 0 284.831 3.427 20 10 CGCDRO Cc1cc(C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)on1 ZINC000756542510 626714094 /nfs/dbraw/zinc/71/40/94/626714094.db2.gz AUIWMTDIRDMHQG-UFBFGSQYSA-N 1 0 276.311 3.166 20 10 CGCDRO CCC[C@@](C)(O)C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000756575630 626716890 /nfs/dbraw/zinc/71/68/90/626716890.db2.gz IHKHQYFQWUGEFH-SCLBCKFNSA-N 1 0 291.435 3.473 20 10 CGCDRO CC[C@H](C)[C@](C)(O)C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756579084 626717385 /nfs/dbraw/zinc/71/73/85/626717385.db2.gz YUIMPIJASIRIHP-JJTUWOBKSA-N 1 0 295.398 3.466 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]C[C@H](O)CC(C)(C)C)c2c1c(F)ccc2O ZINC000756590529 626718542 /nfs/dbraw/zinc/71/85/42/626718542.db2.gz OATXPIADEUITHN-NQBHXWOUSA-N 1 0 295.398 3.466 20 10 CGCDRO CC[C@H](C[C@H](C)CO)[NH2+][C@H](C)c1cc(C)ccc1O ZINC000756626321 626721483 /nfs/dbraw/zinc/72/14/83/626721483.db2.gz NTIUQFYCAUBKFD-BFHYXJOUSA-N 1 0 265.397 3.148 20 10 CGCDRO CO[C@H](C[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F)C(C)C ZINC000756626387 626721507 /nfs/dbraw/zinc/72/15/07/626721507.db2.gz ORGZXQGYIFUVRN-MPKXVKKWSA-N 1 0 281.371 3.340 20 10 CGCDRO CCCN(CC)CC[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000756638022 626723493 /nfs/dbraw/zinc/72/34/93/626723493.db2.gz QKYDGPHSTICLQF-GFCCVEGCSA-N 1 0 284.831 3.428 20 10 CGCDRO CCCN(CC)CC[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000756638087 626723582 /nfs/dbraw/zinc/72/35/82/626723582.db2.gz RMPXSAGQYYQUDQ-HNNXBMFYSA-N 1 0 278.440 3.392 20 10 CGCDRO C[C@H](C[C@@H]1CCOC1)[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756645718 626724021 /nfs/dbraw/zinc/72/40/21/626724021.db2.gz JJJRHHKNRZPCNL-NRWUCQMLSA-N 1 0 293.382 3.484 20 10 CGCDRO CC[C@H](O)CCC[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000756731470 626728388 /nfs/dbraw/zinc/72/83/88/626728388.db2.gz BLOGJMMFXHCMQU-KGLIPLIRSA-N 1 0 265.397 3.211 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)CC2CCOCC2)c1 ZINC000756736975 626728573 /nfs/dbraw/zinc/72/85/73/626728573.db2.gz QQXNMRBOKGVKLP-STQMWFEESA-N 1 0 293.407 3.257 20 10 CGCDRO Cc1ccsc1[C@@H](CO)[NH2+][C@H](C)c1cc(C)ccc1O ZINC000756735613 626728606 /nfs/dbraw/zinc/72/86/06/626728606.db2.gz GEEBLUSUCCLWTP-TZMCWYRMSA-N 1 0 291.416 3.455 20 10 CGCDRO C[C@@H]([NH2+][C@H](CCO)C1CC1)c1ccc2ccccc2c1O ZINC000756741222 626729203 /nfs/dbraw/zinc/72/92/03/626729203.db2.gz WENKATMBRZPDJN-SJKOYZFVSA-N 1 0 285.387 3.357 20 10 CGCDRO CS[C@H](C)C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756767354 626729994 /nfs/dbraw/zinc/72/99/94/626729994.db2.gz GLAXWNLBZMGMSV-KKZNHRDASA-N 1 0 269.385 3.421 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCc2cnc(C3CC3)nc2)c(O)c1 ZINC000756768133 626730883 /nfs/dbraw/zinc/73/08/83/626730883.db2.gz AEMGRBHOFVXTJG-ZDUSSCGKSA-N 1 0 297.402 3.261 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCc2ccc(CO)cc2)c(O)c1 ZINC000756792134 626733153 /nfs/dbraw/zinc/73/31/53/626733153.db2.gz YXWQSFYGJXTFLJ-AWEZNQCLSA-N 1 0 285.387 3.086 20 10 CGCDRO CCN(C)c1ccc(C[NH2+][C@@H](C)C2(OC)CCC2)cc1 ZINC000839660546 626771546 /nfs/dbraw/zinc/77/15/46/626771546.db2.gz MLTJOZFMMXUTTH-AWEZNQCLSA-N 1 0 276.424 3.190 20 10 CGCDRO COC1(C[NH2+][C@H](C)c2ccc(C)c(C)c2O)CCC1 ZINC000757637957 626796412 /nfs/dbraw/zinc/79/64/12/626796412.db2.gz PKCBLUBTJYFFON-CYBMUJFWSA-N 1 0 263.381 3.229 20 10 CGCDRO CCOc1ccc(C[NH2+][C@@H](c2cccnc2)C2CC2)c(O)c1 ZINC000758620813 626851386 /nfs/dbraw/zinc/85/13/86/626851386.db2.gz DOPTUYHCOLBQFJ-GOSISDBHSA-N 1 0 298.386 3.427 20 10 CGCDRO CC(C)(C)OC1CC(CC[NH2+]Cc2ccccc2O)C1 ZINC000762460440 627111123 /nfs/dbraw/zinc/11/11/23/627111123.db2.gz LYWWWTHEHANSLV-UHFFFAOYSA-N 1 0 277.408 3.466 20 10 CGCDRO C[C@H]([NH2+]CCC1CC(O)C1)c1cc2c(cc1O)CCCC2 ZINC000762647140 627118947 /nfs/dbraw/zinc/11/89/47/627118947.db2.gz DNBWMBJKVUTJNK-FUJMWEONSA-N 1 0 289.419 3.083 20 10 CGCDRO COc1ccc(N2CCC([NH2+]C[C@H](C)C3CC3)CC2)cc1 ZINC000765390328 627247789 /nfs/dbraw/zinc/24/77/89/627247789.db2.gz CTJJHCVJNVNUJN-AWEZNQCLSA-N 1 0 288.435 3.300 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+]CCOCC2CCC2)c1O ZINC000765673838 627266390 /nfs/dbraw/zinc/26/63/90/627266390.db2.gz BQJGOKOOJREWIZ-UHFFFAOYSA-N 1 0 283.799 3.260 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCOCC2CCC2)c(O)c1 ZINC000765812772 627272734 /nfs/dbraw/zinc/27/27/34/627272734.db2.gz ZDWJZRYMYFPALX-CYBMUJFWSA-N 1 0 263.381 3.168 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCOCC2CCC2)c1 ZINC000765810327 627273031 /nfs/dbraw/zinc/27/30/31/627273031.db2.gz RTPNYZNSXYIQQG-CYBMUJFWSA-N 1 0 263.381 3.168 20 10 CGCDRO CO[C@H](C)[C@@H](C)[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000765871226 627276221 /nfs/dbraw/zinc/27/62/21/627276221.db2.gz CWZHLUTVXIXOJK-HZPDHXFCSA-N 1 0 290.451 3.436 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000766166432 627300897 /nfs/dbraw/zinc/30/08/97/627300897.db2.gz QWMTWXOTPBQQRH-YQQAZPJKSA-N 1 0 289.467 3.276 20 10 CGCDRO COc1cc[nH+]c(NCc2c(O)cccc2Cl)c1 ZINC000125073177 634563822 /nfs/dbraw/zinc/56/38/22/634563822.db2.gz GSXYFNAZFOGCKQ-UHFFFAOYSA-N 1 0 264.712 3.061 20 10 CGCDRO C[C@H](C[C@H]1CCOC1)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000766583920 627345917 /nfs/dbraw/zinc/34/59/17/627345917.db2.gz XIPZUYFCRXULQV-QLFBSQMISA-N 1 0 276.424 3.218 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCc3cc(O)ccc3C2)c1 ZINC000767727553 627433161 /nfs/dbraw/zinc/43/31/61/627433161.db2.gz KJJLDFWCOAXAEF-MRXNPFEDSA-N 1 0 283.371 3.053 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CC3CCC2CC3)c1 ZINC000767928861 627444974 /nfs/dbraw/zinc/44/49/74/627444974.db2.gz KKELBBQDLZPWAW-ZUEPYMLJSA-N 1 0 275.392 3.459 20 10 CGCDRO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1cc(C)c(C)cc1O ZINC000768172931 627465622 /nfs/dbraw/zinc/46/56/22/627465622.db2.gz RSCQIELROQMATJ-UKRRQHHQSA-N 1 0 263.381 3.008 20 10 CGCDRO CC[N@H+](CCOC)Cc1ccc(N2CCCCC2)cc1 ZINC000768251868 627470838 /nfs/dbraw/zinc/47/08/38/627470838.db2.gz MITQLINLWMZJJI-UHFFFAOYSA-N 1 0 276.424 3.145 20 10 CGCDRO CCC[C@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000768337321 627474006 /nfs/dbraw/zinc/47/40/06/627474006.db2.gz DRCKHUHVVRTTDC-AWEZNQCLSA-N 1 0 294.414 3.283 20 10 CGCDRO CC[C@@H]1C[N@H+](Cc2cc3c(cc2O)CCCC3)C[C@H](C)O1 ZINC000768448628 627480488 /nfs/dbraw/zinc/48/04/88/627480488.db2.gz UFSSLPWJVFWLSH-SUMWQHHRSA-N 1 0 289.419 3.270 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCOc3ccccc3C2)cc1 ZINC000768941945 627510819 /nfs/dbraw/zinc/51/08/19/627510819.db2.gz WIWAVPDMTAMKGA-UHFFFAOYSA-N 1 0 282.387 3.147 20 10 CGCDRO COc1cccc(C[N@@H+]2CCC[C@H]2c2ccc(O)cc2)c1O ZINC000769106705 627523434 /nfs/dbraw/zinc/52/34/34/627523434.db2.gz OABWNQHDKJUDAJ-INIZCTEOSA-N 1 0 299.370 3.444 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+](C)CCN(C)c2ccccc2)c1 ZINC000769382558 627547163 /nfs/dbraw/zinc/54/71/63/627547163.db2.gz YDXRNHNWKXBMFH-UHFFFAOYSA-N 1 0 284.403 3.269 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](c3ccco3)C2)cc1 ZINC000769388963 627547833 /nfs/dbraw/zinc/54/78/33/627547833.db2.gz KDRRGLGRFQGYFO-OAHLLOKOSA-N 1 0 270.376 3.335 20 10 CGCDRO COc1cccc(C[N@@H+]2CC[C@@H]2c2cccc(F)c2)c1O ZINC000769508671 627561051 /nfs/dbraw/zinc/56/10/51/627561051.db2.gz UFWIYQAXMBWXLJ-OAHLLOKOSA-N 1 0 287.334 3.487 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)c2cnccc2C)c1 ZINC000770746940 627642021 /nfs/dbraw/zinc/64/20/21/627642021.db2.gz OXAOZNHNGWWDAU-ZDUSSCGKSA-N 1 0 256.349 3.255 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc3c(c2)CCO3)c(C)n1 ZINC000771383449 627704957 /nfs/dbraw/zinc/70/49/57/627704957.db2.gz LVURZWAFHOTPSW-CYBMUJFWSA-N 1 0 282.387 3.484 20 10 CGCDRO CC[C@H](CSC)[N@H+](C)Cc1cc(C)cc(OC)c1O ZINC000773259552 627869628 /nfs/dbraw/zinc/86/96/28/627869628.db2.gz WCLAHUOVPJUISO-CYBMUJFWSA-N 1 0 283.437 3.283 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(N(C)CC)cc1)[C@H]1CCCO1 ZINC000773838237 627919259 /nfs/dbraw/zinc/91/92/59/627919259.db2.gz LPBOBEUBGOMQJO-DLBZAZTESA-N 1 0 276.424 3.190 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCCN2C2CC2)c(O)c1 ZINC000774376921 627983014 /nfs/dbraw/zinc/98/30/14/627983014.db2.gz CJLDDDDIEIXPLD-GOEBONIOSA-N 1 0 288.435 3.368 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H]1CCCCN1C1CC1)c1ccccc1O ZINC000774379090 627984110 /nfs/dbraw/zinc/98/41/10/627984110.db2.gz NMMGQPIBVLJDHB-RDJZCZTQSA-N 1 0 288.435 3.450 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H](CO)C(C)(C)C)cc1F ZINC000775058701 628059356 /nfs/dbraw/zinc/05/93/56/628059356.db2.gz AHFMOOYXJQZLMB-MRXNPFEDSA-N 1 0 296.430 3.169 20 10 CGCDRO CCOc1ccc(C[NH2+]CC2(OC)CCCCC2)c(O)c1 ZINC000775320346 628082338 /nfs/dbraw/zinc/08/23/38/628082338.db2.gz DKALQJJLIPUGHW-UHFFFAOYSA-N 1 0 293.407 3.230 20 10 CGCDRO COc1cccc(O)c1C[NH2+]CCCCCSC ZINC000775361471 628086096 /nfs/dbraw/zinc/08/60/96/628086096.db2.gz OSTKILBNNJNICK-UHFFFAOYSA-N 1 0 269.410 3.024 20 10 CGCDRO C[C@@H]([NH2+]Cc1[nH]nc2ccccc21)c1ccc(N(C)C)cc1 ZINC000775365074 628086228 /nfs/dbraw/zinc/08/62/28/628086228.db2.gz SDCGQXXKOJKJAR-CYBMUJFWSA-N 1 0 294.402 3.480 20 10 CGCDRO CC(C)n1cc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000775364039 628086434 /nfs/dbraw/zinc/08/64/34/628086434.db2.gz PCRDRZUSIJECJR-CQSZACIVSA-N 1 0 286.423 3.381 20 10 CGCDRO CC[C@H]([NH2+]CCCn1ccnc1C)c1ccccc1O ZINC000775413277 628092686 /nfs/dbraw/zinc/09/26/86/628092686.db2.gz ZWYPGGRTDODUSY-HNNXBMFYSA-N 1 0 273.380 3.028 20 10 CGCDRO CC[C@@H]([NH2+]CCCOC)c1cc(Cl)ccc1O ZINC000775482955 628099030 /nfs/dbraw/zinc/09/90/30/628099030.db2.gz JGYMCMCRUUDFQT-GFCCVEGCSA-N 1 0 257.761 3.123 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCN(C2CC2)C1)c1cc(Cl)ccc1O ZINC000775501838 628101743 /nfs/dbraw/zinc/10/17/43/628101743.db2.gz LVAFRTFHMQMCCB-DOMZBBRYSA-N 1 0 294.826 3.323 20 10 CGCDRO CC[C@@H]([NH2+]CC(C)(C)CCO)c1cc(Cl)ccc1O ZINC000775513223 628102412 /nfs/dbraw/zinc/10/24/12/628102412.db2.gz OZIJFRSJASHLJT-CYBMUJFWSA-N 1 0 285.815 3.495 20 10 CGCDRO CC[C@H]([NH2+]Cc1cc(C)n[nH]1)c1cc(Cl)ccc1O ZINC000775508785 628102584 /nfs/dbraw/zinc/10/25/84/628102584.db2.gz GNEIGFLUQZQJQT-ZDUSSCGKSA-N 1 0 279.771 3.318 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)Cc1ccncc1)c1ccccc1O ZINC000775511348 628102828 /nfs/dbraw/zinc/10/28/28/628102828.db2.gz DWLHMMYQGASQCW-BBRMVZONSA-N 1 0 270.376 3.459 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](C)CCCO)c1cc(Cl)ccc1O ZINC000775512724 628102944 /nfs/dbraw/zinc/10/29/44/628102944.db2.gz MEHZHCNVWZAQSO-GXFFZTMASA-N 1 0 271.788 3.247 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](CCO)C1CC1)c1cc(Cl)ccc1O ZINC000775526877 628104063 /nfs/dbraw/zinc/10/40/63/628104063.db2.gz MUCFXNAWTRVERD-KGLIPLIRSA-N 1 0 283.799 3.247 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](c1nccn1C)C1CC1 ZINC000775635294 628117804 /nfs/dbraw/zinc/11/78/04/628117804.db2.gz VHUYVCUTJXARBT-QGZVFWFLSA-N 1 0 298.434 3.035 20 10 CGCDRO CCC[N@@H+](Cc1cc(OC)c(OC)cc1O)CC(C)C ZINC000775653450 628120432 /nfs/dbraw/zinc/12/04/32/628120432.db2.gz GKEQVFSTRZQETC-UHFFFAOYSA-N 1 0 281.396 3.277 20 10 CGCDRO Cc1cccc(C[N@@H+](C)C2Cc3ccccc3C2)c1O ZINC000775661480 628122190 /nfs/dbraw/zinc/12/21/90/628122190.db2.gz OLQCNZLMOJATIM-UHFFFAOYSA-N 1 0 267.372 3.300 20 10 CGCDRO COC(=O)CC[N@H+](Cc1cc(Cl)cc(C)c1O)C(C)C ZINC000775702575 628127196 /nfs/dbraw/zinc/12/71/96/628127196.db2.gz YMMYLGMKISAXDB-UHFFFAOYSA-N 1 0 299.798 3.128 20 10 CGCDRO CCOC(=O)CCCC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000775836955 628141067 /nfs/dbraw/zinc/14/10/67/628141067.db2.gz PPDFYFBSIATMJG-CQSZACIVSA-N 1 0 292.423 3.137 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CC[C@@H]3CCC[C@H]3C2)c1 ZINC000776175326 628176854 /nfs/dbraw/zinc/17/68/54/628176854.db2.gz PITMXSTWOVFZJQ-KCQAQPDRSA-N 1 0 275.392 3.459 20 10 CGCDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2cc(F)ccc2O)C1(C)C ZINC000779027315 628384216 /nfs/dbraw/zinc/38/42/16/628384216.db2.gz QNBVRGMDAHESFP-LSDHHAIUSA-N 1 0 281.371 3.167 20 10 CGCDRO CC(C)(C)OC1CC([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000779046467 628385641 /nfs/dbraw/zinc/38/56/41/628385641.db2.gz UGTNMLAOCPOWOU-UHFFFAOYSA-N 1 0 275.392 3.057 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCn2ccnc2C1)c1ccc(N(C)C)cc1 ZINC000779067624 628386877 /nfs/dbraw/zinc/38/68/77/628386877.db2.gz XURZRNYGJRCZQA-WBVHZDCISA-N 1 0 298.434 3.005 20 10 CGCDRO CN(C)CC[N@H+](Cc1cc(Cl)ccc1O)C1CCCC1 ZINC000779176105 628392688 /nfs/dbraw/zinc/39/26/88/628392688.db2.gz ZYYVYMSBRHTJLF-UHFFFAOYSA-N 1 0 296.842 3.352 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](C(C)(C)C)[C@H](O)C2)cc1C ZINC000779431847 628413229 /nfs/dbraw/zinc/41/32/29/628413229.db2.gz FOQSZXSMDLCXNM-DOTOQJQBSA-N 1 0 291.435 3.238 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]CC2CC(C)(C)C2)c1 ZINC000780588609 628502902 /nfs/dbraw/zinc/50/29/02/628502902.db2.gz CABVOSQDJJUGHZ-UHFFFAOYSA-N 1 0 263.381 3.317 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCOCC3(CC3)C2)cc1C(C)C ZINC000782296842 628635412 /nfs/dbraw/zinc/63/54/12/628635412.db2.gz BUKHPOJXVUVTTK-UHFFFAOYSA-N 1 0 289.419 3.436 20 10 CGCDRO CC(C)[C@H](CC(F)(F)F)[NH2+]Cc1ccccc1O ZINC000782543761 628653982 /nfs/dbraw/zinc/65/39/82/628653982.db2.gz PBOORLNMBARDQX-NSHDSACASA-N 1 0 261.287 3.459 20 10 CGCDRO C[C@H](O)C[C@H](C)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000782977537 628670663 /nfs/dbraw/zinc/67/06/63/628670663.db2.gz HDSURHFTNRORCE-KBPBESRZSA-N 1 0 285.387 3.308 20 10 CGCDRO C[C@@H](O)C[C@@H](C)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000782977542 628670797 /nfs/dbraw/zinc/67/07/97/628670797.db2.gz HDSURHFTNRORCE-ZIAGYGMSSA-N 1 0 285.387 3.308 20 10 CGCDRO C[C@H]([NH2+]CCn1cnc2ccccc21)c1ccccc1O ZINC000783499629 628718404 /nfs/dbraw/zinc/71/84/04/628718404.db2.gz AHRIIJVVIAJLOO-ZDUSSCGKSA-N 1 0 281.359 3.093 20 10 CGCDRO C[C@H]([NH2+]Cc1cnn(CC(F)(F)F)c1)c1ccccc1O ZINC000783518418 628720930 /nfs/dbraw/zinc/72/09/30/628720930.db2.gz AOKRJROQKPUFNN-JTQLQIEISA-N 1 0 299.296 3.002 20 10 CGCDRO Cc1cc(C)c(O)c(C[NH+]2CCC([C@@H]3CCOC3)CC2)c1 ZINC000784007134 628764905 /nfs/dbraw/zinc/76/49/05/628764905.db2.gz MTCPUXSVCYHMNR-MRXNPFEDSA-N 1 0 289.419 3.258 20 10 CGCDRO Cc1nc(F)ccc1C[NH2+]CCCSc1nccs1 ZINC000785471371 628864912 /nfs/dbraw/zinc/86/49/12/628864912.db2.gz BCBPABYTJMMBAS-UHFFFAOYSA-N 1 0 297.424 3.258 20 10 CGCDRO CO[C@H](CC[NH2+][C@@H](C)c1cc(C)ccc1O)C(F)(F)F ZINC000786954574 628972185 /nfs/dbraw/zinc/97/21/85/628972185.db2.gz STGWREKZJRJRNT-GXFFZTMASA-N 1 0 291.313 3.319 20 10 CGCDRO CCOC(CC[NH2+][C@@H](C)c1ccc(C)cc1O)OCC ZINC000786967666 628973434 /nfs/dbraw/zinc/97/34/34/628973434.db2.gz MWTRAXVLRVFXRA-ZDUSSCGKSA-N 1 0 281.396 3.140 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)c1 ZINC000789518408 629141228 /nfs/dbraw/zinc/14/12/28/629141228.db2.gz YPURXXPSVDKGPX-HZPDHXFCSA-N 1 0 275.392 3.152 20 10 CGCDRO CCOc1cccc(C[N@H+](C)Cc2ccc(C)cn2)c1O ZINC000789588451 629148258 /nfs/dbraw/zinc/14/82/58/629148258.db2.gz BYKPGWIOVZXNFC-UHFFFAOYSA-N 1 0 286.375 3.126 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1N(C)CCCC1(C)C)c1cc(F)ccc1O ZINC000790497571 629213706 /nfs/dbraw/zinc/21/37/06/629213706.db2.gz NBPRFUCEZJMLAW-WBMJQRKESA-N 1 0 294.414 3.302 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCSC2)c2c1c(F)ccc2O ZINC000790495634 629213752 /nfs/dbraw/zinc/21/37/52/629213752.db2.gz JUTBFQNNYXHEAA-CKYFFXLPSA-N 1 0 281.396 3.422 20 10 CGCDRO CCn1ccc(C[N@H+](C)Cc2ccc(N(C)C)c(F)c2)c1 ZINC000792182988 629345572 /nfs/dbraw/zinc/34/55/72/629345572.db2.gz LMESZKPYPYWAQW-UHFFFAOYSA-N 1 0 289.398 3.345 20 10 CGCDRO COCC[N@H+](Cc1c(O)cccc1OC)[C@@H]1CC[C@H](C)C1 ZINC000792192999 629347105 /nfs/dbraw/zinc/34/71/05/629347105.db2.gz PHKLYEQMGJBQIM-UONOGXRCSA-N 1 0 293.407 3.038 20 10 CGCDRO C[C@@H]1C[NH+](Cc2ccccc2O)C[C@@H](C)C1(F)F ZINC000862444085 629376878 /nfs/dbraw/zinc/37/68/78/629376878.db2.gz SXLYJJDHLGOUES-GHMZBOCLSA-N 1 0 255.308 3.115 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@H]2CCN2C2CCCC2)c1O ZINC000862522766 629390433 /nfs/dbraw/zinc/39/04/33/629390433.db2.gz GILBMNKBEFTODC-QGZVFWFLSA-N 1 0 288.435 3.061 20 10 CGCDRO COc1cccc(C[N@@H+]2CC[C@@H](c3ccc(O)cc3)C2)c1O ZINC000862540846 629395584 /nfs/dbraw/zinc/39/55/84/629395584.db2.gz KZOAFZWXARSUKG-CQSZACIVSA-N 1 0 299.370 3.096 20 10 CGCDRO CC[C@H]([NH2+]CCN1CCC[C@@H](C)C1)c1ccc(C)cc1O ZINC000794795004 629577404 /nfs/dbraw/zinc/57/74/04/629577404.db2.gz GERVSJWBUAWCPJ-WBVHZDCISA-N 1 0 290.451 3.473 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](O)CC(C)C)c1ccc(C)cc1O ZINC000794805856 629580042 /nfs/dbraw/zinc/58/00/42/629580042.db2.gz RIUSQELRNZVDMI-ZFWWWQNUSA-N 1 0 265.397 3.148 20 10 CGCDRO CC[C@@H]([NH2+]CCc1cscn1)c1ccc(C)cc1O ZINC000794810876 629580323 /nfs/dbraw/zinc/58/03/23/629580323.db2.gz MXWRLVBAJPRDSJ-CQSZACIVSA-N 1 0 276.405 3.441 20 10 CGCDRO CC[C@@H]([NH2+]CC1(CCO)CCC1)c1ccc(C)cc1O ZINC000794816353 629580949 /nfs/dbraw/zinc/58/09/49/629580949.db2.gz MXQYKVPYAZIAMI-OAHLLOKOSA-N 1 0 277.408 3.294 20 10 CGCDRO CN(Cc1ccccc1O)c1cc[nH+]c2c(O)cccc12 ZINC000795119450 629633846 /nfs/dbraw/zinc/63/38/46/629633846.db2.gz LZTFKYWJSPEMOT-UHFFFAOYSA-N 1 0 280.327 3.282 20 10 CGCDRO CN(C)c1ccc(C[NH+]2Cc3ccccc3C2)cc1 ZINC000119941269 629801082 /nfs/dbraw/zinc/80/10/82/629801082.db2.gz WAQFRGVKNPYLCU-UHFFFAOYSA-N 1 0 252.361 3.268 20 10 CGCDRO CC(C)[C@H]1CC[C@@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000796724750 629821218 /nfs/dbraw/zinc/82/12/18/629821218.db2.gz UHEANJPAORYDDM-HIFRSBDPSA-N 1 0 264.388 3.416 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@H]2CC[C@@H]2C2CC2)cc1F ZINC000797906110 630000545 /nfs/dbraw/zinc/00/05/45/630000545.db2.gz WITOKAFZOBGRHF-HIFRSBDPSA-N 1 0 262.372 3.170 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCc3cccnc32)cc1F ZINC000798927309 630125890 /nfs/dbraw/zinc/12/58/90/630125890.db2.gz RHMUOIPOLBYNAA-MRXNPFEDSA-N 1 0 299.393 3.454 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H](c3ccccn3)C2)c1 ZINC000798962667 630129444 /nfs/dbraw/zinc/12/94/44/630129444.db2.gz OODSUMRSHLXPJR-AWEZNQCLSA-N 1 0 268.360 3.085 20 10 CGCDRO C[C@@H]1CC(CC[NH2+]Cc2ccc(N(C)C)cc2)C[C@@H](C)O1 ZINC000801732689 630354257 /nfs/dbraw/zinc/35/42/57/630354257.db2.gz TXSARECWVGXNSV-HUUCEWRRSA-N 1 0 290.451 3.436 20 10 CGCDRO CC(C)[C@H](CO)C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000806169788 630552964 /nfs/dbraw/zinc/55/29/64/630552964.db2.gz QUHPFHYFAPHRLG-BBRMVZONSA-N 1 0 291.435 3.186 20 10 CGCDRO CCc1cc(C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)[nH]n1 ZINC000808694612 630665783 /nfs/dbraw/zinc/66/57/83/630665783.db2.gz AUKDVEUTQGDCGP-JTQLQIEISA-N 1 0 293.798 3.490 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](C)CCO)c1O ZINC000808698409 630666163 /nfs/dbraw/zinc/66/61/63/630666163.db2.gz OVTCDBVKWBWUTH-KOLCDFICSA-N 1 0 271.788 3.023 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](CCO)C(C)C)c1O ZINC000808699456 630666409 /nfs/dbraw/zinc/66/64/09/630666409.db2.gz HHMHAXRECTVIHL-FZMZJTMJSA-N 1 0 285.815 3.412 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCc2cnccn2)c1O ZINC000808709086 630667550 /nfs/dbraw/zinc/66/75/50/630667550.db2.gz BQTTYJVYHSUIKN-NSHDSACASA-N 1 0 291.782 3.037 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H]2CC[C@@H](O)C2)c1O ZINC000808715975 630669433 /nfs/dbraw/zinc/66/94/33/630669433.db2.gz PCADVBJNDVDTBH-DMDPSCGWSA-N 1 0 283.799 3.166 20 10 CGCDRO Oc1ccc(F)cc1C[NH+]1CCC(c2cccnc2)CC1 ZINC000809738553 630795142 /nfs/dbraw/zinc/79/51/42/630795142.db2.gz YYTROEAXOHHRFU-UHFFFAOYSA-N 1 0 286.350 3.306 20 10 CGCDRO COc1cccc(C[NH2+]Cc2ccc3cnccc3c2)c1O ZINC000809740255 630796145 /nfs/dbraw/zinc/79/61/45/630796145.db2.gz RESPWWMZFCCGGU-UHFFFAOYSA-N 1 0 294.354 3.239 20 10 CGCDRO CCN(CCC[NH+]1CCCC1)Cc1c(O)cccc1Cl ZINC000809750452 630798735 /nfs/dbraw/zinc/79/87/35/630798735.db2.gz WXUUYOAZGUXUTN-UHFFFAOYSA-N 1 0 296.842 3.353 20 10 CGCDRO CCOc1ccc(C[N@H+](Cc2cccnc2)C2CC2)c(O)c1 ZINC000809763840 630802394 /nfs/dbraw/zinc/80/23/94/630802394.db2.gz RQSFVLXKNQTHKY-UHFFFAOYSA-N 1 0 298.386 3.351 20 10 CGCDRO CC[C@@H]([NH2+]CCF)c1ccc(C(F)(F)F)cc1O ZINC000810239346 630858007 /nfs/dbraw/zinc/85/80/07/630858007.db2.gz ZJXCPAXSYUJFLG-SNVBAGLBSA-N 1 0 265.250 3.421 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H](C)CN(C)C(C)C)c(O)c1C ZINC000810253833 630860564 /nfs/dbraw/zinc/86/05/64/630860564.db2.gz DTPOFVGQHIFIMD-HIFRSBDPSA-N 1 0 278.440 3.388 20 10 CGCDRO CC[C@H]([NH2+][C@@H](CO)C1CCCC1)c1ccc(N(C)C)cc1 ZINC000810259565 630861111 /nfs/dbraw/zinc/86/11/11/630861111.db2.gz LXDNAMJNCIFTNX-ROUUACIJSA-N 1 0 290.451 3.344 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)CCC1(F)F ZINC000811512904 631079488 /nfs/dbraw/zinc/07/94/88/631079488.db2.gz UCEZQYYRCJLYEG-LLVKDONJSA-N 1 0 286.341 3.369 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC(F)(F)[C@@H](C)C2)c1 ZINC000811781134 631119364 /nfs/dbraw/zinc/11/93/64/631119364.db2.gz UZKBRLCYARXNCS-LBPRGKRZSA-N 1 0 269.335 3.486 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000876534905 634852838 /nfs/dbraw/zinc/85/28/38/634852838.db2.gz HZBSMTYADMJNCC-NSHDSACASA-N 1 0 273.298 3.475 20 10 CGCDRO Cc1nnsc1C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000813885501 631476201 /nfs/dbraw/zinc/47/62/01/631476201.db2.gz ULSZHZVVMJOZTL-QMMMGPOBSA-N 1 0 297.811 3.365 20 10 CGCDRO CCN(C)c1ccc(C[N@H+](C(C)C)[C@H]2CCOC2)cc1 ZINC000815117743 631720980 /nfs/dbraw/zinc/72/09/80/631720980.db2.gz BUCUSNDJDZCRHQ-KRWDZBQOSA-N 1 0 276.424 3.142 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2cccnc2)c(O)c1 ZINC000815553120 631794140 /nfs/dbraw/zinc/79/41/40/631794140.db2.gz RUVZKFDYOVWYIB-CYBMUJFWSA-N 1 0 256.349 3.255 20 10 CGCDRO COC[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816509580 631997477 /nfs/dbraw/zinc/99/74/77/631997477.db2.gz VXKDXFUJMUDHJP-CYBMUJFWSA-N 1 0 271.360 3.014 20 10 CGCDRO CC(C)(CCO)C[NH2+]Cc1ccc2ccccc2c1O ZINC000816554280 632009796 /nfs/dbraw/zinc/00/97/96/632009796.db2.gz UAUITBJBQFJDRJ-UHFFFAOYSA-N 1 0 273.376 3.044 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](O)C23CCCC3)c1O ZINC000816630552 632026582 /nfs/dbraw/zinc/02/65/82/632026582.db2.gz IREFFIZLVNFBRV-CQSZACIVSA-N 1 0 295.810 3.233 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCOC[C@H]2CC2CCC2)c1 ZINC000816667432 632041464 /nfs/dbraw/zinc/04/14/64/632041464.db2.gz NFISVMUISLKRPL-MRXNPFEDSA-N 1 0 275.392 3.092 20 10 CGCDRO CC[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cc(OC)ccc2O)CCO1 ZINC000817414910 632145134 /nfs/dbraw/zinc/14/51/34/632145134.db2.gz LOJHKDRHYRUQDD-RWMBFGLXSA-N 1 0 279.380 3.009 20 10 CGCDRO OCC[C@H]1CCC[N@H+](Cc2c(O)cccc2Cl)CC1 ZINC000817418731 632146304 /nfs/dbraw/zinc/14/63/04/632146304.db2.gz DDZRKYWEFZUSFQ-LBPRGKRZSA-N 1 0 283.799 3.030 20 10 CGCDRO CC(C)=CCC[C@H](C)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000817939145 632239001 /nfs/dbraw/zinc/23/90/01/632239001.db2.gz ZNJVVKQJJOAPIA-MAUKXSAKSA-N 1 0 289.467 3.477 20 10 CGCDRO C[C@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1cccs1 ZINC000817938320 632239273 /nfs/dbraw/zinc/23/92/73/632239273.db2.gz IZHYFGBKTFLFFD-WFASDCNBSA-N 1 0 289.448 3.165 20 10 CGCDRO C[C@@H]1CCC[C@@H](C)C1[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000817941798 632240486 /nfs/dbraw/zinc/24/04/86/632240486.db2.gz KZTWPWFDPUZNNH-CPUCHLNUSA-N 1 0 289.467 3.167 20 10 CGCDRO CC[C@@H](NC[C@H]1CCCC[NH2+]1)c1cc(Cl)ccc1O ZINC000817949319 632245881 /nfs/dbraw/zinc/24/58/81/632245881.db2.gz INBJMYDBMZNZIH-TZMCWYRMSA-N 1 0 282.815 3.228 20 10 CGCDRO C[C@@H]([NH2+]C[C@H](N)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000817955092 632250704 /nfs/dbraw/zinc/25/07/04/632250704.db2.gz QCWVPTPARIIKHV-KDOFPFPSSA-N 1 0 283.419 3.103 20 10 CGCDRO CCO[C@H]1C[C@H]([NH2+]CCc2ccc(N)cc2)C1(CC)CC ZINC000817957511 632251869 /nfs/dbraw/zinc/25/18/69/632251869.db2.gz MTLSOCRVKRDYAT-IRXDYDNUSA-N 1 0 290.451 3.385 20 10 CGCDRO CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817958400 632253806 /nfs/dbraw/zinc/25/38/06/632253806.db2.gz JHJVPYHJBDFQNO-LDYMZIIASA-N 1 0 291.222 3.333 20 10 CGCDRO CCC[NH2+]CCN[C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000817961845 632257652 /nfs/dbraw/zinc/25/76/52/632257652.db2.gz DNELDOANLHYZMW-VIFPVBQESA-N 1 0 291.222 3.349 20 10 CGCDRO C[C@H](CN)[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000817966405 632261112 /nfs/dbraw/zinc/26/11/12/632261112.db2.gz NAJIMGJXWNCOGN-PBHICJAKSA-N 1 0 284.403 3.003 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2NCCc3ccccc32)c1 ZINC000817973391 632266063 /nfs/dbraw/zinc/26/60/63/632266063.db2.gz FCARSERIPFFPQG-KSSFIOAISA-N 1 0 296.414 3.238 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1cccc(Cl)c1[O-] ZINC000817976906 632267487 /nfs/dbraw/zinc/26/74/87/632267487.db2.gz WTFFVXLZPWZFKC-ZIAGYGMSSA-N 1 0 294.826 3.228 20 10 CGCDRO CC[C@H]([NH3+])CN[C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000817979002 632270208 /nfs/dbraw/zinc/27/02/08/632270208.db2.gz GIRAGFHXEPQERB-HIFRSBDPSA-N 1 0 293.430 3.204 20 10 CGCDRO Cc1cc(N)cc(C[NH2+][C@H](C)c2ccccc2O)c1 ZINC000817981068 632271666 /nfs/dbraw/zinc/27/16/66/632271666.db2.gz PQJMVCVINOJFMN-GFCCVEGCSA-N 1 0 256.349 3.134 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](CN)C2CCCC2)cc1 ZINC000817982471 632272583 /nfs/dbraw/zinc/27/25/83/632272583.db2.gz SSJZSOJYHUWEEV-KDOFPFPSSA-N 1 0 289.467 3.311 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+]C2C[C@H]3C[C@H]3C2)cc1 ZINC000818239140 632301497 /nfs/dbraw/zinc/30/14/97/632301497.db2.gz WHCRZDWHBYARDD-ZJMNABJZSA-N 1 0 256.393 3.154 20 10 CGCDRO COC(C)(C)CC[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000865755097 632879261 /nfs/dbraw/zinc/87/92/61/632879261.db2.gz PHKOIJFBYDCCQG-SREVYHEPSA-N 1 0 276.424 3.171 20 10 CGCDRO Cc1cc(Cl)cc(C[NH+]2CC(CC(F)F)C2)c1O ZINC000822520798 632957812 /nfs/dbraw/zinc/95/78/12/632957812.db2.gz PLTXRZHBKWISSQ-UHFFFAOYSA-N 1 0 275.726 3.441 20 10 CGCDRO C[C@H]1C[C@@H]([NH2+]CC(C)(C)F)c2c1c(F)ccc2O ZINC000866407785 633126252 /nfs/dbraw/zinc/12/62/52/633126252.db2.gz CDUKIGZVPPTIKI-WCBMZHEXSA-N 1 0 255.308 3.417 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)[C@@H](C)O1 ZINC000866443378 633133987 /nfs/dbraw/zinc/13/39/87/633133987.db2.gz LDARBCFHSSYYKT-YQPPGCHHSA-N 1 0 279.355 3.235 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H]1C)c1ccc(C)cc1O ZINC000866446319 633135720 /nfs/dbraw/zinc/13/57/20/633135720.db2.gz FKWZHNBSZBEXFR-RJZRQDKASA-N 1 0 263.381 3.307 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccnc(F)c2)c(O)c1 ZINC000866472666 633147568 /nfs/dbraw/zinc/14/75/68/633147568.db2.gz CPHCWFXOIBJJRN-LLVKDONJSA-N 1 0 260.312 3.086 20 10 CGCDRO Oc1ccccc1C[NH2+][C@H]1CCCc2ccccc2C1 ZINC000823752911 633149182 /nfs/dbraw/zinc/14/91/82/633149182.db2.gz OWQIFZDSOYXXIK-KRWDZBQOSA-N 1 0 267.372 3.429 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+][C@H](C1CCC1)[C@H]1CCOC1)CC2 ZINC000866511070 633167320 /nfs/dbraw/zinc/16/73/20/633167320.db2.gz AMIRUNSWCBMGSK-HDMKZQKVSA-N 1 0 287.403 3.174 20 10 CGCDRO C[C@@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1ccc(F)cc1[O-] ZINC000866518059 633171325 /nfs/dbraw/zinc/17/13/25/633171325.db2.gz SSFYUORXWWOIGR-RFSCMCKOSA-N 1 0 294.414 3.445 20 10 CGCDRO C[C@H]([NH2+][C@H]1C[C@@H](C(=O)OC(C)(C)C)C1)c1ccccc1O ZINC000866524292 633173354 /nfs/dbraw/zinc/17/33/54/633173354.db2.gz BJQNMXZYLQIKRL-RWMBFGLXSA-N 1 0 291.391 3.163 20 10 CGCDRO COc1cccc(C[NH2+][C@@H]2C[C@H](C)CC[C@@H]2C)c1O ZINC000824383514 633239526 /nfs/dbraw/zinc/23/95/26/633239526.db2.gz OOHOKBXXKRAOLY-MBNYWOFBSA-N 1 0 263.381 3.315 20 10 CGCDRO C[C@H](C1CC1)[N@H+](C)Cc1ccc(Br)cc1O ZINC000824567711 633259390 /nfs/dbraw/zinc/25/93/90/633259390.db2.gz UQZOWZJIFOFCDX-SECBINFHSA-N 1 0 284.197 3.385 20 10 CGCDRO Cc1ccc(C[N@H+](C)Cc2ccc(Cl)nc2)c(O)c1 ZINC000876563060 634858506 /nfs/dbraw/zinc/85/85/06/634858506.db2.gz XAGZSYFHBVZGRW-UHFFFAOYSA-N 1 0 276.767 3.381 20 10 CGCDRO CC(C)c1nnc(C[NH2+]Cc2ccc3ccccc3c2O)[nH]1 ZINC000824603694 633263855 /nfs/dbraw/zinc/26/38/55/633263855.db2.gz YAIFUYQWNHDSRL-UHFFFAOYSA-N 1 0 296.374 3.077 20 10 CGCDRO CC(C)=CCC[C@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000824677521 633272627 /nfs/dbraw/zinc/27/26/27/633272627.db2.gz FJGFCYIDGXQFHF-LBPRGKRZSA-N 1 0 277.364 3.345 20 10 CGCDRO C[C@@H](CC(C)(C)O)[NH2+]Cc1ccc2ccccc2c1O ZINC000824701977 633276822 /nfs/dbraw/zinc/27/68/22/633276822.db2.gz FMCDONHKWJMHHO-LBPRGKRZSA-N 1 0 273.376 3.185 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]C[C@@H]2CCO[C@H](C(C)C)C2)c1 ZINC000824800448 633292409 /nfs/dbraw/zinc/29/24/09/633292409.db2.gz XXTIWWXYFDNWIF-PBHICJAKSA-N 1 0 277.408 3.241 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)cc1Cl ZINC000824895609 633302871 /nfs/dbraw/zinc/30/28/71/633302871.db2.gz ZZFNBCYEAIMAKT-QWHCGFSZSA-N 1 0 295.810 3.212 20 10 CGCDRO Cc1cccc(C[NH2+][C@H]2CCO[C@@H](c3ccncc3)C2)c1O ZINC000824953417 633309534 /nfs/dbraw/zinc/30/95/34/633309534.db2.gz JNQZLXCEZDGSSD-DLBZAZTESA-N 1 0 298.386 3.106 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+][C@@H]2C[C@H](C)n3ccnc32)c1O ZINC000825017580 633318390 /nfs/dbraw/zinc/31/83/90/633318390.db2.gz VKQDDHOQCDKESR-GXFFZTMASA-N 1 0 291.782 3.346 20 10 CGCDRO Cc1csc(C[NH2+]Cc2cc(Cl)c(C)cc2O)n1 ZINC000825097492 633327926 /nfs/dbraw/zinc/32/79/26/633327926.db2.gz UXOQZILXCLFXLA-UHFFFAOYSA-N 1 0 282.796 3.409 20 10 CGCDRO CO[C@@H]1C[C@H]([N@H+](C)Cc2cccc(C)c2O)C12CCC2 ZINC000825104337 633329692 /nfs/dbraw/zinc/32/96/92/633329692.db2.gz UHMCHVYQKFAOOO-LSDHHAIUSA-N 1 0 275.392 3.090 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cnc(C3CC3)o2)c1 ZINC000825178941 633334787 /nfs/dbraw/zinc/33/47/87/633334787.db2.gz IYPOJNQFYLCZTR-JTQLQIEISA-N 1 0 288.347 3.117 20 10 CGCDRO COc1cccc(C[N@@H+]2CCC[C@]3(CCSC3)C2)c1O ZINC000825215095 633335981 /nfs/dbraw/zinc/33/59/81/633335981.db2.gz GQUJRISBWWYSCO-INIZCTEOSA-N 1 0 293.432 3.120 20 10 CGCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]C[C@@H](O)C1CCC1 ZINC000825241210 633338831 /nfs/dbraw/zinc/33/88/31/633338831.db2.gz XIWSLJUKXFWEEB-LJQANCHMSA-N 1 0 297.398 3.310 20 10 CGCDRO CC[C@H]([NH2+]Cc1ncccc1OC)c1ccccc1O ZINC000825249375 633339662 /nfs/dbraw/zinc/33/96/62/633339662.db2.gz FGGUKGJBCAHYGT-ZDUSSCGKSA-N 1 0 272.348 3.037 20 10 CGCDRO CSC[C@@H](C)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825298057 633343404 /nfs/dbraw/zinc/34/34/04/633343404.db2.gz UBRBCVHWDXNIBZ-SECBINFHSA-N 1 0 259.802 3.195 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCC(=O)OC(C)(C)C)cc1Cl ZINC000825303067 633343614 /nfs/dbraw/zinc/34/36/14/633343614.db2.gz CUGNJCNUWDSIDJ-UHFFFAOYSA-N 1 0 299.798 3.175 20 10 CGCDRO COC[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000825321943 633345371 /nfs/dbraw/zinc/34/53/71/633345371.db2.gz SACXAAXSEIGEQW-CQSZACIVSA-N 1 0 294.414 3.140 20 10 CGCDRO CO[C@H]1CCC[C@H]1C[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825406665 633353056 /nfs/dbraw/zinc/35/30/56/633353056.db2.gz WQRIOCHAFALSRV-NHYWBVRUSA-N 1 0 283.799 3.259 20 10 CGCDRO Cc1ccncc1CC[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000826926853 633443892 /nfs/dbraw/zinc/44/38/92/633443892.db2.gz OVWULTCGKHNTFN-UHFFFAOYSA-N 1 0 290.794 3.390 20 10 CGCDRO CCc1cccc(C[NH2+][C@H]2C[C@H](O)c3ccccc32)c1O ZINC000827172137 633467930 /nfs/dbraw/zinc/46/79/30/633467930.db2.gz PZHBMRVOCYPPSW-IRXDYDNUSA-N 1 0 283.371 3.223 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)cc1 ZINC000827595823 633502615 /nfs/dbraw/zinc/50/26/15/633502615.db2.gz RDANCLIIZCHAEG-IRXDYDNUSA-N 1 0 288.435 3.001 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H](c2ccccc2)[C@H](C)O)c1O ZINC000827856092 633525634 /nfs/dbraw/zinc/52/56/34/633525634.db2.gz LMWNBNXIBYQDCM-SUMWQHHRSA-N 1 0 285.387 3.166 20 10 CGCDRO Cc1cccc(C[N@@H+]2Cc3cnn(C)c3CC(C)(C)C2)c1O ZINC000828018854 633550032 /nfs/dbraw/zinc/55/00/32/633550032.db2.gz NNEIBZDDIZGFDP-UHFFFAOYSA-N 1 0 299.418 3.019 20 10 CGCDRO C[C@H]([NH2+]C[C@H](O)[C@@H](C)c1ccccc1)c1ccccc1O ZINC000828655361 633640537 /nfs/dbraw/zinc/64/05/37/633640537.db2.gz BIOCAROHMHKQAR-DEYYWGMASA-N 1 0 285.387 3.207 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1)c1cc(F)ccc1O ZINC000872110012 634034405 /nfs/dbraw/zinc/03/44/05/634034405.db2.gz UZNBMXOHISFHIQ-GPMKHBRKSA-N 1 0 279.355 3.140 20 10 CGCDRO C[C@H]([NH2+]CCC1(CO)CCC1)c1cc(Cl)ccc1O ZINC000846209503 636159331 /nfs/dbraw/zinc/15/93/31/636159331.db2.gz DXIWBSWZYVVULA-NSHDSACASA-N 1 0 283.799 3.249 20 10 CGCDRO COc1ccc(OCC[NH2+][C@H]2CCc3cccc(O)c32)cc1 ZINC000834497172 634173745 /nfs/dbraw/zinc/17/37/45/634173745.db2.gz XMPBUDMQEVHSDU-INIZCTEOSA-N 1 0 299.370 3.057 20 10 CGCDRO C[C@@H](COc1ccccc1)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834542981 634178737 /nfs/dbraw/zinc/17/87/37/634178737.db2.gz BIMVSUACTVIFBR-XJKSGUPXSA-N 1 0 283.371 3.437 20 10 CGCDRO C[C@@H](C[NH2+][C@H]1CCc2cccc(O)c21)N1CCC(C)CC1 ZINC000834543319 634178915 /nfs/dbraw/zinc/17/89/15/634178915.db2.gz DHCJEHTXRZCZKK-HOCLYGCPSA-N 1 0 288.435 3.090 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]Cc1ccc3c(c1)CCO3)CC2 ZINC000834554424 634181894 /nfs/dbraw/zinc/18/18/94/634181894.db2.gz AKBICWZJQYESBU-OAHLLOKOSA-N 1 0 281.355 3.104 20 10 CGCDRO CC1(C)[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)[C@@H]2CCCO[C@@H]21 ZINC000834602132 634195959 /nfs/dbraw/zinc/19/59/59/634195959.db2.gz KMIJTJCWZODMSI-IXKJSCDLSA-N 1 0 287.403 3.173 20 10 CGCDRO CO[C@]1(C)C[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)C1(C)C ZINC000834611442 634196716 /nfs/dbraw/zinc/19/67/16/634196716.db2.gz KMFRJBDFSVIRGO-HACGYAERSA-N 1 0 275.392 3.173 20 10 CGCDRO CCCCn1cc(C[NH2+][C@@H]2CCc3cccc(O)c32)c(C)n1 ZINC000834697459 634222107 /nfs/dbraw/zinc/22/21/07/634222107.db2.gz LLBZCBWKXDLLCG-MRXNPFEDSA-N 1 0 299.418 3.474 20 10 CGCDRO CCCOc1ccc(C[NH2+]Cc2c[nH]nc2C)cc1C ZINC000873012634 634230662 /nfs/dbraw/zinc/23/06/62/634230662.db2.gz LJVDKDGGFNTBGJ-UHFFFAOYSA-N 1 0 273.380 3.105 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@@H](C)CC[S@@](C)=O)cc1C ZINC000873073768 634241995 /nfs/dbraw/zinc/24/19/95/634241995.db2.gz BTRUUVKBNGESNC-VBKZILBWSA-N 1 0 297.464 3.031 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2CC[C@H](C)C2)cc1Cn1cccn1 ZINC000873112556 634247424 /nfs/dbraw/zinc/24/74/24/634247424.db2.gz WEXOLRFVZWECAL-YOEHRIQHSA-N 1 0 299.418 3.218 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCn2ccnc21)c1cc(Cl)ccc1O ZINC000834833421 634251782 /nfs/dbraw/zinc/25/17/82/634251782.db2.gz ZPUSWOHBCZGRGD-QWHCGFSZSA-N 1 0 291.782 3.428 20 10 CGCDRO CCC[C@H](C[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F)OC ZINC000834840564 634255224 /nfs/dbraw/zinc/25/52/24/634255224.db2.gz KNRIFFAJSRFHTA-NQBHXWOUSA-N 1 0 281.371 3.484 20 10 CGCDRO CC[C@@H]([NH2+]CC1=CCOCC1)c1cc(Cl)ccc1O ZINC000834859815 634258248 /nfs/dbraw/zinc/25/82/48/634258248.db2.gz JOXIVHDLWUAZKT-CQSZACIVSA-N 1 0 281.783 3.433 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](C)CCCO)c1cc(Cl)ccc1O ZINC000834870818 634260095 /nfs/dbraw/zinc/26/00/95/634260095.db2.gz KPLNBQTZYLJHRZ-FZMZJTMJSA-N 1 0 285.815 3.495 20 10 CGCDRO CCC1(C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)COC1 ZINC000834899178 634275269 /nfs/dbraw/zinc/27/52/69/634275269.db2.gz IYOSUOWDUQRIGL-ZYHUDNBSSA-N 1 0 279.355 3.096 20 10 CGCDRO C[C@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[C@H]2O)c2c1c(F)ccc2O ZINC000834898982 634275483 /nfs/dbraw/zinc/27/54/83/634275483.db2.gz DIEBDEQTNMTUSZ-CDGCEXEKSA-N 1 0 293.382 3.220 20 10 CGCDRO CCc1ncc(C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)o1 ZINC000834900920 634277997 /nfs/dbraw/zinc/27/79/97/634277997.db2.gz UELZGFHUTOZZHQ-BXKDBHETSA-N 1 0 290.338 3.420 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H]2CCC[C@H]2O)c1O ZINC000834902692 634278919 /nfs/dbraw/zinc/27/89/19/634278919.db2.gz KHGLBDHYAPWBGQ-UHIISALHSA-N 1 0 283.799 3.166 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](O)C2CCC2)c1O ZINC000834906932 634283233 /nfs/dbraw/zinc/28/32/33/634283233.db2.gz UPDKCYGYIWYXQP-HZMBPMFUSA-N 1 0 283.799 3.166 20 10 CGCDRO Cc1ccc(C[C@@H](CO)[NH2+][C@@H](C)c2ccccc2O)cc1C ZINC000834913509 634285301 /nfs/dbraw/zinc/28/53/01/634285301.db2.gz HOCJDXOCITZFEE-RDJZCZTQSA-N 1 0 299.414 3.263 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)c1ccc(N(C)C)cc1 ZINC000834915245 634286482 /nfs/dbraw/zinc/28/64/82/634286482.db2.gz PJQHZBLMQLQCAQ-COXVUDFISA-N 1 0 276.424 3.361 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2Cc3ccccc3CN2)c1 ZINC000873293261 634324336 /nfs/dbraw/zinc/32/43/36/634324336.db2.gz JXXDSMZFRBPSAJ-YOEHRIQHSA-N 1 0 296.414 3.066 20 10 CGCDRO CC[N@H+](C/C=C\c1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000835029653 634325937 /nfs/dbraw/zinc/32/59/37/634325937.db2.gz YLPRQWNCHOBMKZ-YEODSOHDSA-N 1 0 288.435 3.267 20 10 CGCDRO C[C@@H]([NH2+]C/C=C\c1ccc(N(C)C)cc1)C1CCOCC1 ZINC000835043181 634330648 /nfs/dbraw/zinc/33/06/48/634330648.db2.gz NRQMZDSSBJBHQD-FOSCPCJNSA-N 1 0 288.435 3.171 20 10 CGCDRO Cc1cnccc1CC[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835041976 634330776 /nfs/dbraw/zinc/33/07/76/634330776.db2.gz QBFSCRHHQIUBDG-PLNGDYQASA-N 1 0 295.430 3.302 20 10 CGCDRO CCC1([NH2+]C/C=C/c2ccc(N(C)C)cc2)CCOCC1 ZINC000835045658 634332622 /nfs/dbraw/zinc/33/26/22/634332622.db2.gz YAQBBMZAVXQWMH-AATRIKPKSA-N 1 0 288.435 3.315 20 10 CGCDRO CC(C)SCC[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835054742 634339195 /nfs/dbraw/zinc/33/91/95/634339195.db2.gz XVFLHJBUIORPGY-WAYWQWQTSA-N 1 0 278.465 3.497 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCCC[C@@H](N2CCCC2)C1 ZINC000876663369 634878059 /nfs/dbraw/zinc/87/80/59/634878059.db2.gz UBXSFTHJYRRKJK-MRXNPFEDSA-N 1 0 288.435 3.151 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+](C)[C@@H](C)Cc1ccc(O)cc1 ZINC000876724342 634887236 /nfs/dbraw/zinc/88/72/36/634887236.db2.gz UMFSIFALKDPOBT-AWEZNQCLSA-N 1 0 285.387 3.469 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]C[C@@H]1Cc2ccccc21 ZINC000877015987 634951531 /nfs/dbraw/zinc/95/15/31/634951531.db2.gz HQYLBEAQQLRAHB-AWEZNQCLSA-N 1 0 253.345 3.130 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CCC[C@@H]2CCO2)cc1F ZINC000877028155 634954520 /nfs/dbraw/zinc/95/45/20/634954520.db2.gz ZGSWLFAFPLSMAW-OAHLLOKOSA-N 1 0 294.414 3.331 20 10 CGCDRO COc1ccc(O)c(C[NH2+]Cc2c(C)cccc2OC)c1 ZINC000877035040 634958026 /nfs/dbraw/zinc/95/80/26/634958026.db2.gz CEUWZKVFOMZPGX-UHFFFAOYSA-N 1 0 287.359 3.008 20 10 CGCDRO CCc1ccc([C@H](COC)[NH2+]Cc2ccc(C)cc2O)o1 ZINC000877043117 634961330 /nfs/dbraw/zinc/96/13/30/634961330.db2.gz BLEBYVBPOLXZRQ-HNNXBMFYSA-N 1 0 289.375 3.333 20 10 CGCDRO CC[C@H](C)[C@@H](C[NH2+]CCCSc1nccs1)OC ZINC000877061287 634967426 /nfs/dbraw/zinc/96/74/26/634967426.db2.gz CXXAEXXMJRDFDB-NWDGAFQWSA-N 1 0 288.482 3.276 20 10 CGCDRO C[C@H]1C[C@@H]([NH2+]CCCSc2nccs2)CS1 ZINC000877062182 634967620 /nfs/dbraw/zinc/96/76/20/634967620.db2.gz ZWOLNAAZOUEPNZ-VHSXEESVSA-N 1 0 274.480 3.109 20 10 CGCDRO COC[C@H]([NH2+]Cc1ccc(C)cc1O)c1ccc(C)o1 ZINC000877080325 634977201 /nfs/dbraw/zinc/97/72/01/634977201.db2.gz IBGUDUZQGIYEMI-AWEZNQCLSA-N 1 0 275.348 3.079 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H]2CCN(C)[C@H]2c2ccccc2)c(O)c1 ZINC000877129123 634994747 /nfs/dbraw/zinc/99/47/47/634994747.db2.gz YPEQULYSVJOYRM-MJGOQNOKSA-N 1 0 296.414 3.236 20 10 CGCDRO Cc1cccc(O)c1C[NH2+][C@H]1CCOc2c(F)cccc21 ZINC000877465034 635047841 /nfs/dbraw/zinc/04/78/41/635047841.db2.gz QXBYLDGPLDDULG-HNNXBMFYSA-N 1 0 287.334 3.453 20 10 CGCDRO CC[C@@H]([NH2+][C@H](C)c1ccn(C)n1)c1ccc(N(C)C)cc1 ZINC000840818420 635058295 /nfs/dbraw/zinc/05/82/95/635058295.db2.gz XUSQHYJLENXJQY-CZUORRHYSA-N 1 0 286.423 3.288 20 10 CGCDRO COCC[C@@H](C)C[NH2+][C@H](C)c1ccc(C)cc1O ZINC000840836480 635061887 /nfs/dbraw/zinc/06/18/87/635061887.db2.gz YQGAYXQDFWORIG-CHWSQXEVSA-N 1 0 251.370 3.024 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccncc2)c(O)c1 ZINC000877524410 635071896 /nfs/dbraw/zinc/07/18/96/635071896.db2.gz XHHMQVZBXJAXHV-MRXNPFEDSA-N 1 0 268.360 3.433 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)C2(OC)CCC2)c1 ZINC000840885361 635074277 /nfs/dbraw/zinc/07/42/77/635074277.db2.gz XOEQQVWVEWVPRR-VXGBXAGGSA-N 1 0 279.380 3.009 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H](C)C1CC1 ZINC000840890534 635076359 /nfs/dbraw/zinc/07/63/59/635076359.db2.gz AICSRVMACAZADT-UONOGXRCSA-N 1 0 260.425 3.380 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCc2ccncc2C)c(Cl)c1 ZINC000840906267 635079152 /nfs/dbraw/zinc/07/91/52/635079152.db2.gz FLGZORBDEOZMNC-UHFFFAOYSA-N 1 0 290.794 3.390 20 10 CGCDRO CCC(CC)(CO)C[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840907182 635079856 /nfs/dbraw/zinc/07/98/56/635079856.db2.gz MUNJPESQFUMRRM-UHFFFAOYSA-N 1 0 285.815 3.242 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000840912995 635081191 /nfs/dbraw/zinc/08/11/91/635081191.db2.gz BNQQZKIUNFCRMO-SFHVURJKSA-N 1 0 298.434 3.095 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@H+](C)C[C@@H]1CCCCO1 ZINC000840911961 635081220 /nfs/dbraw/zinc/08/12/20/635081220.db2.gz WGDOGPGAEXCRCM-KRWDZBQOSA-N 1 0 276.424 3.062 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000840911348 635081650 /nfs/dbraw/zinc/08/16/50/635081650.db2.gz XBQOKVJLPAVYCG-INIZCTEOSA-N 1 0 298.434 3.164 20 10 CGCDRO Cc1cc(O)c(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c(Cl)c1 ZINC000840917643 635082342 /nfs/dbraw/zinc/08/23/42/635082342.db2.gz SZSZMQDTLOKOAZ-OLZOCXBDSA-N 1 0 294.826 3.023 20 10 CGCDRO COC1(C)CC[NH+](Cc2c(O)cc(C)cc2Cl)CC1 ZINC000840937593 635085822 /nfs/dbraw/zinc/08/58/22/635085822.db2.gz SEDGSPBRLFCDQJ-UHFFFAOYSA-N 1 0 283.799 3.355 20 10 CGCDRO CO[C@H]1C[N@H+](Cc2c(O)cc(C)cc2Cl)CC[C@H]1C ZINC000840940125 635087137 /nfs/dbraw/zinc/08/71/37/635087137.db2.gz UWZFFLCAGZHEMN-ABAIWWIYSA-N 1 0 283.799 3.211 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCO[C@@H](C2CC2)C1 ZINC000840939033 635087209 /nfs/dbraw/zinc/08/72/09/635087209.db2.gz JKGAZFOWZVMJFE-SJLPKXTDSA-N 1 0 288.435 3.108 20 10 CGCDRO CCOC1CC(CC[NH2+]Cc2ccc(N(C)C)cc2C)C1 ZINC000840941563 635088095 /nfs/dbraw/zinc/08/80/95/635088095.db2.gz CHPGBVYSIWDPBR-UHFFFAOYSA-N 1 0 290.451 3.356 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000840943040 635088125 /nfs/dbraw/zinc/08/81/25/635088125.db2.gz GPBFDUWYPXYKJD-GOSISDBHSA-N 1 0 288.435 3.064 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000840952043 635091218 /nfs/dbraw/zinc/09/12/18/635091218.db2.gz IDESVDIWLZRXAZ-XOKHGSTOSA-N 1 0 258.409 3.339 20 10 CGCDRO Cc1ncsc1CC[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840951085 635091257 /nfs/dbraw/zinc/09/12/57/635091257.db2.gz SBZJOSLGNFJQIJ-UHFFFAOYSA-N 1 0 289.448 3.158 20 10 CGCDRO CC[C@@](C)(C[NH2+]Cc1c(O)cc(C)cc1Cl)OC ZINC000840951088 635091541 /nfs/dbraw/zinc/09/15/41/635091541.db2.gz SCELTVZOWSIANE-AWEZNQCLSA-N 1 0 271.788 3.259 20 10 CGCDRO Cc1ccc(C[NH2+]C[C@H]2CCO[C@H](C(C)C)C2)c(O)c1 ZINC000877566169 635094386 /nfs/dbraw/zinc/09/43/86/635094386.db2.gz VUFUSJVUYOHXCE-YOEHRIQHSA-N 1 0 277.408 3.241 20 10 CGCDRO Cc1ccc(C[NH2+][C@H]2CCO[C@@H](c3ccncc3)C2)c(O)c1 ZINC000877568888 635096327 /nfs/dbraw/zinc/09/63/27/635096327.db2.gz DALCOLALENTOGK-FUHWJXTLSA-N 1 0 298.386 3.106 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc2ccccc2c1O)[C@@H](O)C(C)C ZINC000840968207 635096360 /nfs/dbraw/zinc/09/63/60/635096360.db2.gz OSDYYRFLQJZDJG-IRXDYDNUSA-N 1 0 287.403 3.431 20 10 CGCDRO Cc1ccc(C[NH2+]C2CCC(OC(F)F)CC2)c(O)c1 ZINC000877572840 635098500 /nfs/dbraw/zinc/09/85/00/635098500.db2.gz JKGHOAHHXBRVOS-UHFFFAOYSA-N 1 0 285.334 3.341 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]C[C@@H]1CCSC1 ZINC000840975304 635098826 /nfs/dbraw/zinc/09/88/26/635098826.db2.gz FSNOKBCSDWTOJU-CABCVRRESA-N 1 0 292.492 3.335 20 10 CGCDRO COc1ccc(CC[C@H](C)[NH2+]CCc2ccc(N)cc2)cc1 ZINC000841033982 635110492 /nfs/dbraw/zinc/11/04/92/635110492.db2.gz DRBBREPKZZDZDP-HNNXBMFYSA-N 1 0 298.430 3.431 20 10 CGCDRO CC(C)Cc1ncc(C[NH2+]CCc2ccc(N)cc2)s1 ZINC000841036969 635110961 /nfs/dbraw/zinc/11/09/61/635110961.db2.gz XIPFXJGAYDHXOL-UHFFFAOYSA-N 1 0 289.448 3.256 20 10 CGCDRO Cc1ccc(C)c(C[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)c1 ZINC000841040224 635112224 /nfs/dbraw/zinc/11/22/24/635112224.db2.gz IYFGTWOFVCIRAZ-LJQANCHMSA-N 1 0 297.446 3.159 20 10 CGCDRO Cc1ccc(C[NH2+]C[C@H]2CCC3(CCCC3)O2)c(O)c1 ZINC000877621365 635117155 /nfs/dbraw/zinc/11/71/55/635117155.db2.gz RBAVARRULMZIFF-OAHLLOKOSA-N 1 0 275.392 3.282 20 10 CGCDRO COc1cccc(C[NH2+]Cc2ccc3c(c2)CCCN3)c1O ZINC000841071135 635117552 /nfs/dbraw/zinc/11/75/52/635117552.db2.gz YRKDUMSYLUBZEH-UHFFFAOYSA-N 1 0 298.386 3.049 20 10 CGCDRO COc1cccc(O)c1C[NH2+]Cc1cccc2c1CCCN2 ZINC000841082758 635118885 /nfs/dbraw/zinc/11/88/85/635118885.db2.gz JMKGDIRTRUTKLY-UHFFFAOYSA-N 1 0 298.386 3.049 20 10 CGCDRO Cc1ccc(C[NH+]2CCC([C@H]3CCCCO3)CC2)c(O)c1 ZINC000877633171 635124175 /nfs/dbraw/zinc/12/41/75/635124175.db2.gz BPBXFTXXSZOSAB-GOSISDBHSA-N 1 0 289.419 3.482 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000877652776 635132751 /nfs/dbraw/zinc/13/27/51/635132751.db2.gz NVIGFWAKMRLUIW-OLZOCXBDSA-N 1 0 263.406 3.171 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2cc(C)ccc2O)c(O)c1 ZINC000877652876 635133001 /nfs/dbraw/zinc/13/30/01/635133001.db2.gz OPTJOEMZPZPRLK-UHFFFAOYSA-N 1 0 257.333 3.004 20 10 CGCDRO COCC1(C2CC2)C[NH+](Cc2ccc3ccccc3c2O)C1 ZINC000877685530 635146737 /nfs/dbraw/zinc/14/67/37/635146737.db2.gz AZNHOJXELWLDHC-UHFFFAOYSA-N 1 0 297.398 3.404 20 10 CGCDRO CCn1nc(CN2Cc3cccc(O)c3C2)c2ccccc21 ZINC000877702780 635154319 /nfs/dbraw/zinc/15/43/19/635154319.db2.gz HKYBZFGYOGCBMZ-UHFFFAOYSA-N 1 0 293.370 3.278 20 10 CGCDRO COC(C)(C)CC[NH2+]Cc1ccc2ccccc2c1O ZINC000877707839 635158390 /nfs/dbraw/zinc/15/83/90/635158390.db2.gz KRPORSATSQUMBS-UHFFFAOYSA-N 1 0 273.376 3.450 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000877737327 635171068 /nfs/dbraw/zinc/17/10/68/635171068.db2.gz FMJCLIUINTUSIS-JQWIXIFHSA-N 1 0 283.824 3.231 20 10 CGCDRO CCN(C)c1ccc(C[NH2+][C@@H](C)c2ccccc2O)cn1 ZINC000877757188 635185553 /nfs/dbraw/zinc/18/55/53/635185553.db2.gz MKSMHDOIQVLFDD-ZDUSSCGKSA-N 1 0 285.391 3.094 20 10 CGCDRO Cc1ccc(C[NH2+][C@H](C)c2ccccc2O)c(O)c1 ZINC000877757247 635185729 /nfs/dbraw/zinc/18/57/29/635185729.db2.gz GZUXYBIVEMBWFF-GFCCVEGCSA-N 1 0 257.333 3.257 20 10 CGCDRO COC[C@@H](CC(C)C)[NH2+][C@@H](C)c1ccccc1O ZINC000877757138 635186206 /nfs/dbraw/zinc/18/62/06/635186206.db2.gz ISDAYIFWQXMYST-QWHCGFSZSA-N 1 0 251.370 3.104 20 10 CGCDRO CO[C@H]1C[C@H]2C[C@H]([NH2+][C@@H](C)c3ccccc3O)C[C@H]2C1 ZINC000877758305 635186834 /nfs/dbraw/zinc/18/68/34/635186834.db2.gz SEOLSUIVZGIJSN-VQJWOFKYSA-N 1 0 275.392 3.246 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H](C)c2ccccc2O)c(O)c1 ZINC000877758052 635187756 /nfs/dbraw/zinc/18/77/56/635187756.db2.gz GZUXYBIVEMBWFF-LBPRGKRZSA-N 1 0 257.333 3.257 20 10 CGCDRO CC1([NH+]2CCCCC2)CCN(Cc2ccccc2O)CC1 ZINC000877795212 635204609 /nfs/dbraw/zinc/20/46/09/635204609.db2.gz BZYISOSOWNNRNK-UHFFFAOYSA-N 1 0 288.435 3.233 20 10 CGCDRO CC(C)(O)[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000877796304 635207110 /nfs/dbraw/zinc/20/71/10/635207110.db2.gz CHQJDUPSMGQVPY-GFCCVEGCSA-N 1 0 283.799 3.029 20 10 CGCDRO C[C@@H]([NH2+]C[C@H](O)c1ccccc1)c1ccc(Cl)cc1O ZINC000841745049 635222712 /nfs/dbraw/zinc/22/27/12/635222712.db2.gz UBJCUVXMFLWCRW-BZNIZROVSA-N 1 0 291.778 3.430 20 10 CGCDRO C[C@@H]([NH2+]CCOC1CCC1)c1ccc(Cl)cc1O ZINC000841749685 635225144 /nfs/dbraw/zinc/22/51/44/635225144.db2.gz GXCBRSPZCUDJQM-SNVBAGLBSA-N 1 0 269.772 3.265 20 10 CGCDRO C[C@H]([NH2+][C@@H](CO)C1CCCC1)c1ccc(Cl)cc1O ZINC000841758107 635231154 /nfs/dbraw/zinc/23/11/54/635231154.db2.gz SDDUOQQYPXKTGT-HZMBPMFUSA-N 1 0 283.799 3.247 20 10 CGCDRO CO[C@H](C)[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841759023 635233392 /nfs/dbraw/zinc/23/33/92/635233392.db2.gz WZOUTKXPLUZUIV-OPRDCNLKSA-N 1 0 257.761 3.120 20 10 CGCDRO CCc1cc(C[NH2+][C@@H](C)c2ccc(Cl)cc2O)[nH]n1 ZINC000841765305 635234561 /nfs/dbraw/zinc/23/45/61/635234561.db2.gz XQTFELCBLYUBTN-VIFPVBQESA-N 1 0 279.771 3.182 20 10 CGCDRO Cc1cccc(CN(C)C(C)(C)C[NH+]2CCCC2)c1O ZINC000841893081 635248617 /nfs/dbraw/zinc/24/86/17/635248617.db2.gz DRXXBTKQOZGXPS-UHFFFAOYSA-N 1 0 276.424 3.007 20 10 CGCDRO OC[C@@H](CC1CCCCC1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000841894562 635250462 /nfs/dbraw/zinc/25/04/62/635250462.db2.gz YTSVJINGFYWOSN-QGZVFWFLSA-N 1 0 289.419 3.042 20 10 CGCDRO CCC[N@H+](CCOCC1CCC1)Cc1ccccc1O ZINC000842153847 635297987 /nfs/dbraw/zinc/29/79/87/635297987.db2.gz WCNZIXQJRDETHB-UHFFFAOYSA-N 1 0 277.408 3.421 20 10 CGCDRO CCCC[N@@H+](Cc1ccccc1O)C[C@H](CC)OC ZINC000842160139 635300748 /nfs/dbraw/zinc/30/07/48/635300748.db2.gz VBZVDVLCVICJFA-HNNXBMFYSA-N 1 0 265.397 3.419 20 10 CGCDRO COC1CCC([NH2+]Cc2c(O)cc(C)cc2Cl)CC1 ZINC000842219064 635312849 /nfs/dbraw/zinc/31/28/49/635312849.db2.gz JXJBDHCNSJCSKT-UHFFFAOYSA-N 1 0 283.799 3.401 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@H]2[C@@H]2CCCOC2)c1 ZINC000842613187 635419377 /nfs/dbraw/zinc/41/93/77/635419377.db2.gz WOLCDBQTFTYMRJ-WBVHZDCISA-N 1 0 289.419 3.400 20 10 CGCDRO CCOc1ccc(C[NH2+][C@@H]2CC[C@H]3C[C@H]3C2)c(O)c1 ZINC000842776859 635469751 /nfs/dbraw/zinc/46/97/51/635469751.db2.gz RJOBPOCTPXINAU-FPMFFAJLSA-N 1 0 261.365 3.069 20 10 CGCDRO CCOc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)c(O)c1 ZINC000842776862 635469942 /nfs/dbraw/zinc/46/99/42/635469942.db2.gz RJOBPOCTPXINAU-MRVWCRGKSA-N 1 0 261.365 3.069 20 10 CGCDRO CCOCc1cc(C[NH2+][C@H]2CCS[C@H]2C)ccc1OC ZINC000842779426 635470491 /nfs/dbraw/zinc/47/04/91/635470491.db2.gz QMDTWGOKQKVEAR-WFASDCNBSA-N 1 0 295.448 3.215 20 10 CGCDRO COc1cccc(CN2CCCc3cc(C[NH3+])ccc32)c1 ZINC000843057926 635554026 /nfs/dbraw/zinc/55/40/26/635554026.db2.gz ZDUQPOJPGODGEC-UHFFFAOYSA-N 1 0 282.387 3.107 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1)c1ccccc1O ZINC000879650201 635826405 /nfs/dbraw/zinc/82/64/05/635826405.db2.gz PBTXYYXPVZTUCB-DVZHBHJUSA-N 1 0 261.365 3.000 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@H+]2CCC[C@@H](OC(C)C)C2)c1 ZINC000844718235 635956929 /nfs/dbraw/zinc/95/69/29/635956929.db2.gz DMNSFQFWJCRZBZ-MRXNPFEDSA-N 1 0 277.408 3.398 20 10 CGCDRO CC[C@@H]1C[N@H+](Cc2cc(C)c(C)cc2O)[C@@H](C)CO1 ZINC000844729330 635957364 /nfs/dbraw/zinc/95/73/64/635957364.db2.gz HSXRYMFUESTGKS-DZGCQCFKSA-N 1 0 263.381 3.008 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc(N(C)CC)cc1)[C@H]1CCCOC1 ZINC000880470196 636006762 /nfs/dbraw/zinc/00/67/62/636006762.db2.gz OCIRMTZJIPDPJI-FUHWJXTLSA-N 1 0 290.451 3.438 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H](C)[C@](C)(O)c2ccccc2)cc1C ZINC000846039286 636135356 /nfs/dbraw/zinc/13/53/56/636135356.db2.gz QNQIIZAREBHMPB-BEFAXECRSA-N 1 0 299.414 3.395 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H](C)[C@@](C)(O)c2ccccc2)c1 ZINC000846040838 636136656 /nfs/dbraw/zinc/13/66/56/636136656.db2.gz WPUXQZGIRWWURY-RDTXWAMCSA-N 1 0 285.387 3.086 20 10 CGCDRO CCC(CC)(CCO)C[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846148372 636149663 /nfs/dbraw/zinc/14/96/63/636149663.db2.gz QVWUSNCSKKVKPB-ZDUSSCGKSA-N 1 0 295.423 3.240 20 10 CGCDRO CCc1nc(C[NH2+][C@@H](C)c2cccc(OC)c2O)cs1 ZINC000846146471 636149799 /nfs/dbraw/zinc/14/97/99/636149799.db2.gz QUFOFOZMXMZWHT-JTQLQIEISA-N 1 0 292.404 3.271 20 10 CGCDRO C[C@@H](COCC1CC1)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000846206113 636158579 /nfs/dbraw/zinc/15/85/79/636158579.db2.gz VNVSDCDNSRRRQV-KBPBESRZSA-N 1 0 276.424 3.218 20 10 CGCDRO Cc1cc(C[N@@H+]2CC[C@H](c3ccncc3)C2)ccc1N(C)C ZINC000846911519 636281274 /nfs/dbraw/zinc/28/12/74/636281274.db2.gz RXARJESNUKWWLE-SFHVURJKSA-N 1 0 295.430 3.446 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC2(CO)CCCCC2)c1 ZINC000130808081 636515769 /nfs/dbraw/zinc/51/57/69/636515769.db2.gz YPESCHGAQIIWIS-CQSZACIVSA-N 1 0 277.408 3.294 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CC2(CO)CCCCC2)c1 ZINC000130808287 636517675 /nfs/dbraw/zinc/51/76/75/636517675.db2.gz YPESCHGAQIIWIS-AWEZNQCLSA-N 1 0 277.408 3.294 20 10 CGCDRO [O-]c1c(F)cc(F)cc1CNC1(C(F)F)CCCC1 ZINC000883121656 636546911 /nfs/dbraw/zinc/54/69/11/636546911.db2.gz OLQWJWHLGADDKC-UHFFFAOYSA-N 1 0 277.261 3.338 20 10 CGCDRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)CS1 ZINC000848524522 636587899 /nfs/dbraw/zinc/58/78/99/636587899.db2.gz FLMRALHMJNKZIA-YPMHNXCESA-N 1 0 282.428 3.265 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CC[C@@H](C)SC1 ZINC000848530467 636591553 /nfs/dbraw/zinc/59/15/53/636591553.db2.gz HHTUZIBWQJUGMN-UKRRQHHQSA-N 1 0 278.465 3.435 20 10 CGCDRO C[C@H]([NH2+][C@@H](C1CC1)[C@H]1CCCCO1)c1ccccc1O ZINC000848557002 636604248 /nfs/dbraw/zinc/60/42/48/636604248.db2.gz BJFKHOWXDGVVSG-VUCTXSBTSA-N 1 0 275.392 3.391 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](C)C(=O)OC(C)(C)C)c(O)c1 ZINC000848563904 636607276 /nfs/dbraw/zinc/60/72/76/636607276.db2.gz YWVRACCBPCAVFU-OLZOCXBDSA-N 1 0 293.407 3.329 20 10 CGCDRO COC[C@H](CC(C)(C)C)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000848565716 636608650 /nfs/dbraw/zinc/60/86/50/636608650.db2.gz ZVKKQWVXYWSCMH-KBPBESRZSA-N 1 0 277.408 3.420 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)c1cc(OC)ccc1O)[C@H]1CCCCO1 ZINC000848567057 636609506 /nfs/dbraw/zinc/60/95/06/636609506.db2.gz AUEYPNHTKCGEIO-ISTRZQFTSA-N 1 0 293.407 3.399 20 10 CGCDRO CCc1cccc(C[NH+]2C[C@@H](C)S[C@H](C)C2)c1O ZINC000848883310 636671718 /nfs/dbraw/zinc/67/17/18/636671718.db2.gz LYOVWYXSIZUAKF-VXGBXAGGSA-N 1 0 265.422 3.280 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCC[C@H](c3ccnn3C)C2)c1O ZINC000848883323 636672110 /nfs/dbraw/zinc/67/21/10/636672110.db2.gz MGXIWXDOVRIITB-HNNXBMFYSA-N 1 0 299.418 3.068 20 10 CGCDRO CCc1cccc(C[NH2+][C@H](C)Cc2ccncc2)c1O ZINC000848897784 636680888 /nfs/dbraw/zinc/68/08/88/636680888.db2.gz LUKDQBDQTFXSGB-CYBMUJFWSA-N 1 0 270.376 3.070 20 10 CGCDRO CCc1cccc(C[NH2+][C@H]2CCOC3(CCC3)C2)c1O ZINC000848899214 636680968 /nfs/dbraw/zinc/68/09/68/636680968.db2.gz LBBUZVHTNYBKQV-HNNXBMFYSA-N 1 0 275.392 3.146 20 10 CGCDRO CCc1cccc(C[NH2+]CCc2nc(C)c(C)s2)c1O ZINC000848899248 636680988 /nfs/dbraw/zinc/68/09/88/636680988.db2.gz LVJGJTDBYSQSAT-UHFFFAOYSA-N 1 0 290.432 3.360 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H](C)c2ccncc2OC)c1O ZINC000848905226 636683624 /nfs/dbraw/zinc/68/36/24/636683624.db2.gz INPCMKHSAKPTBP-LBPRGKRZSA-N 1 0 286.375 3.209 20 10 CGCDRO CCc1cccc(C[N@H+](C)Cc2ccc(O)cc2)c1O ZINC000848910865 636686311 /nfs/dbraw/zinc/68/63/11/636686311.db2.gz ALAIQQBNZRYPMG-UHFFFAOYSA-N 1 0 271.360 3.292 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)c1cccc(OC)c1O)[C@H]1CCCOC1 ZINC000883353302 636694798 /nfs/dbraw/zinc/69/47/98/636694798.db2.gz RSLMTZAUWVGEMM-YDHLFZDLSA-N 1 0 293.407 3.257 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C2CCC3(COC3)CC2)c(O)c1 ZINC000883381336 636723607 /nfs/dbraw/zinc/72/36/07/636723607.db2.gz KVQRUQWPVOVLJY-CYBMUJFWSA-N 1 0 275.392 3.310 20 10 CGCDRO COc1ccc(O)c(C[N@H+](C)[C@@H](C)C(C)(C)C)c1 ZINC000132564776 636820875 /nfs/dbraw/zinc/82/08/75/636820875.db2.gz XXBMDJHYWUPQNB-NSHDSACASA-N 1 0 251.370 3.267 20 10 CGCDRO CCC[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850005396 636926200 /nfs/dbraw/zinc/92/62/00/636926200.db2.gz ZRHHCGQAXBTWDV-UHFFFAOYSA-N 1 0 251.370 3.198 20 10 CGCDRO COc1cc(C[NH2+]CCCF)c(O)c(C(C)(C)C)c1 ZINC000850195665 636981037 /nfs/dbraw/zinc/98/10/37/636981037.db2.gz XHVVTIUSQHXUSG-UHFFFAOYSA-N 1 0 269.360 3.148 20 10 CGCDRO Oc1ccccc1C[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000134235893 637008721 /nfs/dbraw/zinc/00/87/21/637008721.db2.gz QETUVACCBBNQFK-UHFFFAOYSA-N 1 0 265.715 3.475 20 10 CGCDRO CC[C@@H](C[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O)OC ZINC000850308015 637012852 /nfs/dbraw/zinc/01/28/52/637012852.db2.gz VENZIOXYAMACRQ-ZDUSSCGKSA-N 1 0 295.423 3.213 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H](C)c2ccccn2)cc1C ZINC000850342257 637020428 /nfs/dbraw/zinc/02/04/28/637020428.db2.gz JERYJAVZAHCFNG-CQSZACIVSA-N 1 0 270.376 3.297 20 10 CGCDRO COCC1([NH2+]C/C=C\c2ccc(N(C)C)cc2)CCCC1 ZINC000850345002 637021903 /nfs/dbraw/zinc/02/19/03/637021903.db2.gz FRWWBLSQXZFTPV-SREVYHEPSA-N 1 0 288.435 3.315 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+][C@H]3CC[C@H](C)C3)C2)cc1 ZINC000850347776 637022841 /nfs/dbraw/zinc/02/28/41/637022841.db2.gz XEPKWUGSZJDUCG-KKUMJFAQSA-N 1 0 274.408 3.052 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]CC[C@H](C)CC)c1 ZINC000850355085 637025355 /nfs/dbraw/zinc/02/53/55/637025355.db2.gz DFASIHGYFOLRRJ-GFCCVEGCSA-N 1 0 251.370 3.317 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+][C@@H]1C[C@H](O)c2ccccc21 ZINC000850369821 637032498 /nfs/dbraw/zinc/03/24/98/637032498.db2.gz BLLNEYLRGQLRJO-ZBFHGGJFSA-N 1 0 289.762 3.314 20 10 CGCDRO Oc1ccccc1C[NH2+]Cc1coc2ccccc12 ZINC000134650726 637034049 /nfs/dbraw/zinc/03/40/49/637034049.db2.gz JKIUBCBHPPBRNA-UHFFFAOYSA-N 1 0 253.301 3.428 20 10 CGCDRO CCOc1cccc(C[NH2+][C@H]2C[C@@H](O)c3ccccc32)c1O ZINC000850371414 637035301 /nfs/dbraw/zinc/03/53/01/637035301.db2.gz JFXXHRRDLKXIKU-JKSUJKDBSA-N 1 0 299.370 3.059 20 10 CGCDRO CCOCc1cc(C[NH2+]CCc2ccoc2)ccc1OC ZINC000850376955 637038455 /nfs/dbraw/zinc/03/84/55/637038455.db2.gz PQFMUGGQHRETJB-UHFFFAOYSA-N 1 0 289.375 3.157 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)cc1 ZINC000850392975 637045294 /nfs/dbraw/zinc/04/52/94/637045294.db2.gz PAFSDCMMQWSNNV-JGGCQBIMSA-N 1 0 256.393 3.154 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[C@H]3C(C)C)C2)cc1 ZINC000850488373 637088173 /nfs/dbraw/zinc/08/81/73/637088173.db2.gz MNNKVQMNMKSPQA-JCGIZDLHSA-N 1 0 288.435 3.298 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)C(C)(C)C)C2)cc1 ZINC000850489275 637088748 /nfs/dbraw/zinc/08/87/48/637088748.db2.gz SMRBYFXXBLGJJG-KBPBESRZSA-N 1 0 276.424 3.298 20 10 CGCDRO CC[C@@H](COCC1CC1)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000850495233 637091035 /nfs/dbraw/zinc/09/10/35/637091035.db2.gz YNZBNLIEXZLQAI-LSDHHAIUSA-N 1 0 275.392 3.174 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC[C@H]([S@](C)=O)C2)c1 ZINC000850503287 637092678 /nfs/dbraw/zinc/09/26/78/637092678.db2.gz VYMSLOXTQFWBDR-PSUSHLJKSA-N 1 0 295.448 3.041 20 10 CGCDRO OC/C=C\C[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000850506892 637093734 /nfs/dbraw/zinc/09/37/34/637093734.db2.gz CLSQYTSRZQSBPE-HPFMTEOYSA-N 1 0 297.398 3.204 20 10 CGCDRO C[C@@H]([NH2+]C/C=C/CO)c1ccc(N2CCCCCC2)cc1 ZINC000850509790 637096519 /nfs/dbraw/zinc/09/65/19/637096519.db2.gz SQQDAOMKMANPNE-IEXSPKMKSA-N 1 0 288.435 3.266 20 10 CGCDRO CCO[C@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)C1 ZINC000850513795 637098380 /nfs/dbraw/zinc/09/83/80/637098380.db2.gz JOVUUWUOSNYXMJ-PRULPYPASA-N 1 0 279.355 3.237 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1C(C)(C)C1(F)F)c1cc(F)ccc1O ZINC000850551950 637117368 /nfs/dbraw/zinc/11/73/68/637117368.db2.gz KSWRASZDTZPMAW-QPUJVOFHSA-N 1 0 273.298 3.473 20 10 CGCDRO Cc1cncc(CC[NH2+][C@@H](C)c2ccc(C)c(C)c2O)n1 ZINC000850552082 637117378 /nfs/dbraw/zinc/11/73/78/637117378.db2.gz WQHRIGNDYCCYRX-AWEZNQCLSA-N 1 0 285.391 3.001 20 10 CGCDRO CCCN1CC[C@@H]([NH2+][C@@H](C)c2cc(Cl)ccc2O)C1 ZINC000850554045 637118500 /nfs/dbraw/zinc/11/85/00/637118500.db2.gz HHJVDXAJCGJOII-WCQYABFASA-N 1 0 282.815 3.181 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CCOC2(C)C)c(O)c1 ZINC000850570191 637127889 /nfs/dbraw/zinc/12/78/89/637127889.db2.gz FMOHOCZCVOSAOG-ZIAGYGMSSA-N 1 0 277.408 3.475 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCOC2(C)C)c(O)c1C ZINC000850571754 637128784 /nfs/dbraw/zinc/12/87/84/637128784.db2.gz VULYOZUORGPTRK-KGLIPLIRSA-N 1 0 277.408 3.475 20 10 CGCDRO C[N@H+](CCOc1ccc(F)cc1)Cc1ccccc1O ZINC000109770270 637267528 /nfs/dbraw/zinc/26/75/28/637267528.db2.gz RXCKSKWWCWHITE-UHFFFAOYSA-N 1 0 275.323 3.042 20 10 CGCDRO CO[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N(C)C)cc2C)CC1 ZINC000885989257 637344101 /nfs/dbraw/zinc/34/41/01/637344101.db2.gz ZOMKLPGUHCMLOY-FUHWJXTLSA-N 1 0 290.451 3.498 20 10 CGCDRO Cc1cc(C[N@H+]2CCCC[C@H]2[C@@H](C)CO)ccc1N(C)C ZINC000852428750 637652314 /nfs/dbraw/zinc/65/23/14/637652314.db2.gz WCUBNTJTTRLQOS-YJBOKZPZSA-N 1 0 290.451 3.044 20 10 CGCDRO C[C@@H](CC(F)(F)F)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000223043287 637845902 /nfs/dbraw/zinc/84/59/02/637845902.db2.gz YVNJJIAKWGNWEV-VIFPVBQESA-N 1 0 259.271 3.052 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCOC2CCCC2)c1 ZINC000111634271 637932408 /nfs/dbraw/zinc/93/24/08/637932408.db2.gz ZFWATEVUQTXBNI-LBPRGKRZSA-N 1 0 279.380 3.011 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(N)c2)c1 ZINC000854217029 638025046 /nfs/dbraw/zinc/02/50/46/638025046.db2.gz HMOQNPUSIPPLAL-GFCCVEGCSA-N 1 0 256.349 3.134 20 10 CGCDRO CC[C@@H]([NH2+]CCC(C)(C)[NH3+])c1cccc(Cl)c1[O-] ZINC000925738637 638591387 /nfs/dbraw/zinc/59/13/87/638591387.db2.gz RQFNAYOCHIUPGU-GFCCVEGCSA-N 1 0 270.804 3.214 20 10 CGCDRO CN(C)c1cc(F)c(C[NH2+]CCc2cccs2)cc1F ZINC000858087047 638623789 /nfs/dbraw/zinc/62/37/89/638623789.db2.gz IIKRAKQKRWCTMO-UHFFFAOYSA-N 1 0 296.386 3.425 20 10 CGCDRO CC(C)CC[C@@H](CO)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000858484837 638736724 /nfs/dbraw/zinc/73/67/24/638736724.db2.gz CPJKWDXRXHISHQ-AAEUAGOBSA-N 1 0 285.815 3.493 20 10 CGCDRO CC(C)CC[C@H](CO)[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000858485504 638738103 /nfs/dbraw/zinc/73/81/03/638738103.db2.gz NUEUHGDKAAENRP-OUCADQQQSA-N 1 0 295.398 3.466 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H](C)c1ncco1 ZINC000926594428 638789207 /nfs/dbraw/zinc/78/92/07/638789207.db2.gz BPTARJZFFRYIPC-UONOGXRCSA-N 1 0 287.407 3.331 20 10 CGCDRO CCC[C@H](O)CC[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000927018862 638832205 /nfs/dbraw/zinc/83/22/05/638832205.db2.gz PLPLXASIGLLIHD-MDZLAQPJSA-N 1 0 281.371 3.220 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](COC)C(C)C)c1ccccc1O ZINC000927096973 638841491 /nfs/dbraw/zinc/84/14/91/638841491.db2.gz RARGAWZIBAZXQP-ZFWWWQNUSA-N 1 0 265.397 3.352 20 10 CGCDRO COC[C@@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])C(C)C ZINC000927097310 638841504 /nfs/dbraw/zinc/84/15/04/638841504.db2.gz UFBMXAYOTWFFKS-WDEREUQCSA-N 1 0 287.350 3.240 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H](COC)C(C)C)c1ccccc1O ZINC000927096972 638841581 /nfs/dbraw/zinc/84/15/81/638841581.db2.gz RARGAWZIBAZXQP-UKRRQHHQSA-N 1 0 265.397 3.352 20 10 CGCDRO CO[C@H]1C[C@@H](C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)C1 ZINC000858592778 638999160 /nfs/dbraw/zinc/99/91/60/638999160.db2.gz LBWUNOIOJKGIKH-MEWQQHAOSA-N 1 0 279.355 3.094 20 10 CGCDRO Cc1cc(C)nc(C[NH2+][C@H](C)c2ccccc2O)c1 ZINC000931555588 639170215 /nfs/dbraw/zinc/17/02/15/639170215.db2.gz YVTYSUWJZFPGBQ-CYBMUJFWSA-N 1 0 256.349 3.255 20 10 CGCDRO C[C@@H]1CC(F)(F)CC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000859837231 639235072 /nfs/dbraw/zinc/23/50/72/639235072.db2.gz FJYQYEOZQVLTDQ-GFCCVEGCSA-N 1 0 268.351 3.372 20 10 CGCDRO Cc1cc(C[NH2+][C@@H](C)c2ccns2)ccc1N(C)C ZINC000860060735 639276162 /nfs/dbraw/zinc/27/61/62/639276162.db2.gz ADKGYZSPVLKFDL-LBPRGKRZSA-N 1 0 275.421 3.368 20 10 CGCDRO C[C@H]1CCCC[C@@H]1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000042880572 639922367 /nfs/dbraw/zinc/92/23/67/639922367.db2.gz FRXBSBPFIKVNQF-NWDGAFQWSA-N 1 0 277.364 3.037 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCN(C)C(C)C)cc1 ZINC000155746287 639946863 /nfs/dbraw/zinc/94/68/63/639946863.db2.gz HZBDFCBZTNAZNI-HNNXBMFYSA-N 1 0 277.456 3.134 20 10 CGCDRO COc1cccc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)c1O ZINC000156100955 639964418 /nfs/dbraw/zinc/96/44/18/639964418.db2.gz YMMGENZKJCLMMT-JSGCOSHPSA-N 1 0 261.365 3.165 20 10 CGCDRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]Cc1cc(F)ccc1O ZINC000187679436 640093772 /nfs/dbraw/zinc/09/37/72/640093772.db2.gz FTVPTXWRGVRLQL-ZBFHGGJFSA-N 1 0 281.371 3.215 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCC(C)(C)O2)c(O)c1 ZINC000187867983 640101560 /nfs/dbraw/zinc/10/15/60/640101560.db2.gz FJGVFJFSHNUNKX-CHWSQXEVSA-N 1 0 263.381 3.309 20 10 CGCDRO CC(C)CC[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000078730507 640336494 /nfs/dbraw/zinc/33/64/94/640336494.db2.gz ZEXSPJWKXRARCL-UHFFFAOYSA-N 1 0 276.424 3.001 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc3c(c2)OCCO3)c(O)c1 ZINC000192911111 640418040 /nfs/dbraw/zinc/41/80/40/640418040.db2.gz WSOHCJVTIGSLCF-ZDUSSCGKSA-N 1 0 299.370 3.323 20 10 CGCDRO C[N@H+](CCCc1ccc2c(c1)CCO2)Cc1ccccc1O ZINC000193240262 640443494 /nfs/dbraw/zinc/44/34/94/640443494.db2.gz KCKGRBJICLFPAW-UHFFFAOYSA-N 1 0 297.398 3.392 20 10 CGCDRO c1cc(N2CCCC2)ccc1OCC[NH+]1CCCCC1 ZINC000194403024 640530675 /nfs/dbraw/zinc/53/06/75/640530675.db2.gz UHAYITMYDGQOBP-UHFFFAOYSA-N 1 0 274.408 3.152 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H]1C ZINC000245713941 640633479 /nfs/dbraw/zinc/63/34/79/640633479.db2.gz GMOOHUUEBIRNQQ-HZPDHXFCSA-N 1 0 288.435 3.001 20 10 CGCDRO CC(C)CO[C@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000091964324 640727922 /nfs/dbraw/zinc/72/79/22/640727922.db2.gz GRVLPDXDZXQVSR-AWEZNQCLSA-N 1 0 283.799 3.293 20 10 CGCDRO C[C@H](O)C[N@H+](Cc1ccc(N(C)C)cc1)C1CCCCC1 ZINC000092974199 640752783 /nfs/dbraw/zinc/75/27/83/640752783.db2.gz ODSFNUADTYBKKY-HNNXBMFYSA-N 1 0 290.451 3.268 20 10 CGCDRO CCC[N@@H+](Cc1cc(C)ccc1O)C[C@H]1CCCCO1 ZINC000093132475 640758159 /nfs/dbraw/zinc/75/81/59/640758159.db2.gz QFVRWNXVXDJPBU-MRXNPFEDSA-N 1 0 277.408 3.482 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2C[C@H](C)OC[C@H]2C)cc1C(C)C ZINC000249049608 640790632 /nfs/dbraw/zinc/79/06/32/640790632.db2.gz IOTYHAKAFMYRJL-KGLIPLIRSA-N 1 0 277.408 3.433 20 10 CGCDRO C[C@H]([NH2+][C@H]1CC[C@H](O)CC1)c1ccc2ccccc2c1O ZINC000252804012 640863962 /nfs/dbraw/zinc/86/39/62/640863962.db2.gz CNUZUQROQABSSW-QEJZJMRPSA-N 1 0 285.387 3.500 20 10 CGCDRO C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1c(O)cccc1Cl ZINC000113335956 640976786 /nfs/dbraw/zinc/97/67/86/640976786.db2.gz SHCTWOXGHDJALA-LLVKDONJSA-N 1 0 291.778 3.472 20 10 CGCDRO Oc1cccc(C[NH2+]Cc2c(O)cccc2Cl)c1 ZINC000113332461 640976817 /nfs/dbraw/zinc/97/68/17/640976817.db2.gz DTOVPWYAZWHHIC-UHFFFAOYSA-N 1 0 263.724 3.041 20 10 CGCDRO CCCC[C@@H](O)C[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001252090084 805988516 /nfs/dbraw/zinc/98/85/16/805988516.db2.gz GZIGQIRYNSYWIQ-GOSISDBHSA-N 1 0 290.451 3.270 20 10 CGCDRO COc1cccc(C[NH2+][C@@H]2CCC[C@H](C)[C@H]2C)c1O ZINC000037021685 798855009 /nfs/dbraw/zinc/85/50/09/798855009.db2.gz NWIMHWLCENVZKM-OUCADQQQSA-N 1 0 263.381 3.315 20 10 CGCDRO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(OC)ccc1O ZINC000037031272 798856948 /nfs/dbraw/zinc/85/69/48/798856948.db2.gz RVYLEFLPWLZEFS-DOMZBBRYSA-N 1 0 263.381 3.459 20 10 CGCDRO COc1cccc(C[NH2+]Cc2ccc(OC)c(C)c2)c1 ZINC000037489241 798867435 /nfs/dbraw/zinc/86/74/35/798867435.db2.gz KKNBJPBGPZZJKF-UHFFFAOYSA-N 1 0 271.360 3.302 20 10 CGCDRO CCOc1cccc(C[N@H+](C(C)C)C2CCOCC2)c1O ZINC000093604834 798966626 /nfs/dbraw/zinc/96/66/26/798966626.db2.gz VTGPDTRTVDZRLO-UHFFFAOYSA-N 1 0 293.407 3.180 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H](O)C1CCC1)c1ccc2ccccc2c1O ZINC000316723682 799242231 /nfs/dbraw/zinc/24/22/31/799242231.db2.gz IHIIRDCSGQPLMW-SJKOYZFVSA-N 1 0 285.387 3.357 20 10 CGCDRO CCC[C@H](C[NH2+][C@@H](CC)c1ccccc1O)OC ZINC000378666742 799342571 /nfs/dbraw/zinc/34/25/71/799342571.db2.gz AZBSCQXVSHAOHE-OCCSQVGLSA-N 1 0 251.370 3.248 20 10 CGCDRO C[C@@H]([NH2+]Cc1cc(Cl)ccc1O)[C@@H]1CCCCO1 ZINC000379184711 799347586 /nfs/dbraw/zinc/34/75/86/799347586.db2.gz QRCNIZKTWMJWHM-YGRLFVJLSA-N 1 0 269.772 3.093 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1CCC=CO1)c1ccc(N(C)C)cc1 ZINC000379987255 799356387 /nfs/dbraw/zinc/35/63/87/799356387.db2.gz MRYRAFKGVYBUEZ-BBRMVZONSA-N 1 0 260.381 3.096 20 10 CGCDRO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](C)[C@@H]2C)c1O ZINC000380690381 799365910 /nfs/dbraw/zinc/36/59/10/799365910.db2.gz BREIUXNSBRKLSI-UWVGGRQHSA-N 1 0 281.783 3.479 20 10 CGCDRO Cc1ccc(C[C@H](C)[NH2+]Cc2ccc(O)c(O)c2)cc1 ZINC001255780982 806747817 /nfs/dbraw/zinc/74/78/17/806747817.db2.gz SXNZEUDEJKUPKL-ZDUSSCGKSA-N 1 0 271.360 3.127 20 10 CGCDRO CC[N@@H+](Cc1c(O)ccc2ccccc21)C[C@@H](C)OC ZINC000383227930 799401670 /nfs/dbraw/zinc/40/16/70/799401670.db2.gz AFYGGHPSQSRWIU-CYBMUJFWSA-N 1 0 273.376 3.402 20 10 CGCDRO Cc1ccoc1C[NH2+]Cc1c(O)cccc1Cl ZINC000383555659 799404820 /nfs/dbraw/zinc/40/48/20/799404820.db2.gz YMZRMIXCYDLPGP-UHFFFAOYSA-N 1 0 251.713 3.237 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCS[C@@H]1C)c1ccccc1O ZINC000383954361 799410566 /nfs/dbraw/zinc/41/05/66/799410566.db2.gz GZKSWHJFVIANLQ-KGYLQXTDSA-N 1 0 251.395 3.327 20 10 CGCDRO CC(C)[C@H](C[NH2+][C@@H]1CCc2cccc(O)c21)N1CCCC1 ZINC000386652036 799438396 /nfs/dbraw/zinc/43/83/96/799438396.db2.gz YOEDNWRGCCQHDC-CVEARBPZSA-N 1 0 288.435 3.090 20 10 CGCDRO Cc1c(C[NH2+]Cc2ccc(N(C)C)cc2)cccc1[N+](=O)[O-] ZINC000389449309 799462333 /nfs/dbraw/zinc/46/23/33/799462333.db2.gz HUVGCSISTUUBET-UHFFFAOYSA-N 1 0 299.374 3.259 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCCC2(F)F)c1 ZINC000390892308 799475774 /nfs/dbraw/zinc/47/57/74/799475774.db2.gz YZWIDOFXBIHAHS-GHMZBOCLSA-N 1 0 285.334 3.487 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2C)C(C)(C)O ZINC000394013167 799493273 /nfs/dbraw/zinc/49/32/73/799493273.db2.gz NPWUEKNDKPLGRZ-SCRDCRAPSA-N 1 0 277.408 3.388 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CC[C@](C)(CC)C2)c1O ZINC000399381223 799538049 /nfs/dbraw/zinc/53/80/49/799538049.db2.gz ZPYLFHMJIQOWCG-INIZCTEOSA-N 1 0 263.381 3.413 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1C[C@@H](C)O[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000686511433 799735236 /nfs/dbraw/zinc/73/52/36/799735236.db2.gz PKXZIZFWWHQOTL-HLPPOEQASA-N 1 0 276.424 3.217 20 10 CGCDRO CC[C@@H]1C[C@H]([NH2+]Cc2ccc(N(CC)CC)cc2)CO1 ZINC000688530807 799750268 /nfs/dbraw/zinc/75/02/68/799750268.db2.gz PLNCQOQUIQKWEK-DOTOQJQBSA-N 1 0 276.424 3.190 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@]2(C)CC2(F)F)c1 ZINC000689214293 799762155 /nfs/dbraw/zinc/76/21/55/799762155.db2.gz OSNQKVJKBWSKGB-GXFFZTMASA-N 1 0 255.308 3.397 20 10 CGCDRO C[C@H]([NH2+]C[C@@]1(C)CC1(F)F)c1cc(F)ccc1O ZINC000689225452 799763470 /nfs/dbraw/zinc/76/34/70/799763470.db2.gz QLYKVWMIKRAYNO-QPUJVOFHSA-N 1 0 259.271 3.227 20 10 CGCDRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(Br)cc2O)C1 ZINC000691425233 799784011 /nfs/dbraw/zinc/78/40/11/799784011.db2.gz DFYSRRPJEMTOFW-BXKDBHETSA-N 1 0 284.197 3.433 20 10 CGCDRO CCc1cccc(C[NH2+]CCC2(OC)CCC2)c1O ZINC000691437954 799784209 /nfs/dbraw/zinc/78/42/09/799784209.db2.gz ZTISKGAMAYRIQE-UHFFFAOYSA-N 1 0 263.381 3.003 20 10 CGCDRO CCc1cccc(C[NH2+]CCc2ccccc2)c1O ZINC000691506175 799785527 /nfs/dbraw/zinc/78/55/27/799785527.db2.gz OHFISWRIEVTMQN-UHFFFAOYSA-N 1 0 255.361 3.287 20 10 CGCDRO C[C@@H](C[NH2+]Cc1c(O)cccc1Cl)c1ccccn1 ZINC000692655465 799795358 /nfs/dbraw/zinc/79/53/58/799795358.db2.gz DMVBGIJPSZJFRU-NSHDSACASA-N 1 0 276.767 3.334 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCCSCC1)c1ccccc1O ZINC000692498671 799795479 /nfs/dbraw/zinc/79/54/79/799795479.db2.gz DRGOPUHLQURRDB-RYUDHWBXSA-N 1 0 251.395 3.329 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC2SCCS2)c1 ZINC000692905850 799802988 /nfs/dbraw/zinc/80/29/88/799802988.db2.gz VRMHTNRXSHISHW-SNVBAGLBSA-N 1 0 269.435 3.157 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCOC2(C)C)c(O)c1 ZINC000693079600 799807242 /nfs/dbraw/zinc/80/72/42/799807242.db2.gz POQARSLWZSWCIU-CHWSQXEVSA-N 1 0 263.381 3.166 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1CCOC1(C)C)c1ccc(N(C)C)cc1 ZINC000693106648 799807790 /nfs/dbraw/zinc/80/77/90/799807790.db2.gz GHKKVTOQNADTAY-HIFRSBDPSA-N 1 0 276.424 3.218 20 10 CGCDRO CC[C@@H]([NH2+][C@H]1CCN(C(C)(C)C)C1)c1ccccc1O ZINC000693889518 799817713 /nfs/dbraw/zinc/81/77/13/799817713.db2.gz NCHIQRVBDZMNSC-DZGCQCFKSA-N 1 0 276.424 3.306 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](C)Cc2ccccn2)cc1C ZINC000693999775 799819610 /nfs/dbraw/zinc/81/96/10/799819610.db2.gz ITPAQECPSSNIGN-AWEZNQCLSA-N 1 0 270.376 3.119 20 10 CGCDRO CC[C@@H](C)CC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000696236719 799838519 /nfs/dbraw/zinc/83/85/19/799838519.db2.gz QHVJDBXGYWDZLZ-OAHLLOKOSA-N 1 0 276.424 3.049 20 10 CGCDRO CCO[C@@H]1CC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000701668374 799893304 /nfs/dbraw/zinc/89/33/04/799893304.db2.gz PWVHPZQSCMZLAV-CQSZACIVSA-N 1 0 271.360 3.156 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]CC[C@H]1CC1(F)F ZINC000701944680 799899597 /nfs/dbraw/zinc/89/95/97/799899597.db2.gz OIUFMFHEHZNTQB-QMMMGPOBSA-N 1 0 261.699 3.181 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC[C@H]2CC2(F)F)c1 ZINC000701944756 799900095 /nfs/dbraw/zinc/90/00/95/799900095.db2.gz BUBVVPHEDSDUIZ-MNOVXSKESA-N 1 0 255.308 3.397 20 10 CGCDRO CC1([NH2+]Cc2ccc(Br)cc2O)CC=CC1 ZINC000702172111 799903470 /nfs/dbraw/zinc/90/34/70/799903470.db2.gz HSYRSIHXEKUSGY-UHFFFAOYSA-N 1 0 282.181 3.353 20 10 CGCDRO COC1CCC([NH2+][C@@H](C)c2cc(F)ccc2O)CC1 ZINC000703834441 799930795 /nfs/dbraw/zinc/93/07/95/799930795.db2.gz AECNWXFGMVZVKN-PKSQDBQZSA-N 1 0 267.344 3.140 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]CC[C@@H]1CCSC1 ZINC000704774497 799939874 /nfs/dbraw/zinc/93/98/74/799939874.db2.gz IEMLIAQUQHDONJ-SNVBAGLBSA-N 1 0 271.813 3.278 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C[C@H]2CCCC23CC3)c1 ZINC000706213585 799958841 /nfs/dbraw/zinc/95/88/41/799958841.db2.gz FVZLFJKZZPCELK-CYBMUJFWSA-N 1 0 261.365 3.071 20 10 CGCDRO COc1ccc(O)c(C[NH+]2C3CCCC2CCC3)c1 ZINC000707155423 799973502 /nfs/dbraw/zinc/97/35/02/799973502.db2.gz NCJHTYMSEFGSSA-UHFFFAOYSA-N 1 0 261.365 3.308 20 10 CGCDRO C[C@@H]1CCC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000707128916 799974112 /nfs/dbraw/zinc/97/41/12/799974112.db2.gz CLKAATXTXWDRDA-SNVBAGLBSA-N 1 0 284.197 3.387 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCc2ccns2)c(O)c1 ZINC000710011986 800026992 /nfs/dbraw/zinc/02/69/92/800026992.db2.gz VPDSZSBEZHZWEO-LLVKDONJSA-N 1 0 262.378 3.050 20 10 CGCDRO CO[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2ccccc2O)CC1 ZINC000718353045 800215955 /nfs/dbraw/zinc/21/59/55/800215955.db2.gz OTQIUEWFIKFPDE-MELADBBJSA-N 1 0 263.381 3.391 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H]1CC[C@@H](C2CC2)O1)c1ccccc1O ZINC000722333771 800314813 /nfs/dbraw/zinc/31/48/13/800314813.db2.gz OELJLGHBDNICPD-QRTARXTBSA-N 1 0 275.392 3.391 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cc(Cl)ccc1O)[C@H]1CCCOC1 ZINC000723951973 800345260 /nfs/dbraw/zinc/34/52/60/800345260.db2.gz PYWPPGNAERDBLY-SMDDNHRTSA-N 1 0 283.799 3.340 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)[C@H]1CCCOC1 ZINC000724011050 800352307 /nfs/dbraw/zinc/35/23/07/800352307.db2.gz KBVJETYKMTVODV-HUBLWGQQSA-N 1 0 281.371 3.387 20 10 CGCDRO CCOc1ccc(C[NH2+][C@H](c2ccccn2)C2CC2)c(O)c1 ZINC000922586067 800619436 /nfs/dbraw/zinc/61/94/36/800619436.db2.gz JYUTZFZNZWPCQZ-SFHVURJKSA-N 1 0 298.386 3.427 20 10 CGCDRO COC[C@H]1CCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001116442931 802348522 /nfs/dbraw/zinc/34/85/22/802348522.db2.gz YHYIYVDYNVGZDI-KRWDZBQOSA-N 1 0 288.435 3.145 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C(C)(C)CF)cc1 ZINC001116627748 802388885 /nfs/dbraw/zinc/38/88/85/802388885.db2.gz SKALMDLLXPFYBT-UHFFFAOYSA-N 1 0 252.377 3.371 20 10 CGCDRO CCC[N@H+](Cc1cc(Cl)n(C)n1)Cc1ccccc1O ZINC001118816201 802608111 /nfs/dbraw/zinc/60/81/11/802608111.db2.gz OKXHNNJOZXOTGC-UHFFFAOYSA-N 1 0 293.798 3.191 20 10 CGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]CC[C@H]1CCCO1 ZINC001119438394 802665002 /nfs/dbraw/zinc/66/50/02/802665002.db2.gz KEZUJCQDGGIDLS-MJBXVCDLSA-N 1 0 275.392 3.408 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(N)cc1)c1c(C)noc1C ZINC001120269053 802737681 /nfs/dbraw/zinc/73/76/81/802737681.db2.gz MECYIWQFQPXDHV-AWEZNQCLSA-N 1 0 259.353 3.115 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCCN(C2CCCC2)C1)c1ccccc1O ZINC001256901452 807001916 /nfs/dbraw/zinc/00/19/16/807001916.db2.gz HLBJCTDFHNSWDX-LSDHHAIUSA-N 1 0 288.435 3.450 20 10 CGCDRO Cc1cc(C[NH+]2CC=CC2)c(C)n1-c1ccccc1 ZINC001137854180 803783891 /nfs/dbraw/zinc/78/38/91/803783891.db2.gz LHUDMJHIAVWMBA-UHFFFAOYSA-N 1 0 252.361 3.466 20 10 CGCDRO CO[C@H](C)C1C[NH+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC001138222042 803873739 /nfs/dbraw/zinc/87/37/39/803873739.db2.gz CUVAREVNEYHBAI-OAHLLOKOSA-N 1 0 288.435 3.144 20 10 CGCDRO Cc1c(C[N@@H+]2CCO[C@@H](C(C)C)C2)c2ccccc2n1C ZINC001138258059 803883627 /nfs/dbraw/zinc/88/36/27/803883627.db2.gz JSECERAKKOCUPP-GOSISDBHSA-N 1 0 286.419 3.344 20 10 CGCDRO CO[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCCN3C)[C@@H](C)C1 ZINC001138360144 803903301 /nfs/dbraw/zinc/90/33/01/803903301.db2.gz NQHRBFXSNJUPNH-WMLDXEAASA-N 1 0 288.435 3.068 20 10 CGCDRO Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CCC12CCCC2 ZINC001139124887 804133745 /nfs/dbraw/zinc/13/37/45/804133745.db2.gz HHDUPAYSDAJEBZ-UHFFFAOYSA-N 1 0 299.370 3.326 20 10 CGCDRO Cc1cc(C[N@@H+]2CCC[C@H](CF)C2)ccc1N(C)C ZINC001139672998 804247891 /nfs/dbraw/zinc/24/78/91/804247891.db2.gz MYYVYXXYHQGJKR-OAHLLOKOSA-N 1 0 264.388 3.243 20 10 CGCDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)Cc1cccc(F)n1 ZINC001140133574 804384635 /nfs/dbraw/zinc/38/46/35/804384635.db2.gz OGMUTVFWBBJXQU-UHFFFAOYSA-N 1 0 299.393 3.453 20 10 CGCDRO Cc1ccc(C)c(C[NH+]2CCC3(CCCOC3)CC2)c1O ZINC001140183673 804396528 /nfs/dbraw/zinc/39/65/28/804396528.db2.gz FUQFJMZDBTZRCV-UHFFFAOYSA-N 1 0 289.419 3.402 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)CCC[C@]1(C)O ZINC001140337891 804417444 /nfs/dbraw/zinc/41/74/44/804417444.db2.gz LMYUGBUEHBSYCW-ABAIWWIYSA-N 1 0 283.799 3.029 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)CCC[C@@]1(C)O ZINC001140337892 804418268 /nfs/dbraw/zinc/41/82/68/804418268.db2.gz LMYUGBUEHBSYCW-IAQYHMDHSA-N 1 0 283.799 3.029 20 10 CGCDRO Oc1cccc(Cl)c1C[N@@H+]1CC[C@@H]2CCCO[C@@H]2C1 ZINC001140339420 804420311 /nfs/dbraw/zinc/42/03/11/804420311.db2.gz UUYFZWWXVYNSJS-XHDPSFHLSA-N 1 0 281.783 3.047 20 10 CGCDRO C[N@H+](Cc1cncs1)Cc1ccc(Cl)cc1O ZINC001140464678 804441953 /nfs/dbraw/zinc/44/19/53/804441953.db2.gz ZXARITOHGLKONQ-UHFFFAOYSA-N 1 0 268.769 3.134 20 10 CGCDRO Oc1cc(Cl)ccc1C[NH+]1CCC(CF)CC1 ZINC001140467251 804443597 /nfs/dbraw/zinc/44/35/97/804443597.db2.gz RVLTZTUTUJFQKY-UHFFFAOYSA-N 1 0 257.736 3.227 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H](C(F)F)C2)c1 ZINC001140621262 804476810 /nfs/dbraw/zinc/47/68/10/804476810.db2.gz SQHIIPDZXVFGFI-NSHDSACASA-N 1 0 255.308 3.178 20 10 CGCDRO Fc1cc(N2CCOCC2)ccc1C[NH+]1CCCCCC1 ZINC001140660372 804485677 /nfs/dbraw/zinc/48/56/77/804485677.db2.gz PXSVUXVGRKAAQQ-UHFFFAOYSA-N 1 0 292.398 3.038 20 10 CGCDRO Cc1ccccc1C[N@@H+](C)Cc1ccc(O)c(C)c1O ZINC001140746036 804503663 /nfs/dbraw/zinc/50/36/63/804503663.db2.gz SYEKMMHLBNUTHJ-UHFFFAOYSA-N 1 0 271.360 3.347 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](CC)C2CC2)c(O)c1 ZINC001140850214 804533777 /nfs/dbraw/zinc/53/37/77/804533777.db2.gz GTTMGTWTJUJTCN-UHFFFAOYSA-N 1 0 262.397 3.223 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCC[C@@H](Oc3cccnc3)C2)c(O)c1 ZINC001140949380 804556689 /nfs/dbraw/zinc/55/66/89/804556689.db2.gz ALWYOEDQARIIDL-QGZVFWFLSA-N 1 0 298.386 3.139 20 10 CGCDRO Cc1ccc(C[N@@H+]2CC[C@H](F)C(F)(F)CC2)c(O)c1 ZINC001140948518 804556871 /nfs/dbraw/zinc/55/68/71/804556871.db2.gz LHBJZQHWSNOBLK-ZDUSSCGKSA-N 1 0 273.298 3.270 20 10 CGCDRO CC[C@@H]1CCCC[N@@H+]1Cc1ccc2c(c1)OCCN2C ZINC001141143820 804596683 /nfs/dbraw/zinc/59/66/83/804596683.db2.gz LKYQYVWQRNGXHB-OAHLLOKOSA-N 1 0 274.408 3.280 20 10 CGCDRO CN1CCOc2cc(C[N@@H+]3CCC[C@@](C)(F)CC3)ccc21 ZINC001141139816 804596746 /nfs/dbraw/zinc/59/67/46/804596746.db2.gz CMFFFSCASCAYOW-QGZVFWFLSA-N 1 0 292.398 3.229 20 10 CGCDRO CN1CCOc2cc(C[N@@H+]3CCC[C@@H]4CCC[C@H]43)ccc21 ZINC001141143526 804596762 /nfs/dbraw/zinc/59/67/62/804596762.db2.gz CHSKSPFUKXVADO-JKSUJKDBSA-N 1 0 286.419 3.280 20 10 CGCDRO CN1CCOc2cc(C[N@@H+]3CC[C@@H]3c3ccccc3)ccc21 ZINC001141144225 804597012 /nfs/dbraw/zinc/59/70/12/804597012.db2.gz WMGXTSYPMVGTMU-QGZVFWFLSA-N 1 0 294.398 3.462 20 10 CGCDRO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1ccc2c(c1)OCCN2C ZINC001141139086 804597223 /nfs/dbraw/zinc/59/72/23/804597223.db2.gz ILGMRQCESGKTAP-ZIAGYGMSSA-N 1 0 274.408 3.278 20 10 CGCDRO CN1CCOc2cc(C[N@@H+]3CCC34CCCC4)ccc21 ZINC001141140821 804597247 /nfs/dbraw/zinc/59/72/47/804597247.db2.gz POMZZIJEJBOEIR-UHFFFAOYSA-N 1 0 272.392 3.034 20 10 CGCDRO Oc1ccc(O)c(C[NH+]2CCC(c3ccccc3)CC2)c1 ZINC001141157109 804599720 /nfs/dbraw/zinc/59/97/20/804599720.db2.gz CDTQDDQPQIGTTK-UHFFFAOYSA-N 1 0 283.371 3.477 20 10 CGCDRO CC[N@H+](Cc1ccccc1)Cc1cc(O)ccc1O ZINC001141155817 804599797 /nfs/dbraw/zinc/59/97/97/804599797.db2.gz KOYUOEFLLRAXDP-UHFFFAOYSA-N 1 0 257.333 3.120 20 10 CGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246920627 804600907 /nfs/dbraw/zinc/60/09/07/804600907.db2.gz JFMRFDFYNZMTBU-QGZVFWFLSA-N 1 0 289.467 3.105 20 10 CGCDRO CC[N@H+](Cc1sccc1OC)Cc1ccccc1O ZINC001141327093 804631715 /nfs/dbraw/zinc/63/17/15/804631715.db2.gz JFAHSBSNMZWEIK-UHFFFAOYSA-N 1 0 277.389 3.484 20 10 CGCDRO CCC[NH+]1CCN(Cc2cccc(C(C)(C)C)c2O)CC1 ZINC001143111240 804802841 /nfs/dbraw/zinc/80/28/41/804802841.db2.gz ZTSHZPLWPKPKFL-UHFFFAOYSA-N 1 0 290.451 3.217 20 10 CGCDRO CC(C)(C)c1cccc(C[N@@H+]2CC[C@@H]3OCC[C@H]3C2)c1O ZINC001143111923 804803172 /nfs/dbraw/zinc/80/31/72/804803172.db2.gz IJGNHURTQHSCEB-BBRMVZONSA-N 1 0 289.419 3.301 20 10 CGCDRO CC[N@@H+](Cc1ccccc1O)Cc1cccc(O)c1C ZINC001144116906 804938032 /nfs/dbraw/zinc/93/80/32/804938032.db2.gz FBKYTZQMZJQYGX-UHFFFAOYSA-N 1 0 271.360 3.428 20 10 CGCDRO C[N@H+](Cc1ccccc1O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001167733910 807235827 /nfs/dbraw/zinc/23/58/27/807235827.db2.gz FSBUAQGUJMZBHC-UHFFFAOYSA-N 1 0 290.294 3.072 20 10 CGCDRO CCOc1ccc(N2CC[NH+]([C@@H]3C[C@H]4C[C@H]4C3)CC2)cc1 ZINC001167948006 807279740 /nfs/dbraw/zinc/27/97/40/807279740.db2.gz JKPBJTDRTYFNJD-SCAQPMJSSA-N 1 0 286.419 3.006 20 10 CGCDRO CC(C)=CCC[C@@H](C)[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC001258084303 807296978 /nfs/dbraw/zinc/29/69/78/807296978.db2.gz SUTNDOJGBCNJOE-GFCCVEGCSA-N 1 0 277.364 3.005 20 10 CGCDRO Oc1ccccc1C[NH2+][C@H]1CCc2cc(F)ccc2C1 ZINC001168400520 807404530 /nfs/dbraw/zinc/40/45/30/807404530.db2.gz NZESQQLKLBRNQV-INIZCTEOSA-N 1 0 271.335 3.178 20 10 CGCDRO C[C@@H](Cc1cccc(F)c1)[NH2+]CCc1ccc(O)c(O)c1 ZINC001168460971 807423756 /nfs/dbraw/zinc/42/37/56/807423756.db2.gz XPLDYVSWHNQHLR-LBPRGKRZSA-N 1 0 289.350 3.000 20 10 CGCDRO Oc1ccccc1C[NH2+][C@@H]1Cc2cccc(Cl)c2C1 ZINC001168686636 807478947 /nfs/dbraw/zinc/47/89/47/807478947.db2.gz ZNJSPQMPHRXVCP-CYBMUJFWSA-N 1 0 273.763 3.303 20 10 CGCDRO CCCC1CCC([NH2+]CC(=O)c2ccc(O)c(O)c2)CC1 ZINC001258529520 807486529 /nfs/dbraw/zinc/48/65/29/807486529.db2.gz PPFBBDOMBGKSKA-UHFFFAOYSA-N 1 0 291.391 3.229 20 10 CGCDRO CC[C@H](C)C[C@H](CC)[NH2+]Cc1cccc(O)c1O ZINC001258786036 807611815 /nfs/dbraw/zinc/61/18/15/807611815.db2.gz YRLRUPKAYMBKGZ-AAEUAGOBSA-N 1 0 251.370 3.402 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@H]2CCC[C@H](F)C2)c1O ZINC001261515793 807754221 /nfs/dbraw/zinc/75/42/21/807754221.db2.gz UJYIXBTZLKULIO-SRVKXCTJSA-N 1 0 267.344 3.332 20 10 CGCDRO CO[C@H](C[NH2+]Cc1ccc(C)cc1O)c1ccc(F)cc1 ZINC001262009360 807804330 /nfs/dbraw/zinc/80/43/30/807804330.db2.gz UJNAEIYTFLYPJI-QGZVFWFLSA-N 1 0 289.350 3.317 20 10 CGCDRO CC[C@@H]1COC(C)(C)C[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC001171778181 808136714 /nfs/dbraw/zinc/13/67/14/808136714.db2.gz JYWYNXPLXRGXRB-OAHLLOKOSA-N 1 0 276.424 3.142 20 10 CGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172246157 808210221 /nfs/dbraw/zinc/21/02/21/808210221.db2.gz XNQYIOCZUQKZBL-AYHJJNSGSA-N 1 0 286.419 3.061 20 10 CGCDRO Oc1ccc(C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)cc1O ZINC001172714072 808415922 /nfs/dbraw/zinc/41/59/22/808415922.db2.gz TZHJLTGLVHLUPL-AWEZNQCLSA-N 1 0 289.762 3.008 20 10 CGCDRO CO[C@@H]1CCC[C@H]([NH2+]Cc2c(C)cc(C)cc2O)C1 ZINC001172926104 808483775 /nfs/dbraw/zinc/48/37/75/808483775.db2.gz OEQPSTSGTBVXIP-UONOGXRCSA-N 1 0 263.381 3.056 20 10 CGCDRO CCSC[C@H](C)[N@H+](CC)Cc1ccccc1O ZINC001173312258 808606146 /nfs/dbraw/zinc/60/61/46/808606146.db2.gz SBLKHZFNFAFKOK-LBPRGKRZSA-N 1 0 253.411 3.356 20 10 CGCDRO CCOC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccccc2O)C1 ZINC001173642432 808657975 /nfs/dbraw/zinc/65/79/75/808657975.db2.gz PKKXQULJVXOVQU-MJBXVCDLSA-N 1 0 291.391 3.165 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@@H]2CCN(C3CC3)C2)cc1C ZINC001177744116 809818762 /nfs/dbraw/zinc/81/87/62/809818762.db2.gz RPKRKNMQZRLVND-MRXNPFEDSA-N 1 0 288.435 3.110 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](CO)CCC(C)C)cc1 ZINC001179153178 809907186 /nfs/dbraw/zinc/90/71/86/809907186.db2.gz IMASHZKDXLODLA-QGZVFWFLSA-N 1 0 292.467 3.420 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@H]2C[C@H](OC)C2)cc1C ZINC001179291473 809912304 /nfs/dbraw/zinc/91/23/04/809912304.db2.gz PBQPYVYMGOPBGG-SHTZXODSSA-N 1 0 263.381 3.051 20 10 CGCDRO CC1(C)CCC[C@@H](C[NH2+]Cc2ccc3c(c2)CCCO3)O1 ZINC001179741212 809940976 /nfs/dbraw/zinc/94/09/76/809940976.db2.gz VOAJEYJVPDSRKD-INIZCTEOSA-N 1 0 289.419 3.449 20 10 CGCDRO CC[N@@H+]1C[C@@H](C)N(Cc2cc(Cl)c(C)cc2O)C[C@@H]1C ZINC001180141336 809977346 /nfs/dbraw/zinc/97/73/46/809977346.db2.gz GEWQCMGWZPMMFY-QWHCGFSZSA-N 1 0 296.842 3.269 20 10 CGCDRO CC1(C)C[C@H]([NH2+]Cc2ccc(Cl)cc2O)C(C)(C)O1 ZINC001180350238 809995873 /nfs/dbraw/zinc/99/58/73/809995873.db2.gz WVHGLFOYXYLXJD-ZDUSSCGKSA-N 1 0 283.799 3.481 20 10 CGCDRO Cc1ccc(C[N@H+]2Cc3ccccc3OC[C@H]2C)c(O)c1 ZINC001180812219 810023203 /nfs/dbraw/zinc/02/32/03/810023203.db2.gz XGTAMBZZKRHTFZ-CQSZACIVSA-N 1 0 283.371 3.484 20 10 CGCDRO CCC[C@@]1(CO)CCC[N@@H+]1Cc1ccc(Cl)cc1O ZINC001181335717 810047299 /nfs/dbraw/zinc/04/72/99/810047299.db2.gz FLDGFDSBKWZSIY-HNNXBMFYSA-N 1 0 283.799 3.173 20 10 CGCDRO Cc1ccc(C[NH2+][C@H](C(C)C)[C@H](CO)C(C)C)c(O)c1 ZINC001181894244 810081535 /nfs/dbraw/zinc/08/15/35/810081535.db2.gz WZQFSAGPQVJTGU-NVXWUHKLSA-N 1 0 279.424 3.079 20 10 CGCDRO CCOc1ccc(N2CC[NH+](CCC(C)C)CC2)cc1 ZINC001201629956 811924431 /nfs/dbraw/zinc/92/44/31/811924431.db2.gz GMLYIXNWYIPOQN-UHFFFAOYSA-N 1 0 276.424 3.253 20 10 CGCDRO COc1ccccc1O[C@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC001203556427 812390563 /nfs/dbraw/zinc/39/05/63/812390563.db2.gz PLZZIMRQJHTHSS-HNNXBMFYSA-N 1 0 299.370 3.054 20 10 CGCDRO Cc1ccc(N2CC[NH+](Cc3ccccc3O)CC2)c(C)c1 ZINC001203556233 812391615 /nfs/dbraw/zinc/39/16/15/812391615.db2.gz PBQPNTOGQBASAE-UHFFFAOYSA-N 1 0 296.414 3.331 20 10 CGCDRO CCOc1cccc(C[NH+]2CCC3(CC3)CC2)c1O ZINC001203603622 812405385 /nfs/dbraw/zinc/40/53/85/812405385.db2.gz UJHFEMPCNIFLEL-UHFFFAOYSA-N 1 0 261.365 3.167 20 10 CGCDRO CCCC[N@H+](CCC)Cc1ccc(OC)cc1O ZINC001203628580 812411216 /nfs/dbraw/zinc/41/12/16/812411216.db2.gz BXZPJLAAEPUYTI-UHFFFAOYSA-N 1 0 251.370 3.413 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)CCC[C@@]1(C)O ZINC001203650840 812415796 /nfs/dbraw/zinc/41/57/96/812415796.db2.gz FIHJXGXSJFROIO-IAQYHMDHSA-N 1 0 283.799 3.029 20 10 CGCDRO COC[C@@]12CCC[C@@H]1C[N@H+](Cc1cc(Cl)ccc1O)C2 ZINC001203658745 812419394 /nfs/dbraw/zinc/41/93/94/812419394.db2.gz NLVDBLCBSAMIPM-CJNGLKHVSA-N 1 0 295.810 3.294 20 10 CGCDRO c1cc2c(cc1C[NH2+]C[C@]13C[C@H]1CCC3)CCCO2 ZINC001203783152 812459270 /nfs/dbraw/zinc/45/92/70/812459270.db2.gz QSGFPUSFJLUJFF-WBVHZDCISA-N 1 0 257.377 3.291 20 10 CGCDRO Oc1ccc(C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)cc1O ZINC001203881302 812480198 /nfs/dbraw/zinc/48/01/98/812480198.db2.gz OTNXNUSZQQPFPK-KGLIPLIRSA-N 1 0 261.365 3.252 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)cc1 ZINC001203939388 812497324 /nfs/dbraw/zinc/49/73/24/812497324.db2.gz ARCTYHAXCWXUNE-XIRDDKMYSA-N 1 0 276.399 3.323 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](O)[C@@H](C)C2)cc1 ZINC001203940299 812497774 /nfs/dbraw/zinc/49/77/74/812497774.db2.gz LONIGDWMYMURPZ-MAUKXSAKSA-N 1 0 290.451 3.126 20 10 CGCDRO Cc1ccsc1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001204023467 812524724 /nfs/dbraw/zinc/52/47/24/812524724.db2.gz JZXGQLQUSSKZSR-UHFFFAOYSA-N 1 0 259.374 3.320 20 10 CGCDRO CN(C)c1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)c2ccccc21 ZINC001204232836 812579829 /nfs/dbraw/zinc/57/98/29/812579829.db2.gz KHKALRZQADWICZ-IYBDPMFKSA-N 1 0 296.414 3.269 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCCC(=O)CC2)c2ccccc21 ZINC001204235090 812581726 /nfs/dbraw/zinc/58/17/26/812581726.db2.gz FYOJDLJBGMZBPD-UHFFFAOYSA-N 1 0 296.414 3.461 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@](C)(O)C2)c2ccccc21 ZINC001204242812 812583658 /nfs/dbraw/zinc/58/36/58/812583658.db2.gz SFRCWGBYKMOOHJ-IBGZPJMESA-N 1 0 298.430 3.253 20 10 CGCDRO CCC(CC)[N@H+](CCOC)Cc1cc(C)cc(OC)c1O ZINC001204315854 812609166 /nfs/dbraw/zinc/60/91/66/812609166.db2.gz ZPSUWFYXLOTIST-UHFFFAOYSA-N 1 0 295.423 3.346 20 10 CGCDRO F[C@@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)C[C@@H]2C[C@@H]21 ZINC001204323218 812613427 /nfs/dbraw/zinc/61/34/27/812613427.db2.gz GFGOUONAWPVNNZ-BHYGNILZSA-N 1 0 274.383 3.077 20 10 CGCDRO O=C1CCC[C@H]2C[N@H+](Cc3ccc(N4CCCC4)cc3)C[C@H]12 ZINC001204329337 812613986 /nfs/dbraw/zinc/61/39/86/812613986.db2.gz MQRTVHZDHJLQGV-WMZOPIPTSA-N 1 0 298.430 3.088 20 10 CGCDRO c1cc(N2CCCC2)ccc1C[N@@H+]1CCCCC12COC2 ZINC001204326997 812614480 /nfs/dbraw/zinc/61/44/80/812614480.db2.gz LBIQYEGHAJJJGX-UHFFFAOYSA-N 1 0 286.419 3.042 20 10 CGCDRO C[C@@]1(O)CCCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204326451 812614789 /nfs/dbraw/zinc/61/47/89/812614789.db2.gz YFHQINXVRRLMRU-GOSISDBHSA-N 1 0 288.435 3.024 20 10 CGCDRO COc1cc(CN2CC[C@H]2c2ccccc2)cc(O)c1O ZINC001204346566 812616001 /nfs/dbraw/zinc/61/60/01/812616001.db2.gz VCZKKPPFBZNCLK-AWEZNQCLSA-N 1 0 285.343 3.053 20 10 CGCDRO CO[C@@]1(C)C[C@@H]([N@H+](C)Cc2ccc(C)cc2O)C1(C)C ZINC001204359004 812621627 /nfs/dbraw/zinc/62/16/27/812621627.db2.gz NYRWXWMLCCOHTH-WBVHZDCISA-N 1 0 277.408 3.336 20 10 CGCDRO CC(C)(C)c1cc(O)c(CN2CCC[C@H]([NH3+])C2)cc1Cl ZINC001204885106 812763126 /nfs/dbraw/zinc/76/31/26/812763126.db2.gz IMUMXDLHAQLWAZ-LBPRGKRZSA-N 1 0 296.842 3.266 20 10 CGCDRO C[C@@H]1c2ccccc2CC[N@H+]1Cc1ccc(N)cc1 ZINC001205164369 812893925 /nfs/dbraw/zinc/89/39/25/812893925.db2.gz DQKVMEYDWOLQEW-CYBMUJFWSA-N 1 0 252.361 3.388 20 10 CGCDRO Cc1cc(O)c(C[NH2+]Cc2ncccc2F)cc1Cl ZINC001205645747 813039684 /nfs/dbraw/zinc/03/96/84/813039684.db2.gz PQOCKLLTVALHQQ-UHFFFAOYSA-N 1 0 280.730 3.178 20 10 CGCDRO CCCN(C[C@](C)(CC)OC)c1ccc(C[NH3+])cc1 ZINC001205656541 813043724 /nfs/dbraw/zinc/04/37/24/813043724.db2.gz PLVKNLHOQCAGAO-INIZCTEOSA-N 1 0 264.413 3.177 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(CN2CCC[NH2+]C[C@@H]2C)cc1 ZINC001206258172 813259802 /nfs/dbraw/zinc/25/98/02/813259802.db2.gz SIACURKBMPDNMS-KRWDZBQOSA-N 1 0 297.446 3.278 20 10 CGCDRO CC[C@@]1(O)CCC[N@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC001207101271 813487673 /nfs/dbraw/zinc/48/76/73/813487673.db2.gz HJOZPZPLQVOVDC-OAHLLOKOSA-N 1 0 283.799 3.091 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H](CF)C1 ZINC001207316409 813539804 /nfs/dbraw/zinc/53/98/04/813539804.db2.gz ZEXAXXJHQPTRFG-AWEZNQCLSA-N 1 0 264.388 3.243 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H](CF)C1 ZINC001207316411 813540009 /nfs/dbraw/zinc/54/00/09/813540009.db2.gz ZEXAXXJHQPTRFG-CQSZACIVSA-N 1 0 264.388 3.243 20 10 CGCDRO Oc1ccc(F)cc1CNc1ccc2c([nH+]1)CCCC2 ZINC001207447182 813566175 /nfs/dbraw/zinc/56/61/75/813566175.db2.gz AUXGSMXFMVPWAE-UHFFFAOYSA-N 1 0 272.323 3.417 20 10 CGCDRO CC[N@@H+](Cc1ccccc1O)C[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC001207631483 813621560 /nfs/dbraw/zinc/62/15/60/813621560.db2.gz ICPYJRSHDCMHFL-SQWLQELKSA-N 1 0 257.377 3.426 20 10 CGCDRO C[C@@H](CC1CC1)[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001207748946 813644623 /nfs/dbraw/zinc/64/46/23/813644623.db2.gz RQOZYVGIVFFCMW-KBXCAEBGSA-N 1 0 289.467 3.134 20 10 CGCDRO Oc1cccc2c1C[N@H+](CC1Cc3ccccc3C1)CC2 ZINC001209322248 813998274 /nfs/dbraw/zinc/99/82/74/813998274.db2.gz DJRVTQLOWZXXNP-UHFFFAOYSA-N 1 0 279.383 3.165 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CC[C@@]23CCOC3)cc1 ZINC001209517504 814071801 /nfs/dbraw/zinc/07/18/01/814071801.db2.gz DGUWASBPFZKDCB-IBGZPJMESA-N 1 0 296.414 3.459 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(C[N@H+]2CC[C@@H](O)C[C@@H]2C)cc1 ZINC001209520116 814072973 /nfs/dbraw/zinc/07/29/73/814072973.db2.gz NJTYDLNYTVCBTQ-QFBILLFUSA-N 1 0 298.430 3.439 20 10 CGCDRO C[C@@H]1CCN(Cc2ccc(N(C)C)c3ccccc23)CC[NH2+]1 ZINC001210475795 814479418 /nfs/dbraw/zinc/47/94/18/814479418.db2.gz OVQHRZRJPHCDED-OAHLLOKOSA-N 1 0 297.446 3.090 20 10 CGCDRO O=[N+]([O-])c1ccc(/N=N/c2ccc(OC3C[NH2+]C3)cc2)cc1 ZINC001218053357 816076052 /nfs/dbraw/zinc/07/60/52/816076052.db2.gz ZCAFBENBYPCUPR-ISLYRVAYSA-N 1 0 298.302 3.361 20 10 CGCDRO C[C@@H]1CCC[C@@H](C)C1Oc1ccc(N2CC[NH2+]CC2)cc1 ZINC001218352170 816174836 /nfs/dbraw/zinc/17/48/36/816174836.db2.gz CAOKFIUVKKTZFP-HUUCEWRRSA-N 1 0 288.435 3.300 20 10 CGCDRO CC(C)c1ccc(CN2CC[C@]3(C2)CCCC[NH2+]3)c(O)c1 ZINC001222436143 816445019 /nfs/dbraw/zinc/44/50/19/816445019.db2.gz VRKQQZIDPOXUHB-SFHVURJKSA-N 1 0 288.435 3.234 20 10 CGCDRO C[C@@H]1CC(=O)CC[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC001231587560 818129124 /nfs/dbraw/zinc/12/91/24/818129124.db2.gz FMYJBEREEWJIMJ-GFCCVEGCSA-N 1 0 269.344 3.099 20 10 CGCDRO Cc1cccc(C[N@H+](C)CCC(=O)c2ccccc2)c1O ZINC001231592461 818131415 /nfs/dbraw/zinc/13/14/15/818131415.db2.gz MPMZLEJQLIIEAA-UHFFFAOYSA-N 1 0 283.371 3.405 20 10 CGCDRO Cc1cccc(C[N@H+](C)C[C@@H]2Cc3ccccc3O2)c1O ZINC001231594389 818132395 /nfs/dbraw/zinc/13/23/95/818132395.db2.gz DDWWFRUSFPQINJ-INIZCTEOSA-N 1 0 283.371 3.136 20 10 CGCDRO COc1cc(C[N@@H+]2CCC[C@@H]2c2ccccc2)c(O)cc1O ZINC001231635423 818144049 /nfs/dbraw/zinc/14/40/49/818144049.db2.gz IKDCEKISQWCIRO-OAHLLOKOSA-N 1 0 299.370 3.444 20 10 CGCDRO Cc1cc(C)c(C[NH+]2CCC(F)(F)CC2)c(O)c1 ZINC001231841910 818186330 /nfs/dbraw/zinc/18/63/30/818186330.db2.gz GVGXNDKRXHDTMA-UHFFFAOYSA-N 1 0 255.308 3.240 20 10 CGCDRO CCCCC[NH+]1CCN(Cc2c(C)cc(C)cc2O)CC1 ZINC001231845866 818187716 /nfs/dbraw/zinc/18/77/16/818187716.db2.gz RWRVVHBDIRFSMK-UHFFFAOYSA-N 1 0 290.451 3.317 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)cc1Cl ZINC001231869586 818193673 /nfs/dbraw/zinc/19/36/73/818193673.db2.gz RIFGTTJNJAMCSP-XHVZSJERSA-N 1 0 269.747 3.286 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2ccc3ccccc3c2O)CC[C@@]1(C)O ZINC001231879578 818199665 /nfs/dbraw/zinc/19/96/65/818199665.db2.gz JAWYBLKINQGSPJ-FZKQIMNGSA-N 1 0 285.387 3.138 20 10 CGCDRO C[C@@H]1CC(=O)CC[N@@H+]1Cc1ccc2ccccc2c1O ZINC001231879522 818199687 /nfs/dbraw/zinc/19/96/87/818199687.db2.gz GVTKPOINHGGCBM-GFCCVEGCSA-N 1 0 269.344 3.099 20 10 CGCDRO C[C@H]1C[N@H+](Cc2ccc3ccccc3c2O)CCC[C@H]1O ZINC001231879469 818199805 /nfs/dbraw/zinc/19/98/05/818199805.db2.gz DFOBDEGHGVBPCJ-SUMWQHHRSA-N 1 0 285.387 3.138 20 10 CGCDRO C[C@H]1CC[C@@H](CO)C[N@@H+]1Cc1ccc2ccccc2c1O ZINC001231879236 818200013 /nfs/dbraw/zinc/20/00/13/818200013.db2.gz AYEWPZQJWMSPBO-UONOGXRCSA-N 1 0 285.387 3.138 20 10 CGCDRO C[C@H]1CC[N@H+](Cc2ccc3ccccc3c2O)CC[C@H]1O ZINC001231879374 818200425 /nfs/dbraw/zinc/20/04/25/818200425.db2.gz CYPPANYXRFKGNU-SUMWQHHRSA-N 1 0 285.387 3.138 20 10 CGCDRO CC[C@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232195861 818275217 /nfs/dbraw/zinc/27/52/17/818275217.db2.gz ZYGJKDOGNJIIIC-ZDUSSCGKSA-N 1 0 296.842 3.407 20 10 CGCDRO C[N@H+](Cc1ccccc1O)Cc1cc(Cl)c(O)cc1O ZINC001232262609 818298484 /nfs/dbraw/zinc/29/84/84/818298484.db2.gz LGETUUWJLWKZKT-UHFFFAOYSA-N 1 0 293.750 3.089 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](CF)C2)cc1Cl ZINC001232269603 818299351 /nfs/dbraw/zinc/29/93/51/818299351.db2.gz GLVPAOYREUHDNY-JTQLQIEISA-N 1 0 287.762 3.236 20 10 CGCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@@H](C(F)F)C2)cc1Cl ZINC001232268868 818301180 /nfs/dbraw/zinc/30/11/80/818301180.db2.gz VBSLRPTUWQARLC-MRVPVSSYSA-N 1 0 291.725 3.228 20 10 CGCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CCCC[C@@H](O)C2)c1 ZINC001233284201 818565211 /nfs/dbraw/zinc/56/52/11/818565211.db2.gz LYQPPTAEYDSSLX-OAHLLOKOSA-N 1 0 277.408 3.037 20 10 CGCDRO C[C@H]1CC[N@H+](Cc2cc(C(C)(C)C)ccc2O)CCC1=O ZINC001233284047 818566411 /nfs/dbraw/zinc/56/64/11/818566411.db2.gz FZRKPENIYTULON-ZDUSSCGKSA-N 1 0 289.419 3.491 20 10 CGCDRO CCO[C@@H]1CC[N@H+](Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001233287058 818567058 /nfs/dbraw/zinc/56/70/58/818567058.db2.gz VCCOMFBGYVDYHN-OAHLLOKOSA-N 1 0 277.408 3.301 20 10 CGCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CCOC[C@H]2C2CC2)c1 ZINC001233287071 818567625 /nfs/dbraw/zinc/56/76/25/818567625.db2.gz VLEQKNPAOYCXFN-INIZCTEOSA-N 1 0 289.419 3.301 20 10 CGCDRO C[NH+](C)[C@H]1CCCN(Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001233286014 818568711 /nfs/dbraw/zinc/56/87/11/818568711.db2.gz AWKPNHSWRJFHIG-INIZCTEOSA-N 1 0 290.451 3.216 20 10 CGCDRO C[N@H+](Cc1cc(C(C)(C)C)ccc1O)[C@@H]1CCCOC1 ZINC001233287416 818570693 /nfs/dbraw/zinc/57/06/93/818570693.db2.gz OZIOZMULGCSWET-OAHLLOKOSA-N 1 0 277.408 3.301 20 10 CGCDRO COc1cc(Cl)cc(C[N@@H+]2C[C@H](C)CC23CC3)c1O ZINC001233290771 818570706 /nfs/dbraw/zinc/57/07/06/818570706.db2.gz VGCKBQSOXKRHNQ-SNVBAGLBSA-N 1 0 281.783 3.429 20 10 CGCDRO [O-]c1ccc(F)c(F)c1C[N@@H+]1CCCC2(CCC2)C1 ZINC001233336579 818588718 /nfs/dbraw/zinc/58/87/18/818588718.db2.gz QQZPVQNCNLKGHA-UHFFFAOYSA-N 1 0 267.319 3.437 20 10 CGCDRO CC1(C)COCC[N@@H+]1Cc1ccc(C(F)(F)F)cc1O ZINC001233454390 818623591 /nfs/dbraw/zinc/62/35/91/818623591.db2.gz SUXUMRSSKOLDAM-UHFFFAOYSA-N 1 0 289.297 3.022 20 10 CGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCC[C@@H]3CF)c2c1 ZINC001234579390 818885418 /nfs/dbraw/zinc/88/54/18/818885418.db2.gz XFEOBPHHMMJTGK-CYBMUJFWSA-N 1 0 289.350 3.488 20 10 CGCDRO CN(C)[C@H]1CC[N@H+](Cc2cccc(-c3ccccc3)c2O)C1 ZINC001234992179 818969321 /nfs/dbraw/zinc/96/93/21/818969321.db2.gz NTFXXXJNLSZRGD-KRWDZBQOSA-N 1 0 296.414 3.195 20 10 CGCDRO Oc1c(C[N@@H+]2CCC3(COC3)C2)cccc1-c1ccccc1 ZINC001235000921 818974071 /nfs/dbraw/zinc/97/40/71/818974071.db2.gz KZMBZJYKBVQCLU-UHFFFAOYSA-N 1 0 295.382 3.282 20 10 CGCDRO CC(C)(C)c1ccc(CN2CCCCC23C[NH2+]C3)c(O)c1 ZINC001235104680 819003695 /nfs/dbraw/zinc/00/36/95/819003695.db2.gz ODUNJLIUOLBBHG-UHFFFAOYSA-N 1 0 288.435 3.018 20 10 CGCDRO Oc1cc2ccccc2cc1CN1CCCC[C@@]12CC[NH2+]C2 ZINC001235130083 819013908 /nfs/dbraw/zinc/01/39/08/819013908.db2.gz QVRCMQACHPKPNR-IBGZPJMESA-N 1 0 296.414 3.263 20 10 CGCDRO CN(CC[NH+]1CCCC1)Cc1ccc(C(C)(C)C)cc1O ZINC001235679834 819140177 /nfs/dbraw/zinc/14/01/77/819140177.db2.gz RDHRQABWPNZYMN-UHFFFAOYSA-N 1 0 290.451 3.217 20 10 CGCDRO CC(C)(C)c1ccc(C[N@@H+]2CCC[C@@](C)(O)C2)c(O)c1 ZINC001235685244 819141207 /nfs/dbraw/zinc/14/12/07/819141207.db2.gz NPYGFZNSMYCZAG-QGZVFWFLSA-N 1 0 277.408 3.037 20 10 CGCDRO CCc1ccc(C[N@@H+]2CCN[C@H](c3ccccc3)C2)c(O)c1 ZINC001235858653 819188859 /nfs/dbraw/zinc/18/88/59/819188859.db2.gz YTUXEHUOOSILEK-SFHVURJKSA-N 1 0 296.414 3.101 20 10 CGCDRO C[C@H]1C[C@@H]([NH3+])CN(Cc2cccc(-c3ccccc3)c2O)C1 ZINC001236053041 819288929 /nfs/dbraw/zinc/28/89/29/819288929.db2.gz XREMCKAVXGODRW-WMLDXEAASA-N 1 0 296.414 3.228 20 10 CGCDRO Nc1ccc2c(c1)CC[N@@H+](Cc1c(O)cccc1Cl)C2 ZINC001236106016 819322514 /nfs/dbraw/zinc/32/25/14/819322514.db2.gz XRHSMORCKMKWHA-UHFFFAOYSA-N 1 0 288.778 3.186 20 10 CGCDRO CCN(CC[NH2+]C)Cc1cccc(-c2ccccc2)c1O ZINC001236143497 819343342 /nfs/dbraw/zinc/34/33/42/819343342.db2.gz LUQHIKXFQYQINR-UHFFFAOYSA-N 1 0 284.403 3.101 20 10 CGCDRO CN(Cc1cc(C(C)(C)C)ccc1O)[C@@]1(C)CCC[NH2+]C1 ZINC001236205529 819367672 /nfs/dbraw/zinc/36/76/72/819367672.db2.gz GKASKXJXOZLCQE-SFHVURJKSA-N 1 0 290.451 3.264 20 10 CGCDRO CC[N@@H+](Cc1ccc(N(C)C)cc1)C[C@@H](N)c1ccccc1 ZINC001236274473 819411917 /nfs/dbraw/zinc/41/19/17/819411917.db2.gz FPNFQARAFTXFJK-LJQANCHMSA-N 1 0 297.446 3.275 20 10 CGCDRO C[NH2+]C[C@H]1CCCN1Cc1cccc(-c2ccccc2)c1O ZINC001236421835 819468017 /nfs/dbraw/zinc/46/80/17/819468017.db2.gz PZWCERPGMLVMPU-QGZVFWFLSA-N 1 0 296.414 3.243 20 10 CGCDRO C[C@@H]1CN(Cc2ccc(N(C)C)c3ccccc23)C[C@@H](C)[NH2+]1 ZINC001236575829 819541895 /nfs/dbraw/zinc/54/18/95/819541895.db2.gz ZRNRASDBHOYWOG-HUUCEWRRSA-N 1 0 297.446 3.088 20 10 CGCDRO Oc1ccc(F)cc1CN([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236653723 819563222 /nfs/dbraw/zinc/56/32/22/819563222.db2.gz QVRMPTFWFGMSBN-MRXNPFEDSA-N 1 0 292.398 3.028 20 10 CGCDRO Cc1cccc(O)c1CN([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236661274 819566243 /nfs/dbraw/zinc/56/62/43/819566243.db2.gz BCBFILMJMIZGQV-INIZCTEOSA-N 1 0 288.435 3.197 20 10 CGCDRO CCCCC[N@H+](C)Cc1cc(OC)c(OC)cc1O ZINC001236749222 819589419 /nfs/dbraw/zinc/58/94/19/819589419.db2.gz AEKQXHSOOGUMLS-UHFFFAOYSA-N 1 0 267.369 3.031 20 10 CGCDRO CCc1ccc(C[NH+]2CC3(C2)CC(F)(F)C3)c(O)c1 ZINC001236783379 819593588 /nfs/dbraw/zinc/59/35/88/819593588.db2.gz KYZWNUFUHYJPTO-UHFFFAOYSA-N 1 0 267.319 3.186 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H]2C)c(Cl)c1 ZINC001236797956 819600456 /nfs/dbraw/zinc/60/04/56/819600456.db2.gz CJLMLXYGIDCLCQ-SECBINFHSA-N 1 0 255.745 3.039 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CCC[C@H]2C(C)(C)OC)c(O)c1 ZINC001236810434 819603602 /nfs/dbraw/zinc/60/36/02/819603602.db2.gz GWPWLMIXBDRPHE-INIZCTEOSA-N 1 0 293.407 3.099 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CCC[C@H](C)[C@H]2C)c(O)c1 ZINC001236813365 819604569 /nfs/dbraw/zinc/60/45/69/819604569.db2.gz JCWZFLKCRVVCKE-WCQYABFASA-N 1 0 263.381 3.330 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CCC[C@@H](C(F)F)C2)c(O)c1 ZINC001236811659 819605032 /nfs/dbraw/zinc/60/50/32/819605032.db2.gz VGOLDFFLFRCYGH-LLVKDONJSA-N 1 0 285.334 3.186 20 10 CGCDRO COc1cc(C)c(C[NH+]2CCC(SC)CC2)c(O)c1 ZINC001236814547 819605473 /nfs/dbraw/zinc/60/54/73/819605473.db2.gz UQBNNABKCSVTDF-UHFFFAOYSA-N 1 0 281.421 3.037 20 10 CGCDRO O=C1CC[N@H+](Cc2cc3ccccc3cc2O)CC[C@H]1F ZINC001236826208 819607296 /nfs/dbraw/zinc/60/72/96/819607296.db2.gz IKFKWGRKAWFZCY-OAHLLOKOSA-N 1 0 287.334 3.048 20 10 CGCDRO Oc1cc2ccccc2cc1C[NH+]1CCC2(CCO2)CC1 ZINC001236834484 819613690 /nfs/dbraw/zinc/61/36/90/819613690.db2.gz ZHTVSEZXABUZLL-UHFFFAOYSA-N 1 0 283.371 3.300 20 10 CGCDRO C[C@@H]1C[N@@H+](Cc2cc3ccccc3cc2O)C[C@H](C)O1 ZINC001236840648 819618239 /nfs/dbraw/zinc/61/82/39/819618239.db2.gz QXSCVZPPGZTIRI-BETUJISGSA-N 1 0 271.360 3.155 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2CCC[C@@H](O)[C@H](C)C2)c(O)c1 ZINC001237044413 819650870 /nfs/dbraw/zinc/65/08/70/819650870.db2.gz CSGMBDXZFOBRSB-CZUORRHYSA-N 1 0 277.408 3.108 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2CCC[C@@H]2CF)c(O)c1 ZINC001237051160 819652343 /nfs/dbraw/zinc/65/23/43/819652343.db2.gz HYJSTZQHHMJDTE-CQSZACIVSA-N 1 0 251.345 3.450 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2CC[C@@H]3OCC[C@H]3C2)c(O)c1 ZINC001237056005 819654297 /nfs/dbraw/zinc/65/42/97/819654297.db2.gz UKSUGJHQFQCSMW-RDJZCZTQSA-N 1 0 275.392 3.126 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2CC[C@H]3OCC[C@@H]3C2)c(O)c1 ZINC001237056004 819655557 /nfs/dbraw/zinc/65/55/57/819655557.db2.gz UKSUGJHQFQCSMW-NVXWUHKLSA-N 1 0 275.392 3.126 20 10 CGCDRO COc1ccc2c(c1)C[N@@H+](Cc1c(C)cccc1O)CC2 ZINC001237484345 819762830 /nfs/dbraw/zinc/76/28/30/819762830.db2.gz CJBFNUZEWIXQCY-UHFFFAOYSA-N 1 0 283.371 3.268 20 10 CGCDRO COc1cc(C[NH+]2C3CCCC2CCC3)c(O)c(OC)c1 ZINC001237677452 819803937 /nfs/dbraw/zinc/80/39/37/819803937.db2.gz BSGAKTLKJYFEOH-UHFFFAOYSA-N 1 0 291.391 3.316 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2CC[C@H]2C)cc1Br ZINC001237678434 819804431 /nfs/dbraw/zinc/80/44/31/819804431.db2.gz ZADZTSKJLMULMD-SECBINFHSA-N 1 0 270.170 3.057 20 10 CGCDRO COc1cc(C[N@@H+]2CCC[C@H]2C(C)C)c(O)c(OC)c1 ZINC001237680476 819806274 /nfs/dbraw/zinc/80/62/74/819806274.db2.gz KIJJISXVZDJVIJ-AWEZNQCLSA-N 1 0 279.380 3.030 20 10 CGCDRO [O-]c1c(Cl)cc(F)cc1C[N@@H+]1CCC[C@H](CF)C1 ZINC001237798700 819845075 /nfs/dbraw/zinc/84/50/75/819845075.db2.gz LSOZJIMALFYHKV-SECBINFHSA-N 1 0 275.726 3.366 20 10 CGCDRO CO[C@@H]1CC[C@H]([NH2+]Cc2c(O)cc(C)cc2Cl)C1 ZINC001345153698 936804203 /nfs/dbraw/zinc/80/42/03/936804203.db2.gz DQNCKUFMIMWRLG-WDEREUQCSA-N 1 0 269.772 3.011 20 10 CGCDRO c1cc(N2CCCC2)ccc1C[NH2+]CCOCC1CCC1 ZINC001345920351 936829697 /nfs/dbraw/zinc/82/96/97/936829697.db2.gz SPWRRUHYWGXRHL-UHFFFAOYSA-N 1 0 288.435 3.193 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCC[C@H](F)C1)c1cc(F)ccc1O ZINC001349313094 936945909 /nfs/dbraw/zinc/94/59/09/936945909.db2.gz CSOCVYVSIBNJAP-NHCYSSNCSA-N 1 0 255.308 3.463 20 10 CGCDRO C[C@H]([NH2+]Cc1c[nH]nc1C(C)(C)C)c1ccccc1O ZINC001349633149 936954773 /nfs/dbraw/zinc/95/47/73/936954773.db2.gz NUQLMRBLCJHCBZ-NSHDSACASA-N 1 0 273.380 3.264 20 10 CGCDRO Oc1cccc2c1C[N@H+](Cc1cccn1C1CC1)C2 ZINC001349632744 936954817 /nfs/dbraw/zinc/95/48/17/936954817.db2.gz KTYDDRXDORSRCC-UHFFFAOYSA-N 1 0 254.333 3.044 20 10 CGCDRO CCO[C@H]1C[C@H]([NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3C)C1 ZINC001350154561 936981247 /nfs/dbraw/zinc/98/12/47/936981247.db2.gz LNSQXXBTDINUBG-SYQHCUMBSA-N 1 0 275.392 3.406 20 10 CGCDRO CC(=O)c1cc(F)cc(C[N@@H+]2C[C@@H]3CCCC[C@@]32C)c1O ZINC001351496351 937018568 /nfs/dbraw/zinc/01/85/68/937018568.db2.gz SRYVJSPUTHQGIA-GUYCJALGSA-N 1 0 291.366 3.498 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H](F)C2)cc1C ZINC001345932918 926697034 /nfs/dbraw/zinc/69/70/34/926697034.db2.gz ZXUBVSAYLTWUGL-UONOGXRCSA-N 1 0 251.345 3.374 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CCc1ccccn1 ZINC000019916848 928046565 /nfs/dbraw/zinc/04/65/65/928046565.db2.gz GDOPFWGEONWLCM-HIFRSBDPSA-N 1 0 282.387 3.476 20 10 CGCDRO CCC[C@H](C[N@H+](CC)Cc1ccc(N(C)C)cc1)OC ZINC001560724683 937236818 /nfs/dbraw/zinc/23/68/18/937236818.db2.gz RIJCRXBICOGIHP-QGZVFWFLSA-N 1 0 278.440 3.390 20 10 CGCDRO C[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1cc(F)ccc1O ZINC000827031228 928781478 /nfs/dbraw/zinc/78/14/78/928781478.db2.gz SMIACORLSZJOTG-MEDUHNTESA-N 1 0 271.335 3.349 20 10 CGCDRO Oc1ccc(CCC[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC001461190615 937568710 /nfs/dbraw/zinc/56/87/10/937568710.db2.gz RITKYZJWIHFKTD-UHFFFAOYSA-N 1 0 297.398 3.440 20 10 CGCDRO Cc1c2ccccc2n(C)c1C[NH2+]CC(O)(C1CC1)C1CC1 ZINC001461632680 937589268 /nfs/dbraw/zinc/58/92/68/937589268.db2.gz WTGVHYFWUZANHS-UHFFFAOYSA-N 1 0 298.430 3.127 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@H](CCC)CCO)cc1C ZINC001461694913 937592844 /nfs/dbraw/zinc/59/28/44/937592844.db2.gz NVSGVPSJJGGIPA-MRXNPFEDSA-N 1 0 279.424 3.425 20 10 CGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CCO[C@@H](C)[C@@H]2C)c1 ZINC001461960011 937609485 /nfs/dbraw/zinc/60/94/85/937609485.db2.gz LYIJTYDPVMULHW-STQMWFEESA-N 1 0 263.381 3.125 20 10 CGCDRO CCC[C@]1([NH2+]Cc2ccc(Cl)cc2O)CCOC1 ZINC001462222382 937626093 /nfs/dbraw/zinc/62/60/93/937626093.db2.gz CWMOJVFFZVFVII-AWEZNQCLSA-N 1 0 269.772 3.094 20 10 CGCDRO CC[C@@H](C)[NH+]1CCN(Cc2cc(Cl)c(C)cc2O)CC1 ZINC001462245825 937627403 /nfs/dbraw/zinc/62/74/03/937627403.db2.gz FIZPPWRNZLCCHI-CYBMUJFWSA-N 1 0 296.842 3.270 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CCCC[C@H]3C)C2)cc1 ZINC001462420000 937640268 /nfs/dbraw/zinc/64/02/68/937640268.db2.gz IKWXCGLGCGUOFM-RVKKMQEKSA-N 1 0 288.435 3.442 20 10 CGCDRO C[C@@H](CN1CCC[C@H](C)C1)[NH2+]Cc1c(O)cccc1Cl ZINC001308221555 933074983 /nfs/dbraw/zinc/07/49/83/933074983.db2.gz CLDPEDDLFPLUJW-STQMWFEESA-N 1 0 296.842 3.256 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]CCCOc1cccc(F)c1 ZINC001462640266 937656114 /nfs/dbraw/zinc/65/61/14/937656114.db2.gz LNCPDNOOTAYUOP-UHFFFAOYSA-N 1 0 293.313 3.229 20 10 CGCDRO C[C@@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)c1nccs1 ZINC001308364818 933101517 /nfs/dbraw/zinc/10/15/17/933101517.db2.gz CIUBQIHTKKRITK-NSHDSACASA-N 1 0 293.411 3.242 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@]2(C)CC=CCC2)cc1F ZINC001308433917 933110021 /nfs/dbraw/zinc/11/00/21/933110021.db2.gz OEZVUPJYCVUUDP-INIZCTEOSA-N 1 0 262.372 3.480 20 10 CGCDRO CO[C@H]1C[C@H]([NH2+]Cc2c(O)cc(C)cc2Cl)C12CCC2 ZINC001308431682 933110774 /nfs/dbraw/zinc/11/07/74/933110774.db2.gz SNWFINBLOIQELG-GJZGRUSLSA-N 1 0 295.810 3.401 20 10 CGCDRO CC[C@@H]1C[N@H+](C/C=C/c2ccc(N(C)C)cc2)[C@H](C)CO1 ZINC001308848297 933189318 /nfs/dbraw/zinc/18/93/18/933189318.db2.gz KZELVXRUAPKCRN-YOBDTOFLSA-N 1 0 288.435 3.265 20 10 CGCDRO Cc1ccc(C[NH+]2CC(C)(c3ccccc3)C2)c(O)c1 ZINC001308873778 933194853 /nfs/dbraw/zinc/19/48/53/933194853.db2.gz NYYQLPSLFOJMGH-UHFFFAOYSA-N 1 0 267.372 3.474 20 10 CGCDRO C[C@@]12CSC[C@@H]1C[N@H+](Cc1ccc(Cl)cc1O)C2 ZINC001308969241 933216146 /nfs/dbraw/zinc/21/61/46/933216146.db2.gz ONWMTBSVSIUHCS-SMDDNHRTSA-N 1 0 283.824 3.231 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2CCCc3nc(C)ncc32)cc1C ZINC001318642812 933756579 /nfs/dbraw/zinc/75/65/79/933756579.db2.gz LNNZIVGMFKATID-INIZCTEOSA-N 1 0 297.402 3.269 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCC[C@@H]2N(C)C)c1 ZINC001321022471 934135713 /nfs/dbraw/zinc/13/57/13/934135713.db2.gz GHLCXPBVQQIMBR-BPUTZDHNSA-N 1 0 276.424 3.224 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@@H](O)c1ccco1 ZINC001323829290 934429834 /nfs/dbraw/zinc/42/98/34/934429834.db2.gz GXMKRLGZWXWZBH-MBNYWOFBSA-N 1 0 287.359 3.165 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@H](O)C23CCCC3)cc1 ZINC001324214302 934472841 /nfs/dbraw/zinc/47/28/41/934472841.db2.gz SXLRRJHJIBOJTQ-KRWDZBQOSA-N 1 0 288.435 3.022 20 10 CGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)CC1(OC)CCC1 ZINC001326048863 934946690 /nfs/dbraw/zinc/94/66/90/934946690.db2.gz SSSWJLPKCYHYEM-UHFFFAOYSA-N 1 0 276.424 3.144 20 10 CGCDRO CCOC1CC([N@H+](C)Cc2ccc(N3CCCC3)cc2)C1 ZINC001327421391 935057527 /nfs/dbraw/zinc/05/75/27/935057527.db2.gz IWKUKZNRUKJIJT-UHFFFAOYSA-N 1 0 288.435 3.286 20 10 CGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]Cc1ccc[nH]c1=O ZINC001328718446 935163001 /nfs/dbraw/zinc/16/30/01/935163001.db2.gz KTRFSQZARFILNO-WCQYABFASA-N 1 0 284.359 3.139 20 10 CGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@H](OCC)C1CC1 ZINC001328835278 935172670 /nfs/dbraw/zinc/17/26/70/935172670.db2.gz VTVQSEWVWDPIHC-KRWDZBQOSA-N 1 0 277.408 3.419 20 10 CGCDRO Cc1ccc(CC[NH2+]Cc2cc(Cl)c(C)cc2O)nc1 ZINC001330808031 935324260 /nfs/dbraw/zinc/32/42/60/935324260.db2.gz HMVUVBHNKMTFPD-UHFFFAOYSA-N 1 0 290.794 3.390 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H](CN)CC(C)C ZINC001331837138 935413504 /nfs/dbraw/zinc/41/35/04/935413504.db2.gz ZPIKSSGMBCWJAN-MCIONIFRSA-N 1 0 276.424 3.212 20 10 CGCDRO C[C@@H]1[N@H+](Cc2ccc(N3CCCC3)cc2)CCOC1(C)C ZINC001337041742 936233526 /nfs/dbraw/zinc/23/35/26/936233526.db2.gz BMPPOYPCFOWCTP-HNNXBMFYSA-N 1 0 288.435 3.286 20 10 CGCDRO Cc1cc(C)[nH+]c(NCc2cc(F)cc(F)c2O)c1 ZINC001474077542 937839013 /nfs/dbraw/zinc/83/90/13/937839013.db2.gz CKHXMIODLGYFLH-UHFFFAOYSA-N 1 0 264.275 3.294 20 10 CGCDRO CC[C@H]([NH2+]Cc1cc(C(C)C)ccc1O)[C@@H](O)C(F)F ZINC001474553711 937866770 /nfs/dbraw/zinc/86/67/70/937866770.db2.gz UNEKUNBVNKHBHQ-GXTWGEPZSA-N 1 0 287.350 3.010 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCSC[C@H]2C2CCC2)c(O)c1 ZINC001474588480 937868678 /nfs/dbraw/zinc/86/86/78/937868678.db2.gz LZHMMICXWGYAIS-HNNXBMFYSA-N 1 0 277.433 3.418 20 10 CGCDRO CCC[C@H](C)CC[NH2+]Cc1cc(OC)ccc1O ZINC001474687288 937875313 /nfs/dbraw/zinc/87/53/13/937875313.db2.gz DTODDPINDYMLFO-LBPRGKRZSA-N 1 0 251.370 3.317 20 10 CGCDRO CC(C)(C[NH2+]Cc1ccc2c(c1)CCCO2)OCC1CC1 ZINC001560507136 938261087 /nfs/dbraw/zinc/26/10/87/938261087.db2.gz DFYBVTUPFIATTQ-UHFFFAOYSA-N 1 0 289.419 3.306 20 10 CGCDRO COc1ccc(N2CC[C@@H]([NH2+]CC3CCCCC3)C2)cc1 ZINC001560528827 938261722 /nfs/dbraw/zinc/26/17/22/938261722.db2.gz GVHTVKKPCFFWDJ-MRXNPFEDSA-N 1 0 288.435 3.444 20 10 CGCDRO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001560590325 938264310 /nfs/dbraw/zinc/26/43/10/938264310.db2.gz SCPIRRDEODLFGC-MHDGFBEUSA-N 1 0 294.389 3.413 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c(O)c1 ZINC001560697492 938270851 /nfs/dbraw/zinc/27/08/51/938270851.db2.gz BNTWRBBTVRSENB-UHFFFAOYSA-N 1 0 298.342 3.167 20 10 CGCDRO CCOC1(C)CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001560856589 938279828 /nfs/dbraw/zinc/27/98/28/938279828.db2.gz OSSJVLXNRBXWJO-UHFFFAOYSA-N 1 0 283.799 3.437 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH+]2CCC([C@H](C)CO)CC2)c1 ZINC001560920657 938283884 /nfs/dbraw/zinc/28/38/84/938283884.db2.gz LCOQIWXDYYETBE-CQSZACIVSA-N 1 0 291.435 3.356 20 10 CGCDRO Cc1cc(O)c(CN2CC[N@@H+](C)C(C)(C)CC2)cc1Cl ZINC001560953617 938285971 /nfs/dbraw/zinc/28/59/71/938285971.db2.gz RORLVNOUVZXWNL-UHFFFAOYSA-N 1 0 296.842 3.270 20 10 CGCDRO CS[C@H]1CCC[C@H]([NH2+]CCc2ccc(N)cc2)C1 ZINC001579369581 962622330 /nfs/dbraw/zinc/62/23/30/962622330.db2.gz GASXYVALSQETFQ-GJZGRUSLSA-N 1 0 264.438 3.075 20 10 CGCDRO Nc1ccc(C[NH2+]Cc2ccc3c(c2)OCCCCO3)cc1 ZINC001580446833 962723971 /nfs/dbraw/zinc/72/39/71/962723971.db2.gz IFOIEKMKAYVDPZ-UHFFFAOYSA-N 1 0 298.386 3.110 20 10 CGCDRO COc1cccc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)c1O ZINC000179951072 346254095 /nfs/dbraw/zinc/25/40/95/346254095.db2.gz BLGLTINAYNWCRK-NSHDSACASA-N 1 0 289.297 3.175 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH+]1CCC(n2ccnc2)CC1 ZINC000092648600 370099136 /nfs/dbraw/zinc/09/91/36/370099136.db2.gz LRHPWJIVFKGLPM-UHFFFAOYSA-N 1 0 291.782 3.079 20 10 CGCDRO COCC[C@H](C)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000112018529 370409505 /nfs/dbraw/zinc/40/95/05/370409505.db2.gz NPBPOKVXOTWXPW-HNNXBMFYSA-N 1 0 276.424 3.192 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)c1 ZINC000156038700 371958074 /nfs/dbraw/zinc/95/80/74/371958074.db2.gz FXFVEVNCMHOBHV-DOMZBBRYSA-N 1 0 261.365 3.165 20 10 CGCDRO COc1cccc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)c1O ZINC000156039075 371958332 /nfs/dbraw/zinc/95/83/32/371958332.db2.gz SJUXMKDJEHMAGN-JSGCOSHPSA-N 1 0 261.365 3.165 20 10 CGCDRO COc1ccc(O)c(C[N@H+](C)CCc2ccccc2)c1 ZINC000156043227 371958400 /nfs/dbraw/zinc/95/84/00/371958400.db2.gz NSGRQJWCFNRHSL-UHFFFAOYSA-N 1 0 271.360 3.075 20 10 CGCDRO CC[C@H]([NH2+]CC[C@H]1CCCCO1)c1ccccc1O ZINC000159573538 372156961 /nfs/dbraw/zinc/15/69/61/372156961.db2.gz ORUTXEWCRBWJFJ-HIFRSBDPSA-N 1 0 263.381 3.392 20 10 CGCDRO CO[C@@](C)(C[NH2+][C@H](C)c1ccc(N(C)C)cc1)C1CC1 ZINC000291388764 372167878 /nfs/dbraw/zinc/16/78/78/372167878.db2.gz ZVSVYUPKOHTNCV-DYVFJYSZSA-N 1 0 276.424 3.218 20 10 CGCDRO Cc1nnsc1C[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000293770325 372476018 /nfs/dbraw/zinc/47/60/18/372476018.db2.gz SOYVXJYHPJVRJF-ZETCQYMHSA-N 1 0 283.784 3.056 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](O)Cc2ccccc2)c(O)c1 ZINC000293792277 372483672 /nfs/dbraw/zinc/48/36/72/372483672.db2.gz QQUKZOCUXOBNDS-NVXWUHKLSA-N 1 0 299.414 3.263 20 10 CGCDRO CC[C@H](O)C[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000293732290 372464857 /nfs/dbraw/zinc/46/48/57/372464857.db2.gz QBTDHQHQMVJPRC-HIFRSBDPSA-N 1 0 294.414 3.238 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC2CC(F)(F)C2)c1 ZINC000293795811 372484499 /nfs/dbraw/zinc/48/44/99/372484499.db2.gz URYJJOSXRAVMMU-SNVBAGLBSA-N 1 0 255.308 3.397 20 10 CGCDRO C[C@@H](CN(C)C)[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000168526423 372613423 /nfs/dbraw/zinc/61/34/23/372613423.db2.gz RVBLOICWSXWWMM-STQMWFEESA-N 1 0 272.392 3.146 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCCSC1)c1cc(F)ccc1O ZINC000168817362 372621036 /nfs/dbraw/zinc/62/10/36/372621036.db2.gz QEGGUCMKOAPCES-MWLCHTKSSA-N 1 0 255.358 3.078 20 10 CGCDRO CO[C@@](C)(C[NH2+][C@@H](C)c1c(C)cc(C)cc1O)C1CC1 ZINC000294314218 372647125 /nfs/dbraw/zinc/64/71/25/372647125.db2.gz OACCKVXFZKDWKR-GUYCJALGSA-N 1 0 277.408 3.475 20 10 CGCDRO COC1CCN(c2ccc(C[N@@H+]3CCC[C@H]3C)cc2)CC1 ZINC000295139434 372694842 /nfs/dbraw/zinc/69/48/42/372694842.db2.gz ZHPBLVGYEOEKQW-OAHLLOKOSA-N 1 0 288.435 3.286 20 10 CGCDRO CCCOc1ncccc1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296192834 373049045 /nfs/dbraw/zinc/04/90/45/373049045.db2.gz YPVWPJVEDDRDIF-OAHLLOKOSA-N 1 0 298.386 3.353 20 10 CGCDRO CC(C)SCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296230717 373059932 /nfs/dbraw/zinc/05/99/32/373059932.db2.gz AIDHEMBZOYDQPE-GFCCVEGCSA-N 1 0 251.395 3.111 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](C)CCCO)c(O)c1 ZINC000296349028 373100481 /nfs/dbraw/zinc/10/04/81/373100481.db2.gz IFXXMXBCRUOEDK-FZMZJTMJSA-N 1 0 265.397 3.068 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)c1cc(Cl)ccc1O)[C@H](O)C(F)F ZINC000296386485 373115781 /nfs/dbraw/zinc/11/57/81/373115781.db2.gz JWSTYOKQIJHBNE-VHRDEZTHSA-N 1 0 293.741 3.101 20 10 CGCDRO CSC1(C[NH2+][C@H]2CCc3cccc(O)c32)CCC1 ZINC000296508124 373157238 /nfs/dbraw/zinc/15/72/38/373157238.db2.gz QLEXUIJUBYJWES-LBPRGKRZSA-N 1 0 263.406 3.255 20 10 CGCDRO C[C@](O)(C[NH2+][C@H]1CCc2cccc(O)c21)C1CCCCC1 ZINC000296539886 373170422 /nfs/dbraw/zinc/17/04/22/373170422.db2.gz SHCHBDXENLHIFH-YJBOKZPZSA-N 1 0 289.419 3.300 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]CC1CCSCC1)CC2 ZINC000297529517 373273970 /nfs/dbraw/zinc/27/39/70/373273970.db2.gz DNCLPVSGIUTMPK-CYBMUJFWSA-N 1 0 263.406 3.112 20 10 CGCDRO COC1(C[NH2+][C@H](C)c2cc(C)ccc2O)CCCC1 ZINC000297227219 373260318 /nfs/dbraw/zinc/26/03/18/373260318.db2.gz HNUQFPGZPBHOOR-CYBMUJFWSA-N 1 0 263.381 3.310 20 10 CGCDRO CCc1ccc([C@H](O)C[NH2+][C@@H]2CCc3cccc(O)c32)cc1 ZINC000297298312 373266442 /nfs/dbraw/zinc/26/64/42/373266442.db2.gz MEYJTQDTKPDJPI-SJLPKXTDSA-N 1 0 297.398 3.265 20 10 CGCDRO Cc1cc(Cl)cc(C[N@H+](C[C@@H]2CCOC2)C2CC2)c1O ZINC000179678765 373903950 /nfs/dbraw/zinc/90/39/50/373903950.db2.gz JGZVFJJDJBRCQP-LBPRGKRZSA-N 1 0 295.810 3.355 20 10 CGCDRO C[N@H+](CCc1cccs1)Cc1cc(F)ccc1O ZINC000180204840 373976899 /nfs/dbraw/zinc/97/68/99/373976899.db2.gz IDRWXVZWSANQBN-UHFFFAOYSA-N 1 0 265.353 3.267 20 10 CGCDRO C[C@@H]([NH2+]CC[C@@H]1CCCCO1)c1ccc(N(C)C)cc1 ZINC000180257029 373984830 /nfs/dbraw/zinc/98/48/30/373984830.db2.gz TWOGJEFUIGOKLM-PBHICJAKSA-N 1 0 276.424 3.362 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC[C@@H]2CCCCO2)c1 ZINC000182895376 374338981 /nfs/dbraw/zinc/33/89/81/374338981.db2.gz BGZSGTUFTOIVIJ-OLZOCXBDSA-N 1 0 279.380 3.011 20 10 CGCDRO C[C@@H]([NH2+][C@H]1COc2ccccc2C1)c1ccccc1O ZINC000183466870 374417914 /nfs/dbraw/zinc/41/79/14/374417914.db2.gz YUMQYRYHQUGYPS-TZMCWYRMSA-N 1 0 269.344 3.047 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](CO)c2ccccc2)c1 ZINC000185652150 374706062 /nfs/dbraw/zinc/70/60/62/374706062.db2.gz MCBIMORQLISYHH-GDBMZVCRSA-N 1 0 285.387 3.127 20 10 CGCDRO COc1cccc(C[NH2+]CC(C)(C)C(C)C)c1O ZINC000189469260 375392955 /nfs/dbraw/zinc/39/29/55/375392955.db2.gz IJBHFNNKKNJASP-UHFFFAOYSA-N 1 0 251.370 3.173 20 10 CGCDRO CO[C@@H](C)[C@H](C)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000191644348 375648034 /nfs/dbraw/zinc/64/80/34/375648034.db2.gz DWTGPLRIPKOTSY-AVGNSLFASA-N 1 0 277.408 3.345 20 10 CGCDRO CN(Cc1cccc2c1CC[NH2+]C2)c1ccc(F)cc1 ZINC000123954714 542030380 /nfs/dbraw/zinc/03/03/80/542030380.db2.gz NPMJFKWIDJGDCH-UHFFFAOYSA-N 1 0 270.351 3.108 20 10 CGCDRO CCc1ccc(C[NH2+]Cc2cc(OC)ccc2O)s1 ZINC000226962125 376376807 /nfs/dbraw/zinc/37/68/07/376376807.db2.gz DUYUQAVPFYHERM-UHFFFAOYSA-N 1 0 277.389 3.315 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)[C@@H](O)c2cccc(F)c2)c1 ZINC000267236968 378034486 /nfs/dbraw/zinc/03/44/86/378034486.db2.gz WUECBOVGBOVRGG-YVEFUNNKSA-N 1 0 289.350 3.051 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](C)Cn2ccnc2)cc1 ZINC000268838713 378127724 /nfs/dbraw/zinc/12/77/24/378127724.db2.gz TWRZDVWWWKSGBW-GJZGRUSLSA-N 1 0 286.423 3.079 20 10 CGCDRO CC(C)(C)[C@H]1C[C@H]([NH2+]Cc2ccccc2O)CCO1 ZINC000270649402 378381340 /nfs/dbraw/zinc/38/13/40/378381340.db2.gz LMEHVCSDFFPJLZ-UKRRQHHQSA-N 1 0 263.381 3.076 20 10 CGCDRO Cc1ccncc1[C@@H](C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000271459865 378494169 /nfs/dbraw/zinc/49/41/69/378494169.db2.gz JSHKOJFROIPFQP-CYBMUJFWSA-N 1 0 287.382 3.446 20 10 CGCDRO CCCOc1ccc(C[NH2+]C[C@H]2CCO[C@H](C)C2)c(O)c1 ZINC000271581645 378498904 /nfs/dbraw/zinc/49/89/04/378498904.db2.gz YLNIDRLZYQMNPN-KGLIPLIRSA-N 1 0 293.407 3.086 20 10 CGCDRO CC[C@@H]([NH2+]CCC[C@H](C)CO)c1ccc(N(C)C)cc1 ZINC000271595020 378499328 /nfs/dbraw/zinc/49/93/28/378499328.db2.gz YUWGIOZMIVTPDL-WMLDXEAASA-N 1 0 278.440 3.202 20 10 CGCDRO Cc1noc(C)c1C[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000273301187 378740414 /nfs/dbraw/zinc/74/04/14/378740414.db2.gz BNTYHHFOWCZYSK-LLVKDONJSA-N 1 0 274.364 3.465 20 10 CGCDRO C[C@H](Cn1ccnc1)[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000273432147 378745734 /nfs/dbraw/zinc/74/57/34/378745734.db2.gz VVKWSVXSKRGGOC-KGLIPLIRSA-N 1 0 295.386 3.481 20 10 CGCDRO Cc1cc(Cl)cc(C[N@H+](C)Cc2ccccn2)c1O ZINC000273428883 378746678 /nfs/dbraw/zinc/74/66/78/378746678.db2.gz SNOLUMRPEXAZAR-UHFFFAOYSA-N 1 0 276.767 3.381 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)c1cn[nH]c1 ZINC000273477904 378750255 /nfs/dbraw/zinc/75/02/55/378750255.db2.gz LIRHMUUALYRKIK-NEPJUHHUSA-N 1 0 285.391 3.406 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1cc(F)ccc1O ZINC000273519120 378750294 /nfs/dbraw/zinc/75/02/94/378750294.db2.gz TUBLVGJJNRTQAT-AAEUAGOBSA-N 1 0 279.355 3.284 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](CO)c2ccccc2)c(O)c1C ZINC000273570609 378753603 /nfs/dbraw/zinc/75/36/03/378753603.db2.gz KNAGGRLDEJGHNS-DOTOQJQBSA-N 1 0 299.414 3.436 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@H]1C)c1cc(Cl)ccc1O ZINC000273575765 378754424 /nfs/dbraw/zinc/75/44/24/378754424.db2.gz LVQODASZQQKXHF-JRPNMDOOSA-N 1 0 294.826 3.179 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCc2nccs2)c(O)c1C ZINC000273601746 378756072 /nfs/dbraw/zinc/75/60/72/378756072.db2.gz SBINBHZYSUDCBX-LBPRGKRZSA-N 1 0 276.405 3.359 20 10 CGCDRO COc1cc(Cl)cc(C[NH+]2CCC(C)(OC)CC2)c1O ZINC000273809489 378760443 /nfs/dbraw/zinc/76/04/43/378760443.db2.gz YRCCBHAAJIGVMC-UHFFFAOYSA-N 1 0 299.798 3.055 20 10 CGCDRO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1cc(C)c(C)cc1O ZINC000371957282 379182619 /nfs/dbraw/zinc/18/26/19/379182619.db2.gz QKLQVWMKRYQQGK-QGZVFWFLSA-N 1 0 299.418 3.388 20 10 CGCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCCC23CCC3)c1O ZINC000373104321 379224339 /nfs/dbraw/zinc/22/43/39/379224339.db2.gz NPBVWIPFSKKLST-UHFFFAOYSA-N 1 0 277.339 3.252 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCOc3c(F)cccc32)c1 ZINC000375345709 379493406 /nfs/dbraw/zinc/49/34/06/379493406.db2.gz QTGMBZLNPXGPHI-OAHLLOKOSA-N 1 0 287.334 3.453 20 10 CGCDRO Oc1ccc2ccccc2c1C[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000376081369 379521642 /nfs/dbraw/zinc/52/16/42/379521642.db2.gz JUWOSDJRHUPRBD-SFHVURJKSA-N 1 0 283.371 3.156 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CC[S@](=O)C(C)(C)C)c(O)c1 ZINC000284252855 380136993 /nfs/dbraw/zinc/13/69/93/380136993.db2.gz VUBZAEXDZZLIKT-XCLFUZPHSA-N 1 0 297.464 3.207 20 10 CGCDRO CCN(CC)CC[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000284206037 380137454 /nfs/dbraw/zinc/13/74/54/380137454.db2.gz SKHNZSLGVBFJQG-CQSZACIVSA-N 1 0 264.413 3.001 20 10 CGCDRO Cc1cc(C[NH2+][C@@H](C)c2ccc3ccccc3c2O)n(C)n1 ZINC000284565284 380140674 /nfs/dbraw/zinc/14/06/74/380140674.db2.gz YNBSBIUFIHDNFC-ZDUSSCGKSA-N 1 0 295.386 3.438 20 10 CGCDRO Oc1cccc(Cl)c1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000285331890 380147652 /nfs/dbraw/zinc/14/76/52/380147652.db2.gz XNKOQCLWPNQCFX-HIFRSBDPSA-N 1 0 281.783 3.189 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CCSC2)c(O)c1 ZINC000285402692 380148443 /nfs/dbraw/zinc/14/84/43/380148443.db2.gz XHAQRRGFUIHBSJ-CHWSQXEVSA-N 1 0 265.422 3.413 20 10 CGCDRO Cc1ccnc([C@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)c1 ZINC000286023410 380159049 /nfs/dbraw/zinc/15/90/49/380159049.db2.gz JWQWMAQPXBFAGQ-ZDUSSCGKSA-N 1 0 287.382 3.446 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCc2nc[nH]c2C1)c1ccc(N(C)C)cc1 ZINC000368100866 382365412 /nfs/dbraw/zinc/36/54/12/382365412.db2.gz IPQMAJPTTNWQGY-HOCLYGCPSA-N 1 0 298.434 3.074 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CC[C@@H]2CCCCO2)c(O)c1 ZINC000186515745 262316040 /nfs/dbraw/zinc/31/60/40/262316040.db2.gz FFGDXKCJEUTMGW-KBPBESRZSA-N 1 0 263.381 3.310 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]CC1CCSCC1)CC2 ZINC000297529521 285396741 /nfs/dbraw/zinc/39/67/41/285396741.db2.gz DNCLPVSGIUTMPK-ZDUSSCGKSA-N 1 0 263.406 3.112 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1CSCCS1)c1ccc(N(C)C)cc1 ZINC000132535782 392460687 /nfs/dbraw/zinc/46/06/87/392460687.db2.gz DOVZUPMFMYPYFG-WFASDCNBSA-N 1 0 296.505 3.252 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)[C@H]2CCOC2)cc1 ZINC000135209247 392474380 /nfs/dbraw/zinc/47/43/80/392474380.db2.gz ZXVVVPAMLGTYNJ-ZBFHGGJFSA-N 1 0 276.424 3.047 20 10 CGCDRO COC(C)(C)C[C@H](C)[NH2+]Cc1cc(C)c(C)cc1O ZINC000174556234 392643538 /nfs/dbraw/zinc/64/35/38/392643538.db2.gz YPGTVBGOAPDQDC-ZDUSSCGKSA-N 1 0 265.397 3.302 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H](C)C[NH+](C)C)c1cccc(Cl)c1[O-] ZINC000293630295 286909391 /nfs/dbraw/zinc/90/93/91/286909391.db2.gz KERSTGWBAOIVBC-BXUZGUMPSA-N 1 0 284.831 3.284 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]C(C1CC1)C1CC1 ZINC000020131109 171019933 /nfs/dbraw/zinc/01/99/33/171019933.db2.gz NLBXRTGEMFDGOA-UHFFFAOYSA-N 1 0 251.757 3.324 20 10 CGCDRO CC[C@@H]([NH2+]CCCOC(C)C)c1ccccc1O ZINC000020198161 171062102 /nfs/dbraw/zinc/06/21/02/171062102.db2.gz HDCJTRDZBCTGQT-CQSZACIVSA-N 1 0 251.370 3.248 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](CC(C)C)N(C)C)c1 ZINC000035628952 172308077 /nfs/dbraw/zinc/30/80/77/172308077.db2.gz XSDLGLHHZRZPBL-LSDHHAIUSA-N 1 0 278.440 3.328 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2nc(C)cs2)c1 ZINC000038090671 174104020 /nfs/dbraw/zinc/10/40/20/174104020.db2.gz MSJIWOIXLCZQIJ-SNVBAGLBSA-N 1 0 278.377 3.017 20 10 CGCDRO C[C@@H]([NH2+]C1CCN(C2CC2)CC1)c1ccc(N(C)C)cc1 ZINC000037318591 260086468 /nfs/dbraw/zinc/08/64/68/260086468.db2.gz CDRFFTKTZMGEKD-CQSZACIVSA-N 1 0 287.451 3.030 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](C)CCOC)cc1 ZINC000152713016 261068442 /nfs/dbraw/zinc/06/84/42/261068442.db2.gz RULBVCIQKXVCQF-KBPBESRZSA-N 1 0 264.413 3.218 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCCC[C@@H]1OC)c1ccccc1O ZINC000156057972 261113360 /nfs/dbraw/zinc/11/33/60/261113360.db2.gz NBLYQJJSUAIGST-DZKIICNBSA-N 1 0 263.381 3.391 20 10 CGCDRO CC[N@H+](Cc1c(C)n[nH]c1C)Cc1ccc(N(C)C)cc1 ZINC000156836537 261133168 /nfs/dbraw/zinc/13/31/68/261133168.db2.gz HMJCXQIJLJFRNK-UHFFFAOYSA-N 1 0 286.423 3.115 20 10 CGCDRO CC[C@@H]([NH2+][C@H]1CCO[C@H](C2CC2)C1)c1ccccc1O ZINC000158130512 261159122 /nfs/dbraw/zinc/15/91/22/261159122.db2.gz BZQDUGISPBIISC-LXZKKBNFSA-N 1 0 275.392 3.391 20 10 CGCDRO CC[C@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000159801569 261194274 /nfs/dbraw/zinc/19/42/74/261194274.db2.gz IQWLGUFTMFBHAX-LBPRGKRZSA-N 1 0 279.380 3.031 20 10 CGCDRO CC[C@H](CSC)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000168864698 261423276 /nfs/dbraw/zinc/42/32/76/261423276.db2.gz STAWEJQPQKZGGD-GXSJLCMTSA-N 1 0 257.374 3.324 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C2CCC3(CC2)OCCO3)c1 ZINC000185052245 262039030 /nfs/dbraw/zinc/03/90/30/262039030.db2.gz VQLJQXVSBVYICH-CYBMUJFWSA-N 1 0 291.391 3.037 20 10 CGCDRO C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(F)cc1[O-] ZINC000185074855 262040521 /nfs/dbraw/zinc/04/05/21/262040521.db2.gz QUFZQFZKOGRQOF-LBPRGKRZSA-N 1 0 292.398 3.056 20 10 CGCDRO Cc1ccc([C@H](O)C[NH2+][C@@H](C)c2ccc(C)cc2O)cc1 ZINC000185099093 262041152 /nfs/dbraw/zinc/04/11/52/262041152.db2.gz INPPXXZOCGFBFM-KBXCAEBGSA-N 1 0 285.387 3.393 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2c3ccccc3C[C@@H]2O)c(O)c1 ZINC000185122456 262042446 /nfs/dbraw/zinc/04/24/46/262042446.db2.gz XFNGLDYPSRORKO-UYHISHBKSA-N 1 0 283.371 3.010 20 10 CGCDRO C[C@@H]([NH2+]C[C@H](O)c1cccc(F)c1)c1cc(F)ccc1O ZINC000185163198 262044358 /nfs/dbraw/zinc/04/43/58/262044358.db2.gz VYLATNLNABNIGC-HWPZZCPQSA-N 1 0 293.313 3.055 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)C2CCCCC2)c1 ZINC000185327804 262050770 /nfs/dbraw/zinc/05/07/70/262050770.db2.gz SJVTUBDKMCOHCK-GUYCJALGSA-N 1 0 277.408 3.292 20 10 CGCDRO Cc1nn(C)cc1[C@@H](C)[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000185348291 262051458 /nfs/dbraw/zinc/05/14/58/262051458.db2.gz SQTPUBXSOCPOES-NXEZZACHSA-N 1 0 293.798 3.499 20 10 CGCDRO C[C@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1cc(F)ccc1O ZINC000185529787 262059080 /nfs/dbraw/zinc/05/90/80/262059080.db2.gz QWRXMQDSOIWDAQ-ZUZCIYMTSA-N 1 0 295.379 3.151 20 10 CGCDRO CO[C@@H](C[NH2+][C@@H](C)c1cc(C)ccc1O)C(C)(C)C ZINC000185617511 262062360 /nfs/dbraw/zinc/06/23/60/262062360.db2.gz XALRBNFRKRUQFE-WFASDCNBSA-N 1 0 265.397 3.412 20 10 CGCDRO Cc1cccc([C@H](O)C[NH2+][C@@H](C)c2ccc(C)cc2O)c1 ZINC000186124845 262080945 /nfs/dbraw/zinc/08/09/45/262080945.db2.gz XFMWPXDQWRDTIV-KBXCAEBGSA-N 1 0 285.387 3.393 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCCc2ccccn2)c1 ZINC000186140619 262081349 /nfs/dbraw/zinc/08/13/49/262081349.db2.gz SCLMADRFAXPMCO-AWEZNQCLSA-N 1 0 270.376 3.379 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)CC(C)(C)C)c(O)c1 ZINC000185482413 262304563 /nfs/dbraw/zinc/30/45/63/262304563.db2.gz RXLZYTHEAKQNQC-STQMWFEESA-N 1 0 265.397 3.148 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)cc1F ZINC000284957758 263088609 /nfs/dbraw/zinc/08/86/09/263088609.db2.gz HUEILDGFIGWQGJ-IRXDYDNUSA-N 1 0 292.398 3.035 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2CC[C@@H](N3CCCC3)[C@H]2C)cc1C ZINC000288135280 263103587 /nfs/dbraw/zinc/10/35/87/263103587.db2.gz ABQFQFFCYGATTE-NVXWUHKLSA-N 1 0 288.435 3.068 20 10 CGCDRO CCOC[C@H]([NH2+][C@@H](C)c1ccc(C)cc1O)C(C)C ZINC000189347327 264292041 /nfs/dbraw/zinc/29/20/41/264292041.db2.gz HRVABCFDMHWUOR-ZFWWWQNUSA-N 1 0 265.397 3.412 20 10 CGCDRO CCOC[C@@H]([NH2+][C@H](C)c1cc(F)ccc1O)C(C)C ZINC000189351640 264292968 /nfs/dbraw/zinc/29/29/68/264292968.db2.gz MICAZRNDSMPYEE-BXUZGUMPSA-N 1 0 269.360 3.243 20 10 CGCDRO CCOC[C@@H]([NH2+][C@@H](C)c1cc(C)ccc1O)C(C)C ZINC000189357033 264293010 /nfs/dbraw/zinc/29/30/10/264293010.db2.gz HFZHYQDIZFHTDM-DZGCQCFKSA-N 1 0 265.397 3.412 20 10 CGCDRO COc1cccc(C[N@@H+]2CC(C)(C)[C@@H]2c2ccncc2)c1O ZINC000294094215 265006927 /nfs/dbraw/zinc/00/69/27/265006927.db2.gz ZTAFHIOSXNLIDI-KRWDZBQOSA-N 1 0 298.386 3.379 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c1O ZINC000367689371 267110012 /nfs/dbraw/zinc/11/00/12/267110012.db2.gz UXCXDEFYVJWUJM-HZPDHXFCSA-N 1 0 289.419 3.339 20 10 CGCDRO COCC[C@@H]1CCCC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000368675259 267197289 /nfs/dbraw/zinc/19/72/89/267197289.db2.gz MSYQEWSSEYQSNI-AWEZNQCLSA-N 1 0 293.407 3.039 20 10 CGCDRO C[C@@H]([NH2+]CC(C)(C)c1ccccn1)c1ccccc1O ZINC000297275640 278339916 /nfs/dbraw/zinc/33/99/16/278339916.db2.gz KZEHABGCQOOIOI-CYBMUJFWSA-N 1 0 270.376 3.416 20 10 CGCDRO CC[C@H]([NH2+]CC1([C@H](O)C(C)C)CC1)c1ccccc1O ZINC000274734158 288038073 /nfs/dbraw/zinc/03/80/73/288038073.db2.gz CPSFHSXZNIEOQB-GOEBONIOSA-N 1 0 277.408 3.230 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)CC[NH+](C)C)c1cccc(Cl)c1[O-] ZINC000287617023 288076904 /nfs/dbraw/zinc/07/69/04/288076904.db2.gz JQOCWWBOVUARAG-RISCZKNCSA-N 1 0 284.831 3.427 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(C)nc2)c(O)c1 ZINC000062050675 301786490 /nfs/dbraw/zinc/78/64/90/301786490.db2.gz YXFNGNBEANITOX-ZDUSSCGKSA-N 1 0 256.349 3.255 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CC(C)(C)OC2(C)C)c1 ZINC000180368810 327805221 /nfs/dbraw/zinc/80/52/21/327805221.db2.gz AWTQJVOLCVIURG-HNNXBMFYSA-N 1 0 293.407 3.227 20 10 CGCDRO C[C@H](COCC(F)(F)F)[NH2+][C@@H](C)c1ccccc1O ZINC000272854987 328200980 /nfs/dbraw/zinc/20/09/80/328200980.db2.gz LRNXAMZAVFNPLW-ZJUUUORDSA-N 1 0 277.286 3.010 20 10 CGCDRO CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000276889188 328219811 /nfs/dbraw/zinc/21/98/11/328219811.db2.gz HFJQKNPAPPWUTF-LLVKDONJSA-N 1 0 286.366 3.051 20 10 CGCDRO CCCOc1ccc(C[NH+]2CCC(COC)CC2)c(O)c1 ZINC000156035561 328221221 /nfs/dbraw/zinc/22/12/21/328221221.db2.gz BYBSAVFPTVXHQD-UHFFFAOYSA-N 1 0 293.407 3.039 20 10 CGCDRO CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000290047167 328257718 /nfs/dbraw/zinc/25/77/18/328257718.db2.gz DWTGPLRIPKOTSY-FRRDWIJNSA-N 1 0 277.408 3.345 20 10 CGCDRO CC[C@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1ccccc1O ZINC000155990761 327603690 /nfs/dbraw/zinc/60/36/90/327603690.db2.gz RYNOKULOAIBPEQ-SDADXPQNSA-N 1 0 275.392 3.246 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)c1O ZINC000180316711 329219512 /nfs/dbraw/zinc/21/95/12/329219512.db2.gz CNTHNFPJOGWXFA-DOMZBBRYSA-N 1 0 295.810 3.355 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)c1 ZINC000527737170 330279125 /nfs/dbraw/zinc/27/91/25/330279125.db2.gz GKWYNGZGIWTNFF-HZSPNIEDSA-N 1 0 275.392 3.317 20 10 CGCDRO Cc1cc(O)c(C[NH2+]Cc2ccc3cn(C)nc3c2)cc1C ZINC000527762928 330281445 /nfs/dbraw/zinc/28/14/45/330281445.db2.gz OWOQPIYWSWLZPZ-UHFFFAOYSA-N 1 0 295.386 3.186 20 10 CGCDRO CCC1(C[NH2+]Cc2ccc(OC)c(C)c2)CCOCC1 ZINC000271842539 334747037 /nfs/dbraw/zinc/74/70/37/334747037.db2.gz RGSXTVUPUZLIHZ-UHFFFAOYSA-N 1 0 277.408 3.300 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCO[C@H](C)C2)c1 ZINC000273545554 334766837 /nfs/dbraw/zinc/76/68/37/334766837.db2.gz ZJCSCMWHRGWXCD-HZSPNIEDSA-N 1 0 263.381 3.166 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]CC2CC(F)(F)C2)c1O ZINC000292836190 522539182 /nfs/dbraw/zinc/53/91/82/522539182.db2.gz RTRVPJZKLPYEFC-UHFFFAOYSA-N 1 0 291.725 3.189 20 10 CGCDRO CCOCc1cc(C[NH2+]CC2CC(F)(F)C2)ccc1OC ZINC000291666313 520186158 /nfs/dbraw/zinc/18/61/58/520186158.db2.gz FUUNIIXMUFXNDN-UHFFFAOYSA-N 1 0 299.361 3.367 20 10 CGCDRO CCC[C@@H](CCO)C[NH2+][C@H](CC)c1ccccc1O ZINC000156138929 520703786 /nfs/dbraw/zinc/70/37/86/520703786.db2.gz FPIYPCRXNBWVEI-DZGCQCFKSA-N 1 0 265.397 3.232 20 10 CGCDRO CCOc1cccc(C[NH2+]Cc2ccccc2C)c1O ZINC000037718870 521369259 /nfs/dbraw/zinc/36/92/59/521369259.db2.gz YARPJMKBVOGGBC-UHFFFAOYSA-N 1 0 271.360 3.389 20 10 CGCDRO CCSCC[C@@H](C)[NH2+]Cc1cc(C)ccc1O ZINC000080530591 521713307 /nfs/dbraw/zinc/71/33/07/521713307.db2.gz HFVQFOLBCYRVOZ-GFCCVEGCSA-N 1 0 253.411 3.322 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCOC[C@H](C3CCC3)C2)cc1 ZINC000292045334 522181996 /nfs/dbraw/zinc/18/19/96/522181996.db2.gz AXSBVHWYDRKEHY-QGZVFWFLSA-N 1 0 288.435 3.001 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]CC(C)(C)C)c1O ZINC000228672293 522541054 /nfs/dbraw/zinc/54/10/54/522541054.db2.gz PAVLELVHKKQQNG-UHFFFAOYSA-N 1 0 257.761 3.190 20 10 CGCDRO CC[C@H]([NH2+]CCCc1cnn(C)c1)c1ccc(C)cc1O ZINC000280254216 522586028 /nfs/dbraw/zinc/58/60/28/522586028.db2.gz WUCCIIFXNCINND-INIZCTEOSA-N 1 0 287.407 3.108 20 10 CGCDRO CC[C@H]([NH2+]CCCc1nc(C)no1)c1ccc(C)cc1O ZINC000279949951 522587447 /nfs/dbraw/zinc/58/74/47/522587447.db2.gz BRSPEAMFAJSKQV-AWEZNQCLSA-N 1 0 289.379 3.066 20 10 CGCDRO COCC(C)(C)CCC[NH2+]Cc1cc(F)ccc1O ZINC000290658098 522807627 /nfs/dbraw/zinc/80/76/27/522807627.db2.gz ZLWCBDPKTARNGL-UHFFFAOYSA-N 1 0 269.360 3.074 20 10 CGCDRO CC[C@@H]([NH2+]CCCCCCO)c1ccc(C)cc1O ZINC000279975715 522826577 /nfs/dbraw/zinc/82/65/77/522826577.db2.gz DGQBCOOXHJQKCH-OAHLLOKOSA-N 1 0 265.397 3.294 20 10 CGCDRO COCC1(CC[NH2+]Cc2cc(C)c(C)cc2O)CCC1 ZINC000293077409 522864134 /nfs/dbraw/zinc/86/41/34/522864134.db2.gz VXGQPOTYYAMPPB-UHFFFAOYSA-N 1 0 277.408 3.305 20 10 CGCDRO CC[C@H](C)C[C@@H](C)[NH2+]Cc1cccc(OC)c1O ZINC000088292934 523897383 /nfs/dbraw/zinc/89/73/83/523897383.db2.gz FWOMTANYTAQHBY-NWDGAFQWSA-N 1 0 251.370 3.315 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H](C)c2c(F)cncc2F)c1O ZINC000289631584 524435396 /nfs/dbraw/zinc/43/53/96/524435396.db2.gz LZBUZBCRZFBRHQ-JTQLQIEISA-N 1 0 278.302 3.225 20 10 CGCDRO COc1ccc(O)c(C[NH2+]CCc2ccccc2C)c1 ZINC000094182662 524751721 /nfs/dbraw/zinc/75/17/21/524751721.db2.gz LUMHHRWZKHCVLO-UHFFFAOYSA-N 1 0 271.360 3.042 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2ccccn2)c1 ZINC000020123492 524772319 /nfs/dbraw/zinc/77/23/19/524772319.db2.gz LLHCDLOJCIZHDC-RYUDHWBXSA-N 1 0 272.348 3.208 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@]2(C)CCCO)c1O ZINC000290326894 524864330 /nfs/dbraw/zinc/86/43/30/524864330.db2.gz DKOMYIBNSUFMEC-INIZCTEOSA-N 1 0 297.826 3.481 20 10 CGCDRO Cc1ccc(O)c(C[NH+]2CCC(c3ccncc3)CC2)c1 ZINC000289934258 525339905 /nfs/dbraw/zinc/33/99/05/525339905.db2.gz WPURYOZEKYUNHU-UHFFFAOYSA-N 1 0 282.387 3.475 20 10 CGCDRO C[C@H]([NH2+]CCc1ccncc1)c1ccc(N(C)C)cc1 ZINC000048261961 525370776 /nfs/dbraw/zinc/37/07/76/525370776.db2.gz IFVLCIZKRPAXNI-AWEZNQCLSA-N 1 0 269.392 3.041 20 10 CGCDRO C[C@@H]([NH2+]CCc1ccncc1)c1ccc(N(C)C)cc1 ZINC000048261963 525465054 /nfs/dbraw/zinc/46/50/54/525465054.db2.gz IFVLCIZKRPAXNI-CQSZACIVSA-N 1 0 269.392 3.041 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCOC[C@H]1C)c1cc2c(cc1O)CCCC2 ZINC000278664485 525572065 /nfs/dbraw/zinc/57/20/65/525572065.db2.gz TVADQMNXQLDBHJ-IIYDPXPESA-N 1 0 289.419 3.347 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H](CCO)c2ccco2)c(O)c1C ZINC000274707874 525746866 /nfs/dbraw/zinc/74/68/66/525746866.db2.gz ZRWCGWUHFMRIRZ-UKRRQHHQSA-N 1 0 289.375 3.376 20 10 CGCDRO C[C@@]1(C[NH2+]Cc2c(O)cccc2Cl)CCCC[C@@H]1O ZINC000748243316 571673185 /nfs/dbraw/zinc/67/31/85/571673185.db2.gz XOYKHFRLTUAILS-GJZGRUSLSA-N 1 0 283.799 3.076 20 10 CGCDRO C[C@@H](COc1ccccc1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000731450155 572412222 /nfs/dbraw/zinc/41/22/22/572412222.db2.gz HWBZNRDXBVKJAB-AWEZNQCLSA-N 1 0 283.371 3.179 20 10 CGCDRO Oc1ccccc1C[N@@H+](Cc1ccco1)C[C@@H]1CCOC1 ZINC000732202553 572451562 /nfs/dbraw/zinc/45/15/62/572451562.db2.gz WGDUJSKAAHBKHE-AWEZNQCLSA-N 1 0 287.359 3.024 20 10 CGCDRO Cc1occc1C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000733325201 572555058 /nfs/dbraw/zinc/55/50/58/572555058.db2.gz DGURNCVZHASIRS-UHFFFAOYSA-N 1 0 262.328 3.083 20 10 CGCDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C12CCC2 ZINC000742374207 572570559 /nfs/dbraw/zinc/57/05/59/572570559.db2.gz QHTSCZCAVQSRKE-SJORKVTESA-N 1 0 287.403 3.059 20 10 CGCDRO COc1ccccc1/C=C/C[NH2+]Cc1cccc(OC)c1O ZINC000733901029 572611611 /nfs/dbraw/zinc/61/16/11/572611611.db2.gz ZTCLDAVIXPRFKX-RMKNXTFCSA-N 1 0 299.370 3.212 20 10 CGCDRO COC[C@@H](C)[NH2+]CCc1cc(C)n(-c2ccccc2)c1C ZINC000743464704 572664756 /nfs/dbraw/zinc/66/47/56/572664756.db2.gz NPZIBJGOULONTL-CQSZACIVSA-N 1 0 286.419 3.261 20 10 CGCDRO CC1(C[N@H+](Cc2ccco2)Cc2ccccc2O)COC1 ZINC000744398134 572749890 /nfs/dbraw/zinc/74/98/90/572749890.db2.gz KQDCVRHGGFILHN-UHFFFAOYSA-N 1 0 287.359 3.024 20 10 CGCDRO CCC(CC)[C@@H](CC[NH2+]Cc1cccc(OC)c1O)OC ZINC000746762726 572895925 /nfs/dbraw/zinc/89/59/25/572895925.db2.gz YPYSGNBYDRKQJR-OAHLLOKOSA-N 1 0 295.423 3.332 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)cc1C ZINC000747831412 572950530 /nfs/dbraw/zinc/95/05/30/572950530.db2.gz MJXJZVIIQHWSHQ-JKSUJKDBSA-N 1 0 289.419 3.258 20 10 CGCDRO CC[C@@H]([NH2+]CCc1ccccn1)c1ccccc1O ZINC000019916778 634377426 /nfs/dbraw/zinc/37/74/26/634377426.db2.gz PHQRNXBENKUGQA-OAHLLOKOSA-N 1 0 256.349 3.071 20 10 CGCDRO Oc1ccccc1C[NH2+]Cc1ccc(Br)cc1 ZINC000042238809 620706917 /nfs/dbraw/zinc/70/69/17/620706917.db2.gz ORVGUCCBNFISOS-UHFFFAOYSA-N 1 0 292.176 3.445 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CCc2ccco2)cc1 ZINC000035121430 617617712 /nfs/dbraw/zinc/61/77/12/617617712.db2.gz YQVQATCOPWIRSD-UHFFFAOYSA-N 1 0 272.392 3.458 20 10 CGCDRO CC[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000806135888 617951101 /nfs/dbraw/zinc/95/11/01/617951101.db2.gz PDLKNUUFGFZKJZ-OCCSQVGLSA-N 1 0 250.361 3.170 20 10 CGCDRO CCC[N@H+](Cc1cn(CC)nc1C)Cc1ccccc1O ZINC000891853542 618341407 /nfs/dbraw/zinc/34/14/07/618341407.db2.gz PYRABPCTFAHTIA-UHFFFAOYSA-N 1 0 287.407 3.329 20 10 CGCDRO CCCC[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000050887235 618693958 /nfs/dbraw/zinc/69/39/58/618693958.db2.gz LRLRBIRDWLDNAW-OAHLLOKOSA-N 1 0 276.424 3.192 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCN(C)c2ccccc2)c(O)c1 ZINC000184952108 625284995 /nfs/dbraw/zinc/28/49/95/625284995.db2.gz NJUSWESTTRNIAR-HNNXBMFYSA-N 1 0 284.403 3.488 20 10 CGCDRO Cc1cccc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000051575263 618757454 /nfs/dbraw/zinc/75/74/54/618757454.db2.gz PHSGMZVTNMHJDC-CQSZACIVSA-N 1 0 269.392 3.307 20 10 CGCDRO COCC1=CC[N@H+](Cc2cc3c(cc2O)CCCC3)CC1 ZINC000185026267 625290845 /nfs/dbraw/zinc/29/08/45/625290845.db2.gz INDVVKOGGBLNQH-UHFFFAOYSA-N 1 0 287.403 3.050 20 10 CGCDRO CO[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2O)[C@H](C)C1 ZINC000310601836 618813656 /nfs/dbraw/zinc/81/36/56/618813656.db2.gz BPYCOEZNGJWADE-ZWNOBZJWSA-N 1 0 269.772 3.045 20 10 CGCDRO CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000892522027 618843451 /nfs/dbraw/zinc/84/34/51/618843451.db2.gz NGOQMSHWGKVPHA-GXTWGEPZSA-N 1 0 293.407 3.468 20 10 CGCDRO CC[C@H]([NH2+]C[C@](C)(O)C(C)C)c1ccc(N(C)C)cc1 ZINC000178118201 618857619 /nfs/dbraw/zinc/85/76/19/618857619.db2.gz JWVCYCSSQHODNR-IRXDYDNUSA-N 1 0 278.440 3.200 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H](C)CCCCO ZINC000840892583 618927736 /nfs/dbraw/zinc/92/77/36/618927736.db2.gz BIRZDYFPOMEKHX-CVEARBPZSA-N 1 0 292.467 3.133 20 10 CGCDRO Cc1cc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)cnc1F ZINC000892737984 618928714 /nfs/dbraw/zinc/92/87/14/618928714.db2.gz QNNWGBVJJVPWJI-UHFFFAOYSA-N 1 0 291.345 3.024 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000840894018 618942529 /nfs/dbraw/zinc/94/25/29/618942529.db2.gz OOLMZXBUYHTNMZ-ZOBUZTSGSA-N 1 0 290.451 3.007 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCC[C@@H](CO)C1)c1ccc(N(C)C)cc1 ZINC000840895639 618964380 /nfs/dbraw/zinc/96/43/80/618964380.db2.gz POXUBUVQEUSJKX-KYJSFNMBSA-N 1 0 290.451 3.344 20 10 CGCDRO COc1ccc(O)c(C[NH2+]Cc2ccc(F)c(Cl)c2)c1 ZINC000053149484 618967858 /nfs/dbraw/zinc/96/78/58/618967858.db2.gz XCGPPFCMMKWWAM-UHFFFAOYSA-N 1 0 295.741 3.483 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CCc3ccc(F)cc3C2)c1 ZINC000180235231 619013913 /nfs/dbraw/zinc/01/39/13/619013913.db2.gz GIWZUGCHVNWPHG-UHFFFAOYSA-N 1 0 287.334 3.098 20 10 CGCDRO CC[C@H]([NH2+]C[C@H]1CCCN1C)c1cc(Cl)ccc1O ZINC000775490671 619074930 /nfs/dbraw/zinc/07/49/30/619074930.db2.gz XCOQVHVLWXIFOW-OCCSQVGLSA-N 1 0 282.815 3.181 20 10 CGCDRO CC1(C)C[N@H+](Cc2ccccc2O)CC2(CCCC2)O1 ZINC000191225638 619107416 /nfs/dbraw/zinc/10/74/16/619107416.db2.gz QBBDIAQERLSOLZ-UHFFFAOYSA-N 1 0 275.392 3.316 20 10 CGCDRO CC[C@H](C)[C@@](C)(O)C[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000776174361 619115180 /nfs/dbraw/zinc/11/51/80/619115180.db2.gz MWLHBYQDDVVSSQ-NHYWBVRUSA-N 1 0 285.815 3.241 20 10 CGCDRO CO[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(C)c2O)C1(C)C ZINC000776230421 619117476 /nfs/dbraw/zinc/11/74/76/619117476.db2.gz HWLWCYLYQFKQGK-QWHCGFSZSA-N 1 0 283.799 3.257 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2COCC2(C)C)cc1 ZINC000313015837 619161723 /nfs/dbraw/zinc/16/17/23/619161723.db2.gz GMEBRVGQHGMGLG-INIZCTEOSA-N 1 0 276.424 3.047 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@H+]1CCCC[C@H]1C[C@H](C)O ZINC000840940601 619232595 /nfs/dbraw/zinc/23/25/95/619232595.db2.gz HPBLLUGLXTYXDF-YJBOKZPZSA-N 1 0 290.451 3.186 20 10 CGCDRO COCC1(CC[NH2+]Cc2ccc(N(C)C)cc2C)CCC1 ZINC000840948221 619250490 /nfs/dbraw/zinc/25/04/90/619250490.db2.gz CMADYIPPNGXOTB-UHFFFAOYSA-N 1 0 290.451 3.357 20 10 CGCDRO CCCC[N@H+](CCCO)Cc1ccc(N(C)C)cc1C ZINC000840949432 619251579 /nfs/dbraw/zinc/25/15/79/619251579.db2.gz XIWRNLFQOXCBAD-UHFFFAOYSA-N 1 0 278.440 3.046 20 10 CGCDRO Cc1c(C[NH2+][C@@H]2CCc3cccc(O)c32)cccc1[N+](=O)[O-] ZINC000319745311 619251955 /nfs/dbraw/zinc/25/19/55/619251955.db2.gz MJVDZVQUNWHHHH-CQSZACIVSA-N 1 0 298.342 3.386 20 10 CGCDRO CCN(C(=O)c1cccc2c1CC[NH2+]C2)c1ccc(C)cc1 ZINC000317826414 619256478 /nfs/dbraw/zinc/25/64/78/619256478.db2.gz IPLYUYYZWNSPEH-UHFFFAOYSA-N 1 0 294.398 3.307 20 10 CGCDRO CCOc1ccc(C[NH2+][C@H](C)[C@@](C)(OC)C2CC2)c(O)c1 ZINC000840960785 619279598 /nfs/dbraw/zinc/27/95/98/619279598.db2.gz MRXJYGBNZPLQGC-SJKOYZFVSA-N 1 0 293.407 3.084 20 10 CGCDRO C[C@]1(C[NH2+]Cc2ccc(N3CCCCC3)cc2)CCCO1 ZINC000094798349 619287982 /nfs/dbraw/zinc/28/79/82/619287982.db2.gz VNWMSJWFQCIVHJ-GOSISDBHSA-N 1 0 288.435 3.336 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H](C)CC2)c(O)c1OC ZINC000893907584 619329346 /nfs/dbraw/zinc/32/93/46/619329346.db2.gz NGTYXWZMBHBDQE-TZMCWYRMSA-N 1 0 293.407 3.468 20 10 CGCDRO Cc1n[nH]c(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)c1C ZINC000893928999 619334877 /nfs/dbraw/zinc/33/48/77/619334877.db2.gz JJNCHZZKXVIHIA-UHFFFAOYSA-N 1 0 298.434 3.257 20 10 CGCDRO COc1ccc(C[N@@H+]2CC3(CCC3)C[C@H]2C)c(O)c1OC ZINC000894039175 619356088 /nfs/dbraw/zinc/35/60/88/619356088.db2.gz RDVBBWBLFNJTTE-GFCCVEGCSA-N 1 0 291.391 3.174 20 10 CGCDRO Cc1ncsc1C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000178864492 619425464 /nfs/dbraw/zinc/42/54/64/619425464.db2.gz MEWIJIRNLKPPBF-UHFFFAOYSA-N 1 0 275.421 3.150 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@H](C)c2cccc(O)c2)c1O ZINC000894242393 619437974 /nfs/dbraw/zinc/43/79/74/619437974.db2.gz YTHYWMPPLXBMKE-GFCCVEGCSA-N 1 0 287.359 3.266 20 10 CGCDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1ccc(OC)c(OC)c1O ZINC000894499015 619553788 /nfs/dbraw/zinc/55/37/88/619553788.db2.gz MWBHDFVXGCRVGU-DGCLKSJQSA-N 1 0 279.380 3.172 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCc3cccnc32)c1 ZINC000894783021 619635156 /nfs/dbraw/zinc/63/51/56/619635156.db2.gz PFDYGELARGFSLD-XHDPSFHLSA-N 1 0 284.359 3.134 20 10 CGCDRO CC(C)CC[C@@](C)(O)C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000185528352 625370661 /nfs/dbraw/zinc/37/06/61/625370661.db2.gz XEHQIUMNDNMPAV-MLGOLLRUSA-N 1 0 283.387 3.369 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCCC(C)(C)CO)c(O)c1 ZINC000185537577 625372228 /nfs/dbraw/zinc/37/22/28/625372228.db2.gz AQZQJHBUGFLNNZ-ZDUSSCGKSA-N 1 0 265.397 3.150 20 10 CGCDRO COc1cc(C)cc(C[NH2+]C(C)(C)[C@H]2CCCCO2)c1O ZINC000895450085 619831975 /nfs/dbraw/zinc/83/19/75/619831975.db2.gz SKRQDJBPIROWFB-OAHLLOKOSA-N 1 0 293.407 3.147 20 10 CGCDRO Cc1cccc(C[NH2+]C[C@@]2(C)OCCc3ccccc32)c1O ZINC000895639857 619862674 /nfs/dbraw/zinc/86/26/74/619862674.db2.gz PHSSUKOZZVNABF-LJQANCHMSA-N 1 0 297.398 3.278 20 10 CGCDRO COc1ccc(C[N@@H+]2Cc3cccc(O)c3C2)c(C)c1 ZINC000895786209 619885581 /nfs/dbraw/zinc/88/55/81/619885581.db2.gz ZXSSRENOSQTIKD-UHFFFAOYSA-N 1 0 269.344 3.225 20 10 CGCDRO COc1ccc(C[NH2+]CCC[C@@H]2C=CCC2)c(O)c1OC ZINC000895930985 619910081 /nfs/dbraw/zinc/91/00/81/619910081.db2.gz TYDHEVLMURYOEX-CYBMUJFWSA-N 1 0 291.391 3.245 20 10 CGCDRO Cc1ccc(CN[C@H]2c3ccccc3OC[C@H]2F)c(O)c1 ZINC000896423733 620006976 /nfs/dbraw/zinc/00/69/76/620006976.db2.gz KWDAPWQXDLCSGX-PBHICJAKSA-N 1 0 287.334 3.262 20 10 CGCDRO OCC[N@H+](Cc1ccccc1)Cc1cc(Cl)ccc1O ZINC000305740556 620204499 /nfs/dbraw/zinc/20/44/99/620204499.db2.gz YODRZPBJMDSUKN-UHFFFAOYSA-N 1 0 291.778 3.040 20 10 CGCDRO C[C@H]([NH2+]Cc1cnc(Cl)cn1)c1ccc(N(C)C)cc1 ZINC000799167058 620292544 /nfs/dbraw/zinc/29/25/44/620292544.db2.gz RLNATOOFIZUSJL-NSHDSACASA-N 1 0 290.798 3.047 20 10 CGCDRO Cc1ccc(C[NH2+]CC(C)(C)C2CCOCC2)c(O)c1 ZINC000897442107 620337175 /nfs/dbraw/zinc/33/71/75/620337175.db2.gz QTBFJBOMJVQYQD-UHFFFAOYSA-N 1 0 277.408 3.243 20 10 CGCDRO COc1ccc(O)c(CNc2ccc([C@@H](C)[NH3+])cc2)c1 ZINC000841029133 620407386 /nfs/dbraw/zinc/40/73/86/620407386.db2.gz TYNKDHZBYYZVRT-LLVKDONJSA-N 1 0 272.348 3.033 20 10 CGCDRO CCc1cccc(C[NH2+]C2CC3(C2)CO[C@@H](C)C3)c1O ZINC000897775776 620427805 /nfs/dbraw/zinc/42/78/05/620427805.db2.gz HQCLPBXXITUARV-VWDMACCTSA-N 1 0 275.392 3.002 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C2CC3(C2)CO[C@H](C)C3)cc1C ZINC000897781320 620430807 /nfs/dbraw/zinc/43/08/07/620430807.db2.gz VEKNPHBPEOUUIY-BZOOQXSSSA-N 1 0 275.392 3.056 20 10 CGCDRO Cc1cccc(C[N@@H+]2CC[C@@H](Cc3nccs3)C2)c1O ZINC000898071431 620477335 /nfs/dbraw/zinc/47/73/35/620477335.db2.gz JZDONFZPYPKPKT-ZDUSSCGKSA-N 1 0 288.416 3.222 20 10 CGCDRO Cc1ncccc1CC[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000898251817 620497542 /nfs/dbraw/zinc/49/75/42/620497542.db2.gz NCCKDYLRSMPWGP-GQCTYLIASA-N 1 0 295.430 3.302 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000898322304 620506244 /nfs/dbraw/zinc/50/62/44/620506244.db2.gz JEGPTYLQMFUKLG-MRXNPFEDSA-N 1 0 272.323 3.167 20 10 CGCDRO COc1cccc(C[NH2+][C@@H](c2ccncc2)C2CC2)c1O ZINC000898324178 620506508 /nfs/dbraw/zinc/50/65/08/620506508.db2.gz DCBYXORXNYACGS-MRXNPFEDSA-N 1 0 284.359 3.037 20 10 CGCDRO CCOc1ccc(C[NH2+][C@@H](c2ccncc2)C2CC2)c(O)c1 ZINC000898326232 620506837 /nfs/dbraw/zinc/50/68/37/620506837.db2.gz UDULNLOMZLNSHU-GOSISDBHSA-N 1 0 298.386 3.427 20 10 CGCDRO Cc1cc(C)cc(C[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)c1 ZINC000841043386 620540587 /nfs/dbraw/zinc/54/05/87/620540587.db2.gz OFONQJCCIKYOGD-IBGZPJMESA-N 1 0 297.446 3.159 20 10 CGCDRO C[C@@H]([NH2+]CCN1CCC(C)CC1)c1ccc(N(C)C)cc1 ZINC000040771981 620545300 /nfs/dbraw/zinc/54/53/00/620545300.db2.gz HLZMZKAMBSGFIS-MRXNPFEDSA-N 1 0 289.467 3.135 20 10 CGCDRO CCC[C@H](O)CC[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000927020864 620563197 /nfs/dbraw/zinc/56/31/97/620563197.db2.gz ZNMDDPVBDUVKMA-KGLIPLIRSA-N 1 0 265.397 3.211 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCCO[C@@H](C)C2)cc1F ZINC000179396848 621010140 /nfs/dbraw/zinc/01/01/40/621010140.db2.gz OZEMXQMNJKYGCR-AWEZNQCLSA-N 1 0 294.414 3.283 20 10 CGCDRO CC[C@@H](N[C@@H]1C[NH2+]CC1(C)C)c1cccc(Cl)c1[O-] ZINC000902447284 621328460 /nfs/dbraw/zinc/32/84/60/621328460.db2.gz YGBPEEAHZGPSHV-CHWSQXEVSA-N 1 0 282.815 3.084 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@H]2CC[C@@H](C3CC3)O2)c1O ZINC000903251645 621641490 /nfs/dbraw/zinc/64/14/90/621641490.db2.gz JMIFPAHSAIYWRA-LNSITVRQSA-N 1 0 291.391 3.009 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C2CC3(C2)CO[C@H](C)C3)c(O)c1 ZINC000903284651 621651268 /nfs/dbraw/zinc/65/12/68/621651268.db2.gz XKUCIFSRJFZPHP-YFTKNLTDSA-N 1 0 275.392 3.309 20 10 CGCDRO C[C@H]([NH2+]C1CC(CCO)C1)c1cc2c(cc1O)CCCC2 ZINC000903329004 621703700 /nfs/dbraw/zinc/70/37/00/621703700.db2.gz IKVXDQWXCHQFOR-FUJMWEONSA-N 1 0 289.419 3.083 20 10 CGCDRO COC(C)(C)[C@H](C)[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000903331442 621706605 /nfs/dbraw/zinc/70/66/05/621706605.db2.gz NSHKSQUSLUYCIO-JFGNBEQYSA-N 1 0 281.371 3.483 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C2CC(CCO)C2)c1O ZINC000903332333 621707481 /nfs/dbraw/zinc/70/74/81/621707481.db2.gz IHNBOVVKCFBOQX-ZBOXLXRLSA-N 1 0 283.799 3.166 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@]23C[C@H]2COC32CCC2)c1 ZINC000903364188 621715592 /nfs/dbraw/zinc/71/55/92/621715592.db2.gz VMDWOYAHAOJAGH-GRDNDAEWSA-N 1 0 287.403 3.310 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CCOC12CCCC2)c1ccccc1O ZINC000903383479 621724648 /nfs/dbraw/zinc/72/46/48/621724648.db2.gz OZSQMRYRZXVZDM-DOMZBBRYSA-N 1 0 261.365 3.145 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCOC23CCCC3)c1 ZINC000903384255 621725374 /nfs/dbraw/zinc/72/53/74/621725374.db2.gz VAZSTLYURKLUCG-CZUORRHYSA-N 1 0 275.392 3.453 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc(CCO)cc1)c1ccc(C)cc1O ZINC000903402975 621740749 /nfs/dbraw/zinc/74/07/49/621740749.db2.gz JSEPOMZUPRGMHG-GOSISDBHSA-N 1 0 299.414 3.476 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2COC[C@@H]2C2CC2)c(O)c1C ZINC000903437559 621746274 /nfs/dbraw/zinc/74/62/74/621746274.db2.gz PGMOCHBKFOKTKO-MAZHCROVSA-N 1 0 275.392 3.085 20 10 CGCDRO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000042879942 621885376 /nfs/dbraw/zinc/88/53/76/621885376.db2.gz BRMVSNWALVSEQO-AAEUAGOBSA-N 1 0 277.364 3.179 20 10 CGCDRO CCOc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)c(O)c1 ZINC000768138321 625526980 /nfs/dbraw/zinc/52/69/80/625526980.db2.gz SWDIKFROEIEHIX-CHWSQXEVSA-N 1 0 263.381 3.269 20 10 CGCDRO CCCC[N@H+](CC[C@@H]1CCOC1)Cc1ccccc1O ZINC000802657982 622332523 /nfs/dbraw/zinc/33/25/23/622332523.db2.gz YBGVIMICFDNNIT-OAHLLOKOSA-N 1 0 277.408 3.421 20 10 CGCDRO CCCC[N@H+](CC[C@H]1CCOC1)Cc1ccccc1O ZINC000802657981 622332614 /nfs/dbraw/zinc/33/26/14/622332614.db2.gz YBGVIMICFDNNIT-HNNXBMFYSA-N 1 0 277.408 3.421 20 10 CGCDRO Cc1ccc(N2CCC[N@H+](Cc3ccccc3O)CC2)cc1 ZINC000155521859 622373940 /nfs/dbraw/zinc/37/39/40/622373940.db2.gz RONWVRVKFCOUBU-UHFFFAOYSA-N 1 0 296.414 3.413 20 10 CGCDRO COc1ccc(N2CCC([NH2+][C@@H](C)CSC)CC2)cc1 ZINC000150999760 622716083 /nfs/dbraw/zinc/71/60/83/622716083.db2.gz XUKBDKSMMPTRGA-ZDUSSCGKSA-N 1 0 294.464 3.005 20 10 CGCDRO COc1cc(C)ccc1C[NH2+]Cc1cc(C)ccc1O ZINC000151046020 622725608 /nfs/dbraw/zinc/72/56/08/622725608.db2.gz UYDAGEJDKHWKAC-UHFFFAOYSA-N 1 0 271.360 3.307 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCO[C@H](C)[C@@H]2C)cc1C(C)C ZINC000164189693 622819636 /nfs/dbraw/zinc/81/96/36/622819636.db2.gz DCHJTBQPIAWPSZ-UONOGXRCSA-N 1 0 277.408 3.433 20 10 CGCDRO C[C@H]([NH2+]CCN1CCCC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000156610189 622826088 /nfs/dbraw/zinc/82/60/88/622826088.db2.gz DNWUOMLRQVVGRS-HOTGVXAUSA-N 1 0 289.467 3.278 20 10 CGCDRO C[C@H]([NH2+]CCCSc1nccs1)c1ccncc1 ZINC000156672799 622833342 /nfs/dbraw/zinc/83/33/42/622833342.db2.gz DJOZPNVGZRFDRH-NSHDSACASA-N 1 0 279.434 3.371 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCOC3(CCCC3)C2)c1 ZINC000164516927 622836592 /nfs/dbraw/zinc/83/65/92/622836592.db2.gz PUVAYDMFNNEDGG-UHFFFAOYSA-N 1 0 275.392 3.154 20 10 CGCDRO CCOCCCC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000165099069 622855478 /nfs/dbraw/zinc/85/54/78/622855478.db2.gz GAYJSGPRWRVQBJ-AWEZNQCLSA-N 1 0 264.413 3.220 20 10 CGCDRO CCN(CC)C[C@@H](C)[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000045692095 622886355 /nfs/dbraw/zinc/88/63/55/622886355.db2.gz QTCTYFZRBRZXDZ-KGLIPLIRSA-N 1 0 264.413 3.082 20 10 CGCDRO Oc1ccc(F)cc1C[NH+]1CCc2ccccc2CC1 ZINC000226565215 622981442 /nfs/dbraw/zinc/98/14/42/622981442.db2.gz RRIRJDWNMSHQLA-UHFFFAOYSA-N 1 0 271.335 3.132 20 10 CGCDRO C[C@@H]1CCC[C@](C[NH2+]Cc2cc(F)ccc2O)(N(C)C)C1 ZINC000226585990 622985288 /nfs/dbraw/zinc/98/52/88/622985288.db2.gz HDXUCGZDJZCTBM-DYVFJYSZSA-N 1 0 294.414 3.131 20 10 CGCDRO C[C@@H]1CC([NH2+]Cc2cc(F)ccc2O)C[C@@H](C)C1 ZINC000226610409 622986143 /nfs/dbraw/zinc/98/61/43/622986143.db2.gz RTQGGZRLYHXBQT-QWRGUYRKSA-N 1 0 251.345 3.446 20 10 CGCDRO C[C@@H]1CCCC[C@H]1C[NH2+]Cc1cc(F)ccc1O ZINC000226586477 622986835 /nfs/dbraw/zinc/98/68/35/622986835.db2.gz AQKJSTUCCUUWNZ-NEPJUHHUSA-N 1 0 251.345 3.447 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](O)CC(C)(C)C)cc1 ZINC000227375158 623017862 /nfs/dbraw/zinc/01/78/62/623017862.db2.gz DQHKOYSHWXRUMU-KRWDZBQOSA-N 1 0 292.467 3.420 20 10 CGCDRO COc1ccc(C[NH2+]CC2(SC)CCC2)cc1C ZINC000227946285 623035208 /nfs/dbraw/zinc/03/52/08/623035208.db2.gz ZZNMBOABHDNENB-UHFFFAOYSA-N 1 0 265.422 3.379 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCC[C@@H]2C)c1O ZINC000228673894 623069816 /nfs/dbraw/zinc/06/98/16/623069816.db2.gz PEKCGMRMHQCVBH-JOYOIKCWSA-N 1 0 269.772 3.332 20 10 CGCDRO COc1cccc(CC[NH2+]Cc2ccc(OC)c(C)c2)c1 ZINC000060999045 623087566 /nfs/dbraw/zinc/08/75/66/623087566.db2.gz SVUUAHLILIEDKR-UHFFFAOYSA-N 1 0 285.387 3.345 20 10 CGCDRO C[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccsc1 ZINC000061361869 623132403 /nfs/dbraw/zinc/13/24/03/623132403.db2.gz HGSGAKOTAWBVPS-SECBINFHSA-N 1 0 277.345 3.033 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)CC2CCOCC2)cc1 ZINC000171859142 623193882 /nfs/dbraw/zinc/19/38/82/623193882.db2.gz FNINRJVAWORHQW-UHFFFAOYSA-N 1 0 290.451 3.391 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H]([NH3+])CC)c1ccc(Cl)c(Cl)c1[O-] ZINC000817980994 625633181 /nfs/dbraw/zinc/63/31/81/625633181.db2.gz YUBJWYOTIHCZLI-GZMMTYOYSA-N 1 0 291.222 3.477 20 10 CGCDRO CO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc(C)ccc2O)C1(C)C ZINC000230665786 623258374 /nfs/dbraw/zinc/25/83/74/623258374.db2.gz QQDZHGGYCBRIEN-TUKIKUTGSA-N 1 0 263.381 3.165 20 10 CGCDRO CC[C@H]([NH2+]CCc1nc(C)cs1)c1ccccc1O ZINC000063132423 623300821 /nfs/dbraw/zinc/30/08/21/623300821.db2.gz JEFFZBLCXWFVAZ-ZDUSSCGKSA-N 1 0 276.405 3.441 20 10 CGCDRO CN(C)C1(C[NH2+]Cc2c(O)cccc2Cl)CCCCC1 ZINC000083551434 625644947 /nfs/dbraw/zinc/64/49/47/625644947.db2.gz VLRWJOXCFZEYSV-UHFFFAOYSA-N 1 0 296.842 3.400 20 10 CGCDRO Cc1cccc(C[NH2+]Cc2c(O)cccc2Cl)n1 ZINC000083552045 625645722 /nfs/dbraw/zinc/64/57/22/625645722.db2.gz JOJJRURJKKABRS-UHFFFAOYSA-N 1 0 262.740 3.039 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)[C@H]2CCCO2)cc1F ZINC000152062069 623612093 /nfs/dbraw/zinc/61/20/93/623612093.db2.gz PDPZUIPUYLOSPM-CXAGYDPISA-N 1 0 294.414 3.329 20 10 CGCDRO COCC[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000152130673 623622748 /nfs/dbraw/zinc/62/27/48/623622748.db2.gz MOQDVCVOEQDNCB-HNNXBMFYSA-N 1 0 276.424 3.364 20 10 CGCDRO CC[N@H+](Cc1cccn1C)Cc1ccc(N(C)C)cc1 ZINC000153293355 623842485 /nfs/dbraw/zinc/84/24/85/623842485.db2.gz VEHZNLHJQUGIBA-UHFFFAOYSA-N 1 0 271.408 3.113 20 10 CGCDRO CC[N@H+](Cc1ccncc1)Cc1cc(C)cc(OC)c1O ZINC000915791301 624030219 /nfs/dbraw/zinc/03/02/19/624030219.db2.gz GJKGYTYMQHMJAL-UHFFFAOYSA-N 1 0 286.375 3.126 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(-n2cccn2)cc1)c1ccccc1O ZINC000154056179 624177079 /nfs/dbraw/zinc/17/70/79/624177079.db2.gz PASAYCRMAQKSLI-CQSZACIVSA-N 1 0 293.370 3.429 20 10 CGCDRO C[C@@H]([NH2+]Cc1cccnc1N(C)C)c1ccc(N(C)C)cc1 ZINC000154745026 624357032 /nfs/dbraw/zinc/35/70/32/624357032.db2.gz HGRIWIDZPJTHBS-CQSZACIVSA-N 1 0 298.434 3.064 20 10 CGCDRO Oc1ccc(F)cc1C[N@@H+]1CCOC2(CCCCC2)C1 ZINC000180200911 624726675 /nfs/dbraw/zinc/72/66/75/624726675.db2.gz BWPZSQZYAXKTHD-UHFFFAOYSA-N 1 0 279.355 3.066 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CCCC[C@H]2C(C)C)c1 ZINC000180276746 624731076 /nfs/dbraw/zinc/73/10/76/624731076.db2.gz UORCCDHWAILIRO-HNNXBMFYSA-N 1 0 263.381 3.411 20 10 CGCDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2cc(OC)ccc2O)C1(C)C ZINC000180395377 624745271 /nfs/dbraw/zinc/74/52/71/624745271.db2.gz WQXOXXITFLXUHW-HOTGVXAUSA-N 1 0 293.407 3.036 20 10 CGCDRO CC[C@H](O)C[N@H+](Cc1ccccc1)Cc1cccc(C)c1O ZINC000180481072 624754184 /nfs/dbraw/zinc/75/41/84/624754184.db2.gz LPLAYTWHUIYEOX-SFHVURJKSA-N 1 0 299.414 3.474 20 10 CGCDRO Cc1ccc(C[N@H+](CCO)Cc2cc(C)ccc2O)cc1 ZINC000180846579 624777533 /nfs/dbraw/zinc/77/75/33/624777533.db2.gz MGVWRLMTFZTWGI-UHFFFAOYSA-N 1 0 285.387 3.004 20 10 CGCDRO CC[N@H+](Cc1ccccc1)Cc1cc(OC)ccc1O ZINC000183468653 625077269 /nfs/dbraw/zinc/07/72/69/625077269.db2.gz CGZVUMVESUULJQ-UHFFFAOYSA-N 1 0 271.360 3.423 20 10 CGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@H](C)C2CCCC2)c1O ZINC000184652747 625258222 /nfs/dbraw/zinc/25/82/22/625258222.db2.gz IVDOTZYACCBTCS-SNVBAGLBSA-N 1 0 279.355 3.402 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C2C[C@@H](C)O[C@H](C)C2)c1 ZINC000186210443 625755085 /nfs/dbraw/zinc/75/50/85/625755085.db2.gz NOZCDUFLYQUCHY-UPJWGTAASA-N 1 0 263.381 3.307 20 10 CGCDRO CC(C)(C)c1coc(CNCc2ccc3c(c2)CCO3)n1 ZINC000921648353 625803915 /nfs/dbraw/zinc/80/39/15/625803915.db2.gz BZGPJIDTWLVLFF-UHFFFAOYSA-N 1 0 286.375 3.197 20 10 CGCDRO COC(C)(C)C[C@H](C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921784083 625874248 /nfs/dbraw/zinc/87/42/48/625874248.db2.gz MPPYJBCWBSYUED-ZDUSSCGKSA-N 1 0 277.408 3.305 20 10 CGCDRO C[C@@H]([NH2+]CC[C@H]1CCCO1)c1cc(Cl)ccc1O ZINC000756398027 625963719 /nfs/dbraw/zinc/96/37/19/625963719.db2.gz BDELCLBKNLMXTO-ZYHUDNBSSA-N 1 0 269.772 3.265 20 10 CGCDRO Cc1cccnc1CCC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922157954 625974259 /nfs/dbraw/zinc/97/42/59/625974259.db2.gz IDIJSLRRNVEAJH-UHFFFAOYSA-N 1 0 296.414 3.437 20 10 CGCDRO C[C@H](Cc1ccccn1)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922222241 625986008 /nfs/dbraw/zinc/98/60/08/625986008.db2.gz FHKYLWCKQCWJTH-CQSZACIVSA-N 1 0 282.387 3.127 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)[C@H]1CCCOC1 ZINC000922335401 625999612 /nfs/dbraw/zinc/99/96/12/625999612.db2.gz RUIDCOZNLABNMH-DLBZAZTESA-N 1 0 289.419 3.306 20 10 CGCDRO C[C@@H]1[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)CCN1C ZINC000922557449 626013244 /nfs/dbraw/zinc/01/32/44/626013244.db2.gz OHSYWVWCDLMTOP-RDTXWAMCSA-N 1 0 296.414 3.241 20 10 CGCDRO COC(C)(C)[C@@H](C)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000922580023 626015217 /nfs/dbraw/zinc/01/52/17/626015217.db2.gz BFFZKUUEEUDUDU-WBTMPAOCSA-N 1 0 276.424 3.169 20 10 CGCDRO CCOCc1cc(C[NH2+][C@@H](C)C(C)(C)OC)ccc1OC ZINC000922582227 626016045 /nfs/dbraw/zinc/01/60/45/626016045.db2.gz NTORGTHSFHXJJS-ZDUSSCGKSA-N 1 0 295.423 3.135 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCS[C@H](C)C2)c1 ZINC000922841068 626055148 /nfs/dbraw/zinc/05/51/48/626055148.db2.gz DWWLCBFZNDOGIF-YPMHNXCESA-N 1 0 281.421 3.165 20 10 CGCDRO CCOc1ccc(C[NH2+][C@@H]2CCS[C@@H](C)C2)c(O)c1 ZINC000922841839 626055713 /nfs/dbraw/zinc/05/57/13/626055713.db2.gz JHPDQUBVQSHVRA-WCQYABFASA-N 1 0 281.421 3.165 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@]2(C)CCOc3ccccc32)c1 ZINC000923023831 626120482 /nfs/dbraw/zinc/12/04/82/626120482.db2.gz DOPSDHNMNGSZGY-GOSISDBHSA-N 1 0 283.371 3.488 20 10 CGCDRO CO[C@@H](C[NH2+][C@H](C)c1ccc(C)c(C)c1O)C(F)(F)F ZINC000756835515 626169699 /nfs/dbraw/zinc/16/96/99/626169699.db2.gz NTYVXWYOGDENHP-PWSUYJOCSA-N 1 0 291.313 3.237 20 10 CGCDRO Cc1ncc(C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)o1 ZINC000840794551 626245222 /nfs/dbraw/zinc/24/52/22/626245222.db2.gz LGTJQNZYHQCEKQ-PRHODGIISA-N 1 0 276.311 3.166 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCc3ccccc32)c1 ZINC000020130161 634489558 /nfs/dbraw/zinc/48/95/58/634489558.db2.gz UNFFYXHHUKONNU-MRXNPFEDSA-N 1 0 269.344 3.178 20 10 CGCDRO CCOc1cccc(C[NH+]2CC(Cc3ccccc3)C2)c1O ZINC000839127916 626321065 /nfs/dbraw/zinc/32/10/65/626321065.db2.gz JXYTYGJTFKVHAD-UHFFFAOYSA-N 1 0 297.398 3.465 20 10 CGCDRO COc1cccc(C[NH+]2CC(Cc3cccc(C)c3)C2)c1O ZINC000839131241 626321353 /nfs/dbraw/zinc/32/13/53/626321353.db2.gz HGVNXECIYXRUDP-UHFFFAOYSA-N 1 0 297.398 3.384 20 10 CGCDRO CCOC1(C)C[NH+](Cc2ccc3ccccc3c2O)C1 ZINC000839142363 626323218 /nfs/dbraw/zinc/32/32/18/626323218.db2.gz IRTISABAYYNURR-UHFFFAOYSA-N 1 0 271.360 3.156 20 10 CGCDRO Cc1cccc(C[N@@H+](C)C[C@H](C)C(=O)OC(C)(C)C)c1O ZINC000839192100 626328600 /nfs/dbraw/zinc/32/86/00/626328600.db2.gz INTOPGLASACYJX-ZDUSSCGKSA-N 1 0 293.407 3.110 20 10 CGCDRO COCC[N@H+](Cc1cc(C)cc(C)c1O)C1CCCC1 ZINC000754720772 626584584 /nfs/dbraw/zinc/58/45/84/626584584.db2.gz PLYIVJMERDGJJB-UHFFFAOYSA-N 1 0 277.408 3.400 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@H+]2CCOC[C@@H]2CC(C)C)c1 ZINC000754725807 626584956 /nfs/dbraw/zinc/58/49/56/626584956.db2.gz AFQVAARVCUUBPL-INIZCTEOSA-N 1 0 277.408 3.256 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)c1 ZINC000754738784 626586007 /nfs/dbraw/zinc/58/60/07/626586007.db2.gz GCSXQBKDJJTFPO-GDBMZVCRSA-N 1 0 275.392 3.010 20 10 CGCDRO C[C@@H]([NH2+]CC(C)(C)N(C)C)c1cc2c(cc1O)CCCC2 ZINC000756343401 626694072 /nfs/dbraw/zinc/69/40/72/626694072.db2.gz NHLAPUIRQMETQS-CYBMUJFWSA-N 1 0 290.451 3.262 20 10 CGCDRO CCN(CC)CC[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756354601 626694983 /nfs/dbraw/zinc/69/49/83/626694983.db2.gz FXBNLIRBUUKYMN-YPMHNXCESA-N 1 0 280.387 3.011 20 10 CGCDRO CC(C)OCCC[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756352689 626695160 /nfs/dbraw/zinc/69/51/60/626695160.db2.gz WDDSYKQPYUGFGZ-YPMHNXCESA-N 1 0 281.371 3.484 20 10 CGCDRO CCN1CCC([NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)CC1 ZINC000756360076 626696194 /nfs/dbraw/zinc/69/61/94/626696194.db2.gz DDZOIXCWIZKQCM-SMDDNHRTSA-N 1 0 292.398 3.154 20 10 CGCDRO CCC(O)(CC)C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756498586 626709977 /nfs/dbraw/zinc/70/99/77/626709977.db2.gz XWHOIBRSMFWZTN-PWSUYJOCSA-N 1 0 281.371 3.220 20 10 CGCDRO C[C@H]1C[C@@H]([NH2+]CC2CCOCC2)c2c1c(F)ccc2O ZINC000756510495 626711155 /nfs/dbraw/zinc/71/11/55/626711155.db2.gz JBGJRUDPXPFGNQ-GXFFZTMASA-N 1 0 279.355 3.096 20 10 CGCDRO CCCCN(C)CC[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000756574881 626717047 /nfs/dbraw/zinc/71/70/47/626717047.db2.gz HAUHZBIYBZYRFI-LBPRGKRZSA-N 1 0 284.831 3.428 20 10 CGCDRO CSCCC[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756584362 626718207 /nfs/dbraw/zinc/71/82/07/626718207.db2.gz FJCDNJIXGMUVED-MWLCHTKSSA-N 1 0 269.385 3.422 20 10 CGCDRO CCc1cc(C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)on1 ZINC000756605478 626720046 /nfs/dbraw/zinc/72/00/46/626720046.db2.gz IOERWNXKEUYIRO-LBPRGKRZSA-N 1 0 274.364 3.410 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H](CO)c2ccccc2C)c(O)c1 ZINC000756637093 626722485 /nfs/dbraw/zinc/72/24/85/626722485.db2.gz MLTKYGYFCQNXOW-RHSMWYFYSA-N 1 0 285.387 3.393 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C2CCOCC2)c(O)c1C ZINC000756652749 626724574 /nfs/dbraw/zinc/72/45/74/626724574.db2.gz ACIQMRCJILHIER-KBPBESRZSA-N 1 0 277.408 3.475 20 10 CGCDRO C[C@H]1C[C@H]([NH2+]C[C@@H]2CCO[C@H](C)C2)c2c1c(F)ccc2O ZINC000756676673 626726362 /nfs/dbraw/zinc/72/63/62/626726362.db2.gz MXACUABIOFEWBS-SFTQSGBHSA-N 1 0 293.382 3.484 20 10 CGCDRO CCn1cc(C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)cn1 ZINC000756732702 626728151 /nfs/dbraw/zinc/72/81/51/626728151.db2.gz JWMXXZZMXCPZAA-GWCFXTLKSA-N 1 0 289.354 3.086 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2cccc(F)n2)c1 ZINC000756767230 626729924 /nfs/dbraw/zinc/72/99/24/626729924.db2.gz DXJXAIRSWCWMHW-NSHDSACASA-N 1 0 260.312 3.086 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1cc(Cl)ccc1O ZINC000756781389 626732103 /nfs/dbraw/zinc/73/21/03/626732103.db2.gz CPTDDNCISBZLIP-CKYFFXLPSA-N 1 0 269.772 3.264 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)C(C)(C)O)c1cc2c(cc1O)CCCC2 ZINC000756820366 626734890 /nfs/dbraw/zinc/73/48/90/626734890.db2.gz VWUSWIDFYACDDV-NEPJUHHUSA-N 1 0 277.408 3.081 20 10 CGCDRO C[C@H](Nc1cnn(-c2cc[nH+]cc2)c1)c1cc(F)ccc1O ZINC000756867303 626738364 /nfs/dbraw/zinc/73/83/64/626738364.db2.gz IDSCEFVCYUZHHJ-NSHDSACASA-N 1 0 298.321 3.285 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1cncc(F)c1)c1ccc(F)cc1[O-] ZINC000757636694 626795663 /nfs/dbraw/zinc/79/56/63/626795663.db2.gz FQMLPOGGHGMAGJ-VHSXEESVSA-N 1 0 278.302 3.477 20 10 CGCDRO C[C@H]([NH2+]Cc1nn(C)c2ccccc12)c1ccccc1O ZINC000760898176 627001412 /nfs/dbraw/zinc/00/14/12/627001412.db2.gz PAHXFJAIEHKGKA-LBPRGKRZSA-N 1 0 281.359 3.130 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](C)C(C)(C)C2)c1 ZINC000761226260 627027352 /nfs/dbraw/zinc/02/73/52/627027352.db2.gz NZNIURJGSRIDMP-GFCCVEGCSA-N 1 0 263.381 3.269 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)c(O)c1 ZINC000763525674 627163497 /nfs/dbraw/zinc/16/34/97/627163497.db2.gz LHQNSHDNOLQXQO-CJNGLKHVSA-N 1 0 293.407 3.084 20 10 CGCDRO COc1cccc(O)c1C[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000763533280 627164027 /nfs/dbraw/zinc/16/40/27/627164027.db2.gz ZUXBFVSKUOJAAH-BLLLJJGKSA-N 1 0 293.407 3.084 20 10 CGCDRO CC(C)O[C@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)C1(C)C ZINC000765811987 627272819 /nfs/dbraw/zinc/27/28/19/627272819.db2.gz SIKPGHSZPDGUAE-SJORKVTESA-N 1 0 290.451 3.434 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000766030699 627288971 /nfs/dbraw/zinc/28/89/71/627288971.db2.gz WMSKLCLSGRDDNY-INIZCTEOSA-N 1 0 290.451 3.497 20 10 CGCDRO CCCC[C@@H](COC)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000766029361 627289246 /nfs/dbraw/zinc/28/92/46/627289246.db2.gz JJTOOHMYLDZKMU-INIZCTEOSA-N 1 0 278.440 3.356 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H]2C[C@@H](OC(C)C)C2(C)C)c1 ZINC000766091334 627294787 /nfs/dbraw/zinc/29/47/87/627294787.db2.gz XNPKKKGSSINYMQ-JKSUJKDBSA-N 1 0 277.408 3.382 20 10 CGCDRO CC[N@H+](Cc1ccccc1)Cc1c(O)cccc1OC ZINC000768141083 627462878 /nfs/dbraw/zinc/46/28/78/627462878.db2.gz NTRXCVPBWLYUGY-UHFFFAOYSA-N 1 0 271.360 3.423 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000768168716 627464979 /nfs/dbraw/zinc/46/49/79/627464979.db2.gz MIMAGXHAANSXTI-JTQLQIEISA-N 1 0 289.297 3.175 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000768168718 627465002 /nfs/dbraw/zinc/46/50/02/627465002.db2.gz MIMAGXHAANSXTI-SNVBAGLBSA-N 1 0 289.297 3.175 20 10 CGCDRO COc1cccc(O)c1C[N@H+](C)[C@H](C)c1ccco1 ZINC000768263811 627471666 /nfs/dbraw/zinc/47/16/66/627471666.db2.gz WEIBIZJQAFJFDS-LLVKDONJSA-N 1 0 261.321 3.187 20 10 CGCDRO COc1cc(C[NH+]2CCCCCCC2)c(O)cc1C ZINC000768437954 627480076 /nfs/dbraw/zinc/48/00/76/627480076.db2.gz KXVBOTNWKCIORW-UHFFFAOYSA-N 1 0 263.381 3.475 20 10 CGCDRO CCC[C@@H]1C[N@H+](Cc2cc3c(cc2O)CCCC3)CCO1 ZINC000768466244 627481073 /nfs/dbraw/zinc/48/10/73/627481073.db2.gz WHLIHNDVEASLKZ-QGZVFWFLSA-N 1 0 289.419 3.272 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C[C@@H]2CCCOC2)C2CC2)cc1 ZINC000768536698 627485253 /nfs/dbraw/zinc/48/52/53/627485253.db2.gz VQJSETRHADARMH-INIZCTEOSA-N 1 0 288.435 3.144 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C2(C)Cc3ccccc3C2)cc1 ZINC000768661989 627491349 /nfs/dbraw/zinc/49/13/49/627491349.db2.gz NEWPLFLDVNMBGO-UHFFFAOYSA-N 1 0 280.415 3.400 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](OC)C2)cc1F ZINC000768751999 627495940 /nfs/dbraw/zinc/49/59/40/627495940.db2.gz AYQDDWLMFGFWHS-OAHLLOKOSA-N 1 0 294.414 3.283 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](C)[C@@H]2C)c1 ZINC000769223766 627531714 /nfs/dbraw/zinc/53/17/14/627531714.db2.gz QRHRICJUCBDKJB-STQMWFEESA-N 1 0 263.381 3.411 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1Cc2ccccc2C[C@H]1C ZINC000769482530 627559585 /nfs/dbraw/zinc/55/95/85/627559585.db2.gz FNXWHLPJXVZBDB-CYBMUJFWSA-N 1 0 283.371 3.348 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000769517129 627562275 /nfs/dbraw/zinc/56/22/75/627562275.db2.gz ZCJBVTNQHLKQFJ-LLVKDONJSA-N 1 0 251.757 3.278 20 10 CGCDRO Oc1cccc(Cl)c1C[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000770286604 627611876 /nfs/dbraw/zinc/61/18/76/627611876.db2.gz RYLUMLXHVXBCBB-SMDDNHRTSA-N 1 0 281.783 3.047 20 10 CGCDRO C[C@@H]1CC[C@@H](C)[NH+]1Cc1ccc(N(C)C)c(F)c1 ZINC000770309972 627612464 /nfs/dbraw/zinc/61/24/64/627612464.db2.gz BJCCCTQJKNJVMZ-VXGBXAGGSA-N 1 0 250.361 3.265 20 10 CGCDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cc(C)ccc2O)C12CCC2 ZINC000770352215 627615073 /nfs/dbraw/zinc/61/50/73/627615073.db2.gz MXYUAXBKJNSDFN-IAGOWNOFSA-N 1 0 289.419 3.480 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000770371937 627615578 /nfs/dbraw/zinc/61/55/78/627615578.db2.gz CVUZBJLOOAXMHU-OLZOCXBDSA-N 1 0 295.810 3.294 20 10 CGCDRO CCOc1ccc(C[N@H+](C)Cc2cccc(O)c2)c(O)c1 ZINC000771934517 627746079 /nfs/dbraw/zinc/74/60/79/627746079.db2.gz ASYKVFUMOJHEOU-UHFFFAOYSA-N 1 0 287.359 3.129 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C1CC2(CCC2)C1 ZINC000772877728 627830288 /nfs/dbraw/zinc/83/02/88/627830288.db2.gz JIKYKMFRKFKCTH-UHFFFAOYSA-N 1 0 258.409 3.483 20 10 CGCDRO C[C@@H]([NH2+]CC(C)(C)CO)c1ccc(N2CCCCC2)cc1 ZINC000773071112 627850512 /nfs/dbraw/zinc/85/05/12/627850512.db2.gz JJYKWDQVISHKNM-OAHLLOKOSA-N 1 0 290.451 3.346 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2cc(C)ncn2)cc1 ZINC000773105483 627857172 /nfs/dbraw/zinc/85/71/72/627857172.db2.gz HIVDKRAVNYXOSP-CQSZACIVSA-N 1 0 284.407 3.092 20 10 CGCDRO CCN(C)c1ccc(C[NH2+][C@](C)(CO)c2ccccc2)cc1 ZINC000773753792 627911683 /nfs/dbraw/zinc/91/16/83/627911683.db2.gz AGWMUJFGMPQRGY-LJQANCHMSA-N 1 0 298.430 3.140 20 10 CGCDRO CCN(C)c1ccc(C[N@H+](CC)C[C@H]2CCCO2)cc1 ZINC000773758200 627912039 /nfs/dbraw/zinc/91/20/39/627912039.db2.gz XLRCJSVLLJHKAZ-QGZVFWFLSA-N 1 0 276.424 3.144 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@H](C)[C@@H](F)C2)cc1 ZINC000773831893 627917662 /nfs/dbraw/zinc/91/76/62/627917662.db2.gz JYWKYTRGKRKJME-BBRMVZONSA-N 1 0 264.388 3.323 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)c1ccnn1C ZINC000774160177 627953621 /nfs/dbraw/zinc/95/36/21/627953621.db2.gz TZJQQHAZOIEGTR-OAHLLOKOSA-N 1 0 298.434 3.261 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCOCC3(CCCC3)C2)c1 ZINC000774654354 628012239 /nfs/dbraw/zinc/01/22/39/628012239.db2.gz BLULVFNNKCRKCF-UHFFFAOYSA-N 1 0 289.419 3.402 20 10 CGCDRO C[C@H]([NH2+]C[C@H](O)c1ccccc1Cl)c1ccccc1O ZINC000775129639 628066298 /nfs/dbraw/zinc/06/62/98/628066298.db2.gz HJLMGMZOCTXKKB-ZBEGNZNMSA-N 1 0 291.778 3.430 20 10 CGCDRO C[C@@H]([NH2+]C[Si](C)(C)C)c1ccc(N2CCOCC2)cc1 ZINC000775258795 628076153 /nfs/dbraw/zinc/07/61/53/628076153.db2.gz BPHJDUAJQXFFJC-CQSZACIVSA-N 1 0 292.499 3.051 20 10 CGCDRO C[C@@H]([NH2+]Cc1cnn2ccccc12)c1ccc(N(C)C)cc1 ZINC000775365140 628086497 /nfs/dbraw/zinc/08/64/97/628086497.db2.gz UOVHRPOHFRDKBV-CQSZACIVSA-N 1 0 294.402 3.251 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](O)C(F)(F)F)c1cc(Cl)ccc1O ZINC000775494074 628101001 /nfs/dbraw/zinc/10/10/01/628101001.db2.gz YCDKTSPKUKTTKW-GXSJLCMTSA-N 1 0 297.704 3.010 20 10 CGCDRO CC[C@H]([NH2+]C[C@H]1CCC[C@@H]1OC)c1ccccc1O ZINC000775531983 628103879 /nfs/dbraw/zinc/10/38/79/628103879.db2.gz QDHJWNNNZHYVAI-INWMFGNUSA-N 1 0 263.381 3.248 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](C)[C@@H]2CC)c1 ZINC000776000502 628156334 /nfs/dbraw/zinc/15/63/34/628156334.db2.gz LKRTVXRCXWCOLI-WFASDCNBSA-N 1 0 263.381 3.411 20 10 CGCDRO Cc1cccc(C[NH2+][C@H](c2cccnc2)C2CC2)c1O ZINC000776253725 628185510 /nfs/dbraw/zinc/18/55/10/628185510.db2.gz PPTQSBYDULYDAS-INIZCTEOSA-N 1 0 268.360 3.337 20 10 CGCDRO CCC1([NH2+]Cc2cc(Cl)cc(C)c2O)CCOCC1 ZINC000777505633 628276686 /nfs/dbraw/zinc/27/66/86/628276686.db2.gz OQEGMADXQQRTHL-UHFFFAOYSA-N 1 0 283.799 3.403 20 10 CGCDRO Cc1cc([C@H]2CCC[N@@H+]2Cc2cc(F)ccc2O)on1 ZINC000779000162 628382744 /nfs/dbraw/zinc/38/27/44/628382744.db2.gz QVVVJEYQGGVECY-CYBMUJFWSA-N 1 0 276.311 3.165 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000779011066 628383187 /nfs/dbraw/zinc/38/31/87/628383187.db2.gz YXNQOTSLLUCXGL-GOSISDBHSA-N 1 0 283.371 3.356 20 10 CGCDRO CCOC[C@H](C)[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000779071513 628386676 /nfs/dbraw/zinc/38/66/76/628386676.db2.gz GQPVNGIUBPDANA-QWHCGFSZSA-N 1 0 277.408 3.347 20 10 CGCDRO Cc1ccncc1[C@@H](C)[NH2+]Cc1cc(F)ccc1O ZINC000779105725 628389189 /nfs/dbraw/zinc/38/91/89/628389189.db2.gz DHWLNPZWKWISPZ-LLVKDONJSA-N 1 0 260.312 3.086 20 10 CGCDRO C[C@@H]1CC(C)(C)C[C@@](CO)([NH2+]Cc2cc(F)ccc2O)C1 ZINC000779119531 628389349 /nfs/dbraw/zinc/38/93/49/628389349.db2.gz DLZJACYVIMKGKH-PXAZEXFGSA-N 1 0 295.398 3.198 20 10 CGCDRO CN(C)c1ccc(C[N@H+](Cc2cncc(F)c2)C2CC2)cc1 ZINC000779154386 628390752 /nfs/dbraw/zinc/39/07/52/628390752.db2.gz UBFGCZACYDQLOQ-UHFFFAOYSA-N 1 0 299.393 3.451 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H]1CCC=CO1)c1ccc(N(C)C)cc1 ZINC000783302099 628701551 /nfs/dbraw/zinc/70/15/51/628701551.db2.gz BKLBZESDNZBMOE-IAGOWNOFSA-N 1 0 274.408 3.486 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]CC2(N(C)C)CCC2)c2c1c(F)ccc2O ZINC000783315168 628702876 /nfs/dbraw/zinc/70/28/76/628702876.db2.gz VNZFCGFTRYINAK-YPMHNXCESA-N 1 0 292.398 3.154 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccccc1O ZINC000783506082 628719325 /nfs/dbraw/zinc/71/93/25/628719325.db2.gz ODDVIOXGOOHFDE-GFCCVEGCSA-N 1 0 269.344 3.178 20 10 CGCDRO Cc1cccn2cc(CC[NH2+][C@H](C)c3ccccc3O)nc12 ZINC000783516166 628720266 /nfs/dbraw/zinc/72/02/66/628720266.db2.gz FGFDPMDWFNWNPP-CQSZACIVSA-N 1 0 295.386 3.242 20 10 CGCDRO Cc1ccc2[nH]c(C[NH2+][C@H](C)c3ccccc3O)nc2c1 ZINC000783519020 628720700 /nfs/dbraw/zinc/72/07/00/628720700.db2.gz SEOKRCGZLXQLPG-GFCCVEGCSA-N 1 0 281.359 3.428 20 10 CGCDRO COc1cccc2c1CC[N@H+](Cc1ccc(N(C)C)cc1)C2 ZINC000783595168 628730191 /nfs/dbraw/zinc/73/01/91/628730191.db2.gz PLNLHHRBIHILHK-UHFFFAOYSA-N 1 0 296.414 3.320 20 10 CGCDRO COc1cccc(C[NH2+]C[C@H](SC)C(C)(C)C)c1O ZINC000784626073 628825541 /nfs/dbraw/zinc/82/55/41/628825541.db2.gz NBNAHSRAPXCYKR-ZDUSSCGKSA-N 1 0 283.437 3.268 20 10 CGCDRO CN(C)c1ccc(C[NH+]2CC(Cc3ccccc3)C2)cc1 ZINC000785763081 628886770 /nfs/dbraw/zinc/88/67/70/628886770.db2.gz CFSBOPFXYYPKDM-UHFFFAOYSA-N 1 0 280.415 3.427 20 10 CGCDRO COc1cc(O)c(C[NH2+][C@H]2CCCC(C)(C)C2)cc1OC ZINC000785985635 628906061 /nfs/dbraw/zinc/90/60/61/628906061.db2.gz PDUWPEZJOOLHKR-ZDUSSCGKSA-N 1 0 293.407 3.468 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1cc[nH]c(=O)c1 ZINC000788585569 629066109 /nfs/dbraw/zinc/06/61/09/629066109.db2.gz VZHWJCBEMQRJHJ-ZDUSSCGKSA-N 1 0 297.402 3.020 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCOC(F)(F)F)cc1 ZINC000788980399 629093141 /nfs/dbraw/zinc/09/31/41/629093141.db2.gz MYKJWQVXADTBPD-NSHDSACASA-N 1 0 290.329 3.330 20 10 CGCDRO C[C@@H]([NH2+][C@H](C)c1ccc2ccccc2c1O)c1ncnn1C ZINC000788983256 629093841 /nfs/dbraw/zinc/09/38/41/629093841.db2.gz KYYZRRZIRLPASY-VXGBXAGGSA-N 1 0 296.374 3.086 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CCO[C@H](C(C)(C)C)C2)c(O)c1 ZINC000790930744 629241312 /nfs/dbraw/zinc/24/13/12/629241312.db2.gz HYFNOEGEXHAOPK-INIZCTEOSA-N 1 0 293.407 3.038 20 10 CGCDRO COc1ccc(C[NH2+]C[C@](C)(O)C2CCCCC2)cc1C ZINC000790997141 629248543 /nfs/dbraw/zinc/24/85/43/629248543.db2.gz MGASCPDZKIIWFF-SFHVURJKSA-N 1 0 291.435 3.425 20 10 CGCDRO C[N@H+](Cc1ccccc1O)C[C@@]1(C)CCCS1 ZINC000862227895 629326215 /nfs/dbraw/zinc/32/62/15/629326215.db2.gz JIWMSENDYMQXRC-CQSZACIVSA-N 1 0 251.395 3.110 20 10 CGCDRO CC[C@@H](C)[N@H+](CCO)Cc1ccc(N2CCCCC2)cc1 ZINC000862386746 629358717 /nfs/dbraw/zinc/35/87/17/629358717.db2.gz BHYNFYVQONBHPY-MRXNPFEDSA-N 1 0 290.451 3.270 20 10 CGCDRO Cc1ccc(O)c(C[NH+]2C[C@@H](C)C(F)(F)[C@H](C)C2)c1 ZINC000862443581 629376736 /nfs/dbraw/zinc/37/67/36/629376736.db2.gz PUODMVBPTLHIOW-VXGBXAGGSA-N 1 0 269.335 3.424 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)c1 ZINC000862443580 629377080 /nfs/dbraw/zinc/37/70/80/629377080.db2.gz PUODMVBPTLHIOW-TXEJJXNPSA-N 1 0 269.335 3.424 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H]2[C@@H](C)[C@H](C)O[C@H]2C)cc1Cl ZINC000862516886 629390337 /nfs/dbraw/zinc/39/03/37/629390337.db2.gz ANIUTYZCCZROFV-VEABSNGSSA-N 1 0 283.799 3.256 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)c1O ZINC000862530229 629392009 /nfs/dbraw/zinc/39/20/09/629392009.db2.gz XHJUYUFVIDLJFU-KBPBESRZSA-N 1 0 281.783 3.011 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCOc3cc(F)ccc3C2)c1 ZINC000862550326 629400952 /nfs/dbraw/zinc/40/09/52/629400952.db2.gz LGALJYRBYZMWID-UHFFFAOYSA-N 1 0 287.334 3.234 20 10 CGCDRO COc1cc(O)c(C[N@H+](C)[C@H]2CCC(C)(C)C2)cc1OC ZINC000793358591 629447296 /nfs/dbraw/zinc/44/72/96/629447296.db2.gz RRHUARAIHIZJBQ-ZDUSSCGKSA-N 1 0 293.407 3.420 20 10 CGCDRO CSC[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000793798724 629501910 /nfs/dbraw/zinc/50/19/10/629501910.db2.gz YVEOKXAVNIVGFO-CYBMUJFWSA-N 1 0 291.460 3.456 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)Cc2cc(C)ncn2)cc1 ZINC000794256591 629526478 /nfs/dbraw/zinc/52/64/78/629526478.db2.gz IBODANPCAQRONA-UHFFFAOYSA-N 1 0 298.434 3.263 20 10 CGCDRO CC[C@H]([NH2+]CC1(O)CCCC1)c1ccc(C)cc1O ZINC000794806338 629580016 /nfs/dbraw/zinc/58/00/16/629580016.db2.gz HNHQBXPDAYJXHL-AWEZNQCLSA-N 1 0 263.381 3.046 20 10 CGCDRO CC[C@@H]([NH2+]CC1(CO)CCCC1)c1ccc(C)cc1O ZINC000794818968 629582545 /nfs/dbraw/zinc/58/25/45/629582545.db2.gz ZWJMSNNASDZOTL-OAHLLOKOSA-N 1 0 277.408 3.294 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]Cc2cccnc2F)c(O)c1 ZINC000794834558 629584653 /nfs/dbraw/zinc/58/46/53/629584653.db2.gz JMYGYWQLYAVKLP-NSHDSACASA-N 1 0 260.312 3.086 20 10 CGCDRO Cc1ccc([C@@H](O)[C@H](C)[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000796480486 629788646 /nfs/dbraw/zinc/78/86/46/629788646.db2.gz MDLGPFSOTUBDPF-LIRRHRJNSA-N 1 0 297.398 3.142 20 10 CGCDRO CCOc1ccc(C[NH2+]C[C@@H]2CCC(F)(F)C2)c(O)c1 ZINC000797468040 629950290 /nfs/dbraw/zinc/95/02/90/629950290.db2.gz HBRXFAMBCSPNEV-LLVKDONJSA-N 1 0 285.334 3.316 20 10 CGCDRO OC[C@H](C[NH2+]Cc1cc(Cl)ccc1O)CC1CCCC1 ZINC000798503930 630060492 /nfs/dbraw/zinc/06/04/92/630060492.db2.gz QKMQEJOPUSCBEK-ZDUSSCGKSA-N 1 0 297.826 3.324 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H](CO)CC1CCCC1)c1ccccc1O ZINC000798937557 630127682 /nfs/dbraw/zinc/12/76/82/630127682.db2.gz MPHFJZYFTSSDPB-HIFRSBDPSA-N 1 0 277.408 3.232 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccnn2C(C)C)c1 ZINC000799156052 630149925 /nfs/dbraw/zinc/14/99/25/630149925.db2.gz KYOGSQNXEISEMA-LBPRGKRZSA-N 1 0 289.379 3.029 20 10 CGCDRO CC(C)c1ncc(C[N@H+](C)Cc2ccc(N(C)C)cc2)cn1 ZINC000799333515 630169292 /nfs/dbraw/zinc/16/92/92/630169292.db2.gz AHKSZSYXKHLQMB-UHFFFAOYSA-N 1 0 298.434 3.298 20 10 CGCDRO CO[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000799730071 630226636 /nfs/dbraw/zinc/22/66/36/630226636.db2.gz WSEARBDRTWRFAL-NOLJZWGESA-N 1 0 263.381 3.309 20 10 CGCDRO COc1cccc(O)c1C[NH2+]CCc1cccc2[nH]ccc21 ZINC000800295455 630262185 /nfs/dbraw/zinc/26/21/85/630262185.db2.gz FQQHLOPCUFAPIR-UHFFFAOYSA-N 1 0 296.370 3.214 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2O)c1O ZINC000808713097 630296965 /nfs/dbraw/zinc/29/69/65/630296965.db2.gz FDPICMQDDXVGOM-LERXQTSPSA-N 1 0 283.799 3.308 20 10 CGCDRO C[C@H]1C[C@H]([NH2+]CCCOC(F)F)c2c1c(F)ccc2O ZINC000800989963 630318177 /nfs/dbraw/zinc/31/81/77/630318177.db2.gz LMCRALWQFMGBKN-WPRPVWTQSA-N 1 0 289.297 3.299 20 10 CGCDRO CCOc1ccc(C[NH2+]CC[C@@H]2CCCS2)c(O)c1 ZINC000865724879 630476346 /nfs/dbraw/zinc/47/63/46/630476346.db2.gz LUFXOJNMSMCPKZ-AWEZNQCLSA-N 1 0 281.421 3.166 20 10 CGCDRO CN1CCCc2cc(C[NH2+][C@H]3CC[C@@H]3C3CC3)ccc21 ZINC000806134747 630545790 /nfs/dbraw/zinc/54/57/90/630545790.db2.gz BNTGOVQQCZGZQX-SJORKVTESA-N 1 0 270.420 3.347 20 10 CGCDRO CC[C@@H]([NH2+]CC1=CCCOC1)c1cc(Cl)ccc1O ZINC000806177765 630553810 /nfs/dbraw/zinc/55/38/10/630553810.db2.gz JAVXFHDSWAAAHW-CQSZACIVSA-N 1 0 281.783 3.433 20 10 CGCDRO COC[C@]1(C)CC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000840106362 630596095 /nfs/dbraw/zinc/59/60/95/630596095.db2.gz UKVIWYFZOGRREI-GOSISDBHSA-N 1 0 289.419 3.129 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCN2CCC[C@H]2C)c1O ZINC000808698789 630666464 /nfs/dbraw/zinc/66/64/64/630666464.db2.gz VMLLHKFVVCFWSF-OLZOCXBDSA-N 1 0 296.842 3.489 20 10 CGCDRO Cc1ccc([C@H](O)[C@@H](C)[NH2+]Cc2cccc(C)c2O)cc1 ZINC000809701347 630785620 /nfs/dbraw/zinc/78/56/20/630785620.db2.gz DOZOHZJCGLFSFN-RDTXWAMCSA-N 1 0 285.387 3.221 20 10 CGCDRO Cc1ccc([C@@H](O)[C@@H](C)[NH2+]Cc2cc(F)ccc2O)cc1 ZINC000809701814 630785748 /nfs/dbraw/zinc/78/57/48/630785748.db2.gz LZFQRQYMWVAVCQ-PXAZEXFGSA-N 1 0 289.350 3.051 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCC[C@H]2c2cccnc2)c1O ZINC000809728961 630794044 /nfs/dbraw/zinc/79/40/44/630794044.db2.gz NBKDRYGJRJVDEJ-INIZCTEOSA-N 1 0 268.360 3.433 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccc(O)cc2)cc1F ZINC000809753583 630800794 /nfs/dbraw/zinc/80/07/94/630800794.db2.gz LQISPPICPZKSMR-UHFFFAOYSA-N 1 0 288.366 3.229 20 10 CGCDRO CCOc1cccc(C[N@H+](C)[C@@H](CC)CSC)c1O ZINC000809766893 630802052 /nfs/dbraw/zinc/80/20/52/630802052.db2.gz BNGONFKJOROEOD-ZDUSSCGKSA-N 1 0 283.437 3.364 20 10 CGCDRO CCCN(CC)C[C@@H](C)[NH2+]Cc1cc(C)c(C)cc1O ZINC000810180474 630851180 /nfs/dbraw/zinc/85/11/80/630851180.db2.gz YXSIRGJABNGOLX-OAHLLOKOSA-N 1 0 278.440 3.219 20 10 CGCDRO CCCN(CC)C[C@@H](C)[NH2+][C@H](C)c1ccc(C)cc1O ZINC000810261278 630861576 /nfs/dbraw/zinc/86/15/76/630861576.db2.gz IUAKAQZYUWNTLT-HUUCEWRRSA-N 1 0 278.440 3.472 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)cc1C ZINC000811510874 631079800 /nfs/dbraw/zinc/07/98/00/631079800.db2.gz QNJDXXKQTWQASK-IAGOWNOFSA-N 1 0 289.419 3.398 20 10 CGCDRO CC[N@H+](Cc1ccc(N2CCCCC2)cc1)[C@@H]1CCOC1 ZINC000812780677 631306960 /nfs/dbraw/zinc/30/69/60/631306960.db2.gz NJCVTFHNFHTFDS-GOSISDBHSA-N 1 0 288.435 3.288 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(F)ccc2O)c1 ZINC000813330651 631410081 /nfs/dbraw/zinc/41/00/81/631410081.db2.gz BUZZKNTVNWAVPK-SNVBAGLBSA-N 1 0 291.322 3.096 20 10 CGCDRO Cc1cccc(C[N@@H+]2Cc3ccccc3O[C@@H](C)C2)c1O ZINC000814177769 631538449 /nfs/dbraw/zinc/53/84/49/631538449.db2.gz OKQQNEXLSIBSCQ-AWEZNQCLSA-N 1 0 283.371 3.484 20 10 CGCDRO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000815017123 631703437 /nfs/dbraw/zinc/70/34/37/631703437.db2.gz GJZCJFVYBDHYGL-HOCLYGCPSA-N 1 0 276.424 3.060 20 10 CGCDRO Cc1cc(C[N@H+](CCCO)CC(C)(C)C)ccc1N(C)C ZINC000815040659 631706473 /nfs/dbraw/zinc/70/64/73/631706473.db2.gz JEEXEXGAAUQKSV-UHFFFAOYSA-N 1 0 292.467 3.292 20 10 CGCDRO Cc1cc(CN2CCC[C@@H]([NH2+]C(C)C)C2)ccc1N(C)C ZINC000815070719 631711697 /nfs/dbraw/zinc/71/16/97/631711697.db2.gz ZZPKHKBTGMRVOO-QGZVFWFLSA-N 1 0 289.467 3.023 20 10 CGCDRO COc1cccc(O)c1C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000815151150 631731676 /nfs/dbraw/zinc/73/16/76/631731676.db2.gz VGROXTCBYZDHJV-GJZGRUSLSA-N 1 0 283.371 3.294 20 10 CGCDRO OC[C@@H](C[NH2+]Cc1cc(Cl)ccc1O)C1CCCCC1 ZINC000815150516 631731974 /nfs/dbraw/zinc/73/19/74/631731974.db2.gz HJNQEZWSSSCGFX-CQSZACIVSA-N 1 0 297.826 3.324 20 10 CGCDRO Cc1cc(C[N@@H+]2CCCO[C@@H](C(C)C)C2)ccc1N(C)C ZINC000815314720 631757003 /nfs/dbraw/zinc/75/70/03/631757003.db2.gz DPQOSRPVPAWETK-GOSISDBHSA-N 1 0 290.451 3.308 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@]2(C)CCCO2)c(O)c1 ZINC000815587444 631801252 /nfs/dbraw/zinc/80/12/52/631801252.db2.gz JUHVUFZFSLLAJO-CZUORRHYSA-N 1 0 263.381 3.229 20 10 CGCDRO CC[C@H](C[NH2+][C@H](C)c1c(C)cc(C)cc1O)OC ZINC000815628008 631808814 /nfs/dbraw/zinc/80/88/14/631808814.db2.gz PBJWBDUBXJYXJU-CHWSQXEVSA-N 1 0 251.370 3.085 20 10 CGCDRO CC[C@@H]([NH2+][C@H](C)c1cc[nH]c(=O)c1)c1ccccc1O ZINC000815642730 631810589 /nfs/dbraw/zinc/81/05/89/631810589.db2.gz KIRVAEYNIYKPCD-BXUZGUMPSA-N 1 0 272.348 3.295 20 10 CGCDRO CC[C@H](C)[C@](C)(O)C[NH2+]Cc1ccc2ccccc2c1O ZINC000816549206 632009239 /nfs/dbraw/zinc/00/92/39/632009239.db2.gz HPQZIGFPIWOVNZ-SCLBCKFNSA-N 1 0 287.403 3.432 20 10 CGCDRO C[C@H]1C[C@H](C[NH2+]Cc2ccc3ccccc3c2O)CCO1 ZINC000816560741 632013297 /nfs/dbraw/zinc/01/32/97/632013297.db2.gz YSLOARXUCXOGRI-UONOGXRCSA-N 1 0 285.387 3.450 20 10 CGCDRO C[N@H+](Cc1ccc2ccccc2c1O)[C@H]1CC[C@H](O)CC1 ZINC000816586408 632017986 /nfs/dbraw/zinc/01/79/86/632017986.db2.gz HBUNFRGLWUAQBA-WKILWMFISA-N 1 0 285.387 3.281 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@H](CCO)CC2)cc1 ZINC000817297705 632118954 /nfs/dbraw/zinc/11/89/54/632118954.db2.gz VEQBSGONWVCLBR-INIZCTEOSA-N 1 0 290.451 3.127 20 10 CGCDRO CC[C@H]1C[C@H]([NH2+]Cc2c(O)cc(C)cc2Cl)CCO1 ZINC000817414752 632145559 /nfs/dbraw/zinc/14/55/59/632145559.db2.gz JQQZHQWCFWGXQN-NEPJUHHUSA-N 1 0 283.799 3.401 20 10 CGCDRO CN(C)c1ccc([C@H](N)C[NH2+][C@@H]2CC[C@@H]2C(C)(C)C)cc1 ZINC000817941389 632240506 /nfs/dbraw/zinc/24/05/06/632240506.db2.gz JQARIVNWFGMCEI-GVDBMIGSSA-N 1 0 289.467 3.167 20 10 CGCDRO CN(C)c1ccc([C@H]([NH3+])CN[C@H]2CCCc3occc32)cc1 ZINC000817942241 632240543 /nfs/dbraw/zinc/24/05/43/632240543.db2.gz NEFMXYLMCZIPLU-SJORKVTESA-N 1 0 299.418 3.013 20 10 CGCDRO CC[C@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)C1CCCC1 ZINC000817940683 632240745 /nfs/dbraw/zinc/24/07/45/632240745.db2.gz GSCBXJWQNTUWKT-ROUUACIJSA-N 1 0 289.467 3.311 20 10 CGCDRO CN(C)c1ccc([C@H](N)C[NH2+][C@H]2CC[C@H]2C(C)(C)C)cc1 ZINC000817941391 632241179 /nfs/dbraw/zinc/24/11/79/632241179.db2.gz JQARIVNWFGMCEI-ZACQAIPSSA-N 1 0 289.467 3.167 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)NC[C@H]2CCCC[NH2+]2)c1O ZINC000817949803 632247103 /nfs/dbraw/zinc/24/71/03/632247103.db2.gz NFZXIYCRGYJVPK-WCQYABFASA-N 1 0 282.815 3.147 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCc2ccc(N)cc2)c(O)c1C ZINC000817957870 632253850 /nfs/dbraw/zinc/25/38/50/632253850.db2.gz QCVGFZORWZDIMQ-AWEZNQCLSA-N 1 0 284.403 3.485 20 10 CGCDRO CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000817959465 632254478 /nfs/dbraw/zinc/25/44/78/632254478.db2.gz RNFGHVYQRCZRIY-PRHODGIISA-N 1 0 291.222 3.333 20 10 CGCDRO CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000817959468 632254552 /nfs/dbraw/zinc/25/45/52/632254552.db2.gz RNFGHVYQRCZRIY-UFBFGSQYSA-N 1 0 291.222 3.333 20 10 CGCDRO CC[C@H]([NH2+][C@@H](CN)CC(C)C)c1ccc(C)cc1O ZINC000817959771 632254865 /nfs/dbraw/zinc/25/48/65/632254865.db2.gz UVVNLDZKFOUWQL-HIFRSBDPSA-N 1 0 264.413 3.115 20 10 CGCDRO CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000817958789 632255128 /nfs/dbraw/zinc/25/51/28/632255128.db2.gz MNHROKLXHLEQBD-BXKDBHETSA-N 1 0 290.329 3.045 20 10 CGCDRO CC[C@@H]([NH3+])CN[C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000817979056 632270074 /nfs/dbraw/zinc/27/00/74/632270074.db2.gz HSLKRWKIWOBYQS-NVXWUHKLSA-N 1 0 289.467 3.455 20 10 CGCDRO Cc1cc(N)cc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000817979359 632270658 /nfs/dbraw/zinc/27/06/58/632270658.db2.gz ALIXYOLWUTZEML-CQSZACIVSA-N 1 0 283.419 3.494 20 10 CGCDRO Cc1cc(Br)cc(C[NH2+][C@@H]2CC23CC3)c1O ZINC000822498030 632947404 /nfs/dbraw/zinc/94/74/04/632947404.db2.gz UKGKPQMUEKOWQM-LLVKDONJSA-N 1 0 282.181 3.105 20 10 CGCDRO Cc1cc(O)c(C[N@@H+](C)C[C@@](C)(O)c2ccccc2)cc1C ZINC000822516028 632953279 /nfs/dbraw/zinc/95/32/79/632953279.db2.gz HQDAOBXZEICWAE-LJQANCHMSA-N 1 0 299.414 3.349 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2CC[C@@H](OCC(C)C)C2)cc1C ZINC000120814464 632956711 /nfs/dbraw/zinc/95/67/11/632956711.db2.gz FHHBKYABSXZIFC-MRXNPFEDSA-N 1 0 277.408 3.256 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCCc3ncccc32)cc1F ZINC000866248094 633043930 /nfs/dbraw/zinc/04/39/30/633043930.db2.gz KRTXJABNRDFADB-KRWDZBQOSA-N 1 0 299.393 3.454 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2C[C@H](C)O[C@@H]2C)c(O)c1 ZINC000866445684 633136150 /nfs/dbraw/zinc/13/61/50/633136150.db2.gz ARYIDTDKPFLRJT-IGQOVBAYSA-N 1 0 263.381 3.226 20 10 CGCDRO C[C@H]([NH2+][C@@H](C)[C@H](O)C(F)(F)F)c1ccc(Cl)cc1O ZINC000866462962 633144598 /nfs/dbraw/zinc/14/45/98/633144598.db2.gz FGKMRBWDPDVUAI-HFJPGXAFSA-N 1 0 297.704 3.008 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccnc(F)c2)c2c1c(F)ccc2O ZINC000866473435 633148218 /nfs/dbraw/zinc/14/82/18/633148218.db2.gz NKLKWMQIIUSVBW-SKDRFNHKSA-N 1 0 290.313 3.404 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+][C@@H](C1CCC1)[C@H]1CCCO1)CC2 ZINC000866490985 633158882 /nfs/dbraw/zinc/15/88/82/633158882.db2.gz HEPMDJJOWNAIIK-KYJSFNMBSA-N 1 0 287.403 3.317 20 10 CGCDRO COC(C)(C)CC[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000866504810 633164896 /nfs/dbraw/zinc/16/48/96/633164896.db2.gz ODWADPGASOPESH-ZDUSSCGKSA-N 1 0 265.397 3.475 20 10 CGCDRO Cc1cnccc1C[NH2+]CCCSc1nccs1 ZINC000823937882 633170334 /nfs/dbraw/zinc/17/03/34/633170334.db2.gz MQTQTPROJDNRRW-UHFFFAOYSA-N 1 0 279.434 3.119 20 10 CGCDRO CC[C@H](C[C@@H](C)O)[NH2+][C@@H](CC)c1ccc(C)cc1O ZINC000866633949 633222288 /nfs/dbraw/zinc/22/22/88/633222288.db2.gz NCPNEZUQNYQKID-NFAWXSAZSA-N 1 0 265.397 3.291 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1CCCn2nccc21)c1ccc(C)cc1O ZINC000866633511 633222686 /nfs/dbraw/zinc/22/26/86/633222686.db2.gz JCYRNPIYTUDVMZ-HUUCEWRRSA-N 1 0 285.391 3.473 20 10 CGCDRO CC[C@H](C[C@H](C)O)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000866635890 633223727 /nfs/dbraw/zinc/22/37/27/633223727.db2.gz UUJCMEROQNDOHF-JBLDHEPKSA-N 1 0 271.788 3.246 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CC[C@H](O)C2CCCC2)c(O)c1 ZINC000866637534 633226142 /nfs/dbraw/zinc/22/61/42/633226142.db2.gz IFMSTRXSNPSDGB-CJNGLKHVSA-N 1 0 277.408 3.292 20 10 CGCDRO CCO[C@H]1CCC[N@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000824473604 633249106 /nfs/dbraw/zinc/24/91/06/633249106.db2.gz CYSVNHLSQYAHMU-ZDUSSCGKSA-N 1 0 283.799 3.355 20 10 CGCDRO COc1cccc(O)c1C[NH2+]C[C@@H]1CCCCC1(F)F ZINC000824544607 633257679 /nfs/dbraw/zinc/25/76/79/633257679.db2.gz ZOEPNAHRYUFGRP-NSHDSACASA-N 1 0 285.334 3.316 20 10 CGCDRO CCC[C@@H](C[NH2+]Cc1cc(Cl)cc(C)c1O)OC ZINC000824544003 633258407 /nfs/dbraw/zinc/25/84/07/633258407.db2.gz RUBKPASSBIXKEJ-ZDUSSCGKSA-N 1 0 271.788 3.259 20 10 CGCDRO Cc1ccc(C[NH+]2CCC(C(F)(F)F)CC2)c(O)c1 ZINC000876564747 634858925 /nfs/dbraw/zinc/85/89/25/634858925.db2.gz NYAHDAKRTASRBD-UHFFFAOYSA-N 1 0 273.298 3.475 20 10 CGCDRO CC[C@H]([NH2+]CC(O)(CC)CC)c1ccc(N(C)C)cc1 ZINC000121915136 633276717 /nfs/dbraw/zinc/27/67/17/633276717.db2.gz WBZMVYHKVIWFOX-INIZCTEOSA-N 1 0 278.440 3.344 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C[C@@]2(C)CC2(Cl)Cl)cc1 ZINC000824758098 633284239 /nfs/dbraw/zinc/28/42/39/633284239.db2.gz JIICHOKSFLDKJZ-CYBMUJFWSA-N 1 0 287.234 3.426 20 10 CGCDRO Cc1cc(O)c(C[N@H+](CCCCO)C2CC2)cc1Cl ZINC000824802504 633292844 /nfs/dbraw/zinc/29/28/44/633292844.db2.gz LQCXDZXLYDARIU-UHFFFAOYSA-N 1 0 283.799 3.091 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H](C(C)C)[C@@H](CO)C(C)C)c1 ZINC000824845168 633300296 /nfs/dbraw/zinc/30/02/96/633300296.db2.gz ILYFZMDDGQUOBE-RDJZCZTQSA-N 1 0 279.424 3.079 20 10 CGCDRO CC[N@H+](C)C[C@H]1CCN(Cc2cc(Cl)c(C)cc2O)C1 ZINC000824894763 633302466 /nfs/dbraw/zinc/30/24/66/633302466.db2.gz JPYNDALFSSDRMM-CYBMUJFWSA-N 1 0 296.842 3.128 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)cc1Cl ZINC000824895611 633303364 /nfs/dbraw/zinc/30/33/64/633303364.db2.gz ZZFNBCYEAIMAKT-STQMWFEESA-N 1 0 295.810 3.212 20 10 CGCDRO Cc1cccc(C[NH2+][C@H]2CCO[C@H](c3ccncc3)C2)c1O ZINC000824953419 633309840 /nfs/dbraw/zinc/30/98/40/633309840.db2.gz JNQZLXCEZDGSSD-IRXDYDNUSA-N 1 0 298.386 3.106 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCN3CCCC[C@H]23)cc1Cl ZINC000825114665 633330105 /nfs/dbraw/zinc/33/01/05/633330105.db2.gz UWLBONUNCFHOBE-HUUCEWRRSA-N 1 0 294.826 3.070 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CC2(O)CCCCC2)cc1Cl ZINC000825191101 633335159 /nfs/dbraw/zinc/33/51/59/633335159.db2.gz VMAGECQHFRXZEG-UHFFFAOYSA-N 1 0 283.799 3.139 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000825215810 633336271 /nfs/dbraw/zinc/33/62/71/633336271.db2.gz XDNLLNMREWSXFY-HNNXBMFYSA-N 1 0 263.406 3.111 20 10 CGCDRO COc1ccc(C[NH2+]CC(C)(C)C2(O)CCCC2)cc1C ZINC000825231999 633338098 /nfs/dbraw/zinc/33/80/98/633338098.db2.gz KBENFRJAIZWPSC-UHFFFAOYSA-N 1 0 291.435 3.425 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCOC(C)(C)C2)cc1Cl ZINC000825384596 633351104 /nfs/dbraw/zinc/35/11/04/633351104.db2.gz GBWYPQUSWVXMIH-GFCCVEGCSA-N 1 0 283.799 3.401 20 10 CGCDRO CO[C@H]1CCC[C@@H]1C[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825406663 633353349 /nfs/dbraw/zinc/35/33/49/633353349.db2.gz WQRIOCHAFALSRV-ABAIWWIYSA-N 1 0 283.799 3.259 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CC(C)(C)C(C)(C)O)cc1Cl ZINC000826100937 633405333 /nfs/dbraw/zinc/40/53/33/633405333.db2.gz YIUKTAGIMUCGBR-UHFFFAOYSA-N 1 0 285.815 3.241 20 10 CGCDRO CCN(CC)c1ccc(C[NH+]2CC(CCOC)C2)cc1F ZINC000826899742 633441742 /nfs/dbraw/zinc/44/17/42/633441742.db2.gz UKPMIMSCCMEDML-UHFFFAOYSA-N 1 0 294.414 3.140 20 10 CGCDRO CCC(C)(C)[C@H](C)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000826910446 633443256 /nfs/dbraw/zinc/44/32/56/633443256.db2.gz IBIBSPHRCWMSHC-NSHDSACASA-N 1 0 281.396 3.324 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2C[C@]3(C)COC[C@]3(C)C2)c(Cl)c1 ZINC000827017440 633448796 /nfs/dbraw/zinc/44/87/96/633448796.db2.gz CXEFCNIPELHYHD-IYBDPMFKSA-N 1 0 295.810 3.212 20 10 CGCDRO OC[C@@H](C[NH2+]Cc1ccc2ccccc2c1O)CC1CC1 ZINC000827359121 633484555 /nfs/dbraw/zinc/48/45/55/633484555.db2.gz JGOZXVTVAACHKO-CQSZACIVSA-N 1 0 285.387 3.044 20 10 CGCDRO COC(C)(C)C[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000122715831 633495333 /nfs/dbraw/zinc/49/53/33/633495333.db2.gz VFGOYQLAODOWGR-AWEZNQCLSA-N 1 0 278.440 3.354 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@@H]2C(C)(C)C2(F)F)c1O ZINC000827511728 633495513 /nfs/dbraw/zinc/49/55/13/633495513.db2.gz YLIBWTLDCZFZGM-GFCCVEGCSA-N 1 0 269.335 3.336 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)cc1 ZINC000827595825 633502189 /nfs/dbraw/zinc/50/21/89/633502189.db2.gz RDANCLIIZCHAEG-SJORKVTESA-N 1 0 288.435 3.001 20 10 CGCDRO CCc1cc(NCCCSc2nccs2)cc[nH+]1 ZINC000827624157 633504242 /nfs/dbraw/zinc/50/42/42/633504242.db2.gz WPYAWDDKTPMIJU-UHFFFAOYSA-N 1 0 279.434 3.117 20 10 CGCDRO CCC[N@H+](CCC[C@H]1CCOC1)Cc1ccccc1O ZINC000827959251 633540643 /nfs/dbraw/zinc/54/06/43/633540643.db2.gz OWMZMQCNCSOMOJ-HNNXBMFYSA-N 1 0 277.408 3.421 20 10 CGCDRO C[C@H](c1ccccc1)[C@@H](O)C[NH2+][C@@H](C)c1ccccc1O ZINC000828655365 633640609 /nfs/dbraw/zinc/64/06/09/633640609.db2.gz BIOCAROHMHKQAR-GLJUWKHASA-N 1 0 285.387 3.207 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1)c1ccccc1O ZINC000872109065 634033110 /nfs/dbraw/zinc/03/31/10/634033110.db2.gz GQMNTKGTWUZQDO-RPCCPQHDSA-N 1 0 275.392 3.391 20 10 CGCDRO CC(C)OC1(C[NH2+][C@@H]2CCc3cccc(O)c32)CCC1 ZINC000872115887 634041270 /nfs/dbraw/zinc/04/12/70/634041270.db2.gz MWMLLENPUAJQKT-CQSZACIVSA-N 1 0 275.392 3.317 20 10 CGCDRO Cc1ccc(OCC[NH2+][C@@H]2CCc3cccc(O)c32)cc1 ZINC000834492494 634173326 /nfs/dbraw/zinc/17/33/26/634173326.db2.gz VYBKQCDLQWLGNP-MRXNPFEDSA-N 1 0 283.371 3.357 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]CCc1ccc(F)cc1F)CC2 ZINC000834581661 634189494 /nfs/dbraw/zinc/18/94/94/634189494.db2.gz HFTRCOKTSONDPF-HNNXBMFYSA-N 1 0 289.325 3.490 20 10 CGCDRO CC(C)Cn1ccnc1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834602096 634195784 /nfs/dbraw/zinc/19/57/84/634195784.db2.gz JDYRDRHVJZNCQE-AWEZNQCLSA-N 1 0 285.391 3.022 20 10 CGCDRO Cc1ccc2[nH]c(C[NH2+][C@H]3CCc4cccc(O)c43)nc2c1 ZINC000834613114 634198098 /nfs/dbraw/zinc/19/80/98/634198098.db2.gz ZOMAHKZTGHBGDF-AWEZNQCLSA-N 1 0 293.370 3.354 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@@H](C)[C@H]2CCOC2)cc1C ZINC000873061440 634239776 /nfs/dbraw/zinc/23/97/76/634239776.db2.gz JTIBCFLCJFABMA-HOCLYGCPSA-N 1 0 277.408 3.298 20 10 CGCDRO COc1ccc(C[NH2+][C@H](C)C2CCC2)cc1Cn1cccn1 ZINC000873097969 634246307 /nfs/dbraw/zinc/24/63/07/634246307.db2.gz GZEDSMYCJYZJDY-CQSZACIVSA-N 1 0 299.418 3.218 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCn2ccnc21)c1ccc(N(C)C)cc1 ZINC000834835293 634252889 /nfs/dbraw/zinc/25/28/89/634252889.db2.gz HDPCXFLVLLIRLU-JKSUJKDBSA-N 1 0 284.407 3.135 20 10 CGCDRO CCCOc1ccc(C[NH2+]Cc2ccc[nH]c2=O)cc1C ZINC000873144202 634257588 /nfs/dbraw/zinc/25/75/88/634257588.db2.gz CQJVZBIRXAVHEU-UHFFFAOYSA-N 1 0 286.375 3.174 20 10 CGCDRO CC[C@@H]([NH2+]Cc1nccn1CC)c1ccc(N(C)C)cc1 ZINC000834880102 634263894 /nfs/dbraw/zinc/26/38/94/634263894.db2.gz JMBCRWSXPPXWIF-MRXNPFEDSA-N 1 0 286.423 3.210 20 10 CGCDRO CC(C)[C@@H]1C[C@H](C[NH2+][C@@H]2CCc3cccc(O)c32)CCO1 ZINC000834884841 634266698 /nfs/dbraw/zinc/26/66/98/634266698.db2.gz DBOYHNBIEQYSNZ-UNEWFSDZSA-N 1 0 289.419 3.420 20 10 CGCDRO CCC1(C[NH2+][C@H](C)c2ccc(C)c(C)c2O)COC1 ZINC000834900656 634278104 /nfs/dbraw/zinc/27/81/04/634278104.db2.gz QZSBBBRRRVCKKJ-CYBMUJFWSA-N 1 0 263.381 3.086 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cc(C)ccc1O)[C@H](O)c1ccccc1 ZINC000873194592 634278897 /nfs/dbraw/zinc/27/88/97/634278897.db2.gz UMQXQNKDRWKETF-SJLPKXTDSA-N 1 0 285.387 3.302 20 10 CGCDRO CCO[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1cc(F)ccc1O ZINC000834914521 634286096 /nfs/dbraw/zinc/28/60/96/634286096.db2.gz VEQZQGBBYDQBTA-WDBKCZKBSA-N 1 0 267.344 3.140 20 10 CGCDRO CC[C@H]([NH2+]C[C@H]1CC[C@H](C)O1)c1ccc(N(C)C)cc1 ZINC000834915249 634286124 /nfs/dbraw/zinc/28/61/24/634286124.db2.gz PJQHZBLMQLQCAQ-XKQJLSEDSA-N 1 0 276.424 3.361 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1CC[C@@H](C)O1)c1cc(Cl)ccc1O ZINC000834914496 634286688 /nfs/dbraw/zinc/28/66/88/634286688.db2.gz FXTDWGLBHXSFRU-CKYFFXLPSA-N 1 0 269.772 3.264 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH+]2C3CCC2CC3)cc1 ZINC000835025963 634324490 /nfs/dbraw/zinc/32/44/90/634324490.db2.gz PCGMMTDEOMHAGD-ONEGZZNKSA-N 1 0 256.393 3.393 20 10 CGCDRO CCOC[C@@H]1CC[N@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835030016 634326143 /nfs/dbraw/zinc/32/61/43/634326143.db2.gz YTZVTYHALZMAFX-KEGWNNHHSA-N 1 0 288.435 3.124 20 10 CGCDRO CSCCC[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835039164 634328816 /nfs/dbraw/zinc/32/88/16/634328816.db2.gz CACCHCVFVZTZPB-XQRVVYSFSA-N 1 0 264.438 3.109 20 10 CGCDRO C[C@@H]([NH2+]C/C=C\c1ccc(N(C)C)cc1)c1ccc[nH]1 ZINC000835042068 634330724 /nfs/dbraw/zinc/33/07/24/634330724.db2.gz QQLFQRAZHJEVNI-KXQLTZBTSA-N 1 0 269.392 3.445 20 10 CGCDRO CCSCCC[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835050574 634336211 /nfs/dbraw/zinc/33/62/11/634336211.db2.gz UXYGTTNOKUVKQA-FNORWQNLSA-N 1 0 278.465 3.499 20 10 CGCDRO CCC[C@H](C[NH2+]C/C=C/c1ccc(N(C)C)cc1)OC ZINC000835054692 634337873 /nfs/dbraw/zinc/33/78/73/634337873.db2.gz MENNXNZIIOGJEL-DBWMJRBXSA-N 1 0 276.424 3.171 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+]CCCCF)cc1 ZINC000835056624 634340334 /nfs/dbraw/zinc/34/03/34/634340334.db2.gz WGJPLOURFPXECI-AATRIKPKSA-N 1 0 250.361 3.105 20 10 CGCDRO COCC(C)(C)C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835056574 634341128 /nfs/dbraw/zinc/34/11/28/634341128.db2.gz VWYHASIAGCUVPX-VOTSOKGWSA-N 1 0 276.424 3.028 20 10 CGCDRO Cc1ccc(CC[NH2+]Cc2cc(Cl)cc(C)c2O)nc1 ZINC000835065402 634342573 /nfs/dbraw/zinc/34/25/73/634342573.db2.gz NGPMWVLXLCSUCD-UHFFFAOYSA-N 1 0 290.794 3.390 20 10 CGCDRO Cc1ccc(C[N@@H+](Cc2ccccc2)C[C@H](C)O)c(O)c1 ZINC000876618904 634868687 /nfs/dbraw/zinc/86/86/87/634868687.db2.gz IRKSQXMZXZUWGK-HNNXBMFYSA-N 1 0 285.387 3.084 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c(O)c1 ZINC000876756238 634893003 /nfs/dbraw/zinc/89/30/03/634893003.db2.gz PJSNSZHHRMMZQJ-KRWDZBQOSA-N 1 0 288.435 3.151 20 10 CGCDRO Cc1ccc(C[NH2+][C@H](C)Cc2cccs2)c(O)c1 ZINC000876917495 634928822 /nfs/dbraw/zinc/92/88/22/634928822.db2.gz UNHZXBSXGGABRP-GFCCVEGCSA-N 1 0 261.390 3.483 20 10 CGCDRO CCC(C)(CC)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877035582 634958339 /nfs/dbraw/zinc/95/83/39/634958339.db2.gz YBMCQLRBEYRQNF-UHFFFAOYSA-N 1 0 290.451 3.316 20 10 CGCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2c(C)cccc2O)C12CCC2 ZINC000877043628 634961665 /nfs/dbraw/zinc/96/16/65/634961665.db2.gz MACSCDQXCNFCKW-HZPDHXFCSA-N 1 0 275.392 3.138 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]C[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC000877089448 634981492 /nfs/dbraw/zinc/98/14/92/634981492.db2.gz PZHAODOMERPATN-WDYCEAGBSA-N 1 0 279.383 3.376 20 10 CGCDRO Cc1ccc(C[NH2+]C[C@H](C[C@@H](C)O)c2ccccc2)c(O)c1 ZINC000877093303 634982117 /nfs/dbraw/zinc/98/21/17/634982117.db2.gz HXRKACGIMITRPJ-QAPCUYQASA-N 1 0 299.414 3.345 20 10 CGCDRO COc1cc(C)cc(C[NH2+]Cc2c(C)cccc2O)c1 ZINC000877114270 634988411 /nfs/dbraw/zinc/98/84/11/634988411.db2.gz XDZJKSSHWFFGHY-UHFFFAOYSA-N 1 0 271.360 3.307 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)c(O)c1 ZINC000877123090 634991367 /nfs/dbraw/zinc/99/13/67/634991367.db2.gz GKBOBLWPHDEBJZ-GDBMZVCRSA-N 1 0 277.408 3.384 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H]2CCN(C)[C@@H]2c2ccccc2)c(O)c1 ZINC000877129122 634994330 /nfs/dbraw/zinc/99/43/30/634994330.db2.gz YPEQULYSVJOYRM-IEBWSBKVSA-N 1 0 296.414 3.236 20 10 CGCDRO Cc1cccc(O)c1C[NH2+][C@H]1CCO[C@H](CC(C)C)C1 ZINC000877141530 634999534 /nfs/dbraw/zinc/99/95/34/634999534.db2.gz JLGZNGBULLZPAO-LSDHHAIUSA-N 1 0 277.408 3.384 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]C[C@H](c1ccccc1)N(C)C ZINC000877142526 635000503 /nfs/dbraw/zinc/00/05/03/635000503.db2.gz RIMRQMAVCNSXGZ-QGZVFWFLSA-N 1 0 284.403 3.093 20 10 CGCDRO CCSc1cc(C[NH2+]Cc2c(C)cccc2O)ccn1 ZINC000877438589 635041653 /nfs/dbraw/zinc/04/16/53/635041653.db2.gz LIQLLNTYKXYKEN-UHFFFAOYSA-N 1 0 288.416 3.497 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000877477348 635051156 /nfs/dbraw/zinc/05/11/56/635051156.db2.gz BGYVVJCJYFVOBN-NSHDSACASA-N 1 0 273.298 3.475 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](C)c1ccn(C)n1)c1ccc(N(C)C)cc1 ZINC000840818422 635058647 /nfs/dbraw/zinc/05/86/47/635058647.db2.gz XUSQHYJLENXJQY-XJKSGUPXSA-N 1 0 286.423 3.288 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](C)CCOC)c1ccccc1O ZINC000840835786 635060856 /nfs/dbraw/zinc/06/08/56/635060856.db2.gz QNQNRQCUQFNSGY-JSGCOSHPSA-N 1 0 251.370 3.106 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000877500074 635062005 /nfs/dbraw/zinc/06/20/05/635062005.db2.gz AYMZGQVBUFFAAJ-AWEZNQCLSA-N 1 0 268.360 3.085 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]CCC1C[C@H](C)O[C@@H](C)C1 ZINC000877504564 635065101 /nfs/dbraw/zinc/06/51/01/635065101.db2.gz HGEKOIHSDYMWTG-KBPBESRZSA-N 1 0 277.408 3.384 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCCC[C@@H]2c2cc[nH]n2)c(O)c1 ZINC000877515724 635067573 /nfs/dbraw/zinc/06/75/73/635067573.db2.gz NSJANOKWSHAAGH-OAHLLOKOSA-N 1 0 271.364 3.151 20 10 CGCDRO COc1ncccc1C[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840873625 635070471 /nfs/dbraw/zinc/07/04/71/635070471.db2.gz CRSWGPLLUWCFEM-UHFFFAOYSA-N 1 0 292.766 3.047 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2F)c1 ZINC000840876206 635070851 /nfs/dbraw/zinc/07/08/51/635070851.db2.gz ONTDKMIBVJLGFA-LERXQTSPSA-N 1 0 267.344 3.332 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCC[C@@H](CO)C1)c1ccc(C)cc1O ZINC000840893879 635077196 /nfs/dbraw/zinc/07/71/96/635077196.db2.gz LYJRZDSMIUEDLW-YCPHGPKFSA-N 1 0 277.408 3.292 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000840893503 635077467 /nfs/dbraw/zinc/07/74/67/635077467.db2.gz KCSPNFOYWPDOEL-LUXYFRNMSA-N 1 0 290.451 3.148 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000877540455 635079914 /nfs/dbraw/zinc/07/99/14/635079914.db2.gz ZNTKJOUKTGKENF-HOTGVXAUSA-N 1 0 275.392 3.090 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@H+](C)Cc1ccco1 ZINC000840909270 635079940 /nfs/dbraw/zinc/07/99/40/635079940.db2.gz FRZPIOGAZQDMIZ-UHFFFAOYSA-N 1 0 258.365 3.286 20 10 CGCDRO CO[C@@H](C)C[N@H+](Cc1ccc(N(C)C)cc1C)C(C)C ZINC000840918525 635082234 /nfs/dbraw/zinc/08/22/34/635082234.db2.gz VACLHFQXGVPEDC-HNNXBMFYSA-N 1 0 278.440 3.306 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](CO)c1ccccc1C ZINC000840935176 635084820 /nfs/dbraw/zinc/08/48/20/635084820.db2.gz HPNRRRVPOFJUCA-IBGZPJMESA-N 1 0 298.430 3.193 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@H+](C)[C@@H](CO)c1ccccc1 ZINC000840951133 635091069 /nfs/dbraw/zinc/09/10/69/635091069.db2.gz SQEOAANWKHEHAA-IBGZPJMESA-N 1 0 298.430 3.226 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@]2(C)CCCO)c(Cl)c1 ZINC000840948737 635091273 /nfs/dbraw/zinc/09/12/73/635091273.db2.gz JTXQFHNIUUGVHH-MRXNPFEDSA-N 1 0 297.826 3.481 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)c(O)c1 ZINC000877568887 635096170 /nfs/dbraw/zinc/09/61/70/635096170.db2.gz DALCOLALENTOGK-AEFFLSMTSA-N 1 0 298.386 3.106 20 10 CGCDRO COC1([C@H](C)[NH2+]Cc2cc(C)c(C)cc2O)CCC1 ZINC000840969581 635097071 /nfs/dbraw/zinc/09/70/71/635097071.db2.gz JEUHILCWLFKXAE-ZDUSSCGKSA-N 1 0 263.381 3.056 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]C[C@H]1CCC=CO1 ZINC000840975097 635098216 /nfs/dbraw/zinc/09/82/16/635098216.db2.gz DCSWIXBLUKIICC-CRAIPNDOSA-N 1 0 288.435 3.274 20 10 CGCDRO Cc1cc(C)c(C[NH2+]Cc2c(C)cccc2O)cn1 ZINC000877575483 635099255 /nfs/dbraw/zinc/09/92/55/635099255.db2.gz WCINMUHCSBHCTQ-UHFFFAOYSA-N 1 0 256.349 3.002 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]CCC[C@H]1CCO1 ZINC000877592538 635104903 /nfs/dbraw/zinc/10/49/03/635104903.db2.gz QCEFXXDPDUOUMG-YJBOKZPZSA-N 1 0 290.451 3.151 20 10 CGCDRO Cc1ccc(C[N@H+]2CCC[C@H](OC(C)C)C2)c(O)c1 ZINC000877609513 635110319 /nfs/dbraw/zinc/11/03/19/635110319.db2.gz BLVGYDNNMQLJNX-HNNXBMFYSA-N 1 0 263.381 3.090 20 10 CGCDRO Cc1ccc(C[NH2+]CCc2ccc(N)cc2)c(C)c1 ZINC000841034441 635110305 /nfs/dbraw/zinc/11/03/05/635110305.db2.gz BDTSCOIWMZNAHC-UHFFFAOYSA-N 1 0 254.377 3.218 20 10 CGCDRO CC(C)(C)c1ncc(C[NH2+]CCc2ccc(N)cc2)s1 ZINC000841036935 635111042 /nfs/dbraw/zinc/11/10/42/635111042.db2.gz QMHBEICGYRVLLJ-UHFFFAOYSA-N 1 0 289.448 3.355 20 10 CGCDRO CC(C)Oc1ccc(C[NH2+]CCc2ccc(N)cc2)cc1 ZINC000841036410 635111456 /nfs/dbraw/zinc/11/14/56/635111456.db2.gz NDRCWPWVBZWPGJ-UHFFFAOYSA-N 1 0 284.403 3.388 20 10 CGCDRO C[NH2+]Cc1ccccc1NCc1cc(C)ccc1O ZINC000841041816 635113277 /nfs/dbraw/zinc/11/32/77/635113277.db2.gz ARBHNBIRGNHRLY-UHFFFAOYSA-N 1 0 256.349 3.032 20 10 CGCDRO Cc1cccc(O)c1C[NH2+][C@H]1CCN(C2CCCCC2)C1 ZINC000877630502 635121448 /nfs/dbraw/zinc/12/14/48/635121448.db2.gz KCKJQSAJGQNSHU-HNNXBMFYSA-N 1 0 288.435 3.197 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)c(O)c1 ZINC000877641199 635127476 /nfs/dbraw/zinc/12/74/76/635127476.db2.gz WJLJDZPIMCYTGC-BPQIPLTHSA-N 1 0 283.346 3.268 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]Cc1cnccc1C(F)(F)F ZINC000877644517 635129710 /nfs/dbraw/zinc/12/97/10/635129710.db2.gz WYEHACFJMFCQBH-UHFFFAOYSA-N 1 0 296.292 3.404 20 10 CGCDRO COc1ccc(F)c(C[NH2+]Cc2c(C)cccc2O)c1 ZINC000877647390 635130097 /nfs/dbraw/zinc/13/00/97/635130097.db2.gz QIMLUXZQTINJNS-UHFFFAOYSA-N 1 0 275.323 3.138 20 10 CGCDRO COc1cccc2c1C[N@H+](Cc1ccc(C)cc1O)C2 ZINC000877656888 635134339 /nfs/dbraw/zinc/13/43/39/635134339.db2.gz CVGNBVXQJZQORK-UHFFFAOYSA-N 1 0 269.344 3.225 20 10 CGCDRO Oc1ccc(F)cc1C[NH+]1CCC(CCF)CC1 ZINC000877673599 635141124 /nfs/dbraw/zinc/14/11/24/635141124.db2.gz GWSORVBRVSIQLZ-UHFFFAOYSA-N 1 0 255.308 3.103 20 10 CGCDRO CC[C@H]1C[C@@H](C[NH2+][C@@H](C)c2ccccc2O)CCO1 ZINC000877757094 635186237 /nfs/dbraw/zinc/18/62/37/635186237.db2.gz FTWKMOUGNKCIDA-IHRRRGAJSA-N 1 0 263.381 3.248 20 10 CGCDRO C[C@H]([NH2+]Cc1cnc(C2CC2)o1)c1ccccc1O ZINC000877757991 635187229 /nfs/dbraw/zinc/18/72/29/635187229.db2.gz CAXDINGKPPVXTP-JTQLQIEISA-N 1 0 258.321 3.108 20 10 CGCDRO COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccccc2O)[C@H]1C ZINC000877757978 635187484 /nfs/dbraw/zinc/18/74/84/635187484.db2.gz BMEGREYUNLGWEZ-ABHRYQDASA-N 1 0 291.391 3.021 20 10 CGCDRO COC(=O)C[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2ccccc2O)[C@@H]1C ZINC000877757981 635187635 /nfs/dbraw/zinc/18/76/35/635187635.db2.gz BMEGREYUNLGWEZ-UKTARXLSSA-N 1 0 291.391 3.021 20 10 CGCDRO CCOc1cncc(C[NH2+][C@@H](C)c2ccccc2O)c1 ZINC000877757949 635187789 /nfs/dbraw/zinc/18/77/89/635187789.db2.gz AIZZGLPFQKIWRN-LBPRGKRZSA-N 1 0 272.348 3.037 20 10 CGCDRO CC[C@H](C)N(C)CC[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841745762 635222329 /nfs/dbraw/zinc/22/23/29/635222329.db2.gz AJAJSYPUASYLGR-NWDGAFQWSA-N 1 0 284.831 3.427 20 10 CGCDRO CCc1ncc(C[NH2+][C@@H](C)c2ccc(Cl)cc2O)o1 ZINC000841758623 635230973 /nfs/dbraw/zinc/23/09/73/635230973.db2.gz UDVVSVLUNGBKGG-VIFPVBQESA-N 1 0 280.755 3.447 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCSC[C@@H]2C2CCC2)c1O ZINC000841893490 635248551 /nfs/dbraw/zinc/24/85/51/635248551.db2.gz KSVFMPKEMMIMMY-OAHLLOKOSA-N 1 0 277.433 3.418 20 10 CGCDRO CC[N@H+](CCSC)Cc1cc(C)c(C)cc1O ZINC000842643278 635426230 /nfs/dbraw/zinc/42/62/30/635426230.db2.gz BATGETNULVSVIZ-UHFFFAOYSA-N 1 0 253.411 3.194 20 10 CGCDRO C[N@@H+](Cc1ccccc1O)C[C@H]1CC(C)(C)OC1(C)C ZINC000878242593 635428484 /nfs/dbraw/zinc/42/84/84/635428484.db2.gz SLVHCAQMRJGKIL-CQSZACIVSA-N 1 0 277.408 3.418 20 10 CGCDRO COCC1(CC[NH2+]Cc2c(O)cc(C)cc2Cl)CC1 ZINC000842728760 635451707 /nfs/dbraw/zinc/45/17/07/635451707.db2.gz IODRLRIQMWHUEV-UHFFFAOYSA-N 1 0 283.799 3.260 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]CC2CCC(F)CC2)c1 ZINC000842774453 635468577 /nfs/dbraw/zinc/46/85/77/635468577.db2.gz HAILQFJQBDHZBM-UHFFFAOYSA-N 1 0 281.371 3.409 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CC3(CCC3)CO2)c1 ZINC000878360563 635474146 /nfs/dbraw/zinc/47/41/46/635474146.db2.gz OVYUWNJAMCLTLV-GXTWGEPZSA-N 1 0 291.391 3.011 20 10 CGCDRO C[C@H]([NH2+][C@H]1C[C@@H](OC(C)(C)C)C1)c1ccccc1O ZINC000842921715 635511714 /nfs/dbraw/zinc/51/17/14/635511714.db2.gz KADOKLRGILUONP-RWMBFGLXSA-N 1 0 263.381 3.389 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CO[C@H](C)C1)c1cc2c(cc1O)CCCC2 ZINC000842929771 635515102 /nfs/dbraw/zinc/51/51/02/635515102.db2.gz UOWILKYWXXFKSC-JMSVASOKSA-N 1 0 275.392 3.099 20 10 CGCDRO Cc1cc(O)c(CN2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cc1C ZINC000843048158 635550412 /nfs/dbraw/zinc/55/04/12/635550412.db2.gz QJGYSSMCQMPQLG-IAGOWNOFSA-N 1 0 288.435 3.116 20 10 CGCDRO c1cc(N2CCCCC2)ccc1CN(C1CC1)[C@H]1CC[NH2+]C1 ZINC000843055181 635551395 /nfs/dbraw/zinc/55/13/95/635551395.db2.gz GAIRZCPFFGLDND-IBGZPJMESA-N 1 0 299.462 3.003 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]C[C@@H]1CCCCS1 ZINC000127351641 635632220 /nfs/dbraw/zinc/63/22/20/635632220.db2.gz QAPRJJGYBJGLKW-JTQLQIEISA-N 1 0 271.813 3.421 20 10 CGCDRO COc1ccc(N(Cc2ccccc2)C[C@H](C)[NH3+])cc1 ZINC000843357923 635653971 /nfs/dbraw/zinc/65/39/71/635653971.db2.gz TZOULURYUBGHPP-AWEZNQCLSA-N 1 0 270.376 3.049 20 10 CGCDRO Cc1cccc(C[NH+]2CC(C)(CC(F)F)C2)c1O ZINC000843424860 635669995 /nfs/dbraw/zinc/66/99/95/635669995.db2.gz NEQROUGGBVJTGQ-UHFFFAOYSA-N 1 0 255.308 3.178 20 10 CGCDRO CCCCCC[C@H](O)C[NH2+][C@H](C)c1ccccc1O ZINC000879649512 635826429 /nfs/dbraw/zinc/82/64/29/635826429.db2.gz VMDOUHWMZCUPJK-KGLIPLIRSA-N 1 0 265.397 3.374 20 10 CGCDRO CCc1ccc(C[NH2+][C@@H](C)c2ccccc2O)nc1 ZINC000879650087 635826956 /nfs/dbraw/zinc/82/69/56/635826956.db2.gz HVUKPGQGFIBXMB-LBPRGKRZSA-N 1 0 256.349 3.200 20 10 CGCDRO C[C@H]([NH2+]CCC(=O)OCc1ccccc1)c1ccccc1O ZINC000879650909 635827768 /nfs/dbraw/zinc/82/77/68/635827768.db2.gz WJNNXEOEAOQZBD-AWEZNQCLSA-N 1 0 299.370 3.176 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)c1 ZINC000844758528 635959447 /nfs/dbraw/zinc/95/94/47/635959447.db2.gz JJPJWGYZTSBBRO-CQSZACIVSA-N 1 0 267.319 3.240 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CNc3ccccc3C2)c1 ZINC000844921554 635984249 /nfs/dbraw/zinc/98/42/49/635984249.db2.gz PLTQWHLHQRSGDG-HIFRSBDPSA-N 1 0 282.387 3.388 20 10 CGCDRO C[NH+](C)CCC[N@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000211405664 636081285 /nfs/dbraw/zinc/08/12/85/636081285.db2.gz QXZZGYVIPVUCCZ-UHFFFAOYSA-N 1 0 291.222 3.083 20 10 CGCDRO CC[C@@]1(C)CCC[C@H]1[NH2+]Cc1cc(OC)ccc1O ZINC000845935784 636120368 /nfs/dbraw/zinc/12/03/68/636120368.db2.gz BKOPOFKDICCQDJ-CVEARBPZSA-N 1 0 263.381 3.459 20 10 CGCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCC12CCCC2 ZINC000845998535 636127654 /nfs/dbraw/zinc/12/76/54/636127654.db2.gz CKPNOQJQRPJQIS-UHFFFAOYSA-N 1 0 286.419 3.042 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+][C@H](C)COCC2CC2)c1O ZINC000846074023 636141639 /nfs/dbraw/zinc/14/16/39/636141639.db2.gz VTQLFQNXWUIMFU-LLVKDONJSA-N 1 0 283.799 3.259 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)Cc2ccco2)c1O ZINC000846139566 636148860 /nfs/dbraw/zinc/14/88/60/636148860.db2.gz VYUXUNOPLFHPTE-NWDGAFQWSA-N 1 0 275.348 3.276 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]C[C@H](CCO)CC(C)C)c1O ZINC000846148574 636149649 /nfs/dbraw/zinc/14/96/49/636149649.db2.gz QZDCLXDXNPGODS-ZIAGYGMSSA-N 1 0 295.423 3.096 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@H]2CC[C@H](SC)C2)c1O ZINC000846148667 636149761 /nfs/dbraw/zinc/14/97/61/636149761.db2.gz SWHOTEHMNOHEPG-SRVKXCTJSA-N 1 0 281.421 3.336 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)c1cccc(OC)c1O)[C@@H]1CCCO1 ZINC000846155629 636150441 /nfs/dbraw/zinc/15/04/41/636150441.db2.gz APFRVJITWKOAIB-XBFCOCLRSA-N 1 0 279.380 3.009 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]CC[C@H]2CCO[C@@H](C)C2)c1O ZINC000846161976 636151106 /nfs/dbraw/zinc/15/11/06/636151106.db2.gz DKZAGRZSYFWKMV-IHRRRGAJSA-N 1 0 293.407 3.257 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+][C@H]2C[C@@H](OC(C)C)C2)c1O ZINC000846167876 636152010 /nfs/dbraw/zinc/15/20/10/636152010.db2.gz FVUCFKWWIRSBIK-UPJWGTAASA-N 1 0 279.380 3.007 20 10 CGCDRO COCC1(C[NH2+][C@@H](C)c2cccc(OC)c2O)CCCC1 ZINC000846168579 636152177 /nfs/dbraw/zinc/15/21/77/636152177.db2.gz KNITVAMNULNJTL-ZDUSSCGKSA-N 1 0 293.407 3.258 20 10 CGCDRO CCCc1ncc(C[NH2+][C@H](C)c2cccc(OC)c2O)o1 ZINC000846168072 636152218 /nfs/dbraw/zinc/15/22/18/636152218.db2.gz GJRZXKKGWZXHBC-LLVKDONJSA-N 1 0 290.363 3.192 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]CCc2scnc2C)c1O ZINC000846169992 636152704 /nfs/dbraw/zinc/15/27/04/636152704.db2.gz UEFALFHVWVGAPB-JTQLQIEISA-N 1 0 292.404 3.059 20 10 CGCDRO CCCCN(C)C[C@@H](C)[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846169790 636152712 /nfs/dbraw/zinc/15/27/12/636152712.db2.gz FVXIPSBUAQXCBX-ZIAGYGMSSA-N 1 0 294.439 3.172 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2C[C@H]2C2CC2)c1O ZINC000846169472 636153166 /nfs/dbraw/zinc/15/31/66/636153166.db2.gz QYQIPEJJEVIFJG-JKOKRWQUSA-N 1 0 261.365 3.098 20 10 CGCDRO CC[C@H](C)[C@H](C[NH2+][C@H](C)c1cccc(OC)c1O)OC ZINC000846172630 636153546 /nfs/dbraw/zinc/15/35/46/636153546.db2.gz ZOOPAJGKQQNBCW-ZOWXZIJZSA-N 1 0 281.396 3.113 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H](CC(C)C)OC)c1O ZINC000846172278 636154148 /nfs/dbraw/zinc/15/41/48/636154148.db2.gz KFVMMRSSZKJLEI-QWHCGFSZSA-N 1 0 281.396 3.113 20 10 CGCDRO C[C@H]([NH2+]CC1(Br)CC1)c1ccc(N(C)C)cc1 ZINC000846860648 636263411 /nfs/dbraw/zinc/26/34/11/636263411.db2.gz LATKUQYCIVGNFX-NSHDSACASA-N 1 0 297.240 3.331 20 10 CGCDRO C[C@@]1(CC[NH2+]Cc2cc(F)cc(F)c2[O-])C[C@@]1(F)Cl ZINC000883158085 636559465 /nfs/dbraw/zinc/55/94/65/636559465.db2.gz UIBPKJCZBBWAQC-OLZOCXBDSA-N 1 0 293.716 3.465 20 10 CGCDRO Cc1cnc(CC[NH2+][C@@H](C)c2cc(F)ccc2O)c(C)c1 ZINC000848559521 636605866 /nfs/dbraw/zinc/60/58/66/636605866.db2.gz DRIXBZFELXWXEX-ZDUSSCGKSA-N 1 0 288.366 3.436 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)Cc2ccccn2)c1 ZINC000848565838 636609533 /nfs/dbraw/zinc/60/95/33/636609533.db2.gz TWYIAEIKLSKNJD-QWHCGFSZSA-N 1 0 286.375 3.078 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+][C@@H]1CCCN2CCCC[C@@H]12 ZINC000848574611 636613332 /nfs/dbraw/zinc/61/33/32/636613332.db2.gz GLZRFDAWSICZPY-CABCVRRESA-N 1 0 294.826 3.152 20 10 CGCDRO CC[C@H]([NH2+]Cc1cc(Cl)ccc1O)[C@H]1CCCCO1 ZINC000848575588 636614690 /nfs/dbraw/zinc/61/46/90/636614690.db2.gz SUIKUKCRALTQLM-DZGCQCFKSA-N 1 0 283.799 3.483 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCc2ccns2)cc1 ZINC000883248509 636619094 /nfs/dbraw/zinc/61/90/94/636619094.db2.gz VFJJLKZFBYFOSL-ZDUSSCGKSA-N 1 0 289.448 3.493 20 10 CGCDRO CCC1(CC)[C@H]([NH2+]Cc2ccccc2O)C[C@@H]1OC ZINC000131360282 636633514 /nfs/dbraw/zinc/63/35/14/636633514.db2.gz UYLKWVSHMZHWNY-CABCVRRESA-N 1 0 263.381 3.076 20 10 CGCDRO CCC1(CC)[C@H]([NH2+]Cc2cccc(OC)c2O)C[C@H]1OC ZINC000131429747 636653107 /nfs/dbraw/zinc/65/31/07/636653107.db2.gz LDWICUGHPBWARN-HUUCEWRRSA-N 1 0 293.407 3.084 20 10 CGCDRO COc1cccc(O)c1C[NH2+][C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000883318985 636669282 /nfs/dbraw/zinc/66/92/82/636669282.db2.gz KZEGBMUBAGISHZ-SGMGOOAPSA-N 1 0 261.365 3.069 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2C[C@@H](COC)C2)cc1 ZINC000883320650 636672338 /nfs/dbraw/zinc/67/23/38/636672338.db2.gz RFIMYCPGEPIGSH-OFQRWUPVSA-N 1 0 276.424 3.218 20 10 CGCDRO CCOC[C@@H]1CCC[N@H+](Cc2cccc(CC)c2O)C1 ZINC000848885847 636673897 /nfs/dbraw/zinc/67/38/97/636673897.db2.gz AQFOLIBMGMHIPL-CQSZACIVSA-N 1 0 277.408 3.203 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@@H]2Cc3ccccc3O2)c1O ZINC000848893615 636679132 /nfs/dbraw/zinc/67/91/32/636679132.db2.gz YHTGGHRWBXKQCF-INIZCTEOSA-N 1 0 283.371 3.048 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)c1O ZINC000848897457 636679538 /nfs/dbraw/zinc/67/95/38/636679538.db2.gz JEOUPZSWYPURKH-DJIMGWMZSA-N 1 0 289.419 3.248 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H](CO)[C@H](C)c2ccccc2)c1O ZINC000848897942 636680736 /nfs/dbraw/zinc/68/07/36/636680736.db2.gz WWQDYNQINZWGDQ-KDOFPFPSSA-N 1 0 299.414 3.209 20 10 CGCDRO CCc1cccc(C[NH2+]CCc2ccc(Cl)nc2)c1O ZINC000848898238 636680919 /nfs/dbraw/zinc/68/09/19/636680919.db2.gz RDWXCCSKMDLXNJ-UHFFFAOYSA-N 1 0 290.794 3.335 20 10 CGCDRO CCc1cccc(C[NH2+]C2(CCOC)CCC2)c1O ZINC000848908035 636684972 /nfs/dbraw/zinc/68/49/72/636684972.db2.gz MAXBBHXGVZEVCF-UHFFFAOYSA-N 1 0 263.381 3.003 20 10 CGCDRO CCc1cccc(C[NH2+]CC2(C(F)(F)F)CC2)c1O ZINC000848909756 636686487 /nfs/dbraw/zinc/68/64/87/636686487.db2.gz AUEIOOFGDFEBGG-UHFFFAOYSA-N 1 0 273.298 3.387 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)c1O ZINC000848916867 636689793 /nfs/dbraw/zinc/68/97/93/636689793.db2.gz YAFODCIFAXYZBT-ZACQAIPSSA-N 1 0 289.419 3.080 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H]2CCC3(CCC3)O2)c1O ZINC000883357295 636699444 /nfs/dbraw/zinc/69/94/44/636699444.db2.gz ISGCLYNNIJPOQO-OLZOCXBDSA-N 1 0 291.391 3.153 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H](CC)[C@H]2CCCCO2)c1O ZINC000848927281 636699441 /nfs/dbraw/zinc/69/94/41/636699441.db2.gz DTBXDGQNHIEHEZ-JKSUJKDBSA-N 1 0 277.408 3.392 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCCSC1)c1ccc(N(C)C)cc1 ZINC000132437503 636808765 /nfs/dbraw/zinc/80/87/65/636808765.db2.gz WHETWAXSCUOATK-JSGCOSHPSA-N 1 0 264.438 3.299 20 10 CGCDRO CCN(CC)c1ccc(CNCC2([NH3+])CCCC2)cc1F ZINC000849350144 636817847 /nfs/dbraw/zinc/81/78/47/636817847.db2.gz SADUSXZWNIANHF-UHFFFAOYSA-N 1 0 293.430 3.033 20 10 CGCDRO COc1cc(C[NH2+]CC[C@@H](C)OC)c(O)c(C(C)(C)C)c1 ZINC000850113765 636960787 /nfs/dbraw/zinc/96/07/87/636960787.db2.gz UUWJWDJBIVRIMX-GFCCVEGCSA-N 1 0 295.423 3.213 20 10 CGCDRO CC[C@@H]1C[C@H]([NH2+][C@H](C)Cc2ccc(N(C)C)cc2C)CO1 ZINC000850328644 637017666 /nfs/dbraw/zinc/01/76/66/637017666.db2.gz WRULPCCQSMKFOD-UWWQBHOKSA-N 1 0 290.451 3.149 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@H]2C[C@@H](O)c3ccccc32)c1 ZINC000850372478 637034475 /nfs/dbraw/zinc/03/44/75/637034475.db2.gz VCYSVPDOEBECEB-FUHWJXTLSA-N 1 0 299.370 3.059 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H]2C(C)(C)C2(F)F)c1 ZINC000850393434 637045680 /nfs/dbraw/zinc/04/56/80/637045680.db2.gz CMJAVOHVVZJSMN-CYBMUJFWSA-N 1 0 285.334 3.172 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2C(C)(C)C2(F)F)cc1C ZINC000850394416 637046752 /nfs/dbraw/zinc/04/67/52/637046752.db2.gz QAVPARAYQWZAQH-ZDUSSCGKSA-N 1 0 269.335 3.390 20 10 CGCDRO CSCCC[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000134922331 637052164 /nfs/dbraw/zinc/05/21/64/637052164.db2.gz SKDQBQBPAHPIER-VIFPVBQESA-N 1 0 259.802 3.449 20 10 CGCDRO c1cc2n(n1)CCC[C@H]2[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000850422995 637055939 /nfs/dbraw/zinc/05/59/39/637055939.db2.gz KMIFNHQUJDVDKY-QGZVFWFLSA-N 1 0 296.418 3.108 20 10 CGCDRO C[C@H](CSCCF)[NH2+]CCCSc1nccs1 ZINC000850436463 637061912 /nfs/dbraw/zinc/06/19/12/637061912.db2.gz JRCSGHSHKNMCNT-SNVBAGLBSA-N 1 0 294.486 3.306 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1CCN1C(C)(C)C)c1ccc(N(C)C)cc1 ZINC000850483157 637086659 /nfs/dbraw/zinc/08/66/59/637086659.db2.gz XLLSQTKEYXFLKL-YOEHRIQHSA-N 1 0 289.467 3.276 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2COC(C)(C)C2)c2c1c(F)ccc2O ZINC000850483562 637086923 /nfs/dbraw/zinc/08/69/23/637086923.db2.gz YQYHFPGSTJTZES-JFGNBEQYSA-N 1 0 279.355 3.237 20 10 CGCDRO C[C@@H]([NH2+][C@H]1COC(C)(C)C1)c1cc(Cl)ccc1O ZINC000850483408 637087104 /nfs/dbraw/zinc/08/71/04/637087104.db2.gz XEUWLKTWAKGUFH-MWLCHTKSSA-N 1 0 269.772 3.264 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1)[C@@H]1C[C@H]1C ZINC000850487203 637087884 /nfs/dbraw/zinc/08/78/84/637087884.db2.gz LNHPIZQZQKVTRV-DTDBQYNISA-N 1 0 288.435 3.298 20 10 CGCDRO C[C@@H]([NH2+][C@H](CO)C1CCC1)c1cc2c(cc1O)CCCC2 ZINC000850488319 637088075 /nfs/dbraw/zinc/08/80/75/637088075.db2.gz NKJYRPYYZBFXDR-SJKOYZFVSA-N 1 0 289.419 3.083 20 10 CGCDRO C[C@H]([NH2+][C@@H](CO)C1CCC1)c1ccc2ccccc2c1O ZINC000850487959 637088176 /nfs/dbraw/zinc/08/81/76/637088176.db2.gz JYBQANFREHTVDC-SJCJKPOMSA-N 1 0 285.387 3.357 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1)c1ccc(N(C)C)cc1 ZINC000850495013 637091237 /nfs/dbraw/zinc/09/12/37/637091237.db2.gz VALDHGKPRBSXFV-GOEBONIOSA-N 1 0 289.467 3.276 20 10 CGCDRO C[C@@H]([NH2+][C@H](C)C1(CO)CC1)c1ccc2ccccc2c1O ZINC000850516951 637100063 /nfs/dbraw/zinc/10/00/63/637100063.db2.gz ZWQGJQJVOYLNCF-CHWSQXEVSA-N 1 0 285.387 3.357 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1COC2(CCC2)C1)c1ccc(C)cc1O ZINC000850523266 637101922 /nfs/dbraw/zinc/10/19/22/637101922.db2.gz DXZZPHIGPDHGLH-ZFWWWQNUSA-N 1 0 275.392 3.453 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2COC3(CCC3)C2)c2c1c(F)ccc2O ZINC000850523577 637102091 /nfs/dbraw/zinc/10/20/91/637102091.db2.gz AXJUSXGKYGOXOE-NTZNESFSSA-N 1 0 291.366 3.381 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2COC3(CCC3)C2)c(O)c1C ZINC000850524713 637104048 /nfs/dbraw/zinc/10/40/48/637104048.db2.gz HRYWVPPIOPJTDK-KGLIPLIRSA-N 1 0 275.392 3.371 20 10 CGCDRO C[C@@]1(CC[NH2+][C@@H]2CCc3cccc(O)c32)CC1(F)F ZINC000850535977 637112356 /nfs/dbraw/zinc/11/23/56/637112356.db2.gz GARCGAUFZMNNAA-BXUZGUMPSA-N 1 0 267.319 3.405 20 10 CGCDRO COc1ccnc(C[NH2+][C@H](C)c2cc(C)ccc2O)c1F ZINC000850536088 637112770 /nfs/dbraw/zinc/11/27/70/637112770.db2.gz BPWVNJZQOOJNRB-LLVKDONJSA-N 1 0 290.338 3.094 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H](C)CN2CCC(C)CC2)c(O)c1 ZINC000850543792 637116132 /nfs/dbraw/zinc/11/61/32/637116132.db2.gz QGXDGQUPBZAPNP-CVEARBPZSA-N 1 0 290.451 3.472 20 10 CGCDRO CC1(C)[C@H](C[NH2+][C@H]2CCc3cccc(O)c32)C1(F)F ZINC000850553289 637118835 /nfs/dbraw/zinc/11/88/35/637118835.db2.gz VMECOAUSEJPYSU-JQWIXIFHSA-N 1 0 267.319 3.260 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2C(C)(C)C2(F)F)c1 ZINC000850553532 637119051 /nfs/dbraw/zinc/11/90/51/637119051.db2.gz YHGRTYQVLIYPNN-RNCFNFMXSA-N 1 0 285.334 3.343 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CC2(O)CCC(F)(F)CC2)c(O)c1 ZINC000850566458 637126669 /nfs/dbraw/zinc/12/66/69/637126669.db2.gz MWOJDGZCULFKBP-LBPRGKRZSA-N 1 0 299.361 3.292 20 10 CGCDRO C[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)c1nccn1C ZINC000850572192 637129929 /nfs/dbraw/zinc/12/99/29/637129929.db2.gz HXHUAWZHMVRBLJ-UWVGGRQHSA-N 1 0 279.771 3.191 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CC[C@@H](C3CC3)O2)c1 ZINC000886109518 637418554 /nfs/dbraw/zinc/41/85/54/637418554.db2.gz MSZRVYKBIFYYPV-YLVFBTJISA-N 1 0 291.391 3.009 20 10 CGCDRO C[C@@]1(C[NH2+]Cc2ccccc2O)CCOC2(CCC2)C1 ZINC000886345129 637506567 /nfs/dbraw/zinc/50/65/67/637506567.db2.gz SGZORVKVFZWWQE-MRXNPFEDSA-N 1 0 275.392 3.221 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)cc1 ZINC000886818908 637706332 /nfs/dbraw/zinc/70/63/32/637706332.db2.gz LOWQOXSNNZNVHJ-WMZOPIPTSA-N 1 0 288.435 3.144 20 10 CGCDRO Oc1cc2c(cc1C[N@H+](CCC1CC1)CC1CC1)OCO2 ZINC000853604753 637872740 /nfs/dbraw/zinc/87/27/40/637872740.db2.gz UQIPONMMBQAWAI-UHFFFAOYSA-N 1 0 289.375 3.133 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]CCOC1CCCCC1 ZINC000111607900 637930197 /nfs/dbraw/zinc/93/01/97/637930197.db2.gz UPICWRXMNTXKFD-UHFFFAOYSA-N 1 0 283.799 3.485 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cc(O)cc(F)c1 ZINC000924575500 638366359 /nfs/dbraw/zinc/36/63/59/638366359.db2.gz WCJOYCVBYQBVNT-LBPRGKRZSA-N 1 0 288.366 3.448 20 10 CGCDRO C[C@H](Cc1ccccn1)[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000924870840 638417737 /nfs/dbraw/zinc/41/77/37/638417737.db2.gz LWTLFFKDKOLWRE-OAHLLOKOSA-N 1 0 295.430 3.185 20 10 CGCDRO CC(C)[C@H]1COCC[C@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000924863520 638417950 /nfs/dbraw/zinc/41/79/50/638417950.db2.gz YSVHYTOPNOHIKW-GDBMZVCRSA-N 1 0 294.414 3.042 20 10 CGCDRO CC[C@H](C[C@](C)(O)CC)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000924899803 638421113 /nfs/dbraw/zinc/42/11/13/638421113.db2.gz HPNDQTORECOUSK-NVXWUHKLSA-N 1 0 277.408 3.041 20 10 CGCDRO C[C@@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)C1(C)CC1 ZINC000858116695 638635364 /nfs/dbraw/zinc/63/53/64/638635364.db2.gz YUIJWRNUFBFSEU-SNVBAGLBSA-N 1 0 268.351 3.309 20 10 CGCDRO C[C@@H]1SCC[C@@H]1[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858184998 638652052 /nfs/dbraw/zinc/65/20/52/638652052.db2.gz QFOGRTKFYJTCIQ-ZANVPECISA-N 1 0 286.391 3.014 20 10 CGCDRO COc1ccc2c(c1)C[C@@H]([NH2+]Cc1cc(C)ccc1O)CC2 ZINC000858239293 638661755 /nfs/dbraw/zinc/66/17/55/638661755.db2.gz LCLLNKQTZMZODI-KRWDZBQOSA-N 1 0 297.398 3.356 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@]2(CO)CCCC(C)(C)C2)c1 ZINC000858251819 638664189 /nfs/dbraw/zinc/66/41/89/638664189.db2.gz QMZCIPFTGIXQHJ-QGZVFWFLSA-N 1 0 277.408 3.122 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@H](C)c2ccns2)c1 ZINC000858317463 638680336 /nfs/dbraw/zinc/68/03/36/638680336.db2.gz PIGSRGCSGZYYPB-SNVBAGLBSA-N 1 0 278.377 3.098 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](CO)CCC(C)C)c1ccccc1O ZINC000858486564 638737961 /nfs/dbraw/zinc/73/79/61/638737961.db2.gz VQESQZCJJFVULQ-UKRRQHHQSA-N 1 0 265.397 3.230 20 10 CGCDRO CC(=O)N(C)c1ccc(C[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC000858495925 638743117 /nfs/dbraw/zinc/74/31/17/638743117.db2.gz KXIDHXHBMIFRJD-ZDUSSCGKSA-N 1 0 298.386 3.226 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CO[C@@H](C2CC2)C1)c1ccc(Cl)cc1O ZINC000858548084 638759489 /nfs/dbraw/zinc/75/94/89/638759489.db2.gz QVLGLPCQEFJOEZ-ONENECBXSA-N 1 0 281.783 3.264 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CO[C@@H](C3CC3)C2)c(O)c1C ZINC000858548987 638759506 /nfs/dbraw/zinc/75/95/06/638759506.db2.gz YRBODUKXUMVQDZ-DUVNUKRYSA-N 1 0 275.392 3.227 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+][C@H]2CO[C@H](C3CC3)C2)c2c1c(F)ccc2O ZINC000858547713 638759580 /nfs/dbraw/zinc/75/95/80/638759580.db2.gz NWACVKPZMGDBNW-RNKJKDHYSA-N 1 0 291.366 3.237 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)c1cc(F)ccc1O ZINC000926948935 638828645 /nfs/dbraw/zinc/82/86/45/638828645.db2.gz LNGPALUOMOGQNP-DKCNOQQISA-N 1 0 277.261 3.380 20 10 CGCDRO COC[C@H](C[NH2+][C@H](C)c1cc(F)ccc1O)C(C)C ZINC000927096509 638841297 /nfs/dbraw/zinc/84/12/97/638841297.db2.gz LYZQBLJWUFHJRF-NEPJUHHUSA-N 1 0 269.360 3.101 20 10 CGCDRO CC[C@H]([NH2+]C[C@H](COC)C(C)C)c1ccccc1O ZINC000927096971 638841649 /nfs/dbraw/zinc/84/16/49/638841649.db2.gz RARGAWZIBAZXQP-HIFRSBDPSA-N 1 0 265.397 3.352 20 10 CGCDRO C[C@@H]([NH2+][C@H]1C[C@@](CO)(c2ccccc2)C1)c1ccccc1O ZINC000927157071 638848500 /nfs/dbraw/zinc/84/85/00/638848500.db2.gz NITJYTRKKIOWBU-OGWOLHLISA-N 1 0 297.398 3.136 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]C1([C@@H]3CCCCO3)CC1)CC2 ZINC000927161242 638849287 /nfs/dbraw/zinc/84/92/87/638849287.db2.gz WOOBYFPQKVMVQD-ZFWWWQNUSA-N 1 0 273.376 3.071 20 10 CGCDRO COC(=O)[C@@H]1CCCC[C@H]1C[NH2+][C@H](C)c1ccccc1O ZINC000931555222 639170261 /nfs/dbraw/zinc/17/02/61/639170261.db2.gz VGHVPAZMWAPIJR-VNHYZAJKSA-N 1 0 291.391 3.022 20 10 CGCDRO Oc1ccccc1C[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC000117388859 639326533 /nfs/dbraw/zinc/32/65/33/639326533.db2.gz RCFNUJYPDZMNJJ-CQSZACIVSA-N 1 0 267.372 3.287 20 10 CGCDRO Cc1ccc(OC[C@@H](C)[NH2+]Cc2ccccc2O)cc1 ZINC000040499364 639894362 /nfs/dbraw/zinc/89/43/62/639894362.db2.gz ZZOSRUMOOJLQRK-CQSZACIVSA-N 1 0 271.360 3.258 20 10 CGCDRO CC[C@H]([NH2+]CCN1CCCCCC1)c1ccccc1O ZINC000040767185 639896362 /nfs/dbraw/zinc/89/63/62/639896362.db2.gz OCBSHKXNPQDGHC-INIZCTEOSA-N 1 0 276.424 3.309 20 10 CGCDRO Oc1ccc(CC[NH2+]Cc2cc(Cl)ccc2O)cc1 ZINC000040735418 639896456 /nfs/dbraw/zinc/89/64/56/639896456.db2.gz ODGIRTFRLZMIAC-UHFFFAOYSA-N 1 0 277.751 3.084 20 10 CGCDRO COc1cc(Br)cc(C[N@H+](C)C(C)C)c1O ZINC000158705367 640014474 /nfs/dbraw/zinc/01/44/74/640014474.db2.gz ODDBOEFMIXOWQC-UHFFFAOYSA-N 1 0 288.185 3.004 20 10 CGCDRO CCOc1cccc(C[NH2+]C[C@H](C)C(C)C)c1O ZINC000077897096 640267672 /nfs/dbraw/zinc/26/76/72/640267672.db2.gz KJGRVDRZRFGDGK-LBPRGKRZSA-N 1 0 251.370 3.173 20 10 CGCDRO CC[C@H]([NH2+][C@H](CO)Cc1ccccc1C)c1ccccc1O ZINC000191556336 640319510 /nfs/dbraw/zinc/31/95/10/640319510.db2.gz PUFGPRHYPDDJJK-WMZOPIPTSA-N 1 0 299.414 3.345 20 10 CGCDRO C[C@H]([NH2+]CCCN1CCc2ccccc21)c1ccccc1O ZINC000192953419 640421231 /nfs/dbraw/zinc/42/12/31/640421231.db2.gz VNHHTGPRDXTGOB-HNNXBMFYSA-N 1 0 296.414 3.496 20 10 CGCDRO C[N@@H+](Cc1cc(C(C)(C)C)cc(O)c1O)CC1CC1 ZINC000194001802 640505640 /nfs/dbraw/zinc/50/56/40/640505640.db2.gz FPEUQHGBUZHSNV-UHFFFAOYSA-N 1 0 263.381 3.237 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2C)c(O)c1 ZINC000088507707 640618794 /nfs/dbraw/zinc/61/87/94/640618794.db2.gz PBEFIBVBSRXJGZ-SWLSCSKDSA-N 1 0 263.381 3.459 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H]2CCC[C@H](O)C2)cc1 ZINC000247960481 640737107 /nfs/dbraw/zinc/73/71/07/640737107.db2.gz GDJFQCCVWKJWBL-MPGHIAIKSA-N 1 0 290.451 3.344 20 10 CGCDRO CCC[N@@H+](Cc1cc(C)ccc1O)C[C@@H]1CCCCO1 ZINC000093132474 640758783 /nfs/dbraw/zinc/75/87/83/640758783.db2.gz QFVRWNXVXDJPBU-INIZCTEOSA-N 1 0 277.408 3.482 20 10 CGCDRO CSC[C@@H]1CCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000093760564 640780965 /nfs/dbraw/zinc/78/09/65/640780965.db2.gz JIEWUJKSDMNNDJ-HNNXBMFYSA-N 1 0 264.438 3.080 20 10 CGCDRO CC[N@@H+](Cc1ccc(N(C)C)cc1)C[C@H](O)c1ccccc1 ZINC001251993813 805965406 /nfs/dbraw/zinc/96/54/06/805965406.db2.gz SYDBFJCABHYMKQ-IBGZPJMESA-N 1 0 298.430 3.308 20 10 CGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2[NH2+]C[C@@H](O)C(C)C ZINC001253788897 806311389 /nfs/dbraw/zinc/31/13/89/806311389.db2.gz WSATUTMPJWJACW-RHSMWYFYSA-N 1 0 291.435 3.239 20 10 CGCDRO C[C@H]([NH2+][C@H]1C[C@@H]2CC(=O)C[C@@H]2C1)c1ccc(N(C)C)cc1 ZINC001254929565 806510115 /nfs/dbraw/zinc/51/01/15/806510115.db2.gz USYBNEWRSOEFAK-ARLBYUKCSA-N 1 0 286.419 3.161 20 10 CGCDRO C[NH+]1CCN(c2ccc(CNc3ccc(F)cc3)cc2)CC1 ZINC000149164364 799051710 /nfs/dbraw/zinc/05/17/10/799051710.db2.gz QZJKLHFWWIVTPR-UHFFFAOYSA-N 1 0 299.393 3.190 20 10 CGCDRO C[C@@H]([NH2+]Cc1cc(Cl)ccc1O)[C@H]1CCCCO1 ZINC000379184710 799348134 /nfs/dbraw/zinc/34/81/34/799348134.db2.gz QRCNIZKTWMJWHM-QMTHXVAHSA-N 1 0 269.772 3.093 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCS[C@H]2C)c(O)c1 ZINC000379934885 799354734 /nfs/dbraw/zinc/35/47/34/799354734.db2.gz VNURCYIEMJQQRR-GVXVVHGQSA-N 1 0 251.395 3.245 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2cc(Br)ccc2O)[C@H]1C ZINC000380726799 799365456 /nfs/dbraw/zinc/36/54/56/799365456.db2.gz FWIKOHVJPIUNHQ-ZJUUUORDSA-N 1 0 284.197 3.385 20 10 CGCDRO CC[C@H](C)[C@@H](C[NH2+][C@@H](C)c1ccc(C)cc1O)OC ZINC000381320679 799375759 /nfs/dbraw/zinc/37/57/59/799375759.db2.gz WFJGSGPUBQDEBB-HEHGZKQESA-N 1 0 265.397 3.412 20 10 CGCDRO CC[C@H](C)[C@@H](C[NH2+][C@@H](C)c1ccc(N(C)C)cc1)OC ZINC000381353787 799377418 /nfs/dbraw/zinc/37/74/18/799377418.db2.gz FSWIZVVBETVOQN-GRDNDAEWSA-N 1 0 278.440 3.464 20 10 CGCDRO CC1(CC[NH2+]Cc2cc(Br)ccc2O)CC1 ZINC000381530097 799381344 /nfs/dbraw/zinc/38/13/44/799381344.db2.gz YONWPYVMRMYERO-UHFFFAOYSA-N 1 0 284.197 3.435 20 10 CGCDRO CO[C@](C)(C[NH2+]Cc1ccccc1O)c1ccccc1 ZINC000384329007 799415639 /nfs/dbraw/zinc/41/56/39/799415639.db2.gz TUSIFHWCQYZLKZ-QGZVFWFLSA-N 1 0 271.360 3.044 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCCN3C)[C@H]1C ZINC000385727154 799427400 /nfs/dbraw/zinc/42/74/00/799427400.db2.gz XXVOYMXSZRUUAA-WWGRRREGSA-N 1 0 258.409 3.203 20 10 CGCDRO C[C@H]([NH2+][C@@H](CO)C1CCCCC1)c1ccc(N(C)C)cc1 ZINC000386338871 799435137 /nfs/dbraw/zinc/43/51/37/799435137.db2.gz LDLKDWMTEFYZBA-KSSFIOAISA-N 1 0 290.451 3.344 20 10 CGCDRO C[C@@H]([NH2+]C[C@](C)(O)C1CC1)c1ccc2ccccc2c1O ZINC000386955996 799441899 /nfs/dbraw/zinc/44/18/99/799441899.db2.gz OFYZTMZHZLDEDC-XIKOKIGWSA-N 1 0 285.387 3.357 20 10 CGCDRO CO[C@@H]([C@@H](C)[NH2+][C@H](C)c1cc(C)ccc1O)C1CC1 ZINC000388269914 799452106 /nfs/dbraw/zinc/45/21/06/799452106.db2.gz FLSOLJOLTKVTIH-HSMVNMDESA-N 1 0 263.381 3.165 20 10 CGCDRO CCOC1(C[NH2+][C@H](C)c2ccccc2O)CCCC1 ZINC000389174928 799461085 /nfs/dbraw/zinc/46/10/85/799461085.db2.gz JIBFFZKQKSLGHM-CYBMUJFWSA-N 1 0 263.381 3.392 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CCCC2(F)F)cc1 ZINC000390620107 799473332 /nfs/dbraw/zinc/47/33/32/799473332.db2.gz ZGBQVEMGVDGQIQ-ZDUSSCGKSA-N 1 0 268.351 3.278 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC(C)(C)C(C)(C)O)c1 ZINC000393585841 799488434 /nfs/dbraw/zinc/48/84/34/799488434.db2.gz DMWUCKWNKQASEH-GFCCVEGCSA-N 1 0 265.397 3.148 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CC2CCC1CC2 ZINC000393874764 799492630 /nfs/dbraw/zinc/49/26/30/799492630.db2.gz DGPMKAKYUANSKJ-UHFFFAOYSA-N 1 0 251.757 3.420 20 10 CGCDRO CCOc1cccc(C[NH2+]Cc2cnc(C)cc2C)c1O ZINC000397025236 799513817 /nfs/dbraw/zinc/51/38/17/799513817.db2.gz JROBUZQCEKBRFN-UHFFFAOYSA-N 1 0 286.375 3.093 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CS[C@H](C)C1)c1cc(F)ccc1O ZINC000397867519 799522303 /nfs/dbraw/zinc/52/23/03/799522303.db2.gz AONXWBDGZUJZPK-KKZNHRDASA-N 1 0 255.358 3.076 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CSC[C@@H]2C)c1 ZINC000397903710 799523406 /nfs/dbraw/zinc/52/34/06/799523406.db2.gz UUANWLHKCIXHMM-GMXVVIOVSA-N 1 0 251.395 3.103 20 10 CGCDRO Cc1cc(C[NH2+]Cc2ccccc2O)cc(Cl)n1 ZINC000401907168 799559243 /nfs/dbraw/zinc/55/92/43/799559243.db2.gz UQIXFINILFWBEU-UHFFFAOYSA-N 1 0 262.740 3.039 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403504851 799567474 /nfs/dbraw/zinc/56/74/74/799567474.db2.gz ZRHXFLSEKZUZBD-OUJBWJOFSA-N 1 0 251.757 3.324 20 10 CGCDRO CCc1cccc(C[NH2+][C@H](CC)CSC)c1O ZINC000691523083 799785158 /nfs/dbraw/zinc/78/51/58/799785158.db2.gz NFVDLJOQBFZEBW-CYBMUJFWSA-N 1 0 253.411 3.186 20 10 CGCDRO C[C@H](C[NH2+][C@@H]1CCc2cccc(O)c21)c1ccccn1 ZINC000692679880 799796763 /nfs/dbraw/zinc/79/67/63/799796763.db2.gz MOFHPPCYBNRCTB-IUODEOHRSA-N 1 0 268.360 3.168 20 10 CGCDRO COc1ccc(C[NH2+]C[C@H](OC)C2CCCC2)cc1C ZINC000692973264 799805520 /nfs/dbraw/zinc/80/55/20/799805520.db2.gz BXKIVPDXAIZSES-KRWDZBQOSA-N 1 0 277.408 3.298 20 10 CGCDRO C[C@@H](C[NH2+]Cc1ccc(N(C)C)cc1)CC(F)F ZINC000697741618 799848200 /nfs/dbraw/zinc/84/82/00/799848200.db2.gz GKEIHOPLPNIBIH-LLVKDONJSA-N 1 0 256.340 3.134 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(Cl)o2)c1 ZINC000698122231 799852147 /nfs/dbraw/zinc/85/21/47/799852147.db2.gz YXLDJFOGOZQGJI-VIFPVBQESA-N 1 0 281.739 3.498 20 10 CGCDRO C[C@H]([NH2+][C@@H]1COC[C@H]1C)c1ccc2ccccc2c1O ZINC000699475687 799861713 /nfs/dbraw/zinc/86/17/13/799861713.db2.gz MWJGINVQZWQBEJ-BFQNTYOBSA-N 1 0 271.360 3.231 20 10 CGCDRO C[C@@H]([NH2+]Cc1cncc(F)c1)c1ccc(N(C)C)cc1 ZINC000700794606 799879521 /nfs/dbraw/zinc/87/95/21/799879521.db2.gz RQXBOOCLLPAKBJ-GFCCVEGCSA-N 1 0 273.355 3.138 20 10 CGCDRO CC[C@H]([NH2+]C1CCC(OC)CC1)c1ccccc1O ZINC000703832365 799931144 /nfs/dbraw/zinc/93/11/44/799931144.db2.gz TVDYDSCRQQZYQM-PIMMBPRGSA-N 1 0 263.381 3.391 20 10 CGCDRO COC1CCC([NH2+][C@H](C)c2cc(C)ccc2O)CC1 ZINC000703831448 799931982 /nfs/dbraw/zinc/93/19/82/799931982.db2.gz LMSBLLLTAMUWFG-IYXRBSQSSA-N 1 0 263.381 3.309 20 10 CGCDRO CCC[C@H](C[NH2+]Cc1cccc(OCC)c1O)OCC ZINC000705344442 799948417 /nfs/dbraw/zinc/94/84/17/799948417.db2.gz RQVMADGILXSFQS-CQSZACIVSA-N 1 0 281.396 3.086 20 10 CGCDRO CCC[C@@H](C[NH2+][C@H](C)c1cc(F)ccc1O)OCC ZINC000707842033 799979774 /nfs/dbraw/zinc/97/97/74/799979774.db2.gz UYMSXVKFKNDOEQ-YPMHNXCESA-N 1 0 269.360 3.387 20 10 CGCDRO CC[C@@H]([NH2+]C1CC(SC)C1)c1ccccc1O ZINC000708299348 799985490 /nfs/dbraw/zinc/98/54/90/799985490.db2.gz FLMIVUBQIIBIIY-GCZXYKMCSA-N 1 0 251.395 3.327 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCCO[C@H](C(C)C)C2)c1O ZINC000709327588 800006455 /nfs/dbraw/zinc/00/64/55/800006455.db2.gz XEFNNOILBWJOHQ-INIZCTEOSA-N 1 0 277.408 3.202 20 10 CGCDRO C[C@H]([NH2+][C@@H](C1CCC1)[C@H]1CCOC1)c1ccccc1O ZINC000711873240 800077463 /nfs/dbraw/zinc/07/74/63/800077463.db2.gz DHYUPQBNHPLVLD-JDFRZJQESA-N 1 0 275.392 3.248 20 10 CGCDRO CO[C@H]1C[C@H]([NH2+]Cc2c(O)cccc2Cl)C12CCC2 ZINC000713470969 800109671 /nfs/dbraw/zinc/10/96/71/800109671.db2.gz NRTMQHFLEFMOMF-KBPBESRZSA-N 1 0 281.783 3.093 20 10 CGCDRO CO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cc(C)ccc2O)C12CCC2 ZINC000713481870 800110784 /nfs/dbraw/zinc/11/07/84/800110784.db2.gz ZFPBTVFGOLJLES-APHBMKBZSA-N 1 0 275.392 3.309 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccns1 ZINC000716017591 800159842 /nfs/dbraw/zinc/15/98/42/800159842.db2.gz BYHZNJKCYZMGLB-LBPRGKRZSA-N 1 0 287.432 3.376 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1CCC2(CCC2)CO1)c1ccccc1O ZINC000716605916 800175940 /nfs/dbraw/zinc/17/59/40/800175940.db2.gz JVVAHFSVTQNKJY-KBPBESRZSA-N 1 0 275.392 3.392 20 10 CGCDRO C[C@H]([NH2+]CC[C@@H]1CC(C)(C)CO1)c1cc(F)ccc1O ZINC000717274748 800199426 /nfs/dbraw/zinc/19/94/26/800199426.db2.gz ULVIVMRUTIZVAT-WCQYABFASA-N 1 0 281.371 3.387 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H]1CC(C)(C)CO1)c1ccccc1O ZINC000717318318 800199815 /nfs/dbraw/zinc/19/98/15/800199815.db2.gz NSCBQBNJXUXLFL-TZMCWYRMSA-N 1 0 263.381 3.248 20 10 CGCDRO CCOc1cccc(C[NH2+]C2(C3CC3)CCC2)c1O ZINC000717905241 800208315 /nfs/dbraw/zinc/20/83/15/800208315.db2.gz WBGIMWHFYTWYOF-UHFFFAOYSA-N 1 0 261.365 3.213 20 10 CGCDRO Cc1cccc(C[NH2+]Cc2cnc(Cl)s2)c1O ZINC000718200989 800214079 /nfs/dbraw/zinc/21/40/79/800214079.db2.gz QXPPKDOCHBTRTH-UHFFFAOYSA-N 1 0 268.769 3.100 20 10 CGCDRO COCC(C)(C)CC[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000718669182 800219749 /nfs/dbraw/zinc/21/97/49/800219749.db2.gz FKXVOGNEGGGVBB-LBPRGKRZSA-N 1 0 281.396 3.114 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(C)c1)[C@H]1CCCOC1 ZINC000723987271 800348215 /nfs/dbraw/zinc/34/82/15/800348215.db2.gz FRNWTLYMXAKKKF-JKSUJKDBSA-N 1 0 277.408 3.298 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)c1ccccc1O)[C@H]1CCCOC1 ZINC000724012712 800352683 /nfs/dbraw/zinc/35/26/83/800352683.db2.gz IBYLVWSPZUWTIY-YDHLFZDLSA-N 1 0 263.381 3.248 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)c1ccccc1O)[C@H]1CCCOC1 ZINC000724012707 800352790 /nfs/dbraw/zinc/35/27/90/800352790.db2.gz IBYLVWSPZUWTIY-IPYPFGDCSA-N 1 0 263.381 3.248 20 10 CGCDRO C[C@@H]([NH2+][C@@H](CCO)C1CCCC1)c1cc(F)ccc1O ZINC000725086547 800371718 /nfs/dbraw/zinc/37/17/18/800371718.db2.gz UHCRUQKFFZLQIC-ABAIWWIYSA-N 1 0 281.371 3.123 20 10 CGCDRO COc1cccc(C[C@H](C)[NH2+]Cc2ccccc2O)c1 ZINC001256144879 806833199 /nfs/dbraw/zinc/83/31/99/806833199.db2.gz UVVJCOAKRVKSGJ-ZDUSSCGKSA-N 1 0 271.360 3.122 20 10 CGCDRO COC[C@@H]([NH2+][C@H](C)Cc1ccc(N(C)C)cc1C)C1CC1 ZINC000840892551 800501460 /nfs/dbraw/zinc/50/14/60/800501460.db2.gz ATDHRMNILGYCJI-RDTXWAMCSA-N 1 0 290.451 3.007 20 10 CGCDRO CCC(C)(C)[C@@H](C)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000895331143 800580995 /nfs/dbraw/zinc/58/09/95/800580995.db2.gz VXUDJIUOHMGDRQ-LLVKDONJSA-N 1 0 281.396 3.324 20 10 CGCDRO Oc1c(C[NH2+]CCC2CCOCC2)ccc2ccccc21 ZINC001117720683 802481263 /nfs/dbraw/zinc/48/12/63/802481263.db2.gz BDRQHBONFFROMN-UHFFFAOYSA-N 1 0 285.387 3.452 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CCn2ccnc21 ZINC001117831310 802505217 /nfs/dbraw/zinc/50/52/17/802505217.db2.gz MGAOOVGHIBQNPL-AGIUHOORSA-N 1 0 283.375 3.180 20 10 CGCDRO CCOc1cccc(C[N@@H+]2C[C@@H](C)CC23CC3)c1O ZINC001203614921 812406844 /nfs/dbraw/zinc/40/68/44/812406844.db2.gz GXQPQTLKYYGPLZ-LBPRGKRZSA-N 1 0 261.365 3.165 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccc3c(c2)COC3)cc1 ZINC001137028797 803673467 /nfs/dbraw/zinc/67/34/67/803673467.db2.gz FLVWUFNHZUPFAX-UHFFFAOYSA-N 1 0 296.414 3.415 20 10 CGCDRO Cc1cc(C[NH+]2CCC(C)(O)CC2)c(C)n1-c1ccccc1 ZINC001137854186 803784429 /nfs/dbraw/zinc/78/44/29/803784429.db2.gz LOHYRZSDBLGNJP-UHFFFAOYSA-N 1 0 298.430 3.441 20 10 CGCDRO Cc1cc(C[N@@H+]2[C@@H](C)CC[C@H]2CO)c(C)n1-c1ccccc1 ZINC001137854328 803785709 /nfs/dbraw/zinc/78/57/09/803785709.db2.gz RLSVAVKAGDBCGY-LIRRHRJNSA-N 1 0 298.430 3.439 20 10 CGCDRO Cc1c(C[N@@H+]2CCC[C@H](F)C2)c2ccccc2n1C ZINC001138256585 803881007 /nfs/dbraw/zinc/88/10/07/803881007.db2.gz BSQXSMYHYJEALG-ZDUSSCGKSA-N 1 0 260.356 3.421 20 10 CGCDRO Cc1c(C[N@@H+]2CCCC(=O)[C@H](C)C2)c2ccccc2n1C ZINC001138252962 803881404 /nfs/dbraw/zinc/88/14/04/803881404.db2.gz YGHOKTRYTPKUJZ-CYBMUJFWSA-N 1 0 284.403 3.288 20 10 CGCDRO CO[C@@H]1CCC[N@H+](Cc2c(C)n(C)c3ccccc32)C1 ZINC001138252681 803881452 /nfs/dbraw/zinc/88/14/52/803881452.db2.gz PTLJGUQQVQRDCW-CQSZACIVSA-N 1 0 272.392 3.098 20 10 CGCDRO CCN1CCC([N@H+](C)Cc2c3ccccc3n(C)c2C)CC1 ZINC001138257022 803882112 /nfs/dbraw/zinc/88/21/12/803882112.db2.gz SIJSZKLHOWSFSY-UHFFFAOYSA-N 1 0 299.462 3.403 20 10 CGCDRO C[C@H]1CCCC[N@@H+]1Cc1ccc2c(c1)CCCN2C ZINC001138354006 803900474 /nfs/dbraw/zinc/90/04/74/803900474.db2.gz QMNQBGXJKSVWHF-AWEZNQCLSA-N 1 0 258.409 3.443 20 10 CGCDRO Oc1cccc2c1C[N@H+](Cc1ccc3c(c1)CCCO3)CC2 ZINC001138716946 804013398 /nfs/dbraw/zinc/01/33/98/804013398.db2.gz CSLPFAHVAIVCQB-UHFFFAOYSA-N 1 0 295.382 3.276 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccnc(Cl)c2)cc1 ZINC001138819449 804047894 /nfs/dbraw/zinc/04/78/94/804047894.db2.gz DZTKUVDWSGAIQL-UHFFFAOYSA-N 1 0 289.810 3.433 20 10 CGCDRO Cc1cc(C[N@H+]2CC[C@H](C)[C@](C)(O)CC2)ccc1N(C)C ZINC001139669789 804247014 /nfs/dbraw/zinc/24/70/14/804247014.db2.gz OAEDJQNGRGPVRW-MAUKXSAKSA-N 1 0 290.451 3.044 20 10 CGCDRO Cc1cc(C[N@@H+]2CC[C@H]3CCCO[C@H]3C2)ccc1N(C)C ZINC001139671751 804247435 /nfs/dbraw/zinc/24/74/35/804247435.db2.gz ZHCSILIJDSYIDI-AEFFLSMTSA-N 1 0 288.435 3.062 20 10 CGCDRO Cc1cc(C[N@@H+]2CCc3ncccc3C2)ccc1N(C)C ZINC001139673159 804248160 /nfs/dbraw/zinc/24/81/60/804248160.db2.gz QPGLQSMWEKTTMT-UHFFFAOYSA-N 1 0 281.403 3.014 20 10 CGCDRO Cc1cc(C[N@H+]2C[C@H](C)CC23CC3)ccc1N(C)C ZINC001139674143 804248217 /nfs/dbraw/zinc/24/82/17/804248217.db2.gz RBHMDFPVLHLDFD-CYBMUJFWSA-N 1 0 258.409 3.435 20 10 CGCDRO CC[N@H+](Cc1ccccc1O)Cc1ccc(O)cc1F ZINC001140128688 804383663 /nfs/dbraw/zinc/38/36/63/804383663.db2.gz ZFNJQNZCCQMRHA-UHFFFAOYSA-N 1 0 275.323 3.259 20 10 CGCDRO Cc1ccc(C)c(C[N@@H+]2CCC[C@H]2c2cnccn2)c1O ZINC001140182109 804395683 /nfs/dbraw/zinc/39/56/83/804395683.db2.gz JPCWPSGLQVJIMG-INIZCTEOSA-N 1 0 283.375 3.136 20 10 CGCDRO Cc1ccc(C)c(C[N@H+](C)C[C@H]2CCCCO2)c1O ZINC001140182046 804396626 /nfs/dbraw/zinc/39/66/26/804396626.db2.gz GRMXVAFZJZZRRI-CQSZACIVSA-N 1 0 263.381 3.010 20 10 CGCDRO Cc1ccc(C)c(C[N@H+]2CC[C@@H](OC(C)C)C2)c1O ZINC001140184006 804397138 /nfs/dbraw/zinc/39/71/38/804397138.db2.gz JPYKBWXFIUBSMR-CQSZACIVSA-N 1 0 263.381 3.008 20 10 CGCDRO COCC[C@H]1CCCC[N@@H+]1Cc1c(C)ccc(C)c1O ZINC001140180473 804397151 /nfs/dbraw/zinc/39/71/51/804397151.db2.gz XIXOVIVEBMMNLC-OAHLLOKOSA-N 1 0 277.408 3.400 20 10 CGCDRO Oc1cccc(Cl)c1C[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC001140344965 804419814 /nfs/dbraw/zinc/41/98/14/804419814.db2.gz OHGNJKVINADKMD-ZDUSSCGKSA-N 1 0 288.778 3.430 20 10 CGCDRO CO[C@H]1CCC[C@@H]2C[N@H+](Cc3c(O)cccc3Cl)C[C@@H]21 ZINC001140345553 804420676 /nfs/dbraw/zinc/42/06/76/804420676.db2.gz WFNCUXOSZNKASL-WQGACYEGSA-N 1 0 295.810 3.293 20 10 CGCDRO Oc1cc(Cl)ccc1C[N@@H+]1CCC2(C1)CCOCC2 ZINC001140467592 804443269 /nfs/dbraw/zinc/44/32/69/804443269.db2.gz YRMWDQWNRKWXHB-UHFFFAOYSA-N 1 0 281.783 3.048 20 10 CGCDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)c1O ZINC001140745721 804502802 /nfs/dbraw/zinc/50/28/02/804502802.db2.gz MTWMOPJCIFSDKX-NSHDSACASA-N 1 0 289.297 3.181 20 10 CGCDRO COc1ccccc1C[N@H+](C)Cc1ccc(O)c(C)c1O ZINC001140745326 804502990 /nfs/dbraw/zinc/50/29/90/804502990.db2.gz FUTADMKTDGDKPA-UHFFFAOYSA-N 1 0 287.359 3.047 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)c(O)c1 ZINC001140856206 804533060 /nfs/dbraw/zinc/53/30/60/804533060.db2.gz TURDBRCWYLLDEL-IYBDPMFKSA-N 1 0 288.435 3.326 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)CC(C)C)c(O)c1 ZINC001140851970 804533550 /nfs/dbraw/zinc/53/35/50/804533550.db2.gz WLWZDGVTDXTOMH-UHFFFAOYSA-N 1 0 264.413 3.326 20 10 CGCDRO CN(C)c1ccc(C[NH+]2CCC3(COC3)CC2)c(Cl)c1 ZINC001140921827 804549626 /nfs/dbraw/zinc/54/96/26/804549626.db2.gz RMBBASVQDQNZAT-UHFFFAOYSA-N 1 0 294.826 3.018 20 10 CGCDRO CC[NH+](CC)CCN(C)Cc1ccc(N(C)C)cc1Cl ZINC001140921359 804549699 /nfs/dbraw/zinc/54/96/99/804549699.db2.gz BZZIORAIBXQAMY-UHFFFAOYSA-N 1 0 297.874 3.180 20 10 CGCDRO Cc1ccc(C[N@@H+]2CC[C@@H](Oc3ccncc3C)C2)c(O)c1 ZINC001140953520 804557672 /nfs/dbraw/zinc/55/76/72/804557672.db2.gz AYEOHIZWYRADRB-MRXNPFEDSA-N 1 0 298.386 3.057 20 10 CGCDRO Cc1ccc(C[NH+]2CCC3(CCC(=O)CC3)CC2)c(O)c1 ZINC001140957784 804558330 /nfs/dbraw/zinc/55/83/30/804558330.db2.gz NUJUDOPUNUXSEV-UHFFFAOYSA-N 1 0 287.403 3.426 20 10 CGCDRO Cc1ccc(C[NH+]2CC3(C2)CC(F)(F)CS3)c(O)c1 ZINC001140958169 804558430 /nfs/dbraw/zinc/55/84/30/804558430.db2.gz TXJRIGYMPPNEMY-UHFFFAOYSA-N 1 0 285.359 3.027 20 10 CGCDRO CC[N@H+](Cc1ccccc1O)[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246860486 804565489 /nfs/dbraw/zinc/56/54/89/804565489.db2.gz IERTWQROUUAUMX-NVXWUHKLSA-N 1 0 290.451 3.381 20 10 CGCDRO CC[C@H]1CCC[N@H+](Cc2c(O)cc(OC)cc2OC)C1 ZINC001141029481 804574748 /nfs/dbraw/zinc/57/47/48/804574748.db2.gz UBKBNXQIJDSPST-LBPRGKRZSA-N 1 0 279.380 3.031 20 10 CGCDRO COc1cc(O)c(C[NH+]2C[C@H]3CCCC[C@@H]3C2)c(OC)c1 ZINC001141032089 804574903 /nfs/dbraw/zinc/57/49/03/804574903.db2.gz RQBHJPDKBMTQJR-CHWSQXEVSA-N 1 0 291.391 3.031 20 10 CGCDRO C[C@@H]1CCC[N@H+](Cc2ccc3c(c2)OCCN3C)C[C@H]1C ZINC001141140443 804596737 /nfs/dbraw/zinc/59/67/37/804596737.db2.gz MFVPKSMVVXWCCK-HUUCEWRRSA-N 1 0 288.435 3.383 20 10 CGCDRO C[C@H]1CCC[C@H](C)[NH+]1Cc1ccc2c(c1)OCCN2C ZINC001141139084 804597188 /nfs/dbraw/zinc/59/71/88/804597188.db2.gz ILGMRQCESGKTAP-KBPBESRZSA-N 1 0 274.408 3.278 20 10 CGCDRO Oc1ccc(O)c(C[N@@H+]2CCC[C@H]3CCCC[C@H]32)c1 ZINC001141160015 804599780 /nfs/dbraw/zinc/59/97/80/804599780.db2.gz PHXUPJFHEWWNJK-IUODEOHRSA-N 1 0 261.365 3.252 20 10 CGCDRO Oc1ccc(O)c(C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)c1 ZINC001141160014 804600181 /nfs/dbraw/zinc/60/01/81/804600181.db2.gz PHXUPJFHEWWNJK-DOMZBBRYSA-N 1 0 261.365 3.252 20 10 CGCDRO Cc1noc2ccc(C[N@@H+]3CCc4cccc(O)c4C3)cc12 ZINC001248709159 804972386 /nfs/dbraw/zinc/97/23/86/804972386.db2.gz UJEDZABFNQNLFG-UHFFFAOYSA-N 1 0 294.354 3.400 20 10 CGCDRO Cc1ccccc1[C@@H]1CCC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144504119 804995796 /nfs/dbraw/zinc/99/57/96/804995796.db2.gz MFCZFHPOTUGWBP-INIZCTEOSA-N 1 0 299.370 3.449 20 10 CGCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@H]2c2ccccc2)c(O)c1 ZINC001144508948 804997754 /nfs/dbraw/zinc/99/77/54/804997754.db2.gz FDBYFZSNYKMGSK-HNNXBMFYSA-N 1 0 285.343 3.141 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)C1 ZINC001249224303 805115347 /nfs/dbraw/zinc/11/53/47/805115347.db2.gz XDKNZDJNTNMFIK-GFCCVEGCSA-N 1 0 273.376 3.418 20 10 CGCDRO CC[NH+](CC)Cc1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256960919 807016882 /nfs/dbraw/zinc/01/68/82/807016882.db2.gz HESXSXZIFWOEIR-UHFFFAOYSA-N 1 0 296.374 3.369 20 10 CGCDRO Oc1ccc(C[NH2+][C@H]2Cc3cccc(Cl)c3C2)c(O)c1 ZINC001168698924 807489268 /nfs/dbraw/zinc/48/92/68/807489268.db2.gz MFENFHWAPQZDCH-LBPRGKRZSA-N 1 0 289.762 3.008 20 10 CGCDRO CCC[NH+]1CCC([N@H+](CC)Cc2ccccc2O)CC1 ZINC001258775829 807606408 /nfs/dbraw/zinc/60/64/08/807606408.db2.gz GRKQNTDMGYCGGQ-UHFFFAOYSA-N 1 0 276.424 3.089 20 10 CGCDRO CC(C)C1CCC([NH2+]Cc2ccc(O)c(O)c2)CC1 ZINC001258801036 807622316 /nfs/dbraw/zinc/62/23/16/807622316.db2.gz FZAJORDGELABGY-UHFFFAOYSA-N 1 0 263.381 3.402 20 10 CGCDRO Cc1cccc(C[NH2+][C@H]2CCc3cccc(F)c3C2)c1O ZINC001170967821 807947702 /nfs/dbraw/zinc/94/77/02/807947702.db2.gz BFWOPDBAANWICB-HNNXBMFYSA-N 1 0 285.362 3.487 20 10 CGCDRO CC1(C)C[C@H]([NH2+]Cc2cc3ccccc3cc2O)CO1 ZINC001172277816 808210676 /nfs/dbraw/zinc/21/06/76/808210676.db2.gz LDHHCSBOBBWXEN-HNNXBMFYSA-N 1 0 271.360 3.203 20 10 CGCDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)[C@@H]1COC(C)(C)C1 ZINC001172286195 808213348 /nfs/dbraw/zinc/21/33/48/808213348.db2.gz GCEOEPCUBIWYFT-KRWDZBQOSA-N 1 0 288.435 3.286 20 10 CGCDRO CCOCC[C@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC001172418863 808302496 /nfs/dbraw/zinc/30/24/96/808302496.db2.gz HGUKPQNRMLLFOH-KBPBESRZSA-N 1 0 264.413 3.218 20 10 CGCDRO CC(C)OCC[C@@H](C)[N@H+](C)Cc1ccccc1O ZINC001172454372 808324254 /nfs/dbraw/zinc/32/42/54/808324254.db2.gz JJFYGAKMJWBPRM-CYBMUJFWSA-N 1 0 251.370 3.028 20 10 CGCDRO CC[C@H]1CC[C@@H]([NH+]2CCN(c3ccc(OC)cc3)CC2)C1 ZINC001173273644 808577277 /nfs/dbraw/zinc/57/72/77/808577277.db2.gz NUYZFONVEUNUSI-DOTOQJQBSA-N 1 0 288.435 3.396 20 10 CGCDRO COc1ccc(N2CCC[C@@]3(CCC[N@H+](C)C3)C2)cc1F ZINC001277009552 809053163 /nfs/dbraw/zinc/05/31/63/809053163.db2.gz JPWSZUIEYSXMGV-QGZVFWFLSA-N 1 0 292.398 3.147 20 10 CGCDRO CO[C@@H](C[NH2+]C/C=C/c1ccc(N(C)C)cc1)CC(C)C ZINC001178977888 809896946 /nfs/dbraw/zinc/89/69/46/809896946.db2.gz RGYAIIADJFWSIO-IPLHWJFFSA-N 1 0 290.451 3.417 20 10 CGCDRO COc1ccc(N2CC[C@@H]([NH2+]C3CCC(C)CC3)C2)cc1 ZINC001179128769 809905783 /nfs/dbraw/zinc/90/57/83/809905783.db2.gz GOGOTYLLZATZOZ-UYSNPLJNSA-N 1 0 288.435 3.442 20 10 CGCDRO C[C@H]([NH2+]Cc1cc(-n2ccnc2)cs1)c1ccccc1O ZINC001179489954 809925067 /nfs/dbraw/zinc/92/50/67/809925067.db2.gz XPDRHOYYSQOBJF-LBPRGKRZSA-N 1 0 299.399 3.490 20 10 CGCDRO Oc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC001181741667 810069357 /nfs/dbraw/zinc/06/93/57/810069357.db2.gz TZDIIDRAVWPZKI-HIFRSBDPSA-N 1 0 281.783 3.189 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+][C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)c1 ZINC001183311403 810144272 /nfs/dbraw/zinc/14/42/72/810144272.db2.gz CDSWWCPUXYBGEP-XREXNNHRSA-N 1 0 277.408 3.417 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CC[C@@H](O)C1CCCC1 ZINC001183428789 810148272 /nfs/dbraw/zinc/14/82/72/810148272.db2.gz LAWYKOFKPIGSEY-GOSISDBHSA-N 1 0 290.451 3.092 20 10 CGCDRO COc1ccc(O)c(CNc2ccc3c([nH+]2)CCCC3)c1 ZINC001183674388 810156331 /nfs/dbraw/zinc/15/63/31/810156331.db2.gz XJZQJZWJPRFWSS-UHFFFAOYSA-N 1 0 284.359 3.287 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](CO)c2sccc2C)cc1C ZINC001193703614 810937245 /nfs/dbraw/zinc/93/72/45/810937245.db2.gz JLRANTWVVYJLRO-AWEZNQCLSA-N 1 0 291.416 3.197 20 10 CGCDRO Cc1nc([C@@H]2CCCN2Cc2ccc(N(C)C)cc2)[nH]c1C ZINC001197709857 811446430 /nfs/dbraw/zinc/44/64/30/811446430.db2.gz AMIWYAQYEFEXHW-KRWDZBQOSA-N 1 0 298.434 3.430 20 10 CGCDRO COc1cc(C[NH2+]C[C@H]2C[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC001199275257 811568783 /nfs/dbraw/zinc/56/87/83/811568783.db2.gz GWRHQMQTJWKNCT-NWDGAFQWSA-N 1 0 277.408 3.444 20 10 CGCDRO C[N@@H+](Cc1ccc(N2CCCC2)cc1)CC1CCOCC1 ZINC001202590620 812129078 /nfs/dbraw/zinc/12/90/78/812129078.db2.gz FZLJAXULOITZHR-UHFFFAOYSA-N 1 0 288.435 3.145 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@H]2C[C@@H](O)C23CCC3)cc1C ZINC001203128138 812247372 /nfs/dbraw/zinc/24/73/72/812247372.db2.gz SDAMNSXJMIDBMB-DLBZAZTESA-N 1 0 289.419 3.177 20 10 CGCDRO C[C@H](c1ccccc1)N1CC[NH+](Cc2ccccc2O)CC1 ZINC001203557080 812391456 /nfs/dbraw/zinc/39/14/56/812391456.db2.gz ZAQDCECCYIACSA-MRXNPFEDSA-N 1 0 296.414 3.271 20 10 CGCDRO CC1(C)CCC2(CC[NH+](Cc3ccccc3O)CC2)O1 ZINC001203561257 812392522 /nfs/dbraw/zinc/39/25/22/812392522.db2.gz NXLKRLNHIALTQJ-UHFFFAOYSA-N 1 0 275.392 3.316 20 10 CGCDRO COc1cccc(C[N@@H+]2CCC[C@@H](C)[C@@H](C)C2)c1O ZINC001203586102 812401294 /nfs/dbraw/zinc/40/12/94/812401294.db2.gz YLXWDSGRWNNSAI-OLZOCXBDSA-N 1 0 263.381 3.269 20 10 CGCDRO CCOc1cccc(C[N@H+]2C[C@H]3[C@H](CCC3(F)F)C2)c1O ZINC001203603445 812405450 /nfs/dbraw/zinc/40/54/50/812405450.db2.gz PMIDYDJVRWECOF-YPMHNXCESA-N 1 0 297.345 3.268 20 10 CGCDRO COc1cccc([C@H]2CC[N@H+](Cc3ccc(O)c(O)c3)C2)c1 ZINC001203878785 812478252 /nfs/dbraw/zinc/47/82/52/812478252.db2.gz BSGLIPWTPDKKLT-HNNXBMFYSA-N 1 0 299.370 3.096 20 10 CGCDRO COc1ccccc1[C@@H]1CC[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203874191 812478545 /nfs/dbraw/zinc/47/85/45/812478545.db2.gz SHXHPZDWLSKKNS-CQSZACIVSA-N 1 0 299.370 3.096 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](F)C(F)(F)CC2)cc1 ZINC001203930279 812494861 /nfs/dbraw/zinc/49/48/61/812494861.db2.gz QUZGGSGHAYQAJW-AWEZNQCLSA-N 1 0 286.341 3.322 20 10 CGCDRO Oc1cc2c(cc1O)C[N@H+](Cc1cccs1)CCC2 ZINC001204018609 812521811 /nfs/dbraw/zinc/52/18/11/812521811.db2.gz PPBWZIBMVRKQTI-UHFFFAOYSA-N 1 0 275.373 3.108 20 10 CGCDRO CO[C@@H]1CC[N@H+](Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001204235067 812581981 /nfs/dbraw/zinc/58/19/81/812581981.db2.gz FMPJGVLBIFTSLJ-OAHLLOKOSA-N 1 0 284.403 3.127 20 10 CGCDRO Oc1ccc(C[N@@H+]2CCC[C@H]2c2cccs2)c(O)c1 ZINC001204274519 812591938 /nfs/dbraw/zinc/59/19/38/812591938.db2.gz CUCDVMKCNHVFEI-ZDUSSCGKSA-N 1 0 275.373 3.496 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)C[C@@H]1F ZINC001204323211 812612945 /nfs/dbraw/zinc/61/29/45/812612945.db2.gz GAPRMAWCTMSIIJ-CJNGLKHVSA-N 1 0 262.372 3.077 20 10 CGCDRO C[C@H]1C[C@@H](CF)[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204326539 812614751 /nfs/dbraw/zinc/61/47/51/812614751.db2.gz ZPWOUANXQNMSLS-YOEHRIQHSA-N 1 0 276.399 3.467 20 10 CGCDRO CC[N@H+](Cc1cnn(C)c1)Cc1cc(C(C)C)ccc1O ZINC001204563439 812678784 /nfs/dbraw/zinc/67/87/84/812678784.db2.gz CHOFYMPYVKIOTQ-UHFFFAOYSA-N 1 0 287.407 3.271 20 10 CGCDRO CC[N@H+](Cc1nc2ccccc2[nH]1)Cc1ccccc1O ZINC001204793299 812738146 /nfs/dbraw/zinc/73/81/46/812738146.db2.gz HVDNMDVVXJGPKU-UHFFFAOYSA-N 1 0 281.359 3.291 20 10 CGCDRO CCOC[C@@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)cc1C ZINC001206239699 813251443 /nfs/dbraw/zinc/25/14/43/813251443.db2.gz KXZWNTPRGCLJOF-SFHVURJKSA-N 1 0 290.451 3.452 20 10 CGCDRO CCOC[C@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)cc1C ZINC001206239698 813251847 /nfs/dbraw/zinc/25/18/47/813251847.db2.gz KXZWNTPRGCLJOF-GOSISDBHSA-N 1 0 290.451 3.452 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2ccc3[nH]ccc3c2)c1 ZINC001206715784 813407008 /nfs/dbraw/zinc/40/70/08/813407008.db2.gz XQOGRYFDKGDUGU-UHFFFAOYSA-N 1 0 266.344 3.472 20 10 CGCDRO Cc1cc(CN(C)Cc2ccc(N3CCCC3)cc2)no1 ZINC001206818990 813445879 /nfs/dbraw/zinc/44/58/79/813445879.db2.gz OUMZQMQZKKXZAI-UHFFFAOYSA-N 1 0 285.391 3.215 20 10 CGCDRO CC[N@H+](Cc1c(C)noc1C)Cc1ccccc1O ZINC001207139999 813496156 /nfs/dbraw/zinc/49/61/56/813496156.db2.gz WAPMSQVQKVKSQV-UHFFFAOYSA-N 1 0 260.337 3.019 20 10 CGCDRO CC(C)(C)[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)CCO1 ZINC001207837775 813657653 /nfs/dbraw/zinc/65/76/53/813657653.db2.gz SPPBVTCBMLWBTI-HNNXBMFYSA-N 1 0 281.371 3.168 20 10 CGCDRO CC[N@H+](CCCC(C)(C)OC(C)=O)Cc1ccccc1O ZINC001209154954 813950390 /nfs/dbraw/zinc/95/03/90/813950390.db2.gz BRSHONWSKALJBK-UHFFFAOYSA-N 1 0 293.407 3.336 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CCC[C@@H](CO)C2)cc1 ZINC001209519006 814073147 /nfs/dbraw/zinc/07/31/47/814073147.db2.gz PMJPCLMWDMWRLM-GOSISDBHSA-N 1 0 298.430 3.298 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CCN(C)[C@H](C)C2)cc1 ZINC001209519933 814073348 /nfs/dbraw/zinc/07/33/48/814073348.db2.gz KHEFYMSQRQMVOG-QGZVFWFLSA-N 1 0 297.446 3.230 20 10 CGCDRO C[NH+](C)CCc1ccc(Nc2ccc3c(c2)OCCN3)cc1 ZINC001209789039 814139223 /nfs/dbraw/zinc/13/92/23/814139223.db2.gz UTTIKDPSPXUQIY-UHFFFAOYSA-N 1 0 297.402 3.339 20 10 CGCDRO C[NH2+][C@H](c1nnc(-c2ccc(-n3cccc3)cc2)o1)C(C)C ZINC001217727266 815950653 /nfs/dbraw/zinc/95/06/53/815950653.db2.gz OGYZGBDPGIPCSD-HNNXBMFYSA-N 1 0 296.374 3.444 20 10 CGCDRO c1ccc(/N=N/c2ccc(OC[C@H]3C[NH2+]CCO3)cc2)cc1 ZINC001218179379 816118006 /nfs/dbraw/zinc/11/80/06/816118006.db2.gz OQSFZCYFQMTJSN-NHKNDPDJSA-N 1 0 297.358 3.469 20 10 CGCDRO C[NH+]1C(C)(C)CC(Oc2ccc(N)cc2)CC1(C)C ZINC001218314488 816163368 /nfs/dbraw/zinc/16/33/68/816163368.db2.gz AVUADQSRQFTKSN-UHFFFAOYSA-N 1 0 262.397 3.299 20 10 CGCDRO Cc1cc(O)c(CN2CCC[C@]23CCC[NH2+]C3)cc1Cl ZINC001222248600 816386786 /nfs/dbraw/zinc/38/67/86/816386786.db2.gz LKABISISJVZASZ-INIZCTEOSA-N 1 0 294.826 3.072 20 10 CGCDRO [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222272098 816392154 /nfs/dbraw/zinc/39/21/54/816392154.db2.gz NRIWANOCLXQKBT-MRXNPFEDSA-N 1 0 294.826 3.011 20 10 CGCDRO Oc1c(CN2CCC[C@]3(CCC[NH2+]3)C2)ccc2ccccc21 ZINC001222355239 816418086 /nfs/dbraw/zinc/41/80/86/816418086.db2.gz QHHLSUAMUDDVCP-LJQANCHMSA-N 1 0 296.414 3.263 20 10 CGCDRO Oc1cc(Cl)ccc1CN1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222389597 816429178 /nfs/dbraw/zinc/42/91/78/816429178.db2.gz CLJZEECXGJMPGD-INIZCTEOSA-N 1 0 294.826 3.154 20 10 CGCDRO Oc1cc(OCc2ccccc2)ccc1C[NH+]1CC=CC1 ZINC001231466796 818103897 /nfs/dbraw/zinc/10/38/97/818103897.db2.gz VZOQCXANUVTUSU-UHFFFAOYSA-N 1 0 281.355 3.343 20 10 CGCDRO C[C@H]1C[N@H+](Cc2c(O)ccc3ccccc32)CC[C@@]1(C)O ZINC001231586699 818129076 /nfs/dbraw/zinc/12/90/76/818129076.db2.gz LACNTBVLZSMNJU-SCLBCKFNSA-N 1 0 285.387 3.138 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCCC[C@](C)(F)C2)c1O ZINC001231590634 818131420 /nfs/dbraw/zinc/13/14/20/818131420.db2.gz CNKBHTGQVRTNFT-HNNXBMFYSA-N 1 0 251.345 3.415 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCC[C@H](c3ccccn3)C2)c1O ZINC001231593294 818131544 /nfs/dbraw/zinc/13/15/44/818131544.db2.gz UATFXXTWENSQFZ-HNNXBMFYSA-N 1 0 282.387 3.475 20 10 CGCDRO COc1cc(F)ccc1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001231604419 818136946 /nfs/dbraw/zinc/13/69/46/818136946.db2.gz AGMLQWNWWZLRCO-UHFFFAOYSA-N 1 0 287.334 3.098 20 10 CGCDRO Cc1cc(C)c(C[N@@H+]2CCc3c(O)cccc3C2)c(O)c1 ZINC001231841416 818185806 /nfs/dbraw/zinc/18/58/06/818185806.db2.gz AUNLCCIREVHJRM-UHFFFAOYSA-N 1 0 283.371 3.273 20 10 CGCDRO Cc1cc(C)c(C[N@@H+]2CC[C@H](Oc3ccncc3)C2)c(O)c1 ZINC001231847944 818187774 /nfs/dbraw/zinc/18/77/74/818187774.db2.gz GDJNSFITNNFMLB-INIZCTEOSA-N 1 0 298.386 3.057 20 10 CGCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H](C)CC1 ZINC001231851378 818188284 /nfs/dbraw/zinc/18/82/84/818188284.db2.gz GONHKGFGASBXFY-CQSZACIVSA-N 1 0 276.424 3.383 20 10 CGCDRO COc1cc(N(C)C)ccc1C[N@@H+]1C[C@H](C)CC12CC2 ZINC001231858512 818190772 /nfs/dbraw/zinc/19/07/72/818190772.db2.gz WVHMIUNYLKDPBF-CYBMUJFWSA-N 1 0 274.408 3.136 20 10 CGCDRO CSCC[N@H+](C)Cc1cc(Cl)c(C)cc1O ZINC001231870009 818193649 /nfs/dbraw/zinc/19/36/49/818193649.db2.gz FUWGZZBVGSZQDN-UHFFFAOYSA-N 1 0 259.802 3.149 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H]3CCCO[C@@H]3C2)cc1Cl ZINC001231868819 818194102 /nfs/dbraw/zinc/19/41/02/818194102.db2.gz ZBCZDJTXSLNATM-BLLLJJGKSA-N 1 0 295.810 3.355 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2ccc3ccccc3c2O)CCCC1=O ZINC001231879340 818199933 /nfs/dbraw/zinc/19/99/33/818199933.db2.gz BXMNJPGJXYALBH-CYBMUJFWSA-N 1 0 283.371 3.346 20 10 CGCDRO Oc1c(CN2CCC[N@@H+]3CCC[C@@H]3C2)ccc2ccccc21 ZINC001231883100 818201853 /nfs/dbraw/zinc/20/18/53/818201853.db2.gz YCIGYSDLAFFKBN-QGZVFWFLSA-N 1 0 296.414 3.216 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)Cc2cc3ncccc3[nH]2)cc1 ZINC001232066930 818245919 /nfs/dbraw/zinc/24/59/19/818245919.db2.gz FZACNRYTXNZIDA-UHFFFAOYSA-N 1 0 294.402 3.261 20 10 CGCDRO Cc1ccc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)c(C)n1 ZINC001232084179 818251244 /nfs/dbraw/zinc/25/12/44/818251244.db2.gz FAYCJLILHWZUHV-UHFFFAOYSA-N 1 0 283.419 3.396 20 10 CGCDRO CCC[N@H+](C)Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232198293 818274726 /nfs/dbraw/zinc/27/47/26/818274726.db2.gz OXLCURRASRRZNU-UHFFFAOYSA-N 1 0 282.815 3.018 20 10 CGCDRO C[N@H+](Cc1ccccc1)Cc1cc(Cl)c(O)cc1O ZINC001232259420 818295456 /nfs/dbraw/zinc/29/54/56/818295456.db2.gz YCYNVDYDBGKQSC-UHFFFAOYSA-N 1 0 277.751 3.383 20 10 CGCDRO Oc1cc(O)c(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)cc1Cl ZINC001232259561 818295651 /nfs/dbraw/zinc/29/56/51/818295651.db2.gz LBKUJTOXPRQZSB-PHIMTYICSA-N 1 0 281.783 3.373 20 10 CGCDRO C[C@H]1C[N@H+](Cc2cc(Cl)c(O)cc2O)C2(CC2)C1 ZINC001232263565 818297001 /nfs/dbraw/zinc/29/70/01/818297001.db2.gz ROPDRFSRWBHTCO-SECBINFHSA-N 1 0 267.756 3.126 20 10 CGCDRO C[C@H]1CCCC[N@H+](Cc2ccc(N(C)C)cc2O)C1 ZINC001232833711 818451343 /nfs/dbraw/zinc/45/13/43/818451343.db2.gz CXOFTAYDOMVAKL-ZDUSSCGKSA-N 1 0 262.397 3.080 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCc3sccc3C2)c(O)c1 ZINC001232835304 818451682 /nfs/dbraw/zinc/45/16/82/818451682.db2.gz AGELHVBAJPSCOK-UHFFFAOYSA-N 1 0 288.416 3.078 20 10 CGCDRO Cn1cc(C[N@H+](C)Cc2cc(C(C)(C)C)ccc2O)cn1 ZINC001233283459 818565554 /nfs/dbraw/zinc/56/55/54/818565554.db2.gz HRYFELMVVUUTDK-UHFFFAOYSA-N 1 0 287.407 3.055 20 10 CGCDRO CC(C)(C)c1ccc(O)c(C[N@H+]2C[C@H]3CC[C@@H](C2)C3=O)c1 ZINC001233286444 818567394 /nfs/dbraw/zinc/56/73/94/818567394.db2.gz UNQRMZKFEUUMGA-BETUJISGSA-N 1 0 287.403 3.101 20 10 CGCDRO [O-]c1ccc(F)c(F)c1C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC001233331531 818582407 /nfs/dbraw/zinc/58/24/07/818582407.db2.gz AANNAHBDIAEBSW-AWEZNQCLSA-N 1 0 290.313 3.403 20 10 CGCDRO CCC(CC)Oc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC001234657206 818907514 /nfs/dbraw/zinc/90/75/14/818907514.db2.gz CMRWNDGJLWCOEW-UHFFFAOYSA-N 1 0 276.424 3.396 20 10 CGCDRO CCOC1C[NH+](Cc2cccc(-c3ccccc3)c2O)C1 ZINC001234990689 818969309 /nfs/dbraw/zinc/96/93/09/818969309.db2.gz JQBMAQBIUKLLHG-UHFFFAOYSA-N 1 0 283.371 3.280 20 10 CGCDRO CC(C)(C)c1cccc(CN2C[C@H]3CCC[C@@]3([NH3+])C2)c1O ZINC001235244492 819046080 /nfs/dbraw/zinc/04/60/80/819046080.db2.gz FLSVYTSQOJWCSX-RDTXWAMCSA-N 1 0 288.435 3.003 20 10 CGCDRO COc1cc(C[N@H+](C)Cc2ccccc2O)cc(F)c1F ZINC001235439262 819100281 /nfs/dbraw/zinc/10/02/81/819100281.db2.gz JCRSTFQRTOHAHE-UHFFFAOYSA-N 1 0 293.313 3.311 20 10 CGCDRO CC(C)(C)c1ccc(C[N@@H+]2CCC[C@@H](O)CC2)c(O)c1 ZINC001235675910 819136829 /nfs/dbraw/zinc/13/68/29/819136829.db2.gz LXXHHSHNJVINDT-OAHLLOKOSA-N 1 0 277.408 3.037 20 10 CGCDRO C[C@@H]1COCC[N@H+](Cc2ccc(C(C)(C)C)cc2O)C1 ZINC001235676751 819137250 /nfs/dbraw/zinc/13/72/50/819137250.db2.gz SVKQOEINJSUNSD-ZDUSSCGKSA-N 1 0 277.408 3.158 20 10 CGCDRO CC(C)(C)c1ccc(C[N@@H+]2CC[C@@]23CCOC3)c(O)c1 ZINC001235679240 819138137 /nfs/dbraw/zinc/13/81/37/819138137.db2.gz DQCFOWMUFSHMST-KRWDZBQOSA-N 1 0 275.392 3.055 20 10 CGCDRO CC(C)(C)c1ccc(C[N@@H+]2CCCCC23COC3)c(O)c1 ZINC001235686231 819141906 /nfs/dbraw/zinc/14/19/06/819141906.db2.gz YUJWYYCYRVIWGT-UHFFFAOYSA-N 1 0 289.419 3.445 20 10 CGCDRO CN(Cc1cc(Cl)c(C(C)(C)C)cc1O)[C@@H]1CC[NH2+]C1 ZINC001235741680 819159348 /nfs/dbraw/zinc/15/93/48/819159348.db2.gz OPGYKBGPMTVQCA-GFCCVEGCSA-N 1 0 296.842 3.137 20 10 CGCDRO Cc1ccc(C)c(C[N@@H+]2CCN[C@H](c3ccccc3)C2)c1O ZINC001235856237 819186921 /nfs/dbraw/zinc/18/69/21/819186921.db2.gz WTKSRNCZODRANX-SFHVURJKSA-N 1 0 296.414 3.156 20 10 CGCDRO C[C@H]1CC[C@@H]([NH3+])CN1Cc1c(O)ccc(Cl)c1Cl ZINC001235891838 819200673 /nfs/dbraw/zinc/20/06/73/819200673.db2.gz JTKAJAOXVYHJPU-DTWKUNHWSA-N 1 0 289.206 3.011 20 10 CGCDRO Cc1cc(CN2C[C@H]([NH3+])CC[C@@H]2C)c(C)n1-c1ccccc1 ZINC001235892467 819201310 /nfs/dbraw/zinc/20/13/10/819201310.db2.gz RHFUVEOLPVLXLB-KBXCAEBGSA-N 1 0 297.446 3.406 20 10 CGCDRO C[C@H]1CC[C@@H]([NH3+])CN1Cc1ccc(C(C)(C)C)cc1O ZINC001235902872 819211832 /nfs/dbraw/zinc/21/18/32/819211832.db2.gz GWCLJASQRNDVBG-SWLSCSKDSA-N 1 0 276.424 3.001 20 10 CGCDRO CCN(CC)c1ccc(CN(CC)[C@H]2CCC[NH2+]C2)cc1 ZINC001236004643 819270773 /nfs/dbraw/zinc/27/07/73/819270773.db2.gz HBKDERKZABXMKK-SFHVURJKSA-N 1 0 289.467 3.107 20 10 CGCDRO CCN(Cc1cc2ccccc2cc1O)[C@@H]1CCC[NH2+]C1 ZINC001236010986 819274474 /nfs/dbraw/zinc/27/44/74/819274474.db2.gz VHGCQOKDZCHVQH-QGZVFWFLSA-N 1 0 284.403 3.119 20 10 CGCDRO CCCC[C@H]1CN(Cc2cc(Cl)cc(C)c2O)CC[NH2+]1 ZINC001236140279 819340861 /nfs/dbraw/zinc/34/08/61/819340861.db2.gz CLZKHISFKBZKSA-HNNXBMFYSA-N 1 0 296.842 3.318 20 10 CGCDRO CCCN(Cc1ccc(N(CC)CC)cc1)[C@@H]1CC[NH2+]C1 ZINC001236323196 819425900 /nfs/dbraw/zinc/42/59/00/819425900.db2.gz XNQPFZKTOAZMLM-GOSISDBHSA-N 1 0 289.467 3.107 20 10 CGCDRO Cc1cc(C[N@@H+]2CCc3c(N)cccc3C2)ccc1N(C)C ZINC001236364068 819435991 /nfs/dbraw/zinc/43/59/91/819435991.db2.gz PDQKKQSKNKVNOU-UHFFFAOYSA-N 1 0 295.430 3.202 20 10 CGCDRO Cc1cc(CN(CC[NH3+])Cc2ccccc2)ccc1N(C)C ZINC001236520939 819513108 /nfs/dbraw/zinc/51/31/08/819513108.db2.gz FKCHGTIVORAZLM-UHFFFAOYSA-N 1 0 297.446 3.022 20 10 CGCDRO [O-]c1c(F)cccc1C[N@H+]([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236653211 819563342 /nfs/dbraw/zinc/56/33/42/819563342.db2.gz PIAWVYJYFCRFLH-HNNXBMFYSA-N 1 0 292.398 3.028 20 10 CGCDRO COc1cc(O)c(C[N@H+](C)[C@H]2CC[C@H](C)CC2)cc1OC ZINC001236757179 819590546 /nfs/dbraw/zinc/59/05/46/819590546.db2.gz NXBMDSQQWZFABN-MQMHXKEQSA-N 1 0 293.407 3.420 20 10 CGCDRO CCc1ccc(C[N@@H+]2CC[C@@](C)(F)[C@H](F)C2)c(O)c1 ZINC001236783899 819593347 /nfs/dbraw/zinc/59/33/47/819593347.db2.gz PNWLEEMILXTQLF-HUUCEWRRSA-N 1 0 269.335 3.227 20 10 CGCDRO CCc1ccc(C[NH+]2CCC(C)(F)CC2)c(O)c1 ZINC001236784263 819595368 /nfs/dbraw/zinc/59/53/68/819595368.db2.gz SYHNMYBGSRXIGT-UHFFFAOYSA-N 1 0 251.345 3.279 20 10 CGCDRO CCc1ccc(C[N@H+](C(C)C)C2CCN(C)CC2)c(O)c1 ZINC001236787203 819595383 /nfs/dbraw/zinc/59/53/83/819595383.db2.gz HIEOZZABKPJAGZ-UHFFFAOYSA-N 1 0 290.451 3.259 20 10 CGCDRO CCc1ccc(CN2CCC([NH+](CC)CC)CC2)c(O)c1 ZINC001236786704 819595518 /nfs/dbraw/zinc/59/55/18/819595518.db2.gz GWUIQKGGBXNSOL-UHFFFAOYSA-N 1 0 290.451 3.261 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CCCC[C@@](C)(F)C2)c(O)c1 ZINC001236807686 819602249 /nfs/dbraw/zinc/60/22/49/819602249.db2.gz IXSUUKFKRACXGU-MRXNPFEDSA-N 1 0 281.371 3.423 20 10 CGCDRO COc1cc(O)c(C[NH+]2C3CCC2CC3)c(Cl)c1 ZINC001236804543 819602800 /nfs/dbraw/zinc/60/28/00/819602800.db2.gz VXVMQKQINFEXPQ-UHFFFAOYSA-N 1 0 267.756 3.181 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CC[C@@H](c3ccncc3)C2)c(O)c1 ZINC001236812859 819603699 /nfs/dbraw/zinc/60/36/99/819603699.db2.gz FXDVOLFKRQDBHW-OAHLLOKOSA-N 1 0 298.386 3.094 20 10 CGCDRO Oc1cc2ccccc2cc1C[N@@H+]1CC[C@@H]2CCO[C@H]2C1 ZINC001236827193 819610050 /nfs/dbraw/zinc/61/00/50/819610050.db2.gz QXILPSDXEWFHHM-ACJLOTCBSA-N 1 0 283.371 3.156 20 10 CGCDRO C[N@@H+]1CC[C@]2(CC[NH+](Cc3cc4ccccc4cc3O)C2)C1 ZINC001236836297 819615326 /nfs/dbraw/zinc/61/53/26/819615326.db2.gz GMMKDHUSSIQCAA-IBGZPJMESA-N 1 0 296.414 3.073 20 10 CGCDRO C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cc4ccccc4cc3O)C2)C1 ZINC001236836303 819615566 /nfs/dbraw/zinc/61/55/66/819615566.db2.gz GMMKDHUSSIQCAA-LJQANCHMSA-N 1 0 296.414 3.073 20 10 CGCDRO CC(C)OC1C[NH+](Cc2cc3ccccc3cc2O)C1 ZINC001236837636 819616334 /nfs/dbraw/zinc/61/63/34/819616334.db2.gz SBJFCJNQFYPFDL-UHFFFAOYSA-N 1 0 271.360 3.155 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2CCC[C@H](CO)CC2)c(O)c1 ZINC001237044872 819649720 /nfs/dbraw/zinc/64/97/20/819649720.db2.gz FEXIXKILWANAEB-AWEZNQCLSA-N 1 0 277.408 3.110 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2CCC[C@](O)(CF)CC2)c(O)c1 ZINC001237047026 819650160 /nfs/dbraw/zinc/65/01/60/819650160.db2.gz YQOQAFUAAQRFTH-QGZVFWFLSA-N 1 0 295.398 3.202 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2CCC[C@@]3(CCO3)C2)c(O)c1 ZINC001237048106 819651850 /nfs/dbraw/zinc/65/18/50/819651850.db2.gz CZJIGJDWHBUOCW-QGZVFWFLSA-N 1 0 275.392 3.271 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2CCc3c(cc[nH]c3=O)C2)c(O)c1 ZINC001237056219 819654023 /nfs/dbraw/zinc/65/40/23/819654023.db2.gz VFBYWEWURDDKCN-UHFFFAOYSA-N 1 0 298.386 3.175 20 10 CGCDRO Oc1cccc(OC(F)(F)F)c1C[N@@H+]1CCC[C@H]2C[C@H]21 ZINC001237115999 819671467 /nfs/dbraw/zinc/67/14/67/819671467.db2.gz VTELQJDJXIOLJW-GXSJLCMTSA-N 1 0 287.281 3.275 20 10 CGCDRO CC1CC([N@H+](C)Cc2c(O)ccc(F)c2Cl)C1 ZINC001237121482 819673102 /nfs/dbraw/zinc/67/31/02/819673102.db2.gz OIMKEXCQPPSBAC-UHFFFAOYSA-N 1 0 257.736 3.415 20 10 CGCDRO CCC[N@H+](C)Cc1c(O)cccc1OC(F)(F)F ZINC001237121249 819673901 /nfs/dbraw/zinc/67/39/01/819673901.db2.gz WVSADWOCGILLKL-UHFFFAOYSA-N 1 0 263.259 3.133 20 10 CGCDRO CC(C)O[C@H]1CC[N@H+](Cc2c(O)ccc(F)c2Cl)C1 ZINC001237127870 819675001 /nfs/dbraw/zinc/67/50/01/819675001.db2.gz HBOWLXDJNHIDMH-JTQLQIEISA-N 1 0 287.762 3.184 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(CN2C[C@@H]([NH3+])C[C@H]2C)cc1 ZINC001237203461 819697513 /nfs/dbraw/zinc/69/75/13/819697513.db2.gz GTWUYFFOTYHGFE-WBVHZDCISA-N 1 0 283.419 3.016 20 10 CGCDRO Cc1cccc(O)c1CN1CC(Oc2ccccc2F)C1 ZINC001237486687 819762516 /nfs/dbraw/zinc/76/25/16/819762516.db2.gz BOUVJXDUJDMOBS-UHFFFAOYSA-N 1 0 287.334 3.103 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+](CCCCCO)C(C)C ZINC001237496227 819763858 /nfs/dbraw/zinc/76/38/58/819763858.db2.gz XHBSEHRSBIHJAX-UHFFFAOYSA-N 1 0 265.397 3.074 20 10 CGCDRO COc1c(C)cccc1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001237508055 819767581 /nfs/dbraw/zinc/76/75/81/819767581.db2.gz PMKRERSSXPMORV-UHFFFAOYSA-N 1 0 283.371 3.268 20 10 CGCDRO COc1cc(C[N@@H+]2CCC[C@](C)(F)CC2)c(O)c(OC)c1 ZINC001237675594 819804892 /nfs/dbraw/zinc/80/48/92/819804892.db2.gz YFEAPHLJVHINGN-INIZCTEOSA-N 1 0 297.370 3.124 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+]2C[C@H]3CCCC(=O)[C@@H]3C2)c1O ZINC001237690142 819807654 /nfs/dbraw/zinc/80/76/54/819807654.db2.gz MUCJPKJLLKMIFW-BXUZGUMPSA-N 1 0 293.794 3.155 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2CF)c1O ZINC001237688931 819809582 /nfs/dbraw/zinc/80/95/82/819809582.db2.gz LHKTWBRVENVCKX-GFCCVEGCSA-N 1 0 257.736 3.288 20 10 CGCDRO Cc1cc(F)cc(C[N@@H+](C(C)C)C2CCN(C)CC2)c1O ZINC001238066809 819922187 /nfs/dbraw/zinc/92/21/87/819922187.db2.gz LVPNRGNZSKMTKQ-UHFFFAOYSA-N 1 0 294.414 3.144 20 10 CGCDRO CO[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)c(C)cc2O)C1 ZINC001347393981 936882534 /nfs/dbraw/zinc/88/25/34/936882534.db2.gz FWFZQYCHWXABOM-NWDGAFQWSA-N 1 0 269.772 3.011 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCOC23CCCC3)c1 ZINC001352751114 937048490 /nfs/dbraw/zinc/04/84/90/937048490.db2.gz SXMXORFTQHOAJW-LRDDRELGSA-N 1 0 291.391 3.153 20 10 CGCDRO COc1ccc(C[NH2+]C2(C)CCC(C)CC2)c(O)c1OC ZINC001355245061 937132666 /nfs/dbraw/zinc/13/26/66/937132666.db2.gz ZOBGXHUVDLGVLS-UHFFFAOYSA-N 1 0 293.407 3.468 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]C[C@@H]1C[C@@H]1C1CCCC1 ZINC001561051910 937239824 /nfs/dbraw/zinc/23/98/24/937239824.db2.gz MKZMERCGWNLPOD-SWLSCSKDSA-N 1 0 263.356 3.447 20 10 CGCDRO COc1cccc(C[NH2+]C[C@@H]2CCCC[C@@H]2C)c1O ZINC000042857235 928646383 /nfs/dbraw/zinc/64/63/83/928646383.db2.gz KNGAFIKMKCRFRT-STQMWFEESA-N 1 0 263.381 3.317 20 10 CGCDRO COCC[C@H](C)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000840838110 931968994 /nfs/dbraw/zinc/96/89/94/931968994.db2.gz POQZZCUUBONMNA-UONOGXRCSA-N 1 0 264.413 3.076 20 10 CGCDRO CCCCOCCC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001461002587 937559213 /nfs/dbraw/zinc/55/92/13/937559213.db2.gz ZKTBZMFPPXMSDW-UHFFFAOYSA-N 1 0 277.408 3.308 20 10 CGCDRO CC[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2C)[C@H](CC)CO1 ZINC001462415259 937639282 /nfs/dbraw/zinc/63/92/82/937639282.db2.gz PGGOLHIFMGDZPF-SJLPKXTDSA-N 1 0 290.451 3.450 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+]C[C@H]2CCN2C(C)(C)C)c1 ZINC001462428437 937640772 /nfs/dbraw/zinc/64/07/72/937640772.db2.gz RHWCWCDFMGHWCQ-MRXNPFEDSA-N 1 0 290.451 3.478 20 10 CGCDRO COc1cc(C)c(C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)c(O)c1 ZINC001462450276 937642601 /nfs/dbraw/zinc/64/26/01/937642601.db2.gz ATFWGFVLWYXNSW-HZSPNIEDSA-N 1 0 275.392 3.235 20 10 CGCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](C3CCC3)C2)c1O ZINC001307842792 933006769 /nfs/dbraw/zinc/00/67/69/933006769.db2.gz JEOVFULBRWYPJU-CYBMUJFWSA-N 1 0 291.366 3.356 20 10 CGCDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@](C)(O)c1ccco1 ZINC001308294361 933091781 /nfs/dbraw/zinc/09/17/81/933091781.db2.gz BNYLTTIIMBBVPC-SFHVURJKSA-N 1 0 298.386 3.077 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]CCCc1ccsc1 ZINC001462663090 937657721 /nfs/dbraw/zinc/65/77/21/937657721.db2.gz GRVJDVAXOLVETH-UHFFFAOYSA-N 1 0 265.353 3.315 20 10 CGCDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(C)cc2O)C1(C)C ZINC001308567782 933134789 /nfs/dbraw/zinc/13/47/89/933134789.db2.gz OUZUUQNDYBJGAB-CVEARBPZSA-N 1 0 277.408 3.336 20 10 CGCDRO CCC1(C[NH2+]Cc2c(C)cc(OC)cc2O)CCOCC1 ZINC001308767332 933172955 /nfs/dbraw/zinc/17/29/55/933172955.db2.gz PFPPQVUYVFWYFL-UHFFFAOYSA-N 1 0 293.407 3.006 20 10 CGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CC[C@H](O)C23CCCC3)c1 ZINC001308792502 933177466 /nfs/dbraw/zinc/17/74/66/933177466.db2.gz PQBGIKGLFQXHGZ-KRWDZBQOSA-N 1 0 289.419 3.395 20 10 CGCDRO Oc1cc(Cl)ccc1C[NH2+]C[C@H]1CCC2(CCC2)CO1 ZINC001308940769 933209031 /nfs/dbraw/zinc/20/90/31/933209031.db2.gz IFCPUZZKARHCAX-CQSZACIVSA-N 1 0 295.810 3.485 20 10 CGCDRO COC[C@@H]([NH2+]Cc1ccc(C)cc1O)c1ccc(F)cc1 ZINC001474748576 934040948 /nfs/dbraw/zinc/04/09/48/934040948.db2.gz TXPREOZLBJPMQV-MRXNPFEDSA-N 1 0 289.350 3.317 20 10 CGCDRO CO[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccc(C)c(C)c2O)C1 ZINC001320778671 934102474 /nfs/dbraw/zinc/10/24/74/934102474.db2.gz HNGWBSDZSAZTIS-HZSPNIEDSA-N 1 0 263.381 3.227 20 10 CGCDRO CO[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001321663335 934203425 /nfs/dbraw/zinc/20/34/25/934203425.db2.gz SSIGLQGQAQVXJK-ROUUACIJSA-N 1 0 288.435 3.334 20 10 CGCDRO Cc1occc1C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001322610449 934319635 /nfs/dbraw/zinc/31/96/35/934319635.db2.gz HAQUOPOPGMRIIL-UHFFFAOYSA-N 1 0 270.376 3.478 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCCC[C@@H]1N(C)C)c1cc(F)ccc1O ZINC001323831248 934428887 /nfs/dbraw/zinc/42/88/87/934428887.db2.gz KPAMWDNWVWNWRD-CQDKDKBSSA-N 1 0 280.387 3.055 20 10 CGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+][C@H]1CCCOC1 ZINC001326707962 935000617 /nfs/dbraw/zinc/00/06/17/935000617.db2.gz FZBPAGLABZRVQK-RWMBFGLXSA-N 1 0 261.365 3.018 20 10 CGCDRO CCO[C@H]1C[C@@H]([NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3C)C1 ZINC001327375351 935056388 /nfs/dbraw/zinc/05/63/88/935056388.db2.gz LNSQXXBTDINUBG-YIYPIFLZSA-N 1 0 275.392 3.406 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCS[C@@H]2C)cc1Cl ZINC001327892197 935095847 /nfs/dbraw/zinc/09/58/47/935095847.db2.gz OVYPVLQEIZXBDR-BXKDBHETSA-N 1 0 271.813 3.338 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCS[C@H]2C)cc1Cl ZINC001327892202 935095865 /nfs/dbraw/zinc/09/58/65/935095865.db2.gz OVYPVLQEIZXBDR-JOYOIKCWSA-N 1 0 271.813 3.338 20 10 CGCDRO CN(C)c1cc(F)c(C[NH2+][C@H]2CCC[C@@H](F)C2)cc1F ZINC001329157875 935190912 /nfs/dbraw/zinc/19/09/12/935190912.db2.gz APROPDAPCCZSFE-NEPJUHHUSA-N 1 0 286.341 3.401 20 10 CGCDRO C[C@@H]([NH2+]Cc1c[nH]nc1C(C)(C)C)c1ccccc1O ZINC001330652267 935308743 /nfs/dbraw/zinc/30/87/43/935308743.db2.gz NUQLMRBLCJHCBZ-LLVKDONJSA-N 1 0 273.380 3.264 20 10 CGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC001330716987 935316482 /nfs/dbraw/zinc/31/64/82/935316482.db2.gz YUSLHMVYYQHWKT-JQWIXIFHSA-N 1 0 298.390 3.034 20 10 CGCDRO CCCC(C)(C)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC001333671098 935559167 /nfs/dbraw/zinc/55/91/67/935559167.db2.gz OIKNPYVXCNLTRU-UHFFFAOYSA-N 1 0 267.369 3.078 20 10 CGCDRO c1cc(N2CCCC2)ccc1C[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC001333683109 935561681 /nfs/dbraw/zinc/56/16/81/935561681.db2.gz QQGWBJLQRSSKMU-IYBDPMFKSA-N 1 0 288.460 3.082 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCCC(F)F)c(Cl)c1 ZINC001333734430 936060164 /nfs/dbraw/zinc/06/01/64/936060164.db2.gz RRULHRGBXGHBDM-UHFFFAOYSA-N 1 0 263.715 3.489 20 10 CGCDRO Nc1ccc(C[N@@H+]2CCC[C@H](Cc3nccs3)C2)cc1 ZINC001336118906 936176539 /nfs/dbraw/zinc/17/65/39/936176539.db2.gz MEMBZFAIMLSJQE-CQSZACIVSA-N 1 0 287.432 3.180 20 10 CGCDRO CCS[C@H]1CCCC[N@H+](Cc2ccc(N)cc2)C1 ZINC001336118297 936176640 /nfs/dbraw/zinc/17/66/40/936176640.db2.gz XCVXHEBWIOLCKF-HNNXBMFYSA-N 1 0 264.438 3.376 20 10 CGCDRO CC1(C)Nc2ccccc2[C@H]1[NH2+]Cc1ccc(N)cc1 ZINC001336285862 936186175 /nfs/dbraw/zinc/18/61/75/936186175.db2.gz NDJADHBCODTHKK-MRXNPFEDSA-N 1 0 267.376 3.304 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](c3nccs3)C2)cc1C ZINC001337169345 936241257 /nfs/dbraw/zinc/24/12/57/936241257.db2.gz MFEBHWLUQHGAQT-CYBMUJFWSA-N 1 0 288.416 3.455 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@@H]2C[C@H](O)C2(C)C)cc1C ZINC001474119635 937840931 /nfs/dbraw/zinc/84/09/31/937840931.db2.gz KSRNSAWGUSAQBC-CVEARBPZSA-N 1 0 277.408 3.033 20 10 CGCDRO CC[C@H](C)[C@@H](C[NH2+]Cc1ccc(N(C)C)cc1C)OC ZINC001474535816 937865538 /nfs/dbraw/zinc/86/55/38/937865538.db2.gz LARRVPRZETYYFA-SUMWQHHRSA-N 1 0 278.440 3.212 20 10 CGCDRO COc1cc(C)c(C[NH2+]C[C@H]2CCC(C)(C)CO2)c(O)c1 ZINC001474685278 937875232 /nfs/dbraw/zinc/87/52/32/937875232.db2.gz ORAYJPRKGFHOBK-CYBMUJFWSA-N 1 0 293.407 3.004 20 10 CGCDRO c1cc2c(cc1C[NH2+]CCCOC1CCCC1)CCCO2 ZINC001560299811 938251853 /nfs/dbraw/zinc/25/18/53/938251853.db2.gz UPKVKHZOVVPHIQ-UHFFFAOYSA-N 1 0 289.419 3.451 20 10 CGCDRO COC[C@H](C[NH2+]Cc1c(C)c2ccccc2n1C)C(C)C ZINC001560600674 938264932 /nfs/dbraw/zinc/26/49/32/938264932.db2.gz WQHOUHMEEHZKAH-HNNXBMFYSA-N 1 0 288.435 3.495 20 10 CGCDRO C[C@H](CC[NH2+]Cc1cccc(Cl)c1[O-])[NH+]1CCCCC1 ZINC001560752102 938273957 /nfs/dbraw/zinc/27/39/57/938273957.db2.gz ZGIMMRPXHXZUPT-CYBMUJFWSA-N 1 0 296.842 3.400 20 10 CGCDRO COc1cc(C)c(C[NH2+]C2CC3(CCC3)C2)c(O)c1 ZINC001560913302 938283728 /nfs/dbraw/zinc/28/37/28/938283728.db2.gz UFVJSXPUDCTWMN-UHFFFAOYSA-N 1 0 261.365 3.132 20 10 CGCDRO CC(C)c1ccc(O)c(C[N@@H+]2C[C@@H](O)CC(C)(C)C2)c1 ZINC001560970144 938287021 /nfs/dbraw/zinc/28/70/21/938287021.db2.gz LPVWKAWPEFAQIF-HNNXBMFYSA-N 1 0 277.408 3.108 20 10 CGCDRO CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001561039738 938291303 /nfs/dbraw/zinc/29/13/03/938291303.db2.gz ABQXUCCYNBONLU-JLSDUUJJSA-N 1 0 289.467 3.134 20 10 CGCDRO CCC[C@@H](CCO)[NH2+]Cc1ccc(N(CC)CC)c(F)c1 ZINC001179358993 957884605 /nfs/dbraw/zinc/88/46/05/957884605.db2.gz NBJAZIQFBNGICU-HNNXBMFYSA-N 1 0 296.430 3.313 20 10 CGCDRO Nc1ccc(C[NH2+]Cc2c[nH]nc2-c2ccsc2)cc1 ZINC001580447405 962726005 /nfs/dbraw/zinc/72/60/05/962726005.db2.gz ZPGCPUMGXRQWQZ-UHFFFAOYSA-N 1 0 284.388 3.010 20 10 CGCDRO c1ccc2c(c1)NC[C@H]2CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC001580896590 962739873 /nfs/dbraw/zinc/73/98/73/962739873.db2.gz JMPKPILTANBNLW-MRXNPFEDSA-N 1 0 294.398 3.311 20 10 CGCDRO Cc1noc(C)c1[C@H](C)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296819361 282392285 /nfs/dbraw/zinc/39/22/85/282392285.db2.gz MDJNMOXTRRFCMC-QMTHXVAHSA-N 1 0 286.375 3.378 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)cc1C ZINC000092072195 345830072 /nfs/dbraw/zinc/83/00/72/345830072.db2.gz FVRFEIYKSVTMED-AWEZNQCLSA-N 1 0 285.391 3.112 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CCC3(CCCC3)C2)cc1OC ZINC000160314170 346170866 /nfs/dbraw/zinc/17/08/66/346170866.db2.gz ACUJTZQFLFLAFI-UHFFFAOYSA-N 1 0 291.391 3.176 20 10 CGCDRO Cc1nccn1CCC[N@@H+](C)Cc1cc(C)c(C)cc1O ZINC000162831868 346180165 /nfs/dbraw/zinc/18/01/65/346180165.db2.gz IRNBCGXFTBVRMS-UHFFFAOYSA-N 1 0 287.407 3.036 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)OCCO2)c1ccccc1O ZINC000020120815 368803560 /nfs/dbraw/zinc/80/35/60/368803560.db2.gz SLOSRCPYLBYPCJ-LBPRGKRZSA-N 1 0 285.343 3.014 20 10 CGCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]C1CCC(O)CC1 ZINC000069618118 369765350 /nfs/dbraw/zinc/76/53/50/369765350.db2.gz STUKUKASCQMFCK-UHFFFAOYSA-N 1 0 297.398 3.452 20 10 CGCDRO Cn1c(CCC[NH2+]Cc2ccccc2O)nc2ccccc21 ZINC000076262604 369935524 /nfs/dbraw/zinc/93/55/24/369935524.db2.gz AQWSABIFQXYTMX-UHFFFAOYSA-N 1 0 295.386 3.001 20 10 CGCDRO CO[C@@](C)(C[NH2+][C@@H](C)c1ccc(N(C)C)cc1)C1CC1 ZINC000291388767 372167612 /nfs/dbraw/zinc/16/76/12/372167612.db2.gz ZVSVYUPKOHTNCV-GUYCJALGSA-N 1 0 276.424 3.218 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCOC(C)(C)C2)c1 ZINC000159930174 372194490 /nfs/dbraw/zinc/19/44/90/372194490.db2.gz VEUSKLDDCOCBPD-VXGBXAGGSA-N 1 0 279.380 3.009 20 10 CGCDRO COCC1(CC[NH2+][C@@H](C)c2cc(F)ccc2O)CCC1 ZINC000293858048 372505029 /nfs/dbraw/zinc/50/50/29/372505029.db2.gz YUIADQXJSXFZAA-LBPRGKRZSA-N 1 0 281.371 3.389 20 10 CGCDRO CC[C@H](C)[C@H](C[NH2+][C@H](C)c1cc(F)ccc1O)OC ZINC000294225657 372619362 /nfs/dbraw/zinc/61/93/62/372619362.db2.gz NXCRWKUGESVMIS-RWSFTLGLSA-N 1 0 269.360 3.243 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H](CO)c2ccccc2)c(O)c1 ZINC000294700953 372668507 /nfs/dbraw/zinc/66/85/07/372668507.db2.gz JANMBMYRSXXIOD-DOTOQJQBSA-N 1 0 299.414 3.436 20 10 CGCDRO Cc1cccc(C[NH2+]Cc2ccc(N(C)C)cc2)c1F ZINC000294785000 372671580 /nfs/dbraw/zinc/67/15/80/372671580.db2.gz OAIIGJGGEJENJY-UHFFFAOYSA-N 1 0 272.367 3.490 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](C)c1cnn(CC)c1)c1ccccc1O ZINC000294952802 372681519 /nfs/dbraw/zinc/68/15/19/372681519.db2.gz WAHYNSSYZIUTQQ-SWLSCSKDSA-N 1 0 273.380 3.411 20 10 CGCDRO C[C@@H](CO)[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000294955967 372681675 /nfs/dbraw/zinc/68/16/75/372681675.db2.gz YTWGQFOHZBHDCQ-WMLDXEAASA-N 1 0 285.387 3.037 20 10 CGCDRO Cc1ccc([C@H](O)C[NH2+][C@@H]2CCc3cccc(O)c32)cc1 ZINC000295809584 372919668 /nfs/dbraw/zinc/91/96/68/372919668.db2.gz CSVVOILLHWXKPG-NVXWUHKLSA-N 1 0 283.371 3.011 20 10 CGCDRO Cc1cccnc1CC[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000295861490 372937974 /nfs/dbraw/zinc/93/79/74/372937974.db2.gz BNPBPNGTRDTQSV-GFCCVEGCSA-N 1 0 274.339 3.128 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]Cc1ccc(Cl)nc1)CC2 ZINC000296019831 372994649 /nfs/dbraw/zinc/99/46/49/372994649.db2.gz PIUCLKVPDYHLKR-LBPRGKRZSA-N 1 0 274.751 3.218 20 10 CGCDRO COc1cccc(C[NH2+][C@@H]2CCc3cccc(O)c32)c1 ZINC000296101466 373022925 /nfs/dbraw/zinc/02/29/25/373022925.db2.gz UKQALMDNXPAGHI-OAHLLOKOSA-N 1 0 269.344 3.178 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000296210340 373052830 /nfs/dbraw/zinc/05/28/30/373052830.db2.gz ZROFISOEPZOSNM-LBPRGKRZSA-N 1 0 286.331 3.460 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)c1ccc(C)c(C)c1O)[C@@H](O)C(F)F ZINC000296493784 373153472 /nfs/dbraw/zinc/15/34/72/373153472.db2.gz OSTPPLCGUGGWNK-SCDSUCTJSA-N 1 0 287.350 3.064 20 10 CGCDRO CCn1ccnc1C[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000296632043 373201371 /nfs/dbraw/zinc/20/13/71/373201371.db2.gz XLGAEKHOIVSULR-CYBMUJFWSA-N 1 0 273.380 3.076 20 10 CGCDRO COCCC1(C[NH2+][C@@H]2CCc3cccc(O)c32)CCC1 ZINC000296822814 373250112 /nfs/dbraw/zinc/25/01/12/373250112.db2.gz MEKOAEIRFFSGEH-CQSZACIVSA-N 1 0 275.392 3.176 20 10 CGCDRO C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296933116 373252941 /nfs/dbraw/zinc/25/29/41/373252941.db2.gz QBOHLDUJZGKGTP-SKDZVZGDSA-N 1 0 297.398 3.481 20 10 CGCDRO C[C@H](CCO)CC[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000297338799 373265293 /nfs/dbraw/zinc/26/52/93/373265293.db2.gz OINWYPUSZQNBSI-QWRGUYRKSA-N 1 0 271.788 3.105 20 10 CGCDRO Cc1ccn2cc(C[NH2+][C@@H]3CCc4cccc(O)c43)nc2c1 ZINC000297803815 373281912 /nfs/dbraw/zinc/28/19/12/373281912.db2.gz QNTBABBILYYOBK-OAHLLOKOSA-N 1 0 293.370 3.125 20 10 CGCDRO C[C@@H]([NH2+]CCOc1cccc(F)c1)c1ccccc1O ZINC000179883373 373934989 /nfs/dbraw/zinc/93/49/89/373934989.db2.gz MBKLTDMKLODJIP-GFCCVEGCSA-N 1 0 275.323 3.261 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)Cc2cccc3nccn32)cc1 ZINC000183376132 374408648 /nfs/dbraw/zinc/40/86/48/374408648.db2.gz KMWOZGBKDQGMTI-UHFFFAOYSA-N 1 0 294.402 3.032 20 10 CGCDRO CCCC[C@@H](COC)[NH2+][C@H](C)c1ccccc1O ZINC000183520895 374422645 /nfs/dbraw/zinc/42/26/45/374422645.db2.gz DRBVWIWGACHQMV-OLZOCXBDSA-N 1 0 251.370 3.248 20 10 CGCDRO C[C@H]([NH2+]C[C@@](C)(O)c1cccs1)c1ccccc1O ZINC000183524379 374424148 /nfs/dbraw/zinc/42/41/48/374424148.db2.gz DBBBKHXHJZEVHS-XHDPSFHLSA-N 1 0 277.389 3.012 20 10 CGCDRO C[C@H]([NH2+]CCc1ccccc1O)c1cc(F)ccc1O ZINC000185303352 374632045 /nfs/dbraw/zinc/63/20/45/374632045.db2.gz HBDWUBNUCNRNOO-NSHDSACASA-N 1 0 275.323 3.130 20 10 CGCDRO CCOC1CC(CC[NH2+][C@@H](C)c2ccccc2O)C1 ZINC000189259023 375351066 /nfs/dbraw/zinc/35/10/66/375351066.db2.gz AKXLAJTYVURMAK-HSBZDZAISA-N 1 0 263.381 3.248 20 10 CGCDRO CCSc1cc(C[NH2+]Cc2cc(F)ccc2O)ccn1 ZINC000190199149 375485137 /nfs/dbraw/zinc/48/51/37/375485137.db2.gz MMTKZAOIRVKIHA-UHFFFAOYSA-N 1 0 292.379 3.328 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1cccc(Cl)c1[O-] ZINC000530219362 375939733 /nfs/dbraw/zinc/93/97/33/375939733.db2.gz ZYFBWFURYPPPSZ-KBPBESRZSA-N 1 0 294.826 3.371 20 10 CGCDRO CS[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(C)c2O)C1 ZINC000224818525 376288252 /nfs/dbraw/zinc/28/82/52/376288252.db2.gz NRNOVQWAOLERID-ZIAGYGMSSA-N 1 0 265.422 3.464 20 10 CGCDRO CCC1(C[NH2+]Cc2cc(C)c(C)cc2O)CCOCC1 ZINC000266648116 378024439 /nfs/dbraw/zinc/02/44/39/378024439.db2.gz WWGWKEGKNUEREF-UHFFFAOYSA-N 1 0 277.408 3.305 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2CCOC3(CCC3)C2)cc1C ZINC000268999131 378170402 /nfs/dbraw/zinc/17/04/02/378170402.db2.gz YWUJNTWECDTCFC-HNNXBMFYSA-N 1 0 275.392 3.195 20 10 CGCDRO COc1cccc(C[NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)c1O ZINC000270624012 378378115 /nfs/dbraw/zinc/37/81/15/378378115.db2.gz GEBBXHHYPGHTHK-HIFRSBDPSA-N 1 0 293.407 3.084 20 10 CGCDRO CCOc1cccc(C[N@H+](C)Cc2cccs2)c1O ZINC000271006564 378426776 /nfs/dbraw/zinc/42/67/76/378426776.db2.gz NRZNLIFDJNAKHD-UHFFFAOYSA-N 1 0 277.389 3.484 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCCC3(CCOCC3)C2)c1 ZINC000271208553 378483348 /nfs/dbraw/zinc/48/33/48/378483348.db2.gz XLAYJAWELSMYQO-UHFFFAOYSA-N 1 0 275.392 3.093 20 10 CGCDRO C[C@@H]1C[C@H](CC[NH2+]Cc2ccc(N(C)C)cc2)CCO1 ZINC000273086466 378736388 /nfs/dbraw/zinc/73/63/88/378736388.db2.gz RQWVYQRUVNUGRQ-HUUCEWRRSA-N 1 0 276.424 3.047 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)COCC(F)(F)F)c1 ZINC000273466235 378747672 /nfs/dbraw/zinc/74/76/72/378747672.db2.gz DWGWHYAKMWWWGS-QWRGUYRKSA-N 1 0 291.313 3.319 20 10 CGCDRO Cc1nn(C)cc1[C@H](C)[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000273466063 378748023 /nfs/dbraw/zinc/74/80/23/378748023.db2.gz DSSQCUGBZWVIRI-STQMWFEESA-N 1 0 287.407 3.463 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCOC3(CCC3)C2)c1 ZINC000273463356 378748141 /nfs/dbraw/zinc/74/81/41/378748141.db2.gz INPZDFKNFUMJPX-OLZOCXBDSA-N 1 0 291.391 3.153 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)[C@@H]2CCCCO2)c1 ZINC000273508854 378749597 /nfs/dbraw/zinc/74/95/97/378749597.db2.gz RLOFLLDEQAATGU-OZVIIMIRSA-N 1 0 279.380 3.009 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCO[C@@H](C)C2)c(O)c1C ZINC000273505269 378750493 /nfs/dbraw/zinc/75/04/93/378750493.db2.gz QYDHENJTLAJIFJ-AEGPPILISA-N 1 0 277.408 3.475 20 10 CGCDRO CCC[C@@](C)(O)C[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000273561321 378752361 /nfs/dbraw/zinc/75/23/61/378752361.db2.gz IDCQNGXMTDBBEV-QMTHXVAHSA-N 1 0 271.788 3.247 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](CO)c2ccccc2)c(O)c1C ZINC000273587896 378754096 /nfs/dbraw/zinc/75/40/96/378754096.db2.gz OHIHEGUITUSGQC-YOEHRIQHSA-N 1 0 285.387 3.393 20 10 CGCDRO C[C@H]([NH2+]CC1(CCO)CCCC1)c1cc(F)ccc1O ZINC000273590436 378754451 /nfs/dbraw/zinc/75/44/51/378754451.db2.gz OZNQDGMZDMMISN-LBPRGKRZSA-N 1 0 281.371 3.125 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCCC(C)(C)CO)c(O)c1C ZINC000273580606 378754875 /nfs/dbraw/zinc/75/48/75/378754875.db2.gz MPPLZXXPLVRDFX-CQSZACIVSA-N 1 0 279.424 3.458 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H](CCO)c2ccccc2)c(O)c1 ZINC000273611396 378755842 /nfs/dbraw/zinc/75/58/42/378755842.db2.gz VXQLNSFBMXQTNC-RHSMWYFYSA-N 1 0 285.387 3.475 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCC[C@@H](OCC3CC3)C2)c1O ZINC000373536276 379295151 /nfs/dbraw/zinc/29/51/51/379295151.db2.gz VJCBBLOLTIBEFQ-MRXNPFEDSA-N 1 0 275.392 3.092 20 10 CGCDRO CC[C@H]([NH2+][C@H](CO)CC1CCC1)c1ccc(C)cc1O ZINC000281201510 379822229 /nfs/dbraw/zinc/82/22/29/379822229.db2.gz SCDXEDSXMOGTKQ-HOCLYGCPSA-N 1 0 277.408 3.292 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CSC2(C)C)c(O)c1 ZINC000283388693 380060060 /nfs/dbraw/zinc/06/00/60/380060060.db2.gz PJBGLZCHSIFSLD-ZWNOBZJWSA-N 1 0 251.395 3.245 20 10 CGCDRO Cc1nccn1CCC[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000285173620 380144788 /nfs/dbraw/zinc/14/47/88/380144788.db2.gz NBDNSDSSQBCNNI-AWEZNQCLSA-N 1 0 287.407 3.255 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(C)CC2)cc1)c1cn[nH]c1 ZINC000283897665 380102818 /nfs/dbraw/zinc/10/28/18/380102818.db2.gz CVKKDNXYSAPLQR-HNNXBMFYSA-N 1 0 298.434 3.497 20 10 CGCDRO CCC[C@H](CCO)C[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000284148972 380130468 /nfs/dbraw/zinc/13/04/68/380130468.db2.gz PDYFJKHOFFVNHG-HUUCEWRRSA-N 1 0 279.424 3.458 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000291504596 285398628 /nfs/dbraw/zinc/39/86/28/285398628.db2.gz HQZVCTKSJLKSOQ-QGZVFWFLSA-N 1 0 294.398 3.029 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+](C)[C@H](CCO)c2ccccc2)c1 ZINC000093442720 392238065 /nfs/dbraw/zinc/23/80/65/392238065.db2.gz DSTLGCBSYVIXCF-QGZVFWFLSA-N 1 0 285.387 3.256 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)[C@@H]1CCOC1)c1ccc(N(C)C)cc1 ZINC000119668626 392396774 /nfs/dbraw/zinc/39/67/74/392396774.db2.gz JUVUEPPZXGBWJV-LXZKKBNFSA-N 1 0 276.424 3.218 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCC3(C2)Oc2ccccc2O3)c1O ZINC000289225429 392417526 /nfs/dbraw/zinc/41/75/26/392417526.db2.gz AJCIZOQFJAVNEU-UHFFFAOYSA-N 1 0 297.354 3.074 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](C3CC3)C2)c1 ZINC000378347515 392896070 /nfs/dbraw/zinc/89/60/70/392896070.db2.gz JHZCRRNKBKJSTB-ZDUSSCGKSA-N 1 0 261.365 3.023 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2c2ccncc2)cc1 ZINC000193454503 392877756 /nfs/dbraw/zinc/87/77/56/392877756.db2.gz QISKVPSJTVDPTM-GOSISDBHSA-N 1 0 281.403 3.485 20 10 CGCDRO c1cc(N2CCCCC2)ccc1C[NH2+]CCOCC1CC1 ZINC000224533665 393010943 /nfs/dbraw/zinc/01/09/43/393010943.db2.gz NRRXDGHNLRWHJO-UHFFFAOYSA-N 1 0 288.435 3.193 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)CN2CCCCC2)c1 ZINC000037154415 292165961 /nfs/dbraw/zinc/16/59/61/292165961.db2.gz VZJZQLGSLHLNDP-CABCVRRESA-N 1 0 276.424 3.226 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)[C@H](O)c1ccccc1 ZINC000290406351 287050660 /nfs/dbraw/zinc/05/06/60/287050660.db2.gz TYMWOEJCJNAPKH-JKDFXYPNSA-N 1 0 289.350 3.304 20 10 CGCDRO COc1cccc(C[NH2+][C@H]2CCCc3occc32)c1O ZINC000020204338 171069155 /nfs/dbraw/zinc/06/91/55/171069155.db2.gz KTTMDOFECMOAIR-ZDUSSCGKSA-N 1 0 273.332 3.161 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](C(C)C)N2CCCC2)c1 ZINC000035628949 172307832 /nfs/dbraw/zinc/30/78/32/172307832.db2.gz UQBINMRJQUBRSZ-NVXWUHKLSA-N 1 0 290.451 3.472 20 10 CGCDRO CC[C@@H]([NH2+]CCc1csc(C)n1)c1ccccc1O ZINC000223814754 260370752 /nfs/dbraw/zinc/37/07/52/260370752.db2.gz HKGQRGUCQAEMBL-CQSZACIVSA-N 1 0 276.405 3.441 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)C[C@@H]2CCCOC2)cc1 ZINC000151899408 261056731 /nfs/dbraw/zinc/05/67/31/261056731.db2.gz UYVMSJHOYZZFAC-KRWDZBQOSA-N 1 0 290.451 3.391 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cccc(N(C)C)n1)c1ccccc1O ZINC000156928874 261135579 /nfs/dbraw/zinc/13/55/79/261135579.db2.gz IFNMBCICDTZZHS-OAHLLOKOSA-N 1 0 285.391 3.094 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCO[C@H](C3CC3)C2)c1 ZINC000157650376 261149953 /nfs/dbraw/zinc/14/99/53/261149953.db2.gz FTMGZAVWFCJSOX-IFIJOSMWSA-N 1 0 275.392 3.309 20 10 CGCDRO CC(C)[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000159011503 261176008 /nfs/dbraw/zinc/17/60/08/261176008.db2.gz VAFVBVUIIQIUFO-CABCVRRESA-N 1 0 276.424 3.218 20 10 CGCDRO CC(C)[C@@H](O)C(C)(C)C[NH2+][C@@H](C)c1ccccc1O ZINC000183629029 261983633 /nfs/dbraw/zinc/98/36/33/261983633.db2.gz SOUKPQGWINECTE-SWLSCSKDSA-N 1 0 265.397 3.086 20 10 CGCDRO CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(Cl)ccc2O)C1 ZINC000185059686 262039411 /nfs/dbraw/zinc/03/94/11/262039411.db2.gz LPNWHRSWTWJGJD-NWDGAFQWSA-N 1 0 282.815 3.038 20 10 CGCDRO COc1cccc(C[NH2+][C@@H]2CCCO[C@H]2CC(C)C)c1O ZINC000185191769 262045084 /nfs/dbraw/zinc/04/50/84/262045084.db2.gz CHSVTIFKIMKNTA-ZBFHGGJFSA-N 1 0 293.407 3.084 20 10 CGCDRO COCCC1(C[NH2+]Cc2ccccc2O)CCCCC1 ZINC000185227127 262047227 /nfs/dbraw/zinc/04/72/27/262047227.db2.gz NHBUMMVNHDUFBT-UHFFFAOYSA-N 1 0 277.408 3.469 20 10 CGCDRO CCc1nc(CC[NH2+][C@@H](C)c2cc(F)ccc2O)cs1 ZINC000185311033 262050247 /nfs/dbraw/zinc/05/02/47/262050247.db2.gz POSNDPUEVXWAKL-JTQLQIEISA-N 1 0 294.395 3.444 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@](C)(O)c2cccs2)c1 ZINC000185518615 262057759 /nfs/dbraw/zinc/05/77/59/262057759.db2.gz VREFKYCOQLJKGR-BLLLJJGKSA-N 1 0 291.416 3.320 20 10 CGCDRO C[C@@H]([NH2+]C[C@H](O)c1ccsc1)c1cc(Cl)ccc1O ZINC000185512756 262058208 /nfs/dbraw/zinc/05/82/08/262058208.db2.gz IDMIATRUMMIRGS-OTYXRUKQSA-N 1 0 297.807 3.491 20 10 CGCDRO Cc1cccc([C@@H](O)C[NH2+][C@@H](C)c2cc(F)ccc2O)c1 ZINC000186125152 262081268 /nfs/dbraw/zinc/08/12/68/262081268.db2.gz PFWBBDCVSBGMOX-SJCJKPOMSA-N 1 0 289.350 3.224 20 10 CGCDRO CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000186174934 262082954 /nfs/dbraw/zinc/08/29/54/262082954.db2.gz CZIJLTMOEBMDTO-NHYWBVRUSA-N 1 0 283.387 3.225 20 10 CGCDRO CC[C@@H]([NH2+]CCCc1ccccn1)c1ccccc1O ZINC000186291621 262088180 /nfs/dbraw/zinc/08/81/80/262088180.db2.gz JUUHKKIUVUKCKR-MRXNPFEDSA-N 1 0 270.376 3.461 20 10 CGCDRO CC(C)OCC[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000186634535 262103201 /nfs/dbraw/zinc/10/32/01/262103201.db2.gz HJQXLNBNZBADPF-SNVBAGLBSA-N 1 0 257.761 3.121 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)CC(C)(C)C)c(O)c1 ZINC000185482375 262304546 /nfs/dbraw/zinc/30/45/46/262304546.db2.gz RXLZYTHEAKQNQC-QWHCGFSZSA-N 1 0 265.397 3.148 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)CC(C)(C)C)c1 ZINC000185481853 262304577 /nfs/dbraw/zinc/30/45/77/262304577.db2.gz OFBUSVMBEQKQHQ-OLZOCXBDSA-N 1 0 265.397 3.148 20 10 CGCDRO C[C@H](C[NH2+][C@H](C)c1ccc(F)cc1[O-])c1nccs1 ZINC000186727455 262322300 /nfs/dbraw/zinc/32/23/00/262322300.db2.gz QOKTWETXUHNHHE-NXEZZACHSA-N 1 0 280.368 3.442 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CC[C@H]2CCO[C@H](C)C2)cc1C ZINC000273042664 263011472 /nfs/dbraw/zinc/01/14/72/263011472.db2.gz IWEIQZXWEIHLFV-CABCVRRESA-N 1 0 277.408 3.304 20 10 CGCDRO COCCC1(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000293740010 263148545 /nfs/dbraw/zinc/14/85/45/263148545.db2.gz XDIPPWNROPJCSZ-UHFFFAOYSA-N 1 0 287.762 3.091 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+][C@@H]1CCOC3(CCCC3)C1)CC2 ZINC000296957162 263198813 /nfs/dbraw/zinc/19/88/13/263198813.db2.gz RAFUASSPCDIFMQ-HUUCEWRRSA-N 1 0 287.403 3.461 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cnc2n1CCCC2)c1ccc(C)cc1O ZINC000367435621 267089473 /nfs/dbraw/zinc/08/94/73/267089473.db2.gz CICHCGSPXVGHID-MRXNPFEDSA-N 1 0 299.418 3.474 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2C[C@]2(C)OC(C)C)c1O ZINC000529670623 270187462 /nfs/dbraw/zinc/18/74/62/270187462.db2.gz VWHVPQLIGSAKAO-HIFRSBDPSA-N 1 0 299.798 3.100 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2CCCN2CC)cc1 ZINC000022935918 276120785 /nfs/dbraw/zinc/12/07/85/276120785.db2.gz GYVRINJUSAZLKL-SFHVURJKSA-N 1 0 289.467 3.107 20 10 CGCDRO COCC[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1ccco1 ZINC000296427164 277240093 /nfs/dbraw/zinc/24/00/93/277240093.db2.gz LTTWCQHFGYLQCP-UONOGXRCSA-N 1 0 287.359 3.340 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)CC[NH+](C)C)c1cccc(Cl)c1[O-] ZINC000287617021 288058823 /nfs/dbraw/zinc/05/88/23/288058823.db2.gz JQOCWWBOVUARAG-FZMZJTMJSA-N 1 0 284.831 3.427 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC2(OC)CCCC2)c1 ZINC000295973832 295168444 /nfs/dbraw/zinc/16/84/44/295168444.db2.gz IXLLPDQEPMMPQN-LBPRGKRZSA-N 1 0 279.380 3.011 20 10 CGCDRO CO[C@@H](C)[C@@H](C)[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000290047171 328257635 /nfs/dbraw/zinc/25/76/35/328257635.db2.gz DWTGPLRIPKOTSY-UPJWGTAASA-N 1 0 277.408 3.345 20 10 CGCDRO CS[C@H]1CC[C@@H]1[NH2+]Cc1c(C)c2ccccc2n1C ZINC000425338403 328468272 /nfs/dbraw/zinc/46/82/72/328468272.db2.gz PGIYKIPRZQHPMX-BBRMVZONSA-N 1 0 274.433 3.470 20 10 CGCDRO CCOc1cccc(C[N@H+](C)Cc2ccccc2O)c1 ZINC000091956429 327188041 /nfs/dbraw/zinc/18/80/41/327188041.db2.gz KNQXUEXWRQDGQP-UHFFFAOYSA-N 1 0 271.360 3.423 20 10 CGCDRO CC[C@H](C)[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000152172550 327250756 /nfs/dbraw/zinc/25/07/56/327250756.db2.gz ALSAAAYANCXTEP-ZDUSSCGKSA-N 1 0 262.397 3.052 20 10 CGCDRO CCCO[C@H]1CCC[N@H+](Cc2ccccc2O)CC1 ZINC000179573293 329209753 /nfs/dbraw/zinc/20/97/53/329209753.db2.gz AJDDYCPTWPINJL-HNNXBMFYSA-N 1 0 263.381 3.173 20 10 CGCDRO CS[C@H]1CCC[C@@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000226608970 329262066 /nfs/dbraw/zinc/26/20/66/329262066.db2.gz MPFVKXQFCKPBMF-OLZOCXBDSA-N 1 0 269.385 3.295 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccnc2C)c(O)c1 ZINC000527989104 330298998 /nfs/dbraw/zinc/29/89/98/330298998.db2.gz WQFBDLMQUYLVQI-CYBMUJFWSA-N 1 0 256.349 3.255 20 10 CGCDRO CC(C)[C@H]1C[C@H]([NH2+]Cc2ccccc2O)CS1 ZINC000277293813 519827832 /nfs/dbraw/zinc/82/78/32/519827832.db2.gz RKGPWENPXMHZKX-GXTWGEPZSA-N 1 0 251.395 3.012 20 10 CGCDRO CC(C)[C@H]1C[C@H]([NH2+]Cc2c(O)cccc2Cl)CCO1 ZINC000271492092 519827881 /nfs/dbraw/zinc/82/78/81/519827881.db2.gz JMOOGMPQYITYCX-IAQYHMDHSA-N 1 0 283.799 3.339 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCCn2cccn2)cc1 ZINC000127009632 520286224 /nfs/dbraw/zinc/28/62/24/520286224.db2.gz VLTVBEFIVATPAH-HNNXBMFYSA-N 1 0 286.423 3.080 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2snnc2C)cc1 ZINC000293246184 520287705 /nfs/dbraw/zinc/28/77/05/520287705.db2.gz BKRHTDNEURDELH-LLVKDONJSA-N 1 0 290.436 3.153 20 10 CGCDRO CCCOc1ccc(C[NH+]2CC(C)(CCOC)C2)c(O)c1 ZINC000297430538 520348589 /nfs/dbraw/zinc/34/85/89/520348589.db2.gz OKGGBNNYTONRAJ-UHFFFAOYSA-N 1 0 293.407 3.039 20 10 CGCDRO CC1(C)CC[N@H+](Cc2ccccc2O)CCS1 ZINC000279417239 520381051 /nfs/dbraw/zinc/38/10/51/520381051.db2.gz MYPOQANVQKSELW-UHFFFAOYSA-N 1 0 251.395 3.110 20 10 CGCDRO CCCCN(C)C[C@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000289995355 520418134 /nfs/dbraw/zinc/41/81/34/520418134.db2.gz YRKBVLQKPZQIHI-KBPBESRZSA-N 1 0 264.413 3.163 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)CCCCCO)cc1 ZINC000263708423 520890792 /nfs/dbraw/zinc/89/07/92/520890792.db2.gz CZZLWWVJRVYODX-UHFFFAOYSA-N 1 0 278.440 3.127 20 10 CGCDRO CCOc1cccc(C[NH2+]Cc2cccc(F)c2)c1O ZINC000020473416 521368662 /nfs/dbraw/zinc/36/86/62/521368662.db2.gz IWMRNJFDSKCFGH-UHFFFAOYSA-N 1 0 275.323 3.220 20 10 CGCDRO CC[N@H+](Cc1ccccc1O)[C@H]1CCOC(C)(C)C1 ZINC000291690193 521387015 /nfs/dbraw/zinc/38/70/15/521387015.db2.gz YADTXSVGEISCJD-AWEZNQCLSA-N 1 0 263.381 3.172 20 10 CGCDRO CCC(O)(CC)CC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000276642863 521652830 /nfs/dbraw/zinc/65/28/30/521652830.db2.gz KXPVPMUQFZSRCR-AWEZNQCLSA-N 1 0 278.440 3.344 20 10 CGCDRO CCC[N@H+](CCc1ccccn1)Cc1cc(F)ccc1O ZINC000289793667 521673122 /nfs/dbraw/zinc/67/31/22/521673122.db2.gz MEZNBDADEKHMKN-UHFFFAOYSA-N 1 0 288.366 3.381 20 10 CGCDRO CCCN(Cc1cccc(O)c1)c1ccc(C[NH3+])cc1 ZINC000094692255 521685311 /nfs/dbraw/zinc/68/53/11/521685311.db2.gz ZFBPPPKWOUKSMS-UHFFFAOYSA-N 1 0 270.376 3.268 20 10 CGCDRO COc1cc(Cl)cc(C[N@H+](C(C)C)[C@H]2CCOC2)c1O ZINC000291278985 522535594 /nfs/dbraw/zinc/53/55/94/522535594.db2.gz OLUFUOUCOKMITA-ZDUSSCGKSA-N 1 0 299.798 3.054 20 10 CGCDRO CC[C@H]([NH2+]CC[S@](=O)C(C)(C)C)c1ccc(C)cc1O ZINC000280009102 522600947 /nfs/dbraw/zinc/60/09/47/522600947.db2.gz GNTBEFKIXVUYFE-XOBRGWDASA-N 1 0 297.464 3.289 20 10 CGCDRO CC[C@H]([NH2+]Cc1cc(C)no1)c1ccc(N(C)C)cc1 ZINC000125591453 522642348 /nfs/dbraw/zinc/64/23/48/522642348.db2.gz VJYSVRZJDPICTA-INIZCTEOSA-N 1 0 273.380 3.290 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCO[C@H](C)C1)c1ccc(C)cc1O ZINC000280095580 522755615 /nfs/dbraw/zinc/75/56/15/522755615.db2.gz MTNZBGDHINZPDK-IPYPFGDCSA-N 1 0 263.381 3.309 20 10 CGCDRO CC[C@@H]([NH2+]CC(O)(CC)CC)c1ccc(C)cc1O ZINC000280026877 522818874 /nfs/dbraw/zinc/81/88/74/522818874.db2.gz HVSTWSZFKRTAKF-CQSZACIVSA-N 1 0 265.397 3.292 20 10 CGCDRO CC[C@@H]([NH2+]CCc1nnc(C)s1)c1ccc(C)cc1O ZINC000289652430 522844567 /nfs/dbraw/zinc/84/45/67/522844567.db2.gz GHIKXSFBLXZGAE-CYBMUJFWSA-N 1 0 291.420 3.144 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cnc(C)s1)c1ccccc1O ZINC000040997460 522888495 /nfs/dbraw/zinc/88/84/95/522888495.db2.gz SVOJLPVNJGTSER-CYBMUJFWSA-N 1 0 262.378 3.398 20 10 CGCDRO CC[C@@H]([NH2+][C@H](C)[C@@H](C)OC)c1ccc(C)cc1O ZINC000290112067 522936897 /nfs/dbraw/zinc/93/68/97/522936897.db2.gz ISSCKJQBEZELRR-YRGRVCCFSA-N 1 0 251.370 3.165 20 10 CGCDRO CC[C@@H]([NH2+][C@H](CO)c1ccccc1)c1ccccc1O ZINC000062999197 522944805 /nfs/dbraw/zinc/94/48/05/522944805.db2.gz HHUXVHHVTSCTCT-HZPDHXFCSA-N 1 0 271.360 3.167 20 10 CGCDRO CC[C@@H]([NH2+][C@H]1CCN(c2ccccn2)C1)c1ccccc1O ZINC000156901856 522952532 /nfs/dbraw/zinc/95/25/32/522952532.db2.gz SKFZTVTVHAWATL-GOEBONIOSA-N 1 0 297.402 3.107 20 10 CGCDRO COc1ccc(C[NH2+]CC[C@@H]2CCO[C@H](C)C2)cc1C ZINC000273031185 524070945 /nfs/dbraw/zinc/07/09/45/524070945.db2.gz GGNKJVHQWVIGHS-HUUCEWRRSA-N 1 0 277.408 3.298 20 10 CGCDRO COc1ccc(C[NH2+]Cc2ccc(N(C)C)cc2)cc1C ZINC000035052731 524072958 /nfs/dbraw/zinc/07/29/58/524072958.db2.gz BAOIKRSKGYWMPP-UHFFFAOYSA-N 1 0 284.403 3.359 20 10 CGCDRO C[C@@H](CF)[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000290219639 524559996 /nfs/dbraw/zinc/55/99/96/524559996.db2.gz RNQPEDBLPGRNHO-ZDUSSCGKSA-N 1 0 289.350 3.419 20 10 CGCDRO Cc1cc(F)ccc1CC[NH2+]Cc1ccccc1O ZINC000094950225 524970179 /nfs/dbraw/zinc/97/01/79/524970179.db2.gz FOTBTIHKACHDDO-UHFFFAOYSA-N 1 0 259.324 3.172 20 10 CGCDRO C[C@H]1Oc2ccccc2[C@H]1[NH2+]Cc1ccccc1O ZINC000288466011 525071300 /nfs/dbraw/zinc/07/13/00/525071300.db2.gz FGHSVECDUYIUAC-BZNIZROVSA-N 1 0 255.317 3.004 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@H](O)CCc2ccccc2)cc1C ZINC000273081301 525323075 /nfs/dbraw/zinc/32/30/75/525323075.db2.gz IZMKJEDOYUGMKE-GOSISDBHSA-N 1 0 299.414 3.092 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)Cc2cccs2)c1 ZINC000071407529 525351547 /nfs/dbraw/zinc/35/15/47/525351547.db2.gz UEBFUAKEOVMSHY-LBPRGKRZSA-N 1 0 261.390 3.483 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1CCCCN1C1CC1)c1ccccc1O ZINC000278457231 525386539 /nfs/dbraw/zinc/38/65/39/525386539.db2.gz MFEBLSIAQODWTA-ZFWWWQNUSA-N 1 0 274.408 3.060 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1CCCCN1C1CC1)c1cc(F)ccc1O ZINC000278378150 525413326 /nfs/dbraw/zinc/41/33/26/525413326.db2.gz DZCISSBPYZKVHE-SWLSCSKDSA-N 1 0 292.398 3.199 20 10 CGCDRO C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1O)c1ccccn1 ZINC000094616836 525658648 /nfs/dbraw/zinc/65/86/48/525658648.db2.gz UDBXIVYFBPALEM-GHMZBOCLSA-N 1 0 260.312 3.338 20 10 CGCDRO COc1cccc(C[NH2+]CCc2cccc(C)c2)c1O ZINC000051668815 526016099 /nfs/dbraw/zinc/01/60/99/526016099.db2.gz IDZCFYBUFWVMQI-UHFFFAOYSA-N 1 0 271.360 3.042 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]Cc1ccc(F)c(F)c1)CC2 ZINC000296014783 526368235 /nfs/dbraw/zinc/36/82/35/526368235.db2.gz PAYBSVWGCZOUQD-CQSZACIVSA-N 1 0 275.298 3.448 20 10 CGCDRO c1cc(N2CCCCC2)ccc1C[NH2+]CC1CCOCC1 ZINC000070161101 526432101 /nfs/dbraw/zinc/43/21/01/526432101.db2.gz SKLQMZGBWRRLNC-UHFFFAOYSA-N 1 0 288.435 3.193 20 10 CGCDRO Cc1nc(F)ccc1C[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000278582631 526947243 /nfs/dbraw/zinc/94/72/43/526947243.db2.gz YSMYMIMDDVJYPK-UHFFFAOYSA-N 1 0 299.393 3.201 20 10 CGCDRO OCCC1(C[NH2+][C@@H]2CCc3cccc(O)c32)CCCCC1 ZINC000297842309 527532936 /nfs/dbraw/zinc/53/29/36/527532936.db2.gz SMFIILPYEMRMPB-OAHLLOKOSA-N 1 0 289.419 3.302 20 10 CGCDRO Cc1ccc2c(c1)[C@H]([NH2+]Cc1cc3c(cc1O)OCO3)CC2 ZINC000730109585 571949032 /nfs/dbraw/zinc/94/90/32/571949032.db2.gz SXZWXHWQEOKXMI-OAHLLOKOSA-N 1 0 297.354 3.206 20 10 CGCDRO COc1ccc(C[NH2+]CCN2[C@H](C)CCC[C@H]2C)cc1C ZINC000730818421 572377984 /nfs/dbraw/zinc/37/79/84/572377984.db2.gz VGLJARSVMLPJLI-HZPDHXFCSA-N 1 0 290.451 3.356 20 10 CGCDRO CCOc1ccc(C[NH2+]CCc2ccccc2)c(O)c1 ZINC000725841415 572435691 /nfs/dbraw/zinc/43/56/91/572435691.db2.gz HQGNMXCYDILPMX-UHFFFAOYSA-N 1 0 271.360 3.123 20 10 CGCDRO CC(C)CCC[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000733322512 572555289 /nfs/dbraw/zinc/55/52/89/572555289.db2.gz KLCPJGLQLZMNSQ-UHFFFAOYSA-N 1 0 252.377 3.418 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)cc1C ZINC000742376757 572570412 /nfs/dbraw/zinc/57/04/12/572570412.db2.gz GEZFFLCZPMBJLT-OIISXLGYSA-N 1 0 289.419 3.297 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(N(CC)CC)cc1)[C@@H]1CCOC1 ZINC000742380378 572571532 /nfs/dbraw/zinc/57/15/32/572571532.db2.gz IBFFHCMIWZFUPB-AEFFLSMTSA-N 1 0 290.451 3.438 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)Cc2cnccn2)cc1 ZINC000742723739 572612140 /nfs/dbraw/zinc/61/21/40/572612140.db2.gz LFPWJOYLJXWHLS-HNNXBMFYSA-N 1 0 298.434 3.044 20 10 CGCDRO CC(C)C[N@H+](C)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000744152029 572714773 /nfs/dbraw/zinc/71/47/73/572714773.db2.gz WKYJCUHZUMFIKI-UHFFFAOYSA-N 1 0 265.397 3.483 20 10 CGCDRO C[C@H]1SCC[N@H+](Cc2c(O)ccc3ccncc32)[C@H]1C ZINC000735668554 572737103 /nfs/dbraw/zinc/73/71/03/572737103.db2.gz VDEIYWXOAUYGAG-NWDGAFQWSA-N 1 0 288.416 3.266 20 10 CGCDRO CO[C@@]1(C)C[C@@H]([NH2+]Cc2c(O)cccc2Cl)C1(C)C ZINC000744448315 572754164 /nfs/dbraw/zinc/75/41/64/572754164.db2.gz IBYQQUHVMDVKPH-HIFRSBDPSA-N 1 0 283.799 3.339 20 10 CGCDRO CCC(CC)(CC(=O)OC)[NH2+]Cc1cc(Cl)ccc1O ZINC000749287513 572991587 /nfs/dbraw/zinc/99/15/87/572991587.db2.gz JRDTYQALOSYFRI-UHFFFAOYSA-N 1 0 299.798 3.257 20 10 CGCDRO C[C@@H](Cc1ccncc1)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000749293725 572991688 /nfs/dbraw/zinc/99/16/88/572991688.db2.gz DZNVKCPHPONFHH-ZDUSSCGKSA-N 1 0 287.382 3.008 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@H](C)c2ccncc2)cc1C ZINC000749298964 572991790 /nfs/dbraw/zinc/99/17/90/572991790.db2.gz ZWNVBCHVMXNISW-AWEZNQCLSA-N 1 0 270.376 3.297 20 10 CGCDRO CCC(C)(C)[NH2+]Cc1cc(Br)ccc1O ZINC000076398824 617968463 /nfs/dbraw/zinc/96/84/63/617968463.db2.gz ZPTRBJLZXCNXIX-UHFFFAOYSA-N 1 0 272.186 3.433 20 10 CGCDRO COCC[C@H](C)C[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000840836250 618155800 /nfs/dbraw/zinc/15/58/00/618155800.db2.gz WLVJGKRULQHRPR-WDEREUQCSA-N 1 0 271.788 3.369 20 10 CGCDRO COCC[C@H](C)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000840838098 618199015 /nfs/dbraw/zinc/19/90/15/618199015.db2.gz POQZZCUUBONMNA-KBPBESRZSA-N 1 0 264.413 3.076 20 10 CGCDRO CCC[C@@H](C)[N@H+](C)Cc1ccc(OC)c(OC)c1O ZINC000891624479 618242677 /nfs/dbraw/zinc/24/26/77/618242677.db2.gz BNDIPEQLOIBAHZ-LLVKDONJSA-N 1 0 267.369 3.030 20 10 CGCDRO COc1ccc(C[N@@H+]2CCCCC[C@H]2C)c(O)c1OC ZINC000892035521 618498657 /nfs/dbraw/zinc/49/86/57/618498657.db2.gz BEPWQTKVGJRYFF-GFCCVEGCSA-N 1 0 279.380 3.174 20 10 CGCDRO Cc1n[nH]cc1CCC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000050182727 618652075 /nfs/dbraw/zinc/65/20/75/618652075.db2.gz YLFXFYOMTZFZEY-ZDUSSCGKSA-N 1 0 286.423 3.068 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C2CCN(C3CC3)CC2)c(Cl)c1 ZINC000840871852 618733600 /nfs/dbraw/zinc/73/36/00/618733600.db2.gz GICJGZVCSZADLS-UHFFFAOYSA-N 1 0 294.826 3.070 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C(CC)(CC)CO)cc1 ZINC000053047556 618746132 /nfs/dbraw/zinc/74/61/32/618746132.db2.gz SVPVNOXBZRWJFK-UHFFFAOYSA-N 1 0 278.440 3.174 20 10 CGCDRO Cc1cccc(CC[NH2+]Cc2cc(C)c(C)cc2O)n1 ZINC000280496252 618761596 /nfs/dbraw/zinc/76/15/96/618761596.db2.gz FQVGUJKCPQIYBH-UHFFFAOYSA-N 1 0 270.376 3.045 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C)c(O)c1OC ZINC000892447889 618787745 /nfs/dbraw/zinc/78/77/45/618787745.db2.gz XNRRCFGVZDLGIN-WCQYABFASA-N 1 0 279.380 3.078 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000179557675 618795307 /nfs/dbraw/zinc/79/53/07/618795307.db2.gz LQMKDWCAUQMIIO-INIZCTEOSA-N 1 0 267.372 3.457 20 10 CGCDRO Cc1cc(O)c(C[NH+]2CCC(C)(O)CC2)cc1C(C)C ZINC000177190336 618807151 /nfs/dbraw/zinc/80/71/51/618807151.db2.gz XDVRBTSTBVYEQO-UHFFFAOYSA-N 1 0 277.408 3.171 20 10 CGCDRO CO[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2O)[C@@H](C)C1 ZINC000310601834 618813471 /nfs/dbraw/zinc/81/34/71/618813471.db2.gz BPYCOEZNGJWADE-GXFFZTMASA-N 1 0 269.772 3.045 20 10 CGCDRO COCCC[N@H+](C)Cc1c(O)ccc2ccc(OC)cc21 ZINC000066371201 618847481 /nfs/dbraw/zinc/84/74/81/618847481.db2.gz SPUVHZSAOUAMNI-UHFFFAOYSA-N 1 0 289.375 3.022 20 10 CGCDRO COC1([C@H](C)[NH2+][C@H](C)c2cc(F)ccc2O)CCC1 ZINC000840884358 618871334 /nfs/dbraw/zinc/87/13/34/618871334.db2.gz LCVWXZVVHZWAPB-MNOVXSKESA-N 1 0 267.344 3.140 20 10 CGCDRO CSCC[C@H](C)[NH2+][C@H](C)c1cc(C)ccc1O ZINC000168787332 618914256 /nfs/dbraw/zinc/91/42/56/618914256.db2.gz AJGDDZRMTUMAIP-NWDGAFQWSA-N 1 0 253.411 3.493 20 10 CGCDRO CC[C@H]([NH2+]CCOc1cccnc1)c1ccc(N(C)C)cc1 ZINC000169041206 618915534 /nfs/dbraw/zinc/91/55/34/618915534.db2.gz RZVIMXLOCTWTJW-SFHVURJKSA-N 1 0 299.418 3.267 20 10 CGCDRO COC1(C[NH2+]Cc2ccc(N3CCCCC3)cc2)CCC1 ZINC000181073927 618915683 /nfs/dbraw/zinc/91/56/83/618915683.db2.gz LDUPNWIPJFZVMB-UHFFFAOYSA-N 1 0 288.435 3.336 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCC[C@H](CO)C1)c1cc(Cl)ccc1O ZINC000840895572 618961757 /nfs/dbraw/zinc/96/17/57/618961757.db2.gz NVEVFTNEYMYYGC-GVXVVHGQSA-N 1 0 283.799 3.247 20 10 CGCDRO C[C@H]1SCC[C@@H]1[NH2+]Cc1c(O)cccc1Cl ZINC000309814303 618963266 /nfs/dbraw/zinc/96/32/66/618963266.db2.gz AIPNUMUZPZQPHJ-KCJUWKMLSA-N 1 0 257.786 3.029 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H](C)CN2CCC[C@H](C)C2)c(O)c1 ZINC000185123529 625308023 /nfs/dbraw/zinc/30/80/23/625308023.db2.gz RGYFHDBCDHRAPY-XHSDSOJGSA-N 1 0 290.451 3.472 20 10 CGCDRO CC[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@H](C)C(C)C ZINC000092590296 618995066 /nfs/dbraw/zinc/99/50/66/618995066.db2.gz JGZLUYUARZEIOP-MRXNPFEDSA-N 1 0 290.451 3.390 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H]2CCCO[C@@H]2CC(C)C)c1 ZINC000185192474 625317408 /nfs/dbraw/zinc/31/74/08/625317408.db2.gz CNUVYHYODVINSK-DOTOQJQBSA-N 1 0 277.408 3.384 20 10 CGCDRO COc1cc(O)c(C[NH2+]C[C@H](C)C(C)(C)C)cc1OC ZINC000776175185 619115611 /nfs/dbraw/zinc/11/56/11/619115611.db2.gz MDGMIYXRAXQBAI-NSHDSACASA-N 1 0 281.396 3.181 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C[C@@H](C)C(C)(C)C)c1 ZINC000162687971 619128514 /nfs/dbraw/zinc/12/85/14/619128514.db2.gz BJJMYYWDDRSDEH-LLVKDONJSA-N 1 0 251.370 3.173 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CC[C@H](C)O2)c(Cl)c1 ZINC000840953509 619256701 /nfs/dbraw/zinc/25/67/01/619256701.db2.gz TUKRISJEMZAQPL-WDEREUQCSA-N 1 0 269.772 3.011 20 10 CGCDRO Cc1ncsc1C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000094618187 619261077 /nfs/dbraw/zinc/26/10/77/619261077.db2.gz LHKRTVXPWMTZIG-QMMMGPOBSA-N 1 0 266.341 3.147 20 10 CGCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C12CCC2 ZINC000236878763 619299681 /nfs/dbraw/zinc/29/96/81/619299681.db2.gz FTUWPOJYLJUVCG-IAGOWNOFSA-N 1 0 289.419 3.441 20 10 CGCDRO CN(CCC[NH2+]Cc1ccc2c(c1)CCO2)c1ccccc1 ZINC000237089794 619423431 /nfs/dbraw/zinc/42/34/31/619423431.db2.gz OQJDIRJZLOWJMU-UHFFFAOYSA-N 1 0 296.414 3.238 20 10 CGCDRO C[C@@H](c1cccnc1)[N@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000894448088 619540859 /nfs/dbraw/zinc/54/08/59/619540859.db2.gz BDMHERWYWONCEI-JTQLQIEISA-N 1 0 278.302 3.258 20 10 CGCDRO CCCN(Cc1nc(C(C)C)c[nH]1)c1ccc(C[NH3+])cc1 ZINC000894569291 619579116 /nfs/dbraw/zinc/57/91/16/619579116.db2.gz FWALLOMKLFMXDO-UHFFFAOYSA-N 1 0 286.423 3.408 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)c1cc2c(cc1O)CCCC2 ZINC000185460327 625361681 /nfs/dbraw/zinc/36/16/81/625361681.db2.gz NNJKDCWGZTXYEK-FJQTWTKGSA-N 1 0 287.403 3.242 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(OC)c1O)[C@@H]1CC1(C)C ZINC000894955761 619686483 /nfs/dbraw/zinc/68/64/83/619686483.db2.gz RFTBWSVEHWMJBO-QWHCGFSZSA-N 1 0 293.407 3.324 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@@H](C)c2cncc(F)c2)c1O ZINC000894984370 619691971 /nfs/dbraw/zinc/69/19/71/619691971.db2.gz YEANALLRUMJRCN-NSHDSACASA-N 1 0 290.338 3.094 20 10 CGCDRO COc1cc(C)cc(C[NH2+]C[C@H](C)CC(F)F)c1O ZINC000895076690 619715143 /nfs/dbraw/zinc/71/51/43/619715143.db2.gz ZMWVJCAOUURAPL-SNVBAGLBSA-N 1 0 273.323 3.090 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCCCC[C@@H]2CCO)cc1C ZINC000793607900 619732970 /nfs/dbraw/zinc/73/29/70/619732970.db2.gz FPHUKZBRSMVRMJ-MRXNPFEDSA-N 1 0 277.408 3.136 20 10 CGCDRO COc1ccccc1C[NH2+][C@@H](C)c1ccccc1O ZINC000019903175 619763874 /nfs/dbraw/zinc/76/38/74/619763874.db2.gz CTMCEVJXFALAGS-LBPRGKRZSA-N 1 0 257.333 3.252 20 10 CGCDRO CCC[C@@H](C[NH2+]Cc1cc(C)cc(OC)c1O)OCC ZINC000895389199 619819148 /nfs/dbraw/zinc/81/91/48/619819148.db2.gz MGFDVDSJDAVTMI-AWEZNQCLSA-N 1 0 281.396 3.004 20 10 CGCDRO COCCCC1(C[NH2+]Cc2cc(C)ccc2O)CCC1 ZINC000895579941 619855889 /nfs/dbraw/zinc/85/58/89/619855889.db2.gz FQMDPQUEBZRFCO-UHFFFAOYSA-N 1 0 277.408 3.387 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1C[C@@]1(C)Br)c1ccccc1O ZINC000895850967 619897621 /nfs/dbraw/zinc/89/76/21/619897621.db2.gz HKPUAPHKKVTDJQ-GBIKHYSHSA-N 1 0 284.197 3.216 20 10 CGCDRO CO[C@H]1CC[C@H](C)[N@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000895926460 619908702 /nfs/dbraw/zinc/90/87/02/619908702.db2.gz FSEJDYQEIXGWCG-ZFWWWQNUSA-N 1 0 263.381 3.008 20 10 CGCDRO CCOCc1cc(C[NH2+][C@@H]2CC[C@@H]2C)ccc1OC ZINC000796526699 620103254 /nfs/dbraw/zinc/10/32/54/620103254.db2.gz PYZHZBYWKBXNIK-SWLSCSKDSA-N 1 0 263.381 3.120 20 10 CGCDRO Oc1ccc(F)cc1C[NH+]1CCC(F)(C2CC2)CC1 ZINC000896945348 620110274 /nfs/dbraw/zinc/11/02/74/620110274.db2.gz CYUFCSIGRVWPRR-UHFFFAOYSA-N 1 0 267.319 3.245 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCS[C@@H](C)C1 ZINC000896951546 620111802 /nfs/dbraw/zinc/11/18/02/620111802.db2.gz KFBZDCBHQHDGFG-ZFWWWQNUSA-N 1 0 278.465 3.435 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@H]2CCCc3cccnc32)c1O ZINC000897071771 620135374 /nfs/dbraw/zinc/13/53/74/620135374.db2.gz LREHDGSIDOUUBQ-HNNXBMFYSA-N 1 0 298.386 3.271 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H](c2cnn(C)c2)C(C)C)c1O ZINC000897080716 620135411 /nfs/dbraw/zinc/13/54/11/620135411.db2.gz ASKWRJXYHVYRKR-MRXNPFEDSA-N 1 0 287.407 3.175 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]C[C@]1(c2ccccc2)CCCO1 ZINC000897236220 620167596 /nfs/dbraw/zinc/16/75/96/620167596.db2.gz CSHMBTKTMSYVRV-IBGZPJMESA-N 1 0 297.398 3.496 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCC[C@@H](C3CCOCC3)C2)c(O)c1 ZINC000897271967 620176476 /nfs/dbraw/zinc/17/64/76/620176476.db2.gz WCQHQCZIMIFDEK-MRXNPFEDSA-N 1 0 289.419 3.339 20 10 CGCDRO COc1cc2c(cc1C[NH2+]Cc1ccccc1O)O[C@H](C)C2 ZINC000237293659 620189397 /nfs/dbraw/zinc/18/93/97/620189397.db2.gz JXQSXEADXBXHIZ-GFCCVEGCSA-N 1 0 299.370 3.014 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]Cc2cccc(F)c2)c1O ZINC000228670224 620268355 /nfs/dbraw/zinc/26/83/55/620268355.db2.gz HWFLRPHSIVHJCE-UHFFFAOYSA-N 1 0 295.741 3.483 20 10 CGCDRO Cc1nn(C)cc1[C@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841746197 620352047 /nfs/dbraw/zinc/35/20/47/620352047.db2.gz CXEHJCGYPKGZSG-ZJUUUORDSA-N 1 0 293.798 3.499 20 10 CGCDRO Cc1nn(C)cc1[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841746195 620352369 /nfs/dbraw/zinc/35/23/69/620352369.db2.gz CXEHJCGYPKGZSG-UWVGGRQHSA-N 1 0 293.798 3.499 20 10 CGCDRO C[C@@H]([NH2+]C[C@@]1(C)CCCO1)c1ccc(Cl)cc1O ZINC000841757395 620404348 /nfs/dbraw/zinc/40/43/48/620404348.db2.gz GCJTXKZMFQNWLR-QMTHXVAHSA-N 1 0 269.772 3.265 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]CCSCCC(F)(F)F)c1 ZINC000865788676 620408980 /nfs/dbraw/zinc/40/89/80/620408980.db2.gz WVXRBGTVBIAQHP-UHFFFAOYSA-N 1 0 293.354 3.476 20 10 CGCDRO C[C@H](Cc1ccsc1)[NH2+]CCc1ccc(N)cc1 ZINC000841034037 620414101 /nfs/dbraw/zinc/41/41/01/620414101.db2.gz FSDOXBXISFIGEG-GFCCVEGCSA-N 1 0 260.406 3.094 20 10 CGCDRO COc1cccc(O)c1C[NH2+][C@H]1CCCC2(CC2)C1 ZINC000897773523 620427281 /nfs/dbraw/zinc/42/72/81/620427281.db2.gz JVNDLKRAERKSQP-LBPRGKRZSA-N 1 0 261.365 3.213 20 10 CGCDRO COc1cccc(O)c1C[NH2+][C@H]1CCSC(C)(C)C1 ZINC000897800874 620434755 /nfs/dbraw/zinc/43/47/55/620434755.db2.gz VTBWTSCVOPBLDN-NSHDSACASA-N 1 0 281.421 3.165 20 10 CGCDRO C[C@H](Cc1cccnc1)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000897967210 620458829 /nfs/dbraw/zinc/45/88/29/620458829.db2.gz LEWNLBVYENSDEZ-OGZRUICASA-N 1 0 295.430 3.382 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccccc1O)c1cnn(CC2CCC2)c1 ZINC000898177987 620490188 /nfs/dbraw/zinc/49/01/88/620490188.db2.gz VUPHRNAMLPUSGQ-CYBMUJFWSA-N 1 0 285.391 3.240 20 10 CGCDRO CSCC(C)(C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000898305666 620509363 /nfs/dbraw/zinc/50/93/63/620509363.db2.gz NDMWDEVBZGECCG-UHFFFAOYSA-N 1 0 270.417 3.123 20 10 CGCDRO CC[C@](C)(C[NH2+][C@@H](C)c1ccc(C)cc1O)OC ZINC000322944017 620526034 /nfs/dbraw/zinc/52/60/34/620526034.db2.gz QCPAZCNBOFZGCT-SWLSCSKDSA-N 1 0 251.370 3.166 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@]2(C)CCCCO2)c1O ZINC000927014914 620561796 /nfs/dbraw/zinc/56/17/96/620561796.db2.gz QNCSWQKTHGQUFT-LRDDRELGSA-N 1 0 279.380 3.011 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCS[C@H](C)C1)c1ccccc1O ZINC000927029772 620564562 /nfs/dbraw/zinc/56/45/62/620564562.db2.gz FRUCIEAFCLJALO-WOPDTQHZSA-N 1 0 251.395 3.327 20 10 CGCDRO Cc1ccc(NCC[NH2+][C@@H](C)c2cc(C)ccc2O)nc1 ZINC000927074023 620571125 /nfs/dbraw/zinc/57/11/25/620571125.db2.gz YIKYXGWEWHYNNZ-AWEZNQCLSA-N 1 0 285.391 3.167 20 10 CGCDRO COC[C@@H](C[NH2+][C@@H](C)c1ccc(C)cc1O)C(C)C ZINC000927097322 620575466 /nfs/dbraw/zinc/57/54/66/620575466.db2.gz UOCOYVLZLDCMCT-UONOGXRCSA-N 1 0 265.397 3.270 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+]C/C=C/Cl)cc1 ZINC000898426942 620584842 /nfs/dbraw/zinc/58/48/42/620584842.db2.gz CJKSHQKDLMPJFS-OXWOXFIQSA-N 1 0 250.773 3.108 20 10 CGCDRO CCOCc1cc(C[NH2+]C/C=C/Cl)ccc1OC ZINC000898437258 620588434 /nfs/dbraw/zinc/58/84/34/620588434.db2.gz ZHTWJBCSENAPKB-QPJJXVBHSA-N 1 0 269.772 3.074 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCCC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000898516243 620595167 /nfs/dbraw/zinc/59/51/67/620595167.db2.gz ORSVBLZAYWFRDF-CVEARBPZSA-N 1 0 289.419 3.339 20 10 CGCDRO C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1N)c1ccc(N(C)C)cc1 ZINC000902441157 621320963 /nfs/dbraw/zinc/32/09/63/621320963.db2.gz CIIVKCGYURNLMF-MJXNMMHHSA-N 1 0 295.430 3.028 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)N[C@@H]2C[NH2+]CC2(C)C)c1O ZINC000902441660 621321213 /nfs/dbraw/zinc/32/12/13/621321213.db2.gz FNACFUNZKVWZSZ-ZWNOBZJWSA-N 1 0 282.815 3.003 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2csc(N)n2)c1O ZINC000902501004 621347218 /nfs/dbraw/zinc/34/72/18/621347218.db2.gz ZEDQEDCLQITTKP-MRVPVSSYSA-N 1 0 297.811 3.244 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CC[C@@H]3CCC[C@@H]32)c1O ZINC000902649680 621393058 /nfs/dbraw/zinc/39/30/58/621393058.db2.gz COJJXQGOSJJUHV-JSGCOSHPSA-N 1 0 261.365 3.084 20 10 CGCDRO C[C@H]([NH2+]Cc1cnn(CCF)c1)c1ccc(Cl)cc1O ZINC000903273979 621658182 /nfs/dbraw/zinc/65/81/82/621658182.db2.gz GZZDCZHRSZVJKA-JTQLQIEISA-N 1 0 297.761 3.062 20 10 CGCDRO C[C@H]([NH2+]C1CC2(C1)CO[C@H](C)C2)c1cc(F)ccc1O ZINC000903281140 621661079 /nfs/dbraw/zinc/66/10/79/621661079.db2.gz FLAXPTZCTXOWKV-IWIMUOFNSA-N 1 0 279.355 3.140 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CCOC12CCCC2)c1cc(F)ccc1O ZINC000903382277 621723688 /nfs/dbraw/zinc/72/36/88/621723688.db2.gz GLLOJAHXKWORLI-ABAIWWIYSA-N 1 0 279.355 3.284 20 10 CGCDRO CC[C@H]([NH2+]CC[C@H](O)C1CC1)c1cc(Cl)ccc1O ZINC000903406194 621729876 /nfs/dbraw/zinc/72/98/76/621729876.db2.gz HIFBYHMPDRUOOI-KBPBESRZSA-N 1 0 283.799 3.247 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2COC[C@@H]2C2CC2)cc1 ZINC000903436387 621745996 /nfs/dbraw/zinc/74/59/96/621745996.db2.gz JBQXRQCACHQJPD-VHSSKADRSA-N 1 0 288.435 3.218 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2COC[C@H]2C2CC2)cc1 ZINC000903436385 621746604 /nfs/dbraw/zinc/74/66/04/621746604.db2.gz JBQXRQCACHQJPD-KKXDTOCCSA-N 1 0 288.435 3.218 20 10 CGCDRO COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccc(C)cc2O)C1 ZINC000903451197 621761243 /nfs/dbraw/zinc/76/12/43/621761243.db2.gz SFYWGZLGXBELAK-MJBXVCDLSA-N 1 0 291.391 3.083 20 10 CGCDRO Oc1cc2c(cc1C[NH2+]CCC1CCCCC1)OCO2 ZINC000042880195 621888612 /nfs/dbraw/zinc/88/86/12/621888612.db2.gz AOEAVPJNJUTKAQ-UHFFFAOYSA-N 1 0 277.364 3.181 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@H+]2CCC[C@H](c3ccn(C)n3)C2)c1 ZINC000905719602 622098306 /nfs/dbraw/zinc/09/83/06/622098306.db2.gz SPAJUHKBDNVVRJ-HNNXBMFYSA-N 1 0 299.418 3.122 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1CCCS1)c1cc(F)ccc1O ZINC000149669314 622365530 /nfs/dbraw/zinc/36/55/30/622365530.db2.gz AYHOLYRQNJQUPJ-MWLCHTKSSA-N 1 0 255.358 3.078 20 10 CGCDRO CC[C@H](CSC)[NH2+]Cc1ccc(OC)c(C)c1 ZINC000163882924 622805188 /nfs/dbraw/zinc/80/51/88/622805188.db2.gz LTKGGOBWQXPQQL-CYBMUJFWSA-N 1 0 253.411 3.235 20 10 CGCDRO C[C@H]1OCC[N@H+](Cc2c(O)ccc3ccccc32)[C@H]1C ZINC000164099739 622816824 /nfs/dbraw/zinc/81/68/24/622816824.db2.gz NTPZZYPGMBXWRL-QWHCGFSZSA-N 1 0 271.360 3.155 20 10 CGCDRO CC[N@@H+](Cc1cc(C)cc(C)c1O)C[C@H]1CCCO1 ZINC000164200579 622820753 /nfs/dbraw/zinc/82/07/53/622820753.db2.gz OLSCNDJJPATIHB-OAHLLOKOSA-N 1 0 263.381 3.010 20 10 CGCDRO Cc1cc(O)c(CN2CC[NH2+]C[C@H]2c2ccccc2)cc1C ZINC000841100561 622877786 /nfs/dbraw/zinc/87/77/86/622877786.db2.gz HYTDEKHJSNOXRU-SFHVURJKSA-N 1 0 296.414 3.156 20 10 CGCDRO CCC[NH+](CCC)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000158051025 622994483 /nfs/dbraw/zinc/99/44/83/622994483.db2.gz MQVDSQIHRBQDEI-UHFFFAOYSA-N 1 0 294.414 3.284 20 10 CGCDRO Oc1ccc2ccccc2c1C[N@@H+]1CCCSCC1 ZINC000060842246 623074975 /nfs/dbraw/zinc/07/49/75/623074975.db2.gz QXVJPEIUXJIFDL-UHFFFAOYSA-N 1 0 273.401 3.484 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@H](C)c2ccsc2)c1 ZINC000061360932 623132366 /nfs/dbraw/zinc/13/23/66/623132366.db2.gz AZNDRZDIAJXOGD-SNVBAGLBSA-N 1 0 263.362 3.313 20 10 CGCDRO COc1cccc(C[NH2+][C@@H](C)c2ccsc2)c1O ZINC000061360771 623132511 /nfs/dbraw/zinc/13/25/11/623132511.db2.gz OPWLPNJISKBRQF-JTQLQIEISA-N 1 0 263.362 3.313 20 10 CGCDRO Cc1csc(CC[NH2+]Cc2ccc3c(c2)CCCO3)n1 ZINC000921524895 625631641 /nfs/dbraw/zinc/63/16/41/625631641.db2.gz KOWXNSXYVVIDJJ-UHFFFAOYSA-N 1 0 288.416 3.109 20 10 CGCDRO C[C@H]1C[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CCCO1 ZINC000172495184 623252168 /nfs/dbraw/zinc/25/21/68/623252168.db2.gz QBKUANLMJACHGM-LBPRGKRZSA-N 1 0 293.407 3.006 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]C1Cc2ccccc2C1 ZINC000231032251 623292379 /nfs/dbraw/zinc/29/23/79/623292379.db2.gz MBMRODWPWOFPQE-UHFFFAOYSA-N 1 0 273.763 3.303 20 10 CGCDRO Cc1csc(CC[NH2+][C@@H](C)c2cc(C)ccc2O)n1 ZINC000063132743 623301019 /nfs/dbraw/zinc/30/10/19/623301019.db2.gz YKGMFZDYIJPXKP-LBPRGKRZSA-N 1 0 276.405 3.359 20 10 CGCDRO CC[C@@H]([NH2+]CCc1nc(C)cs1)c1ccccc1O ZINC000063132424 623301103 /nfs/dbraw/zinc/30/11/03/623301103.db2.gz JEFFZBLCXWFVAZ-CYBMUJFWSA-N 1 0 276.405 3.441 20 10 CGCDRO Cc1csc(CC[NH2+][C@@H](C)c2ccccc2O)n1 ZINC000063132555 623301356 /nfs/dbraw/zinc/30/13/56/623301356.db2.gz CGKCGIBAXXJPDM-NSHDSACASA-N 1 0 262.378 3.050 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]CCN1CCCCCC1 ZINC000083551693 625644871 /nfs/dbraw/zinc/64/48/71/625644871.db2.gz CWQNQPYKELPJSW-UHFFFAOYSA-N 1 0 282.815 3.011 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)[C@@H]2CCCO2)cc1F ZINC000152061826 623611897 /nfs/dbraw/zinc/61/18/97/623611897.db2.gz PDPZUIPUYLOSPM-GUYCJALGSA-N 1 0 294.414 3.329 20 10 CGCDRO C[N@H+](CCOc1ccccc1)Cc1cc2c(cc1O)CCC2 ZINC000915805404 624031693 /nfs/dbraw/zinc/03/16/93/624031693.db2.gz YKPBFUIEOGPOTN-UHFFFAOYSA-N 1 0 297.398 3.392 20 10 CGCDRO CC[C@H]([NH2+]CCc1c(C)nn(C)c1C)c1ccccc1O ZINC000155011515 624410957 /nfs/dbraw/zinc/41/09/57/624410957.db2.gz WYVGEJCVPTUMRH-INIZCTEOSA-N 1 0 287.407 3.026 20 10 CGCDRO Cc1cccc(C[N@H+](C)Cc2cccc(C#N)c2)c1O ZINC000179681952 624675938 /nfs/dbraw/zinc/67/59/38/624675938.db2.gz VGBYUMNWXDLATD-UHFFFAOYSA-N 1 0 266.344 3.204 20 10 CGCDRO Cc1cccc(C[N@@H+](C)[C@H](C)Cc2ccc(O)cc2)c1O ZINC000180192554 624724915 /nfs/dbraw/zinc/72/49/15/624724915.db2.gz LFFCGKCXNOIMJJ-CQSZACIVSA-N 1 0 285.387 3.469 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2nc(C)c(C)s2)c1 ZINC000182371185 624992094 /nfs/dbraw/zinc/99/20/94/624992094.db2.gz OBMSZLNXZWFSLB-SNVBAGLBSA-N 1 0 292.404 3.325 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(CO)cc2)c1 ZINC000227460727 625040599 /nfs/dbraw/zinc/04/05/99/625040599.db2.gz BXGOMZBNNDJRSR-CYBMUJFWSA-N 1 0 271.360 3.044 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000070981908 625049572 /nfs/dbraw/zinc/04/95/72/625049572.db2.gz KXQCCAUKTDVEQZ-MRXNPFEDSA-N 1 0 296.414 3.374 20 10 CGCDRO C[C@H]([NH2+]CCC(=O)Nc1ccccc1)c1ccccc1O ZINC000183511568 625086187 /nfs/dbraw/zinc/08/61/87/625086187.db2.gz NSSFGQFQLUJMJG-ZDUSSCGKSA-N 1 0 284.359 3.072 20 10 CGCDRO CC(C)[C@H]1OCCC[C@@H]1C[NH2+][C@@H](C)c1ccccc1O ZINC000183614728 625097412 /nfs/dbraw/zinc/09/74/12/625097412.db2.gz GPYAEVMHVXXERJ-JJRVBVJISA-N 1 0 277.408 3.494 20 10 CGCDRO CCC(CC)(C[NH2+][C@H](C)c1ccc(C)cc1O)C(=O)OC ZINC000183876700 625161411 /nfs/dbraw/zinc/16/14/11/625161411.db2.gz PLMKZNFRYSBLSN-CYBMUJFWSA-N 1 0 293.407 3.331 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cncc(C)c2)c1 ZINC000186191611 625747210 /nfs/dbraw/zinc/74/72/10/625747210.db2.gz LEIPMYILJOKASB-CYBMUJFWSA-N 1 0 256.349 3.255 20 10 CGCDRO C[C@@H]1Cc2cc(C[NH2+]Cc3ccc4c(c3)CCO4)ccc2O1 ZINC000921652764 625807659 /nfs/dbraw/zinc/80/76/59/625807659.db2.gz YCTOSPNRQCRFLG-CYBMUJFWSA-N 1 0 295.382 3.235 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)C1CCOCC1 ZINC000921810951 625884977 /nfs/dbraw/zinc/88/49/77/625884977.db2.gz LZGUNXCSLFLWMK-QGZVFWFLSA-N 1 0 289.419 3.306 20 10 CGCDRO C[C@H]([NH2+]CCOc1ccccc1F)c1cc(F)ccc1O ZINC000756370400 625919475 /nfs/dbraw/zinc/91/94/75/625919475.db2.gz GXSKVTIXHYFCTE-NSHDSACASA-N 1 0 293.313 3.400 20 10 CGCDRO CC1(C)C[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)CCO1 ZINC000921936079 625937470 /nfs/dbraw/zinc/93/74/70/625937470.db2.gz NGGVYVCGKQCKCJ-HNNXBMFYSA-N 1 0 275.392 3.059 20 10 CGCDRO c1cc2c(cc1C[NH2+][C@@H]1CCO[C@@H](C3CC3)C1)CCCO2 ZINC000922002156 625957459 /nfs/dbraw/zinc/95/74/59/625957459.db2.gz VWQZQBKIMATLSM-SJLPKXTDSA-N 1 0 287.403 3.059 20 10 CGCDRO C[C@@H](O)[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1ccccc1 ZINC000922267932 625992103 /nfs/dbraw/zinc/99/21/03/625992103.db2.gz QLFFYONGSSLVLG-AUUYWEPGSA-N 1 0 297.398 3.223 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2ccc3c(c2)C[C@@H](C)O3)c1 ZINC000922283496 625993330 /nfs/dbraw/zinc/99/33/30/625993330.db2.gz BNUHVWKAXGHQKB-CYBMUJFWSA-N 1 0 283.371 3.314 20 10 CGCDRO CCOc1cccc(C[NH2+]C(C)(C)/C=C/Cl)c1O ZINC000922649867 626026264 /nfs/dbraw/zinc/02/62/64/626026264.db2.gz ZYALNWARRDICOV-CMDGGOBGSA-N 1 0 269.772 3.412 20 10 CGCDRO COc1cccc(C[NH2+][C@H]2CCSC3(CCC3)C2)c1O ZINC000922844772 626058138 /nfs/dbraw/zinc/05/81/38/626058138.db2.gz IDNGTHUWXABCAX-ZDUSSCGKSA-N 1 0 293.432 3.309 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCCCn2ccnc2)c(O)c1C ZINC000756460450 626092742 /nfs/dbraw/zinc/09/27/42/626092742.db2.gz QBDWFHQGOMJOFE-HNNXBMFYSA-N 1 0 287.407 3.337 20 10 CGCDRO c1cc(C[NH2+]CC[C@H]2CCC3(CCC3)O2)cc2c1OCC2 ZINC000922967147 626110071 /nfs/dbraw/zinc/11/00/71/626110071.db2.gz DXTLJYCVNMKRIA-MRXNPFEDSA-N 1 0 287.403 3.203 20 10 CGCDRO C[N@H+](CCSc1nccs1)Cc1ccccc1 ZINC000788099090 626205772 /nfs/dbraw/zinc/20/57/72/626205772.db2.gz HXIUYTWGPLRAMG-UHFFFAOYSA-N 1 0 264.419 3.367 20 10 CGCDRO COCC1(CC[NH2+][C@H](C)c2cc(C)ccc2O)CC1 ZINC000842890992 626268102 /nfs/dbraw/zinc/26/81/02/626268102.db2.gz PFCHLTSJQZWXJA-CYBMUJFWSA-N 1 0 263.381 3.168 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H](C)c2ccn(C)n2)cc1 ZINC000840816447 626274579 /nfs/dbraw/zinc/27/45/79/626274579.db2.gz NIQVOKIDNNFYGY-UONOGXRCSA-N 1 0 286.423 3.288 20 10 CGCDRO Oc1cccc(Cl)c1C[NH+]1CC(CC(F)(F)F)C1 ZINC000839138031 626322413 /nfs/dbraw/zinc/32/24/13/626322413.db2.gz LBZPPZQYNRROEG-UHFFFAOYSA-N 1 0 279.689 3.430 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]Cc2ccc(C)c(C)n2)c1 ZINC000839164253 626330718 /nfs/dbraw/zinc/33/07/18/626330718.db2.gz OEPFTBXYZISPKL-UHFFFAOYSA-N 1 0 286.375 3.093 20 10 CGCDRO Cc1cc(C)c(O)c(CN2CCC[N@@H+](C(C)(C)C)CC2)c1 ZINC000754720999 626584626 /nfs/dbraw/zinc/58/46/26/626584626.db2.gz YZBBINOSWCUOPD-UHFFFAOYSA-N 1 0 290.451 3.315 20 10 CGCDRO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1cc(C)cc(C)c1O ZINC000754739748 626585917 /nfs/dbraw/zinc/58/59/17/626585917.db2.gz NWTQREKVBNYTEC-KRWDZBQOSA-N 1 0 299.418 3.388 20 10 CGCDRO CSCC[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000756350522 626694501 /nfs/dbraw/zinc/69/45/01/626694501.db2.gz BCBBLSSODJORQR-NSHDSACASA-N 1 0 265.422 3.285 20 10 CGCDRO CCN1CCC[C@@H]1C[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756357744 626695521 /nfs/dbraw/zinc/69/55/21/626695521.db2.gz PGKJZBLDRRMWGA-YRGRVCCFSA-N 1 0 292.398 3.154 20 10 CGCDRO CCC[NH+]1CCC([NH2+][C@H](C)c2cc(F)cc(F)c2[O-])CC1 ZINC000756359022 626695860 /nfs/dbraw/zinc/69/58/60/626695860.db2.gz CCAHJEXPLPSPNN-LLVKDONJSA-N 1 0 298.377 3.195 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cn3ccccc3n2)c1 ZINC000756359771 626696385 /nfs/dbraw/zinc/69/63/85/626696385.db2.gz BVGKDMGECBDXLE-CYBMUJFWSA-N 1 0 281.359 3.199 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H](O)c1ccco1)c1cc(Cl)ccc1O ZINC000756384718 626699395 /nfs/dbraw/zinc/69/93/95/626699395.db2.gz OFJJPMQTEMZKRC-NOZJJQNGSA-N 1 0 281.739 3.023 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C2CCN(C3CCC3)CC2)c(O)c1 ZINC000756491601 626709239 /nfs/dbraw/zinc/70/92/39/626709239.db2.gz WNMOSXHRFAOBCR-AWEZNQCLSA-N 1 0 288.435 3.368 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(CC3CC3)C2)c(O)c1C ZINC000756556721 626714718 /nfs/dbraw/zinc/71/47/18/626714718.db2.gz XMWRQTWOHYPDHC-HOCLYGCPSA-N 1 0 288.435 3.144 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCOc2cccnc2)c(O)c1C ZINC000756573077 626716870 /nfs/dbraw/zinc/71/68/70/626716870.db2.gz POARJVZBQXWWNB-AWEZNQCLSA-N 1 0 286.375 3.134 20 10 CGCDRO CCCCN(C)CC[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000756577915 626717377 /nfs/dbraw/zinc/71/73/77/626717377.db2.gz SPHMFTVSBAUKSQ-AWEZNQCLSA-N 1 0 264.413 3.083 20 10 CGCDRO C[C@H]([NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F)c1cnn(C)c1 ZINC000756605424 626720007 /nfs/dbraw/zinc/72/00/07/626720007.db2.gz IHCVKNJJFLBTJC-GBIKHYSHSA-N 1 0 289.354 3.164 20 10 CGCDRO CCc1cc(C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)on1 ZINC000756604035 626720011 /nfs/dbraw/zinc/72/00/11/626720011.db2.gz CPUFTIAWMSXJMU-ZANVPECISA-N 1 0 290.338 3.420 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCN(C)[C@@H](C)C2)c2c1c(F)ccc2O ZINC000756615966 626720480 /nfs/dbraw/zinc/72/04/80/626720480.db2.gz XTYIZTRPKRBKBC-UHXUPSOCSA-N 1 0 292.398 3.152 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C)[C@H](C)C2)c2c1c(F)ccc2O ZINC000756615963 626720607 /nfs/dbraw/zinc/72/06/07/626720607.db2.gz XTYIZTRPKRBKBC-BYNQJWBRSA-N 1 0 292.398 3.152 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]CC(C)(C)CCCO)c2c1c(F)ccc2O ZINC000756665925 626726014 /nfs/dbraw/zinc/72/60/14/626726014.db2.gz WKBFIPDTVIGQCA-YPMHNXCESA-N 1 0 295.398 3.468 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]CC2(CCO)CCC2)c2c1c(F)ccc2O ZINC000756765948 626730083 /nfs/dbraw/zinc/73/00/83/626730083.db2.gz TWQRUKNARIRJHH-DGCLKSJQSA-N 1 0 293.382 3.222 20 10 CGCDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@H](C)c2cc(F)ccc2O)C1(C)C ZINC000756792102 626732855 /nfs/dbraw/zinc/73/28/55/626732855.db2.gz XQDQRBZFHXFSRZ-XEQNPHJVSA-N 1 0 281.371 3.241 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]CCOC2CCC2)c2c1c(F)ccc2O ZINC000756837086 626736008 /nfs/dbraw/zinc/73/60/08/626736008.db2.gz FPLQRUAKZXYVOR-ZWNOBZJWSA-N 1 0 279.355 3.238 20 10 CGCDRO CO[C@@H](C[NH2+][C@@H](C)c1cc(Cl)ccc1O)C(F)(F)F ZINC000756836067 626736058 /nfs/dbraw/zinc/73/60/58/626736058.db2.gz SCVZXSCHKFEWAR-CPCISQLKSA-N 1 0 297.704 3.274 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]CC23CCC(CC2)C3)c1 ZINC000756989827 626745123 /nfs/dbraw/zinc/74/51/23/626745123.db2.gz MMWZHCJGDMCSAE-UHFFFAOYSA-N 1 0 275.392 3.461 20 10 CGCDRO CCN(C)c1ccc(C[NH2+][C@@H](C)[C@](C)(OC)C2CC2)cc1 ZINC000839639652 626774114 /nfs/dbraw/zinc/77/41/14/626774114.db2.gz ORXRNBCKLYRQHE-KSSFIOAISA-N 1 0 290.451 3.436 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1cncc(F)c1)c1cc(F)ccc1O ZINC000757638671 626796329 /nfs/dbraw/zinc/79/63/29/626796329.db2.gz MQNAXSYWULKEDP-VHSXEESVSA-N 1 0 278.302 3.477 20 10 CGCDRO C[C@H]([NH2+]CC[C@@H]1CCOC1)c1cc2c(cc1O)CCCC2 ZINC000757657659 626798172 /nfs/dbraw/zinc/79/81/72/626798172.db2.gz MPMJHLYXNGDHST-UONOGXRCSA-N 1 0 289.419 3.348 20 10 CGCDRO COc1cccc(C[NH2+]CC(C)(C)[C@H]2CCCCO2)c1O ZINC000758499631 626846352 /nfs/dbraw/zinc/84/63/52/626846352.db2.gz RYTOWUFHIJPBDL-OAHLLOKOSA-N 1 0 293.407 3.086 20 10 CGCDRO COc1cccc(O)c1C[NH2+]CC(C)(C)[C@@H]1CCCCO1 ZINC000758498602 626846439 /nfs/dbraw/zinc/84/64/39/626846439.db2.gz KYKSBHQPLPVRPQ-INIZCTEOSA-N 1 0 293.407 3.086 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@H](c2cccnc2)C2CC2)c1 ZINC000758623139 626851414 /nfs/dbraw/zinc/85/14/14/626851414.db2.gz KJTFUJQTHAOLEX-SFHVURJKSA-N 1 0 298.386 3.427 20 10 CGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC2(C)C)c1O ZINC000761203611 627024708 /nfs/dbraw/zinc/02/47/08/627024708.db2.gz WRNYSCPYSPKGKN-UHFFFAOYSA-N 1 0 255.745 3.039 20 10 CGCDRO CC[C@H](CC(F)(F)F)[NH2+]Cc1cc(OC)ccc1O ZINC000761227814 627027127 /nfs/dbraw/zinc/02/71/27/627027127.db2.gz BZFMPQYBGXYQTE-SNVBAGLBSA-N 1 0 277.286 3.221 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)c1 ZINC000762610920 627117669 /nfs/dbraw/zinc/11/76/69/627117669.db2.gz AJVYMIZKEBSODO-BPLDGKMQSA-N 1 0 295.473 3.170 20 10 CGCDRO C[C@H]([NH2+]CC(=O)Nc1ccccc1)c1ccc(N(C)C)cc1 ZINC000765380812 627247254 /nfs/dbraw/zinc/24/72/54/627247254.db2.gz MNJWGWPTALLDDC-AWEZNQCLSA-N 1 0 297.402 3.042 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)cc1C)C1CCOCC1 ZINC000766028001 627288117 /nfs/dbraw/zinc/28/81/17/627288117.db2.gz CIDFRDWOKCARDP-SFHVURJKSA-N 1 0 290.451 3.356 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2C[C@H](OC(C)C)C2(C)C)c(O)c1 ZINC000766089769 627294628 /nfs/dbraw/zinc/29/46/28/627294628.db2.gz RAOACBIMXIKOPC-CVEARBPZSA-N 1 0 293.407 3.083 20 10 CGCDRO COc1cccc(C[NH2+][C@@H]2C[C@@H](OC(C)C)C2(C)C)c1O ZINC000766091178 627294921 /nfs/dbraw/zinc/29/49/21/627294921.db2.gz WPACFUJPUXQQAM-HUUCEWRRSA-N 1 0 293.407 3.083 20 10 CGCDRO CCOc1ccc(C[NH2+][C@H](C)CC(F)(F)F)c(O)c1 ZINC000766479602 627335791 /nfs/dbraw/zinc/33/57/91/627335791.db2.gz OKDCFGXQCDUSGO-SECBINFHSA-N 1 0 277.286 3.221 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCc3cc(O)ccc3C2)cc1 ZINC000767727006 627432888 /nfs/dbraw/zinc/43/28/88/627432888.db2.gz FXRLPJFTZZSVKU-QGZVFWFLSA-N 1 0 296.414 3.105 20 10 CGCDRO CC1(C)CCCN(CC[NH2+]Cc2c(O)cccc2Cl)C1 ZINC000767737502 627433495 /nfs/dbraw/zinc/43/34/95/627433495.db2.gz HOEKCUWGXXYTEP-UHFFFAOYSA-N 1 0 296.842 3.257 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)C2CCCC2)cc1F ZINC000768214443 627469017 /nfs/dbraw/zinc/46/90/17/627469017.db2.gz LUDVOXBGWQHUIL-UHFFFAOYSA-N 1 0 250.361 3.266 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)Cc2c[nH]nc2C)cc1 ZINC000768211795 627468993 /nfs/dbraw/zinc/46/89/93/627468993.db2.gz DMRQWLDUVRAOAQ-UHFFFAOYSA-N 1 0 286.423 3.196 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CCc3sccc3C2)c(O)c1 ZINC000768227632 627469255 /nfs/dbraw/zinc/46/92/55/627469255.db2.gz STAUHTOKAXLXKV-UHFFFAOYSA-N 1 0 289.400 3.411 20 10 CGCDRO C[C@H]1C[N@H+](Cc2cc(-c3ccccc3)ccc2O)CCO1 ZINC000768230182 627470048 /nfs/dbraw/zinc/47/00/48/627470048.db2.gz RIFDRIPHIHUSIE-AWEZNQCLSA-N 1 0 283.371 3.280 20 10 CGCDRO CC[C@H]1C[C@H](C)C[N@@H+]1Cc1cc(OC)c(C)cc1O ZINC000768466426 627481041 /nfs/dbraw/zinc/48/10/41/627481041.db2.gz QGUBITNGZUCIDG-FZMZJTMJSA-N 1 0 263.381 3.330 20 10 CGCDRO COCC[N@H+](Cc1cc(C)ccc1O)C1CCCC1 ZINC000768578628 627487344 /nfs/dbraw/zinc/48/73/44/627487344.db2.gz AVNWVVBBXFKMTD-UHFFFAOYSA-N 1 0 263.381 3.092 20 10 CGCDRO FC(F)C1CC([NH2+]CCCSc2nccs2)C1 ZINC000768692063 627494113 /nfs/dbraw/zinc/49/41/13/627494113.db2.gz JNIHBRZYXYUCLM-UHFFFAOYSA-N 1 0 278.393 3.259 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@H]1C1CC1 ZINC000769330938 627542605 /nfs/dbraw/zinc/54/26/05/627542605.db2.gz SCXMHNSAHQPLJH-ZDUSSCGKSA-N 1 0 251.757 3.420 20 10 CGCDRO OCCC[N@H+](Cc1cc(-c2ccccc2)ccc1O)C1CC1 ZINC000769404778 627549285 /nfs/dbraw/zinc/54/92/85/627549285.db2.gz POTODYFHZVMEAD-UHFFFAOYSA-N 1 0 297.398 3.406 20 10 CGCDRO COc1cccc(O)c1C[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000769425089 627550899 /nfs/dbraw/zinc/55/08/99/627550899.db2.gz CQBGKTNKAFNJSR-STQMWFEESA-N 1 0 261.365 3.023 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCO[C@@H](C)[C@@H]2C)cc1 ZINC000769421592 627551017 /nfs/dbraw/zinc/55/10/17/627551017.db2.gz AXXHNBGPTIACPV-GJZGRUSLSA-N 1 0 276.424 3.142 20 10 CGCDRO COc1cccc(O)c1C[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000769425086 627551292 /nfs/dbraw/zinc/55/12/92/627551292.db2.gz CQBGKTNKAFNJSR-CHWSQXEVSA-N 1 0 261.365 3.023 20 10 CGCDRO Oc1cccc(Cl)c1C[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000769427847 627551686 /nfs/dbraw/zinc/55/16/86/627551686.db2.gz PTNFJTRPCGGCIK-UHFFFAOYSA-N 1 0 291.782 3.148 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC(C)(C)OCC2(C)C)cc1C ZINC000769446121 627552960 /nfs/dbraw/zinc/55/29/60/627552960.db2.gz NGNRUXGXHSCWOC-UHFFFAOYSA-N 1 0 277.408 3.398 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](C)C2)c(O)c1 ZINC000769451574 627554290 /nfs/dbraw/zinc/55/42/90/627554290.db2.gz NFEFUAPHRYPKCV-CHWSQXEVSA-N 1 0 263.381 3.269 20 10 CGCDRO CCOc1ccc(C[N@H+](C)CCC2CCOCC2)c(O)c1 ZINC000769468544 627556712 /nfs/dbraw/zinc/55/67/12/627556712.db2.gz KPUUIQMVEFWPSX-UHFFFAOYSA-N 1 0 293.407 3.039 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]Cc1ccc2c(c1)COC2 ZINC000769927663 627590416 /nfs/dbraw/zinc/59/04/16/627590416.db2.gz HXAFWJLBTBGOPY-UHFFFAOYSA-N 1 0 289.762 3.366 20 10 CGCDRO C[C@H]1C[C@@H]([NH2+]CC2(CO)CCCC2)c2c1c(F)ccc2O ZINC000769995766 627596311 /nfs/dbraw/zinc/59/63/11/627596311.db2.gz KRGNODXIFAUYGE-WCQYABFASA-N 1 0 293.382 3.222 20 10 CGCDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(Cc2ccccc2O)C1 ZINC000770510142 627623374 /nfs/dbraw/zinc/62/33/74/627623374.db2.gz YSWACJRUDDBRJA-HLLBOEOZSA-N 1 0 288.435 3.229 20 10 CGCDRO COc1ccc(N2CC[NH+]([C@H](C)CC(C)C)CC2)cc1F ZINC000770504290 627623430 /nfs/dbraw/zinc/62/34/30/627623430.db2.gz CJIGPYXOLJAWMD-CQSZACIVSA-N 1 0 294.414 3.391 20 10 CGCDRO CCOc1ccc(C[NH2+][C@H](C)c2cnccc2C)c(O)c1 ZINC000770744700 627641920 /nfs/dbraw/zinc/64/19/20/627641920.db2.gz BFLNFDIJZFERHK-CYBMUJFWSA-N 1 0 286.375 3.345 20 10 CGCDRO Cc1ncc(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)cn1 ZINC000771791274 627731886 /nfs/dbraw/zinc/73/18/86/627731886.db2.gz LASQWPWBZVTBBJ-UHFFFAOYSA-N 1 0 296.418 3.016 20 10 CGCDRO COc1ccc(N2CC[NH+](CC3(C)CCC3)CC2)cc1 ZINC000774820812 628035239 /nfs/dbraw/zinc/03/52/39/628035239.db2.gz QEELKTYEEVLODK-UHFFFAOYSA-N 1 0 274.408 3.007 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2CCC[C@H]2OC)cc1 ZINC000774830921 628035948 /nfs/dbraw/zinc/03/59/48/628035948.db2.gz GMJQHRHOXRJZDY-FUHWJXTLSA-N 1 0 290.451 3.438 20 10 CGCDRO CN(CC1(C)CCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000775063606 628059635 /nfs/dbraw/zinc/05/96/35/628059635.db2.gz UZGUAMBXYAZGJO-UHFFFAOYSA-N 1 0 276.424 3.253 20 10 CGCDRO CC[C@H]([NH2+]CCN(C)C(C)C)c1cc(Cl)ccc1O ZINC000775499832 628101397 /nfs/dbraw/zinc/10/13/97/628101397.db2.gz FWKYREGKENECBU-AWEZNQCLSA-N 1 0 284.831 3.427 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1CCN(C2CC2)C1)c1cc(Cl)ccc1O ZINC000775501840 628102112 /nfs/dbraw/zinc/10/21/12/628102112.db2.gz LVAFRTFHMQMCCB-IUODEOHRSA-N 1 0 294.826 3.323 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](C)C[C@@H](C)O)c1cc(Cl)ccc1O ZINC000775510274 628102667 /nfs/dbraw/zinc/10/26/67/628102667.db2.gz ZKSKMBZGFUORCB-WDMOLILDSA-N 1 0 285.815 3.493 20 10 CGCDRO Cc1cccc(C[N@H+](C)Cc2cccc(O)c2)c1O ZINC000775632858 628117024 /nfs/dbraw/zinc/11/70/24/628117024.db2.gz BCQGMJUSHPXXEB-UHFFFAOYSA-N 1 0 257.333 3.038 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](c1nccn1C)C1CC1 ZINC000775635293 628117774 /nfs/dbraw/zinc/11/77/74/628117774.db2.gz VHUYVCUTJXARBT-KRWDZBQOSA-N 1 0 298.434 3.035 20 10 CGCDRO Cc1cc(Cl)cc(C[NH+]2C[C@@H](C)[C@H](C)C2)c1O ZINC000775706789 628127584 /nfs/dbraw/zinc/12/75/84/628127584.db2.gz DKOBGYIAEDEYSV-GHMZBOCLSA-N 1 0 253.773 3.442 20 10 CGCDRO C[C@H]([NH2+]CCCc1ccncc1)c1ccc(N(C)C)cc1 ZINC000775830279 628140199 /nfs/dbraw/zinc/14/01/99/628140199.db2.gz GWZGAZOOGWCDJR-HNNXBMFYSA-N 1 0 283.419 3.431 20 10 CGCDRO CCC1(CC)[C@@H]([NH2+]Cc2cc(OC)ccc2O)C[C@@H]1OC ZINC000776165470 628174024 /nfs/dbraw/zinc/17/40/24/628174024.db2.gz RAXPAZSYSKYIAA-HOTGVXAUSA-N 1 0 293.407 3.084 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+]C[C@H]2CCO[C@H](C)C2)c1O ZINC000776256206 628185374 /nfs/dbraw/zinc/18/53/74/628185374.db2.gz NDOFTPLSFTWFPN-NEPJUHHUSA-N 1 0 283.799 3.259 20 10 CGCDRO COc1ccc(C[NH2+]Cc2ccc(N(C)C)cc2)c(C)c1 ZINC000776254033 628185605 /nfs/dbraw/zinc/18/56/05/628185605.db2.gz ZUTNRHRABJRSBU-UHFFFAOYSA-N 1 0 284.403 3.359 20 10 CGCDRO CO[C@@H]1[C@@H](C)[C@H]([NH2+]Cc2cc(C)c(C)cc2O)C1(C)C ZINC000776497253 628214577 /nfs/dbraw/zinc/21/45/77/628214577.db2.gz DBQHUVICSNFUOV-VBNZEHGJSA-N 1 0 277.408 3.158 20 10 CGCDRO COc1cccc(C[NH2+][C@H]2CCO[C@H](CC(C)C)C2)c1O ZINC000776955193 628240734 /nfs/dbraw/zinc/24/07/34/628240734.db2.gz VAZRWQBYPSDLSK-LSDHHAIUSA-N 1 0 293.407 3.084 20 10 CGCDRO CCOc1ccc(C[NH2+][C@H]2CC(C)(C)OC2(C)C)c(O)c1 ZINC000778112948 628326616 /nfs/dbraw/zinc/32/66/16/628326616.db2.gz GURJDTMPOPEFJM-HNNXBMFYSA-N 1 0 293.407 3.227 20 10 CGCDRO CC(C)[C@H]1C[C@H](C[NH2+]Cc2ccc(N(C)C)cc2)CCO1 ZINC000778626286 628361465 /nfs/dbraw/zinc/36/14/65/628361465.db2.gz DJWJRMTZIRHFLW-SJLPKXTDSA-N 1 0 290.451 3.293 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2CCO)c2c1c(F)ccc2O ZINC000779088336 628388245 /nfs/dbraw/zinc/38/82/45/628388245.db2.gz MSAMHKNJIATQPW-OXHZDVMGSA-N 1 0 293.382 3.220 20 10 CGCDRO Cc1cc(Cl)cc(C[N@H+](C)C[C@H]2CCCC[C@H]2O)c1O ZINC000779152999 628391229 /nfs/dbraw/zinc/39/12/29/628391229.db2.gz IZRGBYPDZUBUQH-IUODEOHRSA-N 1 0 297.826 3.337 20 10 CGCDRO COc1ccc(N2CCC([NH2+][C@@H]3CC[C@@H]3C)CC2)cc1 ZINC000783236906 628691894 /nfs/dbraw/zinc/69/18/94/628691894.db2.gz KTHOAYVLOIJSHK-SUMWQHHRSA-N 1 0 274.408 3.052 20 10 CGCDRO CC[C@H]([NH2+]CC1(N(C)C)CCC1)c1ccc(N(C)C)cc1 ZINC000783314380 628703256 /nfs/dbraw/zinc/70/32/56/628703256.db2.gz MVMWFHNLVGHNBB-KRWDZBQOSA-N 1 0 289.467 3.278 20 10 CGCDRO C[C@H]([NH2+]CC1Cc2ccccc2C1)c1ccccc1O ZINC000783524141 628721606 /nfs/dbraw/zinc/72/16/06/628721606.db2.gz XRMUBFHYGHKQNG-ZDUSSCGKSA-N 1 0 267.372 3.458 20 10 CGCDRO CO[C@@H]1C[N@H+](Cc2cc3c(cc2O)CCCC3)CC[C@@H]1C ZINC000783969070 628761020 /nfs/dbraw/zinc/76/10/20/628761020.db2.gz RVHUGVLIFCMBBJ-SCLBCKFNSA-N 1 0 289.419 3.128 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@]2(C)CCO[C@@H]2C)cc1F ZINC000784641022 628826576 /nfs/dbraw/zinc/82/65/76/628826576.db2.gz ULDKUJHWAFHMHC-CXAGYDPISA-N 1 0 294.414 3.329 20 10 CGCDRO COc1ccc2c(c1)CC[N@@H+](Cc1cccc(C)c1O)CC2 ZINC000784680299 628829397 /nfs/dbraw/zinc/82/93/97/628829397.db2.gz QWDAOYMDAANAHA-UHFFFAOYSA-N 1 0 297.398 3.310 20 10 CGCDRO Oc1ccccc1C[NH2+]Cc1cnc(-c2ccco2)s1 ZINC000785446760 628862860 /nfs/dbraw/zinc/86/28/60/628862860.db2.gz UMGDCKPPRZOIOX-UHFFFAOYSA-N 1 0 286.356 3.399 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]Cc2cscc2C)c1 ZINC000785522040 628869181 /nfs/dbraw/zinc/86/91/81/628869181.db2.gz OTJJKCWSOICCPO-UHFFFAOYSA-N 1 0 277.389 3.451 20 10 CGCDRO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(F)cc(C(C)=O)c1O ZINC000787994261 629038413 /nfs/dbraw/zinc/03/84/13/629038413.db2.gz FGXYBHIYTFDXJI-ABAIWWIYSA-N 1 0 279.355 3.402 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cn2ccccc2n1 ZINC000788502181 629060146 /nfs/dbraw/zinc/06/01/46/629060146.db2.gz HCJGBBPEWVOURX-CQSZACIVSA-N 1 0 294.402 3.251 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1cc[nH]c(=O)c1 ZINC000788524815 629062377 /nfs/dbraw/zinc/06/23/77/629062377.db2.gz HVBORINBCOHLPT-AWEZNQCLSA-N 1 0 297.402 3.238 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCSC(C)(C)CC2)c1O ZINC000789763812 629166589 /nfs/dbraw/zinc/16/65/89/629166589.db2.gz QCAIJOKAGYIYGY-UHFFFAOYSA-N 1 0 265.422 3.418 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCc2ccc3c[nH]nc3c2)cc1C ZINC000790619295 629221278 /nfs/dbraw/zinc/22/12/78/629221278.db2.gz PPWZHOZPJQJTQC-UHFFFAOYSA-N 1 0 295.386 3.218 20 10 CGCDRO C[N@H+](Cc1c(O)cccc1Br)C1CCC1 ZINC000862246414 629329966 /nfs/dbraw/zinc/32/99/66/629329966.db2.gz OCUAJJINPFJIPW-UHFFFAOYSA-N 1 0 270.170 3.139 20 10 CGCDRO COCC[N@H+](Cc1ccccc1O)[C@@H]1CC[C@H](C)C1 ZINC000792192480 629346784 /nfs/dbraw/zinc/34/67/84/629346784.db2.gz KZJGFQWIOWRBLE-DZGCQCFKSA-N 1 0 263.381 3.029 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H](C)C2CCSCC2)c1 ZINC000862478186 629384176 /nfs/dbraw/zinc/38/41/76/629384176.db2.gz DQTIEIBIKACCRD-GFCCVEGCSA-N 1 0 265.422 3.322 20 10 CGCDRO Cc1cc(Br)cc(C[N@H+]2[C@H](C)C[C@@H]2C)c1O ZINC000793221646 629427170 /nfs/dbraw/zinc/42/71/70/629427170.db2.gz YKGDSXRWGVLHDX-AOOOYVTPSA-N 1 0 284.197 3.446 20 10 CGCDRO COC1(C[NH2+]Cc2cc(F)ccc2O)CCC(C)CC1 ZINC000793291420 629440829 /nfs/dbraw/zinc/44/08/29/629440829.db2.gz RAHOIQNJASWJHI-UHFFFAOYSA-N 1 0 281.371 3.216 20 10 CGCDRO CCOc1cccc(C[N@H+](C)Cc2cnccc2C)c1O ZINC000793339474 629445082 /nfs/dbraw/zinc/44/50/82/629445082.db2.gz LJELRUXLOCHZSY-UHFFFAOYSA-N 1 0 286.375 3.126 20 10 CGCDRO Oc1cc2c(cc1C[N@@H+]1CCO[C@@H]3CCC[C@@H]31)CCCC2 ZINC000863304716 629527979 /nfs/dbraw/zinc/52/79/79/629527979.db2.gz MGLFUZXWIUFXTA-FUHWJXTLSA-N 1 0 287.403 3.024 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CCCC3(CC3)CC2)c1O ZINC000863330654 629535094 /nfs/dbraw/zinc/53/50/94/629535094.db2.gz QFIAWFSZUHHDBZ-UHFFFAOYSA-N 1 0 275.392 3.475 20 10 CGCDRO CC[C@H]([NH2+]CCOCC(F)(F)F)c1ccc(C)cc1O ZINC000794805182 629579245 /nfs/dbraw/zinc/57/92/45/629579245.db2.gz WLUQBXYQDVDYAU-LBPRGKRZSA-N 1 0 291.313 3.320 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](CO)CC2CCC2)cc1 ZINC000794832889 629583982 /nfs/dbraw/zinc/58/39/82/629583982.db2.gz IEZCHFZOGQOZIV-RHSMWYFYSA-N 1 0 290.451 3.344 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccnc2F)c(O)c1C ZINC000794837103 629586142 /nfs/dbraw/zinc/58/61/42/629586142.db2.gz UNEMRHVRJCGTES-GFCCVEGCSA-N 1 0 274.339 3.394 20 10 CGCDRO CCn1ncnc1C[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000794841605 629586954 /nfs/dbraw/zinc/58/69/54/629586954.db2.gz NHUOCGPDKPRVRS-GFCCVEGCSA-N 1 0 296.374 3.008 20 10 CGCDRO CC[C@H](N[C@H]1CC[C@@H](C)[NH2+]C1)c1cc(Cl)ccc1O ZINC000863547574 629603540 /nfs/dbraw/zinc/60/35/40/629603540.db2.gz PYQBHIXWDOOTLW-OSMZGAPFSA-N 1 0 282.815 3.227 20 10 CGCDRO C[C@@H](N[C@@H]1CC[C@@H](C)[NH2+]C1)c1ccc2ccccc2c1O ZINC000863548494 629603642 /nfs/dbraw/zinc/60/36/42/629603642.db2.gz YERJXLNACHMJSG-UMVBOHGHSA-N 1 0 284.403 3.337 20 10 CGCDRO CC(C)[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000796724754 629820932 /nfs/dbraw/zinc/82/09/32/629820932.db2.gz UHEANJPAORYDDM-ZFWWWQNUSA-N 1 0 264.388 3.416 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccccc2O)cc1F ZINC000120045790 629834420 /nfs/dbraw/zinc/83/44/20/629834420.db2.gz YAHMGWIIHBLOKF-UHFFFAOYSA-N 1 0 288.366 3.229 20 10 CGCDRO Oc1ccccc1C[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000798494082 630059929 /nfs/dbraw/zinc/05/99/29/630059929.db2.gz IXRNQWTYXYTTDR-NUEKZKHPSA-N 1 0 275.392 3.077 20 10 CGCDRO Cc1cc(Cl)nc(C[NH2+]Cc2ccccc2O)c1 ZINC000800284727 630261814 /nfs/dbraw/zinc/26/18/14/630261814.db2.gz OOKHPCXANOPKBP-UHFFFAOYSA-N 1 0 262.740 3.039 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCC23CCC3)cc1F ZINC000800474263 630283633 /nfs/dbraw/zinc/28/36/33/630283633.db2.gz JRAPWTKRPIPELF-OAHLLOKOSA-N 1 0 262.372 3.314 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]CCCOC(F)F)c2c1c(F)ccc2O ZINC000800989961 630318441 /nfs/dbraw/zinc/31/84/41/630318441.db2.gz LMCRALWQFMGBKN-SCZZXKLOSA-N 1 0 289.297 3.299 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2C[C@@H](C)O[C@H]2C)c(Cl)c1 ZINC000865689611 630359801 /nfs/dbraw/zinc/35/98/01/630359801.db2.gz KVZIEIBZCKSHEM-GBIKHYSHSA-N 1 0 269.772 3.010 20 10 CGCDRO COC[C@@H]1CC[N@@H+]1Cc1cc(C)cc(C(C)(C)C)c1O ZINC000840083757 630583348 /nfs/dbraw/zinc/58/33/48/630583348.db2.gz RKYXOIFRIPEMEZ-AWEZNQCLSA-N 1 0 277.408 3.219 20 10 CGCDRO CO[C@H]1CC[N@H+](Cc2cc3c(cc2O)CCCC3)C[C@@H]1C ZINC000840124113 630605463 /nfs/dbraw/zinc/60/54/63/630605463.db2.gz NTUCLIMZFBNPCC-UGSOOPFHSA-N 1 0 289.419 3.128 20 10 CGCDRO COC[C@@H](C)[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808671925 630662328 /nfs/dbraw/zinc/66/23/28/630662328.db2.gz WBUPOXPVHBGBGZ-ZJUUUORDSA-N 1 0 257.761 3.040 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@](C)(O)C2CC2)c1O ZINC000808694317 630665254 /nfs/dbraw/zinc/66/52/54/630665254.db2.gz BTKMNLKQFOTDBC-BMIGLBTASA-N 1 0 283.799 3.166 20 10 CGCDRO CCCC[C@](C)(CO)[NH2+]Cc1cc(C)c(C)cc1O ZINC000842747388 635458749 /nfs/dbraw/zinc/45/87/49/635458749.db2.gz RGFPSXHITUKYFS-MRXNPFEDSA-N 1 0 265.397 3.040 20 10 CGCDRO COc1cccc(C[NH2+]C[C@@H]2C(C)=CCC[C@H]2C)c1O ZINC000809740400 630796865 /nfs/dbraw/zinc/79/68/65/630796865.db2.gz XQKCREMUCWPQNQ-UKRRQHHQSA-N 1 0 275.392 3.483 20 10 CGCDRO CCCCN(C)C[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC000810163545 630848712 /nfs/dbraw/zinc/84/87/12/630848712.db2.gz YIYXDTYMNOXGPR-OAHLLOKOSA-N 1 0 278.440 3.214 20 10 CGCDRO CCCN(CC)C[C@H](C)[NH2+]Cc1cccc(OCC)c1O ZINC000810180721 630851216 /nfs/dbraw/zinc/85/12/16/630851216.db2.gz JHYSXRNMYUFIPO-AWEZNQCLSA-N 1 0 294.439 3.001 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cc[nH]n1)c1ccc(C(F)(F)F)cc1O ZINC000810217081 630855023 /nfs/dbraw/zinc/85/50/23/630855023.db2.gz VXCJVKFFQZWPIL-GFCCVEGCSA-N 1 0 299.296 3.375 20 10 CGCDRO CCOCC[NH2+][C@H](CC)c1ccc(C(F)(F)F)cc1O ZINC000810211330 630855202 /nfs/dbraw/zinc/85/52/02/630855202.db2.gz PRIGPAGLKDZAIJ-GFCCVEGCSA-N 1 0 291.313 3.488 20 10 CGCDRO CC[C@H](C[NH2+][C@H](C)c1cc(Cl)cc(C)c1O)OC ZINC000810257533 630859928 /nfs/dbraw/zinc/85/99/28/630859928.db2.gz CLBIOGIOWSTBGP-ZYHUDNBSSA-N 1 0 271.788 3.430 20 10 CGCDRO CC[N@H+](Cc1cc(OC)ccc1O)[C@@H]1CCOC(C)(C)C1 ZINC000811511598 631080303 /nfs/dbraw/zinc/08/03/03/631080303.db2.gz OMNFAIKXBJXFQD-CQSZACIVSA-N 1 0 293.407 3.180 20 10 CGCDRO CC1(C)C[N@H+](Cc2c(O)cccc2Cl)[C@H]1[C@@H]1CCCO1 ZINC000811511059 631080913 /nfs/dbraw/zinc/08/09/13/631080913.db2.gz SZEXZVHMRFKNJU-GJZGRUSLSA-N 1 0 295.810 3.435 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H]2COc3c(C)cccc3C2)c1O ZINC000811518978 631083842 /nfs/dbraw/zinc/08/38/42/631083842.db2.gz UCQUDEJOVHRFSM-INIZCTEOSA-N 1 0 283.371 3.102 20 10 CGCDRO CC[C@H]([NH2+]CC(C)(C)COC)c1ccc(N(C)C)cc1 ZINC000813883063 631476117 /nfs/dbraw/zinc/47/61/17/631476117.db2.gz PVYYNCVUCVLEAU-INIZCTEOSA-N 1 0 278.440 3.466 20 10 CGCDRO CC[N@@H+](Cc1ccc(N(C)C)c(C)c1)C[C@H]1CCCO1 ZINC000815029235 631704723 /nfs/dbraw/zinc/70/47/23/631704723.db2.gz OVECCQLCEIRDBJ-MRXNPFEDSA-N 1 0 276.424 3.062 20 10 CGCDRO Cc1cc(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)ccc1N(C)C ZINC000815053756 631707519 /nfs/dbraw/zinc/70/75/19/631707519.db2.gz QTTCWWRSLXGPOU-GASCZTMLSA-N 1 0 258.409 3.149 20 10 CGCDRO Cc1cc(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)ccc1N(C)C ZINC000815061479 631708597 /nfs/dbraw/zinc/70/85/97/631708597.db2.gz WGGOFJMIYWINJS-SJLPKXTDSA-N 1 0 288.435 3.062 20 10 CGCDRO Cc1cc(C[N@H+](C)Cc2ccccc2O)ccc1N(C)C ZINC000815070624 631711182 /nfs/dbraw/zinc/71/11/82/631711182.db2.gz VVGRGWZUVWENTH-UHFFFAOYSA-N 1 0 284.403 3.399 20 10 CGCDRO Cc1cc(C[N@H+]2CC[C@@H](C)[C@H](F)C2)ccc1N(C)C ZINC000815087976 631713575 /nfs/dbraw/zinc/71/35/75/631713575.db2.gz WVIGLMHCIWBZAR-IUODEOHRSA-N 1 0 264.388 3.241 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)c(C)c1)[C@H]1CCCO1 ZINC000815089009 631713598 /nfs/dbraw/zinc/71/35/98/631713598.db2.gz NDDUZNMKFKESTE-NVXWUHKLSA-N 1 0 276.424 3.108 20 10 CGCDRO Cc1cc(C[N@H+](C)C[C@H]2CCCC[C@H]2O)ccc1N(C)C ZINC000815087745 631713823 /nfs/dbraw/zinc/71/38/23/631713823.db2.gz NMSPNIAGZKVPMR-SJLPKXTDSA-N 1 0 290.451 3.044 20 10 CGCDRO Cc1cc(C[N@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)ccc1N(C)C ZINC000815099586 631716765 /nfs/dbraw/zinc/71/67/65/631716765.db2.gz LBJCEAVJMSODIK-ZNMIVQPWSA-N 1 0 276.424 3.059 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCO[C@H](C(C)(C)C)C2)cc1 ZINC000815102914 631718014 /nfs/dbraw/zinc/71/80/14/631718014.db2.gz MLNREDMMBDPQQA-KRWDZBQOSA-N 1 0 290.451 3.390 20 10 CGCDRO Cc1sccc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000815121789 631721462 /nfs/dbraw/zinc/72/14/62/631721462.db2.gz CXXUXUAXJPGQON-UHFFFAOYSA-N 1 0 259.374 3.281 20 10 CGCDRO COc1ccc(N2CCC([NH2+]CC[C@H](C)F)CC2)cc1 ZINC000815148894 631730627 /nfs/dbraw/zinc/73/06/27/631730627.db2.gz OZTSMUXCSSRFHP-ZDUSSCGKSA-N 1 0 280.387 3.002 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)[C@@]1(C)CCCO1 ZINC000815580953 631798864 /nfs/dbraw/zinc/79/88/64/631798864.db2.gz UJVGDKWUNAIFAF-RHSMWYFYSA-N 1 0 276.424 3.108 20 10 CGCDRO CCC(CC)[C@H](O)C[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000815578190 631799161 /nfs/dbraw/zinc/79/91/61/631799161.db2.gz JNFWGWBVHVQECB-XJKSGUPXSA-N 1 0 279.424 3.457 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)[C@]1(C)CCCO1 ZINC000815580952 631799610 /nfs/dbraw/zinc/79/96/10/631799610.db2.gz UJVGDKWUNAIFAF-PBHICJAKSA-N 1 0 276.424 3.108 20 10 CGCDRO CO[C@@H]1CCC[C@@H]1C[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000815601059 631804478 /nfs/dbraw/zinc/80/44/78/631804478.db2.gz MNTZNUYTJQYVRI-IIAWOOMASA-N 1 0 277.408 3.475 20 10 CGCDRO COC(=O)C[C@H]1CCC[N@@H+]1Cc1ccc2ccccc2c1O ZINC000816515426 632000816 /nfs/dbraw/zinc/00/08/16/632000816.db2.gz ZBNGPJNYMSYJMY-OAHLLOKOSA-N 1 0 299.370 3.073 20 10 CGCDRO CCN(CC)C[C@@H](C)[NH2+]Cc1ccc2ccccc2c1O ZINC000816548816 632008815 /nfs/dbraw/zinc/00/88/15/632008815.db2.gz UETXHNNCBXGOGP-CQSZACIVSA-N 1 0 286.419 3.365 20 10 CGCDRO CCN(CC)C[C@H](C)[NH2+]Cc1ccc2ccccc2c1O ZINC000816548815 632009154 /nfs/dbraw/zinc/00/91/54/632009154.db2.gz UETXHNNCBXGOGP-AWEZNQCLSA-N 1 0 286.419 3.365 20 10 CGCDRO OCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc2ccccc2c1O ZINC000816575708 632015972 /nfs/dbraw/zinc/01/59/72/632015972.db2.gz WLPSXUMTYZUQCB-PBHICJAKSA-N 1 0 285.387 3.186 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CCCO[C@@H](C(C)C)C2)c(O)c1 ZINC000816674958 632042314 /nfs/dbraw/zinc/04/23/14/632042314.db2.gz PGRGYEWUUHERSD-QGZVFWFLSA-N 1 0 293.407 3.038 20 10 CGCDRO CC[C@H]([NH2+]CCC[NH2+]C)c1cc(Cl)cc(Cl)c1[O-] ZINC000817939225 632239191 /nfs/dbraw/zinc/23/91/91/632239191.db2.gz APZULOFUNZXOCG-LBPRGKRZSA-N 1 0 291.222 3.349 20 10 CGCDRO CC[C@@H]([NH2+]CCCNCc1cccnc1)c1ccccc1O ZINC000817941309 632240431 /nfs/dbraw/zinc/24/04/31/632240431.db2.gz RWONJMXENFTXRG-QGZVFWFLSA-N 1 0 299.418 3.008 20 10 CGCDRO C[C@@H](N[C@H]1CC[NH2+]C1)c1ccc(N2CCCCCC2)cc1 ZINC000817945149 632242442 /nfs/dbraw/zinc/24/24/42/632242442.db2.gz VTXOMYGDRHUGRX-WBVHZDCISA-N 1 0 287.451 3.080 20 10 CGCDRO CC[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cccc(Cl)c1[O-] ZINC000817946444 632243205 /nfs/dbraw/zinc/24/32/05/632243205.db2.gz XFESRLMFTWLPAN-FZMZJTMJSA-N 1 0 282.815 3.086 20 10 CGCDRO C[C@@H](NC[C@H]1CCC[NH2+]1)c1ccc(N2CCCCC2)cc1 ZINC000817951233 632248011 /nfs/dbraw/zinc/24/80/11/632248011.db2.gz CDPALDPDSNCTPN-NVXWUHKLSA-N 1 0 287.451 3.080 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H](N)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000817955094 632250263 /nfs/dbraw/zinc/25/02/63/632250263.db2.gz QCWVPTPARIIKHV-RDTXWAMCSA-N 1 0 283.419 3.103 20 10 CGCDRO COc1ccc(C)cc1[C@@H](C)[NH2+]CCc1ccc(N)cc1 ZINC000817956351 632251298 /nfs/dbraw/zinc/25/12/98/632251298.db2.gz XAUNIEDFSMOZFH-CQSZACIVSA-N 1 0 284.403 3.479 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H](CN)CC(C)C)c(O)c1C ZINC000817958971 632254899 /nfs/dbraw/zinc/25/48/99/632254899.db2.gz NVOPHVCXGIIONT-KBPBESRZSA-N 1 0 264.413 3.033 20 10 CGCDRO CCCC[C@H](CN)[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000817961654 632257618 /nfs/dbraw/zinc/25/76/18/632257618.db2.gz BVHDCIJFYXURSD-UONOGXRCSA-N 1 0 264.413 3.177 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1cccc(Cl)c1[O-] ZINC000817970120 632263193 /nfs/dbraw/zinc/26/31/93/632263193.db2.gz LVVOPJUGZYNNSZ-SUNKGSAMSA-N 1 0 282.815 3.356 20 10 CGCDRO CC[C@H]([NH3+])C[NH2+][C@@H](CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000817979565 632269808 /nfs/dbraw/zinc/26/98/08/632269808.db2.gz LWTVXWAKNVBQKD-CABZTGNLSA-N 1 0 291.222 3.477 20 10 CGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3C[C@H](C)[C@H]3C)C2)cc1 ZINC000818341678 632310549 /nfs/dbraw/zinc/31/05/49/632310549.db2.gz CQYNIADVMBKZKD-LUXYFRNMSA-N 1 0 288.435 3.156 20 10 CGCDRO C[C@H]([NH2+][C@H]1CC12CC2)c1cc2c(cc1O)CCCC2 ZINC000818357321 632314380 /nfs/dbraw/zinc/31/43/80/632314380.db2.gz ZFCBJVKGCNXULP-ZBEGNZNMSA-N 1 0 257.377 3.474 20 10 CGCDRO Nc1ccc(NC(=O)CC[C@@H]([NH3+])CC2CCCCC2)cc1 ZINC000818556475 632333755 /nfs/dbraw/zinc/33/37/55/632333755.db2.gz UEEGRFODQFPMPB-OAHLLOKOSA-N 1 0 289.423 3.285 20 10 CGCDRO COc1ccc(C[NH2+]C[C@@H]2C[C@H]2C2CCOCC2)cc1C ZINC000865785682 632890452 /nfs/dbraw/zinc/89/04/52/632890452.db2.gz YFPWSPZFFJJHGV-IRXDYDNUSA-N 1 0 289.419 3.156 20 10 CGCDRO C[C@H]([NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32)c1ccc(Cl)cc1O ZINC000866446921 633136729 /nfs/dbraw/zinc/13/67/29/633136729.db2.gz VJLSATWGGMORIT-XIDMARJMSA-N 1 0 293.794 3.120 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)c1ccnn1C)c1ccc(C)cc1O ZINC000866613336 633213458 /nfs/dbraw/zinc/21/34/58/633213458.db2.gz HLUXOJCXKYGJGO-OCCSQVGLSA-N 1 0 273.380 3.236 20 10 CGCDRO CC[C@H](C[C@@H](C)O)[NH2+][C@H](CC)c1ccc(N(C)C)cc1 ZINC000866634744 633223798 /nfs/dbraw/zinc/22/37/98/633223798.db2.gz IQACWFNHFIBCSQ-FRFSOERESA-N 1 0 278.440 3.343 20 10 CGCDRO CC[C@H](C[C@H](C)O)[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000866636162 633224810 /nfs/dbraw/zinc/22/48/10/633224810.db2.gz WYHJUGFVGGFIIP-LSCVPOLPSA-N 1 0 281.371 3.219 20 10 CGCDRO COc1cccc(C[NH2+][C@@H]2C[C@H](C)CC[C@H]2C)c1O ZINC000824383517 633239802 /nfs/dbraw/zinc/23/98/02/633239802.db2.gz OOHOKBXXKRAOLY-YRGRVCCFSA-N 1 0 263.381 3.315 20 10 CGCDRO CC(C)[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@@H](CO)C(C)C ZINC000824846442 633300079 /nfs/dbraw/zinc/30/00/79/633300079.db2.gz SCUWWWODVILDHE-ZWKOTPCHSA-N 1 0 292.467 3.131 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCSC[C@H]2C2CC2)c1O ZINC000824913945 633304634 /nfs/dbraw/zinc/30/46/34/633304634.db2.gz JQWFVKBRQYMUEP-AWEZNQCLSA-N 1 0 263.406 3.028 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CCSC[C@H]2C2CC2)c(O)c1 ZINC000824914338 633304949 /nfs/dbraw/zinc/30/49/49/633304949.db2.gz PTKSCHKCAILSBX-HNNXBMFYSA-N 1 0 293.432 3.118 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H](C3CC3)[C@@H]2C2CC2)cc1 ZINC000824942430 633308913 /nfs/dbraw/zinc/30/89/13/633308913.db2.gz ZUKZZVCTXNSUHH-ROUUACIJSA-N 1 0 270.420 3.373 20 10 CGCDRO CCOc1cccc(C[NH2+]C[C@@H]2C[C@H]2C(C)C)c1O ZINC000824976589 633313250 /nfs/dbraw/zinc/31/32/50/633313250.db2.gz CGWULJLZJRVOBZ-KBPBESRZSA-N 1 0 263.381 3.173 20 10 CGCDRO COc1cccc(C[NH2+]C2CCc3ccccc3CC2)c1O ZINC000825045745 633321631 /nfs/dbraw/zinc/32/16/31/633321631.db2.gz KOXZRUHVQSBOMA-UHFFFAOYSA-N 1 0 297.398 3.438 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+]CCC[C@H]2CCOC2)c1O ZINC000825145324 633332565 /nfs/dbraw/zinc/33/25/65/633332565.db2.gz ZGCKSOZHVQPDCP-LBPRGKRZSA-N 1 0 283.799 3.260 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCOC(C)(C)C)cc1Cl ZINC000825167398 633333520 /nfs/dbraw/zinc/33/35/20/633333520.db2.gz LBARAXFSPVJOOH-UHFFFAOYSA-N 1 0 271.788 3.259 20 10 CGCDRO Cc1ccc(CC[NH2+]Cc2cc(Cl)c(C)cc2O)cn1 ZINC000825283562 633341764 /nfs/dbraw/zinc/34/17/64/633341764.db2.gz NJGMNDGREXGVJF-UHFFFAOYSA-N 1 0 290.794 3.390 20 10 CGCDRO COc1cc(F)cc(C[C@H](C)[NH2+]Cc2ccccc2O)c1 ZINC000825326930 633346434 /nfs/dbraw/zinc/34/64/34/633346434.db2.gz PXRQCWPDCGNBJQ-LBPRGKRZSA-N 1 0 289.350 3.261 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2C[C@H](C)N(C3CC3)C2)cc1Cl ZINC000825354745 633348564 /nfs/dbraw/zinc/34/85/64/633348564.db2.gz YUTUYHJIHCMULX-WCQYABFASA-N 1 0 294.826 3.069 20 10 CGCDRO C[C@@H]1C[C@@H](C)[NH+]1Cc1ccc(Br)cc1O ZINC000825738558 633379403 /nfs/dbraw/zinc/37/94/03/633379403.db2.gz PRSLFANKNPWKPL-RKDXNWHRSA-N 1 0 270.170 3.137 20 10 CGCDRO CO[C@H]1CC[N@H+](Cc2cc(Cl)c(C)cc2O)[C@H](C)C1 ZINC000825774564 633381439 /nfs/dbraw/zinc/38/14/39/633381439.db2.gz YLMSKEOZJAZVSZ-YPMHNXCESA-N 1 0 283.799 3.353 20 10 CGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@H]3CC=C(C)CC3)C2)cc1 ZINC000826845080 633436933 /nfs/dbraw/zinc/43/69/33/633436933.db2.gz DXOWURMDSKBVIL-JKSUJKDBSA-N 1 0 286.419 3.362 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+]CCc2ccoc2)c1O ZINC000827229915 633472641 /nfs/dbraw/zinc/47/26/41/633472641.db2.gz OOYYPGHDQKIETF-UHFFFAOYSA-N 1 0 265.740 3.279 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](CCF)C2)cc1F ZINC000827272362 633477069 /nfs/dbraw/zinc/47/70/69/633477069.db2.gz ZVPWZIATJIISNA-CYBMUJFWSA-N 1 0 282.378 3.463 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CC2(CCOCC2)[C@H]1c1ccco1 ZINC000827494950 633495055 /nfs/dbraw/zinc/49/50/55/633495055.db2.gz QTJFLYWFTVFGKF-QGZVFWFLSA-N 1 0 299.370 3.339 20 10 CGCDRO COc1cccc(C[N@@H+]2CCC[C@@H](C3CCC3)C2)c1O ZINC000827627498 633504376 /nfs/dbraw/zinc/50/43/76/633504376.db2.gz UUQMVKJLZAEMEA-CQSZACIVSA-N 1 0 275.392 3.413 20 10 CGCDRO Oc1cccc(Cl)c1C[NH+]1CCC(c2ccon2)CC1 ZINC000827628915 633504517 /nfs/dbraw/zinc/50/45/17/633504517.db2.gz ATJJVRBEPZNBHI-UHFFFAOYSA-N 1 0 292.766 3.413 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCOC2(C)C)cc1Cl ZINC000827704352 633511368 /nfs/dbraw/zinc/51/13/68/633511368.db2.gz BRLOTDXYWNASQP-LBPRGKRZSA-N 1 0 283.799 3.259 20 10 CGCDRO COc1cccc(O)c1C[NH2+]CC[C@]1(C)C[C@]1(F)Cl ZINC000846032568 636132883 /nfs/dbraw/zinc/13/28/83/636132883.db2.gz FGLSQHZNNISJDB-ZIAGYGMSSA-N 1 0 287.762 3.195 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H](C)[C@](C)(O)c2ccccc2)c1O ZINC000846035459 636133440 /nfs/dbraw/zinc/13/34/40/636133440.db2.gz HWIOSMDKPICNFS-KSSFIOAISA-N 1 0 285.387 3.086 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](C)[C@](C)(O)c2ccccc2)cc1C ZINC000846038547 636134868 /nfs/dbraw/zinc/13/48/68/636134868.db2.gz MURUZVUNALLJPD-KXBFYZLASA-N 1 0 299.414 3.389 20 10 CGCDRO CC[N@H+](Cc1ccc(N2CCCCC2)c(C)c1)[C@@H](C)CO ZINC000830034347 633820810 /nfs/dbraw/zinc/82/08/10/633820810.db2.gz PKNJBRSGXMQZQB-INIZCTEOSA-N 1 0 290.451 3.188 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+][C@@H](C1CC1)C1CCOCC1)CC2 ZINC000846185924 636155352 /nfs/dbraw/zinc/15/53/52/636155352.db2.gz BHFRQPRWAJUQQP-QAPCUYQASA-N 1 0 287.403 3.174 20 10 CGCDRO CCn1nc(C)c(C[NH2+][C@@H]2CCc3cccc(O)c32)c1C ZINC000834559007 634182742 /nfs/dbraw/zinc/18/27/42/634182742.db2.gz VVEKUUGTFKCIFG-OAHLLOKOSA-N 1 0 285.391 3.003 20 10 CGCDRO COC1CCC(C[NH2+][C@@H]2CCc3cccc(O)c32)CC1 ZINC000834615354 634198380 /nfs/dbraw/zinc/19/83/80/634198380.db2.gz CZBQXUVZEFGGSA-PESDSKBTSA-N 1 0 275.392 3.174 20 10 CGCDRO Cc1noc(C)c1CCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834620143 634199224 /nfs/dbraw/zinc/19/92/24/634199224.db2.gz OAJPCVHFAJQRQB-HNNXBMFYSA-N 1 0 286.375 3.207 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1cncc(F)c1 ZINC000834761454 634237422 /nfs/dbraw/zinc/23/74/22/634237422.db2.gz QPJJVGWNHXEUGJ-IINYFYTJSA-N 1 0 272.323 3.264 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2CC=CCC2)cc1Cn1cccn1 ZINC000873055147 634238536 /nfs/dbraw/zinc/23/85/36/634238536.db2.gz DMHQPJPLUBRXED-KRWDZBQOSA-N 1 0 297.402 3.138 20 10 CGCDRO CN1CCCC(C)(C)[C@H]1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834787477 634242708 /nfs/dbraw/zinc/24/27/08/634242708.db2.gz MSIJBBCWGYEKSE-GOEBONIOSA-N 1 0 288.435 3.090 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2C)cc1C ZINC000873114686 634249011 /nfs/dbraw/zinc/24/90/11/634249011.db2.gz QAOACJIPJOQUHA-GOEBONIOSA-N 1 0 277.408 3.298 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCn2ccnc21)c1cc(Cl)ccc1O ZINC000834833422 634252015 /nfs/dbraw/zinc/25/20/15/634252015.db2.gz ZPUSWOHBCZGRGD-STQMWFEESA-N 1 0 291.782 3.428 20 10 CGCDRO CCCOc1ccc(C[NH2+]C2(CF)CCOCC2)cc1C ZINC000873131893 634253589 /nfs/dbraw/zinc/25/35/89/634253589.db2.gz ZCSLCZPMOJJRMA-UHFFFAOYSA-N 1 0 295.398 3.392 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2C[C@@H]3CCC[C@H]3O2)cc1C ZINC000873156520 634264113 /nfs/dbraw/zinc/26/41/13/634264113.db2.gz KTEQOBWIEVASGS-JLJPHGGASA-N 1 0 275.392 3.056 20 10 CGCDRO CC[C@](C)(C[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F)OC ZINC000834882195 634264872 /nfs/dbraw/zinc/26/48/72/634264872.db2.gz KZMUYPHVNSUJHK-KANYHAFZSA-N 1 0 281.371 3.484 20 10 CGCDRO CCn1ccnc1[C@@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000834894798 634272451 /nfs/dbraw/zinc/27/24/51/634272451.db2.gz MGRQFQFJBYZTRZ-NWDGAFQWSA-N 1 0 259.353 3.020 20 10 CGCDRO COc1cccc(C[NH2+]C2CC(Nc3ccccc3)C2)c1O ZINC000873190460 634278086 /nfs/dbraw/zinc/27/80/86/634278086.db2.gz GBEQGSTYFBCJCU-UHFFFAOYSA-N 1 0 298.386 3.134 20 10 CGCDRO C[C@@H]([NH2+]CC(C)(C)C1(O)CCCC1)c1ccccc1O ZINC000834905089 634281140 /nfs/dbraw/zinc/28/11/40/634281140.db2.gz FIRUTRZBHHAIAN-CYBMUJFWSA-N 1 0 277.408 3.374 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C2(C)CC(F)(F)C2)cc1F ZINC000873197538 634281977 /nfs/dbraw/zinc/28/19/77/634281977.db2.gz FIONISOODAZHOF-UHFFFAOYSA-N 1 0 272.314 3.169 20 10 CGCDRO Cc1ccc(CC[NH2+][C@@H](C)c2ccc(N(C)C)cc2)nc1 ZINC000834908441 634283066 /nfs/dbraw/zinc/28/30/66/634283066.db2.gz DWUUGDZBNKGQNQ-HNNXBMFYSA-N 1 0 283.419 3.349 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCC2CC(F)(F)C2)c1 ZINC000834908696 634284239 /nfs/dbraw/zinc/28/42/39/634284239.db2.gz LHXXRBSPWRTFMO-JTQLQIEISA-N 1 0 285.334 3.487 20 10 CGCDRO CCO[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000834909885 634284542 /nfs/dbraw/zinc/28/45/42/634284542.db2.gz BTFITQOXZZBOFN-KBRIMQKVSA-N 1 0 276.424 3.361 20 10 CGCDRO Cc1ccc(O)c(CNc2ccc([C@@H]3C[C@H]3[NH3+])cc2)c1 ZINC000873218144 634287640 /nfs/dbraw/zinc/28/76/40/634287640.db2.gz YQSVTYBVIJODCM-JKSUJKDBSA-N 1 0 268.360 3.127 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2cc(N)cc(F)c2)c1 ZINC000873288970 634321478 /nfs/dbraw/zinc/32/14/78/634321478.db2.gz NJAYMRKSEGLAJL-NSHDSACASA-N 1 0 274.339 3.273 20 10 CGCDRO CC[N@H+](C/C=C/c1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000835029651 634325656 /nfs/dbraw/zinc/32/56/56/634325656.db2.gz YLPRQWNCHOBMKZ-SUQGKYDKSA-N 1 0 288.435 3.267 20 10 CGCDRO CN(C)c1ccc(/C=C/C[N@H+](CCO)C2CCCC2)cc1 ZINC000835026474 634326225 /nfs/dbraw/zinc/32/62/25/634326225.db2.gz XMRPUORBTIFQFQ-AATRIKPKSA-N 1 0 288.435 3.003 20 10 CGCDRO C[C@H](C[NH2+]C/C=C/c1ccc(N(C)C)cc1)C1CC1 ZINC000835038062 634328412 /nfs/dbraw/zinc/32/84/12/634328412.db2.gz UFNYSTFEFCSSRD-ISZGNANSSA-N 1 0 258.409 3.402 20 10 CGCDRO CCC[C@H](CCO)C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835039638 634329888 /nfs/dbraw/zinc/32/98/88/634329888.db2.gz IFDZCVKYMKAGTF-XTKXOIQPSA-N 1 0 290.451 3.154 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H]2CSC2(C)C)cc1 ZINC000835049028 634335447 /nfs/dbraw/zinc/33/54/47/634335447.db2.gz DMZIQSKQYYGGOE-IYKSTZQJSA-N 1 0 276.449 3.249 20 10 CGCDRO CC[C@H]1C[N@H+](C/C=C\c2ccc(N(C)C)cc2)CCCO1 ZINC000835051264 634336710 /nfs/dbraw/zinc/33/67/10/634336710.db2.gz IUSUZJPHXLHHNM-YEODSOHDSA-N 1 0 288.435 3.267 20 10 CGCDRO COC[C@@]1(C)CC[N@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835053960 634338190 /nfs/dbraw/zinc/33/81/90/634338190.db2.gz GFJKGJXWXULCMR-XFHJGTJQSA-N 1 0 288.435 3.124 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+]CCC(C)(F)F)cc1 ZINC000835055249 634339096 /nfs/dbraw/zinc/33/90/96/634339096.db2.gz SHQHXVMTOHFUHW-PLNGDYQASA-N 1 0 268.351 3.401 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H](C(C)C)C2(CO)CCCC2)c1 ZINC000835066541 634344580 /nfs/dbraw/zinc/34/45/80/634344580.db2.gz RAPSLRAJAHBXEN-QGZVFWFLSA-N 1 0 291.435 3.368 20 10 CGCDRO CCOc1ccc(C[NH2+][C@@H](C2CC2)C2CCC2)c(O)c1 ZINC000835070095 634344644 /nfs/dbraw/zinc/34/46/44/634344644.db2.gz KTSHGOXCBXIIFH-QGZVFWFLSA-N 1 0 275.392 3.459 20 10 CGCDRO CC[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876633699 634872773 /nfs/dbraw/zinc/87/27/73/634872773.db2.gz WKAYBCZJWNDEIG-MRXNPFEDSA-N 1 0 288.435 3.022 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]Cc1ccc([C@@H](C)O)cc1 ZINC000876967086 634940260 /nfs/dbraw/zinc/94/02/60/634940260.db2.gz CIFURVCZYVSZAU-CYBMUJFWSA-N 1 0 271.360 3.044 20 10 CGCDRO CCN(C)c1ccccc1C[NH2+]Cc1c(C)cccc1O ZINC000877013670 634950486 /nfs/dbraw/zinc/95/04/86/634950486.db2.gz VIDHFUOOOOWYQU-UHFFFAOYSA-N 1 0 284.403 3.447 20 10 CGCDRO Cc1nc(C)c(CC[NH2+]Cc2c(C)cccc2O)s1 ZINC000877027614 634954344 /nfs/dbraw/zinc/95/43/44/634954344.db2.gz PEQFDSQPJISYLU-UHFFFAOYSA-N 1 0 276.405 3.106 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H](C)[C@H](O)c2ccc(F)cc2)c(O)c1 ZINC000877034616 634956941 /nfs/dbraw/zinc/95/69/41/634956941.db2.gz LKFQWLNHCAUCIZ-SJCJKPOMSA-N 1 0 289.350 3.051 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H](C)[C@@H](O)c2ccc(F)cc2)c(O)c1 ZINC000877034618 634956976 /nfs/dbraw/zinc/95/69/76/634956976.db2.gz LKFQWLNHCAUCIZ-YVEFUNNKSA-N 1 0 289.350 3.051 20 10 CGCDRO COc1ccc2c(c1)OCC[C@@H]2[NH2+]Cc1ccc(C)cc1O ZINC000877063752 634968164 /nfs/dbraw/zinc/96/81/64/634968164.db2.gz IYJOQCQCZGGGDI-INIZCTEOSA-N 1 0 299.370 3.323 20 10 CGCDRO Cc1ccc(C[NH2+]CCc2ccc(Cl)nc2)c(O)c1 ZINC000877085254 634979412 /nfs/dbraw/zinc/97/94/12/634979412.db2.gz MIYWRFPPOKEVAV-UHFFFAOYSA-N 1 0 276.767 3.081 20 10 CGCDRO Cc1ccc(C[NH2+]CC(C)(C)[C@H]2CCCCO2)c(O)c1 ZINC000877087427 634980232 /nfs/dbraw/zinc/98/02/32/634980232.db2.gz LPFUVBVXYZXZIL-MRXNPFEDSA-N 1 0 277.408 3.386 20 10 CGCDRO Cc1ccc(C[NH2+]C[C@H]2[C@@H]3c4ccccc4C[C@H]23)c(O)c1 ZINC000877089440 634981469 /nfs/dbraw/zinc/98/14/69/634981469.db2.gz PSQJDFHZCCGHIX-ZHALLVOQSA-N 1 0 279.383 3.376 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]CCC[C@H]1CCCC[C@H]1O ZINC000877098883 634984339 /nfs/dbraw/zinc/98/43/39/634984339.db2.gz WTLAHPHQWRZQJP-GDBMZVCRSA-N 1 0 277.408 3.122 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@H]1C1CCOCC1 ZINC000877139800 635000314 /nfs/dbraw/zinc/00/03/14/635000314.db2.gz AKZVPUONKNIBST-MRXNPFEDSA-N 1 0 275.392 3.092 20 10 CGCDRO Cc1ccncc1C[N@@H+](C)Cc1c(C)cccc1O ZINC000877492526 635059658 /nfs/dbraw/zinc/05/96/58/635059658.db2.gz YIWQELYRGHJKSV-UHFFFAOYSA-N 1 0 256.349 3.036 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CC[C@H]2CCCO2)c(Cl)c1 ZINC000840875232 635069910 /nfs/dbraw/zinc/06/99/10/635069910.db2.gz KKOHGBZNZYCQGS-LLVKDONJSA-N 1 0 269.772 3.013 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F)[C@H](O)C(C)C ZINC000840880890 635072460 /nfs/dbraw/zinc/07/24/60/635072460.db2.gz FOBQMNQERSGFSV-JCKZUZKGSA-N 1 0 295.398 3.465 20 10 CGCDRO Cc1cc(O)c(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000840881636 635072961 /nfs/dbraw/zinc/07/29/61/635072961.db2.gz PBOQHDHPKLGXIX-QWHCGFSZSA-N 1 0 294.826 3.070 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c(O)c1 ZINC000877529290 635073680 /nfs/dbraw/zinc/07/36/80/635073680.db2.gz YJJBGQDJHYYUOU-HZPDHXFCSA-N 1 0 289.419 3.339 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]C1CCSCC1 ZINC000840894399 635077212 /nfs/dbraw/zinc/07/72/12/635077212.db2.gz QYOCAGCRPPQRDZ-CQSZACIVSA-N 1 0 292.492 3.477 20 10 CGCDRO Cc1ccc(C[N@@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c(O)c1 ZINC000877539942 635079961 /nfs/dbraw/zinc/07/99/61/635079961.db2.gz QSWIDXMQQOUKQJ-HZPDHXFCSA-N 1 0 275.392 3.090 20 10 CGCDRO CCOC1CC[NH+](Cc2c(O)cc(C)cc2Cl)CC1 ZINC000840911060 635081564 /nfs/dbraw/zinc/08/15/64/635081564.db2.gz VSIBVZFUUWRQNN-UHFFFAOYSA-N 1 0 283.799 3.355 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000840919468 635083302 /nfs/dbraw/zinc/08/33/02/635083302.db2.gz GTMLNJBELJOWEI-WMZOPIPTSA-N 1 0 288.435 3.062 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000840935193 635085140 /nfs/dbraw/zinc/08/51/40/635085140.db2.gz HYFJIEJITNZLTD-RCCFBDPRSA-N 1 0 288.435 3.108 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@H](C)C[C@H]1[C@@H](C)O ZINC000840939762 635086620 /nfs/dbraw/zinc/08/66/20/635086620.db2.gz QDSGMNPEUCXHEA-JOQOYGCGSA-N 1 0 290.451 3.042 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000840939758 635087485 /nfs/dbraw/zinc/08/74/85/635087485.db2.gz QDSGMNPEUCXHEA-DHSIGJKJSA-N 1 0 290.451 3.042 20 10 CGCDRO CO[C@@]1(C)CCC[N@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000840940984 635088404 /nfs/dbraw/zinc/08/84/04/635088404.db2.gz LXHNKAMKOLCYAV-KRWDZBQOSA-N 1 0 276.424 3.062 20 10 CGCDRO CO[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2C)[C@@H](C)C1 ZINC000840942449 635088779 /nfs/dbraw/zinc/08/87/79/635088779.db2.gz ODDVUBOSLLOQLD-YOEHRIQHSA-N 1 0 276.424 3.060 20 10 CGCDRO CC[N@@H+](Cc1c(O)cc(C)cc1Cl)C[C@@H](C)OC ZINC000840948563 635089269 /nfs/dbraw/zinc/08/92/69/635089269.db2.gz VTYKEBZNENAIAG-LLVKDONJSA-N 1 0 271.788 3.211 20 10 CGCDRO COC1(C[NH2+]Cc2c(O)cc(C)cc2Cl)CCCC1 ZINC000840949048 635091086 /nfs/dbraw/zinc/09/10/86/635091086.db2.gz MKCLGHJOTXSRQA-UHFFFAOYSA-N 1 0 283.799 3.403 20 10 CGCDRO COc1cccc(O)c1C[NH2+]C[C@@H]1CCC[C@@H]1C1CC1 ZINC000840955312 635092523 /nfs/dbraw/zinc/09/25/23/635092523.db2.gz UJFCPXXYPQKANH-UONOGXRCSA-N 1 0 275.392 3.317 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1ccn(C)c1 ZINC000840977167 635098990 /nfs/dbraw/zinc/09/89/90/635098990.db2.gz TXLMXIVSDCVELF-OAHLLOKOSA-N 1 0 285.435 3.120 20 10 CGCDRO Cc1ccc(C[C@H](CO)[NH2+]Cc2c(C)cccc2O)cc1C ZINC000877579667 635100248 /nfs/dbraw/zinc/10/02/48/635100248.db2.gz XREGNHPUFKSENA-QGZVFWFLSA-N 1 0 299.414 3.011 20 10 CGCDRO CCOc1ccc(CNc2ccc([C@H](C)[NH3+])cc2)c(O)c1 ZINC000841027671 635108025 /nfs/dbraw/zinc/10/80/25/635108025.db2.gz DZUPVDZFWQEPIH-LBPRGKRZSA-N 1 0 286.375 3.423 20 10 CGCDRO Nc1ccc(CC[NH2+]C[C@@H]2C[C@H]2c2ccccc2)cc1 ZINC000841038758 635112526 /nfs/dbraw/zinc/11/25/26/635112526.db2.gz PQJTWXWMDWIMIA-WMZOPIPTSA-N 1 0 266.388 3.205 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)c(O)c1 ZINC000877615663 635113653 /nfs/dbraw/zinc/11/36/53/635113653.db2.gz WQCQCMTYEWVZMM-CQSZACIVSA-N 1 0 267.319 3.322 20 10 CGCDRO Cc1ccc(C[NH2+][C@H]2C[C@H](OC(C)(C)C)C2)c(O)c1 ZINC000877618566 635116107 /nfs/dbraw/zinc/11/61/07/635116107.db2.gz ZDQLJLWCUXMWSE-HDJSIYSDSA-N 1 0 263.381 3.136 20 10 CGCDRO C[C@@H]1CN(Cc2cc(F)ccc2O)c2ccccc2C[NH2+]1 ZINC000841091101 635120930 /nfs/dbraw/zinc/12/09/30/635120930.db2.gz XPZDVGVMZNXMKK-GFCCVEGCSA-N 1 0 286.350 3.030 20 10 CGCDRO Cc1ccc(C[NH2+]CC[C@]2(C)CC2(F)F)c(O)c1 ZINC000877630077 635121517 /nfs/dbraw/zinc/12/15/17/635121517.db2.gz FHWSRWQAZPZTET-CYBMUJFWSA-N 1 0 255.308 3.226 20 10 CGCDRO CSC1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000877663746 635137592 /nfs/dbraw/zinc/13/75/92/635137592.db2.gz YJCJMKJWRHGVOM-UHFFFAOYSA-N 1 0 264.438 3.080 20 10 CGCDRO COc1cccc(C[C@H](C)[NH2+][C@H](C)c2ccccc2O)n1 ZINC000877755960 635184708 /nfs/dbraw/zinc/18/47/08/635184708.db2.gz UWJLXRZQMZACKY-QWHCGFSZSA-N 1 0 286.375 3.078 20 10 CGCDRO Cc1ccc(CCC[NH2+][C@@H](C)c2ccccc2O)cn1 ZINC000877757407 635185421 /nfs/dbraw/zinc/18/54/21/635185421.db2.gz YGIUHIHNNMYNBM-AWEZNQCLSA-N 1 0 270.376 3.379 20 10 CGCDRO Cc1cccc(O)c1C[NH2+][C@H](C)c1ccccc1O ZINC000877756013 635186322 /nfs/dbraw/zinc/18/63/22/635186322.db2.gz YQEKQVKXDFXWAU-GFCCVEGCSA-N 1 0 257.333 3.257 20 10 CGCDRO CCN(CC)C[C@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841747130 635223666 /nfs/dbraw/zinc/22/36/66/635223666.db2.gz ODUUMQKBLMWJMG-NWDGAFQWSA-N 1 0 284.831 3.427 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1ccc(Cl)cc1O ZINC000841748182 635224248 /nfs/dbraw/zinc/22/42/48/635224248.db2.gz IHFRHMQYLBBWDF-NOZJJQNGSA-N 1 0 291.782 3.497 20 10 CGCDRO C/C=C\C[C@H](CO)[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841752369 635225410 /nfs/dbraw/zinc/22/54/10/635225410.db2.gz ORWKAUROCFYBPL-YZKQYGISSA-N 1 0 269.772 3.023 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1CCC=CO1)c1ccc(Cl)cc1O ZINC000841753765 635227383 /nfs/dbraw/zinc/22/73/83/635227383.db2.gz VTPFLPCJAWJEKJ-ZYHUDNBSSA-N 1 0 267.756 3.389 20 10 CGCDRO COC[C@H]([NH2+][C@H](C)c1ccc(Cl)cc1O)C(C)C ZINC000841755885 635230006 /nfs/dbraw/zinc/23/00/06/635230006.db2.gz SAHMTQKRIWVUEE-MFKMUULPSA-N 1 0 271.788 3.367 20 10 CGCDRO COC[C@@H]([NH2+][C@H](C)c1ccc(Cl)cc1O)C(C)C ZINC000841755886 635230187 /nfs/dbraw/zinc/23/01/87/635230187.db2.gz SAHMTQKRIWVUEE-ZWNOBZJWSA-N 1 0 271.788 3.367 20 10 CGCDRO C[C@@H]([NH2+]CC1=CCOCC1)c1ccc(Cl)cc1O ZINC000841759019 635231084 /nfs/dbraw/zinc/23/10/84/635231084.db2.gz WYYRIDRLVXGUID-SNVBAGLBSA-N 1 0 267.756 3.043 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1O)[C@@H](O)C(F)F ZINC000841758976 635231858 /nfs/dbraw/zinc/23/18/58/635231858.db2.gz WIYIDZPNDJRIFV-VIRWGQHYSA-N 1 0 293.741 3.101 20 10 CGCDRO CC[C@H](C)[C@H](O)C[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841758376 635231906 /nfs/dbraw/zinc/23/19/06/635231906.db2.gz GSVZJOXLTTUXHR-PKFCDNJMSA-N 1 0 271.788 3.103 20 10 CGCDRO CC[N@H+](CCSC)Cc1c(O)ccc2ccncc21 ZINC000842644821 635424684 /nfs/dbraw/zinc/42/46/84/635424684.db2.gz RSNMZELFMIEISK-UHFFFAOYSA-N 1 0 276.405 3.125 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@H+]2C[C@H](C)OC3(CCC3)C2)c1 ZINC000842645681 635425516 /nfs/dbraw/zinc/42/55/16/635425516.db2.gz YJOMTLOBFNQQQI-AWEZNQCLSA-N 1 0 275.392 3.152 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H](CCO)c2ccccc2F)c1 ZINC000842762372 635463929 /nfs/dbraw/zinc/46/39/29/635463929.db2.gz DYCOJLGQIAFCFE-MRXNPFEDSA-N 1 0 289.350 3.053 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCC3(CCC3)O2)c1 ZINC000878360974 635474260 /nfs/dbraw/zinc/47/42/60/635474260.db2.gz USCAHEMUWARSKU-JSGCOSHPSA-N 1 0 291.391 3.153 20 10 CGCDRO CC[C@H](C)C[C@H](CO)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000842913273 635511105 /nfs/dbraw/zinc/51/11/05/635511105.db2.gz AZRWTGHOMYNILR-OFQRWUPVSA-N 1 0 278.440 3.200 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CO[C@H](C)C1)c1cc2c(cc1O)CCCC2 ZINC000842929772 635514634 /nfs/dbraw/zinc/51/46/34/635514634.db2.gz UOWILKYWXXFKSC-LALPHHSUSA-N 1 0 275.392 3.099 20 10 CGCDRO Cc1cc(Cl)cc(CN2CCCC[C@H]2[C@@H](C)[NH3+])c1O ZINC000843046472 635549082 /nfs/dbraw/zinc/54/90/82/635549082.db2.gz WTJBBYZBYUKXLZ-RISCZKNCSA-N 1 0 282.815 3.056 20 10 CGCDRO Cc1cc(C[N@@H+]2CCC[C@@H]2c2cn[nH]c2)ccc1N(C)C ZINC000878876473 635648670 /nfs/dbraw/zinc/64/86/70/635648670.db2.gz NPZKGHHCJAXKFH-QGZVFWFLSA-N 1 0 284.407 3.121 20 10 CGCDRO CC[C@@H](C)C[C@@H](CO)[NH2+]Cc1ccc2ccccc2c1O ZINC000843427937 635671431 /nfs/dbraw/zinc/67/14/31/635671431.db2.gz WUYCROFCSWIKKF-CJNGLKHVSA-N 1 0 287.403 3.432 20 10 CGCDRO COc1cc(O)c(C[NH2+]CC2CCC(F)CC2)cc1OC ZINC000843432183 635674675 /nfs/dbraw/zinc/67/46/75/635674675.db2.gz IUKKQGHSRRMOAB-UHFFFAOYSA-N 1 0 297.370 3.027 20 10 CGCDRO Cc1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000879649083 635826323 /nfs/dbraw/zinc/82/63/23/635826323.db2.gz LNEDKSSORXCAPZ-KGLIPLIRSA-N 1 0 298.386 3.378 20 10 CGCDRO C[C@H]([NH2+]CCCc1ccncc1)c1ccccc1O ZINC000879650642 635826685 /nfs/dbraw/zinc/82/66/85/635826685.db2.gz LETVETXETIQCGT-ZDUSSCGKSA-N 1 0 256.349 3.071 20 10 CGCDRO Cc1ccc(C)c(NC(=O)C[NH2+][C@H](C)c2ccccc2O)c1 ZINC000879648755 635826877 /nfs/dbraw/zinc/82/68/77/635826877.db2.gz CNZNBAVDGUQMFG-CQSZACIVSA-N 1 0 298.386 3.298 20 10 CGCDRO Cc1ccc(C)c(NC(=O)C[NH2+][C@@H](C)c2ccccc2O)c1 ZINC000879651593 635828572 /nfs/dbraw/zinc/82/85/72/635828572.db2.gz CNZNBAVDGUQMFG-AWEZNQCLSA-N 1 0 298.386 3.298 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2C[C@H](C)OCC23CCC3)cc1 ZINC000844420989 635895987 /nfs/dbraw/zinc/89/59/87/635895987.db2.gz FLYALFOPUDKVCP-HNNXBMFYSA-N 1 0 288.435 3.286 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CNc3ccccc3C2)c(O)c1 ZINC000844919550 635983058 /nfs/dbraw/zinc/98/30/58/635983058.db2.gz FSGVORXWTKMMPI-UKRRQHHQSA-N 1 0 282.387 3.388 20 10 CGCDRO COC[C@H](CC(C)(C)C)[NH2+][C@@H](C)c1ccccc1O ZINC000845988872 636126725 /nfs/dbraw/zinc/12/67/25/636126725.db2.gz BOFMJKLQCXEXNF-STQMWFEESA-N 1 0 265.397 3.494 20 10 CGCDRO Cc1cc(Cl)cc(C[NH+]2CCC(C3(O)CC3)CC2)c1O ZINC000846008792 636128599 /nfs/dbraw/zinc/12/85/99/636128599.db2.gz QCMGFKZPDHORLT-UHFFFAOYSA-N 1 0 295.810 3.091 20 10 CGCDRO CCn1cc(C[N@H+](Cc2cc(C)ccc2O)C(C)C)cn1 ZINC000846056689 636139735 /nfs/dbraw/zinc/13/97/35/636139735.db2.gz XHVLPCYXTXXQDU-UHFFFAOYSA-N 1 0 287.407 3.328 20 10 CGCDRO CC(C)n1cncc1C[NH2+]Cc1cc(Cl)ccc1O ZINC000846056682 636140085 /nfs/dbraw/zinc/14/00/85/636140085.db2.gz WUZDWCXCLOQQQR-UHFFFAOYSA-N 1 0 279.771 3.113 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CCC2(CO)CCC2)cc1 ZINC000846103127 636142873 /nfs/dbraw/zinc/14/28/73/636142873.db2.gz NCEIKQMROCJHOE-UHFFFAOYSA-N 1 0 290.451 3.175 20 10 CGCDRO Oc1c(C[N@@H+]2CCC[C@@H](F)C2)ccc2ccccc21 ZINC000846121310 636148205 /nfs/dbraw/zinc/14/82/05/636148205.db2.gz XSGMTOBSSBTPBG-CQSZACIVSA-N 1 0 259.324 3.479 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]CCc2cccc(F)c2)c1O ZINC000846136583 636148866 /nfs/dbraw/zinc/14/88/66/636148866.db2.gz LXOMCZNWJGCXBM-GFCCVEGCSA-N 1 0 289.350 3.433 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]Cc2ccccc2F)c1O ZINC000846137419 636148944 /nfs/dbraw/zinc/14/89/44/636148944.db2.gz PHFIBRCOWBRUOB-LLVKDONJSA-N 1 0 275.323 3.391 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H]2Cc3ccccc3O2)c1O ZINC000846137137 636148975 /nfs/dbraw/zinc/14/89/75/636148975.db2.gz ABGFECBAHHOFRH-OCCSQVGLSA-N 1 0 299.370 3.055 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@H]2CC[C@@H](SC)C2)c1O ZINC000846148666 636150018 /nfs/dbraw/zinc/15/00/18/636150018.db2.gz SWHOTEHMNOHEPG-SDDRHHMPSA-N 1 0 281.421 3.336 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)c1cccc(OC)c1O)[C@@H]1CCCO1 ZINC000846155628 636150286 /nfs/dbraw/zinc/15/02/86/636150286.db2.gz APFRVJITWKOAIB-UBHSHLNASA-N 1 0 279.380 3.009 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]CC2(C(C)C)CC2)c1O ZINC000846152680 636150319 /nfs/dbraw/zinc/15/03/19/636150319.db2.gz BVTKLYAAYRHDHX-LBPRGKRZSA-N 1 0 263.381 3.488 20 10 CGCDRO CC[C@@H]1C[C@@H]([NH2+][C@H](C)c2cccc(OC)c2O)CCO1 ZINC000846175176 636153793 /nfs/dbraw/zinc/15/37/93/636153793.db2.gz XNZWOGCBSVNOBB-FRRDWIJNSA-N 1 0 279.380 3.009 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]Cc2cc(C)nc(C)c2)c1O ZINC000846175442 636153994 /nfs/dbraw/zinc/15/39/94/636153994.db2.gz ZHXPNUOIGSUHIG-CYBMUJFWSA-N 1 0 286.375 3.263 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@](C)(O)C2)cc1F ZINC000129468543 636266015 /nfs/dbraw/zinc/26/60/15/636266015.db2.gz LJHGLTRBEALARS-QGZVFWFLSA-N 1 0 294.414 3.019 20 10 CGCDRO CCCC[NH+]1CCC([NH2+]Cc2cc(F)cc(F)c2[O-])CC1 ZINC000882935764 636469214 /nfs/dbraw/zinc/46/92/14/636469214.db2.gz CPMRJNDCBCWHJJ-UHFFFAOYSA-N 1 0 298.377 3.025 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)[C@@H]2CCSC2)cc1 ZINC000130626437 636485747 /nfs/dbraw/zinc/48/57/47/636485747.db2.gz GUTDWLHFDUNIRA-MRXNPFEDSA-N 1 0 278.465 3.470 20 10 CGCDRO CCC[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000131071605 636551183 /nfs/dbraw/zinc/55/11/83/636551183.db2.gz FCABHPXVKWBDDV-HUUCEWRRSA-N 1 0 276.424 3.362 20 10 CGCDRO c1cc(C[NH2+][C@H](C2CC2)[C@H]2CCCCO2)cc2c1OCC2 ZINC000848559157 636605607 /nfs/dbraw/zinc/60/56/07/636605607.db2.gz BBYNQVRKBMZVBQ-QZTJIDSGSA-N 1 0 287.403 3.059 20 10 CGCDRO C[C@H](C[NH2+][C@H](C)c1ccccc1O)C(=O)OC(C)(C)C ZINC000848563769 636607600 /nfs/dbraw/zinc/60/76/00/636607600.db2.gz XFBBQRNMVXOVPM-VXGBXAGGSA-N 1 0 279.380 3.021 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2C[C@H](OC(C)(C)C)C2)c1 ZINC000848565244 636608303 /nfs/dbraw/zinc/60/83/03/636608303.db2.gz GMNYYHDODARYAI-OBJOEFQTSA-N 1 0 293.407 3.398 20 10 CGCDRO C[C@@H]([NH2+][C@H]1C[C@H](OC(C)(C)C)C1)c1ccccc1O ZINC000848565568 636608711 /nfs/dbraw/zinc/60/87/11/636608711.db2.gz KADOKLRGILUONP-JHJVBQTASA-N 1 0 263.381 3.389 20 10 CGCDRO CC(C)[C@H](C[NH2+]Cc1ccccc1O)C(=O)OC(C)(C)C ZINC000848566200 636609616 /nfs/dbraw/zinc/60/96/16/636609616.db2.gz SDFYOZVNXJVMJU-AWEZNQCLSA-N 1 0 293.407 3.096 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCCN2CCCC[C@H]12)c1cc(F)ccc1O ZINC000848568213 636610641 /nfs/dbraw/zinc/61/06/41/636610641.db2.gz BMLXIJRBMHNATB-VBNZEHGJSA-N 1 0 292.398 3.199 20 10 CGCDRO CC[C@@H]([NH2+]CCc1ccns1)c1ccc(C)cc1O ZINC000883247803 636617427 /nfs/dbraw/zinc/61/74/27/636617427.db2.gz XCZKWWQUXQDIOG-CQSZACIVSA-N 1 0 276.405 3.441 20 10 CGCDRO CCC1(CC)[C@@H]([NH2+]Cc2cccc(OC)c2O)C[C@@H]1OC ZINC000131429553 636653386 /nfs/dbraw/zinc/65/33/86/636653386.db2.gz LDWICUGHPBWARN-GJZGRUSLSA-N 1 0 293.407 3.084 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2ccc(N(C)C)cc2)c(Cl)n1 ZINC000883291702 636654203 /nfs/dbraw/zinc/65/42/03/636654203.db2.gz OYDAKXWVSOEYOC-UHFFFAOYSA-N 1 0 289.810 3.399 20 10 CGCDRO CCc1cccc(C[NH+]2CCC(c3c[nH]cn3)CC2)c1O ZINC000848887275 636674733 /nfs/dbraw/zinc/67/47/33/636674733.db2.gz RVZOPAFPZKEFPE-UHFFFAOYSA-N 1 0 285.391 3.057 20 10 CGCDRO CCc1cccc(C[NH2+]Cc2ccc(N(C)C)cc2)c1O ZINC000848893033 636678927 /nfs/dbraw/zinc/67/89/27/636678927.db2.gz NRUCJJJPMAEPSE-UHFFFAOYSA-N 1 0 284.403 3.310 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H]2CCc3c2cccc3O)c1O ZINC000848894654 636679199 /nfs/dbraw/zinc/67/91/99/636679199.db2.gz FZNIRSUTCLPJOW-MRXNPFEDSA-N 1 0 283.371 3.437 20 10 CGCDRO CCc1cccc(C[NH2+][C@H](CCO)c2ccccc2)c1O ZINC000848897173 636679598 /nfs/dbraw/zinc/67/95/98/636679598.db2.gz NPULDUQPLKTRIN-QGZVFWFLSA-N 1 0 285.387 3.168 20 10 CGCDRO CCc1cccc(C[NH2+]Cc2ccc(OC)cc2F)c1O ZINC000848898269 636680973 /nfs/dbraw/zinc/68/09/73/636680973.db2.gz SBINJHXCZIXJRU-UHFFFAOYSA-N 1 0 289.350 3.392 20 10 CGCDRO CCc1cccc(C[N@H+](CCO)Cc2ccc(C)cc2)c1O ZINC000848901826 636682914 /nfs/dbraw/zinc/68/29/14/636682914.db2.gz DJRNPOGAYVVZFT-UHFFFAOYSA-N 1 0 299.414 3.258 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCC[C@H](COC)CC2)c1O ZINC000848915739 636689770 /nfs/dbraw/zinc/68/97/70/636689770.db2.gz ZLKYGHBDNMDENC-AWEZNQCLSA-N 1 0 277.408 3.203 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@H]2CCC3(CCC3)O2)c1O ZINC000883357296 636699103 /nfs/dbraw/zinc/69/91/03/636699103.db2.gz ISGCLYNNIJPOQO-QWHCGFSZSA-N 1 0 291.391 3.153 20 10 CGCDRO C[C@H]([NH2+]C1CCC2(COC2)CC1)c1ccccc1O ZINC000883379707 636721530 /nfs/dbraw/zinc/72/15/30/636721530.db2.gz KWRICEQNPMCZCX-LBPRGKRZSA-N 1 0 261.365 3.002 20 10 CGCDRO CCOc1ccc(C[NH2+][C@H]2CCc3cc(N)ccc32)c(O)c1 ZINC000849352254 636817763 /nfs/dbraw/zinc/81/77/63/636817763.db2.gz JPKICRLHNZRYSQ-KRWDZBQOSA-N 1 0 298.386 3.150 20 10 CGCDRO COc1ccc(O)c(C[N@H+](C)[C@@H]2CCC[C@@H](C)C2)c1 ZINC000132739868 636833860 /nfs/dbraw/zinc/83/38/60/636833860.db2.gz DUIWVBZFTIWKBB-TZMCWYRMSA-N 1 0 263.381 3.411 20 10 CGCDRO CC[C@@H](COCC1CC1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC000850349709 637022685 /nfs/dbraw/zinc/02/26/85/637022685.db2.gz JAVVMCFDADUONN-INIZCTEOSA-N 1 0 277.408 3.298 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCN(C(C)(C)C)C2)c(Cl)c1 ZINC000850351226 637023357 /nfs/dbraw/zinc/02/33/57/637023357.db2.gz LMVRYYBICUGIKK-GFCCVEGCSA-N 1 0 296.842 3.316 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]CCCOC(C)(C)C)c1 ZINC000850370203 637034059 /nfs/dbraw/zinc/03/40/59/637034059.db2.gz NXCXSTSRAXIOOD-UHFFFAOYSA-N 1 0 281.396 3.086 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H]2C[C@H](O)c3ccccc32)c1O ZINC000850371411 637034484 /nfs/dbraw/zinc/03/44/84/637034484.db2.gz JFXXHRRDLKXIKU-CVEARBPZSA-N 1 0 299.370 3.059 20 10 CGCDRO COCc1csc(C[NH2+]Cc2cc(C)ccc2O)c1 ZINC000850377463 637038269 /nfs/dbraw/zinc/03/82/69/637038269.db2.gz IJPCBMYBHAJXQV-UHFFFAOYSA-N 1 0 277.389 3.198 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)cc1C ZINC000884483080 637041154 /nfs/dbraw/zinc/04/11/54/637041154.db2.gz NCYFWBMKODJSRO-YOEHRIQHSA-N 1 0 275.392 3.010 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCc3ccc(O)cc32)cc1C ZINC000850387630 637042920 /nfs/dbraw/zinc/04/29/20/637042920.db2.gz WSKVNQOLWHICBG-KRWDZBQOSA-N 1 0 283.371 3.492 20 10 CGCDRO CC(C)[C@@H](O)[C@@H]([NH2+]Cc1ccccc1O)c1ccccc1 ZINC000850394871 637046566 /nfs/dbraw/zinc/04/65/66/637046566.db2.gz HEZRCAKKVWQOFP-ZWKOTPCHSA-N 1 0 285.387 3.240 20 10 CGCDRO CCOc1ccc(C[NH2+]C[C@@H](OC)C2CCCC2)c(O)c1 ZINC000850400801 637048318 /nfs/dbraw/zinc/04/83/18/637048318.db2.gz OFVDOAQOWYFDOH-QGZVFWFLSA-N 1 0 293.407 3.086 20 10 CGCDRO COc1cccc(C[NH2+]C[C@H](OC)C2CCCCC2)c1O ZINC000850408053 637051768 /nfs/dbraw/zinc/05/17/68/637051768.db2.gz WQKFPFVLBKNBSQ-INIZCTEOSA-N 1 0 293.407 3.086 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](c2ccccc2)[C@H](C)O)cc1C ZINC000850419645 637054774 /nfs/dbraw/zinc/05/47/74/637054774.db2.gz GIJIELWPVYTZRO-KBXCAEBGSA-N 1 0 285.387 3.215 20 10 CGCDRO COc1ccc(C[NH2+][C@H](c2ccccc2)[C@@H](C)O)cc1C ZINC000850419647 637055249 /nfs/dbraw/zinc/05/52/49/637055249.db2.gz GIJIELWPVYTZRO-KDOFPFPSSA-N 1 0 285.387 3.215 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCC23CC3)cc1F ZINC000850431225 637058632 /nfs/dbraw/zinc/05/86/32/637058632.db2.gz UTERURGWRFFTND-OAHLLOKOSA-N 1 0 262.372 3.314 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)CSCCF ZINC000850435382 637061320 /nfs/dbraw/zinc/06/13/20/637061320.db2.gz MZUWBCDFJWXELU-CYBMUJFWSA-N 1 0 284.444 3.242 20 10 CGCDRO CC[C@@H]([NH2+][C@H]1COC(C)(C)C1)c1ccc(N(C)C)cc1 ZINC000850482037 637086132 /nfs/dbraw/zinc/08/61/32/637086132.db2.gz MGHHGELMHHIHRF-GDBMZVCRSA-N 1 0 276.424 3.361 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2COC(C)(C)C2)c(O)c1C ZINC000850482678 637086918 /nfs/dbraw/zinc/08/69/18/637086918.db2.gz QUTKYXUJDPCWOD-QWHCGFSZSA-N 1 0 263.381 3.227 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CCC[C@H]4C[C@H]43)C2)cc1 ZINC000850485864 637087211 /nfs/dbraw/zinc/08/72/11/637087211.db2.gz BVFSMYMDGTWVST-LBTBCDHLSA-N 1 0 286.419 3.052 20 10 CGCDRO CCCC[C@@H](C)[NH2+][C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850489396 637088756 /nfs/dbraw/zinc/08/87/56/637088756.db2.gz SXUCOZRSPDGUNF-CABCVRRESA-N 1 0 276.424 3.442 20 10 CGCDRO CC[C@H](COCC1CC1)[NH2+][C@H](C)c1cccc(OC)c1O ZINC000850495159 637090960 /nfs/dbraw/zinc/09/09/60/637090960.db2.gz XMFKWEKYJMXQNM-TZMCWYRMSA-N 1 0 293.407 3.257 20 10 CGCDRO Oc1ccccc1C[NH2+]Cc1cccc(Cl)c1F ZINC000135236987 637097777 /nfs/dbraw/zinc/09/77/77/637097777.db2.gz MAGYUISWBUGFCS-UHFFFAOYSA-N 1 0 265.715 3.475 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCO[C@H]2CC2(F)F)cc1 ZINC000850520135 637100463 /nfs/dbraw/zinc/10/04/63/637100463.db2.gz WXHZYDHMSNTNIK-WFASDCNBSA-N 1 0 298.377 3.218 20 10 CGCDRO CC[C@H]([NH2+]CCO[C@@H]1CC1(F)F)c1ccc(C)cc1O ZINC000850521416 637100775 /nfs/dbraw/zinc/10/07/75/637100775.db2.gz VGKDZJDSDVJJOV-GXTWGEPZSA-N 1 0 285.334 3.166 20 10 CGCDRO CC(C)C[C@@H](CO)[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000850522797 637101304 /nfs/dbraw/zinc/10/13/04/637101304.db2.gz MGKGREKWLHSCHM-GMXVVIOVSA-N 1 0 281.371 3.076 20 10 CGCDRO C[C@H]([NH2+][C@@H]1C[C@@H](O)c2ccccc21)c1cc(F)ccc1O ZINC000850528864 637107862 /nfs/dbraw/zinc/10/78/62/637107862.db2.gz NQIAFDKMVMBEFW-UDTVLSCZSA-N 1 0 287.334 3.360 20 10 CGCDRO C[C@@H]([NH2+]Cc1c(C2CC2)cnn1C)c1ccc(N(C)C)cc1 ZINC000850534250 637110600 /nfs/dbraw/zinc/11/06/00/637110600.db2.gz HVUUZEXDIXEWFV-CYBMUJFWSA-N 1 0 298.434 3.214 20 10 CGCDRO C[C@H]([NH2+][C@@H]1C[C@@H](O)C12CCC2)c1ccc2ccccc2c1O ZINC000850545144 637115675 /nfs/dbraw/zinc/11/56/75/637115675.db2.gz FDQBMFFSSOYALB-JCURWCKSSA-N 1 0 297.398 3.500 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCc2ccc(O)cc21)c1ccccc1O ZINC000850543584 637115811 /nfs/dbraw/zinc/11/58/11/637115811.db2.gz MQFNKYXJDLIQAI-BDJLRTHQSA-N 1 0 269.344 3.436 20 10 CGCDRO C[C@H]([NH2+][C@@H]1C[C@H](O)C12CCC2)c1ccc2ccccc2c1O ZINC000850545146 637116074 /nfs/dbraw/zinc/11/60/74/637116074.db2.gz FDQBMFFSSOYALB-VUCTXSBTSA-N 1 0 297.398 3.500 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2C(C)(C)C2(F)F)c1 ZINC000850553534 637118455 /nfs/dbraw/zinc/11/84/55/637118455.db2.gz YHGRTYQVLIYPNN-ZANVPECISA-N 1 0 285.334 3.343 20 10 CGCDRO CCCN1CC[C@@H]([NH2+][C@H](CC)c2ccc(N(C)C)cc2)C1 ZINC000850553692 637119006 /nfs/dbraw/zinc/11/90/06/637119006.db2.gz ATRGIWCWICTAGV-SJLPKXTDSA-N 1 0 289.467 3.278 20 10 CGCDRO CCCN1CC[C@@H]([NH2+][C@H](C)c2ccc(N(C)CC)cc2)C1 ZINC000850556128 637120018 /nfs/dbraw/zinc/12/00/18/637120018.db2.gz QYNAHGLWWTZJCE-NVXWUHKLSA-N 1 0 289.467 3.278 20 10 CGCDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850567141 637127161 /nfs/dbraw/zinc/12/71/61/637127161.db2.gz XHEHRXNFCZWVDM-HUUCEWRRSA-N 1 0 290.451 3.172 20 10 CGCDRO Clc1ccc(C[NH2+]CCCSc2nccs2)nc1 ZINC000885992381 637344890 /nfs/dbraw/zinc/34/48/90/637344890.db2.gz GMLJRPVRLUEKJG-UHFFFAOYSA-N 1 0 299.852 3.464 20 10 CGCDRO CO[C@H]1CCC[C@H]([NH2+][C@@H](C)c2ccccc2O)CC1 ZINC000886186051 637452039 /nfs/dbraw/zinc/45/20/39/637452039.db2.gz OTQIUEWFIKFPDE-IHRRRGAJSA-N 1 0 263.381 3.391 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]C[C@H]1CC2(CCC2)CO1 ZINC000886288565 637485459 /nfs/dbraw/zinc/48/54/59/637485459.db2.gz BSAKCCIPSKHZEW-LLVKDONJSA-N 1 0 281.783 3.094 20 10 CGCDRO CCC[N@H+](Cc1ccccc1O)[C@H]1CC[C@H](OC)C1 ZINC000851793046 637505518 /nfs/dbraw/zinc/50/55/18/637505518.db2.gz VUIGTHLCOAMFET-GJZGRUSLSA-N 1 0 263.381 3.172 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CC3(CCC3)CO2)c1 ZINC000886701980 637664168 /nfs/dbraw/zinc/66/41/68/637664168.db2.gz YHWRGJYZTIVJEW-UONOGXRCSA-N 1 0 275.392 3.310 20 10 CGCDRO CO[C@H](CN1CCCc2cc(C[NH3+])ccc21)C1CCCC1 ZINC000852741666 637702851 /nfs/dbraw/zinc/70/28/51/637702851.db2.gz YZAGMMOSBZXUBH-GOSISDBHSA-N 1 0 288.435 3.103 20 10 CGCDRO C[N@H+](Cc1ccccc1O)Cc1cc2ccccc2[nH]c1=O ZINC000111234987 637804350 /nfs/dbraw/zinc/80/43/50/637804350.db2.gz FOUOSXBCBAHTEK-UHFFFAOYSA-N 1 0 294.354 3.278 20 10 CGCDRO C[N@@H+](Cc1cc2c(cc1O)CCCC2)CC1=CCCOC1 ZINC000853561996 637866736 /nfs/dbraw/zinc/86/67/36/637866736.db2.gz BOICCTPBSLYDBS-UHFFFAOYSA-N 1 0 287.403 3.050 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@H](CCF)C2)c1O ZINC000853564894 637867944 /nfs/dbraw/zinc/86/79/44/637867944.db2.gz WBBNZKZTHLTLOQ-CYBMUJFWSA-N 1 0 281.371 3.281 20 10 CGCDRO Nc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCc2cccc(O)c21 ZINC000854226695 638028104 /nfs/dbraw/zinc/02/81/04/638028104.db2.gz OEFOOEZHHWUQJG-HOTGVXAUSA-N 1 0 280.371 3.239 20 10 CGCDRO COCc1ccc(C[NH2+]Cc2cc(C)ccc2O)cc1 ZINC000113318306 638185345 /nfs/dbraw/zinc/18/53/45/638185345.db2.gz FPHDMYKDWNKINK-UHFFFAOYSA-N 1 0 271.360 3.137 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)C1(Cl)CC1 ZINC000924863113 638418102 /nfs/dbraw/zinc/41/81/02/638418102.db2.gz UXYPIDOTWJRVAO-SNVBAGLBSA-N 1 0 270.779 3.141 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccns2)cc1F ZINC000858212198 638658153 /nfs/dbraw/zinc/65/81/53/638658153.db2.gz KDZIPEUSLNEYDB-UHFFFAOYSA-N 1 0 293.411 3.418 20 10 CGCDRO Cc1ncccc1C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000858274624 638671019 /nfs/dbraw/zinc/67/10/19/638671019.db2.gz XTJRAIWTACUOGA-GQCTYLIASA-N 1 0 281.403 3.259 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H]2CCCC23CC3)c1 ZINC000858333070 638684055 /nfs/dbraw/zinc/68/40/55/638684055.db2.gz UZJDAJCPUALMOH-AWEZNQCLSA-N 1 0 275.392 3.461 20 10 CGCDRO CCN(CC)c1ccc(CNc2cc[nH+]c(CO)c2)cc1 ZINC000858353599 638689884 /nfs/dbraw/zinc/68/98/84/638689884.db2.gz MDORXQRCIIXYHO-UHFFFAOYSA-N 1 0 285.391 3.032 20 10 CGCDRO CCC[C@H](C[NH2+][C@H](C)c1cccc(OC)c1O)OCC ZINC000858451272 638722553 /nfs/dbraw/zinc/72/25/53/638722553.db2.gz QHGLAEZODLDIGD-CHWSQXEVSA-N 1 0 281.396 3.257 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](CO)CCC(C)C)c1 ZINC000858484842 638735965 /nfs/dbraw/zinc/73/59/65/638735965.db2.gz CPUJHGLEUSSMJB-KGLIPLIRSA-N 1 0 265.397 3.148 20 10 CGCDRO CC(C)CC[C@H](CO)[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000858486263 638737577 /nfs/dbraw/zinc/73/75/77/638737577.db2.gz SQWIBXKDPXBQIP-WCQYABFASA-N 1 0 285.815 3.493 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccc(F)cc1[O-] ZINC000858490697 638740874 /nfs/dbraw/zinc/74/08/74/638740874.db2.gz LZCJEDZTJXUVKE-CZUORRHYSA-N 1 0 294.414 3.304 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc(F)cc1[O-] ZINC000858490695 638741121 /nfs/dbraw/zinc/74/11/21/638741121.db2.gz LZCJEDZTJXUVKE-BBRMVZONSA-N 1 0 294.414 3.304 20 10 CGCDRO C[C@H]([NH2+]C[C@]12CCC[C@H]1OCC2)c1ccc(N(C)C)cc1 ZINC000926915139 638824722 /nfs/dbraw/zinc/82/47/22/638824722.db2.gz DPAOWLJQWMYCIU-BMGDILEWSA-N 1 0 288.435 3.362 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H]2C[C@H]2C(F)(F)F)c1O ZINC000926946464 638828288 /nfs/dbraw/zinc/82/82/88/638828288.db2.gz VFHXRZOCQCOIAY-WCABBAIRSA-N 1 0 289.297 3.250 20 10 CGCDRO CO[C@H]1C[C@@H](C[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)C1 ZINC000858592491 638999400 /nfs/dbraw/zinc/99/94/00/638999400.db2.gz DCWMAWOAMWZUNG-HEHGZKQESA-N 1 0 289.419 3.347 20 10 CGCDRO CS[C@H]1CCC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000117393677 639325976 /nfs/dbraw/zinc/32/59/76/639325976.db2.gz VSKOBPRAXZPQNJ-CABCVRRESA-N 1 0 277.433 3.385 20 10 CGCDRO COc1cccc(C[NH2+]C[C@@H]2CCc3ccccc3C2)c1O ZINC000117388739 639326047 /nfs/dbraw/zinc/32/60/47/639326047.db2.gz CIXDJNVCIZIOQN-CQSZACIVSA-N 1 0 297.398 3.296 20 10 CGCDRO Cc1cc(C[NH2+][C@H]2COC[C@H]2C)ccc1N1CCCCC1 ZINC000932491251 639341146 /nfs/dbraw/zinc/34/11/46/639341146.db2.gz JEZYLXHEHVHKAE-WBVHZDCISA-N 1 0 288.435 3.110 20 10 CGCDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2cc(Cl)ccc2O)cc1 ZINC000036387987 639358568 /nfs/dbraw/zinc/35/85/68/639358568.db2.gz NNMJBEGLYKDTBT-UHFFFAOYSA-N 1 0 292.722 3.244 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C(C)(C)[C@H](O)c2ccccc2)cc1 ZINC000039257907 639663101 /nfs/dbraw/zinc/66/31/01/639663101.db2.gz HVUVUDQGCGELIE-GOSISDBHSA-N 1 0 298.430 3.354 20 10 CGCDRO CC[C@@H](C)[C@](C)(O)C[NH2+][C@@H](CC)c1ccccc1O ZINC000155805256 639951916 /nfs/dbraw/zinc/95/19/16/639951916.db2.gz ULAAQNVYEHFHMS-IVMMDQJWSA-N 1 0 265.397 3.230 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CC[C@H](C)[C@H](C)C2)c1O ZINC000159974359 640081406 /nfs/dbraw/zinc/08/14/06/640081406.db2.gz OVADWWSZWBYGRF-QWHCGFSZSA-N 1 0 263.381 3.187 20 10 CGCDRO Oc1ccccc1C[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000187677576 640094118 /nfs/dbraw/zinc/09/41/18/640094118.db2.gz VYCZRIAWCZKCCD-UHFFFAOYSA-N 1 0 265.356 3.440 20 10 CGCDRO COC[C@H](C)C[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000187882180 640104103 /nfs/dbraw/zinc/10/41/03/640104103.db2.gz OCHIRZQMXVJWOD-MRXNPFEDSA-N 1 0 290.451 3.295 20 10 CGCDRO COc1cnccc1[C@@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000188786182 640151618 /nfs/dbraw/zinc/15/16/18/640151618.db2.gz GAUSZMXAOHMAGA-NWDGAFQWSA-N 1 0 272.348 3.208 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)[C@H](C)OC)cc1 ZINC000189118229 640168896 /nfs/dbraw/zinc/16/88/96/640168896.db2.gz RCLQOZBXAFESPL-KBPBESRZSA-N 1 0 264.413 3.046 20 10 CGCDRO Cc1cccc(C[NH+]2CC(C)(C)OC(C)(C)C2)c1O ZINC000189658743 640204321 /nfs/dbraw/zinc/20/43/21/640204321.db2.gz BWYKNMOSFGFXEH-UHFFFAOYSA-N 1 0 263.381 3.090 20 10 CGCDRO CCOc1cccc(C[NH+]2CC(C)(C)OC(C)(C)C2)c1O ZINC000189658795 640204386 /nfs/dbraw/zinc/20/43/86/640204386.db2.gz RTZJLKZQCQLREU-UHFFFAOYSA-N 1 0 293.407 3.180 20 10 CGCDRO CC[C@H]([NH2+]Cc1cc(C)ccc1O)c1nccs1 ZINC000078004087 640276981 /nfs/dbraw/zinc/27/69/81/640276981.db2.gz NQOPNZCDSRXXFC-LBPRGKRZSA-N 1 0 262.378 3.398 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H](CO)Cc2ccccc2C)c(O)c1 ZINC000191556415 640319338 /nfs/dbraw/zinc/31/93/38/640319338.db2.gz PYJFPYIYLKHDQD-RDJZCZTQSA-N 1 0 299.414 3.263 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@H](C)c2nc(C)cs2)c1 ZINC000080270117 640460164 /nfs/dbraw/zinc/46/01/64/640460164.db2.gz LUDDNVDGXMKOIA-SNVBAGLBSA-N 1 0 278.377 3.017 20 10 CGCDRO Cc1ncsc1C[NH2+]Cc1c(O)cccc1Cl ZINC000083552487 640596315 /nfs/dbraw/zinc/59/63/15/640596315.db2.gz NSGIXRJQIIKCOA-UHFFFAOYSA-N 1 0 268.769 3.100 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCOC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000090774291 640691990 /nfs/dbraw/zinc/69/19/90/640691990.db2.gz VNOZEAYRNIYNEC-ZFWWWQNUSA-N 1 0 292.398 3.256 20 10 CGCDRO CO[C@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000091772282 640721762 /nfs/dbraw/zinc/72/17/62/640721762.db2.gz ZVSZORYQNNEPSO-SFHVURJKSA-N 1 0 288.435 3.288 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1)c1ccccc1O ZINC000248550427 640768052 /nfs/dbraw/zinc/76/80/52/640768052.db2.gz HYRHGJIZRNXYJT-IOASZLSFSA-N 1 0 274.408 3.058 20 10 CGCDRO C[C@H]1C[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)C[C@@H](C)C1 ZINC000251798975 640833898 /nfs/dbraw/zinc/83/38/98/640833898.db2.gz GFMTXETUYVSQFA-PJXYFTJBSA-N 1 0 277.364 3.035 20 10 CGCDRO CC[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000096810832 640839104 /nfs/dbraw/zinc/83/91/04/640839104.db2.gz ITNOFUOKXQRUAK-GFCCVEGCSA-N 1 0 277.364 3.133 20 10 CGCDRO CC(C)[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000096810830 640839264 /nfs/dbraw/zinc/83/92/64/640839264.db2.gz XJDBGOANSWLKSC-ZDUSSCGKSA-N 1 0 291.391 3.379 20 10 CGCDRO Oc1cccc(Cl)c1CN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252505612 640852021 /nfs/dbraw/zinc/85/20/21/640852021.db2.gz VBOSPKJRTDAAOM-SWLSCSKDSA-N 1 0 294.826 3.010 20 10 CGCDRO Cc1cc(Cl)cc(C[N@H+](CCCCO)C2CC2)c1O ZINC000305785416 640905710 /nfs/dbraw/zinc/90/57/10/640905710.db2.gz XMHBEXDTVVTKRP-UHFFFAOYSA-N 1 0 283.799 3.091 20 10 CGCDRO COc1cc(C)cc(C[N@H+](C)Cc2ccc(F)cc2)c1O ZINC000119823687 641045386 /nfs/dbraw/zinc/04/53/86/641045386.db2.gz HBYCKWSYHBLRSI-UHFFFAOYSA-N 1 0 289.350 3.480 20 10 CGCDRO c1cc2c(cc1Nc1ccc3c(c1)CCCN3)C[NH2+]CC2 ZINC001159615331 806133108 /nfs/dbraw/zinc/13/31/08/806133108.db2.gz CXIMLVRGGGBYSO-UHFFFAOYSA-N 1 0 279.387 3.434 20 10 CGCDRO Nc1ccc(Nc2ccc([C@@H]3CC[NH2+]C3)cc2)cc1 ZINC001159776044 806170246 /nfs/dbraw/zinc/17/02/46/806170246.db2.gz QBFRURAWRKLPFF-CYBMUJFWSA-N 1 0 253.349 3.089 20 10 CGCDRO Nc1ccc(Nc2ccccc2C2=CC[NH2+]CC2)cc1 ZINC001160022018 806215036 /nfs/dbraw/zinc/21/50/36/806215036.db2.gz RNSBCZFBFOIAQR-UHFFFAOYSA-N 1 0 265.360 3.389 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC001254721177 806487072 /nfs/dbraw/zinc/48/70/72/806487072.db2.gz LMQIAKPZHJPHBA-APIJFGDWSA-N 1 0 289.419 3.390 20 10 CGCDRO Oc1cc2ccccc2cc1C[NH2+][C@@H]1CCSC1 ZINC001255275870 806590748 /nfs/dbraw/zinc/59/07/48/806590748.db2.gz CLQRTMJMTCMULG-CQSZACIVSA-N 1 0 259.374 3.141 20 10 CGCDRO CCOC(=O)[C@H]1CCC[C@@H]([NH2+][C@H](C)c2ccccc2O)C1 ZINC001255343867 806622814 /nfs/dbraw/zinc/62/28/14/806622814.db2.gz PKROINZIQCVRQC-HZSPNIEDSA-N 1 0 291.391 3.165 20 10 CGCDRO CCCCC[C@@H](C)[NH2+]Cc1cc(OC)ccc1O ZINC000036791972 798850626 /nfs/dbraw/zinc/85/06/26/798850626.db2.gz LYEKYIIUCGNQSA-GFCCVEGCSA-N 1 0 251.370 3.459 20 10 CGCDRO CC(C)C[C@@H](C[NH2+][C@H](C)c1ccc(N(C)C)cc1)N(C)C ZINC000037240717 798863983 /nfs/dbraw/zinc/86/39/83/798863983.db2.gz OACDTIMDGRHDGO-QAPCUYQASA-N 1 0 291.483 3.380 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2ccc(N3CCCC3)cc2)cn1 ZINC000057591594 798899932 /nfs/dbraw/zinc/89/99/32/798899932.db2.gz ADPLUJSCTAJORU-UHFFFAOYSA-N 1 0 281.403 3.280 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CCOC[C@@H]1C ZINC000312220760 799226747 /nfs/dbraw/zinc/22/67/47/799226747.db2.gz BZNFFTXOGHINKT-RQJABVFESA-N 1 0 275.392 3.264 20 10 CGCDRO C[C@H]([NH2+]Cc1cc(Cl)ccc1O)[C@@H]1CCCCO1 ZINC000379184708 799348549 /nfs/dbraw/zinc/34/85/49/799348549.db2.gz QRCNIZKTWMJWHM-HZMBPMFUSA-N 1 0 269.772 3.093 20 10 CGCDRO COCC1(C[NH2+][C@H](C)c2ccc(C)cc2O)CCC1 ZINC000382052408 799392911 /nfs/dbraw/zinc/39/29/11/799392911.db2.gz WWHLPQVXRUCSCD-CYBMUJFWSA-N 1 0 263.381 3.168 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)[C@H]1C ZINC000385662619 799427709 /nfs/dbraw/zinc/42/77/09/799427709.db2.gz ONDSCWPIOUMJEV-KEYYUXOJSA-N 1 0 258.409 3.421 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)[C@H](OC)C2CC2)cc1 ZINC000388317944 799452457 /nfs/dbraw/zinc/45/24/57/799452457.db2.gz VWQCHTAXVSKVFS-KSSFIOAISA-N 1 0 290.451 3.436 20 10 CGCDRO Cc1cc(C[NH2+]Cc2cncn2C)c(C)n1-c1ccccc1 ZINC000388356980 799452733 /nfs/dbraw/zinc/45/27/33/799452733.db2.gz BOQRCDWGYVTYAM-UHFFFAOYSA-N 1 0 294.402 3.117 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)[C@@H]1CCCOC1)c1ccccc1O ZINC000389041896 799459800 /nfs/dbraw/zinc/45/98/00/799459800.db2.gz ZOYQLJQNSCRCSZ-GUTXKFCHSA-N 1 0 263.381 3.248 20 10 CGCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC000393402989 799486360 /nfs/dbraw/zinc/48/63/60/799486360.db2.gz RNIZAJQTUZBVTQ-IBGZPJMESA-N 1 0 296.414 3.110 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C2(CN(C)C)CCC2)cc1 ZINC000393557134 799488901 /nfs/dbraw/zinc/48/89/01/799488901.db2.gz ZMFGNCIBTRQYLC-UHFFFAOYSA-N 1 0 289.467 3.107 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@@H]1CC1(C)C ZINC000397667826 799518183 /nfs/dbraw/zinc/51/81/83/799518183.db2.gz DXZXYEYENJOHTB-YOEHRIQHSA-N 1 0 288.435 3.047 20 10 CGCDRO COc1ccc(O)c(C[N@H+](C)CCC(C)(C)C)c1 ZINC000399671625 799541129 /nfs/dbraw/zinc/54/11/29/799541129.db2.gz MCHZMCONVCJSQC-UHFFFAOYSA-N 1 0 251.370 3.269 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)c1 ZINC000403331973 799565559 /nfs/dbraw/zinc/56/55/59/799565559.db2.gz CVLBSRZEUISKQD-RFQIPJPRSA-N 1 0 275.392 3.488 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CC(C)(C)OC[C@H]2CC)c1O ZINC000403916409 799572463 /nfs/dbraw/zinc/57/24/63/799572463.db2.gz OVKRRMNNMDFXIT-CQSZACIVSA-N 1 0 293.407 3.180 20 10 CGCDRO Cc1ccc(CC[NH2+][C@@H]2CCc3cccc(O)c32)o1 ZINC000689781071 799769130 /nfs/dbraw/zinc/76/91/30/799769130.db2.gz HYAHBDMNSLKBNG-CQSZACIVSA-N 1 0 257.333 3.113 20 10 CGCDRO CCc1nc(C)c(C[NH2+]Cc2cccc(CC)c2O)o1 ZINC000691505597 799785494 /nfs/dbraw/zinc/78/54/94/799785494.db2.gz MCTOXCJHCBOXJF-UHFFFAOYSA-N 1 0 274.364 3.103 20 10 CGCDRO CCSC1(C[NH2+]Cc2c(O)cccc2Cl)CC1 ZINC000691855311 799788824 /nfs/dbraw/zinc/78/88/24/799788824.db2.gz KLIILPHEIGUZIN-UHFFFAOYSA-N 1 0 271.813 3.421 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H](C)Cc2ccccn2)c(O)c1 ZINC000693998926 799819246 /nfs/dbraw/zinc/81/92/46/799819246.db2.gz CSGAICWOQYIAEP-KGLIPLIRSA-N 1 0 270.376 3.377 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](C)Cc1ccccn1)c1ccccc1O ZINC000693999289 799819835 /nfs/dbraw/zinc/81/98/35/799819835.db2.gz FGHLPLLLQKJXQR-XJKSGUPXSA-N 1 0 270.376 3.459 20 10 CGCDRO CCc1cccc(C[NH2+]C2C[C@@H](C)O[C@H](C)C2)c1O ZINC000694772919 799824343 /nfs/dbraw/zinc/82/43/43/799824343.db2.gz LWEHHRBQRXJVDI-VXGBXAGGSA-N 1 0 263.381 3.000 20 10 CGCDRO Cc1cccc(C[NH2+][C@H]2CCCC(F)(F)C2)c1O ZINC000695065815 799826175 /nfs/dbraw/zinc/82/61/75/799826175.db2.gz MDRVCMSTQDYSBP-LBPRGKRZSA-N 1 0 255.308 3.368 20 10 CGCDRO CCOc1cccc(C[NH2+]CC[C@H](C)CC)c1O ZINC000696179484 799838955 /nfs/dbraw/zinc/83/89/55/799838955.db2.gz DEDHTYIHSSIABI-GFCCVEGCSA-N 1 0 251.370 3.317 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]CCC(C)(C)F)c1O ZINC000698193499 799854083 /nfs/dbraw/zinc/85/40/83/799854083.db2.gz FSIWPHVZCYXJOR-UHFFFAOYSA-N 1 0 275.751 3.282 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CCSCC(F)(F)F)cc1 ZINC000698952985 799858129 /nfs/dbraw/zinc/85/81/29/799858129.db2.gz OCOLFBJTWWSUBW-UHFFFAOYSA-N 1 0 292.370 3.138 20 10 CGCDRO CC[C@@H]1COC[C@@H]1[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC000699524546 799863266 /nfs/dbraw/zinc/86/32/66/799863266.db2.gz OZYFLFPYNWAUIE-WBVHZDCISA-N 1 0 276.424 3.047 20 10 CGCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1cnc(Cl)s1 ZINC000700860714 799882130 /nfs/dbraw/zinc/88/21/30/799882130.db2.gz LHRCGFCZGSFYGI-UHFFFAOYSA-N 1 0 293.823 3.208 20 10 CGCDRO CCC[C@@H](C)[NH2+]Cc1ccc(Br)cc1O ZINC000701014370 799883066 /nfs/dbraw/zinc/88/30/66/799883066.db2.gz NCBLIGQPIMSNKN-SECBINFHSA-N 1 0 272.186 3.433 20 10 CGCDRO Oc1ccc2ccccc2c1C[N@@H+]1CCC[C@@H](F)C1 ZINC000701658973 799891161 /nfs/dbraw/zinc/89/11/61/799891161.db2.gz QCVMVJYRDQZDLL-CYBMUJFWSA-N 1 0 259.324 3.479 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCC23CC3)c1 ZINC000706918858 799970483 /nfs/dbraw/zinc/97/04/83/799970483.db2.gz ZULIXIBCDPLVGW-NHYWBVRUSA-N 1 0 261.365 3.384 20 10 CGCDRO CC[C@H]1CC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000707136571 799974150 /nfs/dbraw/zinc/97/41/50/799974150.db2.gz SRRJORKLEGOJCC-JTQLQIEISA-N 1 0 284.197 3.387 20 10 CGCDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(O)c(O)c2)CC(C)(C)C1 ZINC000708338608 799984883 /nfs/dbraw/zinc/98/48/83/799984883.db2.gz BNMIJMYQMLMXFW-AAEUAGOBSA-N 1 0 263.381 3.402 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(O)c(O)c2)CC(C)(C)C1 ZINC000708338616 799985039 /nfs/dbraw/zinc/98/50/39/799985039.db2.gz BNMIJMYQMLMXFW-YPMHNXCESA-N 1 0 263.381 3.402 20 10 CGCDRO C[C@H]1C[N@@H+](Cc2cc(F)cc(F)c2[O-])CC[C@@H]1C ZINC000708424647 799988352 /nfs/dbraw/zinc/98/83/52/799988352.db2.gz ZBLQKABDBNZXQY-UWVGGRQHSA-N 1 0 255.308 3.148 20 10 CGCDRO c1cc(N2CCCC2)ccc1C[NH2+][C@]12C[C@H]1CCC2 ZINC000710371575 800033845 /nfs/dbraw/zinc/03/38/45/800033845.db2.gz WFILPQWOCBDXDU-NVXWUHKLSA-N 1 0 256.393 3.319 20 10 CGCDRO Oc1ccc2ccccc2c1C[N@@H+]1CC[C@@H](CF)C1 ZINC000711503448 800064989 /nfs/dbraw/zinc/06/49/89/800064989.db2.gz SHTJHTCZNMKZJW-LBPRGKRZSA-N 1 0 259.324 3.337 20 10 CGCDRO CC[C@@H]([NH2+]CCC(C)(C)OC)c1ccccc1O ZINC000711886076 800078777 /nfs/dbraw/zinc/07/87/77/800078777.db2.gz VDTWUPMKXXQUCF-CYBMUJFWSA-N 1 0 251.370 3.248 20 10 CGCDRO COc1cccc(C[NH2+][C@H](C)CC2CCCC2)c1O ZINC000712564191 800093286 /nfs/dbraw/zinc/09/32/86/800093286.db2.gz CMLYKWDWUNRQAF-GFCCVEGCSA-N 1 0 263.381 3.459 20 10 CGCDRO Cc1cccc(C[NH2+]C[C@H]2CCC3(CCC3)CO2)c1O ZINC000716610175 800177770 /nfs/dbraw/zinc/17/77/70/800177770.db2.gz UPISGCXXWSCLJF-OAHLLOKOSA-N 1 0 275.392 3.140 20 10 CGCDRO COCC(C)(C)CC[NH2+][C@H](C)c1ccccc1O ZINC000718695151 800219914 /nfs/dbraw/zinc/21/99/14/800219914.db2.gz NORZWPXFYOGHGM-GFCCVEGCSA-N 1 0 251.370 3.106 20 10 CGCDRO COCC(C)(C)CC[NH2+]Cc1c(O)cccc1Cl ZINC000718742944 800220787 /nfs/dbraw/zinc/22/07/87/800220787.db2.gz ZRGPOKWRIKRDTM-UHFFFAOYSA-N 1 0 271.788 3.198 20 10 CGCDRO CCOc1cccc(C[NH2+]CCC2CC=CC2)c1O ZINC000724205348 800356918 /nfs/dbraw/zinc/35/69/18/800356918.db2.gz OSDVZVBAOCPYQN-UHFFFAOYSA-N 1 0 261.365 3.237 20 10 CGCDRO COc1cccc(C[NH2+]C[C@]2(C)CC2(Cl)Cl)c1O ZINC000824766588 800471806 /nfs/dbraw/zinc/47/18/06/800471806.db2.gz VUXOQRQUOMAXTB-LBPRGKRZSA-N 1 0 290.190 3.074 20 10 CGCDRO C[C@@H]1CCC[C@@H](C[NH2+]C/C=C/c2ccc(N(C)C)cc2)O1 ZINC000850379354 800518099 /nfs/dbraw/zinc/51/80/99/800518099.db2.gz MCYYJAUIURGKQS-USVNEQSZSA-N 1 0 288.435 3.313 20 10 CGCDRO CC[C@H](C[C@](C)(O)CC)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000924573236 800626055 /nfs/dbraw/zinc/62/60/55/800626055.db2.gz GQWQJNNFZFXOSQ-NVXWUHKLSA-N 1 0 278.440 3.172 20 10 CGCDRO COc1cccc2c1CC[C@@H]([N@H+](C)Cc1ccccc1O)C2 ZINC001256654369 806941195 /nfs/dbraw/zinc/94/11/95/806941195.db2.gz MRKFKRUIQRKEEN-MRXNPFEDSA-N 1 0 297.398 3.390 20 10 CGCDRO CC[N@H+](Cc1ccccc1O)[C@H](C)Cc1ccncc1 ZINC001256751532 806972496 /nfs/dbraw/zinc/97/24/96/806972496.db2.gz YQMXUXFUASRVBY-CQSZACIVSA-N 1 0 270.376 3.240 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCCC[C@H]1N(C)C)c1ccc(N(C)C)cc1 ZINC001116296477 802328328 /nfs/dbraw/zinc/32/83/28/802328328.db2.gz ULMTXSOBNSXNPO-JCGIZDLHSA-N 1 0 289.467 3.276 20 10 CGCDRO Oc1ccc2c(c1)C1(CC1)C[N@@H+](Cc1ccccc1O)C2 ZINC001117656140 802474578 /nfs/dbraw/zinc/47/45/78/802474578.db2.gz GLXRVGXVTBXRMA-UHFFFAOYSA-N 1 0 281.355 3.145 20 10 CGCDRO FC1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001119503250 802673039 /nfs/dbraw/zinc/67/30/39/802673039.db2.gz YUZJCPCKUZMPRC-UHFFFAOYSA-N 1 0 262.372 3.221 20 10 CGCDRO Cc1cc(CN2CCC[N@@H+](C)CC2)c(C)n1-c1ccccc1 ZINC001137854281 803785405 /nfs/dbraw/zinc/78/54/05/803785405.db2.gz PJXSEWDIYXZUMI-UHFFFAOYSA-N 1 0 297.446 3.232 20 10 CGCDRO Cc1cc(C[N@@H+](C)[C@H]2CCOC2)c(C)n1-c1ccccc1 ZINC001137858010 803785921 /nfs/dbraw/zinc/78/59/21/803785921.db2.gz SNVUAFKCVMCSJK-SFHVURJKSA-N 1 0 284.403 3.315 20 10 CGCDRO Cc1c(CN(C)CC[NH+]2CCCC2)c2ccccc2n1C ZINC001138257868 803880984 /nfs/dbraw/zinc/88/09/84/803880984.db2.gz AXQNEDZUBDIPNK-UHFFFAOYSA-N 1 0 285.435 3.014 20 10 CGCDRO CC[NH+](CC)CCN(C)Cc1c2ccccc2n(C)c1C ZINC001138252852 803881191 /nfs/dbraw/zinc/88/11/91/803881191.db2.gz WVQNMXFKAQFCEN-UHFFFAOYSA-N 1 0 287.451 3.260 20 10 CGCDRO Cc1c(C[N@@H+]2CC[C@H]3OCC[C@@H]3C2)c2ccccc2n1C ZINC001138258025 803884581 /nfs/dbraw/zinc/88/45/81/803884581.db2.gz ISDJSZYWVJYTKD-RDTXWAMCSA-N 1 0 284.403 3.098 20 10 CGCDRO Cc1c(CN(C)Cc2ccon2)c2ccccc2n1C ZINC001138258322 803885860 /nfs/dbraw/zinc/88/58/60/803885860.db2.gz PWLYHAGDKHTOJF-UHFFFAOYSA-N 1 0 269.348 3.107 20 10 CGCDRO CO[C@@H]1CC[N@H+](Cc2c3ccccc3n(C)c2C)[C@@H](C)C1 ZINC001138260751 803887452 /nfs/dbraw/zinc/88/74/52/803887452.db2.gz RDLGEFOALUJIML-DZGCQCFKSA-N 1 0 286.419 3.486 20 10 CGCDRO CN1CCCc2cc(C[N@@H+]3C[C@@H]4CCC[C@@H]4C3)ccc21 ZINC001138354816 803900821 /nfs/dbraw/zinc/90/08/21/803900821.db2.gz WAZVKGPIHLGNJJ-CALCHBBNSA-N 1 0 270.420 3.301 20 10 CGCDRO CCCO[C@@H]1CC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC001139671855 804247195 /nfs/dbraw/zinc/24/71/95/804247195.db2.gz PBZDPYKHQPCNEH-MRXNPFEDSA-N 1 0 276.424 3.062 20 10 CGCDRO Cc1cc(C[N@@H+]2CCc3cnccc3C2)ccc1N(C)C ZINC001139669826 804248315 /nfs/dbraw/zinc/24/83/15/804248315.db2.gz PPRQSYNIURLSKQ-UHFFFAOYSA-N 1 0 281.403 3.014 20 10 CGCDRO Cc1ccc(C)c(C[NH+]2CC(C)(C)OC(C)(C)C2)c1O ZINC001140183698 804397024 /nfs/dbraw/zinc/39/70/24/804397024.db2.gz HEDJVAJRXLXUSP-UHFFFAOYSA-N 1 0 277.408 3.398 20 10 CGCDRO CCN(CC[NH+](CC)CC)Cc1c(C)ccc(C)c1O ZINC001140180243 804397087 /nfs/dbraw/zinc/39/70/87/804397087.db2.gz UGYHHZNMOKSVHF-UHFFFAOYSA-N 1 0 278.440 3.173 20 10 CGCDRO Oc1cccc(Cl)c1C[N@H+](CC1CC1)C1CC1 ZINC001140341931 804419856 /nfs/dbraw/zinc/41/98/56/804419856.db2.gz LLINARQGEIHHRP-UHFFFAOYSA-N 1 0 251.757 3.420 20 10 CGCDRO CC[N@H+](Cc1ccc2n[nH]cc2c1)Cc1ccccc1O ZINC001140388335 804428765 /nfs/dbraw/zinc/42/87/65/804428765.db2.gz QKJJPNBANZLFIJ-UHFFFAOYSA-N 1 0 281.359 3.291 20 10 CGCDRO CCN(CC[NH+]1CCCCC1)Cc1ccc(Cl)cc1O ZINC001140465233 804444181 /nfs/dbraw/zinc/44/41/81/804444181.db2.gz JAMJXXYGPUSVKM-UHFFFAOYSA-N 1 0 296.842 3.353 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@](CF)(C(F)(F)F)C2)c1 ZINC001140619271 804476986 /nfs/dbraw/zinc/47/69/86/804476986.db2.gz ACMMDTRVLNHEQZ-ZDUSSCGKSA-N 1 0 291.288 3.425 20 10 CGCDRO Cc1c(O)ccc(C[N@H+]2CC[C@@H](C)C(F)(F)CC2)c1O ZINC001140742792 804502448 /nfs/dbraw/zinc/50/24/48/804502448.db2.gz ZBSAIRSTELGWCX-SNVBAGLBSA-N 1 0 285.334 3.273 20 10 CGCDRO Cc1c(O)ccc(C[N@@H+]2CCc3sccc3C2)c1O ZINC001140744053 804502553 /nfs/dbraw/zinc/50/25/53/804502553.db2.gz JNFOZEGMODUERM-UHFFFAOYSA-N 1 0 275.373 3.026 20 10 CGCDRO Cc1c(O)ccc(C[NH+]2CCC(c3cccnc3)CC2)c1O ZINC001140747739 804504656 /nfs/dbraw/zinc/50/46/56/804504656.db2.gz KILNFBZOZKUGGP-UHFFFAOYSA-N 1 0 298.386 3.181 20 10 CGCDRO Cc1c(O)ccc(C[NH+]2C3CCCC2CCC3)c1O ZINC001140747717 804504703 /nfs/dbraw/zinc/50/47/03/804504703.db2.gz JKVPMYRRDQSBAK-UHFFFAOYSA-N 1 0 261.365 3.313 20 10 CGCDRO Cc1c(O)ccc(C[N@H+](C)Cc2cccc(F)c2F)c1O ZINC001140747766 804504730 /nfs/dbraw/zinc/50/47/30/804504730.db2.gz LRLSVFULMWRBIE-UHFFFAOYSA-N 1 0 293.313 3.316 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@](C)(CF)C2)c(O)c1 ZINC001140850177 804533822 /nfs/dbraw/zinc/53/38/22/804533822.db2.gz FWZMQCFULGENLI-QGZVFWFLSA-N 1 0 294.414 3.420 20 10 CGCDRO CN(C)c1ccc(CN2CCC[C@@H](F)C2)c(Cl)c1 ZINC001140924192 804551394 /nfs/dbraw/zinc/55/13/94/804551394.db2.gz OLDAEUIZEPJTAC-GFCCVEGCSA-N 1 0 270.779 3.340 20 10 CGCDRO Cc1ccc(C[N@@H+]2CC[C@@H]2COCc2ccccc2)c(O)c1 ZINC001140950224 804558150 /nfs/dbraw/zinc/55/81/50/804558150.db2.gz WDMFHTOFLIBQNG-GOSISDBHSA-N 1 0 297.398 3.492 20 10 CGCDRO Cc1ccc(C[N@H+](Cc2ccco2)C2CC2)c(O)c1 ZINC001140958133 804558724 /nfs/dbraw/zinc/55/87/24/804558724.db2.gz RZDMUJANUBHMSK-UHFFFAOYSA-N 1 0 257.333 3.458 20 10 CGCDRO COc1cc(O)c(C[NH+]2CCC(C(C)C)CC2)c(OC)c1 ZINC001141028873 804575864 /nfs/dbraw/zinc/57/58/64/804575864.db2.gz DDORIDYGALIWSD-UHFFFAOYSA-N 1 0 293.407 3.277 20 10 CGCDRO CN1CCOc2cc(C[N@H+](C)Cc3cccs3)ccc21 ZINC001141143372 804596923 /nfs/dbraw/zinc/59/69/23/804596923.db2.gz WKIXVVZZCAXFGO-UHFFFAOYSA-N 1 0 288.416 3.209 20 10 CGCDRO Oc1ccc(O)c(C[N@@H+]2CC[C@@H](c3ccccc3F)C2)c1 ZINC001141160052 804601743 /nfs/dbraw/zinc/60/17/43/804601743.db2.gz QFZFNHDBOIQYCC-GFCCVEGCSA-N 1 0 287.334 3.226 20 10 CGCDRO [O-]c1cc(F)c(F)cc1C[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC001142524785 804731660 /nfs/dbraw/zinc/73/16/60/804731660.db2.gz KOMGGMXZNQUYEL-QMTHXVAHSA-N 1 0 267.319 3.435 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)Cc2cccc3[nH]cnc32)cc1 ZINC001142692462 804757751 /nfs/dbraw/zinc/75/77/51/804757751.db2.gz DTVHJNSSPZZSNR-UHFFFAOYSA-N 1 0 294.402 3.261 20 10 CGCDRO CC(C)(C)c1cccc(C[N@@H+]2CCC[C@@](C)(O)CC2)c1O ZINC001143104573 804801209 /nfs/dbraw/zinc/80/12/09/804801209.db2.gz VITUIHBEAQRNSW-GOSISDBHSA-N 1 0 291.435 3.427 20 10 CGCDRO CC(C)(C)c1cccc(C[N@@H+]2CCC[C@]3(CCO3)C2)c1O ZINC001143112064 804803301 /nfs/dbraw/zinc/80/33/01/804803301.db2.gz JDJVIRDXRWEVBV-SFHVURJKSA-N 1 0 289.419 3.445 20 10 CGCDRO CO[C@H](C)C1C[NH+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143116872 804805211 /nfs/dbraw/zinc/80/52/11/804805211.db2.gz MVIPXXBBAFIKGX-GFCCVEGCSA-N 1 0 277.408 3.156 20 10 CGCDRO COc1c(F)cccc1C[N@H+](C)Cc1ccccc1O ZINC001143536730 804864409 /nfs/dbraw/zinc/86/44/09/804864409.db2.gz GMYNQEJZESUSPD-UHFFFAOYSA-N 1 0 275.323 3.172 20 10 CGCDRO COc1c(F)cccc1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001143536745 804864769 /nfs/dbraw/zinc/86/47/69/804864769.db2.gz HBSVCDXAVHDINL-UHFFFAOYSA-N 1 0 287.334 3.098 20 10 CGCDRO CCC1CCC([NH2+]CCc2ccc(O)c(O)c2)CC1 ZINC001256866185 806994243 /nfs/dbraw/zinc/99/42/43/806994243.db2.gz DHUSFZIYLRJYNO-UHFFFAOYSA-N 1 0 263.381 3.199 20 10 CGCDRO CCC(CC)[NH2+]C1CCN(Cc2ccccc2O)CC1 ZINC001257291933 807089537 /nfs/dbraw/zinc/08/95/37/807089537.db2.gz OZSKQQKAMFPWBX-UHFFFAOYSA-N 1 0 276.424 3.135 20 10 CGCDRO CC[NH+](CC)CCC[C@@H](C)[N@H+](C)Cc1ccccc1O ZINC001167838214 807258618 /nfs/dbraw/zinc/25/86/18/807258618.db2.gz RSTACYNNWWBJMB-OAHLLOKOSA-N 1 0 278.440 3.335 20 10 CGCDRO CC(C)=CCC[C@H](C)[NH2+]CCc1cc(O)c(O)cc1O ZINC001258075949 807294828 /nfs/dbraw/zinc/29/48/28/807294828.db2.gz HKMBEURNGOEDQP-LBPRGKRZSA-N 1 0 279.380 3.070 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]Cc2cc3ccccc3cc2O)CCO1 ZINC001168090655 807308879 /nfs/dbraw/zinc/30/88/79/807308879.db2.gz GESNXQJJYXGPCK-MLGOLLRUSA-N 1 0 271.360 3.203 20 10 CGCDRO CCOC(=O)CCC[C@@H](C)[NH2+][C@H](C)c1ccccc1O ZINC001258107935 807311724 /nfs/dbraw/zinc/31/17/24/807311724.db2.gz YVRWYMCALVAFAE-CHWSQXEVSA-N 1 0 279.380 3.165 20 10 CGCDRO CC1CCC([N@@H+]2CCCc3cc(O)c(O)cc3C2)CC1 ZINC001168222143 807355000 /nfs/dbraw/zinc/35/50/00/807355000.db2.gz ZKAUFIDRMVMQHW-UHFFFAOYSA-N 1 0 275.392 3.425 20 10 CGCDRO CC[N@H+](Cc1ccccc1O)[C@H](C)Cc1ccco1 ZINC001258196452 807355950 /nfs/dbraw/zinc/35/59/50/807355950.db2.gz WTXKZGOVNCPUJP-CYBMUJFWSA-N 1 0 259.349 3.438 20 10 CGCDRO COc1ccc2c(c1)C[C@H]([NH2+][C@@H](C)c1ccccc1O)C2 ZINC001168246114 807364090 /nfs/dbraw/zinc/36/40/90/807364090.db2.gz FMYAPKRCBAFFMZ-SWLSCSKDSA-N 1 0 283.371 3.219 20 10 CGCDRO Cc1cccc(C[NH2+][C@H]2CCc3cc(F)ccc3C2)c1O ZINC001168416341 807409416 /nfs/dbraw/zinc/40/94/16/807409416.db2.gz XDYFFRCSZJNJNA-KRWDZBQOSA-N 1 0 285.362 3.487 20 10 CGCDRO CCN(C)c1ccc(CN2C[C@@H](C)[N@H+](CC)C[C@@H]2C)cc1 ZINC001168839524 807524484 /nfs/dbraw/zinc/52/44/84/807524484.db2.gz VDNBTPCYVSAKHI-CVEARBPZSA-N 1 0 289.467 3.057 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]CCc2ccc(O)c(O)c2)CC(C)(C)C1 ZINC001258687805 807545252 /nfs/dbraw/zinc/54/52/52/807545252.db2.gz UZQWFGAQMAMIJY-TZMCWYRMSA-N 1 0 277.408 3.445 20 10 CGCDRO CC(C)C1CCC([NH2+]Cc2ccc(O)cc2O)CC1 ZINC001258799182 807620189 /nfs/dbraw/zinc/62/01/89/807620189.db2.gz KZPNIXBTZKKMSP-UHFFFAOYSA-N 1 0 263.381 3.402 20 10 CGCDRO Oc1cccc(Br)c1C[NH2+]CCCC(F)F ZINC001262193390 807835110 /nfs/dbraw/zinc/83/51/10/807835110.db2.gz KKNCCLCEQCMBOQ-UHFFFAOYSA-N 1 0 294.139 3.290 20 10 CGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC001262207296 807838063 /nfs/dbraw/zinc/83/80/63/807838063.db2.gz YDQJFMPNGUUOTB-ARKGTOAJSA-N 1 0 299.414 3.430 20 10 CGCDRO Oc1cccc2c1C[N@@H+]([C@@H]1Cc3cccc(F)c3C1)CC2 ZINC001171807385 808145995 /nfs/dbraw/zinc/14/59/95/808145995.db2.gz UAWFLOBPWAGOCB-CQSZACIVSA-N 1 0 283.346 3.057 20 10 CGCDRO CC[C@@H](C)OCC[C@H](C)[NH2+]Cc1cccc(C)c1O ZINC001172334292 808238217 /nfs/dbraw/zinc/23/82/17/808238217.db2.gz HOLNHQRXMNBXDP-UONOGXRCSA-N 1 0 265.397 3.384 20 10 CGCDRO Oc1cccc(C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)c1O ZINC001172712411 808414831 /nfs/dbraw/zinc/41/48/31/808414831.db2.gz KLWKCAHDRRAHAB-CQSZACIVSA-N 1 0 289.762 3.008 20 10 CGCDRO COC(=O)[C@H]1CCC[C@@H]([NH2+][C@H](C)c2ccccc2O)CC1 ZINC001172777882 808437696 /nfs/dbraw/zinc/43/76/96/808437696.db2.gz SFKZJXKCIZSPBP-HZSPNIEDSA-N 1 0 291.391 3.165 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CCc2ncsc2C1)c1ccccc1O ZINC001173123527 808519479 /nfs/dbraw/zinc/51/94/79/808519479.db2.gz GBTXQMOBCGIEIH-MNOVXSKESA-N 1 0 274.389 3.057 20 10 CGCDRO CN1CC2(C1)CCC[N@H+](Cc1cc3ccccc3cc1O)C2 ZINC001276811899 809033172 /nfs/dbraw/zinc/03/31/72/809033172.db2.gz AZGLTQOJVFKXIU-UHFFFAOYSA-N 1 0 296.414 3.073 20 10 CGCDRO COc1ccc(N2CC3(C2)C[NH+](C2CCCC2)C3)c(C)c1 ZINC001277018287 809054046 /nfs/dbraw/zinc/05/40/46/809054046.db2.gz GEKMVHIVTLAQHF-UHFFFAOYSA-N 1 0 286.419 3.068 20 10 CGCDRO Cc1cc(C[NH2+][C@H](CCO)C2CCCC2)ccc1N(C)C ZINC001176506069 809709175 /nfs/dbraw/zinc/70/91/75/809709175.db2.gz ZCIHTNKPNDQYBF-QGZVFWFLSA-N 1 0 290.451 3.092 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc2[nH]cnc2c1)c1ccccc1O ZINC001179489512 809925346 /nfs/dbraw/zinc/92/53/46/809925346.db2.gz RLKMLTFTYYDXPE-LLVKDONJSA-N 1 0 267.332 3.119 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CC(C)(C)CO2)c(Cl)c1 ZINC001179516171 809927833 /nfs/dbraw/zinc/92/78/33/809927833.db2.gz RDRKHSDREKNNNR-LLVKDONJSA-N 1 0 283.799 3.259 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2C[C@@H](C)C[C@H]2c2cccnc2)c1 ZINC001180664765 810017294 /nfs/dbraw/zinc/01/72/94/810017294.db2.gz JDVKNPTVPZZJLP-GUYCJALGSA-N 1 0 298.386 3.379 20 10 CGCDRO [O-]c1cc(F)c(F)cc1C[NH2+][C@H](C1CC1)C1CCC1 ZINC001182204391 810098195 /nfs/dbraw/zinc/09/81/95/810098195.db2.gz QZCVSYPXXPSNGA-HNNXBMFYSA-N 1 0 267.319 3.339 20 10 CGCDRO CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1ccc(Cl)cc1[O-] ZINC001184418376 810198494 /nfs/dbraw/zinc/19/84/94/810198494.db2.gz NLZYWJVVWDMVDH-GFCCVEGCSA-N 1 0 284.831 3.256 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2CCO)cc1C ZINC001202102316 812015355 /nfs/dbraw/zinc/01/53/55/812015355.db2.gz POJHYAFSQPDMGL-DLBZAZTESA-N 1 0 291.435 3.425 20 10 CGCDRO COc1ccc(C[NH2+]CC2CC(C)C2)cc1Cn1cccn1 ZINC001203228153 812274007 /nfs/dbraw/zinc/27/40/07/812274007.db2.gz PLKYDBXJPJXPHX-UHFFFAOYSA-N 1 0 299.418 3.076 20 10 CGCDRO COc1ccccc1O[C@@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC001203556428 812390746 /nfs/dbraw/zinc/39/07/46/812390746.db2.gz PLZZIMRQJHTHSS-OAHLLOKOSA-N 1 0 299.370 3.054 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CC[C@@](CF)(C(F)(F)F)C1 ZINC001203549940 812391528 /nfs/dbraw/zinc/39/15/28/812391528.db2.gz DKRHYRXXNCKINB-LBPRGKRZSA-N 1 0 277.261 3.116 20 10 CGCDRO COc1cccc(C[NH+]2CCC3(CC(F)C3)CC2)c1O ZINC001203590063 812402553 /nfs/dbraw/zinc/40/25/53/812402553.db2.gz UDIFMBVLBSTZJR-UHFFFAOYSA-N 1 0 279.355 3.115 20 10 CGCDRO CCOc1cccc(C[NH+](C(C)C)C(C)C)c1O ZINC001203602173 812405282 /nfs/dbraw/zinc/40/52/82/812405282.db2.gz FUNVPITYIFZUCW-UHFFFAOYSA-N 1 0 251.370 3.410 20 10 CGCDRO COc1ccc(C[NH+]2CCC3(CC(F)(F)C3)CC2)c(O)c1 ZINC001203622136 812409243 /nfs/dbraw/zinc/40/92/43/812409243.db2.gz QHBPJTZLASEQFW-UHFFFAOYSA-N 1 0 297.345 3.412 20 10 CGCDRO CCCCC[NH+]1CCN(Cc2cc(Cl)ccc2O)CC1 ZINC001203657218 812419520 /nfs/dbraw/zinc/41/95/20/812419520.db2.gz IADLFFUOIJRVIH-UHFFFAOYSA-N 1 0 296.842 3.353 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CCC(F)(F)C(C)(C)C2)c1 ZINC001203669909 812425345 /nfs/dbraw/zinc/42/53/45/812425345.db2.gz HMIGFDHIRNMNFS-UHFFFAOYSA-N 1 0 285.334 3.268 20 10 CGCDRO Cc1ccccc1C[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001203708481 812436219 /nfs/dbraw/zinc/43/62/19/812436219.db2.gz LDEHMLRBQMAINU-UHFFFAOYSA-N 1 0 283.371 3.355 20 10 CGCDRO COc1ccccc1[C@H]1CCC[N@@H+]1Cc1ccc(O)c(O)c1 ZINC001203882283 812479946 /nfs/dbraw/zinc/47/99/46/812479946.db2.gz GYAMOGSDQPYBCC-OAHLLOKOSA-N 1 0 299.370 3.444 20 10 CGCDRO CCN(CC)c1ccc(CN2CCn3c(C)ncc3C2)cc1 ZINC001203940707 812497627 /nfs/dbraw/zinc/49/76/27/812497627.db2.gz WKESHCGMNSNCER-UHFFFAOYSA-N 1 0 298.434 3.054 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC(=O)C3)cc1 ZINC001203940740 812497969 /nfs/dbraw/zinc/49/79/69/812497969.db2.gz YIJLIRJMWSRLBG-CALCHBBNSA-N 1 0 286.419 3.229 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCCC[C@@](C)(O)C2)cc1 ZINC001203937416 812498184 /nfs/dbraw/zinc/49/81/84/812498184.db2.gz YJFDNLPGMDACTB-GOSISDBHSA-N 1 0 290.451 3.270 20 10 CGCDRO CCOc1cc(C[N@@H+]2CCc3cccc(O)c3C2)ccc1O ZINC001204132782 812552308 /nfs/dbraw/zinc/55/23/08/812552308.db2.gz DATXDJGVPDAJGN-UHFFFAOYSA-N 1 0 299.370 3.055 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)CC2(C)COC2)c2ccccc21 ZINC001204242936 812583324 /nfs/dbraw/zinc/58/33/24/812583324.db2.gz UJPSWYXOKDERHS-UHFFFAOYSA-N 1 0 298.430 3.374 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)[C@H]2CCN(C)C2)c2ccccc21 ZINC001204243392 812584194 /nfs/dbraw/zinc/58/41/94/812584194.db2.gz ZCZLOWMJHKUOET-INIZCTEOSA-N 1 0 297.446 3.042 20 10 CGCDRO COc1cc(C[N@@H+]2CC[C@H](c3ccccc3)C2)cc(O)c1O ZINC001204343840 812615657 /nfs/dbraw/zinc/61/56/57/812615657.db2.gz TTXUFRHSAITKOI-HNNXBMFYSA-N 1 0 299.370 3.096 20 10 CGCDRO C[N@H+](Cc1ccc(C(F)(F)F)nc1)Cc1ccccc1O ZINC001205443812 812984108 /nfs/dbraw/zinc/98/41/08/812984108.db2.gz BDUNFWWDJRTQEQ-UHFFFAOYSA-N 1 0 296.292 3.438 20 10 CGCDRO COc1cc(C)c(C[NH2+]C[C@H]2CC[C@@H](C)C2)c(O)c1 ZINC001205634484 813036895 /nfs/dbraw/zinc/03/68/95/813036895.db2.gz SODRDCKGPZMFRD-YPMHNXCESA-N 1 0 263.381 3.235 20 10 CGCDRO CCC(C)(C)[NH+]1CCN(Cc2ccc(C)cc2O)CC1 ZINC001206484400 813331866 /nfs/dbraw/zinc/33/18/66/813331866.db2.gz JFBNGQQPDIFZQP-UHFFFAOYSA-N 1 0 276.424 3.007 20 10 CGCDRO CN(C)c1cc(F)c(C[N@@H+]2C[C@H]3CCCC[C@H]32)cc1F ZINC001206560742 813353729 /nfs/dbraw/zinc/35/37/29/813353729.db2.gz VZGXDHWTJMMQPI-IAQYHMDHSA-N 1 0 280.362 3.405 20 10 CGCDRO COc1cc(C)c(C[NH2+]CC[C@@H]2CC[C@@H]3C[C@@H]32)c(O)c1 ZINC001207570836 813596323 /nfs/dbraw/zinc/59/63/23/813596323.db2.gz UUADVWVDEYAYRV-GZBFAFLISA-N 1 0 275.392 3.235 20 10 CGCDRO C[C@@H](C[N@H+](C)Cc1ccccc1O)OCc1ccccc1 ZINC001208701827 813804290 /nfs/dbraw/zinc/80/42/90/813804290.db2.gz DZXZLYYWCQLYGS-HNNXBMFYSA-N 1 0 285.387 3.429 20 10 CGCDRO CC[N@@H+](Cc1ccccc1O)CC1C[C@H](C)O[C@@H](C)C1 ZINC001209399028 814013328 /nfs/dbraw/zinc/01/33/28/814013328.db2.gz RQQWDKRNRSDLDD-KBPBESRZSA-N 1 0 277.408 3.418 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(CN(C)CC[NH+](C)C)cc1 ZINC001209519624 814072857 /nfs/dbraw/zinc/07/28/57/814072857.db2.gz YPWLGJUBEPMLDV-UHFFFAOYSA-N 1 0 285.435 3.088 20 10 CGCDRO Nc1ccc(NC2=CC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC001210711604 814593396 /nfs/dbraw/zinc/59/33/96/814593396.db2.gz KQZCBFKIOLEMQO-MRXNPFEDSA-N 1 0 257.381 3.213 20 10 CGCDRO Cc1cc(C)c(CN2CCC[C@]3(CCCC[NH2+]3)C2)c(O)c1 ZINC001222395110 816430980 /nfs/dbraw/zinc/43/09/80/816430980.db2.gz HEBCCRABYMEEQZ-GOSISDBHSA-N 1 0 288.435 3.117 20 10 CGCDRO CN(C)c1ccc(O[C@H]2CC[C@H]([NH+](C)C)CC2)cc1 ZINC001227939233 817759326 /nfs/dbraw/zinc/75/93/26/817759326.db2.gz PLBSQEYYAYJSMY-KOMQPUFPSA-N 1 0 262.397 3.004 20 10 CGCDRO Cc1cccc(C[N@@H+](C(C)C)C2CCOCC2)c1O ZINC001231595537 818133023 /nfs/dbraw/zinc/13/30/23/818133023.db2.gz YOPBSPSUTVSOIM-UHFFFAOYSA-N 1 0 263.381 3.090 20 10 CGCDRO CCC[C@H]1CCCC[N@@H+]1Cc1cc(OC)c(O)cc1O ZINC001231635046 818144395 /nfs/dbraw/zinc/14/43/95/818144395.db2.gz DGVSPPZMVIAMHB-ZDUSSCGKSA-N 1 0 279.380 3.261 20 10 CGCDRO CCO[C@@H]1CCC[N@H+](Cc2c(C)cc(C)cc2O)C1 ZINC001231843884 818185659 /nfs/dbraw/zinc/18/56/59/818185659.db2.gz CMJDNTBLMHCQSE-CQSZACIVSA-N 1 0 263.381 3.010 20 10 CGCDRO CC[N@H+](Cc1ccncc1)Cc1c(C)cc(C)cc1O ZINC001231842878 818186531 /nfs/dbraw/zinc/18/65/31/818186531.db2.gz XQKRLNXZWYMOOW-UHFFFAOYSA-N 1 0 270.376 3.426 20 10 CGCDRO COc1cc(N(C)C)ccc1C[NH+]1CCCCCC1 ZINC001231847638 818187603 /nfs/dbraw/zinc/18/76/03/818187603.db2.gz AQJUYQFFGVVVBR-UHFFFAOYSA-N 1 0 262.397 3.137 20 10 CGCDRO CC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC001231870372 818193070 /nfs/dbraw/zinc/19/30/70/818193070.db2.gz WPSNPXNJNLYXOL-LBPRGKRZSA-N 1 0 281.783 3.155 20 10 CGCDRO CC(=O)C1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC001231881560 818199925 /nfs/dbraw/zinc/19/99/25/818199925.db2.gz WTIQEGCEWJMTKK-UHFFFAOYSA-N 1 0 283.371 3.346 20 10 CGCDRO Oc1cc(O)c(C[N@@H+]2CCc3ccccc3C2)cc1Cl ZINC001232259064 818295200 /nfs/dbraw/zinc/29/52/00/818295200.db2.gz QYLXQCSVNRCQPM-UHFFFAOYSA-N 1 0 289.762 3.310 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2cc(Cl)c(O)cc2O)CCC1(F)F ZINC001232259391 818295384 /nfs/dbraw/zinc/29/53/84/818295384.db2.gz ILODOLYYIMOOMC-MRVPVSSYSA-N 1 0 291.725 3.228 20 10 CGCDRO C[N@H+](CCc1ccccc1)Cc1cc(Cl)c(O)cc1O ZINC001232257454 818295812 /nfs/dbraw/zinc/29/58/12/818295812.db2.gz DMQOGLQSSZUQBN-UHFFFAOYSA-N 1 0 291.778 3.426 20 10 CGCDRO C[C@@]1(F)CCC[N@H+](Cc2cc(Cl)c(O)cc2O)CC1 ZINC001232261182 818295933 /nfs/dbraw/zinc/29/59/33/818295933.db2.gz WGZJWVPENHWORX-CQSZACIVSA-N 1 0 287.762 3.465 20 10 CGCDRO Oc1cc(O)c(C[N@@H+]2CCC3(CCC3)C2)cc1Cl ZINC001232262268 818298819 /nfs/dbraw/zinc/29/88/19/818298819.db2.gz DQMVARLEFDIAGT-UHFFFAOYSA-N 1 0 267.756 3.127 20 10 CGCDRO CN(C)c1ccc(C[NH+]2CCCCCCC2)c(O)c1 ZINC001232838709 818453613 /nfs/dbraw/zinc/45/36/13/818453613.db2.gz CGYNUFOGJBHGRZ-UHFFFAOYSA-N 1 0 262.397 3.224 20 10 CGCDRO CC(C)[C@H]1CCC[N@@H+]1Cc1ccc(N(C)C)cc1O ZINC001232840689 818453627 /nfs/dbraw/zinc/45/36/27/818453627.db2.gz HBOILSQBCBBGOG-OAHLLOKOSA-N 1 0 262.397 3.079 20 10 CGCDRO Oc1cc(CN2CCC[C@H]2c2cccs2)cc(O)c1O ZINC001233011489 818500901 /nfs/dbraw/zinc/50/09/01/818500901.db2.gz AUCWZAXDBZDMAV-NSHDSACASA-N 1 0 291.372 3.202 20 10 CGCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CCC[C@@H](O)CC2)c1 ZINC001233283920 818566378 /nfs/dbraw/zinc/56/63/78/818566378.db2.gz AXSOGLORQBNCTC-OAHLLOKOSA-N 1 0 277.408 3.037 20 10 CGCDRO CC(C)(C)c1ccc(O)c(C[NH+]2CC3(C2)CCOCC3)c1 ZINC001233285937 818567705 /nfs/dbraw/zinc/56/77/05/818567705.db2.gz YCBGNIIHVTWGFD-UHFFFAOYSA-N 1 0 289.419 3.302 20 10 CGCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CCOCC23CCC3)c1 ZINC001233286196 818568285 /nfs/dbraw/zinc/56/82/85/818568285.db2.gz JMQKZBPTVRFGSS-UHFFFAOYSA-N 1 0 289.419 3.445 20 10 CGCDRO CCC[N@H+](Cc1c([O-])ccc(F)c1F)C1CCOCC1 ZINC001233335936 818588854 /nfs/dbraw/zinc/58/88/54/818588854.db2.gz RROZQXUQFOEVET-UHFFFAOYSA-N 1 0 285.334 3.061 20 10 CGCDRO Oc1cc(C(F)(F)F)ccc1C[NH+]1CCC(F)CC1 ZINC001233452443 818622874 /nfs/dbraw/zinc/62/28/74/818622874.db2.gz WRWNKJBSTUMAHG-UHFFFAOYSA-N 1 0 277.261 3.345 20 10 CGCDRO C[N@H+](Cc1ccncc1)Cc1ccc(C(F)(F)F)cc1O ZINC001233452114 818623131 /nfs/dbraw/zinc/62/31/31/818623131.db2.gz LFNOPJFHKNZELY-UHFFFAOYSA-N 1 0 296.292 3.438 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233451991 818623181 /nfs/dbraw/zinc/62/31/81/818623181.db2.gz HIPFFLTZSAFFSP-SECBINFHSA-N 1 0 259.271 3.253 20 10 CGCDRO Oc1cc(C(F)(F)F)ccc1C[N@@H+]1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001233452503 818623984 /nfs/dbraw/zinc/62/39/84/818623984.db2.gz YZXWDCXQOXLAEM-DLOVCJGASA-N 1 0 289.272 3.201 20 10 CGCDRO CCCCC1CC[NH+](Cc2cc(O)c(O)cc2O)CC1 ZINC001233483517 818625496 /nfs/dbraw/zinc/62/54/96/818625496.db2.gz BTLXISTZXHSCAI-UHFFFAOYSA-N 1 0 279.380 3.206 20 10 CGCDRO CC(C)C[N@H+](C)Cc1cccc(OC(F)(F)F)c1O ZINC001233728649 818692118 /nfs/dbraw/zinc/69/21/18/818692118.db2.gz YBWBODTXTHKDNB-UHFFFAOYSA-N 1 0 277.286 3.379 20 10 CGCDRO CC[NH+]1CCN(c2ccc(O[C@H]3C[C@H]4C=C[C@@H]3C4)cc2)CC1 ZINC001234658052 818908045 /nfs/dbraw/zinc/90/80/45/818908045.db2.gz SBKPDNBZKIEIGZ-FCEWJHQRSA-N 1 0 298.430 3.172 20 10 CGCDRO COC[C@H]1CC[N@@H+]1Cc1cccc(-c2ccccc2)c1O ZINC001235001256 818974245 /nfs/dbraw/zinc/97/42/45/818974245.db2.gz UCQXWRBEGDVWOV-MRXNPFEDSA-N 1 0 283.371 3.280 20 10 CGCDRO Oc1ccc(Cl)cc1CN1CCCC[C@@]12CCC[NH2+]C2 ZINC001235169656 819022960 /nfs/dbraw/zinc/02/29/60/819022960.db2.gz BZQGTCASHXFQCA-INIZCTEOSA-N 1 0 294.826 3.154 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2ccc(C(C)(C)C)cc2O)C[C@]1(C)O ZINC001235676309 819137410 /nfs/dbraw/zinc/13/74/10/819137410.db2.gz PUAWDCOCJNCVBM-ACJLOTCBSA-N 1 0 291.435 3.283 20 10 CGCDRO C[C@H]1CC[C@H]([NH3+])CN1Cc1ccc(C(C)(C)C)cc1O ZINC001235902873 819211710 /nfs/dbraw/zinc/21/17/10/819211710.db2.gz GWCLJASQRNDVBG-WFASDCNBSA-N 1 0 276.424 3.001 20 10 CGCDRO CCC[C@H]1CN(Cc2c(C)n(C)c3ccccc32)CC[NH2+]1 ZINC001236178287 819357075 /nfs/dbraw/zinc/35/70/75/819357075.db2.gz IZZJQWZCSYONJV-HNNXBMFYSA-N 1 0 285.435 3.061 20 10 CGCDRO C[C@@H]1[C@@H]([NH3+])CCCN1Cc1cccc(-c2ccccc2)c1O ZINC001236417500 819464011 /nfs/dbraw/zinc/46/40/11/819464011.db2.gz FDGUYZWUOPVGMX-KDOFPFPSSA-N 1 0 296.414 3.371 20 10 CGCDRO COc1cc(O)c(C[NH+]2[C@@H](C)CCC[C@@H]2C)cc1OC ZINC001236750401 819589761 /nfs/dbraw/zinc/58/97/61/819589761.db2.gz MACAGKCYABCDPS-RYUDHWBXSA-N 1 0 279.380 3.172 20 10 CGCDRO COc1cc(O)c(C[NH+](C(C)C)C(C)C)cc1OC ZINC001236751265 819590568 /nfs/dbraw/zinc/59/05/68/819590568.db2.gz RZKKKNNKMNSAHF-UHFFFAOYSA-N 1 0 267.369 3.028 20 10 CGCDRO CCc1ccc(C[N@H+](C)C2CC(F)(F)C2)c(O)c1 ZINC001236783840 819593955 /nfs/dbraw/zinc/59/39/55/819593955.db2.gz ORKZQPRFHNAJML-UHFFFAOYSA-N 1 0 255.308 3.184 20 10 CGCDRO CCc1ccc(C[N@@H+]2CC[C@H](Oc3cccnc3)C2)c(O)c1 ZINC001236789766 819595591 /nfs/dbraw/zinc/59/55/91/819595591.db2.gz RCCVGYYAOXCHQU-KRWDZBQOSA-N 1 0 298.386 3.003 20 10 CGCDRO CCc1ccc(C[N@@H+]2CC[C@H](c3ccccn3)C2)c(O)c1 ZINC001236795196 819597603 /nfs/dbraw/zinc/59/76/03/819597603.db2.gz ROORZWOAPKQBNY-HNNXBMFYSA-N 1 0 282.387 3.339 20 10 CGCDRO COc1cc(C)c(C[NH+]2CCC(C)(C)CC2)c(O)c1 ZINC001236812406 819603937 /nfs/dbraw/zinc/60/39/37/819603937.db2.gz DFBYJPRIINQBDQ-UHFFFAOYSA-N 1 0 263.381 3.331 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CC[C@H](c3ccccn3)C2)c(O)c1 ZINC001236813405 819603978 /nfs/dbraw/zinc/60/39/78/819603978.db2.gz KELLATPBSWTORI-AWEZNQCLSA-N 1 0 298.386 3.094 20 10 CGCDRO COc1cc(C)c(C[N@H+](C)CC(C)(C)C)c(O)c1 ZINC001236815024 819605863 /nfs/dbraw/zinc/60/58/63/819605863.db2.gz ZYPINGXARPJUEW-UHFFFAOYSA-N 1 0 251.370 3.187 20 10 CGCDRO C[N@H+](Cc1cc2ccccc2cc1O)C1CCOCC1 ZINC001236826093 819607554 /nfs/dbraw/zinc/60/75/54/819607554.db2.gz GRPOATXENBHGDV-UHFFFAOYSA-N 1 0 271.360 3.156 20 10 CGCDRO Oc1cc2ccccc2cc1C[NH+]1CCN(C2CCC2)CC1 ZINC001236825723 819608089 /nfs/dbraw/zinc/60/80/89/819608089.db2.gz DRKWFQVBBXWLDH-UHFFFAOYSA-N 1 0 296.414 3.216 20 10 CGCDRO CCN1CCC[N@H+](Cc2cc3ccccc3cc2O)CC1 ZINC001236827208 819609483 /nfs/dbraw/zinc/60/94/83/819609483.db2.gz RESMXRIVEHFQHB-UHFFFAOYSA-N 1 0 284.403 3.073 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2cc3ccccc3cc2O)CCC[C@@H]1O ZINC001236826742 819609858 /nfs/dbraw/zinc/60/98/58/819609858.db2.gz MEDRKNNBZKOTDW-DYVFJYSZSA-N 1 0 285.387 3.138 20 10 CGCDRO CN1C[C@@H]2CCC[N@H+](Cc3cc4ccccc4cc3O)[C@@H]2C1 ZINC001236833169 819613858 /nfs/dbraw/zinc/61/38/58/819613858.db2.gz PDXBOYOGDWLDRE-FUHWJXTLSA-N 1 0 296.414 3.071 20 10 CGCDRO CCCOC1CC[NH+](Cc2ccc(OCC)cc2O)CC1 ZINC001237041453 819649148 /nfs/dbraw/zinc/64/91/48/819649148.db2.gz JYZMPMAXWUARRE-UHFFFAOYSA-N 1 0 293.407 3.182 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2CCC[C@@H](C)[C@H]2CO)c(O)c1 ZINC001237046181 819649798 /nfs/dbraw/zinc/64/97/98/819649798.db2.gz RASTYKPKKPKCDJ-CZUORRHYSA-N 1 0 277.408 3.108 20 10 CGCDRO CCN1CCC[N@H+](Cc2ccc(C(C)C)cc2O)CC1 ZINC001237046592 819650895 /nfs/dbraw/zinc/65/08/95/819650895.db2.gz UEZAZYFFWRZYJL-UHFFFAOYSA-N 1 0 276.424 3.043 20 10 CGCDRO CC1(C)C[NH+](Cc2ccc(OCC(F)(F)F)cc2O)C1 ZINC001237050402 819652714 /nfs/dbraw/zinc/65/27/14/819652714.db2.gz BBCFNCNRVLVJHG-UHFFFAOYSA-N 1 0 289.297 3.175 20 10 CGCDRO CC(C)[N@H+](CCCO)Cc1cc(C(F)(F)F)ccc1O ZINC001237139287 819677166 /nfs/dbraw/zinc/67/71/66/819677166.db2.gz KCZSZDBERFHNIV-UHFFFAOYSA-N 1 0 291.313 3.004 20 10 CGCDRO CC[N@H+](Cc1cc(O)cc(F)c1)Cc1ccccc1O ZINC001237284010 819717796 /nfs/dbraw/zinc/71/77/96/819717796.db2.gz QPRZYQYQASHWDA-UHFFFAOYSA-N 1 0 275.323 3.259 20 10 CGCDRO Cc1cccc(O)c1C[N@H+](C)CCOc1ccccc1 ZINC001237489589 819761933 /nfs/dbraw/zinc/76/19/33/819761933.db2.gz IXRVAZHXZJSKLE-UHFFFAOYSA-N 1 0 271.360 3.211 20 10 CGCDRO Cc1cccc(O)c1C[NH+]1CCC(Oc2ccncc2)CC1 ZINC001237484508 819761962 /nfs/dbraw/zinc/76/19/62/819761962.db2.gz DOGSYPCXHPJJIK-UHFFFAOYSA-N 1 0 298.386 3.139 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCCC(F)(F)[C@H](F)C1 ZINC001237486191 819762409 /nfs/dbraw/zinc/76/24/09/819762409.db2.gz WZJIZPAASVNWKR-CYBMUJFWSA-N 1 0 273.298 3.270 20 10 CGCDRO Cc1cc(O)c(C[N@H+](C)CC2CC2)cc1Br ZINC001237678517 819803165 /nfs/dbraw/zinc/80/31/65/819803165.db2.gz ZZMBSAJADWUKEA-UHFFFAOYSA-N 1 0 284.197 3.305 20 10 CGCDRO CCC[N@H+](Cc1cc(OC)cc(OC)c1O)[C@@H](C)CC ZINC001237674924 819804796 /nfs/dbraw/zinc/80/47/96/819804796.db2.gz NHZAHQFCUVXFJF-LBPRGKRZSA-N 1 0 281.396 3.420 20 10 CGCDRO Cc1cc(F)cc(C[N@H+](C)Cc2cccc(O)c2)c1O ZINC001238057752 819918541 /nfs/dbraw/zinc/91/85/41/819918541.db2.gz MEQQZYMAGDXPJX-UHFFFAOYSA-N 1 0 275.323 3.177 20 10 CGCDRO Cc1cc(F)cc(C[N@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)c1O ZINC001238059536 819920687 /nfs/dbraw/zinc/92/06/87/819920687.db2.gz DMRVJTVRXJNRIQ-TXEJJXNPSA-N 1 0 285.309 3.317 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(-c2cncc(C[NH3+])c2)cn1 ZINC001239799471 820614374 /nfs/dbraw/zinc/61/43/74/820614374.db2.gz VYBIXFDNUHUICD-UHFFFAOYSA-N 1 0 278.359 3.010 20 10 CGCDRO Cc1cc(N2CCCCC2)ccc1C1=CC[NH2+]CC1 ZINC001240470141 821078548 /nfs/dbraw/zinc/07/85/48/821078548.db2.gz BHCZQOFRXFZDQA-UHFFFAOYSA-N 1 0 256.393 3.362 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(C2=CCC[NH2+]C2)cc1 ZINC001240664299 821226132 /nfs/dbraw/zinc/22/61/32/821226132.db2.gz IVPJPKIKZUYRHZ-UHFFFAOYSA-N 1 0 252.361 3.471 20 10 CGCDRO C[C@@H]([NH2+]CCc1ccc(N(C)C)cc1)c1ccccc1O ZINC001342181368 936461823 /nfs/dbraw/zinc/46/18/23/936461823.db2.gz SJWHOXDHELVSAW-CQSZACIVSA-N 1 0 284.403 3.352 20 10 CGCDRO CC[C@@H]1OCC[C@H]1[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC001345076113 936800308 /nfs/dbraw/zinc/80/03/08/936800308.db2.gz DADSFIJPQFOLSB-BHPKHCPMSA-N 1 0 275.392 3.406 20 10 CGCDRO CO[C@H]1CC[C@@H]([NH2+]Cc2cc(Cl)c(C)cc2O)C1 ZINC001347393979 936882288 /nfs/dbraw/zinc/88/22/88/936882288.db2.gz FWFZQYCHWXABOM-NEPJUHHUSA-N 1 0 269.772 3.011 20 10 CGCDRO CCO[C@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3C)C1 ZINC001350154560 936981250 /nfs/dbraw/zinc/98/12/50/936981250.db2.gz LNSQXXBTDINUBG-AAVRWANBSA-N 1 0 275.392 3.406 20 10 CGCDRO CN(C)c1ccc(C[N@H+](Cc2ccc(N)cc2)C2CC2)cc1 ZINC001352789690 937049630 /nfs/dbraw/zinc/04/96/30/937049630.db2.gz YZHZSKCGYNGHFA-UHFFFAOYSA-N 1 0 295.430 3.499 20 10 CGCDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(N)cc2)c2cc(N)ccc2O1 ZINC001352789977 937049658 /nfs/dbraw/zinc/04/96/58/937049658.db2.gz MFMOJLAEGKZSIT-MRXNPFEDSA-N 1 0 297.402 3.243 20 10 CGCDRO COc1ccc(C[NH+]2C3CCCC2CCC3)c(O)c1OC ZINC001355225809 937130718 /nfs/dbraw/zinc/13/07/18/937130718.db2.gz JYTBCCCEWFEPJF-UHFFFAOYSA-N 1 0 291.391 3.316 20 10 CGCDRO COc1ccccc1C[C@@H](C)[NH2+]Cc1ccccc1O ZINC000037778535 928693662 /nfs/dbraw/zinc/69/36/62/928693662.db2.gz AJXMXHZXGQXNNF-CYBMUJFWSA-N 1 0 271.360 3.122 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)[C@H]2CC2(C)C)c1 ZINC000397595516 928803343 /nfs/dbraw/zinc/80/33/43/928803343.db2.gz DILMRYXWBOKRPJ-MISXGVKJSA-N 1 0 263.381 3.486 20 10 CGCDRO COc1cc(C)c(C[NH2+]C[C@@H]2CCC[C@H]3C[C@H]32)c(O)c1 ZINC001462437219 937641254 /nfs/dbraw/zinc/64/12/54/937641254.db2.gz FHFUWASPSFFFPU-KCQAQPDRSA-N 1 0 275.392 3.235 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+]CC2(CO)CCCC2)c1 ZINC001462438071 937641422 /nfs/dbraw/zinc/64/14/22/937641422.db2.gz NGRQAZMEXSUTPY-UHFFFAOYSA-N 1 0 277.408 3.158 20 10 CGCDRO COc1ccc(N2CC[NH+](CCC(C)(C)C)CC2)cc1F ZINC001307573227 932972017 /nfs/dbraw/zinc/97/20/17/932972017.db2.gz FGRATUFQLXILOK-UHFFFAOYSA-N 1 0 294.414 3.393 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+][C@H]2C[C@@H](C)O[C@H]2C)c1 ZINC001462504201 937646033 /nfs/dbraw/zinc/64/60/33/937646033.db2.gz KSZYPPFTWOCQJL-XUJVJEKNSA-N 1 0 263.381 3.171 20 10 CGCDRO CCCOc1ccc(C[NH2+]C[C@@H]2CCC[C@H](O)C2)cc1C ZINC001308281313 933087210 /nfs/dbraw/zinc/08/72/10/933087210.db2.gz AKQJADRKQFDMBO-WBVHZDCISA-N 1 0 291.435 3.425 20 10 CGCDRO CC1=CC[N@H+](C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC001308618086 933142651 /nfs/dbraw/zinc/14/26/51/933142651.db2.gz GFQSTAQUIVNSGJ-PLNGDYQASA-N 1 0 256.393 3.418 20 10 CGCDRO Oc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC001308626416 933145467 /nfs/dbraw/zinc/14/54/67/933145467.db2.gz AXIQDKAIBAYQDG-LLVKDONJSA-N 1 0 291.782 3.148 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CC(C)(C)[C@H]2C2CC2)c1O ZINC001308805339 933180533 /nfs/dbraw/zinc/18/05/33/933180533.db2.gz WRQFKMUHDSIQOV-MRXNPFEDSA-N 1 0 275.392 3.330 20 10 CGCDRO COc1cc(C)cc(C[NH2+]Cc2cccc3[nH]ccc32)c1O ZINC001308913503 933203504 /nfs/dbraw/zinc/20/35/04/933203504.db2.gz QRIIIIGBAQZLBB-UHFFFAOYSA-N 1 0 296.370 3.480 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC001320411273 934045810 /nfs/dbraw/zinc/04/58/10/934045810.db2.gz LDCYTRDFDPVLBH-UXIGCNINSA-N 1 0 297.402 3.119 20 10 CGCDRO C[N@H+](CCOCC1CC1)Cc1ccc(N2CCCC2)cc1 ZINC001323321296 934387274 /nfs/dbraw/zinc/38/72/74/934387274.db2.gz HCIMWJAOFLZSEF-UHFFFAOYSA-N 1 0 288.435 3.145 20 10 CGCDRO CO[C@]1(C)C[C@@H]([N@H+](C)Cc2ccc(N(C)C)cc2)C1(C)C ZINC001473187886 937796497 /nfs/dbraw/zinc/79/64/97/937796497.db2.gz UFAXMPKWVSCCNR-SJLPKXTDSA-N 1 0 290.451 3.388 20 10 CGCDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2CCC[C@@H](F)C2)cc1F ZINC001329157878 935191091 /nfs/dbraw/zinc/19/10/91/935191091.db2.gz APROPDAPCCZSFE-VXGBXAGGSA-N 1 0 286.341 3.401 20 10 CGCDRO COc1cc(C[NH2+]Cc2cc(C)ccc2O)ccc1F ZINC001329529924 935224731 /nfs/dbraw/zinc/22/47/31/935224731.db2.gz JLCBJWDFUUPPSF-UHFFFAOYSA-N 1 0 275.323 3.138 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCC[C@H](F)C2)cc1 ZINC001332434655 935469288 /nfs/dbraw/zinc/46/92/88/935469288.db2.gz CYALVXDQWJMBJM-KBPBESRZSA-N 1 0 250.361 3.123 20 10 CGCDRO CC[N@H+](Cc1ccc(N2CCOCC2)cc1)C(C)(C)C ZINC001332762894 935488264 /nfs/dbraw/zinc/48/82/64/935488264.db2.gz WVQUURCQEUZHRP-UHFFFAOYSA-N 1 0 276.424 3.144 20 10 CGCDRO Nc1ccc(C[N@H+](CCO)[C@@H]2CCCc3ccccc32)cc1 ZINC001335284933 936137411 /nfs/dbraw/zinc/13/74/11/936137411.db2.gz IHYJKNBEBSHPCZ-LJQANCHMSA-N 1 0 296.414 3.141 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(-c2cc[nH]n2)o1)c1ccccc1O ZINC001474253928 937846626 /nfs/dbraw/zinc/84/66/26/937846626.db2.gz ZBEVVJOCNQIOGW-LLVKDONJSA-N 1 0 283.331 3.226 20 10 CGCDRO COc1nsc(C[NH2+][C@@H](C)c2ccccc2O)c1Cl ZINC001474252984 937846863 /nfs/dbraw/zinc/84/68/63/937846863.db2.gz DOIPSWBTJDXYKW-QMMMGPOBSA-N 1 0 298.795 3.362 20 10 CGCDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2C[C@H]3CCC[C@@H]32)cc1F ZINC001474293641 937848559 /nfs/dbraw/zinc/84/85/59/937848559.db2.gz CQNSLGVTCDULMX-IFUGULHKSA-N 1 0 280.362 3.309 20 10 CGCDRO COc1cc(O)c(C[NH2+][C@@H]2CC[C@H](C)[C@H](C)C2)cc1OC ZINC001474427857 937859186 /nfs/dbraw/zinc/85/91/86/937859186.db2.gz MZMRLDCCOYCVBQ-OUCADQQQSA-N 1 0 293.407 3.324 20 10 CGCDRO C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001560590326 938264347 /nfs/dbraw/zinc/26/43/47/938264347.db2.gz SCPIRRDEODLFGC-RFHZTLPTSA-N 1 0 294.389 3.413 20 10 CGCDRO CC[C@@]1(C)C[N@H+](C/C=C/c2ccc(N(C)C)cc2)CCO1 ZINC001560761176 938274431 /nfs/dbraw/zinc/27/44/31/938274431.db2.gz BJFBHGFWXQORJW-DKFQHHCZSA-N 1 0 288.435 3.267 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C)[C@@H]1CCCCO1 ZINC001560908179 938283244 /nfs/dbraw/zinc/28/32/44/938283244.db2.gz IGVGZYNCHSFJET-MSOLQXFVSA-N 1 0 290.451 3.498 20 10 CGCDRO Oc1cc(Cl)ccc1C[NH2+]Cc1noc2ccccc12 ZINC001561004296 938288676 /nfs/dbraw/zinc/28/86/76/938288676.db2.gz WPKGIAKGQUDIMI-UHFFFAOYSA-N 1 0 288.734 3.477 20 10 CGCDRO CC[N@H+](Cc1ccccc1O)Cc1cc(OC)ccc1O ZINC001203680050 957891501 /nfs/dbraw/zinc/89/15/01/957891501.db2.gz AYQLKMQSEJWBDB-UHFFFAOYSA-N 1 0 287.359 3.129 20 10 CGCDRO Oc1c(Cl)cccc1CNc1ccc2c(c1)C[NH2+]C2 ZINC001580885575 960486220 /nfs/dbraw/zinc/48/62/20/960486220.db2.gz FIYMIGXSTPOPMC-UHFFFAOYSA-N 1 0 274.751 3.261 20 10 CGCDRO C[C@@H]1CCc2nc(C[NH2+]Cc3ccc(N)cc3)sc2C1 ZINC001576757918 962490353 /nfs/dbraw/zinc/49/03/53/962490353.db2.gz FEZZJMGKAPUKCK-LLVKDONJSA-N 1 0 287.432 3.140 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000179950785 346254123 /nfs/dbraw/zinc/25/41/23/346254123.db2.gz HKIYRJNYSCAPPV-LBPRGKRZSA-N 1 0 273.298 3.475 20 10 CGCDRO CCOc1cccc(C[NH2+]Cc2ccccc2O)c1 ZINC000037679337 369099428 /nfs/dbraw/zinc/09/94/28/369099428.db2.gz LCDUACJOLNBMTB-UHFFFAOYSA-N 1 0 257.333 3.081 20 10 CGCDRO COc1ccc([C@H](C)[NH2+]Cc2ccccc2O)cc1 ZINC000076262598 369935452 /nfs/dbraw/zinc/93/54/52/369935452.db2.gz XPRURIXFRIKDSQ-LBPRGKRZSA-N 1 0 257.333 3.252 20 10 CGCDRO Cc1cccc([C@H](O)C[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000090520245 370062188 /nfs/dbraw/zinc/06/21/88/370062188.db2.gz ILNYMBHBWDXANN-DNVCBOLYSA-N 1 0 298.430 3.445 20 10 CGCDRO CCOc1cccc(C[NH2+]CC(C)(C)SC)c1O ZINC000135385586 371422411 /nfs/dbraw/zinc/42/24/11/371422411.db2.gz RZWZOFVPRDVWBQ-UHFFFAOYSA-N 1 0 269.410 3.022 20 10 CGCDRO COCc1ccc([C@H]2CCC[N@@H+]2Cc2ccccc2O)o1 ZINC000137064066 371490872 /nfs/dbraw/zinc/49/08/72/371490872.db2.gz OEGKFKDSVCWYCK-OAHLLOKOSA-N 1 0 287.359 3.469 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCOC[C@H]2C)c(O)c1 ZINC000287457529 371660861 /nfs/dbraw/zinc/66/08/61/371660861.db2.gz LSAODDLMRQKDSB-RDBSUJKOSA-N 1 0 263.381 3.024 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2c3ccccc3O[C@H]2C)c1 ZINC000288425401 371736922 /nfs/dbraw/zinc/73/69/22/371736922.db2.gz BHHQRYKOIFBASS-SGTLLEGYSA-N 1 0 299.370 3.403 20 10 CGCDRO COCC(C)(C)C[NH2+][C@H](C)c1ccc(C)cc1O ZINC000293637089 372433521 /nfs/dbraw/zinc/43/35/21/372433521.db2.gz KNPMPMVLNBCKPM-GFCCVEGCSA-N 1 0 251.370 3.024 20 10 CGCDRO OCCC[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000293644040 372434338 /nfs/dbraw/zinc/43/43/38/372434338.db2.gz IHTZDUHDLHBBFA-QGZVFWFLSA-N 1 0 285.387 3.038 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC2CC(F)(F)C2)c1 ZINC000293788311 372482650 /nfs/dbraw/zinc/48/26/50/372482650.db2.gz UHCKTIXZEFFDSJ-SECBINFHSA-N 1 0 271.307 3.097 20 10 CGCDRO C[C@H](O)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000293794393 372485084 /nfs/dbraw/zinc/48/50/84/372485084.db2.gz QTYWORXYTGBKFJ-YOEHRIQHSA-N 1 0 285.387 3.037 20 10 CGCDRO C[C@@H]([NH2+]C[C@@](C)(O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000169136250 372625294 /nfs/dbraw/zinc/62/52/94/372625294.db2.gz STJKBXRVEOWLTN-DNVCBOLYSA-N 1 0 298.430 3.311 20 10 CGCDRO CCOCc1cc(C[NH2+][C@H](C)C2CC2)ccc1OC ZINC000295110453 372693021 /nfs/dbraw/zinc/69/30/21/372693021.db2.gz UXDPHFHXHYCKBJ-GFCCVEGCSA-N 1 0 263.381 3.120 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](C)CCCO)c(O)c1 ZINC000296349027 373100343 /nfs/dbraw/zinc/10/03/43/373100343.db2.gz IFXXMXBCRUOEDK-BXUZGUMPSA-N 1 0 265.397 3.068 20 10 CGCDRO Cc1noc(C)c1[C@H](C)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296819365 373248262 /nfs/dbraw/zinc/24/82/62/373248262.db2.gz MDJNMOXTRRFCMC-YGRLFVJLSA-N 1 0 286.375 3.378 20 10 CGCDRO CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296796760 373248353 /nfs/dbraw/zinc/24/83/53/373248353.db2.gz LIAZFPJCZVIRSF-CJNGLKHVSA-N 1 0 277.408 3.012 20 10 CGCDRO C[C@@H](CCO)CC[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000297338795 373265727 /nfs/dbraw/zinc/26/57/27/373265727.db2.gz OINWYPUSZQNBSI-GHMZBOCLSA-N 1 0 271.788 3.105 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]Cc1cc(F)ccc1F)CC2 ZINC000297906742 373283964 /nfs/dbraw/zinc/28/39/64/373283964.db2.gz WLCUIEFEUHWPIE-CQSZACIVSA-N 1 0 275.298 3.448 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]Cc1ccc(F)cc1F)CC2 ZINC000297951297 373285934 /nfs/dbraw/zinc/28/59/34/373285934.db2.gz YSPFXHYCPJVMQL-CQSZACIVSA-N 1 0 275.298 3.448 20 10 CGCDRO Cc1ccc([C@@H](O)C[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000179875835 373932937 /nfs/dbraw/zinc/93/29/37/373932937.db2.gz RIPZUEAFWKANFQ-DYVFJYSZSA-N 1 0 271.360 3.085 20 10 CGCDRO C[C@H]([NH2+]CCOc1cccc(F)c1)c1ccccc1O ZINC000179883358 373934479 /nfs/dbraw/zinc/93/44/79/373934479.db2.gz MBKLTDMKLODJIP-LBPRGKRZSA-N 1 0 275.323 3.261 20 10 CGCDRO C[C@@H](C[NH2+][C@@H](C)c1ccccc1O)N1CCC(C)CC1 ZINC000183468221 374417606 /nfs/dbraw/zinc/41/76/06/374417606.db2.gz CHSCDZGUYMOUSS-GJZGRUSLSA-N 1 0 276.424 3.163 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1COc2ccccc2C1)c1ccccc1O ZINC000183466902 374418588 /nfs/dbraw/zinc/41/85/88/374418588.db2.gz YUMQYRYHQUGYPS-OCCSQVGLSA-N 1 0 269.344 3.047 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCn3cccc3[C@H]2C)c1O ZINC000183511994 374423122 /nfs/dbraw/zinc/42/31/22/374423122.db2.gz SUJDXBQEKGIQIK-CYBMUJFWSA-N 1 0 256.349 3.079 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+](C)[C@@H](C)c2ccccn2)c1 ZINC000183677142 374440523 /nfs/dbraw/zinc/44/05/23/374440523.db2.gz PLXBDUMYNHFGRS-ZDUSSCGKSA-N 1 0 256.349 3.289 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CC(C)(C)OC1(C)C)c1ccccc1O ZINC000183714573 374444469 /nfs/dbraw/zinc/44/44/69/374444469.db2.gz KDGLQZOTSMJODG-RISCZKNCSA-N 1 0 263.381 3.389 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+](C)[C@H](C)c2ccncc2)c1 ZINC000183712191 374445125 /nfs/dbraw/zinc/44/51/25/374445125.db2.gz AXTZPRGJBJDYFW-CYBMUJFWSA-N 1 0 256.349 3.289 20 10 CGCDRO C[C@@H]([NH2+]CCCn1cccn1)c1cc2c(cc1O)CCCC2 ZINC000184957306 374573609 /nfs/dbraw/zinc/57/36/09/374573609.db2.gz FUSLQYASHDWSHQ-CQSZACIVSA-N 1 0 299.418 3.208 20 10 CGCDRO CC[C@H](C[NH2+][C@H](C)c1cc(C)ccc1O)N1CCCC1 ZINC000184990712 374575463 /nfs/dbraw/zinc/57/54/63/374575463.db2.gz YKDJWIFCZKLGIE-HUUCEWRRSA-N 1 0 276.424 3.226 20 10 CGCDRO COCCC1(C[NH2+][C@H](C)c2ccc(C)cc2O)CC1 ZINC000186134426 374802395 /nfs/dbraw/zinc/80/23/95/374802395.db2.gz DOGODSTZIQPXEC-CYBMUJFWSA-N 1 0 263.381 3.168 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@H]2CCCO[C@@H]2CC(C)C)c1 ZINC000187680342 375071688 /nfs/dbraw/zinc/07/16/88/375071688.db2.gz ADEPVLBDJKHMHQ-DOTOQJQBSA-N 1 0 293.407 3.084 20 10 CGCDRO CN(C)c1ccc(C[N@H+](CCCCCCO)C2CC2)cc1 ZINC000267549244 378041737 /nfs/dbraw/zinc/04/17/37/378041737.db2.gz XLTHRMJRUBDDSB-UHFFFAOYSA-N 1 0 290.451 3.270 20 10 CGCDRO C[C@@H]([NH2+]CC[C@H](C)O)c1ccc(N2CCCCCC2)cc1 ZINC000268874820 378137675 /nfs/dbraw/zinc/13/76/75/378137675.db2.gz JWKOREINILGEHB-JKSUJKDBSA-N 1 0 290.451 3.489 20 10 CGCDRO C[C@]1([NH2+]Cc2cc(-c3ccccc3)ccc2O)CCOC1 ZINC000270159268 378315836 /nfs/dbraw/zinc/31/58/36/378315836.db2.gz TYWIETUXJOEVRT-SFHVURJKSA-N 1 0 283.371 3.328 20 10 CGCDRO COc1ccc(O)c(C[N@H+](C)C2Cc3ccccc3C2)c1 ZINC000271696139 378501155 /nfs/dbraw/zinc/50/11/55/378501155.db2.gz BBZKULQNQZTVDX-UHFFFAOYSA-N 1 0 283.371 3.000 20 10 CGCDRO COCC[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccco1 ZINC000272400787 378628671 /nfs/dbraw/zinc/62/86/71/378628671.db2.gz AXWSVNUHYBPRAB-HNNXBMFYSA-N 1 0 287.359 3.082 20 10 CGCDRO Cc1noc(C)c1C[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000273301189 378740072 /nfs/dbraw/zinc/74/00/72/378740072.db2.gz BNTYHHFOWCZYSK-NSHDSACASA-N 1 0 274.364 3.465 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@H](C)C2)c(O)c1C ZINC000273355718 378741883 /nfs/dbraw/zinc/74/18/83/378741883.db2.gz CMQFZRPXJKPZFR-FPMFFAJLSA-N 1 0 263.381 3.227 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2c3ccccc3C[C@@H]2O)c(O)c1C ZINC000273397583 378743944 /nfs/dbraw/zinc/74/39/44/378743944.db2.gz MGBGGVWGSSNOFS-JEBQAFNWSA-N 1 0 297.398 3.318 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](CO)CC(C)C)c(O)c1C ZINC000273411980 378746156 /nfs/dbraw/zinc/74/61/56/378746156.db2.gz PXIQZJVTGALSPR-ZIAGYGMSSA-N 1 0 265.397 3.067 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCSC1)c1cc2c(cc1O)CCCC2 ZINC000273476820 378747448 /nfs/dbraw/zinc/74/74/48/378747448.db2.gz LAPAYAFTNSQOFB-BXUZGUMPSA-N 1 0 277.433 3.427 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCCCO2)c(O)c1 ZINC000273467842 378747468 /nfs/dbraw/zinc/74/74/68/378747468.db2.gz JGBBPFXIJGADMZ-XEZPLFJOSA-N 1 0 263.381 3.309 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCSC1)c1cc2c(cc1O)CCCC2 ZINC000273476822 378748846 /nfs/dbraw/zinc/74/88/46/378748846.db2.gz LAPAYAFTNSQOFB-FZMZJTMJSA-N 1 0 277.433 3.427 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[C@H]2O)c(O)c1C ZINC000273550360 378752251 /nfs/dbraw/zinc/75/22/51/378752251.db2.gz FSLQHCVFYHOTQE-OFQRWUPVSA-N 1 0 277.408 3.211 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCCOC(C)(C)C2)cc1C ZINC000371733080 379174389 /nfs/dbraw/zinc/17/43/89/379174389.db2.gz RVEMEZPVWWFUNM-UHFFFAOYSA-N 1 0 263.381 3.010 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C[C@@]2(C)CCO[C@H]2C2CC2)cc1 ZINC000373353847 379265081 /nfs/dbraw/zinc/26/50/81/379265081.db2.gz LLWGGIJIVYGVTJ-ZWKOTPCHSA-N 1 0 288.435 3.047 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCC[C@H]2CCO)c(O)c1 ZINC000285407066 380147531 /nfs/dbraw/zinc/14/75/31/380147531.db2.gz XMAJSVIITJFQEA-SOUVJXGZSA-N 1 0 277.408 3.211 20 10 CGCDRO CCc1ccc([C@H](O)C[NH2+]Cc2cc(C)ccc2O)cc1 ZINC000285433624 380148288 /nfs/dbraw/zinc/14/82/88/380148288.db2.gz HRVOKYDHSJDTJH-GOSISDBHSA-N 1 0 285.387 3.086 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCC[C@H](C)CO)c(O)c1 ZINC000285341928 380148326 /nfs/dbraw/zinc/14/83/26/380148326.db2.gz UURRTMODMBRURG-SMDDNHRTSA-N 1 0 265.397 3.068 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCc3nc(C)ncc3C2)c(O)c1 ZINC000363864731 382258926 /nfs/dbraw/zinc/25/89/26/382258926.db2.gz MLNZTVCCDXEPOK-SWLSCSKDSA-N 1 0 297.402 3.007 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCc3nc(C)ncc3C2)c(O)c1 ZINC000363864729 382259631 /nfs/dbraw/zinc/25/96/31/382259631.db2.gz MLNZTVCCDXEPOK-IUODEOHRSA-N 1 0 297.402 3.007 20 10 CGCDRO COC1(C[NH2+][C@H](C)c2ccccc2O)CCCCC1 ZINC000186508316 262095658 /nfs/dbraw/zinc/09/56/58/262095658.db2.gz SOLOIWGBIAOEAV-CYBMUJFWSA-N 1 0 263.381 3.392 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]CCc1ccsc1)CC2 ZINC000295836080 224607708 /nfs/dbraw/zinc/60/77/08/224607708.db2.gz FISXDKMDKWAJRO-CYBMUJFWSA-N 1 0 259.374 3.273 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@@H]1CCC(F)(F)C1)CC2 ZINC000296228564 285396732 /nfs/dbraw/zinc/39/67/32/285396732.db2.gz AIMNEFUMDKACSJ-PWSUYJOCSA-N 1 0 267.319 3.405 20 10 CGCDRO Oc1cccc(Cl)c1C[NH+]1CCC(n2ccnc2)CC1 ZINC000122571013 392423218 /nfs/dbraw/zinc/42/32/18/392423218.db2.gz FOOFZAVDUYOSLM-UHFFFAOYSA-N 1 0 291.782 3.079 20 10 CGCDRO CC1(C)Cc2cc(C[NH2+]Cc3ccccc3O)ccc2O1 ZINC000134397973 392466271 /nfs/dbraw/zinc/46/62/71/392466271.db2.gz HZBNTWRJCXVJNQ-UHFFFAOYSA-N 1 0 283.371 3.396 20 10 CGCDRO CCc1cc(NCc2ccc(N(C)C)cc2C)nc(C)n1 ZINC000302069886 392608908 /nfs/dbraw/zinc/60/89/08/392608908.db2.gz XXQZBJUBXKBKDX-UHFFFAOYSA-N 1 0 284.407 3.334 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)cc1C ZINC000374154940 392671061 /nfs/dbraw/zinc/67/10/61/392671061.db2.gz BHVWJCRLWGCVAP-OIISXLGYSA-N 1 0 289.419 3.302 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C(C)(C)c2nccs2)cc1C ZINC000174403371 392640697 /nfs/dbraw/zinc/64/06/97/392640697.db2.gz HSEOQJRLTUENNF-UHFFFAOYSA-N 1 0 276.405 3.490 20 10 CGCDRO COC[C@H]([NH2+]Cc1cc(C)ccc1O)c1ccc(C)o1 ZINC000177565835 392662441 /nfs/dbraw/zinc/66/24/41/392662441.db2.gz BBAKIQYJFJZCCU-AWEZNQCLSA-N 1 0 275.348 3.079 20 10 CGCDRO CSC1(C[NH2+][C@@H](C)c2ccccc2O)CCC1 ZINC000193810769 392886753 /nfs/dbraw/zinc/88/67/53/392886753.db2.gz PVKLIZCAKXDKPU-NSHDSACASA-N 1 0 251.395 3.329 20 10 CGCDRO COC(=O)[C@H]1CC[C@@H]([NH2+][C@H](C)c2cc(Cl)ccc2O)C1 ZINC000193877423 392888192 /nfs/dbraw/zinc/88/81/92/392888192.db2.gz VVWDDVJXWXRVOW-JFGNBEQYSA-N 1 0 297.782 3.038 20 10 CGCDRO Cc1nc2ccccc2n1CC[NH2+]Cc1cc(C)ccc1O ZINC000237760838 393035869 /nfs/dbraw/zinc/03/58/69/393035869.db2.gz VDHLQQNZPLSQLH-UHFFFAOYSA-N 1 0 295.386 3.149 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H](CCO)c2ccccc2)c(O)c1 ZINC000273611397 393275463 /nfs/dbraw/zinc/27/54/63/393275463.db2.gz VXQLNSFBMXQTNC-WMLDXEAASA-N 1 0 285.387 3.475 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](CC)c1ccc(C)cc1O)[C@H](O)C(F)F ZINC000296484101 286923114 /nfs/dbraw/zinc/92/31/14/286923114.db2.gz OJVFJDCUOUCDKF-SCRDCRAPSA-N 1 0 287.350 3.146 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](c2ccco2)N(C)C)c(O)c1 ZINC000020122443 171002671 /nfs/dbraw/zinc/00/26/71/171002671.db2.gz IOVXRJGDZPIRTL-DZGCQCFKSA-N 1 0 288.391 3.247 20 10 CGCDRO CCC(CC)[C@@H](C[NH2+][C@H](C)c1ccccc1O)N(C)C ZINC000020202045 171066138 /nfs/dbraw/zinc/06/61/38/171066138.db2.gz SHFBIMDPLUOHPR-CZUORRHYSA-N 1 0 278.440 3.409 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)c2ccccc2)c1 ZINC000035629067 172309145 /nfs/dbraw/zinc/30/91/45/172309145.db2.gz RPCRUNDGVBZWTC-CXAGYDPISA-N 1 0 271.360 3.085 20 10 CGCDRO CC[C@@H]([NH2+]Cc1nc(C)cs1)c1ccccc1O ZINC000038090700 174104121 /nfs/dbraw/zinc/10/41/21/174104121.db2.gz DKJOGKRNUWYQPJ-GFCCVEGCSA-N 1 0 262.378 3.398 20 10 CGCDRO COCc1ccccc1C[NH2+][C@@H](C)c1ccccc1O ZINC000037762708 260116679 /nfs/dbraw/zinc/11/66/79/260116679.db2.gz GTYNGVBCMBQMNW-ZDUSSCGKSA-N 1 0 271.360 3.389 20 10 CGCDRO C[C@H](CO)C[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000151744253 261055074 /nfs/dbraw/zinc/05/50/74/261055074.db2.gz OOFCCDRALNCWKL-HOTGVXAUSA-N 1 0 290.451 3.346 20 10 CGCDRO CC[C@@H](CO)[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000151805979 261055496 /nfs/dbraw/zinc/05/54/96/261055496.db2.gz DPCFIGJYOIWIOG-HIFRSBDPSA-N 1 0 294.414 3.238 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H](CC)N1CCCC1)c1ccccc1O ZINC000155087681 261097797 /nfs/dbraw/zinc/09/77/97/261097797.db2.gz XCVHVPPIEVTMKU-GOEBONIOSA-N 1 0 276.424 3.307 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](O)C1CCCCC1)c1ccccc1O ZINC000155602702 261104559 /nfs/dbraw/zinc/10/45/59/261104559.db2.gz ILSBVWNDSRRAFG-DOTOQJQBSA-N 1 0 277.408 3.374 20 10 CGCDRO CCOC(C)(C)C[NH2+][C@@H](CC)c1ccccc1O ZINC000159231164 261181532 /nfs/dbraw/zinc/18/15/32/261181532.db2.gz AQEHSBOCDQGORE-ZDUSSCGKSA-N 1 0 251.370 3.248 20 10 CGCDRO COc1ccc(O)c(C[N@H+](C)[C@H](C)c2cccc(O)c2)c1 ZINC000180178941 261845372 /nfs/dbraw/zinc/84/53/72/261845372.db2.gz UFSIUFPOUHVTOH-GFCCVEGCSA-N 1 0 287.359 3.299 20 10 CGCDRO COc1cccc(C[NH2+][C@H](C)c2ccccc2O)c1OC ZINC000183431797 261975238 /nfs/dbraw/zinc/97/52/38/261975238.db2.gz PSNDAHGOHQYSMG-GFCCVEGCSA-N 1 0 287.359 3.260 20 10 CGCDRO C[C@@H](c1cccnc1)[N@H+](C)Cc1cc(F)ccc1O ZINC000183724114 261985848 /nfs/dbraw/zinc/98/58/48/261985848.db2.gz NQIHYEFXBPXOIJ-NSHDSACASA-N 1 0 260.312 3.119 20 10 CGCDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000184985382 262035697 /nfs/dbraw/zinc/03/56/97/262035697.db2.gz DVCXQLKOQYGTIJ-WCQYABFASA-N 1 0 279.380 3.030 20 10 CGCDRO CC[C@@H](C[NH2+][C@H](C)c1cc(F)ccc1O)N1CCCC1 ZINC000184991199 262037032 /nfs/dbraw/zinc/03/70/32/262037032.db2.gz OQRGBONKVAEHRI-OCCSQVGLSA-N 1 0 280.387 3.056 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(CO)c(F)c1)c1cc(F)ccc1O ZINC000185121980 262042899 /nfs/dbraw/zinc/04/28/99/262042899.db2.gz CYKYSGUHTOSPNQ-SNVBAGLBSA-N 1 0 293.313 3.014 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)c2ccccc2C)c1 ZINC000185435138 262054319 /nfs/dbraw/zinc/05/43/19/262054319.db2.gz LDORSXLQHWTZNO-KDOFPFPSSA-N 1 0 285.387 3.393 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2[C@@H]3CCO[C@@H]3C2(C)C)c(O)c1 ZINC000185534890 262058858 /nfs/dbraw/zinc/05/88/58/262058858.db2.gz RQFOJULHAJJZBZ-MZGVZZPPSA-N 1 0 275.392 3.165 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](CCO)CC(C)C)c(O)c1 ZINC000185615274 262062496 /nfs/dbraw/zinc/06/24/96/262062496.db2.gz PPPWXLRVGXVKGG-LSDHHAIUSA-N 1 0 279.424 3.396 20 10 CGCDRO CC[C@H](CCO)C[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000185677289 262065973 /nfs/dbraw/zinc/06/59/73/262065973.db2.gz TXTMDNOVTNWOMQ-ZIAGYGMSSA-N 1 0 291.435 3.330 20 10 CGCDRO C/C=C/C[C@@H](CO)[NH2+][C@H](CC)c1ccc(N(C)C)cc1 ZINC000186501450 262095639 /nfs/dbraw/zinc/09/56/39/262095639.db2.gz KACPESZYRYIFKT-MCKRRDHZSA-N 1 0 276.424 3.120 20 10 CGCDRO CO[C@H](C[NH2+][C@@H]1CCc2cccc(O)c21)Cc1ccccc1 ZINC000296333345 263189933 /nfs/dbraw/zinc/18/99/33/263189933.db2.gz HJWTXGOBTXUFKE-DLBZAZTESA-N 1 0 297.398 3.227 20 10 CGCDRO CCOC[C@@H]([NH2+][C@H](C)c1ccc(C)cc1O)C(C)C ZINC000189347391 264291923 /nfs/dbraw/zinc/29/19/23/264291923.db2.gz HRVABCFDMHWUOR-UKRRQHHQSA-N 1 0 265.397 3.412 20 10 CGCDRO Oc1ccc(F)cc1C[NH+]1CCC(c2ccncc2)CC1 ZINC000289962376 275061009 /nfs/dbraw/zinc/06/10/09/275061009.db2.gz YMXJYVBSYAVQSB-UHFFFAOYSA-N 1 0 286.350 3.306 20 10 CGCDRO COCCC(C)(C)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296594410 277202510 /nfs/dbraw/zinc/20/25/10/277202510.db2.gz XCRMSIFRPYMYHL-ZDUSSCGKSA-N 1 0 263.381 3.032 20 10 CGCDRO COc1cc(C[NH2+][C@H](C)c2c(C)cc(C)cc2O)ccn1 ZINC000284186815 277819683 /nfs/dbraw/zinc/81/96/83/277819683.db2.gz RHHHGWLXUSPKAR-CYBMUJFWSA-N 1 0 286.375 3.263 20 10 CGCDRO C[C@H](N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(N(C)C)cc1 ZINC000218120800 290019267 /nfs/dbraw/zinc/01/92/67/290019267.db2.gz NJUWQDIQQFJUAB-QGTPRVQTSA-N 1 0 287.451 3.030 20 10 CGCDRO C[C@H](N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(N(C)C)cc1 ZINC000218120944 290053028 /nfs/dbraw/zinc/05/30/28/290053028.db2.gz NJUWQDIQQFJUAB-WBAXXEDZSA-N 1 0 287.451 3.030 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c1 ZINC000377835315 329031267 /nfs/dbraw/zinc/03/12/67/329031267.db2.gz SKFGOSHKAYMXNQ-JKSUJKDBSA-N 1 0 289.419 3.339 20 10 CGCDRO Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1ccccc1O)CO2 ZINC000378640318 329057597 /nfs/dbraw/zinc/05/75/97/329057597.db2.gz VGHYZQFDYVUTET-IUODEOHRSA-N 1 0 269.344 3.485 20 10 CGCDRO CN(C)c1ccc(C[NH+]2CCC([C@@H]3CCCO3)CC2)cc1 ZINC000188248884 329367056 /nfs/dbraw/zinc/36/70/56/329367056.db2.gz SQLIMZHUKUGAEH-SFHVURJKSA-N 1 0 288.435 3.144 20 10 CGCDRO CCn1nncc1C[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000527921138 330295829 /nfs/dbraw/zinc/29/58/29/330295829.db2.gz VFZYBYGODLLMQS-LBPRGKRZSA-N 1 0 296.374 3.008 20 10 CGCDRO CCO[C@@]1(C)C[C@H]1[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000527980783 330298191 /nfs/dbraw/zinc/29/81/91/330298191.db2.gz SLKWPALYGCZWHL-BJJXKVORSA-N 1 0 263.381 3.227 20 10 CGCDRO CCOc1cccc(C[NH+]2C[C@@H]3CCC[C@H]3C2)c1O ZINC000156105966 330720092 /nfs/dbraw/zinc/72/00/92/330720092.db2.gz TZANRRYNBHTKAG-STQMWFEESA-N 1 0 261.365 3.023 20 10 CGCDRO CCOc1cccc(C[NH2+]Cc2ncc(CC)s2)c1O ZINC000230707067 333321353 /nfs/dbraw/zinc/32/13/53/333321353.db2.gz MLLXZFYRWDBNBL-UHFFFAOYSA-N 1 0 292.404 3.100 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CC2CC(F)(F)C2)c(O)c1 ZINC000293827060 334892467 /nfs/dbraw/zinc/89/24/67/334892467.db2.gz WHUZYLPLAJAFLQ-JTQLQIEISA-N 1 0 255.308 3.397 20 10 CGCDRO CCN(CC)[C@H](C)C[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000280075660 520858723 /nfs/dbraw/zinc/85/87/23/520858723.db2.gz LJNVANLUYMADFN-KGLIPLIRSA-N 1 0 264.413 3.082 20 10 CGCDRO CCOCc1cc(C[NH2+]C[C@H]2CCSC2)ccc1OC ZINC000279828541 520185121 /nfs/dbraw/zinc/18/51/21/520185121.db2.gz CALDQPOJDJZRGQ-CQSZACIVSA-N 1 0 295.448 3.074 20 10 CGCDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccc(C)cc2O)C1 ZINC000281035472 521140713 /nfs/dbraw/zinc/14/07/13/521140713.db2.gz NKAAFKCUVKWVGL-MCIONIFRSA-N 1 0 291.391 3.083 20 10 CGCDRO CCOc1cccc(C[NH2+]C[C@@H]2CC=CCC2)c1O ZINC000045628747 521364432 /nfs/dbraw/zinc/36/44/32/521364432.db2.gz IWYNRBKTUINBQI-CYBMUJFWSA-N 1 0 261.365 3.237 20 10 CGCDRO CCC(CC)(CCO)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297613591 521409685 /nfs/dbraw/zinc/40/96/85/521409685.db2.gz IOPYQEUOPOBTMN-CQSZACIVSA-N 1 0 277.408 3.158 20 10 CGCDRO CCOC1CC2(C1)CC[N@H+](Cc1c(O)cccc1Cl)C2 ZINC000289762008 521654330 /nfs/dbraw/zinc/65/43/30/521654330.db2.gz QZXDDXULQCQRCX-UHFFFAOYSA-N 1 0 295.810 3.437 20 10 CGCDRO CC[C@H](C)c1nnc([C@H](C)[NH2+]Cc2cc(C)ccc2O)[nH]1 ZINC000277403034 522052835 /nfs/dbraw/zinc/05/28/35/522052835.db2.gz KUKDQMOTVDFSEW-RYUDHWBXSA-N 1 0 288.395 3.183 20 10 CGCDRO CN(C)c1ccc(C[N@H+](CC2CCOCC2)C2CC2)cc1 ZINC000264837668 522172250 /nfs/dbraw/zinc/17/22/50/522172250.db2.gz TYTAKQVJRHNCGH-UHFFFAOYSA-N 1 0 288.435 3.144 20 10 CGCDRO CC[C@H]([NH2+]CCOCC(F)F)c1ccc(C)cc1O ZINC000279988817 522594537 /nfs/dbraw/zinc/59/45/37/522594537.db2.gz FFFYYXHWBYCCSH-LBPRGKRZSA-N 1 0 273.323 3.023 20 10 CGCDRO CC[C@@H]([NH2+]CCOC(C)C)c1ccc(C)cc1O ZINC000280144506 522837124 /nfs/dbraw/zinc/83/71/24/522837124.db2.gz PUJCYVBCORRECZ-CQSZACIVSA-N 1 0 251.370 3.166 20 10 CGCDRO CC[C@@H]([NH2+]CC[S@](=O)C(C)(C)C)c1ccc(C)cc1O ZINC000280009098 522842306 /nfs/dbraw/zinc/84/23/06/522842306.db2.gz GNTBEFKIXVUYFE-VLIAUNLRSA-N 1 0 297.464 3.289 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1ccc(C)cc1O ZINC000280014809 522857025 /nfs/dbraw/zinc/85/70/25/522857025.db2.gz GYKVULKQOYZNDY-DGCLKSJQSA-N 1 0 291.313 3.055 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H](C)SC)c1ccc(C)cc1O ZINC000280214614 522859267 /nfs/dbraw/zinc/85/92/67/522859267.db2.gz UJCRYHZBNIHACT-WCQYABFASA-N 1 0 253.411 3.493 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cccnc1)c1ccc(C)cc1O ZINC000280060217 522883367 /nfs/dbraw/zinc/88/33/67/522883367.db2.gz KFKALSUQZPEMAX-OAHLLOKOSA-N 1 0 256.349 3.337 20 10 CGCDRO CC[C@@H]([NH2+][C@H](C)c1cn[nH]c1)c1ccc(C)cc1O ZINC000280214468 522940520 /nfs/dbraw/zinc/94/05/20/522940520.db2.gz UIJWDDJHOXALDY-BXUZGUMPSA-N 1 0 259.353 3.226 20 10 CGCDRO CC[C@@H]([NH2+][C@H](CCO)c1ccco1)c1ccc(C)cc1O ZINC000280013038 522944203 /nfs/dbraw/zinc/94/42/03/522944203.db2.gz GVPFCRFORVRTJS-HUUCEWRRSA-N 1 0 289.375 3.458 20 10 CGCDRO CC[C@@H]([NH2+][C@H](COC)C1CC1)c1ccc(C)cc1O ZINC000280175598 522945341 /nfs/dbraw/zinc/94/53/41/522945341.db2.gz RHXXCMIDKXVGJN-HUUCEWRRSA-N 1 0 263.381 3.166 20 10 CGCDRO CO[C@@]1(C)CCC[N@H+](Cc2c(O)cccc2Cl)CC1 ZINC000280302405 523806821 /nfs/dbraw/zinc/80/68/21/523806821.db2.gz PAMGPIHGNIGLGY-HNNXBMFYSA-N 1 0 283.799 3.437 20 10 CGCDRO CO[C@](C)(C[NH2+][C@@H](C)c1ccc(C)c(C)c1O)C1CC1 ZINC000291099546 524027831 /nfs/dbraw/zinc/02/78/31/524027831.db2.gz DNEOZJJRGFFTTG-SUMWQHHRSA-N 1 0 277.408 3.475 20 10 CGCDRO COc1ccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])cc1C ZINC000048068930 524073325 /nfs/dbraw/zinc/07/33/25/524073325.db2.gz OELNGNTUVUXPRO-UHFFFAOYSA-N 1 0 286.331 3.202 20 10 CGCDRO COc1ccc(O)c(CNc2cccc(C[NH+](C)C)c2)c1 ZINC000036979449 524755209 /nfs/dbraw/zinc/75/52/09/524755209.db2.gz KMQKYGQLOZKSDH-UHFFFAOYSA-N 1 0 286.375 3.075 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccccc2OC)c1 ZINC000019903232 524765397 /nfs/dbraw/zinc/76/53/97/524765397.db2.gz JALDFURUPMBOKU-GFCCVEGCSA-N 1 0 287.359 3.260 20 10 CGCDRO COc1ccc([C@@H](C)[NH2+]Cc2cc(F)ccc2O)cc1 ZINC000226588048 525156233 /nfs/dbraw/zinc/15/62/33/525156233.db2.gz KXDUXMVFOCSRRA-LLVKDONJSA-N 1 0 275.323 3.391 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c1 ZINC000290997493 525338845 /nfs/dbraw/zinc/33/88/45/525338845.db2.gz AQEWWBFVUOJFOZ-CVEARBPZSA-N 1 0 275.392 3.090 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCCc3occc3C2)c1 ZINC000290100308 525342542 /nfs/dbraw/zinc/34/25/42/525342542.db2.gz HOMYRYLWSXBACV-UHFFFAOYSA-N 1 0 257.333 3.242 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ncccc2N(C)C)c1 ZINC000289941027 525362901 /nfs/dbraw/zinc/36/29/01/525362901.db2.gz VXYGBGRLCVCVRS-CYBMUJFWSA-N 1 0 285.391 3.012 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1COc2ccccc21)c1ccccc1O ZINC000290261358 525423873 /nfs/dbraw/zinc/42/38/73/525423873.db2.gz KSMCTCXXXOPXBA-STQMWFEESA-N 1 0 269.344 3.219 20 10 CGCDRO C[C@@H]([NH2+]CC1CC(F)(F)C1)c1ccc(N(C)C)cc1 ZINC000293249394 525424707 /nfs/dbraw/zinc/42/47/07/525424707.db2.gz BOTNMCSYUIWIIV-LLVKDONJSA-N 1 0 268.351 3.449 20 10 CGCDRO Cc1ccccc1[C@H](O)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297721911 525431920 /nfs/dbraw/zinc/43/19/20/525431920.db2.gz NELZDYIUOHFPAL-DOTOQJQBSA-N 1 0 283.371 3.011 20 10 CGCDRO C[C@@H]([NH2+]CCCOCC1CC1)c1ccc(N(C)C)cc1 ZINC000037237050 525438615 /nfs/dbraw/zinc/43/86/15/525438615.db2.gz JPODJYFLSZRFEX-CQSZACIVSA-N 1 0 276.424 3.220 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cncs1 ZINC000128563891 525445156 /nfs/dbraw/zinc/44/51/56/525445156.db2.gz QHIIUZBHUWGVTN-NSHDSACASA-N 1 0 261.394 3.060 20 10 CGCDRO C[C@@H](O)C[N@H+](Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000249543244 525786978 /nfs/dbraw/zinc/78/69/78/525786978.db2.gz JTUPAVJKOIFPKH-HUUCEWRRSA-N 1 0 285.387 3.336 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])c(O)c1 ZINC000050015552 525929589 /nfs/dbraw/zinc/92/95/89/525929589.db2.gz GZKCORGUAJVWPM-LBPRGKRZSA-N 1 0 286.331 3.460 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](CO)CC(C)C)c(O)c1C ZINC000273411977 525937293 /nfs/dbraw/zinc/93/72/93/525937293.db2.gz PXIQZJVTGALSPR-UONOGXRCSA-N 1 0 265.397 3.067 20 10 CGCDRO Cc1cnc(C(C)(C)[NH2+]Cc2cc(C)ccc2O)s1 ZINC000080346777 525982864 /nfs/dbraw/zinc/98/28/64/525982864.db2.gz KQHQXWFIMFKUQT-UHFFFAOYSA-N 1 0 276.405 3.490 20 10 CGCDRO CSc1ccc(CC[NH2+]Cc2ccccc2O)cc1 ZINC000280647168 525985407 /nfs/dbraw/zinc/98/54/07/525985407.db2.gz NUHIDJAMOSYKFJ-UHFFFAOYSA-N 1 0 273.401 3.446 20 10 CGCDRO COc1cccc(C[NH2+][C@@H]2CS[C@H](C(C)C)C2)c1O ZINC000289393851 526033766 /nfs/dbraw/zinc/03/37/66/526033766.db2.gz FJUWGFULALKONN-JSGCOSHPSA-N 1 0 281.421 3.021 20 10 CGCDRO COc1cccc(CNc2ccc(C[NH+](C)C)cc2)c1O ZINC000037141360 526040618 /nfs/dbraw/zinc/04/06/18/526040618.db2.gz FYNKYPAHQLJJKE-UHFFFAOYSA-N 1 0 286.375 3.075 20 10 CGCDRO Cc1nnc(CC[NH2+][C@H](C)c2cc(Cl)ccc2O)s1 ZINC000289661810 526329124 /nfs/dbraw/zinc/32/91/24/526329124.db2.gz GUDKDCXKICTHAM-MRVPVSSYSA-N 1 0 297.811 3.099 20 10 CGCDRO Oc1ccc(Cl)cc1CN1CCC([NH+]2CCCC2)CC1 ZINC000127726841 526347552 /nfs/dbraw/zinc/34/75/52/526347552.db2.gz GXEBWVLMEJXREU-UHFFFAOYSA-N 1 0 294.826 3.106 20 10 CGCDRO CC(C)[C@@H]1CN(C)CC[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC000738285945 572369451 /nfs/dbraw/zinc/36/94/51/572369451.db2.gz RBSAPQWODLIYIA-SFHVURJKSA-N 1 0 298.430 3.317 20 10 CGCDRO C[C@H](C[NH2+]Cc1c(O)cccc1Cl)N1CCC[C@@H](C)C1 ZINC000733324689 572555165 /nfs/dbraw/zinc/55/51/65/572555165.db2.gz TXKNGQZSLLVJPS-CHWSQXEVSA-N 1 0 296.842 3.256 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(-n3ccnc3)cc2)c1 ZINC000733325830 572556324 /nfs/dbraw/zinc/55/63/24/572556324.db2.gz UOJWXMYSTIFXJI-UHFFFAOYSA-N 1 0 293.370 3.176 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCN2CCc3ccccc32)cc1C ZINC000742368479 572568334 /nfs/dbraw/zinc/56/83/34/572568334.db2.gz BNTLOURPUADPHB-UHFFFAOYSA-N 1 0 296.414 3.161 20 10 CGCDRO COc1cccc(C[NH2+]Cc2c(O)cccc2Cl)c1O ZINC000733900773 572611259 /nfs/dbraw/zinc/61/12/59/572611259.db2.gz HFPWHACIVQKSKX-UHFFFAOYSA-N 1 0 293.750 3.050 20 10 CGCDRO CCCN(CCC)c1ccc(C[NH2+]C[C@H](O)C2CC2)cc1 ZINC000734844550 572686936 /nfs/dbraw/zinc/68/69/36/572686936.db2.gz MTJYSPOFFVASST-SFHVURJKSA-N 1 0 290.451 3.174 20 10 CGCDRO CCOc1cccc(C[NH2+]C[C@@H](C)c2ccncc2)c1O ZINC000749296311 572991762 /nfs/dbraw/zinc/99/17/62/572991762.db2.gz OKXKYOLKJFKGSM-CYBMUJFWSA-N 1 0 286.375 3.079 20 10 CGCDRO C[C@@H]1CC[C@@H](C)C1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000749922645 573059123 /nfs/dbraw/zinc/05/91/23/573059123.db2.gz DBYMIDKRGJDAOO-VXGBXAGGSA-N 1 0 264.388 3.416 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CC(O)(CC)CC)cc1 ZINC000069160703 617936536 /nfs/dbraw/zinc/93/65/36/617936536.db2.gz NOZSWKRJQFOYKX-UHFFFAOYSA-N 1 0 278.440 3.174 20 10 CGCDRO Cc1nc(C[NH2+][C@H](C)c2cc(C)ccc2O)cs1 ZINC000041010519 617984629 /nfs/dbraw/zinc/98/46/29/617984629.db2.gz QMWACSAUUXLUND-SNVBAGLBSA-N 1 0 262.378 3.316 20 10 CGCDRO C[C@H]1CCCC[N@@H+]1CCCNCc1c(O)cccc1Cl ZINC000083551539 618009312 /nfs/dbraw/zinc/00/93/12/618009312.db2.gz DEGOQRGAULPNHT-ZDUSSCGKSA-N 1 0 296.842 3.400 20 10 CGCDRO C[C@@H]([NH2+]Cc1cncn1C)c1ccc(N2CCCCC2)cc1 ZINC000289650169 618079180 /nfs/dbraw/zinc/07/91/80/618079180.db2.gz GFWYLFWUWWWSTE-OAHLLOKOSA-N 1 0 298.434 3.261 20 10 CGCDRO CC(=O)OC1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000156844456 618149923 /nfs/dbraw/zinc/14/99/23/618149923.db2.gz IDZFBXBNRHDNJM-UHFFFAOYSA-N 1 0 299.370 3.073 20 10 CGCDRO C[C@H]([NH2+]CCc1cn(C)cn1)c1ccc2ccccc2c1O ZINC000313247971 618181402 /nfs/dbraw/zinc/18/14/02/618181402.db2.gz BHPXNFICFOBONA-ZDUSSCGKSA-N 1 0 295.386 3.172 20 10 CGCDRO CCC[N@@H+](Cc1ccc(OC)c(OC)c1O)CC1CC1 ZINC000891395397 618184080 /nfs/dbraw/zinc/18/40/80/618184080.db2.gz ZPRNSSGKUJMAOP-UHFFFAOYSA-N 1 0 279.380 3.031 20 10 CGCDRO C[N@H+](Cc1ccccc1O)Cc1nccc2c1CCCC2 ZINC000891714099 618254732 /nfs/dbraw/zinc/25/47/32/618254732.db2.gz RRMPNWGIFICUDP-UHFFFAOYSA-N 1 0 282.387 3.298 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@]2(C)CCCC[C@@H]2C)c1 ZINC000308708860 618354298 /nfs/dbraw/zinc/35/42/98/618354298.db2.gz LDGAJWKZQZOWPJ-BLLLJJGKSA-N 1 0 263.381 3.459 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CC[C@H](OCC(C)C)C2)c1O ZINC000091964307 618486208 /nfs/dbraw/zinc/48/62/08/618486208.db2.gz OYJKKEXTXUHVNW-HNNXBMFYSA-N 1 0 293.407 3.038 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CC2(OC)CCC2)cc1F ZINC000779985035 618509779 /nfs/dbraw/zinc/50/97/79/618509779.db2.gz NFYZALMATWMYEC-UHFFFAOYSA-N 1 0 294.414 3.331 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@@H]2CN2CCCC2)c1 ZINC000178891115 618712776 /nfs/dbraw/zinc/71/27/76/618712776.db2.gz FIHAFCDDPHIODL-QGZVFWFLSA-N 1 0 288.435 3.069 20 10 CGCDRO Cc1ccc(O)c(C[N@H+]2CCN(C)C[C@H]2c2ccccc2)c1 ZINC000246372015 618721980 /nfs/dbraw/zinc/72/19/80/618721980.db2.gz ZMFUDLLGVCBXKL-SFHVURJKSA-N 1 0 296.414 3.189 20 10 CGCDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cc(C)cc(OC)c1O ZINC000184984839 625286973 /nfs/dbraw/zinc/28/69/73/625286973.db2.gz AJPGVFLRTNNSHX-GXTWGEPZSA-N 1 0 263.381 3.330 20 10 CGCDRO CCC[C@@H](C)[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000782191348 618737252 /nfs/dbraw/zinc/73/72/52/618737252.db2.gz POHIZIFUDVGIGK-CYBMUJFWSA-N 1 0 280.387 3.145 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@H]2CCCCC2(C)C)c1 ZINC000094323213 618892378 /nfs/dbraw/zinc/89/23/78/618892378.db2.gz XEBDHFJFFZKUJB-HNNXBMFYSA-N 1 0 263.381 3.459 20 10 CGCDRO C[C@@H]([NH2+]Cc1cncs1)c1ccc(N(C)C)cc1 ZINC000168897510 618914266 /nfs/dbraw/zinc/91/42/66/618914266.db2.gz IOJHYSBZIDTCNO-LLVKDONJSA-N 1 0 261.394 3.060 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c1 ZINC000168970450 618914534 /nfs/dbraw/zinc/91/45/34/618914534.db2.gz LWZUBOIUPYLBKM-XIRDDKMYSA-N 1 0 287.403 3.138 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]CCCCSC)c1O ZINC000169088404 618916002 /nfs/dbraw/zinc/91/60/02/618916002.db2.gz UJZQYZVFZOTAEN-UHFFFAOYSA-N 1 0 289.828 3.287 20 10 CGCDRO CC1(C)CC[C@@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000309454592 619027699 /nfs/dbraw/zinc/02/76/99/619027699.db2.gz RXZABBKQJSIZGF-LBPRGKRZSA-N 1 0 284.197 3.433 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(C(C)(C)O)cc1)c1ccccc1O ZINC000186608188 619071802 /nfs/dbraw/zinc/07/18/02/619071802.db2.gz RTZSFPMIFBNTSZ-CYBMUJFWSA-N 1 0 285.387 3.470 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2CCC=CO2)cc1 ZINC000189563715 625317499 /nfs/dbraw/zinc/31/74/99/625317499.db2.gz OYNGJUTYEFLVEK-KRWDZBQOSA-N 1 0 274.408 3.315 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2cccc(Cl)c2[O-])nc1C ZINC000313898562 619197107 /nfs/dbraw/zinc/19/71/07/619197107.db2.gz GEGHOLCHKVSEBE-UHFFFAOYSA-N 1 0 276.767 3.347 20 10 CGCDRO COCCC[N@H+](C)Cc1c(O)ccc2ccccc21 ZINC000066371343 619284303 /nfs/dbraw/zinc/28/43/03/619284303.db2.gz XRGMNFIJZWZZLX-UHFFFAOYSA-N 1 0 259.349 3.014 20 10 CGCDRO Cc1ccccc1CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000108095727 619296482 /nfs/dbraw/zinc/29/64/82/619296482.db2.gz UYVXVPSIXHMGPB-UHFFFAOYSA-N 1 0 267.372 3.262 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](CO)[C@H]2C)cc1 ZINC000840977335 619308784 /nfs/dbraw/zinc/30/87/84/619308784.db2.gz HIFBDEGWRCVAPT-NVXWUHKLSA-N 1 0 290.451 3.126 20 10 CGCDRO Cc1ncoc1C[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000893929434 619334848 /nfs/dbraw/zinc/33/48/48/619334848.db2.gz SKMDXUABYSWTHA-UHFFFAOYSA-N 1 0 285.391 3.214 20 10 CGCDRO CCCN(Cc1ccnn1C1CCC1)c1ccc(C[NH3+])cc1 ZINC000894047274 619358518 /nfs/dbraw/zinc/35/85/18/619358518.db2.gz RBVPHNROUKBABL-UHFFFAOYSA-N 1 0 298.434 3.483 20 10 CGCDRO C[C@H](Cc1ccsc1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000048556936 619509105 /nfs/dbraw/zinc/50/91/05/619509105.db2.gz LHMSACKOGIMZQX-GFCCVEGCSA-N 1 0 273.401 3.404 20 10 CGCDRO COCCCC1(C[NH2+]Cc2cccc(OC)c2O)CCC1 ZINC000894457473 619543652 /nfs/dbraw/zinc/54/36/52/619543652.db2.gz BUVNQMWBAMOEGA-UHFFFAOYSA-N 1 0 293.407 3.087 20 10 CGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@H]1CCc2cccnc21 ZINC000894569889 619578432 /nfs/dbraw/zinc/57/84/32/619578432.db2.gz NMHRTSFBCOCBML-KRWDZBQOSA-N 1 0 281.403 3.444 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(OC)c1O)C1CCCC1 ZINC000894759993 619621778 /nfs/dbraw/zinc/62/17/78/619621778.db2.gz DWNSXVNBDJOFRD-CQSZACIVSA-N 1 0 293.407 3.468 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)c1cc(Cl)ccc1O ZINC000185460042 625361566 /nfs/dbraw/zinc/36/15/66/625361566.db2.gz USEFJRMALNBPFT-FUPATZSFSA-N 1 0 267.756 3.016 20 10 CGCDRO COc1cc(C)cc(C[NH2+]C[C@H]2CCCC2(F)F)c1O ZINC000894897895 619674870 /nfs/dbraw/zinc/67/48/70/619674870.db2.gz CDLKGNADGOPDET-GFCCVEGCSA-N 1 0 285.334 3.234 20 10 CGCDRO FC(F)Oc1ccc2c(c1)CCCN2CC1CC[NH2+]CC1 ZINC000178962229 619717186 /nfs/dbraw/zinc/71/71/86/619717186.db2.gz HZISADWHMHSZPX-UHFFFAOYSA-N 1 0 296.361 3.040 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CCC23CCCC3)c1O ZINC000895134063 619747779 /nfs/dbraw/zinc/74/77/79/619747779.db2.gz USIJGRIQSQLLFA-UHFFFAOYSA-N 1 0 261.365 3.228 20 10 CGCDRO CC[C@@H](CCO)[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000185527230 625370695 /nfs/dbraw/zinc/37/06/95/625370695.db2.gz GPMGDOPKLONGOJ-DOMZBBRYSA-N 1 0 277.408 3.083 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000895842733 619892844 /nfs/dbraw/zinc/89/28/44/619892844.db2.gz FHVOESFPFMKNRL-ABAIWWIYSA-N 1 0 281.783 3.047 20 10 CGCDRO Cc1cnc(C[NH2+][C@H](C)c2cc(F)ccc2O)s1 ZINC000185569482 625385736 /nfs/dbraw/zinc/38/57/36/625385736.db2.gz TTWQOUORUNJGSI-SECBINFHSA-N 1 0 266.341 3.147 20 10 CGCDRO CCCN(CCC)c1ccc(C[N@@H+]2C[C@@H](O)C[C@@H]2C)cc1 ZINC000788270311 620072426 /nfs/dbraw/zinc/07/24/26/620072426.db2.gz QWKMSIILPDRXBV-YJBOKZPZSA-N 1 0 290.451 3.268 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000896863166 620079183 /nfs/dbraw/zinc/07/91/83/620079183.db2.gz QWCDADRLAWMJOG-GXTWGEPZSA-N 1 0 286.341 3.349 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@@H]2CCS[C@@H](C)C2)c1O ZINC000896953314 620112991 /nfs/dbraw/zinc/11/29/91/620112991.db2.gz XVRLMQBKKNFQPK-WCQYABFASA-N 1 0 281.421 3.083 20 10 CGCDRO CCc1cccc(C[NH2+]Cc2cccc3c2OCC3)c1O ZINC000897207189 620160961 /nfs/dbraw/zinc/16/09/61/620160961.db2.gz YAUTUEIDCYQGPR-UHFFFAOYSA-N 1 0 283.371 3.179 20 10 CGCDRO Cc1cc(C[NH+](C)C)ccc1NC(=O)C1=CC(=O)CS1 ZINC000909601500 620196653 /nfs/dbraw/zinc/19/66/53/620196653.db2.gz IOTHZZVBSQQVBS-UHFFFAOYSA-N 1 0 290.388 3.076 20 10 CGCDRO C[C@](O)(C[NH2+]Cc1cc(Cl)ccc1O)c1cccs1 ZINC000304328262 620198425 /nfs/dbraw/zinc/19/84/25/620198425.db2.gz URJPPGSZZOTOGQ-AWEZNQCLSA-N 1 0 297.807 3.104 20 10 CGCDRO CC(C)(C[NH2+]Cc1ccc2c(c1)CCO2)C1CCOCC1 ZINC000897452070 620338550 /nfs/dbraw/zinc/33/85/50/620338550.db2.gz SXWQAPBDTHCPMM-UHFFFAOYSA-N 1 0 289.419 3.164 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CC[C@@H]2CCCC[C@@H]2O)cc1C ZINC000897538877 620381466 /nfs/dbraw/zinc/38/14/66/620381466.db2.gz HMXYEUMWUQSLKE-HOCLYGCPSA-N 1 0 277.408 3.040 20 10 CGCDRO Cc1cc(F)ccc1C[NH2+]CCc1ccc(N)cc1 ZINC000841034674 620415072 /nfs/dbraw/zinc/41/50/72/620415072.db2.gz JPOXYSFONFFNBR-UHFFFAOYSA-N 1 0 258.340 3.049 20 10 CGCDRO CC1(C)C[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)CCS1 ZINC000897800139 620434599 /nfs/dbraw/zinc/43/45/99/620434599.db2.gz OENNHSVYUUYACZ-AWEZNQCLSA-N 1 0 277.433 3.385 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H](C)Cc2cccnc2)c1O ZINC000897967011 620458559 /nfs/dbraw/zinc/45/85/59/620458559.db2.gz JESANTNHJZQVQV-ZDUSSCGKSA-N 1 0 270.376 3.070 20 10 CGCDRO Cc1ccc(C[NH2+]C[C@@H]2CCCC(C)(C)O2)c(O)c1 ZINC000898047278 620463852 /nfs/dbraw/zinc/46/38/52/620463852.db2.gz VXRRVVCXDMHVCU-AWEZNQCLSA-N 1 0 263.381 3.138 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H](Cc3nccs3)C2)c1 ZINC000898071970 620476824 /nfs/dbraw/zinc/47/68/24/620476824.db2.gz WHCJFGBUWSFSBV-CYBMUJFWSA-N 1 0 288.416 3.222 20 10 CGCDRO CCC[C@H](O)CC[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000927016073 620561745 /nfs/dbraw/zinc/56/17/45/620561745.db2.gz HNSPRHRJSMWCPV-PWSUYJOCSA-N 1 0 271.788 3.247 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCS[C@@H](C)C2)c1O ZINC000927025625 620564198 /nfs/dbraw/zinc/56/41/98/620564198.db2.gz CYVORSHDSOCQPH-SDDRHHMPSA-N 1 0 281.421 3.336 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCOC2CCSCC2)cc1C ZINC000898441697 620588583 /nfs/dbraw/zinc/58/85/83/620588583.db2.gz CBVBMJCLCIRBFK-UHFFFAOYSA-N 1 0 295.448 3.011 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CC[C@H](CC(=O)OC)C1)c1ccccc1O ZINC000898482302 620591001 /nfs/dbraw/zinc/59/10/01/620591001.db2.gz CFZNOSPIIMLRBT-GUTXKFCHSA-N 1 0 291.391 3.165 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCC[C@@H](C)CC2)c1 ZINC000227542834 625496591 /nfs/dbraw/zinc/49/65/91/625496591.db2.gz YEMPFIBIBZITIH-TZMCWYRMSA-N 1 0 263.381 3.459 20 10 CGCDRO C[C@H]([NH2+]CC1(C2(O)CCC2)CC1)c1ccc(N(C)C)cc1 ZINC000903258556 621646156 /nfs/dbraw/zinc/64/61/56/621646156.db2.gz DNGWYDWSZBYYRU-AWEZNQCLSA-N 1 0 288.435 3.098 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1cc(Cl)ccc1O ZINC000903286646 621669749 /nfs/dbraw/zinc/66/97/49/621669749.db2.gz LTOWMKFGOYQJFG-SSEJVFHPSA-N 1 0 293.794 3.262 20 10 CGCDRO CO[C@@]1(C[NH2+][C@H](C)c2ccc(C)c(C)c2O)CCSC1 ZINC000903314098 621685085 /nfs/dbraw/zinc/68/50/85/621685085.db2.gz GXFXIBIAWSONAE-CZUORRHYSA-N 1 0 295.448 3.182 20 10 CGCDRO C[C@H]([NH2+]Cc1cn(C)cn1)c1ccc(N2CCCCC2)cc1 ZINC000903351914 621709040 /nfs/dbraw/zinc/70/90/40/621709040.db2.gz RFOPGHWZMMFHPR-HNNXBMFYSA-N 1 0 298.434 3.261 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCOC12CCCC2)c1cc(F)ccc1O ZINC000903382278 621724016 /nfs/dbraw/zinc/72/40/16/621724016.db2.gz GLLOJAHXKWORLI-IAQYHMDHSA-N 1 0 279.355 3.284 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(CCO)cc2)c(O)c1C ZINC000903403135 621740988 /nfs/dbraw/zinc/74/09/88/621740988.db2.gz NNVUGUFXTKDADS-HNNXBMFYSA-N 1 0 299.414 3.395 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCSC[C@@H]2C)cc1 ZINC000769428233 625568021 /nfs/dbraw/zinc/56/80/21/625568021.db2.gz NUQXAWKYLJMWAG-AWEZNQCLSA-N 1 0 278.465 3.470 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H](CO)CC(C)C)cc1 ZINC000151187648 622743998 /nfs/dbraw/zinc/74/39/98/622743998.db2.gz ISIIHKZKLRQCSM-ZBFHGGJFSA-N 1 0 278.440 3.200 20 10 CGCDRO CS[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C)c1O ZINC000224852876 622888845 /nfs/dbraw/zinc/88/88/45/622888845.db2.gz XMDDELHTRPPQCD-ZIAGYGMSSA-N 1 0 265.422 3.464 20 10 CGCDRO CC[C@H](COC)[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000157518744 622910672 /nfs/dbraw/zinc/91/06/72/622910672.db2.gz PKAALEUSDZGFJW-QGZVFWFLSA-N 1 0 290.451 3.438 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]Cc1ccccc1OC(F)F ZINC000226583729 622983382 /nfs/dbraw/zinc/98/33/82/622983382.db2.gz ROJCUQXCTOCIML-UHFFFAOYSA-N 1 0 297.276 3.423 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]C[C@H]1CCCCS1 ZINC000158060346 622994946 /nfs/dbraw/zinc/99/49/46/622994946.db2.gz CYVQMJMDAWFKAX-GFCCVEGCSA-N 1 0 271.813 3.421 20 10 CGCDRO CCOc1cccc(C[NH2+]CC2(C(C)C)CC2)c1O ZINC000227832835 623031867 /nfs/dbraw/zinc/03/18/67/623031867.db2.gz FTCXDVILLNZNBD-UHFFFAOYSA-N 1 0 263.381 3.317 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCSC2)c1 ZINC000228554677 623062178 /nfs/dbraw/zinc/06/21/78/623062178.db2.gz SRLJONFYARQJPZ-NWDGAFQWSA-N 1 0 251.395 3.104 20 10 CGCDRO COc1ccc(C[NH2+]C[C@@H](C)c2nccs2)cc1C ZINC000230694187 623267015 /nfs/dbraw/zinc/26/70/15/623267015.db2.gz AXABDWCZYLPBND-GFCCVEGCSA-N 1 0 276.405 3.353 20 10 CGCDRO Cc1csc(CC[NH2+][C@H](C)c2ccccc2O)n1 ZINC000063132556 623301558 /nfs/dbraw/zinc/30/15/58/623301558.db2.gz CGKCGIBAXXJPDM-LLVKDONJSA-N 1 0 262.378 3.050 20 10 CGCDRO CC[C@H]1C[N@H+](Cc2cc3c(cc2O)CCC3)CCS1 ZINC000173508610 623329663 /nfs/dbraw/zinc/32/96/63/623329663.db2.gz ORENDPOANKDCDO-HNNXBMFYSA-N 1 0 277.433 3.208 20 10 CGCDRO CCOc1ccc(C[NH2+][C@@H]2CC23CCCC3)c(O)c1 ZINC000758523774 623508080 /nfs/dbraw/zinc/50/80/80/623508080.db2.gz FSZKUEKJVXHFTF-OAHLLOKOSA-N 1 0 261.365 3.213 20 10 CGCDRO Cc1cc(O)c(C[N@H+](C)C[C@H]2CCCO2)cc1C(C)C ZINC000151745524 623562936 /nfs/dbraw/zinc/56/29/36/623562936.db2.gz UYAASCAZWIPPGV-OAHLLOKOSA-N 1 0 277.408 3.435 20 10 CGCDRO C[N@@H+](Cc1cc(C(C)(C)C)cc(O)c1O)C[C@H]1CCCO1 ZINC000151758121 623564049 /nfs/dbraw/zinc/56/40/49/623564049.db2.gz VWJWEXYOFBLQGD-CQSZACIVSA-N 1 0 293.407 3.006 20 10 CGCDRO COc1ccc(N2CCC([NH2+][C@H]3CCC[C@H]3C)CC2)cc1 ZINC000151871991 623578572 /nfs/dbraw/zinc/57/85/72/623578572.db2.gz ZBUNQVOVRYFNMX-KDOFPFPSSA-N 1 0 288.435 3.442 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CS[C@@H](C(C)(C)C)C2)c1 ZINC000754119472 623811401 /nfs/dbraw/zinc/81/14/01/623811401.db2.gz CIXOCOAZQHZYFD-SWLSCSKDSA-N 1 0 295.448 3.411 20 10 CGCDRO CC[C@@H]([NH2+][C@H]1CCOC1(C)C)c1ccc(N(C)C)cc1 ZINC000834874462 623833668 /nfs/dbraw/zinc/83/36/68/623833668.db2.gz DSECXFKRGVGVGN-CVEARBPZSA-N 1 0 276.424 3.361 20 10 CGCDRO CC[C@H]([NH2+]CCN1CCCC[C@@H]1C)c1ccccc1O ZINC000155163288 624439675 /nfs/dbraw/zinc/43/96/75/624439675.db2.gz UTHZTVGZXLLLSY-HOCLYGCPSA-N 1 0 276.424 3.307 20 10 CGCDRO C[C@H]1Cc2cc(C[NH2+]Cc3ccc(N(C)C)cc3)ccc2O1 ZINC000921496720 624634815 /nfs/dbraw/zinc/63/48/15/624634815.db2.gz YZHSXVRMSUZQCL-AWEZNQCLSA-N 1 0 296.414 3.366 20 10 CGCDRO COc1ccccc1CC[N@H+](C)Cc1ccccc1O ZINC000179570729 624663735 /nfs/dbraw/zinc/66/37/35/624663735.db2.gz BCYIOHSXWXRULD-UHFFFAOYSA-N 1 0 271.360 3.075 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](CC(C)C)C2)c1 ZINC000180199774 624726587 /nfs/dbraw/zinc/72/65/87/624726587.db2.gz RNZRORVZNMTLBF-CYBMUJFWSA-N 1 0 263.381 3.269 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CC2(OC)CCC2)cc1 ZINC000181074885 624803275 /nfs/dbraw/zinc/80/32/75/624803275.db2.gz MJGCZWKIRVVKFX-UHFFFAOYSA-N 1 0 276.424 3.192 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ncc(C)s2)c1 ZINC000182381430 624995135 /nfs/dbraw/zinc/99/51/35/624995135.db2.gz WFKKYFYNCKXKDE-JTQLQIEISA-N 1 0 278.377 3.017 20 10 CGCDRO Cc1cccnc1C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000071339742 625077753 /nfs/dbraw/zinc/07/77/53/625077753.db2.gz ZUBBUQBBBDVXKY-AWEZNQCLSA-N 1 0 269.392 3.307 20 10 CGCDRO CCc1cnc(C[NH2+][C@@H](C)c2ccccc2O)s1 ZINC000183535863 625087937 /nfs/dbraw/zinc/08/79/37/625087937.db2.gz ILSJIVGNWVBRQB-JTQLQIEISA-N 1 0 262.378 3.262 20 10 CGCDRO Cc1cncc([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2)c1 ZINC000184260745 625216105 /nfs/dbraw/zinc/21/61/05/625216105.db2.gz JYDKZUYBJGAPJM-AWEZNQCLSA-N 1 0 269.392 3.307 20 10 CGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](C)C2)c1O ZINC000184671970 625261224 /nfs/dbraw/zinc/26/12/24/625261224.db2.gz GTUVKYOOSQSING-JTQLQIEISA-N 1 0 269.772 3.286 20 10 CGCDRO Cc1cccc(CC[NH2+]Cc2ccc3c(c2)CCCO3)n1 ZINC000922076081 625969083 /nfs/dbraw/zinc/96/90/83/625969083.db2.gz HJIBVFAMJHLJIV-UHFFFAOYSA-N 1 0 282.387 3.047 20 10 CGCDRO CO[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2O)C12CCC2 ZINC000922332584 625999364 /nfs/dbraw/zinc/99/93/64/625999364.db2.gz NXZLVXUJDDOWCQ-CQDKDKBSSA-N 1 0 261.365 3.000 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)C1CCSCC1 ZINC000186945408 626083099 /nfs/dbraw/zinc/08/30/99/626083099.db2.gz UHNOXRAVNIQCCY-CYBMUJFWSA-N 1 0 278.465 3.374 20 10 CGCDRO c1cc(C[NH2+]CC[C@@H]2CCC3(CCC3)O2)cc2c1OCC2 ZINC000922967145 626109597 /nfs/dbraw/zinc/10/95/97/626109597.db2.gz DXTLJYCVNMKRIA-INIZCTEOSA-N 1 0 287.403 3.203 20 10 CGCDRO COc1cccc(C[NH2+][C@]2(C)CCOc3ccccc32)c1O ZINC000923024827 626121146 /nfs/dbraw/zinc/12/11/46/626121146.db2.gz ILBCMBHJABAAJS-GOSISDBHSA-N 1 0 299.370 3.188 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](OC(C)C)C2)cc1C ZINC000839148343 626317394 /nfs/dbraw/zinc/31/73/94/626317394.db2.gz ZHDCZQOFNZLOOK-GASCZTMLSA-N 1 0 263.381 3.049 20 10 CGCDRO CCOC[C@@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000839170675 626324973 /nfs/dbraw/zinc/32/49/73/626324973.db2.gz RUDKOUSKSVDNPK-KRWDZBQOSA-N 1 0 276.424 3.144 20 10 CGCDRO CCOC[C@H]1CCCC[N@@H+]1Cc1ccc(OCC)cc1O ZINC000839170912 626325245 /nfs/dbraw/zinc/32/52/45/626325245.db2.gz VEDCKTBAHGALRX-OAHLLOKOSA-N 1 0 293.407 3.182 20 10 CGCDRO CC[C@@H]1OCC[C@H]1[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000840820738 626338671 /nfs/dbraw/zinc/33/86/71/626338671.db2.gz KLTDPIOLGNCJER-TWJQMWNJSA-N 1 0 279.355 3.237 20 10 CGCDRO CC[N@H+](Cc1ccccn1)Cc1c(O)ccc2ccncc21 ZINC000753103876 626445508 /nfs/dbraw/zinc/44/55/08/626445508.db2.gz UBPSVZKCKOYLEK-UHFFFAOYSA-N 1 0 293.370 3.358 20 10 CGCDRO COc1cc(C)cc(C[N@H+](C)C2Cc3ccccc3C2)c1O ZINC000754722083 626584565 /nfs/dbraw/zinc/58/45/65/626584565.db2.gz BSJQUVAUFRXAGR-UHFFFAOYSA-N 1 0 297.398 3.308 20 10 CGCDRO CC[C@H]1CC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000755922832 626661319 /nfs/dbraw/zinc/66/13/19/626661319.db2.gz JVHZPGSFQDXJQH-LBPRGKRZSA-N 1 0 256.349 3.172 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]CCN2CCCCC2)c2c1c(F)ccc2O ZINC000756397175 626700952 /nfs/dbraw/zinc/70/09/52/626700952.db2.gz ORBZKOLLWAVEFW-OCCSQVGLSA-N 1 0 292.398 3.155 20 10 CGCDRO C[C@H]1C[C@@H]([NH2+]CCc2cccnc2)c2c1c(F)ccc2O ZINC000756397591 626701724 /nfs/dbraw/zinc/70/17/24/626701724.db2.gz VULMZWKKHOKQAM-SMDDNHRTSA-N 1 0 286.350 3.307 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCN2CCC[C@H](C)C2)c(O)c1C ZINC000756415063 626703982 /nfs/dbraw/zinc/70/39/82/626703982.db2.gz JUOOUCDULDUJSL-BBRMVZONSA-N 1 0 290.451 3.392 20 10 CGCDRO C[C@H]1C[C@@H]([NH2+]Cc2ccoc2)c2c1c(F)ccc2O ZINC000756445307 626706506 /nfs/dbraw/zinc/70/65/06/626706506.db2.gz MXHZGLYETMSWKE-JOYOIKCWSA-N 1 0 261.296 3.462 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCOCC(F)(F)F)c(O)c1C ZINC000756469265 626707670 /nfs/dbraw/zinc/70/76/70/626707670.db2.gz IAFBCPHDCBNQBK-LLVKDONJSA-N 1 0 291.313 3.239 20 10 CGCDRO CC[C@H](C)[C@H](O)C[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000756576376 626717057 /nfs/dbraw/zinc/71/70/57/626717057.db2.gz TWXZJVAZYXTUEN-PSOPSSQASA-N 1 0 265.397 3.067 20 10 CGCDRO CCCCN(C)CC[NH2+][C@H](C)c1cc(C)ccc1O ZINC000756577917 626717743 /nfs/dbraw/zinc/71/77/43/626717743.db2.gz SPHMFTVSBAUKSQ-CQSZACIVSA-N 1 0 264.413 3.083 20 10 CGCDRO CC(C)[C@H](CCO)[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756610909 626720621 /nfs/dbraw/zinc/72/06/21/626720621.db2.gz URTJYTYCSPKKIN-KGYLQXTDSA-N 1 0 281.371 3.076 20 10 CGCDRO CC[C@H](C[C@H](C)CO)[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000756627135 626721388 /nfs/dbraw/zinc/72/13/88/626721388.db2.gz QXCJJJOMFLJOLF-TUKIKUTGSA-N 1 0 279.424 3.457 20 10 CGCDRO C[C@@H]1CCN(CC[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)C1 ZINC000756630405 626721716 /nfs/dbraw/zinc/72/17/16/626721716.db2.gz VNYATTDLOMJFOS-MBNYWOFBSA-N 1 0 292.398 3.011 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)c1cc(OC)ccc1O)C1CCOCC1 ZINC000756628484 626721766 /nfs/dbraw/zinc/72/17/66/626721766.db2.gz MNZSRLKKQWAJFC-WBMJQRKESA-N 1 0 293.407 3.257 20 10 CGCDRO Cc1noc(C)c1CCC[NH2+][C@H](C)c1cc(F)ccc1O ZINC000756639779 626723201 /nfs/dbraw/zinc/72/32/01/626723201.db2.gz DTMQOJGGOOJMTD-SNVBAGLBSA-N 1 0 292.354 3.420 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCCO2)c2c1c(F)ccc2O ZINC000756644946 626723970 /nfs/dbraw/zinc/72/39/70/626723970.db2.gz GRYCUTZKZNJNLM-RSAASHCRSA-N 1 0 279.355 3.238 20 10 CGCDRO C[C@H]1C[C@@H]([NH2+]CCc2cscn2)c2c1c(F)ccc2O ZINC000756660196 626725372 /nfs/dbraw/zinc/72/53/72/626725372.db2.gz KWHVGIXYBGBMQB-JOYOIKCWSA-N 1 0 292.379 3.368 20 10 CGCDRO CCC1(O)CCC([NH2+][C@@H](C)c2ccc(C)cc2O)CC1 ZINC000756674733 626726761 /nfs/dbraw/zinc/72/67/61/626726761.db2.gz ATUANTJCIMALPD-CBCUQQMYSA-N 1 0 277.408 3.435 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]CC2(C)CCOCC2)c2c1c(F)ccc2O ZINC000756747590 626729420 /nfs/dbraw/zinc/72/94/20/626729420.db2.gz RMVZCQIUZCZSIS-DGCLKSJQSA-N 1 0 293.382 3.486 20 10 CGCDRO COC[C@H]([NH2+][C@@H](C)c1ccc(C)c(C)c1O)C1CC1 ZINC000756768786 626730580 /nfs/dbraw/zinc/73/05/80/626730580.db2.gz MFWCTNCFWDPWID-WFASDCNBSA-N 1 0 263.381 3.085 20 10 CGCDRO C[C@H]1C[C@H]([NH2+][C@@H]2CCO[C@H](C)C2)c2c1c(F)ccc2O ZINC000756781576 626732131 /nfs/dbraw/zinc/73/21/31/626732131.db2.gz GWZDNWISASIUMI-WGBDABJCSA-N 1 0 279.355 3.237 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2[C@@H](C)[C@@H](OC)C2(C)C)c1 ZINC000756789664 626732469 /nfs/dbraw/zinc/73/24/69/626732469.db2.gz HXPIENNIWSLLQY-OXUXUCFPSA-N 1 0 293.407 3.111 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCOC2CCC2)c(O)c1C ZINC000756836456 626735942 /nfs/dbraw/zinc/73/59/42/626735942.db2.gz ARTZCZKMONIZCR-ZDUSSCGKSA-N 1 0 263.381 3.229 20 10 CGCDRO C[C@@H]([NH2+]CCOC1CCC1)c1cc(Cl)ccc1O ZINC000756836461 626736198 /nfs/dbraw/zinc/73/61/98/626736198.db2.gz ARYDDHRKEHWTPU-SNVBAGLBSA-N 1 0 269.772 3.265 20 10 CGCDRO Cc1ccc([C@H](C)Nc2cnn(-c3cc[nH+]cc3)c2)c(O)c1 ZINC000756867472 626738376 /nfs/dbraw/zinc/73/83/76/626738376.db2.gz KRROWMIVTFXMDV-ZDUSSCGKSA-N 1 0 294.358 3.454 20 10 CGCDRO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCOC1)c1cc(F)cc(F)c1[O-] ZINC000757635912 626795847 /nfs/dbraw/zinc/79/58/47/626795847.db2.gz BRBBRYSLOWBOGO-GARJFASQSA-N 1 0 285.334 3.136 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCOC2)c2c1c(F)ccc2O ZINC000757658920 626798197 /nfs/dbraw/zinc/79/81/97/626798197.db2.gz VJDLZNFGPHVPGH-WZRBSPASSA-N 1 0 279.355 3.096 20 10 CGCDRO CCOc1ccc(C[NH2+][C@H](c2cccnc2)C2CC2)c(O)c1 ZINC000758620817 626851280 /nfs/dbraw/zinc/85/12/80/626851280.db2.gz DOPTUYHCOLBQFJ-SFHVURJKSA-N 1 0 298.386 3.427 20 10 CGCDRO COC1(C[C@@H](C)[NH2+]Cc2ccc3c(c2)CCO3)CCC1 ZINC000759988496 626934602 /nfs/dbraw/zinc/93/46/02/626934602.db2.gz KHXHXWGMPFPZFZ-CYBMUJFWSA-N 1 0 275.392 3.059 20 10 CGCDRO CC[C@H](CC(F)(F)F)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000760656265 626983697 /nfs/dbraw/zinc/98/36/97/626983697.db2.gz HKHLYTFWDGDDFN-GFCCVEGCSA-N 1 0 273.298 3.442 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)c1 ZINC000762610925 627117493 /nfs/dbraw/zinc/11/74/93/627117493.db2.gz AJVYMIZKEBSODO-VHDGCEQUSA-N 1 0 295.473 3.170 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)c1 ZINC000762610926 627117548 /nfs/dbraw/zinc/11/75/48/627117548.db2.gz AJVYMIZKEBSODO-YUELXQCFSA-N 1 0 295.473 3.170 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2cc(C)n[nH]2)cc1 ZINC000766085592 627293737 /nfs/dbraw/zinc/29/37/37/627293737.db2.gz VASPMBYSDAIBNN-ZDUSSCGKSA-N 1 0 272.396 3.025 20 10 CGCDRO Cc1ccccc1[C@@H](CO)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000766402406 627327871 /nfs/dbraw/zinc/32/78/71/627327871.db2.gz XEXRGSIRPGHWJN-HNAYVOBHSA-N 1 0 298.430 3.445 20 10 CGCDRO C[C@]1(C[NH2+]Cc2cc(Cl)ccc2O)CCO[C@H]1C1CC1 ZINC000767195641 627389058 /nfs/dbraw/zinc/38/90/58/627389058.db2.gz OLAAGLUFSQXNOL-JKSUJKDBSA-N 1 0 295.810 3.340 20 10 CGCDRO CCC[NH+](CCC)Cc1ccc(OCC)cc1O ZINC000768138502 627462991 /nfs/dbraw/zinc/46/29/91/627462991.db2.gz XXQGMKVYRNLJGF-UHFFFAOYSA-N 1 0 251.370 3.413 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCO[C@H](c3ccccc3)C2)cc1 ZINC000768236605 627470266 /nfs/dbraw/zinc/47/02/66/627470266.db2.gz HEDHDDUECPOGSK-IBGZPJMESA-N 1 0 296.414 3.326 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)C2CC2)cc1F ZINC000768334363 627473685 /nfs/dbraw/zinc/47/36/85/627473685.db2.gz GAKYUQSYVGRWHX-UHFFFAOYSA-N 1 0 250.361 3.266 20 10 CGCDRO CCC[C@H](C)[N@H+](C)Cc1cc(OC)c(OC)cc1O ZINC000768439070 627480014 /nfs/dbraw/zinc/48/00/14/627480014.db2.gz GBKWWKRZMJEKOU-NSHDSACASA-N 1 0 267.369 3.030 20 10 CGCDRO COc1cc(C[NH+]2CCc3ccccc3CC2)c(O)cc1C ZINC000768446949 627480877 /nfs/dbraw/zinc/48/08/77/627480877.db2.gz POKHIGLNMUVHKO-UHFFFAOYSA-N 1 0 297.398 3.310 20 10 CGCDRO CCC1(CC)CC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000768464424 627481473 /nfs/dbraw/zinc/48/14/73/627481473.db2.gz QZKYMHOPHSFQQN-UHFFFAOYSA-N 1 0 293.407 3.422 20 10 CGCDRO C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1O)CCCC2 ZINC000768463963 627481477 /nfs/dbraw/zinc/48/14/77/627481477.db2.gz YCVPNHKGBNLERK-DYVFJYSZSA-N 1 0 289.419 3.006 20 10 CGCDRO COc1cccc(C[N@@H+]2CCOc3ccccc3[C@H]2C)c1O ZINC000768930194 627509666 /nfs/dbraw/zinc/50/96/66/627509666.db2.gz MNKPHLBYRMQJGW-CYBMUJFWSA-N 1 0 299.370 3.356 20 10 CGCDRO CN(C)c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000769426792 627551133 /nfs/dbraw/zinc/55/11/33/627551133.db2.gz WXKKSGWRTXEOTR-IYBDPMFKSA-N 1 0 258.409 3.375 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@H](C)C[C@H]2CC)c1 ZINC000769447742 627553796 /nfs/dbraw/zinc/55/37/96/627553796.db2.gz KHVRSLAIPMZRAS-TZMCWYRMSA-N 1 0 263.381 3.411 20 10 CGCDRO CC[N@@H+]1CC[C@H](N(C)Cc2c(O)cccc2Cl)C[C@H]1C ZINC000769469665 627556549 /nfs/dbraw/zinc/55/65/49/627556549.db2.gz CMKJVZATJWRVEH-OLZOCXBDSA-N 1 0 296.842 3.350 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)C[C@H](C)COC)cc1 ZINC000769534557 627563565 /nfs/dbraw/zinc/56/35/65/627563565.db2.gz WDUAUHIYLRMCKF-HNNXBMFYSA-N 1 0 278.440 3.247 20 10 CGCDRO COc1ccc(C[NH2+]Cc2ccnc(SC)c2)cc1C ZINC000771892506 627742137 /nfs/dbraw/zinc/74/21/37/627742137.db2.gz BZPYHDZUOOCMKH-UHFFFAOYSA-N 1 0 288.416 3.410 20 10 CGCDRO CCOc1cccc(C[N@H+](C)Cc2ccc(N(C)C)cc2)n1 ZINC000771935492 627746727 /nfs/dbraw/zinc/74/67/27/627746727.db2.gz WASPZIYOGUEBKD-UHFFFAOYSA-N 1 0 299.418 3.178 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CC[C@H]1c1ccccc1 ZINC000771940802 627748203 /nfs/dbraw/zinc/74/82/03/627748203.db2.gz WOYBPTQZGYSRRO-HNNXBMFYSA-N 1 0 269.344 3.348 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@H](COC)C2)cc1 ZINC000773756365 627911373 /nfs/dbraw/zinc/91/13/73/627911373.db2.gz KNNDEZVSAAFQDW-INIZCTEOSA-N 1 0 276.424 3.001 20 10 CGCDRO CCN(C)c1ccc(C[N@H+](C)[C@@H]2CCSC2)cc1 ZINC000773807389 627916577 /nfs/dbraw/zinc/91/65/77/627916577.db2.gz XWUYCOWHBZGVMH-OAHLLOKOSA-N 1 0 264.438 3.080 20 10 CGCDRO CCN(C)c1ccc(C[NH2+][C@@H](C)C2CCOCC2)cc1 ZINC000773812079 627916736 /nfs/dbraw/zinc/91/67/36/627916736.db2.gz OZGAVPIQHAUUTG-AWEZNQCLSA-N 1 0 276.424 3.047 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCCSCC2)cc1 ZINC000773808358 627916902 /nfs/dbraw/zinc/91/69/02/627916902.db2.gz KZUWDQWDQOAZLI-UHFFFAOYSA-N 1 0 264.438 3.082 20 10 CGCDRO CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000775418985 628092988 /nfs/dbraw/zinc/09/29/88/628092988.db2.gz RXMCHJIWMXMUMZ-YSVLISHTSA-N 1 0 276.424 3.218 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H](C)COC)c1cc(Cl)ccc1O ZINC000775487717 628099634 /nfs/dbraw/zinc/09/96/34/628099634.db2.gz CTYMWSYHEPODLV-ZWNOBZJWSA-N 1 0 271.788 3.369 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](CO)Cc1ccccc1)c1ccccc1O ZINC000775488128 628099648 /nfs/dbraw/zinc/09/96/48/628099648.db2.gz HTCTUPLKDJKFLJ-WMZOPIPTSA-N 1 0 299.414 3.284 20 10 CGCDRO CC[C@H]([NH2+]CCN1Cc2ccccc2C1)c1ccccc1O ZINC000775495949 628101348 /nfs/dbraw/zinc/10/13/48/628101348.db2.gz CEUQHEPSDGPXTC-SFHVURJKSA-N 1 0 296.414 3.449 20 10 CGCDRO CC[C@@H](C)[C@@H](O)C[NH2+][C@@H](CC)c1cc(Cl)ccc1O ZINC000775503418 628101704 /nfs/dbraw/zinc/10/17/04/628101704.db2.gz IEYJXUDFPQXONC-DGFSRKRXSA-N 1 0 285.815 3.493 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](CO)CC1CC1)c1cc(Cl)ccc1O ZINC000775523563 628103228 /nfs/dbraw/zinc/10/32/28/628103228.db2.gz LADRFPMWCVBFLV-TZMCWYRMSA-N 1 0 283.799 3.247 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H]2c2cc(C)no2)c1 ZINC000775655646 628119792 /nfs/dbraw/zinc/11/97/92/628119792.db2.gz JPBPPRGJMRFKCR-AWEZNQCLSA-N 1 0 288.347 3.034 20 10 CGCDRO Cc1cc(Cl)cc(C[N@H+](CCO)CC(C)(C)C)c1O ZINC000775681062 628124836 /nfs/dbraw/zinc/12/48/36/628124836.db2.gz MQNFJRYQNVAVHA-UHFFFAOYSA-N 1 0 285.815 3.194 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccnc(N(C)C)c1)c1ccc(N(C)C)cc1 ZINC000775834585 628141098 /nfs/dbraw/zinc/14/10/98/628141098.db2.gz AWSVFANKPIQUAH-CQSZACIVSA-N 1 0 298.434 3.064 20 10 CGCDRO Cc1ccc([C@@H](O)C[NH2+]Cc2cc(Cl)cc(C)c2O)o1 ZINC000776216896 628181764 /nfs/dbraw/zinc/18/17/64/628181764.db2.gz XYYAMMAXOACJEW-ZDUSSCGKSA-N 1 0 295.766 3.079 20 10 CGCDRO CCC(CC)[C@@H](CC[NH2+]Cc1cc(OC)ccc1O)OC ZINC000776254017 628185244 /nfs/dbraw/zinc/18/52/44/628185244.db2.gz ZJIDLEUPXFENQI-QGZVFWFLSA-N 1 0 295.423 3.332 20 10 CGCDRO CCCCN(C)C[C@@H](C)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000810244954 628243157 /nfs/dbraw/zinc/24/31/57/628243157.db2.gz LHESSQSVTRQRBD-OLZOCXBDSA-N 1 0 282.403 3.302 20 10 CGCDRO Cc1cccc(C[NH2+][C@]2(CO)C[C@H](C)CC(C)(C)C2)c1O ZINC000777482879 628275485 /nfs/dbraw/zinc/27/54/85/628275485.db2.gz CWNRWJVDQKREJG-FZKQIMNGSA-N 1 0 291.435 3.368 20 10 CGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H]1CCO[C@H](C)C1 ZINC000779002057 628382706 /nfs/dbraw/zinc/38/27/06/628382706.db2.gz JQILVDSTYLZBBT-HUUCEWRRSA-N 1 0 277.408 3.419 20 10 CGCDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@@H]1Cc1ccccc1 ZINC000779022795 628383153 /nfs/dbraw/zinc/38/31/53/628383153.db2.gz GVDLUWHYQVKPGK-MRXNPFEDSA-N 1 0 271.335 3.348 20 10 CGCDRO C[C@@H](COc1ccccc1)[NH2+]Cc1cc(F)ccc1O ZINC000779060852 628386162 /nfs/dbraw/zinc/38/61/62/628386162.db2.gz MJDABFUHIYMHMT-LBPRGKRZSA-N 1 0 275.323 3.088 20 10 CGCDRO CC[C@@H]([NH2+][C@H]1CCn2ccnc2C1)c1ccc(N(C)C)cc1 ZINC000779067620 628386739 /nfs/dbraw/zinc/38/67/39/628386739.db2.gz XURZRNYGJRCZQA-DOTOQJQBSA-N 1 0 298.434 3.005 20 10 CGCDRO COCC1(C)CC[NH+](Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000779606430 628418003 /nfs/dbraw/zinc/41/80/03/628418003.db2.gz QLKZQLIBNWAPMZ-UHFFFAOYSA-N 1 0 294.414 3.140 20 10 CGCDRO CC(C)(CC(F)(F)F)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000780591309 628503435 /nfs/dbraw/zinc/50/34/35/628503435.db2.gz YWZINLXTHXOTCE-UHFFFAOYSA-N 1 0 273.298 3.442 20 10 CGCDRO Oc1cccc(Cl)c1C[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000781532385 628569072 /nfs/dbraw/zinc/56/90/72/628569072.db2.gz PIWOANJPUIKDEB-SECBINFHSA-N 1 0 291.725 3.249 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@]3(CC[C@H](C)C3)C2)c1 ZINC000781929928 628606180 /nfs/dbraw/zinc/60/61/80/628606180.db2.gz TVXAPYKKSVXKHA-SUMWQHHRSA-N 1 0 275.392 3.413 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](C)c1ccccc1O)C1CCOCC1 ZINC000783517983 628720121 /nfs/dbraw/zinc/72/01/21/628720121.db2.gz MCRMHRCLXXQTJC-SWLSCSKDSA-N 1 0 263.381 3.248 20 10 CGCDRO C[C@@H]([NH2+]CC[C@@H]1COc2ccccc2O1)c1ccccc1O ZINC000783519814 628720917 /nfs/dbraw/zinc/72/09/17/628720917.db2.gz UHSLKKVUHZBLTD-ZIAGYGMSSA-N 1 0 299.370 3.273 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1Cc2ccccc2OC[C@@H]1C ZINC000783598485 628730202 /nfs/dbraw/zinc/73/02/02/628730202.db2.gz SZKBWTCOWREXPI-ZDUSSCGKSA-N 1 0 299.370 3.184 20 10 CGCDRO COc1cc(C[N@H+](C)C[C@@H]2CC=CCC2)c(O)cc1C ZINC000784010059 628765019 /nfs/dbraw/zinc/76/50/19/628765019.db2.gz MSBCOKKQZZNJCE-CQSZACIVSA-N 1 0 275.392 3.497 20 10 CGCDRO COc1ccc2c(c1)CC[C@H]([NH2+]Cc1cc(C)ccc1O)C2 ZINC000784625664 628825830 /nfs/dbraw/zinc/82/58/30/628825830.db2.gz ZHMNJJUVEHGMKF-KRWDZBQOSA-N 1 0 297.398 3.356 20 10 CGCDRO COCCSCCC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000785808909 628889068 /nfs/dbraw/zinc/88/90/68/628889068.db2.gz LZTBQXZQNKWQJG-AWEZNQCLSA-N 1 0 296.480 3.173 20 10 CGCDRO COc1ccc(C[NH2+][C@H](CO)Cc2cccc(C)c2)cc1C ZINC000786161894 628916954 /nfs/dbraw/zinc/91/69/54/628916954.db2.gz BNFVEDYRBIWRQG-SFHVURJKSA-N 1 0 299.414 3.005 20 10 CGCDRO Oc1ccccc1C[N@H+](CCOCC(F)F)C1CCCC1 ZINC000787246300 629004359 /nfs/dbraw/zinc/00/43/59/629004359.db2.gz MIUIGKLRXSQSKG-UHFFFAOYSA-N 1 0 299.361 3.419 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H](O)c2ccsc2)c(O)c1 ZINC000788601446 629068462 /nfs/dbraw/zinc/06/84/62/629068462.db2.gz JPMNHOZEUGWFFS-WFASDCNBSA-N 1 0 291.416 3.455 20 10 CGCDRO CCCN(CC)CC[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000788607762 629069222 /nfs/dbraw/zinc/06/92/22/629069222.db2.gz CRPYPOLRAGYCQH-HNNXBMFYSA-N 1 0 278.440 3.392 20 10 CGCDRO CCN(CC)[C@H](C)C[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000788803565 629083417 /nfs/dbraw/zinc/08/34/17/629083417.db2.gz GNQVSEKJKUWCKS-CABCVRRESA-N 1 0 278.440 3.390 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H]1CC[C@@H](O)C1)c1cc(Cl)ccc1O ZINC000788984252 629093874 /nfs/dbraw/zinc/09/38/74/629093874.db2.gz JGDNANWNDSYISK-QKCSRTOESA-N 1 0 283.799 3.247 20 10 CGCDRO COc1ccc(C[NH2+]C[C@@H]2N(C)CCCC2(C)C)cc1C ZINC000790486694 629212738 /nfs/dbraw/zinc/21/27/38/629212738.db2.gz YXUNIWFDNLJNEE-KRWDZBQOSA-N 1 0 290.451 3.214 20 10 CGCDRO C[C@@H]1CCSCC[N@@H+]1Cc1c(O)ccc2ccncc21 ZINC000790482303 629213200 /nfs/dbraw/zinc/21/32/00/629213200.db2.gz VZFNQVLQAQFBSU-GFCCVEGCSA-N 1 0 288.416 3.268 20 10 CGCDRO Cc1c(C[N@H+](C)Cc2cc(Cl)cc(C)c2O)cnn1C ZINC000790938614 629241978 /nfs/dbraw/zinc/24/19/78/629241978.db2.gz LFAOWJFOWODONK-UHFFFAOYSA-N 1 0 293.798 3.028 20 10 CGCDRO C[C@@H](O)C[C@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000790934290 629241992 /nfs/dbraw/zinc/24/19/92/629241992.db2.gz JTRNMIXARRXQNA-UKRRQHHQSA-N 1 0 294.414 3.017 20 10 CGCDRO CC(C)[C@@H]1CC[N@@H+]1Cc1c(O)cccc1Br ZINC000862262349 629333155 /nfs/dbraw/zinc/33/31/55/629333155.db2.gz XNFJONIVPHMGLB-LBPRGKRZSA-N 1 0 284.197 3.385 20 10 CGCDRO COCC[N@H+](Cc1c(O)cccc1OC)[C@@H]1CC[C@@H](C)C1 ZINC000792193000 629348096 /nfs/dbraw/zinc/34/80/96/629348096.db2.gz PHKLYEQMGJBQIM-ZIAGYGMSSA-N 1 0 293.407 3.038 20 10 CGCDRO c1cc(N2CCCCC2)ccc1C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000862439954 629373378 /nfs/dbraw/zinc/37/33/78/629373378.db2.gz CGBKPOQUJGLJEN-IYBDPMFKSA-N 1 0 256.393 3.129 20 10 CGCDRO CN(C)c1ccc(C[N@H+](CC2(F)CC2)C2CC2)cc1 ZINC000792780424 629381473 /nfs/dbraw/zinc/38/14/73/629381473.db2.gz PHWYINNBWQUQRV-UHFFFAOYSA-N 1 0 262.372 3.219 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCCCF)c1 ZINC000792874346 629386689 /nfs/dbraw/zinc/38/66/89/629386689.db2.gz FKFQERYNGAERFV-NSHDSACASA-N 1 0 255.333 3.191 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CCCC3(CC3)CC2)c1 ZINC000862538642 629395073 /nfs/dbraw/zinc/39/50/73/629395073.db2.gz CMXJXLPVZRNKOD-UHFFFAOYSA-N 1 0 261.365 3.167 20 10 CGCDRO CO[C@@H]1CCC[C@@H]([NH2+]Cc2ccc3c(c2)CCCN3C)C1 ZINC000792942055 629396148 /nfs/dbraw/zinc/39/61/48/629396148.db2.gz IWIXWPIYIQODSO-IAGOWNOFSA-N 1 0 288.435 3.116 20 10 CGCDRO COc1ccc(C[NH2+][C@H](C)C2CCSCC2)c(O)c1 ZINC000793388064 629452797 /nfs/dbraw/zinc/45/27/97/629452797.db2.gz KGGGGZSMODPRII-LLVKDONJSA-N 1 0 281.421 3.022 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)c1 ZINC000794656281 629564351 /nfs/dbraw/zinc/56/43/51/629564351.db2.gz SRVHAIWJMGNHLF-CZUORRHYSA-N 1 0 275.392 3.008 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](OC)C(C)C)c1ccc(C)cc1O ZINC000794804200 629579612 /nfs/dbraw/zinc/57/96/12/629579612.db2.gz TXIVWBDCRDOOFM-GOEBONIOSA-N 1 0 265.397 3.412 20 10 CGCDRO CCOC[C@H](C)[NH2+][C@@H](CC)c1ccc(C)cc1O ZINC000794816868 629581040 /nfs/dbraw/zinc/58/10/40/629581040.db2.gz RKKWBICLVQXVLM-JSGCOSHPSA-N 1 0 251.370 3.166 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](OC)C(F)(F)F)c1ccc(C)cc1O ZINC000794815430 629581259 /nfs/dbraw/zinc/58/12/59/629581259.db2.gz UVOSFFBJCDHPTJ-WCQYABFASA-N 1 0 291.313 3.319 20 10 CGCDRO CCN(CC)[C@H](C)C[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000794835182 629585095 /nfs/dbraw/zinc/58/50/95/629585095.db2.gz ZKVZQUMJZJGAET-YRGRVCCFSA-N 1 0 294.414 3.400 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](CO)CC2CCC2)c(O)c1C ZINC000794837181 629585752 /nfs/dbraw/zinc/58/57/52/629585752.db2.gz XBIIVAWKEADKRA-UKRRQHHQSA-N 1 0 277.408 3.211 20 10 CGCDRO CN(C)c1ccc(C[N@H+](CCCCF)C2CC2)cc1 ZINC000795869567 629722671 /nfs/dbraw/zinc/72/26/71/629722671.db2.gz WBYOROAWQGQSSW-UHFFFAOYSA-N 1 0 264.388 3.467 20 10 CGCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC(C)=C(C)C2)c1O ZINC000796590829 629804578 /nfs/dbraw/zinc/80/45/78/629804578.db2.gz XIVWZXVFKJVAGC-UHFFFAOYSA-N 1 0 277.339 3.276 20 10 CGCDRO CC[C@@H]([NH2+]CC1CC[NH+](CC)CC1)c1ccc(F)cc1[O-] ZINC000796748380 629824628 /nfs/dbraw/zinc/82/46/28/629824628.db2.gz UQDPHXUDLFMACQ-MRXNPFEDSA-N 1 0 294.414 3.304 20 10 CGCDRO Cc1ccc(O)c(CNc2[nH+]ccn2-c2ccccc2)c1 ZINC000798189422 630032654 /nfs/dbraw/zinc/03/26/54/630032654.db2.gz ZBLCJRWWHWACNJ-UHFFFAOYSA-N 1 0 279.343 3.498 20 10 CGCDRO CCC[N@H+](Cc1cnc(Cl)cn1)Cc1ccccc1O ZINC000799125997 630149303 /nfs/dbraw/zinc/14/93/03/630149303.db2.gz XECAAYTVKOXAKP-UHFFFAOYSA-N 1 0 291.782 3.248 20 10 CGCDRO CC(C)(C[NH2+]Cc1ccc2c(c1)CCO2)C(F)(F)F ZINC000800888565 630309337 /nfs/dbraw/zinc/30/93/37/630309337.db2.gz IVPUUIUHFJLKLE-UHFFFAOYSA-N 1 0 273.298 3.300 20 10 CGCDRO CCCC[N@H+](Cc1ccccc1O)[C@@H](C)c1nc(C)no1 ZINC000801596866 630346609 /nfs/dbraw/zinc/34/66/09/630346609.db2.gz RGMKFABLTTTYOV-LBPRGKRZSA-N 1 0 289.379 3.447 20 10 CGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@@H](F)C3)c2c1 ZINC000840103777 630595079 /nfs/dbraw/zinc/59/50/79/630595079.db2.gz FOSAHVFEUAIDBB-GFCCVEGCSA-N 1 0 275.323 3.098 20 10 CGCDRO CCOc1ccc(C[NH2+]C[C@H]2COc3ccccc32)c(O)c1 ZINC000808451293 630646411 /nfs/dbraw/zinc/64/64/11/630646411.db2.gz LNYXMPVPFCNCHN-AWEZNQCLSA-N 1 0 299.370 3.057 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@]3(CCOC3)C2)c1 ZINC000840141491 630657067 /nfs/dbraw/zinc/65/70/67/630657067.db2.gz PZDRQIFYZAZJTE-KRWDZBQOSA-N 1 0 275.392 3.012 20 10 CGCDRO CCN(CC)CC[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808672202 630662654 /nfs/dbraw/zinc/66/26/54/630662654.db2.gz GKNNFRMUFWFVJE-GFCCVEGCSA-N 1 0 284.831 3.346 20 10 CGCDRO CC[C@H](O)CC[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808703278 630667043 /nfs/dbraw/zinc/66/70/43/630667043.db2.gz VVGFZDCIDXHMRD-PWSUYJOCSA-N 1 0 271.788 3.166 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2C[C@@H](O)C2(C)C)c1O ZINC000808712712 630669140 /nfs/dbraw/zinc/66/91/40/630669140.db2.gz ANLLPDLULGMYJM-TVYUQYBPSA-N 1 0 283.799 3.164 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CC[C@@H]2CCOC2)c1O ZINC000808714033 630669451 /nfs/dbraw/zinc/66/94/51/630669451.db2.gz RNPBSUBZJKUVMZ-NWDGAFQWSA-N 1 0 283.799 3.431 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCC[C@@H](C)O)c1O ZINC000808716812 630670243 /nfs/dbraw/zinc/67/02/43/630670243.db2.gz WQSCNWPMSBQKDM-MNOVXSKESA-N 1 0 271.788 3.166 20 10 CGCDRO CCCN(CC[NH+]1CCCC1)Cc1c(O)cccc1Cl ZINC000809700905 630785536 /nfs/dbraw/zinc/78/55/36/630785536.db2.gz QXTUIHRINDFFAY-UHFFFAOYSA-N 1 0 296.842 3.353 20 10 CGCDRO CCCN1CCC[C@H]1C[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000809715235 630788753 /nfs/dbraw/zinc/78/87/53/630788753.db2.gz DRSNUYQWPNCFSQ-HNNXBMFYSA-N 1 0 296.842 3.318 20 10 CGCDRO COc1ccc(O)c(C[NH2+]Cc2ccc3[nH]c(C)cc3c2)c1 ZINC000809720165 630791182 /nfs/dbraw/zinc/79/11/82/630791182.db2.gz ZISVOQQEOQJXGV-UHFFFAOYSA-N 1 0 296.370 3.480 20 10 CGCDRO COc1ccc(O)c(C[NH+]2CCC(c3cccnc3)CC2)c1 ZINC000809738570 630795406 /nfs/dbraw/zinc/79/54/06/630795406.db2.gz ZHPMBXWTLBLGQN-UHFFFAOYSA-N 1 0 298.386 3.175 20 10 CGCDRO Cc1cccc(C[N@@H+](C)Cc2ccccc2N(C)C)c1O ZINC000809788150 630809859 /nfs/dbraw/zinc/80/98/59/630809859.db2.gz OJLDKVRQIIITEH-UHFFFAOYSA-N 1 0 284.403 3.399 20 10 CGCDRO CN(C)c1ccccc1C[N@H+](C)Cc1cc(F)ccc1O ZINC000809788474 630809895 /nfs/dbraw/zinc/80/98/95/630809895.db2.gz ROXOXNAVRKIWTH-UHFFFAOYSA-N 1 0 288.366 3.229 20 10 CGCDRO CC[C@@H]([NH2+]CC(C)(C)O)c1ccc(C(F)(F)F)cc1O ZINC000810218259 630854551 /nfs/dbraw/zinc/85/45/51/630854551.db2.gz RGORVYYVEOLGBX-LLVKDONJSA-N 1 0 291.313 3.223 20 10 CGCDRO CO[C@H](C)[C@@H](C)[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000810257253 630860589 /nfs/dbraw/zinc/86/05/89/630860589.db2.gz ORBHPUFNYANIOR-BTQIBKBOSA-N 1 0 267.344 3.093 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](CO)C2CCCC2)cc1 ZINC000810259372 630861700 /nfs/dbraw/zinc/86/17/00/630861700.db2.gz HYUWVCHPOOCQCY-KDOFPFPSSA-N 1 0 290.451 3.344 20 10 CGCDRO COc1cccc(O)c1C[NH+]1CCC(C)(C2CC2)CC1 ZINC000811515236 631082006 /nfs/dbraw/zinc/08/20/06/631082006.db2.gz WUJKSGIFPBJBMW-UHFFFAOYSA-N 1 0 275.392 3.413 20 10 CGCDRO C[C@H]1C[N@H+](Cc2cc3c(cc2O)CCC3)CCC1(F)F ZINC000811778606 631119309 /nfs/dbraw/zinc/11/93/09/631119309.db2.gz CKCMUZLBTYKNJD-NSHDSACASA-N 1 0 281.346 3.358 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c1 ZINC000811778774 631119784 /nfs/dbraw/zinc/11/97/84/631119784.db2.gz NSFYTNZQHLCHLG-RDJZCZTQSA-N 1 0 289.419 3.398 20 10 CGCDRO CC(C)[N@H+](Cc1cc(Cl)ccc1O)[C@@H]1CCOC1 ZINC000812776219 631305863 /nfs/dbraw/zinc/30/58/63/631305863.db2.gz KHNWHPHLVSVAFD-CYBMUJFWSA-N 1 0 269.772 3.045 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+](C(C)C)[C@H]2CCOC2)c1O ZINC000812777161 631306648 /nfs/dbraw/zinc/30/66/48/631306648.db2.gz YCZVNJPTLVGKHG-AWEZNQCLSA-N 1 0 283.799 3.353 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCSCC3)cc2)[C@@H]1C ZINC000813856040 631471682 /nfs/dbraw/zinc/47/16/82/631471682.db2.gz XKNGIMGWVUZXMZ-CPUCHLNUSA-N 1 0 290.476 3.374 20 10 CGCDRO CO[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N(C)C)c(C)c1 ZINC000815108284 631719222 /nfs/dbraw/zinc/71/92/22/631719222.db2.gz VJIDRKHGZHWPPZ-RDJZCZTQSA-N 1 0 276.424 3.108 20 10 CGCDRO COc1ccc(F)c(C[NH2+]Cc2ccc(N(C)C)cc2)c1 ZINC000815113490 631720468 /nfs/dbraw/zinc/72/04/68/631720468.db2.gz CTRJDUONFCIHLQ-UHFFFAOYSA-N 1 0 288.366 3.190 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CCC[C@@H](O)C2)c(O)c1 ZINC000815583192 631800197 /nfs/dbraw/zinc/80/01/97/631800197.db2.gz YYVYFTWEFGZQTN-RRFJBIMHSA-N 1 0 277.408 3.211 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2CCC[C@@H](O)C2)c(O)c1 ZINC000815583193 631800600 /nfs/dbraw/zinc/80/06/00/631800600.db2.gz YYVYFTWEFGZQTN-SOUVJXGZSA-N 1 0 277.408 3.211 20 10 CGCDRO Oc1c(C[NH2+]CCc2ccco2)ccc2ccccc21 ZINC000816529134 632003670 /nfs/dbraw/zinc/00/36/70/632003670.db2.gz HSZHTMSMAHXVFS-UHFFFAOYSA-N 1 0 267.328 3.471 20 10 CGCDRO CO[C@@H](C)CC[NH2+]Cc1ccc2ccccc2c1O ZINC000816545535 632007670 /nfs/dbraw/zinc/00/76/70/632007670.db2.gz UMMDSVQSXPZUGL-LBPRGKRZSA-N 1 0 259.349 3.060 20 10 CGCDRO CO[C@H]1C[C@@H]([NH2+]Cc2ccc3ccccc3c2O)C1(C)C ZINC000816554702 632009697 /nfs/dbraw/zinc/00/96/97/632009697.db2.gz HCODNJWVWBFXTD-CVEARBPZSA-N 1 0 285.387 3.449 20 10 CGCDRO CC(C)(CO)CCC[NH2+]Cc1ccc2ccccc2c1O ZINC000816553198 632010306 /nfs/dbraw/zinc/01/03/06/632010306.db2.gz MJZKIOGNKSZLLX-UHFFFAOYSA-N 1 0 287.403 3.434 20 10 CGCDRO C[C@]1(C[NH2+]Cc2ccc3ccccc3c2O)CCCO1 ZINC000816557156 632012136 /nfs/dbraw/zinc/01/21/36/632012136.db2.gz GNBHQEBZIJCQDH-QGZVFWFLSA-N 1 0 271.360 3.204 20 10 CGCDRO CC(C)[C@@H]1C[N@H+](Cc2ccc3ccccc3c2O)CCO1 ZINC000816564769 632013512 /nfs/dbraw/zinc/01/35/12/632013512.db2.gz PJTUHRGEYQFOAY-KRWDZBQOSA-N 1 0 285.387 3.402 20 10 CGCDRO Cc1c(C[N@H+](C)Cc2ccc3ccccc3c2O)cnn1C ZINC000816594648 632018794 /nfs/dbraw/zinc/01/87/94/632018794.db2.gz KVVGRBABEXIJBZ-UHFFFAOYSA-N 1 0 295.386 3.219 20 10 CGCDRO Oc1c(C[NH2+]CCCOC(F)F)ccc2ccccc21 ZINC000816601252 632021873 /nfs/dbraw/zinc/02/18/73/632021873.db2.gz WKXBPCWCNZWKHR-UHFFFAOYSA-N 1 0 281.302 3.264 20 10 CGCDRO C[C@@H]1COCC[C@H]1C[NH2+]Cc1ccc2ccccc2c1O ZINC000816609046 632022413 /nfs/dbraw/zinc/02/24/13/632022413.db2.gz QKZIDOZLCXIGJT-HIFRSBDPSA-N 1 0 285.387 3.308 20 10 CGCDRO CCOCC(C)(C)[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000816638880 632028268 /nfs/dbraw/zinc/02/82/68/632028268.db2.gz AHEYYSBLOIBZMJ-UHFFFAOYSA-N 1 0 271.788 3.259 20 10 CGCDRO c1cc(C[NH2+]C[C@@H]2CC23CCSCC3)cc2c1OCC2 ZINC000817411241 632142456 /nfs/dbraw/zinc/14/24/56/632142456.db2.gz QCVDATMOTOTBEZ-HNNXBMFYSA-N 1 0 289.444 3.244 20 10 CGCDRO CC[C@@H]1C[C@H]([NH2+]C/C=C/c2ccc(N(C)C)cc2)CCO1 ZINC000817414708 632144793 /nfs/dbraw/zinc/14/47/93/632144793.db2.gz ITLUGOBZXNYSEC-WXFDERKXSA-N 1 0 288.435 3.313 20 10 CGCDRO CC[C@@H]([NH2+][C@H](C)C1(OC)CCOCC1)c1ccccc1O ZINC000817420326 632147476 /nfs/dbraw/zinc/14/74/76/632147476.db2.gz RRHUQXURSJAJLS-UKRRQHHQSA-N 1 0 293.407 3.017 20 10 CGCDRO CC[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1ccc(F)cc1[O-] ZINC000817938206 632237677 /nfs/dbraw/zinc/23/76/77/632237677.db2.gz GUHKCQFMTBNTIB-CQSZACIVSA-N 1 0 280.387 3.234 20 10 CGCDRO Oc1ccccc1[C@H](CCc1ccccc1)N[C@H]1CC[NH2+]C1 ZINC000817944625 632242182 /nfs/dbraw/zinc/24/21/82/632242182.db2.gz IKYUPIZZHKIBIL-WMZOPIPTSA-N 1 0 296.414 3.018 20 10 CGCDRO C[C@H]([NH2+]CCc1ccc(N)cc1)c1cccc([N+](=O)[O-])c1 ZINC000817955779 632251156 /nfs/dbraw/zinc/25/11/56/632251156.db2.gz HQOIQSZFFFJPQZ-LBPRGKRZSA-N 1 0 285.347 3.070 20 10 CGCDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)c1cccnc1Cl ZINC000817955803 632251257 /nfs/dbraw/zinc/25/12/57/632251257.db2.gz IDWHBMPJTPRCMS-LLVKDONJSA-N 1 0 275.783 3.211 20 10 CGCDRO CC(=O)Nc1cccc([C@H](C)[NH2+]CCc2ccc(N)cc2)c1 ZINC000817956093 632251265 /nfs/dbraw/zinc/25/12/65/632251265.db2.gz QMKQIDUGPUBCMA-ZDUSSCGKSA-N 1 0 297.402 3.121 20 10 CGCDRO CC[C@H]([NH2+][C@@H](CN)CC(C)C)c1ccc(N(C)C)cc1 ZINC000817958181 632253720 /nfs/dbraw/zinc/25/37/20/632253720.db2.gz IMYVHLFOJMTCJF-WBVHZDCISA-N 1 0 277.456 3.167 20 10 CGCDRO CC(C)C[C@H](CN)[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000817958378 632253742 /nfs/dbraw/zinc/25/37/42/632253742.db2.gz IYNCQZDLXZZGTG-LOWVWBTDSA-N 1 0 280.387 3.043 20 10 CGCDRO CC(C)C[C@@H](CN)[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000817958739 632254794 /nfs/dbraw/zinc/25/47/94/632254794.db2.gz MDDYBSHJOKHUNA-CJNGLKHVSA-N 1 0 290.451 3.295 20 10 CGCDRO Nc1ccc(CC[NH2+][C@@H]2CCCc3ccc(O)cc32)cc1 ZINC000817958752 632254938 /nfs/dbraw/zinc/25/49/38/632254938.db2.gz XUMNPGYGHSFSIY-GOSISDBHSA-N 1 0 282.387 3.184 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+][C@H](CN)C2CCCC2)c2c1c(F)ccc2O ZINC000817982696 632272524 /nfs/dbraw/zinc/27/25/24/632272524.db2.gz VNDBBNLPMXUIKA-DDTOSNHZSA-N 1 0 292.398 3.187 20 10 CGCDRO CCOCc1cc(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)ccc1OC ZINC000818238528 632301266 /nfs/dbraw/zinc/30/12/66/632301266.db2.gz KLUXTHZFATZUTI-MIFYACCESA-N 1 0 275.392 3.120 20 10 CGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3C[C@@H](C)[C@@H]3C)C2)cc1 ZINC000818341677 632311160 /nfs/dbraw/zinc/31/11/60/632311160.db2.gz CQYNIADVMBKZKD-BASYENTBSA-N 1 0 288.435 3.156 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CCC1)CC2 ZINC000818344480 632311166 /nfs/dbraw/zinc/31/11/66/632311166.db2.gz DINASZQITVOWFF-KKUMJFAQSA-N 1 0 257.377 3.405 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CC[C@H]1O)c1ccc(N2CCCCCC2)cc1 ZINC000818357586 632314394 /nfs/dbraw/zinc/31/43/94/632314394.db2.gz AZPBSBKNCGBPKD-ZTFGCOKTSA-N 1 0 288.435 3.241 20 10 CGCDRO CCOc1cccc(C[NH2+]C(C)(C)[C@@H]2CCCCO2)c1O ZINC000865746914 632876611 /nfs/dbraw/zinc/87/66/11/632876611.db2.gz QVPNASHTVZBWNU-HNNXBMFYSA-N 1 0 293.407 3.228 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2C[C@H]2C(F)(F)F)cc1C ZINC000865753086 632878641 /nfs/dbraw/zinc/87/86/41/632878641.db2.gz HWOHFUOHDICAPT-GHMZBOCLSA-N 1 0 259.271 3.044 20 10 CGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@@H]1CC[C@H]1SC ZINC000822476374 632939382 /nfs/dbraw/zinc/93/93/82/632939382.db2.gz LZTYJQBEEZKGNG-HUUCEWRRSA-N 1 0 264.438 3.256 20 10 CGCDRO CCC[C@H](CCO)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000866414545 633127526 /nfs/dbraw/zinc/12/75/26/633127526.db2.gz IAIVSUUHLAPAGE-CMPLNLGQSA-N 1 0 271.788 3.247 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@H]1C)c1ccc(C)cc1O ZINC000866446318 633136013 /nfs/dbraw/zinc/13/60/13/633136013.db2.gz FKWZHNBSZBEXFR-PAPYEOQZSA-N 1 0 263.381 3.307 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1C[C@H](C)O[C@@H]1C)c1ccc(C)cc1O ZINC000866446316 633136339 /nfs/dbraw/zinc/13/63/39/633136339.db2.gz FKWZHNBSZBEXFR-MYZSUADSSA-N 1 0 263.381 3.307 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)Cc1ccoc1 ZINC000823845549 633158996 /nfs/dbraw/zinc/15/89/96/633158996.db2.gz DGGWVHDYLCWOMN-AWEZNQCLSA-N 1 0 272.392 3.375 20 10 CGCDRO COC(C)(C)CC[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000866505205 633164319 /nfs/dbraw/zinc/16/43/19/633164319.db2.gz VETYZPNKBKJJJB-JQWIXIFHSA-N 1 0 281.371 3.484 20 10 CGCDRO OC[C@H]1CC[C@H]([NH2+]Cc2ccc3ccccc3c2O)CC1 ZINC000824006497 633179968 /nfs/dbraw/zinc/17/99/68/633179968.db2.gz GAPRELCMOJEBHT-SAZUREKKSA-N 1 0 285.387 3.186 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2C[C@H]2C2CCOCC2)c1 ZINC000866539919 633182681 /nfs/dbraw/zinc/18/26/81/633182681.db2.gz SMXYJPCVRJCBIN-QRTARXTBSA-N 1 0 289.419 3.414 20 10 CGCDRO CN1Cc2ccccc2[C@@H]1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000866563511 633195388 /nfs/dbraw/zinc/19/53/88/633195388.db2.gz NAYGLMBNXOSKAI-IRXDYDNUSA-N 1 0 294.398 3.156 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H](C(C)C)[C@H](CO)C(C)C)c1 ZINC000824845169 633300559 /nfs/dbraw/zinc/30/05/59/633300559.db2.gz ILYFZMDDGQUOBE-WBVHZDCISA-N 1 0 279.424 3.079 20 10 CGCDRO COc1cccc(C[NH2+]C23CCC(CC2)CC3)c1O ZINC000824935180 633308143 /nfs/dbraw/zinc/30/81/43/633308143.db2.gz BLPIQOOKNNLTJT-UHFFFAOYSA-N 1 0 261.365 3.213 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2C[C@H](C3CC3)[C@H]2C2CC2)c1 ZINC000824940722 633309075 /nfs/dbraw/zinc/30/90/75/633309075.db2.gz BFKZZNXWWSEJLG-NVXWUHKLSA-N 1 0 273.376 3.021 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H](C3CC3)[C@H]2C2CC2)cc1 ZINC000824942431 633309171 /nfs/dbraw/zinc/30/91/71/633309171.db2.gz ZUKZZVCTXNSUHH-ZWKOTPCHSA-N 1 0 270.420 3.373 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@]3(CCOC3)C2)cc1C ZINC000825134310 633331688 /nfs/dbraw/zinc/33/16/88/633331688.db2.gz YDXZFXJVHNXXPY-KRWDZBQOSA-N 1 0 275.392 3.012 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCC[C@]3(CCSC3)C2)c1O ZINC000825215428 633335936 /nfs/dbraw/zinc/33/59/36/633335936.db2.gz OWHRTIQWKFZCBH-INIZCTEOSA-N 1 0 277.433 3.420 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@]2(C)CCCOC2)cc1Cl ZINC000825441651 633354736 /nfs/dbraw/zinc/35/47/36/633354736.db2.gz QKCBZBJFANVCTH-CQSZACIVSA-N 1 0 269.772 3.013 20 10 CGCDRO Cc1cc(O)c(C[NH+]2CC(C3CCOCC3)C2)cc1Cl ZINC000825773438 633381252 /nfs/dbraw/zinc/38/12/52/633381252.db2.gz GWYSGKTTWTXLHZ-UHFFFAOYSA-N 1 0 295.810 3.212 20 10 CGCDRO Cc1cc(O)c(C[N@H+](C)CCCn2ccnc2)cc1Cl ZINC000825928069 633388562 /nfs/dbraw/zinc/38/85/62/633388562.db2.gz LVZRTCVKNRRKHP-UHFFFAOYSA-N 1 0 293.798 3.073 20 10 CGCDRO CO[C@](C)(C[NH2+]Cc1cc(Cl)c(C)cc1O)C1CC1 ZINC000825955999 633392048 /nfs/dbraw/zinc/39/20/48/633392048.db2.gz WGKKXUANERVGGM-OAHLLOKOSA-N 1 0 283.799 3.259 20 10 CGCDRO Cc1cc(O)c(C[N@@H+](C(C)C)[C@@H]2CCOC2)cc1Cl ZINC000825954935 633392202 /nfs/dbraw/zinc/39/22/02/633392202.db2.gz CWKQBCFJDBUAQE-CYBMUJFWSA-N 1 0 283.799 3.353 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2C[C@@H]3C[C@H]2CS3)cc1Cl ZINC000826120456 633406622 /nfs/dbraw/zinc/40/66/22/633406622.db2.gz DNIVCUZCONOCPV-QWRGUYRKSA-N 1 0 269.797 3.044 20 10 CGCDRO COCC1([NH2+]Cc2cc(Cl)c(C)cc2O)CCCC1 ZINC000826834146 633436231 /nfs/dbraw/zinc/43/62/31/633436231.db2.gz MOEJAKOAULKBIK-UHFFFAOYSA-N 1 0 283.799 3.403 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+][C@H]3CC=C(C)CC3)C2)cc1 ZINC000826845078 633437063 /nfs/dbraw/zinc/43/70/63/633437063.db2.gz DXOWURMDSKBVIL-HOTGVXAUSA-N 1 0 286.419 3.362 20 10 CGCDRO COc1cccc(C[NH+]2CCC(C3CCC3)CC2)c1O ZINC000826948220 633445613 /nfs/dbraw/zinc/44/56/13/633445613.db2.gz YCLRISATEXGLNL-UHFFFAOYSA-N 1 0 275.392 3.413 20 10 CGCDRO CCc1cccc(C[NH2+]Cc2cc(COC)cs2)c1O ZINC000827237149 633473193 /nfs/dbraw/zinc/47/31/93/633473193.db2.gz MEILTNPVWAHVKO-UHFFFAOYSA-N 1 0 291.416 3.452 20 10 CGCDRO CCc1cccc(C[NH2+][C@H]2CCc3ccc(O)cc32)c1O ZINC000827346446 633484035 /nfs/dbraw/zinc/48/40/35/633484035.db2.gz IQDZUVXHWIPYIL-KRWDZBQOSA-N 1 0 283.371 3.437 20 10 CGCDRO Oc1cc(Br)ccc1C[NH2+][C@@H]1[C@@H]2CCC[C@@H]21 ZINC000827482273 633493486 /nfs/dbraw/zinc/49/34/86/633493486.db2.gz UURSBPQNLNAIJO-PTEHBNRSSA-N 1 0 282.181 3.043 20 10 CGCDRO CCCN1CC[C@H]([NH2+]Cc2ccc3ccccc3c2O)C1 ZINC000827519082 633496170 /nfs/dbraw/zinc/49/61/70/633496170.db2.gz JOWOBTGSXQFEGB-INIZCTEOSA-N 1 0 284.403 3.119 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCOC(C3CC3)(C3CC3)C2)c1 ZINC000827539196 633497256 /nfs/dbraw/zinc/49/72/56/633497256.db2.gz ZIYZYDHZXHNTFV-UHFFFAOYSA-N 1 0 287.403 3.092 20 10 CGCDRO CCCN(CCC)c1ccc(C[NH2+]C2([C@@H](C)O)CC2)cc1 ZINC000827579532 633500743 /nfs/dbraw/zinc/50/07/43/633500743.db2.gz FRBBKQXVFRBTRB-OAHLLOKOSA-N 1 0 290.451 3.316 20 10 CGCDRO C[C@H](O)[C@H]([NH2+][C@@H](C)c1ccccc1O)c1ccccc1F ZINC000846184537 636155679 /nfs/dbraw/zinc/15/56/79/636155679.db2.gz UNDXAFCFXNPMEN-PRXAMGSTSA-N 1 0 289.350 3.304 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2C[C@@H]3CCC[C@@H]3O2)c1 ZINC000872109880 634034684 /nfs/dbraw/zinc/03/46/84/634034684.db2.gz TULXLVQRBBTIPB-WSMBLCCSSA-N 1 0 275.392 3.309 20 10 CGCDRO Cc1ccc(OCC[NH2+][C@H]2CCc3cccc(O)c32)cc1 ZINC000834492493 634173287 /nfs/dbraw/zinc/17/32/87/634173287.db2.gz VYBKQCDLQWLGNP-INIZCTEOSA-N 1 0 283.371 3.357 20 10 CGCDRO CCc1cnc(CC[NH2+][C@@H]2CCc3cccc(O)c32)s1 ZINC000834607170 634197263 /nfs/dbraw/zinc/19/72/63/634197263.db2.gz RYPSEPWVLNCANI-CYBMUJFWSA-N 1 0 288.416 3.231 20 10 CGCDRO CO[C@@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)c(C)c2)C12CCC2 ZINC000834654133 634209286 /nfs/dbraw/zinc/20/92/86/634209286.db2.gz JOSFQJCOEQYSNO-DLBZAZTESA-N 1 0 288.435 3.108 20 10 CGCDRO COc1cnccc1[C@H](C)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834779636 634240970 /nfs/dbraw/zinc/24/09/70/634240970.db2.gz PLMYLPOFVVIWBG-FZMZJTMJSA-N 1 0 284.359 3.134 20 10 CGCDRO CC(C)[C@H](C[NH2+][C@@H]1CCc2cccc(O)c21)c1ccnn1C ZINC000834778191 634241003 /nfs/dbraw/zinc/24/10/03/634241003.db2.gz AFHNMDVMSFYZHW-LSDHHAIUSA-N 1 0 299.418 3.142 20 10 CGCDRO C[C@@H](CCO)CC[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000834830258 634250777 /nfs/dbraw/zinc/25/07/77/634250777.db2.gz BCMZBCCURQYGSV-ZIAGYGMSSA-N 1 0 291.435 3.330 20 10 CGCDRO CCCOc1ccc(C[NH2+]CCC(C)(C)CO)cc1C ZINC000873129177 634251353 /nfs/dbraw/zinc/25/13/53/634251353.db2.gz LFTLFIDSWPWCSB-UHFFFAOYSA-N 1 0 279.424 3.282 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCn3ccnc32)c2c1c(F)ccc2O ZINC000834832876 634251945 /nfs/dbraw/zinc/25/19/45/634251945.db2.gz SIUXNGUGIYKSBU-YUSALJHKSA-N 1 0 287.338 3.011 20 10 CGCDRO CCCOc1ccc(C[NH2+]CCc2cncc(C)n2)cc1C ZINC000873137763 634255895 /nfs/dbraw/zinc/25/58/95/634255895.db2.gz GWMQXAFUMCXPOO-UHFFFAOYSA-N 1 0 299.418 3.215 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCOC1(C)C)c1cc2c(cc1O)CCCC2 ZINC000834874076 634261005 /nfs/dbraw/zinc/26/10/05/634261005.db2.gz AWIMUIBKYAZVAU-SJCJKPOMSA-N 1 0 289.419 3.489 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]CCC(C)(C)CO)c2c1c(F)ccc2O ZINC000834871855 634261613 /nfs/dbraw/zinc/26/16/13/634261613.db2.gz UFMWNSXEBUUKNC-ZYHUDNBSSA-N 1 0 281.371 3.078 20 10 CGCDRO CO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000834887291 634267894 /nfs/dbraw/zinc/26/78/94/634267894.db2.gz ROXUTHNFWJHAHK-MRCXROJRSA-N 1 0 269.772 3.264 20 10 CGCDRO CCc1nc(C[NH2+][C@H](C)c2ccc(C)c(C)c2O)co1 ZINC000834899388 634275440 /nfs/dbraw/zinc/27/54/40/634275440.db2.gz PNZXSZLQICZRRQ-GFCCVEGCSA-N 1 0 274.364 3.410 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2CCCC[C@H]2O)c(O)c1 ZINC000834900433 634276262 /nfs/dbraw/zinc/27/62/62/634276262.db2.gz OMUGKOMYLKSWBJ-QLFBSQMISA-N 1 0 277.408 3.211 20 10 CGCDRO CCc1ncc(C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)o1 ZINC000834900921 634277646 /nfs/dbraw/zinc/27/76/46/634277646.db2.gz UELZGFHUTOZZHQ-CABZTGNLSA-N 1 0 290.338 3.420 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@@H](O)c1ccccc1 ZINC000873193659 634278655 /nfs/dbraw/zinc/27/86/55/634278655.db2.gz NJPITOONURHELN-MOPGFXCFSA-N 1 0 298.430 3.354 20 10 CGCDRO C[C@H]([NH2+]C[C@H](O)C1CCC1)c1cc2c(cc1O)CCCC2 ZINC000834905362 634281587 /nfs/dbraw/zinc/28/15/87/634281587.db2.gz GLDDDUKWYZRBOJ-SGTLLEGYSA-N 1 0 289.419 3.083 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)c1cc(Cl)ccc1O ZINC000834914503 634286250 /nfs/dbraw/zinc/28/62/50/634286250.db2.gz FXTDWGLBHXSFRU-SCVCMEIPSA-N 1 0 269.772 3.264 20 10 CGCDRO CCOc1ccc(O)c(CNc2ccc([C@@H]3C[C@H]3[NH3+])cc2)c1 ZINC000873217797 634287554 /nfs/dbraw/zinc/28/75/54/634287554.db2.gz SURWIBOFFFPBOM-DLBZAZTESA-N 1 0 298.386 3.218 20 10 CGCDRO COC[C@H]1CCC[N@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835028915 634325453 /nfs/dbraw/zinc/32/54/53/634325453.db2.gz NGSSRDOUHRVJOD-AATOQMJSSA-N 1 0 288.435 3.124 20 10 CGCDRO CCOCC[N@H+](CC)C/C=C/c1ccc(N(C)C)cc1 ZINC000835029610 634325473 /nfs/dbraw/zinc/32/54/73/634325473.db2.gz YADMFUAXSOEZAI-BQYQJAHWSA-N 1 0 276.424 3.124 20 10 CGCDRO CCC[N@H+](C/C=C\c1ccc(N(C)C)cc1)CC(C)(C)O ZINC000835027300 634325534 /nfs/dbraw/zinc/32/55/34/634325534.db2.gz KSTOVFVAAFZKGA-FPLPWBNLSA-N 1 0 290.451 3.249 20 10 CGCDRO CN(C)c1ccc(/C=C\C[N@H+](C)[C@@H]2CCSC2)cc1 ZINC000835026417 634326427 /nfs/dbraw/zinc/32/64/27/634326427.db2.gz VQBNLNZIFRISRL-YIEVGGLXSA-N 1 0 276.449 3.203 20 10 CGCDRO CSC[C@H](C)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835039179 634328573 /nfs/dbraw/zinc/32/85/73/634328573.db2.gz CCWACKLTEJIARU-SZZPACECSA-N 1 0 264.438 3.107 20 10 CGCDRO CCC[C@@H](CCO)C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835039637 634329381 /nfs/dbraw/zinc/32/93/81/634329381.db2.gz IFDZCVKYMKAGTF-WVRJYTFGSA-N 1 0 290.451 3.154 20 10 CGCDRO CC[C@H](C)[C@@](C)(O)C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835041246 634329661 /nfs/dbraw/zinc/32/96/61/634329661.db2.gz XSPBMBVXRQVUCC-KJTGTQQJSA-N 1 0 290.451 3.153 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+]CC[C@@H]2CCCCO2)cc1 ZINC000835045750 634332345 /nfs/dbraw/zinc/33/23/45/634332345.db2.gz YIDOOQONMXGFQK-QWNKOJSDSA-N 1 0 288.435 3.315 20 10 CGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CCC23CCOCC3)cc1 ZINC000835049747 634336452 /nfs/dbraw/zinc/33/64/52/634336452.db2.gz RWDIEBCQUXGMQQ-ONEGZZNKSA-N 1 0 286.419 3.021 20 10 CGCDRO CO[C@H]1CCCC[C@@H]1[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835052686 634336939 /nfs/dbraw/zinc/33/69/39/634336939.db2.gz QAVASCDSHLLHFK-VDZMMWBESA-N 1 0 288.435 3.313 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@H]2CCCSC2)cc1 ZINC000835054719 634338423 /nfs/dbraw/zinc/33/84/23/634338423.db2.gz XOCNVKGZPQWONQ-OICCZTGUSA-N 1 0 290.476 3.499 20 10 CGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@](C)(O)CC2)cc1 ZINC000835055033 634339328 /nfs/dbraw/zinc/33/93/28/634339328.db2.gz VDQJXPCYMMNGHU-JXTAAOLFSA-N 1 0 288.435 3.003 20 10 CGCDRO C[C@@H](F)CC[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835057164 634340472 /nfs/dbraw/zinc/34/04/72/634340472.db2.gz YQJHKWYBXNHLNF-DSYXLKISSA-N 1 0 250.361 3.104 20 10 CGCDRO COc1cccc(O)c1C[NH2+]CC1(C2CCC2)CCC1 ZINC000835059382 634340649 /nfs/dbraw/zinc/34/06/49/634340649.db2.gz REDYPSBIXWICRZ-UHFFFAOYSA-N 1 0 275.392 3.461 20 10 CGCDRO FC1(F)CC(CC[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000835061582 634342891 /nfs/dbraw/zinc/34/28/91/634342891.db2.gz SRDBPALKNDTPDC-UHFFFAOYSA-N 1 0 267.319 3.147 20 10 CGCDRO CC(C)[C@H]([NH2+]Cc1ccccc1O)C1(CO)CCCC1 ZINC000835066729 634344193 /nfs/dbraw/zinc/34/41/93/634344193.db2.gz SPDGJBUOVCNWLV-INIZCTEOSA-N 1 0 277.408 3.059 20 10 CGCDRO Cc1cc([C@@H]2CCC[N@@H+]2Cc2c(C)cccc2O)on1 ZINC000876617212 634868394 /nfs/dbraw/zinc/86/83/94/634868394.db2.gz HJKWNEJKYGJWJY-AWEZNQCLSA-N 1 0 272.348 3.334 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCOc2ccccc2C1 ZINC000876626918 634871337 /nfs/dbraw/zinc/87/13/37/634871337.db2.gz LUGMLKRZBMBEFN-UHFFFAOYSA-N 1 0 269.344 3.095 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCO[C@@H](c2cccs2)C1 ZINC000876643764 634874855 /nfs/dbraw/zinc/87/48/55/634874855.db2.gz MHAZFNCGQZXACA-OAHLLOKOSA-N 1 0 289.400 3.336 20 10 CGCDRO Cc1ccc(C[N@H+](CCO)[C@@H]2CCc3ccccc32)c(O)c1 ZINC000876737675 634887803 /nfs/dbraw/zinc/88/78/03/634887803.db2.gz VOIRJUKEJCAQRY-GOSISDBHSA-N 1 0 297.398 3.182 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]C[C@H]1COc2ccccc2C1 ZINC000876876935 634918870 /nfs/dbraw/zinc/91/88/70/634918870.db2.gz MDMUVZAJEFTTDS-AWEZNQCLSA-N 1 0 283.371 3.042 20 10 CGCDRO Cc1ccc(C[NH2+]C[C@@H](O)c2ccc(Cl)cc2)c(O)c1 ZINC000876912692 634927562 /nfs/dbraw/zinc/92/75/62/634927562.db2.gz XXPGUTHPKWGEIK-MRXNPFEDSA-N 1 0 291.778 3.177 20 10 CGCDRO CCC(=O)Nc1cccc(C[NH2+]Cc2c(C)cccc2O)c1 ZINC000876941952 634933582 /nfs/dbraw/zinc/93/35/82/634933582.db2.gz RBERAKYHYMUPBM-UHFFFAOYSA-N 1 0 298.386 3.339 20 10 CGCDRO CCCOc1ncccc1C[NH2+]Cc1ccc(C)cc1O ZINC000876986808 634944177 /nfs/dbraw/zinc/94/41/77/634944177.db2.gz LRWBUEVMVQNARD-UHFFFAOYSA-N 1 0 286.375 3.174 20 10 CGCDRO Cc1cccc(O)c1C[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000877019152 634951007 /nfs/dbraw/zinc/95/10/07/634951007.db2.gz HIVOUSVVTDWDTG-CYBMUJFWSA-N 1 0 271.360 3.127 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]CCSCC(F)(F)F ZINC000877120145 634990467 /nfs/dbraw/zinc/99/04/67/634990467.db2.gz OJWOTEBWNVLLNW-UHFFFAOYSA-N 1 0 279.327 3.086 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H](C)C[C@H](O)c2cccs2)c(O)c1 ZINC000877129870 634994296 /nfs/dbraw/zinc/99/42/96/634994296.db2.gz OMXKLDUQVWXSKN-WFASDCNBSA-N 1 0 291.416 3.364 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H](C)c2cnccc2C)c(O)c1 ZINC000877135380 634997821 /nfs/dbraw/zinc/99/78/21/634997821.db2.gz BAWODKQBHGBUSQ-ZDUSSCGKSA-N 1 0 256.349 3.255 20 10 CGCDRO COCC[C@H](Cc1ccco1)[NH2+]Cc1ccc(C)cc1O ZINC000877304899 635021189 /nfs/dbraw/zinc/02/11/89/635021189.db2.gz BGZLWYSZRCUMOS-OAHLLOKOSA-N 1 0 289.375 3.031 20 10 CGCDRO Cc1ccc(C[N@@H+](C)[C@H](C)c2ccncc2)c(O)c1 ZINC000877317357 635024542 /nfs/dbraw/zinc/02/45/42/635024542.db2.gz KWLPQAFBTFHKST-CYBMUJFWSA-N 1 0 256.349 3.289 20 10 CGCDRO CC[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1ccc(N(C)CC)cc1 ZINC000840817040 635057591 /nfs/dbraw/zinc/05/75/91/635057591.db2.gz DGLVPCUTHYZDHJ-XYPHTWIQSA-N 1 0 276.424 3.361 20 10 CGCDRO C[C@H]([NH2+]CC(C)(C)OCC1CC1)c1cc(F)ccc1O ZINC000840876860 635071533 /nfs/dbraw/zinc/07/15/33/635071533.db2.gz PPEYJTTYMPLMST-NSHDSACASA-N 1 0 281.371 3.387 20 10 CGCDRO Oc1ccc(Cl)c(F)c1CNc1[nH+]ccn1C1CC1 ZINC000840886318 635073995 /nfs/dbraw/zinc/07/39/95/635073995.db2.gz BVGUJXMBBRZURN-UHFFFAOYSA-N 1 0 281.718 3.328 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]C1CCSCC1 ZINC000840894397 635077081 /nfs/dbraw/zinc/07/70/81/635077081.db2.gz QYOCAGCRPPQRDZ-AWEZNQCLSA-N 1 0 292.492 3.477 20 10 CGCDRO CCC[N@H+](Cc1ccc(N(C)C)cc1C)CC(C)(C)O ZINC000840913914 635081394 /nfs/dbraw/zinc/08/13/94/635081394.db2.gz MLWVFRNPIBOFKJ-UHFFFAOYSA-N 1 0 278.440 3.044 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH+]1CCC(OC(C)C)CC1 ZINC000840911466 635081811 /nfs/dbraw/zinc/08/18/11/635081811.db2.gz BUKFAKODODDSPD-UHFFFAOYSA-N 1 0 290.451 3.450 20 10 CGCDRO CC[C@@H](C[NH2+]Cc1ccc(N(C)C)cc1C)N1CCCC1 ZINC000840929678 635083884 /nfs/dbraw/zinc/08/38/84/635083884.db2.gz VAQSHHDZOHQWGP-KRWDZBQOSA-N 1 0 289.467 3.025 20 10 CGCDRO CO[C@H]1C[N@H+](Cc2c(O)cc(C)cc2Cl)CC[C@@H]1C ZINC000840940127 635086997 /nfs/dbraw/zinc/08/69/97/635086997.db2.gz UWZFFLCAGZHEMN-NHYWBVRUSA-N 1 0 283.799 3.211 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCSC2)c(Cl)c1 ZINC000840940766 635087107 /nfs/dbraw/zinc/08/71/07/635087107.db2.gz KWOXMDYRGMETRR-JTQLQIEISA-N 1 0 271.813 3.197 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCO[C@@H](C2CC2)C1 ZINC000840939030 635087393 /nfs/dbraw/zinc/08/73/93/635087393.db2.gz JKGAZFOWZVMJFE-FUHWJXTLSA-N 1 0 288.435 3.108 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCS[C@@H](C)CC1 ZINC000840941531 635087983 /nfs/dbraw/zinc/08/79/83/635087983.db2.gz BICRTWOHNARQKQ-AWEZNQCLSA-N 1 0 278.465 3.388 20 10 CGCDRO CCC(C)(C)OCC[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840953274 635092094 /nfs/dbraw/zinc/09/20/94/635092094.db2.gz NSIHDUUTJDZNHM-UHFFFAOYSA-N 1 0 278.440 3.356 20 10 CGCDRO Cc1ccc(C[NH2+][C@H]2CCO[C@H](c3ccncc3)C2)c(O)c1 ZINC000877568890 635095780 /nfs/dbraw/zinc/09/57/80/635095780.db2.gz DALCOLALENTOGK-WMZOPIPTSA-N 1 0 298.386 3.106 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)[C@H]1CC1(F)F ZINC000840968444 635096351 /nfs/dbraw/zinc/09/63/51/635096351.db2.gz SBPGNTBUWVFXDZ-BXUZGUMPSA-N 1 0 268.351 3.194 20 10 CGCDRO CC[N@H+](Cc1cccc(OC)c1O)C1CC(C)(C)C1 ZINC000840971663 635097693 /nfs/dbraw/zinc/09/76/93/635097693.db2.gz RWARDQVHMCBMJF-UHFFFAOYSA-N 1 0 263.381 3.411 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC000840977955 635098841 /nfs/dbraw/zinc/09/88/41/635098841.db2.gz KZDBHNJQFXYKNR-CYBMUJFWSA-N 1 0 261.365 3.023 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1cccnc1 ZINC000840977068 635099379 /nfs/dbraw/zinc/09/93/79/635099379.db2.gz QQUJIRCOGODNAG-OAHLLOKOSA-N 1 0 283.419 3.177 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCOC2)c(O)c1 ZINC000877604125 635107767 /nfs/dbraw/zinc/10/77/67/635107767.db2.gz XFOCHGHYIOMUBB-CVEARBPZSA-N 1 0 275.392 3.092 20 10 CGCDRO Cc1ccc(C[NH2+][C@H](C(C)C)C2(CO)CC=CC2)c(O)c1 ZINC000877607719 635109601 /nfs/dbraw/zinc/10/96/01/635109601.db2.gz JTVXXRCPZBYWIN-QGZVFWFLSA-N 1 0 289.419 3.144 20 10 CGCDRO Cc1ccc(C[NH2+][C@H](C)[C@](C)(O)c2ccccc2)c(O)c1 ZINC000877610460 635111549 /nfs/dbraw/zinc/11/15/49/635111549.db2.gz PGSCGSVGONPLDK-KDOFPFPSSA-N 1 0 285.387 3.086 20 10 CGCDRO Cc1ccc(C[NH2+]CC[C@]2(C)C[C@@]2(F)Cl)c(O)c1 ZINC000877611665 635112374 /nfs/dbraw/zinc/11/23/74/635112374.db2.gz XFUIEEGEMSYRQE-KGLIPLIRSA-N 1 0 271.763 3.495 20 10 CGCDRO CN(C)c1ccc(/C=C\CNCC2([NH3+])CCCCC2)cc1 ZINC000841040142 635112649 /nfs/dbraw/zinc/11/26/49/635112649.db2.gz JYLPXBAEFXSCFL-SREVYHEPSA-N 1 0 287.451 3.017 20 10 CGCDRO Cc1ccc(C[NH2+]CC[C@@]2(C)C[C@@]2(F)Cl)c(O)c1 ZINC000877611664 635112806 /nfs/dbraw/zinc/11/28/06/635112806.db2.gz XFUIEEGEMSYRQE-KBPBESRZSA-N 1 0 271.763 3.495 20 10 CGCDRO CCOc1ccc(O)c(CNc2cccc(C[NH2+]C)c2)c1 ZINC000841044248 635113524 /nfs/dbraw/zinc/11/35/24/635113524.db2.gz YBLJOUNHWZYSPR-UHFFFAOYSA-N 1 0 286.375 3.122 20 10 CGCDRO CC[NH2+]Cc1ccccc1NCc1ccccc1O ZINC000841043348 635113618 /nfs/dbraw/zinc/11/36/18/635113618.db2.gz PHKBMTCDLMLULA-UHFFFAOYSA-N 1 0 256.349 3.114 20 10 CGCDRO C[C@@H]1CCCC[C@@H]1C[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000841046305 635114134 /nfs/dbraw/zinc/11/41/34/635114134.db2.gz ZPFRVBVTVQGTFT-KYJSFNMBSA-N 1 0 289.467 3.168 20 10 CGCDRO [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000841054971 635115480 /nfs/dbraw/zinc/11/54/80/635115480.db2.gz IZEHETQHKDUQTI-MNOVXSKESA-N 1 0 289.206 3.059 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]Cc1ccc2c(c1)CCCN2 ZINC000841069577 635116298 /nfs/dbraw/zinc/11/62/98/635116298.db2.gz BAKFBDHMZXFCRW-UHFFFAOYSA-N 1 0 286.350 3.179 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@H]2CCCc3cc(N)ccc32)c1 ZINC000841058799 635116628 /nfs/dbraw/zinc/11/66/28/635116628.db2.gz VEVVPCUJEZAOHJ-KRWDZBQOSA-N 1 0 298.386 3.150 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]C[C@H]1CCN1Cc1ccccc1 ZINC000877639179 635126975 /nfs/dbraw/zinc/12/69/75/635126975.db2.gz CSOPKVSPLXLNEV-QGZVFWFLSA-N 1 0 296.414 3.065 20 10 CGCDRO CCn1nc(C)c(C[N@H+](C)Cc2cccc(C)c2O)c1C ZINC000877663880 635138122 /nfs/dbraw/zinc/13/81/22/635138122.db2.gz HSOLLCPCMIBJSW-UHFFFAOYSA-N 1 0 287.407 3.166 20 10 CGCDRO CCCn1nc(C)c(C[NH2+][C@@H](C)c2ccccc2O)c1C ZINC000877757064 635186332 /nfs/dbraw/zinc/18/63/32/635186332.db2.gz DTJFTRQGPFAKLA-LBPRGKRZSA-N 1 0 287.407 3.466 20 10 CGCDRO C[C@@H]([NH2+]Cc1cccc(CO)c1)c1ccc(Cl)cc1O ZINC000841746861 635223862 /nfs/dbraw/zinc/22/38/62/635223862.db2.gz LQPORASFCPNCAC-LLVKDONJSA-N 1 0 291.778 3.389 20 10 CGCDRO C[C@@H]([NH2+]CCN1CC[C@H](C)C1)c1ccc(Cl)cc1O ZINC000841748548 635223957 /nfs/dbraw/zinc/22/39/57/635223957.db2.gz AOHGNAUVRYXCGG-NWDGAFQWSA-N 1 0 282.815 3.038 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1O)c1cnn(C)c1 ZINC000841754622 635228873 /nfs/dbraw/zinc/22/88/73/635228873.db2.gz LAWNJDWKIGLDLR-ZJUUUORDSA-N 1 0 279.771 3.191 20 10 CGCDRO CCC(CC)[C@@H](O)C[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841762914 635232648 /nfs/dbraw/zinc/23/26/48/635232648.db2.gz KJLPONHCXNIICM-BONVTDFDSA-N 1 0 285.815 3.493 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(C)cc1O)[C@H](O)c1ccccc1 ZINC000877832434 635233373 /nfs/dbraw/zinc/23/33/73/635233373.db2.gz LQXRVAAWIPZCGQ-FUHWJXTLSA-N 1 0 285.387 3.302 20 10 CGCDRO CO[C@@H](C)[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841759020 635233624 /nfs/dbraw/zinc/23/36/24/635233624.db2.gz WZOUTKXPLUZUIV-BBBLOLIVSA-N 1 0 257.761 3.120 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]Cc2cncn2CC)cc1 ZINC000841858047 635243773 /nfs/dbraw/zinc/24/37/73/635243773.db2.gz MQDBYSZLIFDBLP-UHFFFAOYSA-N 1 0 286.423 3.039 20 10 CGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@H](CC)OC ZINC000842153422 635298053 /nfs/dbraw/zinc/29/80/53/635298053.db2.gz UGBBEZFRUGKTLT-AWEZNQCLSA-N 1 0 251.370 3.029 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCCC(C)(C)O2)c1 ZINC000878361043 635473909 /nfs/dbraw/zinc/47/39/09/635473909.db2.gz VYLFIOLLSVMTKM-OCCSQVGLSA-N 1 0 293.407 3.399 20 10 CGCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1c(F)cccc1F ZINC000843057117 635553674 /nfs/dbraw/zinc/55/36/74/635553674.db2.gz BTJUSYMASVINEN-UHFFFAOYSA-N 1 0 288.341 3.376 20 10 CGCDRO CCCC[N@H+](Cc1ccc(N)nc1)Cc1ccccc1O ZINC000843119650 635560467 /nfs/dbraw/zinc/56/04/67/635560467.db2.gz ZBZIVHFSODGTGJ-UHFFFAOYSA-N 1 0 285.391 3.172 20 10 CGCDRO [NH3+]CCCCCC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000843126877 635562490 /nfs/dbraw/zinc/56/24/90/635562490.db2.gz KMDOOLYPAPVYDT-UHFFFAOYSA-N 1 0 291.222 3.308 20 10 CGCDRO CN(C)c1ccc(/C=C\CN[C@@H]2CC[NH2+]C23CCCC3)cc1 ZINC000843129065 635563388 /nfs/dbraw/zinc/56/33/88/635563388.db2.gz QJHSULDSXIYMTE-OOFWQKGWSA-N 1 0 299.462 3.030 20 10 CGCDRO C[C@@H]1CC2(C[N@@H+]1Cc1c(O)cccc1Cl)CCOCC2 ZINC000843431591 635673579 /nfs/dbraw/zinc/67/35/79/635673579.db2.gz INYCPXWVQCTIQE-GFCCVEGCSA-N 1 0 295.810 3.437 20 10 CGCDRO C[C@@H]([NH2+]C[C@H](O)[C@@H](C)c1ccccc1)c1ccccc1O ZINC000879648832 635826540 /nfs/dbraw/zinc/82/65/40/635826540.db2.gz BIOCAROHMHKQAR-IYOUNJFTSA-N 1 0 285.387 3.207 20 10 CGCDRO Cc1cccc(C)c1NC(=O)C[NH2+][C@@H](C)c1ccccc1O ZINC000879651091 635828531 /nfs/dbraw/zinc/82/85/31/635828531.db2.gz HTQQEPXQIRWUGT-AWEZNQCLSA-N 1 0 298.386 3.298 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@]3(CC3(F)F)C2)c1 ZINC000844758525 635959354 /nfs/dbraw/zinc/95/93/54/635959354.db2.gz JJPJWGYZTSBBRO-AWEZNQCLSA-N 1 0 267.319 3.240 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CNc2ccccc2C1)c1ccc(N(C)C)cc1 ZINC000844919323 635983698 /nfs/dbraw/zinc/98/36/98/635983698.db2.gz FFESJZWZPGPAOT-PBHICJAKSA-N 1 0 295.430 3.440 20 10 CGCDRO CC[C@]1(C)CCC[C@@H]1[NH2+]Cc1cc(OC)ccc1O ZINC000845935791 636120637 /nfs/dbraw/zinc/12/06/37/636120637.db2.gz BKOPOFKDICCQDJ-JKSUJKDBSA-N 1 0 263.381 3.459 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CC[C@@H]2C(C)C)c1 ZINC000845971362 636125542 /nfs/dbraw/zinc/12/55/42/636125542.db2.gz JBWHNQKZGXGUFN-NJZAAPMLSA-N 1 0 263.381 3.486 20 10 CGCDRO Oc1c(C[NH+]2CCC(C3(O)CC3)CC2)ccc2ccccc21 ZINC000846009364 636128507 /nfs/dbraw/zinc/12/85/07/636128507.db2.gz XZYRHJIAEIZEOU-UHFFFAOYSA-N 1 0 297.398 3.282 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)c1 ZINC000846106366 636144165 /nfs/dbraw/zinc/14/41/65/636144165.db2.gz AIBQMGFNVNWWEO-CQSZACIVSA-N 1 0 267.319 3.322 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]CCc2nc(C)cs2)c1O ZINC000846139213 636149006 /nfs/dbraw/zinc/14/90/06/636149006.db2.gz KTPPJGGUODBUBV-NSHDSACASA-N 1 0 292.404 3.059 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCC[C@H]3OCC[C@@H]32)c1O ZINC000846150899 636149807 /nfs/dbraw/zinc/14/98/07/636149807.db2.gz SNYJKOPLKSGVSF-ZGKBOVNRSA-N 1 0 291.391 3.009 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2[C@H](C)[C@@H](OC)C2(C)C)c1O ZINC000846159436 636150653 /nfs/dbraw/zinc/15/06/53/636150653.db2.gz OKMVEEPHALUCDJ-DPDCMNJDSA-N 1 0 293.407 3.111 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]CCC[N@H+](C)CC(C)C)c1O ZINC000846177427 636153672 /nfs/dbraw/zinc/15/36/72/636153672.db2.gz OWMZIOILLQOGAA-CQSZACIVSA-N 1 0 294.439 3.029 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)COCC2CC2)c(O)c1C ZINC000846203968 636157618 /nfs/dbraw/zinc/15/76/18/636157618.db2.gz JDIMPPKDPREKMF-TZMCWYRMSA-N 1 0 277.408 3.475 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2c(C)nsc2C)c1 ZINC000846845059 636258708 /nfs/dbraw/zinc/25/87/08/636258708.db2.gz SNVNMLAEOZNGAL-SECBINFHSA-N 1 0 292.404 3.325 20 10 CGCDRO CN(CC[C@H]1CCCC[N@@H+]1C)Cc1c(O)cccc1Cl ZINC000130886776 636527279 /nfs/dbraw/zinc/52/72/79/636527279.db2.gz XNYIEIKPWFXAKJ-CYBMUJFWSA-N 1 0 296.842 3.352 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cccc(Cl)c1[O-] ZINC000848558449 636605462 /nfs/dbraw/zinc/60/54/62/636605462.db2.gz QBHRRIYGYHWNOO-TYNCELHUSA-N 1 0 296.842 3.427 20 10 CGCDRO COc1ccc(C[NH2+][C@H](C2CC2)[C@H]2CCCCO2)cc1C ZINC000848561393 636606558 /nfs/dbraw/zinc/60/65/58/636606558.db2.gz YQQPYXLGPWTUIK-QZTJIDSGSA-N 1 0 289.419 3.441 20 10 CGCDRO COc1cccc(C[NH2+]Cc2cccc(C)c2OC)c1O ZINC000848562509 636607653 /nfs/dbraw/zinc/60/76/53/636607653.db2.gz DVFUFKLOCJTLGW-UHFFFAOYSA-N 1 0 287.359 3.008 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](C)C(=O)OC(C)(C)C)c1 ZINC000848563850 636607752 /nfs/dbraw/zinc/60/77/52/636607752.db2.gz XPBIRCNGNBSRPE-QWHCGFSZSA-N 1 0 293.407 3.329 20 10 CGCDRO C[C@@H](C[NH2+]Cc1cc(Cl)ccc1O)C(=O)OC(C)(C)C ZINC000848565281 636608278 /nfs/dbraw/zinc/60/82/78/636608278.db2.gz HTWABGXRZBHYEA-JTQLQIEISA-N 1 0 299.798 3.113 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H]1C[C@H](OC)C1)c1ccc(C)cc1O ZINC000883272628 636643212 /nfs/dbraw/zinc/64/32/12/636643212.db2.gz REYPEWOZNCELRO-UMVBOHGHSA-N 1 0 263.381 3.166 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCc3ccccc3[C@@H]2CO)c1O ZINC000848886654 636675123 /nfs/dbraw/zinc/67/51/23/636675123.db2.gz GZOUYDHYLIGKQQ-SFHVURJKSA-N 1 0 297.398 3.046 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCC[C@@]3(CCCOC3)C2)c1O ZINC000848887886 636676282 /nfs/dbraw/zinc/67/62/82/636676282.db2.gz HFNHQLQHKOUCNJ-GOSISDBHSA-N 1 0 289.419 3.347 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@@H](OC)c2ccccc2)c1O ZINC000848893468 636679103 /nfs/dbraw/zinc/67/91/03/636679103.db2.gz DNOWLXCYIFDDRS-QGZVFWFLSA-N 1 0 285.387 3.432 20 10 CGCDRO CCc1cccc(C[NH2+]CC2(CCO)CCCCC2)c1O ZINC000848897442 636679826 /nfs/dbraw/zinc/67/98/26/636679826.db2.gz IZCXBXIENIHONY-UHFFFAOYSA-N 1 0 291.435 3.377 20 10 CGCDRO CCc1cccc(C[NH2+]Cc2ccc(Cl)cn2)c1O ZINC000848899483 636680499 /nfs/dbraw/zinc/68/04/99/636680499.db2.gz GSLWHTCYQMQDQW-UHFFFAOYSA-N 1 0 276.767 3.293 20 10 CGCDRO CCc1cccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1O ZINC000848899425 636680543 /nfs/dbraw/zinc/68/05/43/636680543.db2.gz FXVILDYPUILCNA-UHFFFAOYSA-N 1 0 286.331 3.153 20 10 CGCDRO CCc1cccc(C[NH2+]CCC[C@@H]2CCCCO2)c1O ZINC000848902953 636682968 /nfs/dbraw/zinc/68/29/68/636682968.db2.gz LIHCSHSCADPJAK-INIZCTEOSA-N 1 0 277.408 3.394 20 10 CGCDRO CCc1cccc(C[N@H+](C)Cc2ccc(C)cn2)c1O ZINC000848905934 636684191 /nfs/dbraw/zinc/68/41/91/636684191.db2.gz MZPLETZSDUYJLU-UHFFFAOYSA-N 1 0 270.376 3.290 20 10 CGCDRO CCc1cccc(C[N@@H+]2CC[C@H](c3ccccn3)C2)c1O ZINC000848908723 636685124 /nfs/dbraw/zinc/68/51/24/636685124.db2.gz BTJLCJSDESAAAZ-HNNXBMFYSA-N 1 0 282.387 3.339 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)c1cc(OC)ccc1O)[C@H]1CCCOC1 ZINC000883352741 636695293 /nfs/dbraw/zinc/69/52/93/636695293.db2.gz HHDSBIYKWJJDHN-XEZPLFJOSA-N 1 0 293.407 3.257 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H]1CCN1CC)c1cc(Cl)ccc1O ZINC000883355675 636697793 /nfs/dbraw/zinc/69/77/93/636697793.db2.gz WAEGFWBSSUBDQI-TZMCWYRMSA-N 1 0 282.815 3.181 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H]2CCCN3CCCC[C@H]23)c1O ZINC000848927954 636700394 /nfs/dbraw/zinc/70/03/94/636700394.db2.gz RFPPYDWFRRISQR-IAGOWNOFSA-N 1 0 288.435 3.061 20 10 CGCDRO C[C@H]([NH2+]C1CCC2(COC2)CC1)c1cc(F)ccc1O ZINC000883381924 636725048 /nfs/dbraw/zinc/72/50/48/636725048.db2.gz WDSVZPMGUJMXDL-NSHDSACASA-N 1 0 279.355 3.141 20 10 CGCDRO COc1cccc(C[NH2+]Cc2c(C)cccc2C)c1O ZINC000132167160 636789145 /nfs/dbraw/zinc/78/91/45/636789145.db2.gz GIDXFCNSYTVKEI-UHFFFAOYSA-N 1 0 271.360 3.307 20 10 CGCDRO CCn1cc([C@H](C)[NH2+]CCCSc2nccs2)cn1 ZINC000132241250 636796047 /nfs/dbraw/zinc/79/60/47/636796047.db2.gz NGTBDHFTGIWNNF-NSHDSACASA-N 1 0 296.465 3.193 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCc3cc(N)ccc32)c1 ZINC000849351741 636817717 /nfs/dbraw/zinc/81/77/17/636817717.db2.gz CKSTUJJWZHIXAH-QGZVFWFLSA-N 1 0 298.386 3.150 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCc3cc(N)ccc32)c1 ZINC000849351740 636817926 /nfs/dbraw/zinc/81/79/26/636817926.db2.gz CKSTUJJWZHIXAH-KRWDZBQOSA-N 1 0 298.386 3.150 20 10 CGCDRO CCOc1cccc(C[NH+]2CCC(CC)CC2)c1O ZINC000133587386 636946008 /nfs/dbraw/zinc/94/60/08/636946008.db2.gz HAEDBMFBBLQLKX-UHFFFAOYSA-N 1 0 263.381 3.413 20 10 CGCDRO Oc1ccc(Cl)cc1CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000134114984 636999411 /nfs/dbraw/zinc/99/94/11/636999411.db2.gz FDZMPUHHGRTECZ-OAHLLOKOSA-N 1 0 294.826 3.106 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@@]2(C)CC2(F)F)cc1 ZINC000850378874 637039166 /nfs/dbraw/zinc/03/91/66/637039166.db2.gz ATUCHFLFKXEFBN-MBVDDHJVSA-N 1 0 280.362 3.401 20 10 CGCDRO CCOc1cccc(C[NH2+]CC[C@]2(C)CC2(F)F)c1O ZINC000850380926 637040268 /nfs/dbraw/zinc/04/02/68/637040268.db2.gz QSFACDYRTGAYGO-CQSZACIVSA-N 1 0 285.334 3.316 20 10 CGCDRO CC[C@](C)([NH2+]Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000850383780 637041917 /nfs/dbraw/zinc/04/19/17/637041917.db2.gz IXLGYGAMBSRVBT-SFHVURJKSA-N 1 0 288.435 3.192 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2C(C)(C)C2(F)F)cc1F ZINC000850394091 637045222 /nfs/dbraw/zinc/04/52/22/637045222.db2.gz LCQZUAYQSOHPOF-CYBMUJFWSA-N 1 0 286.341 3.273 20 10 CGCDRO CCOc1ccc(C[NH2+]C[C@H](OC)C2CCCC2)c(O)c1 ZINC000850400799 637048706 /nfs/dbraw/zinc/04/87/06/637048706.db2.gz OFVDOAQOWYFDOH-KRWDZBQOSA-N 1 0 293.407 3.086 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCCC12CC2 ZINC000850436001 637061751 /nfs/dbraw/zinc/06/17/51/637061751.db2.gz QOSLQYCAPGYWNQ-MRXNPFEDSA-N 1 0 258.409 3.483 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCCn2nccc21)c1ccc(N(C)C)cc1 ZINC000850463539 637076955 /nfs/dbraw/zinc/07/69/55/637076955.db2.gz VNZXHGVIYILKMZ-CZUORRHYSA-N 1 0 284.407 3.135 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1CCN1C(C)(C)C)c1ccc(N(C)C)cc1 ZINC000850483155 637086946 /nfs/dbraw/zinc/08/69/46/637086946.db2.gz XLLSQTKEYXFLKL-WMLDXEAASA-N 1 0 289.467 3.276 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](CO)C2CCC2)c1O ZINC000850487976 637088093 /nfs/dbraw/zinc/08/80/93/637088093.db2.gz KLAXUWGIPHIVCO-YGRLFVJLSA-N 1 0 283.799 3.166 20 10 CGCDRO COc1ccc(N2CC[C@@H]([NH2+]C3CC(C)(C)C3)C2)cc1 ZINC000850488615 637089151 /nfs/dbraw/zinc/08/91/51/637089151.db2.gz NVQNJMJCRFLGDZ-CYBMUJFWSA-N 1 0 274.408 3.052 20 10 CGCDRO C[C@@H]([NH2+]Cc1cccnc1N1CCCC1)c1ccccc1O ZINC000850502621 637093346 /nfs/dbraw/zinc/09/33/46/637093346.db2.gz XYPUSFQFZKEQHY-CQSZACIVSA-N 1 0 297.402 3.238 20 10 CGCDRO C[C@@H]([NH2+]CCO[C@@H]1CC1(F)F)c1ccc(Cl)cc1O ZINC000850521229 637100240 /nfs/dbraw/zinc/10/02/40/637100240.db2.gz ROTDINCJCIMTQW-PRHODGIISA-N 1 0 291.725 3.120 20 10 CGCDRO COCc1csc(C[NH2+][C@H](C)c2ccccc2O)c1 ZINC000850533230 637109388 /nfs/dbraw/zinc/10/93/88/637109388.db2.gz SXJUOAFDZNZLTN-LLVKDONJSA-N 1 0 277.389 3.451 20 10 CGCDRO C[C@@H](CN1CCC(C)CC1)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000850544039 637115509 /nfs/dbraw/zinc/11/55/09/637115509.db2.gz STZXGBYMAOZLKQ-HOCLYGCPSA-N 1 0 288.435 3.090 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1C[C@H](O)C12CCC2)c1ccc(N(C)C)cc1 ZINC000850548051 637116643 /nfs/dbraw/zinc/11/66/43/637116643.db2.gz XWNHQCXUOWAHPZ-BBWFWOEESA-N 1 0 288.435 3.097 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](CO)CC2CC2)c(O)c1C ZINC000850545940 637116767 /nfs/dbraw/zinc/11/67/67/637116767.db2.gz VDMYUJLFEDJTPG-DZGCQCFKSA-N 1 0 277.408 3.068 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCc2cncc(C)n2)cc1 ZINC000850548889 637117482 /nfs/dbraw/zinc/11/74/82/637117482.db2.gz BLVRSJPSPORCMD-HNNXBMFYSA-N 1 0 298.434 3.134 20 10 CGCDRO CCSC1(C[NH2+][C@H](C)c2cccc(OC)c2O)CC1 ZINC000850551370 637117879 /nfs/dbraw/zinc/11/78/79/637117879.db2.gz HKMFDCAZNGHZRK-LLVKDONJSA-N 1 0 281.421 3.337 20 10 CGCDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850567142 637126999 /nfs/dbraw/zinc/12/69/99/637126999.db2.gz XHEHRXNFCZWVDM-LSDHHAIUSA-N 1 0 290.451 3.172 20 10 CGCDRO CC[C@@H]1CCCCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000135644748 637150679 /nfs/dbraw/zinc/15/06/79/637150679.db2.gz RUSNZILWAHDIOO-CYBMUJFWSA-N 1 0 277.364 3.276 20 10 CGCDRO CC(C)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000109761388 637265840 /nfs/dbraw/zinc/26/58/40/637265840.db2.gz RQSVSRPQEBYRLD-HNNXBMFYSA-N 1 0 263.381 3.029 20 10 CGCDRO COc1ccc(C[NH2+]C[C@H]2CC3(CCC3)CO2)cc1C ZINC000886290594 637487211 /nfs/dbraw/zinc/48/72/11/637487211.db2.gz JGPWOSNPSDUTED-OAHLLOKOSA-N 1 0 275.392 3.052 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CC3(CCC3)CO2)cc1C ZINC000886289007 637487302 /nfs/dbraw/zinc/48/73/02/637487302.db2.gz LZNLBNWJFAJCQE-HNNXBMFYSA-N 1 0 275.392 3.058 20 10 CGCDRO CCC[NH+]1CCC(C[NH2+][C@H](C)c2c([O-])cccc2F)CC1 ZINC000886522533 637551477 /nfs/dbraw/zinc/55/14/77/637551477.db2.gz LSRWGPDRGUFEHG-CYBMUJFWSA-N 1 0 294.414 3.304 20 10 CGCDRO C[C@@H]([NH2+]CC(C)(C)CCCO)c1ccc(N(C)C)cc1 ZINC000221591294 637737063 /nfs/dbraw/zinc/73/70/63/637737063.db2.gz MSCDMDABURSNJN-CQSZACIVSA-N 1 0 278.440 3.202 20 10 CGCDRO CCn1nccc1C[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000853240685 637791135 /nfs/dbraw/zinc/79/11/35/637791135.db2.gz RAUAFTJABJKPNH-CYBMUJFWSA-N 1 0 273.380 3.076 20 10 CGCDRO CO[C@@H]1C[C@H]([NH2+][C@H](C)c2cc(C)ccc2O)C1(C)C ZINC000300419157 637838540 /nfs/dbraw/zinc/83/85/40/637838540.db2.gz QQDZHGGYCBRIEN-BYCMXARLSA-N 1 0 263.381 3.165 20 10 CGCDRO COC[C@H]1CCC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000112961107 638139771 /nfs/dbraw/zinc/13/97/71/638139771.db2.gz XLRMPANEOHKRFL-AWEZNQCLSA-N 1 0 285.387 3.404 20 10 CGCDRO COC[C@H](C)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000011788165 638266236 /nfs/dbraw/zinc/26/62/36/638266236.db2.gz HAUIVERLIFQMKM-ZDUSSCGKSA-N 1 0 271.360 3.184 20 10 CGCDRO COc1cccc(C[NH+]2CC(C)(c3ccccc3)C2)c1O ZINC000857058556 638445520 /nfs/dbraw/zinc/44/55/20/638445520.db2.gz QGGBXHNTZDHZND-UHFFFAOYSA-N 1 0 283.371 3.174 20 10 CGCDRO COc1ccc(F)c(C[NH2+][C@H]2CCc3cccc(O)c32)c1 ZINC000857080465 638453319 /nfs/dbraw/zinc/45/33/19/638453319.db2.gz GUHGVNYBBILJMY-HNNXBMFYSA-N 1 0 287.334 3.317 20 10 CGCDRO Cc1ncc(C[NH2+]Cc2ccc(N(C)C)cc2C)s1 ZINC000115629432 638570015 /nfs/dbraw/zinc/57/00/15/638570015.db2.gz CFDCSSLWNXEHNH-UHFFFAOYSA-N 1 0 275.421 3.116 20 10 CGCDRO Oc1cccc(Br)c1C[NH2+][C@H]1[C@@H]2CCC[C@@H]21 ZINC000858191799 638655619 /nfs/dbraw/zinc/65/56/19/638655619.db2.gz CBRZCKNJOKMQJK-WOFXILAISA-N 1 0 282.181 3.043 20 10 CGCDRO C[C@@H]([NH2+]CCCSc1nccs1)[C@@H]1CCCCO1 ZINC000858365276 638694130 /nfs/dbraw/zinc/69/41/30/638694130.db2.gz MFKAQPRCXWFVGM-NEPJUHHUSA-N 1 0 286.466 3.173 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2Cc3ccccc3CO2)c1 ZINC000858454008 638723874 /nfs/dbraw/zinc/72/38/74/638723874.db2.gz SPOLTFKDYSYCOT-YOEHRIQHSA-N 1 0 297.398 3.493 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCCN2CC(F)F)c1 ZINC000858479456 638735165 /nfs/dbraw/zinc/73/51/65/638735165.db2.gz SGVOIYFAEDUAOY-QWHCGFSZSA-N 1 0 298.377 3.081 20 10 CGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)C3(Cl)CC3)C2)cc1 ZINC000926680001 638797767 /nfs/dbraw/zinc/79/77/67/638797767.db2.gz IZVHYCJAYHKKMH-QWHCGFSZSA-N 1 0 294.826 3.023 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@]23CCC[C@H]2OCC3)c1 ZINC000926915916 638824730 /nfs/dbraw/zinc/82/47/30/638824730.db2.gz LEEDFGZALFVVMF-KBRIMQKVSA-N 1 0 275.392 3.310 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+][C@H](C1CC1)[C@@H]1CCCOC1)CC2 ZINC000927065081 638836928 /nfs/dbraw/zinc/83/69/28/638836928.db2.gz DVGKGLKGRZHMSI-IIDMSEBBSA-N 1 0 287.403 3.174 20 10 CGCDRO C[N@@H+](Cc1ccccc1O)C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000929977866 638966112 /nfs/dbraw/zinc/96/61/12/638966112.db2.gz XJKQTRFPFKHEBV-LMKPVCQUSA-N 1 0 267.319 3.115 20 10 CGCDRO CN(C)c1ccc(C[N@H+](Cc2ccnc(F)c2)C2CC2)cc1 ZINC000859082269 639073951 /nfs/dbraw/zinc/07/39/51/639073951.db2.gz SPGJXRUVGXGUPY-UHFFFAOYSA-N 1 0 299.393 3.451 20 10 CGCDRO CSCC1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000932587488 639362453 /nfs/dbraw/zinc/36/24/53/639362453.db2.gz NAGAKFCGHHAJCM-UHFFFAOYSA-N 1 0 278.465 3.328 20 10 CGCDRO CC[C@@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)cc1)C1CC1 ZINC000155351795 639931377 /nfs/dbraw/zinc/93/13/77/639931377.db2.gz PHKDMEYTAFWFJZ-RDTXWAMCSA-N 1 0 288.435 3.362 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]Cc1ccc2ncccc2c1 ZINC000192977334 640422560 /nfs/dbraw/zinc/42/25/60/640422560.db2.gz CNGPIZNPGCUIBW-UHFFFAOYSA-N 1 0 282.318 3.369 20 10 CGCDRO CC[C@@H]([NH2+]CCN1CCC[C@@H](C)C1)c1ccccc1O ZINC000246005799 640651803 /nfs/dbraw/zinc/65/18/03/640651803.db2.gz HFFZXJBSUQCPEN-GDBMZVCRSA-N 1 0 276.424 3.165 20 10 CGCDRO CCOc1cccc(C[N@H+](C)Cc2ccccc2O)c1O ZINC000091956745 640727740 /nfs/dbraw/zinc/72/77/40/640727740.db2.gz LBLJEMHFKCCYKM-UHFFFAOYSA-N 1 0 287.359 3.129 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2C[C@](C)(OC)C2(C)C)c1 ZINC000248519825 640765723 /nfs/dbraw/zinc/76/57/23/640765723.db2.gz QQJCUWYMDXOLFA-CXMBCZLWSA-N 1 0 293.407 3.255 20 10 CGCDRO COc1cccc(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)c1O ZINC000093442053 640771226 /nfs/dbraw/zinc/77/12/26/640771226.db2.gz VNCTXZWELGGGFC-BETUJISGSA-N 1 0 261.365 3.023 20 10 CGCDRO C[N@H+](CCc1nccs1)Cc1cc(Cl)ccc1O ZINC000093843884 640782954 /nfs/dbraw/zinc/78/29/54/640782954.db2.gz FDJVUDSIQVQADB-UHFFFAOYSA-N 1 0 282.796 3.177 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]C[C@H](O)c1cccc(F)c1 ZINC000113329160 640975224 /nfs/dbraw/zinc/97/52/24/640975224.db2.gz FQAMQHRRTPMOAK-HNNXBMFYSA-N 1 0 295.741 3.008 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(O)c(F)c2)c1 ZINC000273467297 641002753 /nfs/dbraw/zinc/00/27/53/641002753.db2.gz FBTYENLYXDLODC-JTQLQIEISA-N 1 0 291.322 3.096 20 10 CGCDRO Cc1cc(C)c(CNc2cc3[nH]ccc3c[nH+]2)c(O)c1 ZINC001160808656 806305630 /nfs/dbraw/zinc/30/56/30/806305630.db2.gz XCXUKMJHKOAHKT-UHFFFAOYSA-N 1 0 267.332 3.497 20 10 CGCDRO C[C@@H](CC(=O)OC(C)(C)C)[NH2+]Cc1cc(Cl)ccc1O ZINC001254185114 806359601 /nfs/dbraw/zinc/35/96/01/806359601.db2.gz WADPCIAWGBGQRT-JTQLQIEISA-N 1 0 299.798 3.256 20 10 CGCDRO CCOC(=O)[C@H]1CCC[C@H]([NH2+][C@H](C)c2ccccc2O)C1 ZINC001255343871 806623002 /nfs/dbraw/zinc/62/30/02/806623002.db2.gz PKROINZIQCVRQC-RDBSUJKOSA-N 1 0 291.391 3.165 20 10 CGCDRO Fc1ccc(CC[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000037362448 798866554 /nfs/dbraw/zinc/86/65/54/798866554.db2.gz TWDNQLZMLWCTSG-UHFFFAOYSA-N 1 0 271.335 3.093 20 10 CGCDRO CC(=O)c1cc(F)cc(C[N@H+]2[C@H](C)CCC[C@@H]2C)c1O ZINC000037322755 798866921 /nfs/dbraw/zinc/86/69/21/798866921.db2.gz VEUUNBXNYXQNQT-PHIMTYICSA-N 1 0 279.355 3.497 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2nc3ccccc3[nH]2)c1 ZINC000315243766 799235404 /nfs/dbraw/zinc/23/54/04/799235404.db2.gz USPFSXIJZXWGKK-NSHDSACASA-N 1 0 297.358 3.128 20 10 CGCDRO CCC[C@H](C[NH2+][C@H](C)c1ccc(N(C)C)cc1)OC ZINC000381088150 799372527 /nfs/dbraw/zinc/37/25/27/799372527.db2.gz CRAVMCKTSYNFPE-CZUORRHYSA-N 1 0 264.413 3.218 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)[C@H](OC)C2CC2)cc1 ZINC000388317943 799451938 /nfs/dbraw/zinc/45/19/38/799451938.db2.gz VWQCHTAXVSKVFS-KDOFPFPSSA-N 1 0 290.451 3.436 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)[C@@H](OC)C1CC1)c1ccccc1O ZINC000388291505 799452094 /nfs/dbraw/zinc/45/20/94/799452094.db2.gz WNNCFEGZYWFJBM-HZUKXOBISA-N 1 0 263.381 3.246 20 10 CGCDRO CC1(C)CCC[C@@H]1C[NH2+]Cc1cc(F)ccc1O ZINC000388841902 799456860 /nfs/dbraw/zinc/45/68/60/799456860.db2.gz HNYMIGHCPGQHEA-GFCCVEGCSA-N 1 0 251.345 3.447 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2O)[C@H]1C ZINC000390530718 799472310 /nfs/dbraw/zinc/47/23/10/799472310.db2.gz IJOSRHCZJDQDND-VDDIYKPWSA-N 1 0 284.197 3.289 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CCCC2(F)F)cc1 ZINC000390620105 799472885 /nfs/dbraw/zinc/47/28/85/799472885.db2.gz ZGBQVEMGVDGQIQ-CYBMUJFWSA-N 1 0 268.351 3.278 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1CCCC1(F)F)c1ccccc1O ZINC000390708442 799473553 /nfs/dbraw/zinc/47/35/53/799473553.db2.gz VZHBTHCQSNRSAU-MNOVXSKESA-N 1 0 255.308 3.478 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCCC2(F)F)c1 ZINC000390892313 799475579 /nfs/dbraw/zinc/47/55/79/799475579.db2.gz YZWIDOFXBIHAHS-WDEREUQCSA-N 1 0 285.334 3.487 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]C[C@H]1CCCC1(F)F)CC2 ZINC000390855369 799475698 /nfs/dbraw/zinc/47/56/98/799475698.db2.gz JIGWAXBXBBRTDE-VXGBXAGGSA-N 1 0 267.319 3.405 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc(N(CC)CC)cc1)C(C)(C)O ZINC000394003629 799493448 /nfs/dbraw/zinc/49/34/48/799493448.db2.gz JVGWCAWCOPOGLF-MRXNPFEDSA-N 1 0 278.440 3.172 20 10 CGCDRO CS[C@H]1CC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000394998329 799501775 /nfs/dbraw/zinc/50/17/75/799501775.db2.gz ILCRLPBFIYMVSK-LBPRGKRZSA-N 1 0 299.823 3.186 20 10 CGCDRO Cc1cc(C)c(C[NH2+][C@H]2CCc3cccc(O)c32)cn1 ZINC000396997561 799512007 /nfs/dbraw/zinc/51/20/07/799512007.db2.gz XZJPSEQNIHZMLT-HNNXBMFYSA-N 1 0 268.360 3.181 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CS[C@@H](C)C2)c1O ZINC000397770280 799520223 /nfs/dbraw/zinc/52/02/23/799520223.db2.gz ACHFYFNHSZJWJU-KWQFWETISA-N 1 0 287.812 3.038 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CS[C@@H](C)C2)c(O)c1 ZINC000397866228 799522125 /nfs/dbraw/zinc/52/21/25/799522125.db2.gz AFNZDVGMLNTFRK-SDDRHHMPSA-N 1 0 251.395 3.245 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C(C)(C)CCOC)cc1 ZINC000397932375 799523131 /nfs/dbraw/zinc/52/31/31/799523131.db2.gz VNKFNBHVMHBEFC-UHFFFAOYSA-N 1 0 278.440 3.438 20 10 CGCDRO C[C@H]1CC[C@@H](C[NH2+]Cc2ccc(N3CCCCC3)cc2)O1 ZINC000398089468 799525663 /nfs/dbraw/zinc/52/56/63/799525663.db2.gz RFPQHDVMHMMRQA-YJBOKZPZSA-N 1 0 288.435 3.334 20 10 CGCDRO CC[C@@H](C[NH2+]Cc1ccccc1O)CC(F)(F)F ZINC000402487516 799562455 /nfs/dbraw/zinc/56/24/55/799562455.db2.gz OBBKYRYKBPFYKH-SNVBAGLBSA-N 1 0 261.287 3.460 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H]2CC[C@H]3C[C@H]3C2)c1O ZINC000403331767 799565698 /nfs/dbraw/zinc/56/56/98/799565698.db2.gz CTMLQAGYRHFSGJ-FPMFFAJLSA-N 1 0 261.365 3.069 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)cc1 ZINC000403577874 799568034 /nfs/dbraw/zinc/56/80/34/799568034.db2.gz PPNXYNVQKKONIA-VHRNVKJDSA-N 1 0 276.449 3.269 20 10 CGCDRO Cc1cc(C[NH2+]Cc2cc(Cl)ccc2O)sn1 ZINC000404299347 799576086 /nfs/dbraw/zinc/57/60/86/799576086.db2.gz YRNLJQQTYRVQFQ-UHFFFAOYSA-N 1 0 268.769 3.100 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H]1C[C@H](C)O[C@@H]1C)c1ccccc1O ZINC000686510288 799735131 /nfs/dbraw/zinc/73/51/31/799735131.db2.gz AKUSOYARYZYINV-XFMPKHEZSA-N 1 0 263.381 3.246 20 10 CGCDRO C[C@@H]([NH2+][C@H]1COC2(CCC2)C1)c1ccc(N(C)C)cc1 ZINC000688281422 799745648 /nfs/dbraw/zinc/74/56/48/799745648.db2.gz DSGHFOLLUHXFPD-UKRRQHHQSA-N 1 0 274.408 3.115 20 10 CGCDRO Cc1ccc(CC[NH2+][C@H](C)c2cc(F)ccc2O)nc1 ZINC000689395913 799763691 /nfs/dbraw/zinc/76/36/91/799763691.db2.gz ZZGPESXQCQBEOZ-GFCCVEGCSA-N 1 0 274.339 3.128 20 10 CGCDRO CCc1cccc(C[NH2+]CCOC(C)(C)CC)c1O ZINC000691464842 799784224 /nfs/dbraw/zinc/78/42/24/799784224.db2.gz KQHWLOIRSNQOLX-UHFFFAOYSA-N 1 0 265.397 3.249 20 10 CGCDRO C[C@@H]([NH2+]C[C@H](C)c1ccccn1)c1cc(F)ccc1O ZINC000692694666 799797215 /nfs/dbraw/zinc/79/72/15/799797215.db2.gz HLFORFYSYRYEKG-NWDGAFQWSA-N 1 0 274.339 3.381 20 10 CGCDRO COc1ccc(C[NH2+]C[C@@H](OC)C2CCCC2)cc1C ZINC000692973265 799805993 /nfs/dbraw/zinc/80/59/93/799805993.db2.gz BXKIVPDXAIZSES-QGZVFWFLSA-N 1 0 277.408 3.298 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCOC2(C)C)c(O)c1 ZINC000693079614 799808065 /nfs/dbraw/zinc/80/80/65/799808065.db2.gz POQARSLWZSWCIU-STQMWFEESA-N 1 0 263.381 3.166 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1C[C@@H]2[C@H](C1)C2(F)F)c1ccccc1O ZINC000693330394 799809419 /nfs/dbraw/zinc/80/94/19/799809419.db2.gz BDQJZOJQGNHYGB-VCDKRKBESA-N 1 0 267.319 3.334 20 10 CGCDRO COc1ccc(O)c(C[NH2+]CC2CCC(F)(F)CC2)c1 ZINC000693402213 799810289 /nfs/dbraw/zinc/81/02/89/799810289.db2.gz NWVOBOYEUINUJY-UHFFFAOYSA-N 1 0 285.334 3.316 20 10 CGCDRO C[C@H](Cc1ccccn1)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000694008105 799819008 /nfs/dbraw/zinc/81/90/08/799819008.db2.gz RFGGUHBQRYUFCC-VXGBXAGGSA-N 1 0 274.339 3.208 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)C1(Cl)CC1 ZINC000695642078 799830581 /nfs/dbraw/zinc/83/05/81/799830581.db2.gz XXDLFBSZAIIYRK-NSHDSACASA-N 1 0 252.789 3.002 20 10 CGCDRO C[C@@H]([NH2+]CCCOC(C)(C)C)c1cc(F)ccc1O ZINC000695286523 799828407 /nfs/dbraw/zinc/82/84/07/799828407.db2.gz XLTWUXUCDUWTQS-LLVKDONJSA-N 1 0 269.360 3.387 20 10 CGCDRO CO[C@@H](C[NH2+]Cc1cc(C)ccc1O)C1CCCCC1 ZINC000695163686 799828551 /nfs/dbraw/zinc/82/85/51/799828551.db2.gz ZDYXCLAXASICII-KRWDZBQOSA-N 1 0 277.408 3.386 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(Cl)o1)c1ccccc1O ZINC000698169563 799852900 /nfs/dbraw/zinc/85/29/00/799852900.db2.gz XEDSKTKJWWKUOG-SECBINFHSA-N 1 0 251.713 3.489 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCN2C(C)(C)C)c(O)c1 ZINC000701951648 799899183 /nfs/dbraw/zinc/89/91/83/799899183.db2.gz BUDGBNJBEIZDDR-KBPBESRZSA-N 1 0 276.424 3.224 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CC[C@@H]2CC2(F)F)c(O)c1 ZINC000701948386 799899458 /nfs/dbraw/zinc/89/94/58/799899458.db2.gz VJNNIACIBIODDD-GHMZBOCLSA-N 1 0 255.308 3.397 20 10 CGCDRO COc1ccc(C[NH2+]CC[C@@H]2CC2(F)F)cc1C ZINC000701948359 799899505 /nfs/dbraw/zinc/89/95/05/799899505.db2.gz VBIAQRVGXGVJJX-GFCCVEGCSA-N 1 0 255.308 3.139 20 10 CGCDRO CCC[C@@H](C[NH2+]Cc1c(O)cccc1Cl)OCC ZINC000705386996 799948741 /nfs/dbraw/zinc/94/87/41/799948741.db2.gz XQPINIGKSBQYKA-NSHDSACASA-N 1 0 271.788 3.340 20 10 CGCDRO CC1(C)C[C@@H]1[NH2+]Cc1c(O)cccc1Br ZINC000706833938 799967891 /nfs/dbraw/zinc/96/78/91/799967891.db2.gz MMSZHOCDLZCWRR-NSHDSACASA-N 1 0 270.170 3.043 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]C[C@@H]1CCC3(CCC3)O1)CC2 ZINC000711447129 800058113 /nfs/dbraw/zinc/05/81/13/800058113.db2.gz HREFIKRTKYSXHR-UONOGXRCSA-N 1 0 273.376 3.071 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]C[C@H]1CCC3(CCC3)O1)CC2 ZINC000711447131 800058710 /nfs/dbraw/zinc/05/87/10/800058710.db2.gz HREFIKRTKYSXHR-ZIAGYGMSSA-N 1 0 273.376 3.071 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+][C@@H](C1CCC1)[C@H]1CCOC1 ZINC000711839042 800074733 /nfs/dbraw/zinc/07/47/33/800074733.db2.gz DQQIRVDCKLWPJH-LRDDRELGSA-N 1 0 295.810 3.340 20 10 CGCDRO C[C@H]([NH2+][C@H](C1CCC1)[C@H]1CCOC1)c1ccccc1O ZINC000711873255 800077408 /nfs/dbraw/zinc/07/74/08/800077408.db2.gz DHYUPQBNHPLVLD-RVSPLBMKSA-N 1 0 275.392 3.248 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1CCN1Cc1ccccc1)c1ccccc1O ZINC000716230458 800165822 /nfs/dbraw/zinc/16/58/22/800165822.db2.gz RAHWDHWQXSTUQS-DOTOQJQBSA-N 1 0 296.414 3.317 20 10 CGCDRO C[C@@H]([NH2+]Cc1ncc(Cl)s1)c1ccccc1O ZINC000719402178 800238063 /nfs/dbraw/zinc/23/80/63/800238063.db2.gz LQMQEIUCIOIJJR-MRVPVSSYSA-N 1 0 268.769 3.353 20 10 CGCDRO C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000724640594 800365061 /nfs/dbraw/zinc/36/50/61/800365061.db2.gz VPPSTVIWRQJBCT-KNCOVGOOSA-N 1 0 276.424 3.359 20 10 CGCDRO CCc1cccc(C[N@H+](C)CCC(F)(F)F)c1O ZINC000821982505 800458650 /nfs/dbraw/zinc/45/86/50/800458650.db2.gz LCIBOHFQEIIKCR-UHFFFAOYSA-N 1 0 261.287 3.339 20 10 CGCDRO CCN(C)c1ccc(C[NH2+][C@H](C)C(C)(C)OC)cc1 ZINC000932373074 800660442 /nfs/dbraw/zinc/66/04/42/800660442.db2.gz XKFBCBCESSYPIN-CYBMUJFWSA-N 1 0 264.413 3.046 20 10 CGCDRO CC(C)CC[C@@H](C)[NH2+]CCc1ccc(O)c(O)c1 ZINC001256354076 806863129 /nfs/dbraw/zinc/86/31/29/806863129.db2.gz DAODSPCLEPDXFO-GFCCVEGCSA-N 1 0 251.370 3.055 20 10 CGCDRO COc1cccc2c1CC[C@H]([N@H+](C)Cc1ccccc1O)C2 ZINC001256654368 806941116 /nfs/dbraw/zinc/94/11/16/806941116.db2.gz MRKFKRUIQRKEEN-INIZCTEOSA-N 1 0 297.398 3.390 20 10 CGCDRO CCCC[C@H](CN)[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2C ZINC001118122712 802527036 /nfs/dbraw/zinc/52/70/36/802527036.db2.gz ZRAYEVUDJZCINT-MJBXVCDLSA-N 1 0 276.424 3.356 20 10 CGCDRO C[N@H+](CCCF)Cc1ccc(N2CCCC2)cc1 ZINC001119440373 802665139 /nfs/dbraw/zinc/66/51/39/802665139.db2.gz IPTFDQFJTRBFHT-UHFFFAOYSA-N 1 0 250.361 3.078 20 10 CGCDRO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(N)cc1 ZINC001120371330 802742644 /nfs/dbraw/zinc/74/26/44/802742644.db2.gz VVDDQVHHEVSPRS-JOYOIKCWSA-N 1 0 258.287 3.042 20 10 CGCDRO CC[N@H+](Cc1ccc(Cl)nc1)Cc1ccccc1O ZINC001137168856 803692526 /nfs/dbraw/zinc/69/25/26/803692526.db2.gz RGPHSJUDNPASJV-UHFFFAOYSA-N 1 0 276.767 3.463 20 10 CGCDRO [O-]c1cccc(F)c1C[N@H+](C1CCC1)C1CCOCC1 ZINC001137841364 803780108 /nfs/dbraw/zinc/78/01/08/803780108.db2.gz BNQSRRIRRFJMEF-UHFFFAOYSA-N 1 0 279.355 3.065 20 10 CGCDRO CCCCCC[NH+]1CCN(Cc2c(O)cccc2F)CC1 ZINC001137837538 803780371 /nfs/dbraw/zinc/78/03/71/803780371.db2.gz KWKXDXPBNYDAOO-UHFFFAOYSA-N 1 0 294.414 3.229 20 10 CGCDRO COCC1C[NH+](Cc2cc(C)n(-c3ccccc3)c2C)C1 ZINC001137853987 803784561 /nfs/dbraw/zinc/78/45/61/803784561.db2.gz CXJYSUPZCHBECN-UHFFFAOYSA-N 1 0 284.403 3.172 20 10 CGCDRO c1cc(N2CCCCC2)ccc1C[N@@H+]1CC[C@@]12CCOC2 ZINC001138222426 803874063 /nfs/dbraw/zinc/87/40/63/803874063.db2.gz XJIMXPBJVGKBKG-SFHVURJKSA-N 1 0 286.419 3.042 20 10 CGCDRO Cc1c(C[N@@H+]2CCCO[C@@H](C)C2)c2ccccc2n1C ZINC001138252971 803881033 /nfs/dbraw/zinc/88/10/33/803881033.db2.gz YMYIQDCLYWDKLQ-ZDUSSCGKSA-N 1 0 272.392 3.098 20 10 CGCDRO Cc1c(C[N@@H+]2CC[C@@H]3CCCO[C@H]3C2)c2ccccc2n1C ZINC001138253715 803883075 /nfs/dbraw/zinc/88/30/75/803883075.db2.gz DKTOPCGHHSAZLC-KXBFYZLASA-N 1 0 298.430 3.488 20 10 CGCDRO C[N@H+](Cc1cc2c3c(c1O)CCCN3CCC2)C(C)(C)C ZINC001138337277 803898042 /nfs/dbraw/zinc/89/80/42/803898042.db2.gz MKYBQSSFSOSNMM-UHFFFAOYSA-N 1 0 288.435 3.321 20 10 CGCDRO CN1CCCc2cc(C[N@H+](C)Cc3cncs3)ccc21 ZINC001138359082 803902035 /nfs/dbraw/zinc/90/20/35/803902035.db2.gz KBOFBRPLOMDIPW-UHFFFAOYSA-N 1 0 287.432 3.158 20 10 CGCDRO CN1CCCc2cc(C[N@@H+]3CCC[C@@H](F)C3)ccc21 ZINC001138357046 803902661 /nfs/dbraw/zinc/90/26/61/803902661.db2.gz BNFGYXBUQOLBRV-OAHLLOKOSA-N 1 0 262.372 3.003 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2ccc3c(c2)CCCN3C)C2(CC2)C1 ZINC001138358888 803903408 /nfs/dbraw/zinc/90/34/08/803903408.db2.gz DJEXWUFSJSLRMO-AWEZNQCLSA-N 1 0 270.420 3.443 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](C)C2)c(OC)c1 ZINC001138386105 803913632 /nfs/dbraw/zinc/91/36/32/803913632.db2.gz HGPFZVOJPLIPIN-CQSZACIVSA-N 1 0 276.424 3.383 20 10 CGCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCCCC12CC2 ZINC001138499511 803953624 /nfs/dbraw/zinc/95/36/24/803953624.db2.gz NPRVFVBFYKENIM-UHFFFAOYSA-N 1 0 286.419 3.042 20 10 CGCDRO Cc1cc(C[N@@H+]2CCC[C@@H](CF)C2)ccc1N(C)C ZINC001139672997 804247619 /nfs/dbraw/zinc/24/76/19/804247619.db2.gz MYYVYXXYHQGJKR-HNNXBMFYSA-N 1 0 264.388 3.243 20 10 CGCDRO Cc1cc(C[N@H+](C)Cc2cncs2)ccc1N(C)C ZINC001139674149 804248136 /nfs/dbraw/zinc/24/81/36/804248136.db2.gz RIIHFBTZNMEWOM-UHFFFAOYSA-N 1 0 275.421 3.150 20 10 CGCDRO C[C@@]1(F)CCCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC001140058243 804365281 /nfs/dbraw/zinc/36/52/81/804365281.db2.gz WDRJVTGLWSZFAT-CQSZACIVSA-N 1 0 255.308 3.245 20 10 CGCDRO Oc1ccc(F)cc1C[N@H+]1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001140063069 804367373 /nfs/dbraw/zinc/36/73/73/804367373.db2.gz JNOJYYJEQZPLAD-PHIMTYICSA-N 1 0 271.282 3.008 20 10 CGCDRO C[C@H]1C[C@@H](CF)[N@H+](Cc2c(O)cccc2Cl)C1 ZINC001140337715 804417842 /nfs/dbraw/zinc/41/78/42/804417842.db2.gz AXDNFPWGSCBMQC-UWVGGRQHSA-N 1 0 257.736 3.226 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H](c3ccncc3)C2)c1 ZINC001140621343 804476697 /nfs/dbraw/zinc/47/66/97/804476697.db2.gz YBNXUWJZKRPBSJ-HNNXBMFYSA-N 1 0 268.360 3.085 20 10 CGCDRO COc1cccc(CC[N@H+](C)Cc2cc(C)ccc2O)c1 ZINC001140623406 804476975 /nfs/dbraw/zinc/47/69/75/804476975.db2.gz QVOZKDNDRGIVPE-UHFFFAOYSA-N 1 0 285.387 3.384 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+](C)CCN(C)Cc2ccccc2)c1 ZINC001140623952 804477926 /nfs/dbraw/zinc/47/79/26/804477926.db2.gz YUOBFQZUIRJAKI-UHFFFAOYSA-N 1 0 298.430 3.264 20 10 CGCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1F)CC(C)(C)C ZINC001140661668 804486117 /nfs/dbraw/zinc/48/61/17/804486117.db2.gz NFIFQFKMNGSRRJ-UHFFFAOYSA-N 1 0 294.414 3.140 20 10 CGCDRO Cc1c(O)ccc(C[N@H+](C)Cc2ccc(F)cc2)c1O ZINC001140742745 804502585 /nfs/dbraw/zinc/50/25/85/804502585.db2.gz XLQMSJZDOPLMMH-UHFFFAOYSA-N 1 0 275.323 3.177 20 10 CGCDRO Cc1cccc2c1C[N@H+](Cc1ccc(O)c(C)c1O)C2 ZINC001140742157 804503710 /nfs/dbraw/zinc/50/37/10/804503710.db2.gz IYRRMUXAYQHETC-UHFFFAOYSA-N 1 0 269.344 3.230 20 10 CGCDRO Cc1ccc(CC[N@@H+](C)Cc2ccc(O)c(C)c2O)cc1 ZINC001140749375 804504503 /nfs/dbraw/zinc/50/45/03/804504503.db2.gz XJLNVYOFROEFRX-UHFFFAOYSA-N 1 0 285.387 3.389 20 10 CGCDRO Cc1ccc(C[N@@H+](C)Cc2ccccc2F)c(O)c1 ZINC001140950364 804557335 /nfs/dbraw/zinc/55/73/35/804557335.db2.gz ZPWXNTFGOLSLKD-UHFFFAOYSA-N 1 0 259.324 3.472 20 10 CGCDRO COc1cc(O)c(C[NH+]2CCC(C)(C)CC2)c(OC)c1 ZINC001141028247 804574935 /nfs/dbraw/zinc/57/49/35/804574935.db2.gz HGFOXQFOTIGHGT-UHFFFAOYSA-N 1 0 279.380 3.031 20 10 CGCDRO CN1CCOc2cc(C[N@@H+]3CCCC[C@@](C)(F)C3)ccc21 ZINC001141140849 804596557 /nfs/dbraw/zinc/59/65/57/804596557.db2.gz PSNJSLKIKXFNHD-QGZVFWFLSA-N 1 0 292.398 3.229 20 10 CGCDRO Cc1ccccc1C[N@@H+](C)Cc1ccc2c(c1)OCCN2C ZINC001141143230 804596578 /nfs/dbraw/zinc/59/65/78/804596578.db2.gz QAWBOCBXSXQVEC-UHFFFAOYSA-N 1 0 296.414 3.456 20 10 CGCDRO COC[C@@H]1CCC[N@@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001143104469 804802190 /nfs/dbraw/zinc/80/21/90/804802190.db2.gz SVXLPCDAVHFXHA-AWEZNQCLSA-N 1 0 277.408 3.301 20 10 CGCDRO CC(C)(C)c1cccc(C[N@@H+]2CCCC(=O)CC2)c1O ZINC001143105483 804802816 /nfs/dbraw/zinc/80/28/16/804802816.db2.gz YIILITGXVNXGQJ-UHFFFAOYSA-N 1 0 275.392 3.245 20 10 CGCDRO CC1(C)C[NH+](Cc2ccc3c(c2O)C=CC(C)(C)O3)C1 ZINC001249223442 805115572 /nfs/dbraw/zinc/11/55/72/805115572.db2.gz GMCUTCDDNSRFJH-UHFFFAOYSA-N 1 0 273.376 3.418 20 10 CGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)[C@@H]1CCCSC1 ZINC001257681096 807214739 /nfs/dbraw/zinc/21/47/39/807214739.db2.gz HDVYHKIFWHNQDC-MRXNPFEDSA-N 1 0 278.465 3.470 20 10 CGCDRO CC[N@H+](Cc1ccccc1O)[C@H]1CCCSC1 ZINC001257681024 807214847 /nfs/dbraw/zinc/21/48/47/807214847.db2.gz NFBIHXQMCVKFIG-ZDUSSCGKSA-N 1 0 251.395 3.110 20 10 CGCDRO CCOC(=O)CCC[C@H](C)[N@H+](CC)Cc1ccccc1O ZINC001258128509 807317422 /nfs/dbraw/zinc/31/74/22/807317422.db2.gz IXEBBZMSQPVANG-AWEZNQCLSA-N 1 0 293.407 3.336 20 10 CGCDRO C[C@H](Cc1cccnc1)[NH2+][C@H](C)c1ccccc1O ZINC001258614736 807511286 /nfs/dbraw/zinc/51/12/86/807511286.db2.gz UWUPNTJXTVRDPK-CHWSQXEVSA-N 1 0 256.349 3.069 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]CC(=O)c2ccc(O)c(O)c2)CC(C)(C)C1 ZINC001258688925 807544990 /nfs/dbraw/zinc/54/49/90/807544990.db2.gz ZSJYEQOFQVSAPD-DGCLKSJQSA-N 1 0 291.391 3.085 20 10 CGCDRO CC[C@H](C[C@@H](C)CC)[NH2+]Cc1ccc(O)cc1O ZINC001258782252 807609516 /nfs/dbraw/zinc/60/95/16/807609516.db2.gz NDBDDDQNACWURW-WCQYABFASA-N 1 0 251.370 3.402 20 10 CGCDRO CC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(O)c(O)c1 ZINC001258841412 807653679 /nfs/dbraw/zinc/65/36/79/807653679.db2.gz KTNFOQKNFSZLMZ-HNNXBMFYSA-N 1 0 271.360 3.209 20 10 CGCDRO C[C@@H]1C[C@H](C[NH2+]Cc2ccc(N3CCCC3)cc2)[C@H](C)O1 ZINC001261368306 807739576 /nfs/dbraw/zinc/73/95/76/807739576.db2.gz ZISQQHRLOVNEKB-HLLBOEOZSA-N 1 0 288.435 3.190 20 10 CGCDRO Nc1ccc(C[N@H+](CCCO)[C@H]2CCc3ccccc32)cc1 ZINC001262488288 807867519 /nfs/dbraw/zinc/86/75/19/807867519.db2.gz XCXXRPDJUQFTNL-IBGZPJMESA-N 1 0 296.414 3.141 20 10 CGCDRO Oc1cccc2c1C[N@@H+]([C@H]1CCc3cccc(F)c3C1)CC2 ZINC001171005933 807959234 /nfs/dbraw/zinc/95/92/34/807959234.db2.gz UBESJGJVHQVZNP-HNNXBMFYSA-N 1 0 297.373 3.447 20 10 CGCDRO CC[N@H+](Cc1ccccc1O)[C@H]1CCC[C@H](OC)C1 ZINC001172946188 808493259 /nfs/dbraw/zinc/49/32/59/808493259.db2.gz SMOODFKUHVVXPN-GJZGRUSLSA-N 1 0 263.381 3.172 20 10 CGCDRO CO[C@@H]1CCC[C@H]([N@H+](C)Cc2ccc(N(C)C)cc2)C1 ZINC001172951785 808494147 /nfs/dbraw/zinc/49/41/47/808494147.db2.gz TYJLSVYLZFHONN-DLBZAZTESA-N 1 0 276.424 3.142 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CCc3ncsc3C2)cc1C ZINC001173133227 808522347 /nfs/dbraw/zinc/52/23/47/808522347.db2.gz UPQUKJJVSJULCF-CYBMUJFWSA-N 1 0 288.416 3.107 20 10 CGCDRO Cc1cc(C)c(C[NH2+][C@@H]2CCc3ncsc3C2)c(O)c1 ZINC001173131211 808522969 /nfs/dbraw/zinc/52/29/69/808522969.db2.gz KGZMWPHGKIMTOP-GFCCVEGCSA-N 1 0 288.416 3.113 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCCSC[C@@H]2C2CC2)cc1 ZINC001176642064 809736386 /nfs/dbraw/zinc/73/63/86/809736386.db2.gz WAWYUDRZAKYRDB-QGZVFWFLSA-N 1 0 290.476 3.470 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc3cnccc3o2)c1 ZINC001179052649 809902595 /nfs/dbraw/zinc/90/25/95/809902595.db2.gz CNDNTFJHHUOSKY-LLVKDONJSA-N 1 0 298.342 3.393 20 10 CGCDRO CC1(C)CCC[C@H](C[NH2+]Cc2ccc3c(c2)CCCO3)O1 ZINC001179741214 809940811 /nfs/dbraw/zinc/94/08/11/809940811.db2.gz VOAJEYJVPDSRKD-MRXNPFEDSA-N 1 0 289.419 3.449 20 10 CGCDRO CC[C@@H]1CCC[N@H+](Cc2ccc(OC)c(OC)c2O)CC1 ZINC001179935975 809960934 /nfs/dbraw/zinc/96/09/34/809960934.db2.gz FRRIAICIOTXDHS-CYBMUJFWSA-N 1 0 293.407 3.422 20 10 CGCDRO CC(C)(C[NH2+]Cc1cc(F)c(F)cc1[O-])C(F)(F)F ZINC001181144257 810040778 /nfs/dbraw/zinc/04/07/78/810040778.db2.gz BAXCZAXGUTZNAQ-UHFFFAOYSA-N 1 0 283.240 3.349 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+]CCO[C@@H]2CCCCO2)c1 ZINC001182033217 810091491 /nfs/dbraw/zinc/09/14/91/810091491.db2.gz PDFPLLCUKOBTKU-QGZVFWFLSA-N 1 0 293.407 3.148 20 10 CGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)c1 ZINC001182520191 810113404 /nfs/dbraw/zinc/11/34/04/810113404.db2.gz GETJLPSQEGRZOT-PBHICJAKSA-N 1 0 275.392 3.126 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC001183371726 810147411 /nfs/dbraw/zinc/14/74/11/810147411.db2.gz SAJDFVQTJBGYQO-JKSUJKDBSA-N 1 0 290.476 3.246 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CC[C@H](C3CC3)O2)cc1Cl ZINC001184055906 810175604 /nfs/dbraw/zinc/17/56/04/810175604.db2.gz OAANPFYSCWVXSM-CZUORRHYSA-N 1 0 295.810 3.401 20 10 CGCDRO CCCCN(C)CC[NH2+]Cc1c(O)cc(C)cc1Cl ZINC001200346064 811680869 /nfs/dbraw/zinc/68/08/69/811680869.db2.gz LHOVITCGYVGYJN-UHFFFAOYSA-N 1 0 284.831 3.176 20 10 CGCDRO COc1ccc(C[NH2+]CCc2ccncc2C)cc1C ZINC001201504321 811874070 /nfs/dbraw/zinc/87/40/70/811874070.db2.gz UGJUVOCJNCCGRC-UHFFFAOYSA-N 1 0 270.376 3.039 20 10 CGCDRO C[C@@H]1CCC[C@H](C[NH2+]Cc2ccc3c(c2)CCCO3)O1 ZINC001203162326 812258480 /nfs/dbraw/zinc/25/84/80/812258480.db2.gz ZFAWQMYEXZAHKQ-CZUORRHYSA-N 1 0 275.392 3.059 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CCCC[C@@H](F)C2)c1O ZINC001203602389 812405397 /nfs/dbraw/zinc/40/53/97/812405397.db2.gz TVGARSSRSIEZFY-CYBMUJFWSA-N 1 0 267.344 3.115 20 10 CGCDRO Oc1ccc(Br)cc1C[N@@H+]1CCC[C@H]2C[C@H]21 ZINC001203650600 812416284 /nfs/dbraw/zinc/41/62/84/812416284.db2.gz XKMXSMXSPVCJGK-JOYOIKCWSA-N 1 0 282.181 3.139 20 10 CGCDRO CC1(C)C[N@H+](Cc2ccc(O)c(O)c2)Cc2ccccc21 ZINC001203879335 812478001 /nfs/dbraw/zinc/47/80/01/812478001.db2.gz IGNXOXMIZIQKCR-UHFFFAOYSA-N 1 0 283.371 3.391 20 10 CGCDRO Oc1ccc(C[N@@H+]2CCC[C@H]2c2cccs2)cc1O ZINC001203878512 812478015 /nfs/dbraw/zinc/47/80/15/812478015.db2.gz HPTOGEHMWLYWDQ-LBPRGKRZSA-N 1 0 275.373 3.496 20 10 CGCDRO Cc1nc2c(s1)C[N@H+](Cc1ccc(N(C)C)cc1)CC2 ZINC001203933712 812496357 /nfs/dbraw/zinc/49/63/57/812496357.db2.gz GUHMJAJRCYBPOW-UHFFFAOYSA-N 1 0 287.432 3.076 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](C(C)=O)C2)cc1 ZINC001203942435 812497363 /nfs/dbraw/zinc/49/73/63/812497363.db2.gz QMNKRRSVHUPVES-KRWDZBQOSA-N 1 0 288.435 3.334 20 10 CGCDRO C[C@@H]1CC=CC[C@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001204012638 812519902 /nfs/dbraw/zinc/51/99/02/812519902.db2.gz XCWOVJPRXPDMJX-CZUORRHYSA-N 1 0 257.377 3.456 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](F)C2)c2ccccc21 ZINC001204232644 812579876 /nfs/dbraw/zinc/57/98/76/812579876.db2.gz HJYZMUPEDOJRMN-CQSZACIVSA-N 1 0 272.367 3.450 20 10 CGCDRO CO[C@@H](C)C1C[NH+](Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001204240354 812583334 /nfs/dbraw/zinc/58/33/34/812583334.db2.gz PVQPFFUGJRMACT-AWEZNQCLSA-N 1 0 298.430 3.373 20 10 CGCDRO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(O)cc2O)cc1 ZINC001204275641 812593635 /nfs/dbraw/zinc/59/36/35/812593635.db2.gz XNGWBNNMSQKLNG-KRWDZBQOSA-N 1 0 299.370 3.444 20 10 CGCDRO COc1cccc([C@H]2CC[N@H+](Cc3ccc(O)cc3O)C2)c1 ZINC001204277916 812595272 /nfs/dbraw/zinc/59/52/72/812595272.db2.gz OXKIECMXCXFEGO-AWEZNQCLSA-N 1 0 299.370 3.096 20 10 CGCDRO COc1cc(C[N@H+](C)[C@H]2CC[C@H](C)CC2)cc(O)c1O ZINC001204351192 812617409 /nfs/dbraw/zinc/61/74/09/812617409.db2.gz OGOJHWUYIFRXMY-AULYBMBSSA-N 1 0 279.380 3.117 20 10 CGCDRO CO[C@@H]1CCC[N@H+](Cc2cc(C(C)C)ccc2O)C1 ZINC001204749970 812725274 /nfs/dbraw/zinc/72/52/74/812725274.db2.gz QJALWJSSZIXVFS-OAHLLOKOSA-N 1 0 263.381 3.126 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCO[C@@](C)(c3ccccc3)C2)c(O)c1 ZINC001204806642 812742136 /nfs/dbraw/zinc/74/21/36/812742136.db2.gz BOKQXKMJFMQYKC-LJQANCHMSA-N 1 0 297.398 3.448 20 10 CGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CCC[C@H]2C(C)(C)O)c1 ZINC001205311798 812946082 /nfs/dbraw/zinc/94/60/82/812946082.db2.gz JMWLRLZNKSBDKT-INIZCTEOSA-N 1 0 277.408 3.251 20 10 CGCDRO CC(C)c1ccc(O)c(C[N@H+]2CCC[C@@H]([C@@H](C)O)C2)c1 ZINC001205341018 812962712 /nfs/dbraw/zinc/96/27/12/812962712.db2.gz RIEXXEDTXHQLDX-UKRRQHHQSA-N 1 0 277.408 3.108 20 10 CGCDRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1c(C)cc(OC)cc1O ZINC001205489286 812991739 /nfs/dbraw/zinc/99/17/39/812991739.db2.gz NGJMHKQEIMSSGA-IAQYHMDHSA-N 1 0 263.381 3.330 20 10 CGCDRO CCCC[N@H+](Cc1ccn(CC)n1)Cc1ccccc1O ZINC001205514332 812992530 /nfs/dbraw/zinc/99/25/30/812992530.db2.gz NJCONDSTBPDVQZ-UHFFFAOYSA-N 1 0 287.407 3.411 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H]2CCc3ccccc3OC2)c(O)c1 ZINC001205517716 812994565 /nfs/dbraw/zinc/99/45/65/812994565.db2.gz VGQGWHFOOTWPQQ-MRXNPFEDSA-N 1 0 283.371 3.184 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2C[C@H](C)CC[C@H]2CN)c(O)c1 ZINC001205856293 813109628 /nfs/dbraw/zinc/10/96/28/813109628.db2.gz UMTYLAPYBZGEFI-CJNGLKHVSA-N 1 0 276.424 3.075 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2C[C@@H](C)CC[C@@H]2CN)c(O)c1 ZINC001205856299 813110297 /nfs/dbraw/zinc/11/02/97/813110297.db2.gz UMTYLAPYBZGEFI-XJKSGUPXSA-N 1 0 276.424 3.075 20 10 CGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CCCCC[C@H]2CO)c1 ZINC001206514214 813339372 /nfs/dbraw/zinc/33/93/72/813339372.db2.gz NMAOEFBNBDTUHS-INIZCTEOSA-N 1 0 277.408 3.253 20 10 CGCDRO COc1cc(C)ccc1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001206783250 813436308 /nfs/dbraw/zinc/43/63/08/813436308.db2.gz YQDIPGFBQCQIOM-UHFFFAOYSA-N 1 0 283.371 3.268 20 10 CGCDRO COc1ccc(CCC[N@@H+]2CCc3cccc(O)c3C2)cc1 ZINC001207584393 813600508 /nfs/dbraw/zinc/60/05/08/813600508.db2.gz CJSVSFXUHCGTMR-UHFFFAOYSA-N 1 0 297.398 3.392 20 10 CGCDRO COC[C@H](C[NH2+]Cc1ccc(Cl)cc1O)C(C)C ZINC001207658818 813629445 /nfs/dbraw/zinc/62/94/45/813629445.db2.gz WVOWMQRIXAAPRG-LBPRGKRZSA-N 1 0 271.788 3.054 20 10 CGCDRO CC(C)(C)c1ccc(O)c(CN2CC[C@]23CCC[NH2+]C3)c1 ZINC001222198009 816373181 /nfs/dbraw/zinc/37/31/81/816373181.db2.gz SBNPOMQVSIVPOQ-SFHVURJKSA-N 1 0 288.435 3.018 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2c(O)ccc3ccccc32)CCC1=O ZINC001231587009 818128888 /nfs/dbraw/zinc/12/88/88/818128888.db2.gz PJEJDIJVTNWCOJ-CYBMUJFWSA-N 1 0 283.371 3.346 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2c(O)ccc3ccccc32)CC[C@@]1(C)O ZINC001231586698 818130341 /nfs/dbraw/zinc/13/03/41/818130341.db2.gz LACNTBVLZSMNJU-FZKQIMNGSA-N 1 0 285.387 3.138 20 10 CGCDRO COCC[C@H]1CCCC[N@@H+]1Cc1cccc(C)c1O ZINC001231593239 818131213 /nfs/dbraw/zinc/13/12/13/818131213.db2.gz RSEQUQJGXWPVOP-OAHLLOKOSA-N 1 0 263.381 3.092 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCC[C@@H](C(F)F)C2)c1O ZINC001231592330 818132430 /nfs/dbraw/zinc/13/24/30/818132430.db2.gz KHRUSXRBTNXNGY-GFCCVEGCSA-N 1 0 255.308 3.178 20 10 CGCDRO COCC[C@H]1CCCC[N@@H+]1Cc1c(C)cc(C)cc1O ZINC001231844129 818186231 /nfs/dbraw/zinc/18/62/31/818186231.db2.gz HCMCGEJPRSPOEJ-OAHLLOKOSA-N 1 0 277.408 3.400 20 10 CGCDRO Cc1cc(C)c(C[N@@H+]2CC[C@H](c3ccccn3)C2)c(O)c1 ZINC001231845721 818187697 /nfs/dbraw/zinc/18/76/97/818187697.db2.gz REFOBWOCTBKCEW-HNNXBMFYSA-N 1 0 282.387 3.394 20 10 CGCDRO CC[N@H+](CCn1cccn1)Cc1cc(Cl)c(C)cc1O ZINC001231870004 818194258 /nfs/dbraw/zinc/19/42/58/818194258.db2.gz FOLIUZBZSVJFFG-UHFFFAOYSA-N 1 0 293.798 3.073 20 10 CGCDRO C[N@H+](Cc1ccc2ccccc2c1O)C1CCOCC1 ZINC001231878297 818197102 /nfs/dbraw/zinc/19/71/02/818197102.db2.gz HIYKMUTWOMJMNN-UHFFFAOYSA-N 1 0 271.360 3.156 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2ccc3ccccc3c2O)[C@@H](C)CO1 ZINC001231883241 818202728 /nfs/dbraw/zinc/20/27/28/818202728.db2.gz MXZAJESWTHIBLM-QWHCGFSZSA-N 1 0 271.360 3.155 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CCCC[C@@H]2C)cc1Cl ZINC001232266815 818298015 /nfs/dbraw/zinc/29/80/15/818298015.db2.gz ZJSOYJMVAZZHTI-JTQLQIEISA-N 1 0 269.772 3.429 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)Cc2cccc(CF)n2)cc1 ZINC001232538140 818380755 /nfs/dbraw/zinc/38/07/55/818380755.db2.gz MVUVAJWQHWQXJM-UHFFFAOYSA-N 1 0 287.382 3.249 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)CC2CCCC2)c(O)c1 ZINC001232839334 818453191 /nfs/dbraw/zinc/45/31/91/818453191.db2.gz GQQJINQLDXZQCI-UHFFFAOYSA-N 1 0 262.397 3.080 20 10 CGCDRO CN(C)c1ccc(C[NH+]2CCC3(CCC3)CC2)c(O)c1 ZINC001232836809 818453251 /nfs/dbraw/zinc/45/32/51/818453251.db2.gz UGXQKFRBCQIITR-UHFFFAOYSA-N 1 0 274.408 3.224 20 10 CGCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CC[C@]3(CCCO3)C2)c1 ZINC001233284299 818567573 /nfs/dbraw/zinc/56/75/73/818567573.db2.gz PNZWOEVQVBXVEP-GOSISDBHSA-N 1 0 289.419 3.445 20 10 CGCDRO C[C@H]1CCC[N@H+](Cc2cc(C(C)(C)C)ccc2O)[C@@H]1CO ZINC001233284552 818567651 /nfs/dbraw/zinc/56/76/51/818567651.db2.gz ZCUUTHVQMFSKFJ-XJKSGUPXSA-N 1 0 291.435 3.283 20 10 CGCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@](C)(CF)C2)c1O ZINC001233287761 818569605 /nfs/dbraw/zinc/56/96/05/818569605.db2.gz GUJBAOYQDQFBKO-AWEZNQCLSA-N 1 0 287.762 3.236 20 10 CGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](F)CC2)c1O ZINC001233287895 818570838 /nfs/dbraw/zinc/57/08/38/818570838.db2.gz LTNFWAVMDOVART-GFCCVEGCSA-N 1 0 287.762 3.378 20 10 CGCDRO C[C@H]1C[NH+](Cc2ccc(C(F)(F)F)cc2O)C[C@H](C)O1 ZINC001233451349 818623932 /nfs/dbraw/zinc/62/39/32/818623932.db2.gz HHRKKADTWCRDAE-UWVGGRQHSA-N 1 0 289.297 3.020 20 10 CGCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@H]2c2cccs2)cc1O ZINC001233485159 818625571 /nfs/dbraw/zinc/62/55/71/818625571.db2.gz LCERNQJYWQUURM-NSHDSACASA-N 1 0 291.372 3.202 20 10 CGCDRO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1cccc(-c2ccccc2)c1O ZINC001234992987 818969954 /nfs/dbraw/zinc/96/99/54/818969954.db2.gz UMMXZUSHAADCFK-CJNGLKHVSA-N 1 0 283.371 3.014 20 10 CGCDRO CC(C)[C@@H]1CN(Cc2cccc(C(C)(C)C)c2O)CC[NH2+]1 ZINC001235472594 819108215 /nfs/dbraw/zinc/10/82/15/819108215.db2.gz QJTVEMQOIGKLSP-INIZCTEOSA-N 1 0 290.451 3.120 20 10 CGCDRO CC(C)(C)c1ccc(C[N@@H+]2CCOCC23CC3)c(O)c1 ZINC001235677858 819138588 /nfs/dbraw/zinc/13/85/88/819138588.db2.gz HUYKMWZJIPIVLH-UHFFFAOYSA-N 1 0 275.392 3.055 20 10 CGCDRO CC(C)(C)c1ccc(C[N@@H+]2CCCC3(COC3)C2)c(O)c1 ZINC001235682141 819140599 /nfs/dbraw/zinc/14/05/99/819140599.db2.gz NWJZDKIAFVEPLG-UHFFFAOYSA-N 1 0 289.419 3.302 20 10 CGCDRO C[C@@H]1CC[C@@H]([NH3+])CN1Cc1c(O)ccc(Cl)c1Cl ZINC001235891852 819200243 /nfs/dbraw/zinc/20/02/43/819200243.db2.gz JTKAJAOXVYHJPU-RKDXNWHRSA-N 1 0 289.206 3.011 20 10 CGCDRO Cc1cc(CN2C[C@H](C)C[C@H]([NH3+])C2)c(C)n1-c1ccccc1 ZINC001236047518 819285175 /nfs/dbraw/zinc/28/51/75/819285175.db2.gz MBHHZIPVBRPWKG-KDOFPFPSSA-N 1 0 297.446 3.263 20 10 CGCDRO CCc1ccc(C[N@@H+]2CCc3cc(N)ccc3C2)c(O)c1 ZINC001236105088 819321362 /nfs/dbraw/zinc/32/13/62/819321362.db2.gz FUGYKFHZYKWNJC-UHFFFAOYSA-N 1 0 282.387 3.095 20 10 CGCDRO C[C@H]1[C@@H]([NH3+])CCCN1Cc1cc(C(C)(C)C)ccc1O ZINC001236415967 819462060 /nfs/dbraw/zinc/46/20/60/819462060.db2.gz BACHBKXXMRDGKV-WFASDCNBSA-N 1 0 276.424 3.001 20 10 CGCDRO CCc1ccc(C[NH+]2CCC3(CCCOC3)CC2)c(O)c1 ZINC001236791737 819595208 /nfs/dbraw/zinc/59/52/08/819595208.db2.gz JEPOAUUSSJJWPN-UHFFFAOYSA-N 1 0 289.419 3.347 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CC[C@@H](C)C[C@@H]2C)c(O)c1 ZINC001236810214 819603716 /nfs/dbraw/zinc/60/37/16/819603716.db2.gz DHQNYKFKLBVZJJ-YPMHNXCESA-N 1 0 263.381 3.330 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CCC[C@@H]2C(C)(C)OC)c(O)c1 ZINC001236810435 819604358 /nfs/dbraw/zinc/60/43/58/819604358.db2.gz GWPWLMIXBDRPHE-MRXNPFEDSA-N 1 0 293.407 3.099 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2cc3ccccc3cc2O)CCCC1=O ZINC001236826854 819610623 /nfs/dbraw/zinc/61/06/23/819610623.db2.gz OONMXNZRTWOWCI-CYBMUJFWSA-N 1 0 283.371 3.346 20 10 CGCDRO Cc1ncc(C[N@@H+](C)Cc2cc3ccccc3cc2O)cn1 ZINC001236837118 819617234 /nfs/dbraw/zinc/61/72/34/819617234.db2.gz OKPHXTPHNLZBSO-UHFFFAOYSA-N 1 0 293.370 3.276 20 10 CGCDRO Oc1cc2ccccc2cc1C[N@@H+]1CCN2CCCC[C@H]2C1 ZINC001236842520 819618670 /nfs/dbraw/zinc/61/86/70/819618670.db2.gz WROZGDFXBWMQQO-SFHVURJKSA-N 1 0 296.414 3.216 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2CCc3ncccc3C2)c(O)c1 ZINC001237053880 819655495 /nfs/dbraw/zinc/65/54/95/819655495.db2.gz PNWWTIUJFOXWHX-UHFFFAOYSA-N 1 0 282.387 3.469 20 10 CGCDRO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C(F)(F)F)ccc1O ZINC001237136701 819675263 /nfs/dbraw/zinc/67/52/63/819675263.db2.gz UFDKAKHJKKEROO-TXEJJXNPSA-N 1 0 299.292 3.107 20 10 CGCDRO Cc1ccc(C)c(CN(C2CCC2)[C@@H]2CCC[NH2+]C2)c1O ZINC001237157035 819683411 /nfs/dbraw/zinc/68/34/11/819683411.db2.gz YEHADGQAHVOFPZ-MRXNPFEDSA-N 1 0 288.435 3.116 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@](C)(F)CC1 ZINC001237484564 819762706 /nfs/dbraw/zinc/76/27/06/819762706.db2.gz FYDRHKSBPCLSNH-OAHLLOKOSA-N 1 0 251.345 3.415 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCCC[C@H]1CN1CCCC1 ZINC001237490605 819763651 /nfs/dbraw/zinc/76/36/51/819763651.db2.gz XJYFWBCOLLQFBZ-INIZCTEOSA-N 1 0 288.435 3.151 20 10 CGCDRO Cc1cc(Cl)cc(C[N@H+]2C[C@@H](F)C[C@H]2C)c1O ZINC001237680667 819805108 /nfs/dbraw/zinc/80/51/08/819805108.db2.gz GRNUSKVXPODFKL-SKDRFNHKSA-N 1 0 257.736 3.286 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@]3(C2)CCCCO3)c1O ZINC001237682184 819806520 /nfs/dbraw/zinc/80/65/20/819806520.db2.gz ZUNWHCCESOVIQU-INIZCTEOSA-N 1 0 295.810 3.499 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)Cc2cccc3c2OCC3)cc1 ZINC001237752749 819837671 /nfs/dbraw/zinc/83/76/71/819837671.db2.gz ITFLRIMSRFDPHO-UHFFFAOYSA-N 1 0 296.414 3.320 20 10 CGCDRO CC[N@H+](Cc1cccnc1)Cc1cc(F)cc(C)c1O ZINC001238061228 819920274 /nfs/dbraw/zinc/92/02/74/819920274.db2.gz FJTPYVFBNNHSGH-UHFFFAOYSA-N 1 0 274.339 3.257 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(C=C2CC[NH2+]CC2)cn1 ZINC001240877568 821387364 /nfs/dbraw/zinc/38/73/64/821387364.db2.gz BVMPGGOHRNGSFV-UHFFFAOYSA-N 1 0 267.376 3.256 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)cn1 ZINC001242024163 822287320 /nfs/dbraw/zinc/28/73/20/822287320.db2.gz QJGQUDADQPMVFL-SJORKVTESA-N 1 0 279.387 3.397 20 10 CGCDRO C[C@@H]1COCC[C@H]1C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001345413911 936810977 /nfs/dbraw/zinc/81/09/77/936810977.db2.gz WZVVBYGIOHYBBM-WBVHZDCISA-N 1 0 288.435 3.049 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]Cc1cc(N)ccn1 ZINC001350955166 937003979 /nfs/dbraw/zinc/00/39/79/937003979.db2.gz GXVREAVQCYMDSF-BXUZGUMPSA-N 1 0 283.375 3.016 20 10 CGCDRO Nc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(O)cc2)cc1 ZINC001352789544 937049365 /nfs/dbraw/zinc/04/93/65/937049365.db2.gz KKDDYALLGFICAU-KRWDZBQOSA-N 1 0 268.360 3.312 20 10 CGCDRO Cc1cccnc1CC[NH2+]Cc1cc(Cl)ccc1O ZINC000404731175 926810700 /nfs/dbraw/zinc/81/07/00/926810700.db2.gz RCEJWAXGMUHGCV-UHFFFAOYSA-N 1 0 276.767 3.081 20 10 CGCDRO COc1ccc(C[NH2+]C[C@@H]2CCC[C@@H](C)C2)c(O)c1OC ZINC001355240169 937131807 /nfs/dbraw/zinc/13/18/07/937131807.db2.gz YTDOXWQTCYWIES-CHWSQXEVSA-N 1 0 293.407 3.325 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC001474393367 937205408 /nfs/dbraw/zinc/20/54/08/937205408.db2.gz OWLSWPOPJBNKGB-WBMJQRKESA-N 1 0 264.388 3.241 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)[C@H]2CC2(C)C)c1 ZINC000397595513 928803990 /nfs/dbraw/zinc/80/39/90/928803990.db2.gz DILMRYXWBOKRPJ-COPLHBTASA-N 1 0 263.381 3.486 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)CC2(CCCC2)O1 ZINC001460346255 937528135 /nfs/dbraw/zinc/52/81/35/937528135.db2.gz WDBRGYGOJWULKM-OAHLLOKOSA-N 1 0 288.435 3.286 20 10 CGCDRO Cc1ccc(C)c(C[NH+]2CCC3(CCOC3)CC2)c1O ZINC001140178529 931956948 /nfs/dbraw/zinc/95/69/48/931956948.db2.gz NPVKPMMXMORTRA-UHFFFAOYSA-N 1 0 275.392 3.012 20 10 CGCDRO COCC[C@@H](C)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000840838104 931968639 /nfs/dbraw/zinc/96/86/39/931968639.db2.gz POQZZCUUBONMNA-KGLIPLIRSA-N 1 0 264.413 3.076 20 10 CGCDRO CCN(CCC[NH+](C)C)Cc1c(O)cc(C)cc1Cl ZINC001462200618 937625094 /nfs/dbraw/zinc/62/50/94/937625094.db2.gz QGJSXIFRIDRIRH-UHFFFAOYSA-N 1 0 284.831 3.128 20 10 CGCDRO CC[C@H](C)[NH+]1CCN(Cc2cc(C(C)C)ccc2O)CC1 ZINC001462253113 937627432 /nfs/dbraw/zinc/62/74/32/937627432.db2.gz XRQKCRLSBVEEIP-HNNXBMFYSA-N 1 0 290.451 3.432 20 10 CGCDRO CN(C)c1ccc(/C=C/CNc2cc(N(C)C)cc[nH+]2)cc1 ZINC001308345815 933098792 /nfs/dbraw/zinc/09/87/92/933098792.db2.gz XAOMLXALSLKVGE-AATRIKPKSA-N 1 0 296.418 3.339 20 10 CGCDRO CCCCN(C)C[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1C ZINC001308798212 933179330 /nfs/dbraw/zinc/17/93/30/933179330.db2.gz VPGSXJNBVBOOIF-MRXNPFEDSA-N 1 0 291.483 3.271 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2C[C@H](C)[C@H](C)[C@H]2C)c(O)c1 ZINC001308827308 933185190 /nfs/dbraw/zinc/18/51/90/933185190.db2.gz ZCDNXLAXCYWLMW-RWMBFGLXSA-N 1 0 263.381 3.186 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2C[C@H](C)[C@@H](C)[C@H]2C)c(O)c1 ZINC001308827310 933185685 /nfs/dbraw/zinc/18/56/85/933185685.db2.gz ZCDNXLAXCYWLMW-YNEHKIRRSA-N 1 0 263.381 3.186 20 10 CGCDRO CC[C@@H](C)C[C@@H](CO)[NH2+]Cc1cc(C(C)C)ccc1O ZINC001308834049 933186758 /nfs/dbraw/zinc/18/67/58/933186758.db2.gz MTYOPPJKSAMRKR-CJNGLKHVSA-N 1 0 279.424 3.402 20 10 CGCDRO CCOc1ccc(N2CC[NH+]([C@@H]3C=CCCC3)CC2)cc1 ZINC001319848487 933944793 /nfs/dbraw/zinc/94/47/93/933944793.db2.gz YNMQDLANKZJKPU-MRXNPFEDSA-N 1 0 286.419 3.316 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H](C)CC(=O)OC(C)(C)C)cc1C ZINC001319951318 933965029 /nfs/dbraw/zinc/96/50/29/933965029.db2.gz KWYHIUAXUDPCFJ-ZDUSSCGKSA-N 1 0 293.407 3.219 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC001320411272 934044478 /nfs/dbraw/zinc/04/44/78/934044478.db2.gz LDCYTRDFDPVLBH-OSAQELSMSA-N 1 0 297.402 3.119 20 10 CGCDRO Cc1nccn1CCC[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2C ZINC001321023144 934136021 /nfs/dbraw/zinc/13/60/21/934136021.db2.gz KLOTVBJOKVTLIA-ZFWWWQNUSA-N 1 0 299.418 3.434 20 10 CGCDRO CC[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)[C@@H]1C ZINC001473403261 937805678 /nfs/dbraw/zinc/80/56/78/937805678.db2.gz TUCYKGKLTLRFMB-WBVHZDCISA-N 1 0 288.435 3.144 20 10 CGCDRO CC[C@H]([NH2+]CC[C@@H](C)[NH2+]C)c1cccc(Cl)c1[O-] ZINC001325755800 934927082 /nfs/dbraw/zinc/92/70/82/934927082.db2.gz HXIDPGOBWBBGKL-MFKMUULPSA-N 1 0 270.804 3.084 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@H]2C[C@@H]3[C@H](C2)C3(F)F)c1O ZINC001327228949 935046842 /nfs/dbraw/zinc/04/68/42/935046842.db2.gz YZROSXASGPFZSE-XPXLGCRWSA-N 1 0 283.318 3.095 20 10 CGCDRO CN(C)c1ccc(C[NH2+]Cc2cccn2C2CC2)cc1F ZINC001327946763 935101180 /nfs/dbraw/zinc/10/11/80/935101180.db2.gz SNSKHFBZUVOIME-UHFFFAOYSA-N 1 0 287.382 3.318 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H](C)c1ccnn1C ZINC001329308198 935203441 /nfs/dbraw/zinc/20/34/41/935203441.db2.gz ZJVPXAHTEXFHRX-AGIUHOORSA-N 1 0 285.391 3.333 20 10 CGCDRO Cc1nccnc1C[N@@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC001330657981 935308352 /nfs/dbraw/zinc/30/83/52/935308352.db2.gz ROJJLBFHURREGK-UHFFFAOYSA-N 1 0 298.434 3.262 20 10 CGCDRO OC[C@H]1CCCCC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001331963807 935427207 /nfs/dbraw/zinc/42/72/07/935427207.db2.gz IHMPFGBSOOMLOS-GOSISDBHSA-N 1 0 288.435 3.024 20 10 CGCDRO Nc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC001336285248 936186290 /nfs/dbraw/zinc/18/62/90/936186290.db2.gz KGQPSHSKDAVVGC-MRXNPFEDSA-N 1 0 296.370 3.335 20 10 CGCDRO CC(C)C[C@@H](CCO)C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC001474021062 937835737 /nfs/dbraw/zinc/83/57/37/937835737.db2.gz JQEHMVZQFIZOPW-OAHLLOKOSA-N 1 0 296.430 3.026 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CCC[C@H]2CCCCO2)cc1F ZINC001474106086 937840432 /nfs/dbraw/zinc/84/04/32/937840432.db2.gz IKTZZEUBKOVNQA-OAHLLOKOSA-N 1 0 294.414 3.331 20 10 CGCDRO F[C@]1(c2ccccc2)C[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC001474186526 937843339 /nfs/dbraw/zinc/84/33/39/937843339.db2.gz IEZJUEQTBMHJGV-MSOLQXFVSA-N 1 0 283.346 3.348 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C(C)(C)[C@H]2CCCCO2)cc1F ZINC001474241695 937845552 /nfs/dbraw/zinc/84/55/52/937845552.db2.gz UAGPIDMSNHQHKZ-MRXNPFEDSA-N 1 0 294.414 3.329 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC001474490910 937862799 /nfs/dbraw/zinc/86/27/99/937862799.db2.gz OFVBRIMHIKYUJV-KRWDZBQOSA-N 1 0 290.451 3.308 20 10 CGCDRO COC1CC(C[NH2+][C@@H](C)Cc2ccc(N(C)C)cc2C)C1 ZINC001474585352 937868839 /nfs/dbraw/zinc/86/88/39/937868839.db2.gz QPUCHGDTHKNKBT-SYJJWHGVSA-N 1 0 290.451 3.007 20 10 CGCDRO CCOC(=O)CC(C)(C)CN(C)c1ccc(OC)cc1 ZINC001474613708 937870665 /nfs/dbraw/zinc/87/06/65/937870665.db2.gz IRCFTQUURRFKHT-UHFFFAOYSA-N 1 0 279.380 3.111 20 10 CGCDRO C[C@H]1CCC[C@H]1[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001560323125 938253170 /nfs/dbraw/zinc/25/31/70/938253170.db2.gz GYGPEHGVHZDWNB-IINYFYTJSA-N 1 0 268.351 3.309 20 10 CGCDRO Cc1cc(O)c(CNCCC[N@@H+](C)CC(C)C)c(Cl)c1 ZINC001560523550 938261510 /nfs/dbraw/zinc/26/15/10/938261510.db2.gz JEEJTQFLAWUVLK-UHFFFAOYSA-N 1 0 298.858 3.422 20 10 CGCDRO [O-]c1cc(F)c(F)cc1C[N@@H+]1CC[C@@H]1Cc1ccccc1 ZINC001560664221 938268786 /nfs/dbraw/zinc/26/87/86/938268786.db2.gz JBDCQOTZWJPEHM-CQSZACIVSA-N 1 0 289.325 3.487 20 10 CGCDRO COc1cc(O)c(C[NH2+]C/C=C\c2ccccc2)cc1OC ZINC001560709084 938271544 /nfs/dbraw/zinc/27/15/44/938271544.db2.gz ZSJRURWEFXAJLR-TWGQIWQCSA-N 1 0 299.370 3.212 20 10 CGCDRO CCC[NH+]1CCN(Cc2cc(C(C)C)ccc2O)CC1 ZINC001560724626 938272454 /nfs/dbraw/zinc/27/24/54/938272454.db2.gz PRPNTRXOIDLITE-UHFFFAOYSA-N 1 0 276.424 3.043 20 10 CGCDRO CC[C@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2O)[C@H]1C ZINC001560772352 938275177 /nfs/dbraw/zinc/27/51/77/938275177.db2.gz VSWJGAJGXZISEA-RYUDHWBXSA-N 1 0 279.380 3.030 20 10 CGCDRO CN1CC[N@H+](Cc2ccc3ccccc3c2O)CCC1(C)C ZINC001560953667 938286104 /nfs/dbraw/zinc/28/61/04/938286104.db2.gz TWGHZJIDUAKBKA-UHFFFAOYSA-N 1 0 298.430 3.462 20 10 CGCDRO COC(C)(C)[C@H](C)[NH2+]Cc1cc(C(C)C)ccc1O ZINC001561016569 938289537 /nfs/dbraw/zinc/28/95/37/938289537.db2.gz BRBXLQZNWVTLML-LBPRGKRZSA-N 1 0 265.397 3.419 20 10 CGCDRO C[C@H]([NH2+]Cc1ccnn1-c1ccccc1)c1ccccc1O ZINC001461727765 960502243 /nfs/dbraw/zinc/50/22/43/960502243.db2.gz FTGVUTUJIJSOHO-AWEZNQCLSA-N 1 0 293.370 3.429 20 10 CGCDRO CC(C)(C[NH2+]Cc1ccc(N)cc1)c1ccc2c(c1)OCO2 ZINC001575334766 962362024 /nfs/dbraw/zinc/36/20/24/962362024.db2.gz RXEDAZHHRDFUKW-UHFFFAOYSA-N 1 0 298.386 3.065 20 10 CGCDRO Nc1ccc(C[NH2+]CCC2Cc3ccccc3C2)cc1 ZINC001580445532 962722977 /nfs/dbraw/zinc/72/29/77/962722977.db2.gz IMTUXHVJEHUUJY-UHFFFAOYSA-N 1 0 266.388 3.164 20 10 CGCDRO Nc1ccc(C[N@@H+]2CCCN(c3ccccc3F)CC2)cc1 ZINC001580443539 962723550 /nfs/dbraw/zinc/72/35/50/962723550.db2.gz OIRJMIPOOFLVKB-UHFFFAOYSA-N 1 0 299.393 3.120 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000179950802 346254271 /nfs/dbraw/zinc/25/42/71/346254271.db2.gz HKIYRJNYSCAPPV-GFCCVEGCSA-N 1 0 273.298 3.475 20 10 CGCDRO COCCC(C)(C)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000183936325 346257406 /nfs/dbraw/zinc/25/74/06/346257406.db2.gz UYKWQLNWNHOKIA-AWEZNQCLSA-N 1 0 278.440 3.466 20 10 CGCDRO CC(C)[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000126961559 370947508 /nfs/dbraw/zinc/94/75/08/370947508.db2.gz YLSPEEJBZWWSIJ-AWEZNQCLSA-N 1 0 282.815 3.008 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](OCC(C)C)C2)c1 ZINC000091964635 370082966 /nfs/dbraw/zinc/08/29/66/370082966.db2.gz PUJUAKRVHFCFKZ-MRXNPFEDSA-N 1 0 293.407 3.038 20 10 CGCDRO COc1cccc(C[NH2+]C(C)(C)c2nc(C)cs2)c1O ZINC000116382243 370559756 /nfs/dbraw/zinc/55/97/56/370559756.db2.gz DVHLLQZBOXSGHL-UHFFFAOYSA-N 1 0 292.404 3.191 20 10 CGCDRO CC1([NH2+]Cc2ccc(N3CCCCC3)cc2)CCOCC1 ZINC000131113710 371084485 /nfs/dbraw/zinc/08/44/85/371084485.db2.gz BMQZOVDBTQYCPZ-UHFFFAOYSA-N 1 0 288.435 3.336 20 10 CGCDRO C[C@@H]1Oc2ccccc2[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000288609935 371740927 /nfs/dbraw/zinc/74/09/27/371740927.db2.gz QLXKXMWILAIRMT-SGTLLEGYSA-N 1 0 281.355 3.233 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]C[C@H]2CCCSC2)c1 ZINC000288443558 371738057 /nfs/dbraw/zinc/73/80/57/371738057.db2.gz MDLBRYGTUVSKGG-GFCCVEGCSA-N 1 0 281.421 3.024 20 10 CGCDRO CO[C@@H](C[NH2+][C@H](C)c1cc(Cl)ccc1O)C1CC1 ZINC000293567908 372413395 /nfs/dbraw/zinc/41/33/95/372413395.db2.gz BBASRKJNJBJFFP-OTYXRUKQSA-N 1 0 269.772 3.121 20 10 CGCDRO COC[C@H]1CC[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000293729719 372465023 /nfs/dbraw/zinc/46/50/23/372465023.db2.gz UTMJVCANYVLNPA-QGZVFWFLSA-N 1 0 283.371 3.280 20 10 CGCDRO Oc1cccc(Cl)c1CN1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000293842480 372499409 /nfs/dbraw/zinc/49/94/09/372499409.db2.gz BCUGFOAVVSTGFN-HOTGVXAUSA-N 1 0 293.794 3.189 20 10 CGCDRO COCC(C)(C)C[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000293851737 372501249 /nfs/dbraw/zinc/50/12/49/372501249.db2.gz XINATQHCUFDIMJ-ZDUSSCGKSA-N 1 0 265.397 3.332 20 10 CGCDRO CC(C)[C@@H](O)C[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000168777082 372619145 /nfs/dbraw/zinc/61/91/45/372619145.db2.gz XOTFUBSYEUTPHB-WBMJQRKESA-N 1 0 273.376 3.213 20 10 CGCDRO CC(C)[C@H](O)C[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000168776998 372619333 /nfs/dbraw/zinc/61/93/33/372619333.db2.gz XOTFUBSYEUTPHB-MLGOLLRUSA-N 1 0 273.376 3.213 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CSCCS2)c(O)c1 ZINC000168819852 372621612 /nfs/dbraw/zinc/62/16/12/372621612.db2.gz LCARNPLESUOYBE-VXGBXAGGSA-N 1 0 283.462 3.200 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1CSCCS1)c1cc(F)ccc1O ZINC000168820319 372621672 /nfs/dbraw/zinc/62/16/72/372621672.db2.gz IPBQKVKLBGKYBP-MWLCHTKSSA-N 1 0 287.425 3.031 20 10 CGCDRO COc1ccncc1C[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000294262702 372631514 /nfs/dbraw/zinc/63/15/14/372631514.db2.gz LMMNVJPTFSLBGN-ZDUSSCGKSA-N 1 0 286.375 3.263 20 10 CGCDRO CC[C@@H]([NH2+][C@H](C)c1cc(Cl)ccc1O)C(C)(C)O ZINC000294929053 372679978 /nfs/dbraw/zinc/67/99/78/372679978.db2.gz HHZXSBLQHZNNHI-NOZJJQNGSA-N 1 0 271.788 3.246 20 10 CGCDRO Cc1cc(O)c(C[NH+]2CCC(CF)CC2)cc1C ZINC000295000325 372685664 /nfs/dbraw/zinc/68/56/64/372685664.db2.gz ILLDEDRFSVGHBJ-UHFFFAOYSA-N 1 0 251.345 3.191 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CCCCC2(F)F)c1 ZINC000295067069 372689691 /nfs/dbraw/zinc/68/96/91/372689691.db2.gz GZPJANBFNSYKOD-LBPRGKRZSA-N 1 0 285.334 3.316 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H](C)CCCO)c1cccc(Cl)c1[O-] ZINC000296331579 373093820 /nfs/dbraw/zinc/09/38/20/373093820.db2.gz HJEQIFPOFVDIML-SMDDNHRTSA-N 1 0 285.815 3.495 20 10 CGCDRO COc1ccc(F)cc1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296387311 373116073 /nfs/dbraw/zinc/11/60/73/373116073.db2.gz JOEYKLVFWRGQRO-AWEZNQCLSA-N 1 0 287.334 3.317 20 10 CGCDRO CC(C)[C@@H](O)C(C)(C)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296796765 373248178 /nfs/dbraw/zinc/24/81/78/373248178.db2.gz LIAZFPJCZVIRSF-CZUORRHYSA-N 1 0 277.408 3.012 20 10 CGCDRO Cc1nc(CC[NH2+][C@H]2CCc3cccc(O)c32)sc1C ZINC000297128992 373257042 /nfs/dbraw/zinc/25/70/42/373257042.db2.gz YVLDRBWDSODAND-ZDUSSCGKSA-N 1 0 288.416 3.285 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CC[C@@H](C)CCO)cc1 ZINC000297195886 373260584 /nfs/dbraw/zinc/26/05/84/373260584.db2.gz FSRUXOXWVDPNBO-CABCVRRESA-N 1 0 278.440 3.202 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CC[C@H](C)CCO)c(O)c1C ZINC000297325137 373265346 /nfs/dbraw/zinc/26/53/46/373265346.db2.gz NPLKHTBVSIMQNF-SMDDNHRTSA-N 1 0 265.397 3.068 20 10 CGCDRO Cc1cccc(C[N@H+](C)Cc2ccc3c(c2)OCO3)c1O ZINC000179604926 373893053 /nfs/dbraw/zinc/89/30/53/373893053.db2.gz OEJAHVFZNLIURK-UHFFFAOYSA-N 1 0 285.343 3.061 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCO[C@@H](c3ccsc3)C2)c1O ZINC000180545178 374020112 /nfs/dbraw/zinc/02/01/12/374020112.db2.gz FZPWYDFYKOLTAT-OAHLLOKOSA-N 1 0 289.400 3.336 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+]C2(C)CCOCC2)c1O ZINC000182654407 374305858 /nfs/dbraw/zinc/30/58/58/374305858.db2.gz BTRWYOHDNBIMHL-UHFFFAOYSA-N 1 0 269.772 3.013 20 10 CGCDRO CC[C@@H]([NH2+]CCc1c(C)noc1C)c1ccccc1O ZINC000183321204 374400837 /nfs/dbraw/zinc/40/08/37/374400837.db2.gz IIKIOENLEPYJON-OAHLLOKOSA-N 1 0 274.364 3.280 20 10 CGCDRO C[C@H]([NH2+]CCSC(F)(F)F)c1ccccc1O ZINC000183433973 374414521 /nfs/dbraw/zinc/41/45/21/374414521.db2.gz TVEDIOHMHNGNFM-QMMMGPOBSA-N 1 0 265.300 3.296 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+](C)[C@H](C)c2ccccn2)c1 ZINC000183677163 374440968 /nfs/dbraw/zinc/44/09/68/374440968.db2.gz PLXBDUMYNHFGRS-CYBMUJFWSA-N 1 0 256.349 3.289 20 10 CGCDRO CCOc1cccc(C[N@H+](C)[C@H](C)c2cccnc2)c1O ZINC000183724767 374446395 /nfs/dbraw/zinc/44/63/95/374446395.db2.gz WEGLDAHCKRTIMW-CYBMUJFWSA-N 1 0 286.375 3.379 20 10 CGCDRO COc1cccc(C[NH2+]C2(Cc3ccccc3)CC2)c1O ZINC000187492295 375030849 /nfs/dbraw/zinc/03/08/49/375030849.db2.gz FAJNUTJERPHFNT-UHFFFAOYSA-N 1 0 283.371 3.266 20 10 CGCDRO CC[C@@H](CO)[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000188673232 375252285 /nfs/dbraw/zinc/25/22/85/375252285.db2.gz MDUCYJHNMIGOCW-ZBFHGGJFSA-N 1 0 276.424 3.098 20 10 CGCDRO CCOC1CC(CC[NH2+][C@H](C)c2ccccc2O)C1 ZINC000189259039 375350838 /nfs/dbraw/zinc/35/08/38/375350838.db2.gz AKXLAJTYVURMAK-IYXRBSQSSA-N 1 0 263.381 3.248 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)[C@H](O)c2cccc(F)c2)c1 ZINC000267236964 378034029 /nfs/dbraw/zinc/03/40/29/378034029.db2.gz WUECBOVGBOVRGG-SJCJKPOMSA-N 1 0 289.350 3.051 20 10 CGCDRO CCC[N@H+](CCCn1ccnc1C)Cc1ccccc1O ZINC000270680574 378387292 /nfs/dbraw/zinc/38/72/92/378387292.db2.gz UOAWMRIWDILHRY-UHFFFAOYSA-N 1 0 287.407 3.199 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](COC)C2)cc1F ZINC000271199746 378482407 /nfs/dbraw/zinc/48/24/07/378482407.db2.gz SSDBXWDATAKFFO-HNNXBMFYSA-N 1 0 294.414 3.140 20 10 CGCDRO C[N@H+](CCc1nccs1)Cc1c(O)cccc1Cl ZINC000271218788 378483380 /nfs/dbraw/zinc/48/33/80/378483380.db2.gz OAAQOUCIZYLHKS-UHFFFAOYSA-N 1 0 282.796 3.177 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2c[nH]nc2C)cc1 ZINC000271566515 378497601 /nfs/dbraw/zinc/49/76/01/378497601.db2.gz YOOLSGUOJXJLSV-LBPRGKRZSA-N 1 0 272.396 3.025 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCC[C@@H](C)CO)cc1 ZINC000271595009 378499347 /nfs/dbraw/zinc/49/93/47/378499347.db2.gz YUSFWYIPSZFZII-HUUCEWRRSA-N 1 0 278.440 3.202 20 10 CGCDRO CCC[N@H+](Cc1cccc(Cl)c1[O-])CC(C)(C)O ZINC000271730186 378502111 /nfs/dbraw/zinc/50/21/11/378502111.db2.gz MXGSKVZIYLAADG-UHFFFAOYSA-N 1 0 271.788 3.029 20 10 CGCDRO COCC[C@H]([NH2+]Cc1cc(F)ccc1O)c1ccc(C)o1 ZINC000272649992 378682819 /nfs/dbraw/zinc/68/28/19/378682819.db2.gz PQSPGXGBXBGPRG-AWEZNQCLSA-N 1 0 293.338 3.300 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCc2ccccn2)c(O)c1C ZINC000273434955 378745294 /nfs/dbraw/zinc/74/52/94/378745294.db2.gz WRHKXSYZIILMAG-AWEZNQCLSA-N 1 0 270.376 3.297 20 10 CGCDRO C[C@H]([NH2+]CC[C@@H]1CCO[C@H](C)C1)c1cc(F)ccc1O ZINC000273445475 378745719 /nfs/dbraw/zinc/74/57/19/378745719.db2.gz NSWIOJQARMSHBA-FRRDWIJNSA-N 1 0 281.371 3.387 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)C[C@@H](C)O)c(O)c1C ZINC000273542933 378751983 /nfs/dbraw/zinc/75/19/83/378751983.db2.gz YRTSIFDJWROPQV-TZMCWYRMSA-N 1 0 279.424 3.457 20 10 CGCDRO CCC[C@](C)(O)C[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000273561322 378752075 /nfs/dbraw/zinc/75/20/75/378752075.db2.gz IDCQNGXMTDBBEV-YGRLFVJLSA-N 1 0 271.788 3.247 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2COC3(CCCC3)O2)c(O)c1 ZINC000273531975 378752474 /nfs/dbraw/zinc/75/24/74/378752474.db2.gz WMGHFZBIEYIGBW-KBPBESRZSA-N 1 0 291.391 3.037 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2CCCC[C@H]2c2ccnn2C)cc1C ZINC000281366171 379831535 /nfs/dbraw/zinc/83/15/35/379831535.db2.gz VEEUWXKXJVRQNC-KRWDZBQOSA-N 1 0 299.418 3.470 20 10 CGCDRO CCCC[N@H+](CCCn1ccnc1)Cc1ccccc1O ZINC000282549089 379944040 /nfs/dbraw/zinc/94/40/40/379944040.db2.gz WZCGLPSVVSAFBO-UHFFFAOYSA-N 1 0 287.407 3.281 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(F)cc1[O-] ZINC000285572351 380150223 /nfs/dbraw/zinc/15/02/23/380150223.db2.gz IBGAKMCRZXUSFV-LRDDRELGSA-N 1 0 292.398 3.056 20 10 CGCDRO CC[N@H+](Cc1cc(Cl)cc(OC)c1O)C(C)C ZINC000184677644 262025932 /nfs/dbraw/zinc/02/59/32/262025932.db2.gz OBMGMDKCIKCAQY-UHFFFAOYSA-N 1 0 257.761 3.285 20 10 CGCDRO CC(C)OCCCC[NH2+]Cc1ccc(N(C)C)cc1 ZINC000228565548 262343083 /nfs/dbraw/zinc/34/30/83/262343083.db2.gz WLDHEFQZYDSABA-UHFFFAOYSA-N 1 0 264.413 3.047 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]Cc1ccc(Cl)nc1)CC2 ZINC000296019829 285397676 /nfs/dbraw/zinc/39/76/76/285397676.db2.gz PIUCLKVPDYHLKR-GFCCVEGCSA-N 1 0 274.751 3.218 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CC2(c3ccccn3)CCC2)cc1 ZINC000377415743 542592086 /nfs/dbraw/zinc/59/20/86/542592086.db2.gz ZCHPZQZASCPQKU-UHFFFAOYSA-N 1 0 295.430 3.359 20 10 CGCDRO CCN(C(=O)c1cccc2c1CC[NH2+]C2)c1cccc(C)c1 ZINC000388257298 542604188 /nfs/dbraw/zinc/60/41/88/542604188.db2.gz ANFDDNWVQLYTSB-UHFFFAOYSA-N 1 0 294.398 3.307 20 10 CGCDRO COc1cccc(C[N@@H+]2CCc3ccc(F)cc3C2)c1O ZINC000093383785 392237961 /nfs/dbraw/zinc/23/79/61/392237961.db2.gz AYKHQQTWQBILKT-UHFFFAOYSA-N 1 0 287.334 3.098 20 10 CGCDRO Cc1cccc(C[NH2+][C@H](C)c2cccc(O)c2)c1O ZINC000124807506 392437206 /nfs/dbraw/zinc/43/72/06/392437206.db2.gz CIDFUVLXNOUGMN-GFCCVEGCSA-N 1 0 257.333 3.257 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H](O)c1cccc(F)c1)c1ccccc1O ZINC000121091149 392408887 /nfs/dbraw/zinc/40/88/87/392408887.db2.gz HOCYKLIIYUJRGP-NVXWUHKLSA-N 1 0 289.350 3.306 20 10 CGCDRO Oc1ccccc1C[NH2+][C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000374498242 392679637 /nfs/dbraw/zinc/67/96/37/392679637.db2.gz UVLLGVVFCQPQIG-SJLPKXTDSA-N 1 0 283.371 3.260 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CCc2ccc(F)cc2C1 ZINC000179574796 392703811 /nfs/dbraw/zinc/70/38/11/392703811.db2.gz ORVKCGJMRAXAEI-UHFFFAOYSA-N 1 0 257.308 3.090 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000179580732 392704357 /nfs/dbraw/zinc/70/43/57/392704357.db2.gz ANSRTAGCJGKQFQ-DZGCQCFKSA-N 1 0 263.406 3.252 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CCO[C@H](c2ccsc2)C1 ZINC000179582133 392704788 /nfs/dbraw/zinc/70/47/88/392704788.db2.gz NKPWQRHDXGPYPC-HNNXBMFYSA-N 1 0 275.373 3.027 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H]2c2ccncc2)cc1 ZINC000193454516 392877555 /nfs/dbraw/zinc/87/75/55/392877555.db2.gz QISKVPSJTVDPTM-SFHVURJKSA-N 1 0 281.403 3.485 20 10 CGCDRO Cc1cc(O)c(C[NH2+]Cc2ccccc2N(C)C)cc1C ZINC000267003569 393186920 /nfs/dbraw/zinc/18/69/20/393186920.db2.gz DENPJBIVRREONK-UHFFFAOYSA-N 1 0 284.403 3.365 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCCc3cn[nH]c32)c1 ZINC000273520658 393275217 /nfs/dbraw/zinc/27/52/17/393275217.db2.gz UHPLXHZSGARYPD-RISCZKNCSA-N 1 0 271.364 3.152 20 10 CGCDRO Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1c(C)c2ccccc2n1C ZINC000359003571 393533501 /nfs/dbraw/zinc/53/35/01/393533501.db2.gz RZTGEDXFAYBUMK-CYBMUJFWSA-N 1 0 296.418 3.379 20 10 CGCDRO COc1ccc(N2CCC([NH2+]C3(C)CCC3)CC2)cc1 ZINC000360752115 393582334 /nfs/dbraw/zinc/58/23/34/393582334.db2.gz ANLBZVMGAXLCDP-UHFFFAOYSA-N 1 0 274.408 3.196 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCc3nn(C)cc32)c(O)c1 ZINC000282346674 292196831 /nfs/dbraw/zinc/19/68/31/292196831.db2.gz GVTXVBGNAUJVAK-DOMZBBRYSA-N 1 0 285.391 3.162 20 10 CGCDRO C[C@H]([NH2+]CCc1ccco1)c1ccc(N(C)C)cc1 ZINC000037258976 173069011 /nfs/dbraw/zinc/06/90/11/173069011.db2.gz CUQIJOFLXBRVCJ-ZDUSSCGKSA-N 1 0 258.365 3.239 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)Cc2ccsc2)c1 ZINC000071408374 176156611 /nfs/dbraw/zinc/15/66/11/176156611.db2.gz OQDYUBNXBAJTAT-LBPRGKRZSA-N 1 0 261.390 3.483 20 10 CGCDRO CC[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000152164610 261060711 /nfs/dbraw/zinc/06/07/11/261060711.db2.gz UQVRUJYZBHJSTE-OLZOCXBDSA-N 1 0 280.387 3.111 20 10 CGCDRO C[C@@](O)(C[NH2+]Cc1c(O)cccc1Cl)c1cccs1 ZINC000153010007 261072291 /nfs/dbraw/zinc/07/22/91/261072291.db2.gz DLBYAYVNCXKVKY-CQSZACIVSA-N 1 0 297.807 3.104 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccn(C)c1)c1ccc(N(C)C)cc1 ZINC000158519865 261166216 /nfs/dbraw/zinc/16/62/16/261166216.db2.gz DLFKFCHUOPBCNE-QGZVFWFLSA-N 1 0 271.408 3.332 20 10 CGCDRO CC[C@H]([NH2+]C1CCN(CC)CC1)c1ccc(N(C)C)cc1 ZINC000159294100 261183738 /nfs/dbraw/zinc/18/37/38/261183738.db2.gz SMJWESPSNRPQNP-SFHVURJKSA-N 1 0 289.467 3.278 20 10 CGCDRO C[C@@H]([NH2+]CC(C)(C)O)c1ccc(N2CCCCC2)c(F)c1 ZINC000160595354 261218754 /nfs/dbraw/zinc/21/87/54/261218754.db2.gz SPCDTRMYMOCTBA-CYBMUJFWSA-N 1 0 294.414 3.238 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](C)c2cnn(C)c2)cc1 ZINC000163856442 261331763 /nfs/dbraw/zinc/33/17/63/261331763.db2.gz MCOKWBHJUFNGKZ-KGLIPLIRSA-N 1 0 286.423 3.288 20 10 CGCDRO C[C@H](O)c1ccc(C[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC000183442633 261975126 /nfs/dbraw/zinc/97/51/26/261975126.db2.gz HIRGVTDEVBFTHI-STQMWFEESA-N 1 0 271.360 3.296 20 10 CGCDRO COc1cc(Cl)cc(C[N@H+](C)Cc2cccnc2)c1O ZINC000184713219 262027225 /nfs/dbraw/zinc/02/72/25/262027225.db2.gz YASXSNZUHOQZOS-UHFFFAOYSA-N 1 0 292.766 3.081 20 10 CGCDRO CC(C)C[C@@H](CO)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000185113994 262042106 /nfs/dbraw/zinc/04/21/06/262042106.db2.gz VXEZPAQMUJZVEV-JQWIXIFHSA-N 1 0 271.788 3.103 20 10 CGCDRO COCC[C@H](C)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000185290583 262049118 /nfs/dbraw/zinc/04/91/18/262049118.db2.gz DZCINCGWXJMNQY-STQMWFEESA-N 1 0 277.408 3.347 20 10 CGCDRO CCC[C@H](O)C[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000185436978 262054382 /nfs/dbraw/zinc/05/43/82/262054382.db2.gz WKIMAYFMAUBRDA-DOMZBBRYSA-N 1 0 277.408 3.083 20 10 CGCDRO C[C@@H]([NH2+]C[C@](C)(O)c1ccccc1)c1cc(F)ccc1O ZINC000185454737 262055606 /nfs/dbraw/zinc/05/56/06/262055606.db2.gz DVODQCBLLFRVMT-PXAZEXFGSA-N 1 0 289.350 3.090 20 10 CGCDRO CO[C@@H](C[NH2+][C@@H](C)c1ccc(C)cc1O)C(C)(C)C ZINC000185617806 262062461 /nfs/dbraw/zinc/06/24/61/262062461.db2.gz INCLHPYHNNGRGR-WFASDCNBSA-N 1 0 265.397 3.412 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@]2(C)CCCC[C@@H]2O)c1 ZINC000185644024 262063801 /nfs/dbraw/zinc/06/38/01/262063801.db2.gz YWJGGXOTRFUAGW-XOKHGSTOSA-N 1 0 277.408 3.292 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc(CO)c(F)c1)c1ccccc1O ZINC000186127933 262080930 /nfs/dbraw/zinc/08/09/30/262080930.db2.gz ZFQQXGOTZWPUEP-MRXNPFEDSA-N 1 0 289.350 3.265 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)c1cn(C)nc1C)c1ccccc1O ZINC000186173671 262082714 /nfs/dbraw/zinc/08/27/14/262082714.db2.gz ZHRVQMVWGJMYGT-NHYWBVRUSA-N 1 0 273.380 3.236 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](C)c1cn(C)nc1C)c1ccccc1O ZINC000186173689 262082823 /nfs/dbraw/zinc/08/28/23/262082823.db2.gz ZHRVQMVWGJMYGT-XHDPSFHLSA-N 1 0 273.380 3.236 20 10 CGCDRO CC[N@@H+](Cc1cc(Cl)cc(OC)c1O)C[C@H]1CCCO1 ZINC000184683385 262291489 /nfs/dbraw/zinc/29/14/89/262291489.db2.gz YNCUGCQXPGMHRG-CYBMUJFWSA-N 1 0 299.798 3.055 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CC[C@H]2CCCCO2)c(O)c1 ZINC000186515779 262316086 /nfs/dbraw/zinc/31/60/86/262316086.db2.gz FFGDXKCJEUTMGW-UONOGXRCSA-N 1 0 263.381 3.310 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1CC[C@H](O)C1)c1ccc2ccccc2c1O ZINC000189340051 264291388 /nfs/dbraw/zinc/29/13/88/264291388.db2.gz MDZAWIXUVZVVNW-GUTXKFCHSA-N 1 0 285.387 3.357 20 10 CGCDRO COc1cccc(C[N@@H+]2CC(C)(C)[C@H]2c2ccncc2)c1O ZINC000294094219 265007244 /nfs/dbraw/zinc/00/72/44/265007244.db2.gz ZTAFHIOSXNLIDI-QGZVFWFLSA-N 1 0 298.386 3.379 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](c3ccncn3)C2)cc1C ZINC000367475264 267092167 /nfs/dbraw/zinc/09/21/67/267092167.db2.gz VMCZROZJRJXQCE-OAHLLOKOSA-N 1 0 297.402 3.179 20 10 CGCDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1Cc1cc(Cl)ccc1O ZINC000367685381 267108757 /nfs/dbraw/zinc/10/87/57/267108757.db2.gz MEUGCSJAKOJYND-IUODEOHRSA-N 1 0 294.826 3.104 20 10 CGCDRO CC[C@H]([NH2+]CC(C)(C)N(C)C)c1ccc(C)cc1O ZINC000280110605 288036415 /nfs/dbraw/zinc/03/64/15/288036415.db2.gz NOPGEUFVZAVLPT-AWEZNQCLSA-N 1 0 264.413 3.082 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2cnccn2)cc1 ZINC000178228661 327792969 /nfs/dbraw/zinc/79/29/69/327792969.db2.gz SKESUYUOGSZLEL-AWEZNQCLSA-N 1 0 284.407 3.174 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCCOC1)c1cc2c(cc1O)CCCC2 ZINC000185386969 327839524 /nfs/dbraw/zinc/83/95/24/327839524.db2.gz FZKZUDKRKDCRMK-SWLSCSKDSA-N 1 0 275.392 3.101 20 10 CGCDRO CO[C@H](C)[C@@H](C)[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000290047169 328257690 /nfs/dbraw/zinc/25/76/90/328257690.db2.gz DWTGPLRIPKOTSY-JHJVBQTASA-N 1 0 277.408 3.345 20 10 CGCDRO CC[C@@H](C[NH2+][C@@H](C)c1cc(Cl)ccc1O)OC ZINC000290049181 328257758 /nfs/dbraw/zinc/25/77/58/328257758.db2.gz DYVFPRINMWVZSY-ONGXEEELSA-N 1 0 257.761 3.121 20 10 CGCDRO COCc1ccc(C[N@H+](C)Cc2ccccc2O)cc1 ZINC000091956719 327188161 /nfs/dbraw/zinc/18/81/61/327188161.db2.gz FYYSJLFWEFOTPM-UHFFFAOYSA-N 1 0 271.360 3.171 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)CCOC)c1ccc(N(C)C)cc1 ZINC000152735118 327564702 /nfs/dbraw/zinc/56/47/02/327564702.db2.gz XYTVFOXIXBAUQG-CJNGLKHVSA-N 1 0 264.413 3.218 20 10 CGCDRO Oc1ccccc1C[N@H+]1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000378494314 329052937 /nfs/dbraw/zinc/05/29/37/329052937.db2.gz KQNYFVRCJJMXFZ-MJGOQNOKSA-N 1 0 297.398 3.480 20 10 CGCDRO C[C@H]1C[C@H](c2cccnc2)[N@H+](Cc2ccccc2O)C1 ZINC000185230306 329269161 /nfs/dbraw/zinc/26/91/61/329269161.db2.gz ASYWHVBXOWNPBB-XJKSGUPXSA-N 1 0 268.360 3.370 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCN(C)[C@H]1c1ccccc1)c1ccccc1O ZINC000248394897 329890916 /nfs/dbraw/zinc/89/09/16/329890916.db2.gz YKQYQMHZTVCXFO-YJLNNSPDSA-N 1 0 296.414 3.488 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]C[C@@]2(C)COc3ccccc3O2)c1 ZINC000527736429 330278847 /nfs/dbraw/zinc/27/88/47/330278847.db2.gz QHDDIBTXLKIZHE-SFHVURJKSA-N 1 0 299.370 3.020 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](C)c2ncccc2F)c1 ZINC000527825853 330286752 /nfs/dbraw/zinc/28/67/52/330286752.db2.gz DSCOTSRBBVRPFW-NSHDSACASA-N 1 0 290.338 3.176 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1CCN1C1CCCCC1)c1ccccc1O ZINC000527953400 330294546 /nfs/dbraw/zinc/29/45/46/330294546.db2.gz XOOYDJIDKLKPKN-HOCLYGCPSA-N 1 0 288.435 3.450 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CC[C@H]2CCCOC2)c(O)c1 ZINC000527924166 330296163 /nfs/dbraw/zinc/29/61/63/330296163.db2.gz HIQRPZCKVKVNPM-HUUCEWRRSA-N 1 0 277.408 3.476 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1ccc(N(C)C)cc1 ZINC000090454741 330392688 /nfs/dbraw/zinc/39/26/88/330392688.db2.gz CYMOMGIPWYTGNP-NVXWUHKLSA-N 1 0 298.434 3.074 20 10 CGCDRO CC[C@@H](N[C@@H]1CC[NH2+]C12CCC2)c1ccc(C)cc1O ZINC000530214145 333528275 /nfs/dbraw/zinc/52/82/75/333528275.db2.gz BHMPCOXLPOFAMJ-GDBMZVCRSA-N 1 0 274.408 3.026 20 10 CGCDRO C[C@@H]([NH2+]CC1CC1)c1ccc(Br)cc1O ZINC000134912325 334108201 /nfs/dbraw/zinc/10/82/01/334108201.db2.gz WWDRUYRBNQUYQZ-MRVPVSSYSA-N 1 0 270.170 3.215 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)[C@H]1CCCCO1)c1ccccc1O ZINC000274812034 334784196 /nfs/dbraw/zinc/78/41/96/334784196.db2.gz YAOPAVDOQNJPJU-DUVNUKRYSA-N 1 0 263.381 3.391 20 10 CGCDRO CC(C)[N@H+](Cc1ccco1)Cc1cc2c(cc1O)OCO2 ZINC000299390083 519660793 /nfs/dbraw/zinc/66/07/93/519660793.db2.gz QZUGCRHJWNNWAW-UHFFFAOYSA-N 1 0 289.331 3.125 20 10 CGCDRO CCCCN(C)C[C@@H](C)[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000289820184 520412949 /nfs/dbraw/zinc/41/29/49/520412949.db2.gz OYLMHUSBDIDCCX-ZIAGYGMSSA-N 1 0 294.439 3.172 20 10 CGCDRO CC[N@H+](Cc1cccc(C)c1O)[C@@H]1CCOC(C)(C)C1 ZINC000291689602 521340435 /nfs/dbraw/zinc/34/04/35/521340435.db2.gz XYEBLOWAYMJYIY-OAHLLOKOSA-N 1 0 277.408 3.480 20 10 CGCDRO CCOc1cccc(C[NH2+][C@H](C)CC(C)C)c1O ZINC000037264285 521374822 /nfs/dbraw/zinc/37/48/22/521374822.db2.gz VQDHBAYNBAMANB-GFCCVEGCSA-N 1 0 251.370 3.315 20 10 CGCDRO CN(C)c1ccc(C[N@H+](CCc2ccccn2)C2CC2)cc1 ZINC000264017845 522173003 /nfs/dbraw/zinc/17/30/03/522173003.db2.gz LBVTVIXVVLTCGA-UHFFFAOYSA-N 1 0 295.430 3.355 20 10 CGCDRO COc1cc(Cl)cc(C[NH+]2CCC(CF)CC2)c1O ZINC000295001966 522535639 /nfs/dbraw/zinc/53/56/39/522535639.db2.gz IOERDLICXMHGIG-UHFFFAOYSA-N 1 0 287.762 3.236 20 10 CGCDRO CC[C@H]([NH2+]CC[C@@H](C)OC)c1ccc(C)cc1O ZINC000280214664 522598386 /nfs/dbraw/zinc/59/83/86/522598386.db2.gz UJPOZYBFIXFFBT-OCCSQVGLSA-N 1 0 251.370 3.166 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1ccccc1O ZINC000037087288 522716691 /nfs/dbraw/zinc/71/66/91/522716691.db2.gz KNPBGZZQBPRDDH-LSDHHAIUSA-N 1 0 285.391 3.244 20 10 CGCDRO COC[C@H]([NH2+]Cc1cc(C)c(C)cc1O)c1ccc(C)o1 ZINC000080238017 522747448 /nfs/dbraw/zinc/74/74/48/522747448.db2.gz ICOCLGFYNPNYLZ-HNNXBMFYSA-N 1 0 289.375 3.388 20 10 CGCDRO CC[C@@H]([NH2+]C1CCN(C2CC2)CC1)c1ccc(C)cc1O ZINC000280156360 522811746 /nfs/dbraw/zinc/81/17/46/522811746.db2.gz QLIPJKLLVVETNW-QGZVFWFLSA-N 1 0 288.435 3.368 20 10 CGCDRO CCc1nocc1C[N@H+](C)Cc1ccc(N(C)C)c(C)c1 ZINC000293399571 522932360 /nfs/dbraw/zinc/93/23/60/522932360.db2.gz LLMURAHUQIJTJH-UHFFFAOYSA-N 1 0 287.407 3.243 20 10 CGCDRO CC[C@@H]([NH2+][C@H](C)c1nnc(C(C)C)[nH]1)c1ccccc1O ZINC000274812124 522940050 /nfs/dbraw/zinc/94/00/50/522940050.db2.gz YDKTZHRUKFXXEW-DGCLKSJQSA-N 1 0 288.395 3.436 20 10 CGCDRO CO[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000289974535 523432237 /nfs/dbraw/zinc/43/22/37/523432237.db2.gz ZGPDLDVUQLOZKL-CABCVRRESA-N 1 0 276.424 3.190 20 10 CGCDRO CO[C@@H](C[NH2+]Cc1ccc(N2CCCCC2)cc1)C1CC1 ZINC000293003245 523537619 /nfs/dbraw/zinc/53/76/19/523537619.db2.gz NFKZGPAOUZPIIW-SFHVURJKSA-N 1 0 288.435 3.192 20 10 CGCDRO CO[C@H](C)[C@@H](C)[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000290163638 523892082 /nfs/dbraw/zinc/89/20/82/523892082.db2.gz MCNCEMHORWSYDL-JHJVBQTASA-N 1 0 251.370 3.083 20 10 CGCDRO Cc1cccc(CC[NH2+][C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000279925848 524363699 /nfs/dbraw/zinc/36/36/99/524363699.db2.gz AJNVWLPVQATIIT-OAHLLOKOSA-N 1 0 283.419 3.349 20 10 CGCDRO Cc1cccc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1O ZINC000290947597 524386569 /nfs/dbraw/zinc/38/65/69/524386569.db2.gz QJAOXEGVLKMTRQ-WBVHZDCISA-N 1 0 287.403 3.234 20 10 CGCDRO Cc1cc(C[NH+]2CCC(c3ncc[nH]3)CC2)ccc1N(C)C ZINC000292707849 524678146 /nfs/dbraw/zinc/67/81/46/524678146.db2.gz DVKJIQXKUIIUKE-UHFFFAOYSA-N 1 0 298.434 3.164 20 10 CGCDRO CSC1(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000193829667 525335650 /nfs/dbraw/zinc/33/56/50/525335650.db2.gz FDLKGYUJMFYTNI-LBPRGKRZSA-N 1 0 264.438 3.299 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H]2c2nccs2)c1 ZINC000374299478 525343557 /nfs/dbraw/zinc/34/35/57/525343557.db2.gz BNIGOALIFNZQPB-ZDUSSCGKSA-N 1 0 274.389 3.494 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]C[C@@H](c2ccccc2)N(C)C)c1 ZINC000071406304 525350883 /nfs/dbraw/zinc/35/08/83/525350883.db2.gz SYNBAEFIVMXYOY-KRWDZBQOSA-N 1 0 284.403 3.093 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc3c2OCO3)c1 ZINC000040667137 525363556 /nfs/dbraw/zinc/36/35/56/525363556.db2.gz AYQXCQZVLLIOGG-GFCCVEGCSA-N 1 0 285.343 3.280 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](CO)c2ccccc2)c1 ZINC000062999848 525365264 /nfs/dbraw/zinc/36/52/64/525365264.db2.gz CSROJYPVVNMHJS-XJKSGUPXSA-N 1 0 271.360 3.085 20 10 CGCDRO C[C@@H]([NH2+]CCN(C)C1CCCC1)c1cc(F)ccc1O ZINC000094618200 525445032 /nfs/dbraw/zinc/44/50/32/525445032.db2.gz DMNNVLQFEDCMAC-GFCCVEGCSA-N 1 0 280.387 3.056 20 10 CGCDRO C[C@@H]([NH2+]C[C@H](O)CCc1ccccc1)c1ccccc1O ZINC000273193051 525492751 /nfs/dbraw/zinc/49/27/51/525492751.db2.gz HHDYOSPPWUVXNT-GDBMZVCRSA-N 1 0 285.387 3.037 20 10 CGCDRO C[C@@H](O)CC[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000268903858 525771345 /nfs/dbraw/zinc/77/13/45/525771345.db2.gz RCCGEIDSXYTYNO-ZIAGYGMSSA-N 1 0 294.414 3.238 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCSC2)c(O)c1 ZINC000228551760 525924808 /nfs/dbraw/zinc/92/48/08/525924808.db2.gz VJTDLVJHTWSFPX-NWDGAFQWSA-N 1 0 251.395 3.104 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCc3c2cnn3C)c(O)c1 ZINC000037087192 525945477 /nfs/dbraw/zinc/94/54/77/525945477.db2.gz YGNSRBKQTKKKEC-WFASDCNBSA-N 1 0 285.391 3.162 20 10 CGCDRO COc1cccc(C[NH2+]Cc2cc(F)ccc2C)c1O ZINC000289405902 526022171 /nfs/dbraw/zinc/02/21/71/526022171.db2.gz HEPDAOGACLFBFV-UHFFFAOYSA-N 1 0 275.323 3.138 20 10 CGCDRO OCC1(C[NH2+]Cc2c(O)cccc2Cl)CC2(CCC2)C1 ZINC000278710990 527523984 /nfs/dbraw/zinc/52/39/84/527523984.db2.gz RVPKNGDUTGCXOM-UHFFFAOYSA-N 1 0 295.810 3.078 20 10 CGCDRO CC[C@H](CCO)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000740898888 572467334 /nfs/dbraw/zinc/46/73/34/572467334.db2.gz FMTDFGKNSRNUIO-QGZVFWFLSA-N 1 0 285.387 3.310 20 10 CGCDRO COc1ccc(C[NH2+]Cc2c(O)cccc2Cl)cc1F ZINC000733322165 572555294 /nfs/dbraw/zinc/55/52/94/572555294.db2.gz AWLXNQWRQWGVRD-UHFFFAOYSA-N 1 0 295.741 3.483 20 10 CGCDRO CC[C@@H]1CCCCN1CC[NH2+]Cc1c(O)cccc1Cl ZINC000733330299 572557680 /nfs/dbraw/zinc/55/76/80/572557680.db2.gz SBUDQOWXXJMBDH-CYBMUJFWSA-N 1 0 296.842 3.400 20 10 CGCDRO CCOc1ccc(C[NH2+]CCCC(F)(F)F)c(O)c1 ZINC000743497756 572666668 /nfs/dbraw/zinc/66/66/68/572666668.db2.gz ZTTKLKZDELMWEM-UHFFFAOYSA-N 1 0 277.286 3.223 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CC2Cc3ccccc3C2)cc1 ZINC000735323928 572715087 /nfs/dbraw/zinc/71/50/87/572715087.db2.gz HMRCDBXSVSWXSO-UHFFFAOYSA-N 1 0 280.415 3.257 20 10 CGCDRO COc1cccc(C[NH2+][C@H]2CSc3ccccc32)c1O ZINC000735508921 572725787 /nfs/dbraw/zinc/72/57/87/572725787.db2.gz QRPRESZAONCDRT-ZDUSSCGKSA-N 1 0 287.384 3.337 20 10 CGCDRO CO[C@]1(C)C[C@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)C1(C)C ZINC000744448704 572753469 /nfs/dbraw/zinc/75/34/69/572753469.db2.gz MXNPXGDZBDZVLQ-DOTOQJQBSA-N 1 0 294.414 3.185 20 10 CGCDRO CCOCc1cc(C[NH2+]C(C)(C)CCOC)ccc1OC ZINC000747100877 572909920 /nfs/dbraw/zinc/90/99/20/572909920.db2.gz XCLUVMCWLXBRDG-UHFFFAOYSA-N 1 0 295.423 3.136 20 10 CGCDRO CCOc1ccc(C[NH2+]CC2CCC(OC)CC2)c(O)c1 ZINC000749923656 573059243 /nfs/dbraw/zinc/05/92/43/573059243.db2.gz VVGIEDIEFSUTLQ-UHFFFAOYSA-N 1 0 293.407 3.086 20 10 CGCDRO C[C@@H]1CC[C@H]([NH2+]Cc2cc(Br)ccc2O)C1 ZINC000232180860 623367557 /nfs/dbraw/zinc/36/75/57/623367557.db2.gz WYDGZCCAKRQPNC-SKDRFNHKSA-N 1 0 284.197 3.433 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CC[C@H](SC)C2)c1 ZINC000300419045 617789322 /nfs/dbraw/zinc/78/93/22/617789322.db2.gz MNZQRPMTAKMQBD-LOWVWBTDSA-N 1 0 281.421 3.336 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](CO)C(C)C)c1ccc(C)cc1O ZINC000806169416 617796420 /nfs/dbraw/zinc/79/64/20/617796420.db2.gz LGNVCLKPRYRTAW-ZFWWWQNUSA-N 1 0 265.397 3.006 20 10 CGCDRO Cc1ccc(O)c(C[NH+]2CC(c3ccccc3F)C2)c1 ZINC000812790907 617854521 /nfs/dbraw/zinc/85/45/21/617854521.db2.gz LOGKOANPXRBXRE-UHFFFAOYSA-N 1 0 271.335 3.439 20 10 CGCDRO COc1cc(C[N@@H+]2CCS[C@H](C(C)C)C2)c(O)cc1C ZINC000160319231 617954117 /nfs/dbraw/zinc/95/41/17/617954117.db2.gz SWUYOFRIOZKPLU-INIZCTEOSA-N 1 0 295.448 3.283 20 10 CGCDRO CC[C@H](C)C[N@H+](CC)Cc1cc(OC)c(OC)cc1O ZINC000160352763 618019479 /nfs/dbraw/zinc/01/94/79/618019479.db2.gz WLEHKKVPQXGDLQ-LBPRGKRZSA-N 1 0 281.396 3.277 20 10 CGCDRO Oc1cccc(Cl)c1C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000121241660 618100868 /nfs/dbraw/zinc/10/08/68/618100868.db2.gz BEOAZZAKOSBBDI-LLVKDONJSA-N 1 0 291.782 3.148 20 10 CGCDRO CC[N@H+](Cc1cccs1)Cc1cc2c(cc1O)OCO2 ZINC000022363339 618157110 /nfs/dbraw/zinc/15/71/10/618157110.db2.gz GIIJJVMFHOWEJG-UHFFFAOYSA-N 1 0 291.372 3.205 20 10 CGCDRO COc1ccc(C[N@H+](CC(C)C)C(C)C)c(O)c1OC ZINC000891700471 618249270 /nfs/dbraw/zinc/24/92/70/618249270.db2.gz WEFVBDSJVGRULO-UHFFFAOYSA-N 1 0 281.396 3.276 20 10 CGCDRO COc1cccc(C[NH2+][C@@]2(C)CCCC[C@H]2C)c1O ZINC000308697123 618350400 /nfs/dbraw/zinc/35/04/00/618350400.db2.gz GBOWFMAEXFGHKA-WBMJQRKESA-N 1 0 263.381 3.459 20 10 CGCDRO CCCC(O)(CCC)C[NH2+]Cc1cc(OCC)ccc1O ZINC000119703235 618550044 /nfs/dbraw/zinc/55/00/44/618550044.db2.gz YDFKDURJJZIGEQ-UHFFFAOYSA-N 1 0 295.423 3.212 20 10 CGCDRO CC[N@H+](CCc1ccccc1)Cc1cccc(OC)c1O ZINC000179302794 618774581 /nfs/dbraw/zinc/77/45/81/618774581.db2.gz RMMWRKGRZYGBMQ-UHFFFAOYSA-N 1 0 285.387 3.465 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](COC)C(C)C)cc1 ZINC000165892428 618900926 /nfs/dbraw/zinc/90/09/26/618900926.db2.gz UUSWCQKIGCMKHN-PBHICJAKSA-N 1 0 278.440 3.464 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H](CO)C2)c(O)c1C ZINC000840895622 618963764 /nfs/dbraw/zinc/96/37/64/618963764.db2.gz PDZVLTREMDLTBH-SOUVJXGZSA-N 1 0 277.408 3.211 20 10 CGCDRO CCC(C)(C)OCC[NH2+][C@H](C)c1cc(F)ccc1O ZINC000308715939 618974619 /nfs/dbraw/zinc/97/46/19/618974619.db2.gz BGTNWSXNACCMMA-LLVKDONJSA-N 1 0 269.360 3.387 20 10 CGCDRO CC1CCC([NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000020089426 618975385 /nfs/dbraw/zinc/97/53/85/618975385.db2.gz YTKGCILIQDUWNB-UHFFFAOYSA-N 1 0 288.435 3.192 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H]2CCCO[C@H]2CC(C)C)c1 ZINC000185192509 619058305 /nfs/dbraw/zinc/05/83/05/619058305.db2.gz CNUVYHYODVINSK-RDJZCZTQSA-N 1 0 277.408 3.384 20 10 CGCDRO COc1cccc(C[NH2+]CCCCCSC)c1O ZINC000185161784 619058381 /nfs/dbraw/zinc/05/83/81/619058381.db2.gz MVXAHSFZVADULN-UHFFFAOYSA-N 1 0 269.410 3.024 20 10 CGCDRO [NH3+]CCN(Cc1ccccc1)Cc1cc(Cl)ccc1O ZINC000220352074 619127266 /nfs/dbraw/zinc/12/72/66/619127266.db2.gz ZXUXINJQBWIWES-UHFFFAOYSA-N 1 0 290.794 3.007 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](C)N2CCC(C)CC2)c1 ZINC000185227305 625324687 /nfs/dbraw/zinc/32/46/87/625324687.db2.gz RXFNTVQOCGQUKL-HOTGVXAUSA-N 1 0 290.451 3.472 20 10 CGCDRO C[C@@H]1CC[C@H](C)C[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000093498557 619201084 /nfs/dbraw/zinc/20/10/84/619201084.db2.gz DKZKOQGHIPRJDK-JKSUJKDBSA-N 1 0 288.435 3.144 20 10 CGCDRO C[C@@H]1C[C@H](C[NH2+]C/C=C/c2ccc(N(C)C)cc2)[C@@H](C)O1 ZINC000840963136 619282859 /nfs/dbraw/zinc/28/28/59/619282859.db2.gz IIGCFZWQXISNLP-SYFBOWRASA-N 1 0 288.435 3.169 20 10 CGCDRO COc1cc(C)cc(C[NH2+]Cc2ccccc2C)c1O ZINC000894139673 619389932 /nfs/dbraw/zinc/38/99/32/619389932.db2.gz GDASCCRXLTUFMT-UHFFFAOYSA-N 1 0 271.360 3.307 20 10 CGCDRO COc1cc(C)cc(C[NH2+]CCc2ccc(F)cc2)c1O ZINC000894149773 619393638 /nfs/dbraw/zinc/39/36/38/619393638.db2.gz OOEHCQGVUURZGM-UHFFFAOYSA-N 1 0 289.350 3.181 20 10 CGCDRO COc1cc(C)cc(C[NH2+]CCSC(C)(C)C)c1O ZINC000894238086 619434898 /nfs/dbraw/zinc/43/48/98/619434898.db2.gz PDEFWOLFSLGOIA-UHFFFAOYSA-N 1 0 283.437 3.331 20 10 CGCDRO COc1cc(C)cc(C[NH2+]CCCc2cccs2)c1O ZINC000894361834 619504471 /nfs/dbraw/zinc/50/44/71/619504471.db2.gz NCQNOBGSSAXJRZ-UHFFFAOYSA-N 1 0 291.416 3.493 20 10 CGCDRO COc1cc(C)cc(C[NH2+]CCCCOC(C)C)c1O ZINC000894442036 619534152 /nfs/dbraw/zinc/53/41/52/619534152.db2.gz VTSLVWSPGKQNPL-UHFFFAOYSA-N 1 0 281.396 3.004 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cnc(F)cc2C)c1 ZINC000894501796 619558087 /nfs/dbraw/zinc/55/80/87/619558087.db2.gz HSTOSKRLMJHWTF-NSHDSACASA-N 1 0 290.338 3.094 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(OC)c1O)[C@H]1CC1(C)C ZINC000894955753 619686463 /nfs/dbraw/zinc/68/64/63/619686463.db2.gz RFTBWSVEHWMJBO-CHWSQXEVSA-N 1 0 293.407 3.324 20 10 CGCDRO [O-]c1c(F)cc(F)cc1C[N@@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000895073453 619712891 /nfs/dbraw/zinc/71/28/91/619712891.db2.gz HMMZKKYRAKHYPK-NHYWBVRUSA-N 1 0 297.345 3.061 20 10 CGCDRO COc1cc(C)cc(C[NH2+]C[C@@H](C)CC(F)F)c1O ZINC000895076689 619715124 /nfs/dbraw/zinc/71/51/24/619715124.db2.gz ZMWVJCAOUURAPL-JTQLQIEISA-N 1 0 273.323 3.090 20 10 CGCDRO C[C@H]([NH2+]C1CC2(C1)CO[C@H](C)C2)c1ccccc1O ZINC000895131114 619745247 /nfs/dbraw/zinc/74/52/47/619745247.db2.gz TXIWIXVMOMKWER-MAHYQRQESA-N 1 0 261.365 3.000 20 10 CGCDRO Cc1cc(C[NH2+][C@@H](C)c2ccccc2O)cnc1F ZINC000895852364 619897430 /nfs/dbraw/zinc/89/74/30/619897430.db2.gz TWFSANMQAFRAPQ-NSHDSACASA-N 1 0 260.312 3.086 20 10 CGCDRO COc1cccc(C[N@@H+]2C[C@@H]3C[C@]3(c3ccccc3)C2)c1O ZINC000896230537 619971046 /nfs/dbraw/zinc/97/10/46/619971046.db2.gz JHAAUIHIHGYIOA-QFBILLFUSA-N 1 0 295.382 3.174 20 10 CGCDRO CCc1onc(C)c1C[NH2+]Cc1cccc(CC)c1O ZINC000897337319 620211507 /nfs/dbraw/zinc/21/15/07/620211507.db2.gz YYXXSHBEARQMFX-UHFFFAOYSA-N 1 0 274.364 3.103 20 10 CGCDRO COc1ccc(C[NH2+]Cc2ccc(F)cc2)cc1C ZINC000035052342 620265266 /nfs/dbraw/zinc/26/52/66/620265266.db2.gz VHEWFVOYZYCDKT-UHFFFAOYSA-N 1 0 259.324 3.433 20 10 CGCDRO CC[NH+](CC)Cc1cc(Br)cc(C)c1O ZINC000100692615 620268621 /nfs/dbraw/zinc/26/86/21/620268621.db2.gz GTCYLAXGQGXTEV-UHFFFAOYSA-N 1 0 272.186 3.305 20 10 CGCDRO COc1ncccc1C[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841745644 620351889 /nfs/dbraw/zinc/35/18/89/620351889.db2.gz RRYZZVAHCCEHRI-JTQLQIEISA-N 1 0 292.766 3.300 20 10 CGCDRO COc1cccc(O)c1C[NH2+][C@@H]1CCCC2(CC2)C1 ZINC000897773522 620427137 /nfs/dbraw/zinc/42/71/37/620427137.db2.gz JVNDLKRAERKSQP-GFCCVEGCSA-N 1 0 261.365 3.213 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C2CC3(C2)CO[C@@H](C)C3)c(Cl)c1 ZINC000897776690 620427884 /nfs/dbraw/zinc/42/78/84/620427884.db2.gz UXPOSJLMXSIWQD-FZWSLVFFSA-N 1 0 295.810 3.401 20 10 CGCDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCSC(C)(C)C1 ZINC000897792376 620432247 /nfs/dbraw/zinc/43/22/47/620432247.db2.gz BDYOSNWLJPIJSL-GFCCVEGCSA-N 1 0 265.422 3.464 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]C(C)(C)CSC)c1O ZINC000898305609 620509073 /nfs/dbraw/zinc/50/90/73/620509073.db2.gz KUOPWZCGNTVWBO-UHFFFAOYSA-N 1 0 289.828 3.285 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)C1CCCCC1 ZINC000841042711 620537349 /nfs/dbraw/zinc/53/73/49/620537349.db2.gz MMORAUYPZUWQEX-RDTXWAMCSA-N 1 0 289.467 3.311 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCS[C@H](C)C1)c1ccccc1O ZINC000927029770 620564610 /nfs/dbraw/zinc/56/46/10/620564610.db2.gz FRUCIEAFCLJALO-IJLUTSLNSA-N 1 0 251.395 3.327 20 10 CGCDRO C[C@H]([NH2+][C@@H](C1CC1)[C@@H]1CCCOC1)c1cc(F)ccc1O ZINC000927069846 620570334 /nfs/dbraw/zinc/57/03/34/620570334.db2.gz NJLHVGRMIKTEKW-PPHDSNJXSA-N 1 0 293.382 3.387 20 10 CGCDRO CCOCc1cc(C[NH2+]C/C=C\Cl)ccc1OC ZINC000898437256 620588251 /nfs/dbraw/zinc/58/82/51/620588251.db2.gz ZHTWJBCSENAPKB-DAXSKMNVSA-N 1 0 269.772 3.074 20 10 CGCDRO C[C@H]([NH2+][C@H]1C[C@H](CO)C1)c1ccc(N2CCCCC2)cc1 ZINC000927152231 620607078 /nfs/dbraw/zinc/60/70/78/620607078.db2.gz KFCAGXPUSSJXTO-ZOBUZTSGSA-N 1 0 288.435 3.098 20 10 CGCDRO C[C@@H](N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccc(N2CCCCC2)cc1 ZINC000902473007 621324257 /nfs/dbraw/zinc/32/42/57/621324257.db2.gz NZHITHPHZUYESX-SKWUIDRYSA-N 1 0 299.462 3.220 20 10 CGCDRO C[C@H](N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccc(N2CCCCC2)cc1 ZINC000902473006 621324610 /nfs/dbraw/zinc/32/46/10/621324610.db2.gz NZHITHPHZUYESX-QNDJGXFYSA-N 1 0 299.462 3.220 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2cc(N(C)C)ccn2)c(O)c1 ZINC000903198850 621623306 /nfs/dbraw/zinc/62/33/06/621623306.db2.gz QBVHVTCJDWHNLV-AWEZNQCLSA-N 1 0 299.418 3.321 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCN(C)[C@@H]1C)c1cc(Cl)ccc1O ZINC000903300478 621667746 /nfs/dbraw/zinc/66/77/46/621667746.db2.gz IPSZBUVOLWGNAX-SWHYSGLUSA-N 1 0 282.815 3.179 20 10 CGCDRO C[C@H]([NH2+]C[C@]12C[C@H]1COC21CCC1)c1cc(F)ccc1O ZINC000903363943 621715224 /nfs/dbraw/zinc/71/52/24/621715224.db2.gz RKXARKTXYWVYKX-MQIPJXDCSA-N 1 0 291.366 3.141 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCOC23CCCC3)c1 ZINC000903384254 621724861 /nfs/dbraw/zinc/72/48/61/621724861.db2.gz VAZSTLYURKLUCG-CJNGLKHVSA-N 1 0 275.392 3.453 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+][C@H]1CCOC13CCCC3)CC2 ZINC000903389329 621728335 /nfs/dbraw/zinc/72/83/35/621728335.db2.gz PGQITFVKJLDFPO-ZFWWWQNUSA-N 1 0 273.376 3.071 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1CCCS1)c1ccc(F)cc1[O-] ZINC000149590975 622345781 /nfs/dbraw/zinc/34/57/81/622345781.db2.gz DFBZKSNSPBGYHP-ONGXEEELSA-N 1 0 255.358 3.078 20 10 CGCDRO C[C@@H]([NH2+]C1CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000151221794 622752442 /nfs/dbraw/zinc/75/24/42/622752442.db2.gz YVLJTEJMEOEWJI-CQSZACIVSA-N 1 0 274.408 3.116 20 10 CGCDRO CO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)C1(C)C ZINC000224518128 622878722 /nfs/dbraw/zinc/87/87/22/622878722.db2.gz MMHIEBHANHRFOF-APHBMKBZSA-N 1 0 276.424 3.217 20 10 CGCDRO CC(C)C1(C[NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000227832588 623031888 /nfs/dbraw/zinc/03/18/88/623031888.db2.gz GJEUMLPTTCWMOQ-UHFFFAOYSA-N 1 0 288.435 3.049 20 10 CGCDRO CN(C)c1ccc(C[N@H+](Cc2ccccn2)C2CC2)cc1 ZINC000170928270 623113095 /nfs/dbraw/zinc/11/30/95/623113095.db2.gz HQCSKRNPHLHFEH-UHFFFAOYSA-N 1 0 281.403 3.312 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)[C@H](C)[NH3+])c1cc(Cl)cc(Cl)c1[O-] ZINC000817978244 625629705 /nfs/dbraw/zinc/62/97/05/625629705.db2.gz YWFXNAUOEOPWMP-UBJUHAIHSA-N 1 0 291.222 3.475 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CC[C@@H](C)C2)c1 ZINC000230404686 623241297 /nfs/dbraw/zinc/24/12/97/623241297.db2.gz ODVVTRMBWOGUOU-AGIUHOORSA-N 1 0 263.381 3.488 20 10 CGCDRO CS[C@H]1CC[C@H]([NH2+]Cc2ccc(N(C)C)cc2)C1 ZINC000230697883 623263582 /nfs/dbraw/zinc/26/35/82/623263582.db2.gz ADRBAUJCODSIAS-ZFWWWQNUSA-N 1 0 264.438 3.126 20 10 CGCDRO Cc1ncc([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2)s1 ZINC000090400562 623604528 /nfs/dbraw/zinc/60/45/28/623604528.db2.gz GKPLQLDNKDQRIX-NSHDSACASA-N 1 0 275.421 3.368 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C/C=C/Cl)C2CC2)cc1 ZINC000917073914 624233253 /nfs/dbraw/zinc/23/32/53/624233253.db2.gz HPLADHAHZGURNC-XCVCLJGOSA-N 1 0 264.800 3.470 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C/C=C\Cl)C2CC2)cc1 ZINC000917073913 624233272 /nfs/dbraw/zinc/23/32/72/624233272.db2.gz HPLADHAHZGURNC-KMKOMSMNSA-N 1 0 264.800 3.470 20 10 CGCDRO COc1ccc(O)c(C[N@H+](C)Cc2ccc(C)s2)c1 ZINC000180036162 624712327 /nfs/dbraw/zinc/71/23/27/624712327.db2.gz FXJWZIATLBSXLF-UHFFFAOYSA-N 1 0 277.389 3.403 20 10 CGCDRO CCC[N@@H+](Cc1cc(OC)ccc1O)C[C@@H]1CCCCO1 ZINC000180068546 624714445 /nfs/dbraw/zinc/71/44/45/624714445.db2.gz QLFAWZAUMKRUJP-INIZCTEOSA-N 1 0 293.407 3.182 20 10 CGCDRO c1cc(C[NH2+]CCOC2CCCCC2)cc2c1OCC2 ZINC000070168065 624971982 /nfs/dbraw/zinc/97/19/82/624971982.db2.gz LYVIIVJSHCXRRT-UHFFFAOYSA-N 1 0 275.392 3.060 20 10 CGCDRO CC[C@@H]1CCCCN1CC[NH2+][C@@H](C)c1ccccc1O ZINC000183511521 625086335 /nfs/dbraw/zinc/08/63/35/625086335.db2.gz OCTKWDRVDRAHAL-LSDHHAIUSA-N 1 0 276.424 3.307 20 10 CGCDRO Oc1cccc2c1CC[C@H]2[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921692835 625845124 /nfs/dbraw/zinc/84/51/24/625845124.db2.gz GABPYCRCULMTIS-QGZVFWFLSA-N 1 0 295.382 3.494 20 10 CGCDRO Cc1nc(C)c(C[NH2+]Cc2ccc3c(c2)CCCO3)s1 ZINC000921782913 625874160 /nfs/dbraw/zinc/87/41/60/625874160.db2.gz KYSIBKJUYRACIL-UHFFFAOYSA-N 1 0 288.416 3.375 20 10 CGCDRO C[C@H](O)[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1ccccc1 ZINC000922267933 625992252 /nfs/dbraw/zinc/99/22/52/625992252.db2.gz QLFFYONGSSLVLG-IFXJQAMLSA-N 1 0 297.398 3.223 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@H+]2C[C@@H](C)OC(C)(C)C2)c1 ZINC000164206327 626085860 /nfs/dbraw/zinc/08/58/60/626085860.db2.gz MTEACKHEFIKHFH-CYBMUJFWSA-N 1 0 263.381 3.008 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C2([C@@H]3CCCCO3)CC2)cc1F ZINC000923029187 626123974 /nfs/dbraw/zinc/12/39/74/626123974.db2.gz FGAANMSKQBNHBM-INIZCTEOSA-N 1 0 292.398 3.083 20 10 CGCDRO C[C@@H]([NH2+]C[C@H](c1cccs1)N(C)C)c1ccccc1O ZINC000020147606 634491716 /nfs/dbraw/zinc/49/17/16/634491716.db2.gz WWQDQRNFJIQONG-TZMCWYRMSA-N 1 0 290.432 3.407 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](CO)C[C@@H](C)CC)c1ccccc1O ZINC000842918918 626290321 /nfs/dbraw/zinc/29/03/21/626290321.db2.gz VIKGPHUQFKOLAI-GZBFAFLISA-N 1 0 265.397 3.230 20 10 CGCDRO CC(C)O[C@H]1C[C@@H]([NH2+]C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000839147188 626316973 /nfs/dbraw/zinc/31/69/73/626316973.db2.gz FKVPFZLLKLCCQA-NEGGSPHPSA-N 1 0 288.435 3.311 20 10 CGCDRO Cc1cc(Cl)cc(C[NH+]2CC3(CC(F)C3)C2)c1O ZINC000839139742 626322454 /nfs/dbraw/zinc/32/24/54/626322454.db2.gz KSDJOFUGSFRADO-UHFFFAOYSA-N 1 0 269.747 3.288 20 10 CGCDRO CCOc1ccc(C[NH+]2CC(CC(F)(F)F)C2)c(O)c1 ZINC000839139047 626322658 /nfs/dbraw/zinc/32/26/58/626322658.db2.gz WZAMUHKMCMTPRO-UHFFFAOYSA-N 1 0 289.297 3.175 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2C[C@@H](OC)C23CCC3)c1 ZINC000839179536 626326301 /nfs/dbraw/zinc/32/63/01/626326301.db2.gz KUAAHCAFCYPGCR-KNXALSJPSA-N 1 0 291.391 3.009 20 10 CGCDRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC000839191828 626328557 /nfs/dbraw/zinc/32/85/57/626328557.db2.gz KDABUZLFHCQFKM-SJORKVTESA-N 1 0 276.424 3.190 20 10 CGCDRO Cc1cccc(CC[NH2+]Cc2cccc(C)c2O)c1 ZINC000124759504 634498653 /nfs/dbraw/zinc/49/86/53/634498653.db2.gz AAQVKALMPSFLQI-UHFFFAOYSA-N 1 0 255.361 3.341 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]CCc1ccc(F)c(F)c1F ZINC000753574735 626456005 /nfs/dbraw/zinc/45/60/05/626456005.db2.gz FYQSHVRAKAAMAQ-UHFFFAOYSA-N 1 0 299.267 3.281 20 10 CGCDRO CC(C)[C@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)CS1 ZINC000754124799 626559435 /nfs/dbraw/zinc/55/94/35/626559435.db2.gz CNLRFLRQAHFDKI-GDBMZVCRSA-N 1 0 278.465 3.372 20 10 CGCDRO CCC1CCC([N@H+](CCO)Cc2cccc(C)c2O)CC1 ZINC000754155636 626561217 /nfs/dbraw/zinc/56/12/17/626561217.db2.gz YNHXRTXCPMZJDU-UHFFFAOYSA-N 1 0 291.435 3.464 20 10 CGCDRO COc1cc(C)cc(C[N@H+]([C@@H](C)C2CC2)C2CC2)c1O ZINC000754726046 626584852 /nfs/dbraw/zinc/58/48/52/626584852.db2.gz MAZYFUZSNKOHQM-LBPRGKRZSA-N 1 0 275.392 3.472 20 10 CGCDRO COc1ccc(N2CC[NH+](CCC(C)(C)C)CC2)cc1 ZINC000755362098 626617611 /nfs/dbraw/zinc/61/76/11/626617611.db2.gz SVIGFHXYGYFBTM-UHFFFAOYSA-N 1 0 276.424 3.253 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H](C2CC2)N(C)C)c2c1c(F)ccc2O ZINC000756434003 626705718 /nfs/dbraw/zinc/70/57/18/626705718.db2.gz SUELLUFKUAJDBM-HONMWMINSA-N 1 0 292.398 3.009 20 10 CGCDRO CC(C)C[C@H](CO)[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756449456 626707099 /nfs/dbraw/zinc/70/70/99/626707099.db2.gz MGKGREKWLHSCHM-NQBHXWOUSA-N 1 0 281.371 3.076 20 10 CGCDRO CC(C)C[C@H](O)C[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756495930 626710173 /nfs/dbraw/zinc/71/01/73/626710173.db2.gz DDQBXBFXKDEZOP-GVXVVHGQSA-N 1 0 281.371 3.076 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000756515904 626711238 /nfs/dbraw/zinc/71/12/38/626711238.db2.gz ONZBULKHRKNGDK-ZDUSSCGKSA-N 1 0 283.371 3.486 20 10 CGCDRO C[C@H](C[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F)N(C)C1CC1 ZINC000756551812 626714028 /nfs/dbraw/zinc/71/40/28/626714028.db2.gz XZTVYBXLJCZSRD-JTNHKYCSSA-N 1 0 292.398 3.152 20 10 CGCDRO CC[C@H](C[C@H](C)CO)[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756624122 626721478 /nfs/dbraw/zinc/72/14/78/626721478.db2.gz DJOXGCCESFNWMP-FMCLSXCISA-N 1 0 295.398 3.466 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)Cc2ccncc2)c1 ZINC000756636349 626722903 /nfs/dbraw/zinc/72/29/03/626722903.db2.gz WYOHRCOYGLJGBL-UONOGXRCSA-N 1 0 270.376 3.377 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@H](CO)CC2)c2c1c(F)ccc2O ZINC000756644344 626724284 /nfs/dbraw/zinc/72/42/84/626724284.db2.gz ARQYGEGDEDQFPL-HKUMRIAESA-N 1 0 293.382 3.220 20 10 CGCDRO CCn1cc(C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)cn1 ZINC000756731817 626728055 /nfs/dbraw/zinc/72/80/55/626728055.db2.gz DMTKHPGZDYWFKP-ZDUSSCGKSA-N 1 0 273.380 3.076 20 10 CGCDRO Cc1cccc(NCC[NH2+][C@@H](C)c2ccc(C)c(C)c2O)n1 ZINC000756744621 626729325 /nfs/dbraw/zinc/72/93/25/626729325.db2.gz BJSAMDQASFSQOF-HNNXBMFYSA-N 1 0 299.418 3.475 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]Cc2ncccc2F)c2c1c(F)ccc2O ZINC000756768183 626729754 /nfs/dbraw/zinc/72/97/54/626729754.db2.gz KQLKVKPZQKIFDB-SKDRFNHKSA-N 1 0 290.313 3.404 20 10 CGCDRO C[C@H]([NH2+][C@H](CO)CC1CC1)c1cc2c(cc1O)CCCC2 ZINC000756770159 626730510 /nfs/dbraw/zinc/73/05/10/626730510.db2.gz UHXTYKKSZBJYRA-LRDDRELGSA-N 1 0 289.419 3.083 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCc2cnc(C3CC3)nc2)c1 ZINC000756769365 626730697 /nfs/dbraw/zinc/73/06/97/626730697.db2.gz KZNJOXMABHOVHD-CYBMUJFWSA-N 1 0 297.402 3.261 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2ccc[nH]2)c1 ZINC000756786199 626732150 /nfs/dbraw/zinc/73/21/50/626732150.db2.gz YQIIKZCAJWGFKW-WDEREUQCSA-N 1 0 260.337 3.141 20 10 CGCDRO CO[C@@H]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000756785575 626732163 /nfs/dbraw/zinc/73/21/63/626732163.db2.gz GGSBROXRCKINHC-OFQRWUPVSA-N 1 0 277.408 3.475 20 10 CGCDRO CO[C@@H]1CCC[C@@H]1C[NH2+][C@H](C)c1cc(C)ccc1O ZINC000756788464 626732362 /nfs/dbraw/zinc/73/23/62/626732362.db2.gz VDBIIBHHNSUAOB-XJKCOSOUSA-N 1 0 263.381 3.166 20 10 CGCDRO CO[C@@H]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000756787741 626732662 /nfs/dbraw/zinc/73/26/62/626732662.db2.gz RFJSQBGZILGGBZ-HEHGZKQESA-N 1 0 263.381 3.166 20 10 CGCDRO CO[C@H](C[NH2+][C@@H](C)c1cc(Cl)ccc1O)C(F)(F)F ZINC000756836073 626736018 /nfs/dbraw/zinc/73/60/18/626736018.db2.gz SCVZXSCHKFEWAR-WRWORJQWSA-N 1 0 297.704 3.274 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]CCNc1ccccc1 ZINC000757686117 626800665 /nfs/dbraw/zinc/80/06/65/626800665.db2.gz VVYZFIRIVHXFEM-UHFFFAOYSA-N 1 0 276.767 3.247 20 10 CGCDRO Oc1cccc2c1C[C@H]([NH2+]Cc1cc(Cl)ccc1O)C2 ZINC000758558525 626848808 /nfs/dbraw/zinc/84/88/08/626848808.db2.gz HFKDPICDVODPNP-CYBMUJFWSA-N 1 0 289.762 3.008 20 10 CGCDRO COc1cccc(C[NH2+][C@H](c2cccnc2)C2CC2)c1O ZINC000758633663 626851993 /nfs/dbraw/zinc/85/19/93/626851993.db2.gz XDJFITGEDJTAEC-INIZCTEOSA-N 1 0 284.359 3.037 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCN(C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000765779950 627270300 /nfs/dbraw/zinc/27/03/00/627270300.db2.gz CYEXIBNPEUJKTH-QAPCUYQASA-N 1 0 287.451 3.030 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCOCC2CC2)cc1 ZINC000765867315 627275813 /nfs/dbraw/zinc/27/58/13/627275813.db2.gz MMVLFYUUUVCYQQ-AWEZNQCLSA-N 1 0 276.424 3.220 20 10 CGCDRO CCN1CCCC[C@H]1C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000765902924 627278101 /nfs/dbraw/zinc/27/81/01/627278101.db2.gz GJPGFPMNSDXPIL-YJBOKZPZSA-N 1 0 289.467 3.278 20 10 CGCDRO CCC[C@@](C)(O)C[NH2+][C@@H](CC)c1ccc(N(C)C)cc1 ZINC000765939374 627279934 /nfs/dbraw/zinc/27/99/34/627279934.db2.gz ARQJRXWALUSZSC-DLBZAZTESA-N 1 0 278.440 3.344 20 10 CGCDRO COc1ccc(C[NH2+]C[C@@]2(C)CCO[C@H]2C2CC2)cc1C ZINC000767196353 627389169 /nfs/dbraw/zinc/38/91/69/627389169.db2.gz UMJOMQVKRLPGDB-ZWKOTPCHSA-N 1 0 289.419 3.298 20 10 CGCDRO CCC[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000768292138 627472636 /nfs/dbraw/zinc/47/26/36/627472636.db2.gz WIXNDKQOIWXPTA-UHFFFAOYSA-N 1 0 292.398 3.037 20 10 CGCDRO CCC[C@H](C)[N@H+](C)Cc1cc(OCC)ccc1O ZINC000768340072 627474083 /nfs/dbraw/zinc/47/40/83/627474083.db2.gz ZPFMNVYMOLELHZ-LBPRGKRZSA-N 1 0 251.370 3.411 20 10 CGCDRO CC[N@@H+](Cc1cc2c(cc1O)CCCC2)C[C@H]1CCCO1 ZINC000768444814 627480481 /nfs/dbraw/zinc/48/04/81/627480481.db2.gz YSFYPFACFKUYCJ-QGZVFWFLSA-N 1 0 289.419 3.272 20 10 CGCDRO COc1cc(C[N@@H+]2CCCCC[C@@H]2C)c(O)cc1C ZINC000768448710 627480524 /nfs/dbraw/zinc/48/05/24/627480524.db2.gz WOVCVRIFEOCMSL-ZDUSSCGKSA-N 1 0 263.381 3.474 20 10 CGCDRO CCOc1ccc(C[N@H+](C)Cc2cnc(C)s2)c(O)c1 ZINC000768913261 627508715 /nfs/dbraw/zinc/50/87/15/627508715.db2.gz JUAVZSUWBJNROQ-UHFFFAOYSA-N 1 0 292.404 3.188 20 10 CGCDRO COc1cccc(O)c1C[N@H+](C)C1Cc2ccccc2C1 ZINC000769034480 627518968 /nfs/dbraw/zinc/51/89/68/627518968.db2.gz QWCKQKIIAGNCMB-UHFFFAOYSA-N 1 0 283.371 3.000 20 10 CGCDRO CCCC[N@H+](CCOC)Cc1ccc(N(C)C)c(F)c1 ZINC000769389208 627547776 /nfs/dbraw/zinc/54/77/76/627547776.db2.gz LLIQMJGLRWYHFD-UHFFFAOYSA-N 1 0 282.403 3.140 20 10 CGCDRO CCOc1ccc(O)c(C[N@H+](C[C@@H](C)OC)C(C)C)c1 ZINC000769476344 627558609 /nfs/dbraw/zinc/55/86/09/627558609.db2.gz YVLDWRJBZBIZPO-CYBMUJFWSA-N 1 0 281.396 3.036 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000769509384 627560984 /nfs/dbraw/zinc/56/09/84/627560984.db2.gz XHDPSXMQJNXQSY-HNNXBMFYSA-N 1 0 287.334 3.487 20 10 CGCDRO Oc1cccc(Cl)c1C[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000769518751 627562497 /nfs/dbraw/zinc/56/24/97/627562497.db2.gz BIGVBAOAGLVBMG-ZDUSSCGKSA-N 1 0 295.810 3.294 20 10 CGCDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2cc(C)ccc2O)C12CCC2 ZINC000770352222 627614551 /nfs/dbraw/zinc/61/45/51/627614551.db2.gz MXYUAXBKJNSDFN-SJORKVTESA-N 1 0 289.419 3.480 20 10 CGCDRO CC(C)(CO)C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000771205415 627690747 /nfs/dbraw/zinc/69/07/47/627690747.db2.gz SOFHQONNMFKPIK-UHFFFAOYSA-N 1 0 285.387 3.167 20 10 CGCDRO C[C@H]1COCCC[N@@H+]1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000772820445 627826171 /nfs/dbraw/zinc/82/61/71/627826171.db2.gz HTFJSJSTLFMVOK-LBPRGKRZSA-N 1 0 293.407 3.006 20 10 CGCDRO Cc1cc(C[NH2+][C@H](C)c2cncs2)ccc1N(C)C ZINC000772996590 627838764 /nfs/dbraw/zinc/83/87/64/627838764.db2.gz FOKOMDKSAWOWGV-GFCCVEGCSA-N 1 0 275.421 3.368 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CC2(CCO)CCC2)cc1 ZINC000773072372 627850623 /nfs/dbraw/zinc/85/06/23/627850623.db2.gz XFYKWKVHPGZNCU-OAHLLOKOSA-N 1 0 290.451 3.346 20 10 CGCDRO C[C@@H]([NH2+]C[C@H](O)c1cccc(Cl)c1)c1ccccc1O ZINC000775130459 628066191 /nfs/dbraw/zinc/06/61/91/628066191.db2.gz LOJUEIHRKWBXDK-BZNIZROVSA-N 1 0 291.778 3.430 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc2[nH]cnc2c1)c1ccc(N(C)C)cc1 ZINC000775361143 628086469 /nfs/dbraw/zinc/08/64/69/628086469.db2.gz APYQPTQVDDVAMS-ZDUSSCGKSA-N 1 0 294.402 3.480 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@](C)(O)C(C)C)c1cc(Cl)ccc1O ZINC000775503676 628101860 /nfs/dbraw/zinc/10/18/60/628101860.db2.gz MDUTYFYBVYXSSD-UKRRQHHQSA-N 1 0 285.815 3.493 20 10 CGCDRO CC[C@@H]([NH2+][C@H](C)C(C)(C)O)c1cc(Cl)ccc1O ZINC000775533776 628103845 /nfs/dbraw/zinc/10/38/45/628103845.db2.gz PJFGMRCQWHHMFR-BXKDBHETSA-N 1 0 271.788 3.246 20 10 CGCDRO CCO[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000775634023 628117601 /nfs/dbraw/zinc/11/76/01/628117601.db2.gz NSGDVPROUVADFG-CQSZACIVSA-N 1 0 283.799 3.355 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H]2C(C)(C)C)c1 ZINC000775679289 628124886 /nfs/dbraw/zinc/12/48/86/628124886.db2.gz VFXAIIXMGTVHFC-HNNXBMFYSA-N 1 0 263.381 3.411 20 10 CGCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2c(O)cccc2Cl)C12CCC2 ZINC000776176993 628176822 /nfs/dbraw/zinc/17/68/22/628176822.db2.gz HPSHZVGMPQOVRC-HUUCEWRRSA-N 1 0 295.810 3.483 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(Cl)cn2)c1 ZINC000776254757 628185305 /nfs/dbraw/zinc/18/53/05/628185305.db2.gz LYGNYPMOTRKXNX-UHFFFAOYSA-N 1 0 262.740 3.039 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C2CCC(OC(C)C)CC2)c1 ZINC000776253991 628185452 /nfs/dbraw/zinc/18/54/52/628185452.db2.gz YXBWDMQNOZTDQR-UHFFFAOYSA-N 1 0 293.407 3.227 20 10 CGCDRO COc1ccc(N2CC[NH+]([C@H](C)CC(C)C)CC2)cc1 ZINC000777400721 628267628 /nfs/dbraw/zinc/26/76/28/628267628.db2.gz CBRVBBFCHNGSOM-OAHLLOKOSA-N 1 0 276.424 3.252 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)COC2)c1ccccc1O ZINC000778231210 628336365 /nfs/dbraw/zinc/33/63/65/628336365.db2.gz FCMZZLUKOWILGO-LBPRGKRZSA-N 1 0 269.344 3.273 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc3c(c2)COC3)c1 ZINC000778237048 628337296 /nfs/dbraw/zinc/33/72/96/628337296.db2.gz PPKKOJRUTVRUSS-LBPRGKRZSA-N 1 0 299.370 3.282 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000779011084 628383390 /nfs/dbraw/zinc/38/33/90/628383390.db2.gz YXNQOTSLLUCXGL-SFHVURJKSA-N 1 0 283.371 3.356 20 10 CGCDRO C[C@@H]([NH2+]C1(C(=O)Nc2ccccc2)CC1)c1ccccc1O ZINC000779082164 628387892 /nfs/dbraw/zinc/38/78/92/628387892.db2.gz JFQAVJCCTVTDCU-CYBMUJFWSA-N 1 0 296.370 3.214 20 10 CGCDRO Cn1cc([C@@H]([NH2+]Cc2cc(F)ccc2O)C(C)(C)C)cn1 ZINC000779088172 628388317 /nfs/dbraw/zinc/38/83/17/628388317.db2.gz QUEQSGGAABVYPL-OAHLLOKOSA-N 1 0 291.370 3.142 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+][C@H](C)[C@@H]2CCCOC2)c1O ZINC000780780102 628516790 /nfs/dbraw/zinc/51/67/90/628516790.db2.gz ICVDUGXGRYWUGS-VXGBXAGGSA-N 1 0 283.799 3.259 20 10 CGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H](OC(F)F)C1)CCC2 ZINC000781150012 628541626 /nfs/dbraw/zinc/54/16/26/628541626.db2.gz PNOZQCKIAFELOH-CQSZACIVSA-N 1 0 297.345 3.085 20 10 CGCDRO COc1cccc(C[N@@H+]2CC[C@@]3(CC[C@@H](C)C3)C2)c1O ZINC000781931616 628606351 /nfs/dbraw/zinc/60/63/51/628606351.db2.gz ZMLFEDLPTNEVFS-CXAGYDPISA-N 1 0 275.392 3.413 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC=CO2)c2c1c(F)ccc2O ZINC000783310648 628702488 /nfs/dbraw/zinc/70/24/88/628702488.db2.gz QVNYKBFSFYHKAC-WZRBSPASSA-N 1 0 277.339 3.362 20 10 CGCDRO C[C@H]1C[C@H]([NH2+]CC2(N(C)C)CCC2)c2c1c(F)ccc2O ZINC000783315165 628702856 /nfs/dbraw/zinc/70/28/56/628702856.db2.gz VNZFCGFTRYINAK-AAEUAGOBSA-N 1 0 292.398 3.154 20 10 CGCDRO C[C@@H]([NH2+]CCN1[C@H](C)CCC[C@@H]1C)c1ccccc1O ZINC000783509310 628719453 /nfs/dbraw/zinc/71/94/53/628719453.db2.gz RRSQYEPJPARYMW-QLFBSQMISA-N 1 0 276.424 3.306 20 10 CGCDRO Cc1ncc2c(n1)CCC[C@@H]2[NH2+][C@H](C)c1ccccc1O ZINC000783514531 628720321 /nfs/dbraw/zinc/72/03/21/628720321.db2.gz SEFBXLOUUMBNBL-ABAIWWIYSA-N 1 0 283.375 3.219 20 10 CGCDRO C[C@H]([NH2+]CCC[C@@H]1CCCC[C@H]1O)c1ccccc1O ZINC000783520187 628720967 /nfs/dbraw/zinc/72/09/67/628720967.db2.gz YXFNOZICJSGUDY-OFQRWUPVSA-N 1 0 277.408 3.374 20 10 CGCDRO Cc1ccc2[nH]c(C[NH2+][C@@H](C)c3ccccc3O)nc2c1 ZINC000783519021 628720974 /nfs/dbraw/zinc/72/09/74/628720974.db2.gz SEOKRCGZLXQLPG-LBPRGKRZSA-N 1 0 281.359 3.428 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12)c1ccccc1O ZINC000783523286 628721354 /nfs/dbraw/zinc/72/13/54/628721354.db2.gz BFHKXBYYMDHGHH-FDEJFUCISA-N 1 0 295.473 3.422 20 10 CGCDRO C[N@H+](Cc1c[nH]nc1-c1ccsc1)Cc1ccccc1O ZINC000783535808 628722851 /nfs/dbraw/zinc/72/28/51/628722851.db2.gz SMFAALQLWXLRNB-UHFFFAOYSA-N 1 0 299.399 3.476 20 10 CGCDRO CC[C@@H](C)CN(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000783668199 628737256 /nfs/dbraw/zinc/73/72/56/628737256.db2.gz NUXAOUWBTPEFNJ-CQSZACIVSA-N 1 0 264.413 3.109 20 10 CGCDRO Oc1ccccc1C[NH2+]C[C@@H](O)c1cc(F)cc(Cl)c1 ZINC000785616737 628875058 /nfs/dbraw/zinc/87/50/58/628875058.db2.gz URVAJRCSRGHBOY-OAHLLOKOSA-N 1 0 295.741 3.008 20 10 CGCDRO C[N@@H+](Cc1ccccc1O)C[C@@H]1CCC(F)(F)C1 ZINC000787730768 629025795 /nfs/dbraw/zinc/02/57/95/629025795.db2.gz MYSAGPGOTJKLLO-LLVKDONJSA-N 1 0 255.308 3.259 20 10 CGCDRO CCCCOCC[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000788576333 629065652 /nfs/dbraw/zinc/06/56/52/629065652.db2.gz ZBYJKNIYRPWZKK-CQSZACIVSA-N 1 0 265.397 3.476 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2cccnc2F)c(O)c1 ZINC000788806710 629083106 /nfs/dbraw/zinc/08/31/06/629083106.db2.gz PXLDCRZVCZSQJK-LBPRGKRZSA-N 1 0 274.339 3.394 20 10 CGCDRO C[C@@H](O)CCC[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000789307489 629123041 /nfs/dbraw/zinc/12/30/41/629123041.db2.gz ZIDMEIVWWZFZOP-MRXNPFEDSA-N 1 0 290.451 3.270 20 10 CGCDRO COc1cc(C[N@@H+]2CCSCC[C@H]2C)c(O)cc1C ZINC000790479925 629212417 /nfs/dbraw/zinc/21/24/17/629212417.db2.gz IESZIWZAJHUKBQ-GFCCVEGCSA-N 1 0 281.421 3.037 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2N(C)CCCC2(C)C)c1 ZINC000790498877 629214005 /nfs/dbraw/zinc/21/40/05/629214005.db2.gz VCMBNVXYACZISC-WMLDXEAASA-N 1 0 290.451 3.472 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C2(COC)CCC2)cc1F ZINC000790652607 629223145 /nfs/dbraw/zinc/22/31/45/629223145.db2.gz MHJVVGNOTSZKKJ-UHFFFAOYSA-N 1 0 294.414 3.331 20 10 CGCDRO CCOc1ccc(C[N@H+](C)Cc2ccn(CC)c2)c(O)c1 ZINC000792184504 629345809 /nfs/dbraw/zinc/34/58/09/629345809.db2.gz VXCOUDYTGSHKPB-UHFFFAOYSA-N 1 0 288.391 3.244 20 10 CGCDRO CC[C@@H]1CC[N@@H+]1Cc1c(O)cccc1Br ZINC000862377242 629357234 /nfs/dbraw/zinc/35/72/34/629357234.db2.gz OKDFJBQSZLJKCV-SECBINFHSA-N 1 0 270.170 3.139 20 10 CGCDRO COc1ccc(O)c(C[NH+]2C[C@H](C)C(F)(F)[C@@H](C)C2)c1 ZINC000862442255 629374251 /nfs/dbraw/zinc/37/42/51/629374251.db2.gz GZQJGAKAGVLUMO-QWRGUYRKSA-N 1 0 285.334 3.124 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)c(C(F)(F)F)c1 ZINC000862442671 629375767 /nfs/dbraw/zinc/37/57/67/629375767.db2.gz FIHYQODFCQCHIK-TXEJJXNPSA-N 1 0 284.325 3.223 20 10 CGCDRO Oc1cc(OCc2ccccc2)ccc1C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000862442512 629375852 /nfs/dbraw/zinc/37/58/52/629375852.db2.gz DBMIJGBESMXNMV-CALCHBBNSA-N 1 0 295.382 3.423 20 10 CGCDRO COc1cc(Cl)cc(C[NH+]2CC(C(C)C)C2)c1O ZINC000793188104 629425465 /nfs/dbraw/zinc/42/54/65/629425465.db2.gz CAFSGMVYOOREEH-UHFFFAOYSA-N 1 0 269.772 3.142 20 10 CGCDRO Cc1cc(Cl)cc(C[N@H+]2C[C@H](C)O[C@@H](C3CC3)C2)c1O ZINC000793214795 629429686 /nfs/dbraw/zinc/42/96/86/629429686.db2.gz RGJVOSSYDDCOBZ-XHDPSFHLSA-N 1 0 295.810 3.353 20 10 CGCDRO COC(=O)CC1([NH2+]Cc2cc(Cl)ccc2O)CCCC1 ZINC000793230499 629432387 /nfs/dbraw/zinc/43/23/87/629432387.db2.gz FZZSDJZGANNZFS-UHFFFAOYSA-N 1 0 297.782 3.011 20 10 CGCDRO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccccc1O ZINC000793232607 629433330 /nfs/dbraw/zinc/43/33/30/629433330.db2.gz ZKWOMNIINIZXDQ-KOLCDFICSA-N 1 0 259.271 3.165 20 10 CGCDRO COc1cccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)c1O ZINC000793232564 629433428 /nfs/dbraw/zinc/43/34/28/629433428.db2.gz YMWJDZHSDNMNBM-GXSJLCMTSA-N 1 0 289.297 3.174 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+]Cc2cccnc2F)c1O ZINC000793281363 629438203 /nfs/dbraw/zinc/43/82/03/629438203.db2.gz OPGVXLLFABWPFB-UHFFFAOYSA-N 1 0 280.730 3.178 20 10 CGCDRO C[C@@]12CC[N@H+](Cc3cc4c(cc3O)CCC4)C[C@@H]1C2(F)F ZINC000793534705 629478244 /nfs/dbraw/zinc/47/82/44/629478244.db2.gz UZSNWFVJUWWKTM-JKSUJKDBSA-N 1 0 293.357 3.358 20 10 CGCDRO COc1cc(C)cc(C[NH+]2C[C@H](C)C(F)(F)[C@@H](C)C2)c1O ZINC000863274408 629518203 /nfs/dbraw/zinc/51/82/03/629518203.db2.gz JSMOOZPDNNFWIH-RYUDHWBXSA-N 1 0 299.361 3.432 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@H+]2C[C@H](C)O[C@@H](C3CC3)C2)c1 ZINC000794656283 629563590 /nfs/dbraw/zinc/56/35/90/629563590.db2.gz SRVHAIWJMGNHLF-XJKSGUPXSA-N 1 0 275.392 3.008 20 10 CGCDRO CC[C@H]([NH2+]CCN1CCC[C@H]1C)c1ccc(C)cc1O ZINC000794804930 629578912 /nfs/dbraw/zinc/57/89/12/629578912.db2.gz WHLJLXVRBCUMGU-ZBFHGGJFSA-N 1 0 276.424 3.226 20 10 CGCDRO CCc1cc(C[NH2+][C@H](CC)c2ccc(C)cc2O)on1 ZINC000794803066 629578928 /nfs/dbraw/zinc/57/89/28/629578928.db2.gz QLOCVYSFNMCFNA-OAHLLOKOSA-N 1 0 274.364 3.492 20 10 CGCDRO CCN(CC)[C@H](C)C[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000794829065 629583144 /nfs/dbraw/zinc/58/31/44/629583144.db2.gz DKDDNCDDEKAKCI-HIFRSBDPSA-N 1 0 278.440 3.390 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]Cc2cccnc2F)c2c1c(F)ccc2O ZINC000794832112 629584425 /nfs/dbraw/zinc/58/44/25/629584425.db2.gz CEVDEBUGIKJJKZ-SKDRFNHKSA-N 1 0 290.313 3.404 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H]2CCC[C@H]2C)c1 ZINC000798503349 630060627 /nfs/dbraw/zinc/06/06/27/630060627.db2.gz IKIIWENCSUJBTQ-OLZOCXBDSA-N 1 0 263.381 3.317 20 10 CGCDRO CCOc1ccc(O)c(C[N@H+](C)Cc2ccsc2)c1 ZINC000120485067 630061523 /nfs/dbraw/zinc/06/15/23/630061523.db2.gz NIFQHSILYXMAAC-UHFFFAOYSA-N 1 0 277.389 3.484 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC=C(Br)C2)cc1C ZINC000799574895 630200051 /nfs/dbraw/zinc/20/00/51/630200051.db2.gz PQVVZCPPNKOZCX-UHFFFAOYSA-N 1 0 296.208 3.494 20 10 CGCDRO COCC1(C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)CCC1 ZINC000800493095 630287796 /nfs/dbraw/zinc/28/77/96/630287796.db2.gz JFSKGMNLQNQXOZ-AAEUAGOBSA-N 1 0 293.382 3.486 20 10 CGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@H](C)COC(C)C ZINC000800525330 630290896 /nfs/dbraw/zinc/29/08/96/630290896.db2.gz UDLJQRXHQSKJNV-CQSZACIVSA-N 1 0 264.413 3.175 20 10 CGCDRO CCOc1ccc(C[NH2+]CC(C)(C)C(F)(F)F)c(O)c1 ZINC000800888789 630309145 /nfs/dbraw/zinc/30/91/45/630309145.db2.gz JXGWGXICESNKME-UHFFFAOYSA-N 1 0 291.313 3.469 20 10 CGCDRO CC[C@@H]([NH2+]CCCOC(F)F)c1ccc(C)cc1O ZINC000800989298 630317707 /nfs/dbraw/zinc/31/77/07/630317707.db2.gz AJUBTONYRMPSGJ-GFCCVEGCSA-N 1 0 273.323 3.371 20 10 CGCDRO CCCC[N@@H+](Cc1ccccc1O)Cc1ncc(C)cn1 ZINC000801595260 630346974 /nfs/dbraw/zinc/34/69/74/630346974.db2.gz ZWQFULUKICNQLD-UHFFFAOYSA-N 1 0 285.391 3.293 20 10 CGCDRO CCOCC[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808678193 630663085 /nfs/dbraw/zinc/66/30/85/630663085.db2.gz NDAZPTZJNUTFTP-JTQLQIEISA-N 1 0 257.761 3.041 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](C2CC2)N(C)C)c1O ZINC000808678433 630663840 /nfs/dbraw/zinc/66/38/40/630663840.db2.gz REOFWNDFYLXGOL-IAQYHMDHSA-N 1 0 296.842 3.345 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](O)CC(C)C)c1O ZINC000808687884 630664527 /nfs/dbraw/zinc/66/45/27/630664527.db2.gz VSXKIJKHASAEEI-WCQYABFASA-N 1 0 285.815 3.412 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2CCOCC2)c1O ZINC000808688868 630664555 /nfs/dbraw/zinc/66/45/55/630664555.db2.gz WBZILWUKJBMYIO-LLVKDONJSA-N 1 0 283.799 3.431 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@](C)(O)C(C)C)c1O ZINC000808694264 630665159 /nfs/dbraw/zinc/66/51/59/630665159.db2.gz BLOFJIJLTYTSNO-ABAIWWIYSA-N 1 0 285.815 3.412 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](CCO)C(C)C)c1O ZINC000808699455 630666182 /nfs/dbraw/zinc/66/61/82/630666182.db2.gz HHMHAXRECTVIHL-BXUZGUMPSA-N 1 0 285.815 3.412 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCN2CC[C@@H](C)C2)c1O ZINC000808701197 630666497 /nfs/dbraw/zinc/66/64/97/630666497.db2.gz YNJQQARZUQBBLR-YPMHNXCESA-N 1 0 296.842 3.346 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)[C@@H]2CCOC2)c1O ZINC000808699739 630666613 /nfs/dbraw/zinc/66/66/13/630666613.db2.gz PBJCFORVGKXYMZ-GRYCIOLGSA-N 1 0 283.799 3.430 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C[C@@H](O)C(C)(C)C)C2CC2)cc1 ZINC000808711054 630669011 /nfs/dbraw/zinc/66/90/11/630669011.db2.gz SXWFUCIKRWAXAG-QGZVFWFLSA-N 1 0 290.451 3.124 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCCc3occc3C2)cc1 ZINC000808795381 630678932 /nfs/dbraw/zinc/67/89/32/630678932.db2.gz MJPLFJZLBDFVFY-UHFFFAOYSA-N 1 0 270.376 3.294 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000809728673 630793683 /nfs/dbraw/zinc/79/36/83/630793683.db2.gz FHSVHQOVUQHJIY-HNNXBMFYSA-N 1 0 284.359 3.133 20 10 CGCDRO COc1cccc(C[NH2+]Cc2cnc(C(C)C)s2)c1O ZINC000809739901 630796065 /nfs/dbraw/zinc/79/60/65/630796065.db2.gz WHFPEIARPIIIKR-UHFFFAOYSA-N 1 0 292.404 3.271 20 10 CGCDRO COc1cccc(C[NH2+]C/C=C/c2ccc(F)cc2)c1O ZINC000809739954 630796295 /nfs/dbraw/zinc/79/62/95/630796295.db2.gz IAONIDJSUJLKCH-ONEGZZNKSA-N 1 0 287.334 3.343 20 10 CGCDRO CC[C@H](CSC)[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000809767099 630802147 /nfs/dbraw/zinc/80/21/47/630802147.db2.gz GFOCFPADGJVUMT-CYBMUJFWSA-N 1 0 284.444 3.465 20 10 CGCDRO CCCN(CC)C[C@H](C)[NH2+]Cc1cc(C)c(C)cc1O ZINC000810181344 630851107 /nfs/dbraw/zinc/85/11/07/630851107.db2.gz YXSIRGJABNGOLX-HNNXBMFYSA-N 1 0 278.440 3.219 20 10 CGCDRO Oc1ccc(F)cc1C[N@@H+]1CC2(CCC2)[C@@H]1C1CC1 ZINC000811513543 631081964 /nfs/dbraw/zinc/08/19/64/631081964.db2.gz KAQYJFDNWGCZJR-HNNXBMFYSA-N 1 0 261.340 3.296 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2c3c(nn2C)CCCC3)c1 ZINC000812736969 631300228 /nfs/dbraw/zinc/30/02/28/631300228.db2.gz KQALYOWARCJGPB-ZDUSSCGKSA-N 1 0 299.418 3.164 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](O)C2(C)C)cc1F ZINC000812779625 631307263 /nfs/dbraw/zinc/30/72/63/631307263.db2.gz UEQCZSXJTNNLHU-MRXNPFEDSA-N 1 0 294.414 3.017 20 10 CGCDRO C[C@H]([NH2+][C@@H]1C[C@@H](C)[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000813854914 631470378 /nfs/dbraw/zinc/47/03/78/631470378.db2.gz ICJOHOQCSVUQNT-LDDOYCOJSA-N 1 0 288.435 3.218 20 10 CGCDRO Cc1cc(C[N@@H+]2CCC[C@@H](OC(F)F)C2)ccc1N(C)C ZINC000815085898 631713553 /nfs/dbraw/zinc/71/35/53/631713553.db2.gz FDSWPONGARNZBD-CQSZACIVSA-N 1 0 298.377 3.265 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)cc1 ZINC000815113561 631720254 /nfs/dbraw/zinc/72/02/54/631720254.db2.gz GXIAKOBHXSLFRL-ZWKOTPCHSA-N 1 0 288.435 3.286 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2c(F)cc(F)cc2F)c1 ZINC000815152876 631731962 /nfs/dbraw/zinc/73/19/62/631731962.db2.gz YPIZNPSZUJZUMB-UHFFFAOYSA-N 1 0 281.277 3.408 20 10 CGCDRO COc1cccc(O)c1C[NH2+]C[C@@H]1CCCC1(C)C ZINC000815164707 631735376 /nfs/dbraw/zinc/73/53/76/631735376.db2.gz ZYCQWEBBVHZCRB-LBPRGKRZSA-N 1 0 263.381 3.317 20 10 CGCDRO CCc1cc(C[NH2+][C@H](C)c2c(C)cc(C)cc2O)[nH]n1 ZINC000815580876 631799167 /nfs/dbraw/zinc/79/91/67/631799167.db2.gz SIMOFOHVUDCNMV-GFCCVEGCSA-N 1 0 273.380 3.145 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(F)cn2)c(O)c1 ZINC000815589237 631802417 /nfs/dbraw/zinc/80/24/17/631802417.db2.gz MEQNPIKXMRSSLZ-GFCCVEGCSA-N 1 0 274.339 3.394 20 10 CGCDRO CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000815601062 631804221 /nfs/dbraw/zinc/80/42/21/631804221.db2.gz MNTZNUYTJQYVRI-SQWLQELKSA-N 1 0 277.408 3.475 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CC[C@H]2CCOC2)c(O)c1 ZINC000815615632 631805952 /nfs/dbraw/zinc/80/59/52/631805952.db2.gz TVPSUOBQPNQGME-KGLIPLIRSA-N 1 0 263.381 3.086 20 10 CGCDRO Cc1cc(CN(C)Cc2ccc3ccccc3c2O)no1 ZINC000816489880 631991075 /nfs/dbraw/zinc/99/10/75/631991075.db2.gz GAXJYDLRLGPINQ-UHFFFAOYSA-N 1 0 282.343 3.474 20 10 CGCDRO CCOC1CC[NH+](Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816489461 631991717 /nfs/dbraw/zinc/99/17/17/631991717.db2.gz VGNTXFRHPDGTDQ-UHFFFAOYSA-N 1 0 287.762 3.186 20 10 CGCDRO C[C@H]1C[N@H+](Cc2ccc3ccccc3c2O)CCCO1 ZINC000816502598 631995915 /nfs/dbraw/zinc/99/59/15/631995915.db2.gz IRBHDYQHOUGBIH-ZDUSSCGKSA-N 1 0 271.360 3.156 20 10 CGCDRO Oc1c(C[NH2+]CCc2cccnc2)ccc2ccccc21 ZINC000816534238 632005672 /nfs/dbraw/zinc/00/56/72/632005672.db2.gz BVIOXCUJWNSLSZ-UHFFFAOYSA-N 1 0 278.355 3.273 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc3ccccc3c2O)CN1C1CC1 ZINC000816556643 632011953 /nfs/dbraw/zinc/01/19/53/632011953.db2.gz PVTKHVWKRKBFDU-CZUORRHYSA-N 1 0 296.414 3.260 20 10 CGCDRO CO[C@@H]1C[N@H+](Cc2ccc3ccccc3c2O)CC[C@@H]1C ZINC000816586423 632017960 /nfs/dbraw/zinc/01/79/60/632017960.db2.gz HMFZYTGAHDSWCQ-SUMWQHHRSA-N 1 0 285.387 3.402 20 10 CGCDRO Oc1c(C[NH2+]CCOC(F)(F)F)ccc2ccccc21 ZINC000816589817 632019715 /nfs/dbraw/zinc/01/97/15/632019715.db2.gz JOZKIXLPOCOQGH-UHFFFAOYSA-N 1 0 285.265 3.171 20 10 CGCDRO CC(C)C1([NH2+]Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816644452 632031647 /nfs/dbraw/zinc/03/16/47/632031647.db2.gz NDJZJMIMCLCISV-UHFFFAOYSA-N 1 0 257.736 3.463 20 10 CGCDRO CSC1CC[NH+](Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000879098392 635702737 /nfs/dbraw/zinc/70/27/37/635702737.db2.gz BBGIIUDSOUNPFN-UHFFFAOYSA-N 1 0 278.465 3.388 20 10 CGCDRO CCOc1ccc(O)c(C[NH+]2C[C@@H](CC)O[C@H](CC)C2)c1 ZINC000817413517 632143423 /nfs/dbraw/zinc/14/34/23/632143423.db2.gz YRDPEGUYBAIFJB-HUUCEWRRSA-N 1 0 293.407 3.180 20 10 CGCDRO C[C@H]([NH2+]C1CC[NH2+]CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817937634 632237417 /nfs/dbraw/zinc/23/74/17/632237417.db2.gz YPKNETCFLCFMPC-QMMMGPOBSA-N 1 0 289.206 3.102 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cccc(Cl)c1[O-] ZINC000817946446 632243647 /nfs/dbraw/zinc/24/36/47/632243647.db2.gz XFESRLMFTWLPAN-SMDDNHRTSA-N 1 0 282.815 3.086 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](N)c2ccccc2)c(O)c1 ZINC000817955590 632250488 /nfs/dbraw/zinc/25/04/88/632250488.db2.gz ZMUCBXNVSALKNJ-ZBFHGGJFSA-N 1 0 284.403 3.360 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H](N)c2ccccc2)c(O)c1 ZINC000817955589 632250534 /nfs/dbraw/zinc/25/05/34/632250534.db2.gz ZMUCBXNVSALKNJ-HOCLYGCPSA-N 1 0 284.403 3.360 20 10 CGCDRO C[C@H]([NH2+]CCc1ccc(N)cc1)c1ccc(F)c(F)c1 ZINC000817956285 632251053 /nfs/dbraw/zinc/25/10/53/632251053.db2.gz VQOKNTXIHHXWNH-NSHDSACASA-N 1 0 276.330 3.440 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCc2ccc(N)cc2)cc1 ZINC000817955820 632251146 /nfs/dbraw/zinc/25/11/46/632251146.db2.gz ILIHPELSCIYRMK-CQSZACIVSA-N 1 0 254.377 3.471 20 10 CGCDRO CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CCc1ccc(N)cc1 ZINC000817958218 632253912 /nfs/dbraw/zinc/25/39/12/632253912.db2.gz TXIAAZAZBGDBDO-RDTXWAMCSA-N 1 0 284.403 3.177 20 10 CGCDRO CC[C@H]([NH2+]CC(C)(C)[NH3+])c1ccc(Cl)c(Cl)c1[O-] ZINC000817960666 632256566 /nfs/dbraw/zinc/25/65/66/632256566.db2.gz PKALUWXPSVAXKJ-JTQLQIEISA-N 1 0 291.222 3.477 20 10 CGCDRO CCCC[C@@H](CN)[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000817963582 632258417 /nfs/dbraw/zinc/25/84/17/632258417.db2.gz VJHYEGLNUFHRFQ-KGLIPLIRSA-N 1 0 264.413 3.177 20 10 CGCDRO CC[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cccc(Cl)c1[O-] ZINC000817966488 632261291 /nfs/dbraw/zinc/26/12/91/632261291.db2.gz OWWBYUXWCZMTNL-GDBMZVCRSA-N 1 0 296.842 3.476 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2NCCc3ccccc32)c1 ZINC000817973392 632265794 /nfs/dbraw/zinc/26/57/94/632265794.db2.gz FCARSERIPFFPQG-RDTXWAMCSA-N 1 0 296.414 3.238 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1ccc(Cl)c(Cl)c1[O-] ZINC000817977837 632268473 /nfs/dbraw/zinc/26/84/73/632268473.db2.gz QESOCVIZPZILDG-DTWKUNHWSA-N 1 0 291.222 3.477 20 10 CGCDRO C[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000817977824 632268498 /nfs/dbraw/zinc/26/84/98/632268498.db2.gz PYJPMJTUEFATEA-IUCAKERBSA-N 1 0 291.222 3.477 20 10 CGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CC[C@H](C)C3)C2)cc1 ZINC000818219220 632299222 /nfs/dbraw/zinc/29/92/22/632299222.db2.gz ANVYHBXWACSFAR-XHSDSOJGSA-N 1 0 288.435 3.300 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)C[C@]2(C)CCCS2)cc1 ZINC000820850771 632686711 /nfs/dbraw/zinc/68/67/11/632686711.db2.gz HDXNEOYHRPYWGS-INIZCTEOSA-N 1 0 278.465 3.470 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000865755030 632879512 /nfs/dbraw/zinc/87/95/12/632879512.db2.gz VIXNCPDQZRLAOW-VXNVDRBHSA-N 1 0 265.662 3.086 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@H](C2CCC2)[C@H]2CCOC2)cc1 ZINC000865762170 632883217 /nfs/dbraw/zinc/88/32/17/632883217.db2.gz WQBFRVTZXHTUPJ-FUHWJXTLSA-N 1 0 288.435 3.047 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+][C@@H]1C[C@]1(F)c1ccccc1 ZINC000822497947 632949196 /nfs/dbraw/zinc/94/91/96/632949196.db2.gz PFPBRGVJQXUIJF-CVEARBPZSA-N 1 0 275.298 3.258 20 10 CGCDRO [O-]c1c(F)cc(Cl)cc1C[NH+]1CC(CC(F)F)C1 ZINC000822520517 632960068 /nfs/dbraw/zinc/96/00/68/632960068.db2.gz DZMQHFIVYKEAQU-UHFFFAOYSA-N 1 0 279.689 3.272 20 10 CGCDRO COCC1CCC([NH2+]Cc2ccc(N(C)C)cc2C)CC1 ZINC000823851683 633158656 /nfs/dbraw/zinc/15/86/56/633158656.db2.gz VZDQPVTZKDSSTK-UHFFFAOYSA-N 1 0 290.451 3.356 20 10 CGCDRO C[C@H]([NH2+][C@H](C1CCC1)[C@@H]1CCCO1)c1ccccc1O ZINC000866491755 633159405 /nfs/dbraw/zinc/15/94/05/633159405.db2.gz XZHUVAJLAJPWEG-AFAVFJNCSA-N 1 0 275.392 3.391 20 10 CGCDRO C[C@H]([NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F)c1ccnn1C ZINC000866614251 633214440 /nfs/dbraw/zinc/21/44/40/633214440.db2.gz LVWLVUQSYZHXJO-JFGNBEQYSA-N 1 0 289.354 3.164 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1ccnn1C)c1cc2c(cc1O)CCCC2 ZINC000866615910 633215196 /nfs/dbraw/zinc/21/51/96/633215196.db2.gz XTKDVSGQMTZSIT-OLZOCXBDSA-N 1 0 299.418 3.416 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1CCCC[C@@H]1O)c1cc(Cl)ccc1O ZINC000866639006 633227094 /nfs/dbraw/zinc/22/70/94/633227094.db2.gz NIUQIJWPFXJTCG-NFAWXSAZSA-N 1 0 283.799 3.390 20 10 CGCDRO COc1ccc2c(c1)C[N@@H+](Cc1cc(C)ccc1O)CCO2 ZINC000824909912 633304231 /nfs/dbraw/zinc/30/42/31/633304231.db2.gz RMOZDGVXFGSMKZ-UHFFFAOYSA-N 1 0 299.370 3.104 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2C[C@H](C3CC3)[C@@H]2C2CC2)c1 ZINC000824940724 633308627 /nfs/dbraw/zinc/30/86/27/633308627.db2.gz BFKZZNXWWSEJLG-WBVHZDCISA-N 1 0 273.376 3.021 20 10 CGCDRO Oc1ccc(F)cc1C[N@@H+]1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000824941115 633309281 /nfs/dbraw/zinc/30/92/81/633309281.db2.gz IZKGAZILCDIDNW-GDBMZVCRSA-N 1 0 261.340 3.152 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCO[C@@H](c3ccncc3)C2)c1 ZINC000824954397 633310024 /nfs/dbraw/zinc/31/00/24/633310024.db2.gz PZSOFUOJOHAAQP-SJLPKXTDSA-N 1 0 298.386 3.106 20 10 CGCDRO CCc1cc(C[NH2+]Cc2cc(Cl)c(C)cc2O)on1 ZINC000825037937 633320802 /nfs/dbraw/zinc/32/08/02/633320802.db2.gz LLFOEJSXYRYXIS-UHFFFAOYSA-N 1 0 280.755 3.194 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C2CCc3ccccc3CC2)c1 ZINC000825045740 633322154 /nfs/dbraw/zinc/32/21/54/633322154.db2.gz KGENGRCDROLZDF-UHFFFAOYSA-N 1 0 297.398 3.438 20 10 CGCDRO Oc1c(C[NH2+]CCC[C@H]2CCOC2)ccc2ccccc21 ZINC000825145127 633332589 /nfs/dbraw/zinc/33/25/89/633332589.db2.gz VSPZATIVQKPCIT-AWEZNQCLSA-N 1 0 285.387 3.452 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]Cc1cnc(C2CC2)o1 ZINC000825172260 633333981 /nfs/dbraw/zinc/33/39/81/633333981.db2.gz NERKMJQCHJVFQJ-UHFFFAOYSA-N 1 0 278.739 3.201 20 10 CGCDRO Cc1cccnc1CCC[NH2+]Cc1cc(Cl)ccc1O ZINC000822118921 633352261 /nfs/dbraw/zinc/35/22/61/633352261.db2.gz GDMIFHJDQISNRZ-UHFFFAOYSA-N 1 0 290.794 3.471 20 10 CGCDRO Cc1cc(O)c(C[N@H+](C)Cc2ccncc2)cc1Cl ZINC000825500463 633358362 /nfs/dbraw/zinc/35/83/62/633358362.db2.gz CDZABIAYCPXOTD-UHFFFAOYSA-N 1 0 276.767 3.381 20 10 CGCDRO CC[C@H](C)C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000122304500 633365716 /nfs/dbraw/zinc/36/57/16/633365716.db2.gz RGAHAVHPKXBDMC-AWEZNQCLSA-N 1 0 276.424 3.300 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@]3(C2)CCCOC3)cc1Cl ZINC000825842609 633383498 /nfs/dbraw/zinc/38/34/98/633383498.db2.gz ASXQZSCHHBFUSZ-INIZCTEOSA-N 1 0 295.810 3.357 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@]2(C)CCCO)cc1Cl ZINC000825928348 633388432 /nfs/dbraw/zinc/38/84/32/633388432.db2.gz RVTDDBUASRGCGU-MRXNPFEDSA-N 1 0 297.826 3.481 20 10 CGCDRO Cc1cc(O)c(C[N@@H+](C)C2CCC(CO)CC2)cc1Cl ZINC000825934416 633389980 /nfs/dbraw/zinc/38/99/80/633389980.db2.gz IUBGXDZUHTXICF-UHFFFAOYSA-N 1 0 297.826 3.337 20 10 CGCDRO CC[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)c(C)cc2O)CCO1 ZINC000826130522 633407757 /nfs/dbraw/zinc/40/77/57/633407757.db2.gz JDZDNNDCNUAZTC-QWHCGFSZSA-N 1 0 283.799 3.401 20 10 CGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@H]3CCC[C@@H]4C[C@@H]43)C2)cc1 ZINC000826844917 633437001 /nfs/dbraw/zinc/43/70/01/633437001.db2.gz BVFSMYMDGTWVST-KNCCTNLNSA-N 1 0 286.419 3.052 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+][C@H]2CCN(C(C)(C)C)C2)c1O ZINC000826866803 633439012 /nfs/dbraw/zinc/43/90/12/633439012.db2.gz DTMZLGYNBXMFJP-AWEZNQCLSA-N 1 0 296.842 3.316 20 10 CGCDRO COC(C)(C)C[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000122716019 633495283 /nfs/dbraw/zinc/49/52/83/633495283.db2.gz VFGOYQLAODOWGR-CQSZACIVSA-N 1 0 278.440 3.354 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCCc1ccco1 ZINC000827674060 633509647 /nfs/dbraw/zinc/50/96/47/633509647.db2.gz KWDQDCRDSNFOHG-UHFFFAOYSA-N 1 0 272.392 3.376 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+][C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21 ZINC000827704021 633511322 /nfs/dbraw/zinc/51/13/22/633511322.db2.gz AVZYUOYIDXBNGC-HYVNUMGLSA-N 1 0 287.309 3.098 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)CC(F)(F)F ZINC000122802773 633515578 /nfs/dbraw/zinc/51/55/78/633515578.db2.gz SRGWYRMQQGQWRX-NSHDSACASA-N 1 0 274.330 3.492 20 10 CGCDRO CCc1cccc(C[N@H+](C)CC2=CCSC2)c1O ZINC000827812244 633520173 /nfs/dbraw/zinc/52/01/73/633520173.db2.gz HAMOJYFVEZHYCG-UHFFFAOYSA-N 1 0 263.406 3.060 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](c1ccccc1)[C@H](C)O ZINC000827857019 633526776 /nfs/dbraw/zinc/52/67/76/633526776.db2.gz WGCICPOTZZFBSL-HNAYVOBHSA-N 1 0 298.430 3.273 20 10 CGCDRO C[C@H](NC(=O)CC[C@H]([NH3+])c1ccccc1)c1ccccc1O ZINC000870988064 633673344 /nfs/dbraw/zinc/67/33/44/633673344.db2.gz FMDNEJSGDHDJHG-BBRMVZONSA-N 1 0 298.386 3.050 20 10 CGCDRO CCC[C@H](C)[C@H](CO)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000846184198 636154596 /nfs/dbraw/zinc/15/45/96/636154596.db2.gz RJNIYEVIDKZSJA-ZQIUZPCESA-N 1 0 278.440 3.200 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1)c1ccccc1O ZINC000872109623 634034757 /nfs/dbraw/zinc/03/47/57/634034757.db2.gz PBTXYYXPVZTUCB-WFGGJUAMSA-N 1 0 261.365 3.000 20 10 CGCDRO CCc1cnc(CC[NH2+][C@H]2CCc3cccc(O)c32)s1 ZINC000834607171 634196897 /nfs/dbraw/zinc/19/68/97/634196897.db2.gz RYPSEPWVLNCANI-ZDUSSCGKSA-N 1 0 288.416 3.231 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]CCNc1ccccc1)CC2 ZINC000834617148 634197987 /nfs/dbraw/zinc/19/79/87/634197987.db2.gz WPLJKOAQKYVEIS-OAHLLOKOSA-N 1 0 268.360 3.081 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1CCc2cccc(O)c21)C1CCOCC1 ZINC000834613082 634198444 /nfs/dbraw/zinc/19/84/44/634198444.db2.gz YSCSEDFMPZPHJM-HUUCEWRRSA-N 1 0 275.392 3.174 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+][C@@H]1CCc3ccccc3OC1)CC2 ZINC000834793883 634243771 /nfs/dbraw/zinc/24/37/71/634243771.db2.gz IPGYWGSDPDYPKE-HZPDHXFCSA-N 1 0 295.382 3.363 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](C)C2CCC2)cc1Cn1cccn1 ZINC000873097968 634245973 /nfs/dbraw/zinc/24/59/73/634245973.db2.gz GZEDSMYCJYZJDY-AWEZNQCLSA-N 1 0 299.418 3.218 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@H]2CCO[C@H](C)C2)cc1C ZINC000873099231 634246089 /nfs/dbraw/zinc/24/60/89/634246089.db2.gz UBFQGQLPYRIJKH-ZBFHGGJFSA-N 1 0 277.408 3.441 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](CC)c1cc(Cl)ccc1O)[C@H](C)O ZINC000834888201 634268856 /nfs/dbraw/zinc/26/88/56/634268856.db2.gz NNSVFKFMUXISRF-BIMULSAOSA-N 1 0 271.788 3.246 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1)[C@@H](C)O ZINC000834887715 634269142 /nfs/dbraw/zinc/26/91/42/634269142.db2.gz LLRFHKNJMACJFV-DAYGRLMNSA-N 1 0 290.451 3.487 20 10 CGCDRO CCc1ncc(C[NH2+][C@H](C)c2ccc(C)c(C)c2O)o1 ZINC000834899595 634276826 /nfs/dbraw/zinc/27/68/26/634276826.db2.gz LBIHPIJYXQKATN-GFCCVEGCSA-N 1 0 274.364 3.410 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+][C@H]2COCC2(C)C)c2c1c(F)ccc2O ZINC000834904895 634281651 /nfs/dbraw/zinc/28/16/51/634281651.db2.gz PWAIPPFKHKTDCT-XWIASGKRSA-N 1 0 279.355 3.094 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1CCOC(C)(C)C1)c1cc(F)ccc1O ZINC000834912936 634285664 /nfs/dbraw/zinc/28/56/64/634285664.db2.gz YGXJLWDCOCJYNC-VXGBXAGGSA-N 1 0 281.371 3.387 20 10 CGCDRO CCO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000834914585 634286629 /nfs/dbraw/zinc/28/66/29/634286629.db2.gz VHNLHJXLWZZOQC-JGGQBBKZSA-N 1 0 263.381 3.309 20 10 CGCDRO CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000873224261 634290874 /nfs/dbraw/zinc/29/08/74/634290874.db2.gz YQVKCIWIVDRARE-MRXNPFEDSA-N 1 0 296.842 3.243 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2Cc3ccccc3CN2)c1 ZINC000873293260 634323764 /nfs/dbraw/zinc/32/37/64/634323764.db2.gz JXXDSMZFRBPSAJ-WMLDXEAASA-N 1 0 296.414 3.066 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+]CCc2ccco2)cc1 ZINC000835033791 634327092 /nfs/dbraw/zinc/32/70/92/634327092.db2.gz KRLKGWVDQDWXTA-HWKANZROSA-N 1 0 270.376 3.191 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@H](CO)c2ccccc2)cc1 ZINC000835039122 634328673 /nfs/dbraw/zinc/32/86/73/634328673.db2.gz GLOSDIWXSNLUON-LIXSYLKWSA-N 1 0 296.414 3.089 20 10 CGCDRO C[C@H]([NH2+]C/C=C\c1ccc(N(C)C)cc1)[C@H]1CCCOC1 ZINC000835044031 634331382 /nfs/dbraw/zinc/33/13/82/634331382.db2.gz GKOOGCMPPMKAKL-KAUISWQESA-N 1 0 288.435 3.171 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+]C2CCC(C)(O)CC2)cc1 ZINC000835043867 634331446 /nfs/dbraw/zinc/33/14/46/634331446.db2.gz UPVLCTBWJHTZDX-PLNGDYQASA-N 1 0 288.435 3.049 20 10 CGCDRO COC[C@]1(C)CC[N@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835053954 634338560 /nfs/dbraw/zinc/33/85/60/634338560.db2.gz GFJKGJXWXULCMR-DUMMIQTOSA-N 1 0 288.435 3.124 20 10 CGCDRO CC[N@H+](C/C=C/c1ccc(N(C)C)cc1)C[C@@H](C)OC ZINC000835055750 634339876 /nfs/dbraw/zinc/33/98/76/634339876.db2.gz OGQRHLFECVNODJ-MVGZEHJDSA-N 1 0 276.424 3.123 20 10 CGCDRO C[C@@H]1CC[C@H](C[NH2+]Cc2ccc3ccccc3c2O)O1 ZINC000835087993 634350401 /nfs/dbraw/zinc/35/04/01/634350401.db2.gz SGKGZWLURHQHPB-IUODEOHRSA-N 1 0 271.360 3.203 20 10 CGCDRO COCC[N@H+](Cc1cccs1)Cc1ccc(C)cc1O ZINC000876547191 634854999 /nfs/dbraw/zinc/85/49/99/634854999.db2.gz KGYZXBJZMGJWJH-UHFFFAOYSA-N 1 0 291.416 3.411 20 10 CGCDRO Cc1ncsc1C[N@@H+](C)Cc1c(C)cccc1O ZINC000876689031 634881065 /nfs/dbraw/zinc/88/10/65/634881065.db2.gz YXUODJZCCYLKLS-UHFFFAOYSA-N 1 0 262.378 3.098 20 10 CGCDRO Cc1ccc(C[NH+]2CCC(C(F)F)CC2)c(O)c1 ZINC000876743679 634890879 /nfs/dbraw/zinc/89/08/79/634890879.db2.gz KPLHQBPYXFBBQG-UHFFFAOYSA-N 1 0 255.308 3.178 20 10 CGCDRO Cc1ccc(C[N@H+](C)Cc2cccc(C)n2)c(O)c1 ZINC000876764030 634895018 /nfs/dbraw/zinc/89/50/18/634895018.db2.gz RTCIUWLMXGAWEE-UHFFFAOYSA-N 1 0 256.349 3.036 20 10 CGCDRO Cc1ccc(CNc2ccc(CC[NH+](C)C)cc2)c(O)c1 ZINC000876855646 634914874 /nfs/dbraw/zinc/91/48/74/634914874.db2.gz YGAKQXOVFAUXOQ-UHFFFAOYSA-N 1 0 284.403 3.417 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]Cc1ccc([C@H](C)O)cc1 ZINC000876967088 634940110 /nfs/dbraw/zinc/94/01/10/634940110.db2.gz CIFURVCZYVSZAU-ZDUSSCGKSA-N 1 0 271.360 3.044 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2ccc3c(c2)CCCN3C)c(O)c1 ZINC000876986920 634944390 /nfs/dbraw/zinc/94/43/90/634944390.db2.gz OQNOOFGHYATASR-UHFFFAOYSA-N 1 0 296.414 3.373 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CC2(Cl)Cl)cc1F ZINC000876989148 634945637 /nfs/dbraw/zinc/94/56/37/634945637.db2.gz PWYLLVHUTBTDDD-SNVBAGLBSA-N 1 0 291.197 3.175 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H]2CCOc3ccc(F)cc32)c(O)c1 ZINC000877008717 634948867 /nfs/dbraw/zinc/94/88/67/634948867.db2.gz WVJNPNQXLCISEE-OAHLLOKOSA-N 1 0 287.334 3.453 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H](C)CCc2cccn2C)c(O)c1 ZINC000877042521 634961776 /nfs/dbraw/zinc/96/17/76/634961776.db2.gz SESMXKOGPAKRSU-AWEZNQCLSA-N 1 0 272.392 3.150 20 10 CGCDRO CC(C)[C@H](C)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877050985 634963832 /nfs/dbraw/zinc/96/38/32/634963832.db2.gz QELFDWOITIOTRA-OAHLLOKOSA-N 1 0 290.451 3.029 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]C[C@H](C[C@H](C)O)c1ccccc1 ZINC000877093204 634982138 /nfs/dbraw/zinc/98/21/38/634982138.db2.gz FVSJREMXGUMCQB-RDJZCZTQSA-N 1 0 299.414 3.345 20 10 CGCDRO Cc1ccc(C[NH2+]CCC[C@@H]2CCCCO2)c(O)c1 ZINC000877352347 635029615 /nfs/dbraw/zinc/02/96/15/635029615.db2.gz FKPMDUWFNMHWNI-HNNXBMFYSA-N 1 0 263.381 3.140 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)[C@H]1C[C@H]1C ZINC000840714583 635040436 /nfs/dbraw/zinc/04/04/36/635040436.db2.gz WAAQEIZQXICNBM-CPUCHLNUSA-N 1 0 258.409 3.421 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccn(CC)n1)c1ccc(N(C)C)cc1 ZINC000840839657 635061728 /nfs/dbraw/zinc/06/17/28/635061728.db2.gz PVGZAYKRUGBZJM-QGZVFWFLSA-N 1 0 286.423 3.210 20 10 CGCDRO CCn1ccc(C[NH2+][C@H](C)c2c(C)cc(C)cc2O)n1 ZINC000840841253 635062497 /nfs/dbraw/zinc/06/24/97/635062497.db2.gz YMHRIIFLVPAHJS-CYBMUJFWSA-N 1 0 273.380 3.076 20 10 CGCDRO Cc1cc(C)cc([C@H](O)C[NH2+]Cc2c(C)cccc2O)c1 ZINC000877503633 635063565 /nfs/dbraw/zinc/06/35/65/635063565.db2.gz RTAKSKASNRFHNJ-GOSISDBHSA-N 1 0 285.387 3.141 20 10 CGCDRO Cc1ccc(C[NH2+]CCC2C[C@H](C)O[C@@H](C)C2)c(O)c1 ZINC000877504756 635064853 /nfs/dbraw/zinc/06/48/53/635064853.db2.gz KCUQKDZEOKRQSB-KBPBESRZSA-N 1 0 277.408 3.384 20 10 CGCDRO CCc1ccc([C@@H](O)C[NH2+]Cc2c(C)cccc2O)cc1 ZINC000877514929 635065780 /nfs/dbraw/zinc/06/57/80/635065780.db2.gz QVWKEZXJYBGVCG-SFHVURJKSA-N 1 0 285.387 3.086 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)[C@@H](O)C(C)C ZINC000840878561 635071057 /nfs/dbraw/zinc/07/10/57/635071057.db2.gz GVIXYSMGUODLPV-JQFCIGGWSA-N 1 0 278.440 3.199 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(C)(C)OCC2CC2)c1 ZINC000840876048 635071467 /nfs/dbraw/zinc/07/14/67/635071467.db2.gz JBAYFVHDFDOMHK-GFCCVEGCSA-N 1 0 293.407 3.257 20 10 CGCDRO COc1cccc(C[NH2+]CCC(C)(C)SC)c1O ZINC000877526501 635072039 /nfs/dbraw/zinc/07/20/39/635072039.db2.gz SAWBSDXEDYPCGN-UHFFFAOYSA-N 1 0 269.410 3.022 20 10 CGCDRO COc1cccc(C[NH2+]Cc2ccc(C(F)F)nc2)c1O ZINC000877525523 635072324 /nfs/dbraw/zinc/07/23/24/635072324.db2.gz GKMFLSSZJYBEFW-UHFFFAOYSA-N 1 0 294.301 3.023 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)[C@H](O)C(C)C ZINC000840882125 635073440 /nfs/dbraw/zinc/07/34/40/635073440.db2.gz MKWAMVRJFRQNTP-VZJVUDMVSA-N 1 0 285.815 3.492 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCC(F)(F)[C@H]2O)c(O)c1C ZINC000840886958 635075790 /nfs/dbraw/zinc/07/57/90/635075790.db2.gz PDQUWMFTXOHUIP-KYOSRNDESA-N 1 0 299.361 3.208 20 10 CGCDRO Cc1ccc([C@@H](O)C[NH2+]Cc2c(O)cc(C)cc2Cl)o1 ZINC000840897734 635078080 /nfs/dbraw/zinc/07/80/80/635078080.db2.gz AFBDUKUAUQHJGR-AWEZNQCLSA-N 1 0 295.766 3.079 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCOC(C)(C)C2)c(Cl)c1 ZINC000840908164 635080099 /nfs/dbraw/zinc/08/00/99/635080099.db2.gz VPNAXHULDWDXSH-LLVKDONJSA-N 1 0 283.799 3.401 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCO[C@@H](C)C2)c(Cl)c1 ZINC000840908878 635080398 /nfs/dbraw/zinc/08/03/98/635080398.db2.gz YPMPVXQWZHSTLX-WDEREUQCSA-N 1 0 269.772 3.011 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2CCC[C@H]2C[C@@H](C)O)c(Cl)c1 ZINC000840917467 635083076 /nfs/dbraw/zinc/08/30/76/635083076.db2.gz MEABOKBMVOQSMQ-NEPJUHHUSA-N 1 0 283.799 3.089 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)[C@@H]1CCCCO1 ZINC000840936971 635085816 /nfs/dbraw/zinc/08/58/16/635085816.db2.gz PFGTWMTVCSXTAC-YOEHRIQHSA-N 1 0 276.424 3.108 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CC2(CCOCC2)[C@@H]1C1CC1 ZINC000877553476 635086825 /nfs/dbraw/zinc/08/68/25/635086825.db2.gz SYXACJOAFGQHNS-KRWDZBQOSA-N 1 0 287.403 3.092 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@H](C)C[C@@H]1[C@@H](C)O ZINC000840939760 635087538 /nfs/dbraw/zinc/08/75/38/635087538.db2.gz QDSGMNPEUCXHEA-JCKWVBRZSA-N 1 0 290.451 3.042 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CC1(C(F)(F)F)CC1 ZINC000840947389 635089509 /nfs/dbraw/zinc/08/95/09/635089509.db2.gz QJEFXZXVAMFMME-UHFFFAOYSA-N 1 0 286.341 3.493 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000840951306 635091328 /nfs/dbraw/zinc/09/13/28/635091328.db2.gz VYGHQWMJFYIBMY-QGZVFWFLSA-N 1 0 290.451 3.044 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@H+](C)Cc1ccc(O)cc1 ZINC000840948788 635091467 /nfs/dbraw/zinc/09/14/67/635091467.db2.gz KLPREZNJRHQTRO-UHFFFAOYSA-N 1 0 284.403 3.399 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1C[C@@H](OC(C)C)C1 ZINC000840952507 635092305 /nfs/dbraw/zinc/09/23/05/635092305.db2.gz CBIUEPCOXFTRLN-WOVMCDHWSA-N 1 0 276.424 3.107 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000840954030 635092532 /nfs/dbraw/zinc/09/25/32/635092532.db2.gz FPQRNMGGTCYALM-SFHVURJKSA-N 1 0 288.435 3.062 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]CC(C)(C)OCC2CC2)c1 ZINC000840960258 635094296 /nfs/dbraw/zinc/09/42/96/635094296.db2.gz JCONZFKWIZZBBA-UHFFFAOYSA-N 1 0 293.407 3.086 20 10 CGCDRO CC[C@H]([NH2+]C/C=C\c1ccc(N(C)C)cc1)[C@@H](O)C(C)C ZINC000840968040 635096019 /nfs/dbraw/zinc/09/60/19/635096019.db2.gz NDSKBNGEBUNTOT-OPDSQHBBSA-N 1 0 290.451 3.151 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CC3(CCOCC3)[C@H]2C(C)C)c1 ZINC000840969087 635096219 /nfs/dbraw/zinc/09/62/19/635096219.db2.gz HWJSXDVPKYFEPR-QGZVFWFLSA-N 1 0 289.419 3.338 20 10 CGCDRO CC[N@H+](Cc1occc1C)Cc1cccc(OC)c1O ZINC000840969951 635097195 /nfs/dbraw/zinc/09/71/95/635097195.db2.gz MJTKDYRMDGJRSP-UHFFFAOYSA-N 1 0 275.348 3.324 20 10 CGCDRO COC1([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2C)CCC1 ZINC000840970295 635097361 /nfs/dbraw/zinc/09/73/61/635097361.db2.gz SYROJHMIPBMIJH-CQSZACIVSA-N 1 0 276.424 3.108 20 10 CGCDRO COC1([C@@H](C)[NH2+]C/C=C/c2ccc(N(C)C)cc2)CCC1 ZINC000840970133 635097427 /nfs/dbraw/zinc/09/74/27/635097427.db2.gz QAWBMQIOMDENOM-KEDPEKRHSA-N 1 0 288.435 3.313 20 10 CGCDRO Cc1ccc(CNc2ccc3c([nH+]2)CCC3)c(O)c1 ZINC000877572722 635098676 /nfs/dbraw/zinc/09/86/76/635098676.db2.gz RWRZTEDEFDCCHQ-UHFFFAOYSA-N 1 0 254.333 3.196 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]CC(C)(C)c2cccnc2)c1 ZINC000840975338 635099058 /nfs/dbraw/zinc/09/90/58/635099058.db2.gz NIAOSMBPAHQVLO-UHFFFAOYSA-N 1 0 270.376 3.163 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](C3CCC3)C2)c1 ZINC000840979158 635099438 /nfs/dbraw/zinc/09/94/38/635099438.db2.gz WGUHLYBSVMAOCW-AWEZNQCLSA-N 1 0 275.392 3.413 20 10 CGCDRO Cc1ccc(C[N@@H+](C)C[C@](C)(O)c2ccccc2)c(O)c1 ZINC000877598294 635106659 /nfs/dbraw/zinc/10/66/59/635106659.db2.gz CVHRYKCTWSYLOH-SFHVURJKSA-N 1 0 285.387 3.040 20 10 CGCDRO Cc1ccc(C[NH2+]CC[C@@]2(C)C[C@]2(F)Cl)c(O)c1 ZINC000877611666 635112204 /nfs/dbraw/zinc/11/22/04/635112204.db2.gz XFUIEEGEMSYRQE-UONOGXRCSA-N 1 0 271.763 3.495 20 10 CGCDRO Cc1ccc(C[N@@H+]2CC[C@H](O)C[C@H]2c2ccccc2)c(O)c1 ZINC000877672720 635141380 /nfs/dbraw/zinc/14/13/80/635141380.db2.gz LLPHKDGDPCIIEE-ROUUACIJSA-N 1 0 297.398 3.399 20 10 CGCDRO Cc1ccc(C[NH2+]CC[C@@H]2CCCS2)c(O)c1 ZINC000877697284 635148886 /nfs/dbraw/zinc/14/88/86/635148886.db2.gz DUOVZPAOQIZLAO-ZDUSSCGKSA-N 1 0 251.395 3.076 20 10 CGCDRO CCOc1ccc(C[N@@H+]2Cc3cccc(O)c3C2)c(O)c1 ZINC000877703414 635155707 /nfs/dbraw/zinc/15/57/07/635155707.db2.gz HZAREXNIJVPNRW-UHFFFAOYSA-N 1 0 285.343 3.012 20 10 CGCDRO C[C@H]([NH2+][C@H](CO)CC(F)(F)F)c1ccc(Cl)cc1O ZINC000841747345 635223970 /nfs/dbraw/zinc/22/39/70/635223970.db2.gz AOFFAZSKUPPPEE-CBAPKCEASA-N 1 0 297.704 3.010 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1O)C(C)(C)O ZINC000841753370 635225467 /nfs/dbraw/zinc/22/54/67/635225467.db2.gz HGXHARXGLSWVFH-ZANVPECISA-N 1 0 271.788 3.246 20 10 CGCDRO C[C@H]([NH2+][C@H](CO)c1ccsc1)c1ccc(Cl)cc1O ZINC000841751021 635225629 /nfs/dbraw/zinc/22/56/29/635225629.db2.gz FAZAZCDIJFBVDI-TVQRCGJNSA-N 1 0 297.807 3.491 20 10 CGCDRO CC[C@@H](COC)[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841754217 635228513 /nfs/dbraw/zinc/22/85/13/635228513.db2.gz JAWGUGRJCXLXTD-KOLCDFICSA-N 1 0 257.761 3.121 20 10 CGCDRO CO[C@@H](C[NH2+][C@H](C)c1ccc(Cl)cc1O)C(C)C ZINC000841754171 635229191 /nfs/dbraw/zinc/22/91/91/635229191.db2.gz IELRJGGLJOSGGH-YGRLFVJLSA-N 1 0 271.788 3.367 20 10 CGCDRO CO[C@H](C[NH2+][C@@H](C)c1cc(C)ccc1O)CC(C)C ZINC000841755065 635229214 /nfs/dbraw/zinc/22/92/14/635229214.db2.gz GPVCYIAJZTUNNK-KBPBESRZSA-N 1 0 265.397 3.412 20 10 CGCDRO CSC[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841757910 635232176 /nfs/dbraw/zinc/23/21/76/635232176.db2.gz GILZDPRXVKVQES-BDAKNGLRSA-N 1 0 259.802 3.448 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2COCc3ccccc32)c1 ZINC000841760427 635232806 /nfs/dbraw/zinc/23/28/06/635232806.db2.gz KIPZIWHVBZPDDF-YVEFUNNKSA-N 1 0 299.370 3.323 20 10 CGCDRO CC[C@H]([NH2+]Cc1cccc(C)c1O)[C@@H](O)c1ccccc1 ZINC000877831982 635233007 /nfs/dbraw/zinc/23/30/07/635233007.db2.gz DIEKKXVPROKAHT-WMZOPIPTSA-N 1 0 285.387 3.302 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCN(CC(F)F)C1)c1ccc(C)cc1O ZINC000841765819 635234636 /nfs/dbraw/zinc/23/46/36/635234636.db2.gz VIIMZPXFDRPWGX-JSGCOSHPSA-N 1 0 298.377 3.081 20 10 CGCDRO CO[C@@H](C[NH2+]Cc1cc(Cl)ccc1O)CC(C)C ZINC000841888532 635247496 /nfs/dbraw/zinc/24/74/96/635247496.db2.gz KXWSUQRMCSBIMD-CYBMUJFWSA-N 1 0 271.788 3.196 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H](CO)CC2CCCCC2)c1 ZINC000841893327 635248686 /nfs/dbraw/zinc/24/86/86/635248686.db2.gz ILCWFSDNTDQMAA-INIZCTEOSA-N 1 0 277.408 3.122 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)C[C@H]2C[C@@H](OC)C2)cc1 ZINC000877921048 635270987 /nfs/dbraw/zinc/27/09/87/635270987.db2.gz BMPLEVYFUJPHOM-MAEOIBBWSA-N 1 0 290.451 3.390 20 10 CGCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@@H]1CCO[C@@H]1C ZINC000877977874 635301813 /nfs/dbraw/zinc/30/18/13/635301813.db2.gz XAFSPHLHHRARHI-WBVHZDCISA-N 1 0 290.451 3.388 20 10 CGCDRO COc1cccc(C[NH2+]C2(c3ccccc3OC)CC2)c1O ZINC000842738931 635454841 /nfs/dbraw/zinc/45/48/41/635454841.db2.gz BWNUGEUZALHOGS-UHFFFAOYSA-N 1 0 299.370 3.188 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CC[C@H]3C[C@H]3C2)c1 ZINC000842776436 635468845 /nfs/dbraw/zinc/46/88/45/635468845.db2.gz LBNAQGXVVKCKEE-SGMGOOAPSA-N 1 0 261.365 3.069 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(CO)cc1)c1ccc(Cl)cc1O ZINC000842894500 635507621 /nfs/dbraw/zinc/50/76/21/635507621.db2.gz HQWPUHSSOWSKTG-NSHDSACASA-N 1 0 291.778 3.389 20 10 CGCDRO CC(C)c1cnc(CN[C@H](C)c2ccccc2O)o1 ZINC000879648218 635825332 /nfs/dbraw/zinc/82/53/32/635825332.db2.gz FHZOPYWRKUEJAZ-LLVKDONJSA-N 1 0 260.337 3.354 20 10 CGCDRO C[C@@H]([NH2+]CCCc1ccncc1)c1ccccc1O ZINC000879649182 635826805 /nfs/dbraw/zinc/82/68/05/635826805.db2.gz LETVETXETIQCGT-CYBMUJFWSA-N 1 0 256.349 3.071 20 10 CGCDRO C[C@H]([NH2+]CC[C@@H](O)c1ccccc1)c1ccccc1O ZINC000879649670 635827218 /nfs/dbraw/zinc/82/72/18/635827218.db2.gz BMIKJMVAHMZJGX-XJKSGUPXSA-N 1 0 271.360 3.167 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)N(C)c1ccccc1 ZINC000879652543 635827834 /nfs/dbraw/zinc/82/78/34/635827834.db2.gz FOQZUWVBVGEDEK-UONOGXRCSA-N 1 0 298.386 3.094 20 10 CGCDRO CC(C)O[C@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000844380857 635885765 /nfs/dbraw/zinc/88/57/65/635885765.db2.gz BVNRROMXHFWCDH-KRWDZBQOSA-N 1 0 276.424 3.142 20 10 CGCDRO CC(C)O[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000844380858 635886112 /nfs/dbraw/zinc/88/61/12/635886112.db2.gz BVNRROMXHFWCDH-QGZVFWFLSA-N 1 0 276.424 3.142 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@]3(CC3(F)F)C2)cc1 ZINC000844467867 635910663 /nfs/dbraw/zinc/91/06/63/635910663.db2.gz JEILZNRVXYZFAJ-HNNXBMFYSA-N 1 0 280.362 3.374 20 10 CGCDRO CSC(C)(C)C[NH2+]Cc1cc(Cl)ccc1O ZINC000128213951 635919188 /nfs/dbraw/zinc/91/91/88/635919188.db2.gz MTIOZFCKKDBTEA-UHFFFAOYSA-N 1 0 259.802 3.277 20 10 CGCDRO c1csc(SCCC[NH2+][C@@H]2CCCSC2)n1 ZINC000128278295 635931940 /nfs/dbraw/zinc/93/19/40/635931940.db2.gz UQZLFSMCIMFPQB-SNVBAGLBSA-N 1 0 274.480 3.111 20 10 CGCDRO CC[C@@H]1C[N@H+](Cc2cc(C)cc(C)c2O)[C@@H](C)CO1 ZINC000844732662 635957253 /nfs/dbraw/zinc/95/72/53/635957253.db2.gz QWYWJUZHUZKIOC-DZGCQCFKSA-N 1 0 263.381 3.008 20 10 CGCDRO Oc1ccc2ccncc2c1C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000844755108 635959550 /nfs/dbraw/zinc/95/95/50/635959550.db2.gz ACADVBRIVMHBRP-OAHLLOKOSA-N 1 0 290.313 3.172 20 10 CGCDRO C[C@H]([NH2+][C@H]1CNc2ccccc2C1)c1cc(F)ccc1O ZINC000844922056 635985169 /nfs/dbraw/zinc/98/51/69/635985169.db2.gz ZTEBQEKUVWDARE-SMDDNHRTSA-N 1 0 286.350 3.219 20 10 CGCDRO COc1cccc(C[NH2+]Cc2cccc3c2CCC3)c1O ZINC000845970474 636125747 /nfs/dbraw/zinc/12/57/47/636125747.db2.gz PTPVCVDABXKLLC-UHFFFAOYSA-N 1 0 283.371 3.179 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+][C@H](C1CC1)C1CCOCC1 ZINC000846042761 636137452 /nfs/dbraw/zinc/13/74/52/636137452.db2.gz PDHBNQIGWCOZBP-MRXNPFEDSA-N 1 0 295.810 3.340 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H](C2CC2)C2CCOCC2)cc1 ZINC000846043509 636137926 /nfs/dbraw/zinc/13/79/26/636137926.db2.gz KOYOHRBVGCCKLM-SFHVURJKSA-N 1 0 288.435 3.047 20 10 CGCDRO CO[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000846056385 636139582 /nfs/dbraw/zinc/13/95/82/636139582.db2.gz OLBFOTDNHKHBSM-TZMCWYRMSA-N 1 0 269.772 3.093 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C2(C3CCC3)CC2)cc1F ZINC000846054867 636139999 /nfs/dbraw/zinc/13/99/99/636139999.db2.gz HNYUWEMCFACRDY-UHFFFAOYSA-N 1 0 262.372 3.314 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]CCCC(C)C)c1O ZINC000846138010 636148934 /nfs/dbraw/zinc/14/89/34/636148934.db2.gz WGBHUSCWXSNJHO-LBPRGKRZSA-N 1 0 251.370 3.488 20 10 CGCDRO CCCC(O)(CCC)C[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846145557 636149841 /nfs/dbraw/zinc/14/98/41/636149841.db2.gz OOBKMEROXDIRDG-ZDUSSCGKSA-N 1 0 295.423 3.383 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]CCC(F)(F)F)c1O ZINC000846148537 636149882 /nfs/dbraw/zinc/14/98/82/636149882.db2.gz GCBDYCBPOSCDEI-MRVPVSSYSA-N 1 0 263.259 3.004 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]Cc2ccc3c(c2)COC3)c1O ZINC000846154667 636150303 /nfs/dbraw/zinc/15/03/03/636150303.db2.gz BYNMFXHLAYMVOE-LBPRGKRZSA-N 1 0 299.370 3.282 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]CC(C)(C)[C@@H](O)C(C)C)c1O ZINC000846158193 636150335 /nfs/dbraw/zinc/15/03/35/636150335.db2.gz UOYCUZCJIXEGSW-WBMJQRKESA-N 1 0 295.423 3.095 20 10 CGCDRO CC[C@@H](CSC)[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846158831 636150374 /nfs/dbraw/zinc/15/03/74/636150374.db2.gz LEMKFYGUKXNSCB-QWRGUYRKSA-N 1 0 269.410 3.193 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]C2Cc3ccccc3C2)c1O ZINC000846165553 636151398 /nfs/dbraw/zinc/15/13/98/636151398.db2.gz ORWZIILXNRHJHA-GFCCVEGCSA-N 1 0 283.371 3.219 20 10 CGCDRO CCn1ccnc1[C@H](C)[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846168630 636152024 /nfs/dbraw/zinc/15/20/24/636152024.db2.gz LFWAZQKYZUHWIP-NEPJUHHUSA-N 1 0 289.379 3.029 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@H]2CCC[C@@H]2C)c1O ZINC000846167109 636152239 /nfs/dbraw/zinc/15/22/39/636152239.db2.gz GMWGEOPHWDHSOJ-RWMBFGLXSA-N 1 0 263.381 3.488 20 10 CGCDRO CCCN(CC)C[C@H](C)[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846169966 636152859 /nfs/dbraw/zinc/15/28/59/636152859.db2.gz LJDYDIXWUFNVNO-KBPBESRZSA-N 1 0 294.439 3.172 20 10 CGCDRO CC1(C)CC([NH2+]Cc2cc(F)cc(F)c2[O-])CC(C)(C)[NH2+]1 ZINC000882880210 636444743 /nfs/dbraw/zinc/44/47/43/636444743.db2.gz HPVDIVXRNDHROY-UHFFFAOYSA-N 1 0 298.377 3.069 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)c2cncnc2C)cc1 ZINC000848520792 636587143 /nfs/dbraw/zinc/58/71/43/636587143.db2.gz KJCHJMBGTYMGAG-CQSZACIVSA-N 1 0 298.434 3.482 20 10 CGCDRO CCOCC[N@H+](CC)Cc1c(O)ccc2ccccc21 ZINC000107668310 636590170 /nfs/dbraw/zinc/59/01/70/636590170.db2.gz ZBUJDXZICPHMEV-UHFFFAOYSA-N 1 0 273.376 3.404 20 10 CGCDRO COc1c(C)cccc1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000848560868 636606364 /nfs/dbraw/zinc/60/63/64/636606364.db2.gz RQIMDODLFLCGIM-OAHLLOKOSA-N 1 0 283.371 3.486 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+][C@H](C1CC1)[C@@H]1CCCCO1 ZINC000848560698 636606826 /nfs/dbraw/zinc/60/68/26/636606826.db2.gz QCYGMMHBOZUHQD-JKSUJKDBSA-N 1 0 295.810 3.483 20 10 CGCDRO COC[C@@H](CC(C)(C)C)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000848565721 636608386 /nfs/dbraw/zinc/60/83/86/636608386.db2.gz ZVKKQWVXYWSCMH-ZIAGYGMSSA-N 1 0 277.408 3.420 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CC2(COC)CC2)cc1F ZINC000848565074 636608718 /nfs/dbraw/zinc/60/87/18/636608718.db2.gz LLZJUHRMKNPJPI-UHFFFAOYSA-N 1 0 294.414 3.188 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCc2cccc(O)c21)[C@@H]1CCCCO1 ZINC000848568004 636610595 /nfs/dbraw/zinc/61/05/95/636610595.db2.gz VYLTZPNLTCUUOE-DZKIICNBSA-N 1 0 275.392 3.317 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cc(Cl)ccc1O)[C@H]1CCCCO1 ZINC000848575590 636614017 /nfs/dbraw/zinc/61/40/17/636614017.db2.gz SUIKUKCRALTQLM-UKRRQHHQSA-N 1 0 283.799 3.483 20 10 CGCDRO CC[C@H]([NH2+][C@H]1C[C@@H](COC)C1)c1ccc(N(C)C)cc1 ZINC000883320162 636671768 /nfs/dbraw/zinc/67/17/68/636671768.db2.gz CIHFYTUWIUTICD-LXZKKBNFSA-N 1 0 276.424 3.218 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c1O ZINC000848888450 636676475 /nfs/dbraw/zinc/67/64/75/636676475.db2.gz BGEIJYFOAQASIW-NVXWUHKLSA-N 1 0 289.419 3.203 20 10 CGCDRO CCc1cccc(C[NH2+][C@H](C)[C@H](O)Cc2ccccc2)c1O ZINC000848898847 636680602 /nfs/dbraw/zinc/68/06/02/636680602.db2.gz HTYDVHVXOBIYON-RDTXWAMCSA-N 1 0 299.414 3.036 20 10 CGCDRO CCc1cccc(C[NH2+][C@H]2CCO[C@@H](C(C)C)C2)c1O ZINC000848898992 636680636 /nfs/dbraw/zinc/68/06/36/636680636.db2.gz BRXCVIYZDCRLIV-JKSUJKDBSA-N 1 0 277.408 3.248 20 10 CGCDRO CCc1cccc(C[NH2+][C@H]2CCO[C@H](C3CC3)C2)c1O ZINC000848903302 636683139 /nfs/dbraw/zinc/68/31/39/636683139.db2.gz PJZZPXXFZWLLEM-HOTGVXAUSA-N 1 0 275.392 3.002 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@H]2CCC(F)(F)C2)c1O ZINC000848908066 636685616 /nfs/dbraw/zinc/68/56/16/636685616.db2.gz MLNNUZFUVIEOSP-NSHDSACASA-N 1 0 269.335 3.480 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCC(F)(F)[C@H](C)C2)c1O ZINC000848913168 636687483 /nfs/dbraw/zinc/68/74/83/636687483.db2.gz QBAGFZCWNXKCMT-LLVKDONJSA-N 1 0 269.335 3.432 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCC[C@](C)(F)C2)c1O ZINC000848914008 636688267 /nfs/dbraw/zinc/68/82/67/636688267.db2.gz GNYUYJRRZNUQJT-HNNXBMFYSA-N 1 0 251.345 3.279 20 10 CGCDRO CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(CC)c1O ZINC000848914880 636688714 /nfs/dbraw/zinc/68/87/14/636688714.db2.gz PDWXCIQRACWJFJ-HZPDHXFCSA-N 1 0 277.408 3.392 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCSC[C@H]2C2CC2)c1O ZINC000848917017 636690030 /nfs/dbraw/zinc/69/00/30/636690030.db2.gz ZMCLQNAZYXZGCP-HNNXBMFYSA-N 1 0 277.433 3.282 20 10 CGCDRO CCc1cccc(C[NH+]2CC(CC(F)(F)F)C2)c1O ZINC000848916773 636690353 /nfs/dbraw/zinc/69/03/53/636690353.db2.gz MNDVBRBQPNJMEB-UHFFFAOYSA-N 1 0 273.298 3.339 20 10 CGCDRO CCc1cccc(C[NH2+]Cc2cc(C)nc(C)c2)c1O ZINC000848918057 636691775 /nfs/dbraw/zinc/69/17/75/636691775.db2.gz OGRARFSOLCZFGZ-UHFFFAOYSA-N 1 0 270.376 3.256 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](CC)[C@@H]2CCCOC2)c1 ZINC000883353251 636694745 /nfs/dbraw/zinc/69/47/45/636694745.db2.gz QWBBZLKDWMCSTG-CJNGLKHVSA-N 1 0 293.407 3.086 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H](CC(=O)OC(C)C)C(C)C)c1O ZINC000848927765 636701022 /nfs/dbraw/zinc/70/10/22/636701022.db2.gz NFUWAIOKBWUOPX-HNNXBMFYSA-N 1 0 293.407 3.157 20 10 CGCDRO CCC[C@@H](C)[N@H+](C)Cc1cccc(OCC)c1O ZINC000132296913 636800272 /nfs/dbraw/zinc/80/02/72/636800272.db2.gz RQRGVPSSHGCWAV-GFCCVEGCSA-N 1 0 251.370 3.411 20 10 CGCDRO CC[C@@H]1C[C@@H]([NH2+][C@@H](C)Cc2ccc(N(C)C)cc2C)CO1 ZINC000850328646 637018964 /nfs/dbraw/zinc/01/89/64/637018964.db2.gz WRULPCCQSMKFOD-YXJHDRRASA-N 1 0 290.451 3.149 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@]2(C)CC2(F)F)cc1C ZINC000850378833 637039677 /nfs/dbraw/zinc/03/96/77/637039677.db2.gz AKBMHOOLHIIWGU-ZDUSSCGKSA-N 1 0 255.308 3.144 20 10 CGCDRO COc1cccc(C[NH2+]C2CCC3(CC3(F)F)CC2)c1O ZINC000850391186 637045416 /nfs/dbraw/zinc/04/54/16/637045416.db2.gz HVHBZSNXTSMHSR-UHFFFAOYSA-N 1 0 297.345 3.458 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)cc1 ZINC000850393424 637045527 /nfs/dbraw/zinc/04/55/27/637045527.db2.gz SIARFMOJASIIDC-FVQHAEBGSA-N 1 0 258.409 3.421 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CC2SCCS2)c(Cl)c1 ZINC000850402823 637049441 /nfs/dbraw/zinc/04/94/41/637049441.db2.gz XWNAPKMHSQGZPH-UHFFFAOYSA-N 1 0 289.853 3.250 20 10 CGCDRO CCCN(C)CC(C)(C)[NH2+]Cc1cc(OCC)ccc1O ZINC000850410368 637052978 /nfs/dbraw/zinc/05/29/78/637052978.db2.gz SMLBCNZNZKWBAN-UHFFFAOYSA-N 1 0 294.439 3.001 20 10 CGCDRO FCC1(CF)CC([NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC000850423569 637056049 /nfs/dbraw/zinc/05/60/49/637056049.db2.gz WZHZOPPDRHROBF-UHFFFAOYSA-N 1 0 294.389 3.464 20 10 CGCDRO C[C@H]([NH2+][C@H]1COC(C)(C)C1)c1cc(Cl)ccc1O ZINC000850483406 637086974 /nfs/dbraw/zinc/08/69/74/637086974.db2.gz XEUWLKTWAKGUFH-GXSJLCMTSA-N 1 0 269.772 3.264 20 10 CGCDRO CC[C@@H]([NH2+][C@H]1CCN(c2ccc(OC)cc2)C1)C1CCC1 ZINC000850485921 637087065 /nfs/dbraw/zinc/08/70/65/637087065.db2.gz CRDIPCVEVLWSSO-MAUKXSAKSA-N 1 0 288.435 3.442 20 10 CGCDRO CC[C@H]([NH2+]CCC1CC(OC)C1)c1ccccc1O ZINC000850483588 637087151 /nfs/dbraw/zinc/08/71/51/637087151.db2.gz ZTALLSBFRAUGBV-PIMMBPRGSA-N 1 0 263.381 3.248 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+]C(C3CC3)C3CC3)C2)cc1 ZINC000850488442 637087700 /nfs/dbraw/zinc/08/77/00/637087700.db2.gz MWFYNJDBGJGASN-HNNXBMFYSA-N 1 0 286.419 3.052 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc2ccccc2c1O)C1(CO)CC1 ZINC000850516953 637100415 /nfs/dbraw/zinc/10/04/15/637100415.db2.gz ZWQGJQJVOYLNCF-QWHCGFSZSA-N 1 0 285.387 3.357 20 10 CGCDRO C[C@@H]1C[N@@H+](Cc2c(O)ccc3ccccc32)C[C@H](C)N1C ZINC000135259960 637101925 /nfs/dbraw/zinc/10/19/25/637101925.db2.gz LYUDQOXDCAHNRY-OKILXGFUSA-N 1 0 284.403 3.070 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@H]2COC3(CCC3)C2)c(O)c1 ZINC000850523875 637103438 /nfs/dbraw/zinc/10/34/38/637103438.db2.gz QLMRZUNKERHDAS-UONOGXRCSA-N 1 0 275.392 3.371 20 10 CGCDRO C[C@H]([NH2+][C@H]1C[C@@H](O)c2ccccc21)c1ccccc1O ZINC000850530451 637107821 /nfs/dbraw/zinc/10/78/21/637107821.db2.gz YZAXSQHHIIUCKX-XNJJOIOASA-N 1 0 269.344 3.221 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@H]2CCC[C@@H](C)O2)c1O ZINC000850533846 637110397 /nfs/dbraw/zinc/11/03/97/637110397.db2.gz COLNLLIDALEVCB-FRRDWIJNSA-N 1 0 279.380 3.009 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC[C@]2(C)CC2(F)F)c1 ZINC000850536681 637112630 /nfs/dbraw/zinc/11/26/30/637112630.db2.gz MHQZWCDAIWOAFM-IINYFYTJSA-N 1 0 285.334 3.487 20 10 CGCDRO CCCC[C@@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850566656 637126666 /nfs/dbraw/zinc/12/66/66/637126666.db2.gz QMBHBUHNMLOADI-OAHLLOKOSA-N 1 0 290.451 3.316 20 10 CGCDRO CCCC[N@H+](Cc1coc(C)n1)Cc1ccccc1O ZINC000852018640 637573758 /nfs/dbraw/zinc/57/37/58/637573758.db2.gz OZVJUTXBNUESBO-UHFFFAOYSA-N 1 0 274.364 3.491 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2C[C@@H]2[C@H]2C[C@@H]2C)c1O ZINC000886694383 637660530 /nfs/dbraw/zinc/66/05/30/637660530.db2.gz UUDWYGLXUKXNSG-YLXLXVFQSA-N 1 0 275.392 3.344 20 10 CGCDRO C[C@H]1CCCN(C(=O)C=C2CC[NH2+]CC2)c2ccccc21 ZINC000852884359 637721831 /nfs/dbraw/zinc/72/18/31/637721831.db2.gz JHRANRBRXVBCJH-AWEZNQCLSA-N 1 0 284.403 3.227 20 10 CGCDRO COCC1([NH2+]Cc2cc(Cl)ccc2O)CCCCC1 ZINC000853090917 637754783 /nfs/dbraw/zinc/75/47/83/637754783.db2.gz IGRPKULJLAEKTP-UHFFFAOYSA-N 1 0 283.799 3.485 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CC2(O)CCC(C)CC2)cc1C ZINC000853092340 637755149 /nfs/dbraw/zinc/75/51/49/637755149.db2.gz KBASOFNADWXANR-UHFFFAOYSA-N 1 0 277.408 3.040 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCC[C@H]2C)c1 ZINC000300310396 637831538 /nfs/dbraw/zinc/83/15/38/637831538.db2.gz SWAYNSFILRXIKY-AGIUHOORSA-N 1 0 263.381 3.488 20 10 CGCDRO C[C@@H]1CC[C@@H]([NH2+]Cc2cc(F)ccc2O)C[C@H]1C ZINC000300419603 637838795 /nfs/dbraw/zinc/83/87/95/637838795.db2.gz XUXYONQEEBISLS-JTNHKYCSSA-N 1 0 251.345 3.446 20 10 CGCDRO COc1ccc(C[NH2+]C[C@H]2CCc3ccccc32)c(O)c1 ZINC000111390608 637861192 /nfs/dbraw/zinc/86/11/92/637861192.db2.gz UJULIBBUAQPQSH-CQSZACIVSA-N 1 0 283.371 3.220 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2C[C@@H]3COC[C@@]3(C)C2)cc1C(C)C ZINC000853566098 637867813 /nfs/dbraw/zinc/86/78/13/637867813.db2.gz LSQCUVNGKBPIQK-CRAIPNDOSA-N 1 0 289.419 3.292 20 10 CGCDRO C[N@H+](CC1=CCSC1)Cc1c(O)ccc2ccncc21 ZINC000853619050 637874163 /nfs/dbraw/zinc/87/41/63/637874163.db2.gz SSDUMKLYDAIUPV-UHFFFAOYSA-N 1 0 286.400 3.045 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CNCC[C@@H]1c1ccccc1)c1ccccc1O ZINC000854222968 638025738 /nfs/dbraw/zinc/02/57/38/638025738.db2.gz PSDGMQGPWXWZLT-ZTFGCOKTSA-N 1 0 296.414 3.189 20 10 CGCDRO C[NH2+]C[C@@H](C)N[C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000854231469 638030183 /nfs/dbraw/zinc/03/01/83/638030183.db2.gz DQBHBQAAGQUBKW-ZIAGYGMSSA-N 1 0 293.430 3.075 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]CC[C@H]2CC2(Cl)Cl)c1 ZINC000856806208 638394035 /nfs/dbraw/zinc/39/40/35/638394035.db2.gz BWXIIGAVDVPXRN-NSHDSACASA-N 1 0 274.191 3.374 20 10 CGCDRO CN(C)c1cc(F)c(C[NH2+]CC[C@@H]2CCCCO2)cc1F ZINC000858157711 638647442 /nfs/dbraw/zinc/64/74/42/638647442.db2.gz MSGVFFQGAOJWPB-ZDUSSCGKSA-N 1 0 298.377 3.080 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]Cc2cc(F)c(N(C)C)cc2F)CS1 ZINC000858176617 638650113 /nfs/dbraw/zinc/65/01/13/638650113.db2.gz CWWODVBZOQKOTG-KOLCDFICSA-N 1 0 286.391 3.014 20 10 CGCDRO CN(C)c1cc(F)c(C[NH2+]CCC(C)(C)F)cc1F ZINC000858189303 638654635 /nfs/dbraw/zinc/65/46/35/638654635.db2.gz IINKZVDSSZUTTL-UHFFFAOYSA-N 1 0 274.330 3.259 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2ncccc2C(F)(F)F)c1 ZINC000858239261 638661661 /nfs/dbraw/zinc/66/16/61/638661661.db2.gz KLYRFIPYIALTQN-UHFFFAOYSA-N 1 0 296.292 3.404 20 10 CGCDRO CCC[C@H](C[NH2+][C@@H](C)c1cccc(OC)c1O)OCC ZINC000858451274 638722852 /nfs/dbraw/zinc/72/28/52/638722852.db2.gz QHGLAEZODLDIGD-QWHCGFSZSA-N 1 0 281.396 3.257 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1Cc2ccccc2CO1)c1ccccc1O ZINC000858452523 638723438 /nfs/dbraw/zinc/72/34/38/638723438.db2.gz FGOSBRFEBADDQM-CJNGLKHVSA-N 1 0 283.371 3.184 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2C[C@H]3OC(C)(C)O[C@H]3C2)c1 ZINC000927061381 638836332 /nfs/dbraw/zinc/83/63/32/638836332.db2.gz SMKJAAVKZPXDMZ-GVAFMPQTSA-N 1 0 291.391 3.034 20 10 CGCDRO C[N@H+](CCSc1ccncc1)Cc1ccccc1O ZINC000929969995 638965008 /nfs/dbraw/zinc/96/50/08/638965008.db2.gz HAGFAGRUEFDQMD-UHFFFAOYSA-N 1 0 274.389 3.011 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H]2C[C@@H](OC)C2)cc1 ZINC000858592882 638999072 /nfs/dbraw/zinc/99/90/72/638999072.db2.gz NENPQOGQRPEESL-GRDNDAEWSA-N 1 0 276.424 3.218 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]C(C)(CC)CC)c1 ZINC000116359538 639022482 /nfs/dbraw/zinc/02/24/82/639022482.db2.gz FAISFYMKKKQEGW-UHFFFAOYSA-N 1 0 251.370 3.459 20 10 CGCDRO CCN(C)c1ccc(C[NH2+][C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)cc1 ZINC000859829756 639232206 /nfs/dbraw/zinc/23/22/06/639232206.db2.gz IXIYABSLKXILMR-LOUJCGABSA-N 1 0 276.424 3.044 20 10 CGCDRO CCCC[N@H+](CC)Cc1ccc(N2CCOCC2)cc1 ZINC000158975477 640025694 /nfs/dbraw/zinc/02/56/94/640025694.db2.gz NXFQGWCMBOIBDD-UHFFFAOYSA-N 1 0 276.424 3.145 20 10 CGCDRO CN(Cc1ccccc1)CC(C)(C)[NH2+]Cc1ccccc1O ZINC000159362361 640041446 /nfs/dbraw/zinc/04/14/46/640041446.db2.gz AKVCSKRLZZRRHX-UHFFFAOYSA-N 1 0 298.430 3.392 20 10 CGCDRO COc1cc(C[N@@H+]2CCc3ccccc3C2)c(O)cc1C ZINC000159455794 640046875 /nfs/dbraw/zinc/04/68/75/640046875.db2.gz HHRVBFSBYCGBER-UHFFFAOYSA-N 1 0 283.371 3.268 20 10 CGCDRO COc1cc(O)c(C[N@H+](C)[C@H]2CCC[C@@H](C)C2)cc1OC ZINC000159780724 640067586 /nfs/dbraw/zinc/06/75/86/640067586.db2.gz GUQNCZFLGHLIDB-OCCSQVGLSA-N 1 0 293.407 3.420 20 10 CGCDRO COc1cnccc1[C@@H](C)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000188776739 640152482 /nfs/dbraw/zinc/15/24/82/640152482.db2.gz NKYHRPOQFCNEEA-GHMZBOCLSA-N 1 0 290.338 3.347 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H](CC)c2nccs2)c1O ZINC000078004262 640276789 /nfs/dbraw/zinc/27/67/89/640276789.db2.gz SORROTANJVLCKG-LBPRGKRZSA-N 1 0 292.404 3.488 20 10 CGCDRO COc1cccc(C[NH2+]CC(C(C)C)C(C)C)c1O ZINC000191701023 640328205 /nfs/dbraw/zinc/32/82/05/640328205.db2.gz FTIRRICLQKMDSI-UHFFFAOYSA-N 1 0 265.397 3.419 20 10 CGCDRO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000245689693 640631875 /nfs/dbraw/zinc/63/18/75/640631875.db2.gz BFOZMZKCTXYFQC-MBNYWOFBSA-N 1 0 289.375 3.274 20 10 CGCDRO Cc1ncc([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2)s1 ZINC000090400561 640677936 /nfs/dbraw/zinc/67/79/36/640677936.db2.gz GKPLQLDNKDQRIX-LLVKDONJSA-N 1 0 275.421 3.368 20 10 CGCDRO CC(C)[C@H](O)C(C)(C)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000090810570 640693393 /nfs/dbraw/zinc/69/33/93/640693393.db2.gz LJQFTCPYYZZXHW-PBHICJAKSA-N 1 0 292.467 3.446 20 10 CGCDRO C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)C[C@H](C)S1 ZINC000092540178 640739489 /nfs/dbraw/zinc/73/94/89/640739489.db2.gz XIWXGXWGVQLVTM-BETUJISGSA-N 1 0 264.438 3.078 20 10 CGCDRO CC[C@H]([NH2+][C@H]1C[C@@H](C)N(C2CC2)C1)c1ccccc1O ZINC000248550429 640768468 /nfs/dbraw/zinc/76/84/68/640768468.db2.gz HYRHGJIZRNXYJT-WWGRRREGSA-N 1 0 274.408 3.058 20 10 CGCDRO C[N@H+](CCC(=O)OC(C)(C)C)Cc1cc(Cl)ccc1O ZINC000093686636 640780532 /nfs/dbraw/zinc/78/05/32/640780532.db2.gz DKIRFCUOGVFFOS-UHFFFAOYSA-N 1 0 299.798 3.209 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CCS[C@H](C(C)C)C2)c1O ZINC000093869197 640784340 /nfs/dbraw/zinc/78/43/40/640784340.db2.gz KIEGPSJYLBEIFU-HNNXBMFYSA-N 1 0 295.448 3.364 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CC(C)(C)OC2(C)C)cc1 ZINC000094422806 640795756 /nfs/dbraw/zinc/79/57/56/640795756.db2.gz FLYWBDYLXUCZJC-OAHLLOKOSA-N 1 0 276.424 3.188 20 10 CGCDRO COc1cccc(C[NH2+][C@@H]2CC[C@@H](C)[C@H](C)C2)c1O ZINC000251780894 640833022 /nfs/dbraw/zinc/83/30/22/640833022.db2.gz LDBLHXWHFJTUHN-YRGRVCCFSA-N 1 0 263.381 3.315 20 10 CGCDRO CCCCCC[NH2+]Cc1cccc(OCC)c1O ZINC000020143588 641040427 /nfs/dbraw/zinc/04/04/27/641040427.db2.gz YYSGVNUFTFAFQK-UHFFFAOYSA-N 1 0 251.370 3.461 20 10 CGCDRO [NH3+][C@@H]1Cc2ccc(Nc3ccc4c(c3)CCCN4)cc2C1 ZINC001159832213 806182732 /nfs/dbraw/zinc/18/27/32/806182732.db2.gz FYADENLKMCAHSC-OAHLLOKOSA-N 1 0 279.387 3.214 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCc2cccc(F)c2)c1 ZINC000036778681 798851479 /nfs/dbraw/zinc/85/14/79/798851479.db2.gz SLOUCWVCKUROEX-GFCCVEGCSA-N 1 0 289.350 3.433 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCN2CCCC[C@H]12)c1ccccc1O ZINC000036996632 798855682 /nfs/dbraw/zinc/85/56/82/798855682.db2.gz VZSSWQBMEICTLX-ARFHVFGLSA-N 1 0 274.408 3.060 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]C[C@@H]1Cc2ccccc21 ZINC000037565491 798868660 /nfs/dbraw/zinc/86/86/60/798868660.db2.gz DLDGMLBITABLMV-LBPRGKRZSA-N 1 0 273.763 3.475 20 10 CGCDRO c1ccc2c(c1)C[C@@H]2C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000037566245 798868672 /nfs/dbraw/zinc/86/86/72/798868672.db2.gz MBCPKDCXIZRZMU-MRXNPFEDSA-N 1 0 265.356 3.051 20 10 CGCDRO C[C@@H]1C[C@@H](C)[C@@H](C)[N@H+](Cc2cc(F)ccc2O)C1 ZINC000235359976 799144026 /nfs/dbraw/zinc/14/40/26/799144026.db2.gz IZJJGFALCQGCCC-IJLUTSLNSA-N 1 0 251.345 3.398 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1CCC=CO1)c1ccc(N(C)C)cc1 ZINC000379987269 799356151 /nfs/dbraw/zinc/35/61/51/799356151.db2.gz MRYRAFKGVYBUEZ-XJKSGUPXSA-N 1 0 260.381 3.096 20 10 CGCDRO CCC[C@@H](C[NH2+][C@@H](C)c1ccc(N(C)C)cc1)OC ZINC000381088146 799371745 /nfs/dbraw/zinc/37/17/45/799371745.db2.gz CRAVMCKTSYNFPE-BBRMVZONSA-N 1 0 264.413 3.218 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]C[C@H]1CCCSC1 ZINC000384178026 799413197 /nfs/dbraw/zinc/41/31/97/799413197.db2.gz VZSJBSBTXUOQDC-SNVBAGLBSA-N 1 0 271.813 3.278 20 10 CGCDRO C[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])C1(C[NH3+])CCC1 ZINC000385164654 799423199 /nfs/dbraw/zinc/42/31/99/799423199.db2.gz AOALZKFMWPLSDO-UHFFFAOYSA-N 1 0 289.206 3.012 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C[C@H]2CCCC2(C)C)c1 ZINC000388660796 799454892 /nfs/dbraw/zinc/45/48/92/799454892.db2.gz GDVOZGARIUOGOT-CYBMUJFWSA-N 1 0 263.381 3.317 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CC23CCCC3)c1 ZINC000395658923 799507342 /nfs/dbraw/zinc/50/73/42/799507342.db2.gz XFTFUZZGGRKYNM-ABAIWWIYSA-N 1 0 261.365 3.384 20 10 CGCDRO C[C@H](C[NH2+]Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC000396893678 799511353 /nfs/dbraw/zinc/51/13/53/799511353.db2.gz CXPOFVHOHUTHSL-NSHDSACASA-N 1 0 274.330 3.431 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CS[C@H](C)C2)c1 ZINC000397970507 799524170 /nfs/dbraw/zinc/52/41/70/799524170.db2.gz MNROGYRCYXVFEO-GRYCIOLGSA-N 1 0 251.395 3.245 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403503280 799567327 /nfs/dbraw/zinc/56/73/27/799567327.db2.gz ZEDXYTDXUZSILB-GMTAPVOTSA-N 1 0 251.757 3.324 20 10 CGCDRO CCOc1cccc(C[N@@H+]2C[C@@H](CC)OC[C@H]2CC)c1O ZINC000403906014 799572537 /nfs/dbraw/zinc/57/25/37/799572537.db2.gz WWPGRYCSRWKPEE-HUUCEWRRSA-N 1 0 293.407 3.180 20 10 CGCDRO CCOc1cccc(C[N@@H+]2C[C@H](CC)OC[C@@H]2CC)c1O ZINC000403906013 799572590 /nfs/dbraw/zinc/57/25/90/799572590.db2.gz WWPGRYCSRWKPEE-GJZGRUSLSA-N 1 0 293.407 3.180 20 10 CGCDRO COc1ccc(N(C)Cc2cc3c(s2)CC[NH2+]C3)cc1 ZINC000688013486 799743720 /nfs/dbraw/zinc/74/37/20/799743720.db2.gz TVLULAFBKXMJIM-UHFFFAOYSA-N 1 0 288.416 3.039 20 10 CGCDRO CO[C@@H](C)C[N@H+](Cc1cc(Cl)ccc1O)C(C)C ZINC000688097939 799744665 /nfs/dbraw/zinc/74/46/65/799744665.db2.gz ZHIFUWRPTUDEKN-NSHDSACASA-N 1 0 271.788 3.291 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C2CCC(F)(F)CC2)c1 ZINC000688503507 799748844 /nfs/dbraw/zinc/74/88/44/799748844.db2.gz QCCWIYHJMLPBLB-UHFFFAOYSA-N 1 0 271.307 3.068 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H]2CC[C@H](C)SC2)c1 ZINC000689613823 799766082 /nfs/dbraw/zinc/76/60/82/799766082.db2.gz WVQBVLHHTBZKPM-AAEUAGOBSA-N 1 0 251.395 3.074 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCN(C(C)(C)C)C2)c1 ZINC000693887811 799817681 /nfs/dbraw/zinc/81/76/81/799817681.db2.gz KHIDGJGYDXYEEH-KGLIPLIRSA-N 1 0 276.424 3.224 20 10 CGCDRO C[C@H](Cc1ccccn1)[NH2+][C@@H](C)c1ccccc1O ZINC000694036498 799820916 /nfs/dbraw/zinc/82/09/16/799820916.db2.gz AIQVUFRDOWGEEO-OLZOCXBDSA-N 1 0 256.349 3.069 20 10 CGCDRO C[C@H](C[NH2+]Cc1c(O)cccc1Cl)CC(F)F ZINC000697720289 799848240 /nfs/dbraw/zinc/84/82/40/799848240.db2.gz UQHARPXYLSSOQF-QMMMGPOBSA-N 1 0 263.715 3.427 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]Cc1ccc(Cl)o1 ZINC000698041419 799852714 /nfs/dbraw/zinc/85/27/14/799852714.db2.gz FOMBOKGQCDXXNO-UHFFFAOYSA-N 1 0 255.676 3.068 20 10 CGCDRO C[C@H]([NH2+][C@H]1COC[C@H]1C)c1ccc2ccccc2c1O ZINC000699475698 799862048 /nfs/dbraw/zinc/86/20/48/799862048.db2.gz MWJGINVQZWQBEJ-WQGACYEGSA-N 1 0 271.360 3.231 20 10 CGCDRO COc1ccc(C[NH2+]CCC2(F)CCC2)cc1C ZINC000702433123 799909412 /nfs/dbraw/zinc/90/94/12/799909412.db2.gz SNBWJOYVXBAREJ-UHFFFAOYSA-N 1 0 251.345 3.376 20 10 CGCDRO Cc1csc([C@@H](C)[NH2+]Cc2ccc(F)c(F)c2[O-])n1 ZINC000703340997 799923314 /nfs/dbraw/zinc/92/33/14/799923314.db2.gz MZVRKFUTJWDRJR-MRVPVSSYSA-N 1 0 284.331 3.286 20 10 CGCDRO CCc1cccc(C[NH2+]CC[C@@H]2CCSC2)c1O ZINC000704794731 799940886 /nfs/dbraw/zinc/94/08/86/799940886.db2.gz CDNFPNYTBVTKPP-GFCCVEGCSA-N 1 0 265.422 3.187 20 10 CGCDRO C[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2O)C1 ZINC000708603043 799991571 /nfs/dbraw/zinc/99/15/71/799991571.db2.gz XGDIKIWXXCEGEQ-LBPRGKRZSA-N 1 0 259.271 3.167 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1CCC2(CCC2)O1)c1cc(F)ccc1O ZINC000711471820 800061349 /nfs/dbraw/zinc/06/13/49/800061349.db2.gz LXIZHCPLIYAHAZ-AAEUAGOBSA-N 1 0 279.355 3.284 20 10 CGCDRO COC(C)(C)CC[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000711883892 800078349 /nfs/dbraw/zinc/07/83/49/800078349.db2.gz KGXWFSUSHOLEFT-LBPRGKRZSA-N 1 0 251.370 3.166 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC[C@@H]2CCCS2)c1 ZINC000715753088 800146399 /nfs/dbraw/zinc/14/63/99/800146399.db2.gz ITMOHTGUOAWEBO-YPMHNXCESA-N 1 0 281.421 3.337 20 10 CGCDRO COc1cccc(C[N@H+](C)Cc2cc(F)cc(F)c2)c1O ZINC001256049280 806808494 /nfs/dbraw/zinc/80/84/94/806808494.db2.gz ZDYWZFULZGHLRS-UHFFFAOYSA-N 1 0 293.313 3.311 20 10 CGCDRO Cc1cccc(C[NH2+]CC[C@H]2CCC3(CCC3)O2)c1O ZINC000717116728 800193547 /nfs/dbraw/zinc/19/35/47/800193547.db2.gz UMYAMWLMQFPSSK-OAHLLOKOSA-N 1 0 275.392 3.282 20 10 CGCDRO C[C@@H]([NH2+]Cc1cnc(Cl)s1)c1ccccc1O ZINC000718201350 800213645 /nfs/dbraw/zinc/21/36/45/800213645.db2.gz SOSIYTVKZHIBKM-MRVPVSSYSA-N 1 0 268.769 3.353 20 10 CGCDRO CC[C@H]([NH2+]CCC(C)(C)COC)c1ccccc1O ZINC000718774112 800223160 /nfs/dbraw/zinc/22/31/60/800223160.db2.gz OFNOHIMWISNNAL-AWEZNQCLSA-N 1 0 265.397 3.496 20 10 CGCDRO C[C@@H]([NH2+]Cc1nc2c(s1)CCC2)c1ccccc1O ZINC000719624462 800247076 /nfs/dbraw/zinc/24/70/76/800247076.db2.gz GYLRLXLUUBCHNJ-SNVBAGLBSA-N 1 0 274.389 3.188 20 10 CGCDRO COC(C)(C)[C@@H](C)[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000720202340 800253898 /nfs/dbraw/zinc/25/38/98/800253898.db2.gz FTHXZMXRSXDNLU-NWDGAFQWSA-N 1 0 251.370 3.165 20 10 CGCDRO COC(C)(C)[C@H](C)[NH2+][C@H](C)c1ccc(C)cc1O ZINC000720202339 800254203 /nfs/dbraw/zinc/25/42/03/800254203.db2.gz FTHXZMXRSXDNLU-NEPJUHHUSA-N 1 0 251.370 3.165 20 10 CGCDRO CCOc1cccc(C[NH2+]CC2(C)CC(F)(F)C2)c1O ZINC000720911079 800272244 /nfs/dbraw/zinc/27/22/44/800272244.db2.gz DGZPPHJSRBHYCC-UHFFFAOYSA-N 1 0 285.334 3.316 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC2(C)CC(F)(F)C2)c1 ZINC000720912285 800272416 /nfs/dbraw/zinc/27/24/16/800272416.db2.gz ODMKTFKKLHDTJF-JTQLQIEISA-N 1 0 285.334 3.487 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@H]2CC[C@@H](C3CC3)O2)c1O ZINC000722321381 800313514 /nfs/dbraw/zinc/31/35/14/800313514.db2.gz RLUSSQBFIROIEP-CVEARBPZSA-N 1 0 275.392 3.002 20 10 CGCDRO CCCOc1ccc(N(CCC[NH3+])C(C)C)c(F)c1 ZINC001164128859 806897675 /nfs/dbraw/zinc/89/76/75/806897675.db2.gz LEEDIPMPCYPETA-UHFFFAOYSA-N 1 0 268.376 3.178 20 10 CGCDRO C[N@H+](CCc1ccc(F)cc1F)Cc1ccccc1O ZINC001116529768 802373326 /nfs/dbraw/zinc/37/33/26/802373326.db2.gz ZCVNZAYATYMPDU-UHFFFAOYSA-N 1 0 277.314 3.345 20 10 CGCDRO CCCC[C@H](CN)[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC001118122708 802527368 /nfs/dbraw/zinc/52/73/68/802527368.db2.gz ZRAYEVUDJZCINT-MCIONIFRSA-N 1 0 276.424 3.356 20 10 CGCDRO CC(C)c1ocnc1C[NH2+][C@H](C)c1ccccc1O ZINC001119261505 802639964 /nfs/dbraw/zinc/63/99/64/802639964.db2.gz SOKHBFMQBUVIOY-LLVKDONJSA-N 1 0 260.337 3.354 20 10 CGCDRO COc1cccc(F)c1C[NH2+][C@H](C)c1ccccc1O ZINC001120243656 802735497 /nfs/dbraw/zinc/73/54/97/802735497.db2.gz ASKVDILULUGLQT-LLVKDONJSA-N 1 0 275.323 3.391 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H](COC)C(C)C)cc1F ZINC001200600131 811716565 /nfs/dbraw/zinc/71/65/65/811716565.db2.gz CCKSJANRJXTBGF-MRXNPFEDSA-N 1 0 296.430 3.433 20 10 CGCDRO CC=C(NC=[NH2+])c1ccc(N2CCCCC2)cc1F ZINC001244263763 803269058 /nfs/dbraw/zinc/26/90/58/803269058.db2.gz DOXAAZIXNBTIPM-LXOGZNDWSA-N 1 0 261.344 3.373 20 10 CGCDRO C[N@H+](CCc1ccc(F)cc1)Cc1c([O-])cccc1F ZINC001137839211 803779960 /nfs/dbraw/zinc/77/99/60/803779960.db2.gz WMRNDQRLLHVNAM-UHFFFAOYSA-N 1 0 277.314 3.345 20 10 CGCDRO Cc1cc(C[N@H+]2C[C@@H](O)CC[C@H]2C)c(C)n1-c1ccccc1 ZINC001137854405 803785755 /nfs/dbraw/zinc/78/57/55/803785755.db2.gz UZKSUHPBKNXTJP-KUHUBIRLSA-N 1 0 298.430 3.439 20 10 CGCDRO Cc1c(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)c2ccccc2n1C ZINC001138252783 803881728 /nfs/dbraw/zinc/88/17/28/803881728.db2.gz UWPAAFJHGFAKMN-HNAYVOBHSA-N 1 0 298.430 3.488 20 10 CGCDRO Cc1c(C[N@@H+]2CCOCC2(C)C)c2ccccc2n1C ZINC001138257153 803882417 /nfs/dbraw/zinc/88/24/17/803882417.db2.gz YHKZSRNWOFQBOL-UHFFFAOYSA-N 1 0 272.392 3.098 20 10 CGCDRO Cc1c(C[NH+]2CC3(CSC3)C2)c2ccccc2n1C ZINC001138259805 803885128 /nfs/dbraw/zinc/88/51/28/803885128.db2.gz OGHSHOXUSHCTST-UHFFFAOYSA-N 1 0 272.417 3.036 20 10 CGCDRO CN1CCCc2cc(C[N@@H+]3CCC[C@H](F)C3)ccc21 ZINC001138355752 803899985 /nfs/dbraw/zinc/89/99/85/803899985.db2.gz BNFGYXBUQOLBRV-HNNXBMFYSA-N 1 0 262.372 3.003 20 10 CGCDRO Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+](C)C1CC(C)C1 ZINC001139126386 804134637 /nfs/dbraw/zinc/13/46/37/804134637.db2.gz FKJNSLFROIZCGW-UHFFFAOYSA-N 1 0 287.359 3.037 20 10 CGCDRO Oc1cccc(Br)c1C[N@@H+]1CCCC12CC2 ZINC001140098593 804377710 /nfs/dbraw/zinc/37/77/10/804377710.db2.gz GPXMIAIYHFVKBD-UHFFFAOYSA-N 1 0 282.181 3.283 20 10 CGCDRO Cc1ccc(C)c(C[NH+]2CC(c3cccnc3)C2)c1O ZINC001140182186 804395652 /nfs/dbraw/zinc/39/56/52/804395652.db2.gz JWDLVWNZXFLRHH-UHFFFAOYSA-N 1 0 268.360 3.003 20 10 CGCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@@]3(C2)CCCOC3)c1O ZINC001140183304 804397287 /nfs/dbraw/zinc/39/72/87/804397287.db2.gz BCTINLDAYGEJKB-QGZVFWFLSA-N 1 0 275.392 3.012 20 10 CGCDRO Cc1ccc(C)c(C[N@@H+]2CCc3cccc(O)c3C2)c1O ZINC001140184259 804399757 /nfs/dbraw/zinc/39/97/57/804399757.db2.gz PEUDCJPPMRFWBJ-UHFFFAOYSA-N 1 0 283.371 3.273 20 10 CGCDRO Oc1ccc2c(c1)CC[N@@H+](Cc1c(O)cccc1Cl)C2 ZINC001140338481 804418064 /nfs/dbraw/zinc/41/80/64/804418064.db2.gz JUSQZLHFDYNMFM-UHFFFAOYSA-N 1 0 289.762 3.310 20 10 CGCDRO C[C@]1(CO)CCC[N@H+](Cc2c(O)cccc2Cl)CC1 ZINC001140338124 804418444 /nfs/dbraw/zinc/41/84/44/804418444.db2.gz VYEMWMXBXMUSSK-HNNXBMFYSA-N 1 0 283.799 3.030 20 10 CGCDRO C[C@H]1C[C@H]2C[N@H+](Cc3ccc(Cl)cc3O)CC[C@H]2O1 ZINC001140466344 804443332 /nfs/dbraw/zinc/44/33/32/804443332.db2.gz BWHFEODNAWGBLA-ITDIGPHOSA-N 1 0 281.783 3.045 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCCC[C@H]2CN2CCCC2)c1 ZINC001140621297 804476586 /nfs/dbraw/zinc/47/65/86/804476586.db2.gz UVSASLIKPKIKEN-KRWDZBQOSA-N 1 0 288.435 3.151 20 10 CGCDRO Cc1ccc(O)c(CN2CC[C@H](CF)C(F)(F)C2)c1 ZINC001140617039 804476774 /nfs/dbraw/zinc/47/67/74/804476774.db2.gz AWJMKROAXGLQCK-GFCCVEGCSA-N 1 0 273.298 3.127 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](C(=O)c3ccccc3)C2)c1 ZINC001140623773 804477772 /nfs/dbraw/zinc/47/77/72/804477772.db2.gz QRWBAPYLYNAQKP-MRXNPFEDSA-N 1 0 295.382 3.405 20 10 CGCDRO Cc1c(O)ccc(C[N@@H+]2CCC(F)(F)C(C)(C)C2)c1O ZINC001140744064 804503412 /nfs/dbraw/zinc/50/34/12/804503412.db2.gz KLWPSEMDIVGIGB-UHFFFAOYSA-N 1 0 285.334 3.273 20 10 CGCDRO Cc1c(O)ccc(C[NH+]2CCC(c3ccccn3)CC2)c1O ZINC001140746445 804503707 /nfs/dbraw/zinc/50/37/07/804503707.db2.gz ZLSKKVPTPZZFGY-UHFFFAOYSA-N 1 0 298.386 3.181 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCCC23CC3)c(O)c1 ZINC001140850203 804533384 /nfs/dbraw/zinc/53/33/84/804533384.db2.gz GQKUYINFRCYDCF-UHFFFAOYSA-N 1 0 274.408 3.367 20 10 CGCDRO Cc1nccnc1C[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001140937455 804554021 /nfs/dbraw/zinc/55/40/21/804554021.db2.gz GIDSVAWOHSIUFK-UHFFFAOYSA-N 1 0 296.418 3.017 20 10 CGCDRO Cc1ccc(CN2CC[NH+](C3CCCCC3)CC2)c(O)c1 ZINC001140948319 804555982 /nfs/dbraw/zinc/55/59/82/804555982.db2.gz DLKRNJNQFDQJSQ-UHFFFAOYSA-N 1 0 288.435 3.151 20 10 CGCDRO Cc1ccc(C[N@H+](C)C[C@H]2Cc3ccccc3O2)c(O)c1 ZINC001140955479 804558229 /nfs/dbraw/zinc/55/82/29/804558229.db2.gz YXYXELOVKUCXBQ-MRXNPFEDSA-N 1 0 283.371 3.136 20 10 CGCDRO Oc1ccc(O)c(C[NH+]2CCC3(CCCC3)CC2)c1 ZINC001141156699 804600484 /nfs/dbraw/zinc/60/04/84/804600484.db2.gz QXMWLNPHRZNNLI-UHFFFAOYSA-N 1 0 261.365 3.254 20 10 CGCDRO Oc1ccc(O)c(C[N@@H+]2CCC[C@@H]2c2ccccc2)c1 ZINC001141158591 804600653 /nfs/dbraw/zinc/60/06/53/804600653.db2.gz FWWSOMLOJFJRHS-MRXNPFEDSA-N 1 0 269.344 3.435 20 10 CGCDRO Oc1ccc(O)c(C[N@@H+]2CC[C@@H]2c2ccccc2)c1 ZINC001141161763 804601408 /nfs/dbraw/zinc/60/14/08/804601408.db2.gz XEAQVXVSCDXKCU-OAHLLOKOSA-N 1 0 255.317 3.045 20 10 CGCDRO Oc1cc(F)c(F)cc1CN1CCc2ccc(F)cc2C1 ZINC001142525036 804731347 /nfs/dbraw/zinc/73/13/47/804731347.db2.gz USKJGAWHTLOXBF-UHFFFAOYSA-N 1 0 293.288 3.368 20 10 CGCDRO C[N@H+](CCc1ccccc1F)Cc1cc(F)c(F)cc1[O-] ZINC001142531028 804733232 /nfs/dbraw/zinc/73/32/32/804733232.db2.gz NWOYBGFRNQFFIL-UHFFFAOYSA-N 1 0 295.304 3.484 20 10 CGCDRO [O-]c1cc(F)c(F)cc1C[N@H+](CC1CC1)C1CC1 ZINC001142530282 804734124 /nfs/dbraw/zinc/73/41/24/804734124.db2.gz BQSUPWZXXYIILK-UHFFFAOYSA-N 1 0 253.292 3.045 20 10 CGCDRO CCOC(=O)c1ccc(C[N@H+](C)Cc2ccccc2O)cc1 ZINC001142599823 804744118 /nfs/dbraw/zinc/74/41/18/804744118.db2.gz WBKRJZQIYNDSTD-UHFFFAOYSA-N 1 0 299.370 3.201 20 10 CGCDRO C[C@H]1CC[N@H+](Cc2cccc(C(C)(C)C)c2O)CCC1=O ZINC001143103944 804802205 /nfs/dbraw/zinc/80/22/05/804802205.db2.gz NIVYGDAOVOQDGG-ZDUSSCGKSA-N 1 0 289.419 3.491 20 10 CGCDRO CCN(Cc1ccccc1O)c1nc(C)ccc1OC ZINC001154889160 805504164 /nfs/dbraw/zinc/50/41/64/805504164.db2.gz QYMJCOHBNYADRL-UHFFFAOYSA-N 1 0 272.348 3.131 20 10 CGCDRO CCC[C@H](CC)[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001257266577 807082126 /nfs/dbraw/zinc/08/21/26/807082126.db2.gz PGLIALMTHFBECH-AWEZNQCLSA-N 1 0 263.381 3.425 20 10 CGCDRO CCCC[C@H](CC)[NH2+]CCc1ccc(O)c(O)c1 ZINC001257411597 807142529 /nfs/dbraw/zinc/14/25/29/807142529.db2.gz WADARXBXFQLLGT-ZDUSSCGKSA-N 1 0 251.370 3.199 20 10 CGCDRO CCC[C@@H](C)CC[C@H](C)[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC001257473228 807173661 /nfs/dbraw/zinc/17/36/61/807173661.db2.gz YDYKLDLALCUFQH-OLZOCXBDSA-N 1 0 293.407 3.475 20 10 CGCDRO CC(C)=CCC[C@H](C)[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC001258084304 807297421 /nfs/dbraw/zinc/29/74/21/807297421.db2.gz SUTNDOJGBCNJOE-LBPRGKRZSA-N 1 0 277.364 3.005 20 10 CGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)[C@@H]1CCO[C@H](C)C1 ZINC001168138587 807321091 /nfs/dbraw/zinc/32/10/91/807321091.db2.gz AKSAMAIIFKALCR-RHSMWYFYSA-N 1 0 276.424 3.142 20 10 CGCDRO CC1(C)CCC[C@@H]([NH2+]CCc2ccc(O)c(O)c2)C1 ZINC001258276257 807389576 /nfs/dbraw/zinc/38/95/76/807389576.db2.gz DQMUCWAZCGQFBI-CYBMUJFWSA-N 1 0 263.381 3.199 20 10 CGCDRO CCCCC[C@H](CC)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001258429691 807447123 /nfs/dbraw/zinc/44/71/23/807447123.db2.gz AQCAHDIBCGEJDN-XJKSGUPXSA-N 1 0 281.396 3.080 20 10 CGCDRO CCCC1CCC([NH2+]C[C@H](O)c2ccc(O)c(O)c2)CC1 ZINC001258527935 807484702 /nfs/dbraw/zinc/48/47/02/807484702.db2.gz ZESXTXYXOHMNKO-AJUCZRQESA-N 1 0 293.407 3.080 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]CCc2cc(O)c(O)cc2O)CC(C)(C)C1 ZINC001258687566 807543657 /nfs/dbraw/zinc/54/36/57/807543657.db2.gz RBZGOTHCHNSWHR-DGCLKSJQSA-N 1 0 293.407 3.150 20 10 CGCDRO CC[C@@H](C)C[C@@H](CC)[NH2+]Cc1cccc(O)c1O ZINC001258786039 807612139 /nfs/dbraw/zinc/61/21/39/807612139.db2.gz YRLRUPKAYMBKGZ-DGCLKSJQSA-N 1 0 251.370 3.402 20 10 CGCDRO Cc1ccc(NCc2ccc(O)c(O)c2)c(C[NH+](C)C)c1 ZINC001169997155 807736639 /nfs/dbraw/zinc/73/66/39/807736639.db2.gz SYVIHOKSLAWZAU-UHFFFAOYSA-N 1 0 286.375 3.080 20 10 CGCDRO CN(c1cc(F)c(OC(F)(F)F)c(F)c1)C(C)(C)C[NH3+] ZINC001170059296 807743713 /nfs/dbraw/zinc/74/37/13/807743713.db2.gz RDHBZRMEFJGKCA-UHFFFAOYSA-N 1 0 298.255 3.037 20 10 CGCDRO CC(C)CCC[C@H](C)[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC001170064557 807745912 /nfs/dbraw/zinc/74/59/12/807745912.db2.gz QOAWGGUDYYMOAC-LBPRGKRZSA-N 1 0 279.380 3.085 20 10 CGCDRO Nc1ccc(C[NH+]2CCC([C@@H](O)c3ccccc3)CC2)cc1 ZINC001262486869 807867350 /nfs/dbraw/zinc/86/73/50/807867350.db2.gz COFMTKKOOVBGKK-IBGZPJMESA-N 1 0 296.414 3.214 20 10 CGCDRO C[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2C)c1ccccc1O ZINC001172105109 808176777 /nfs/dbraw/zinc/17/67/77/808176777.db2.gz GUNGJEUHPCLYJF-XQLPTFJDSA-N 1 0 274.408 3.058 20 10 CGCDRO CC[C@H](CC(C)C)[NH2+]CCc1ccc(O)c(O)c1 ZINC001172390354 808281571 /nfs/dbraw/zinc/28/15/71/808281571.db2.gz UPRZKYHLKOGEJL-CYBMUJFWSA-N 1 0 251.370 3.055 20 10 CGCDRO Oc1cccc(C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)c1O ZINC001172712410 808414556 /nfs/dbraw/zinc/41/45/56/808414556.db2.gz KLWKCAHDRRAHAB-AWEZNQCLSA-N 1 0 289.762 3.008 20 10 CGCDRO CO[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC001172923142 808482219 /nfs/dbraw/zinc/48/22/19/808482219.db2.gz MCUDNXUWCBQRPM-YSVLISHTSA-N 1 0 276.424 3.361 20 10 CGCDRO CCO[C@H]1CCC[C@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)C1 ZINC001177548562 809808920 /nfs/dbraw/zinc/80/89/20/809808920.db2.gz JMUWHNAIFBGAQQ-GJZGRUSLSA-N 1 0 294.414 3.329 20 10 CGCDRO CO[C@H](C[NH2+]C/C=C\c1ccc(N(C)C)cc1)CC(C)C ZINC001178977889 809896968 /nfs/dbraw/zinc/89/69/68/809896968.db2.gz RGYAIIADJFWSIO-MJRGOJFPSA-N 1 0 290.451 3.417 20 10 CGCDRO CC(C)[C@@H](CO)[C@@H]([NH2+]Cc1ccc(Cl)cc1O)C(C)C ZINC001181893758 810081361 /nfs/dbraw/zinc/08/13/61/810081361.db2.gz TYEDFLZSZBGHNX-ZBFHGGJFSA-N 1 0 299.842 3.424 20 10 CGCDRO COc1cc(C)c(C[NH2+]CCCC2CCC2)c(O)c1 ZINC001182940685 810131310 /nfs/dbraw/zinc/13/13/10/810131310.db2.gz AJBHDVCWIPZFCI-UHFFFAOYSA-N 1 0 263.381 3.379 20 10 CGCDRO C[C@H]([NH2+]Cc1nccn1-c1ccccc1)c1ccccc1O ZINC001197002601 811389534 /nfs/dbraw/zinc/38/95/34/811389534.db2.gz BVBNWINKUZMOCQ-AWEZNQCLSA-N 1 0 293.370 3.429 20 10 CGCDRO Cc1ncsc1CCC[NH2+][C@@H](C)c1ccccc1O ZINC001197013545 811392755 /nfs/dbraw/zinc/39/27/55/811392755.db2.gz VUMDREYTFGKDNW-NSHDSACASA-N 1 0 276.405 3.441 20 10 CGCDRO CN(c1ccc(N)cc1)c1cccc(C[NH+](C)C)c1 ZINC001201403517 811831034 /nfs/dbraw/zinc/83/10/34/811831034.db2.gz YBHKQSMUYJGKAB-UHFFFAOYSA-N 1 0 255.365 3.098 20 10 CGCDRO COc1ccc(C[N@@H+]2CC[C@@H]3CCC[C@H]3C2)c(O)c1 ZINC001203621379 812409654 /nfs/dbraw/zinc/40/96/54/812409654.db2.gz BZSJGOAIUSFPEX-STQMWFEESA-N 1 0 261.365 3.023 20 10 CGCDRO COc1ccc(C[NH+]2CC3CCC(CC3)C2)c(O)c1 ZINC001203634666 812412640 /nfs/dbraw/zinc/41/26/40/812412640.db2.gz QJNKZVFLGMTBDN-UHFFFAOYSA-N 1 0 261.365 3.023 20 10 CGCDRO CC[N@H+](Cc1cccnc1)Cc1cc(Cl)ccc1O ZINC001203658524 812418900 /nfs/dbraw/zinc/41/89/00/812418900.db2.gz ZHYQJUOJTOATGB-UHFFFAOYSA-N 1 0 276.767 3.463 20 10 CGCDRO Oc1ccc(C[N@@H+]2CCC[C@@H]2c2ccccc2)cc1O ZINC001203879686 812478085 /nfs/dbraw/zinc/47/80/85/812478085.db2.gz XWTUIXRUEMCNOO-OAHLLOKOSA-N 1 0 269.344 3.435 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCc3cnccc3C2)cc1 ZINC001203936096 812495962 /nfs/dbraw/zinc/49/59/62/812495962.db2.gz IXMVNEZKZLWHIZ-UHFFFAOYSA-N 1 0 295.430 3.486 20 10 CGCDRO COC(C)(C)[C@H]1CCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC001203933663 812496255 /nfs/dbraw/zinc/49/62/55/812496255.db2.gz DNTRJBKUUZDEOQ-MRXNPFEDSA-N 1 0 276.424 3.142 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCc3ncccc3C2)cc1 ZINC001203938628 812497578 /nfs/dbraw/zinc/49/75/78/812497578.db2.gz ACSIEDQKQGFXPB-UHFFFAOYSA-N 1 0 295.430 3.486 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)cc1 ZINC001203939345 812497590 /nfs/dbraw/zinc/49/75/90/812497590.db2.gz OYFNUIGSHWCNSU-BHYGNILZSA-N 1 0 276.399 3.465 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H]3OCC[C@@H]3C2)cc1 ZINC001203941582 812497791 /nfs/dbraw/zinc/49/77/91/812497791.db2.gz CGCZZACDZSKFOO-SJLPKXTDSA-N 1 0 288.435 3.144 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H](CO)CC[C@H]2C)cc1 ZINC001203936828 812497811 /nfs/dbraw/zinc/49/78/11/812497811.db2.gz OXFQOEZUFPLCKX-NVXWUHKLSA-N 1 0 290.451 3.126 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](F)C2)c2ccccc21 ZINC001204232642 812579840 /nfs/dbraw/zinc/57/98/40/812579840.db2.gz HJYZMUPEDOJRMN-AWEZNQCLSA-N 1 0 272.367 3.450 20 10 CGCDRO C[C@H]1C[C@@H](CO)[N@H+](Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001204233364 812580402 /nfs/dbraw/zinc/58/04/02/812580402.db2.gz QTJDHFLEJAQCEF-HOCLYGCPSA-N 1 0 298.430 3.109 20 10 CGCDRO Oc1ccc(C[N@@H+]2CC[C@@H](c3ccccc3F)C2)c(O)c1 ZINC001204275306 812595170 /nfs/dbraw/zinc/59/51/70/812595170.db2.gz OLGKPHCRECAVPT-GFCCVEGCSA-N 1 0 287.334 3.226 20 10 CGCDRO C[C@]1(O)CCCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204326453 812613809 /nfs/dbraw/zinc/61/38/09/812613809.db2.gz YFHQINXVRRLMRU-SFHVURJKSA-N 1 0 288.435 3.024 20 10 CGCDRO c1cnc2c(c1)C[N@H+](Cc1ccc(N3CCCC3)cc1)CC2 ZINC001204327556 812613928 /nfs/dbraw/zinc/61/39/28/812613928.db2.gz YPCARUZJLRLDPY-UHFFFAOYSA-N 1 0 293.414 3.240 20 10 CGCDRO COc1cc(C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)cc(O)c1O ZINC001204345129 812615758 /nfs/dbraw/zinc/61/57/58/812615758.db2.gz MIFUPRUBNCFDAQ-UONOGXRCSA-N 1 0 291.391 3.261 20 10 CGCDRO CC(C)c1ccc(O)c(CN2CCC([NH+](C)C)CC2)c1 ZINC001204411194 812632713 /nfs/dbraw/zinc/63/27/13/812632713.db2.gz LTMIOUIADYCJMT-UHFFFAOYSA-N 1 0 276.424 3.042 20 10 CGCDRO Cc1cc(CN2CCC[C@](C)([NH3+])C2)c(C)n1-c1ccccc1 ZINC001204940446 812788199 /nfs/dbraw/zinc/78/81/99/812788199.db2.gz XLHWNBSZKAYJJP-IBGZPJMESA-N 1 0 297.446 3.407 20 10 CGCDRO CC[C@@H]1CO[C@H](C)C[N@@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC001205178581 812900753 /nfs/dbraw/zinc/90/07/53/812900753.db2.gz XCJIOPMNUNMOGU-RUBBHVMPSA-N 1 0 288.435 3.265 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@H](CO)C(C)(C)C)cc1C ZINC001205306258 812944341 /nfs/dbraw/zinc/94/43/41/812944341.db2.gz PAVOBKWSKXAELO-MRXNPFEDSA-N 1 0 279.424 3.280 20 10 CGCDRO Cc1cc(CN2CC[NH2+]CC[C@H]2C)c(C)n1-c1ccccc1 ZINC001205324836 812954675 /nfs/dbraw/zinc/95/46/75/812954675.db2.gz GSVLQUDBMOXVTA-OAHLLOKOSA-N 1 0 297.446 3.278 20 10 CGCDRO Cc1cc(CN2CC[C@@H](C)[C@@H]([NH3+])C2)c(C)n1-c1ccccc1 ZINC001205868707 813114142 /nfs/dbraw/zinc/11/41/42/813114142.db2.gz ONRYRRNQZFDEDT-KUHUBIRLSA-N 1 0 297.446 3.263 20 10 CGCDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)Cc1ccc[nH]c1=O ZINC001207002656 813463842 /nfs/dbraw/zinc/46/38/42/813463842.db2.gz AAWFQHOXJONKED-UHFFFAOYSA-N 1 0 297.402 3.019 20 10 CGCDRO CC[C@@H](C[C@H](C)O)[NH2+]Cc1cc(C(C)C)ccc1O ZINC001207225766 813518402 /nfs/dbraw/zinc/51/84/02/813518402.db2.gz PHHBAQKVQMWHOJ-WFASDCNBSA-N 1 0 265.397 3.155 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CCC[C@@H](O)C2)cc1 ZINC001209519526 814072341 /nfs/dbraw/zinc/07/23/41/814072341.db2.gz WWLRGNYDHQYURD-GOSISDBHSA-N 1 0 284.403 3.051 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(CN2CC[NH2+][C@@H](C)CC2)cc1 ZINC001210474057 814477664 /nfs/dbraw/zinc/47/76/64/814477664.db2.gz DCSOAUPVJHJEGW-HNNXBMFYSA-N 1 0 297.446 3.278 20 10 CGCDRO CCCC[C@H](C)Oc1ccc(N2CC[NH2+]CC2)cc1 ZINC001218222698 816131821 /nfs/dbraw/zinc/13/18/21/816131821.db2.gz FMDKJDHJQBRPKM-AWEZNQCLSA-N 1 0 262.397 3.054 20 10 CGCDRO C[C@H]1CCC[C@H](C)C1Oc1ccc(N2CC[NH2+]CC2)cc1 ZINC001218352169 816175140 /nfs/dbraw/zinc/17/51/40/816175140.db2.gz CAOKFIUVKKTZFP-GJZGRUSLSA-N 1 0 288.435 3.300 20 10 CGCDRO C[C@H](Oc1ccc(N2CC[NH2+]CC2)cc1)C1CCCC1 ZINC001218359337 816178385 /nfs/dbraw/zinc/17/83/85/816178385.db2.gz VIQAXQLCGZMZJD-AWEZNQCLSA-N 1 0 274.408 3.054 20 10 CGCDRO Cc1cc(Cl)cc(CN2CCC[C@]3(CCC[NH2+]3)C2)c1O ZINC001222360518 816418810 /nfs/dbraw/zinc/41/88/10/816418810.db2.gz QZTIUWXTOQDVAV-MRXNPFEDSA-N 1 0 294.826 3.072 20 10 CGCDRO CC(C)(C)c1ccc(O)c(CN2CC[C@@]3(CCC[NH2+]3)C2)c1 ZINC001222471033 816452235 /nfs/dbraw/zinc/45/22/35/816452235.db2.gz KJHVQVQBKHWKIV-SFHVURJKSA-N 1 0 288.435 3.018 20 10 CGCDRO CC(C)(C)c1ccc(O)c(CN2CC[C@]3(CCC[NH2+]3)C2)c1 ZINC001222471031 816452470 /nfs/dbraw/zinc/45/24/70/816452470.db2.gz KJHVQVQBKHWKIV-GOSISDBHSA-N 1 0 288.435 3.018 20 10 CGCDRO CN(C)c1ccc(O[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001227940867 817760320 /nfs/dbraw/zinc/76/03/20/817760320.db2.gz PBYNWJLVRXSZHJ-IBGZPJMESA-N 1 0 296.414 3.406 20 10 CGCDRO Oc1cc(OCc2ccccc2)ccc1C[NH+]1CCC1 ZINC001231465952 818105295 /nfs/dbraw/zinc/10/52/95/818105295.db2.gz JCDKGIFELSUFDM-UHFFFAOYSA-N 1 0 269.344 3.177 20 10 CGCDRO C[N@H+](Cc1cc(Br)c[nH]1)Cc1ccccc1O ZINC001231580502 818128104 /nfs/dbraw/zinc/12/81/04/818128104.db2.gz RRINNJOGXWHSGM-UHFFFAOYSA-N 1 0 295.180 3.115 20 10 CGCDRO O=C1CCC[C@@H]2C[N@@H+](Cc3c(O)ccc4ccccc43)C[C@H]12 ZINC001231590631 818132172 /nfs/dbraw/zinc/13/21/72/818132172.db2.gz CITMIYAYXJSUMV-ZBFHGGJFSA-N 1 0 295.382 3.346 20 10 CGCDRO COc1cc(C[NH+]2CCC(C(C)(C)C)CC2)c(O)cc1O ZINC001231634473 818143920 /nfs/dbraw/zinc/14/39/20/818143920.db2.gz NPEIXOWXYYYPBB-UHFFFAOYSA-N 1 0 293.407 3.365 20 10 CGCDRO CCN(CC[NH+](CC)CC)Cc1c(C)cc(C)cc1O ZINC001231845509 818186971 /nfs/dbraw/zinc/18/69/71/818186971.db2.gz NPWIGPCAHRVZMN-UHFFFAOYSA-N 1 0 278.440 3.173 20 10 CGCDRO Cc1cc(C)c(C[N@@H+]2CCC[C@H](CF)C2)c(O)c1 ZINC001231846398 818187002 /nfs/dbraw/zinc/18/70/02/818187002.db2.gz LDDLHLSGKJDFSJ-CYBMUJFWSA-N 1 0 251.345 3.191 20 10 CGCDRO CCC1CC[NH+](Cc2ccc(N(C)C)cc2OC)CC1 ZINC001231848929 818187372 /nfs/dbraw/zinc/18/73/72/818187372.db2.gz LGTBWXYUSRXABK-UHFFFAOYSA-N 1 0 276.424 3.383 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@](C)(O)[C@@H](C)C2)cc1Cl ZINC001231867960 818191879 /nfs/dbraw/zinc/19/18/79/818191879.db2.gz OTYCZOPBUZYWNH-BLLLJJGKSA-N 1 0 297.826 3.337 20 10 CGCDRO CC[N@H+](Cc1cc(Cl)c(C)cc1O)C1CCOCC1 ZINC001231870776 818193195 /nfs/dbraw/zinc/19/31/95/818193195.db2.gz SJTNFMLFKFHQOR-UHFFFAOYSA-N 1 0 283.799 3.355 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2CC[C@@H](C)[C@@](C)(O)CC2)cc1Cl ZINC001231869428 818193295 /nfs/dbraw/zinc/19/32/95/818193295.db2.gz QGFAPPQDSLFXJG-WBMJQRKESA-N 1 0 297.826 3.337 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)cc1Cl ZINC001231869822 818194239 /nfs/dbraw/zinc/19/42/39/818194239.db2.gz ZWIGDMSIUOHLAD-BLLLJJGKSA-N 1 0 295.810 3.355 20 10 CGCDRO Oc1c(C[N@@H+]2CCc3ccncc3C2)ccc2ccccc21 ZINC001231881593 818198778 /nfs/dbraw/zinc/19/87/78/818198778.db2.gz XYRSZPYHEMMDKM-UHFFFAOYSA-N 1 0 290.366 3.499 20 10 CGCDRO CC[C@@H]1COCC[N@@H+]1Cc1ccc2ccccc2c1O ZINC001231881599 818200302 /nfs/dbraw/zinc/20/03/02/818200302.db2.gz YBWXRXAGHKIBBR-OAHLLOKOSA-N 1 0 271.360 3.156 20 10 CGCDRO CC[N@H+](CCn1ccnc1)Cc1ccc2ccccc2c1O ZINC001231882384 818202309 /nfs/dbraw/zinc/20/23/09/818202309.db2.gz JJRABMUANHBLLO-UHFFFAOYSA-N 1 0 295.386 3.264 20 10 CGCDRO COc1cc(O)c(C[N@H+](C)C2CC(C)C2)cc1Cl ZINC001232266638 818298295 /nfs/dbraw/zinc/29/82/95/818298295.db2.gz QPIPRNFOXMLLBK-UHFFFAOYSA-N 1 0 269.772 3.285 20 10 CGCDRO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1cc(Cl)c(O)cc1O ZINC001232267540 818298588 /nfs/dbraw/zinc/29/85/88/818298588.db2.gz ISZOZXBIWWBROT-VHSXEESVSA-N 1 0 269.772 3.372 20 10 CGCDRO Oc1cc(O)c(C[N@@H+]2CCc3ccsc3C2)cc1Cl ZINC001232268803 818299481 /nfs/dbraw/zinc/29/94/81/818299481.db2.gz SGVHGXGOOXAANT-UHFFFAOYSA-N 1 0 295.791 3.371 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)Cc2cc(F)ccc2N)cc1 ZINC001232510920 818376911 /nfs/dbraw/zinc/37/69/11/818376911.db2.gz JSACFNYYICQRSJ-UHFFFAOYSA-N 1 0 287.382 3.106 20 10 CGCDRO C[C@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2O)CC1 ZINC001232836745 818453704 /nfs/dbraw/zinc/45/37/04/818453704.db2.gz SKLQNDUQSOHYHD-ZDUSSCGKSA-N 1 0 262.397 3.080 20 10 CGCDRO Cc1cc(Br)cc(C[N@@H+]2CCC[C@H]3C[C@H]32)c1O ZINC001233111775 818524351 /nfs/dbraw/zinc/52/43/51/818524351.db2.gz XECAJHKBAHXYEO-GXFFZTMASA-N 1 0 296.208 3.447 20 10 CGCDRO C[C@@H]1C[N@@H+](Cc2cc(C(C)(C)C)ccc2O)C[C@H](C)O1 ZINC001233283817 818566306 /nfs/dbraw/zinc/56/63/06/818566306.db2.gz XDOXPLJUFDUQPY-BETUJISGSA-N 1 0 277.408 3.299 20 10 CGCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CCOC3(CC3)C2)c1 ZINC001233287046 818567997 /nfs/dbraw/zinc/56/79/97/818567997.db2.gz UKPNOMRBPBOTHL-UHFFFAOYSA-N 1 0 275.392 3.055 20 10 CGCDRO C[C@H]1CC[C@@H](CO)C[N@@H+]1Cc1cc(C(C)(C)C)ccc1O ZINC001233284336 818568461 /nfs/dbraw/zinc/56/84/61/818568461.db2.gz QSUCJBKWZRSUSX-UONOGXRCSA-N 1 0 291.435 3.283 20 10 CGCDRO CCC1(O)CC[NH+](Cc2cc(C(C)(C)C)ccc2O)CC1 ZINC001233286163 818568648 /nfs/dbraw/zinc/56/86/48/818568648.db2.gz HYQRXNBQHGALQW-UHFFFAOYSA-N 1 0 291.435 3.427 20 10 CGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC3(CC3)C2)c1O ZINC001233287950 818571049 /nfs/dbraw/zinc/57/10/49/818571049.db2.gz OSNLGCRZFJMIJW-UHFFFAOYSA-N 1 0 267.756 3.040 20 10 CGCDRO CC(C)[N@H+](CCCCCO)Cc1c([O-])ccc(F)c1F ZINC001233336597 818588825 /nfs/dbraw/zinc/58/88/25/818588825.db2.gz RQFUVBZSRWZHDL-UHFFFAOYSA-N 1 0 287.350 3.043 20 10 CGCDRO C[N@H+](Cc1cccc(Cl)c1)Cc1cc(O)c(O)cc1O ZINC001233485099 818624667 /nfs/dbraw/zinc/62/46/67/818624667.db2.gz IUOFEBCPJHSORZ-UHFFFAOYSA-N 1 0 293.750 3.089 20 10 CGCDRO C[C@@H]1C[NH2+][C@@H](C)CN1Cc1ccc(N(C)C)c2ccccc12 ZINC001235441259 819099251 /nfs/dbraw/zinc/09/92/51/819099251.db2.gz JSMUEVNNWCOBHE-LSDHHAIUSA-N 1 0 297.446 3.088 20 10 CGCDRO CC(C)(C)c1ccc(C[N@@H+]2CCOCC23CCC3)c(O)c1 ZINC001235679541 819137976 /nfs/dbraw/zinc/13/79/76/819137976.db2.gz PILOTLLPIIZMPE-UHFFFAOYSA-N 1 0 289.419 3.445 20 10 CGCDRO Cc1cc(CN2C[C@@H]([NH3+])CC[C@H]2C)c(C)n1-c1ccccc1 ZINC001235892468 819201508 /nfs/dbraw/zinc/20/15/08/819201508.db2.gz RHFUVEOLPVLXLB-KDOFPFPSSA-N 1 0 297.446 3.406 20 10 CGCDRO C[C@H]1CC[C@H]([NH3+])CN1Cc1cc(Cl)c(Cl)cc1O ZINC001235907543 819217594 /nfs/dbraw/zinc/21/75/94/819217594.db2.gz QLALXRCLWKFPIT-WPRPVWTQSA-N 1 0 289.206 3.011 20 10 CGCDRO Nc1ccc(C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)cc1 ZINC001235933634 819230968 /nfs/dbraw/zinc/23/09/68/819230968.db2.gz IDXKTMNUIOWJDR-OAHLLOKOSA-N 1 0 270.351 3.397 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(CN2C[C@@H](C)C[C@H]([NH3+])C2)cc1 ZINC001236050490 819287565 /nfs/dbraw/zinc/28/75/65/819287565.db2.gz STXXKNXURVEWHU-KSSFIOAISA-N 1 0 297.446 3.263 20 10 CGCDRO CCCC[C@@H]1CN(Cc2c(C)n(C)c3ccccc32)CC[NH2+]1 ZINC001236138971 819340208 /nfs/dbraw/zinc/34/02/08/819340208.db2.gz KQAOGBLAEKUBGJ-MRXNPFEDSA-N 1 0 299.462 3.451 20 10 CGCDRO CCCC[C@@H]1CN(Cc2cc(Cl)cc(C)c2O)CC[NH2+]1 ZINC001236140281 819340706 /nfs/dbraw/zinc/34/07/06/819340706.db2.gz CLZKHISFKBZKSA-OAHLLOKOSA-N 1 0 296.842 3.318 20 10 CGCDRO Cc1cc(CN2CCC[C@@H]([NH3+])[C@H]2C)c(C)n1-c1ccccc1 ZINC001236421655 819468218 /nfs/dbraw/zinc/46/82/18/819468218.db2.gz RNYSYKBCZXTNGF-VQIMIIECSA-N 1 0 297.446 3.406 20 10 CGCDRO C[C@H]1CN(Cc2cccc(-c3ccccc3)c2O)C[C@H](C)[NH2+]1 ZINC001236423587 819470692 /nfs/dbraw/zinc/47/06/92/819470692.db2.gz ATSGFJXQGGBHJN-GJZGRUSLSA-N 1 0 296.414 3.241 20 10 CGCDRO Cc1ccc2c(c1)CC[N@@H+](Cc1ccc(N)cc1)C2 ZINC001236606393 819550685 /nfs/dbraw/zinc/55/06/85/819550685.db2.gz UJYYMQCWDVMWIA-UHFFFAOYSA-N 1 0 252.361 3.136 20 10 CGCDRO Oc1ccc(OCc2ccccc2)cc1C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC001236778088 819592970 /nfs/dbraw/zinc/59/29/70/819592970.db2.gz BWLLTYYUNLPMDQ-IYBDPMFKSA-N 1 0 295.382 3.423 20 10 CGCDRO C[N@H+](CCF)Cc1cc(OCc2ccccc2)ccc1O ZINC001236781419 819594194 /nfs/dbraw/zinc/59/41/94/819594194.db2.gz CPOBQJZSCCNUAO-UHFFFAOYSA-N 1 0 289.350 3.373 20 10 CGCDRO CCc1ccc(C[N@@H+]2CCC[C@@H]2C(C)(C)OC)c(O)c1 ZINC001236787210 819594690 /nfs/dbraw/zinc/59/46/90/819594690.db2.gz ALRYJKKZPZEDAP-MRXNPFEDSA-N 1 0 277.408 3.344 20 10 CGCDRO CCc1ccc(C[N@@H+]2CCCC[C@@H]2CCOC)c(O)c1 ZINC001236790919 819595441 /nfs/dbraw/zinc/59/54/41/819595441.db2.gz YSKCQHZODSRCPN-MRXNPFEDSA-N 1 0 277.408 3.346 20 10 CGCDRO CCCCC[NH+]1CCN(Cc2ccc(CC)cc2O)CC1 ZINC001236788730 819595970 /nfs/dbraw/zinc/59/59/70/819595970.db2.gz NXLQSFRZAWHGKH-UHFFFAOYSA-N 1 0 290.451 3.262 20 10 CGCDRO CCc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)C2)c(O)c1 ZINC001236794425 819596792 /nfs/dbraw/zinc/59/67/92/819596792.db2.gz MLBAALMZIXQLAK-LBPRGKRZSA-N 1 0 273.298 3.339 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CCC3(CCCC3)C2)c(O)c1 ZINC001236814516 819603571 /nfs/dbraw/zinc/60/35/71/819603571.db2.gz SWHPEPSBPJSVRV-UHFFFAOYSA-N 1 0 275.392 3.475 20 10 CGCDRO C[C@@H]1CC[C@@H](CO)C[N@@H+]1Cc1cc2ccccc2cc1O ZINC001236827663 819610429 /nfs/dbraw/zinc/61/04/29/819610429.db2.gz VOSBXCFFJUJLFI-ZIAGYGMSSA-N 1 0 285.387 3.138 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2C[C@H](CO)CC[C@@H]2C)c(O)c1 ZINC001237044420 819649883 /nfs/dbraw/zinc/64/98/83/819649883.db2.gz CSPWCAVZNIYEHS-UONOGXRCSA-N 1 0 277.408 3.108 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](O)CC2)c(O)c1 ZINC001237044812 819650433 /nfs/dbraw/zinc/65/04/33/819650433.db2.gz DSMJAPIKXUXXRC-CJNGLKHVSA-N 1 0 277.408 3.108 20 10 CGCDRO CCN1CC[N@H+](Cc2ccc(C(C)C)cc2O)C(C)(C)C1 ZINC001237052077 819653006 /nfs/dbraw/zinc/65/30/06/819653006.db2.gz SYGYXQSFKGRJSV-UHFFFAOYSA-N 1 0 290.451 3.432 20 10 CGCDRO CC(C)C[N@H+](C)Cc1c(O)cccc1OC(F)(F)F ZINC001237119784 819671385 /nfs/dbraw/zinc/67/13/85/819671385.db2.gz KZLPNHLUYQMGPL-UHFFFAOYSA-N 1 0 277.286 3.379 20 10 CGCDRO CC1(C)[C@@H]2C[N@@H+](Cc3c(O)ccc(F)c3Cl)C[C@@H]21 ZINC001237127032 819674016 /nfs/dbraw/zinc/67/40/16/819674016.db2.gz SGHZLOQMHQOXDV-AOOOYVTPSA-N 1 0 269.747 3.273 20 10 CGCDRO Oc1ccc(C(F)(F)F)cc1C[NH+]1CCCCC1 ZINC001237137103 819675491 /nfs/dbraw/zinc/67/54/91/819675491.db2.gz LXNPQQAPIVPHFY-UHFFFAOYSA-N 1 0 259.271 3.397 20 10 CGCDRO Cc1cccc(O)c1C[N@H+](C)CCC(=O)c1cccs1 ZINC001237491942 819763828 /nfs/dbraw/zinc/76/38/28/819763828.db2.gz NBYHZOOPRAILRG-UHFFFAOYSA-N 1 0 289.400 3.467 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@H](Oc2ccncc2)C1 ZINC001237494297 819764196 /nfs/dbraw/zinc/76/41/96/819764196.db2.gz HCYSVROESBFGML-MRXNPFEDSA-N 1 0 298.386 3.139 20 10 CGCDRO Cc1cccc(O)c1C[N@H+]1CC[C@@H](Oc2ncccc2C)C1 ZINC001237494691 819764790 /nfs/dbraw/zinc/76/47/90/819764790.db2.gz KLQNVSLOCVSRLS-OAHLLOKOSA-N 1 0 298.386 3.057 20 10 CGCDRO COc1cc(C[NH+]2[C@H](C)CCC[C@H]2C)c(O)c(OC)c1 ZINC001237674407 819803005 /nfs/dbraw/zinc/80/30/05/819803005.db2.gz GIEIRGRSSMBENT-VXGBXAGGSA-N 1 0 279.380 3.172 20 10 CGCDRO Cc1cc(O)c(C[N@@H+](C)C(C)C)cc1Br ZINC001237678252 819803792 /nfs/dbraw/zinc/80/37/92/819803792.db2.gz XENSLVVXYDBAOO-UHFFFAOYSA-N 1 0 272.186 3.303 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]3C[C@@H]32)c1O ZINC001237688892 819808847 /nfs/dbraw/zinc/80/88/47/819808847.db2.gz KCPAZVARWVRHMA-MFKMUULPSA-N 1 0 251.757 3.338 20 10 CGCDRO [O-]c1c(Cl)cc(F)cc1C[N@@H+]1CC[C@H]2CCCO[C@@H]2C1 ZINC001237799175 819844294 /nfs/dbraw/zinc/84/42/94/819844294.db2.gz DSTZZDDWUBNCAB-QMTHXVAHSA-N 1 0 299.773 3.186 20 10 CGCDRO C[C@@H]1C[C@H](F)CN1Cc1cc(F)c(Cl)cc1O ZINC001237934117 819884123 /nfs/dbraw/zinc/88/41/23/819884123.db2.gz HLQWPVZVXSYAAT-APPZFPTMSA-N 1 0 261.699 3.117 20 10 CGCDRO Cc1cc(F)cc(C[NH+]2C[C@@H]3CCCC[C@H]3C2)c1O ZINC001238058311 819921130 /nfs/dbraw/zinc/92/11/30/819921130.db2.gz QDPLQXYRHUDETD-STQMWFEESA-N 1 0 263.356 3.462 20 10 CGCDRO Cc1cc(F)cc(C[N@@H+]2CCC[C@@H](C(F)F)C2)c1O ZINC001238063347 819921274 /nfs/dbraw/zinc/92/12/74/819921274.db2.gz VTUYCYSUADBFLO-SNVBAGLBSA-N 1 0 273.298 3.317 20 10 CGCDRO COC(C)(C)[C@H]1CCC[N@@H+]1Cc1cc(F)cc(C)c1O ZINC001238060610 819921309 /nfs/dbraw/zinc/92/13/09/819921309.db2.gz CGPCWSOKIRRABV-CQSZACIVSA-N 1 0 281.371 3.229 20 10 CGCDRO Cc1cc(F)cc(C[NH+]2CC(c3ccccc3)C2)c1O ZINC001238071411 819924822 /nfs/dbraw/zinc/92/48/22/819924822.db2.gz WUJVOOLHORHIER-UHFFFAOYSA-N 1 0 271.335 3.439 20 10 CGCDRO C[C@H]([NH3+])c1ccc(-c2ccc3ccn(C)c3c2)cn1 ZINC001240576811 821162428 /nfs/dbraw/zinc/16/24/28/821162428.db2.gz MILRNHQLYQYURM-NSHDSACASA-N 1 0 251.333 3.260 20 10 CGCDRO CC[C@@H]1OCC[C@H]1[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2C ZINC001345076125 936800552 /nfs/dbraw/zinc/80/05/52/936800552.db2.gz DADSFIJPQFOLSB-JLNYLFASSA-N 1 0 275.392 3.406 20 10 CGCDRO CCC[N@H+](Cc1ccc(N)cc1)Cc1ccccc1O ZINC001345159564 936804798 /nfs/dbraw/zinc/80/47/98/936804798.db2.gz KFOANNCRUNERGR-UHFFFAOYSA-N 1 0 270.376 3.387 20 10 CGCDRO CO[C@H]1CC[C@H]([NH2+]Cc2cc(Cl)c(C)cc2O)C1 ZINC001347393982 936882503 /nfs/dbraw/zinc/88/25/03/936882503.db2.gz FWFZQYCHWXABOM-RYUDHWBXSA-N 1 0 269.772 3.011 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC001351350666 937015130 /nfs/dbraw/zinc/01/51/30/937015130.db2.gz FNJMRWUAAJBRGA-DSRCVFDASA-N 1 0 287.403 3.406 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC001351350667 937015366 /nfs/dbraw/zinc/01/53/66/937015366.db2.gz FNJMRWUAAJBRGA-OEYIWLLWSA-N 1 0 287.403 3.406 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2C[C@H]2CC(C)(C)C)c(O)c1OC ZINC001352067272 937034691 /nfs/dbraw/zinc/03/46/91/937034691.db2.gz ZINMKSBUNQQJHA-QWHCGFSZSA-N 1 0 293.407 3.324 20 10 CGCDRO COc1cccc(F)c1C[NH2+]Cc1cc(C)c(C)cc1O ZINC001352099196 937036478 /nfs/dbraw/zinc/03/64/78/937036478.db2.gz ZCOFVTPUVONTRV-UHFFFAOYSA-N 1 0 289.350 3.447 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C/C(Cl)=C\Cl)c1 ZINC000588382542 926730663 /nfs/dbraw/zinc/73/06/63/926730663.db2.gz WUJTZGDGKFMMKF-GTUWVTDSSA-N 1 0 276.163 3.370 20 10 CGCDRO Nc1ccc(C[NH2+]C2(c3ccccc3)CCOCC2)cc1 ZINC001356083737 937152662 /nfs/dbraw/zinc/15/26/62/937152662.db2.gz ZNHLJMRSFWJVDE-UHFFFAOYSA-N 1 0 282.387 3.064 20 10 CGCDRO Nc1ccc(C[NH2+]C2(c3cccc(F)c3)CC2)cc1 ZINC001356082680 937152872 /nfs/dbraw/zinc/15/28/72/937152872.db2.gz BXESTEIVDASMAK-UHFFFAOYSA-N 1 0 256.324 3.187 20 10 CGCDRO CCOCCC[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC000019963054 928046411 /nfs/dbraw/zinc/04/64/11/928046411.db2.gz LOCAPTMEDHAVMB-CHWSQXEVSA-N 1 0 263.381 3.265 20 10 CGCDRO Cc1ccc(CC[NH2+]Cc2ccc(N)cc2)c(C)c1 ZINC000259047476 928230451 /nfs/dbraw/zinc/23/04/51/928230451.db2.gz QAIPAUQMUCAWDZ-UHFFFAOYSA-N 1 0 254.377 3.218 20 10 CGCDRO C[C@H]1C[C@H]([NH2+]Cc2ccccc2O)CN1Cc1ccccc1 ZINC000151319839 928242939 /nfs/dbraw/zinc/24/29/39/928242939.db2.gz JXZRLJREXJRXFW-YJBOKZPZSA-N 1 0 296.414 3.145 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+][C@H]2CCCOCC2)c1 ZINC001560708705 937236812 /nfs/dbraw/zinc/23/68/12/937236812.db2.gz QABYSRUKWGXOSZ-HNNXBMFYSA-N 1 0 263.381 3.174 20 10 CGCDRO C[C@H]([NH2+]C[Si](C)(C)c1ccccc1)c1ccccc1O ZINC001460638379 937537554 /nfs/dbraw/zinc/53/75/54/937537554.db2.gz NMLFMBSFWVTNEA-AWEZNQCLSA-N 1 0 285.463 3.198 20 10 CGCDRO Cc1ccc(C)c(C[N@H+](C)Cc2ccncc2)c1O ZINC001140178690 931957284 /nfs/dbraw/zinc/95/72/84/931957284.db2.gz UXPPREHAHJBKKV-UHFFFAOYSA-N 1 0 256.349 3.036 20 10 CGCDRO c1ccc(CC[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC001460999581 937558451 /nfs/dbraw/zinc/55/84/51/937558451.db2.gz HYIUBUUAJNPQIM-UHFFFAOYSA-N 1 0 267.372 3.344 20 10 CGCDRO Cc1ccccc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001461056039 937561663 /nfs/dbraw/zinc/56/16/63/937561663.db2.gz HTGYALMJGFVHKK-UHFFFAOYSA-N 1 0 295.430 3.359 20 10 CGCDRO CCOCc1cc(C[NH2+]CCCSC)ccc1OC ZINC001461214227 937569770 /nfs/dbraw/zinc/56/97/70/937569770.db2.gz BLLSVMSDSLZTIT-UHFFFAOYSA-N 1 0 283.437 3.074 20 10 CGCDRO CCCOc1ccc(C[NH2+]C[C@@H](CO)C(C)C)cc1C ZINC001461488153 937583152 /nfs/dbraw/zinc/58/31/52/937583152.db2.gz OPCPEZMGJFRRMZ-INIZCTEOSA-N 1 0 279.424 3.138 20 10 CGCDRO CC(C)[C@@H]([NH2+]Cc1c(O)cccc1Cl)[C@@H](CO)C(C)C ZINC001461518345 937584272 /nfs/dbraw/zinc/58/42/72/937584272.db2.gz BYLCVUJISBKFMV-XJKSGUPXSA-N 1 0 299.842 3.424 20 10 CGCDRO CCC(CC)[N@H+](CCOC)Cc1ccc(C)cc1O ZINC001461875620 937602529 /nfs/dbraw/zinc/60/25/29/937602529.db2.gz VHPCMAMTDVBAKZ-UHFFFAOYSA-N 1 0 265.397 3.338 20 10 CGCDRO C[N@H+](Cc1ccoc1)Cc1ccc(Br)cc1O ZINC001461939815 937607731 /nfs/dbraw/zinc/60/77/31/937607731.db2.gz MSOZTGJDECUZTD-UHFFFAOYSA-N 1 0 296.164 3.380 20 10 CGCDRO CNc1ccc(C)cc1C[N@H+](C)Cc1ccccc1O ZINC001461969930 937610169 /nfs/dbraw/zinc/61/01/69/937610169.db2.gz XSHOFRQOLLQTBN-UHFFFAOYSA-N 1 0 270.376 3.374 20 10 CGCDRO CC[C@H]1CC[N@H+](Cc2cc(C)cc(OC)c2O)[C@H]1C ZINC001462124080 937619489 /nfs/dbraw/zinc/61/94/89/937619489.db2.gz LNQFBXKMKOKXFU-STQMWFEESA-N 1 0 263.381 3.330 20 10 CGCDRO [O-]c1cc(F)c(F)cc1C[NH2+]CCCCC[NH+]1CCCC1 ZINC001462280075 937629847 /nfs/dbraw/zinc/62/98/47/937629847.db2.gz DYVZXBSOEIWNAO-UHFFFAOYSA-N 1 0 298.377 3.026 20 10 CGCDRO CCC1(C)C[NH+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC001462335955 937632910 /nfs/dbraw/zinc/63/29/10/937632910.db2.gz SYEKFTPKDHFLLJ-VOTSOKGWSA-N 1 0 258.409 3.498 20 10 CGCDRO C[C@H]([NH2+]Cc1c(Cl)ccnc1F)c1ccccc1O ZINC001462510806 937645964 /nfs/dbraw/zinc/64/59/64/937645964.db2.gz GIBQGEAJEXNDDF-VIFPVBQESA-N 1 0 280.730 3.431 20 10 CGCDRO COC[C@@H](C[NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(C)C ZINC001307695821 932987909 /nfs/dbraw/zinc/98/79/09/932987909.db2.gz QORYKIPEKASRJD-GOEBONIOSA-N 1 0 278.440 3.322 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CCC(C)(C)CO2)cc1F ZINC001308503609 933121923 /nfs/dbraw/zinc/12/19/23/933121923.db2.gz PGMHNQCXALRBMV-CQSZACIVSA-N 1 0 294.414 3.187 20 10 CGCDRO Oc1cc(Cl)ccc1C[N@@H+]1CCOCC2(CCC2)C1 ZINC001308676928 933156047 /nfs/dbraw/zinc/15/60/47/933156047.db2.gz GUWHTJJZWXRSJE-UHFFFAOYSA-N 1 0 281.783 3.048 20 10 CGCDRO CC[C@@H]1CC[N@H+](Cc2c(C)cc(OC)cc2O)[C@@H]1C ZINC001308706216 933163093 /nfs/dbraw/zinc/16/30/93/933163093.db2.gz TWHXWSUDECLVHF-CHWSQXEVSA-N 1 0 263.381 3.330 20 10 CGCDRO CC[N@@H+](Cc1cc(F)cc(F)c1[O-])CC1CCC1 ZINC001308713921 933163320 /nfs/dbraw/zinc/16/33/20/933163320.db2.gz DQKWWGLCLTXAKF-UHFFFAOYSA-N 1 0 255.308 3.292 20 10 CGCDRO CCC[C@@]1(COC)CCC[N@@H+]1Cc1ccc(C)cc1O ZINC001308722109 933164362 /nfs/dbraw/zinc/16/43/62/933164362.db2.gz WVHGHFDYMCTQKI-KRWDZBQOSA-N 1 0 277.408 3.482 20 10 CGCDRO CC(C)(C)CC[C@@H](CO)[NH2+]Cc1ccc(Cl)cc1O ZINC001308719671 933164482 /nfs/dbraw/zinc/16/44/82/933164482.db2.gz PSCDAMAFOXUHHG-ZDUSSCGKSA-N 1 0 285.815 3.322 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+]Cc2cnc3n2CCCC3)c1 ZINC001308757238 933171718 /nfs/dbraw/zinc/17/17/18/933171718.db2.gz SXENKKNGLCINAM-UHFFFAOYSA-N 1 0 299.418 3.338 20 10 CGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CC[C@@H](O)C23CCCC3)c1 ZINC001308792503 933178363 /nfs/dbraw/zinc/17/83/63/933178363.db2.gz PQBGIKGLFQXHGZ-QGZVFWFLSA-N 1 0 289.419 3.395 20 10 CGCDRO CC[C@@H](C)C[C@H](CO)[NH2+]Cc1cc(C(C)C)ccc1O ZINC001308834050 933186597 /nfs/dbraw/zinc/18/65/97/933186597.db2.gz MTYOPPJKSAMRKR-CZUORRHYSA-N 1 0 279.424 3.402 20 10 CGCDRO CC[C@@H]1C[N@H+](C/C=C\c2ccc(N(C)C)cc2)[C@@H](C)CO1 ZINC001308848298 933189240 /nfs/dbraw/zinc/18/92/40/933189240.db2.gz KZELVXRUAPKCRN-ZNUVNQELSA-N 1 0 288.435 3.265 20 10 CGCDRO CC[C@@H](COCC1CC1)[NH2+]Cc1ccc(Cl)cc1O ZINC001308857798 933191708 /nfs/dbraw/zinc/19/17/08/933191708.db2.gz RBILUWZQNWMCGI-AWEZNQCLSA-N 1 0 283.799 3.340 20 10 CGCDRO Oc1cc(Cl)ccc1C[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC001308910559 933201941 /nfs/dbraw/zinc/20/19/41/933201941.db2.gz SNUCOSWPVPCICP-RKDXNWHRSA-N 1 0 265.662 3.086 20 10 CGCDRO OCC[C@@H]([NH2+]Cc1ccc(Cl)cc1O)C1CCCC1 ZINC001308956816 933213199 /nfs/dbraw/zinc/21/31/99/933213199.db2.gz RYQKPBAKEKVHFJ-CQSZACIVSA-N 1 0 283.799 3.076 20 10 CGCDRO CCOC[C@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001319718551 933920988 /nfs/dbraw/zinc/92/09/88/933920988.db2.gz RQFKWFWZBMDYSO-KRWDZBQOSA-N 1 0 288.435 3.145 20 10 CGCDRO C[N@H+](CCCC(=O)c1ccccc1)Cc1ccccc1O ZINC001325191874 934893600 /nfs/dbraw/zinc/89/36/00/934893600.db2.gz UQDKRBHDEPUNPG-UHFFFAOYSA-N 1 0 283.371 3.487 20 10 CGCDRO C[C@@H](CC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1ccccc1O ZINC001325204596 934894660 /nfs/dbraw/zinc/89/46/60/934894660.db2.gz USWGFZHRYVMCSQ-RYUDHWBXSA-N 1 0 279.380 3.163 20 10 CGCDRO COCC1([NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3C)CC1 ZINC001325355829 934906516 /nfs/dbraw/zinc/90/65/16/934906516.db2.gz GDLRBFNAKOZTGX-RYUDHWBXSA-N 1 0 261.365 3.018 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCC[C@H](F)C2)c1O ZINC001326303925 934968954 /nfs/dbraw/zinc/96/89/54/934968954.db2.gz VMXUXRGDZIDZOE-NWDGAFQWSA-N 1 0 287.762 3.425 20 10 CGCDRO COc1cc(C[NH2+]C2(C)CC2)c(O)c(C(C)(C)C)c1 ZINC001328062594 935113472 /nfs/dbraw/zinc/11/34/72/935113472.db2.gz SMCQSIDSOBGKAD-UHFFFAOYSA-N 1 0 263.381 3.340 20 10 CGCDRO CC1(C)CO[C@@H](C[NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC001329797735 935246311 /nfs/dbraw/zinc/24/63/11/935246311.db2.gz DDPBJJHHLIIROS-QGZVFWFLSA-N 1 0 288.435 3.192 20 10 CGCDRO CC[N@H+](Cc1cc(Cl)c(C)cc1O)[C@H]1CCCOC1 ZINC001330279986 935282108 /nfs/dbraw/zinc/28/21/08/935282108.db2.gz OSCRLVFGONUVCE-ZDUSSCGKSA-N 1 0 283.799 3.355 20 10 CGCDRO Cc1cncc(CC[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3C)n1 ZINC001330325013 935285294 /nfs/dbraw/zinc/28/52/94/935285294.db2.gz ZZPJTWFFAIYQFP-WFASDCNBSA-N 1 0 297.402 3.180 20 10 CGCDRO Cc1ccc(CN2Cc3ccc([N+](=O)[O-])cc3C2)c(O)c1 ZINC001330593822 935300808 /nfs/dbraw/zinc/30/08/08/935300808.db2.gz YKSFUPQIZJNHNG-UHFFFAOYSA-N 1 0 284.315 3.125 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)c(O)c1 ZINC001331741635 935406478 /nfs/dbraw/zinc/40/64/78/935406478.db2.gz KWSRAPIMMOZPLX-UPJWGTAASA-N 1 0 267.319 3.224 20 10 CGCDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)[C@@H]1CCCC[C@H]1O ZINC001331961236 935427263 /nfs/dbraw/zinc/42/72/63/935427263.db2.gz WSGVAXHJPQPCDR-QZTJIDSGSA-N 1 0 288.435 3.022 20 10 CGCDRO CO[C@H]1CC[C@H](C)[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001334327506 936097213 /nfs/dbraw/zinc/09/72/13/936097213.db2.gz RTMJPCRLVCFAPA-YJBOKZPZSA-N 1 0 288.435 3.286 20 10 CGCDRO Cc1ccnc(OC2CC[NH+](Cc3ccc(N)cc3)CC2)c1 ZINC001334753326 936111861 /nfs/dbraw/zinc/11/18/61/936111861.db2.gz CKDKTDVXVUWTMW-UHFFFAOYSA-N 1 0 297.402 3.016 20 10 CGCDRO C[C@H]([NH2+]CCCc1cccnc1)c1ccc(N(C)C)cc1 ZINC001334792635 936114357 /nfs/dbraw/zinc/11/43/57/936114357.db2.gz AHDNRKNYDSAVPY-HNNXBMFYSA-N 1 0 283.419 3.431 20 10 CGCDRO OCC[N@H+](Cc1ccc(N2CCCC2)cc1)C1CCCC1 ZINC001336893271 936226438 /nfs/dbraw/zinc/22/64/38/936226438.db2.gz KJTSIVHVAGLKPM-UHFFFAOYSA-N 1 0 288.435 3.024 20 10 CGCDRO CC[C@@H](C[NH2+]Cc1c(C)c2ccccc2n1C)N1CCCC1 ZINC001473926707 937830420 /nfs/dbraw/zinc/83/04/20/937830420.db2.gz FAEFHWBUPNTNGV-INIZCTEOSA-N 1 0 299.462 3.451 20 10 CGCDRO CO[C@@H]1C[C@H]([NH2+]C/C=C/c2ccc(N(C)C)cc2)C1(C)C ZINC001474034964 937837171 /nfs/dbraw/zinc/83/71/71/937837171.db2.gz DQYCVZLRZLCDNL-YMPXZSTISA-N 1 0 288.435 3.169 20 10 CGCDRO C[C@H]([NH2+]Cc1c(O)cccc1Br)c1ccc[nH]1 ZINC001474100222 937840250 /nfs/dbraw/zinc/84/02/50/937840250.db2.gz VDOXEKFRLQCNRT-VIFPVBQESA-N 1 0 295.180 3.334 20 10 CGCDRO COCC[N@H+](C/C=C\c1ccc(N(C)C)cc1)CC(C)C ZINC001474322633 937850905 /nfs/dbraw/zinc/85/09/05/937850905.db2.gz LQJGNSCLDGGMPY-SREVYHEPSA-N 1 0 290.451 3.370 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCC[C@@H](c3ccncn3)C2)c1O ZINC001474379574 937856305 /nfs/dbraw/zinc/85/63/05/937856305.db2.gz XUYAKXGFHRJVJH-OAHLLOKOSA-N 1 0 297.402 3.124 20 10 CGCDRO Oc1cc(Cl)ccc1C[NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC001474694438 937875600 /nfs/dbraw/zinc/87/56/00/937875600.db2.gz DBURRCFHHGHYNT-RIEGTJTDSA-N 1 0 281.783 3.093 20 10 CGCDRO CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC001474759443 937879310 /nfs/dbraw/zinc/87/93/10/937879310.db2.gz MHWHHEOQDFSFLJ-GFCCVEGCSA-N 1 0 284.831 3.256 20 10 CGCDRO CCOc1ccc(N(CCCOC)CC2CC2)cc1 ZINC001560070163 938243136 /nfs/dbraw/zinc/24/31/36/938243136.db2.gz PPONTDWGODIHBR-UHFFFAOYSA-N 1 0 263.381 3.338 20 10 CGCDRO C[C@@H]([NH2+]CCN1C[C@H](C)C[C@H](C)C1)c1ccccc1O ZINC001560074856 938243259 /nfs/dbraw/zinc/24/32/59/938243259.db2.gz ITEMGFHTJRGIDZ-QLFBSQMISA-N 1 0 276.424 3.021 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCN2CCC(C)CC2)c(Cl)c1 ZINC001560266683 938250285 /nfs/dbraw/zinc/25/02/85/938250285.db2.gz MGBLVKIRSRMEQV-UHFFFAOYSA-N 1 0 296.842 3.176 20 10 CGCDRO CCCOc1ccc(C[NH2+]C[C@@H](C)N(C)C2CC2)cc1C ZINC001560322383 938252878 /nfs/dbraw/zinc/25/28/78/938252878.db2.gz CQPWUIXRRAFJCB-OAHLLOKOSA-N 1 0 290.451 3.356 20 10 CGCDRO C[C@@H](CN1CCC(C)CC1)[NH2+]Cc1c(O)cccc1Cl ZINC001560532008 938261926 /nfs/dbraw/zinc/26/19/26/938261926.db2.gz RPYLVTGHMUKRSJ-ZDUSSCGKSA-N 1 0 296.842 3.256 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC001560659171 938268487 /nfs/dbraw/zinc/26/84/87/938268487.db2.gz ZXURVOWCVXDSER-AWEZNQCLSA-N 1 0 276.424 3.060 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+]CCC(=O)OC(C)(C)C)c1 ZINC001560707771 938271556 /nfs/dbraw/zinc/27/15/56/938271556.db2.gz USNISTLCHAPMFG-UHFFFAOYSA-N 1 0 293.407 3.337 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+][C@H](c2cnn[nH]2)C(C)C)c1 ZINC001575455430 962372447 /nfs/dbraw/zinc/37/24/47/962372447.db2.gz XUGVOIHPAUSIKW-INIZCTEOSA-N 1 0 288.395 3.121 20 10 CGCDRO CCc1cccc(N(C)C(=O)c2cccc3c2CC[NH2+]C3)c1 ZINC001578266952 962581257 /nfs/dbraw/zinc/58/12/57/962581257.db2.gz VJBMZLVLMIEJIF-UHFFFAOYSA-N 1 0 294.398 3.171 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCc3nc(C(C)C)ncc3C2)c1 ZINC000143383812 346114193 /nfs/dbraw/zinc/11/41/93/346114193.db2.gz ZURSWCIISPSMOO-UHFFFAOYSA-N 1 0 297.402 3.172 20 10 CGCDRO C[N@@H+](Cc1c(O)ccc2ccccc21)C[C@@H]1CCOC1 ZINC000176102468 346249200 /nfs/dbraw/zinc/24/92/00/346249200.db2.gz PVVRSVOVVMRLSP-ZDUSSCGKSA-N 1 0 271.360 3.014 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000179951011 346254013 /nfs/dbraw/zinc/25/40/13/346254013.db2.gz BJKMARFJIVKNAU-LLVKDONJSA-N 1 0 289.297 3.175 20 10 CGCDRO C[C@H]([NH2+]C1CCC1)c1cc(Br)ccc1O ZINC000273474194 346412678 /nfs/dbraw/zinc/41/26/78/346412678.db2.gz KHDSSRBGXPRPCU-QMMMGPOBSA-N 1 0 270.170 3.358 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)c1ccc(N(C)CC)cc1)C(C)(C)O ZINC000295016624 346433668 /nfs/dbraw/zinc/43/36/68/346433668.db2.gz NEUYZAGIHLEDTO-BBRMVZONSA-N 1 0 278.440 3.343 20 10 CGCDRO CC[C@H]([NH2+]CCc1cscn1)c1ccccc1O ZINC000104433683 186000353 /nfs/dbraw/zinc/00/03/53/186000353.db2.gz PLQJLWPTWIZDLX-ZDUSSCGKSA-N 1 0 262.378 3.132 20 10 CGCDRO C[C@@H]([NH2+]CCOC1CCCCC1)c1ccccc1O ZINC000104439018 186002033 /nfs/dbraw/zinc/00/20/33/186002033.db2.gz SQCQXRYDBKOYSY-CYBMUJFWSA-N 1 0 263.381 3.392 20 10 CGCDRO CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])C1 ZINC000191215618 283351636 /nfs/dbraw/zinc/35/16/36/283351636.db2.gz DPOONBJXPYJGKL-RYUDHWBXSA-N 1 0 298.377 3.053 20 10 CGCDRO CCC[NH+]1CCC(N(C)Cc2c(O)cccc2Cl)CC1 ZINC000123828260 370915916 /nfs/dbraw/zinc/91/59/16/370915916.db2.gz LTDRBNIHRQYQCM-UHFFFAOYSA-N 1 0 296.842 3.352 20 10 CGCDRO CC(C)CC[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000020468555 368807137 /nfs/dbraw/zinc/80/71/37/368807137.db2.gz LGTFVTQEFGOMJV-CQSZACIVSA-N 1 0 294.414 3.359 20 10 CGCDRO c1cc(N2CCCC2)ccc1C[NH2+][C@H]1CCCSC1 ZINC000135703178 371445177 /nfs/dbraw/zinc/44/51/77/371445177.db2.gz FKDDGNGJTKKOOO-HNNXBMFYSA-N 1 0 276.449 3.272 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCCSC2)c1 ZINC000286926995 371573998 /nfs/dbraw/zinc/57/39/98/371573998.db2.gz FYPCIXXNHWGCDB-NEPJUHHUSA-N 1 0 281.421 3.195 20 10 CGCDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1c(O)cccc1Cl ZINC000289143781 371750693 /nfs/dbraw/zinc/75/06/93/371750693.db2.gz ANBLEUAOJYVEIG-DOMZBBRYSA-N 1 0 294.826 3.104 20 10 CGCDRO CC[C@H]([NH2+]C[C@H](O)c1ccsc1)c1ccccc1O ZINC000155950238 371954665 /nfs/dbraw/zinc/95/46/65/371954665.db2.gz VFFFBINNLUXIRE-ZFWWWQNUSA-N 1 0 277.389 3.228 20 10 CGCDRO Cc1ccc(C(=O)CC[N@@H+](C)Cc2ccccc2O)cc1 ZINC000160540157 372255815 /nfs/dbraw/zinc/25/58/15/372255815.db2.gz JBSFVKQSKHXMGX-UHFFFAOYSA-N 1 0 283.371 3.405 20 10 CGCDRO Cc1cc(C[NH2+][C@@H](CCO)c2ccccc2)ccc1N(C)C ZINC000293775901 372476596 /nfs/dbraw/zinc/47/65/96/372476596.db2.gz LHUZCWPIRCIPSE-SFHVURJKSA-N 1 0 298.430 3.274 20 10 CGCDRO C[C@@H](O)CC[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000293613587 372425575 /nfs/dbraw/zinc/42/55/75/372425575.db2.gz GSRTVKBOYDUUJV-QAPCUYQASA-N 1 0 299.414 3.427 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CC(C)(C)[C@H]2c2ccncc2)c1 ZINC000293968543 372539581 /nfs/dbraw/zinc/53/95/81/372539581.db2.gz QKJZEKNRDSKNDY-QGZVFWFLSA-N 1 0 298.386 3.379 20 10 CGCDRO C[C@@H](CCO)[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000293864320 372506235 /nfs/dbraw/zinc/50/62/35/372506235.db2.gz UQVJSKJZTVGULB-YJBOKZPZSA-N 1 0 299.414 3.427 20 10 CGCDRO CCC[C@@H](O)C[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000168772029 372619452 /nfs/dbraw/zinc/61/94/52/372619452.db2.gz NBGZXKNWTOSGAF-GXTWGEPZSA-N 1 0 273.376 3.357 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2CCc3nccn3C2)c(O)c1 ZINC000294436775 372654717 /nfs/dbraw/zinc/65/47/17/372654717.db2.gz VBIGSIBCWOODKL-LSDHHAIUSA-N 1 0 299.418 3.119 20 10 CGCDRO COCCC1(C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)CC1 ZINC000294566046 372660623 /nfs/dbraw/zinc/66/06/23/372660623.db2.gz BRAWZLSOKQPBRN-AWEZNQCLSA-N 1 0 277.408 3.476 20 10 CGCDRO CO[C@@H]1CC[N@H+](Cc2cc(C)c(C)cc2O)CC1(C)C ZINC000295045628 372688001 /nfs/dbraw/zinc/68/80/01/372688001.db2.gz PAHWBKIVTUHCDS-MRXNPFEDSA-N 1 0 277.408 3.256 20 10 CGCDRO COc1ccc(C[NH2+]CC(C)(C)c2ccccn2)cc1C ZINC000295112529 372693759 /nfs/dbraw/zinc/69/37/59/372693759.db2.gz LVYGIGCJWLMKCJ-UHFFFAOYSA-N 1 0 284.403 3.466 20 10 CGCDRO Cc1ncsc1CC[NH2+]Cc1cc(C)c(C)cc1O ZINC000295125023 372693968 /nfs/dbraw/zinc/69/39/68/372693968.db2.gz XTOFVMVPHFZWOA-UHFFFAOYSA-N 1 0 276.405 3.106 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]Cc1ccc(F)cc1)CC2 ZINC000295824058 372923691 /nfs/dbraw/zinc/92/36/91/372923691.db2.gz DNAHWBFTFBVGNF-CQSZACIVSA-N 1 0 257.308 3.308 20 10 CGCDRO CC[C@H]([NH2+]C[C@H](C)CCCO)c1ccc(C)cc1O ZINC000295839859 372929596 /nfs/dbraw/zinc/92/95/96/372929596.db2.gz AKFVLNPNOZTTPI-HIFRSBDPSA-N 1 0 265.397 3.150 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]CCc1cccc(F)c1)CC2 ZINC000295939003 372966284 /nfs/dbraw/zinc/96/62/84/372966284.db2.gz KTKWSDLUSLCZQF-OAHLLOKOSA-N 1 0 271.335 3.351 20 10 CGCDRO CCn1cc([C@@H](C)[NH2+][C@@H](C)c2cc(C)ccc2O)cn1 ZINC000295951439 372971127 /nfs/dbraw/zinc/97/11/27/372971127.db2.gz MGRQNNTWQGGTQZ-OLZOCXBDSA-N 1 0 273.380 3.329 20 10 CGCDRO COC1CCN(c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000296191675 373048838 /nfs/dbraw/zinc/04/88/38/373048838.db2.gz BOJNMYDJQMNSQO-UHFFFAOYSA-N 1 0 288.435 3.288 20 10 CGCDRO C[C@@H](CCCO)C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000296376462 373111994 /nfs/dbraw/zinc/11/19/94/373111994.db2.gz JKVYUGNAHVIMRA-KBPBESRZSA-N 1 0 291.435 3.330 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2nnc(C(C)C)[nH]2)c(O)c1 ZINC000296495809 373154860 /nfs/dbraw/zinc/15/48/60/373154860.db2.gz OVHMVYCTIOFQNJ-GFCCVEGCSA-N 1 0 288.395 3.101 20 10 CGCDRO COC[C@@H]([NH2+][C@H]1CCc2cccc(O)c21)c1ccccc1 ZINC000296685986 373220972 /nfs/dbraw/zinc/22/09/72/373220972.db2.gz GVHCSFQDWPGCAY-JKSUJKDBSA-N 1 0 283.371 3.357 20 10 CGCDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H]2CCc3cccc(O)c32)c1 ZINC000296633933 373201893 /nfs/dbraw/zinc/20/18/93/373201893.db2.gz CKXKNSBOUQHUQX-HNNXBMFYSA-N 1 0 298.342 3.120 20 10 CGCDRO COC(C)(C)C[C@@H](C)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297890355 373283803 /nfs/dbraw/zinc/28/38/03/373283803.db2.gz VMSAJLOAVKFFQK-YPMHNXCESA-N 1 0 263.381 3.173 20 10 CGCDRO COc1cccc(C[N@@H+]2CCC[C@H]2c2cccn2C)c1O ZINC000179708007 373908066 /nfs/dbraw/zinc/90/80/66/373908066.db2.gz UAQZASQAEFDEMX-HNNXBMFYSA-N 1 0 286.375 3.076 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCCC[C@H]2c2ncc[nH]2)c1O ZINC000179937676 373942116 /nfs/dbraw/zinc/94/21/16/373942116.db2.gz LDJCATUAFRKEBK-AWEZNQCLSA-N 1 0 271.364 3.151 20 10 CGCDRO CSCC[C@H](C)[N@H+](C)Cc1cccc(C)c1O ZINC000180349690 373993071 /nfs/dbraw/zinc/99/30/71/373993071.db2.gz RGUKJXAMDKRNIF-LBPRGKRZSA-N 1 0 253.411 3.274 20 10 CGCDRO CCOCCC1(C[NH2+][C@@H](C)c2ccccc2O)CC1 ZINC000183626132 374436671 /nfs/dbraw/zinc/43/66/71/374436671.db2.gz QFNULXDULAIGIU-ZDUSSCGKSA-N 1 0 263.381 3.250 20 10 CGCDRO COCc1ccc(C[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC000183400408 374410460 /nfs/dbraw/zinc/41/04/60/374410460.db2.gz NLVSGIUIFPGLNW-ZDUSSCGKSA-N 1 0 271.360 3.389 20 10 CGCDRO COc1cc(F)cc(C[NH2+][C@H](C)c2ccccc2O)c1 ZINC000183635455 374435835 /nfs/dbraw/zinc/43/58/35/374435835.db2.gz HBDAFIGNAMOLPD-LLVKDONJSA-N 1 0 275.323 3.391 20 10 CGCDRO C[C@H](CN1CCC[C@@H](C)C1)[NH2+][C@@H](C)c1ccccc1O ZINC000183443563 374413767 /nfs/dbraw/zinc/41/37/67/374413767.db2.gz BYRURRFYYGUYQJ-KFWWJZLASA-N 1 0 276.424 3.163 20 10 CGCDRO CCCC[C@H](COC)[NH2+][C@H](C)c1ccccc1O ZINC000183520911 374422842 /nfs/dbraw/zinc/42/28/42/374422842.db2.gz DRBVWIWGACHQMV-CHWSQXEVSA-N 1 0 251.370 3.248 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21)c1ccccc1O ZINC000183563497 374429169 /nfs/dbraw/zinc/42/91/69/374429169.db2.gz AJDGLFQDKHDILT-XKVFNRALSA-N 1 0 261.365 3.000 20 10 CGCDRO CC[C@@](C)(O)C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000185389619 374654313 /nfs/dbraw/zinc/65/43/13/374654313.db2.gz PNGYWYZTYCWGPI-YVEFUNNKSA-N 1 0 277.408 3.083 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)CC(C)(C)OC)c1 ZINC000185564487 374688428 /nfs/dbraw/zinc/68/84/28/374688428.db2.gz BEKWNJBBSWLRKY-NWDGAFQWSA-N 1 0 281.396 3.255 20 10 CGCDRO COc1ccc(F)cc1C[NH2+]Cc1cc(C)ccc1O ZINC000189201906 375340344 /nfs/dbraw/zinc/34/03/44/375340344.db2.gz NGGBHLNTNKTVHO-UHFFFAOYSA-N 1 0 275.323 3.138 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1CC[C@H](O)C1)c1ccc2ccccc2c1O ZINC000189340073 375370467 /nfs/dbraw/zinc/37/04/67/375370467.db2.gz MDZAWIXUVZVVNW-NFAWXSAZSA-N 1 0 285.387 3.357 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]CC[C@@](C)(O)c2ccccc2)c1 ZINC000189830346 375450835 /nfs/dbraw/zinc/45/08/35/375450835.db2.gz ZRJHFKGVTFRFDE-GOSISDBHSA-N 1 0 285.387 3.088 20 10 CGCDRO C[C@](O)(CC[NH2+]Cc1ccc2c(c1)CCO2)c1ccccc1 ZINC000189850458 375453062 /nfs/dbraw/zinc/45/30/62/375453062.db2.gz CWEGRDWXNKBUBC-IBGZPJMESA-N 1 0 297.398 3.009 20 10 CGCDRO Fc1cccc2c1OCC[C@@H]2[NH2+]Cc1ccc2c(c1)CCO2 ZINC000191128831 375582084 /nfs/dbraw/zinc/58/20/84/375582084.db2.gz RLTSGNKOPJRUIK-INIZCTEOSA-N 1 0 299.345 3.374 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)Cn1ccnc1)c1ccc(N(C)C)cc1 ZINC000268788886 378111041 /nfs/dbraw/zinc/11/10/41/378111041.db2.gz CHLQYISJPWZTQO-PBHICJAKSA-N 1 0 286.423 3.079 20 10 CGCDRO COc1cccc(C[N@H+](C)Cc2cccc(OC)c2O)c1 ZINC000270981557 378421790 /nfs/dbraw/zinc/42/17/90/378421790.db2.gz DJMFQZJFCQWAFF-UHFFFAOYSA-N 1 0 287.359 3.041 20 10 CGCDRO CCc1noc(C)c1C[NH2+][C@H](CC)c1ccccc1O ZINC000271725265 378503143 /nfs/dbraw/zinc/50/31/43/378503143.db2.gz RCCQSPXWJSZKJC-CQSZACIVSA-N 1 0 274.364 3.492 20 10 CGCDRO COc1cccc(C2([NH2+]Cc3cccc(C)c3O)CC2)c1 ZINC000271840784 378509459 /nfs/dbraw/zinc/50/94/59/378509459.db2.gz QSIRHBUWYBQQOG-UHFFFAOYSA-N 1 0 283.371 3.488 20 10 CGCDRO CCN1CCC([NH2+][C@@H](C)c2ccc(C)c(C)c2O)CC1 ZINC000273300342 378740915 /nfs/dbraw/zinc/74/09/15/378740915.db2.gz BFJOFNHKWNQXTP-AWEZNQCLSA-N 1 0 276.424 3.144 20 10 CGCDRO Cc1nccn1CC[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000273368953 378742430 /nfs/dbraw/zinc/74/24/30/378742430.db2.gz CDGVBTVSFNLEIM-ZDUSSCGKSA-N 1 0 295.386 3.401 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cn3ccsc3n2)c1 ZINC000273401732 378744164 /nfs/dbraw/zinc/74/41/64/378744164.db2.gz NFWXXIBXFOCKNO-LLVKDONJSA-N 1 0 287.388 3.261 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cn[nH]c2)c(O)c1C ZINC000273508642 378749569 /nfs/dbraw/zinc/74/95/69/378749569.db2.gz RHTZOULEXBSDBF-RYUDHWBXSA-N 1 0 259.353 3.144 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCCc2nccs2)c1 ZINC000273508811 378750356 /nfs/dbraw/zinc/75/03/56/378750356.db2.gz RKUQTLKCPUMDCD-GFCCVEGCSA-N 1 0 276.405 3.441 20 10 CGCDRO C[C@@H]([NH2+][C@H](CO)c1ccc(F)cc1)c1cc(F)ccc1O ZINC000273494624 378750824 /nfs/dbraw/zinc/75/08/24/378750824.db2.gz OWBNMRINDLPSOI-MEBBXXQBSA-N 1 0 293.313 3.055 20 10 CGCDRO COc1cccc(C[N@@H+]2Cc3ccccc3OC[C@H]2C)c1O ZINC000272812900 378708086 /nfs/dbraw/zinc/70/80/86/378708086.db2.gz AZZKHOCMRJTOOR-CYBMUJFWSA-N 1 0 299.370 3.184 20 10 CGCDRO C[C@H]([NH2+]C[C@@H](c1ccsc1)N(C)C)c1ccccc1O ZINC000272813494 378708413 /nfs/dbraw/zinc/70/84/13/378708413.db2.gz DPPGHSIIHSDYND-WFASDCNBSA-N 1 0 290.432 3.407 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]C23CCC(CC2)C3)c1 ZINC000371752753 379173990 /nfs/dbraw/zinc/17/39/90/379173990.db2.gz KBVRWSMDWSEERR-UHFFFAOYSA-N 1 0 261.365 3.213 20 10 CGCDRO COc1cc(Cl)cc(C[N@H+]2CCC[C@H](OC)CC2)c1O ZINC000372952885 379205252 /nfs/dbraw/zinc/20/52/52/379205252.db2.gz YEMWKODWKBTOKG-ZDUSSCGKSA-N 1 0 299.798 3.055 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C[C@@]2(C)CCO[C@@H]2C2CC2)cc1 ZINC000373353845 379265631 /nfs/dbraw/zinc/26/56/31/379265631.db2.gz LLWGGIJIVYGVTJ-QZTJIDSGSA-N 1 0 288.435 3.047 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCC[C@@H]2c2nccs2)c1O ZINC000375017634 379484990 /nfs/dbraw/zinc/48/49/90/379484990.db2.gz HONRPWUGPUOXIB-CYBMUJFWSA-N 1 0 274.389 3.494 20 10 CGCDRO CC[C@@H]([NH2+]CCN1CC=CCC1)c1ccc(C)cc1O ZINC000281265302 379825590 /nfs/dbraw/zinc/82/55/90/379825590.db2.gz WSOQLUPNOXOCJZ-MRXNPFEDSA-N 1 0 274.408 3.003 20 10 CGCDRO c1cc(C[NH2+][C@H]2CCCC23CCOCC3)cc2c1OCC2 ZINC000282654864 379963241 /nfs/dbraw/zinc/96/32/41/379963241.db2.gz LKDUPWFNZBWHDB-KRWDZBQOSA-N 1 0 287.403 3.060 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CSC1(C)C)c1cc(F)ccc1O ZINC000283142444 380038351 /nfs/dbraw/zinc/03/83/51/380038351.db2.gz HIKCGZJCSSZMED-QPUJVOFHSA-N 1 0 255.358 3.076 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CSC1(C)C)c1cc(F)ccc1O ZINC000283142439 380039044 /nfs/dbraw/zinc/03/90/44/380039044.db2.gz HIKCGZJCSSZMED-PRHODGIISA-N 1 0 255.358 3.076 20 10 CGCDRO Oc1cccc(Cl)c1C[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000285331894 380147590 /nfs/dbraw/zinc/14/75/90/380147590.db2.gz XNKOQCLWPNQCFX-ZFWWWQNUSA-N 1 0 281.783 3.189 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCC[C@@H]2CCO)c(O)c1 ZINC000285407059 380147864 /nfs/dbraw/zinc/14/78/64/380147864.db2.gz XMAJSVIITJFQEA-RRFJBIMHSA-N 1 0 277.408 3.211 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]CC2CCOCC2)c(O)c1 ZINC000284168952 380132823 /nfs/dbraw/zinc/13/28/23/380132823.db2.gz QHBRBAWZDUVACR-ZDUSSCGKSA-N 1 0 263.381 3.086 20 10 CGCDRO Cc1cc(Cl)cc(CN2CCC[N@@H+]3CCC[C@H]3C2)c1O ZINC000362239889 381915351 /nfs/dbraw/zinc/91/53/51/381915351.db2.gz SXIJGBWBESYQQQ-HNNXBMFYSA-N 1 0 294.826 3.024 20 10 CGCDRO CC(C)C[C@H](CO)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000185114013 262041829 /nfs/dbraw/zinc/04/18/29/262041829.db2.gz VXEZPAQMUJZVEV-CMPLNLGQSA-N 1 0 271.788 3.103 20 10 CGCDRO Oc1ccc(C2CC[NH+](Cc3ccccc3O)CC2)cc1 ZINC000271259472 285384194 /nfs/dbraw/zinc/38/41/94/285384194.db2.gz JDZLGIXBHHRUBY-UHFFFAOYSA-N 1 0 283.371 3.477 20 10 CGCDRO CCOC[C@@H]1CCC[N@H+](Cc2cc(OCC)ccc2O)C1 ZINC000093419439 392237419 /nfs/dbraw/zinc/23/74/19/392237419.db2.gz MRDPSPJWNOFWQW-CQSZACIVSA-N 1 0 293.407 3.039 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H]2CSC)c1 ZINC000093761471 392239584 /nfs/dbraw/zinc/23/95/84/392239584.db2.gz SPNJVICZSLHECW-ZDUSSCGKSA-N 1 0 281.421 3.118 20 10 CGCDRO COc1cc(C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)ccn1 ZINC000284186818 392310628 /nfs/dbraw/zinc/31/06/28/392310628.db2.gz RHHHGWLXUSPKAR-ZDUSSCGKSA-N 1 0 286.375 3.263 20 10 CGCDRO C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000105447716 392289147 /nfs/dbraw/zinc/28/91/47/392289147.db2.gz KPQYZVUPDAPYAV-CQSZACIVSA-N 1 0 284.403 3.179 20 10 CGCDRO CCOc1cccc(C[NH2+]Cc2cc(F)ccc2F)c1O ZINC000105496193 392290843 /nfs/dbraw/zinc/29/08/43/392290843.db2.gz DMPZXYRVAYPHKU-UHFFFAOYSA-N 1 0 293.313 3.359 20 10 CGCDRO CC[C@@H]([NH2+]CCc1cn2ccccc2n1)c1ccccc1O ZINC000131016364 392455858 /nfs/dbraw/zinc/45/58/58/392455858.db2.gz JJWYHURYUMICGN-MRXNPFEDSA-N 1 0 295.386 3.323 20 10 CGCDRO CCOc1ccc(O)c(C[NH+]2Cc3ccccc3C2)c1 ZINC000119970395 392398976 /nfs/dbraw/zinc/39/89/76/392398976.db2.gz HYUIXQSJBQGUAI-UHFFFAOYSA-N 1 0 269.344 3.307 20 10 CGCDRO CCN(CC)c1ccc(C[NH+]2CCC3(CCO3)CC2)cc1 ZINC000367093883 392472135 /nfs/dbraw/zinc/47/21/35/392472135.db2.gz VSSLEGCIVZNLCW-UHFFFAOYSA-N 1 0 288.435 3.288 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCc2cccc(O)c21)c1c(F)cncc1F ZINC000297350065 392568378 /nfs/dbraw/zinc/56/83/78/392568378.db2.gz PAISRGGRKTTYBY-ZANVPECISA-N 1 0 290.313 3.404 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cccc(O)c1 ZINC000020146088 171031655 /nfs/dbraw/zinc/03/16/55/171031655.db2.gz ZYQGQHITRZWTFO-ZDUSSCGKSA-N 1 0 270.376 3.309 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCCOCC(C)C)c(O)c1 ZINC000020147373 171033735 /nfs/dbraw/zinc/03/37/35/171033735.db2.gz CPRCSZDQOHZIJQ-AWEZNQCLSA-N 1 0 265.397 3.414 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)c2ccccc2)c1 ZINC000035629065 172309116 /nfs/dbraw/zinc/30/91/16/172309116.db2.gz RPCRUNDGVBZWTC-DYVFJYSZSA-N 1 0 271.360 3.085 20 10 CGCDRO CC[C@@H]([NH2+][C@H](C)c1cnn(C)c1C)c1ccccc1O ZINC000037167534 260072949 /nfs/dbraw/zinc/07/29/49/260072949.db2.gz RZRCPGXACJMRCY-IAQYHMDHSA-N 1 0 273.380 3.236 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC2(C1)CCOCC2 ZINC000378331645 227055482 /nfs/dbraw/zinc/05/54/82/227055482.db2.gz GDONLUICGIRZBX-UHFFFAOYSA-N 1 0 281.783 3.048 20 10 CGCDRO Cc1c([C@H](C)[NH2+][C@H](C)c2ccc(C)cc2O)cnn1C ZINC000037167343 260072336 /nfs/dbraw/zinc/07/23/36/260072336.db2.gz DQEBJKGYLFBPBV-NEPJUHHUSA-N 1 0 273.380 3.154 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc2c(c1)OCO2 ZINC000074336340 260165245 /nfs/dbraw/zinc/16/52/45/260165245.db2.gz NNNLJOARKKOYOO-ZDUSSCGKSA-N 1 0 298.386 3.332 20 10 CGCDRO CC[C@@H](COC)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000079732935 260176734 /nfs/dbraw/zinc/17/67/34/260176734.db2.gz HMFAVRUVYKUVNR-INIZCTEOSA-N 1 0 276.424 3.192 20 10 CGCDRO CC[C@H](CCO)C[NH2+][C@@H](C)c1ccc(N(C)CC)cc1 ZINC000166764415 261393006 /nfs/dbraw/zinc/39/30/06/261393006.db2.gz XENCHDYQXRNSTK-LSDHHAIUSA-N 1 0 278.440 3.202 20 10 CGCDRO CC[C@@H](C[NH2+][C@@H](C)c1cc(F)ccc1O)N1CCCC1 ZINC000184991162 262036452 /nfs/dbraw/zinc/03/64/52/262036452.db2.gz OQRGBONKVAEHRI-JSGCOSHPSA-N 1 0 280.387 3.056 20 10 CGCDRO COCC[C@@H](C)[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000185290641 262049015 /nfs/dbraw/zinc/04/90/15/262049015.db2.gz DZCINCGWXJMNQY-CHWSQXEVSA-N 1 0 277.408 3.347 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@](C)(O)c2ccccc2)c1 ZINC000185453938 262055018 /nfs/dbraw/zinc/05/50/18/262055018.db2.gz IWSQXPQSUHYEHP-KDOFPFPSSA-N 1 0 285.387 3.259 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@](C)(O)c2cccs2)c1 ZINC000185518561 262057597 /nfs/dbraw/zinc/05/75/97/262057597.db2.gz VREFKYCOQLJKGR-WBMJQRKESA-N 1 0 291.416 3.320 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@](C)(O)c2ccsc2)c1 ZINC000185528799 262058610 /nfs/dbraw/zinc/05/86/10/262058610.db2.gz WTCISFBWRBDPLR-WBMJQRKESA-N 1 0 291.416 3.320 20 10 CGCDRO Cc1cc(C[C@H](C)[NH2+][C@@H](C)c2cc(Cl)ccc2O)[nH]n1 ZINC000186130639 262081237 /nfs/dbraw/zinc/08/12/37/262081237.db2.gz GTNRFFPTHMLBRC-ONGXEEELSA-N 1 0 293.798 3.359 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(O)c1)c1ccccc1O ZINC000186161329 262082809 /nfs/dbraw/zinc/08/28/09/262082809.db2.gz UJDTYERWRAWMGR-CQSZACIVSA-N 1 0 287.359 3.347 20 10 CGCDRO C/C=C/C[C@H](CO)[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000186503387 262095492 /nfs/dbraw/zinc/09/54/92/262095492.db2.gz WJSOBSMVQJIYOP-UOYPKJBKSA-N 1 0 289.419 3.249 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC2(OC)CCCCC2)c1 ZINC000186513993 262096199 /nfs/dbraw/zinc/09/61/99/262096199.db2.gz GJHUYTWYVOETOK-CYBMUJFWSA-N 1 0 293.407 3.401 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](O)CC(C)(C)C)c1ccccc1O ZINC000186197987 262311320 /nfs/dbraw/zinc/31/13/20/262311320.db2.gz QNEHHVVZUDCEIV-JSGCOSHPSA-N 1 0 265.397 3.230 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)C[C@H](C)O)c(O)c1 ZINC000186075570 262311464 /nfs/dbraw/zinc/31/14/64/262311464.db2.gz WAZYQPSXIDJIJM-QWHCGFSZSA-N 1 0 265.397 3.148 20 10 CGCDRO C[C@H]([NH2+]CC[C@H]1CCCCO1)c1cc(F)ccc1O ZINC000186516134 262316129 /nfs/dbraw/zinc/31/61/29/262316129.db2.gz JSWYROUATFGDMQ-WCQYABFASA-N 1 0 267.344 3.141 20 10 CGCDRO CC(C)O[C@H]1C[C@@H]([NH2+]Cc2ccccc2O)C1(C)C ZINC000274286321 263022722 /nfs/dbraw/zinc/02/27/22/263022722.db2.gz LEZTVHSOPDTTEG-CABCVRRESA-N 1 0 263.381 3.074 20 10 CGCDRO CCSCCC[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000282483455 263077004 /nfs/dbraw/zinc/07/70/04/263077004.db2.gz MNNSCOQFZJIQDZ-UHFFFAOYSA-N 1 0 289.828 3.287 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)[C@@H]1CCOC1 ZINC000135213068 264559219 /nfs/dbraw/zinc/55/92/19/264559219.db2.gz CPZHQPVXFXKJAM-NVXWUHKLSA-N 1 0 288.435 3.192 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CN(C)Cc3ccccc32)cc1C ZINC000371317834 267388685 /nfs/dbraw/zinc/38/86/85/267388685.db2.gz FBFRIBXNUYFDNB-GOSISDBHSA-N 1 0 296.414 3.285 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](Cc3ccncc3)C2)cc1 ZINC000377245838 268060464 /nfs/dbraw/zinc/06/04/64/268060464.db2.gz OYRMQUDHPRVVPA-GOSISDBHSA-N 1 0 295.430 3.212 20 10 CGCDRO C[C@@H](c1ccccn1)[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000272753563 274278670 /nfs/dbraw/zinc/27/86/70/274278670.db2.gz KBPCKDYFVPNPPX-ZDUSSCGKSA-N 1 0 287.382 3.480 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2nccnc2C)cc1 ZINC000187795533 276121082 /nfs/dbraw/zinc/12/10/82/276121082.db2.gz ZYAHRLXKEXAUDA-HNNXBMFYSA-N 1 0 298.434 3.482 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CCS[C@@H](C)CC2)c1O ZINC000190696241 276379972 /nfs/dbraw/zinc/37/99/72/276379972.db2.gz KMCCMCLAVGGOBU-LBPRGKRZSA-N 1 0 281.421 3.118 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCCc3occc32)c1 ZINC000020205147 277917339 /nfs/dbraw/zinc/91/73/39/277917339.db2.gz PSXCLAILEMVWDQ-CQSZACIVSA-N 1 0 273.332 3.161 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCCc2nn(C)cc21)c1ccc(N(C)C)cc1 ZINC000280286117 278372144 /nfs/dbraw/zinc/37/21/44/278372144.db2.gz YXZRBQKQVUEZQI-CXAGYDPISA-N 1 0 298.434 3.214 20 10 CGCDRO COc1cccc(C[NH2+]CC[C@@H]2CC=CCC2)c1O ZINC000527792246 288196077 /nfs/dbraw/zinc/19/60/77/288196077.db2.gz ZYZYGULOYGIWLH-CYBMUJFWSA-N 1 0 261.365 3.237 20 10 CGCDRO C[C@H]([NH2+]CC1CCSCC1)c1ccccc1O ZINC000167448767 327737320 /nfs/dbraw/zinc/73/73/20/327737320.db2.gz OJOLGCBYPYRVMK-NSHDSACASA-N 1 0 251.395 3.186 20 10 CGCDRO CC(C)C[C@@H](CCO)C[NH2+][C@H](C)c1ccccc1O ZINC000183539132 327820520 /nfs/dbraw/zinc/82/05/20/327820520.db2.gz VFKLEQLDLKUPFS-ZIAGYGMSSA-N 1 0 265.397 3.088 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCCC[C@H]1O)c1ccc(N(C)C)cc1 ZINC000186793241 327854762 /nfs/dbraw/zinc/85/47/62/327854762.db2.gz FKVIPMFXOJRUIO-GVDBMIGSSA-N 1 0 276.424 3.097 20 10 CGCDRO COCC[C@@H]([NH2+]Cc1ccccc1O)c1ccc(C)o1 ZINC000272286872 328199695 /nfs/dbraw/zinc/19/96/95/328199695.db2.gz MAURKEDAALZHAH-CQSZACIVSA-N 1 0 275.348 3.161 20 10 CGCDRO C[C@@H](COCC(F)(F)F)[NH2+][C@@H](C)c1ccccc1O ZINC000272854984 328200814 /nfs/dbraw/zinc/20/08/14/328200814.db2.gz LRNXAMZAVFNPLW-UWVGGRQHSA-N 1 0 277.286 3.010 20 10 CGCDRO C[C@@H](O)CCC[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000278958671 328232244 /nfs/dbraw/zinc/23/22/44/328232244.db2.gz BEKFHRFUHKIRBU-CHWSQXEVSA-N 1 0 277.408 3.083 20 10 CGCDRO CC[C@@H](C[NH2+][C@H](C)c1cc(Cl)ccc1O)OC ZINC000290049178 328257761 /nfs/dbraw/zinc/25/77/61/328257761.db2.gz DYVFPRINMWVZSY-KOLCDFICSA-N 1 0 257.761 3.121 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCC(F)(F)[C@H](C)C2)c1O ZINC000291536835 328264656 /nfs/dbraw/zinc/26/46/56/328264656.db2.gz KXIQVJBJKBXBNU-LLVKDONJSA-N 1 0 255.308 3.178 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CCCO[C@@H](C(C)C)C2)c1O ZINC000293868097 327171800 /nfs/dbraw/zinc/17/18/00/327171800.db2.gz CJONZXLMTFPCLS-MRXNPFEDSA-N 1 0 293.407 3.038 20 10 CGCDRO CC/C=C/C[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000295034408 327598854 /nfs/dbraw/zinc/59/88/54/327598854.db2.gz ODVYNWRZULDICE-SNAWJCMRSA-N 1 0 255.745 3.110 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)c1 ZINC000186451796 329342820 /nfs/dbraw/zinc/34/28/20/329342820.db2.gz DMFMJDVTTFATPR-LJQANCHMSA-N 1 0 295.382 3.332 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]C[C@@H]1CCN1C1CCCC1 ZINC000527805258 330284358 /nfs/dbraw/zinc/28/43/58/330284358.db2.gz FYYJSLFHXLWEQF-HNNXBMFYSA-N 1 0 294.826 3.152 20 10 CGCDRO CCOc1ccc(C[NH2+][C@@H](C)c2ncccc2F)c(O)c1 ZINC000527826856 330286669 /nfs/dbraw/zinc/28/66/69/330286669.db2.gz UUJTZFXTIUEVDK-NSHDSACASA-N 1 0 290.338 3.176 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@H]2CCC[C@H](SC)C2)c1 ZINC000224820038 333226395 /nfs/dbraw/zinc/22/63/95/333226395.db2.gz MNYUGKCBTFTOQJ-JSGCOSHPSA-N 1 0 281.421 3.165 20 10 CGCDRO C[C@H]1COCC[C@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000277739128 334816837 /nfs/dbraw/zinc/81/68/37/334816837.db2.gz KAWLXFZIABQTPT-MAUKXSAKSA-N 1 0 288.435 3.192 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCOC2)cc1 ZINC000268921897 520290601 /nfs/dbraw/zinc/29/06/01/520290601.db2.gz VBAVBFNCTJQIAF-DZKIICNBSA-N 1 0 276.424 3.218 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]Cc2cnccc2OC)cc1 ZINC000292679366 520907753 /nfs/dbraw/zinc/90/77/53/520907753.db2.gz MRSIAZRZPJKVBH-UHFFFAOYSA-N 1 0 299.418 3.226 20 10 CGCDRO CCC(O)(CC)CC[NH2+][C@H](C)c1ccc(C)cc1O ZINC000276207887 521652759 /nfs/dbraw/zinc/65/27/59/521652759.db2.gz ANEIFDOEYFAOFD-CYBMUJFWSA-N 1 0 265.397 3.292 20 10 CGCDRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000049092553 521936168 /nfs/dbraw/zinc/93/61/68/521936168.db2.gz QZNOMGORZTWBEH-GJZGRUSLSA-N 1 0 276.424 3.047 20 10 CGCDRO CN(C)[C@H]1CCC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000096810795 522096738 /nfs/dbraw/zinc/09/67/38/522096738.db2.gz KYJYUOMNWKOZSH-HNNXBMFYSA-N 1 0 284.403 3.071 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)cc1 ZINC000127392475 522177302 /nfs/dbraw/zinc/17/73/02/522177302.db2.gz VNOCNQPXFGJJTN-QGZVFWFLSA-N 1 0 269.392 3.418 20 10 CGCDRO CCc1nc(C)c(C[NH2+][C@@H](C)c2ccc(C)cc2O)o1 ZINC000291971976 522205486 /nfs/dbraw/zinc/20/54/86/522205486.db2.gz UBLRCAVXPUHMSO-NSHDSACASA-N 1 0 274.364 3.410 20 10 CGCDRO CCc1nnc([C@@H](C)[NH2+][C@H](CC)c2ccc(C)cc2O)[nH]1 ZINC000280177844 522426421 /nfs/dbraw/zinc/42/64/21/522426421.db2.gz RMSVHMVCWYWTRO-DGCLKSJQSA-N 1 0 288.395 3.183 20 10 CGCDRO CC[C@@H](C)c1nnc([C@H](C)[NH2+]Cc2cccc(C)c2O)[nH]1 ZINC000277110098 522442200 /nfs/dbraw/zinc/44/22/00/522442200.db2.gz HWASDFZILDKPEZ-PWSUYJOCSA-N 1 0 288.395 3.183 20 10 CGCDRO CC[C@@H](CCO)C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000094949721 522508703 /nfs/dbraw/zinc/50/87/03/522508703.db2.gz UKYSJMOCLKZWPP-INIZCTEOSA-N 1 0 290.451 3.175 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H]1CCOC[C@H]1C)c1ccc(N(C)C)cc1 ZINC000286934785 522615338 /nfs/dbraw/zinc/61/53/38/522615338.db2.gz AWUWNGDWCROHCF-HFTRVMKXSA-N 1 0 290.451 3.466 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1ccccc1O ZINC000363699234 522715152 /nfs/dbraw/zinc/71/51/52/522715152.db2.gz VYOGBZRGTKTPMN-UONOGXRCSA-N 1 0 271.364 3.234 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCO[C@@H](C)C1)c1ccc(C)cc1O ZINC000280095575 522719447 /nfs/dbraw/zinc/71/94/47/522719447.db2.gz MTNZBGDHINZPDK-GUTXKFCHSA-N 1 0 263.381 3.309 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)c1cnn(C)c1)c1ccc(C)cc1O ZINC000279935370 522741082 /nfs/dbraw/zinc/74/10/82/522741082.db2.gz AXZAYOXFPWZAKY-DOMZBBRYSA-N 1 0 273.380 3.236 20 10 CGCDRO COc1cc(O)c(C[NH2+]C2CCC3(CC3)CC2)cc1OC ZINC000278388298 522776200 /nfs/dbraw/zinc/77/62/00/522776200.db2.gz MONODOBQHIHOCI-UHFFFAOYSA-N 1 0 291.391 3.222 20 10 CGCDRO CC[C@@H]([NH2+]CCCc1c[nH]nc1C)c1ccccc1O ZINC000050182422 522830587 /nfs/dbraw/zinc/83/05/87/522830587.db2.gz OMUVWGVLMDGERB-OAHLLOKOSA-N 1 0 273.380 3.097 20 10 CGCDRO CC[C@@H]([NH2+]CCN(C)C1CCCC1)c1ccccc1O ZINC000071376649 522833327 /nfs/dbraw/zinc/83/33/27/522833327.db2.gz LCJMWPAZCKETQC-MRXNPFEDSA-N 1 0 276.424 3.307 20 10 CGCDRO CCc1noc(C)c1C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000292918161 522846070 /nfs/dbraw/zinc/84/60/70/522846070.db2.gz HXZAKYFMUDFVJP-UHFFFAOYSA-N 1 0 291.370 3.040 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](C)Cn1cccn1)c1ccc(C)cc1O ZINC000279921022 522911252 /nfs/dbraw/zinc/91/12/52/522911252.db2.gz ADPWPIWSTQIWFE-DZGCQCFKSA-N 1 0 273.380 3.027 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](CO)Cc1ccccc1)c1ccc(C)cc1O ZINC000280075696 522923214 /nfs/dbraw/zinc/92/32/14/522923214.db2.gz LJTPCVVHBPOZQN-SJLPKXTDSA-N 1 0 299.414 3.345 20 10 CGCDRO COCc1cccc(C[NH2+]Cc2cc(C)ccc2O)c1 ZINC000071408183 523054411 /nfs/dbraw/zinc/05/44/11/523054411.db2.gz DVUBWUGOOWQIQI-UHFFFAOYSA-N 1 0 271.360 3.137 20 10 CGCDRO C[C@H](CCO)C[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000097435907 524208413 /nfs/dbraw/zinc/20/84/13/524208413.db2.gz JYGOSWYTKZQXJX-CHWSQXEVSA-N 1 0 273.376 3.215 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](CC(F)(F)F)C2)c1 ZINC000278423279 524744040 /nfs/dbraw/zinc/74/40/40/524744040.db2.gz RXEJSTCVCZJVSC-SNVBAGLBSA-N 1 0 289.297 3.175 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+]C2CC(F)(F)C2)c1O ZINC000277364296 524867837 /nfs/dbraw/zinc/86/78/37/524867837.db2.gz FILQWHPVRGADIX-UHFFFAOYSA-N 1 0 261.699 3.241 20 10 CGCDRO C[C@H]([NH2+]CC1(C)CCOCC1)c1ccc(N(C)C)cc1 ZINC000222240566 525316069 /nfs/dbraw/zinc/31/60/69/525316069.db2.gz RWZDWEUDFGMCEC-AWEZNQCLSA-N 1 0 276.424 3.220 20 10 CGCDRO CSC1(C[NH2+]Cc2ccc3c(c2)CCCN3C)CC1 ZINC000235133896 525334111 /nfs/dbraw/zinc/33/41/11/525334111.db2.gz YPLKLIXHEUAVDE-UHFFFAOYSA-N 1 0 276.449 3.054 20 10 CGCDRO Cc1ccc(O)c(CNc2ccc(C[NH+](C)C)cc2)c1 ZINC000071407911 525355301 /nfs/dbraw/zinc/35/53/01/525355301.db2.gz CFKBMPUYJVFTHG-UHFFFAOYSA-N 1 0 270.376 3.374 20 10 CGCDRO C[C@@H]([NH2+]C[C@H](O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000037257320 525496589 /nfs/dbraw/zinc/49/65/89/525496589.db2.gz FDLRUDVQIADEPV-KDOFPFPSSA-N 1 0 284.403 3.137 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1COc2ccccc21)c1ccccc1O ZINC000290261354 525506449 /nfs/dbraw/zinc/50/64/49/525506449.db2.gz KSMCTCXXXOPXBA-OLZOCXBDSA-N 1 0 269.344 3.219 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C)nc2)c(O)c1 ZINC000062050673 525733991 /nfs/dbraw/zinc/73/39/91/525733991.db2.gz YXFNGNBEANITOX-CYBMUJFWSA-N 1 0 256.349 3.255 20 10 CGCDRO COc1cccc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)c1 ZINC000037680183 526030824 /nfs/dbraw/zinc/03/08/24/526030824.db2.gz BUBIFBMKDHEYHK-LBPRGKRZSA-N 1 0 287.359 3.260 20 10 CGCDRO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccc(N(C)C)c(C)c3)C2)c1 ZINC000293518126 526267209 /nfs/dbraw/zinc/26/72/09/526267209.db2.gz IKWISQHKMMHKDA-QGZVFWFLSA-N 1 0 298.434 3.013 20 10 CGCDRO Cc1nnc(CC[NH2+][C@@H](C)c2ccc(C)c(C)c2O)s1 ZINC000289901943 526329702 /nfs/dbraw/zinc/32/97/02/526329702.db2.gz TYUITJQJSOZTPC-NSHDSACASA-N 1 0 291.420 3.062 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCOC[C@H]2C)cc1 ZINC000191749683 528307589 /nfs/dbraw/zinc/30/75/89/528307589.db2.gz QUKLBOHEFSVJHT-RHSMWYFYSA-N 1 0 276.424 3.047 20 10 CGCDRO CCOc1ccc(C[NH2+][C@@H]2CCc3c2cccc3O)c(O)c1 ZINC000729685603 571929348 /nfs/dbraw/zinc/92/93/48/571929348.db2.gz BVVALVBZRPLKTB-MRXNPFEDSA-N 1 0 299.370 3.274 20 10 CGCDRO COc1cccc(O)c1C[NH2+]CCC1=CCCCC1 ZINC000725844044 572437261 /nfs/dbraw/zinc/43/72/61/572437261.db2.gz KEMVJGUROUXYJB-UHFFFAOYSA-N 1 0 261.365 3.381 20 10 CGCDRO CCOc1cc(C[NH2+]Cc2cc(C)ccc2O)ccc1O ZINC000733328134 572556238 /nfs/dbraw/zinc/55/62/38/572556238.db2.gz IMIAXNJLRWHHRF-UHFFFAOYSA-N 1 0 287.359 3.095 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H](C)Cc2ccco2)cc1C ZINC000742366666 572567124 /nfs/dbraw/zinc/56/71/24/572567124.db2.gz OUBBQBDDEUXCCU-CYBMUJFWSA-N 1 0 259.349 3.323 20 10 CGCDRO CC(C)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000743503773 572667787 /nfs/dbraw/zinc/66/77/87/572667787.db2.gz XQSJYBSJJFNMFY-UHFFFAOYSA-N 1 0 277.368 3.083 20 10 CGCDRO COCC[N@H+](Cc1ccc(N(C)C)cc1)C1CCCC1 ZINC000746152487 572856866 /nfs/dbraw/zinc/85/68/66/572856866.db2.gz LLKWASZHSOIAPZ-UHFFFAOYSA-N 1 0 276.424 3.144 20 10 CGCDRO CO[C@@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000746754083 572895157 /nfs/dbraw/zinc/89/51/57/572895157.db2.gz KETCFHGQHPFIMY-CHWSQXEVSA-N 1 0 269.772 3.093 20 10 CGCDRO COC(C)(C)[C@@H](C)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000896608498 620036576 /nfs/dbraw/zinc/03/65/76/620036576.db2.gz PPFLBSRVNSFCNQ-SNVBAGLBSA-N 1 0 271.788 3.257 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000083551259 618009592 /nfs/dbraw/zinc/00/95/92/618009592.db2.gz KJJGJIZSFJXQDO-UHFFFAOYSA-N 1 0 291.734 3.064 20 10 CGCDRO CC[C@H]1CCC[C@H]([NH2+]Cc2cccc(OC)c2O)C1 ZINC000085064250 618048973 /nfs/dbraw/zinc/04/89/73/618048973.db2.gz VICKUMNWUZWDLK-JSGCOSHPSA-N 1 0 263.381 3.459 20 10 CGCDRO COc1ccc(C[N@H+](C)[C@H]2CCC[C@H](C)C2)c(O)c1OC ZINC000891601402 618241038 /nfs/dbraw/zinc/24/10/38/618241038.db2.gz HIWDBYOAAYPQLG-JSGCOSHPSA-N 1 0 293.407 3.420 20 10 CGCDRO COc1ccc(C[NH+](CC2CC2)CC2CC2)c(O)c1OC ZINC000892060424 618512242 /nfs/dbraw/zinc/51/22/42/618512242.db2.gz KFRURYYCLQFHJU-UHFFFAOYSA-N 1 0 291.391 3.031 20 10 CGCDRO CC[C@H](C)C[N@H+](CC)Cc1ccc(OC)c(OC)c1O ZINC000892193527 618584447 /nfs/dbraw/zinc/58/44/47/618584447.db2.gz XAGNPOHKUHNJEW-LBPRGKRZSA-N 1 0 281.396 3.277 20 10 CGCDRO Fc1cc(F)cc(CC[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000051634464 618617371 /nfs/dbraw/zinc/61/73/71/618617371.db2.gz ZCBKUOFQRGZRIA-UHFFFAOYSA-N 1 0 289.325 3.232 20 10 CGCDRO C[C@@H]1C[C@H](C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)[C@H](C)O1 ZINC000840871092 618732271 /nfs/dbraw/zinc/73/22/71/618732271.db2.gz BLVFLKCZXGMCRA-SVPLCASGSA-N 1 0 293.382 3.483 20 10 CGCDRO CC[C@@H]([NH2+]CCSC)c1cc(Cl)ccc1O ZINC000309716230 618765770 /nfs/dbraw/zinc/76/57/70/618765770.db2.gz TUSYTIGSKZKUKG-LLVKDONJSA-N 1 0 259.802 3.449 20 10 CGCDRO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)Cc1ccccc1O ZINC000179573562 618796379 /nfs/dbraw/zinc/79/63/79/618796379.db2.gz NVLDVUJWWFBVEL-ZDUSSCGKSA-N 1 0 271.360 3.161 20 10 CGCDRO CC[C@H]([NH2+]C[C@@](C)(O)C(C)C)c1ccc(N(C)C)cc1 ZINC000178118223 618857561 /nfs/dbraw/zinc/85/75/61/618857561.db2.gz JWVCYCSSQHODNR-DLBZAZTESA-N 1 0 278.440 3.200 20 10 CGCDRO CC[C@H]([NH2+][C@H](COC)C(C)C)c1ccc(N(C)C)cc1 ZINC000165918189 618900993 /nfs/dbraw/zinc/90/09/93/618900993.db2.gz SPULZEVSJSQPGG-DLBZAZTESA-N 1 0 278.440 3.464 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H](C2CC2)N(C)C)cc1 ZINC000166221185 618903240 /nfs/dbraw/zinc/90/32/40/618903240.db2.gz ZOCZIEOPOAHCRY-KDOFPFPSSA-N 1 0 289.467 3.134 20 10 CGCDRO CC[C@H](CSC)[NH2+][C@H](C)c1cc(C)ccc1O ZINC000168862408 618913993 /nfs/dbraw/zinc/91/39/93/618913993.db2.gz BYEQAFAAEHRENV-VXGBXAGGSA-N 1 0 253.411 3.493 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCN(C)Cc2ccccc2)c(O)c1 ZINC000185111512 625304351 /nfs/dbraw/zinc/30/43/51/625304351.db2.gz FRXVMUUPFSFPKQ-INIZCTEOSA-N 1 0 298.430 3.483 20 10 CGCDRO COc1ccc(C[NH2+]CC2(C)CCCC2)c(O)c1OC ZINC000892946660 618960016 /nfs/dbraw/zinc/96/00/16/618960016.db2.gz JPKCMHYBRCEKLF-UHFFFAOYSA-N 1 0 279.380 3.079 20 10 CGCDRO COc1ccc(C[NH2+]C2CCC(C)(C)CC2)c(O)c1OC ZINC000893028124 618979801 /nfs/dbraw/zinc/97/98/01/618979801.db2.gz DZWBMVQHVZEAIQ-UHFFFAOYSA-N 1 0 293.407 3.468 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCc2cscn2)c(Cl)c1 ZINC000840897970 619003294 /nfs/dbraw/zinc/00/32/94/619003294.db2.gz CZIDOAOQDGCZIO-UHFFFAOYSA-N 1 0 282.796 3.143 20 10 CGCDRO Cc1cccc(C[NH2+]Cc2ccc(C#N)cc2F)c1O ZINC000182191819 619033736 /nfs/dbraw/zinc/03/37/36/619033736.db2.gz STXOYLYNUADTIA-UHFFFAOYSA-N 1 0 270.307 3.001 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H]2C[C@H](C)N(C3CC3)C2)c(Cl)c1 ZINC000840904279 619088170 /nfs/dbraw/zinc/08/81/70/619088170.db2.gz IJKLUDXMXCIETA-RYUDHWBXSA-N 1 0 294.826 3.069 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+][C@H]2CCS[C@H]2C)c1O ZINC000311049007 619108669 /nfs/dbraw/zinc/10/86/69/619108669.db2.gz HZGJMJROQWUKPF-KWQFWETISA-N 1 0 287.812 3.038 20 10 CGCDRO Cc1c[nH+]ccc1NCc1ccc(N(C)C)c(F)c1 ZINC000192543846 619119476 /nfs/dbraw/zinc/11/94/76/619119476.db2.gz RDXMNIGWWPWKFV-UHFFFAOYSA-N 1 0 259.328 3.207 20 10 CGCDRO CCCN(Cc1ccc([N+](=O)[O-])cc1)c1ccc(C[NH3+])cc1 ZINC000194980445 619144694 /nfs/dbraw/zinc/14/46/94/619144694.db2.gz UEKKSVGFKFSNCU-UHFFFAOYSA-N 1 0 299.374 3.470 20 10 CGCDRO CCC[C@@]1(COC)CCC[N@@H+]1Cc1ccccc1O ZINC000195199208 619147558 /nfs/dbraw/zinc/14/75/58/619147558.db2.gz SGQYWTWVDFLNRC-INIZCTEOSA-N 1 0 263.381 3.173 20 10 CGCDRO CC1(C)COC[C@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000313067858 619162611 /nfs/dbraw/zinc/16/26/11/619162611.db2.gz WDPVCZROKDZWEA-QGZVFWFLSA-N 1 0 288.435 3.192 20 10 CGCDRO CC[C@H]([NH2+]CC1(OC)CCCC1)c1ccccc1O ZINC000312095901 619241754 /nfs/dbraw/zinc/24/17/54/619241754.db2.gz RNQLOBPCNIDBCJ-AWEZNQCLSA-N 1 0 263.381 3.392 20 10 CGCDRO CC[C@H](C[NH2+]Cc1c(O)cccc1OC)CC(F)(F)F ZINC000840960773 619279473 /nfs/dbraw/zinc/27/94/73/619279473.db2.gz UQHFXVRRKYIQOM-JTQLQIEISA-N 1 0 291.313 3.469 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc(O)c2)c(O)c1 ZINC000185300282 625337177 /nfs/dbraw/zinc/33/71/77/625337177.db2.gz CEHMRCDOBXOOFI-LBPRGKRZSA-N 1 0 257.333 3.257 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(O)c2)c(O)c1 ZINC000185300266 625337190 /nfs/dbraw/zinc/33/71/90/625337190.db2.gz CEHMRCDOBXOOFI-GFCCVEGCSA-N 1 0 257.333 3.257 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H](C)CC2)c(O)c1OC ZINC000893907579 619329360 /nfs/dbraw/zinc/32/93/60/619329360.db2.gz NGTYXWZMBHBDQE-GXTWGEPZSA-N 1 0 293.407 3.468 20 10 CGCDRO COc1ccc(C[NH2+]Cc2ccc3c(c2)CCCO3)c(O)c1 ZINC000894184814 619407589 /nfs/dbraw/zinc/40/75/89/619407589.db2.gz HFBLKPRPRVBCTO-UHFFFAOYSA-N 1 0 299.370 3.016 20 10 CGCDRO CC[C@H]([NH2+]Cc1cc(C)cc(OC)c1O)C1CCOCC1 ZINC000894324785 619492064 /nfs/dbraw/zinc/49/20/64/619492064.db2.gz BXUZEXUYLHAHDM-HNNXBMFYSA-N 1 0 293.407 3.004 20 10 CGCDRO CCC1([NH2+]Cc2ccc(OC)c(OC)c2O)CCCC1 ZINC000894687293 619603953 /nfs/dbraw/zinc/60/39/53/619603953.db2.gz AZSQEFOAPDMHFH-UHFFFAOYSA-N 1 0 279.380 3.222 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1cc(F)ccc1O ZINC000185378336 625354383 /nfs/dbraw/zinc/35/43/83/625354383.db2.gz ILCWHZCGGLNNHH-SNVBAGLBSA-N 1 0 288.297 3.393 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@@H]2COCc3ccccc32)c1O ZINC000895023733 619696630 /nfs/dbraw/zinc/69/66/30/619696630.db2.gz BQEKVOJITYALNE-MRXNPFEDSA-N 1 0 299.370 3.070 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@H]2COCc3ccccc32)c1O ZINC000895023732 619696862 /nfs/dbraw/zinc/69/68/62/619696862.db2.gz BQEKVOJITYALNE-INIZCTEOSA-N 1 0 299.370 3.070 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]Cc1ccnn1C1CCC1 ZINC000895155130 619759619 /nfs/dbraw/zinc/75/96/19/619759619.db2.gz DEUUMFDKTNJNIO-UHFFFAOYSA-N 1 0 291.782 3.257 20 10 CGCDRO COc1cc(C)cc(C[NH2+]Cc2cccc(F)c2F)c1O ZINC000895417482 619823899 /nfs/dbraw/zinc/82/38/99/619823899.db2.gz BGRIXBFWLGZQOZ-UHFFFAOYSA-N 1 0 293.313 3.277 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCc2cccnc21)c1ccccc1O ZINC000895460154 619833675 /nfs/dbraw/zinc/83/36/75/619833675.db2.gz LNECUVVEGVNJCB-FZMZJTMJSA-N 1 0 254.333 3.125 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]CC(C)(C)CC(F)F ZINC000895534607 619843195 /nfs/dbraw/zinc/84/31/95/619843195.db2.gz KJSOMVHJPFRVJK-UHFFFAOYSA-N 1 0 257.324 3.472 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@H]2CC3(CCC3)CO2)c1O ZINC000895789763 619885954 /nfs/dbraw/zinc/88/59/54/619885954.db2.gz PGYHZUQNVNFPDR-OAHLLOKOSA-N 1 0 275.392 3.003 20 10 CGCDRO [O-]c1c(Cl)cccc1C[NH2+]C[C@@H]1CC2(CCC2)CO1 ZINC000895792340 619886388 /nfs/dbraw/zinc/88/63/88/619886388.db2.gz YDAFLIPHORWJAK-LBPRGKRZSA-N 1 0 281.783 3.094 20 10 CGCDRO CCOc1ccc(C[NH2+][C@@H](C)c2ccccc2O)o1 ZINC000895850625 619897313 /nfs/dbraw/zinc/89/73/13/619897313.db2.gz CXSFBBLKCWTROV-NSHDSACASA-N 1 0 261.321 3.235 20 10 CGCDRO Cc1cccc(C[NH2+]Cc2nccc3c2CCCC3)c1O ZINC000896281385 619986086 /nfs/dbraw/zinc/98/60/86/619986086.db2.gz JTAOBAAXBIGEQS-UHFFFAOYSA-N 1 0 282.387 3.264 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)cc1Cl ZINC000896851480 620077201 /nfs/dbraw/zinc/07/72/01/620077201.db2.gz UZRCQDJPIAKJSU-YUTCNCBUSA-N 1 0 293.794 3.035 20 10 CGCDRO COc1cc(O)c(C[NH2+]CC2CCC=CCC2)cc1OC ZINC000897244322 620170331 /nfs/dbraw/zinc/17/03/31/620170331.db2.gz CIBVLGHMZBTUGT-UHFFFAOYSA-N 1 0 291.391 3.245 20 10 CGCDRO Oc1ccc(Br)cc1C[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000797905017 620238417 /nfs/dbraw/zinc/23/84/17/620238417.db2.gz TYJUDJFOLVPEOK-STQMWFEESA-N 1 0 296.208 3.433 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000797904956 620238457 /nfs/dbraw/zinc/23/84/57/620238457.db2.gz SMLTVKXWVVJFMT-STQMWFEESA-N 1 0 251.757 3.324 20 10 CGCDRO O[C@@H]1CCCC[C@@H]1CC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000897533524 620378903 /nfs/dbraw/zinc/37/89/03/620378903.db2.gz RRHOANZPSJTBIT-NVXWUHKLSA-N 1 0 289.419 3.042 20 10 CGCDRO Cc1cccc(C[NH2+]C[C@@H]2CCCC(C)(C)O2)c1O ZINC000898048678 620464598 /nfs/dbraw/zinc/46/45/98/620464598.db2.gz PHUHDYUMDAQMHU-AWEZNQCLSA-N 1 0 263.381 3.138 20 10 CGCDRO CCc1cccc(C[NH+]2CC(Cc3ccoc3)C2)c1O ZINC000898160089 620484594 /nfs/dbraw/zinc/48/45/94/620484594.db2.gz QFOUHZHDSLPMSJ-UHFFFAOYSA-N 1 0 271.360 3.222 20 10 CGCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]CC[C@H](O)C1CC1 ZINC000898206774 620487731 /nfs/dbraw/zinc/48/77/31/620487731.db2.gz VPWXKJWKUYFDFN-IBGZPJMESA-N 1 0 297.398 3.310 20 10 CGCDRO CC[C@](C)(C[NH2+][C@@H](C)c1cc(C)ccc1O)OC ZINC000322962487 620526388 /nfs/dbraw/zinc/52/63/88/620526388.db2.gz UXQTZRLNXXUNKJ-SWLSCSKDSA-N 1 0 251.370 3.166 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@]2(C)CCCCO2)c1 ZINC000927015238 620561810 /nfs/dbraw/zinc/56/18/10/620561810.db2.gz ADIAFUVBLPEGKI-LRDDRELGSA-N 1 0 279.380 3.011 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C[C@H](O)c2ccco2)c(O)c1 ZINC000185837295 625463272 /nfs/dbraw/zinc/46/32/72/625463272.db2.gz TYUXXYOKODQOON-WWGRRREGSA-N 1 0 289.375 3.456 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)c1ccc(Cl)cc1O ZINC000903259576 621646822 /nfs/dbraw/zinc/64/68/22/621646822.db2.gz HFGOPKJETVDZLM-RJIBLYRGSA-N 1 0 281.783 3.264 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]C2CC3(C2)CO[C@@H](C)C3)c1O ZINC000903280557 621660197 /nfs/dbraw/zinc/66/01/97/621660197.db2.gz VFBDNIHZTXIWTH-IWZJZLAVSA-N 1 0 291.391 3.009 20 10 CGCDRO C[C@H]([NH2+][C@@H](CO)CCc1ccccc1)c1ccccc1O ZINC000903290159 621673714 /nfs/dbraw/zinc/67/37/14/621673714.db2.gz RVEOKTUGWWJHTB-GOEBONIOSA-N 1 0 285.387 3.037 20 10 CGCDRO COC(C)(C)[C@H](C)[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000903333449 621689518 /nfs/dbraw/zinc/68/95/18/621689518.db2.gz ZTVWZRVZXACOCM-OLZOCXBDSA-N 1 0 265.397 3.473 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(CCO)cc1)c1ccc(N(C)C)cc1 ZINC000903396179 621720053 /nfs/dbraw/zinc/72/00/53/621720053.db2.gz JXXJBVDKEPSFPJ-OAHLLOKOSA-N 1 0 298.430 3.138 20 10 CGCDRO C[C@@H](N[C@H](CC[NH+](C)C)c1cccnc1)c1ccccc1O ZINC000903379697 621722855 /nfs/dbraw/zinc/72/28/55/621722855.db2.gz IBDAQXGKIAFHPX-RHSMWYFYSA-N 1 0 299.418 3.131 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+][C@H]1CCOC13CCCC3)CC2 ZINC000903389327 621728122 /nfs/dbraw/zinc/72/81/22/621728122.db2.gz PGQITFVKJLDFPO-HIFRSBDPSA-N 1 0 273.376 3.071 20 10 CGCDRO [NH3+]Cc1ccc2c(c1)CCCN2C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000903422425 621751266 /nfs/dbraw/zinc/75/12/66/621751266.db2.gz CDYROLGUGAOXJZ-YOWGUQMCSA-N 1 0 292.373 3.189 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCOC2CCSCC2)c1 ZINC000903444884 621756011 /nfs/dbraw/zinc/75/60/11/621756011.db2.gz FFKPBUOXULDXTO-CYBMUJFWSA-N 1 0 295.448 3.263 20 10 CGCDRO COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](C)c2cc(C)ccc2O)C1 ZINC000903450079 621760704 /nfs/dbraw/zinc/76/07/04/621760704.db2.gz DKTBXGOJIZMTDI-MCIONIFRSA-N 1 0 291.391 3.083 20 10 CGCDRO CCCCC[C@@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000042879795 621889365 /nfs/dbraw/zinc/88/93/65/621889365.db2.gz WDAKXZRFNZOABM-LLVKDONJSA-N 1 0 265.353 3.179 20 10 CGCDRO CC[C@H](C)[C@@H](O)C[NH2+][C@@H](C)c1ccc(N(C)CC)cc1 ZINC000163923692 622806308 /nfs/dbraw/zinc/80/63/08/622806308.db2.gz BBIMMYBVABLHDX-ZQIUZPCESA-N 1 0 278.440 3.200 20 10 CGCDRO COc1ccc(N2CCC([NH2+][C@@H](C)C3CCC3)CC2)cc1 ZINC000157379554 622899295 /nfs/dbraw/zinc/89/92/95/622899295.db2.gz AMONAYQQNJRBAQ-AWEZNQCLSA-N 1 0 288.435 3.442 20 10 CGCDRO CS[C@H]1CC[C@H]([NH2+]Cc2c(C)cccc2O)C1 ZINC000877068028 622930152 /nfs/dbraw/zinc/93/01/52/622930152.db2.gz LRWBPWOFHMARKF-RYUDHWBXSA-N 1 0 251.395 3.074 20 10 CGCDRO CSCC[C@@H](C)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000168788008 623014512 /nfs/dbraw/zinc/01/45/12/623014512.db2.gz ZDLOECZIKKFOGE-NXEZZACHSA-N 1 0 257.374 3.324 20 10 CGCDRO CC1(C)C[C@@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000227440803 623019483 /nfs/dbraw/zinc/01/94/83/623019483.db2.gz BGLOYZPCIQOAQJ-NSHDSACASA-N 1 0 270.170 3.043 20 10 CGCDRO CCOc1cccc(C[NH2+]CC2(CC)CCC2)c1O ZINC000227762724 623030909 /nfs/dbraw/zinc/03/09/09/623030909.db2.gz HHQDDGRZYVVTMN-UHFFFAOYSA-N 1 0 263.381 3.461 20 10 CGCDRO CS[C@@H]1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000230698599 623263861 /nfs/dbraw/zinc/26/38/61/623263861.db2.gz FFLGAYRLQSBMQM-VXGBXAGGSA-N 1 0 271.813 3.419 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2C[C@@](C)(OC)C2(C)C)c1 ZINC000174136118 623365608 /nfs/dbraw/zinc/36/56/08/623365608.db2.gz QCCSFYVCHZQGFH-NVXWUHKLSA-N 1 0 293.407 3.084 20 10 CGCDRO CCc1nc(C)c(C[NH2+][C@@H](C)c2cc(C)ccc2O)o1 ZINC000312456396 623519819 /nfs/dbraw/zinc/51/98/19/623519819.db2.gz XYOKYLRQKJPKQA-NSHDSACASA-N 1 0 274.364 3.410 20 10 CGCDRO CC[C@H](COC)[NH2+][C@@H](C)c1ccc(N(C)CC)cc1 ZINC000152883940 623727978 /nfs/dbraw/zinc/72/79/78/623727978.db2.gz RIJUSMMYAFINAP-DZGCQCFKSA-N 1 0 264.413 3.218 20 10 CGCDRO C[C@@H](O)c1ccc(C[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC000921583349 625691776 /nfs/dbraw/zinc/69/17/76/625691776.db2.gz NJHFXKOVDFWRKY-CQSZACIVSA-N 1 0 297.398 3.355 20 10 CGCDRO C[C@@H]1C[C@H](C[N@H+](C)Cc2ccccc2O)C[C@H](C)O1 ZINC000929975701 624264617 /nfs/dbraw/zinc/26/46/17/624264617.db2.gz IMZVRYCOTUHMEH-WDNDVIMCSA-N 1 0 263.381 3.028 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)cc1 ZINC000921495922 624596051 /nfs/dbraw/zinc/59/60/51/624596051.db2.gz JNJNSMXNEOVYFS-BRWVUGGUSA-N 1 0 288.435 3.047 20 10 CGCDRO CO[C@]1(C)C[C@@H]([N@H+](C)Cc2ccccc2O)C1(C)C ZINC000179584883 624665961 /nfs/dbraw/zinc/66/59/61/624665961.db2.gz VYNSKRFNWRMCRQ-GDBMZVCRSA-N 1 0 263.381 3.028 20 10 CGCDRO Oc1ccc(F)cc1C[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000180200779 624725888 /nfs/dbraw/zinc/72/58/88/624725888.db2.gz WUHREJPDCNVZAH-INIZCTEOSA-N 1 0 293.382 3.455 20 10 CGCDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2cc(OC)ccc2O)C1(C)C ZINC000180395360 624745070 /nfs/dbraw/zinc/74/50/70/624745070.db2.gz WQXOXXITFLXUHW-JKSUJKDBSA-N 1 0 293.407 3.036 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H](C)c2cccc(C#N)c2)c1 ZINC000181965970 624922530 /nfs/dbraw/zinc/92/25/30/624922530.db2.gz JUWPVLBLXSGMLI-LBPRGKRZSA-N 1 0 282.343 3.123 20 10 CGCDRO CC(C)CC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000070976075 625047238 /nfs/dbraw/zinc/04/72/38/625047238.db2.gz MHPCZXAKJKYXMA-MRXNPFEDSA-N 1 0 277.408 3.419 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000070981904 625048777 /nfs/dbraw/zinc/04/87/77/625048777.db2.gz KXQCCAUKTDVEQZ-INIZCTEOSA-N 1 0 296.414 3.374 20 10 CGCDRO Cc1cccc([C@H](O)C[NH2+][C@H](C)c2ccccc2O)c1 ZINC000183620274 625097518 /nfs/dbraw/zinc/09/75/18/625097518.db2.gz PQLFLTAZEXCZET-CXAGYDPISA-N 1 0 271.360 3.085 20 10 CGCDRO CC[C@@H]1CCC[C@H]([NH2+]Cc2cccc(OC)c2O)C1 ZINC000085064247 625793738 /nfs/dbraw/zinc/79/37/38/625793738.db2.gz VICKUMNWUZWDLK-OCCSQVGLSA-N 1 0 263.381 3.459 20 10 CGCDRO Cc1ccccc1[C@H](CO)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921808450 625883796 /nfs/dbraw/zinc/88/37/96/625883796.db2.gz FCMPVASXQHDPPS-SFHVURJKSA-N 1 0 297.398 3.143 20 10 CGCDRO C[C@@]1([NH2+]Cc2ccc3c(c2)CCCO3)CCO[C@@H]1C1CC1 ZINC000921988900 625953998 /nfs/dbraw/zinc/95/39/98/625953998.db2.gz ABNPEJTVZCBQFR-QZTJIDSGSA-N 1 0 287.403 3.059 20 10 CGCDRO COC/C(C)=C/C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000929295936 626001112 /nfs/dbraw/zinc/00/11/12/626001112.db2.gz NFUNUYFWJNHQBP-RVDMUPIBSA-N 1 0 288.435 3.310 20 10 CGCDRO CCN(C)c1ccc(C[N@H+](C)CCC2CCOCC2)cc1 ZINC000773764654 626046258 /nfs/dbraw/zinc/04/62/58/626046258.db2.gz AVTHSIVZWHRQRS-UHFFFAOYSA-N 1 0 290.451 3.391 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@]2(C)CCCCO2)cc1C ZINC000922821113 626052070 /nfs/dbraw/zinc/05/20/70/626052070.db2.gz UXKWFUFOGJTNOV-MRXNPFEDSA-N 1 0 263.381 3.058 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H]2CCCc3cccnc32)c1 ZINC000922880183 626062169 /nfs/dbraw/zinc/06/21/69/626062169.db2.gz HIOKBUCHQYMYRM-HNNXBMFYSA-N 1 0 268.360 3.263 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](COC)C(C)C)c1ccccc1O ZINC000086697349 626085379 /nfs/dbraw/zinc/08/53/79/626085379.db2.gz NTYXBEAOQDTKJW-KGLIPLIRSA-N 1 0 251.370 3.104 20 10 CGCDRO CC[C@H](C)[C@](C)(O)C[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000756576439 626103448 /nfs/dbraw/zinc/10/34/48/626103448.db2.gz NMCXEJJTEIYVAU-RVSPLBMKSA-N 1 0 279.424 3.457 20 10 CGCDRO COc1cccc(C[NH2+]CC2CCC=CCC2)c1O ZINC000922966518 626109224 /nfs/dbraw/zinc/10/92/24/626109224.db2.gz POWBSTBEWQCPAN-UHFFFAOYSA-N 1 0 261.365 3.237 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C2([C@H]3CCCCO3)CC2)cc1F ZINC000923029189 626123982 /nfs/dbraw/zinc/12/39/82/626123982.db2.gz FGAANMSKQBNHBM-MRXNPFEDSA-N 1 0 292.398 3.083 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCN(C(C)C)C(C)C)c(O)c1 ZINC000020086719 634480992 /nfs/dbraw/zinc/48/09/92/634480992.db2.gz KIOBNLVHSSNHBF-OAHLLOKOSA-N 1 0 278.440 3.470 20 10 CGCDRO CCC[N@H+](Cc1cnc(C2CC2)nc1)Cc1ccccc1O ZINC000838808571 626256293 /nfs/dbraw/zinc/25/62/93/626256293.db2.gz FIQNMUQJOXERIR-UHFFFAOYSA-N 1 0 297.402 3.472 20 10 CGCDRO CC(C)O[C@H]1C[C@@H]([NH2+]C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000839147190 626317171 /nfs/dbraw/zinc/31/71/71/626317171.db2.gz FKVPFZLLKLCCQA-WNHMFEDGSA-N 1 0 288.435 3.311 20 10 CGCDRO CCOc1cccc(C[NH+]2CC(CC)(CC)C2)c1O ZINC000839131860 626321873 /nfs/dbraw/zinc/32/18/73/626321873.db2.gz FGZBYMKMMYPUCE-UHFFFAOYSA-N 1 0 263.381 3.413 20 10 CGCDRO COc1ccc(O)c(C[NH+]2CC(C3CCCCC3)C2)c1 ZINC000839135881 626321997 /nfs/dbraw/zinc/32/19/97/626321997.db2.gz JSFAARHBFOMGLA-UHFFFAOYSA-N 1 0 275.392 3.413 20 10 CGCDRO CCOC[C@H]1CCCC[N@@H+]1Cc1cc(OCC)ccc1O ZINC000839170622 626325293 /nfs/dbraw/zinc/32/52/93/626325293.db2.gz PTNKQKZVWLSMGO-OAHLLOKOSA-N 1 0 293.407 3.182 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2cnc(C)o2)cc1 ZINC000840797209 626354460 /nfs/dbraw/zinc/35/44/60/626354460.db2.gz QHEJDUFVZCUBJW-GFCCVEGCSA-N 1 0 273.380 3.290 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2cc(F)ccc2O)CC(C)(C)C1 ZINC000753576849 626456274 /nfs/dbraw/zinc/45/62/74/626456274.db2.gz VGOQTDJADNGHCS-NSHDSACASA-N 1 0 251.345 3.399 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+][C@]2(C)CCO[C@H]2C)c1O ZINC000753577176 626456408 /nfs/dbraw/zinc/45/64/08/626456408.db2.gz RVEFYSSVYKHVRV-IINYFYTJSA-N 1 0 269.772 3.011 20 10 CGCDRO C[C@@H](Cc1ccoc1)[NH2+]Cc1cc(Cl)ccc1O ZINC000754045632 626472974 /nfs/dbraw/zinc/47/29/74/626472974.db2.gz GXXDYKVHQKAABD-JTQLQIEISA-N 1 0 265.740 3.359 20 10 CGCDRO C[C@@H]1C[C@H]1C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000754099173 626475586 /nfs/dbraw/zinc/47/55/86/626475586.db2.gz BTTIVVDXDSOQJX-VNQPRFMTSA-N 1 0 275.392 3.029 20 10 CGCDRO C[C@@H]1C[C@@H]1C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000754102008 626475608 /nfs/dbraw/zinc/47/56/08/626475608.db2.gz OOTZUPGFGDNOTK-UKRRQHHQSA-N 1 0 258.409 3.373 20 10 CGCDRO COCC[N@H+](Cc1cc(C)cc(OC)c1O)C1CCCC1 ZINC000754721021 626584549 /nfs/dbraw/zinc/58/45/49/626584549.db2.gz ZMRNTYBRWZRFCZ-UHFFFAOYSA-N 1 0 293.407 3.100 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@H]3COCC[C@H]32)c1 ZINC000754738789 626585997 /nfs/dbraw/zinc/58/59/97/626585997.db2.gz GCSXQBKDJJTFPO-GOEBONIOSA-N 1 0 275.392 3.010 20 10 CGCDRO Cc1cc(CC[NH2+][C@H]2CCOC2)c(C)n1-c1ccccc1 ZINC000756103785 626677157 /nfs/dbraw/zinc/67/71/57/626677157.db2.gz UELCBJQBMYIMBU-KRWDZBQOSA-N 1 0 284.403 3.015 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](CO)Cc2ccccc2)c(O)c1 ZINC000756460846 626706745 /nfs/dbraw/zinc/70/67/45/626706745.db2.gz UJVFYOCFBIFIIA-NVXWUHKLSA-N 1 0 299.414 3.202 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCCO2)c2c1c(F)ccc2O ZINC000756457817 626707113 /nfs/dbraw/zinc/70/71/13/626707113.db2.gz UULSBQYMSCAOIJ-WZRBSPASSA-N 1 0 279.355 3.238 20 10 CGCDRO C[C@H]1C[C@@H]([NH2+]CC2(O)CCCCC2)c2c1c(F)ccc2O ZINC000756513401 626711178 /nfs/dbraw/zinc/71/11/78/626711178.db2.gz IOSCKVHBHULCBS-WCQYABFASA-N 1 0 293.382 3.364 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@](C)(O)C(C)C)c(O)c1C ZINC000756578598 626717368 /nfs/dbraw/zinc/71/73/68/626717368.db2.gz XBRDNFXNZVQYDP-CZUORRHYSA-N 1 0 265.397 3.067 20 10 CGCDRO CC[C@H](C)[C@@](C)(O)C[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000756578602 626717383 /nfs/dbraw/zinc/71/73/83/626717383.db2.gz XBSPJAYOASIFFG-XEZPLFJOSA-N 1 0 265.397 3.148 20 10 CGCDRO CO[C@@H](C[NH2+][C@H](C)c1cc(Cl)ccc1O)C(C)C ZINC000756628911 626721875 /nfs/dbraw/zinc/72/18/75/626721875.db2.gz YRASXUKXOYDVNX-YGRLFVJLSA-N 1 0 271.788 3.367 20 10 CGCDRO CCCN(CC)CC[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756638871 626723176 /nfs/dbraw/zinc/72/31/76/626723176.db2.gz WJHVWEOHSLNPTN-OCCSQVGLSA-N 1 0 294.414 3.401 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H](CO)c2ccccc2C)c(O)c1 ZINC000756637094 626723427 /nfs/dbraw/zinc/72/34/27/626723427.db2.gz MLTKYGYFCQNXOW-WMLDXEAASA-N 1 0 285.387 3.393 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)C[C@H]2CCOC2)c1 ZINC000756645724 626724076 /nfs/dbraw/zinc/72/40/76/626724076.db2.gz JLNXVPCPWQTMBI-MELADBBJSA-N 1 0 263.381 3.166 20 10 CGCDRO CC[C@@H](O)CCC[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000756733008 626728673 /nfs/dbraw/zinc/72/86/73/626728673.db2.gz LVZKUENSTGNMDX-XJKSGUPXSA-N 1 0 291.435 3.473 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCc2ccc(CO)cc2)c1 ZINC000756792112 626733114 /nfs/dbraw/zinc/73/31/14/626733114.db2.gz YFLCXTMDJAZFCP-CQSZACIVSA-N 1 0 285.387 3.086 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2c2ccccc2)cc1 ZINC000839634649 626769123 /nfs/dbraw/zinc/76/91/23/626769123.db2.gz DYRIBXGMUKXECD-RTBURBONSA-N 1 0 296.414 3.061 20 10 CGCDRO CC(C)OCC[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000757686994 626800592 /nfs/dbraw/zinc/80/05/92/626800592.db2.gz KYZMADKWDOGFAD-JQWIXIFHSA-N 1 0 267.344 3.094 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+]C2(CO)CCCCC2)c1O ZINC000762785455 627123834 /nfs/dbraw/zinc/12/38/34/627123834.db2.gz IUIXWRHRRUUCTQ-UHFFFAOYSA-N 1 0 283.799 3.139 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](CCO)C2CCCCC2)cc1C ZINC000763509620 627161679 /nfs/dbraw/zinc/16/16/79/627161679.db2.gz BRPFHSCHURPXEO-KRWDZBQOSA-N 1 0 291.435 3.425 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CCc2cccc(C)c2C1 ZINC000763508993 627161693 /nfs/dbraw/zinc/16/16/93/627161693.db2.gz WZHPBBWGOHRFTH-UHFFFAOYSA-N 1 0 283.371 3.268 20 10 CGCDRO c1n[nH]c2c1CCC[C@H]2[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000765280961 627244875 /nfs/dbraw/zinc/24/48/75/627244875.db2.gz MZTNEPFGOVBHPI-QGZVFWFLSA-N 1 0 296.418 3.177 20 10 CGCDRO CCN1CCCC[C@@H]1C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000765902921 627277997 /nfs/dbraw/zinc/27/79/97/627277997.db2.gz GJPGFPMNSDXPIL-CRAIPNDOSA-N 1 0 289.467 3.278 20 10 CGCDRO CCCC[C@H](COC)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000766029365 627289086 /nfs/dbraw/zinc/28/90/86/627289086.db2.gz JJTOOHMYLDZKMU-MRXNPFEDSA-N 1 0 278.440 3.356 20 10 CGCDRO Cc1cc(C)cc(C[N@@H+](C)Cc2cc3c(cc2O)OCO3)c1 ZINC000766091035 627294765 /nfs/dbraw/zinc/29/47/65/627294765.db2.gz KXUAFSJZFKWLPS-UHFFFAOYSA-N 1 0 299.370 3.370 20 10 CGCDRO CC[C@H](C[C@H](C)CO)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000766362010 627323843 /nfs/dbraw/zinc/32/38/43/627323843.db2.gz ZPUZLIJVHBXRSS-SQWLQELKSA-N 1 0 278.440 3.200 20 10 CGCDRO C[C@H]1C[N@@H+](Cc2c(O)ccc3ccncc32)CC[C@@H]1C ZINC000766375154 627324271 /nfs/dbraw/zinc/32/42/71/627324271.db2.gz RMJZWWZWNZJPLE-STQMWFEESA-N 1 0 270.376 3.418 20 10 CGCDRO CC/C=C\CC[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000767322860 627398297 /nfs/dbraw/zinc/39/82/97/627398297.db2.gz KSWAZHOVGZBCJE-PLNGDYQASA-N 1 0 292.398 3.313 20 10 CGCDRO CC[N@@H+](Cc1cc2c(cc1O)CCCC2)C[C@H]1CCOC1 ZINC000768446625 627480753 /nfs/dbraw/zinc/48/07/53/627480753.db2.gz LQMGIMNHSZVSMO-CQSZACIVSA-N 1 0 289.419 3.129 20 10 CGCDRO CC(C)O[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2O)C1(C)C ZINC000768524874 627484016 /nfs/dbraw/zinc/48/40/16/627484016.db2.gz RASHZFMMIXQNJP-GJZGRUSLSA-N 1 0 281.371 3.213 20 10 CGCDRO CCOc1ccc(C[N@H+](CC2CC2)C(C)C)c(O)c1 ZINC000768676308 627492589 /nfs/dbraw/zinc/49/25/89/627492589.db2.gz WFFWOCKEYWMMPK-UHFFFAOYSA-N 1 0 263.381 3.411 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+](Cc2ccccc2)C[C@H](C)O)c1 ZINC000768893891 627506726 /nfs/dbraw/zinc/50/67/26/627506726.db2.gz UPCNQWDSMYTCFN-HNNXBMFYSA-N 1 0 285.387 3.084 20 10 CGCDRO COc1cccc(C[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)c1O ZINC000769106724 627523424 /nfs/dbraw/zinc/52/34/24/627523424.db2.gz OABWNQHDKJUDAJ-MRXNPFEDSA-N 1 0 299.370 3.444 20 10 CGCDRO CCOCC[N@H+](CC)Cc1ccc(N(CC)CC)cc1 ZINC000769139533 627525300 /nfs/dbraw/zinc/52/53/00/627525300.db2.gz ISZHLPXZNQRJSH-UHFFFAOYSA-N 1 0 278.440 3.391 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000769187831 627530399 /nfs/dbraw/zinc/53/03/99/627530399.db2.gz AQSYLDOQLLPHMD-UHFFFAOYSA-N 1 0 291.782 3.148 20 10 CGCDRO C[N@H+](Cc1cn[nH]c1)Cc1cc(-c2ccccc2)ccc1O ZINC000769423296 627551241 /nfs/dbraw/zinc/55/12/41/627551241.db2.gz FCGAXHZQSZXUHV-UHFFFAOYSA-N 1 0 293.370 3.414 20 10 CGCDRO CC1(C)C[N@H+](Cc2cc(Cl)ccc2O)C(C)(C)CO1 ZINC000769446611 627553117 /nfs/dbraw/zinc/55/31/17/627553117.db2.gz PGGUNAGTLVEOAP-UHFFFAOYSA-N 1 0 283.799 3.435 20 10 CGCDRO COc1cccc(O)c1C[NH+]1CCC(C(C)C)CC1 ZINC000769495983 627560036 /nfs/dbraw/zinc/56/00/36/627560036.db2.gz IKWVZKHLMOZTJU-UHFFFAOYSA-N 1 0 263.381 3.269 20 10 CGCDRO Oc1ccc(Br)cc1C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000769513818 627560502 /nfs/dbraw/zinc/56/05/02/627560502.db2.gz FEWSROMDVADLMR-NSHDSACASA-N 1 0 296.208 3.387 20 10 CGCDRO CCCN(CCC)c1ccc(C[N@@H+]2CC[C@](C)(O)C2)cc1 ZINC000769542528 627564480 /nfs/dbraw/zinc/56/44/80/627564480.db2.gz KCCUKLNAPZCCDM-SFHVURJKSA-N 1 0 290.451 3.270 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]Cc1ccc2c(c1)COC2 ZINC000769929039 627590537 /nfs/dbraw/zinc/59/05/37/627590537.db2.gz VBUCSYYITAAUAR-UHFFFAOYSA-N 1 0 289.762 3.366 20 10 CGCDRO C[C@H]1CC[N@H+](Cc2ccc(N(C)C)c(F)c2)[C@H]1C ZINC000770284223 627612008 /nfs/dbraw/zinc/61/20/08/627612008.db2.gz OBUTUVNUSPHCJL-RYUDHWBXSA-N 1 0 250.361 3.122 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](C)c2cnccc2C)c1 ZINC000770750988 627641850 /nfs/dbraw/zinc/64/18/50/627641850.db2.gz QPPDJXVZGYJIPZ-ZDUSSCGKSA-N 1 0 286.375 3.345 20 10 CGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@H]2CCCC[C@@H]2C)c1O ZINC000771791412 627731855 /nfs/dbraw/zinc/73/18/55/627731855.db2.gz LCPHEVXSFHBWTE-BONVTDFDSA-N 1 0 279.355 3.402 20 10 CGCDRO C[C@@H]1COCCC[N@@H+]1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000772820444 627826523 /nfs/dbraw/zinc/82/65/23/627826523.db2.gz HTFJSJSTLFMVOK-GFCCVEGCSA-N 1 0 293.407 3.006 20 10 CGCDRO COCC1(C)CC[NH+](Cc2cc(C)c(C)cc2O)CC1 ZINC000773273003 627870582 /nfs/dbraw/zinc/87/05/82/627870582.db2.gz VCACWELXQQXGRS-UHFFFAOYSA-N 1 0 277.408 3.258 20 10 CGCDRO CCN(C)c1ccc(C[NH2+][C@]2(C)CCO[C@@H]2C2CC2)cc1 ZINC000773834134 627918841 /nfs/dbraw/zinc/91/88/41/627918841.db2.gz CIOFOYKIWUJCSN-QZTJIDSGSA-N 1 0 288.435 3.190 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCOCC3(CCC3)C2)cc1 ZINC000773843544 627920018 /nfs/dbraw/zinc/92/00/18/627920018.db2.gz CQLDCKUNBAHWMI-UHFFFAOYSA-N 1 0 288.435 3.145 20 10 CGCDRO C[C@H]([NH2+]C[C@@H](O)c1cccc(Cl)c1)c1ccccc1O ZINC000775130460 628066320 /nfs/dbraw/zinc/06/63/20/628066320.db2.gz LOJUEIHRKWBXDK-MEDUHNTESA-N 1 0 291.778 3.430 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C[C@H]2C(C)=CCC[C@@H]2C)c1 ZINC000775306228 628080328 /nfs/dbraw/zinc/08/03/28/628080328.db2.gz UADLHPXOYAHUSU-BBRMVZONSA-N 1 0 275.392 3.483 20 10 CGCDRO COc1cc(C)nc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775364471 628086282 /nfs/dbraw/zinc/08/62/82/628086282.db2.gz RAFFDSVEPOBTOL-CQSZACIVSA-N 1 0 299.418 3.315 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc2c[nH]nc2c1)c1ccc(N(C)C)cc1 ZINC000775365717 628086466 /nfs/dbraw/zinc/08/64/66/628086466.db2.gz WFWRFXFKBZFZSX-CYBMUJFWSA-N 1 0 294.402 3.480 20 10 CGCDRO CO[C@@H]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000775418984 628093364 /nfs/dbraw/zinc/09/33/64/628093364.db2.gz RXMCHJIWMXMUMZ-UKPHBRMFSA-N 1 0 276.424 3.218 20 10 CGCDRO CC[C@H]([NH2+]C1CCN(C)CC1)c1cc(Cl)ccc1O ZINC000775485152 628099035 /nfs/dbraw/zinc/09/90/35/628099035.db2.gz NYXWXIGJNDWGFN-AWEZNQCLSA-N 1 0 282.815 3.181 20 10 CGCDRO CC[C@@H](C)[C@H](O)C[NH2+][C@@H](CC)c1cc(Cl)ccc1O ZINC000775503419 628101925 /nfs/dbraw/zinc/10/19/25/628101925.db2.gz IEYJXUDFPQXONC-RIEGTJTDSA-N 1 0 285.815 3.493 20 10 CGCDRO CC[C@@H]([NH2+]CCC[C@@H](C)CO)c1cc(Cl)ccc1O ZINC000775527375 628104286 /nfs/dbraw/zinc/10/42/86/628104286.db2.gz WOOOIYIKSMYDKQ-BXUZGUMPSA-N 1 0 285.815 3.495 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H]1CCC[C@H]1OC)c1ccccc1O ZINC000775531981 628104338 /nfs/dbraw/zinc/10/43/38/628104338.db2.gz QDHJWNNNZHYVAI-DUVNUKRYSA-N 1 0 263.381 3.248 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](OC)C(F)(F)F)c1ccccc1O ZINC000775538537 628104721 /nfs/dbraw/zinc/10/47/21/628104721.db2.gz WYWSJYVCWMQPGU-CMPLNLGQSA-N 1 0 277.286 3.010 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H]2C(C)(C)C)cc1OC ZINC000775678624 628125013 /nfs/dbraw/zinc/12/50/13/628125013.db2.gz HEBRQXXDRDGEHG-INIZCTEOSA-N 1 0 293.407 3.420 20 10 CGCDRO C[C@@H](Cc1cccc(O)c1)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000776175009 628176788 /nfs/dbraw/zinc/17/67/88/628176788.db2.gz VCTCVXUDRMNVRG-AWEZNQCLSA-N 1 0 284.403 3.179 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+][C@H](C)Cc2ccncc2)c1O ZINC000776222232 628182123 /nfs/dbraw/zinc/18/21/23/628182123.db2.gz JKTDVNCDHIQVES-GFCCVEGCSA-N 1 0 290.794 3.470 20 10 CGCDRO COC[C@H](Cc1ccccc1)[NH2+]Cc1cccc(C)c1O ZINC000776232479 628183299 /nfs/dbraw/zinc/18/32/99/628183299.db2.gz YJWLWIVQLACWJV-KRWDZBQOSA-N 1 0 285.387 3.048 20 10 CGCDRO COc1cccc(O)c1C[NH2+][C@H]1CCO[C@H](CC(C)C)C1 ZINC000776948998 628240737 /nfs/dbraw/zinc/24/07/37/628240737.db2.gz JGOQVBOBFWQFBI-UONOGXRCSA-N 1 0 293.407 3.084 20 10 CGCDRO COc1cccc(C[NH2+][C@@H]2CCO[C@@H](CC(C)C)C2)c1O ZINC000776955188 628240788 /nfs/dbraw/zinc/24/07/88/628240788.db2.gz VAZRWQBYPSDLSK-CABCVRRESA-N 1 0 293.407 3.084 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](OCC3CC3)C2)cc1C ZINC000777554867 628283161 /nfs/dbraw/zinc/28/31/61/628283161.db2.gz KVDOEWLCYNIXQG-KRWDZBQOSA-N 1 0 289.419 3.400 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CC[C@H](C)C2(CCC2)C1 ZINC000779605764 628417777 /nfs/dbraw/zinc/41/77/77/628417777.db2.gz YQUQMYHQEQWXKB-ZDUSSCGKSA-N 1 0 275.392 3.413 20 10 CGCDRO CCc1cccnc1[C@@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000780724002 628511006 /nfs/dbraw/zinc/51/10/06/628511006.db2.gz MBBZGCTUDIUWHT-CYBMUJFWSA-N 1 0 282.387 3.430 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)CCCC3)[C@H](C)[C@@H](C)O1 ZINC000783537715 628723222 /nfs/dbraw/zinc/72/32/22/628723222.db2.gz BZUZGKUUEIKAGT-MGPQQGTHSA-N 1 0 289.419 3.269 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCc3ncsc3C2)cc1C ZINC000783546558 628723778 /nfs/dbraw/zinc/72/37/78/628723778.db2.gz MEDXKBWKSBPRPP-UHFFFAOYSA-N 1 0 274.389 3.024 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2C[C@H](C)CC(C)(C)C2)cc1OC ZINC000784006171 628764874 /nfs/dbraw/zinc/76/48/74/628764874.db2.gz DEGTXKCOFNUYGR-GFCCVEGCSA-N 1 0 293.407 3.277 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CCCCS2)cc1F ZINC000784619113 628825221 /nfs/dbraw/zinc/82/52/21/628825221.db2.gz XXNVYVDFLCTTFP-CYBMUJFWSA-N 1 0 282.428 3.267 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H](C)OC)c1cc(Cl)ccc1O ZINC000785573125 628871896 /nfs/dbraw/zinc/87/18/96/628871896.db2.gz NRIBKEPLQPFBIJ-BXKDBHETSA-N 1 0 257.761 3.121 20 10 CGCDRO CC[C@@H]1CCC[C@H]1[NH2+]Cc1cc(F)cc(C(C)=O)c1O ZINC000787994263 629038484 /nfs/dbraw/zinc/03/84/84/629038484.db2.gz FGXYBHIYTFDXJI-IAQYHMDHSA-N 1 0 279.355 3.402 20 10 CGCDRO CS[C@@H](C)C[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000788668313 629071441 /nfs/dbraw/zinc/07/14/41/629071441.db2.gz AIWHHADNJWFDIX-RYUDHWBXSA-N 1 0 253.411 3.411 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCN2CCC[C@@H]2C)c(O)c1 ZINC000788614635 629069603 /nfs/dbraw/zinc/06/96/03/629069603.db2.gz TUSSIMXFNYRAQD-LSDHHAIUSA-N 1 0 276.424 3.144 20 10 CGCDRO C[C@H](O)CCC[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000789328004 629124615 /nfs/dbraw/zinc/12/46/15/629124615.db2.gz XSQIXALENHIBAD-AWEZNQCLSA-N 1 0 277.408 3.298 20 10 CGCDRO CCn1ccc(C[N@H+](C)Cc2ccc(N(C)C)cc2)c1 ZINC000789482049 629137970 /nfs/dbraw/zinc/13/79/70/629137970.db2.gz YQEHNNWZRZHKSJ-UHFFFAOYSA-N 1 0 271.408 3.206 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@]2(C)CO)cc1F ZINC000789557447 629145194 /nfs/dbraw/zinc/14/51/94/629145194.db2.gz HTXSOAFEJMBZPD-KRWDZBQOSA-N 1 0 294.414 3.019 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2N(C)CCCC2(C)C)cc1C ZINC000790485839 629212963 /nfs/dbraw/zinc/21/29/63/629212963.db2.gz OUGOBJVVFZRNOH-QGZVFWFLSA-N 1 0 290.451 3.219 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CCO[C@@H](C(C)(C)C)C2)c1 ZINC000790930551 629241436 /nfs/dbraw/zinc/24/14/36/629241436.db2.gz FAUJMCMQZOEBKL-MRXNPFEDSA-N 1 0 293.407 3.038 20 10 CGCDRO COc1ccc(C[C@H](C)[NH2+]Cc2cc(C)ccc2O)cc1 ZINC000862476786 629384300 /nfs/dbraw/zinc/38/43/00/629384300.db2.gz YQFYSBISKGLCFW-AWEZNQCLSA-N 1 0 285.387 3.430 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+][C@H](CO)CCC(C)C)c1O ZINC000862480229 629384895 /nfs/dbraw/zinc/38/48/95/629384895.db2.gz ADVXOLZHEHOCTI-AWEZNQCLSA-N 1 0 285.815 3.241 20 10 CGCDRO COC1(C[NH2+]Cc2ccc(N(C)C)cc2)CCC(C)CC1 ZINC000793291133 629440595 /nfs/dbraw/zinc/44/05/95/629440595.db2.gz MQVRQRFYUALWTN-UHFFFAOYSA-N 1 0 290.451 3.438 20 10 CGCDRO COc1ccc(C[NH2+]Cc2ccc(Cl)c(F)c2)c(O)c1 ZINC000793386597 629452761 /nfs/dbraw/zinc/45/27/61/629452761.db2.gz XJEJNYDZUKHNIG-UHFFFAOYSA-N 1 0 295.741 3.483 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CC(C)(C)C[C@H]2C)c(O)c1 ZINC000793389655 629454035 /nfs/dbraw/zinc/45/40/35/629454035.db2.gz LMVLLLZPFMCIPZ-BXUZGUMPSA-N 1 0 263.381 3.315 20 10 CGCDRO CC[C@H]([NH2+]Cc1cccnc1N(C)C)c1ccc(C)cc1O ZINC000794795708 629577326 /nfs/dbraw/zinc/57/73/26/629577326.db2.gz IELONQNIVOSFNG-INIZCTEOSA-N 1 0 299.418 3.403 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)Cc1cnccn1)c1ccc(C)cc1O ZINC000794802049 629579303 /nfs/dbraw/zinc/57/93/03/629579303.db2.gz CEKXZGBJYITTFH-CJNGLKHVSA-N 1 0 285.391 3.163 20 10 CGCDRO CC[C@@H]([NH2+]CCOC1CCC1)c1ccc(C)cc1O ZINC000794812609 629580386 /nfs/dbraw/zinc/58/03/86/629580386.db2.gz MSQAPXJPBVBZDS-OAHLLOKOSA-N 1 0 263.381 3.310 20 10 CGCDRO COc1cc(C)cc(C[NH+]2CCC3(CCC3)CC2)c1O ZINC000795715377 629711637 /nfs/dbraw/zinc/71/16/37/629711637.db2.gz XTBGACGBFLHRDQ-UHFFFAOYSA-N 1 0 275.392 3.475 20 10 CGCDRO CC(C)C[C@@H](O)C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000119761954 629724760 /nfs/dbraw/zinc/72/47/60/629724760.db2.gz OXVJEMFIKBUNBD-GOSISDBHSA-N 1 0 290.451 3.174 20 10 CGCDRO Oc1ccccc1C[NH2+]Cc1ccc2occc2c1 ZINC000796282198 629760127 /nfs/dbraw/zinc/76/01/27/629760127.db2.gz BKQCWSISFOWTTM-UHFFFAOYSA-N 1 0 253.301 3.428 20 10 CGCDRO C1=C(CC[NH2+]Cc2ccc(N3CCOCC3)cc2)CCC1 ZINC000120146226 629877890 /nfs/dbraw/zinc/87/78/90/629877890.db2.gz VIYWIJMPSKGWNG-UHFFFAOYSA-N 1 0 286.419 3.113 20 10 CGCDRO C[C@H]([NH2+]Cc1cnn2ccccc12)c1cc(F)ccc1O ZINC000797057649 629879659 /nfs/dbraw/zinc/87/96/59/629879659.db2.gz OXKAGKAGGVKDDH-NSHDSACASA-N 1 0 285.322 3.030 20 10 CGCDRO CC1=CCC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000797822086 629987507 /nfs/dbraw/zinc/98/75/07/629987507.db2.gz JBENCDSGJFHIOF-UHFFFAOYSA-N 1 0 257.377 3.423 20 10 CGCDRO Cc1cc(Cl)cc(CN(C)CCC[NH+]2CCCC2)c1O ZINC000798958064 630128505 /nfs/dbraw/zinc/12/85/05/630128505.db2.gz LJYDVKMTUATXEL-UHFFFAOYSA-N 1 0 296.842 3.272 20 10 CGCDRO C[C@@H]([NH2+][C@H](CCO)Cc1ccccc1)c1ccccc1O ZINC000799732233 630227610 /nfs/dbraw/zinc/22/76/10/630227610.db2.gz WTWSJBJNHMUCQP-GDBMZVCRSA-N 1 0 285.387 3.037 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](CCO)C2CC2)c1O ZINC000808707124 630296042 /nfs/dbraw/zinc/29/60/42/630296042.db2.gz DWDTXCDGJWESQC-HZMBPMFUSA-N 1 0 283.799 3.166 20 10 CGCDRO CCOc1cccc(C[NH2+]Cc2cccc(F)c2F)c1O ZINC000865677345 630347559 /nfs/dbraw/zinc/34/75/59/630347559.db2.gz WOEUJSSRSHXGLN-UHFFFAOYSA-N 1 0 293.313 3.359 20 10 CGCDRO Cc1cccc(C[NH2+]CCC2C[C@H](C)O[C@@H](C)C2)c1O ZINC000802659471 630403649 /nfs/dbraw/zinc/40/36/49/630403649.db2.gz HDSIUGBLRGDCIJ-KBPBESRZSA-N 1 0 277.408 3.384 20 10 CGCDRO CN1CCCc2cc(C[NH2+][C@@H]3CC[C@H]3C3CC3)ccc21 ZINC000806134744 630546036 /nfs/dbraw/zinc/54/60/36/630546036.db2.gz BNTGOVQQCZGZQX-DLBZAZTESA-N 1 0 270.420 3.347 20 10 CGCDRO COc1cc(C[N@@H+]2CCC[C@@H](C3CC3)C2)c(O)cc1C ZINC000808230570 630631452 /nfs/dbraw/zinc/63/14/52/630631452.db2.gz LBAVCXRRBXQGMH-CQSZACIVSA-N 1 0 275.392 3.331 20 10 CGCDRO CCCCN(C)C[C@H](C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000808455083 630646972 /nfs/dbraw/zinc/64/69/72/630646972.db2.gz VNYCZOUVJMCDLK-AWEZNQCLSA-N 1 0 295.446 3.102 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](O)c2ccco2)c1O ZINC000808674777 630663157 /nfs/dbraw/zinc/66/31/57/630663157.db2.gz YEPOXWHRCQFHAK-GWCFXTLKSA-N 1 0 295.766 3.331 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H]2CCCOC2)c1O ZINC000808678732 630663706 /nfs/dbraw/zinc/66/37/06/630663706.db2.gz WPMVTONZMPSBBV-RYUDHWBXSA-N 1 0 283.799 3.431 20 10 CGCDRO CCN(CC[NH2+][C@H](C)c1cc(Cl)cc(C)c1O)C1CC1 ZINC000808690314 630664638 /nfs/dbraw/zinc/66/46/38/630664638.db2.gz LCSDSTQNPHEPNP-GFCCVEGCSA-N 1 0 296.842 3.489 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@]2(C)CCOC2)c1O ZINC000808696795 630665735 /nfs/dbraw/zinc/66/57/35/630665735.db2.gz WNBGSURWXFLDNY-IAQYHMDHSA-N 1 0 283.799 3.431 20 10 CGCDRO CC[C@@H](CCO)[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808697945 630666445 /nfs/dbraw/zinc/66/64/45/630666445.db2.gz ZTKUILOKPYIYIS-JQWIXIFHSA-N 1 0 271.788 3.166 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](C)C[C@@H](C)O)c1O ZINC000808697741 630666640 /nfs/dbraw/zinc/66/66/40/630666640.db2.gz SOIJZFVEBQNLJY-JLLWLGSASA-N 1 0 285.815 3.412 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCN(C)[C@@H](C)C2)c1O ZINC000808698964 630666671 /nfs/dbraw/zinc/66/66/71/630666671.db2.gz OIOWOEUNNFHURP-OBJOEFQTSA-N 1 0 296.842 3.487 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)[C@@H]2CCCOC2)cc1F ZINC000809692904 630784372 /nfs/dbraw/zinc/78/43/72/630784372.db2.gz JBGBYYOLFOWEGM-OAHLLOKOSA-N 1 0 294.414 3.283 20 10 CGCDRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000809768250 630804130 /nfs/dbraw/zinc/80/41/30/630804130.db2.gz GHDWPZRIXQHBHW-RDJZCZTQSA-N 1 0 288.435 3.286 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)cc1 ZINC000810026968 630830422 /nfs/dbraw/zinc/83/04/22/630830422.db2.gz IHXYRTFNRVLWHS-DLBZAZTESA-N 1 0 288.435 3.142 20 10 CGCDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc3c(c2)CCO3)cc1O ZINC000810215151 630854688 /nfs/dbraw/zinc/85/46/88/630854688.db2.gz RXWGFXDRRIOUAQ-GFCCVEGCSA-N 1 0 299.370 3.187 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](CO)C1CCCC1)c1ccc(N(C)C)cc1 ZINC000810259563 630861476 /nfs/dbraw/zinc/86/14/76/630861476.db2.gz LXDNAMJNCIFTNX-MSOLQXFVSA-N 1 0 290.451 3.344 20 10 CGCDRO Oc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc3c(c1)CCO3)CCC2 ZINC000812718428 631296733 /nfs/dbraw/zinc/29/67/33/631296733.db2.gz KOXGTIODCAOAQF-SFHVURJKSA-N 1 0 295.382 3.494 20 10 CGCDRO COc1ccc(N2CCC([NH2+]CCCCF)CC2)cc1 ZINC000812737275 631299872 /nfs/dbraw/zinc/29/98/72/631299872.db2.gz TXBIIRNHUAVZKS-UHFFFAOYSA-N 1 0 280.387 3.003 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCn2cccc2[C@H]1C ZINC000876531416 634851657 /nfs/dbraw/zinc/85/16/57/634851657.db2.gz FRHVLPMPIAODOM-CYBMUJFWSA-N 1 0 256.349 3.079 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc3c[nH]nc3c2)c1 ZINC000813331812 631410161 /nfs/dbraw/zinc/41/01/61/631410161.db2.gz VNMXEVFHLYDCBF-NSHDSACASA-N 1 0 297.358 3.128 20 10 CGCDRO CCC(CC)(C[NH2+]Cc1cc(C)c(C)cc1O)OC ZINC000813793386 631462654 /nfs/dbraw/zinc/46/26/54/631462654.db2.gz OCGDMTGSASXFAR-UHFFFAOYSA-N 1 0 265.397 3.304 20 10 CGCDRO Cc1cc(C[N@H+](C)Cc2ccco2)ccc1N(C)C ZINC000815010704 631703658 /nfs/dbraw/zinc/70/36/58/631703658.db2.gz NQGGBYPFKIPOLC-UHFFFAOYSA-N 1 0 258.365 3.286 20 10 CGCDRO Cc1cc(C[NH2+][C@](C)(CO)c2ccccc2)ccc1N(C)C ZINC000815041625 631705870 /nfs/dbraw/zinc/70/58/70/631705870.db2.gz LBLFVJJQFZWABI-LJQANCHMSA-N 1 0 298.430 3.058 20 10 CGCDRO Cc1cc(C[NH+]2CCC(n3cccn3)CC2)ccc1N(C)C ZINC000815045615 631706436 /nfs/dbraw/zinc/70/64/36/631706436.db2.gz WFHKDAROYOYZCD-UHFFFAOYSA-N 1 0 298.434 3.095 20 10 CGCDRO Cc1cc(C[N@@H+]2CCSC(C)(C)C2)ccc1N(C)C ZINC000815060173 631709589 /nfs/dbraw/zinc/70/95/89/631709589.db2.gz PUHLHHNBLGRPFG-UHFFFAOYSA-N 1 0 278.465 3.388 20 10 CGCDRO Cc1cc(C[N@@H+](C(C)C)C2CCOCC2)ccc1N(C)C ZINC000815071169 631711440 /nfs/dbraw/zinc/71/14/40/631711440.db2.gz FHLVNYMKQJXJDG-UHFFFAOYSA-N 1 0 290.451 3.450 20 10 CGCDRO Cc1ccccc1[C@@H](CO)[NH2+]Cc1ccc(N(C)C)c(C)c1 ZINC000815086562 631714036 /nfs/dbraw/zinc/71/40/36/631714036.db2.gz MDPLPCLNRRGUSY-GOSISDBHSA-N 1 0 298.430 3.193 20 10 CGCDRO CCN(C)c1ccc(C[N@H+](C)CCCSC)cc1 ZINC000815108544 631719433 /nfs/dbraw/zinc/71/94/33/631719433.db2.gz ZRVKNROBXOUTBC-UHFFFAOYSA-N 1 0 266.454 3.328 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@H]2CCN(C)[C@@H](C)C2)c(O)c1 ZINC000815583740 631800768 /nfs/dbraw/zinc/80/07/68/631800768.db2.gz NIMXLNGWNRWWLK-KKUMJFAQSA-N 1 0 276.424 3.142 20 10 CGCDRO C[N@@H+](Cc1ccc2ccccc2c1O)C[C@@H]1CCCOC1 ZINC000816505132 631995995 /nfs/dbraw/zinc/99/59/95/631995995.db2.gz NUSUVYUTLDGMLG-AWEZNQCLSA-N 1 0 285.387 3.404 20 10 CGCDRO Cc1noc(C)c1C[NH2+]Cc1ccc2ccccc2c1O ZINC000816539700 632005360 /nfs/dbraw/zinc/00/53/60/632005360.db2.gz QJVBTXHXTHXBAI-UHFFFAOYSA-N 1 0 282.343 3.440 20 10 CGCDRO CC[C@@H](C)[C@@](C)(O)C[NH2+]Cc1ccc2ccccc2c1O ZINC000816549204 632008496 /nfs/dbraw/zinc/00/84/96/632008496.db2.gz HPQZIGFPIWOVNZ-ACJLOTCBSA-N 1 0 287.403 3.432 20 10 CGCDRO CCC[C@](C)(O)C[NH2+]Cc1ccc2ccccc2c1O ZINC000816549568 632008732 /nfs/dbraw/zinc/00/87/32/632008732.db2.gz RTDHLOAIWSSEDY-KRWDZBQOSA-N 1 0 273.376 3.186 20 10 CGCDRO CC1(C)C[N@H+](Cc2ccc3ccccc3c2O)CC[C@H]1O ZINC000816586296 632017176 /nfs/dbraw/zinc/01/71/76/632017176.db2.gz FCAFMGDVTIWPSX-MRXNPFEDSA-N 1 0 285.387 3.138 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CC(C)(C)[C@@H]1C(C)C ZINC000816624687 632026434 /nfs/dbraw/zinc/02/64/34/632026434.db2.gz DGRKFQLAMTXJLQ-HNNXBMFYSA-N 1 0 263.381 3.267 20 10 CGCDRO Cc1cccc(CNc2cc3c(c[nH+]2)CCC3)c1O ZINC000816660388 632039481 /nfs/dbraw/zinc/03/94/81/632039481.db2.gz BOZHYJIMDYDIBI-UHFFFAOYSA-N 1 0 254.333 3.196 20 10 CGCDRO CC(C)[C@]1(CO)CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000816662783 632040433 /nfs/dbraw/zinc/04/04/33/632040433.db2.gz YHTDVWDTBAJEAF-MRXNPFEDSA-N 1 0 297.826 3.276 20 10 CGCDRO OC[C@H]1CCC[N@H+](Cc2ccc3ccccc3c2O)CC1 ZINC000816665611 632040598 /nfs/dbraw/zinc/04/05/98/632040598.db2.gz OMLSZXFMVGOWBA-AWEZNQCLSA-N 1 0 285.387 3.140 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCOC[C@@H]2CC2CCC2)c1 ZINC000816667431 632041257 /nfs/dbraw/zinc/04/12/57/632041257.db2.gz NFISVMUISLKRPL-INIZCTEOSA-N 1 0 275.392 3.092 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCOC[C@H]2CC2CCC2)c1O ZINC000816667289 632041854 /nfs/dbraw/zinc/04/18/54/632041854.db2.gz IUCOWQVXGAFJRK-MRXNPFEDSA-N 1 0 275.392 3.092 20 10 CGCDRO CC[C@@H]1C[NH+](Cc2cc(OC)c(C)cc2O)C[C@@H](CC)O1 ZINC000817366085 632133691 /nfs/dbraw/zinc/13/36/91/632133691.db2.gz UAYJQAGAVPHNSB-HUUCEWRRSA-N 1 0 293.407 3.099 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]CCCC2(O)CCC2)c2c1c(F)ccc2O ZINC000817585184 632190984 /nfs/dbraw/zinc/19/09/84/632190984.db2.gz CCCPONMRYAHCGS-DGCLKSJQSA-N 1 0 293.382 3.364 20 10 CGCDRO CN(C)c1ccc(CN[C@H]2C[C@H]([NH3+])c3ccccc32)cc1F ZINC000817900588 632231711 /nfs/dbraw/zinc/23/17/11/632231711.db2.gz OCRMDSFQMSMUDW-IRXDYDNUSA-N 1 0 299.393 3.126 20 10 CGCDRO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000817941496 632240560 /nfs/dbraw/zinc/24/05/60/632240560.db2.gz KCSSIZRMTDLHOW-XOKHGSTOSA-N 1 0 289.467 3.167 20 10 CGCDRO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000817941494 632240648 /nfs/dbraw/zinc/24/06/48/632240648.db2.gz KCSSIZRMTDLHOW-KBRIMQKVSA-N 1 0 289.467 3.167 20 10 CGCDRO CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000817943341 632241687 /nfs/dbraw/zinc/24/16/87/632241687.db2.gz UOQDAEARPDPENY-FHLIZLRMSA-N 1 0 289.467 3.311 20 10 CGCDRO CC[C@@H]([NH2+]CCC[NH2+]C(C)C)c1cccc(Cl)c1[O-] ZINC000817953721 632249116 /nfs/dbraw/zinc/24/91/16/632249116.db2.gz PPOGVCBHQHQDQM-CQSZACIVSA-N 1 0 284.831 3.474 20 10 CGCDRO C[C@@H](NCC[NH2+]C1CC1)c1ccc(N2CCCCC2)cc1 ZINC000817953748 632249187 /nfs/dbraw/zinc/24/91/87/632249187.db2.gz QFLGUIMLLUFBAD-OAHLLOKOSA-N 1 0 287.451 3.080 20 10 CGCDRO Cc1cccc([C@@H](C)[NH2+]CCc2ccc(N)cc2)c1 ZINC000817956075 632251177 /nfs/dbraw/zinc/25/11/77/632251177.db2.gz PWRIAGGFPOWSIZ-CQSZACIVSA-N 1 0 254.377 3.471 20 10 CGCDRO COc1cc(C)ccc1[C@H](C)[NH2+]CCc1ccc(N)cc1 ZINC000817955917 632251270 /nfs/dbraw/zinc/25/12/70/632251270.db2.gz LHUGVWJFTZLJSC-AWEZNQCLSA-N 1 0 284.403 3.479 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H](CN)CC(C)C)cc1 ZINC000817958151 632253041 /nfs/dbraw/zinc/25/30/41/632253041.db2.gz IKKJUZXBCMABOP-HOCLYGCPSA-N 1 0 277.456 3.167 20 10 CGCDRO CO[C@H](c1ccccc1)[C@H](C)[NH2+]CCc1ccc(N)cc1 ZINC000817958217 632253127 /nfs/dbraw/zinc/25/31/27/632253127.db2.gz TXIAAZAZBGDBDO-KSSFIOAISA-N 1 0 284.403 3.177 20 10 CGCDRO C[C@H]([NH2+][C@H](CN)C1CCCCC1)c1ccc(N(C)C)cc1 ZINC000817960386 632255742 /nfs/dbraw/zinc/25/57/42/632255742.db2.gz YNFFQTSUISPVLU-KBXCAEBGSA-N 1 0 289.467 3.311 20 10 CGCDRO C[C@@H](NCC[NH2+]C1CCCCCC1)c1cc(F)ccc1O ZINC000817961001 632256407 /nfs/dbraw/zinc/25/64/07/632256407.db2.gz WCMIXXSMRSGIJA-CYBMUJFWSA-N 1 0 294.414 3.494 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](CN)C2CCCCC2)c(O)c1 ZINC000817960021 632256614 /nfs/dbraw/zinc/25/66/14/632256614.db2.gz WOPJBONIIOAMSI-CJNGLKHVSA-N 1 0 276.424 3.259 20 10 CGCDRO C[C@@H](NC[C@H](C)[NH3+])c1ccc(N2CCCCCC2)cc1 ZINC000817970587 632265095 /nfs/dbraw/zinc/26/50/95/632265095.db2.gz ALDRPJQIYRDMNE-LSDHHAIUSA-N 1 0 275.440 3.065 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1cccc(Cl)c1[O-] ZINC000817984713 632273906 /nfs/dbraw/zinc/27/39/06/632273906.db2.gz XRWZIAZAAPFUGR-BXUZGUMPSA-N 1 0 282.815 3.228 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(F)cc1[O-] ZINC000817986863 632275694 /nfs/dbraw/zinc/27/56/94/632275694.db2.gz VAHVFFJBCYIZCK-UKRRQHHQSA-N 1 0 292.398 3.247 20 10 CGCDRO COc1ccc(O)c(C[NH2+]Cc2c(F)cc(C)cc2F)c1 ZINC000818186847 632295149 /nfs/dbraw/zinc/29/51/49/632295149.db2.gz NDRZJNHWJXULTL-UHFFFAOYSA-N 1 0 293.313 3.277 20 10 CGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CC[C@H](C)C3)C2)cc1 ZINC000818219217 632298424 /nfs/dbraw/zinc/29/84/24/632298424.db2.gz ANVYHBXWACSFAR-ARFHVFGLSA-N 1 0 288.435 3.300 20 10 CGCDRO CC[C@H](C)C[NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818220993 632298900 /nfs/dbraw/zinc/29/89/00/632298900.db2.gz KGVCAXZWRMZINH-GJZGRUSLSA-N 1 0 276.424 3.157 20 10 CGCDRO Oc1ccccc1C[NH2+][C@@H]1C[C@@]1(F)c1ccccc1 ZINC000818229875 632300236 /nfs/dbraw/zinc/30/02/36/632300236.db2.gz GBBWKLVNTFADBU-HZPDHXFCSA-N 1 0 257.308 3.119 20 10 CGCDRO Oc1ccccc1C[NH2+][C@@H]1C[C@]1(F)c1ccccc1 ZINC000818229873 632300541 /nfs/dbraw/zinc/30/05/41/632300541.db2.gz GBBWKLVNTFADBU-CVEARBPZSA-N 1 0 257.308 3.119 20 10 CGCDRO CCC[C@@H](C)[NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818345566 632312221 /nfs/dbraw/zinc/31/22/21/632312221.db2.gz WNEAIBIOAAJQKO-HUUCEWRRSA-N 1 0 276.424 3.300 20 10 CGCDRO C[C@H](c1ccccc1)[C@H](O)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000818941655 632354647 /nfs/dbraw/zinc/35/46/47/632354647.db2.gz NASQMWMXYUPRIG-DNVCBOLYSA-N 1 0 298.430 3.007 20 10 CGCDRO CC(C)CC[C@@H](O)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000818953932 632356566 /nfs/dbraw/zinc/35/65/66/632356566.db2.gz OWDZEIRPNSGJLJ-GOSISDBHSA-N 1 0 290.451 3.174 20 10 CGCDRO Cc1nsc(C)c1C[N@@H+](C)Cc1ccccc1O ZINC000821390500 632763261 /nfs/dbraw/zinc/76/32/61/632763261.db2.gz BFQCHVCVIULIPX-UHFFFAOYSA-N 1 0 262.378 3.098 20 10 CGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H](OC)C1CC1 ZINC000822653821 632999172 /nfs/dbraw/zinc/99/91/72/632999172.db2.gz CIWDPJOWNGAMBD-MRXNPFEDSA-N 1 0 263.381 3.029 20 10 CGCDRO COc1cc(C)ccc1C[N@H+](C)Cc1ccccc1O ZINC000823409307 633101091 /nfs/dbraw/zinc/10/10/91/633101091.db2.gz XPDVUGHUEFUHIF-UHFFFAOYSA-N 1 0 271.360 3.341 20 10 CGCDRO C[C@H]([NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23)c1ccc(Cl)cc1O ZINC000866446915 633137122 /nfs/dbraw/zinc/13/71/22/633137122.db2.gz VJLSATWGGMORIT-RFEWNFQQSA-N 1 0 293.794 3.120 20 10 CGCDRO C[C@H]([NH2+][C@@H](C)[C@@H](O)C(F)(F)F)c1cc(Cl)ccc1O ZINC000866462893 633145241 /nfs/dbraw/zinc/14/52/41/633145241.db2.gz CLAUNCMGXDWZTA-OKTBNZSVSA-N 1 0 297.704 3.008 20 10 CGCDRO C[C@H]([NH2+][C@H](C1CCC1)[C@H]1CCOC1)c1cc(F)ccc1O ZINC000866513626 633169570 /nfs/dbraw/zinc/16/95/70/633169570.db2.gz WYOLQGYOXQZTCS-PLQHRBFRSA-N 1 0 293.382 3.387 20 10 CGCDRO C[C@H]([NH2+]Cc1ccncc1F)c1ccc(N(C)C)cc1 ZINC000824195409 633211053 /nfs/dbraw/zinc/21/10/53/633211053.db2.gz DJJFCWIZQOZQSC-LBPRGKRZSA-N 1 0 273.355 3.138 20 10 CGCDRO COc1cccc(O)c1C[N@H+](C)CCc1ccccc1C ZINC000824554437 633258869 /nfs/dbraw/zinc/25/88/69/633258869.db2.gz GHFANQVUUUPPMD-UHFFFAOYSA-N 1 0 285.387 3.384 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@](C)(COC)C2)cc1 ZINC000824576567 633260687 /nfs/dbraw/zinc/26/06/87/633260687.db2.gz PBKQYVHAJHACPM-GOSISDBHSA-N 1 0 290.451 3.391 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)cc1C ZINC000824714411 633278448 /nfs/dbraw/zinc/27/84/48/633278448.db2.gz DMPNJISXVKJBKF-BRWVUGGUSA-N 1 0 289.419 3.134 20 10 CGCDRO CC[C@](C)(C[NH2+]Cc1cc(Cl)cc(C)c1O)OC ZINC000824743600 633281506 /nfs/dbraw/zinc/28/15/06/633281506.db2.gz IAMWZBGYLPIAMO-CQSZACIVSA-N 1 0 271.788 3.259 20 10 CGCDRO CO[C@@](C)(C[NH2+]Cc1cccc(C)c1O)c1ccccc1 ZINC000824780394 633287172 /nfs/dbraw/zinc/28/71/72/633287172.db2.gz NCHCQHWGMPWWOZ-SFHVURJKSA-N 1 0 285.387 3.352 20 10 CGCDRO CO[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2O)C[C@@H]1C ZINC000824820937 633295764 /nfs/dbraw/zinc/29/57/64/633295764.db2.gz RCRBGGUYUOLQQJ-SUMWQHHRSA-N 1 0 285.387 3.402 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccccn2)c(O)c1 ZINC000876585534 634862515 /nfs/dbraw/zinc/86/25/15/634862515.db2.gz NKDDZMZWGABBJA-INIZCTEOSA-N 1 0 268.360 3.433 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCOCC(F)(F)F)cc1Cl ZINC000825077765 633326232 /nfs/dbraw/zinc/32/62/32/633326232.db2.gz HVJNEKLGZYGMIL-UHFFFAOYSA-N 1 0 297.704 3.023 20 10 CGCDRO COCC1(C[NH2+]Cc2c(O)cccc2Cl)CCCC1 ZINC000825245851 633338763 /nfs/dbraw/zinc/33/87/63/633338763.db2.gz SPLQITILTOURAG-UHFFFAOYSA-N 1 0 283.799 3.342 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C2C[C@@H](C)O[C@H](C)C2)cc1Cl ZINC000825396655 633352207 /nfs/dbraw/zinc/35/22/07/633352207.db2.gz WFACXFVGCOCUSU-GHMZBOCLSA-N 1 0 283.799 3.400 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2COC(C)(C)C2)cc1Cl ZINC000826797541 633433380 /nfs/dbraw/zinc/43/33/80/633433380.db2.gz VQYXDWPLFLJAFD-NSHDSACASA-N 1 0 269.772 3.011 20 10 CGCDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc3ccccc3c2O)C1 ZINC000827005629 633448243 /nfs/dbraw/zinc/44/82/43/633448243.db2.gz GSUKIWVVNIUKRZ-SHTZXODSSA-N 1 0 271.360 3.203 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1C[C@H](O)c2ccccc21 ZINC000827172358 633467318 /nfs/dbraw/zinc/46/73/18/633467318.db2.gz RIUAJKJLFUZWFI-OALUTQOASA-N 1 0 296.414 3.329 20 10 CGCDRO Cc1cccc(C[NH2+]CC[C@@]2(C)CC2(F)F)c1O ZINC000827250941 633475067 /nfs/dbraw/zinc/47/50/67/633475067.db2.gz CJUWVVUTTCIXGL-ZDUSSCGKSA-N 1 0 255.308 3.226 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)Cc2cccnc2N)cc1 ZINC000827336531 633484171 /nfs/dbraw/zinc/48/41/71/633484171.db2.gz IBPQGKGMGVUJDG-UHFFFAOYSA-N 1 0 298.434 3.142 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H]([C@H]3CCCCO3)C2)c1 ZINC000827377477 633487200 /nfs/dbraw/zinc/48/72/00/633487200.db2.gz ZCUYHKJFTINDGH-MAUKXSAKSA-N 1 0 289.419 3.482 20 10 CGCDRO Cc1cc(Br)cc(C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)c1O ZINC000827488276 633494278 /nfs/dbraw/zinc/49/42/78/633494278.db2.gz FQAUACGKPNPRJS-ITGUQSILSA-N 1 0 296.208 3.351 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@H]2C(C)(C)C2(F)F)c1O ZINC000827511730 633495334 /nfs/dbraw/zinc/49/53/34/633495334.db2.gz YLIBWTLDCZFZGM-LBPRGKRZSA-N 1 0 269.335 3.336 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C[C@H](C)O1 ZINC000830161225 633834181 /nfs/dbraw/zinc/83/41/81/633834181.db2.gz NXKSWUQMJRFUAF-QLPKVWCKSA-N 1 0 288.435 3.332 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cccc(O)c1F ZINC000872017538 633938891 /nfs/dbraw/zinc/93/88/91/633938891.db2.gz BNFJMKOJWGMMSQ-GFCCVEGCSA-N 1 0 288.366 3.448 20 10 CGCDRO CCC[C@H](C)[C@@H](CO)[NH2+][C@H](C)c1cc(C)ccc1O ZINC000846182839 636154624 /nfs/dbraw/zinc/15/46/24/636154624.db2.gz DWHWQYXRYPJAIL-GZBFAFLISA-N 1 0 265.397 3.148 20 10 CGCDRO Cc1cc(C[N@@H+]2CCC[C@]3(CCOC3)C2)ccc1N(C)C ZINC000832347791 634051939 /nfs/dbraw/zinc/05/19/39/634051939.db2.gz CMAPVURYYFIXOA-SFHVURJKSA-N 1 0 288.435 3.064 20 10 CGCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H]3CSC[C@H]3C1)CCC2 ZINC000872722110 634196383 /nfs/dbraw/zinc/19/63/83/634196383.db2.gz NRRWUJPOLHFDRJ-GDBMZVCRSA-N 1 0 289.444 3.066 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]C[C@@H]1OCCc3ccccc31)CC2 ZINC000834645276 634207561 /nfs/dbraw/zinc/20/75/61/634207561.db2.gz AFEUNSBXYLVFBF-AEFFLSMTSA-N 1 0 295.382 3.283 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@H](C)Cn2ccnc2)cc1C ZINC000873013216 634231238 /nfs/dbraw/zinc/23/12/38/634231238.db2.gz WUISYHOOQFTMCS-OAHLLOKOSA-N 1 0 287.407 3.159 20 10 CGCDRO CCCOc1ccc(C[NH2+]Cc2cnn(CC)c2)cc1C ZINC000873054638 634238141 /nfs/dbraw/zinc/23/81/41/634238141.db2.gz RCXXYRJUQDMJHI-UHFFFAOYSA-N 1 0 287.407 3.290 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]CCC[C@@H]1CCCCO1)CC2 ZINC000834766764 634238192 /nfs/dbraw/zinc/23/81/92/634238192.db2.gz YETUXPBHYHGIOD-LSDHHAIUSA-N 1 0 275.392 3.318 20 10 CGCDRO CCCOc1ccc(C[NH2+]C[C@H](C)C[C@H](C)O)cc1C ZINC000873058234 634239091 /nfs/dbraw/zinc/23/90/91/634239091.db2.gz DKNRQZLYUUUROB-HIFRSBDPSA-N 1 0 279.424 3.280 20 10 CGCDRO CCC1([NH2+]Cc2ccc(OC)c(Cn3cccn3)c2)CCC1 ZINC000873069042 634240734 /nfs/dbraw/zinc/24/07/34/634240734.db2.gz FXYZSTNNFNMPEB-UHFFFAOYSA-N 1 0 299.418 3.362 20 10 CGCDRO CCCOc1ccc(C[NH2+]CCc2cnc(C)cn2)cc1C ZINC000873130792 634252628 /nfs/dbraw/zinc/25/26/28/634252628.db2.gz LBRVLAOAMRARSX-UHFFFAOYSA-N 1 0 299.418 3.215 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(OC)c(Cn2cccn2)c1)C1CC1 ZINC000873137989 634256327 /nfs/dbraw/zinc/25/63/27/634256327.db2.gz MAIDOFLKMLEFNP-KRWDZBQOSA-N 1 0 299.418 3.218 20 10 CGCDRO C[C@H](CCCCO)[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000834877108 634263903 /nfs/dbraw/zinc/26/39/03/634263903.db2.gz FYOTVAGVNOWVHR-DMDPSCGWSA-N 1 0 281.371 3.220 20 10 CGCDRO Cc1nccnc1[C@H](C)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000873187227 634276034 /nfs/dbraw/zinc/27/60/34/634276034.db2.gz OFCPFHMQUIFTBO-GXMNPTEKSA-N 1 0 296.418 3.215 20 10 CGCDRO CC[C@H]([NH2+][C@H]1COCC1(C)C)c1ccc(N(C)C)cc1 ZINC000834903530 634280157 /nfs/dbraw/zinc/28/01/57/634280157.db2.gz JUGDPDWGHZPGPO-HOTGVXAUSA-N 1 0 276.424 3.218 20 10 CGCDRO COc1cccnc1C[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000834907183 634283285 /nfs/dbraw/zinc/28/32/85/634283285.db2.gz YANYURJNPLSOAE-ZDUSSCGKSA-N 1 0 286.375 3.263 20 10 CGCDRO C[C@@H]([NH2+][C@H]1C[C@@H](O)C1)c1ccc(N2CCCCCC2)cc1 ZINC000834907574 634283338 /nfs/dbraw/zinc/28/33/38/634283338.db2.gz WVMMIRZAGTVFRI-KYJSFNMBSA-N 1 0 288.435 3.241 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1CCOC(C)(C)C1)c1cc(F)ccc1O ZINC000834912931 634285619 /nfs/dbraw/zinc/28/56/19/634285619.db2.gz YGXJLWDCOCJYNC-NWDGAFQWSA-N 1 0 281.371 3.387 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1cc(F)cc(F)c1[O-] ZINC000873241863 634297791 /nfs/dbraw/zinc/29/77/91/634297791.db2.gz GUUWKADNPWJCRB-ZYHUDNBSSA-N 1 0 298.377 3.099 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2Cc3ccccc3CN2)c(O)c1 ZINC000873292785 634322452 /nfs/dbraw/zinc/32/24/52/634322452.db2.gz DPMXKVYDFBOUSS-YOEHRIQHSA-N 1 0 296.414 3.066 20 10 CGCDRO CN(C)c1ccc(C=CC[NH2+][C@H]2CCCc3cn[nH]c32)cc1 ZINC000835043091 634330735 /nfs/dbraw/zinc/33/07/35/634330735.db2.gz MVCBOZQIUOLJPF-BDUNBXCCSA-N 1 0 296.418 3.156 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+]CCC(F)(F)F)cc1 ZINC000835044278 634331555 /nfs/dbraw/zinc/33/15/55/634331555.db2.gz YVFHJWMDMAQKPK-ONEGZZNKSA-N 1 0 272.314 3.308 20 10 CGCDRO CS[C@H]1CC[N@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835053908 634338507 /nfs/dbraw/zinc/33/85/07/634338507.db2.gz FWZMIZYOIKEIDV-AWFCHZOYSA-N 1 0 276.449 3.203 20 10 CGCDRO CO[C@@](C)(C[NH2+]C/C=C/c1ccc(N(C)C)cc1)C1CC1 ZINC000835055767 634339149 /nfs/dbraw/zinc/33/91/49/634339149.db2.gz OKACCJBLOUSXMC-QWNKOJSDSA-N 1 0 288.435 3.171 20 10 CGCDRO CC(C)N(C)C[C@@H](C)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835055882 634339300 /nfs/dbraw/zinc/33/93/00/634339300.db2.gz OWVHYRGUTPXVRP-XITLMJRVSA-N 1 0 289.467 3.084 20 10 CGCDRO Cc1cccc(C[N@@H+](Cc2cnn(C)c2)CC(C)C)c1O ZINC000835078055 634346471 /nfs/dbraw/zinc/34/64/71/634346471.db2.gz ZNMUFCQAFDXGCR-UHFFFAOYSA-N 1 0 287.407 3.092 20 10 CGCDRO Cc1cc([C@H]2CCC[N@@H+]2Cc2ccc(C)cc2O)no1 ZINC000876591343 634863491 /nfs/dbraw/zinc/86/34/91/634863491.db2.gz HHJGKDPUCFEOHC-OAHLLOKOSA-N 1 0 272.348 3.334 20 10 CGCDRO C[N@@H+](Cc1ccccc1O)C[C@H]1CCN(c2ccccc2)C1 ZINC000876616369 634869055 /nfs/dbraw/zinc/86/90/55/634869055.db2.gz XQLGKGRAJDEFHB-MRXNPFEDSA-N 1 0 296.414 3.351 20 10 CGCDRO C[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)CC(C)(C)C ZINC000876626116 634871254 /nfs/dbraw/zinc/87/12/54/634871254.db2.gz OURHUCWBPONTNZ-UHFFFAOYSA-N 1 0 290.451 3.126 20 10 CGCDRO COc1ccccc1CC[NH2+]Cc1ccc(C)cc1O ZINC000876894824 634923510 /nfs/dbraw/zinc/92/35/10/634923510.db2.gz XNGVXMLCQUBCOV-UHFFFAOYSA-N 1 0 271.360 3.042 20 10 CGCDRO COc1ccc(C)cc1C[NH2+]Cc1c(C)cccc1O ZINC000876910964 634927417 /nfs/dbraw/zinc/92/74/17/634927417.db2.gz QXSRELPDEOWYPT-UHFFFAOYSA-N 1 0 271.360 3.307 20 10 CGCDRO Cc1ccc(C[NH2+][C@H]2CCCc3occc32)c(O)c1 ZINC000876928905 634929678 /nfs/dbraw/zinc/92/96/78/634929678.db2.gz CZGMORSQYDRRDZ-AWEZNQCLSA-N 1 0 257.333 3.461 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000876963265 634939038 /nfs/dbraw/zinc/93/90/38/634939038.db2.gz JCDAFFXYIKWQJL-UHFFFAOYSA-N 1 0 296.414 3.459 20 10 CGCDRO COc1ccc(C2([NH2+]Cc3ccc(C)cc3O)CC2)cc1 ZINC000877007944 634949219 /nfs/dbraw/zinc/94/92/19/634949219.db2.gz ILMDSPJZDCKVBZ-UHFFFAOYSA-N 1 0 283.371 3.488 20 10 CGCDRO Cc1ccc(C[NH2+]C2(c3ccc4c(c3)OCO4)CC2)c(O)c1 ZINC000877098288 634984827 /nfs/dbraw/zinc/98/48/27/634984827.db2.gz OHIUIUINWUTPPN-UHFFFAOYSA-N 1 0 297.354 3.208 20 10 CGCDRO Cc1ccc(C[NH2+]CC2([C@@H](O)c3ccccc3)CC2)c(O)c1 ZINC000877112924 634986938 /nfs/dbraw/zinc/98/69/38/634986938.db2.gz VHZGYQVCQUGPHB-SFHVURJKSA-N 1 0 297.398 3.304 20 10 CGCDRO Cc1ccc(C[NH2+][C@H](C)C[C@@H](O)c2ccccc2)c(O)c1 ZINC000877127292 634992713 /nfs/dbraw/zinc/99/27/13/634992713.db2.gz DBPVBSMNUZTGLK-RDTXWAMCSA-N 1 0 285.387 3.302 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]CCCCC(=O)OC(C)(C)C ZINC000877133645 634996517 /nfs/dbraw/zinc/99/65/17/634996517.db2.gz FSBWJARUHXYKDB-UHFFFAOYSA-N 1 0 293.407 3.302 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+](C)C[C@@H](C)c1nccs1 ZINC000877316438 635024561 /nfs/dbraw/zinc/02/45/61/635024561.db2.gz ZSIKNDHSWYAYHG-GFCCVEGCSA-N 1 0 276.405 3.393 20 10 CGCDRO CCCN(Cc1cccc(F)c1N)c1ccc(C[NH3+])cc1 ZINC000877479185 635052498 /nfs/dbraw/zinc/05/24/98/635052498.db2.gz UCBNAQKRMGJAHH-UHFFFAOYSA-N 1 0 287.382 3.283 20 10 CGCDRO CSC1(C[NH2+]Cc2c(C)cccc2O)CCC1 ZINC000877484454 635054629 /nfs/dbraw/zinc/05/46/29/635054629.db2.gz GSTIJHWKLLYIRW-UHFFFAOYSA-N 1 0 251.395 3.076 20 10 CGCDRO COc1ccc(C[NH2+]Cc2ccc(C(F)F)nc2)c(O)c1 ZINC000877494515 635058996 /nfs/dbraw/zinc/05/89/96/635058996.db2.gz XSKGIVQSESXNGS-UHFFFAOYSA-N 1 0 294.301 3.023 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCCC[C@H]2c2cc[nH]n2)c(O)c1 ZINC000877515723 635067687 /nfs/dbraw/zinc/06/76/87/635067687.db2.gz NSJANOKWSHAAGH-HNNXBMFYSA-N 1 0 271.364 3.151 20 10 CGCDRO Cc1ccc(C[N@H+]2CCCCC[C@@H]2C[C@@H](C)O)c(O)c1 ZINC000877517342 635067734 /nfs/dbraw/zinc/06/77/34/635067734.db2.gz NGBYVTOKWDTZST-GDBMZVCRSA-N 1 0 277.408 3.216 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2C[C@H](C)O[C@H]2C)c(O)c1 ZINC000840870963 635069400 /nfs/dbraw/zinc/06/94/00/635069400.db2.gz BAHGCJQGENJWBM-AJNGGQMLSA-N 1 0 277.408 3.473 20 10 CGCDRO Cc1nc(CC[NH2+]Cc2c(O)cc(C)cc2Cl)cs1 ZINC000840876802 635071192 /nfs/dbraw/zinc/07/11/92/635071192.db2.gz ZJOUNYDXGLPXNJ-UHFFFAOYSA-N 1 0 296.823 3.451 20 10 CGCDRO COCC1CCC([NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000840875698 635071561 /nfs/dbraw/zinc/07/15/61/635071561.db2.gz IZOUQABIPYGWRX-ZALBZXLWSA-N 1 0 275.392 3.174 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)c1cc(C)ccc1O)[C@H](O)C(C)C ZINC000840883079 635073291 /nfs/dbraw/zinc/07/32/91/635073291.db2.gz RSLCYJVRPYLRBC-IVMMDQJWSA-N 1 0 265.397 3.147 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCC23CCC3)c1 ZINC000877533506 635076106 /nfs/dbraw/zinc/07/61/06/635076106.db2.gz PKJMLAYNVKCVAZ-IAQYHMDHSA-N 1 0 261.365 3.384 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H]1CCOC[C@H]1C ZINC000840893842 635077026 /nfs/dbraw/zinc/07/70/26/635077026.db2.gz MVKICGSENQEXJD-RVKKMQEKSA-N 1 0 290.451 3.007 20 10 CGCDRO COCCC[C@@H](C)[NH2+][C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000840893955 635077161 /nfs/dbraw/zinc/07/71/61/635077161.db2.gz NSRLSZJOOGIXPR-CVEARBPZSA-N 1 0 292.467 3.397 20 10 CGCDRO COCC[C@H](C)[NH2+][C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000840892600 635077486 /nfs/dbraw/zinc/07/74/86/635077486.db2.gz BOFZHNGYRYMXTG-GJZGRUSLSA-N 1 0 278.440 3.007 20 10 CGCDRO CC[C@H](C)[C@@](C)(O)C[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840898608 635078197 /nfs/dbraw/zinc/07/81/97/635078197.db2.gz YWUHKVKAPFZKEO-NHYWBVRUSA-N 1 0 285.815 3.241 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)Cc2ccc(C)nn2)cc1 ZINC000840909988 635080438 /nfs/dbraw/zinc/08/04/38/635080438.db2.gz ODIUWQZHRMVRNF-UHFFFAOYSA-N 1 0 298.434 3.263 20 10 CGCDRO Cc1cc(O)c(CN(C)[C@H]2CC[N@@H+](C3CC3)C2)c(Cl)c1 ZINC000840914144 635081141 /nfs/dbraw/zinc/08/11/41/635081141.db2.gz PRTDTSVEBDFUBA-ZDUSSCGKSA-N 1 0 294.826 3.023 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)c(Cl)c1 ZINC000840916227 635081384 /nfs/dbraw/zinc/08/13/84/635081384.db2.gz HXUGPPRGWJMQBT-OLZOCXBDSA-N 1 0 295.810 3.212 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H](O)c1ccccc1C ZINC000840934513 635084661 /nfs/dbraw/zinc/08/46/61/635084661.db2.gz RDQARUSNYQMLMV-IBGZPJMESA-N 1 0 298.430 3.193 20 10 CGCDRO Cc1ccc(CC[NH2+]Cc2ccc(N(C)C)cc2C)cn1 ZINC000840934773 635084696 /nfs/dbraw/zinc/08/46/96/635084696.db2.gz XHUXHFWVEUFIDD-UHFFFAOYSA-N 1 0 283.419 3.097 20 10 CGCDRO CS[C@H]1CC[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840936841 635085575 /nfs/dbraw/zinc/08/55/75/635085575.db2.gz GVYKTAIRJNLEKC-GJZGRUSLSA-N 1 0 264.438 3.045 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H]1CCCS1 ZINC000840938495 635085866 /nfs/dbraw/zinc/08/58/66/635085866.db2.gz NDFFTSHVNUTCEI-OAHLLOKOSA-N 1 0 264.438 3.046 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCS[C@H](C)CC1 ZINC000840941532 635088182 /nfs/dbraw/zinc/08/81/82/635088182.db2.gz BICRTWOHNARQKQ-CQSZACIVSA-N 1 0 278.465 3.388 20 10 CGCDRO CCC(O)(CC)CC[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840942160 635088724 /nfs/dbraw/zinc/08/87/24/635088724.db2.gz UJRFGKLQOULAAU-UHFFFAOYSA-N 1 0 278.440 3.092 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2Cc3ccccc3[C@@H]2OC)cc1C ZINC000840956269 635092924 /nfs/dbraw/zinc/09/29/24/635092924.db2.gz OAVPUMXKPXQWGC-MJGOQNOKSA-N 1 0 297.398 3.406 20 10 CGCDRO Cc1cccnc1CCC[NH2+]Cc1c(C)cccc1O ZINC000877565207 635093207 /nfs/dbraw/zinc/09/32/07/635093207.db2.gz CSLNAGWBNFYWNC-UHFFFAOYSA-N 1 0 270.376 3.126 20 10 CGCDRO CC(C)(C)c1ccncc1C[NH2+]Cc1ccccc1O ZINC000840958554 635093486 /nfs/dbraw/zinc/09/34/86/635093486.db2.gz LFNSOTSAHQFRDU-UHFFFAOYSA-N 1 0 270.376 3.375 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+][C@@H]2CS[C@H](C)C2)c1O ZINC000840959704 635094116 /nfs/dbraw/zinc/09/41/16/635094116.db2.gz YJHLLQBCZAMVBD-SKDRFNHKSA-N 1 0 271.813 3.338 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc2ccccc2c1O)[C@H](O)C(C)C ZINC000840968206 635096046 /nfs/dbraw/zinc/09/60/46/635096046.db2.gz OSDYYRFLQJZDJG-IAGOWNOFSA-N 1 0 287.403 3.431 20 10 CGCDRO CC[C@H]([NH2+]Cc1cc(Cl)cc(C)c1O)[C@@H](O)C(C)C ZINC000840967905 635096244 /nfs/dbraw/zinc/09/62/44/635096244.db2.gz KWPARNFFYWKYHG-KBPBESRZSA-N 1 0 285.815 3.239 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CC(C)(C)C[C@@H]2C)c1O ZINC000840970215 635097302 /nfs/dbraw/zinc/09/73/02/635097302.db2.gz RLDBZTNKHCUEDE-LBPRGKRZSA-N 1 0 263.381 3.411 20 10 CGCDRO Cc1ccc(C[NH2+]C[C@@H]2CC23CCSCC3)c(O)c1 ZINC000877595326 635105698 /nfs/dbraw/zinc/10/56/98/635105698.db2.gz YFEOYHMOBXCSIT-AWEZNQCLSA-N 1 0 277.433 3.324 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@H](N)c2ccccc2)cc1 ZINC000841037455 635111416 /nfs/dbraw/zinc/11/14/16/635111416.db2.gz QOUGWZPIQHWKHM-IBGZPJMESA-N 1 0 297.446 3.322 20 10 CGCDRO C[C@H]1CC([NH2+]C[C@H](N)c2ccc(N(C)C)cc2)C[C@H](C)C1 ZINC000841041796 635112354 /nfs/dbraw/zinc/11/23/54/635112354.db2.gz CEKQERNATJYONJ-LBTNJELSSA-N 1 0 289.467 3.167 20 10 CGCDRO C[NH2+]Cc1ccccc1NCc1cccc(C)c1O ZINC000841041814 635113607 /nfs/dbraw/zinc/11/36/07/635113607.db2.gz AQLXXEGVEDWVBT-UHFFFAOYSA-N 1 0 256.349 3.032 20 10 CGCDRO Cc1ccc(C[NH2+]CCc2ncc(C)cc2C)c(O)c1 ZINC000877618096 635115805 /nfs/dbraw/zinc/11/58/05/635115805.db2.gz HFDKZMLCELJEEA-UHFFFAOYSA-N 1 0 270.376 3.045 20 10 CGCDRO COc1cccc(C[NH2+]Cc2cccc3c2CCCN3)c1O ZINC000841083596 635118532 /nfs/dbraw/zinc/11/85/32/635118532.db2.gz QLYUSUQEVFQZBC-UHFFFAOYSA-N 1 0 298.386 3.049 20 10 CGCDRO COc1ccc(O)c(C[NH+]2CC(c3ccccc3)C2)c1 ZINC000877665724 635139161 /nfs/dbraw/zinc/13/91/61/635139161.db2.gz GPUFHCNMVTVYTK-UHFFFAOYSA-N 1 0 269.344 3.000 20 10 CGCDRO Cc1cccc(C[N@@H+]2CC[C@@H](O)C[C@@H]2c2ccccc2)c1O ZINC000877672505 635141278 /nfs/dbraw/zinc/14/12/78/635141278.db2.gz GFFLXNOUFMTRFH-QZTJIDSGSA-N 1 0 297.398 3.399 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2Cc3cccc(O)c3C2)c1 ZINC000877703305 635156008 /nfs/dbraw/zinc/15/60/08/635156008.db2.gz APNDTWIUMPDWSR-UHFFFAOYSA-N 1 0 285.343 3.012 20 10 CGCDRO CC(C)(O)C1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000877754085 635183338 /nfs/dbraw/zinc/18/33/38/635183338.db2.gz VKWSAZQQTMCWIZ-UHFFFAOYSA-N 1 0 283.799 3.029 20 10 CGCDRO C[C@H]([NH2+]C1CC(OC(C)(C)C)C1)c1ccccc1O ZINC000877757159 635185340 /nfs/dbraw/zinc/18/53/40/635185340.db2.gz KADOKLRGILUONP-HIFPTAJRSA-N 1 0 263.381 3.389 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCO[C@H](C(F)(F)F)C1)c1ccccc1O ZINC000877758064 635187222 /nfs/dbraw/zinc/18/72/22/635187222.db2.gz HQZHHBOXVLAYCM-KWBADKCTSA-N 1 0 289.297 3.153 20 10 CGCDRO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1Cc1c(O)ccc2ccncc21 ZINC000841690680 635213116 /nfs/dbraw/zinc/21/31/16/635213116.db2.gz MWIGNFRQOIGYGI-FRRDWIJNSA-N 1 0 270.376 3.417 20 10 CGCDRO C[C@H]([NH2+]C[C@H](O)c1ccccc1)c1ccc(Cl)cc1O ZINC000841745054 635222465 /nfs/dbraw/zinc/22/24/65/635222465.db2.gz UBJCUVXMFLWCRW-ZBEGNZNMSA-N 1 0 291.778 3.430 20 10 CGCDRO CCC(O)(CC)C[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841746567 635222767 /nfs/dbraw/zinc/22/27/67/635222767.db2.gz IBAQCYNNBYNTAL-JTQLQIEISA-N 1 0 271.788 3.247 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCSC1)c1ccc(Cl)cc1O ZINC000841752211 635225298 /nfs/dbraw/zinc/22/52/98/635225298.db2.gz RNBJBODWQNLJHG-WCBMZHEXSA-N 1 0 257.786 3.202 20 10 CGCDRO C[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1O)c1cn[nH]c1 ZINC000841752713 635226809 /nfs/dbraw/zinc/22/68/09/635226809.db2.gz VHSAGSOGHFPSLE-IUCAKERBSA-N 1 0 265.744 3.181 20 10 CGCDRO CC[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841752420 635227634 /nfs/dbraw/zinc/22/76/34/635227634.db2.gz ARJYNYMXCJGCLU-BHYNMZESSA-N 1 0 269.772 3.264 20 10 CGCDRO CO[C@H](C[NH2+][C@H](C)c1cc(C)ccc1O)CC(C)C ZINC000841755066 635229036 /nfs/dbraw/zinc/22/90/36/635229036.db2.gz GPVCYIAJZTUNNK-KGLIPLIRSA-N 1 0 265.397 3.412 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCN(CC2CC2)C1)c1ccc(Cl)cc1O ZINC000841764116 635233450 /nfs/dbraw/zinc/23/34/50/635233450.db2.gz PFEXADVTFPNQHH-SMDDNHRTSA-N 1 0 294.826 3.181 20 10 CGCDRO CN(C)c1ccc(C[N@H+](Cc2cc[nH]c(=O)c2)C2CC2)cc1 ZINC000877977355 635301632 /nfs/dbraw/zinc/30/16/32/635301632.db2.gz NZGNBSFNZFHBPS-UHFFFAOYSA-N 1 0 297.402 3.018 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]C[C@H](C)CC(F)F)c1 ZINC000842727618 635451461 /nfs/dbraw/zinc/45/14/61/635451461.db2.gz NJAAISRVRYHFDX-SNVBAGLBSA-N 1 0 273.323 3.172 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)C2)cc1C ZINC000842761080 635463134 /nfs/dbraw/zinc/46/31/34/635463134.db2.gz SJNGNXADDPMZFB-GASCZTMLSA-N 1 0 277.408 3.445 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CC3(CCC3)CO2)c1 ZINC000878360565 635474476 /nfs/dbraw/zinc/47/44/76/635474476.db2.gz OVYUWNJAMCLTLV-OCCSQVGLSA-N 1 0 291.391 3.011 20 10 CGCDRO Cc1cccc2nc(CC[NH2+][C@@H](C)c3ccccc3O)cn21 ZINC000842932649 635514319 /nfs/dbraw/zinc/51/43/19/635514319.db2.gz GXLYYZCNDRVIAS-AWEZNQCLSA-N 1 0 295.386 3.242 20 10 CGCDRO COc1ccc(N(C)CCCC2CC[NH2+]CC2)cc1F ZINC000843359054 635654010 /nfs/dbraw/zinc/65/40/10/635654010.db2.gz FXMHMRCDLOTIHL-UHFFFAOYSA-N 1 0 280.387 3.050 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](c3cccnc3)C2)cc1F ZINC000843419889 635664952 /nfs/dbraw/zinc/66/49/52/635664952.db2.gz VLTHWYSNHDJAKP-MRXNPFEDSA-N 1 0 299.393 3.276 20 10 CGCDRO C[C@@H]1CC2(C[N@@H+]1Cc1cc(Cl)ccc1O)CCOCC2 ZINC000843432581 635674630 /nfs/dbraw/zinc/67/46/30/635674630.db2.gz ZASRVRIOMPKIEA-GFCCVEGCSA-N 1 0 295.810 3.437 20 10 CGCDRO CC[N@H+](CCSC)Cc1cc(Cl)ccc1O ZINC000843437317 635676588 /nfs/dbraw/zinc/67/65/88/635676588.db2.gz AXNJHKMYXJILMQ-UHFFFAOYSA-N 1 0 259.802 3.231 20 10 CGCDRO CC(C)Oc1ccnc(C[NH2+][C@@H](C)c2ccccc2O)c1 ZINC000879649719 635827101 /nfs/dbraw/zinc/82/71/01/635827101.db2.gz DMXHBNQAUULURT-ZDUSSCGKSA-N 1 0 286.375 3.425 20 10 CGCDRO COc1cccc(OCC[NH2+][C@@H](C)c2ccccc2O)c1 ZINC000879650950 635828660 /nfs/dbraw/zinc/82/86/60/635828660.db2.gz ZMJVDRDTEQUHRF-ZDUSSCGKSA-N 1 0 287.359 3.130 20 10 CGCDRO CC[N@H+](Cc1ccc(N(C)C)c(C)c1)[C@H]1CCCOC1 ZINC000844401747 635891039 /nfs/dbraw/zinc/89/10/39/635891039.db2.gz MPKXPGKWYVWVOQ-INIZCTEOSA-N 1 0 276.424 3.062 20 10 CGCDRO COc1ccc(N(C)CC[N@H+](C)[C@H](C)c2ccccn2)cc1 ZINC000844401260 635891346 /nfs/dbraw/zinc/89/13/46/635891346.db2.gz LEERSMZLIVNKSI-OAHLLOKOSA-N 1 0 299.418 3.219 20 10 CGCDRO CC[C@@H]1COC(C)(C)C[N@@H+]1Cc1cc(C)cc(OC)c1O ZINC000844721205 635956630 /nfs/dbraw/zinc/95/66/30/635956630.db2.gz DPTOTXNIUBRFHH-CQSZACIVSA-N 1 0 293.407 3.099 20 10 CGCDRO CC[C@H]1C[C@@H](C[NH2+]Cc2cc(Cl)ccc2O)CCO1 ZINC000846054792 636138877 /nfs/dbraw/zinc/13/88/77/636138877.db2.gz GDLHRBHDWIFRJP-FZMZJTMJSA-N 1 0 283.799 3.340 20 10 CGCDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000846105964 636144006 /nfs/dbraw/zinc/14/40/06/636144006.db2.gz ZQZPXYHMCYLAAS-CYBMUJFWSA-N 1 0 271.282 3.153 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]CCc2csc(C)n2)c1O ZINC000846138322 636148796 /nfs/dbraw/zinc/14/87/96/636148796.db2.gz JOLGVIRXQWOYHN-SNVBAGLBSA-N 1 0 292.404 3.059 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]CCCOC2CCCC2)c1O ZINC000846141975 636149155 /nfs/dbraw/zinc/14/91/55/636149155.db2.gz PHTWZSMVKGHEPH-ZDUSSCGKSA-N 1 0 293.407 3.401 20 10 CGCDRO CC[C@@H](CSC)[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846158830 636150669 /nfs/dbraw/zinc/15/06/69/636150669.db2.gz LEMKFYGUKXNSCB-MNOVXSKESA-N 1 0 269.410 3.193 20 10 CGCDRO CCO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846167739 636152183 /nfs/dbraw/zinc/15/21/83/636152183.db2.gz COGCGLZYLJUJTR-BPLDGKMQSA-N 1 0 293.407 3.399 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]CCOCC2CCCC2)c1O ZINC000846168607 636152191 /nfs/dbraw/zinc/15/21/91/636152191.db2.gz KYSMENBQDDWLFE-ZDUSSCGKSA-N 1 0 293.407 3.258 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)c1O ZINC000846169763 636152952 /nfs/dbraw/zinc/15/29/52/636152952.db2.gz SWMSOGNBJTUKON-RFHZTLPTSA-N 1 0 261.365 3.240 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCCn3ccnc32)cc1 ZINC000848521369 636587185 /nfs/dbraw/zinc/58/71/85/636587185.db2.gz NKSMDDXHBOHPGS-KRWDZBQOSA-N 1 0 298.434 3.354 20 10 CGCDRO COc1c(C)cccc1C[NH2+]Cc1cc(C)ccc1O ZINC000848564023 636607544 /nfs/dbraw/zinc/60/75/44/636607544.db2.gz HDASABUENPWYAT-UHFFFAOYSA-N 1 0 271.360 3.307 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCC[C@@H](c3ccnn3C)C2)c1O ZINC000848883324 636672154 /nfs/dbraw/zinc/67/21/54/636672154.db2.gz MGXIWXDOVRIITB-OAHLLOKOSA-N 1 0 299.418 3.068 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@H](O)c2ccc(C)cc2)c1O ZINC000848893535 636678744 /nfs/dbraw/zinc/67/87/44/636678744.db2.gz GAMUNEIGTCYPKQ-KRWDZBQOSA-N 1 0 285.387 3.086 20 10 CGCDRO CCc1cccc(C[NH2+]CCN2Cc3ccccc3C2)c1O ZINC000848892638 636678850 /nfs/dbraw/zinc/67/88/50/636678850.db2.gz CNISZCDDJNMOEY-UHFFFAOYSA-N 1 0 296.414 3.060 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1O ZINC000848900753 636681794 /nfs/dbraw/zinc/68/17/94/636681794.db2.gz PYGGWFDXROAEKO-UAGQMJEPSA-N 1 0 287.403 3.002 20 10 CGCDRO CCc1cccc(C[NH2+][C@@]2(C)CCO[C@H]2C2CC2)c1O ZINC000848902263 636682688 /nfs/dbraw/zinc/68/26/88/636682688.db2.gz MJTFRHCCLFLAAU-IRXDYDNUSA-N 1 0 275.392 3.002 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCC[C@@H](OC(F)F)C2)c1O ZINC000848903254 636683022 /nfs/dbraw/zinc/68/30/22/636683022.db2.gz ZYKWZDCZXSTCCG-CYBMUJFWSA-N 1 0 285.334 3.158 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@H](O)CCc2ccccc2)c1O ZINC000848902085 636683191 /nfs/dbraw/zinc/68/31/91/636683191.db2.gz JVKQHAPFCCYXLA-GOSISDBHSA-N 1 0 299.414 3.038 20 10 CGCDRO CCc1ccc([C@@H](O)C[NH2+]Cc2cccc(CC)c2O)cc1 ZINC000848910766 636686624 /nfs/dbraw/zinc/68/66/24/636686624.db2.gz PTFAALNDTNDNCG-SFHVURJKSA-N 1 0 299.414 3.340 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H]2Cc3ccccc3[C@@H]2OC)c1O ZINC000848916311 636690248 /nfs/dbraw/zinc/69/02/48/636690248.db2.gz GEVXWNSOQKDFNQ-MJGOQNOKSA-N 1 0 297.398 3.357 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H]2CCO[C@@H](CC)C2)c1O ZINC000848917448 636690369 /nfs/dbraw/zinc/69/03/69/636690369.db2.gz GIUNVZZRDWDTOV-CABCVRRESA-N 1 0 263.381 3.002 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)Cc1ccccn1 ZINC000848926729 636698919 /nfs/dbraw/zinc/69/89/19/636698919.db2.gz XIEWRVVIIXNJLO-OAHLLOKOSA-N 1 0 283.419 3.177 20 10 CGCDRO CC(C)CCC[C@H](C)NC(=[NH2+])NCc1ccccc1O ZINC000848984788 636705226 /nfs/dbraw/zinc/70/52/26/636705226.db2.gz CTGVVIPIAZRDMX-ZDUSSCGKSA-N 1 0 277.412 3.221 20 10 CGCDRO CC[N@H+](Cc1cccc(Br)c1[O-])C1CC1 ZINC000133320702 636889972 /nfs/dbraw/zinc/88/99/72/636889972.db2.gz PKKNKKXAIZQEKZ-UHFFFAOYSA-N 1 0 270.170 3.139 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](c3ccccc3)C2)c1 ZINC000133698298 636969245 /nfs/dbraw/zinc/96/92/45/636969245.db2.gz TWYOLEAJCOTVOA-OAHLLOKOSA-N 1 0 283.371 3.390 20 10 CGCDRO CCOc1cccc(C[NH2+][C@H](CC)COCC2CC2)c1O ZINC000850349882 637022784 /nfs/dbraw/zinc/02/27/84/637022784.db2.gz LRDKJRZPUVAYAF-OAHLLOKOSA-N 1 0 293.407 3.086 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CCC[C@H]3C)C2)cc1 ZINC000850346509 637023002 /nfs/dbraw/zinc/02/30/02/637023002.db2.gz GPGOMAIHDBMBRC-JKIFEVAISA-N 1 0 274.408 3.052 20 10 CGCDRO Oc1ccccc1C[NH2+]Cc1ccnc2ccccc12 ZINC000134481844 637024655 /nfs/dbraw/zinc/02/46/55/637024655.db2.gz IPACRVIFFCYGGZ-UHFFFAOYSA-N 1 0 264.328 3.230 20 10 CGCDRO COc1cccc(O)c1C[NH2+][C@H]1C[C@H](Oc2ccccc2)C1 ZINC000850373846 637035897 /nfs/dbraw/zinc/03/58/97/637035897.db2.gz DISVTBJYKMVQOH-CTYIDZIISA-N 1 0 299.370 3.100 20 10 CGCDRO CCOc1ccc(C[NH2+]C[C@@H]2CCC[C@H]3C[C@H]32)c(O)c1 ZINC000850377898 637038294 /nfs/dbraw/zinc/03/82/94/637038294.db2.gz NEZKCJXEKSMINO-HEHGZKQESA-N 1 0 275.392 3.317 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@]2(C)CC2(F)F)cc1C ZINC000850378830 637039542 /nfs/dbraw/zinc/03/95/42/637039542.db2.gz AKBMHOOLHIIWGU-CYBMUJFWSA-N 1 0 255.308 3.144 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]C[C@H]2C(C)(C)C2(F)F)c1 ZINC000850393436 637045370 /nfs/dbraw/zinc/04/53/70/637045370.db2.gz CMJAVOHVVZJSMN-ZDUSSCGKSA-N 1 0 285.334 3.172 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccccc1O)C1CCC(F)CC1 ZINC000850395511 637046850 /nfs/dbraw/zinc/04/68/50/637046850.db2.gz IBVBMLMMRLPAFU-LKSINWNRSA-N 1 0 251.345 3.399 20 10 CGCDRO CC1(C)[C@H](C[NH2+]Cc2c(O)cccc2Cl)C1(F)F ZINC000850394598 637047025 /nfs/dbraw/zinc/04/70/25/637047025.db2.gz VVFBJGQLLKGELM-NSHDSACASA-N 1 0 275.726 3.427 20 10 CGCDRO C[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)C1CCC(F)CC1 ZINC000850396240 637047767 /nfs/dbraw/zinc/04/77/67/637047767.db2.gz RYDSDBJOXUBICN-ZBOXLXRLSA-N 1 0 295.354 3.127 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+][C@H]3CCCC34CC4)C2)cc1 ZINC000850486832 637087683 /nfs/dbraw/zinc/08/76/83/637087683.db2.gz KDURQLINVBZWLL-YOEHRIQHSA-N 1 0 286.419 3.196 20 10 CGCDRO CCC[C@@H](CC)[NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850488394 637087990 /nfs/dbraw/zinc/08/79/90/637087990.db2.gz MOHROEHWCUDPHT-HUUCEWRRSA-N 1 0 276.424 3.442 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1C[C@@H](C)n2ncnc21)c1ccc(C)cc1O ZINC000850498761 637090930 /nfs/dbraw/zinc/09/09/30/637090930.db2.gz CRANZYVNLVPJPD-KWCYVHTRSA-N 1 0 286.379 3.039 20 10 CGCDRO CN1CCCc2cc(C[NH2+][C@@H]3CCOC(C)(C)C3)ccc21 ZINC000215887882 637097256 /nfs/dbraw/zinc/09/72/56/637097256.db2.gz MDKBHJFROAYXEB-MRXNPFEDSA-N 1 0 288.435 3.116 20 10 CGCDRO CCO[C@H]1C[C@H]([NH2+][C@H](C)c2ccc(Cl)cc2O)C1 ZINC000850513326 637098555 /nfs/dbraw/zinc/09/85/55/637098555.db2.gz GBDOVAREPDNBEU-YUSALJHKSA-N 1 0 269.772 3.264 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)C2(CO)CC2)c1O ZINC000850515230 637099161 /nfs/dbraw/zinc/09/91/61/637099161.db2.gz JMMMPMGUCKWWOC-WDEREUQCSA-N 1 0 283.799 3.166 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2C[C@H](O)c3ccccc32)c1 ZINC000850528759 637107811 /nfs/dbraw/zinc/10/78/11/637107811.db2.gz MUELBNVHBVNRKR-LSKLOWJMSA-N 1 0 299.370 3.230 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2CCC[C@@H](C)O2)c1O ZINC000850533844 637110405 /nfs/dbraw/zinc/11/04/05/637110405.db2.gz COLNLLIDALEVCB-AGIUHOORSA-N 1 0 279.380 3.009 20 10 CGCDRO COc1ccnc(C[NH2+][C@@H](C)c2cc(C)ccc2O)c1F ZINC000850536089 637112234 /nfs/dbraw/zinc/11/22/34/637112234.db2.gz BPWVNJZQOOJNRB-NSHDSACASA-N 1 0 290.338 3.094 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)CN1CCC(C)CC1)c1ccccc1O ZINC000850543239 637115648 /nfs/dbraw/zinc/11/56/48/637115648.db2.gz GTCTZPKAJRGFOH-LSDHHAIUSA-N 1 0 276.424 3.163 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)c1nccn1C)c1ccc(N(C)C)cc1 ZINC000850572710 637129947 /nfs/dbraw/zinc/12/99/47/637129947.db2.gz OELUGQNILFOVRO-CJNGLKHVSA-N 1 0 286.423 3.288 20 10 CGCDRO C[C@H](O)[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1ccccc1 ZINC000850583936 637133081 /nfs/dbraw/zinc/13/30/81/637133081.db2.gz OORWMIWPAZOKTM-PNPHSEOMSA-N 1 0 283.371 3.091 20 10 CGCDRO Cc1cccc(OCC[N@@H+](C)Cc2ccccc2O)c1 ZINC000109773379 637267171 /nfs/dbraw/zinc/26/71/71/637267171.db2.gz YHFJPTHKWQEBGF-UHFFFAOYSA-N 1 0 271.360 3.211 20 10 CGCDRO COc1ccc(N2CCC[N@H+](CC3CC=CC3)CC2)cc1 ZINC000851733314 637481811 /nfs/dbraw/zinc/48/18/11/637481811.db2.gz RFMOWNTZSSXTGI-UHFFFAOYSA-N 1 0 286.419 3.174 20 10 CGCDRO CO[C@@H](C[N@H+](C)Cc1ccccc1O)C1CCCCC1 ZINC000851841296 637519724 /nfs/dbraw/zinc/51/97/24/637519724.db2.gz OPOYNCGQBMDAGF-KRWDZBQOSA-N 1 0 277.408 3.419 20 10 CGCDRO C[C@@H](NCC[N@H+](C)C1CCCC1)c1c(O)cccc1F ZINC000886524845 637553175 /nfs/dbraw/zinc/55/31/75/637553175.db2.gz SELSJIUXNAYJEV-GFCCVEGCSA-N 1 0 280.387 3.056 20 10 CGCDRO CCOC(=O)CN(CCC=C(C)C)Cc1ccccc1O ZINC000852191086 637611651 /nfs/dbraw/zinc/61/16/51/637611651.db2.gz BLGFZABXDFSUAR-UHFFFAOYSA-N 1 0 291.391 3.114 20 10 CGCDRO Cc1cc(C[N@H+]2CCCC[C@@H]2[C@@H](C)CO)ccc1N(C)C ZINC000852428747 637652661 /nfs/dbraw/zinc/65/26/61/637652661.db2.gz WCUBNTJTTRLQOS-MAUKXSAKSA-N 1 0 290.451 3.044 20 10 CGCDRO CS[C@@H]1CC[C@@H]([NH2+][C@H](C)c2cc(F)ccc2O)C1 ZINC000300418947 637838632 /nfs/dbraw/zinc/83/86/32/637838632.db2.gz IYBCTDWFTVYMLI-YUSALJHKSA-N 1 0 269.385 3.466 20 10 CGCDRO COc1ccc(C[NH2+]C[C@@H]2CCc3ccccc32)c(O)c1 ZINC000111390605 637861182 /nfs/dbraw/zinc/86/11/82/637861182.db2.gz UJULIBBUAQPQSH-AWEZNQCLSA-N 1 0 283.371 3.220 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCO[C@](C)(C3CC3)C2)c1 ZINC000853527826 637862309 /nfs/dbraw/zinc/86/23/09/637862309.db2.gz GBUNIMTXTZGWME-KRWDZBQOSA-N 1 0 275.392 3.010 20 10 CGCDRO C[C@@H](CC1CC1)[NH2+]Cc1cc(Br)ccc1O ZINC000112711614 638110065 /nfs/dbraw/zinc/11/00/65/638110065.db2.gz CIKXLYAQQFFFDK-VIFPVBQESA-N 1 0 284.197 3.433 20 10 CGCDRO CCOc1ccccc1C[NH2+]Cc1cc(C)ccc1O ZINC000113326414 638200453 /nfs/dbraw/zinc/20/04/53/638200453.db2.gz MFXZSBLPVOMOPF-UHFFFAOYSA-N 1 0 271.360 3.389 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cc(O)cc(F)c1 ZINC000924575499 638366194 /nfs/dbraw/zinc/36/61/94/638366194.db2.gz WCJOYCVBYQBVNT-GFCCVEGCSA-N 1 0 288.366 3.448 20 10 CGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccnc(C)c1 ZINC000856717318 638375620 /nfs/dbraw/zinc/37/56/20/638375620.db2.gz BOKFJMIQZNHCFK-UHFFFAOYSA-N 1 0 283.419 3.478 20 10 CGCDRO COc1ccc(F)c(C[NH2+]Cc2cc(C)ccc2O)c1 ZINC000856801568 638391601 /nfs/dbraw/zinc/39/16/01/638391601.db2.gz SZJKMUHUTCUKSX-UHFFFAOYSA-N 1 0 275.323 3.138 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CC[C@H]2CC2(F)F)c(Cl)c1 ZINC000856802407 638392023 /nfs/dbraw/zinc/39/20/23/638392023.db2.gz HVGLZBNDIHSPIH-VIFPVBQESA-N 1 0 275.726 3.489 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C1CC2(C1)CO[C@H](C)C2 ZINC000925080458 638447933 /nfs/dbraw/zinc/44/79/33/638447933.db2.gz MHMYLYHSNBRIKC-MXWWQKGMSA-N 1 0 288.435 3.108 20 10 CGCDRO C[C@@H](Cc1ccco1)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858091763 638624795 /nfs/dbraw/zinc/62/47/95/638624795.db2.gz FEHGSLOPOJEYDA-NSHDSACASA-N 1 0 294.345 3.345 20 10 CGCDRO C[C@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)C1(C)CC1 ZINC000858116693 638634842 /nfs/dbraw/zinc/63/48/42/638634842.db2.gz YUIJWRNUFBFSEU-JTQLQIEISA-N 1 0 268.351 3.309 20 10 CGCDRO Cc1cc(C[NH2+]CCCSc2nccs2)ccn1 ZINC000858140926 638640346 /nfs/dbraw/zinc/64/03/46/638640346.db2.gz JYLSDSRUGWRSLM-UHFFFAOYSA-N 1 0 279.434 3.119 20 10 CGCDRO CSCC[C@@H](C)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858141873 638641904 /nfs/dbraw/zinc/64/19/04/638641904.db2.gz SXEVSFNQMSKHKE-SNVBAGLBSA-N 1 0 288.407 3.262 20 10 CGCDRO CN(C)c1cc(F)c(C[NH2+]CC2=CCCC2)cc1F ZINC000858192398 638655855 /nfs/dbraw/zinc/65/58/55/638655855.db2.gz JGRGDTWNBLWFCC-UHFFFAOYSA-N 1 0 266.335 3.231 20 10 CGCDRO CCC[C@@H](C[NH2+]Cc1ccc(OCC)cc1O)OCC ZINC000858210188 638658503 /nfs/dbraw/zinc/65/85/03/638658503.db2.gz IHHNDGGTUBFUTG-HNNXBMFYSA-N 1 0 281.396 3.086 20 10 CGCDRO CCOC(=O)C1=CC[C@H]([NH2+][C@@H](C)c2cc(C)ccc2O)C1 ZINC000858504852 638747610 /nfs/dbraw/zinc/74/76/10/638747610.db2.gz ABTVGPMNXNJDCL-JSGCOSHPSA-N 1 0 289.375 3.003 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CCS[C@H](C)C1)c1cc(F)ccc1O ZINC000927029710 638833883 /nfs/dbraw/zinc/83/38/83/638833883.db2.gz DSEQAPIYHKEZQU-FOGDFJRCSA-N 1 0 269.385 3.466 20 10 CGCDRO CC[C@@H]([NH2+]CCNc1ccc(C)cn1)c1ccccc1O ZINC000927073423 638838337 /nfs/dbraw/zinc/83/83/37/638838337.db2.gz MFAGZJMOLKELAI-OAHLLOKOSA-N 1 0 285.391 3.248 20 10 CGCDRO CC(C)[C@H]([NH2+][C@H](C)c1ccccc1O)c1cnn(C)c1 ZINC000927072178 638838431 /nfs/dbraw/zinc/83/84/31/638838431.db2.gz WVZUHQQDDRRUNZ-WBMJQRKESA-N 1 0 273.380 3.174 20 10 CGCDRO COc1ccc(N2CC[NH+](CCCC(C)(F)F)CC2)cc1 ZINC000929152862 638903457 /nfs/dbraw/zinc/90/34/57/638903457.db2.gz HCSXAZVPTDURHL-UHFFFAOYSA-N 1 0 298.377 3.253 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)c2ccns2)c1O ZINC000858576681 638997170 /nfs/dbraw/zinc/99/71/70/638997170.db2.gz MDHOAEFDKIWBKA-UWVGGRQHSA-N 1 0 278.377 3.269 20 10 CGCDRO CS[C@H]1CCC[C@H]([NH2+]Cc2cc(C)ccc2O)C1 ZINC000117394884 639326685 /nfs/dbraw/zinc/32/66/85/639326685.db2.gz JDDVXIPLMPXNSS-KBPBESRZSA-N 1 0 265.422 3.464 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCCN(C)C1)c1ccc2ccccc2c1O ZINC000040671902 639896481 /nfs/dbraw/zinc/89/64/81/639896481.db2.gz FGJSSWKLHKKVLW-UKRRQHHQSA-N 1 0 284.403 3.290 20 10 CGCDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000158007064 639997040 /nfs/dbraw/zinc/99/70/40/639997040.db2.gz SFEIHMVAWUSLDP-IYBDPMFKSA-N 1 0 288.435 3.001 20 10 CGCDRO C[C@@H](C[NH2+]Cc1cccc(Cl)c1[O-])C[NH+]1CCCCC1 ZINC000158112405 639997565 /nfs/dbraw/zinc/99/75/65/639997565.db2.gz MMNOYZCSVYOPPE-ZDUSSCGKSA-N 1 0 296.842 3.257 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)c1ccccn1 ZINC000159152513 640033020 /nfs/dbraw/zinc/03/30/20/640033020.db2.gz SBGFLTWPFAGFKE-CQSZACIVSA-N 1 0 269.392 3.307 20 10 CGCDRO CC[N@@H+](Cc1ccc(N(C)C)cc1)C[C@@H]1CCC=CO1 ZINC000191059453 640286629 /nfs/dbraw/zinc/28/66/29/640286629.db2.gz ARUOSSFDHNLXLR-KRWDZBQOSA-N 1 0 274.408 3.267 20 10 CGCDRO Cc1ccc(C[C@@H](CO)[NH2+][C@@H](C)c2cc(C)ccc2O)cc1 ZINC000191587300 640321395 /nfs/dbraw/zinc/32/13/95/640321395.db2.gz HBRMOKRYIFIHLN-RDJZCZTQSA-N 1 0 299.414 3.263 20 10 CGCDRO CC[C@@H]([NH2+]CCCOC(F)F)c1ccccc1O ZINC000194031408 640507619 /nfs/dbraw/zinc/50/76/19/640507619.db2.gz ZHXSHRJOIXQPSS-LLVKDONJSA-N 1 0 259.296 3.062 20 10 CGCDRO C[C@H]1CC([NH2+]Cc2cc3c(cc2O)OCO3)C[C@H](C)C1 ZINC000084461603 640605852 /nfs/dbraw/zinc/60/58/52/640605852.db2.gz GFMTXETUYVSQFA-GHMZBOCLSA-N 1 0 277.364 3.035 20 10 CGCDRO C[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H]1C ZINC000245713943 640633872 /nfs/dbraw/zinc/63/38/72/640633872.db2.gz GMOOHUUEBIRNQQ-JKSUJKDBSA-N 1 0 288.435 3.001 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](CO)CC(C)C)cc1 ZINC000246963413 640702180 /nfs/dbraw/zinc/70/21/80/640702180.db2.gz ISIIHKZKLRQCSM-GOEBONIOSA-N 1 0 278.440 3.200 20 10 CGCDRO Cc1ccc(O)c(C[N@H+](C)CCOCc2ccccc2)c1 ZINC000091937090 640728295 /nfs/dbraw/zinc/72/82/95/640728295.db2.gz WHGMXDNCZAZMQU-UHFFFAOYSA-N 1 0 285.387 3.349 20 10 CGCDRO CCOc1ccc(O)c(C[N@H+](CC(C)C)C2CC2)c1 ZINC000092009191 640729399 /nfs/dbraw/zinc/72/93/99/640729399.db2.gz CSMUKQFLPRLHBL-UHFFFAOYSA-N 1 0 263.381 3.411 20 10 CGCDRO CS[C@@H]1CCCC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000092064232 640730792 /nfs/dbraw/zinc/73/07/92/640730792.db2.gz HDZNWXGLJAAAHQ-CQSZACIVSA-N 1 0 265.422 3.418 20 10 CGCDRO Cc1noc(C)c1[C@@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000092328233 640734980 /nfs/dbraw/zinc/73/49/80/640734980.db2.gz IWWOXVKWGKZOCS-NXEZZACHSA-N 1 0 260.337 3.409 20 10 CGCDRO COc1ccc(O)c(C[NH2+]CC2C(C)(C)C2(C)C)c1 ZINC000092804528 640745542 /nfs/dbraw/zinc/74/55/42/640745542.db2.gz ZLNREVMDWSDQNL-UHFFFAOYSA-N 1 0 263.381 3.173 20 10 CGCDRO C[C@@H](CN1CCC[C@@H](C)C1)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000248491047 640762607 /nfs/dbraw/zinc/76/26/07/640762607.db2.gz IMKKUPQGZMHVSB-RDBSUJKOSA-N 1 0 294.414 3.302 20 10 CGCDRO C[C@H](CN1CCC[C@@H](C)C1)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000248491045 640763367 /nfs/dbraw/zinc/76/33/67/640763367.db2.gz IMKKUPQGZMHVSB-MGPQQGTHSA-N 1 0 294.414 3.302 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)c1cc(C)ccc1O)[C@@H]1CCCO1 ZINC000248496457 640764716 /nfs/dbraw/zinc/76/47/16/640764716.db2.gz LHZPATJHEVWPCV-INWMFGNUSA-N 1 0 263.381 3.309 20 10 CGCDRO C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000093417768 640771308 /nfs/dbraw/zinc/77/13/08/640771308.db2.gz ZFRLHTRQCZRKNS-CVEARBPZSA-N 1 0 288.435 3.286 20 10 CGCDRO Oc1ccc(Cl)cc1CN1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000250739865 640816079 /nfs/dbraw/zinc/81/60/79/640816079.db2.gz DVNCOAWPKOPVCQ-CABCVRRESA-N 1 0 294.826 3.152 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)C[C@H](C)O)c1ccc2ccccc2c1O ZINC000252752536 640863049 /nfs/dbraw/zinc/86/30/49/640863049.db2.gz HNKJWDRGANAYJP-RWMBFGLXSA-N 1 0 273.376 3.355 20 10 CGCDRO C[N@H+](Cc1ccccc1O)Cc1c(O)cccc1Cl ZINC000120055918 641046029 /nfs/dbraw/zinc/04/60/29/641046029.db2.gz AWQLDXWHMSCEOI-UHFFFAOYSA-N 1 0 277.751 3.383 20 10 CGCDRO CCCCCC[C@@H](C)[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC001257361166 807123109 /nfs/dbraw/zinc/12/31/09/807123109.db2.gz FHJZINGDEQIARX-GFCCVEGCSA-N 1 0 279.380 3.229 20 10 CGCDRO Cc1cc(C)c(C[NH2+]C[C@@](C)(O)c2ccccc2)c(O)c1 ZINC001253122903 806177514 /nfs/dbraw/zinc/17/75/14/806177514.db2.gz VBROUCRCEJHINM-GOSISDBHSA-N 1 0 285.387 3.006 20 10 CGCDRO CCOc1ccc(N2CC[NH+](CC=C(C)C)CC2)cc1 ZINC001253831881 806314118 /nfs/dbraw/zinc/31/41/18/806314118.db2.gz NATYHCVAOPVSIH-UHFFFAOYSA-N 1 0 274.408 3.174 20 10 CGCDRO CC[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(OC)c1O ZINC000037032063 798857061 /nfs/dbraw/zinc/85/70/61/798857061.db2.gz CQVSHYGNGZIKMJ-GXTWGEPZSA-N 1 0 263.381 3.459 20 10 CGCDRO C[C@H]([NH2+][C@@H](Cn1ccnc1)C(C)(C)C)c1ccccc1O ZINC000037156698 798861678 /nfs/dbraw/zinc/86/16/78/798861678.db2.gz HLPUOFYOCTXAPG-BBRMVZONSA-N 1 0 287.407 3.354 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]C[C@H]1Cc2ccccc21 ZINC000037565490 798868933 /nfs/dbraw/zinc/86/89/33/798868933.db2.gz DLDGMLBITABLMV-GFCCVEGCSA-N 1 0 273.763 3.475 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H]1Cc2ccccc2O1)c1ccccc1O ZINC000038009340 798883717 /nfs/dbraw/zinc/88/37/17/798883717.db2.gz MDLKPGHUYSIWKG-HOCLYGCPSA-N 1 0 283.371 3.437 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]C[C@@]2(N(C)C)CCC[C@@H](C)C2)c1 ZINC000071408281 798916623 /nfs/dbraw/zinc/91/66/23/798916623.db2.gz KCRLPTLORONOGD-CRAIPNDOSA-N 1 0 290.451 3.301 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H](Cn2ccnc2)C(C)(C)C)c1 ZINC000071407949 798917254 /nfs/dbraw/zinc/91/72/54/798917254.db2.gz ITDZLRZCBBBOJR-INIZCTEOSA-N 1 0 287.407 3.102 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]Cc2ccc(F)cc2)c1O ZINC000076274302 798923886 /nfs/dbraw/zinc/92/38/86/798923886.db2.gz RREXOMATFKRGKM-UHFFFAOYSA-N 1 0 295.741 3.483 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000093338372 798964576 /nfs/dbraw/zinc/96/45/76/798964576.db2.gz ROGFTUFHUZCMJR-UHFFFAOYSA-N 1 0 298.342 3.167 20 10 CGCDRO COc1ccc(O)c(C[NH2+]Cc2c(O)cccc2Cl)c1 ZINC000114505874 798985782 /nfs/dbraw/zinc/98/57/82/798985782.db2.gz JTHKZUBQFXZKIW-UHFFFAOYSA-N 1 0 293.750 3.050 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCOC(C)(C)C2)cc1C(C)C ZINC000126272673 799006214 /nfs/dbraw/zinc/00/62/14/799006214.db2.gz YMFXQFOJWPSRPV-UHFFFAOYSA-N 1 0 277.408 3.435 20 10 CGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]CCOCC(F)F ZINC000231689412 799140728 /nfs/dbraw/zinc/14/07/28/799140728.db2.gz VZWXRRLGXRPVIA-QWRGUYRKSA-N 1 0 285.334 3.120 20 10 CGCDRO C1=CO[C@@H](C[NH2+]Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000380211850 799358410 /nfs/dbraw/zinc/35/84/10/799358410.db2.gz IAGYMERXZLOBPS-GOSISDBHSA-N 1 0 286.419 3.459 20 10 CGCDRO CC[C@H](C)[C@@H](C[NH2+][C@H](C)c1ccc(C)cc1O)OC ZINC000381320681 799376287 /nfs/dbraw/zinc/37/62/87/799376287.db2.gz WFJGSGPUBQDEBB-WOSRLPQWSA-N 1 0 265.397 3.412 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H]2CCC(F)(F)C2)c1O ZINC000382026737 799391678 /nfs/dbraw/zinc/39/16/78/799391678.db2.gz QQJBBTLRYCUPOP-LLVKDONJSA-N 1 0 271.307 3.068 20 10 CGCDRO CC(C)[C@H](C[NH2+][C@H]1CCc2cccc(O)c21)N1CCCC1 ZINC000386652038 799438506 /nfs/dbraw/zinc/43/85/06/799438506.db2.gz YOEDNWRGCCQHDC-HOTGVXAUSA-N 1 0 288.435 3.090 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccnc(C)c2)c(O)c1 ZINC000391132166 799476903 /nfs/dbraw/zinc/47/69/03/799476903.db2.gz GTRNMXSEZSTAKP-ZDUSSCGKSA-N 1 0 256.349 3.255 20 10 CGCDRO CC[C@H]([NH2+]CC(C)(C)C(C)(C)O)c1ccccc1O ZINC000393600429 799488836 /nfs/dbraw/zinc/48/88/36/799488836.db2.gz QXXVNGLFHKQVLO-ZDUSSCGKSA-N 1 0 265.397 3.230 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CC2(CC)COC2)cc1 ZINC000393966532 799492429 /nfs/dbraw/zinc/49/24/29/799492429.db2.gz CWZIBHNMOPVINU-UHFFFAOYSA-N 1 0 276.424 3.049 20 10 CGCDRO C[C@H]([NH2+]CC1(N(C)C)CC1)c1ccc2ccccc2c1O ZINC000397869729 799522257 /nfs/dbraw/zinc/52/22/57/799522257.db2.gz IWKOOXCGHDWTMA-ZDUSSCGKSA-N 1 0 284.403 3.290 20 10 CGCDRO CCOc1cccc(C[NH2+][C@H](C)CCC2CC2)c1O ZINC000398212450 799528978 /nfs/dbraw/zinc/52/89/78/799528978.db2.gz KIERXDNIOCVZIY-GFCCVEGCSA-N 1 0 263.381 3.459 20 10 CGCDRO C[C@@H](Cc1ccccc1F)[NH2+]CCc1ccc(O)c(O)c1 ZINC001255829954 806760231 /nfs/dbraw/zinc/76/02/31/806760231.db2.gz BCBLOAQATYWKIV-LBPRGKRZSA-N 1 0 289.350 3.000 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@@H]2CCC[C@H](C)O2)c1O ZINC000688885256 799758486 /nfs/dbraw/zinc/75/84/86/799758486.db2.gz SXCLTNISNOOJJT-WFASDCNBSA-N 1 0 263.381 3.002 20 10 CGCDRO CCc1cccc(C[NH2+]CC[C@@H]2CCCCO2)c1O ZINC000691433032 799783330 /nfs/dbraw/zinc/78/33/30/799783330.db2.gz BYZWEDCZXZASJH-HNNXBMFYSA-N 1 0 263.381 3.003 20 10 CGCDRO CCc1cccc(C[NH2+]Cc2sc(C)nc2C)c1O ZINC000691449436 799783950 /nfs/dbraw/zinc/78/39/50/799783950.db2.gz TXSXXHXKWCUJDI-UHFFFAOYSA-N 1 0 276.405 3.318 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CC2(COC)CC2)cc1 ZINC000691820897 799788299 /nfs/dbraw/zinc/78/82/99/799788299.db2.gz MOEWMQIVCKUDME-UHFFFAOYSA-N 1 0 276.424 3.049 20 10 CGCDRO CCc1cccc(C[NH+]2CCC(F)(F)CC2)c1O ZINC000692114878 799791765 /nfs/dbraw/zinc/79/17/65/799791765.db2.gz JTSTXJGWIRNBRF-UHFFFAOYSA-N 1 0 255.308 3.186 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)Cc2ccccn2)c1 ZINC000694001265 799819452 /nfs/dbraw/zinc/81/94/52/799819452.db2.gz VQYLCCXVMAOASH-KBPBESRZSA-N 1 0 270.376 3.377 20 10 CGCDRO C[C@H](Cc1ccccn1)[NH2+][C@H](C)c1ccccc1O ZINC000694036496 799820872 /nfs/dbraw/zinc/82/08/72/799820872.db2.gz AIQVUFRDOWGEEO-CHWSQXEVSA-N 1 0 256.349 3.069 20 10 CGCDRO COc1cccc(C[N@@H+]2CCC[C@@H](C(C)C)C2)c1O ZINC000694455538 799822181 /nfs/dbraw/zinc/82/21/81/799822181.db2.gz VLPXGELOGJKMIT-CYBMUJFWSA-N 1 0 263.381 3.269 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+][C@H]1CCCC(F)(F)C1 ZINC000695089503 799826105 /nfs/dbraw/zinc/82/61/05/799826105.db2.gz HKFWDXDXVMLDQN-NSHDSACASA-N 1 0 259.271 3.199 20 10 CGCDRO CCOc1cccc(C[NH2+]C[C@@H](C)CC(F)F)c1O ZINC000697684533 799848442 /nfs/dbraw/zinc/84/84/42/799848442.db2.gz OKRROYNDUFLEHK-JTQLQIEISA-N 1 0 273.323 3.172 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000698917239 799858173 /nfs/dbraw/zinc/85/81/73/799858173.db2.gz BLOIYSDYCHVNFC-QWRGUYRKSA-N 1 0 251.757 3.181 20 10 CGCDRO Oc1cc(Br)ccc1C[NH+]1C2CCC1CC2 ZINC000701191833 799885632 /nfs/dbraw/zinc/88/56/32/799885632.db2.gz GOKROKCEIQKFID-UHFFFAOYSA-N 1 0 282.181 3.282 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC[C@H]2CC2(F)F)c1 ZINC000701949401 799900235 /nfs/dbraw/zinc/90/02/35/799900235.db2.gz CRBGMZOKMDWLEE-ZJUUUORDSA-N 1 0 271.307 3.097 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCC2(F)CCC2)c1 ZINC000702471187 799909905 /nfs/dbraw/zinc/90/99/05/799909905.db2.gz JKPTXZNEXZVLAM-LLVKDONJSA-N 1 0 267.344 3.334 20 10 CGCDRO C[C@@H]([NH2+]CCOCCF)c1ccc2ccccc2c1O ZINC000702627542 799910829 /nfs/dbraw/zinc/91/08/29/799910829.db2.gz TZSAAJHVNNGPAD-GFCCVEGCSA-N 1 0 277.339 3.182 20 10 CGCDRO COc1ccc(C[NH2+]C2CCC(OC)CC2)cc1C ZINC000703831492 799931428 /nfs/dbraw/zinc/93/14/28/799931428.db2.gz NEVYMCPYRFFQKI-UHFFFAOYSA-N 1 0 263.381 3.051 20 10 CGCDRO CCC[C@@H](C[NH2+][C@H](C)c1ccccc1O)OCC ZINC000705360594 799948841 /nfs/dbraw/zinc/94/88/41/799948841.db2.gz BLSXIQNSAUOEFM-OLZOCXBDSA-N 1 0 251.370 3.248 20 10 CGCDRO C[C@H]1CCC[C@H]1[NH2+]Cc1c(O)cccc1Br ZINC000706857803 799969128 /nfs/dbraw/zinc/96/91/28/799969128.db2.gz FXUQOZHMQGOIIB-JOYOIKCWSA-N 1 0 284.197 3.433 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+][C@@H]1CCCC12CC2 ZINC000706934544 799970347 /nfs/dbraw/zinc/97/03/47/799970347.db2.gz FORYSHUCXMIDDN-CYBMUJFWSA-N 1 0 251.757 3.468 20 10 CGCDRO CC(C)O[C@@H]1CCC[N@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000708423135 799988930 /nfs/dbraw/zinc/98/89/30/799988930.db2.gz PMFGAAKUDYSDEJ-CYBMUJFWSA-N 1 0 285.334 3.060 20 10 CGCDRO C[C@]1(C(F)(F)F)CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000708602533 799991757 /nfs/dbraw/zinc/99/17/57/799991757.db2.gz VHALYSPXEWOGGT-LBPRGKRZSA-N 1 0 277.261 3.306 20 10 CGCDRO CC1(C)C[C@@H](C[NH2+]Cc2cc(F)ccc2O)C(C)(C)O1 ZINC000709679707 800012804 /nfs/dbraw/zinc/01/28/04/800012804.db2.gz HKBDOHCAJVBCEM-LBPRGKRZSA-N 1 0 281.371 3.215 20 10 CGCDRO CC1(C)C[C@H](C[NH2+]Cc2ccccc2O)C(C)(C)O1 ZINC000709753832 800016698 /nfs/dbraw/zinc/01/66/98/800016698.db2.gz DNSVRKJPUOJTJE-CYBMUJFWSA-N 1 0 263.381 3.076 20 10 CGCDRO CO[C@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2O)C12CCC2 ZINC000713470884 800109430 /nfs/dbraw/zinc/10/94/30/800109430.db2.gz JJQLXCPYJPPDKU-KBPBESRZSA-N 1 0 281.783 3.093 20 10 CGCDRO CO[C@@H]1C[C@H]([NH2+][C@H](C)c2cc(F)ccc2O)C12CCC2 ZINC000713482980 800111120 /nfs/dbraw/zinc/11/11/20/800111120.db2.gz WTGZSAYMQBCCRR-WKPIXPDZSA-N 1 0 279.355 3.140 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C2CC(C(C)C)C2)c1 ZINC000714729241 800128782 /nfs/dbraw/zinc/12/87/82/800128782.db2.gz JGXRVKZXRHYWMH-HIFPTAJRSA-N 1 0 263.381 3.486 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](C)CC2(C)OCCO2)c1 ZINC000715998981 800158706 /nfs/dbraw/zinc/15/87/06/800158706.db2.gz OLZVGDFSAWUUFL-KGLIPLIRSA-N 1 0 293.407 3.140 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1CCN1Cc1ccccc1)c1ccccc1O ZINC000716230463 800165948 /nfs/dbraw/zinc/16/59/48/800165948.db2.gz RAHWDHWQXSTUQS-RDJZCZTQSA-N 1 0 296.414 3.317 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]CC[C@H]2CCC3(CCC3)O2)c1 ZINC000717115140 800193732 /nfs/dbraw/zinc/19/37/32/800193732.db2.gz RUHGQMXSKINZRR-OAHLLOKOSA-N 1 0 275.392 3.282 20 10 CGCDRO CCOc1cccc(C[NH2+]C2CCC=CCC2)c1O ZINC000718082267 800211497 /nfs/dbraw/zinc/21/14/97/800211497.db2.gz JNVWDUOCTCVFBA-UHFFFAOYSA-N 1 0 261.365 3.379 20 10 CGCDRO CO[C@H]1CCC[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)CC1 ZINC000718856330 800225958 /nfs/dbraw/zinc/22/59/58/800225958.db2.gz CCUFQEBOCMZPRA-WBVHZDCISA-N 1 0 276.424 3.190 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](CCO)C2CCCC2)c1 ZINC000725070885 800371057 /nfs/dbraw/zinc/37/10/57/800371057.db2.gz OAHGLKZMMKGOKW-BBRMVZONSA-N 1 0 277.408 3.292 20 10 CGCDRO C[C@H](Cc1ccncc1)[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC001256748587 806971264 /nfs/dbraw/zinc/97/12/64/806971264.db2.gz NRDZZIUKBYSXBQ-OAHLLOKOSA-N 1 0 283.419 3.211 20 10 CGCDRO Oc1c(Cl)cc(Cl)cc1Nc1cc[nH+]cc1 ZINC001173883846 808738909 /nfs/dbraw/zinc/73/89/09/808738909.db2.gz WZRFIUQUXRMQHY-UHFFFAOYSA-N 1 0 255.104 3.260 20 10 CGCDRO Fc1cc(C[NH2+]Cc2ccc(N3CCCC3)cc2)ccn1 ZINC001118927364 802618901 /nfs/dbraw/zinc/61/89/01/802618901.db2.gz NXWYGTWAXOBXRM-UHFFFAOYSA-N 1 0 285.366 3.111 20 10 CGCDRO Cc1nc2c(s1)[C@@H]([NH2+]Cc1cc(F)ccc1O)CCC2 ZINC001180302099 809991522 /nfs/dbraw/zinc/99/15/22/809991522.db2.gz SYJHOTMRLRWNOA-LBPRGKRZSA-N 1 0 292.379 3.463 20 10 CGCDRO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(N)cc1 ZINC001120371331 802742527 /nfs/dbraw/zinc/74/25/27/802742527.db2.gz VVDDQVHHEVSPRS-SKDRFNHKSA-N 1 0 258.287 3.042 20 10 CGCDRO Nc1ccc(C[N@@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)cc1 ZINC001120371428 802742735 /nfs/dbraw/zinc/74/27/35/802742735.db2.gz YMYRODZBFWEKML-INIZCTEOSA-N 1 0 284.378 3.473 20 10 CGCDRO CCCOc1ccc(-c2[nH+]ccc3c2ccn3C)cn1 ZINC001245230063 803669437 /nfs/dbraw/zinc/66/94/37/803669437.db2.gz YBKPJMBKPJGXGO-UHFFFAOYSA-N 1 0 267.332 3.424 20 10 CGCDRO O=C(c1ccccc1)[C@@H]1CC[N@@H+](Cc2c([O-])cccc2F)C1 ZINC001137841691 803780219 /nfs/dbraw/zinc/78/02/19/803780219.db2.gz QFSAPVYXKPLRDP-CQSZACIVSA-N 1 0 299.345 3.236 20 10 CGCDRO Cc1cc(C[N@H+]2CC[C@H](O)C[C@@H]2C)c(C)n1-c1ccccc1 ZINC001137858178 803785603 /nfs/dbraw/zinc/78/56/03/803785603.db2.gz ZNWODWVINPJADP-LIRRHRJNSA-N 1 0 298.430 3.439 20 10 CGCDRO Cc1cc(CN2CCO[C@H](C)C2)c(C)n1-c1ccccc1 ZINC001137856151 803785798 /nfs/dbraw/zinc/78/57/98/803785798.db2.gz RWVUGIQPUYVXNX-OAHLLOKOSA-N 1 0 284.403 3.315 20 10 CGCDRO COC[C@H]1CCCC[N@@H+]1Cc1c(C)n(C)c2ccccc21 ZINC001138252344 803879927 /nfs/dbraw/zinc/87/99/27/803879927.db2.gz CUZFYCJFILCWEW-OAHLLOKOSA-N 1 0 286.419 3.488 20 10 CGCDRO Cc1c(C[N@@H+]2CC[C@@](C)(O)[C@@H](C)C2)c2ccccc2n1C ZINC001138252472 803880401 /nfs/dbraw/zinc/88/04/01/803880401.db2.gz IBGQEUQJNHGZJC-SCLBCKFNSA-N 1 0 286.419 3.080 20 10 CGCDRO Cc1c(C[NH+]2CCSCC2)c2ccccc2n1C ZINC001138253892 803882304 /nfs/dbraw/zinc/88/23/04/803882304.db2.gz KABCQWSUURUHKQ-UHFFFAOYSA-N 1 0 260.406 3.036 20 10 CGCDRO CO[C@H]1CCC[N@H+](Cc2c(C)n(C)c3ccccc32)C1 ZINC001138252680 803882768 /nfs/dbraw/zinc/88/27/68/803882768.db2.gz PTLJGUQQVQRDCW-AWEZNQCLSA-N 1 0 272.392 3.098 20 10 CGCDRO COC[C@@H]1CCCC[N@@H+]1Cc1ccc2c(c1)CCCN2C ZINC001138354971 803900942 /nfs/dbraw/zinc/90/09/42/803900942.db2.gz XDMPJQVQUQMJGP-KRWDZBQOSA-N 1 0 288.435 3.070 20 10 CGCDRO CC[N@H+](Cc1cn2c(cccc2F)n1)Cc1ccccc1O ZINC001139573585 804212970 /nfs/dbraw/zinc/21/29/70/804212970.db2.gz GYYLCBMVMZSFPC-UHFFFAOYSA-N 1 0 299.349 3.201 20 10 CGCDRO Cc1cc(C[NH+]2C[C@@H]3CCC[C@H]3C2)ccc1N(C)C ZINC001139669959 804247516 /nfs/dbraw/zinc/24/75/16/804247516.db2.gz RMSUKVPAAXYRBR-HOTGVXAUSA-N 1 0 258.409 3.293 20 10 CGCDRO CCC[N@H+](Cc1ccc(N(C)C)c(C)c1)C1CCOCC1 ZINC001139674164 804248001 /nfs/dbraw/zinc/24/80/01/804248001.db2.gz SFEFWRSYNWNXPC-UHFFFAOYSA-N 1 0 290.451 3.452 20 10 CGCDRO Oc1cccc(Br)c1C[N@@H+]1CCC[C@@H]2C[C@@H]21 ZINC001140103957 804377189 /nfs/dbraw/zinc/37/71/89/804377189.db2.gz VNSNPTYKTMHQHT-SKDRFNHKSA-N 1 0 282.181 3.139 20 10 CGCDRO CO[C@@H]1CCC[N@H+](Cc2c(C)ccc(C)c2O)CC1 ZINC001140181447 804397272 /nfs/dbraw/zinc/39/72/72/804397272.db2.gz BQEBVKZNGGNODH-CQSZACIVSA-N 1 0 263.381 3.010 20 10 CGCDRO Oc1cc(Cl)ccc1CN1CCC([NH+]2CCCC2)CC1 ZINC001140461046 804442038 /nfs/dbraw/zinc/44/20/38/804442038.db2.gz CIHCHAKXHUWCDD-UHFFFAOYSA-N 1 0 294.826 3.106 20 10 CGCDRO Oc1cc(Cl)ccc1C[NH+]1CC(c2cccnc2)C1 ZINC001140465064 804443168 /nfs/dbraw/zinc/44/31/68/804443168.db2.gz GYWBTPKZPSALSB-UHFFFAOYSA-N 1 0 274.751 3.040 20 10 CGCDRO Cc1cc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)ccc1O ZINC001140576227 804464440 /nfs/dbraw/zinc/46/44/40/804464440.db2.gz MGXQAIXSTGPGBB-UHFFFAOYSA-N 1 0 284.403 3.399 20 10 CGCDRO Cc1ccc(O)c(CN2CC[C@@H](C)C(F)(F)C2)c1 ZINC001140619993 804476783 /nfs/dbraw/zinc/47/67/83/804476783.db2.gz YMPBVQNKMXPJPK-LLVKDONJSA-N 1 0 255.308 3.178 20 10 CGCDRO Cc1ccc(O)c(C[N@H+](C)Cc2cccnc2C)c1 ZINC001140623864 804477895 /nfs/dbraw/zinc/47/78/95/804477895.db2.gz VMVGQLMVVLZZOA-UHFFFAOYSA-N 1 0 256.349 3.036 20 10 CGCDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@@H]2Cc2ccccn2)c1O ZINC001140745953 804503357 /nfs/dbraw/zinc/50/33/57/804503357.db2.gz QSPQCRHXMKBGEP-MRXNPFEDSA-N 1 0 298.386 3.008 20 10 CGCDRO Cc1c(O)ccc(C[N@@H+]2CCCC3(CCC3)C2)c1O ZINC001140750042 804505166 /nfs/dbraw/zinc/50/51/66/804505166.db2.gz UDFQMDFGMRUVBV-UHFFFAOYSA-N 1 0 261.365 3.172 20 10 CGCDRO CN(Cc1ccccc1O)[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256924427 807013222 /nfs/dbraw/zinc/01/32/22/807013222.db2.gz XBALWPIFOZAMSZ-KRWDZBQOSA-N 1 0 288.435 3.231 20 10 CGCDRO C[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2Cl)C1 ZINC001140921304 804549566 /nfs/dbraw/zinc/54/95/66/804549566.db2.gz APUPOQKVPQBVNU-NSHDSACASA-N 1 0 252.789 3.248 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCCC(F)(F)[C@@H](F)C2)c(O)c1 ZINC001140948197 804556118 /nfs/dbraw/zinc/55/61/18/804556118.db2.gz XWLRCSGURFBRBF-ZDUSSCGKSA-N 1 0 273.298 3.270 20 10 CGCDRO c1c(C[N@@H+]2C[C@H]3CC[C@@H]2C3)cc2c3c1CCCN3CCC2 ZINC001141078442 804584995 /nfs/dbraw/zinc/58/49/95/804584995.db2.gz WAHHBNYCCWDQOW-KBXCAEBGSA-N 1 0 282.431 3.370 20 10 CGCDRO CN1CCOc2cc(C[N@@H+]3CC[C@H]4CCC[C@H]4C3)ccc21 ZINC001141142088 804596614 /nfs/dbraw/zinc/59/66/14/804596614.db2.gz FEPXHYBJMYVELK-CVEARBPZSA-N 1 0 286.419 3.137 20 10 CGCDRO Oc1ccc(O)c(C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)c1 ZINC001141160016 804599441 /nfs/dbraw/zinc/59/94/41/804599441.db2.gz PHXUPJFHEWWNJK-SWLSCSKDSA-N 1 0 261.365 3.252 20 10 CGCDRO COc1cccc([C@H]2CC[N@H+](Cc3cc(O)ccc3O)C2)c1 ZINC001141162196 804602032 /nfs/dbraw/zinc/60/20/32/804602032.db2.gz MFFKXPBAOWMBAM-AWEZNQCLSA-N 1 0 299.370 3.096 20 10 CGCDRO CCN1CCC[N@H+](Cc2cccc(C(C)(C)C)c2O)CC1 ZINC001143103854 804801447 /nfs/dbraw/zinc/80/14/47/804801447.db2.gz LUBJTXUNKDUOSD-UHFFFAOYSA-N 1 0 290.451 3.217 20 10 CGCDRO C[C@@H]1CC[C@H](CO)C[N@@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001143104003 804801498 /nfs/dbraw/zinc/80/14/98/804801498.db2.gz NZEDGZZFIRCCCV-KGLIPLIRSA-N 1 0 291.435 3.283 20 10 CGCDRO CC(C)(C)c1cccc(C[N@@H+]2CCCC[C@H]2CO)c1O ZINC001143101909 804801758 /nfs/dbraw/zinc/80/17/58/804801758.db2.gz OUHZPTUPINGHJJ-AWEZNQCLSA-N 1 0 277.408 3.037 20 10 CGCDRO C[C@H]1CCC[N@H+](Cc2cccc(C(C)(C)C)c2O)[C@H]1CO ZINC001143103530 804802237 /nfs/dbraw/zinc/80/22/37/804802237.db2.gz FISLURWXWAONBZ-BBRMVZONSA-N 1 0 291.435 3.283 20 10 CGCDRO CCC(CC)[NH+]1CCN(c2ccc(OC)cc2OC)CC1 ZINC001257302537 807096231 /nfs/dbraw/zinc/09/62/31/807096231.db2.gz YADVCVGKCVMSEM-UHFFFAOYSA-N 1 0 292.423 3.014 20 10 CGCDRO CC(C)=CCC[C@@H](C)[NH2+]CCc1cc(O)c(O)cc1O ZINC001258075947 807294250 /nfs/dbraw/zinc/29/42/50/807294250.db2.gz HKMBEURNGOEDQP-GFCCVEGCSA-N 1 0 279.380 3.070 20 10 CGCDRO CCCCC[C@@H](CC)[NH2+]CCc1cc(O)c(O)cc1O ZINC001258428359 807446907 /nfs/dbraw/zinc/44/69/07/807446907.db2.gz NYNRVNVARBRLDS-CYBMUJFWSA-N 1 0 281.396 3.294 20 10 CGCDRO COc1ccc(N2CC[NH+]([C@H](C)CC3CC3)CC2)cc1 ZINC001258458147 807463314 /nfs/dbraw/zinc/46/33/14/807463314.db2.gz QMISYNWDTKHEIA-CQSZACIVSA-N 1 0 274.408 3.006 20 10 CGCDRO C[C@@H](CC1CC1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC001258462406 807465394 /nfs/dbraw/zinc/46/53/94/807465394.db2.gz JKLIDBCYYZYJBK-HNNXBMFYSA-N 1 0 288.435 3.144 20 10 CGCDRO CC[C@@H](C)C[C@@H](CC)[NH2+]Cc1ccc(O)c(O)c1 ZINC001258782322 807609730 /nfs/dbraw/zinc/60/97/30/807609730.db2.gz OAGGKBPJDVSPGS-DGCLKSJQSA-N 1 0 251.370 3.402 20 10 CGCDRO Cc1c([C@H](C)[NH2+][C@@H](C)c2ccc(Cl)cc2O)cnn1C ZINC001261374674 807740374 /nfs/dbraw/zinc/74/03/74/807740374.db2.gz QJWSFOOTMYBHRV-UWVGGRQHSA-N 1 0 293.798 3.499 20 10 CGCDRO C[C@H]1CC[C@@H]([N@@H+]2CCCc3cc(O)c(O)cc3C2)C1 ZINC001170147619 807774677 /nfs/dbraw/zinc/77/46/77/807774677.db2.gz DFWOMHGQJISLMO-SMDDNHRTSA-N 1 0 261.365 3.035 20 10 CGCDRO CC[C@H](CSC)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001261788126 807788132 /nfs/dbraw/zinc/78/81/32/807788132.db2.gz MNWIOXKICUYRQQ-LLVKDONJSA-N 1 0 288.407 3.262 20 10 CGCDRO CC[C@H]1C[C@H]([N@H+](CC)Cc2ccccc2O)CCO1 ZINC001170235218 807799999 /nfs/dbraw/zinc/79/99/99/807799999.db2.gz KUYJVHGPZPPKIU-CABCVRRESA-N 1 0 263.381 3.172 20 10 CGCDRO CC[C@@H](C)OCC[C@@H](C)[N@H+](C)Cc1ccccc1O ZINC001172352764 808249742 /nfs/dbraw/zinc/24/97/42/808249742.db2.gz JEROFASBMYNGSV-ZIAGYGMSSA-N 1 0 265.397 3.418 20 10 CGCDRO CC(C)OCC[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC001172443476 808318539 /nfs/dbraw/zinc/31/85/39/808318539.db2.gz PRKISCHJEBSGMX-AWEZNQCLSA-N 1 0 264.413 3.046 20 10 CGCDRO CC(C)COCC[C@H](C)[NH2+][C@H](C)c1ccccc1O ZINC001172460699 808331112 /nfs/dbraw/zinc/33/11/12/808331112.db2.gz UGOKYQHCMPSELV-UONOGXRCSA-N 1 0 265.397 3.494 20 10 CGCDRO CCc1ccc(C[C@H](C)[NH2+]Cc2ccc(O)c(O)c2)cc1 ZINC001173241059 808549277 /nfs/dbraw/zinc/54/92/77/808549277.db2.gz FQJDKJZNEYOHSO-ZDUSSCGKSA-N 1 0 285.387 3.381 20 10 CGCDRO CC[C@@H]1CC[C@H]([N@@H+]2CCCc3cc(O)c(O)cc3C2)C1 ZINC001173291365 808590951 /nfs/dbraw/zinc/59/09/51/808590951.db2.gz AVIFSQSZVAHYAW-DOMZBBRYSA-N 1 0 275.392 3.425 20 10 CGCDRO Cc1cc(C[N@@H+]2CCCC[C@]23CCOC3)ccc1N(C)C ZINC001176977698 809772316 /nfs/dbraw/zinc/77/23/16/809772316.db2.gz NLZNOXUROISGKY-GOSISDBHSA-N 1 0 288.435 3.206 20 10 CGCDRO CO[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001179086603 809903918 /nfs/dbraw/zinc/90/39/18/809903918.db2.gz SSIGLQGQAQVXJK-QZTJIDSGSA-N 1 0 288.435 3.334 20 10 CGCDRO COc1cc(C)c(CNc2ccc3c([nH+]2)CCC3)c(O)c1 ZINC001181827297 810075119 /nfs/dbraw/zinc/07/51/19/810075119.db2.gz JORVQRJKPPGUOH-UHFFFAOYSA-N 1 0 284.359 3.205 20 10 CGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)c1 ZINC001182273024 810100587 /nfs/dbraw/zinc/10/05/87/810100587.db2.gz ZDCJGZOPWBRAFS-ZBFHGGJFSA-N 1 0 275.392 3.126 20 10 CGCDRO CCCOc1ccc(C[NH2+]CC[C@@H](C)OC)cc1C ZINC001202474554 812102066 /nfs/dbraw/zinc/10/20/66/812102066.db2.gz FTPLUYUOBNMSPX-CQSZACIVSA-N 1 0 265.397 3.298 20 10 CGCDRO FC(F)(F)[C@@H]1C[C@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001203452008 812362170 /nfs/dbraw/zinc/36/21/70/812362170.db2.gz HHLHPZGGLNFKOF-ZIAGYGMSSA-N 1 0 284.325 3.327 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CC[C@@H](Oc2ccc(F)cc2)C1 ZINC001203556419 812390153 /nfs/dbraw/zinc/39/01/53/812390153.db2.gz PJTLBRWYBHMVOL-MRXNPFEDSA-N 1 0 287.334 3.185 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CC[C@](CF)(C(F)(F)F)C1 ZINC001203549939 812390866 /nfs/dbraw/zinc/39/08/66/812390866.db2.gz DKRHYRXXNCKINB-GFCCVEGCSA-N 1 0 277.261 3.116 20 10 CGCDRO Oc1ccccc1C[NH+]1CCC2(CC[C@@H](F)C2)CC1 ZINC001203558708 812393498 /nfs/dbraw/zinc/39/34/98/812393498.db2.gz XFVYSYOZHXPYTC-CQSZACIVSA-N 1 0 263.356 3.496 20 10 CGCDRO CC1CC([N@H+](C)Cc2cc(Br)ccc2O)C1 ZINC001203635880 812412072 /nfs/dbraw/zinc/41/20/72/812412072.db2.gz JSXUCPRRDHXTSH-UHFFFAOYSA-N 1 0 284.197 3.385 20 10 CGCDRO COc1ccc(C[N@@H+]2CCC[C@H]2c2ccncc2)c(O)c1 ZINC001203630367 812412487 /nfs/dbraw/zinc/41/24/87/812412487.db2.gz QYLGQXPEPHJSRE-INIZCTEOSA-N 1 0 284.359 3.133 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@H]2CCCO[C@@H]2C1 ZINC001203651758 812416205 /nfs/dbraw/zinc/41/62/05/812416205.db2.gz UATVJYVAXSAOOP-IAQYHMDHSA-N 1 0 281.783 3.047 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC(=O)[C@@H]3CCCC[C@@H]32)cc1 ZINC001203930551 812494568 /nfs/dbraw/zinc/49/45/68/812494568.db2.gz YIAYDIKBOGBNDQ-SJORKVTESA-N 1 0 286.419 3.086 20 10 CGCDRO COCC[C@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC001203934662 812496039 /nfs/dbraw/zinc/49/60/39/812496039.db2.gz YWJDUUZVMPFMBH-QGZVFWFLSA-N 1 0 276.424 3.144 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2Cc2ccccn2)cc1 ZINC001203934299 812496269 /nfs/dbraw/zinc/49/62/69/812496269.db2.gz PHRZBTWRCJAMSF-LJQANCHMSA-N 1 0 295.430 3.355 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCc3ccncc3C2)cc1 ZINC001203942432 812497504 /nfs/dbraw/zinc/49/75/04/812497504.db2.gz QJCKPVIKUQYQKI-UHFFFAOYSA-N 1 0 295.430 3.486 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@H](O)C2)c2ccccc21 ZINC001204232772 812580084 /nfs/dbraw/zinc/58/00/84/812580084.db2.gz JGWYDYHJMANFEX-INIZCTEOSA-N 1 0 298.430 3.253 20 10 CGCDRO Oc1ccc(C[N@@H+]2CCCC[C@H]2c2cccnc2)c(O)c1 ZINC001204274705 812592404 /nfs/dbraw/zinc/59/24/04/812592404.db2.gz GYZDINTUYQGFTE-INIZCTEOSA-N 1 0 284.359 3.220 20 10 CGCDRO Oc1ccc(C[N@@H+]2CC[C@@H]2c2ccccc2)c(O)c1 ZINC001204278904 812594011 /nfs/dbraw/zinc/59/40/11/812594011.db2.gz MMQFPBURUVNLHQ-OAHLLOKOSA-N 1 0 255.317 3.045 20 10 CGCDRO CC[N@H+](Cc1ccc(O)cc1O)Cc1cccc(F)c1F ZINC001204277248 812594341 /nfs/dbraw/zinc/59/43/41/812594341.db2.gz AHSSVQLIYBVRAX-UHFFFAOYSA-N 1 0 293.313 3.398 20 10 CGCDRO CC(=O)[C@H]1CCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204322224 812613144 /nfs/dbraw/zinc/61/31/44/812613144.db2.gz QCHZNHOWVKPOJN-KRWDZBQOSA-N 1 0 286.419 3.088 20 10 CGCDRO c1cc(N2CCCC2)ccc1C[NH+]1C2CCC1CC2 ZINC001204326482 812614695 /nfs/dbraw/zinc/61/46/95/812614695.db2.gz IKTASFKYQLAXHW-UHFFFAOYSA-N 1 0 256.393 3.414 20 10 CGCDRO CC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001204328297 812614864 /nfs/dbraw/zinc/61/48/64/812614864.db2.gz GHGVJMNNYCIMKT-GOSISDBHSA-N 1 0 286.419 3.230 20 10 CGCDRO CC[N@H+](Cc1ccncc1)Cc1c(C)cc(OC)cc1O ZINC001205706284 813057974 /nfs/dbraw/zinc/05/79/74/813057974.db2.gz CRAIDGGHJXSSGY-UHFFFAOYSA-N 1 0 286.375 3.126 20 10 CGCDRO C[C@@H]1CC[C@@H](CN)[N@H+](Cc2ccc(C(C)(C)C)cc2O)C1 ZINC001205841831 813104547 /nfs/dbraw/zinc/10/45/47/813104547.db2.gz LJAOBMZBDSQMAA-CJNGLKHVSA-N 1 0 290.451 3.249 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](CCO)C1CCCC1 ZINC001207676217 813632900 /nfs/dbraw/zinc/63/29/00/813632900.db2.gz XKJDKUBRLYTVQK-GOSISDBHSA-N 1 0 290.451 3.092 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(C[N@H+]2C[C@H](O)C[C@H]2C)cc1 ZINC001209516656 814070869 /nfs/dbraw/zinc/07/08/69/814070869.db2.gz LEYKPXCOBVSXJG-CRAIPNDOSA-N 1 0 284.403 3.049 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(C[N@H+]2C[C@H](O)CC[C@H]2C)cc1 ZINC001209516857 814071578 /nfs/dbraw/zinc/07/15/78/814071578.db2.gz QVNPKHCBHIKUHK-AUUYWEPGSA-N 1 0 298.430 3.439 20 10 CGCDRO Cc1cc(CN2CC[NH2+][C@H](C)CC2)c(C)n1-c1ccccc1 ZINC001210474619 814478824 /nfs/dbraw/zinc/47/88/24/814478824.db2.gz HIEJHGXQZSQGCX-OAHLLOKOSA-N 1 0 297.446 3.278 20 10 CGCDRO CN(c1ccc(N)cc1)C1=CC[C@@H]([NH+]2CCCC2)CC1 ZINC001210714722 814594964 /nfs/dbraw/zinc/59/49/64/814594964.db2.gz ZAUDCWWFCMNVQI-QGZVFWFLSA-N 1 0 271.408 3.237 20 10 CGCDRO CC(C)[C@@](C)([NH3+])c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001217732866 815951294 /nfs/dbraw/zinc/95/12/94/815951294.db2.gz IGUOMINZDQMIPP-QGZVFWFLSA-N 1 0 296.374 3.357 20 10 CGCDRO C[C@H]1CC[C@@H](Oc2ccc(N3CC[NH2+]CC3)cc2)CC1 ZINC001218354530 816176276 /nfs/dbraw/zinc/17/62/76/816176276.db2.gz ARNOYUHDFNFVEA-FZNQNYSPSA-N 1 0 274.408 3.054 20 10 CGCDRO Oc1ccc(Cl)cc1CN1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222385706 816427267 /nfs/dbraw/zinc/42/72/67/816427267.db2.gz UUVMXWLIUNRINC-MRXNPFEDSA-N 1 0 294.826 3.154 20 10 CGCDRO C[C@H]1C[N@H+](Cc2c(O)ccc3ccccc32)CCCC1=O ZINC001231587540 818129277 /nfs/dbraw/zinc/12/92/77/818129277.db2.gz FCNIYPWEFASTFS-ZDUSSCGKSA-N 1 0 283.371 3.346 20 10 CGCDRO Oc1ccc2ccccc2c1C[N@@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001231587334 818130412 /nfs/dbraw/zinc/13/04/12/818130412.db2.gz AHPIPPWWDPYQGU-HEHGZKQESA-N 1 0 271.335 3.478 20 10 CGCDRO Cc1cccc(C[N@H+]2CCN(C)[C@@H](c3ccccc3)C2)c1O ZINC001231593907 818131232 /nfs/dbraw/zinc/13/12/32/818131232.db2.gz WQAZIENZHLLUQB-GOSISDBHSA-N 1 0 296.414 3.189 20 10 CGCDRO O=C1CCC[C@H]2C[N@@H+](Cc3c(O)ccc4ccccc43)C[C@@H]12 ZINC001231590628 818131982 /nfs/dbraw/zinc/13/19/82/818131982.db2.gz CITMIYAYXJSUMV-GOEBONIOSA-N 1 0 295.382 3.346 20 10 CGCDRO Cc1cccc(C[N@@H+]2CC[C@@H](OCc3ccccc3)C2)c1O ZINC001231593426 818132477 /nfs/dbraw/zinc/13/24/77/818132477.db2.gz XQXDEYFVGFPEHX-GOSISDBHSA-N 1 0 297.398 3.492 20 10 CGCDRO CCc1ccc(C[N@@H+](CC)Cc2ccccc2O)nc1 ZINC001231642513 818145044 /nfs/dbraw/zinc/14/50/44/818145044.db2.gz ZVGHDBBIXZBDCW-UHFFFAOYSA-N 1 0 270.376 3.372 20 10 CGCDRO Cc1cc(C)c(C[NH+]2CC(Oc3ccccc3)C2)c(O)c1 ZINC001231843811 818185589 /nfs/dbraw/zinc/18/55/89/818185589.db2.gz BIAOSYREBUXQET-UHFFFAOYSA-N 1 0 283.371 3.272 20 10 CGCDRO Cc1cc(C)c(C[N@H+](C)CCc2ccccn2)c(O)c1 ZINC001231842341 818186373 /nfs/dbraw/zinc/18/63/73/818186373.db2.gz QAOYCHUICOBFFA-UHFFFAOYSA-N 1 0 270.376 3.079 20 10 CGCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC001231849222 818189060 /nfs/dbraw/zinc/18/90/60/818189060.db2.gz OWBFSORFTPVWGI-LBPRGKRZSA-N 1 0 298.377 3.238 20 10 CGCDRO Cc1cc(O)c(CN2CCC([NH+]3CCC3)CC2)cc1Cl ZINC001231871514 818193563 /nfs/dbraw/zinc/19/35/63/818193563.db2.gz MKCHWZKPKPLOHT-UHFFFAOYSA-N 1 0 294.826 3.024 20 10 CGCDRO CC[NH+](CC)[C@@H]1CCN(Cc2cc(Cl)c(C)cc2O)C1 ZINC001231870581 818194744 /nfs/dbraw/zinc/19/47/44/818194744.db2.gz KIVKWPXXNCRQOK-CQSZACIVSA-N 1 0 296.842 3.270 20 10 CGCDRO Oc1c(C[N@@H+]2CCCC3(COC3)C2)ccc2ccccc21 ZINC001231879829 818199345 /nfs/dbraw/zinc/19/93/45/818199345.db2.gz RHWPSKHGHPTDQI-UHFFFAOYSA-N 1 0 283.371 3.158 20 10 CGCDRO CC[N@H+](CCN1CCCC1)Cc1ccc2ccccc2c1O ZINC001231882628 818201400 /nfs/dbraw/zinc/20/14/00/818201400.db2.gz QLQNCHMYQIJCFW-UHFFFAOYSA-N 1 0 298.430 3.463 20 10 CGCDRO O=C1CCC[C@H]2C[N@@H+](Cc3ccc4ccccc4c3O)C[C@@H]12 ZINC001231883177 818201809 /nfs/dbraw/zinc/20/18/09/818201809.db2.gz HAUPDBDYVGRNKC-WMLDXEAASA-N 1 0 295.382 3.346 20 10 CGCDRO CCCCC[N@H+](C)Cc1cc(Cl)c(O)cc1O ZINC001232259448 818296420 /nfs/dbraw/zinc/29/64/20/818296420.db2.gz YEDWKNYDCVCNNS-UHFFFAOYSA-N 1 0 257.761 3.373 20 10 CGCDRO CCO[C@@H]1CCC[N@H+](Cc2cc(Cl)c(OC)cc2O)C1 ZINC001232264962 818296940 /nfs/dbraw/zinc/29/69/40/818296940.db2.gz PREIMWVNHSZYPP-GFCCVEGCSA-N 1 0 299.798 3.055 20 10 CGCDRO CC[C@H]1CCC[N@@H+]1Cc1cc(Cl)c(O)cc1O ZINC001232267004 818297930 /nfs/dbraw/zinc/29/79/30/818297930.db2.gz HLPYAJJUCFUTTR-JTQLQIEISA-N 1 0 255.745 3.126 20 10 CGCDRO C[N@@H+](Cc1cc(Cl)c(O)cc1O)C[C@@H]1CC1(C)C ZINC001232262442 818298219 /nfs/dbraw/zinc/29/82/19/818298219.db2.gz HUBNKRFBOPJRAG-JTQLQIEISA-N 1 0 269.772 3.229 20 10 CGCDRO CC1(C)CN(Cc2cc(Cl)c(O)cc2O)CC(C)(C)O1 ZINC001232263406 818298682 /nfs/dbraw/zinc/29/86/82/818298682.db2.gz QEXKUHMHFGUCTE-UHFFFAOYSA-N 1 0 299.798 3.141 20 10 CGCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1O)CC1CC1 ZINC001232838794 818452940 /nfs/dbraw/zinc/45/29/40/818452940.db2.gz JLPIEWQSIPBRPI-UHFFFAOYSA-N 1 0 262.397 3.079 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC3(CCCC3)C2)c(O)c1 ZINC001232839189 818453090 /nfs/dbraw/zinc/45/30/90/818453090.db2.gz NAGHOKVVEJLPMB-UHFFFAOYSA-N 1 0 274.408 3.224 20 10 CGCDRO C[C@H]1C[N@H+](Cc2cc(C(C)(C)C)ccc2O)CCC[C@H]1O ZINC001233283899 818565689 /nfs/dbraw/zinc/56/56/89/818565689.db2.gz AAJSTIHPAKYYTO-XJKSGUPXSA-N 1 0 291.435 3.283 20 10 CGCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CC[C@]23CCOC3)c1 ZINC001233286799 818568368 /nfs/dbraw/zinc/56/83/68/818568368.db2.gz IZTHWNFIMUAQCM-QGZVFWFLSA-N 1 0 275.392 3.055 20 10 CGCDRO COc1cc(Cl)cc(C[NH+]2CC3(CCC3)C2)c1O ZINC001233287780 818570372 /nfs/dbraw/zinc/57/03/72/818570372.db2.gz HJDIZWBWLFWMBU-UHFFFAOYSA-N 1 0 267.756 3.040 20 10 CGCDRO CC(C)(C)c1ccc(O)c(C[NH+]2CC(C(F)F)C2)c1 ZINC001233287331 818571151 /nfs/dbraw/zinc/57/11/51/818571151.db2.gz KEAWHPNSGXNBRA-UHFFFAOYSA-N 1 0 269.335 3.387 20 10 CGCDRO C[C@H]1CCC[N@@H+]1Cc1ccc(C(F)(F)F)cc1O ZINC001233451433 818623200 /nfs/dbraw/zinc/62/32/00/818623200.db2.gz KJZMVTUTBUGMAH-VIFPVBQESA-N 1 0 259.271 3.395 20 10 CGCDRO Oc1c(C[NH+]2CCC(O)CC2)cccc1-c1ccccc1 ZINC001234993592 818972638 /nfs/dbraw/zinc/97/26/38/818972638.db2.gz ZIIVWUHGOVYBFN-UHFFFAOYSA-N 1 0 283.371 3.016 20 10 CGCDRO Oc1c(CN2CC3(CCO3)C2)cccc1-c1ccccc1 ZINC001234997097 818972995 /nfs/dbraw/zinc/97/29/95/818972995.db2.gz SGDAPACKQBLAKP-UHFFFAOYSA-N 1 0 281.355 3.034 20 10 CGCDRO Oc1c(C[N@@H+]2CC[C@H]3OCC[C@H]32)cccc1-c1ccccc1 ZINC001235003036 818977149 /nfs/dbraw/zinc/97/71/49/818977149.db2.gz SKMHWNGOTHEVQZ-QZTJIDSGSA-N 1 0 295.382 3.422 20 10 CGCDRO CC(C)[C@@H]1C[NH2+]CCN1Cc1cccc(C(C)(C)C)c1O ZINC001235456200 819103662 /nfs/dbraw/zinc/10/36/62/819103662.db2.gz JZLJMEBVCBMKFN-INIZCTEOSA-N 1 0 290.451 3.120 20 10 CGCDRO Cc1cc(C[N@H+](C)C[C@@H]2CC[NH2+]C2)c(C)n1-c1ccccc1 ZINC001235843176 819184561 /nfs/dbraw/zinc/18/45/61/819184561.db2.gz XCPNHGKHABMNBX-QGZVFWFLSA-N 1 0 297.446 3.135 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(CN2C[C@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001235976988 819256502 /nfs/dbraw/zinc/25/65/02/819256502.db2.gz DWEGXKXHOSOFDN-IEBWSBKVSA-N 1 0 295.430 3.017 20 10 CGCDRO CN(Cc1ccc(C(C)(C)C)cc1O)[C@]1(C)CCC[NH2+]C1 ZINC001236207035 819368777 /nfs/dbraw/zinc/36/87/77/819368777.db2.gz NBRYNAYPGABNBZ-GOSISDBHSA-N 1 0 290.451 3.264 20 10 CGCDRO Cc1cc(O)c(CN2CCC[C@H]([NH2+]C3CC3)C2)cc1Cl ZINC001236224153 819389062 /nfs/dbraw/zinc/38/90/62/819389062.db2.gz SCDDGXHFDOXTGJ-AWEZNQCLSA-N 1 0 294.826 3.070 20 10 CGCDRO Nc1ccc(CN(Cc2ccccc2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236269895 819411934 /nfs/dbraw/zinc/41/19/34/819411934.db2.gz IZZLKCXCMXTVAW-LJQANCHMSA-N 1 0 295.430 3.023 20 10 CGCDRO CCCN(Cc1cc(C(C)(C)C)ccc1O)[C@@H]1CC[NH2+]C1 ZINC001236324083 819425716 /nfs/dbraw/zinc/42/57/16/819425716.db2.gz NTFAMBCRAKXJST-MRXNPFEDSA-N 1 0 290.451 3.264 20 10 CGCDRO C[C@@H]1[C@H]([NH3+])CCCN1Cc1c(O)ccc(Cl)c1Cl ZINC001236417464 819463339 /nfs/dbraw/zinc/46/33/39/819463339.db2.gz DRTAZUJWDKPWGP-LDYMZIIASA-N 1 0 289.206 3.011 20 10 CGCDRO CCc1ccc(C[N@@H+]2CCOC3(CCCCC3)C2)c(O)c1 ZINC001236791761 819595737 /nfs/dbraw/zinc/59/57/37/819595737.db2.gz KFCZFMVOBSOHSP-UHFFFAOYSA-N 1 0 289.419 3.490 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](F)CC2)c(Cl)c1 ZINC001236797883 819598863 /nfs/dbraw/zinc/59/88/63/819598863.db2.gz JQNUQHUDNAUNOD-SNVBAGLBSA-N 1 0 287.762 3.378 20 10 CGCDRO COc1cc(O)c(C[NH+]2CCC3(CC3)CC2)c(Cl)c1 ZINC001236798238 819600681 /nfs/dbraw/zinc/60/06/81/819600681.db2.gz LYMYDNMRLKAXCM-UHFFFAOYSA-N 1 0 281.783 3.430 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CCC[C@H]2c2ccccn2)c(O)c1 ZINC001236812358 819604246 /nfs/dbraw/zinc/60/42/46/819604246.db2.gz CYRWXRUKCMQWTI-KRWDZBQOSA-N 1 0 298.386 3.441 20 10 CGCDRO CCCCC[N@H+](C)Cc1c(C)cc(OC)cc1O ZINC001236818643 819606271 /nfs/dbraw/zinc/60/62/71/819606271.db2.gz PYUATEAINJZYPU-UHFFFAOYSA-N 1 0 251.370 3.331 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2cc3ccccc3cc2O)CC[C@@]1(C)O ZINC001236825697 819608339 /nfs/dbraw/zinc/60/83/39/819608339.db2.gz CMJHYLNPASBJNK-FZKQIMNGSA-N 1 0 285.387 3.138 20 10 CGCDRO C[C@@H]1CCC[N@H+](Cc2cc3ccccc3cc2O)[C@@H]1CO ZINC001236827137 819610198 /nfs/dbraw/zinc/61/01/98/819610198.db2.gz PWJCHAWADCYVMP-CXAGYDPISA-N 1 0 285.387 3.138 20 10 CGCDRO CC[NH+](CC)[C@H]1CCN(Cc2cc3ccccc3cc2O)C1 ZINC001236833160 819613914 /nfs/dbraw/zinc/61/39/14/819613914.db2.gz OTEIOCNRLDBNJB-SFHVURJKSA-N 1 0 298.430 3.462 20 10 CGCDRO CC[N@H+](C)C1CCN(Cc2cc3ccccc3cc2O)CC1 ZINC001236837650 819616361 /nfs/dbraw/zinc/61/63/61/819616361.db2.gz SKKKYTRSDOHYGA-UHFFFAOYSA-N 1 0 298.430 3.462 20 10 CGCDRO CC(C)[N@H+](C)[C@@H]1CCN(Cc2cc3ccccc3cc2O)C1 ZINC001236838429 819616650 /nfs/dbraw/zinc/61/66/50/819616650.db2.gz YKDIIYAHTFYPTO-GOSISDBHSA-N 1 0 298.430 3.460 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236921411 819636150 /nfs/dbraw/zinc/63/61/50/819636150.db2.gz GELHSSIUEMBWFO-CYBMUJFWSA-N 1 0 294.826 3.018 20 10 CGCDRO C[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1Cl ZINC001236920492 819636272 /nfs/dbraw/zinc/63/62/72/819636272.db2.gz GYGGJAPJTLTUAG-CYBMUJFWSA-N 1 0 294.826 3.161 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2CC[C@H](C)[C@](C)(O)CC2)c(O)c1 ZINC001237047018 819649667 /nfs/dbraw/zinc/64/96/67/819649667.db2.gz YQNBHQDHOOGQJX-KBXCAEBGSA-N 1 0 291.435 3.499 20 10 CGCDRO COC[C@@H]1CCC[N@@H+]1Cc1ccc(C(C)C)cc1O ZINC001237046141 819649758 /nfs/dbraw/zinc/64/97/58/819649758.db2.gz QJIFMLDUZYKVNG-HNNXBMFYSA-N 1 0 263.381 3.126 20 10 CGCDRO CC(C)c1ccc(C[NH+]2CCC(F)CC2)c(O)c1 ZINC001237045360 819650556 /nfs/dbraw/zinc/65/05/56/819650556.db2.gz JOGYCDVMZMPELB-UHFFFAOYSA-N 1 0 251.345 3.450 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2CCCO[C@H](C)C2)c(O)c1 ZINC001237046635 819651152 /nfs/dbraw/zinc/65/11/52/819651152.db2.gz UKLNMDMMVLOYJY-CYBMUJFWSA-N 1 0 263.381 3.126 20 10 CGCDRO C[N@@H+](Cc1ccc(OCC(F)(F)F)cc1O)CC1CC1 ZINC001237050609 819652151 /nfs/dbraw/zinc/65/21/51/819652151.db2.gz CUUWJSGYHITHNS-UHFFFAOYSA-N 1 0 289.297 3.175 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)c(O)c1 ZINC001237048160 819652797 /nfs/dbraw/zinc/65/27/97/819652797.db2.gz BCQWGOZLPCKWBC-KKUMJFAQSA-N 1 0 263.356 3.305 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2CCO[C@H](C(C)C)C2)c(O)c1 ZINC001237056225 819654341 /nfs/dbraw/zinc/65/43/41/819654341.db2.gz VNBFMPJVBDQREA-KRWDZBQOSA-N 1 0 277.408 3.372 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)c(O)c1 ZINC001237054777 819655098 /nfs/dbraw/zinc/65/50/98/819655098.db2.gz GTKWJGIBOXRRAP-QKDCVEJESA-N 1 0 263.356 3.163 20 10 CGCDRO CSCC[N@H+](C)Cc1c(O)cccc1OC(F)(F)F ZINC001237114312 819671494 /nfs/dbraw/zinc/67/14/94/819671494.db2.gz JKGCUJCRVYBKSM-UHFFFAOYSA-N 1 0 295.326 3.086 20 10 CGCDRO C[N@@H+](Cc1c(O)ccc(F)c1Cl)CC1CCOCC1 ZINC001237122561 819672759 /nfs/dbraw/zinc/67/27/59/819672759.db2.gz VZSBJIWEBJEMCJ-UHFFFAOYSA-N 1 0 287.762 3.043 20 10 CGCDRO Cc1cc(Cl)cc(CN2CC[NH2+]C3=CCCC[C@@H]32)c1O ZINC001237229909 819706779 /nfs/dbraw/zinc/70/67/79/819706779.db2.gz QUEZXNQAEQQONY-HNNXBMFYSA-N 1 0 292.810 3.196 20 10 CGCDRO COc1ccc2c(c1)CC[N@@H+](Cc1c(C)cccc1O)C2 ZINC001237482357 819760441 /nfs/dbraw/zinc/76/04/41/819760441.db2.gz KNGMIMRTIQCBKY-UHFFFAOYSA-N 1 0 283.371 3.268 20 10 CGCDRO Cc1cccc(O)c1C[NH+]1CCC2(CCC(=O)CC2)CC1 ZINC001237493537 819764000 /nfs/dbraw/zinc/76/40/00/819764000.db2.gz ZZMCRXJHAKKBSP-UHFFFAOYSA-N 1 0 287.403 3.426 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCCC[C@@H]1CN1CCCC1 ZINC001237490607 819764317 /nfs/dbraw/zinc/76/43/17/819764317.db2.gz XJYFWBCOLLQFBZ-MRXNPFEDSA-N 1 0 288.435 3.151 20 10 CGCDRO COc1cc(C[N@@H+]2CCC[C@H](C)CC2)c(O)c(OC)c1 ZINC001237670302 819803015 /nfs/dbraw/zinc/80/30/15/819803015.db2.gz SAJXORSZPCRCGN-LBPRGKRZSA-N 1 0 279.380 3.031 20 10 CGCDRO COc1cc(C[NH+]2CCC(C(C)C)CC2)c(O)c(OC)c1 ZINC001237677645 819804024 /nfs/dbraw/zinc/80/40/24/819804024.db2.gz GLJSPTMTTHUAGM-UHFFFAOYSA-N 1 0 293.407 3.277 20 10 CGCDRO COc1cc(C[N@@H+]2CCC[C@@H](C)[C@H](C)C2)c(O)c(OC)c1 ZINC001237675640 819804845 /nfs/dbraw/zinc/80/48/45/819804845.db2.gz ZSQWAPFJPMGDIS-CHWSQXEVSA-N 1 0 293.407 3.277 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@@]3(CCCO3)C2)c1O ZINC001237680485 819806156 /nfs/dbraw/zinc/80/61/56/819806156.db2.gz CAWGZSVSPCVBDK-HNNXBMFYSA-N 1 0 281.783 3.109 20 10 CGCDRO Cc1cc(Cl)cc(CN2CC[N@@H+](C(C)C)[C@@H](C)C2)c1O ZINC001237685409 819807369 /nfs/dbraw/zinc/80/73/69/819807369.db2.gz BBDJKELCYQZQJW-ZDUSSCGKSA-N 1 0 296.842 3.269 20 10 CGCDRO Cc1cc(Cl)cc(C[N@H+]2C[C@@H]3C(=O)CCC[C@@H]3C2)c1O ZINC001237690145 819807723 /nfs/dbraw/zinc/80/77/23/819807723.db2.gz MUCJPKJLLKMIFW-RISCZKNCSA-N 1 0 293.794 3.155 20 10 CGCDRO Cc1cc(F)cc(C[N@@H+]2CCCC(F)(F)CC2)c1O ZINC001238057769 819921705 /nfs/dbraw/zinc/92/17/05/819921705.db2.gz MQROYNBSKJIJOQ-UHFFFAOYSA-N 1 0 273.298 3.461 20 10 CGCDRO Cc1cc(F)cc(C[N@H+](C2CCC2)C2CCOCC2)c1O ZINC001238066270 819922319 /nfs/dbraw/zinc/92/23/19/819922319.db2.gz LMCFLGVTMHWYEE-UHFFFAOYSA-N 1 0 293.382 3.373 20 10 CGCDRO Cc1cc(F)cc(C[N@@H+]2CCc3cccc(O)c3C2)c1O ZINC001238071162 819925512 /nfs/dbraw/zinc/92/55/12/819925512.db2.gz URHPBSIEVQKXPE-UHFFFAOYSA-N 1 0 287.334 3.104 20 10 CGCDRO CCOC(=O)c1cc2c(cc(C)nc2-c2conc2C)n1C ZINC001243673771 823482177 /nfs/dbraw/zinc/48/21/77/823482177.db2.gz KLNBBSXZOJHCRI-UHFFFAOYSA-N 1 0 299.330 3.022 20 10 CGCDRO C[NH+]1CCN(c2ccc(/C=C/C(C)(C)C)cc2)CC1 ZINC001241563279 821949839 /nfs/dbraw/zinc/94/98/39/821949839.db2.gz INTCFKBHRLYTDB-MDZDMXLPSA-N 1 0 258.409 3.498 20 10 CGCDRO CO[C@@H]1CC[C@H]([NH2+][C@@H](C)c2c(C)cc(C)cc2O)C1 ZINC001340609017 936409079 /nfs/dbraw/zinc/40/90/79/936409079.db2.gz BUBVWZJINBHALD-MELADBBJSA-N 1 0 263.381 3.227 20 10 CGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+][C@H]1CC[C@H](CO)CC1 ZINC001342406464 936466331 /nfs/dbraw/zinc/46/63/31/936466331.db2.gz LMQIAKPZHJPHBA-AJNGGQMLSA-N 1 0 289.419 3.390 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+][C@@H]1CCC[C@H](F)C1 ZINC001346029709 936835453 /nfs/dbraw/zinc/83/54/53/936835453.db2.gz QWCHESDNEVDSJN-NWDGAFQWSA-N 1 0 257.736 3.416 20 10 CGCDRO CCOc1ccc(C[NH2+][C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)c(O)c1 ZINC001347356084 936880993 /nfs/dbraw/zinc/88/09/93/936880993.db2.gz ILCFWKHZRKWJCL-KWCYVHTRSA-N 1 0 297.345 3.314 20 10 CGCDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2CCC(F)(F)C2)cc1F ZINC001351331025 937014966 /nfs/dbraw/zinc/01/49/66/937014966.db2.gz NMQIDFHDSVGITJ-SNVBAGLBSA-N 1 0 290.304 3.308 20 10 CGCDRO c1cc2c(cc1C[NH2+]C(C1CC1)C1CC1)CCCO2 ZINC001200312371 937063322 /nfs/dbraw/zinc/06/33/22/937063322.db2.gz ADZKBBVBDDGIQU-UHFFFAOYSA-N 1 0 257.377 3.290 20 10 CGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]CCc1ccccn1 ZINC000019916850 928046450 /nfs/dbraw/zinc/04/64/50/928046450.db2.gz GDOPFWGEONWLCM-ZFWWWQNUSA-N 1 0 282.387 3.476 20 10 CGCDRO C[NH2+][C@@H](C)CC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC001326034897 928265682 /nfs/dbraw/zinc/26/56/82/928265682.db2.gz BEAWKYQKCBLNRN-VHSXEESVSA-N 1 0 290.329 3.060 20 10 CGCDRO COCC[C@H](C)[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2C ZINC000081709697 928271388 /nfs/dbraw/zinc/27/13/88/928271388.db2.gz CNFXAXAFANJYST-AVGNSLFASA-N 1 0 263.381 3.264 20 10 CGCDRO C[C@H]([NH2+][C@H]1CO[C@H](C)C1)c1ccc2ccccc2c1O ZINC000402389083 932017241 /nfs/dbraw/zinc/01/72/41/932017241.db2.gz RYWYCCAKGOXNAB-MBNYWOFBSA-N 1 0 271.360 3.373 20 10 CGCDRO CC[C@@H]1CC[N@H+](Cc2cc(C)cc(OC)c2O)[C@@H]1C ZINC001462124072 937619306 /nfs/dbraw/zinc/61/93/06/937619306.db2.gz LNQFBXKMKOKXFU-CHWSQXEVSA-N 1 0 263.381 3.330 20 10 CGCDRO COc1cc(C)c(C[NH2+]Cc2cscc2C)c(O)c1 ZINC001462176084 937622689 /nfs/dbraw/zinc/62/26/89/937622689.db2.gz LKVRPIYLGOPYCB-UHFFFAOYSA-N 1 0 277.389 3.369 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC(C)(C)CC[C@H]2CO)cc1Cl ZINC001462531202 937647761 /nfs/dbraw/zinc/64/77/61/937647761.db2.gz CXXOLQJLKABBIH-ZDUSSCGKSA-N 1 0 297.826 3.337 20 10 CGCDRO CCc1cccc(CN(C)Cc2csnc2OC)c1O ZINC001462608841 937653839 /nfs/dbraw/zinc/65/38/39/937653839.db2.gz JZOZPQBOGHNPGA-UHFFFAOYSA-N 1 0 292.404 3.052 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]Cc1ccc(-c2cnco2)cc1 ZINC001462639264 937656189 /nfs/dbraw/zinc/65/61/89/937656189.db2.gz WVBHLMUKBZUISH-UHFFFAOYSA-N 1 0 298.317 3.476 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+]C[C@H]2CCCOC2)c1 ZINC001308729659 933165580 /nfs/dbraw/zinc/16/55/80/933165580.db2.gz XDWXFTPIOHFVBL-CYBMUJFWSA-N 1 0 263.381 3.032 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+][C@H]2CCSC2)c1 ZINC001308736055 933167694 /nfs/dbraw/zinc/16/76/94/933167694.db2.gz NCSGQPBXZDBRJW-ZDUSSCGKSA-N 1 0 251.395 3.111 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@@H]1CCn2ccnc2C1 ZINC001324228978 934474348 /nfs/dbraw/zinc/47/43/48/934474348.db2.gz YAHUUJUJHPYSFQ-MGPQQGTHSA-N 1 0 297.402 3.050 20 10 CGCDRO Oc1cccc2c1CN(c1cc[nH+]cc1C(F)(F)F)C2 ZINC001472860220 937787045 /nfs/dbraw/zinc/78/70/45/937787045.db2.gz NHZIWZXBIXWXKY-UHFFFAOYSA-N 1 0 280.249 3.326 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+]CCC2CCOCC2)cc1 ZINC001325575227 934919140 /nfs/dbraw/zinc/91/91/40/934919140.db2.gz WNIDGOYIFIPASV-ARJAWSKDSA-N 1 0 288.435 3.172 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CC[C@@H](C)O2)cc1Cl ZINC001327823741 935087199 /nfs/dbraw/zinc/08/71/99/935087199.db2.gz IZUZZWVCDQJOIF-PWSUYJOCSA-N 1 0 269.772 3.011 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C1(C2CC2)CCOCC1 ZINC001328659475 935157537 /nfs/dbraw/zinc/15/75/37/935157537.db2.gz KUFQYZGDKSEKDS-UHFFFAOYSA-N 1 0 288.435 3.110 20 10 CGCDRO Cc1cc(C[NH2+]Cc2cc(C)n(-c3ccccc3)c2C)[nH]n1 ZINC001328789231 935168593 /nfs/dbraw/zinc/16/85/93/935168593.db2.gz NJXWOPRNUAKBLC-UHFFFAOYSA-N 1 0 294.402 3.415 20 10 CGCDRO Oc1ccccc1C[NH2+]Cc1nc(-c2ccccc2)c[nH]1 ZINC001329009470 935178402 /nfs/dbraw/zinc/17/84/02/935178402.db2.gz RUZZOHYWRJXFLY-UHFFFAOYSA-N 1 0 279.343 3.072 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+]C/C=C/C2CC2)cc1 ZINC001330721767 935316601 /nfs/dbraw/zinc/31/66/01/935316601.db2.gz RBRZYIYLXWWCPO-GGWOSOGESA-N 1 0 256.393 3.322 20 10 CGCDRO C[NH2+][C@H](C)CC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC001331832567 935413053 /nfs/dbraw/zinc/41/30/53/935413053.db2.gz DLAXOUJLIHJURO-RKDXNWHRSA-N 1 0 291.222 3.348 20 10 CGCDRO C[NH2+][C@H](C)CC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC001331832563 935413157 /nfs/dbraw/zinc/41/31/57/935413157.db2.gz DLAXOUJLIHJURO-BDAKNGLRSA-N 1 0 291.222 3.348 20 10 CGCDRO C[C@@H]1C[C@@H](C)C[NH+](CCSc2nccs2)C1 ZINC001333275153 935522002 /nfs/dbraw/zinc/52/20/02/935522002.db2.gz AHJVIWNYZHBIAA-GHMZBOCLSA-N 1 0 256.440 3.213 20 10 CGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]Cc1csc(N)n1 ZINC001335252460 936135707 /nfs/dbraw/zinc/13/57/07/936135707.db2.gz ILGPPMITIVGBJR-GXSJLCMTSA-N 1 0 289.404 3.077 20 10 CGCDRO C[N@H+](Cc1ccc(N)cc1)[C@@H]1CCc2ccccc21 ZINC001336117963 936176816 /nfs/dbraw/zinc/17/68/16/936176816.db2.gz RURYIPFWDBPUMU-QGZVFWFLSA-N 1 0 252.361 3.388 20 10 CGCDRO CC(C)(F)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001336756045 936213853 /nfs/dbraw/zinc/21/38/53/936213853.db2.gz ZTDHNZOLSKWGOP-UHFFFAOYSA-N 1 0 250.361 3.125 20 10 CGCDRO CC(C)([NH2+]Cc1ccc(N)cc1)c1ccc([N+](=O)[O-])cc1 ZINC001337839011 936293312 /nfs/dbraw/zinc/29/33/12/936293312.db2.gz ZRAOFQKDWVVZDW-UHFFFAOYSA-N 1 0 285.347 3.202 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CCC[C@@H]2CCCCO2)cc1F ZINC001474106084 937840682 /nfs/dbraw/zinc/84/06/82/937840682.db2.gz IKTZZEUBKOVNQA-HNNXBMFYSA-N 1 0 294.414 3.331 20 10 CGCDRO CO[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)C1CCCCC1 ZINC001474222824 937844966 /nfs/dbraw/zinc/84/49/66/937844966.db2.gz JRHYHSFXBUSAFL-SFHVURJKSA-N 1 0 289.419 3.306 20 10 CGCDRO CCN1CCCC[C@@H]1C[NH2+]Cc1c(O)cc(C)cc1Cl ZINC001560329950 938253752 /nfs/dbraw/zinc/25/37/52/938253752.db2.gz YTXXQVIPWBVPTC-CYBMUJFWSA-N 1 0 296.842 3.318 20 10 CGCDRO COc1ccc(C[NH2+]C[C@]2(C)CCCC[C@H]2O)cc1C ZINC001560369471 938255909 /nfs/dbraw/zinc/25/59/09/938255909.db2.gz YEONGLKSKUDANJ-SJORKVTESA-N 1 0 277.408 3.034 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@H](C)[C@@H]2C)c1O ZINC001560629382 938266879 /nfs/dbraw/zinc/26/68/79/938266879.db2.gz NYUCSORSZXJVAN-STQMWFEESA-N 1 0 263.381 3.330 20 10 CGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CCN(C)CC2(C)C)c1 ZINC001560645344 938267730 /nfs/dbraw/zinc/26/77/30/938267730.db2.gz QKEWCFLJKHWZHV-UHFFFAOYSA-N 1 0 276.424 3.042 20 10 CGCDRO CCc1cccc(C[NH+]2CCN(c3ccccc3)CC2)c1O ZINC001560715856 938271811 /nfs/dbraw/zinc/27/18/11/938271811.db2.gz ZUJIWQUSBZOPBX-UHFFFAOYSA-N 1 0 296.414 3.277 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H](C(C)C)C2(CO)CCCC2)c(O)c1 ZINC001560873863 938281172 /nfs/dbraw/zinc/28/11/72/938281172.db2.gz DLEOCGKOTRIJSR-KRWDZBQOSA-N 1 0 291.435 3.368 20 10 CGCDRO Oc1c(C[NH2+]Cc2cnn(CCF)c2)ccc2ccccc12 ZINC001561028506 938290275 /nfs/dbraw/zinc/29/02/75/938290275.db2.gz LDWDUFDXPPJOCT-UHFFFAOYSA-N 1 0 299.349 3.001 20 10 CGCDRO Nc1ccc(C[NH2+]CC2(c3ccccc3)CCOCC2)cc1 ZINC001580445777 962726041 /nfs/dbraw/zinc/72/60/41/962726041.db2.gz VPKOGPGWHUKEMW-UHFFFAOYSA-N 1 0 296.414 3.107 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+][C@H](CO)Cc2ccccc2)c1 ZINC001621261818 1126246252 /nfs/dbraw/zinc/24/62/52/1126246252.db2.gz DCTLOUCEEVOBBZ-SFHVURJKSA-N 1 0 299.414 3.209 20 10 CGCDRO CN(C)[C@H](C[NH2+][C@@H]1CCc2cccc(O)c21)c1ccccc1 ZINC000295930949 282248443 /nfs/dbraw/zinc/24/84/43/282248443.db2.gz KFXOSTQETLDUBT-IAGOWNOFSA-N 1 0 296.414 3.272 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2c2ccnn2C)cc1 ZINC000281260916 282289724 /nfs/dbraw/zinc/28/97/24/282289724.db2.gz NDINLJRPSPHHIQ-GOSISDBHSA-N 1 0 298.434 3.213 20 10 CGCDRO COc1ccc(C[NH2+]CC2(CCO)CCCC2)cc1C ZINC000072925851 345421945 /nfs/dbraw/zinc/42/19/45/345421945.db2.gz XIYGWRISQUVXLE-UHFFFAOYSA-N 1 0 277.408 3.036 20 10 CGCDRO CCCN(CCC)c1ccc(C[N@@H+]2CC[C@H](CO)C2)cc1 ZINC000092764551 345858355 /nfs/dbraw/zinc/85/83/55/345858355.db2.gz CZHQHWOZIKXGBR-KRWDZBQOSA-N 1 0 290.451 3.127 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)[C@H]2CCOC2)cc1F ZINC000266139886 346408100 /nfs/dbraw/zinc/40/81/00/346408100.db2.gz GRCFFPOKSYRIEI-HIFRSBDPSA-N 1 0 294.414 3.187 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](C)Cn1ccnc1C)c1ccccc1O ZINC000124567806 370926234 /nfs/dbraw/zinc/92/62/34/370926234.db2.gz ZKPCEAXNLUIAGZ-CJNGLKHVSA-N 1 0 287.407 3.274 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCc2cccs2)c1 ZINC000019949107 368789263 /nfs/dbraw/zinc/78/92/63/368789263.db2.gz CLZHGPFZRXSBOQ-LLVKDONJSA-N 1 0 277.389 3.356 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]Cc2cccc(OC)c2O)c1 ZINC000037771228 369108089 /nfs/dbraw/zinc/10/80/89/369108089.db2.gz YFEXBXBJKAWOQX-LBPRGKRZSA-N 1 0 287.359 3.260 20 10 CGCDRO Oc1ccc2ccccc2c1C[N@@H+]1CC[C@H](N2CCCC2)C1 ZINC000066081028 369688738 /nfs/dbraw/zinc/68/87/38/369688738.db2.gz QEHSPMDLXPEJNM-INIZCTEOSA-N 1 0 296.414 3.216 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2cnn(C)c2C)cc1 ZINC000090888190 370071704 /nfs/dbraw/zinc/07/17/04/370071704.db2.gz DDVVVDWIMKTZAY-ZDUSSCGKSA-N 1 0 286.423 3.035 20 10 CGCDRO C[N@@H+](Cc1ccccc1O)C[C@@H](O)c1ccccc1Cl ZINC000111235615 370395060 /nfs/dbraw/zinc/39/50/60/370395060.db2.gz HVDMFHXPKISJQM-MRXNPFEDSA-N 1 0 291.778 3.211 20 10 CGCDRO CCOc1ccccc1C[N@H+](C)Cc1ccccc1O ZINC000111235741 370395334 /nfs/dbraw/zinc/39/53/34/370395334.db2.gz LYDFRSNIPFXRSN-UHFFFAOYSA-N 1 0 271.360 3.423 20 10 CGCDRO COc1ccc(C[NH2+]C[C@@H]2COc3ccccc32)cc1C ZINC000288502389 371740113 /nfs/dbraw/zinc/74/01/13/371740113.db2.gz ICUAQQCREQJWSI-OAHLLOKOSA-N 1 0 283.371 3.269 20 10 CGCDRO C[C@@H]1Oc2ccccc2[C@@H]1[NH2+]Cc1ccccc1O ZINC000288466013 371740299 /nfs/dbraw/zinc/74/02/99/371740299.db2.gz FGHSVECDUYIUAC-MEDUHNTESA-N 1 0 255.317 3.004 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@H]2c3ccccc3O[C@@H]2C)c1 ZINC000288425398 371737156 /nfs/dbraw/zinc/73/71/56/371737156.db2.gz BHHQRYKOIFBASS-KZULUSFZSA-N 1 0 299.370 3.403 20 10 CGCDRO C[N@H+](CCF)Cc1ccc(OCc2ccccc2)cc1O ZINC000293778000 372479324 /nfs/dbraw/zinc/47/93/24/372479324.db2.gz YZLXWQWUSMFQJV-UHFFFAOYSA-N 1 0 289.350 3.373 20 10 CGCDRO CCn1cc([C@H](C)[NH2+]Cc2cc(Cl)cc(C)c2O)cn1 ZINC000294888081 372676804 /nfs/dbraw/zinc/67/68/04/372676804.db2.gz QQDSHABMPAIOEI-NSHDSACASA-N 1 0 293.798 3.421 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]CCSC(F)(F)F)CC2 ZINC000295906357 372951424 /nfs/dbraw/zinc/95/14/24/372951424.db2.gz IYRDCPTXTDAHNC-SECBINFHSA-N 1 0 277.311 3.222 20 10 CGCDRO CCn1cc([C@H](C)[NH2+][C@@H](C)c2cc(C)ccc2O)cn1 ZINC000295951442 372970185 /nfs/dbraw/zinc/97/01/85/372970185.db2.gz MGRQNNTWQGGTQZ-STQMWFEESA-N 1 0 273.380 3.329 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]CCOc1ccccc1F)CC2 ZINC000295960054 372974593 /nfs/dbraw/zinc/97/45/93/372974593.db2.gz LZOLDDDVGTVDSS-CQSZACIVSA-N 1 0 287.334 3.187 20 10 CGCDRO CCn1cc([C@H](C)[NH2+][C@H](C)c2cc(F)ccc2O)cn1 ZINC000296009935 372993483 /nfs/dbraw/zinc/99/34/83/372993483.db2.gz RBKJVFBSEPYXAD-WDEREUQCSA-N 1 0 277.343 3.160 20 10 CGCDRO CO[C@H](C[NH2+][C@@H](C)c1ccccc1O)Cc1ccccc1 ZINC000296403391 373122319 /nfs/dbraw/zinc/12/23/19/373122319.db2.gz VZESEGHEPISJPX-HOCLYGCPSA-N 1 0 285.387 3.301 20 10 CGCDRO CC[C@H]([NH2+]Cc1nnc(C(C)C)[nH]1)c1ccc(C)cc1O ZINC000296450793 373137834 /nfs/dbraw/zinc/13/78/34/373137834.db2.gz MTONZLBTORKGMO-ZDUSSCGKSA-N 1 0 288.395 3.183 20 10 CGCDRO CCn1ccnc1C[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000296641020 373202819 /nfs/dbraw/zinc/20/28/19/373202819.db2.gz YCIKMQTZNPGDFF-SNVBAGLBSA-N 1 0 279.771 3.113 20 10 CGCDRO C[C@@H](CCO)CC[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000297338797 373266306 /nfs/dbraw/zinc/26/63/06/373266306.db2.gz OINWYPUSZQNBSI-MNOVXSKESA-N 1 0 271.788 3.105 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@H]2CCc3cccc(O)c32)cn1 ZINC000297807107 373281762 /nfs/dbraw/zinc/28/17/62/373281762.db2.gz QQWTYLCQSIOGKO-HNNXBMFYSA-N 1 0 298.386 3.353 20 10 CGCDRO COc1ccc(F)cc1C[NH2+][C@H](C)c1ccccc1O ZINC000179890363 373935099 /nfs/dbraw/zinc/93/50/99/373935099.db2.gz MYXDEABVUWCWFL-LLVKDONJSA-N 1 0 275.323 3.391 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CCS[C@H]3CCCC[C@@H]32)c1 ZINC000180483326 374014269 /nfs/dbraw/zinc/01/42/69/374014269.db2.gz ZRTSSQOKSFZBOJ-HOCLYGCPSA-N 1 0 293.432 3.261 20 10 CGCDRO CC(C)=CC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000181264047 374101067 /nfs/dbraw/zinc/10/10/67/374101067.db2.gz POQLJPFMLKUAGP-OAHLLOKOSA-N 1 0 274.408 3.140 20 10 CGCDRO C[C@H]([NH2+]Cc1ccnc(N2CCCC2)c1)c1ccccc1O ZINC000183406347 374412663 /nfs/dbraw/zinc/41/26/63/374412663.db2.gz INIXCKMAUQFZFB-AWEZNQCLSA-N 1 0 297.402 3.238 20 10 CGCDRO CCCOc1ncccc1C[NH2+][C@@H](C)c1ccccc1O ZINC000183448585 374416653 /nfs/dbraw/zinc/41/66/53/374416653.db2.gz LRKNXPGEBWCWKO-ZDUSSCGKSA-N 1 0 286.375 3.427 20 10 CGCDRO CC(C)C[C@H](CCO)C[NH2+][C@H](C)c1ccccc1O ZINC000183539146 374424082 /nfs/dbraw/zinc/42/40/82/374424082.db2.gz VFKLEQLDLKUPFS-KGLIPLIRSA-N 1 0 265.397 3.088 20 10 CGCDRO C[C@H]([NH2+]CCc1ccc(Cl)nc1)c1ccccc1O ZINC000183561343 374428585 /nfs/dbraw/zinc/42/85/85/374428585.db2.gz FBEQRAYEJAKULW-NSHDSACASA-N 1 0 276.767 3.334 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CCC[C@H]2OCC[C@@H]21)c1ccccc1O ZINC000183563530 374428992 /nfs/dbraw/zinc/42/89/92/374428992.db2.gz AJDGLFQDKHDILT-OEYIWLLWSA-N 1 0 261.365 3.000 20 10 CGCDRO Cc1cccc(C[C@@H](CO)[NH2+][C@H](C)c2ccc(C)cc2O)c1 ZINC000191596241 375642184 /nfs/dbraw/zinc/64/21/84/375642184.db2.gz BAXWUCXAYLZAAV-WBVHZDCISA-N 1 0 299.414 3.263 20 10 CGCDRO COCCCCN(C)c1ccc(OC(C)C)cc1 ZINC000191581606 375642571 /nfs/dbraw/zinc/64/25/71/375642571.db2.gz KMLRMRYGLUKFQA-UHFFFAOYSA-N 1 0 251.370 3.337 20 10 CGCDRO Cc1cc(O)c(C[NH+]2CC(Cc3ccco3)C2)cc1C ZINC000529648710 375931574 /nfs/dbraw/zinc/93/15/74/375931574.db2.gz HUPJWTRVNOKRRC-UHFFFAOYSA-N 1 0 271.360 3.277 20 10 CGCDRO Cc1nc(CC[NH2+][C@@H](C)c2ccccc2O)cs1 ZINC000223660338 376259254 /nfs/dbraw/zinc/25/92/54/376259254.db2.gz GTTBTGKKDWHLRR-JTQLQIEISA-N 1 0 262.378 3.050 20 10 CGCDRO COc1ccc(C[N@H+](C)Cc2ccccc2O)cc1C ZINC000179803445 542203502 /nfs/dbraw/zinc/20/35/02/542203502.db2.gz VBMCUNLHUQHQJW-UHFFFAOYSA-N 1 0 271.360 3.341 20 10 CGCDRO OC[C@H]1C=C[C@@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000268781936 378109398 /nfs/dbraw/zinc/10/93/98/378109398.db2.gz ITLAWEGQZOZPSR-KBXCAEBGSA-N 1 0 295.382 3.086 20 10 CGCDRO CC[C@@H](O)CC[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000269005816 378172591 /nfs/dbraw/zinc/17/25/91/378172591.db2.gz LFIGDSMIQJKXFC-CRAIPNDOSA-N 1 0 290.451 3.489 20 10 CGCDRO CCC[N@H+](Cc1ccccc1O)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000271361011 378489265 /nfs/dbraw/zinc/48/92/65/378489265.db2.gz NFYXPLLMCGDSOJ-USXIJHARSA-N 1 0 289.419 3.418 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H](O)c1ccc(C)cc1)c1ccccc1O ZINC000271757027 378502867 /nfs/dbraw/zinc/50/28/67/378502867.db2.gz YZDNHZVCZLIWQU-SJLPKXTDSA-N 1 0 285.387 3.475 20 10 CGCDRO C[C@H](CCCCO)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000272347633 378617691 /nfs/dbraw/zinc/61/76/91/378617691.db2.gz CRJSJVGQQBPFEW-MRXNPFEDSA-N 1 0 290.451 3.318 20 10 CGCDRO COCC[C@H]([NH2+]Cc1cccc(C)c1O)c1ccc(C)o1 ZINC000272647804 378682206 /nfs/dbraw/zinc/68/22/06/378682206.db2.gz PFSLUJAJGCVVJB-HNNXBMFYSA-N 1 0 289.375 3.469 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCOC2)c(O)c1C ZINC000273296473 378740557 /nfs/dbraw/zinc/74/05/57/378740557.db2.gz AEABONPYAUECNZ-KGLIPLIRSA-N 1 0 263.381 3.086 20 10 CGCDRO CCn1cc(C[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)cn1 ZINC000273345860 378741938 /nfs/dbraw/zinc/74/19/38/378741938.db2.gz ASJLWRYBSASOCT-CYBMUJFWSA-N 1 0 299.418 3.338 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCSC1)c1cc(Cl)ccc1O ZINC000273345803 378742455 /nfs/dbraw/zinc/74/24/55/378742455.db2.gz ARFDYDFSSPSHFM-WPRPVWTQSA-N 1 0 257.786 3.202 20 10 CGCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2cccs2)c1 ZINC000273389120 378743480 /nfs/dbraw/zinc/74/34/80/378743480.db2.gz KHIOBMBUIWULBW-SNVBAGLBSA-N 1 0 291.372 3.091 20 10 CGCDRO C[C@H](CCO)C1(C[NH2+][C@H](C)c2cc(F)ccc2O)CCC1 ZINC000273445306 378745602 /nfs/dbraw/zinc/74/56/02/378745602.db2.gz DYCHITSDCHCCKS-CHWSQXEVSA-N 1 0 295.398 3.371 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H](CO)CC(C)C)c(O)c1C ZINC000273411975 378746807 /nfs/dbraw/zinc/74/68/07/378746807.db2.gz PXIQZJVTGALSPR-KGLIPLIRSA-N 1 0 265.397 3.067 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](CO)c2ccc(F)cc2)c(O)c1 ZINC000273517937 378750413 /nfs/dbraw/zinc/75/04/13/378750413.db2.gz SXEJMZVTDGYBAQ-LRDDRELGSA-N 1 0 289.350 3.224 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cnn(C)c2)c(O)c1C ZINC000273569679 378754503 /nfs/dbraw/zinc/75/45/03/378754503.db2.gz KLMHDDHBAWJOKT-STQMWFEESA-N 1 0 273.380 3.154 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2O)c1ccccc1O ZINC000272842010 378711739 /nfs/dbraw/zinc/71/17/39/378711739.db2.gz JUTVSIGBAUOKLE-IAQYHMDHSA-N 1 0 269.344 3.436 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)COCC(F)(F)F)c(O)c1 ZINC000273595069 378756724 /nfs/dbraw/zinc/75/67/24/378756724.db2.gz QFJYPDOOKMHMID-QWRGUYRKSA-N 1 0 291.313 3.319 20 10 CGCDRO Cc1nn(C(C)C)cc1C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000281219963 379823957 /nfs/dbraw/zinc/82/39/57/379823957.db2.gz CYJUFUBBYKAIPD-UHFFFAOYSA-N 1 0 286.423 3.128 20 10 CGCDRO CCCC[N@H+](CCC(C)(C)O)Cc1ccccc1O ZINC000282486807 379930900 /nfs/dbraw/zinc/93/09/00/379930900.db2.gz PIKRGADPINKDOW-UHFFFAOYSA-N 1 0 265.397 3.155 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CSC1(C)C)c1ccc(F)c(F)c1[O-] ZINC000283487026 380066737 /nfs/dbraw/zinc/06/67/37/380066737.db2.gz XPXGKTOPQQBHMI-GMSGAONNSA-N 1 0 273.348 3.215 20 10 CGCDRO C[C@@]12CC[N@H+](Cc3ccccc3O)C[C@@H]1C2(Cl)Cl ZINC000284339203 380139497 /nfs/dbraw/zinc/13/94/97/380139497.db2.gz LMNMWLWSUYKLRH-QWHCGFSZSA-N 1 0 286.202 3.408 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@H]2CCO[C@@H](C)C2)c(O)c1 ZINC000285243297 380145264 /nfs/dbraw/zinc/14/52/64/380145264.db2.gz PSUCCYXJWRDLKK-IHRRRGAJSA-N 1 0 263.381 3.227 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCO[C@H](C)C2)c(O)c1 ZINC000285243290 380146127 /nfs/dbraw/zinc/14/61/27/380146127.db2.gz PSUCCYXJWRDLKK-HZSPNIEDSA-N 1 0 263.381 3.227 20 10 CGCDRO Cc1c2ccccc2n(C)c1CNc1cc[nH+]c(C)c1 ZINC000359828965 381371433 /nfs/dbraw/zinc/37/14/33/381371433.db2.gz HOQVSDDZABSQHK-UHFFFAOYSA-N 1 0 265.360 3.224 20 10 CGCDRO C[C@H]([NH2+]CCCCCCO)c1cc(Cl)ccc1O ZINC000186231096 262085430 /nfs/dbraw/zinc/08/54/30/262085430.db2.gz FVDVBZHMTFSAJV-NSHDSACASA-N 1 0 271.788 3.249 20 10 CGCDRO CCN(C(=O)c1cccc2c1CC[NH2+]C2)c1ccccc1C ZINC000317807998 542438298 /nfs/dbraw/zinc/43/82/98/542438298.db2.gz GGQJOYAQBJBEFU-UHFFFAOYSA-N 1 0 294.398 3.307 20 10 CGCDRO CC[N@H+](CCc1nccs1)Cc1cc(C)ccc1O ZINC000093764662 392239394 /nfs/dbraw/zinc/23/93/94/392239394.db2.gz XYFALPJCOYFXNV-UHFFFAOYSA-N 1 0 276.405 3.222 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1cncc(F)c1 ZINC000122948378 392424642 /nfs/dbraw/zinc/42/46/42/392424642.db2.gz ACBXZPIJWYNDAQ-CYBMUJFWSA-N 1 0 299.393 3.454 20 10 CGCDRO Cc1cccc(C[NH+]2CCC(c3ccncc3)CC2)c1O ZINC000289729563 392429922 /nfs/dbraw/zinc/42/99/22/392429922.db2.gz HSNGNRDGJXSKJA-UHFFFAOYSA-N 1 0 282.387 3.475 20 10 CGCDRO Oc1ccccc1C[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000133133390 392463873 /nfs/dbraw/zinc/46/38/73/392463873.db2.gz PSFPJUCEPFPZNF-OAHLLOKOSA-N 1 0 275.392 3.364 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)CC(C)(C)O)c1ccc(N(C)C)cc1 ZINC000296638097 392562407 /nfs/dbraw/zinc/56/24/07/392562407.db2.gz XXVLBZBUXUYMHX-BBRMVZONSA-N 1 0 278.440 3.343 20 10 CGCDRO Cc1cc(O)c(C[NH+]2CCC(c3cn[nH]c3)CC2)cc1C ZINC000372433183 392611510 /nfs/dbraw/zinc/61/15/10/392611510.db2.gz CGRQXWXBRPTDKB-UHFFFAOYSA-N 1 0 285.391 3.112 20 10 CGCDRO Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000178716665 392684293 /nfs/dbraw/zinc/68/42/93/392684293.db2.gz ALUIZGYUVVLVTQ-QWHCGFSZSA-N 1 0 286.423 3.206 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](C)CC2)cc1OC ZINC000179441491 392702127 /nfs/dbraw/zinc/70/21/27/392702127.db2.gz TWZMVUDBRSQNOY-LBPRGKRZSA-N 1 0 279.380 3.031 20 10 CGCDRO CC(C)COC1CC[NH+](Cc2ccccc2O)CC1 ZINC000179564694 392702630 /nfs/dbraw/zinc/70/26/30/392702630.db2.gz CVLJATLCLLVZBG-UHFFFAOYSA-N 1 0 263.381 3.029 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+][C@H](C)c2ccccn2)c1O ZINC000228669125 393020312 /nfs/dbraw/zinc/02/03/12/393020312.db2.gz IDJCVCWNNULMOZ-SNVBAGLBSA-N 1 0 292.766 3.300 20 10 CGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000394978522 397696566 /nfs/dbraw/zinc/69/65/66/397696566.db2.gz CTWXRTVLEPBJRY-OSAQELSMSA-N 1 0 272.392 3.142 20 10 CGCDRO CCOc1cccc(C[NH2+]C(C2CC2)C2CC2)c1O ZINC000020130931 171019987 /nfs/dbraw/zinc/01/99/87/171019987.db2.gz JEYFIINOUPYMIM-UHFFFAOYSA-N 1 0 261.365 3.069 20 10 CGCDRO C[C@@H](CCc1ccco1)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000020144458 171030308 /nfs/dbraw/zinc/03/03/08/171030308.db2.gz NJWRFXOBODPRGT-AWEZNQCLSA-N 1 0 272.392 3.457 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](CC(C)C)N(C)C)c(O)c1 ZINC000020201842 171066018 /nfs/dbraw/zinc/06/60/18/171066018.db2.gz KIERDKFTSAZEGA-GJZGRUSLSA-N 1 0 278.440 3.328 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H](C)N1CCCCC1)c1ccccc1O ZINC000038028407 174016695 /nfs/dbraw/zinc/01/66/95/174016695.db2.gz USJOBFYQYOVMNU-GDBMZVCRSA-N 1 0 276.424 3.307 20 10 CGCDRO CC[C@H]([NH2+]Cc1cccc2c1OCO2)c1ccccc1O ZINC000040667014 260341096 /nfs/dbraw/zinc/34/10/96/260341096.db2.gz SJCPMKVOORSYBS-AWEZNQCLSA-N 1 0 285.343 3.362 20 10 CGCDRO Cc1nc(CC[NH2+]Cc2c(O)cccc2Cl)sc1C ZINC000122725900 260722261 /nfs/dbraw/zinc/72/22/61/260722261.db2.gz JTKAGDMQAYOMRC-UHFFFAOYSA-N 1 0 296.823 3.451 20 10 CGCDRO CCn1cc([C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)cn1 ZINC000155408532 261101773 /nfs/dbraw/zinc/10/17/73/261101773.db2.gz JIHCJAKDVVCMID-CYBMUJFWSA-N 1 0 273.380 3.071 20 10 CGCDRO COc1ccc(C[N@H+](C)Cc2cc(C)ccc2O)cc1 ZINC000159867364 261196662 /nfs/dbraw/zinc/19/66/62/261196662.db2.gz JBLYQCLUBSRKIR-UHFFFAOYSA-N 1 0 271.360 3.341 20 10 CGCDRO CCOc1cccc(C[N@H+](C)Cc2ccc(C)o2)c1O ZINC000160856229 261229301 /nfs/dbraw/zinc/22/93/01/261229301.db2.gz UOOPLVDBGPZLOT-UHFFFAOYSA-N 1 0 275.348 3.324 20 10 CGCDRO COC(C)(C)C[C@@H](C)[NH2+]Cc1cc(C)c(C)cc1O ZINC000174556252 261576325 /nfs/dbraw/zinc/57/63/25/261576325.db2.gz YPGTVBGOAPDQDC-CYBMUJFWSA-N 1 0 265.397 3.302 20 10 CGCDRO C[C@@H](O)C[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000179585779 261800558 /nfs/dbraw/zinc/80/05/58/261800558.db2.gz UKWQOURGKGIHFE-CABCVRRESA-N 1 0 276.424 3.098 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1ccc(F)cc1[O-] ZINC000184944496 262035124 /nfs/dbraw/zinc/03/51/24/262035124.db2.gz QECMIIFZNDSZLA-QLJPJBMISA-N 1 0 293.313 3.055 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1CCCOC1)c1cc(Cl)ccc1O ZINC000185089695 262040847 /nfs/dbraw/zinc/04/08/47/262040847.db2.gz FAFHOTCUGOJTBD-QWRGUYRKSA-N 1 0 269.772 3.123 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCO[C@H](C3CC3)C2)c(O)c1 ZINC000185317424 262050998 /nfs/dbraw/zinc/05/09/98/262050998.db2.gz HYPURFQDIAWEFZ-IFIJOSMWSA-N 1 0 275.392 3.309 20 10 CGCDRO CC[C@@H](CCO)C[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000185676886 262066009 /nfs/dbraw/zinc/06/60/09/262066009.db2.gz PQEOSTHQNQQWPC-MNOVXSKESA-N 1 0 271.788 3.105 20 10 CGCDRO Cc1cc(C[C@@H](C)[NH2+][C@@H](C)c2ccc(C)cc2O)[nH]n1 ZINC000186131362 262080747 /nfs/dbraw/zinc/08/07/47/262080747.db2.gz MWYSUFZOIISSQF-YPMHNXCESA-N 1 0 273.380 3.014 20 10 CGCDRO CC(C)[C@H](O)C(C)(C)C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000186174969 262082487 /nfs/dbraw/zinc/08/24/87/262082487.db2.gz CZIJLTMOEBMDTO-ABAIWWIYSA-N 1 0 283.387 3.225 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@]2(O)CCc3ccccc32)c(O)c1 ZINC000186165912 262082630 /nfs/dbraw/zinc/08/26/30/262082630.db2.gz PIANXGWHCWFHQY-LIRRHRJNSA-N 1 0 297.398 3.185 20 10 CGCDRO CC[N@@H+](Cc1cc(Cl)cc(OC)c1O)C[C@@H]1CCCO1 ZINC000184683364 262291536 /nfs/dbraw/zinc/29/15/36/262291536.db2.gz YNCUGCQXPGMHRG-ZDUSSCGKSA-N 1 0 299.798 3.055 20 10 CGCDRO CCSCCC[NH2+]Cc1cc(C)c(C)cc1O ZINC000282069322 263074004 /nfs/dbraw/zinc/07/40/04/263074004.db2.gz QMNOPSKCZSMNMU-UHFFFAOYSA-N 1 0 253.411 3.242 20 10 CGCDRO COCC1(C[NH2+]Cc2ccccc2O)CCCCC1 ZINC000289753692 263111783 /nfs/dbraw/zinc/11/17/83/263111783.db2.gz WNZDJVYFXQINQD-UHFFFAOYSA-N 1 0 263.381 3.079 20 10 CGCDRO CCc1nn(C)c(CC)c1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296272134 263188918 /nfs/dbraw/zinc/18/89/18/263188918.db2.gz BYUKKRMNUHEKAW-OAHLLOKOSA-N 1 0 299.418 3.028 20 10 CGCDRO CCOC[C@H]([NH2+][C@H](CC)c1ccccc1O)C(C)C ZINC000189345741 264292194 /nfs/dbraw/zinc/29/21/94/264292194.db2.gz YAMYAUZDNOYZSW-CABCVRRESA-N 1 0 265.397 3.494 20 10 CGCDRO CO[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(C)c2O)CC1 ZINC000377243856 268059008 /nfs/dbraw/zinc/05/90/08/268059008.db2.gz KEYARRKIEKSKHA-CQSZACIVSA-N 1 0 283.799 3.355 20 10 CGCDRO CC(C)[C@H](C[NH2+][C@@H](C)c1ccccc1O)N1CCCC1 ZINC000020200713 277897741 /nfs/dbraw/zinc/89/77/41/277897741.db2.gz GSYFJSFOEAOJKA-HOCLYGCPSA-N 1 0 276.424 3.163 20 10 CGCDRO CC[C@@H](C[NH2+]Cc1ccc(N2CCCCC2)cc1)OC ZINC000289976907 328150805 /nfs/dbraw/zinc/15/08/05/328150805.db2.gz ZJQVVVYEDUFKBX-KRWDZBQOSA-N 1 0 276.424 3.192 20 10 CGCDRO CC[C@@H]([NH2+][C@H](C)CCOC)c1ccc(N(C)C)cc1 ZINC000152735222 327564726 /nfs/dbraw/zinc/56/47/26/327564726.db2.gz XYTVFOXIXBAUQG-CZUORRHYSA-N 1 0 264.413 3.218 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+][C@@H]1CCOc2c(F)cccc21 ZINC000377009559 329009297 /nfs/dbraw/zinc/00/92/97/329009297.db2.gz JEJLLDIDQJFZAZ-CQSZACIVSA-N 1 0 291.297 3.284 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](C3CCOCC3)C2)cc1 ZINC000378339083 329046664 /nfs/dbraw/zinc/04/66/64/329046664.db2.gz DMDDRXMCXGTDGP-KRWDZBQOSA-N 1 0 288.435 3.001 20 10 CGCDRO Cc1cccc(C[N@@H+]2CC[C@H](Cc3ccncc3)C2)c1O ZINC000378624234 329056894 /nfs/dbraw/zinc/05/68/94/329056894.db2.gz MYOWYYSIGMYKGJ-MRXNPFEDSA-N 1 0 282.387 3.160 20 10 CGCDRO Cc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1ccccc1O)CO2 ZINC000378640310 329057562 /nfs/dbraw/zinc/05/75/62/329057562.db2.gz VGHYZQFDYVUTET-DOMZBBRYSA-N 1 0 269.344 3.485 20 10 CGCDRO C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1O)c1ccc(N(C)C)cc1 ZINC000248201448 329888487 /nfs/dbraw/zinc/88/84/87/329888487.db2.gz YVEKEFPBGSHTCU-MJXNMMHHSA-N 1 0 296.414 3.062 20 10 CGCDRO Oc1ccccc1C[NH2+][C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC000527750120 330280984 /nfs/dbraw/zinc/28/09/84/330280984.db2.gz UONHIWFALWRKDB-HYVNUMGLSA-N 1 0 285.774 3.474 20 10 CGCDRO C[C@H]([NH2+]C[C@]1(C)COc2ccccc2O1)c1ccccc1O ZINC000527931076 330297343 /nfs/dbraw/zinc/29/73/43/330297343.db2.gz JMBXDJHACWJAHV-SCLBCKFNSA-N 1 0 299.370 3.273 20 10 CGCDRO COCCC1CC[NH+]([C@H]2CCc3cccc(O)c32)CC1 ZINC000527935307 330297834 /nfs/dbraw/zinc/29/78/34/330297834.db2.gz LOFBCUROLSPUCO-HNNXBMFYSA-N 1 0 275.392 3.128 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1ccc(N(C)C)cc1 ZINC000159941453 330854777 /nfs/dbraw/zinc/85/47/77/330854777.db2.gz HKICMCRQPRGPDD-UKRRQHHQSA-N 1 0 276.424 3.361 20 10 CGCDRO CCOc1cccc(C[NH2+]Cc2cc(F)ccc2O)c1 ZINC000226584980 333265479 /nfs/dbraw/zinc/26/54/79/333265479.db2.gz NAEIBEUAGMDYAV-UHFFFAOYSA-N 1 0 275.323 3.220 20 10 CGCDRO CC(C)[C@H](CCO)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000230689986 333320950 /nfs/dbraw/zinc/32/09/50/333320950.db2.gz HDZUDWNXQXPUNT-SFHVURJKSA-N 1 0 290.451 3.174 20 10 CGCDRO CCOc1ccc(O)c(C[NH+]2CCC(CCOC)CC2)c1 ZINC000529637279 333502423 /nfs/dbraw/zinc/50/24/23/333502423.db2.gz AVCBPFJIUHMHQX-UHFFFAOYSA-N 1 0 293.407 3.039 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H](C)c2ncc(C)s2)c1O ZINC000134911157 334108102 /nfs/dbraw/zinc/10/81/02/334108102.db2.gz YDTWKNFAPLQVBL-NSHDSACASA-N 1 0 292.404 3.407 20 10 CGCDRO CO[C@H](C[NH2+][C@@H](C)c1cc(C)ccc1O)C(C)C ZINC000273609115 334768125 /nfs/dbraw/zinc/76/81/25/334768125.db2.gz VEEGUSOBZAAWKJ-SWLSCSKDSA-N 1 0 251.370 3.022 20 10 CGCDRO CCOc1cccc(C[NH+]2CCC(C)(OCC)CC2)c1O ZINC000292876567 334887681 /nfs/dbraw/zinc/88/76/81/334887681.db2.gz XBXRYKJLQLXIHK-UHFFFAOYSA-N 1 0 293.407 3.182 20 10 CGCDRO CCC[C@@H](CCO)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000152439902 520702221 /nfs/dbraw/zinc/70/22/21/520702221.db2.gz SQUOAOPJMUTVDD-CABCVRRESA-N 1 0 278.440 3.202 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C2CCC(O)CC2)cc1F ZINC000265788820 520905906 /nfs/dbraw/zinc/90/59/06/520905906.db2.gz QEDLPKSXWUMIMO-UHFFFAOYSA-N 1 0 294.414 3.065 20 10 CGCDRO CC[C@H]([NH2+]CCCOC[C@H]1CCCO1)c1ccccc1O ZINC000020146783 522584445 /nfs/dbraw/zinc/58/44/45/522584445.db2.gz MFAZUXBDMNAJEY-ZBFHGGJFSA-N 1 0 293.407 3.019 20 10 CGCDRO CC[C@H]([NH2+][C@@H](COC)C1CC1)c1ccc(C)cc1O ZINC000280173577 522710015 /nfs/dbraw/zinc/71/00/15/522710015.db2.gz RHXXCMIDKXVGJN-GJZGRUSLSA-N 1 0 263.381 3.166 20 10 CGCDRO COC[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)C(C)C ZINC000086695026 522751024 /nfs/dbraw/zinc/75/10/24/522751024.db2.gz UFMQMIZVKJTOPY-KRWDZBQOSA-N 1 0 276.424 3.047 20 10 CGCDRO COCC1(CC[NH2+]Cc2ccc(N(C)C)cc2)CCC1 ZINC000293043665 522862827 /nfs/dbraw/zinc/86/28/27/522862827.db2.gz SQKJGRQUKXQHQO-UHFFFAOYSA-N 1 0 276.424 3.049 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccccc1 ZINC000051627257 522871135 /nfs/dbraw/zinc/87/11/35/522871135.db2.gz PYZVBUTZWNKDKQ-CQSZACIVSA-N 1 0 285.343 3.362 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](C)c1cnn(C)c1)c1ccc(C)cc1O ZINC000279935377 522916628 /nfs/dbraw/zinc/91/66/28/522916628.db2.gz AXZAYOXFPWZAKY-SWLSCSKDSA-N 1 0 273.380 3.236 20 10 CGCDRO CC[C@@H]([NH2+][C@H](CCO)C(C)(C)C)c1ccccc1O ZINC000157992082 522944003 /nfs/dbraw/zinc/94/40/03/522944003.db2.gz JDXSYIXAOOVSDK-UKRRQHHQSA-N 1 0 265.397 3.230 20 10 CGCDRO C[N@H+](Cc1ccc(C(F)(F)F)cn1)Cc1ccccc1O ZINC000277842991 523215527 /nfs/dbraw/zinc/21/55/27/523215527.db2.gz WZPZXBCMVDYYLY-UHFFFAOYSA-N 1 0 296.292 3.438 20 10 CGCDRO Cc1cccc(CC[NH2+][C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000279925845 524363348 /nfs/dbraw/zinc/36/33/48/524363348.db2.gz AJNVWLPVQATIIT-HNNXBMFYSA-N 1 0 283.419 3.349 20 10 CGCDRO Cc1cccc(C[N@@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c1O ZINC000291669407 524385658 /nfs/dbraw/zinc/38/56/58/524385658.db2.gz WETPVVNYGRWESL-GDBMZVCRSA-N 1 0 275.392 3.090 20 10 CGCDRO Cc1cc(C[N@H+](C)CCC2CCOCC2)ccc1N(C)C ZINC000292893831 524660351 /nfs/dbraw/zinc/66/03/51/524660351.db2.gz VJGQZWHPXSYHHK-UHFFFAOYSA-N 1 0 290.451 3.310 20 10 CGCDRO COc1ccc(O)c(C[NH2+]Cc2sccc2C)c1 ZINC000083601763 524753622 /nfs/dbraw/zinc/75/36/22/524753622.db2.gz QJXWHNJQXCOJGL-UHFFFAOYSA-N 1 0 263.362 3.061 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@](C)(O)CC2)c1O ZINC000279644465 524863940 /nfs/dbraw/zinc/86/39/40/524863940.db2.gz JRXDWTRYVKELFD-HNNXBMFYSA-N 1 0 283.799 3.091 20 10 CGCDRO COc1ccc([C@H](C)[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000088218880 525323551 /nfs/dbraw/zinc/32/35/51/525323551.db2.gz WYPOWCCZLIBQSQ-ZDUSSCGKSA-N 1 0 283.371 3.481 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCN(C)C2CCCC2)c1 ZINC000071376873 525361558 /nfs/dbraw/zinc/36/15/58/525361558.db2.gz XPJKQIBRWFXMFF-AWEZNQCLSA-N 1 0 276.424 3.226 20 10 CGCDRO C[C@H]([NH2+]C[C@]1(CO)C[C@@H]1c1ccccc1)c1ccccc1O ZINC000289580542 525425552 /nfs/dbraw/zinc/42/55/52/525425552.db2.gz BLBOQYNWLLIGHM-YJLNNSPDSA-N 1 0 297.398 3.209 20 10 CGCDRO C[C@@H]([NH2+]CCC(C)(C)O)c1ccc(N2CCCCC2)cc1 ZINC000274813405 525428840 /nfs/dbraw/zinc/42/88/40/525428840.db2.gz VRUDOGLAIDFMRU-OAHLLOKOSA-N 1 0 290.451 3.489 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccccn1 ZINC000050286074 525530985 /nfs/dbraw/zinc/53/09/85/525530985.db2.gz CTUZFRWFYLEVAJ-CQSZACIVSA-N 1 0 281.403 3.315 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1C)c1cc2c(cc1O)CCCC2 ZINC000278664481 525572636 /nfs/dbraw/zinc/57/26/36/525572636.db2.gz TVADQMNXQLDBHJ-GDZNZVCISA-N 1 0 289.419 3.347 20 10 CGCDRO C[C@H]([NH2+][C@H]1COc2cc(F)cc(F)c21)c1ccccc1O ZINC000368212321 525634364 /nfs/dbraw/zinc/63/43/64/525634364.db2.gz MPNXHFGSNOEYDK-ZANVPECISA-N 1 0 291.297 3.455 20 10 CGCDRO COc1cccc(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)c1O ZINC000127381792 525943106 /nfs/dbraw/zinc/94/31/06/525943106.db2.gz PHKCMDJDUVHSFE-AWEZNQCLSA-N 1 0 272.348 3.066 20 10 CGCDRO COc1cccc(C[NH2+][C@H]2C[C@H](c3ccccc3)C2)c1O ZINC000280689024 526039930 /nfs/dbraw/zinc/03/99/30/526039930.db2.gz RHFBSXVZGIHAHC-WKILWMFISA-N 1 0 283.371 3.437 20 10 CGCDRO Oc1ccc(F)cc1C[N@H+](Cc1cccnc1)C1CC1 ZINC000290293029 526346686 /nfs/dbraw/zinc/34/66/86/526346686.db2.gz ANNVUZHYLLHDOS-UHFFFAOYSA-N 1 0 272.323 3.091 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H](C)CCCCO)cc1 ZINC000296450544 527870157 /nfs/dbraw/zinc/87/01/57/527870157.db2.gz MRZBKBDIVTWUTB-HUUCEWRRSA-N 1 0 278.440 3.344 20 10 CGCDRO CN(C)c1ccc(C[NH2+]Cc2ccc3[nH]cnc3c2)cc1F ZINC000727468213 571747907 /nfs/dbraw/zinc/74/79/07/571747907.db2.gz GVLRLSHIRGVRFR-UHFFFAOYSA-N 1 0 298.365 3.058 20 10 CGCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H]2C2CCC2)c1O ZINC000750823306 572328939 /nfs/dbraw/zinc/32/89/39/572328939.db2.gz QENBQXAXWRMQST-MRXNPFEDSA-N 1 0 291.366 3.498 20 10 CGCDRO CC[N@@H+](Cc1c(O)ccc2ccccc21)C[C@H]1CCOC1 ZINC000738081478 572364762 /nfs/dbraw/zinc/36/47/62/572364762.db2.gz LBBRCHTXSUKKJV-CQSZACIVSA-N 1 0 285.387 3.404 20 10 CGCDRO Oc1cc2c(cc1C[NH+]1CCc3ccccc3CC1)CCC2 ZINC000738225589 572366361 /nfs/dbraw/zinc/36/63/61/572366361.db2.gz HAWFPNZBZPHCTF-UHFFFAOYSA-N 1 0 293.410 3.482 20 10 CGCDRO CCC[N@H+](Cc1ccccc1O)C[Si](C)(C)C ZINC000731212792 572402158 /nfs/dbraw/zinc/40/21/58/572402158.db2.gz SXUHTVVKZOOMAF-UHFFFAOYSA-N 1 0 251.446 3.482 20 10 CGCDRO CCOc1ccc(C[NH2+]Cc2ccc(Cl)o2)c(O)c1 ZINC000725841785 572435684 /nfs/dbraw/zinc/43/56/84/572435684.db2.gz NJUMBUBYQNJRPZ-UHFFFAOYSA-N 1 0 281.739 3.327 20 10 CGCDRO CN(C)c1ccc(CNc2cc[nH+]c3ccccc23)cc1F ZINC000732003897 572445385 /nfs/dbraw/zinc/44/53/85/572445385.db2.gz NOXYDFWYWOJUQO-UHFFFAOYSA-N 1 0 295.361 3.474 20 10 CGCDRO Cc1cc(O)c(CN(C)Cc2cc[nH]n2)cc1C(C)C ZINC000732667885 572477354 /nfs/dbraw/zinc/47/73/54/572477354.db2.gz ICOBTNYDAYPZTN-UHFFFAOYSA-N 1 0 273.380 3.179 20 10 CGCDRO CCC(CC)C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000733327742 572556369 /nfs/dbraw/zinc/55/63/69/572556369.db2.gz AGSBFECJEZAGJE-UHFFFAOYSA-N 1 0 252.377 3.418 20 10 CGCDRO Oc1ccccc1C[NH2+]C1(c2ccccc2)CCOCC1 ZINC000742373089 572570679 /nfs/dbraw/zinc/57/06/79/572570679.db2.gz OEMSXTUKPRXDEG-UHFFFAOYSA-N 1 0 283.371 3.188 20 10 CGCDRO COC[C@@H](Cc1ccccc1)[NH2+]Cc1cc(C)ccc1O ZINC000747100961 572910122 /nfs/dbraw/zinc/91/01/22/572910122.db2.gz ZMHQYJTYKMQEAT-QGZVFWFLSA-N 1 0 285.387 3.048 20 10 CGCDRO COc1cc(C[N@@H+]2CCS[C@@H](C)[C@@H]2C)c(O)cc1C ZINC000160218584 617620521 /nfs/dbraw/zinc/62/05/21/617620521.db2.gz PLFVIFAKGXEPJP-RYUDHWBXSA-N 1 0 281.421 3.035 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2OC)cc1 ZINC000049948924 618032427 /nfs/dbraw/zinc/03/24/27/618032427.db2.gz XKJWSBRTBWIAFR-SJORKVTESA-N 1 0 276.424 3.190 20 10 CGCDRO COc1ccc(N(C)CCCCCCC[NH3+])cc1 ZINC000049973724 618063676 /nfs/dbraw/zinc/06/36/76/618063676.db2.gz QTNWASBLIXJLDI-UHFFFAOYSA-N 1 0 250.386 3.041 20 10 CGCDRO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846146030 618074322 /nfs/dbraw/zinc/07/43/22/618074322.db2.gz RDYLMICVGYLMSZ-SRVKXCTJSA-N 1 0 251.370 3.486 20 10 CGCDRO CC[C@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1ccc(N(C)C)cc1 ZINC000160550325 618092487 /nfs/dbraw/zinc/09/24/87/618092487.db2.gz PHVLKTBFRWXIMS-NJAFHUGGSA-N 1 0 290.451 3.344 20 10 CGCDRO CCOCC[N@H+](C)Cc1cc(C(C)C)c(C)cc1O ZINC000092885227 618223567 /nfs/dbraw/zinc/22/35/67/618223567.db2.gz GKWPKWQTTNJFHX-UHFFFAOYSA-N 1 0 265.397 3.292 20 10 CGCDRO C[N@H+](Cc1cnn(CC2CCC2)c1)Cc1ccccc1O ZINC000891713441 618255013 /nfs/dbraw/zinc/25/50/13/618255013.db2.gz DUWJVHQLFLZUTD-UHFFFAOYSA-N 1 0 285.391 3.021 20 10 CGCDRO Cc1cc(C[NH2+][C@@H]2CCOC23CCCC3)ccc1N(C)C ZINC000934383744 618613820 /nfs/dbraw/zinc/61/38/20/618613820.db2.gz ZSZFZUYVAJVEEO-QGZVFWFLSA-N 1 0 288.435 3.252 20 10 CGCDRO CCCC[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000050887236 618694061 /nfs/dbraw/zinc/69/40/61/618694061.db2.gz LRLRBIRDWLDNAW-HNNXBMFYSA-N 1 0 276.424 3.192 20 10 CGCDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2ccccc2O)C1(C)C ZINC000179560803 618795015 /nfs/dbraw/zinc/79/50/15/618795015.db2.gz KECXUVKSZMOZSY-LSDHHAIUSA-N 1 0 263.381 3.028 20 10 CGCDRO CC[C@H]1C[N@H+](Cc2cc(C)c(C)cc2O)C[C@@H](C)O1 ZINC000247735300 618857549 /nfs/dbraw/zinc/85/75/49/618857549.db2.gz VORMVXCREQSOSP-HIFRSBDPSA-N 1 0 263.381 3.008 20 10 CGCDRO CSCC[C@H](C)[NH2+][C@H](C)c1ccc(C)cc1O ZINC000168789550 618914001 /nfs/dbraw/zinc/91/40/01/618914001.db2.gz SPIOHBWXOBUOIO-NWDGAFQWSA-N 1 0 253.411 3.493 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@@H](C)CCCCO ZINC000840892586 618927662 /nfs/dbraw/zinc/92/76/62/618927662.db2.gz BIRZDYFPOMEKHX-JKSUJKDBSA-N 1 0 292.467 3.133 20 10 CGCDRO C[C@@H]1SCC[C@@H]1[NH2+]Cc1c(O)cccc1Cl ZINC000309814304 618963278 /nfs/dbraw/zinc/96/32/78/618963278.db2.gz AIPNUMUZPZQPHJ-KWQFWETISA-N 1 0 257.786 3.029 20 10 CGCDRO CC[C@H](C[C@H](C)CO)[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000776220680 619117457 /nfs/dbraw/zinc/11/74/57/619117457.db2.gz YRTLAMYAPHXNGH-IINYFYTJSA-N 1 0 285.815 3.241 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]CC(C)(C)CC)c1 ZINC000192352052 619118140 /nfs/dbraw/zinc/11/81/40/619118140.db2.gz XJZNODZQMKWCRR-UHFFFAOYSA-N 1 0 251.370 3.317 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)c1ccc(C)cc1O)[C@H]1CCCO1 ZINC000248493941 619180866 /nfs/dbraw/zinc/18/08/66/619180866.db2.gz KFYCRKZQIBCTBE-IVMMDQJWSA-N 1 0 263.381 3.309 20 10 CGCDRO C[C@H]1SCC[N@H+](Cc2ccc(N(C)C)cc2)[C@H]1C ZINC000093499410 619201371 /nfs/dbraw/zinc/20/13/71/619201371.db2.gz UQOFWMXBGVGONE-QWHCGFSZSA-N 1 0 264.438 3.078 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2COc3ccccc3C2)c(O)c1 ZINC000185224442 619222776 /nfs/dbraw/zinc/22/27/76/619222776.db2.gz GCZSZPPKHWWZCV-HIFRSBDPSA-N 1 0 283.371 3.355 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@]1(C)CCO[C@H]1C1CC1 ZINC000840939846 619231575 /nfs/dbraw/zinc/23/15/75/619231575.db2.gz RPZKGSGBZBQXJJ-ROUUACIJSA-N 1 0 288.435 3.108 20 10 CGCDRO COc1ccc(CC[NH2+][C@H](C)c2cc(F)ccc2O)cc1 ZINC000094616620 619285607 /nfs/dbraw/zinc/28/56/07/619285607.db2.gz UXCSZUHDWCYOPZ-GFCCVEGCSA-N 1 0 289.350 3.433 20 10 CGCDRO CC[C@@H](COC)[NH2+]Cc1ccc(N(CC)CC)c(F)c1 ZINC000237007449 619384463 /nfs/dbraw/zinc/38/44/63/619384463.db2.gz VRWZJRVRGXXUKG-AWEZNQCLSA-N 1 0 282.403 3.187 20 10 CGCDRO COc1ccc(C[NH2+]Cc2cc(C)cc(OC)c2O)cc1 ZINC000894145955 619392836 /nfs/dbraw/zinc/39/28/36/619392836.db2.gz PUYXSFAVKOBJCR-UHFFFAOYSA-N 1 0 287.359 3.008 20 10 CGCDRO COc1cc(C)cc(C[NH2+]Cc2ccccc2F)c1O ZINC000894150798 619393882 /nfs/dbraw/zinc/39/38/82/619393882.db2.gz ROILBWRSROJNLZ-UHFFFAOYSA-N 1 0 275.323 3.138 20 10 CGCDRO CCO[C@H](CC[NH2+]Cc1cc(C)cc(OC)c1O)C(C)C ZINC000894327174 619492927 /nfs/dbraw/zinc/49/29/27/619492927.db2.gz UEZGPJRODQCKSM-OAHLLOKOSA-N 1 0 295.423 3.250 20 10 CGCDRO COc1cc(C)cc(C[NH2+]C[C@@H](C)c2nccs2)c1O ZINC000894461761 619545517 /nfs/dbraw/zinc/54/55/17/619545517.db2.gz WPFOZGLCJPHINS-LLVKDONJSA-N 1 0 292.404 3.059 20 10 CGCDRO CCOc1ccc(C[NH2+][C@H](C)c2cc(OC)ccc2O)o1 ZINC000894501611 619558069 /nfs/dbraw/zinc/55/80/69/619558069.db2.gz BXVPLZNDNNEXCB-LLVKDONJSA-N 1 0 291.347 3.243 20 10 CGCDRO CC[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000894689199 619605316 /nfs/dbraw/zinc/60/53/16/619605316.db2.gz HXGRTVHIVJJQKN-QWHCGFSZSA-N 1 0 293.407 3.325 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)C2)c1O ZINC000895085519 619721089 /nfs/dbraw/zinc/72/10/89/619721089.db2.gz MKAIEJPEZXYUKP-OKILXGFUSA-N 1 0 293.407 3.145 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@](C)(O)CCC(C)C)c1 ZINC000185527961 625370691 /nfs/dbraw/zinc/37/06/91/625370691.db2.gz FYFDAWISSZMVHU-DYVFJYSZSA-N 1 0 295.423 3.239 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCC(=O)OC(C)(C)C)c(O)c1 ZINC000185540542 625372422 /nfs/dbraw/zinc/37/24/22/625372422.db2.gz WFGOMMYCZLPADI-LBPRGKRZSA-N 1 0 279.380 3.083 20 10 CGCDRO COc1cc(C)cc(C[NH2+]Cc2cc(C)ccc2O)c1O ZINC000895392239 619819937 /nfs/dbraw/zinc/81/99/37/619819937.db2.gz NANLCEKEQDKQCQ-UHFFFAOYSA-N 1 0 287.359 3.013 20 10 CGCDRO COc1ccc(C[NH2+][C@H](C)CC2CCC2)c(O)c1OC ZINC000895777496 619884243 /nfs/dbraw/zinc/88/42/43/619884243.db2.gz LRFSCOKQNZKEJT-LLVKDONJSA-N 1 0 279.380 3.078 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2C[C@@H]3CCCC[C@H]23)c(O)c1OC ZINC000896016165 619931464 /nfs/dbraw/zinc/93/14/64/619931464.db2.gz JPSDXQNSYUPDJF-FPMFFAJLSA-N 1 0 291.391 3.078 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@@H]2CCS[C@H](C)C2)c1O ZINC000896953313 620112910 /nfs/dbraw/zinc/11/29/10/620112910.db2.gz XVRLMQBKKNFQPK-DGCLKSJQSA-N 1 0 281.421 3.083 20 10 CGCDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCS[C@H](C)C1 ZINC000896953056 620113016 /nfs/dbraw/zinc/11/30/16/620113016.db2.gz UIWWRYADGXUEFP-VXGBXAGGSA-N 1 0 251.395 3.074 20 10 CGCDRO Cc1cccc(C[NH2+]C[C@@]2(c3ccccc3)CCCO2)c1O ZINC000897236215 620167641 /nfs/dbraw/zinc/16/76/41/620167641.db2.gz CPZLTCAKJKTUFD-LJQANCHMSA-N 1 0 297.398 3.496 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCC(F)(F)C1)c1cc(F)ccc1O ZINC000310948119 620349100 /nfs/dbraw/zinc/34/91/00/620349100.db2.gz LIUIOQPJXJNLKQ-PSASIEDQSA-N 1 0 259.271 3.370 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CC2(C3(O)CCC3)CC2)cc1Cl ZINC000897528143 620372563 /nfs/dbraw/zinc/37/25/63/620372563.db2.gz XJLWXWKSUKNIAB-UHFFFAOYSA-N 1 0 295.810 3.139 20 10 CGCDRO CO[C@H](C[NH2+][C@@H]1CCc2cccc(O)c21)CC(C)C ZINC000841756518 620402617 /nfs/dbraw/zinc/40/26/17/620402617.db2.gz WSAUOIVAXROELW-UONOGXRCSA-N 1 0 263.381 3.030 20 10 CGCDRO Oc1c(Cl)cccc1CN1CC[NH2+]Cc2ccccc21 ZINC000841035809 620419899 /nfs/dbraw/zinc/41/98/99/620419899.db2.gz MWSVCUCYQSXBTD-UHFFFAOYSA-N 1 0 288.778 3.155 20 10 CGCDRO CC1(C)C[C@@H]([NH2+]Cc2ccccc2O)CCS1 ZINC000897799141 620434010 /nfs/dbraw/zinc/43/40/10/620434010.db2.gz CMBYDZZILVFXEE-LBPRGKRZSA-N 1 0 251.395 3.156 20 10 CGCDRO [O-]c1c(Cl)cccc1C[NH2+][C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000897954426 620454736 /nfs/dbraw/zinc/45/47/36/620454736.db2.gz DUEQGIWLDDXPRA-UFGOTCBOSA-N 1 0 251.757 3.324 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCc2cccnc2C)c(Cl)c1 ZINC000898251770 620497631 /nfs/dbraw/zinc/49/76/31/620497631.db2.gz LGRMIWPEMLNXDX-UHFFFAOYSA-N 1 0 290.794 3.390 20 10 CGCDRO CC[C@@](C)(C[NH2+][C@H](C)c1ccc(N(C)C)cc1)OC ZINC000322964046 620527027 /nfs/dbraw/zinc/52/70/27/620527027.db2.gz VIGGKROMRVWCGS-CJNGLKHVSA-N 1 0 264.413 3.218 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2csc(N)n2)c1O ZINC000902501006 621347662 /nfs/dbraw/zinc/34/76/62/621347662.db2.gz ZEDQEDCLQITTKP-QMMMGPOBSA-N 1 0 297.811 3.244 20 10 CGCDRO CO[C@H]1CC[C@H]1[N@H+](C)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000902634849 621389905 /nfs/dbraw/zinc/38/99/05/621389905.db2.gz UDIJLUSQNGPHHY-HIFRSBDPSA-N 1 0 293.407 3.005 20 10 CGCDRO CCO[C@H]1CCC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000902784010 621439690 /nfs/dbraw/zinc/43/96/90/621439690.db2.gz MEWUJEHCCSKLGN-HOTGVXAUSA-N 1 0 275.392 3.059 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2cc(N(C)C)ccn2)c1 ZINC000903198410 621623225 /nfs/dbraw/zinc/62/32/25/621623225.db2.gz KTZLWSSPDZMEPZ-ZDUSSCGKSA-N 1 0 285.391 3.012 20 10 CGCDRO Cn1cnc2cc(C[NH2+][C@@H]3CCc4cccc(O)c43)ccc21 ZINC000903202823 621625581 /nfs/dbraw/zinc/62/55/81/621625581.db2.gz JSRDHFRXSKFVPP-CQSZACIVSA-N 1 0 293.370 3.056 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCN(C)[C@H]1C)c1cc2c(cc1O)CCCC2 ZINC000903299640 621667284 /nfs/dbraw/zinc/66/72/84/621667284.db2.gz BXSPWOFFTKFWEO-DCGLDWPTSA-N 1 0 288.435 3.014 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2ccc3nonc3c2)c(O)c1 ZINC000903324753 621678465 /nfs/dbraw/zinc/67/84/65/621678465.db2.gz JPQQCODMOWZDBJ-LBPRGKRZSA-N 1 0 297.358 3.396 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H](c2ncccn2)C2CC2)c(O)c1 ZINC000903326410 621700434 /nfs/dbraw/zinc/70/04/34/621700434.db2.gz LQNJEZVSOGMJOT-LRDDRELGSA-N 1 0 283.375 3.293 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cn(C)cn1)c1cc(Cl)ccc1O ZINC000903353216 621710451 /nfs/dbraw/zinc/71/04/51/621710451.db2.gz ZSQFVAZLJPXCSA-CYBMUJFWSA-N 1 0 279.771 3.020 20 10 CGCDRO CC[C@@H](C[NH2+][C@H](C)c1ccccc1O)C(=O)OC(C)(C)C ZINC000903354905 621712253 /nfs/dbraw/zinc/71/22/53/621712253.db2.gz YWTTUXJUBATKGK-OLZOCXBDSA-N 1 0 293.407 3.411 20 10 CGCDRO CC[C@H]1CCCC[C@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000042879948 621885370 /nfs/dbraw/zinc/88/53/70/621885370.db2.gz BRMVSNWALVSEQO-WCQYABFASA-N 1 0 277.364 3.179 20 10 CGCDRO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000042879939 621885643 /nfs/dbraw/zinc/88/56/43/621885643.db2.gz BRMVSNWALVSEQO-YPMHNXCESA-N 1 0 277.364 3.179 20 10 CGCDRO Nc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000904377029 621916452 /nfs/dbraw/zinc/91/64/52/621916452.db2.gz HUEXEDCJUCNUNZ-SFHVURJKSA-N 1 0 294.398 3.371 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](CCO)C2CCCC2)cc1 ZINC000768139296 625527195 /nfs/dbraw/zinc/52/71/95/625527195.db2.gz YSWPKZLCXWPBBA-UHFFFAOYSA-N 1 0 290.451 3.270 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1CCCS1)c1ccc(N(C)C)cc1 ZINC000149725750 622376294 /nfs/dbraw/zinc/37/62/94/622376294.db2.gz RUCNLGHOYGVYMD-DOMZBBRYSA-N 1 0 264.438 3.299 20 10 CGCDRO CO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)C1(C)C ZINC000224518222 622878851 /nfs/dbraw/zinc/87/88/51/622878851.db2.gz MMHIEBHANHRFOF-VBNZEHGJSA-N 1 0 276.424 3.217 20 10 CGCDRO COc1ccc(O)c(C[NH2+]CC2(C)CCCCC2)c1 ZINC000224911953 622890565 /nfs/dbraw/zinc/89/05/65/622890565.db2.gz KEMHDNOOTSFFMB-UHFFFAOYSA-N 1 0 263.381 3.461 20 10 CGCDRO CS[C@@H]1CC[C@@H]([NH2+]Cc2c(C)cccc2O)C1 ZINC000877068092 622932400 /nfs/dbraw/zinc/93/24/00/622932400.db2.gz LRWBPWOFHMARKF-VXGBXAGGSA-N 1 0 251.395 3.074 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+]CCCC2(O)CCC2)c1O ZINC000817415606 625607789 /nfs/dbraw/zinc/60/77/89/625607789.db2.gz ZZCFPHXZSMHJKX-UHFFFAOYSA-N 1 0 283.799 3.139 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]Cc1cccc2cccnc21 ZINC000226619406 622987599 /nfs/dbraw/zinc/98/75/99/622987599.db2.gz IDMVZOOCILJJRV-UHFFFAOYSA-N 1 0 282.318 3.369 20 10 CGCDRO CC[C@H](CCO)[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000168794945 623015520 /nfs/dbraw/zinc/01/55/20/623015520.db2.gz DZFTWMOQTNULBP-GXTWGEPZSA-N 1 0 273.376 3.357 20 10 CGCDRO Oc1ccc(Cl)cc1CN1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000063188264 623304961 /nfs/dbraw/zinc/30/49/61/623304961.db2.gz DVNCOAWPKOPVCQ-GJZGRUSLSA-N 1 0 294.826 3.152 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)CN(C)C(C)C)c1ccccc1O ZINC000311703087 623461306 /nfs/dbraw/zinc/46/13/06/623461306.db2.gz MMNZGLQXMBKPRM-HIFRSBDPSA-N 1 0 264.413 3.162 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H]3C[C@H]3C2)c(Cl)c1 ZINC000827506874 623465283 /nfs/dbraw/zinc/46/52/83/623465283.db2.gz NBQONQCNNFPDDQ-QWRGUYRKSA-N 1 0 251.757 3.196 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H](C(C)C)C2CC2)c1O ZINC000324071688 623500442 /nfs/dbraw/zinc/50/04/42/623500442.db2.gz GHJSWGFPLHBYOK-HNNXBMFYSA-N 1 0 263.381 3.315 20 10 CGCDRO CC[C@H](C[NH2+][C@@H](C)c1ccc(N(C)C)cc1)N1CCCC1 ZINC000151671276 623556583 /nfs/dbraw/zinc/55/65/83/623556583.db2.gz SYSYBRMROLJYDE-DOTOQJQBSA-N 1 0 289.467 3.278 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2O)cc1F ZINC000152237644 623634057 /nfs/dbraw/zinc/63/40/57/623634057.db2.gz RSDURTCOERCZMS-NVXWUHKLSA-N 1 0 294.414 3.065 20 10 CGCDRO CC[C@H]([NH2+]CCN(CC)CC)c1ccc(N(C)C)cc1 ZINC000152810420 623719273 /nfs/dbraw/zinc/71/92/73/623719273.db2.gz HSSHEWFTNCZPKY-KRWDZBQOSA-N 1 0 277.456 3.135 20 10 CGCDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC000921564548 625682612 /nfs/dbraw/zinc/68/26/12/625682612.db2.gz UQZQHNOYLXOUIS-UHFFFAOYSA-N 1 0 298.342 3.210 20 10 CGCDRO COc1ccc(N2CCC[N@H+](CC3CCCC3)CC2)cc1 ZINC000917087809 624237302 /nfs/dbraw/zinc/23/73/02/624237302.db2.gz IHDQQQMLVBGULS-UHFFFAOYSA-N 1 0 288.435 3.398 20 10 CGCDRO COCC[N@H+](CCCc1ccccc1)Cc1ccccc1O ZINC000179564074 624665666 /nfs/dbraw/zinc/66/56/66/624665666.db2.gz XKVTVHFJURCJNU-UHFFFAOYSA-N 1 0 299.414 3.473 20 10 CGCDRO Cc1ccc(C[N@@H+](C)Cc2cc(F)ccc2O)cc1 ZINC000179883449 624694685 /nfs/dbraw/zinc/69/46/85/624694685.db2.gz WSMNQOPVMQVNTH-UHFFFAOYSA-N 1 0 259.324 3.472 20 10 CGCDRO Cc1cnc(C(C)(C)[NH2+]Cc2cccc(C)c2O)s1 ZINC000182552810 625010472 /nfs/dbraw/zinc/01/04/72/625010472.db2.gz ZQCXNIRWFOHURF-UHFFFAOYSA-N 1 0 276.405 3.490 20 10 CGCDRO C[C@@H]([NH2+]CCCOC(F)F)c1cc(Cl)ccc1O ZINC000194033633 625152852 /nfs/dbraw/zinc/15/28/52/625152852.db2.gz ZLIZRCJNAAFHCU-MRVPVSSYSA-N 1 0 279.714 3.326 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCc2ccc3c(c2)OCO3)c1 ZINC000184896743 625279214 /nfs/dbraw/zinc/27/92/14/625279214.db2.gz DWCWZMQYBVVYBX-ZDUSSCGKSA-N 1 0 299.370 3.323 20 10 CGCDRO OCCC1(C[NH2+]Cc2ccc3c(c2)CCCO3)CCCC1 ZINC000921806770 625882374 /nfs/dbraw/zinc/88/23/74/625882374.db2.gz GVLDZNGJEIWWSA-UHFFFAOYSA-N 1 0 289.419 3.044 20 10 CGCDRO c1cc2c(cc1C[NH2+][C@H]1CCO[C@@H](C3CC3)C1)CCCO2 ZINC000922002155 625956917 /nfs/dbraw/zinc/95/69/17/625956917.db2.gz VWQZQBKIMATLSM-FUHWJXTLSA-N 1 0 287.403 3.059 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2cc(C)cnc2Cl)c1 ZINC000922283789 625993123 /nfs/dbraw/zinc/99/31/23/625993123.db2.gz HUPKPODPVZDWBU-UHFFFAOYSA-N 1 0 276.767 3.347 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2ccc3c(c2)CCCO3)o1 ZINC000922308108 625995631 /nfs/dbraw/zinc/99/56/31/625995631.db2.gz MNWHGVZUPJCFCE-UHFFFAOYSA-N 1 0 257.333 3.203 20 10 CGCDRO COC(C)(C)[C@H](C)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000922580022 626015010 /nfs/dbraw/zinc/01/50/10/626015010.db2.gz BFFZKUUEEUDUDU-NPQIQWPPSA-N 1 0 276.424 3.169 20 10 CGCDRO C[C@]1(C[NH2+]Cc2cc(Cl)ccc2O)CCCCO1 ZINC000922816235 626050558 /nfs/dbraw/zinc/05/05/58/626050558.db2.gz HUXDKPDINRZJOM-CQSZACIVSA-N 1 0 269.772 3.094 20 10 CGCDRO COc1cccc(C[NH2+][C@@H]2CCSC3(CCC3)C2)c1O ZINC000922844770 626058330 /nfs/dbraw/zinc/05/83/30/626058330.db2.gz IDNGTHUWXABCAX-CYBMUJFWSA-N 1 0 293.432 3.309 20 10 CGCDRO C[C@@]1([NH2+]Cc2ccccc2O)CCOc2ccccc21 ZINC000923027085 626121663 /nfs/dbraw/zinc/12/16/63/626121663.db2.gz XUWKEQALYZLLDX-QGZVFWFLSA-N 1 0 269.344 3.180 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(F)cn2)c(O)c1C ZINC000756657752 626162367 /nfs/dbraw/zinc/16/23/67/626162367.db2.gz FXOVPEIUDXCXLE-GFCCVEGCSA-N 1 0 274.339 3.394 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)c1 ZINC000020092382 634482776 /nfs/dbraw/zinc/48/27/76/634482776.db2.gz FAKCQOFIIMTOPJ-TYNCELHUSA-N 1 0 263.381 3.315 20 10 CGCDRO C[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)c1ccn(C)n1 ZINC000840814969 626247105 /nfs/dbraw/zinc/24/71/05/626247105.db2.gz AOGNRKKPMNZCLF-NRUUGDAUSA-N 1 0 289.354 3.164 20 10 CGCDRO CCC[N@H+](CCn1cc(Cl)cn1)Cc1ccccc1O ZINC000838859588 626270670 /nfs/dbraw/zinc/27/06/70/626270670.db2.gz MQDYIYJMYJLCFR-UHFFFAOYSA-N 1 0 293.798 3.154 20 10 CGCDRO COc1cccc(O)c1C[NH+]1CC(Cc2ccccc2C)C1 ZINC000839130886 626321165 /nfs/dbraw/zinc/32/11/65/626321165.db2.gz DAPQDWIRGHDPFX-UHFFFAOYSA-N 1 0 297.398 3.384 20 10 CGCDRO CCC1(CC)C[NH+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000839132777 626322014 /nfs/dbraw/zinc/32/20/14/626322014.db2.gz RHDOGSIIUKOQOM-UHFFFAOYSA-N 1 0 288.435 3.145 20 10 CGCDRO C[C@H]1C[N@H+](Cc2c(O)ccc3ccncc32)C[C@H]1C ZINC000751930828 626412266 /nfs/dbraw/zinc/41/22/66/626412266.db2.gz UXDCTYAQDLZEQA-TXEJJXNPSA-N 1 0 256.349 3.028 20 10 CGCDRO CCc1cc(C[N@@H+]2CC[C@@H](OC)C2)c(O)c(C(C)(C)C)c1 ZINC000751943785 626412563 /nfs/dbraw/zinc/41/25/63/626412563.db2.gz LVGQMERMXWHXHD-OAHLLOKOSA-N 1 0 291.435 3.473 20 10 CGCDRO COc1ccc(O)c(C[N@H+](C)Cc2ccc(F)cc2C)c1 ZINC000754153994 626561353 /nfs/dbraw/zinc/56/13/53/626561353.db2.gz LRDBXKWGGSNDBJ-UHFFFAOYSA-N 1 0 289.350 3.480 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CCCCC[C@@H]2C)c1O ZINC000754741750 626586016 /nfs/dbraw/zinc/58/60/16/626586016.db2.gz NDBSBMRABNOBHD-ZDUSSCGKSA-N 1 0 263.381 3.474 20 10 CGCDRO CC(C)OCCC[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756352687 626695308 /nfs/dbraw/zinc/69/53/08/626695308.db2.gz WDDSYKQPYUGFGZ-WCQYABFASA-N 1 0 281.371 3.484 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCCO2)c2c1c(F)ccc2O ZINC000756402913 626702025 /nfs/dbraw/zinc/70/20/25/626702025.db2.gz ZQRQINFIMLENNS-WZRBSPASSA-N 1 0 279.355 3.238 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCN2CCC(C)CC2)c(O)c1C ZINC000756419547 626704638 /nfs/dbraw/zinc/70/46/38/626704638.db2.gz VHUMTGVLLYPWAS-MRXNPFEDSA-N 1 0 290.451 3.392 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCOC2)c2c1c(F)ccc2O ZINC000756440448 626706058 /nfs/dbraw/zinc/70/60/58/626706058.db2.gz DUTKIFHKALTLOK-WZRBSPASSA-N 1 0 279.355 3.096 20 10 CGCDRO CC(C)C[C@H](O)C[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000756498729 626709986 /nfs/dbraw/zinc/70/99/86/626709986.db2.gz WWDJVQLRIXOVIX-CJNGLKHVSA-N 1 0 291.435 3.329 20 10 CGCDRO COCC[C@H](C)[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756525562 626712071 /nfs/dbraw/zinc/71/20/71/626712071.db2.gz IJOLYJWDFSVXJD-JBLDHEPKSA-N 1 0 267.344 3.094 20 10 CGCDRO CCN(CC)C[C@H](C)[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756536409 626713458 /nfs/dbraw/zinc/71/34/58/626713458.db2.gz VKAUFONCDBLXJZ-OBJOEFQTSA-N 1 0 294.414 3.400 20 10 CGCDRO CCc1cc(C[NH2+][C@H](C)c2cc(Cl)ccc2O)[nH]n1 ZINC000756570340 626716288 /nfs/dbraw/zinc/71/62/88/626716288.db2.gz AQXVQRYJNCLLEC-SECBINFHSA-N 1 0 279.771 3.182 20 10 CGCDRO CC[C@H](C)[C@@](C)(O)C[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000756576803 626717738 /nfs/dbraw/zinc/71/77/38/626717738.db2.gz PARDEROACAMPFW-RWSFTLGLSA-N 1 0 285.815 3.493 20 10 CGCDRO CC[C@H](COC)[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756591140 626718676 /nfs/dbraw/zinc/71/86/76/626718676.db2.gz FDTTTWNPHAYDRA-CKYFFXLPSA-N 1 0 267.344 3.094 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]C[C@@H](O)CC(C)(C)C)c2c1c(F)ccc2O ZINC000756590528 626718826 /nfs/dbraw/zinc/71/88/26/626718826.db2.gz OATXPIADEUITHN-MDZLAQPJSA-N 1 0 295.398 3.466 20 10 CGCDRO COC[C@H]([NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F)C(C)C ZINC000756597024 626719109 /nfs/dbraw/zinc/71/91/09/626719109.db2.gz JGSGJFLZZAIPRF-DRZSPHRISA-N 1 0 281.371 3.340 20 10 CGCDRO CC[C@H](C[C@@H](C)CO)[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000756627131 626721510 /nfs/dbraw/zinc/72/15/10/626721510.db2.gz QXCJJJOMFLJOLF-BYCMXARLSA-N 1 0 279.424 3.457 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](C)c2ccncc2)c1 ZINC000756636988 626722892 /nfs/dbraw/zinc/72/28/92/626722892.db2.gz YKTXEHKUDOTOQC-QWHCGFSZSA-N 1 0 286.375 3.250 20 10 CGCDRO CCn1cc(C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)cn1 ZINC000756732709 626728426 /nfs/dbraw/zinc/72/84/26/626728426.db2.gz JWMXXZZMXCPZAA-MFKMUULPSA-N 1 0 289.354 3.086 20 10 CGCDRO C[C@H]([NH2+][C@H](CO)CC1CC1)c1ccc2ccccc2c1O ZINC000756770632 626730592 /nfs/dbraw/zinc/73/05/92/626730592.db2.gz YSVZKQCODLHEMR-WFASDCNBSA-N 1 0 285.387 3.357 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCc2cnc(C3CC3)nc2)c1 ZINC000756769366 626730821 /nfs/dbraw/zinc/73/08/21/626730821.db2.gz KZNJOXMABHOVHD-ZDUSSCGKSA-N 1 0 297.402 3.261 20 10 CGCDRO COCC1([NH2+][C@@H](C)c2ccc3ccccc3c2O)CC1 ZINC000756849770 626737234 /nfs/dbraw/zinc/73/72/34/626737234.db2.gz DXMDQFFDPJEPGM-LBPRGKRZSA-N 1 0 271.360 3.375 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)cc1C ZINC000756880031 626738992 /nfs/dbraw/zinc/73/89/92/626738992.db2.gz DXYUYZLPXJVVIZ-HOCLYGCPSA-N 1 0 275.392 3.010 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCOC2)c2c1c(F)ccc2O ZINC000757658919 626798487 /nfs/dbraw/zinc/79/84/87/626798487.db2.gz VJDLZNFGPHVPGH-NTZNESFSSA-N 1 0 279.355 3.096 20 10 CGCDRO COc1ccc(O)c(C[NH2+]CCC2CCC(OC)CC2)c1 ZINC000757984775 626819825 /nfs/dbraw/zinc/81/98/25/626819825.db2.gz KEXXFWKKEGETDK-UHFFFAOYSA-N 1 0 293.407 3.086 20 10 CGCDRO COC1CCC(CC[NH2+]Cc2cc(F)ccc2O)CC1 ZINC000757986632 626819945 /nfs/dbraw/zinc/81/99/45/626819945.db2.gz VUYKYZSNMKKYSL-UHFFFAOYSA-N 1 0 281.371 3.216 20 10 CGCDRO COc1cccc(C[NH2+][C@@H](C)C2CCSCC2)c1O ZINC000809740406 626908237 /nfs/dbraw/zinc/90/82/37/626908237.db2.gz XWVBPGHNQZJXMB-NSHDSACASA-N 1 0 281.421 3.022 20 10 CGCDRO CSCCCC[NH2+]Cc1c(O)cccc1Cl ZINC000124935010 634533834 /nfs/dbraw/zinc/53/38/34/634533834.db2.gz UGAYBCHYQPGECX-UHFFFAOYSA-N 1 0 259.802 3.278 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCOC(C)(C)[C@H]2C)cc1C ZINC000763214686 627145558 /nfs/dbraw/zinc/14/55/58/627145558.db2.gz ZAUIRKWSXPYRGG-CYBMUJFWSA-N 1 0 263.381 3.008 20 10 CGCDRO c1n[nH]c2c1CCC[C@@H]2[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000765280958 627244961 /nfs/dbraw/zinc/24/49/61/627244961.db2.gz MZTNEPFGOVBHPI-KRWDZBQOSA-N 1 0 296.418 3.177 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CC(C)(C)OC2(C)C)cc1F ZINC000765473590 627251501 /nfs/dbraw/zinc/25/15/01/627251501.db2.gz HNZKAHCKXZLUNM-OAHLLOKOSA-N 1 0 294.414 3.327 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCCCN2C2CC2)cc1C ZINC000766226580 627305579 /nfs/dbraw/zinc/30/55/79/627305579.db2.gz SBRUXTIJKIMAKQ-KRWDZBQOSA-N 1 0 288.435 3.116 20 10 CGCDRO C[C@H]1CC[N@H+](Cc2c(O)ccc3ccncc32)C[C@H]1C ZINC000766375150 627324074 /nfs/dbraw/zinc/32/40/74/627324074.db2.gz RMJZWWZWNZJPLE-QWHCGFSZSA-N 1 0 270.376 3.418 20 10 CGCDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000768143535 627462997 /nfs/dbraw/zinc/46/29/97/627462997.db2.gz LMTBXVTZECEXAG-LBPRGKRZSA-N 1 0 250.361 3.266 20 10 CGCDRO COc1ccc(C[N@H+](C)Cc2cc(C)ccc2O)cc1F ZINC000768198673 627467824 /nfs/dbraw/zinc/46/78/24/627467824.db2.gz CQHKJZNNUCMRDT-UHFFFAOYSA-N 1 0 289.350 3.480 20 10 CGCDRO COc1cccc(O)c1C[N@H+](Cc1ccc(C)o1)C1CC1 ZINC000768264443 627471874 /nfs/dbraw/zinc/47/18/74/627471874.db2.gz PERIGWAASYIPLY-UHFFFAOYSA-N 1 0 287.359 3.467 20 10 CGCDRO COc1cc(O)c(C[N@H+](C)[C@H](C)C(C)(C)C)cc1OC ZINC000768442408 627480499 /nfs/dbraw/zinc/48/04/99/627480499.db2.gz UWXWWLRQQYYVCX-LLVKDONJSA-N 1 0 281.396 3.276 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H]2C(C)C)cc1OC ZINC000768444808 627480625 /nfs/dbraw/zinc/48/06/25/627480625.db2.gz YMIPFWHPXBKLLR-ZDUSSCGKSA-N 1 0 279.380 3.030 20 10 CGCDRO CCn1cc(C[N@H+](C)Cc2cc3c(cc2O)CCCC3)cn1 ZINC000768447123 627480816 /nfs/dbraw/zinc/48/08/16/627480816.db2.gz MLSIZVUFGRMBQL-UHFFFAOYSA-N 1 0 299.418 3.119 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H](C)OC[C@H]2C)cc1 ZINC000768537118 627485160 /nfs/dbraw/zinc/48/51/60/627485160.db2.gz MNGXCONBYSOTOP-HUUCEWRRSA-N 1 0 276.424 3.142 20 10 CGCDRO CCOc1ccc(C[N@H+](C)Cc2ccccc2O)c(O)c1 ZINC000768874051 627505413 /nfs/dbraw/zinc/50/54/13/627505413.db2.gz ZKKASMWAONJBFW-UHFFFAOYSA-N 1 0 287.359 3.129 20 10 CGCDRO COc1cccc(O)c1C[N@H+](C)CCc1ccc(F)cc1 ZINC000768921493 627509146 /nfs/dbraw/zinc/50/91/46/627509146.db2.gz XSFWMJHFMPDVHN-UHFFFAOYSA-N 1 0 289.350 3.214 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CCOc3ccccc3C2)c(O)c1 ZINC000768940969 627510791 /nfs/dbraw/zinc/51/07/91/627510791.db2.gz NGXPWIRCVCMHGN-UHFFFAOYSA-N 1 0 299.370 3.186 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000769103314 627522693 /nfs/dbraw/zinc/52/26/93/627522693.db2.gz VOFGYHDYWVFIND-OCCSQVGLSA-N 1 0 261.365 3.165 20 10 CGCDRO CCOc1ccc(C[NH+]2Cc3ccccc3C2)c(O)c1 ZINC000769337484 627543454 /nfs/dbraw/zinc/54/34/54/627543454.db2.gz JKASIIWXFWUYBS-UHFFFAOYSA-N 1 0 269.344 3.307 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CCOC[C@@H]2CC(C)C)c(O)c1 ZINC000769399375 627548440 /nfs/dbraw/zinc/54/84/40/627548440.db2.gz PQLZYNJGYURZHK-HNNXBMFYSA-N 1 0 293.407 3.038 20 10 CGCDRO Oc1ccc(-c2ccccc2)cc1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000769433420 627551654 /nfs/dbraw/zinc/55/16/54/627551654.db2.gz JLKPLBDCOFGCOQ-HDICACEKSA-N 1 0 295.382 3.422 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)C[C@@H](C)COC)cc1 ZINC000769534560 627563464 /nfs/dbraw/zinc/56/34/64/627563464.db2.gz WDUAUHIYLRMCKF-OAHLLOKOSA-N 1 0 278.440 3.247 20 10 CGCDRO CCCN(CCC)c1ccc(C[N@@H+]2CC[C@@](C)(O)C2)cc1 ZINC000769542526 627564694 /nfs/dbraw/zinc/56/46/94/627564694.db2.gz KCCUKLNAPZCCDM-GOSISDBHSA-N 1 0 290.451 3.270 20 10 CGCDRO C[C@@H]([NH2+]CCCC1CC1)c1ccc(N2CCOCC2)cc1 ZINC000773001171 627839982 /nfs/dbraw/zinc/83/99/82/627839982.db2.gz OFIUXQDRGPIFLX-OAHLLOKOSA-N 1 0 288.435 3.364 20 10 CGCDRO COc1ccc(N2CCC([NH2+]CC3(C)CC3)CC2)cc1 ZINC000773043873 627845848 /nfs/dbraw/zinc/84/58/48/627845848.db2.gz VLVZXTUJVGMOGD-UHFFFAOYSA-N 1 0 274.408 3.054 20 10 CGCDRO C[C@H]([NH2+]Cc1cccc(F)n1)c1ccc(N(C)C)cc1 ZINC000773087429 627854277 /nfs/dbraw/zinc/85/42/77/627854277.db2.gz LTWHKFUDSIEFIH-LBPRGKRZSA-N 1 0 273.355 3.138 20 10 CGCDRO CC[C@H](CSC)[N@H+](C)Cc1cc(OC)c(C)cc1O ZINC000773258285 627869607 /nfs/dbraw/zinc/86/96/07/627869607.db2.gz PWKBNVUIPHMGPL-CYBMUJFWSA-N 1 0 283.437 3.283 20 10 CGCDRO CCCCn1cc(C[NH2+]Cc2ccc3c(c2)CCO3)c(C)n1 ZINC000773411283 627881309 /nfs/dbraw/zinc/88/13/09/627881309.db2.gz YVUKAJBGURGUCV-UHFFFAOYSA-N 1 0 299.418 3.216 20 10 CGCDRO CCc1cnccc1[C@@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000773428105 627883340 /nfs/dbraw/zinc/88/33/40/627883340.db2.gz NZBJDOIMZCDHBZ-CYBMUJFWSA-N 1 0 282.387 3.430 20 10 CGCDRO CCN(C)c1ccc(C[N@H+](C)[C@H](CO)c2ccccc2)cc1 ZINC000773749378 627910528 /nfs/dbraw/zinc/91/05/28/627910528.db2.gz USSJEQMBXHLWOC-LJQANCHMSA-N 1 0 298.430 3.308 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCS[C@H](C)CC2)cc1 ZINC000773889664 627925227 /nfs/dbraw/zinc/92/52/27/627925227.db2.gz ZVIMPNVNMOXFKQ-CQSZACIVSA-N 1 0 278.465 3.470 20 10 CGCDRO CSc1ccc(C[NH2+]Cc2ccccc2O)s1 ZINC000810141619 628015759 /nfs/dbraw/zinc/01/57/59/628015759.db2.gz DRVMILHIAGBWHQ-UHFFFAOYSA-N 1 0 265.403 3.465 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc2[nH]cnc2c1)c1ccc(N(C)C)cc1 ZINC000775361138 628086203 /nfs/dbraw/zinc/08/62/03/628086203.db2.gz APYQPTQVDDVAMS-CYBMUJFWSA-N 1 0 294.402 3.480 20 10 CGCDRO CC[C@@H]([NH2+]Cc1c(C)nn(CC)c1C)c1ccccc1O ZINC000775499755 628101108 /nfs/dbraw/zinc/10/11/08/628101108.db2.gz VIBZSXZOCUDTLD-MRXNPFEDSA-N 1 0 287.407 3.466 20 10 CGCDRO CC[C@@H]([NH2+]C[C@](C)(O)CC)c1cc(Cl)ccc1O ZINC000775502849 628101967 /nfs/dbraw/zinc/10/19/67/628101967.db2.gz WLBYEGKZGLIZMR-TZMCWYRMSA-N 1 0 271.788 3.247 20 10 CGCDRO CC[C@H]([NH2+]CC1(O)CCCC1)c1cc(Cl)ccc1O ZINC000775503943 628102043 /nfs/dbraw/zinc/10/20/43/628102043.db2.gz QSFIEOBLEDCWSA-ZDUSSCGKSA-N 1 0 283.799 3.391 20 10 CGCDRO CC[C@H]([NH2+]C[C@H](C)CCO)c1cc(Cl)ccc1O ZINC000775514327 628102346 /nfs/dbraw/zinc/10/23/46/628102346.db2.gz ZACPOGKAOZSIGX-MFKMUULPSA-N 1 0 271.788 3.105 20 10 CGCDRO CC[C@H]([NH2+]CCN1CC[C@@H](C)C1)c1cc(Cl)ccc1O ZINC000775513667 628102522 /nfs/dbraw/zinc/10/25/22/628102522.db2.gz RSKFEPDQYRCNMJ-DOMZBBRYSA-N 1 0 296.842 3.428 20 10 CGCDRO CC[C@H]([NH2+]CCc1cnc(C2CC2)nc1)c1ccccc1O ZINC000775525111 628104334 /nfs/dbraw/zinc/10/43/34/628104334.db2.gz XYRWIIPXAUBTNZ-INIZCTEOSA-N 1 0 297.402 3.343 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H]2c2ccccc2)c1 ZINC000775633841 628117833 /nfs/dbraw/zinc/11/78/33/628117833.db2.gz LVWACEGGXHYKLH-MRXNPFEDSA-N 1 0 269.344 3.348 20 10 CGCDRO Cc1cccc(C[N@H+](C)CCOc2ccc(F)cc2)c1O ZINC000775646984 628119177 /nfs/dbraw/zinc/11/91/77/628119177.db2.gz PDQVOAZVIPXFKZ-UHFFFAOYSA-N 1 0 289.350 3.351 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2cccc(C)c2O)cc1F ZINC000775828849 628140341 /nfs/dbraw/zinc/14/03/41/628140341.db2.gz STMOSFXODIJSGQ-UHFFFAOYSA-N 1 0 259.324 3.438 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CC[C@H](C)[C@H]2CC)c(O)c1 ZINC000775997561 628156574 /nfs/dbraw/zinc/15/65/74/628156574.db2.gz BEHIRCIVPCVMBX-SWLSCSKDSA-N 1 0 263.381 3.411 20 10 CGCDRO COc1ccc(C[NH2+]Cc2ccc(OC)cc2O)c(C)c1 ZINC000776253402 628185189 /nfs/dbraw/zinc/18/51/89/628185189.db2.gz OTDIVDACEIYDGV-UHFFFAOYSA-N 1 0 287.359 3.008 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCO[C@@H](C3CC3)C2)cc1 ZINC000777222412 628256820 /nfs/dbraw/zinc/25/68/20/628256820.db2.gz SCQICZZHITVPEK-GOSISDBHSA-N 1 0 288.435 3.144 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2CC[C@@H](C)[C@@H](F)C2)cc1C ZINC000777965966 628316972 /nfs/dbraw/zinc/31/69/72/628316972.db2.gz BXLBNRZJGDLMEQ-YGRLFVJLSA-N 1 0 251.345 3.189 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc3c(c2)COC3)c1 ZINC000778237047 628336823 /nfs/dbraw/zinc/33/68/23/628336823.db2.gz PPKKOJRUTVRUSS-GFCCVEGCSA-N 1 0 299.370 3.282 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1C[C@@H](O)C1(C)C)c1cc(Cl)ccc1O ZINC000779063579 628385990 /nfs/dbraw/zinc/38/59/90/628385990.db2.gz HBYYUXJYUIAHFQ-IACUBPJLSA-N 1 0 283.799 3.246 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000779102541 628388687 /nfs/dbraw/zinc/38/86/87/628388687.db2.gz SAUMLSUZYWHOKY-MRXNPFEDSA-N 1 0 272.323 3.167 20 10 CGCDRO OCC[C@H]1CCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000779201938 628394041 /nfs/dbraw/zinc/39/40/41/628394041.db2.gz IYVXRFKPOJAKST-QGZVFWFLSA-N 1 0 288.435 3.024 20 10 CGCDRO CC(C)(C)[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C[C@@H]1O ZINC000779432241 628413403 /nfs/dbraw/zinc/41/34/03/628413403.db2.gz PQLMPRHVHGSJDG-HIFRSBDPSA-N 1 0 297.826 3.275 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)c2cncc(F)c2)c1 ZINC000781639495 628581508 /nfs/dbraw/zinc/58/15/08/628581508.db2.gz RVKMUQKTNPGMDQ-NSHDSACASA-N 1 0 260.312 3.086 20 10 CGCDRO Cc1nccnc1[C@H](C)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000783294265 628700283 /nfs/dbraw/zinc/70/02/83/628700283.db2.gz IWYASSDZHZDYGM-OCCSQVGLSA-N 1 0 284.407 3.263 20 10 CGCDRO CC[N@H+](CC[C@H]1CCOC1)Cc1ccc(N(C)C)cc1 ZINC000783506525 628719437 /nfs/dbraw/zinc/71/94/37/628719437.db2.gz LKULOZKKVXHUQS-INIZCTEOSA-N 1 0 276.424 3.001 20 10 CGCDRO C[C@H]([NH2+]CCN1[C@H](C)CCC[C@@H]1C)c1ccccc1O ZINC000783509311 628719719 /nfs/dbraw/zinc/71/97/19/628719719.db2.gz RRSQYEPJPARYMW-ZNMIVQPWSA-N 1 0 276.424 3.306 20 10 CGCDRO C[C@@H]([NH2+]Cc1cnn(CC(F)(F)F)c1)c1ccccc1O ZINC000783518419 628720605 /nfs/dbraw/zinc/72/06/05/628720605.db2.gz AOKRJROQKPUFNN-SNVBAGLBSA-N 1 0 299.296 3.002 20 10 CGCDRO Cc1noc(C)c1CCC[NH2+][C@H](C)c1ccccc1O ZINC000783518520 628720886 /nfs/dbraw/zinc/72/08/86/628720886.db2.gz CYHJQBWBNUKTJS-LLVKDONJSA-N 1 0 274.364 3.280 20 10 CGCDRO C[C@H](CCNCc1c(O)cccc1Cl)[NH+]1CCCCC1 ZINC000784669866 628828086 /nfs/dbraw/zinc/82/80/86/628828086.db2.gz BLDQCTAYHPAXQW-CYBMUJFWSA-N 1 0 296.842 3.400 20 10 CGCDRO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000785988326 628905849 /nfs/dbraw/zinc/90/58/49/628905849.db2.gz LDHGCYRJTZTLAG-UHIISALHSA-N 1 0 283.799 3.027 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2CCc3ccccc3OC2)cc1C ZINC000786821421 628965470 /nfs/dbraw/zinc/96/54/70/628965470.db2.gz LXANABXBEPERIY-KRWDZBQOSA-N 1 0 297.398 3.487 20 10 CGCDRO CO[C@@H](CC[NH2+][C@@H](C)c1cc(C)ccc1O)C(F)(F)F ZINC000786954573 628972257 /nfs/dbraw/zinc/97/22/57/628972257.db2.gz STGWREKZJRJRNT-GWCFXTLKSA-N 1 0 291.313 3.319 20 10 CGCDRO CC(C)[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)C(C)(C)O ZINC000790701334 629225656 /nfs/dbraw/zinc/22/56/56/629225656.db2.gz KPPRKKUMOHPCCC-XAGWURHQSA-N 1 0 295.398 3.465 20 10 CGCDRO COCC[N@H+](Cc1cc(C)ccc1O)[C@@H]1CC[C@@H](C)C1 ZINC000792193004 629348081 /nfs/dbraw/zinc/34/80/81/629348081.db2.gz PNNIQZQQIZNEML-GDBMZVCRSA-N 1 0 277.408 3.338 20 10 CGCDRO C[C@H]1C[NH+](Cc2cc(F)ccc2O)C[C@H](C)C1(F)F ZINC000862442265 629374340 /nfs/dbraw/zinc/37/43/40/629374340.db2.gz HDPCKYWAGNTGRC-UWVGGRQHSA-N 1 0 273.298 3.254 20 10 CGCDRO COc1cccc(C[NH+]2C[C@H](C)C(F)(F)[C@@H](C)C2)c1O ZINC000862444263 629376370 /nfs/dbraw/zinc/37/63/70/629376370.db2.gz UEDWPGCFTBDDOU-QWRGUYRKSA-N 1 0 285.334 3.124 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CS[C@H](C(C)C)C2)c1 ZINC000862478860 629384841 /nfs/dbraw/zinc/38/48/41/629384841.db2.gz SYSLJNOUPNNRRU-ZFWWWQNUSA-N 1 0 265.422 3.320 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)cc1Cl ZINC000862516884 629390264 /nfs/dbraw/zinc/39/02/64/629390264.db2.gz ANIUTYZCCZROFV-LMCGPQHNSA-N 1 0 283.799 3.256 20 10 CGCDRO COc1ccc(C[NH2+]Cc2cc(C)ccc2C)c(O)c1 ZINC000793388159 629453049 /nfs/dbraw/zinc/45/30/49/629453049.db2.gz NOFCOAAVPUXTBT-UHFFFAOYSA-N 1 0 271.360 3.307 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c1 ZINC000793530435 629477414 /nfs/dbraw/zinc/47/74/14/629477414.db2.gz OBIWNQYXLBMAOT-DZGCQCFKSA-N 1 0 281.346 3.486 20 10 CGCDRO C[C@]12CC[N@H+](Cc3cc4c(cc3O)CCC4)C[C@H]1C2(F)F ZINC000793534695 629478230 /nfs/dbraw/zinc/47/82/30/629478230.db2.gz UZSNWFVJUWWKTM-CVEARBPZSA-N 1 0 293.357 3.358 20 10 CGCDRO COc1cc(C[N@@H+]2CCC[C@@H](CSC)C2)c(O)cc1C ZINC000793795962 629501946 /nfs/dbraw/zinc/50/19/46/629501946.db2.gz JDJQXLYBOKWBQD-CYBMUJFWSA-N 1 0 295.448 3.284 20 10 CGCDRO CO[C@]1(C)CCC[N@H+](Cc2cc(C)cc(C)c2O)C1 ZINC000794653272 629564347 /nfs/dbraw/zinc/56/43/47/629564347.db2.gz DIHYISYSUXCCAR-MRXNPFEDSA-N 1 0 263.381 3.010 20 10 CGCDRO CC[C@@H]([NH2+]CCOc1cccnc1)c1ccc(C)cc1O ZINC000794808491 629580621 /nfs/dbraw/zinc/58/06/21/629580621.db2.gz OBWWSJLLLFDEHU-MRXNPFEDSA-N 1 0 286.375 3.215 20 10 CGCDRO CC[C@H]([NH2+]Cc1cccnc1F)c1ccc(C)cc1O ZINC000794832141 629583766 /nfs/dbraw/zinc/58/37/66/629583766.db2.gz CLPRYWCLTGQCDS-AWEZNQCLSA-N 1 0 274.339 3.476 20 10 CGCDRO C[C@H](N[C@@H]1CC[NH2+][C@H]1C)c1ccc(N2CCCCC2)cc1 ZINC000863546206 629603099 /nfs/dbraw/zinc/60/30/99/629603099.db2.gz GBYGCOPHEVLWHT-RLFYNMQTSA-N 1 0 287.451 3.078 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H]1CCOC[C@@H]1C)c1ccc(C)cc1O ZINC000797086848 629883057 /nfs/dbraw/zinc/88/30/57/629883057.db2.gz QDZVGDISDVUBQS-DZKIICNBSA-N 1 0 277.408 3.414 20 10 CGCDRO COc1cc(C)cc(C[N@H+]2CC(C)=C[C@H](C)C2)c1O ZINC000797416436 629944866 /nfs/dbraw/zinc/94/48/66/629944866.db2.gz ICXRFCIWGDMNHO-LBPRGKRZSA-N 1 0 261.365 3.107 20 10 CGCDRO CCOc1cccc(C[N@H+]2CC(C)=C[C@H](C)C2)c1O ZINC000797605033 629969982 /nfs/dbraw/zinc/96/99/82/629969982.db2.gz LHRMOOBJCFFGFP-LBPRGKRZSA-N 1 0 261.365 3.189 20 10 CGCDRO COc1cncc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1C ZINC000865531959 630170658 /nfs/dbraw/zinc/17/06/58/630170658.db2.gz QVGGMHBVVNVNEZ-CQSZACIVSA-N 1 0 299.418 3.315 20 10 CGCDRO Oc1ccccc1C[NH2+][C@@H]1CCO[C@H]1c1ccccc1 ZINC000865650798 630252957 /nfs/dbraw/zinc/25/29/57/630252957.db2.gz PUXKQIHDVQSVTQ-WBVHZDCISA-N 1 0 269.344 3.012 20 10 CGCDRO Oc1cc2c(cc1C[NH2+]CC1CCC(F)(F)CC1)OCO2 ZINC000800293772 630262504 /nfs/dbraw/zinc/26/25/04/630262504.db2.gz KOTYTOBFQRDWSV-UHFFFAOYSA-N 1 0 299.317 3.036 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@H]2CC[C@H]2C2CCC2)cc1 ZINC000800965638 630314386 /nfs/dbraw/zinc/31/43/86/630314386.db2.gz NPCCOCURVKMOFA-IRXDYDNUSA-N 1 0 258.409 3.421 20 10 CGCDRO CC[C@H]([NH2+]CCCOC(F)F)c1ccc(C)cc1O ZINC000800989299 630317851 /nfs/dbraw/zinc/31/78/51/630317851.db2.gz AJUBTONYRMPSGJ-LBPRGKRZSA-N 1 0 273.323 3.371 20 10 CGCDRO COc1cccc(C[NH2+]CC[C@@H]2C[C@@H](C)O[C@@H](C)C2)c1O ZINC000801731746 630353305 /nfs/dbraw/zinc/35/33/05/630353305.db2.gz DDOQMLZGPGDWJX-BTTYYORXSA-N 1 0 293.407 3.084 20 10 CGCDRO CC[C@H]([NH2+]C[C@H](CO)C(C)C)c1ccc(C)cc1O ZINC000806169412 630552206 /nfs/dbraw/zinc/55/22/06/630552206.db2.gz LGNVCLKPRYRTAW-HIFRSBDPSA-N 1 0 265.397 3.006 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CC2=CCCOC2)cc1 ZINC000806177577 630553689 /nfs/dbraw/zinc/55/36/89/630553689.db2.gz DGQVTIJFXLMDIB-AWEZNQCLSA-N 1 0 274.408 3.140 20 10 CGCDRO COC[C@H]1CC[N@@H+]1Cc1cc(C)cc(C(C)(C)C)c1O ZINC000840083758 630583272 /nfs/dbraw/zinc/58/32/72/630583272.db2.gz RKYXOIFRIPEMEZ-CQSZACIVSA-N 1 0 277.408 3.219 20 10 CGCDRO CS[C@H]1CC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000840114812 630598825 /nfs/dbraw/zinc/59/88/25/630598825.db2.gz JRFKWIGKDXLYPH-ZDUSSCGKSA-N 1 0 295.448 3.333 20 10 CGCDRO CCCCN(C)C[C@H](C)[NH2+]Cc1cc(Cl)ccc1O ZINC000808454702 630646975 /nfs/dbraw/zinc/64/69/75/630646975.db2.gz NZEBHDGBUJCESA-LBPRGKRZSA-N 1 0 284.831 3.256 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@](C)(O)C2CC2)c1O ZINC000808694323 630665095 /nfs/dbraw/zinc/66/50/95/630665095.db2.gz BTKMNLKQFOTDBC-ZUZCIYMTSA-N 1 0 283.799 3.166 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](C)CCO)c1O ZINC000808698408 630666625 /nfs/dbraw/zinc/66/66/25/630666625.db2.gz OVTCDBVKWBWUTH-GXSJLCMTSA-N 1 0 271.788 3.023 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCN2CCC[C@@H]2C)c1O ZINC000808698791 630666678 /nfs/dbraw/zinc/66/66/78/630666678.db2.gz VMLLHKFVVCFWSF-STQMWFEESA-N 1 0 296.842 3.489 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CC2(CCO)CC2)c1O ZINC000808715711 630669945 /nfs/dbraw/zinc/66/99/45/630669945.db2.gz NQSSMJIXXIRKIM-NSHDSACASA-N 1 0 283.799 3.167 20 10 CGCDRO CCCC[N@@H+](Cc1ccccc1O)C[C@@H](O)C(C)(C)C ZINC000808756933 630675527 /nfs/dbraw/zinc/67/55/27/630675527.db2.gz AAAPSHJIBNETCW-MRXNPFEDSA-N 1 0 279.424 3.401 20 10 CGCDRO Oc1ccc(F)cc1C[N@@H+]1CCC=C(c2ccco2)C1 ZINC000809688542 630783329 /nfs/dbraw/zinc/78/33/29/630783329.db2.gz LLUDVKSVVYRVPZ-UHFFFAOYSA-N 1 0 273.307 3.414 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)[C@H]2C[C@@H](OC)C2)cc1 ZINC000809692672 630783970 /nfs/dbraw/zinc/78/39/70/630783970.db2.gz CSWFZSAUYPUKCA-CALCHBBNSA-N 1 0 276.424 3.142 20 10 CGCDRO COC(=O)C(C)(C)CC[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000809691732 630784585 /nfs/dbraw/zinc/78/45/85/630784585.db2.gz MEEZPUZGGUDJTG-UHFFFAOYSA-N 1 0 299.798 3.033 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+][C@@H]2CSC[C@H]2C)c1O ZINC000809702516 630787122 /nfs/dbraw/zinc/78/71/22/630787122.db2.gz HMGXKXNWTJUPQT-BXKDBHETSA-N 1 0 271.813 3.195 20 10 CGCDRO CCCN(CCC)c1ccc(C[N@H+](C)[C@@H](C)CO)cc1 ZINC000809742919 630796484 /nfs/dbraw/zinc/79/64/84/630796484.db2.gz MLOWXHNSMADAQK-HNNXBMFYSA-N 1 0 278.440 3.126 20 10 CGCDRO CC(C)N(C)C[C@@H](C)[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000810253686 630860003 /nfs/dbraw/zinc/86/00/03/630860003.db2.gz AFQIQOPFFVJMHE-SCRDCRAPSA-N 1 0 294.414 3.398 20 10 CGCDRO CC[C@H](C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O)OC ZINC000810257530 630860143 /nfs/dbraw/zinc/86/01/43/630860143.db2.gz CLBIOGIOWSTBGP-CMPLNLGQSA-N 1 0 271.788 3.430 20 10 CGCDRO CCCN(CC)C[C@H](C)[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000810261860 630861419 /nfs/dbraw/zinc/86/14/19/630861419.db2.gz GHJJWDROARBHPO-UONOGXRCSA-N 1 0 294.439 3.172 20 10 CGCDRO CCCN(CC)C[C@@H](C)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000810262590 630862644 /nfs/dbraw/zinc/86/26/44/630862644.db2.gz TUOKUHJCZXSSDR-CHWSQXEVSA-N 1 0 282.403 3.302 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)c(O)c1 ZINC000876534416 634853296 /nfs/dbraw/zinc/85/32/96/634853296.db2.gz CHMHGYQHXNSTET-LBPRGKRZSA-N 1 0 273.298 3.475 20 10 CGCDRO CCOc1ccc(C[N@H+](C)Cc2occc2C)c(O)c1 ZINC000814174797 631539030 /nfs/dbraw/zinc/53/90/30/631539030.db2.gz KCDQDPSCCNHIHN-UHFFFAOYSA-N 1 0 275.348 3.324 20 10 CGCDRO Cc1cc(C[N@@H+]2CC[C@H](C(F)(F)F)C2)ccc1N(C)C ZINC000815079227 631712303 /nfs/dbraw/zinc/71/23/03/631712303.db2.gz NRECPYPDIKQNTC-ZDUSSCGKSA-N 1 0 286.341 3.445 20 10 CGCDRO Cc1cc(C[N@@H+](C(C)C)[C@H]2CCOC2)ccc1N(C)C ZINC000815119241 631721568 /nfs/dbraw/zinc/72/15/68/631721568.db2.gz RGEURVPXORLBDY-INIZCTEOSA-N 1 0 276.424 3.060 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCOC[C@@H]2CC2CCC2)cc1 ZINC000815293095 631755022 /nfs/dbraw/zinc/75/50/22/631755022.db2.gz WTVIMUBLMZLGRM-SFHVURJKSA-N 1 0 288.435 3.144 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2cccc(F)n2)c(O)c1 ZINC000815597960 631803511 /nfs/dbraw/zinc/80/35/11/631803511.db2.gz JMKSDESPHSXLOY-LBPRGKRZSA-N 1 0 274.339 3.394 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2CCC=CO2)c(O)c1 ZINC000815618451 631806792 /nfs/dbraw/zinc/80/67/92/631806792.db2.gz LWBKDOODMKYJSH-UONOGXRCSA-N 1 0 261.365 3.352 20 10 CGCDRO C[C@H]([NH2+]C[C@H](CO)C1CCCCC1)c1cc(F)ccc1O ZINC000815648628 631812696 /nfs/dbraw/zinc/81/26/96/631812696.db2.gz SKGWZPOYQRFZRS-GXTWGEPZSA-N 1 0 295.398 3.371 20 10 CGCDRO CC[C@@H]1CO[C@@H](C)CN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816481214 631988128 /nfs/dbraw/zinc/98/81/28/631988128.db2.gz MWHVMLUXRTYHIG-GXSJLCMTSA-N 1 0 287.762 3.184 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2ccc3ccccc3c2O)CCCO1 ZINC000816502597 631995653 /nfs/dbraw/zinc/99/56/53/631995653.db2.gz IRBHDYQHOUGBIH-CYBMUJFWSA-N 1 0 271.360 3.156 20 10 CGCDRO C[C@H]1CCCN(CC[NH2+]Cc2ccc3ccccc3c2O)C1 ZINC000816535457 632005589 /nfs/dbraw/zinc/00/55/89/632005589.db2.gz PCMUTSLRSGTWCB-HNNXBMFYSA-N 1 0 298.430 3.367 20 10 CGCDRO Oc1c(C[NH2+]CCOC2CCC2)ccc2ccccc21 ZINC000816554766 632009737 /nfs/dbraw/zinc/00/97/37/632009737.db2.gz IPDSLKBVSRUMJS-UHFFFAOYSA-N 1 0 271.360 3.204 20 10 CGCDRO C[C@@H]1CCCN1CC[NH2+]Cc1ccc2ccccc2c1O ZINC000816563213 632012700 /nfs/dbraw/zinc/01/27/00/632012700.db2.gz ODVDUJUCBSFINC-CQSZACIVSA-N 1 0 284.403 3.119 20 10 CGCDRO Cc1cc(Br)cc(C[N@H+]2C[C@@H](C)[C@@H]2C)c1O ZINC000816649145 632037348 /nfs/dbraw/zinc/03/73/48/632037348.db2.gz UXEJVHGBRYHYJZ-ZJUUUORDSA-N 1 0 284.197 3.303 20 10 CGCDRO Oc1ccccc1C[NH2+]C[C@H]1CC12CCSCC2 ZINC000817409373 632140818 /nfs/dbraw/zinc/14/08/18/632140818.db2.gz AVIKSOUHOYEFGH-CYBMUJFWSA-N 1 0 263.406 3.015 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H](C2CCCC2)C1 ZINC000817414955 632145188 /nfs/dbraw/zinc/14/51/88/632145188.db2.gz NHFLZNGYTXMMKX-CQSZACIVSA-N 1 0 275.392 3.413 20 10 CGCDRO C[C@@H]([NH2+]C1CC[NH2+]CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817937633 632237193 /nfs/dbraw/zinc/23/71/93/632237193.db2.gz YPKNETCFLCFMPC-MRVPVSSYSA-N 1 0 289.206 3.102 20 10 CGCDRO CN(C)c1ccc([C@H](N)C[NH2+][C@@H]2CCC23CCCC3)cc1 ZINC000817942518 632240133 /nfs/dbraw/zinc/24/01/33/632240133.db2.gz PIHPXGRQPMDREB-IAGOWNOFSA-N 1 0 287.451 3.065 20 10 CGCDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000817941802 632241069 /nfs/dbraw/zinc/24/10/69/632241069.db2.gz KZTWPWFDPUZNNH-NONVJHHQSA-N 1 0 289.467 3.167 20 10 CGCDRO CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000817943342 632241862 /nfs/dbraw/zinc/24/18/62/632241862.db2.gz UOQDAEARPDPENY-JLSDUUJJSA-N 1 0 289.467 3.311 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H](N)c2ccccc2)cc1 ZINC000817955266 632250524 /nfs/dbraw/zinc/25/05/24/632250524.db2.gz UPBGNZNBKMDMJA-KXBFYZLASA-N 1 0 297.446 3.493 20 10 CGCDRO C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CCc1ccc(N)cc1 ZINC000817955851 632251288 /nfs/dbraw/zinc/25/12/88/632251288.db2.gz JHDKVHAMEUVZKU-ACJLOTCBSA-N 1 0 266.388 3.334 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H](CN)C2CCCCC2)c(O)c1 ZINC000817960022 632256455 /nfs/dbraw/zinc/25/64/55/632256455.db2.gz WOPJBONIIOAMSI-CZUORRHYSA-N 1 0 276.424 3.259 20 10 CGCDRO CCCC[C@H](CN)[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000817963583 632258939 /nfs/dbraw/zinc/25/89/39/632258939.db2.gz VJHYEGLNUFHRFQ-UONOGXRCSA-N 1 0 264.413 3.177 20 10 CGCDRO C[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817965641 632260174 /nfs/dbraw/zinc/26/01/74/632260174.db2.gz YTWZJOWTVSDJJJ-MRVPVSSYSA-N 1 0 289.206 3.231 20 10 CGCDRO C[C@@H](CN)[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000817970167 632262385 /nfs/dbraw/zinc/26/23/85/632262385.db2.gz NAJIMGJXWNCOGN-WMLDXEAASA-N 1 0 284.403 3.003 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])c1ccc(Cl)c(Cl)c1[O-] ZINC000817978254 632268908 /nfs/dbraw/zinc/26/89/08/632268908.db2.gz YZTQWZIVWJXMPQ-XLDPMVHQSA-N 1 0 291.222 3.475 20 10 CGCDRO CC[C@H]([NH3+])CN[C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000817979058 632269824 /nfs/dbraw/zinc/26/98/24/632269824.db2.gz HSLKRWKIWOBYQS-WBVHZDCISA-N 1 0 289.467 3.455 20 10 CGCDRO Cc1cc(N)cc(C[NH2+][C@H]2CCc3cccc(O)c32)c1 ZINC000817982136 632271596 /nfs/dbraw/zinc/27/15/96/632271596.db2.gz XYYNRBNYXPGAHW-HNNXBMFYSA-N 1 0 268.360 3.060 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(F)cc1[O-] ZINC000817986862 632276258 /nfs/dbraw/zinc/27/62/58/632276258.db2.gz VAHVFFJBCYIZCK-HIFRSBDPSA-N 1 0 292.398 3.247 20 10 CGCDRO COc1cccc(C[NH2+][C@@H]2C[C@@]2(F)c2ccccc2)c1O ZINC000818231078 632300325 /nfs/dbraw/zinc/30/03/25/632300325.db2.gz UUGWTXQLWOWSMK-NVXWUHKLSA-N 1 0 287.334 3.128 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2C[C@H]2C2CCC2)c1 ZINC000818355901 632313799 /nfs/dbraw/zinc/31/37/99/632313799.db2.gz KZRLMUXKWJZWRL-WKPIXPDZSA-N 1 0 261.365 3.240 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H](C)CC(F)F)cc1C ZINC000842727723 632742292 /nfs/dbraw/zinc/74/22/92/632742292.db2.gz RDDXESFRNXIPKG-VIFPVBQESA-N 1 0 257.324 3.390 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)cc1C ZINC000865761914 632883380 /nfs/dbraw/zinc/88/33/80/632883380.db2.gz JYWSDJKPVGZDHV-QAPCUYQASA-N 1 0 289.419 3.304 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]C[C@H]1CCC12CCOCC2 ZINC000865777688 632887575 /nfs/dbraw/zinc/88/75/75/632887575.db2.gz AKSAYXWMLWCNIN-GFCCVEGCSA-N 1 0 295.810 3.342 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]C[C@@H]1C[C@H]1C1CCOCC1 ZINC000865785671 632890378 /nfs/dbraw/zinc/89/03/78/632890378.db2.gz XSNRLCXJVSDPRA-WFASDCNBSA-N 1 0 295.810 3.198 20 10 CGCDRO C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@H]1C)c1ccc(Cl)cc1O ZINC000866446705 633136632 /nfs/dbraw/zinc/13/66/32/633136632.db2.gz GSLHQMVYGYDHOC-QYTUQVAYSA-N 1 0 269.772 3.262 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H]2C[C@H](C)CC[C@@H]2C)c1 ZINC000823871641 633163188 /nfs/dbraw/zinc/16/31/88/633163188.db2.gz KXEQZRUDHZLITJ-TYNCELHUSA-N 1 0 263.381 3.315 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+][C@H](C1CCC1)[C@@H]1CCOC1)CC2 ZINC000866511071 633167783 /nfs/dbraw/zinc/16/77/83/633167783.db2.gz AMIRUNSWCBMGSK-IIDMSEBBSA-N 1 0 287.403 3.174 20 10 CGCDRO C[C@H](Cc1ccoc1)[NH2+]CCCSc1nccs1 ZINC000823937586 633170869 /nfs/dbraw/zinc/17/08/69/633170869.db2.gz CYRLFFZERLRUSO-LLVKDONJSA-N 1 0 282.434 3.439 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1CCC12CCOCC2)c1ccccc1O ZINC000866528311 633172344 /nfs/dbraw/zinc/17/23/44/633172344.db2.gz DOHPUFWZPMZWOM-KBPBESRZSA-N 1 0 275.392 3.250 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1c2ccccc2CN1C)c1ccccc1O ZINC000866561857 633192275 /nfs/dbraw/zinc/19/22/75/633192275.db2.gz AFCDSQHDNPIAFA-DYVFJYSZSA-N 1 0 282.387 3.230 20 10 CGCDRO C[C@H]([NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)c1ccnn1C ZINC000866615915 633215805 /nfs/dbraw/zinc/21/58/05/633215805.db2.gz XTKDVSGQMTZSIT-STQMWFEESA-N 1 0 299.418 3.416 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCCn2nccc21)c1ccc(C)cc1O ZINC000866633510 633222411 /nfs/dbraw/zinc/22/24/11/633222411.db2.gz JCYRNPIYTUDVMZ-GJZGRUSLSA-N 1 0 285.391 3.473 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCn3nccc32)c(O)c1 ZINC000866634911 633224046 /nfs/dbraw/zinc/22/40/46/633224046.db2.gz VJSZZKYAYQGXPV-TZMCWYRMSA-N 1 0 271.364 3.083 20 10 CGCDRO CC[C@H](C)[C@@H](C[NH2+]Cc1cc(C)c(C)cc1O)OC ZINC000824596237 633263614 /nfs/dbraw/zinc/26/36/14/633263614.db2.gz HIHISUBPQWVGOP-MEDUHNTESA-N 1 0 265.397 3.160 20 10 CGCDRO CO[C@](C)(C[NH2+]Cc1cc(C)ccc1O)c1ccccc1 ZINC000824780449 633287186 /nfs/dbraw/zinc/28/71/86/633287186.db2.gz PBYUGNKIIFNLPZ-GOSISDBHSA-N 1 0 285.387 3.352 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@H](C3CC3)[C@@H]2C2CC2)c1 ZINC000824940717 633307631 /nfs/dbraw/zinc/30/76/31/633307631.db2.gz BEODOEQLPFUDNI-AEFFLSMTSA-N 1 0 287.403 3.411 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@H](O)c2ccccc2)cc1Cl ZINC000825051228 633322966 /nfs/dbraw/zinc/32/29/66/633322966.db2.gz YPVDVZNORQRGTE-INIZCTEOSA-N 1 0 291.778 3.177 20 10 CGCDRO CC(C)(C[NH2+]Cc1ccc2c(c1)CCO2)C1(O)CCCC1 ZINC000825231780 633337988 /nfs/dbraw/zinc/33/79/88/633337988.db2.gz HSBFTNSMOLVHOT-UHFFFAOYSA-N 1 0 289.419 3.042 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCC[C@H]3OCC[C@@H]32)cc1Cl ZINC000825338058 633347107 /nfs/dbraw/zinc/34/71/07/633347107.db2.gz RLSYRNGJYPBXLH-XNRPHZJLSA-N 1 0 295.810 3.401 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H]2C[C@H](C)N(C3CC3)C2)cc1Cl ZINC000825354742 633348720 /nfs/dbraw/zinc/34/87/20/633348720.db2.gz YUTUYHJIHCMULX-AAEUAGOBSA-N 1 0 294.826 3.069 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@]2(C)CCO[C@H]2C)cc1Cl ZINC000825494397 633357459 /nfs/dbraw/zinc/35/74/59/633357459.db2.gz KZGYYBYKCJZOMT-HZMBPMFUSA-N 1 0 269.772 3.011 20 10 CGCDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825501488 633358209 /nfs/dbraw/zinc/35/82/09/633358209.db2.gz QBKYUAZNNPRZKH-MNOVXSKESA-N 1 0 299.798 3.031 20 10 CGCDRO CC[C@@]1([NH2+]Cc2cc(Cl)c(C)cc2O)CCOC1 ZINC000825685773 633374418 /nfs/dbraw/zinc/37/44/18/633374418.db2.gz LZBPMOAIFHRENH-CQSZACIVSA-N 1 0 269.772 3.013 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2C[C@H](C)O[C@H]2C)cc1Cl ZINC000826122081 633406724 /nfs/dbraw/zinc/40/67/24/633406724.db2.gz XNRLGEIWZIGORI-SRVKXCTJSA-N 1 0 283.799 3.257 20 10 CGCDRO Oc1c(C[NH2+]CCO[C@H]2CC2(F)F)ccc2ccccc21 ZINC000827073262 633455310 /nfs/dbraw/zinc/45/53/10/633455310.db2.gz RGCKFCIMXLUGFX-AWEZNQCLSA-N 1 0 293.313 3.059 20 10 CGCDRO CN(C)c1ccc(/C=C\C[N@H+](C)CC2=CCCOC2)cc1 ZINC000827190151 633469117 /nfs/dbraw/zinc/46/91/17/633469117.db2.gz REXOFEHNHFHGJU-XQRVVYSFSA-N 1 0 286.419 3.044 20 10 CGCDRO CCc1cc(NCc2ccc(N3CCCC3)cc2)cc[nH+]1 ZINC000827390724 633488111 /nfs/dbraw/zinc/48/81/11/633488111.db2.gz RBCBKLHHLILXKU-UHFFFAOYSA-N 1 0 281.403 3.278 20 10 CGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000827506212 633495555 /nfs/dbraw/zinc/49/55/55/633495555.db2.gz DVANOELVJOIKNU-OBMMGQTPSA-N 1 0 256.393 3.108 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+]CC2SCCS2)c1O ZINC000827614921 633504054 /nfs/dbraw/zinc/50/40/54/633504054.db2.gz XRVRDQBMVMZBAY-UHFFFAOYSA-N 1 0 289.853 3.250 20 10 CGCDRO C[C@H](O)[C@@H]([NH2+]Cc1c(O)cccc1Cl)c1ccccc1 ZINC000827856836 633524977 /nfs/dbraw/zinc/52/49/77/633524977.db2.gz TWUSSYXFZPEWCI-MEDUHNTESA-N 1 0 291.778 3.257 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2Cc3c[nH]nc3CC(C)(C)C2)c1 ZINC000828013582 633548200 /nfs/dbraw/zinc/54/82/00/633548200.db2.gz DVPUKATVPWLOHZ-UHFFFAOYSA-N 1 0 285.391 3.008 20 10 CGCDRO COc1cccc(C[NH2+]CC[C@]2(C)C[C@]2(F)Cl)c1O ZINC000846031424 636133097 /nfs/dbraw/zinc/13/30/97/636133097.db2.gz BNJJWINJKUIOMI-ZIAGYGMSSA-N 1 0 287.762 3.195 20 10 CGCDRO CCC[C@H](C)[C@@H](CO)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000846184196 636154672 /nfs/dbraw/zinc/15/46/72/636154672.db2.gz RJNIYEVIDKZSJA-JJRVBVJISA-N 1 0 278.440 3.200 20 10 CGCDRO CCC[C@H](C)[C@H](CO)[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000846184686 636155655 /nfs/dbraw/zinc/15/56/55/636155655.db2.gz QMDJQUDKTDGCEI-MJVIPROJSA-N 1 0 285.815 3.493 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+][C@H](C1CC1)C1CCOCC1)CC2 ZINC000846185921 636155758 /nfs/dbraw/zinc/15/57/58/636155758.db2.gz BHFRQPRWAJUQQP-MAUKXSAKSA-N 1 0 287.403 3.174 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@@H]3CCC[C@H]3O2)c(O)c1 ZINC000872109295 634034189 /nfs/dbraw/zinc/03/41/89/634034189.db2.gz KYTKYEBYCSPRAF-AYMQEEERSA-N 1 0 275.392 3.309 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCc2cccc(O)c21)[C@@H](O)c1ccccc1 ZINC000872132149 634053846 /nfs/dbraw/zinc/05/38/46/634053846.db2.gz FCAPVWBQQNZFKT-BXWFABGCSA-N 1 0 297.398 3.481 20 10 CGCDRO Cc1ccccc1[C@@H](CO)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834611624 634197065 /nfs/dbraw/zinc/19/70/65/634197065.db2.gz MQZAPQCLYALULF-HZPDHXFCSA-N 1 0 283.371 3.011 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]CC1Cc3ccccc3C1)CC2 ZINC000834655033 634210053 /nfs/dbraw/zinc/21/00/53/634210053.db2.gz WMXZAXBTGLCDQD-QGZVFWFLSA-N 1 0 279.383 3.384 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](C)C2(C)CC2)cc1Cn1cccn1 ZINC000873025314 634233272 /nfs/dbraw/zinc/23/32/72/634233272.db2.gz CPYNABNRTDCEIA-AWEZNQCLSA-N 1 0 299.418 3.218 20 10 CGCDRO Cn1nc(C[NH2+][C@H]2CCc3cccc(O)c32)c2ccccc21 ZINC000834765802 634238159 /nfs/dbraw/zinc/23/81/59/634238159.db2.gz OYGLMRKMAXGFJC-AWEZNQCLSA-N 1 0 293.370 3.056 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+][C@H]1CCc3ccccc3OC1)CC2 ZINC000834793884 634243782 /nfs/dbraw/zinc/24/37/82/634243782.db2.gz IPGYWGSDPDYPKE-JKSUJKDBSA-N 1 0 295.382 3.363 20 10 CGCDRO Cc1cccc2c1OC[C@H]([NH2+][C@H]1CCc3cccc(O)c31)C2 ZINC000834806313 634244582 /nfs/dbraw/zinc/24/45/82/634244582.db2.gz ASXYKDIEXXWZLS-CVEARBPZSA-N 1 0 295.382 3.281 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CCn2ccnc21)c1cc(Cl)ccc1O ZINC000834830652 634250743 /nfs/dbraw/zinc/25/07/43/634250743.db2.gz FZZPUMRHCLPGFH-SKDRFNHKSA-N 1 0 277.755 3.038 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1CCn2ccnc21)c1ccc(N(C)C)cc1 ZINC000834835291 634252763 /nfs/dbraw/zinc/25/27/63/634252763.db2.gz HDPCXFLVLLIRLU-HZPDHXFCSA-N 1 0 284.407 3.135 20 10 CGCDRO CCC[C@H](C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)OC ZINC000834840565 634254903 /nfs/dbraw/zinc/25/49/03/634254903.db2.gz KNRIFFAJSRFHTA-WZRBSPASSA-N 1 0 281.371 3.484 20 10 CGCDRO CCC[C@@H](C[NH2+][C@@H](C)c1c(C)cc(C)cc1O)OC ZINC000834841338 634254927 /nfs/dbraw/zinc/25/49/27/634254927.db2.gz STTKUZDNYIBTPM-KBPBESRZSA-N 1 0 265.397 3.475 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)CCCCO)c1cc2c(cc1O)CCCC2 ZINC000834878977 634263762 /nfs/dbraw/zinc/26/37/62/634263762.db2.gz UYBUBGJKUZLTOT-UONOGXRCSA-N 1 0 291.435 3.473 20 10 CGCDRO CC[C@](C)(C[NH2+][C@@H](C)c1ccc(C)c(C)c1O)OC ZINC000834882003 634264176 /nfs/dbraw/zinc/26/41/76/634264176.db2.gz HSPQQKKOVSDIBM-XJKSGUPXSA-N 1 0 265.397 3.475 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000873155888 634264313 /nfs/dbraw/zinc/26/43/13/634264313.db2.gz HYWGYXGAYZLECB-JRPNMDOOSA-N 1 0 281.783 3.093 20 10 CGCDRO CC(C)[C@@H]1C[C@H](C[NH2+][C@@H](C)c2ccccc2O)CCO1 ZINC000834884669 634266572 /nfs/dbraw/zinc/26/65/72/634266572.db2.gz AOTDAOLONBEDOW-VBQJREDUSA-N 1 0 277.408 3.494 20 10 CGCDRO CCc1nc(C[NH2+][C@H](C)c2c(C)cc(C)cc2O)co1 ZINC000834896842 634273309 /nfs/dbraw/zinc/27/33/09/634273309.db2.gz CZCLYLJYMXCRGM-GFCCVEGCSA-N 1 0 274.364 3.410 20 10 CGCDRO CCC1(C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)COC1 ZINC000834900657 634277935 /nfs/dbraw/zinc/27/79/35/634277935.db2.gz QZSBBBRRRVCKKJ-ZDUSSCGKSA-N 1 0 263.381 3.086 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@@H](O)c1ccccc1 ZINC000873194312 634279428 /nfs/dbraw/zinc/27/94/28/634279428.db2.gz SDBRIHDCJOGMTM-MJGOQNOKSA-N 1 0 297.398 3.223 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2COCC2(C)C)cc1 ZINC000834904923 634281375 /nfs/dbraw/zinc/28/13/75/634281375.db2.gz QYTPOKVWTLINCT-XJKSGUPXSA-N 1 0 276.424 3.218 20 10 CGCDRO C[C@H]([NH2+][C@H]1C[C@@H](O)C1)c1ccc(N2CCCCCC2)cc1 ZINC000834907575 634283056 /nfs/dbraw/zinc/28/30/56/634283056.db2.gz WVMMIRZAGTVFRI-QILLFSRXSA-N 1 0 288.435 3.241 20 10 CGCDRO CC1(C)C[C@H](C[NH2+][C@@H]2CCc3cccc(O)c32)CCO1 ZINC000834910100 634284430 /nfs/dbraw/zinc/28/44/30/634284430.db2.gz NEWBHYNTBABPCU-TZMCWYRMSA-N 1 0 275.392 3.174 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1ccc(F)cc1[O-] ZINC000873245612 634298890 /nfs/dbraw/zinc/29/88/90/634298890.db2.gz SHDQKUNDNNSLBA-HIFRSBDPSA-N 1 0 294.414 3.350 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000873249983 634301167 /nfs/dbraw/zinc/30/11/67/634301167.db2.gz OLLVILPWQSFSIV-HLTSFMKQSA-N 1 0 289.206 3.087 20 10 CGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CCCOC(C)(C)C2)cc1 ZINC000835025098 634324290 /nfs/dbraw/zinc/32/42/90/634324290.db2.gz DYXFHKICPBWDGS-ALCCZGGFSA-N 1 0 288.435 3.267 20 10 CGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CCOC3(CCC3)C2)cc1 ZINC000835026524 634325644 /nfs/dbraw/zinc/32/56/44/634325644.db2.gz UGPWAPVXJWKWSU-HYXAFXHYSA-N 1 0 286.419 3.021 20 10 CGCDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC000835028151 634326213 /nfs/dbraw/zinc/32/62/13/634326213.db2.gz KCKWOZKVGMYDMZ-HBJANEJGSA-N 1 0 288.435 3.001 20 10 CGCDRO Cc1n[nH]cc1CCC[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835036907 634328136 /nfs/dbraw/zinc/32/81/36/634328136.db2.gz ROOSELDJXANNPO-XQRVVYSFSA-N 1 0 298.434 3.020 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@H](CO)c2ccccc2)cc1 ZINC000835039124 634328216 /nfs/dbraw/zinc/32/82/16/634328216.db2.gz GLOSDIWXSNLUON-OVKVCFKUSA-N 1 0 296.414 3.089 20 10 CGCDRO CSC[C@@H](C)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835039176 634328377 /nfs/dbraw/zinc/32/83/77/634328377.db2.gz CCWACKLTEJIARU-CFHLNLSMSA-N 1 0 264.438 3.107 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+]CCc2nccs2)cc1 ZINC000835037054 634328554 /nfs/dbraw/zinc/32/85/54/634328554.db2.gz OPCRFPYNEPLJTC-ONEGZZNKSA-N 1 0 287.432 3.055 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@@H]2CCCS2)cc1 ZINC000835042305 634330696 /nfs/dbraw/zinc/33/06/96/634330696.db2.gz IDTRLGVNCYYHJP-IMMZDGJCSA-N 1 0 276.449 3.251 20 10 CGCDRO CC[C@]1(CO)CCC[N@@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC000835046758 634333594 /nfs/dbraw/zinc/33/35/94/634333594.db2.gz ZMSCMWTYIRYDFC-LZCIBIBXSA-N 1 0 288.435 3.003 20 10 CGCDRO CCC(CC)(CCO)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835049815 634335125 /nfs/dbraw/zinc/33/51/25/634335125.db2.gz LXXYGVLFZAEAPT-FPLPWBNLSA-N 1 0 290.451 3.297 20 10 CGCDRO C[C@@H]([NH2+]C/C=C/c1ccc(N(C)C)cc1)c1cc[nH]c(=O)c1 ZINC000835051838 634336743 /nfs/dbraw/zinc/33/67/43/634336743.db2.gz AAVBMAUAAOAFRU-ISZGNANSSA-N 1 0 297.402 3.217 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+]CC2CC(F)(F)C2)cc1 ZINC000835055645 634339283 /nfs/dbraw/zinc/33/92/83/634339283.db2.gz MNDBWCFDQSCSTH-ONEGZZNKSA-N 1 0 280.362 3.401 20 10 CGCDRO CC1(C)C[C@H](C[NH2+]Cc2cc(Cl)ccc2O)CCO1 ZINC000835059533 634340902 /nfs/dbraw/zinc/34/09/02/634340902.db2.gz IRHAISVNCRZWRU-LLVKDONJSA-N 1 0 283.799 3.340 20 10 CGCDRO COc1cc(O)c(C[NH2+][C@@]2(C)CCCC[C@H]2C)cc1OC ZINC000835072387 634345515 /nfs/dbraw/zinc/34/55/15/634345515.db2.gz FBOFJRFIGVMXOY-PXAZEXFGSA-N 1 0 293.407 3.468 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000876723984 634887222 /nfs/dbraw/zinc/88/72/22/634887222.db2.gz KEWBJXYITMMNFX-CYBMUJFWSA-N 1 0 257.333 3.283 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCc2ccsc2C1 ZINC000876739989 634889684 /nfs/dbraw/zinc/88/96/84/634889684.db2.gz BQGVHZRCNOYYGC-UHFFFAOYSA-N 1 0 259.374 3.320 20 10 CGCDRO Cc1cccc(O)c1C[NH+]1CCC(C(F)F)CC1 ZINC000876744521 634890832 /nfs/dbraw/zinc/89/08/32/634890832.db2.gz WQKRDKAQAFUVRS-UHFFFAOYSA-N 1 0 255.308 3.178 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000876756434 634893027 /nfs/dbraw/zinc/89/30/27/634893027.db2.gz RSQQFFNQPWCJON-INIZCTEOSA-N 1 0 288.435 3.151 20 10 CGCDRO CSC[C@@H]1CCC[N@@H+]1Cc1c(C)cccc1O ZINC000876776635 634897751 /nfs/dbraw/zinc/89/77/51/634897751.db2.gz GHTFRKQBJUJHHD-LBPRGKRZSA-N 1 0 251.395 3.028 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCO[C@H](c2ccsc2)C1 ZINC000876778984 634897845 /nfs/dbraw/zinc/89/78/45/634897845.db2.gz UCYWIXHNIRILTN-INIZCTEOSA-N 1 0 289.400 3.336 20 10 CGCDRO Cc1ccc(C[NH2+][C@H](Cn2ccnc2)C(C)(C)C)c(O)c1 ZINC000876957417 634937382 /nfs/dbraw/zinc/93/73/82/634937382.db2.gz VVVXIGMLPWXTEF-MRXNPFEDSA-N 1 0 287.407 3.102 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H](C)c2cccc(O)c2)c(O)c1 ZINC000877021520 634952682 /nfs/dbraw/zinc/95/26/82/634952682.db2.gz UPPKDWNGPAXQJY-LBPRGKRZSA-N 1 0 257.333 3.257 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]C[C@H]1CCOc2ccccc21 ZINC000877024994 634953707 /nfs/dbraw/zinc/95/37/07/634953707.db2.gz VWGUUHCSOPHEDD-CQSZACIVSA-N 1 0 283.371 3.357 20 10 CGCDRO CS[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C)cc2O)C1 ZINC000877037313 634959697 /nfs/dbraw/zinc/95/96/97/634959697.db2.gz ZUXJXKUCYFHZCG-KGLIPLIRSA-N 1 0 265.422 3.464 20 10 CGCDRO CCc1cnc(C[NH2+]Cc2ccc(C)cc2O)s1 ZINC000877071445 634971817 /nfs/dbraw/zinc/97/18/17/634971817.db2.gz NZZJWUOFZRTJNC-UHFFFAOYSA-N 1 0 262.378 3.009 20 10 CGCDRO COCCC1(C[NH2+]Cc2c(C)cccc2O)CCCC1 ZINC000877084051 634978928 /nfs/dbraw/zinc/97/89/28/634978928.db2.gz DGYPLOIBFNIMFG-UHFFFAOYSA-N 1 0 277.408 3.387 20 10 CGCDRO Cc1cccc(O)c1C[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000877123372 634991640 /nfs/dbraw/zinc/99/16/40/634991640.db2.gz JRYSUYARHWPTIK-BBRMVZONSA-N 1 0 277.408 3.384 20 10 CGCDRO Cc1ccc(C[NH2+]C2CCC(F)(F)CC2)c(O)c1 ZINC000877125920 634992764 /nfs/dbraw/zinc/99/27/64/634992764.db2.gz WCUGRMGPFTYMET-UHFFFAOYSA-N 1 0 255.308 3.368 20 10 CGCDRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C)cc1O)CCO2 ZINC000877394618 635033928 /nfs/dbraw/zinc/03/39/28/635033928.db2.gz STRDNFJQWDNVAO-INIZCTEOSA-N 1 0 299.370 3.323 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000877425525 635038083 /nfs/dbraw/zinc/03/80/83/635038083.db2.gz CNDZHEVBDAPECW-OAHLLOKOSA-N 1 0 275.392 3.092 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCC[C@H](OCC3CC3)C2)c(O)c1 ZINC000877425669 635039798 /nfs/dbraw/zinc/03/97/98/635039798.db2.gz DHEWNULUIIMREK-INIZCTEOSA-N 1 0 275.392 3.092 20 10 CGCDRO CC[C@H](C)c1nnc([C@H](C)[NH2+]Cc2ccc(C)cc2O)[nH]1 ZINC000877475546 635050904 /nfs/dbraw/zinc/05/09/04/635050904.db2.gz SKQUGYPYIVIQFV-RYUDHWBXSA-N 1 0 288.395 3.183 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccn(C)n2)c(O)c1C ZINC000840816729 635057943 /nfs/dbraw/zinc/05/79/43/635057943.db2.gz OWFAINAKSXLVDU-QWHCGFSZSA-N 1 0 273.380 3.154 20 10 CGCDRO CCn1ccc(C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)n1 ZINC000840840416 635062185 /nfs/dbraw/zinc/06/21/85/635062185.db2.gz KCNZOANHHSGRFH-GWCFXTLKSA-N 1 0 289.354 3.086 20 10 CGCDRO CCCC[N@H+](Cc1ccc(=O)[nH]c1)Cc1ccccc1O ZINC000877503628 635063602 /nfs/dbraw/zinc/06/36/02/635063602.db2.gz RQFAQKIEKOBFGD-UHFFFAOYSA-N 1 0 286.375 3.295 20 10 CGCDRO COCC1CCC([NH2+][C@@H](C)c2cc(F)ccc2O)CC1 ZINC000840879371 635072235 /nfs/dbraw/zinc/07/22/35/635072235.db2.gz FNSYJIJTTDQVKB-DCBWTQNWSA-N 1 0 281.371 3.387 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c(O)c1 ZINC000877529291 635072747 /nfs/dbraw/zinc/07/27/47/635072747.db2.gz YJJBGQDJHYYUOU-JKSUJKDBSA-N 1 0 289.419 3.339 20 10 CGCDRO Cc1cc(O)c(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000840881638 635073045 /nfs/dbraw/zinc/07/30/45/635073045.db2.gz PBOQHDHPKLGXIX-STQMWFEESA-N 1 0 294.826 3.070 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H]1CCSC1 ZINC000840892544 635077085 /nfs/dbraw/zinc/07/70/85/635077085.db2.gz ASXTUEGTSAJSSE-DZGCQCFKSA-N 1 0 278.465 3.087 20 10 CGCDRO Cc1ccc(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c(O)c1 ZINC000877544525 635082002 /nfs/dbraw/zinc/08/20/02/635082002.db2.gz YVRXSTBVESFZIF-UONOGXRCSA-N 1 0 267.319 3.178 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccc([C@H](C)O)cc1 ZINC000840930298 635083969 /nfs/dbraw/zinc/08/39/69/635083969.db2.gz IZRTUGXSCXMLKZ-HNNXBMFYSA-N 1 0 298.430 3.404 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H](O)c1ccccc1C ZINC000840934514 635084543 /nfs/dbraw/zinc/08/45/43/635084543.db2.gz RDQARUSNYQMLMV-LJQANCHMSA-N 1 0 298.430 3.193 20 10 CGCDRO COCC1=CC[N@H+](Cc2c(O)cc(C)cc2Cl)CC1 ZINC000840938807 635086925 /nfs/dbraw/zinc/08/69/25/635086925.db2.gz RRXPNBWESFVJGL-UHFFFAOYSA-N 1 0 281.783 3.133 20 10 CGCDRO CO[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840942412 635088704 /nfs/dbraw/zinc/08/87/04/635088704.db2.gz KHNHYQAUMKIARE-IRXDYDNUSA-N 1 0 276.424 3.108 20 10 CGCDRO CO[C@H]1CC[N@H+](Cc2c(O)cc(C)cc2Cl)C[C@@H]1C ZINC000840949939 635090648 /nfs/dbraw/zinc/09/06/48/635090648.db2.gz DGWOXCISJHQZDJ-NHYWBVRUSA-N 1 0 283.799 3.211 20 10 CGCDRO Cc1cccnc1CCC[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840950248 635090705 /nfs/dbraw/zinc/09/07/05/635090705.db2.gz HZUMQIBWLIUHKU-UHFFFAOYSA-N 1 0 297.446 3.487 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C(C)(C)CN1CCCC1 ZINC000840952732 635092502 /nfs/dbraw/zinc/09/25/02/635092502.db2.gz HWQGEJGXCYBPFR-UHFFFAOYSA-N 1 0 289.467 3.025 20 10 CGCDRO Cc1cccc(O)c1C[NH+]1CC(C)(CC(F)(F)F)C1 ZINC000877582516 635101279 /nfs/dbraw/zinc/10/12/79/635101279.db2.gz ZWMIGHYRYUNNAW-UHFFFAOYSA-N 1 0 273.298 3.475 20 10 CGCDRO CCOC[C@H]1CCCC[N@@H+]1Cc1c(C)cccc1O ZINC000877584511 635102496 /nfs/dbraw/zinc/10/24/96/635102496.db2.gz GTNNQBQALIPSRA-CQSZACIVSA-N 1 0 263.381 3.092 20 10 CGCDRO Cc1ccc(F)c(C[NH2+]CCc2ccc(N)cc2)c1 ZINC000841034617 635110454 /nfs/dbraw/zinc/11/04/54/635110454.db2.gz IHVPKQNEOMPKAN-UHFFFAOYSA-N 1 0 258.340 3.049 20 10 CGCDRO C[C@@H](Cc1ccc(F)cc1)[NH2+]CCc1ccc(N)cc1 ZINC000841035422 635111519 /nfs/dbraw/zinc/11/15/19/635111519.db2.gz NLWFFRXIRUHRFQ-ZDUSSCGKSA-N 1 0 272.367 3.171 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]CC[C@]1(C)C[C@@]1(F)Cl ZINC000877611486 635112220 /nfs/dbraw/zinc/11/22/20/635112220.db2.gz SPDDITPBGQANPO-KGLIPLIRSA-N 1 0 271.763 3.495 20 10 CGCDRO Cc1cccc(O)c1C[NH2+][C@H]1C[C@H](OC(C)(C)C)C1 ZINC000877618425 635115534 /nfs/dbraw/zinc/11/55/34/635115534.db2.gz TVIVIPNLNYFSFN-JOCQHMNTSA-N 1 0 263.381 3.136 20 10 CGCDRO COc1cccc(OC)c1C[NH2+]Cc1ccc(C)cc1O ZINC000877623862 635117885 /nfs/dbraw/zinc/11/78/85/635117885.db2.gz CHCSMQBHVBXBSR-UHFFFAOYSA-N 1 0 287.359 3.008 20 10 CGCDRO CC1(C)C[C@H]([NH2+]Cc2ccccc2O)c2cc(N)ccc2O1 ZINC000841083163 635118470 /nfs/dbraw/zinc/11/84/70/635118470.db2.gz PCGSTBNPXFDPTO-HNNXBMFYSA-N 1 0 298.386 3.366 20 10 CGCDRO Cc1cccc(O)c1C[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC000877633867 635123619 /nfs/dbraw/zinc/12/36/19/635123619.db2.gz TWJZAAQTHUNCGV-GOSISDBHSA-N 1 0 289.419 3.482 20 10 CGCDRO Cc1cccc(O)c1C[NH+]1C[C@H](C)C(F)(F)[C@@H](C)C1 ZINC000877649792 635131477 /nfs/dbraw/zinc/13/14/77/635131477.db2.gz JAVXVNFBHWWSQZ-RYUDHWBXSA-N 1 0 269.335 3.424 20 10 CGCDRO Cc1cccc(O)c1C[NH+]1CC(Cc2cccs2)C1 ZINC000877659643 635134962 /nfs/dbraw/zinc/13/49/62/635134962.db2.gz YKWSOXPURIYZAT-UHFFFAOYSA-N 1 0 273.401 3.437 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]CC[C@@H]1CCCS1 ZINC000877697292 635149028 /nfs/dbraw/zinc/14/90/28/635149028.db2.gz FDGQWIHHTZLTEW-LBPRGKRZSA-N 1 0 251.395 3.076 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1)c1ccccc1O ZINC000877755597 635184383 /nfs/dbraw/zinc/18/43/83/635184383.db2.gz HQZHHBOXVLAYCM-GBIKHYSHSA-N 1 0 289.297 3.153 20 10 CGCDRO C[C@@H]([NH2+]Cc1nc(Cl)cs1)c1ccccc1O ZINC000877756020 635185681 /nfs/dbraw/zinc/18/56/81/635185681.db2.gz YZCXUAFKVDXVCY-MRVPVSSYSA-N 1 0 268.769 3.353 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@@H]2C[C@H]3CCC[C@@H]3O2)c1O ZINC000877805241 635208500 /nfs/dbraw/zinc/20/85/00/635208500.db2.gz JFZJPHGLGFNAGT-KBMXLJTQSA-N 1 0 275.392 3.002 20 10 CGCDRO CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841744194 635221743 /nfs/dbraw/zinc/22/17/43/635221743.db2.gz MTTYKKMKLJIIRC-LBPRGKRZSA-N 1 0 284.831 3.427 20 10 CGCDRO C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1ccc(Cl)cc1[O-] ZINC000841745309 635222074 /nfs/dbraw/zinc/22/20/74/635222074.db2.gz POPYEUMKPBQSDS-QWHCGFSZSA-N 1 0 296.842 3.428 20 10 CGCDRO C[C@@H]([NH2+]CCCC[NH+](C)C)c1ccc(Cl)cc1[O-] ZINC000841746823 635223754 /nfs/dbraw/zinc/22/37/54/635223754.db2.gz LLEDXUNFLKKIEB-LLVKDONJSA-N 1 0 270.804 3.038 20 10 CGCDRO COC[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1O)C1CC1 ZINC000841750792 635225717 /nfs/dbraw/zinc/22/57/17/635225717.db2.gz JCYHVFXIQMBVAZ-TVQRCGJNSA-N 1 0 269.772 3.121 20 10 CGCDRO CCO[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(Cl)cc2O)C1 ZINC000841753277 635227713 /nfs/dbraw/zinc/22/77/13/635227713.db2.gz GBDOVAREPDNBEU-ZMLRMANQSA-N 1 0 269.772 3.264 20 10 CGCDRO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)Cc1cc[nH]c(=O)c1 ZINC000877975614 635302641 /nfs/dbraw/zinc/30/26/41/635302641.db2.gz APKXRFCUTNOFEM-UHFFFAOYSA-N 1 0 299.418 3.264 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2c(O)ccc3ccncc32)CC2(CCC2)O1 ZINC000842641831 635425268 /nfs/dbraw/zinc/42/52/68/635425268.db2.gz XUMOEGKYHWDZGA-CYBMUJFWSA-N 1 0 298.386 3.084 20 10 CGCDRO CC[C@H](C)C[C@@H](CO)[NH2+][C@H](C)c1cc(C)ccc1O ZINC000842919960 635511835 /nfs/dbraw/zinc/51/18/35/635511835.db2.gz XEJFNPMJLYQLAR-YUTCNCBUSA-N 1 0 265.397 3.148 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CO[C@@H](C)C2)c1O ZINC000842927198 635513774 /nfs/dbraw/zinc/51/37/74/635513774.db2.gz CSRJCGTUTHFTNA-JBLDHEPKSA-N 1 0 269.772 3.182 20 10 CGCDRO Cc1cc(O)c(CN2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1C ZINC000843048157 635549099 /nfs/dbraw/zinc/54/90/99/635549099.db2.gz QJGYSSMCQMPQLG-DLBZAZTESA-N 1 0 288.435 3.116 20 10 CGCDRO CC[C@@H]1C[C@@H](CN2CCCc3cc(C[NH3+])ccc32)CCO1 ZINC000843058203 635552748 /nfs/dbraw/zinc/55/27/48/635552748.db2.gz OOOUVYMBOAACLT-DOTOQJQBSA-N 1 0 288.435 3.103 20 10 CGCDRO Cc1nn(C(C)C)cc1CN1CCCc2cc(C[NH3+])ccc21 ZINC000843058560 635553352 /nfs/dbraw/zinc/55/33/52/635553352.db2.gz UMCSOCYZRCINLK-UHFFFAOYSA-N 1 0 298.434 3.184 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cc2cnccc2o1 ZINC000845937069 636120682 /nfs/dbraw/zinc/12/06/82/636120682.db2.gz OYKZEBWFAFGOKE-UHFFFAOYSA-N 1 0 295.386 3.492 20 10 CGCDRO CC(C)C[N@H+](C)CCCNCc1c(O)cccc1Cl ZINC000845997178 636127812 /nfs/dbraw/zinc/12/78/12/636127812.db2.gz WKVRDWCSNQLQEM-UHFFFAOYSA-N 1 0 284.831 3.113 20 10 CGCDRO CC(C)(C)n1cc(C[NH2+]Cc2cc(Cl)ccc2O)cn1 ZINC000846057770 636139567 /nfs/dbraw/zinc/13/95/67/636139567.db2.gz JADICQGGXJMCTR-UHFFFAOYSA-N 1 0 293.798 3.287 20 10 CGCDRO CCOc1ccc(C[NH2+]C2(C3CCC3)CC2)c(O)c1 ZINC000846056262 636139951 /nfs/dbraw/zinc/13/99/51/636139951.db2.gz SANQRYCCTKGUFN-UHFFFAOYSA-N 1 0 261.365 3.213 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000846117150 636146987 /nfs/dbraw/zinc/14/69/87/636146987.db2.gz NMBXZTCOHQEPJJ-LBPRGKRZSA-N 1 0 273.710 3.277 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]CCCC(C)C)c1O ZINC000846138009 636148963 /nfs/dbraw/zinc/14/89/63/636148963.db2.gz WGBHUSCWXSNJHO-GFCCVEGCSA-N 1 0 251.370 3.488 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@H](CC(C)C)N(C)C)c1O ZINC000846139406 636149009 /nfs/dbraw/zinc/14/90/09/636149009.db2.gz UHJWTMZOONDYHC-KBPBESRZSA-N 1 0 294.439 3.028 20 10 CGCDRO CCC1(C[NH2+][C@@H](C)c2cccc(OC)c2O)CCOCC1 ZINC000846144545 636149146 /nfs/dbraw/zinc/14/91/46/636149146.db2.gz HRPCDSAYTGZEGJ-ZDUSSCGKSA-N 1 0 293.407 3.258 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CC[C@H](SC)C2)c1O ZINC000846148668 636149925 /nfs/dbraw/zinc/14/99/25/636149925.db2.gz SWHOTEHMNOHEPG-TUAOUCFPSA-N 1 0 281.421 3.336 20 10 CGCDRO CCOC[C@H]([NH2+][C@H](C)c1cccc(OC)c1O)C(C)C ZINC000846165423 636151392 /nfs/dbraw/zinc/15/13/92/636151392.db2.gz LRYCDDKSSZDRBO-OCCSQVGLSA-N 1 0 281.396 3.113 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+][C@H]2C[C@@H](OC(C)(C)C)C2)c1O ZINC000846175134 636153960 /nfs/dbraw/zinc/15/39/60/636153960.db2.gz WXUQVYKAIMZEFZ-UPJWGTAASA-N 1 0 293.407 3.398 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)COCC2CC2)c1 ZINC000846206037 636158788 /nfs/dbraw/zinc/15/87/88/636158788.db2.gz UHABEUMQUDZACP-STQMWFEESA-N 1 0 263.381 3.166 20 10 CGCDRO COc1ccc2c(c1)CN(Cc1ccc(N(C)C)cc1)C2 ZINC000847045213 636321754 /nfs/dbraw/zinc/32/17/54/636321754.db2.gz LAPOANSJWPMBHV-UHFFFAOYSA-N 1 0 282.387 3.277 20 10 CGCDRO C[C@@]1(CC[NH2+]Cc2cc(F)cc(F)c2[O-])C[C@]1(F)Cl ZINC000883158084 636560385 /nfs/dbraw/zinc/56/03/85/636560385.db2.gz UIBPKJCZBBWAQC-CHWSQXEVSA-N 1 0 293.716 3.465 20 10 CGCDRO CC(C)c1c[nH]c(C[NH2+][C@H](C)c2ccccc2O)n1 ZINC000883225087 636596603 /nfs/dbraw/zinc/59/66/03/636596603.db2.gz ZIMWHDNAQCZMRW-LLVKDONJSA-N 1 0 259.353 3.090 20 10 CGCDRO CCOCc1cc(C[NH2+]C[C@H]2C=CCC2)ccc1OC ZINC000883238711 636607664 /nfs/dbraw/zinc/60/76/64/636607664.db2.gz KIYLRXXXSMEPIL-AWEZNQCLSA-N 1 0 275.392 3.288 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](C)C(=O)OC(C)(C)C)c(O)c1 ZINC000848563906 636607853 /nfs/dbraw/zinc/60/78/53/636607853.db2.gz YWVRACCBPCAVFU-STQMWFEESA-N 1 0 293.407 3.329 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@H](COC)CC(C)(C)C)c1 ZINC000848567446 636610700 /nfs/dbraw/zinc/61/07/00/636610700.db2.gz VFDRFDASRCPTBE-AWEZNQCLSA-N 1 0 295.423 3.332 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CCCN3CCCC[C@@H]23)cc1C ZINC000848574198 636612927 /nfs/dbraw/zinc/61/29/27/636612927.db2.gz BKXXESHHNHMKOQ-SJORKVTESA-N 1 0 288.435 3.110 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](CC)[C@@H]2CCCCO2)c1 ZINC000848574544 636613244 /nfs/dbraw/zinc/61/32/44/636613244.db2.gz FLEMXBRPVCPWIJ-RDJZCZTQSA-N 1 0 293.407 3.228 20 10 CGCDRO CN(C)c1ccc(C[NH2+]Cc2cccc(F)c2F)cc1F ZINC000107712311 636615662 /nfs/dbraw/zinc/61/56/62/636615662.db2.gz INDASXVRCGKMRR-UHFFFAOYSA-N 1 0 294.320 3.460 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@H]2CCC(C)(C)CO2)c1O ZINC000883249621 636620888 /nfs/dbraw/zinc/62/08/88/636620888.db2.gz MIRFIPMMHBQQAT-QWHCGFSZSA-N 1 0 293.407 3.257 20 10 CGCDRO C=C/C=C/CC[NH2+]Cc1ccc(OC)c(COCC)c1 ZINC000883260698 636632505 /nfs/dbraw/zinc/63/25/05/636632505.db2.gz CVIOJVIYQZGKBX-VOTSOKGWSA-N 1 0 275.392 3.454 20 10 CGCDRO COc1cccc(C[NH2+]CC[C@@H]2CCCC2(F)F)c1O ZINC000883266272 636636992 /nfs/dbraw/zinc/63/69/92/636636992.db2.gz WFUDXJWUICDFLZ-LBPRGKRZSA-N 1 0 285.334 3.316 20 10 CGCDRO CCC1(CC)[C@H]([NH2+]Cc2ccc(OC)cc2O)C[C@H]1OC ZINC000131390792 636648578 /nfs/dbraw/zinc/64/85/78/636648578.db2.gz FEMXERANWDPIBQ-HZPDHXFCSA-N 1 0 293.407 3.084 20 10 CGCDRO CCc1cccc(C[N@H+](C)CCc2ncc(C)s2)c1O ZINC000848889594 636677551 /nfs/dbraw/zinc/67/75/51/636677551.db2.gz MUIMOLCZDBBARG-UHFFFAOYSA-N 1 0 290.432 3.394 20 10 CGCDRO CCc1cccc(C[NH2+][C@H](C)CC(C)(C)OC)c1O ZINC000848897124 636679909 /nfs/dbraw/zinc/67/99/09/636679909.db2.gz FHJFUKMENLLVJG-GFCCVEGCSA-N 1 0 265.397 3.248 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@H](CCO)c2ccccc2)c1O ZINC000848896536 636680115 /nfs/dbraw/zinc/68/01/15/636680115.db2.gz CGUQRXCPNMHCDJ-KRWDZBQOSA-N 1 0 299.414 3.210 20 10 CGCDRO CCc1cccc(C[NH2+]CC(C)(C)[C@@H](O)C(C)C)c1O ZINC000848899682 636680932 /nfs/dbraw/zinc/68/09/32/636680932.db2.gz IHNRLOFLKSPDIL-INIZCTEOSA-N 1 0 279.424 3.087 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@@](C)(O)c2ccsc2)c1O ZINC000848898141 636680971 /nfs/dbraw/zinc/68/09/71/636680971.db2.gz YSACGAPEUQLAIV-MRXNPFEDSA-N 1 0 291.416 3.013 20 10 CGCDRO CCc1cccc(C[N@@H+]2CC[C@@H](C)[C@@H](F)C2)c1O ZINC000848900110 636681773 /nfs/dbraw/zinc/68/17/73/636681773.db2.gz AYMCVLIUMPDRNO-RISCZKNCSA-N 1 0 251.345 3.135 20 10 CGCDRO CCc1cccc(C[NH+]2CCC(C)(COC)CC2)c1O ZINC000848900051 636681909 /nfs/dbraw/zinc/68/19/09/636681909.db2.gz ABTIRXYUVDQNCX-UHFFFAOYSA-N 1 0 277.408 3.203 20 10 CGCDRO CCOc1ncccc1C[NH2+]Cc1cccc(CC)c1O ZINC000848901331 636681941 /nfs/dbraw/zinc/68/19/41/636681941.db2.gz XVFPCKXDNKDHKV-UHFFFAOYSA-N 1 0 286.375 3.038 20 10 CGCDRO CCc1cccc(C[NH+]2CCC([C@H]3CCCO3)CC2)c1O ZINC000848906755 636684223 /nfs/dbraw/zinc/68/42/23/636684223.db2.gz YSWGPFQUSNXQAM-QGZVFWFLSA-N 1 0 289.419 3.346 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)c1O ZINC000848908936 636685918 /nfs/dbraw/zinc/68/59/18/636685918.db2.gz GFHQALVHTQKXIO-JKSUJKDBSA-N 1 0 275.392 3.098 20 10 CGCDRO CCc1cccc(C[NH2+]Cc2cc(F)cnc2Cl)c1O ZINC000848913771 636688765 /nfs/dbraw/zinc/68/87/65/636688765.db2.gz DPZSIYDIMKWDNX-UHFFFAOYSA-N 1 0 294.757 3.432 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]C1CCC2(COC2)CC1 ZINC000883391584 636735466 /nfs/dbraw/zinc/73/54/66/636735466.db2.gz NXTFAOWVBLULPF-UHFFFAOYSA-N 1 0 281.783 3.094 20 10 CGCDRO COC[C@@H]([NH2+][C@@H](C)c1cc(C)ccc1O)C(C)C ZINC000086683489 636782595 /nfs/dbraw/zinc/78/25/95/636782595.db2.gz XIYNUFFIXQKZHW-GXTWGEPZSA-N 1 0 251.370 3.022 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+][C@H](C)c3ccncc3)C2)cc1 ZINC000849323219 636809513 /nfs/dbraw/zinc/80/95/13/636809513.db2.gz XIADSFAWXDQTDX-ZBFHGGJFSA-N 1 0 297.402 3.020 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H]2CCc3cc(N)ccc32)c1O ZINC000849353082 636817635 /nfs/dbraw/zinc/81/76/35/636817635.db2.gz YFBDVVAWCHHDFC-MRXNPFEDSA-N 1 0 268.360 3.060 20 10 CGCDRO COC[C@@H](C)C[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850077899 636950942 /nfs/dbraw/zinc/95/09/42/636950942.db2.gz RTAMCRATAYQGSJ-LBPRGKRZSA-N 1 0 295.423 3.070 20 10 CGCDRO COc1cc(C[NH2+][C@H](C)[C@H](C)OC)c(O)c(C(C)(C)C)c1 ZINC000850304486 637011661 /nfs/dbraw/zinc/01/16/61/637011661.db2.gz LVPBBUHNJJDUFJ-NEPJUHHUSA-N 1 0 295.423 3.211 20 10 CGCDRO COc1ccc(O)c(C[NH2+]CCCCC(C)C)c1 ZINC000134295847 637013173 /nfs/dbraw/zinc/01/31/73/637013173.db2.gz PXQOZXYFYRYBFJ-UHFFFAOYSA-N 1 0 251.370 3.317 20 10 CGCDRO C[C@H](COc1c(F)cccc1F)[NH2+]Cc1ccccc1O ZINC000850366782 637031373 /nfs/dbraw/zinc/03/13/73/637031373.db2.gz KSKLMNQXRWDSQN-LLVKDONJSA-N 1 0 293.313 3.228 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+][C@H]1C[C@@H](O)c2ccccc21 ZINC000850372104 637034767 /nfs/dbraw/zinc/03/47/67/637034767.db2.gz PXNFHIHSEURHLK-GOEBONIOSA-N 1 0 289.762 3.314 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+][C@H]1C[C@H](O)c2ccccc21 ZINC000850372105 637035315 /nfs/dbraw/zinc/03/53/15/637035315.db2.gz PXNFHIHSEURHLK-HOCLYGCPSA-N 1 0 289.762 3.314 20 10 CGCDRO CCOc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]3C[C@@H]32)c(O)c1 ZINC000850377899 637038821 /nfs/dbraw/zinc/03/88/21/637038821.db2.gz NEZKCJXEKSMINO-WWGRRREGSA-N 1 0 275.392 3.317 20 10 CGCDRO CCOc1ccc(C[NH2+][C@](C)(CC)C2CC2)c(O)c1 ZINC000850384535 637041978 /nfs/dbraw/zinc/04/19/78/637041978.db2.gz WWAKJKDNKWBDCQ-MRXNPFEDSA-N 1 0 263.381 3.459 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1C[C@@H]1C)c1ccc(Br)cc1O ZINC000134915380 637049387 /nfs/dbraw/zinc/04/93/87/637049387.db2.gz GZMRRGFGVLBUGR-LPEHRKFASA-N 1 0 284.197 3.461 20 10 CGCDRO Cc1cnc([C@@H](C)[NH2+]Cc2cc(C)ccc2O)s1 ZINC000134912168 637050282 /nfs/dbraw/zinc/05/02/82/637050282.db2.gz ZDSYDXJREGJSMO-LLVKDONJSA-N 1 0 262.378 3.316 20 10 CGCDRO COC1([C@@H](C)[NH2+]Cc2ccc3c(c2)CCCN3C)CCC1 ZINC000850429248 637057920 /nfs/dbraw/zinc/05/79/20/637057920.db2.gz AQYXMGGUMJCJHK-CQSZACIVSA-N 1 0 288.435 3.116 20 10 CGCDRO C[C@H]([NH2+][C@H]1COC(C)(C)C1)c1ccc(Cl)cc1O ZINC000850481965 637086179 /nfs/dbraw/zinc/08/61/79/637086179.db2.gz LMDIHMMHVCLDLD-GXSJLCMTSA-N 1 0 269.772 3.264 20 10 CGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H]3CCC[C@H]4C[C@H]43)C2)cc1 ZINC000850485865 637086609 /nfs/dbraw/zinc/08/66/09/637086609.db2.gz BVFSMYMDGTWVST-MJSCVDMRSA-N 1 0 286.419 3.052 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2COC(C)(C)C2)cc1 ZINC000850482846 637087219 /nfs/dbraw/zinc/08/72/19/637087219.db2.gz SGDMORHOFRQIJJ-ZFWWWQNUSA-N 1 0 276.424 3.361 20 10 CGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H]3CCCC3(C)C)C2)cc1 ZINC000850489405 637089167 /nfs/dbraw/zinc/08/91/67/637089167.db2.gz SYVITYSXVZVDBM-RHSMWYFYSA-N 1 0 288.435 3.442 20 10 CGCDRO CC[C@@H](COCC1CC1)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000850493193 637090219 /nfs/dbraw/zinc/09/02/19/637090219.db2.gz HVMYWZSUUFWWLC-FZMZJTMJSA-N 1 0 281.371 3.387 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](C)C1(CO)CC1)c1cc(Cl)ccc1O ZINC000850515639 637099495 /nfs/dbraw/zinc/09/94/95/637099495.db2.gz MRNJDPZWCRRPFY-GXFFZTMASA-N 1 0 283.799 3.247 20 10 CGCDRO C[C@@H]([NH2+][C@H]1COC2(CCC2)C1)c1ccc(Cl)cc1O ZINC000850524419 637103367 /nfs/dbraw/zinc/10/33/67/637103367.db2.gz YDXFQCRRKFKGTM-ZYHUDNBSSA-N 1 0 281.783 3.408 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2C[C@@H](O)c3ccccc32)c1 ZINC000850528756 637107350 /nfs/dbraw/zinc/10/73/50/637107350.db2.gz MUELBNVHBVNRKR-LIXBPZJASA-N 1 0 299.370 3.230 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@]23OCCC[C@H]2C3(F)F)c(O)c1 ZINC000850532048 637109564 /nfs/dbraw/zinc/10/95/64/637109564.db2.gz JAHQIBKLOXGOQT-DFBGVHRSSA-N 1 0 297.345 3.166 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2c(C3CC3)cnn2C)c1 ZINC000850533676 637110343 /nfs/dbraw/zinc/11/03/43/637110343.db2.gz BBCDRQVTFLWGMK-LBPRGKRZSA-N 1 0 285.391 3.162 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+][C@@H]1COc3cc(F)ccc3C1)CC2 ZINC000850536893 637112434 /nfs/dbraw/zinc/11/24/34/637112434.db2.gz KTRFJLWYDSUYBA-LSDHHAIUSA-N 1 0 299.345 3.112 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCN(C2CCCCC2)C1)c1ccccc1O ZINC000850538749 637113848 /nfs/dbraw/zinc/11/38/48/637113848.db2.gz LAESSEOKSYZCDW-HUUCEWRRSA-N 1 0 288.435 3.450 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C(C)C ZINC000850566425 637126683 /nfs/dbraw/zinc/12/66/83/637126683.db2.gz NKMHCNKGHWQXES-SFHVURJKSA-N 1 0 290.451 3.172 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](c2ccccc2)[C@@H](C)O)c1 ZINC000850581968 637132015 /nfs/dbraw/zinc/13/20/15/637132015.db2.gz AJDJCUCYIFNNER-PMUMKWKESA-N 1 0 285.387 3.473 20 10 CGCDRO Oc1ccccc1C[NH2+]Cc1ccccc1OCC(F)F ZINC000885960331 637331614 /nfs/dbraw/zinc/33/16/14/637331614.db2.gz JOLWLLBLTVHESG-UHFFFAOYSA-N 1 0 293.313 3.326 20 10 CGCDRO C[C@H]([NH2+]Cc1cc(C2CC2)no1)c1ccc(N(C)C)cc1 ZINC000851952178 637557958 /nfs/dbraw/zinc/55/79/58/637557958.db2.gz URLOQPPSRUNGPQ-LBPRGKRZSA-N 1 0 285.391 3.469 20 10 CGCDRO Cc1cc(C[N@H+]2CCC[C@H](C)[C@@H]2CCO)ccc1N(C)C ZINC000852461403 637654946 /nfs/dbraw/zinc/65/49/46/637654946.db2.gz IQSASNBODIXUGB-KSSFIOAISA-N 1 0 290.451 3.044 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CC3(CCC3)CO2)c(O)c1 ZINC000886701540 637664665 /nfs/dbraw/zinc/66/46/65/637664665.db2.gz QYWADCBGJZKROS-UONOGXRCSA-N 1 0 275.392 3.310 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](CCF)C2)cc1 ZINC000852533374 637674422 /nfs/dbraw/zinc/67/44/22/637674422.db2.gz UAFXFTHBTVBSTL-CQSZACIVSA-N 1 0 264.388 3.324 20 10 CGCDRO CC[C@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1O)C1CC1 ZINC000852555105 637678914 /nfs/dbraw/zinc/67/89/14/637678914.db2.gz JKUSDOJOKBZMIN-AWEZNQCLSA-N 1 0 265.328 3.012 20 10 CGCDRO Cc1cc(C[N@@H+]2CC[C@@H]([C@H]3CCCO3)C2)ccc1N(C)C ZINC000886818647 637704118 /nfs/dbraw/zinc/70/41/18/637704118.db2.gz HRSFBKKEZYRPEA-SJLPKXTDSA-N 1 0 288.435 3.062 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C2(C3CC3)CCC2)c1 ZINC000886825345 637709650 /nfs/dbraw/zinc/70/96/50/637709650.db2.gz QWXUXRNLCAINMU-NSHDSACASA-N 1 0 261.365 3.384 20 10 CGCDRO C[C@H]1C[C@H]([NH2+]Cc2cccc(N)c2)c2c1c(F)ccc2O ZINC000854216516 638024948 /nfs/dbraw/zinc/02/49/48/638024948.db2.gz BIEBGBJWQVDJTC-HZMBPMFUSA-N 1 0 286.350 3.452 20 10 CGCDRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000112675785 638104296 /nfs/dbraw/zinc/10/42/96/638104296.db2.gz FFSRSGZGONGIRU-KBPBESRZSA-N 1 0 291.391 3.425 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]CC[C@@H]2CC2(F)F)c1O ZINC000857080941 638453769 /nfs/dbraw/zinc/45/37/69/638453769.db2.gz LVXZYSYDWXQUQY-VHSXEESVSA-N 1 0 271.307 3.097 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccnc(F)c2)cc1 ZINC000858100590 638628362 /nfs/dbraw/zinc/62/83/62/638628362.db2.gz KYZOQPXEJXQRPK-UHFFFAOYSA-N 1 0 287.382 3.357 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccncc1Cl ZINC000858139126 638640976 /nfs/dbraw/zinc/64/09/76/638640976.db2.gz OVELFFRYQYXPCN-UHFFFAOYSA-N 1 0 289.810 3.399 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CC[C@@H]2CCCOC2)cc1 ZINC000858206306 638657066 /nfs/dbraw/zinc/65/70/66/638657066.db2.gz OHJJGJHCVJUSOS-KRWDZBQOSA-N 1 0 290.451 3.439 20 10 CGCDRO CSCc1cnc(C[NH2+]Cc2cc(C)ccc2O)s1 ZINC000858239156 638661919 /nfs/dbraw/zinc/66/19/19/638661919.db2.gz KHDQXFPLOAWREO-UHFFFAOYSA-N 1 0 294.445 3.310 20 10 CGCDRO CCOc1ccc(C[NH2+][C@H](C)c2ccns2)c(O)c1 ZINC000858317428 638680385 /nfs/dbraw/zinc/68/03/85/638680385.db2.gz NVOKGEXEOONUAB-SNVBAGLBSA-N 1 0 278.377 3.098 20 10 CGCDRO C[C@H]1Cc2cc(C[NH2+][C@@H]3CCc4cccc(O)c43)ccc2O1 ZINC000926921887 638826255 /nfs/dbraw/zinc/82/62/55/638826255.db2.gz WNGUQSAXZNMNAQ-BLLLJJGKSA-N 1 0 295.382 3.493 20 10 CGCDRO C[C@@H]([NH2+]C[C@@]1(C)CCCCO1)c1cc(F)ccc1O ZINC000927023319 638832934 /nfs/dbraw/zinc/83/29/34/638832934.db2.gz UVBGVLLLYKEUJN-IAQYHMDHSA-N 1 0 267.344 3.141 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCS[C@H](C)C1)c1cc(F)ccc1O ZINC000927029711 638833961 /nfs/dbraw/zinc/83/39/61/638833961.db2.gz DSEQAPIYHKEZQU-JFGNBEQYSA-N 1 0 269.385 3.466 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCS[C@H](C)C1)c1cc(F)ccc1O ZINC000927029712 638834003 /nfs/dbraw/zinc/83/40/03/638834003.db2.gz DSEQAPIYHKEZQU-SCVCMEIPSA-N 1 0 269.385 3.466 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]Cc2cccc3c2OCC3)c1O ZINC000927090159 638840222 /nfs/dbraw/zinc/84/02/22/638840222.db2.gz NJDRAHSCTBXQAJ-LBPRGKRZSA-N 1 0 299.370 3.187 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]C2([C@H]3CCCCO3)CC2)c1O ZINC000927161713 638849125 /nfs/dbraw/zinc/84/91/25/638849125.db2.gz YXLFGPGJLHVNNU-IUODEOHRSA-N 1 0 291.391 3.153 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(C)cc(C)n2)c1 ZINC000930216805 638983354 /nfs/dbraw/zinc/98/33/54/638983354.db2.gz OEAOMSKABMANRJ-ZDUSSCGKSA-N 1 0 286.375 3.263 20 10 CGCDRO CO[C@H]1C[C@@H](C[NH2+][C@H](C)c2c(C)cc(C)cc2O)C1 ZINC000858593174 638999115 /nfs/dbraw/zinc/99/91/15/638999115.db2.gz VARGYVOUVPZDCT-MCIONIFRSA-N 1 0 263.381 3.085 20 10 CGCDRO C[C@H]([NH2+]CCCc1cccnc1)c1ccccc1O ZINC000931558659 639170677 /nfs/dbraw/zinc/17/06/77/639170677.db2.gz WKROQKUOEFZZHD-ZDUSSCGKSA-N 1 0 256.349 3.071 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]Cc1ccc(Cl)nc1 ZINC000036387993 639358500 /nfs/dbraw/zinc/35/85/00/639358500.db2.gz IPZRIXWTEDMSMG-UHFFFAOYSA-N 1 0 283.158 3.384 20 10 CGCDRO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](C)C2)c1O ZINC000040719056 639896549 /nfs/dbraw/zinc/89/65/49/639896549.db2.gz QRYLSSYQWGRCNR-SECBINFHSA-N 1 0 267.756 3.090 20 10 CGCDRO COc1cc(C[N@H+](C)CC2CCCC2)c(O)cc1C ZINC000160031337 640087015 /nfs/dbraw/zinc/08/70/15/640087015.db2.gz ZOSIDPYNTRNVIR-UHFFFAOYSA-N 1 0 263.381 3.331 20 10 CGCDRO Cc1ccc(O)c(C[N@H+]2CCC[C@]2(CO)CC(C)C)c1 ZINC000188039742 640115180 /nfs/dbraw/zinc/11/51/80/640115180.db2.gz RKCDHQZPRTURGF-QGZVFWFLSA-N 1 0 277.408 3.074 20 10 CGCDRO CCOC[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(C)C ZINC000189355917 640188764 /nfs/dbraw/zinc/18/87/64/640188764.db2.gz UCYMJKJOYIHMBD-WMLDXEAASA-N 1 0 278.440 3.464 20 10 CGCDRO C[C@@H]([NH2+]Cc1cc(F)ccc1O)c1cccc(O)c1 ZINC000192035328 640345451 /nfs/dbraw/zinc/34/54/51/640345451.db2.gz HMMSJPJGXUMPRD-SNVBAGLBSA-N 1 0 261.296 3.088 20 10 CGCDRO CCCN(Cc1cnc2ccccn12)c1ccc(C[NH3+])cc1 ZINC000194979314 640561154 /nfs/dbraw/zinc/56/11/54/640561154.db2.gz LXHNQDMPZBGICL-UHFFFAOYSA-N 1 0 294.402 3.210 20 10 CGCDRO CC[N@H+](Cc1ccccn1)Cc1cc2c(cc1O)CCC2 ZINC000084481476 640606632 /nfs/dbraw/zinc/60/66/32/640606632.db2.gz BGGQQPVWXCPXQB-UHFFFAOYSA-N 1 0 282.387 3.298 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)C[C@H]2CCC[C@H]2O)cc1 ZINC000245697125 640632704 /nfs/dbraw/zinc/63/27/04/640632704.db2.gz BFGWBDVZAKTZNT-SJLPKXTDSA-N 1 0 290.451 3.126 20 10 CGCDRO C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1ccc(F)cc1[O-] ZINC000246166449 640661602 /nfs/dbraw/zinc/66/16/02/640661602.db2.gz BSCLTWUKIRCTAH-ZIAGYGMSSA-N 1 0 294.414 3.446 20 10 CGCDRO CC[C@H](C)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000246164510 640661823 /nfs/dbraw/zinc/66/18/23/640661823.db2.gz DTGUTOFEYVDUCN-GOEBONIOSA-N 1 0 277.408 3.419 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@]2(C)CCCO2)cc1 ZINC000246932763 640700004 /nfs/dbraw/zinc/70/00/04/640700004.db2.gz GPJAJGAJUDYSNC-RHSMWYFYSA-N 1 0 276.424 3.362 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)[C@H]1c1ccccc1 ZINC000247424405 640720849 /nfs/dbraw/zinc/72/08/49/640720849.db2.gz KZPZRWUVTRAEIZ-KZULUSFZSA-N 1 0 297.354 3.314 20 10 CGCDRO CCN1CCCC[C@@H]1C[NH2+][C@H](C)c1cc(C)ccc1O ZINC000248483412 640763468 /nfs/dbraw/zinc/76/34/68/640763468.db2.gz CSPAAOTYDHYLGZ-HUUCEWRRSA-N 1 0 276.424 3.226 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCN2CCCC[C@H]2C)c1 ZINC000248493081 640764371 /nfs/dbraw/zinc/76/43/71/640764371.db2.gz JUETUUBMYQVBJJ-HUUCEWRRSA-N 1 0 276.424 3.226 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CCS[C@@H](C(C)C)C2)c1 ZINC000093869310 640784456 /nfs/dbraw/zinc/78/44/56/640784456.db2.gz JMMHNZHLUJMLQI-MRXNPFEDSA-N 1 0 295.448 3.364 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCc2cccc(C)n2)c1 ZINC000279999915 641035053 /nfs/dbraw/zinc/03/50/53/641035053.db2.gz FXIQSJKSKXEOOC-CQSZACIVSA-N 1 0 270.376 3.297 20 10 CGCDRO Nc1ccc(Nc2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC001159523415 806117340 /nfs/dbraw/zinc/11/73/40/806117340.db2.gz LAFYELLUJKZIOC-UHFFFAOYSA-N 1 0 297.402 3.487 20 10 CGCDRO CCC[C@@H](O)C[NH2+][C@@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001252809914 806124388 /nfs/dbraw/zinc/12/43/88/806124388.db2.gz UNWRQYAXGLRTJV-CXAGYDPISA-N 1 0 291.435 3.383 20 10 CGCDRO CC(C)(C)[C@H](O)C[NH2+]Cc1cc2ccccc2cc1O ZINC001253746608 806295038 /nfs/dbraw/zinc/29/50/38/806295038.db2.gz NPDOLVPLBKMKRT-MRXNPFEDSA-N 1 0 273.376 3.042 20 10 CGCDRO Oc1ccc(CC[NH2+]C2CCc3ccccc3CC2)cc1O ZINC001254451404 806404694 /nfs/dbraw/zinc/40/46/94/806404694.db2.gz RINYAQYGLMPIOB-UHFFFAOYSA-N 1 0 297.398 3.178 20 10 CGCDRO C[C@H]1CCC[C@@H]([N@H+](C)Cc2cc3c(cc2O)OCO3)C1 ZINC000025484191 798839572 /nfs/dbraw/zinc/83/95/72/798839572.db2.gz NMSKSZNXZGPKBV-WCQYABFASA-N 1 0 277.364 3.131 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](C)CN1CCCCC1)c1ccccc1O ZINC000037153609 798859933 /nfs/dbraw/zinc/85/99/33/798859933.db2.gz LVIOQOCWILTYHZ-GOEBONIOSA-N 1 0 276.424 3.307 20 10 CGCDRO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H]2C)c1O ZINC000037911479 798879022 /nfs/dbraw/zinc/87/90/22/798879022.db2.gz VVGUDXAPJXGXOK-VIFPVBQESA-N 1 0 267.756 3.233 20 10 CGCDRO C[C@H](CC(F)(F)F)[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001255663084 806698186 /nfs/dbraw/zinc/69/81/86/806698186.db2.gz XVXFQKLPKCEDQB-SECBINFHSA-N 1 0 289.297 3.187 20 10 CGCDRO CC(C)(C)c1cc(C[NH2+]CCCO)c(O)c(C(C)(C)C)c1 ZINC000138549890 799039884 /nfs/dbraw/zinc/03/98/84/799039884.db2.gz AXIYOLQNUBDAGG-UHFFFAOYSA-N 1 0 293.451 3.459 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CC2(CO)CCCC2)cc1 ZINC000160094496 799075737 /nfs/dbraw/zinc/07/57/37/799075737.db2.gz LNPPYOSHVHKODF-UHFFFAOYSA-N 1 0 290.451 3.175 20 10 CGCDRO CC[C@H]([NH2+]CC1(N(C)C)CCCC1)c1ccccc1O ZINC000160690549 799077192 /nfs/dbraw/zinc/07/71/92/799077192.db2.gz ORFFWEPFZREPML-HNNXBMFYSA-N 1 0 276.424 3.307 20 10 CGCDRO CO[C@@H]1CC[N@H+](Cc2c(O)cccc2Cl)[C@@H](C)C1 ZINC000305919986 799213710 /nfs/dbraw/zinc/21/37/10/799213710.db2.gz GWLMSQZFKRWJNH-WDEREUQCSA-N 1 0 269.772 3.045 20 10 CGCDRO Cc1cccc(C[NH2+][C@H](C)CN(C)Cc2ccccc2)c1O ZINC000381063109 799370309 /nfs/dbraw/zinc/37/03/09/799370309.db2.gz LTCIICWHTXIVND-MRXNPFEDSA-N 1 0 298.430 3.311 20 10 CGCDRO CO[C@@H]([C@@H](C)[NH2+][C@@H](C)c1ccc(C)cc1O)C1CC1 ZINC000388281185 799451469 /nfs/dbraw/zinc/45/14/69/799451469.db2.gz MLBFZSVPYYULTQ-OZVIIMIRSA-N 1 0 263.381 3.165 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)[C@@H]2CCCOC2)cc1 ZINC000388903845 799458001 /nfs/dbraw/zinc/45/80/01/799458001.db2.gz AZYHFYPPOJVUKI-DOTOQJQBSA-N 1 0 290.451 3.438 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)[C@H]1CCCOC1)c1ccccc1O ZINC000389041897 799459852 /nfs/dbraw/zinc/45/98/52/799459852.db2.gz ZOYQLJQNSCRCSZ-IPYPFGDCSA-N 1 0 263.381 3.248 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]C[C@@H]1CCCCC1(F)F ZINC000390581244 799471917 /nfs/dbraw/zinc/47/19/17/799471917.db2.gz QGNCLLQZSXJMCS-NSHDSACASA-N 1 0 273.298 3.446 20 10 CGCDRO COc1ccc(C[NH2+]C2CCC(CSC)CC2)c(O)c1 ZINC000395321968 799504951 /nfs/dbraw/zinc/50/49/51/799504951.db2.gz ATHMABHYKYWVNW-UHFFFAOYSA-N 1 0 295.448 3.412 20 10 CGCDRO CCOc1cccc(C[N@@H+]2C[C@H](C)C[C@H]2CC)c1O ZINC000399608853 799539558 /nfs/dbraw/zinc/53/95/58/799539558.db2.gz PZOSTCGGDBSRMK-TZMCWYRMSA-N 1 0 263.381 3.411 20 10 CGCDRO CCOc1cccc(C[N@@H+]2C[C@H](C)[C@H](C)[C@H]2C)c1O ZINC000399625461 799539602 /nfs/dbraw/zinc/53/96/02/799539602.db2.gz SOEAILJQPCQSSJ-RWMBFGLXSA-N 1 0 263.381 3.267 20 10 CGCDRO Cc1scc(C[NH2+]Cc2cc3c(cc2O)OCO3)c1C ZINC000400004540 799543267 /nfs/dbraw/zinc/54/32/67/799543267.db2.gz UBVLBLXIOWZHDM-UHFFFAOYSA-N 1 0 291.372 3.089 20 10 CGCDRO Oc1ccc(Br)cc1C[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403788367 799571025 /nfs/dbraw/zinc/57/10/25/799571025.db2.gz ZVPUAJUSWWKCLB-OUJBWJOFSA-N 1 0 296.208 3.433 20 10 CGCDRO CC[C@@H]1COC(C)(C)C[N@@H+]1Cc1cccc(C)c1O ZINC000403821213 799572558 /nfs/dbraw/zinc/57/25/58/799572558.db2.gz LSMROZWTCFANMS-CQSZACIVSA-N 1 0 263.381 3.090 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(C)ns2)c1 ZINC000404398035 799575697 /nfs/dbraw/zinc/57/56/97/799575697.db2.gz PONGIAJKXKDBKA-SNVBAGLBSA-N 1 0 278.377 3.017 20 10 CGCDRO OCCC1([NH2+]Cc2cc(Cl)ccc2O)CCCCC1 ZINC000687283011 799738299 /nfs/dbraw/zinc/73/82/99/799738299.db2.gz VZXSWVHEKBGQSC-UHFFFAOYSA-N 1 0 283.799 3.221 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C2CCC(F)(F)CC2)cc1 ZINC000688268835 799746102 /nfs/dbraw/zinc/74/61/02/799746102.db2.gz WCYMVUJBMIIIRA-UHFFFAOYSA-N 1 0 268.351 3.420 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1CCC[C@@H](C)O1)c1ccc(N(C)C)cc1 ZINC000688881013 799756674 /nfs/dbraw/zinc/75/66/74/799756674.db2.gz VIEIIOOEJGIZNC-JKIFEVAISA-N 1 0 276.424 3.361 20 10 CGCDRO COc1ccc(C[NH2+]CCc2ccc(C)o2)cc1C ZINC000689794912 799769051 /nfs/dbraw/zinc/76/90/51/799769051.db2.gz NHSLQGLFUCGFCS-UHFFFAOYSA-N 1 0 259.349 3.237 20 10 CGCDRO CCOc1cccc(C[N@H+](C)CCOC(C)(C)C)c1O ZINC000689899851 799770117 /nfs/dbraw/zinc/77/01/17/799770117.db2.gz ZPRHMKAUKUQINB-UHFFFAOYSA-N 1 0 281.396 3.038 20 10 CGCDRO CC1(C[NH2+]Cc2ccc(Br)cc2O)CC1 ZINC000691394144 799783740 /nfs/dbraw/zinc/78/37/40/799783740.db2.gz ATADCADCXOURTR-UHFFFAOYSA-N 1 0 270.170 3.044 20 10 CGCDRO Oc1cc(Br)ccc1C[NH2+]CC1(C2CC2)CC1 ZINC000691476807 799783883 /nfs/dbraw/zinc/78/38/83/799783883.db2.gz NRQLIEBLJKDPKO-UHFFFAOYSA-N 1 0 296.208 3.435 20 10 CGCDRO CCc1cccc(C[NH2+]Cc2nc(C)cs2)c1O ZINC000691492621 799785008 /nfs/dbraw/zinc/78/50/08/799785008.db2.gz HKWSPOZZKHUDJJ-UHFFFAOYSA-N 1 0 262.378 3.009 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]C[C@@H]1CCC2(CCCC2)O1 ZINC000691821016 799787894 /nfs/dbraw/zinc/78/78/94/799787894.db2.gz NYHANCFSQQNXPS-AWEZNQCLSA-N 1 0 279.355 3.113 20 10 CGCDRO C[C@@H](C[NH2+][C@@H](C)c1cc(F)ccc1O)c1ccccn1 ZINC000692694668 799797292 /nfs/dbraw/zinc/79/72/92/799797292.db2.gz HLFORFYSYRYEKG-RYUDHWBXSA-N 1 0 274.339 3.381 20 10 CGCDRO CC(C)(C)N1CC[C@H]([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000693866749 799815850 /nfs/dbraw/zinc/81/58/50/799815850.db2.gz IFEBPJZOIIONTC-ZDUSSCGKSA-N 1 0 282.815 3.008 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2C[C@H]2C2CC2)c1 ZINC000698877225 799856409 /nfs/dbraw/zinc/85/64/09/799856409.db2.gz YKYWKYCLLTXLMG-WBIUFABUSA-N 1 0 261.365 3.098 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]CCSCC(F)(F)F ZINC000698947434 799857416 /nfs/dbraw/zinc/85/74/16/799857416.db2.gz TVHACELLAZOPCR-UHFFFAOYSA-N 1 0 299.745 3.431 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]CCSCC(F)(F)F)c1 ZINC000698884652 799857573 /nfs/dbraw/zinc/85/75/73/799857573.db2.gz LQBCPPFHHXMNEO-UHFFFAOYSA-N 1 0 279.327 3.086 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)c1ccc(N(C)C)cc1 ZINC000699009682 799858300 /nfs/dbraw/zinc/85/83/00/799858300.db2.gz FNYMMIKSEFZYSI-NUTKFTJISA-N 1 0 258.409 3.449 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](C)CC(F)F)c1 ZINC000700074598 799867732 /nfs/dbraw/zinc/86/77/32/799867732.db2.gz NHYFAGXLUBYYPM-VHSXEESVSA-N 1 0 273.323 3.343 20 10 CGCDRO CC(C)O[C@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000701717410 799893076 /nfs/dbraw/zinc/89/30/76/799893076.db2.gz AGFDNTLGKGUUHI-ZDUSSCGKSA-N 1 0 269.772 3.045 20 10 CGCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](OC(C)C)C2)c1O ZINC000701730524 799893265 /nfs/dbraw/zinc/89/32/65/799893265.db2.gz XFVVAXHEDWYPRQ-CYBMUJFWSA-N 1 0 299.798 3.054 20 10 CGCDRO C[C@@H]([NH2+]CCC1(F)CCC1)c1cc(F)ccc1O ZINC000702439395 799909331 /nfs/dbraw/zinc/90/93/31/799909331.db2.gz HLBRFMNYAAUOIG-SNVBAGLBSA-N 1 0 255.308 3.464 20 10 CGCDRO CCC[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000708479817 799990136 /nfs/dbraw/zinc/99/01/36/799990136.db2.gz AGXPWLCZGROYDE-LBPRGKRZSA-N 1 0 277.364 3.133 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCO[C@H](C(C)(C)C)C2)c1O ZINC000709022353 800001088 /nfs/dbraw/zinc/00/10/88/800001088.db2.gz VXQNVNHKKSLFBC-HNNXBMFYSA-N 1 0 277.408 3.202 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@@H]1CCC3(CCC3)O1)CC2 ZINC000711447123 800058863 /nfs/dbraw/zinc/05/88/63/800058863.db2.gz HREFIKRTKYSXHR-KBPBESRZSA-N 1 0 273.376 3.071 20 10 CGCDRO CC[C@H]([NH2+]CCC(C)(C)OC)c1ccccc1O ZINC000711886079 800078942 /nfs/dbraw/zinc/07/89/42/800078942.db2.gz VDTWUPMKXXQUCF-ZDUSSCGKSA-N 1 0 251.370 3.248 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](OC)C23CCC3)cc1C ZINC000713482007 800110552 /nfs/dbraw/zinc/11/05/52/800110552.db2.gz ZVROUAITFFGFDX-HOTGVXAUSA-N 1 0 275.392 3.051 20 10 CGCDRO C[C@H]([NH2+]CC[C@H]1CCCS1)c1cc(F)ccc1O ZINC000715713935 800144239 /nfs/dbraw/zinc/14/42/39/800144239.db2.gz BMBXKFAPNQWFBO-CMPLNLGQSA-N 1 0 269.385 3.468 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]CC[C@H]1CCC2(CCC2)O1 ZINC000717150693 800195349 /nfs/dbraw/zinc/19/53/49/800195349.db2.gz RPHTWXIHOBSWPJ-CQSZACIVSA-N 1 0 279.355 3.113 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H]1CC(C)(C)CO1)c1ccccc1O ZINC000717318315 800199441 /nfs/dbraw/zinc/19/94/41/800199441.db2.gz NSCBQBNJXUXLFL-GXTWGEPZSA-N 1 0 263.381 3.248 20 10 CGCDRO CO[C@H]1CCC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000718286271 800215172 /nfs/dbraw/zinc/21/51/72/800215172.db2.gz PIHXIPVBBRKKBA-HOTGVXAUSA-N 1 0 275.392 3.059 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]Cc1nc3c(s1)CCC3)CC2 ZINC000719562929 800243163 /nfs/dbraw/zinc/24/31/63/800243163.db2.gz WMFILIVCUIZYKB-LBPRGKRZSA-N 1 0 286.400 3.115 20 10 CGCDRO C[C@@H]1CCC[C@@H](C[NH2+]C/C=C\c2ccc(N(C)C)cc2)O1 ZINC000850379351 800518034 /nfs/dbraw/zinc/51/80/34/800518034.db2.gz MCYYJAUIURGKQS-CBCNTLDJSA-N 1 0 288.435 3.313 20 10 CGCDRO CCCC[NH+]1CCN(c2ccc(OCC)cc2)CC1 ZINC001116348492 802333391 /nfs/dbraw/zinc/33/33/91/802333391.db2.gz XXNWDEVYXTXERF-UHFFFAOYSA-N 1 0 262.397 3.007 20 10 CGCDRO C[N@H+](Cc1ccncc1)Cc1ccc(N2CCCC2)cc1 ZINC001116590417 802383075 /nfs/dbraw/zinc/38/30/75/802383075.db2.gz UDPUJXQIHAGADJ-UHFFFAOYSA-N 1 0 281.403 3.314 20 10 CGCDRO C/C=C/C[C@H](CO)[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2C ZINC001116629674 802388415 /nfs/dbraw/zinc/38/84/15/802388415.db2.gz PKKQEATXBWPHCU-DACWGTRXSA-N 1 0 275.392 3.166 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2CC[C@](CO)(C(C)C)C2)cc1Cl ZINC001118577347 802585685 /nfs/dbraw/zinc/58/56/85/802585685.db2.gz DJSBMVGOEOTQKT-INIZCTEOSA-N 1 0 297.826 3.194 20 10 CGCDRO COCCC1([NH2+]Cc2cc(F)c(N(C)C)cc2F)CCC1 ZINC001118804482 802605824 /nfs/dbraw/zinc/60/58/24/802605824.db2.gz LVTJDTWOSKBOQX-UHFFFAOYSA-N 1 0 298.377 3.080 20 10 CGCDRO Cc1cc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)c(C)nn1 ZINC001119822310 802701707 /nfs/dbraw/zinc/70/17/07/802701707.db2.gz GNBQVRIBKAWGKI-CYBMUJFWSA-N 1 0 284.407 3.010 20 10 CGCDRO CCSCC[C@H](C)[N@H+](C)Cc1ccc(N)cc1 ZINC001120262817 802737387 /nfs/dbraw/zinc/73/73/87/802737387.db2.gz DTTWWGQQVZHOHC-LBPRGKRZSA-N 1 0 252.427 3.232 20 10 CGCDRO CCOc1cccc(C[N@H+](C)Cc2ccc(C)nc2)c1O ZINC001203615317 812406478 /nfs/dbraw/zinc/40/64/78/812406478.db2.gz QMCPROCLLCMIMH-UHFFFAOYSA-N 1 0 286.375 3.126 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CCC[C@@H](CSC)C2)c(O)c1 ZINC001205998652 813159415 /nfs/dbraw/zinc/15/94/15/813159415.db2.gz ORNBDTZRLMJWLM-CYBMUJFWSA-N 1 0 295.448 3.284 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)Cc2cncc(Cl)c2)cc1 ZINC001136997568 803668775 /nfs/dbraw/zinc/66/87/75/803668775.db2.gz FMFRTCXBBIVONK-UHFFFAOYSA-N 1 0 289.810 3.433 20 10 CGCDRO Cc1c(C[N@@H+]2CCc3cnccc3C2)c2ccccc2n1C ZINC001138252485 803879498 /nfs/dbraw/zinc/87/94/98/803879498.db2.gz INQRPCDKOOGTOZ-UHFFFAOYSA-N 1 0 291.398 3.440 20 10 CGCDRO COC[C@H]1CCC[N@@H+]1Cc1c(C)n(C)c2ccccc21 ZINC001138252275 803879900 /nfs/dbraw/zinc/87/99/00/803879900.db2.gz AFXVAXXWNOJZEU-CQSZACIVSA-N 1 0 272.392 3.098 20 10 CGCDRO Cc1c(C[N@@H+]2CCCC(=O)CC2)c2ccccc2n1C ZINC001138253788 803881636 /nfs/dbraw/zinc/88/16/36/803881636.db2.gz GQGDVECXXYGZHW-UHFFFAOYSA-N 1 0 270.376 3.042 20 10 CGCDRO CCCO[C@@H]1CC[N@H+](Cc2c(C)n(C)c3ccccc32)C1 ZINC001138257006 803883168 /nfs/dbraw/zinc/88/31/68/803883168.db2.gz RUAMBRVOJLJHHC-OAHLLOKOSA-N 1 0 286.419 3.488 20 10 CGCDRO CC[N@@H+]1CCN(Cc2c3ccccc3n(C)c2C)C[C@H]1C ZINC001138260870 803887168 /nfs/dbraw/zinc/88/71/68/803887168.db2.gz VJROPKFXBZUZAO-CQSZACIVSA-N 1 0 285.435 3.013 20 10 CGCDRO CN1CCCc2cc(C[N@H+](C)CC3CCC3)ccc21 ZINC001138356064 803900656 /nfs/dbraw/zinc/90/06/56/803900656.db2.gz AFDWKDSGSXHRQD-UHFFFAOYSA-N 1 0 258.409 3.301 20 10 CGCDRO CN1CCCc2cc(C[N@@H+]3CCC[C@H]4C[C@H]43)ccc21 ZINC001138359224 803902513 /nfs/dbraw/zinc/90/25/13/803902513.db2.gz OAWAWZRRQQMUBI-DOTOQJQBSA-N 1 0 256.393 3.053 20 10 CGCDRO Cn1ccc2c1cccc2C[N@@H+]1CCc2cccc(O)c2C1 ZINC001139162455 804146529 /nfs/dbraw/zinc/14/65/29/804146529.db2.gz TUIVVBOFIKYQBK-UHFFFAOYSA-N 1 0 292.382 3.442 20 10 CGCDRO Cc1cc(C[N@@H+]2CCCC[C@H](F)C2)ccc1N(C)C ZINC001139669678 804245860 /nfs/dbraw/zinc/24/58/60/804245860.db2.gz GVHJYZCABUAVEY-HNNXBMFYSA-N 1 0 264.388 3.385 20 10 CGCDRO Cc1cc(C[N@@H+](CCCCCO)C(C)C)ccc1N(C)C ZINC001139673218 804247657 /nfs/dbraw/zinc/24/76/57/804247657.db2.gz DFIOMVMRZYVUGY-UHFFFAOYSA-N 1 0 292.467 3.434 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](C(C)(C)C)C2)cc1 ZINC001246307902 804271626 /nfs/dbraw/zinc/27/16/26/804271626.db2.gz FLYWXVXOYCBNKP-WBVHZDCISA-N 1 0 289.467 3.009 20 10 CGCDRO Cc1ccc2c(c1)C[N@@H+](Cc1cc(F)ccc1O)CC2 ZINC001140057716 804366071 /nfs/dbraw/zinc/36/60/71/804366071.db2.gz LDOWJHAFPNHYAY-UHFFFAOYSA-N 1 0 271.335 3.398 20 10 CGCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)c1O ZINC001140179400 804396303 /nfs/dbraw/zinc/39/63/03/804396303.db2.gz JRUGNPDMRBCHDJ-MRXNPFEDSA-N 1 0 298.386 3.057 20 10 CGCDRO Oc1cc(Cl)ccc1C[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC001140467576 804442959 /nfs/dbraw/zinc/44/29/59/804442959.db2.gz YGRGNZXKCUDANZ-CYBMUJFWSA-N 1 0 288.778 3.430 20 10 CGCDRO OCC[N@H+](Cc1cccs1)Cc1ccc(Cl)cc1O ZINC001140466700 804443221 /nfs/dbraw/zinc/44/32/21/804443221.db2.gz LGULWNMIOABOML-UHFFFAOYSA-N 1 0 297.807 3.102 20 10 CGCDRO CCCCC[NH+]1CCN(Cc2ccc(Cl)cc2O)CC1 ZINC001140467581 804443375 /nfs/dbraw/zinc/44/33/75/804443375.db2.gz YJJYWCKBOPXEAJ-UHFFFAOYSA-N 1 0 296.842 3.353 20 10 CGCDRO [O-]c1cc(F)cc(F)c1C[N@@H+]1CCCCC12CC2 ZINC001140584586 804468747 /nfs/dbraw/zinc/46/87/47/804468747.db2.gz XSVZBCDZQMJDBQ-UHFFFAOYSA-N 1 0 253.292 3.189 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCCC[C@](C)(F)C2)c1 ZINC001140619450 804476642 /nfs/dbraw/zinc/47/66/42/804476642.db2.gz DDTKNMQIGYINOJ-HNNXBMFYSA-N 1 0 251.345 3.415 20 10 CGCDRO Cc1ccc(O)c(C[N@H+](Cc2ccco2)C2CC2)c1 ZINC001140623668 804476869 /nfs/dbraw/zinc/47/68/69/804476869.db2.gz OSMVGBRJFJEJOS-UHFFFAOYSA-N 1 0 257.333 3.458 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCOC[C@H]2Cc2ccccc2)c1 ZINC001140622823 804476877 /nfs/dbraw/zinc/47/68/77/804476877.db2.gz AATXUIQGEOQMOJ-GOSISDBHSA-N 1 0 297.398 3.144 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](Oc3cccc(C)n3)C2)c1 ZINC001140624524 804477615 /nfs/dbraw/zinc/47/76/15/804477615.db2.gz ZSVGXKXBEMNWFY-MRXNPFEDSA-N 1 0 298.386 3.057 20 10 CGCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@H]3CCC[C@H]3C2)c1O ZINC001140744436 804502616 /nfs/dbraw/zinc/50/26/16/804502616.db2.gz XFCYNWZCNYIDJZ-OLZOCXBDSA-N 1 0 261.365 3.028 20 10 CGCDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@H]2c2ccccn2)c1O ZINC001140746064 804502826 /nfs/dbraw/zinc/50/28/26/804502826.db2.gz UHFVHPWBIFWUTG-HNNXBMFYSA-N 1 0 284.359 3.138 20 10 CGCDRO Cc1c(O)ccc(C[NH+]2CCc3ccccc3CC2)c1O ZINC001140745321 804503177 /nfs/dbraw/zinc/50/31/77/804503177.db2.gz FQOPXTBIJBKNRD-UHFFFAOYSA-N 1 0 283.371 3.007 20 10 CGCDRO Cc1c(O)ccc(C[N@H+](C)CCc2ccccc2F)c1O ZINC001140749742 804504305 /nfs/dbraw/zinc/50/43/05/804504305.db2.gz LJAZTUQIHVXZDW-UHFFFAOYSA-N 1 0 289.350 3.220 20 10 CGCDRO CCN(CCC[NH+](C)C)Cc1ccc(N(C)C)cc1Cl ZINC001140925862 804550189 /nfs/dbraw/zinc/55/01/89/804550189.db2.gz GCPCDSMSZMWKSX-UHFFFAOYSA-N 1 0 297.874 3.180 20 10 CGCDRO CO[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2Cl)[C@@H](C)C1 ZINC001140927519 804550553 /nfs/dbraw/zinc/55/05/53/804550553.db2.gz SWFCOBINNGCTQN-SWLSCSKDSA-N 1 0 296.842 3.405 20 10 CGCDRO CCO[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2Cl)C1 ZINC001140926747 804550926 /nfs/dbraw/zinc/55/09/26/804550926.db2.gz SYHPRGFYSPYXGN-CQSZACIVSA-N 1 0 282.815 3.017 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCC(=O)[C@H]3CCCC[C@H]32)c(O)c1 ZINC001140948690 804556045 /nfs/dbraw/zinc/55/60/45/804556045.db2.gz VSAHRZPKCDXNCT-LSDHHAIUSA-N 1 0 273.376 3.034 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCCC[C@](C)(F)C2)c(O)c1 ZINC001140947804 804556843 /nfs/dbraw/zinc/55/68/43/804556843.db2.gz GJCLITMOIBMGAM-HNNXBMFYSA-N 1 0 251.345 3.415 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCOC[C@@H]2C2CCCCC2)c(O)c1 ZINC001140954246 804558975 /nfs/dbraw/zinc/55/89/75/804558975.db2.gz NVNPFMXEFFTIBE-QGZVFWFLSA-N 1 0 289.419 3.482 20 10 CGCDRO C[C@@H]1CCC[N@@H+]1Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141074596 804585993 /nfs/dbraw/zinc/58/59/93/804585993.db2.gz NJBDGIHKJCWLNW-CQSZACIVSA-N 1 0 270.420 3.370 20 10 CGCDRO Oc1ccc(O)c(C[N@@H+]2CCC[C@@H]2c2cccs2)c1 ZINC001141158662 804600631 /nfs/dbraw/zinc/60/06/31/804600631.db2.gz ITAGFRVVXJDIGB-CYBMUJFWSA-N 1 0 275.373 3.496 20 10 CGCDRO COC(C)(C)[C@@H]1CCC[N@@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001142524863 804731845 /nfs/dbraw/zinc/73/18/45/804731845.db2.gz NPGWFCMZQUDYSX-AWEZNQCLSA-N 1 0 285.334 3.060 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccc3nccn3c2)cc1 ZINC001143034203 804799062 /nfs/dbraw/zinc/79/90/62/804799062.db2.gz ZPDRSQMGRABDTM-UHFFFAOYSA-N 1 0 294.402 3.032 20 10 CGCDRO CC(C)(C)c1cccc(C[N@@H+]2CCC[C@@H](O)CC2)c1O ZINC001143103784 804802585 /nfs/dbraw/zinc/80/25/85/804802585.db2.gz KEBJIWWVTZNVQA-CQSZACIVSA-N 1 0 277.408 3.037 20 10 CGCDRO CC(=O)[C@H]1CC[N@H+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143112018 804802828 /nfs/dbraw/zinc/80/28/28/804802828.db2.gz IYLMQVUWQLIASS-ZDUSSCGKSA-N 1 0 275.392 3.101 20 10 CGCDRO CC(C)(C)c1cccc(C[N@@H+]2CCOC[C@H]2C2CC2)c1O ZINC001143111988 804802885 /nfs/dbraw/zinc/80/28/85/804802885.db2.gz IPXBIPVHEOMFQQ-INIZCTEOSA-N 1 0 289.419 3.301 20 10 CGCDRO C[N@H+](Cc1ccncn1)Cc1cccc(C(C)(C)C)c1O ZINC001143116414 804803606 /nfs/dbraw/zinc/80/36/06/804803606.db2.gz ALFNXPVQOCLIKM-UHFFFAOYSA-N 1 0 285.391 3.112 20 10 CGCDRO CC(C)C[C@H](C)C[C@H](C)[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001258053125 807279663 /nfs/dbraw/zinc/27/96/63/807279663.db2.gz WIRIKEXAKLHONY-DCGLDWPTSA-N 1 0 295.423 3.182 20 10 CGCDRO C[C@H]1CC([NH2+]CCc2ccc(O)c(O)c2)C[C@H](C)C1 ZINC001258150481 807320160 /nfs/dbraw/zinc/32/01/60/807320160.db2.gz ADOZALXHOHUBIP-VXGBXAGGSA-N 1 0 263.381 3.055 20 10 CGCDRO C[C@H]1C[C@@H]([NH2+]CC(=O)c2ccc(O)c(O)c2)CC(C)(C)C1 ZINC001258688926 807544558 /nfs/dbraw/zinc/54/45/58/807544558.db2.gz ZSJYEQOFQVSAPD-WCQYABFASA-N 1 0 291.391 3.085 20 10 CGCDRO CCCC[C@H](CCC)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001258753674 807594897 /nfs/dbraw/zinc/59/48/97/807594897.db2.gz OMCZSQOEINTONI-XJKSGUPXSA-N 1 0 281.396 3.080 20 10 CGCDRO COc1ccccc1C[C@H](C)[N@@H+]1CCc2cccc(O)c2C1 ZINC001258894587 807667603 /nfs/dbraw/zinc/66/76/03/807667603.db2.gz DQAUDANLCQQDQM-AWEZNQCLSA-N 1 0 297.398 3.390 20 10 CGCDRO Oc1ccc(CNc2cc[nH+]cc2-c2ccccc2)cc1O ZINC001169995272 807736486 /nfs/dbraw/zinc/73/64/86/807736486.db2.gz WZUPKAJDCBQVLU-UHFFFAOYSA-N 1 0 292.338 3.194 20 10 CGCDRO CC[N@H+](Cc1ccc(N2CCCC2)cc1)[C@H]1CCCOC1 ZINC001261509198 807753451 /nfs/dbraw/zinc/75/34/51/807753451.db2.gz LZZBZALLGJBPTP-SFHVURJKSA-N 1 0 288.435 3.288 20 10 CGCDRO C[C@@H]1CC[C@H]([N@@H+]2CCCc3cc(O)c(O)cc3C2)C1 ZINC001170147618 807775154 /nfs/dbraw/zinc/77/51/54/807775154.db2.gz DFWOMHGQJISLMO-RISCZKNCSA-N 1 0 261.365 3.035 20 10 CGCDRO Cc1ncccc1C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001261829446 807790679 /nfs/dbraw/zinc/79/06/79/807790679.db2.gz QDWRKBXNFIHDBG-UHFFFAOYSA-N 1 0 281.403 3.280 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC001262207297 807837642 /nfs/dbraw/zinc/83/76/42/807837642.db2.gz YDQJFMPNGUUOTB-DGADGQDISA-N 1 0 299.414 3.430 20 10 CGCDRO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(N)cc1)CC2 ZINC001262488006 807868352 /nfs/dbraw/zinc/86/83/52/807868352.db2.gz MXZRQQIIWFDFGL-KRWDZBQOSA-N 1 0 252.361 3.354 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(Nc2nccnc2C[NH3+])cc1 ZINC001171448302 808060883 /nfs/dbraw/zinc/06/08/83/808060883.db2.gz YTSQFVATQLXKBJ-UHFFFAOYSA-N 1 0 293.374 3.086 20 10 CGCDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172240549 808207759 /nfs/dbraw/zinc/20/77/59/808207759.db2.gz MSUMXADKZLYIBN-YQQQUEKLSA-N 1 0 298.430 3.205 20 10 CGCDRO CC(C)OCC[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC001172443477 808318117 /nfs/dbraw/zinc/31/81/17/808318117.db2.gz PRKISCHJEBSGMX-CQSZACIVSA-N 1 0 264.413 3.046 20 10 CGCDRO CO[C@H]1CCC[C@H]([NH2+]Cc2c(C)cc(C)cc2O)C1 ZINC001172926102 808483831 /nfs/dbraw/zinc/48/38/31/808483831.db2.gz OEQPSTSGTBVXIP-KBPBESRZSA-N 1 0 263.381 3.056 20 10 CGCDRO CC[N@H+](Cc1ccccc1O)[C@H]1CCC[C@@H](OC)C1 ZINC001172946190 808493245 /nfs/dbraw/zinc/49/32/45/808493245.db2.gz SMOODFKUHVVXPN-LSDHHAIUSA-N 1 0 263.381 3.172 20 10 CGCDRO CCc1ccc(C[C@@H](C)[NH2+]CCc2ccc(O)c(O)c2)cc1 ZINC001173235963 808544836 /nfs/dbraw/zinc/54/48/36/808544836.db2.gz PSOJFZPCTPDZAD-CQSZACIVSA-N 1 0 299.414 3.424 20 10 CGCDRO CCCC[C@H](CC(C)C)[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001173245333 808553272 /nfs/dbraw/zinc/55/32/72/808553272.db2.gz DPHIYPCKAJIIEJ-PBHICJAKSA-N 1 0 295.423 3.326 20 10 CGCDRO O=C(c1ccccc1)c1ccccc1Nc1[nH]cc[nH+]1 ZINC001176082962 809618495 /nfs/dbraw/zinc/61/84/95/809618495.db2.gz PYOCPEYNEVEDBF-UHFFFAOYSA-N 1 0 263.300 3.384 20 10 CGCDRO CCCOc1ccc(C[NH2+]C[C@H]2CCCC[C@@H]2O)cc1C ZINC001178723598 809884565 /nfs/dbraw/zinc/88/45/65/809884565.db2.gz JUWVUKCQTZWVCZ-SJORKVTESA-N 1 0 291.435 3.425 20 10 CGCDRO CCCCN(C)C[C@H](C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001178841101 809890545 /nfs/dbraw/zinc/89/05/45/809890545.db2.gz YNIKGKVOEUDEJH-HNNXBMFYSA-N 1 0 290.451 3.222 20 10 CGCDRO CC[C@H]1CCC[N@H+](Cc2ccc(OC)c(OC)c2O)CC1 ZINC001179935976 809960808 /nfs/dbraw/zinc/96/08/08/809960808.db2.gz FRRIAICIOTXDHS-ZDUSSCGKSA-N 1 0 293.407 3.422 20 10 CGCDRO C[N@H+](Cc1cc2cnccc2o1)Cc1ccccc1O ZINC001180240520 809985434 /nfs/dbraw/zinc/98/54/34/809985434.db2.gz ZOAFNEPCWCUHQV-UHFFFAOYSA-N 1 0 268.316 3.165 20 10 CGCDRO C[C@H](C[NH2+]Cc1ccc(Cl)cc1O)c1ccccn1 ZINC001182845426 810127803 /nfs/dbraw/zinc/12/78/03/810127803.db2.gz SKPBXBYEXJIYJO-LLVKDONJSA-N 1 0 276.767 3.334 20 10 CGCDRO C(=C\c1ccccc1)\C[NH2+]Cc1ccc2c(c1)CCO2 ZINC001199934518 811616305 /nfs/dbraw/zinc/61/63/05/811616305.db2.gz ZFEGXQJDVDPMJS-DAXSKMNVSA-N 1 0 265.356 3.425 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CC[C@H]2CCCS2)cc1F ZINC001203276191 812288457 /nfs/dbraw/zinc/28/84/57/812288457.db2.gz JQUFOOFFQNZXLJ-CYBMUJFWSA-N 1 0 282.428 3.267 20 10 CGCDRO Cc1ccc([C@H]2CCC[N@@H+]2Cc2ccccc2O)cn1 ZINC001203558712 812392862 /nfs/dbraw/zinc/39/28/62/812392862.db2.gz XLVIBEREDJPAOV-MRXNPFEDSA-N 1 0 268.360 3.433 20 10 CGCDRO Cc1cccc(O[C@H]2CCC[N@H+](Cc3ccccc3O)C2)n1 ZINC001203562011 812394801 /nfs/dbraw/zinc/39/48/01/812394801.db2.gz AUXMWYGNRSBKLP-INIZCTEOSA-N 1 0 298.386 3.139 20 10 CGCDRO COc1cccc(C[N@@H+]2CC[C@H](C)C(F)(F)CC2)c1O ZINC001203585635 812400408 /nfs/dbraw/zinc/40/04/08/812400408.db2.gz RDGVKUQYPDUOJK-NSHDSACASA-N 1 0 285.334 3.268 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CC[C@H]3CCC[C@H]3C2)c1O ZINC001203603954 812405256 /nfs/dbraw/zinc/40/52/56/812405256.db2.gz XUPQGHNVTOGWHN-KGLIPLIRSA-N 1 0 275.392 3.413 20 10 CGCDRO CO[C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(Cl)ccc3O)C[C@@H]21 ZINC001203658415 812419373 /nfs/dbraw/zinc/41/93/73/812419373.db2.gz LMFRDRLAZBNDAW-DIOULYMOSA-N 1 0 295.810 3.293 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH+]1CC2(C1)C[C@H](F)CS2 ZINC001203664181 812422005 /nfs/dbraw/zinc/42/20/05/812422005.db2.gz PXYNIRVZHYDCMN-NSHDSACASA-N 1 0 287.787 3.075 20 10 CGCDRO CCc1ccc(C[N@H+](C)Cc2ccc(O)c(O)c2)cc1 ZINC001203878555 812478940 /nfs/dbraw/zinc/47/89/40/812478940.db2.gz CCZZHJXZEYCLLK-UHFFFAOYSA-N 1 0 271.360 3.292 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCc3cccnc3C2)cc1 ZINC001203943392 812498619 /nfs/dbraw/zinc/49/86/19/812498619.db2.gz YXWXLFGBKJIVSQ-UHFFFAOYSA-N 1 0 295.430 3.486 20 10 CGCDRO C[N@H+](CCc1ccccc1Cl)Cc1ccc(O)cc1O ZINC001204278770 812594562 /nfs/dbraw/zinc/59/45/62/812594562.db2.gz JTBLDHDRUHRJHY-UHFFFAOYSA-N 1 0 291.778 3.426 20 10 CGCDRO C[N@H+](Cc1ccc(O)cc1O)Cc1ccccc1Cl ZINC001204275044 812595079 /nfs/dbraw/zinc/59/50/79/812595079.db2.gz MHOJPIKMMFRPER-UHFFFAOYSA-N 1 0 277.751 3.383 20 10 CGCDRO C[N@@H+](Cc1ccc(N2CCCC2)cc1)C[C@@H]1CCCCO1 ZINC001204326947 812614630 /nfs/dbraw/zinc/61/46/30/812614630.db2.gz JOTSZRAVAFBVRP-SFHVURJKSA-N 1 0 288.435 3.288 20 10 CGCDRO CCCC[N@H+](CCC)Cc1cc(O)c(O)c(OC)c1 ZINC001204343103 812616047 /nfs/dbraw/zinc/61/60/47/812616047.db2.gz PFXRNCHAXUOVMG-UHFFFAOYSA-N 1 0 267.369 3.119 20 10 CGCDRO Cc1cc(CN2CC[NH2+]CC[C@@H]2C)c(C)n1-c1ccccc1 ZINC001205324791 812954250 /nfs/dbraw/zinc/95/42/50/812954250.db2.gz GSVLQUDBMOXVTA-HNNXBMFYSA-N 1 0 297.446 3.278 20 10 CGCDRO Cc1ccc(F)c(C[N@@H+]2CCc3cccc(O)c3C2)c1 ZINC001205655717 813043782 /nfs/dbraw/zinc/04/37/82/813043782.db2.gz YNUQYWLOAWQCCT-UHFFFAOYSA-N 1 0 271.335 3.398 20 10 CGCDRO CCCN(C[C@H](OC)[C@@H](C)CC)c1ccc(C[NH3+])cc1 ZINC001205657016 813043931 /nfs/dbraw/zinc/04/39/31/813043931.db2.gz WUEKWBNPGQYJPC-YOEHRIQHSA-N 1 0 278.440 3.423 20 10 CGCDRO CC[C@H]1CCC[C@@H]1C[NH2+]Cc1cc(OC)ccc1O ZINC001205860231 813111147 /nfs/dbraw/zinc/11/11/47/813111147.db2.gz MPBRDPZYJHGIFK-QWHCGFSZSA-N 1 0 263.381 3.317 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H]2COc3c(C)cccc3C2)c(O)c1 ZINC001206120652 813206621 /nfs/dbraw/zinc/20/66/21/813206621.db2.gz AQORFYVGIBFYCD-INIZCTEOSA-N 1 0 283.371 3.102 20 10 CGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CCCCC[C@@H]2CO)c1 ZINC001206514215 813339731 /nfs/dbraw/zinc/33/97/31/813339731.db2.gz NMAOEFBNBDTUHS-MRXNPFEDSA-N 1 0 277.408 3.253 20 10 CGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cc(C)ccn1 ZINC001206854455 813453787 /nfs/dbraw/zinc/45/37/87/813453787.db2.gz ZPHUYSKBOFBTFD-UHFFFAOYSA-N 1 0 283.419 3.478 20 10 CGCDRO CN(C)c1ccc(CN(C)Cc2ncc3ccccn32)cc1 ZINC001207054224 813475162 /nfs/dbraw/zinc/47/51/62/813475162.db2.gz IAJIGSDUNGHRQJ-UHFFFAOYSA-N 1 0 294.402 3.032 20 10 CGCDRO COc1cc(C)c(C[NH+]2CCC(CCF)CC2)c(O)c1 ZINC001207076425 813478523 /nfs/dbraw/zinc/47/85/23/813478523.db2.gz QUWXSVJVMNGITH-UHFFFAOYSA-N 1 0 281.371 3.281 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2C[C@@H](C)C[C@H]2CO)cc1 ZINC001209516205 814071381 /nfs/dbraw/zinc/07/13/81/814071381.db2.gz CPQZFDZFONAEJW-LIRRHRJNSA-N 1 0 298.430 3.297 20 10 CGCDRO C[C@H]1CC[C@H](Oc2ccc(N3CC[NH2+]CC3)cc2)CC1 ZINC001218292951 816154900 /nfs/dbraw/zinc/15/49/00/816154900.db2.gz ARNOYUHDFNFVEA-KOMQPUFPSA-N 1 0 274.408 3.054 20 10 CGCDRO Cc1cc(O)c(CN2CC[C@@]3(C2)CCCC[NH2+]3)cc1Cl ZINC001222434099 816443514 /nfs/dbraw/zinc/44/35/14/816443514.db2.gz CDCGWGVVAUSZNS-MRXNPFEDSA-N 1 0 294.826 3.072 20 10 CGCDRO CC(C)(C)c1cccc(CN2CC[C@]3(CCC[NH2+]3)C2)c1O ZINC001222471804 816452291 /nfs/dbraw/zinc/45/22/91/816452291.db2.gz YNALWPNBBAHYTC-GOSISDBHSA-N 1 0 288.435 3.018 20 10 CGCDRO COC(=O)[C@@H]1CCCC[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC001231587321 818129381 /nfs/dbraw/zinc/12/93/81/818129381.db2.gz VLXMJXSBIFEBIU-INIZCTEOSA-N 1 0 299.370 3.073 20 10 CGCDRO C[C@H]1C[N@H+](Cc2c(O)ccc3ccccc32)CC[C@]1(C)O ZINC001231586702 818130158 /nfs/dbraw/zinc/13/01/58/818130158.db2.gz LACNTBVLZSMNJU-UGSOOPFHSA-N 1 0 285.387 3.138 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2c(O)ccc3ccccc32)CC[C@]1(C)O ZINC001231586697 818130234 /nfs/dbraw/zinc/13/02/34/818130234.db2.gz LACNTBVLZSMNJU-ACJLOTCBSA-N 1 0 285.387 3.138 20 10 CGCDRO Oc1ccc2ccccc2c1C[NH+]1CC(N2CCCCC2)C1 ZINC001231590505 818131829 /nfs/dbraw/zinc/13/18/29/818131829.db2.gz FIMWEVLPJVCLHE-UHFFFAOYSA-N 1 0 296.414 3.216 20 10 CGCDRO Cc1cc(C)c(C[N@@H+]2C[C@@H](C)C[C@H]2CF)c(O)c1 ZINC001231843004 818185950 /nfs/dbraw/zinc/18/59/50/818185950.db2.gz RSNUKRVSRQWPQX-AAEUAGOBSA-N 1 0 251.345 3.189 20 10 CGCDRO Cc1cc(C)c(C[N@@H+](C)C2CC(F)(F)C2)c(O)c1 ZINC001231842470 818186408 /nfs/dbraw/zinc/18/64/08/818186408.db2.gz NCAPTYWEWLSOFQ-UHFFFAOYSA-N 1 0 255.308 3.239 20 10 CGCDRO COc1cc(N(C)C)ccc1C[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC001231849010 818187051 /nfs/dbraw/zinc/18/70/51/818187051.db2.gz MNCHZRJARCFVIM-HUUCEWRRSA-N 1 0 288.435 3.383 20 10 CGCDRO Cc1cc(C)c(C[N@@H+]2CCC[C@@H]2c2cnccn2)c(O)c1 ZINC001231846723 818187254 /nfs/dbraw/zinc/18/72/54/818187254.db2.gz OFJANPBCHOOLTC-MRXNPFEDSA-N 1 0 283.375 3.136 20 10 CGCDRO Cc1cc(C)c(C[N@@H+]2CC[C@@H](c3ccccn3)C2)c(O)c1 ZINC001231845722 818187322 /nfs/dbraw/zinc/18/73/22/818187322.db2.gz REFOBWOCTBKCEW-OAHLLOKOSA-N 1 0 282.387 3.394 20 10 CGCDRO CCOCC1CC[NH+](Cc2c(C)cc(C)cc2O)CC1 ZINC001231848771 818187847 /nfs/dbraw/zinc/18/78/47/818187847.db2.gz LTWZWXPQOUFWNI-UHFFFAOYSA-N 1 0 277.408 3.258 20 10 CGCDRO Oc1c(C[N@@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)ccc2ccccc21 ZINC001231879868 818198961 /nfs/dbraw/zinc/19/89/61/818198961.db2.gz SYQKWPOLFBWQLX-BPUTZDHNSA-N 1 0 271.335 3.335 20 10 CGCDRO C[C@H]1C[N@H+](Cc2ccc3ccccc3c2O)CCC[C@@H]1O ZINC001231879468 818199757 /nfs/dbraw/zinc/19/97/57/818199757.db2.gz DFOBDEGHGVBPCJ-GUYCJALGSA-N 1 0 285.387 3.138 20 10 CGCDRO Oc1c(C[NH+]2CC3(CSC3)C2)ccc2ccccc21 ZINC001231882316 818201265 /nfs/dbraw/zinc/20/12/65/818201265.db2.gz GOUGJUHRCXQQMA-UHFFFAOYSA-N 1 0 271.385 3.094 20 10 CGCDRO O=C1CCC[C@H]2C[N@@H+](Cc3ccc4ccccc4c3O)C[C@H]12 ZINC001231883180 818201666 /nfs/dbraw/zinc/20/16/66/818201666.db2.gz HAUPDBDYVGRNKC-YOEHRIQHSA-N 1 0 295.382 3.346 20 10 CGCDRO CN1CCC[C@@H]2C[N@H+](Cc3ccc4ccccc4c3O)C[C@H]21 ZINC001231883553 818201769 /nfs/dbraw/zinc/20/17/69/818201769.db2.gz OXLSRUDHLFYCNR-CRAIPNDOSA-N 1 0 296.414 3.071 20 10 CGCDRO Oc1c(C[N@@H+]2CCc3ncccc3C2)ccc2ccccc21 ZINC001231883084 818202705 /nfs/dbraw/zinc/20/27/05/818202705.db2.gz XPOCOGPXZJFWDS-UHFFFAOYSA-N 1 0 290.366 3.499 20 10 CGCDRO COCC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)c(O)cc1O ZINC001232261390 818295608 /nfs/dbraw/zinc/29/56/08/818295608.db2.gz GFKFWYYXKCYYRC-GFCCVEGCSA-N 1 0 299.798 3.142 20 10 CGCDRO C[N@@H+](Cc1cc(Cl)c(O)cc1O)CC1CCCC1 ZINC001232262802 818297710 /nfs/dbraw/zinc/29/77/10/818297710.db2.gz QNYIXXXWEZMKKT-UHFFFAOYSA-N 1 0 269.772 3.373 20 10 CGCDRO CC[C@@H]1CCC[N@@H+]1Cc1cc(Cl)c(OC)cc1O ZINC001232265087 818298313 /nfs/dbraw/zinc/29/83/13/818298313.db2.gz QEIZIZMHBITUNE-LLVKDONJSA-N 1 0 269.772 3.429 20 10 CGCDRO Oc1cc(O)c(C[NH+]2CCC(C(F)F)CC2)cc1Cl ZINC001232262770 818298672 /nfs/dbraw/zinc/29/86/72/818298672.db2.gz PELVDOMIFIRWBJ-UHFFFAOYSA-N 1 0 291.725 3.228 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@@](C)(F)C2)c(O)c1 ZINC001232835396 818452492 /nfs/dbraw/zinc/45/24/92/818452492.db2.gz BOWBAYXZVHNUTR-MRXNPFEDSA-N 1 0 280.387 3.172 20 10 CGCDRO C[N@H+](Cc1ccccn1)Cc1ccc(C(F)(F)F)cc1O ZINC001233451337 818623559 /nfs/dbraw/zinc/62/35/59/818623559.db2.gz GZWYIUVLPCZVEY-UHFFFAOYSA-N 1 0 296.292 3.438 20 10 CGCDRO C[N@H+](Cc1ccc(C(F)(F)F)cc1O)C1CCOCC1 ZINC001233451284 818623796 /nfs/dbraw/zinc/62/37/96/818623796.db2.gz FGUXLKCMTUKXNY-UHFFFAOYSA-N 1 0 289.297 3.022 20 10 CGCDRO Cc1ccccc1[C@H]1CCC[N@@H+]1Cc1cc(O)c(O)cc1O ZINC001233483491 818625393 /nfs/dbraw/zinc/62/53/93/818625393.db2.gz AUYLUIMTPWKTTH-OAHLLOKOSA-N 1 0 299.370 3.449 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2cccc(-c3ccccc3)c2O)C[C@@H]1O ZINC001235000914 818974689 /nfs/dbraw/zinc/97/46/89/818974689.db2.gz KXUILUPNMLIIHF-KDOFPFPSSA-N 1 0 297.398 3.262 20 10 CGCDRO Cc1cc(CN2C[C@H]3CC[C@@H](C2)[NH2+]3)c(C)n1-c1ccccc1 ZINC001235387448 819082330 /nfs/dbraw/zinc/08/23/30/819082330.db2.gz WLQIAXHDZNCHCW-HDICACEKSA-N 1 0 295.430 3.030 20 10 CGCDRO CC(=O)C1CC[NH+](Cc2ccc(C(C)(C)C)cc2O)CC1 ZINC001235683538 819141545 /nfs/dbraw/zinc/14/15/45/819141545.db2.gz GYBHGHOVWLUSDF-UHFFFAOYSA-N 1 0 289.419 3.491 20 10 CGCDRO CN(C)C[C@@H]1CCC[N@@H+]1Cc1ccc(C(C)(C)C)cc1O ZINC001235686018 819142655 /nfs/dbraw/zinc/14/26/55/819142655.db2.gz WOCVMXSGXMHMIJ-INIZCTEOSA-N 1 0 290.451 3.216 20 10 CGCDRO CC[NH2+]C1CCN(Cc2cccc(C(C)(C)C)c2O)CC1 ZINC001235726964 819154465 /nfs/dbraw/zinc/15/44/65/819154465.db2.gz SSWGAZALFDWSHB-UHFFFAOYSA-N 1 0 290.451 3.264 20 10 CGCDRO CC[C@@H]1C[NH2+]CCN1Cc1ccc(N(C)C)c2ccccc12 ZINC001235768639 819163896 /nfs/dbraw/zinc/16/38/96/819163896.db2.gz ITGFWKLQDSPMPN-MRXNPFEDSA-N 1 0 297.446 3.090 20 10 CGCDRO Cc1ccc(N2CC[NH+](Cc3ccc(N)cc3)CC2)c(C)c1 ZINC001235947149 819236275 /nfs/dbraw/zinc/23/62/75/819236275.db2.gz IMCIYXDHHOVPOB-UHFFFAOYSA-N 1 0 295.430 3.208 20 10 CGCDRO C[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(N)cc1 ZINC001236072360 819300807 /nfs/dbraw/zinc/30/08/07/819300807.db2.gz SNDMSQCRZFZAPX-CYBMUJFWSA-N 1 0 252.361 3.216 20 10 CGCDRO CCC[C@@H]1C[NH2+]CCN1Cc1cccc(C(C)(C)C)c1O ZINC001236132497 819335285 /nfs/dbraw/zinc/33/52/85/819335285.db2.gz KKPBNIOAVFIMPE-OAHLLOKOSA-N 1 0 290.451 3.264 20 10 CGCDRO CCN(CC)c1ccc(CN(C)[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC001236210474 819371825 /nfs/dbraw/zinc/37/18/25/819371825.db2.gz COSCRFBILVXSII-MSOLQXFVSA-N 1 0 289.467 3.235 20 10 CGCDRO Cc1cc(Cl)cc(CN(C2CC2)[C@H]2CCC[NH2+]C2)c1O ZINC001236242057 819400848 /nfs/dbraw/zinc/40/08/48/819400848.db2.gz UZYYYAZJEOMTDE-HNNXBMFYSA-N 1 0 294.826 3.070 20 10 CGCDRO C[C@@H]1[C@@H]([NH3+])CCCN1Cc1cc(C(C)(C)C)ccc1O ZINC001236415961 819462416 /nfs/dbraw/zinc/46/24/16/819462416.db2.gz BACHBKXXMRDGKV-DOMZBBRYSA-N 1 0 276.424 3.001 20 10 CGCDRO C[C@@H]1[C@@H]([NH3+])CCCN1Cc1cccc(C(C)(C)C)c1O ZINC001236420767 819466632 /nfs/dbraw/zinc/46/66/32/819466632.db2.gz NOZLDOPNXTXKGQ-DOMZBBRYSA-N 1 0 276.424 3.001 20 10 CGCDRO C[C@H]1[C@@H]([NH3+])CCCN1Cc1cccc(C(C)(C)C)c1O ZINC001236420770 819467075 /nfs/dbraw/zinc/46/70/75/819467075.db2.gz NOZLDOPNXTXKGQ-WFASDCNBSA-N 1 0 276.424 3.001 20 10 CGCDRO [O-]c1c(F)cccc1C[N@H+]([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236653212 819563177 /nfs/dbraw/zinc/56/31/77/819563177.db2.gz PIAWVYJYFCRFLH-OAHLLOKOSA-N 1 0 292.398 3.028 20 10 CGCDRO CCc1ccc(C[N@@H+]2CCCC[C@H]2CCOC)c(O)c1 ZINC001236790917 819594630 /nfs/dbraw/zinc/59/46/30/819594630.db2.gz YSKCQHZODSRCPN-INIZCTEOSA-N 1 0 277.408 3.346 20 10 CGCDRO CCc1ccc(C[N@@H+]2CCC[C@H]2c2ncccn2)c(O)c1 ZINC001236787879 819595935 /nfs/dbraw/zinc/59/59/35/819595935.db2.gz LUHCSXCXEBJHQT-HNNXBMFYSA-N 1 0 283.375 3.082 20 10 CGCDRO CCc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C2)c(O)c1 ZINC001236794424 819597901 /nfs/dbraw/zinc/59/79/01/819597901.db2.gz MLBAALMZIXQLAK-GFCCVEGCSA-N 1 0 273.298 3.339 20 10 CGCDRO CCc1ccc(C[N@@H+]2CC[C@H](N3CCCCC3)C2)c(O)c1 ZINC001236795280 819598415 /nfs/dbraw/zinc/59/84/15/819598415.db2.gz SYTWYGKGRAZCNE-KRWDZBQOSA-N 1 0 288.435 3.015 20 10 CGCDRO COc1cc(O)c(C[N@H+](C)C2CC(C)C2)c(Cl)c1 ZINC001236798468 819600109 /nfs/dbraw/zinc/60/01/09/819600109.db2.gz OOOAWXRRLRRPMV-UHFFFAOYSA-N 1 0 269.772 3.285 20 10 CGCDRO CC[C@H]1CCC[N@@H+]1Cc1c(O)cc(OC)cc1Cl ZINC001236798945 819600552 /nfs/dbraw/zinc/60/05/52/819600552.db2.gz JZULLKVDODOKCL-JTQLQIEISA-N 1 0 269.772 3.429 20 10 CGCDRO COc1cc(O)c(C[NH+]2C[C@@H]3CCC[C@H]3C2)c(Cl)c1 ZINC001236799704 819600619 /nfs/dbraw/zinc/60/06/19/819600619.db2.gz WNAJPNSLJNMIFR-QWRGUYRKSA-N 1 0 281.783 3.286 20 10 CGCDRO COc1cc(C)c(C[NH+]2[C@H](C)CCC[C@H]2C)c(O)c1 ZINC001236818635 819606162 /nfs/dbraw/zinc/60/61/62/819606162.db2.gz PUHXAIAJOCOKHM-CHWSQXEVSA-N 1 0 263.381 3.472 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2cc3ccccc3cc2O)C[C@@H]1F ZINC001236825648 819607757 /nfs/dbraw/zinc/60/77/57/819607757.db2.gz AVQZIZFUOUMHEO-ABAIWWIYSA-N 1 0 259.324 3.335 20 10 CGCDRO CO[C@H]1CCC[N@H+](Cc2ccc(C(C)C)cc2O)C1 ZINC001237046160 819651210 /nfs/dbraw/zinc/65/12/10/819651210.db2.gz QVZVXCRNGDJLGY-HNNXBMFYSA-N 1 0 263.381 3.126 20 10 CGCDRO CC(C)c1ccc(CN2CCC[N@@H+]3CCC[C@H]3C2)c(O)c1 ZINC001237049010 819651891 /nfs/dbraw/zinc/65/18/91/819651891.db2.gz KPBWKSJVAGWYHI-KRWDZBQOSA-N 1 0 288.435 3.186 20 10 CGCDRO COC(=O)CC[N@H+](Cc1ccc(C(C)C)cc1O)C1CC1 ZINC001237055787 819655600 /nfs/dbraw/zinc/65/56/00/819655600.db2.gz PKTDDLSCMGASCV-UHFFFAOYSA-N 1 0 291.391 3.043 20 10 CGCDRO COCC[C@H]1CCCC[N@@H+]1Cc1c(C)cccc1O ZINC001237489671 819763511 /nfs/dbraw/zinc/76/35/11/819763511.db2.gz JPLLFWTZZPILPW-CQSZACIVSA-N 1 0 263.381 3.092 20 10 CGCDRO CC[C@H]1CCC[N@H+](Cc2cc(OC)cc(OC)c2O)C1 ZINC001237677596 819803123 /nfs/dbraw/zinc/80/31/23/819803123.db2.gz FJZCMXZLGMMCLK-LBPRGKRZSA-N 1 0 279.380 3.031 20 10 CGCDRO Cc1cc(O)c(C[NH+]2CC3CC(C3)C2)cc1Br ZINC001237684357 819805367 /nfs/dbraw/zinc/80/53/67/819805367.db2.gz JCFSXHPGHFSVSE-UHFFFAOYSA-N 1 0 296.208 3.305 20 10 CGCDRO Cc1cc(Cl)cc(C[N@H+]2C[C@@H](C)[C@@H](F)C2)c1O ZINC001237680559 819805770 /nfs/dbraw/zinc/80/57/70/819805770.db2.gz DJEGKFRPBPGOGX-SKDRFNHKSA-N 1 0 257.736 3.144 20 10 CGCDRO Cc1cc(Cl)cc(CN2CCCCC23COC3)c1O ZINC001237685290 819807170 /nfs/dbraw/zinc/80/71/70/819807170.db2.gz BTLIUXRVINZNIW-UHFFFAOYSA-N 1 0 281.783 3.109 20 10 CGCDRO Cc1cc(Cl)cc(CN2CC[C@H]([N@H+](C)C3CC3)C2)c1O ZINC001237690409 819808408 /nfs/dbraw/zinc/80/84/08/819808408.db2.gz XHLJOAGCZIHYBQ-HNNXBMFYSA-N 1 0 294.826 3.023 20 10 CGCDRO C[N@@H+](Cc1cc(F)cc(Cl)c1[O-])C[C@H]1CCCCO1 ZINC001237798434 819844043 /nfs/dbraw/zinc/84/40/43/819844043.db2.gz FKQXBUWGQHFODX-GFCCVEGCSA-N 1 0 287.762 3.186 20 10 CGCDRO Cc1cc(F)cc(C[N@@H+]2CC[C@@H](c3ccccn3)C2)c1O ZINC001238063531 819920907 /nfs/dbraw/zinc/92/09/07/819920907.db2.gz YBVIPBZAUCSVNF-CYBMUJFWSA-N 1 0 286.350 3.224 20 10 CGCDRO Cc1cc(F)cc(C[N@H+](C)Cc2ccccc2)c1O ZINC001238059006 819921088 /nfs/dbraw/zinc/92/10/88/819921088.db2.gz XIAACICQVDFZSA-UHFFFAOYSA-N 1 0 259.324 3.472 20 10 CGCDRO Cc1cc(F)cc(C[N@@H+](C)C2CC(F)(F)C2)c1O ZINC001238059019 819921233 /nfs/dbraw/zinc/92/12/33/819921233.db2.gz XYUNRHDJLAVNDV-UHFFFAOYSA-N 1 0 259.271 3.069 20 10 CGCDRO Cc1cnc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)c(C)c1 ZINC001238435200 819998431 /nfs/dbraw/zinc/99/84/31/819998431.db2.gz KKSRCVIIGWFSPZ-UHFFFAOYSA-N 1 0 283.419 3.396 20 10 CGCDRO c1cc(N2CCSCC2)ccc1C1=CCC[NH2+]CC1 ZINC001238949939 820164865 /nfs/dbraw/zinc/16/48/65/820164865.db2.gz KXWXMAQFBGCRRU-UHFFFAOYSA-N 1 0 274.433 3.007 20 10 CGCDRO CCOc1ccc(-c2[nH+]ccc3c2ccn3C)cn1 ZINC001241701105 822082188 /nfs/dbraw/zinc/08/21/88/822082188.db2.gz HXVHSDGIYMHLQN-UHFFFAOYSA-N 1 0 253.305 3.034 20 10 CGCDRO CC1(C)CC[C@H](C[NH2+]Cc2ccc(N3CCCC3)cc2)O1 ZINC001338422449 936322863 /nfs/dbraw/zinc/32/28/63/936322863.db2.gz OCOVVARTKUJDBQ-QGZVFWFLSA-N 1 0 288.435 3.334 20 10 CGCDRO COC1CC(CC[NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC001350135287 936980315 /nfs/dbraw/zinc/98/03/15/936980315.db2.gz GSCPCMAROQVWNH-UHFFFAOYSA-N 1 0 288.435 3.192 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@@H]2CCO[C@H](C(C)C)C2)c1O ZINC001350316662 936987423 /nfs/dbraw/zinc/98/74/23/936987423.db2.gz NBCZBDLTLPYPIQ-CABCVRRESA-N 1 0 293.407 3.002 20 10 CGCDRO CCOC(CC[NH2+]Cc1cc(C(C)C)ccc1O)OCC ZINC001474450957 937205511 /nfs/dbraw/zinc/20/55/11/937205511.db2.gz AQZHZUDHCHWEPU-UHFFFAOYSA-N 1 0 295.423 3.394 20 10 CGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]CCc1ccccn1 ZINC000019916846 928046653 /nfs/dbraw/zinc/04/66/53/928046653.db2.gz GDOPFWGEONWLCM-DZGCQCFKSA-N 1 0 282.387 3.476 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccccc2O)CN1Cc1ccccc1 ZINC000151319781 928242867 /nfs/dbraw/zinc/24/28/67/928242867.db2.gz JXZRLJREXJRXFW-QAPCUYQASA-N 1 0 296.414 3.145 20 10 CGCDRO Cc1cc(O)c(C[NH+]2C[C@H](C)[C@@H](C)C2)c(Cl)c1 ZINC001560687315 937234658 /nfs/dbraw/zinc/23/46/58/937234658.db2.gz JWXYEKQUWOAPCZ-QWRGUYRKSA-N 1 0 253.773 3.442 20 10 CGCDRO CN(C)c1cc(F)c(C[NH2+]CC2(C3CC3)CC2)cc1F ZINC001461374833 928753578 /nfs/dbraw/zinc/75/35/78/928753578.db2.gz RVDAFICWZDVYFF-UHFFFAOYSA-N 1 0 280.362 3.311 20 10 CGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H]1CCN(C(C)(C)C)C1 ZINC001461637404 937590145 /nfs/dbraw/zinc/59/01/45/937590145.db2.gz ZJFLHYDGXXVICO-HNNXBMFYSA-N 1 0 299.462 3.449 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2CC[C@H](C)O2)cc1F ZINC001461546637 937585523 /nfs/dbraw/zinc/58/55/23/937585523.db2.gz AFTZOGRGADGUNF-ZFWWWQNUSA-N 1 0 294.414 3.329 20 10 CGCDRO CC[C@H](C)[NH+]1CCN(Cc2cc(Cl)c(C)cc2O)CC1 ZINC001462245826 937627320 /nfs/dbraw/zinc/62/73/20/937627320.db2.gz FIZPPWRNZLCCHI-ZDUSSCGKSA-N 1 0 296.842 3.270 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+][C@H]3CCCC[C@H]3C)C2)cc1 ZINC001462420004 937639958 /nfs/dbraw/zinc/63/99/58/937639958.db2.gz IKWXCGLGCGUOFM-VKJFTORMSA-N 1 0 288.435 3.442 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CC3(CCC3)CO2)cc1Cl ZINC001462587322 937651941 /nfs/dbraw/zinc/65/19/41/937651941.db2.gz FZKYHNSTWBGXQF-ZDUSSCGKSA-N 1 0 295.810 3.403 20 10 CGCDRO CC(C)C[C@H](C[NH2+]Cc1ccc2c(c1)CCCO2)N(C)C ZINC001308193352 933068929 /nfs/dbraw/zinc/06/89/29/933068929.db2.gz VNWCUQMVVRCMTG-QGZVFWFLSA-N 1 0 290.451 3.078 20 10 CGCDRO CCCOc1ccc(C[NH2+]CCCOCC)cc1C ZINC001308187610 933069035 /nfs/dbraw/zinc/06/90/35/933069035.db2.gz VKUGCTZNXHKCTL-UHFFFAOYSA-N 1 0 265.397 3.300 20 10 CGCDRO C[C@H](CN1CCC[C@H](C)C1)[NH2+]Cc1c(O)cccc1Cl ZINC001308221554 933075051 /nfs/dbraw/zinc/07/50/51/933075051.db2.gz CLDPEDDLFPLUJW-QWHCGFSZSA-N 1 0 296.842 3.256 20 10 CGCDRO CC[C@H](C)[N@H+](C)CCNCc1c(O)cc(C)cc1Cl ZINC001308240388 933078621 /nfs/dbraw/zinc/07/86/21/933078621.db2.gz PWNHQPSPNNLYTO-LBPRGKRZSA-N 1 0 284.831 3.174 20 10 CGCDRO CCCOc1ccc(C[NH2+]C[C@H]2CCC[C@H](O)C2)cc1C ZINC001308281312 933087186 /nfs/dbraw/zinc/08/71/86/933087186.db2.gz AKQJADRKQFDMBO-RDJZCZTQSA-N 1 0 291.435 3.425 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCCOCC2)cc1F ZINC001308348723 933098678 /nfs/dbraw/zinc/09/86/78/933098678.db2.gz XQLCZYXYJMYWFP-HNNXBMFYSA-N 1 0 294.414 3.331 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1OCc2ccccc21 ZINC001462668572 937658515 /nfs/dbraw/zinc/65/85/15/937658515.db2.gz ZCCDWAHYAVMOTI-IBGZPJMESA-N 1 0 296.414 3.422 20 10 CGCDRO O[C@H](CC[NH2+]Cc1ccc2c(c1)CCCO2)C1CCCC1 ZINC001308496228 933119565 /nfs/dbraw/zinc/11/95/65/933119565.db2.gz SBZSZHWLVSDAQQ-QGZVFWFLSA-N 1 0 289.419 3.042 20 10 CGCDRO C[C@@H]1CCSCC[N@@H+]1Cc1ccc(Cl)cc1O ZINC001308689651 933158610 /nfs/dbraw/zinc/15/86/10/933158610.db2.gz VRIAZCYYKYRFAJ-SNVBAGLBSA-N 1 0 271.813 3.373 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1N(C)C)c1cc(F)ccc1O ZINC001323831254 934430042 /nfs/dbraw/zinc/43/00/42/934430042.db2.gz KPAMWDNWVWNWRD-NILFDRSVSA-N 1 0 280.387 3.055 20 10 CGCDRO C[N@H+](CCCn1ccnc1)Cc1ccc(N2CCCC2)cc1 ZINC001324019770 934449776 /nfs/dbraw/zinc/44/97/76/934449776.db2.gz RTOOZJXLVGHYEA-UHFFFAOYSA-N 1 0 298.434 3.005 20 10 CGCDRO C[C@H]1CCC[C@H](C[NH2+]Cc2ccc(N3CCCC3)cc2)O1 ZINC001327254342 935048353 /nfs/dbraw/zinc/04/83/53/935048353.db2.gz LGPRVFSVWXGBFY-MAUKXSAKSA-N 1 0 288.435 3.334 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CC[C@@H](C)O2)cc1Cl ZINC001327823744 935087059 /nfs/dbraw/zinc/08/70/59/935087059.db2.gz IZUZZWVCDQJOIF-ZYHUDNBSSA-N 1 0 269.772 3.011 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](CCO)CC2)cc1Cl ZINC001328209600 935124692 /nfs/dbraw/zinc/12/46/92/935124692.db2.gz NVJOPERYWRBLAF-CYBMUJFWSA-N 1 0 297.826 3.339 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+]C/C=C/C2CC2)cc1 ZINC001330721769 935316791 /nfs/dbraw/zinc/31/67/91/935316791.db2.gz RBRZYIYLXWWCPO-UZNMPDEFSA-N 1 0 256.393 3.322 20 10 CGCDRO C[C@H](CC(F)(F)F)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001331520622 935388094 /nfs/dbraw/zinc/38/80/94/935388094.db2.gz REDMUMKWYLGJJH-MRVPVSSYSA-N 1 0 296.283 3.461 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](CF)C2)cc1C ZINC001333310777 935524571 /nfs/dbraw/zinc/52/45/71/935524571.db2.gz RJMWFRRKYAPVHN-CYBMUJFWSA-N 1 0 251.345 3.191 20 10 CGCDRO CO[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001334327503 936097123 /nfs/dbraw/zinc/09/71/23/936097123.db2.gz RTMJPCRLVCFAPA-QAPCUYQASA-N 1 0 288.435 3.286 20 10 CGCDRO Cc1cccc(C)c1CC[NH2+]Cc1ccc(N)cc1 ZINC001334773964 936113041 /nfs/dbraw/zinc/11/30/41/936113041.db2.gz BLJLEXLFTCWNOM-UHFFFAOYSA-N 1 0 254.377 3.218 20 10 CGCDRO CC(C)(C)c1ccncc1C[NH2+]Cc1ccc(N)cc1 ZINC001336284514 936186093 /nfs/dbraw/zinc/18/60/93/936186093.db2.gz AMDFSCFCZKGLKW-UHFFFAOYSA-N 1 0 269.392 3.251 20 10 CGCDRO C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1ccc(N)cc1 ZINC001336287092 936186312 /nfs/dbraw/zinc/18/63/12/936186312.db2.gz XJBAZYVKXREWML-PWSUYJOCSA-N 1 0 272.314 3.432 20 10 CGCDRO C[C@@H](c1ccccc1)[N@H+](CCO)Cc1cc(F)ccc1O ZINC001474336099 937852742 /nfs/dbraw/zinc/85/27/42/937852742.db2.gz SJXOJSIPBBVDGW-ZDUSSCGKSA-N 1 0 289.350 3.087 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC001474490911 937862634 /nfs/dbraw/zinc/86/26/34/937862634.db2.gz OFVBRIMHIKYUJV-QGZVFWFLSA-N 1 0 290.451 3.308 20 10 CGCDRO CC[C@@H](C)[C@H](C[NH2+]Cc1ccc(N(C)C)cc1C)OC ZINC001474535814 937865540 /nfs/dbraw/zinc/86/55/40/937865540.db2.gz LARRVPRZETYYFA-DYVFJYSZSA-N 1 0 278.440 3.212 20 10 CGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CCCc3c(cnn3C)C2)c1 ZINC001474579345 937868602 /nfs/dbraw/zinc/86/86/02/937868602.db2.gz ZHQVBSKAQGINTI-UHFFFAOYSA-N 1 0 299.418 3.198 20 10 CGCDRO CO[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(Cl)cc1O ZINC001474614169 937870829 /nfs/dbraw/zinc/87/08/29/937870829.db2.gz UWGVVVFKQYOJDI-TZMCWYRMSA-N 1 0 269.772 3.093 20 10 CGCDRO CC(=O)Nc1ccccc1C[NH2+][C@@H](C)c1ccccc1O ZINC001474668602 937873874 /nfs/dbraw/zinc/87/38/74/937873874.db2.gz OGFVFEQGPXYESB-LBPRGKRZSA-N 1 0 284.359 3.201 20 10 CGCDRO Cc1ccc(NCC[NH2+]Cc2cc(C(C)C)ccc2O)nc1 ZINC001474718392 937876892 /nfs/dbraw/zinc/87/68/92/937876892.db2.gz BSUFZMUYOXBKTD-UHFFFAOYSA-N 1 0 299.418 3.421 20 10 CGCDRO COc1cc(O)c(C[NH2+]C(C(C)C)C(C)C)cc1OC ZINC001474750952 937878980 /nfs/dbraw/zinc/87/89/80/937878980.db2.gz DOKXXQPABNVQJX-UHFFFAOYSA-N 1 0 281.396 3.180 20 10 CGCDRO C[C@@H]([NH2+]CCN1C[C@H](C)C[C@@H](C)C1)c1ccccc1O ZINC001560074857 938243244 /nfs/dbraw/zinc/24/32/44/938243244.db2.gz ITEMGFHTJRGIDZ-RBSFLKMASA-N 1 0 276.424 3.021 20 10 CGCDRO Cc1cc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)ccc1N1CCCCC1 ZINC001560136190 938244850 /nfs/dbraw/zinc/24/48/50/938244850.db2.gz NALZZBAUQQRPHU-CALCHBBNSA-N 1 0 270.420 3.437 20 10 CGCDRO COc1ccc(C[NH2+]C[C@@]2(C)CCCC[C@@H]2O)cc1C ZINC001560369468 938255802 /nfs/dbraw/zinc/25/58/02/938255802.db2.gz YEONGLKSKUDANJ-DLBZAZTESA-N 1 0 277.408 3.034 20 10 CGCDRO CN(C)c1cc(F)c(C[NH2+]C2(C3CC3)CCC2)cc1F ZINC001560588057 938264117 /nfs/dbraw/zinc/26/41/17/938264117.db2.gz LKDJSCPOVASKBO-UHFFFAOYSA-N 1 0 280.362 3.453 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+][C@H]2CSC[C@H]2C)c1 ZINC001560823583 938277925 /nfs/dbraw/zinc/27/79/25/938277925.db2.gz LGGGRNDISUPJOG-RISCZKNCSA-N 1 0 265.422 3.357 20 10 CGCDRO CCC[C@H](C)CC[NH2+]Cc1cc(OC)c(OC)cc1O ZINC001560989278 938288332 /nfs/dbraw/zinc/28/83/32/938288332.db2.gz WUTVQWLUIVTVJV-LBPRGKRZSA-N 1 0 281.396 3.325 20 10 CGCDRO CC[C@@H]1CC[C@H]1[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001561039739 938291369 /nfs/dbraw/zinc/29/13/69/938291369.db2.gz ABQXUCCYNBONLU-OLMNPRSZSA-N 1 0 289.467 3.134 20 10 CGCDRO CC(C)(C)c1cnc(SCCC2C[NH2+]C2)s1 ZINC001575277126 962354662 /nfs/dbraw/zinc/35/46/62/962354662.db2.gz IMXBISIKKIGSGQ-UHFFFAOYSA-N 1 0 256.440 3.142 20 10 CGCDRO CC(C)(CO)[C@H]([NH2+]Cc1ccc(N)cc1)c1cccs1 ZINC001575338565 962366068 /nfs/dbraw/zinc/36/60/68/962366068.db2.gz QUIRBPCXQSCEES-OAHLLOKOSA-N 1 0 290.432 3.180 20 10 CGCDRO COc1ccc(N(C[C@H]2CCC[NH2+]C2)C(C)C)cc1F ZINC001579224711 962611003 /nfs/dbraw/zinc/61/10/03/962611003.db2.gz SKUGUVFQWLPROK-ZDUSSCGKSA-N 1 0 280.387 3.049 20 10 CGCDRO Cn1c(C[NH2+]Cc2ccc(N)cc2)cc2ccccc21 ZINC001579945401 962685877 /nfs/dbraw/zinc/68/58/77/962685877.db2.gz HOCCWGURBCHLHG-UHFFFAOYSA-N 1 0 265.360 3.050 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@]3(CCOC3)C2)cc1 ZINC000093820740 370161873 /nfs/dbraw/zinc/16/18/73/370161873.db2.gz HLNHSLCJMFGFOI-GOSISDBHSA-N 1 0 288.435 3.145 20 10 CGCDRO CCOc1cccc(C[NH2+]CCOC2CCCCC2)c1O ZINC000111607918 370401410 /nfs/dbraw/zinc/40/14/10/370401410.db2.gz MILPNHBOQAYPGT-UHFFFAOYSA-N 1 0 293.407 3.230 20 10 CGCDRO COc1cccc(C[NH2+][C@@H]2CCC[C@H](SC)C2)c1O ZINC000117393857 370589721 /nfs/dbraw/zinc/58/97/21/370589721.db2.gz SBVPKJUBCSOPNJ-OLZOCXBDSA-N 1 0 281.421 3.165 20 10 CGCDRO Oc1cccc(Cl)c1CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000134122502 371305211 /nfs/dbraw/zinc/30/52/11/371305211.db2.gz DLSDHNDXHZHIEL-CYBMUJFWSA-N 1 0 294.826 3.106 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 ZINC000134784236 371364629 /nfs/dbraw/zinc/36/46/29/371364629.db2.gz WWPUIRQYOUODPK-OQUILHJVSA-N 1 0 287.403 3.309 20 10 CGCDRO COc1cccc(C2([NH2+]Cc3ccc4c(c3)CCO4)CC2)c1 ZINC000150893089 371545987 /nfs/dbraw/zinc/54/59/87/371545987.db2.gz JXMABDWNBXNMAE-UHFFFAOYSA-N 1 0 295.382 3.409 20 10 CGCDRO COc1ccc(C[NH2+][C@H](C)[C@H](O)c2ccccc2)cc1C ZINC000288443817 371736948 /nfs/dbraw/zinc/73/69/48/371736948.db2.gz CMMQADKCVZUFKH-KDOFPFPSSA-N 1 0 285.387 3.215 20 10 CGCDRO CCOCCCC[NH2+][C@@H](CC)c1ccccc1O ZINC000155217295 371915094 /nfs/dbraw/zinc/91/50/94/371915094.db2.gz KOAJOBDLJXYUHG-AWEZNQCLSA-N 1 0 251.370 3.250 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCOC(C)(C)C2)c1 ZINC000159954754 372197815 /nfs/dbraw/zinc/19/78/15/372197815.db2.gz GRGPZDXTMGZMSR-QWHCGFSZSA-N 1 0 263.381 3.309 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]Cc2occc2C)c1O ZINC000292744047 372200656 /nfs/dbraw/zinc/20/06/56/372200656.db2.gz HTUFZOCYIQEPFU-UHFFFAOYSA-N 1 0 281.739 3.245 20 10 CGCDRO C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccc(F)cc1[O-] ZINC000293756509 372472482 /nfs/dbraw/zinc/47/24/82/372472482.db2.gz QVQOWAIIIVKTHY-CQSZACIVSA-N 1 0 294.414 3.448 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCOCC2CC2)c(O)c1 ZINC000293673856 372445804 /nfs/dbraw/zinc/44/58/04/372445804.db2.gz JWBYRWVMPFVUSQ-CYBMUJFWSA-N 1 0 263.381 3.086 20 10 CGCDRO Oc1ccccc1C[NH2+]C[C@H]1CCCCC1(F)F ZINC000294167321 372600554 /nfs/dbraw/zinc/60/05/54/372600554.db2.gz IYAWERBMVSGAGQ-GFCCVEGCSA-N 1 0 255.308 3.307 20 10 CGCDRO CO[C@](C)(C[NH2+][C@H](C)c1c(C)cc(C)cc1O)C1CC1 ZINC000294314211 372647036 /nfs/dbraw/zinc/64/70/36/372647036.db2.gz OACCKVXFZKDWKR-CXAGYDPISA-N 1 0 277.408 3.475 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](C)CCCCO)c1ccc(N(C)C)cc1 ZINC000295857947 372936888 /nfs/dbraw/zinc/93/68/88/372936888.db2.gz BIECEXGFRDWYIK-WMLDXEAASA-N 1 0 278.440 3.344 20 10 CGCDRO CCn1cc([C@H](C)[NH2+][C@H](C)c2ccccc2O)cn1 ZINC000295979187 372981202 /nfs/dbraw/zinc/98/12/02/372981202.db2.gz OQDCOHLSLLMLJF-NWDGAFQWSA-N 1 0 259.353 3.020 20 10 CGCDRO COc1cccc(C[NH2+][C@H]2CCc3cccc(O)c32)c1OC ZINC000296069580 373013307 /nfs/dbraw/zinc/01/33/07/373013307.db2.gz SCQAHAVDQXNQLQ-AWEZNQCLSA-N 1 0 299.370 3.187 20 10 CGCDRO C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297637319 373276043 /nfs/dbraw/zinc/27/60/43/373276043.db2.gz JOMICNUGNQIRLX-MLGOLLRUSA-N 1 0 283.371 3.306 20 10 CGCDRO Cc1cccc2nc(C[NH2+][C@H]3CCc4cccc(O)c43)cn21 ZINC000297722216 373279545 /nfs/dbraw/zinc/27/95/45/373279545.db2.gz NFBKKOGAHZFYDC-HNNXBMFYSA-N 1 0 293.370 3.125 20 10 CGCDRO Cc1cc(CN(Cc2ccc(N(C)C)cc2)C(C)C)no1 ZINC000298699730 373386866 /nfs/dbraw/zinc/38/68/66/373386866.db2.gz GPFHLVPAODGNAM-UHFFFAOYSA-N 1 0 287.407 3.460 20 10 CGCDRO CC[N@H+](Cc1cccs1)Cc1cccc(OC)c1O ZINC000179720683 373910172 /nfs/dbraw/zinc/91/01/72/373910172.db2.gz SGPCRFLANXFYJS-UHFFFAOYSA-N 1 0 277.389 3.484 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1)c1ccccc1O ZINC000179890602 373935989 /nfs/dbraw/zinc/93/59/89/373935989.db2.gz JDWILDAGIUMQSZ-BDJLRTHQSA-N 1 0 291.778 3.430 20 10 CGCDRO CCc1cnc(CN(C)Cc2cc(OC)ccc2O)s1 ZINC000180558971 374022765 /nfs/dbraw/zinc/02/27/65/374022765.db2.gz VUEDLVDGDRRPPW-UHFFFAOYSA-N 1 0 292.404 3.052 20 10 CGCDRO C[C@H](C[NH2+][C@H](C)c1ccccc1O)N1CCC(C)CC1 ZINC000183468283 374417759 /nfs/dbraw/zinc/41/77/59/374417759.db2.gz CHSCDZGUYMOUSS-HUUCEWRRSA-N 1 0 276.424 3.163 20 10 CGCDRO Cc1noc(C)c1[C@@H](C)C[NH2+][C@H](C)c1ccccc1O ZINC000183626859 374436405 /nfs/dbraw/zinc/43/64/05/374436405.db2.gz DATWFFZLUUJYCF-WDEREUQCSA-N 1 0 274.364 3.451 20 10 CGCDRO C[C@@H]([NH2+][C@H](CCO)C1CCCCC1)c1ccccc1O ZINC000183569271 374428427 /nfs/dbraw/zinc/42/84/27/374428427.db2.gz UATRWSASOURWFA-CZUORRHYSA-N 1 0 277.408 3.374 20 10 CGCDRO COCC1=CC[N@H+](Cc2c(O)ccc3ccccc32)CC1 ZINC000185035422 374579226 /nfs/dbraw/zinc/57/92/26/374579226.db2.gz KPVPXQQSRPGBHO-UHFFFAOYSA-N 1 0 283.371 3.324 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H](C)N(C)C1CC1)c1cc(Cl)ccc1O ZINC000185368538 374648266 /nfs/dbraw/zinc/64/82/66/374648266.db2.gz QMAFANGOOMMAKW-GHMZBOCLSA-N 1 0 282.815 3.179 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(F)c(F)c1[O-] ZINC000187747690 375085465 /nfs/dbraw/zinc/08/54/65/375085465.db2.gz JBDAKRCSUUYBTF-UTUOFQBUSA-N 1 0 298.377 3.194 20 10 CGCDRO CCOC1CC(CC[NH2+][C@@H](C)c2cc(OC)ccc2O)C1 ZINC000189267616 375352170 /nfs/dbraw/zinc/35/21/70/375352170.db2.gz ZYEJIAHQMLFAKZ-OPFPJEHXSA-N 1 0 293.407 3.257 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CC[C@@](C)(O)c2ccccc2)cc1C ZINC000189843037 375452920 /nfs/dbraw/zinc/45/29/20/375452920.db2.gz HFIGDXPAAACQFJ-LJQANCHMSA-N 1 0 299.414 3.396 20 10 CGCDRO C[C@@H]1CCSCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000191818250 375666319 /nfs/dbraw/zinc/66/63/19/375666319.db2.gz RKXVLWBAGLEOIP-CYBMUJFWSA-N 1 0 264.438 3.080 20 10 CGCDRO C[C@@H]([NH2+]CCCn1cnc2ccccc21)c1ccccc1O ZINC000192930941 375805147 /nfs/dbraw/zinc/80/51/47/375805147.db2.gz VCWZOVVGNAMLDG-CQSZACIVSA-N 1 0 295.386 3.483 20 10 CGCDRO C[C@H](O)C[N@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000192772884 375787383 /nfs/dbraw/zinc/78/73/83/375787383.db2.gz JTUPAVJKOIFPKH-GJZGRUSLSA-N 1 0 285.387 3.336 20 10 CGCDRO Oc1cc(Br)ccc1C[NH2+]CC1CC=CC1 ZINC000529638733 375931838 /nfs/dbraw/zinc/93/18/38/375931838.db2.gz ATGCXMCZYHZTGT-UHFFFAOYSA-N 1 0 282.181 3.211 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+][C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)c1O ZINC000529670051 375933447 /nfs/dbraw/zinc/93/34/47/375933447.db2.gz QCCPGKTYUAJJQZ-ZHPDPMBESA-N 1 0 283.799 3.256 20 10 CGCDRO COc1cccc(C[N@@H+]2CCC[C@H]3CCC[C@H]32)c1O ZINC000228172841 376430494 /nfs/dbraw/zinc/43/04/94/376430494.db2.gz SJUXMKDJEHMAGN-TZMCWYRMSA-N 1 0 261.365 3.165 20 10 CGCDRO Nc1ccc(NC(=O)c2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000238031248 376768232 /nfs/dbraw/zinc/76/82/32/376768232.db2.gz XRJGEDZOHVLVNP-UHFFFAOYSA-N 1 0 295.386 3.117 20 10 CGCDRO CC(C)[C@@H](CO)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000267404250 378037784 /nfs/dbraw/zinc/03/77/84/378037784.db2.gz YFNZPLVHDYMMHK-QGZVFWFLSA-N 1 0 285.387 3.166 20 10 CGCDRO CCC[C@@H](O)C[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000268889154 378143934 /nfs/dbraw/zinc/14/39/34/378143934.db2.gz NLKPAFLYYQXAOO-CRAIPNDOSA-N 1 0 290.451 3.489 20 10 CGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cnccc1C ZINC000269733987 378261002 /nfs/dbraw/zinc/26/10/02/378261002.db2.gz WXCOOJUDYKDSQW-UHFFFAOYSA-N 1 0 283.419 3.478 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cccc(CO)c1 ZINC000270526868 378364537 /nfs/dbraw/zinc/36/45/37/378364537.db2.gz TVIZPSIKYSATLE-AWEZNQCLSA-N 1 0 284.403 3.096 20 10 CGCDRO CCOc1ccc(O)c(C[N@H+](C)CCCOC(C)C)c1 ZINC000271160193 378467044 /nfs/dbraw/zinc/46/70/44/378467044.db2.gz AFYYIVSKSAOJFH-UHFFFAOYSA-N 1 0 281.396 3.038 20 10 CGCDRO COc1cccc(C[N@H+](C)Cc2cccs2)c1O ZINC000271017740 378428656 /nfs/dbraw/zinc/42/86/56/378428656.db2.gz SFYTVLKZODDBDU-UHFFFAOYSA-N 1 0 263.362 3.094 20 10 CGCDRO CN(C)c1ccc(C[N@H+](Cc2cncs2)C2CC2)cc1 ZINC000271037281 378435402 /nfs/dbraw/zinc/43/54/02/378435402.db2.gz GPHKCGPSBLGRTO-UHFFFAOYSA-N 1 0 287.432 3.374 20 10 CGCDRO C[N@H+](Cc1ccccc1O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000271296217 378489077 /nfs/dbraw/zinc/48/90/77/378489077.db2.gz RFTZZUAYPKLKQR-SFHVURJKSA-N 1 0 296.414 3.099 20 10 CGCDRO CC(C)(C)OC1CC[NH+](Cc2ccccc2O)CC1 ZINC000271350800 378489841 /nfs/dbraw/zinc/48/98/41/378489841.db2.gz LFNUGXHYNVNZGJ-UHFFFAOYSA-N 1 0 263.381 3.172 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)c1 ZINC000271708033 378500783 /nfs/dbraw/zinc/50/07/83/378500783.db2.gz ADLWIBNMTHOUGX-HNNXBMFYSA-N 1 0 272.348 3.066 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](CCO)c2ccccc2)c1 ZINC000273621915 378757193 /nfs/dbraw/zinc/75/71/93/378757193.db2.gz ZJXJVMJYPNONOA-RHSMWYFYSA-N 1 0 285.387 3.475 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCO[C@H](C(C)C)C2)c1 ZINC000273499816 378749891 /nfs/dbraw/zinc/74/98/91/378749891.db2.gz PZWXGXDQLIDRBU-DCGLDWPTSA-N 1 0 293.407 3.255 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CC2([C@@H](O)C(C)C)CC2)c(O)c1 ZINC000273481220 378750326 /nfs/dbraw/zinc/75/03/26/378750326.db2.gz MDKRATYOVNEDCK-CJNGLKHVSA-N 1 0 277.408 3.148 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCc2ccncc2C)c1 ZINC000273485556 378750532 /nfs/dbraw/zinc/75/05/32/378750532.db2.gz NFDAVFALYWRZMO-AWEZNQCLSA-N 1 0 270.376 3.297 20 10 CGCDRO COCC[C@H](C)[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000273589382 378753586 /nfs/dbraw/zinc/75/35/86/378753586.db2.gz OVOVUHRKAGHSKI-WCQYABFASA-N 1 0 251.370 3.085 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CC(C)(C)CCO)c(O)c1C ZINC000273589349 378754129 /nfs/dbraw/zinc/75/41/29/378754129.db2.gz OTYSWKOJAIVXLG-ZDUSSCGKSA-N 1 0 265.397 3.068 20 10 CGCDRO CC(C)[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2O)CCO1 ZINC000272815090 378708418 /nfs/dbraw/zinc/70/84/18/378708418.db2.gz DXGAKDMWEHAPSF-XEZPLFJOSA-N 1 0 263.381 3.246 20 10 CGCDRO C[C@@H](CCO)C1(C[NH2+][C@@H](C)c2ccccc2O)CCC1 ZINC000272827725 378711540 /nfs/dbraw/zinc/71/15/40/378711540.db2.gz HBEXGYIGCASXLI-KBPBESRZSA-N 1 0 277.408 3.232 20 10 CGCDRO CO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000273607984 378756308 /nfs/dbraw/zinc/75/63/08/378756308.db2.gz UXAXPXPQDIYTOB-PSOPSSQASA-N 1 0 267.344 3.140 20 10 CGCDRO CCC1(C[NH2+][C@H](C)c2cc(F)ccc2O)CCOCC1 ZINC000273596452 378756474 /nfs/dbraw/zinc/75/64/74/378756474.db2.gz QVFSHWBWWNDCNO-GFCCVEGCSA-N 1 0 281.371 3.389 20 10 CGCDRO CCC[C@@H](CCO)C[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000273607203 378756700 /nfs/dbraw/zinc/75/67/00/378756700.db2.gz UNCHHFZENCRBJI-GJZGRUSLSA-N 1 0 279.424 3.458 20 10 CGCDRO [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000371424044 379163089 /nfs/dbraw/zinc/16/30/89/379163089.db2.gz FROUDHSAGMYLJE-CYBMUJFWSA-N 1 0 251.757 3.420 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H]2c2ncc[nH]2)cc1C ZINC000375344287 379493806 /nfs/dbraw/zinc/49/38/06/379493806.db2.gz CSXWOZGRYLROJM-CQSZACIVSA-N 1 0 271.364 3.069 20 10 CGCDRO CCCC[N@H+](Cc1ccccc1O)[C@@H](C)COC ZINC000282547808 379943781 /nfs/dbraw/zinc/94/37/81/379943781.db2.gz WVJBTANXXNQRHL-ZDUSSCGKSA-N 1 0 251.370 3.029 20 10 CGCDRO COCC1(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)CCC1 ZINC000282915987 380012281 /nfs/dbraw/zinc/01/22/81/380012281.db2.gz XQLJKDPGFCBMBS-CQSZACIVSA-N 1 0 276.424 3.220 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CC2(C)CCOCC2)c(O)c1 ZINC000285219831 380145133 /nfs/dbraw/zinc/14/51/33/380145133.db2.gz OVTIFNIVWOAHRF-CQSZACIVSA-N 1 0 277.408 3.476 20 10 CGCDRO CO[C@H](C[NH2+][C@H](C)c1c(C)cc(C)cc1O)C(C)C ZINC000284177907 380134723 /nfs/dbraw/zinc/13/47/23/380134723.db2.gz QVMGMGHRDUTYSU-UKRRQHHQSA-N 1 0 265.397 3.331 20 10 CGCDRO Cc1cc(Cl)cc(CN2CCC[N@@H+]3CCC[C@@H]3C2)c1O ZINC000362239891 381915129 /nfs/dbraw/zinc/91/51/29/381915129.db2.gz SXIJGBWBESYQQQ-OAHLLOKOSA-N 1 0 294.826 3.024 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCc3nc(C)ncc3C2)c1 ZINC000363855688 382259510 /nfs/dbraw/zinc/25/95/10/382259510.db2.gz AWYJWOCZUIAQNO-WFASDCNBSA-N 1 0 297.402 3.007 20 10 CGCDRO C[C@H]([NH2+]C[C@]1(C)CCO[C@H]1C1CC1)c1cc(F)ccc1O ZINC000364151703 382262705 /nfs/dbraw/zinc/26/27/05/382262705.db2.gz UWIZLNMWVAEMGE-GOPGUHFVSA-N 1 0 293.382 3.387 20 10 CGCDRO C[C@]1(O)CCC[N@H+](Cc2c(O)ccc3ccccc32)CC1 ZINC000366252250 382303810 /nfs/dbraw/zinc/30/38/10/382303810.db2.gz XWOKLONQVBGSCQ-SFHVURJKSA-N 1 0 285.387 3.282 20 10 CGCDRO CCN(C(=O)c1cccc2c1CC[NH2+]C2)c1ccc(F)cc1 ZINC000388582507 542606006 /nfs/dbraw/zinc/60/60/06/542606006.db2.gz QTHCXBQSCBZGEV-UHFFFAOYSA-N 1 0 298.361 3.138 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H]1CCCOC1)c1ccc(N(C)C)cc1 ZINC000178427443 392678671 /nfs/dbraw/zinc/67/86/71/392678671.db2.gz MAKHHEJGBLBUPY-YOEHRIQHSA-N 1 0 276.424 3.220 20 10 CGCDRO Oc1ccccc1C[NH2+][C@H](c1ccccc1)[C@H]1CCOC1 ZINC000374498241 392679138 /nfs/dbraw/zinc/67/91/38/392679138.db2.gz UVLLGVVFCQPQIG-FUHWJXTLSA-N 1 0 283.371 3.260 20 10 CGCDRO COc1ccc(C[NH2+]Cc2cc(C)c(C)cc2O)cc1O ZINC000174333260 392639327 /nfs/dbraw/zinc/63/93/27/392639327.db2.gz RZOZFCXSVHZBDK-UHFFFAOYSA-N 1 0 287.359 3.013 20 10 CGCDRO CSC1(C[NH2+][C@@H](C)c2cc(F)ccc2O)CCC1 ZINC000193808452 392886958 /nfs/dbraw/zinc/88/69/58/392886958.db2.gz ZJAUMRWBRYOELQ-JTQLQIEISA-N 1 0 269.385 3.468 20 10 CGCDRO C[C@H](c1ccccn1)[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000272753560 393265311 /nfs/dbraw/zinc/26/53/11/393265311.db2.gz KBPCKDYFVPNPPX-CYBMUJFWSA-N 1 0 287.382 3.480 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)C(C)(C)O ZINC000294929062 286920795 /nfs/dbraw/zinc/92/07/95/286920795.db2.gz HHZXSBLQHZNNHI-TVQRCGJNSA-N 1 0 271.788 3.246 20 10 CGCDRO COc1cccc(C[NH2+][C@H](C)CCc2ccco2)c1O ZINC000020144777 171030035 /nfs/dbraw/zinc/03/00/35/171030035.db2.gz LGOYSJDCKZINRD-GFCCVEGCSA-N 1 0 275.348 3.105 20 10 CGCDRO CCOc1cccc(C[NH2+]CC2CCCCC2)c1O ZINC000037259543 173069863 /nfs/dbraw/zinc/06/98/63/173069863.db2.gz JERLVGZIKIGTCD-UHFFFAOYSA-N 1 0 263.381 3.461 20 10 CGCDRO C[C@@H](O)CC(C)(C)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000090086273 260238184 /nfs/dbraw/zinc/23/81/84/260238184.db2.gz RUZGPJYPZNFDFS-ZIAGYGMSSA-N 1 0 278.440 3.200 20 10 CGCDRO CC(=O)Nc1ccc(CC[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC000154176139 261088354 /nfs/dbraw/zinc/08/83/54/261088354.db2.gz BAEVKBPRQMRNLZ-ZDUSSCGKSA-N 1 0 298.386 3.244 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccc3c[nH]nc3c2)cc1 ZINC000155200084 261099425 /nfs/dbraw/zinc/09/94/25/261099425.db2.gz PXJTXTNIFSKJAT-UHFFFAOYSA-N 1 0 294.402 3.261 20 10 CGCDRO CCOC(C)(C)C[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000159279289 261182844 /nfs/dbraw/zinc/18/28/44/261182844.db2.gz YXCPEMWAJFQMKA-LBPRGKRZSA-N 1 0 251.370 3.166 20 10 CGCDRO CC[N@H+](Cc1cc(OC)c(OC)cc1O)[C@@H](C)C(C)C ZINC000159982730 261201151 /nfs/dbraw/zinc/20/11/51/261201151.db2.gz IGRFCAQFBNZOJR-LBPRGKRZSA-N 1 0 281.396 3.276 20 10 CGCDRO COc1cc(O)c(C[N@H+](C)[C@H](C)C2(C)CC2)cc1OC ZINC000160383793 261212577 /nfs/dbraw/zinc/21/25/77/261212577.db2.gz IMPOATIUKUOEMV-LLVKDONJSA-N 1 0 279.380 3.030 20 10 CGCDRO Cc1ccccc1[C@H](O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000163201663 261309047 /nfs/dbraw/zinc/30/90/47/261309047.db2.gz HHTVBEBMIUYXCG-DNVCBOLYSA-N 1 0 298.430 3.445 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H]1CCCOC1)c1ccc(N(C)C)cc1 ZINC000178427454 261742140 /nfs/dbraw/zinc/74/21/40/261742140.db2.gz MAKHHEJGBLBUPY-WMLDXEAASA-N 1 0 276.424 3.220 20 10 CGCDRO Cc1c([C@H](C)[NH2+][C@@H](C)c2cc(Cl)ccc2O)cnn1C ZINC000185001759 262036459 /nfs/dbraw/zinc/03/64/59/262036459.db2.gz CWOJLBSJIFATIF-UWVGGRQHSA-N 1 0 293.798 3.499 20 10 CGCDRO C[C@](O)(C[NH2+]Cc1ccccc1O)c1cccc(Cl)c1 ZINC000185110179 262041923 /nfs/dbraw/zinc/04/19/23/262041923.db2.gz NTJUPPDRFAHIFS-INIZCTEOSA-N 1 0 291.778 3.043 20 10 CGCDRO Cc1nccn1C[C@@H](C)C[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000185346385 262051725 /nfs/dbraw/zinc/05/17/25/262051725.db2.gz CLSVSZDIUZRECC-KBPBESRZSA-N 1 0 287.407 3.192 20 10 CGCDRO C[C@H]([NH2+][C@H]1C[C@H](C)N(C2CC2)C1)c1cc(Cl)ccc1O ZINC000185671928 262065402 /nfs/dbraw/zinc/06/54/02/262065402.db2.gz WSIXCPIOTRHROA-GVXVVHGQSA-N 1 0 294.826 3.321 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCC[C@H]3OCC[C@@H]32)c1 ZINC000185772337 262069833 /nfs/dbraw/zinc/06/98/33/262069833.db2.gz CXGHDKAFHVDVLV-WBMRYOJMSA-N 1 0 291.391 3.009 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCN(c3ccccn3)C2)c1 ZINC000186171264 262082982 /nfs/dbraw/zinc/08/29/82/262082982.db2.gz LFPOQBHVZZWEAN-GJZGRUSLSA-N 1 0 297.402 3.025 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](CCO)c2ccco2)c1 ZINC000186541695 262098096 /nfs/dbraw/zinc/09/80/96/262098096.db2.gz UEQASJHKGUTNDJ-GXTWGEPZSA-N 1 0 275.348 3.068 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](CCO)c2ccco2)c1 ZINC000186541664 262098458 /nfs/dbraw/zinc/09/84/58/262098458.db2.gz UEQASJHKGUTNDJ-JSGCOSHPSA-N 1 0 275.348 3.068 20 10 CGCDRO COc1ccc(C[NH2+]CCc2csc(C)n2)cc1C ZINC000221823728 262300411 /nfs/dbraw/zinc/30/04/11/262300411.db2.gz FYIYJJROCMTFQB-UHFFFAOYSA-N 1 0 276.405 3.101 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccsc2)c(O)c1 ZINC000185513660 262305841 /nfs/dbraw/zinc/30/58/41/262305841.db2.gz JBSJTVCCWXXGJO-IAQYHMDHSA-N 1 0 277.389 3.146 20 10 CGCDRO CC[C@H]([NH2+]C[C@H](O)CC(C)(C)C)c1ccccc1O ZINC000186197956 262311749 /nfs/dbraw/zinc/31/17/49/262311749.db2.gz QNEHHVVZUDCEIV-OCCSQVGLSA-N 1 0 265.397 3.230 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](CCO)C(C)(C)C)c(O)c1 ZINC000186397768 262314708 /nfs/dbraw/zinc/31/47/08/262314708.db2.gz LMRHNAFHMMDGLG-DOMZBBRYSA-N 1 0 265.397 3.148 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)CCCCO)cc1F ZINC000272446245 263004456 /nfs/dbraw/zinc/00/44/56/263004456.db2.gz PBMIWUGDGMRZHI-AWEZNQCLSA-N 1 0 296.430 3.313 20 10 CGCDRO Oc1ccccc1C[NH2+]C1CCC(C(F)F)CC1 ZINC000282069675 263073975 /nfs/dbraw/zinc/07/39/75/263073975.db2.gz WPVVTEQQZVCTLJ-UHFFFAOYSA-N 1 0 255.308 3.306 20 10 CGCDRO CC[N@H+](Cc1ccncc1)Cc1cccc(C)c1O ZINC000289747731 263111875 /nfs/dbraw/zinc/11/18/75/263111875.db2.gz IZXIKHRBQZUTHM-UHFFFAOYSA-N 1 0 256.349 3.118 20 10 CGCDRO COc1cc(F)cc(C[NH2+][C@H]2CCc3cccc(O)c32)c1 ZINC000296954273 263198883 /nfs/dbraw/zinc/19/88/83/263198883.db2.gz QWQCLSLKUKUXIH-HNNXBMFYSA-N 1 0 287.334 3.317 20 10 CGCDRO CCOC[C@@H]([NH2+][C@H](CC)c1ccccc1O)C(C)C ZINC000189345783 264292149 /nfs/dbraw/zinc/29/21/49/264292149.db2.gz YAMYAUZDNOYZSW-HUUCEWRRSA-N 1 0 265.397 3.494 20 10 CGCDRO CC[C@H]([NH2+]Cc1cnc2n1CCCC2)c1ccc(C)cc1O ZINC000367435618 267089522 /nfs/dbraw/zinc/08/95/22/267089522.db2.gz CICHCGSPXVGHID-INIZCTEOSA-N 1 0 299.418 3.474 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2cnc3n2CCCC3)c1 ZINC000367438721 267090354 /nfs/dbraw/zinc/09/03/54/267090354.db2.gz OUTUGDHWQVUNMH-ZDUSSCGKSA-N 1 0 285.391 3.084 20 10 CGCDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1c(O)cccc1Cl ZINC000368043418 267141254 /nfs/dbraw/zinc/14/12/54/267141254.db2.gz PMAFSOSEYZTCNX-QWHCGFSZSA-N 1 0 294.826 3.104 20 10 CGCDRO CO[C@@]1(C)CCC[N@H+](Cc2cc(C)c(C)cc2O)CC1 ZINC000280350337 274073475 /nfs/dbraw/zinc/07/34/75/274073475.db2.gz SUKACIRVPUOWNW-KRWDZBQOSA-N 1 0 277.408 3.400 20 10 CGCDRO COc1cccc(C[N@H+]2Cc3ccccc3O[C@H](C)C2)c1O ZINC000011813901 278011693 /nfs/dbraw/zinc/01/16/93/278011693.db2.gz ICCXJIUQOFLFSI-CYBMUJFWSA-N 1 0 299.370 3.184 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@H]1CCCSC1)CC2 ZINC000297396117 280454572 /nfs/dbraw/zinc/45/45/72/280454572.db2.gz SCMOPBOXFDVWHW-YPMHNXCESA-N 1 0 263.406 3.112 20 10 CGCDRO COCCC1(C[NH2+][C@H](C)c2cc(OC)ccc2O)CCC1 ZINC000185752779 327844275 /nfs/dbraw/zinc/84/42/75/327844275.db2.gz GQNPEEJXKCQJOH-CYBMUJFWSA-N 1 0 293.407 3.258 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C(C)C)C(C)(C)O)c(O)c1 ZINC000276935501 328220234 /nfs/dbraw/zinc/22/02/34/328220234.db2.gz SUQYHERTEAMJEH-WFASDCNBSA-N 1 0 265.397 3.147 20 10 CGCDRO CS[C@@H]1CC[C@H]1[NH2+]Cc1c(C)c2ccccc2n1C ZINC000425338405 328468258 /nfs/dbraw/zinc/46/82/58/328468258.db2.gz PGIYKIPRZQHPMX-CZUORRHYSA-N 1 0 274.433 3.470 20 10 CGCDRO COc1ccc(C[NH2+]Cc2cccc(F)c2)cc1C ZINC000035254865 326844761 /nfs/dbraw/zinc/84/47/61/326844761.db2.gz QILWNWZSTCCSDO-UHFFFAOYSA-N 1 0 259.324 3.433 20 10 CGCDRO CCOc1cccc(C[N@H+](C)[C@H](C)C2(C)CC2)c1O ZINC000091900547 327187169 /nfs/dbraw/zinc/18/71/69/327187169.db2.gz QIAJSIHORGXROR-GFCCVEGCSA-N 1 0 263.381 3.411 20 10 CGCDRO COC[C@@H]1CCCC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000375096368 329000205 /nfs/dbraw/zinc/00/02/05/329000205.db2.gz GGMOTVNLHMBGNU-OAHLLOKOSA-N 1 0 294.414 3.140 20 10 CGCDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000377835659 329030900 /nfs/dbraw/zinc/03/09/00/329030900.db2.gz VPWSUHOYQXICLE-UONOGXRCSA-N 1 0 293.382 3.170 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H](Cc3ccncc3)C2)c1 ZINC000378627992 329056945 /nfs/dbraw/zinc/05/69/45/329056945.db2.gz BYSPWJLVEQUETA-MRXNPFEDSA-N 1 0 282.387 3.160 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@H]21)c1cc(F)ccc1O ZINC000248533933 329891557 /nfs/dbraw/zinc/89/15/57/329891557.db2.gz ZMASTTXXAVUUTP-PNEXNCLXSA-N 1 0 279.355 3.140 20 10 CGCDRO COc1ccc([C@H]([NH2+]Cc2cc(C)ccc2O)C2CC2)cn1 ZINC000527841452 330287324 /nfs/dbraw/zinc/28/73/24/330287324.db2.gz PMRRSVVPNUCOLG-GOSISDBHSA-N 1 0 298.386 3.345 20 10 CGCDRO CC[C@H]([NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C)c1ccccc1O ZINC000527999982 330299977 /nfs/dbraw/zinc/29/99/77/330299977.db2.gz DWMSCQPSAXSNCH-PDTFXZCISA-N 1 0 263.381 3.245 20 10 CGCDRO COc1cc(O)c(C[NH2+]CC[C@H]2CC=CCC2)cc1OC ZINC000529667060 333504915 /nfs/dbraw/zinc/50/49/15/333504915.db2.gz TXAYFALWENZQJQ-ZDUSSCGKSA-N 1 0 291.391 3.245 20 10 CGCDRO CCC[C@@]1(CO)CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000290181866 520963524 /nfs/dbraw/zinc/96/35/24/520963524.db2.gz NVHQNKCAXPHHQQ-OAHLLOKOSA-N 1 0 283.799 3.030 20 10 CGCDRO CC(C)COCCC[NH2+][C@@H](C)c1ccccc1O ZINC000020147224 519754069 /nfs/dbraw/zinc/75/40/69/519754069.db2.gz YWPRAWIMOUZIIJ-ZDUSSCGKSA-N 1 0 251.370 3.106 20 10 CGCDRO CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccccc2O)CS1 ZINC000277293815 519805802 /nfs/dbraw/zinc/80/58/02/519805802.db2.gz RKGPWENPXMHZKX-JSGCOSHPSA-N 1 0 251.395 3.012 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCOC2)cc1 ZINC000268921899 520289525 /nfs/dbraw/zinc/28/95/25/520289525.db2.gz VBAVBFNCTJQIAF-LZWOXQAQSA-N 1 0 276.424 3.218 20 10 CGCDRO CCCCN(C)C[C@@H](C)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000289820180 520413708 /nfs/dbraw/zinc/41/37/08/520413708.db2.gz OYLMHUSBDIDCCX-KGLIPLIRSA-N 1 0 294.439 3.172 20 10 CGCDRO CCCc1nc(C)c(C[NH2+]Cc2cc(C)ccc2O)o1 ZINC000291707692 521496800 /nfs/dbraw/zinc/49/68/00/521496800.db2.gz LAQDZJJLNPZAGU-UHFFFAOYSA-N 1 0 274.364 3.239 20 10 CGCDRO CCC[N@H+](CCCSCCOC)Cc1ccccc1O ZINC000278311624 521652763 /nfs/dbraw/zinc/65/27/63/521652763.db2.gz BJALAGBNWOFDCX-UHFFFAOYSA-N 1 0 297.464 3.374 20 10 CGCDRO CCC[N@H+](CCc1ccncc1)Cc1ccccc1O ZINC000103479568 521674183 /nfs/dbraw/zinc/67/41/83/521674183.db2.gz AICHRDXQLQSCEL-UHFFFAOYSA-N 1 0 270.376 3.242 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C[C@H]2CCSC2)C2CC2)cc1 ZINC000278421680 522172573 /nfs/dbraw/zinc/17/25/73/522172573.db2.gz IPPIBUSGXBLZGS-OAHLLOKOSA-N 1 0 290.476 3.470 20 10 CGCDRO CCc1nc(C)c(C[NH2+][C@H](C)c2ccc(C)cc2O)o1 ZINC000291971972 522209371 /nfs/dbraw/zinc/20/93/71/522209371.db2.gz UBLRCAVXPUHMSO-LLVKDONJSA-N 1 0 274.364 3.410 20 10 CGCDRO CC[C@H]([NH2+]C1CCN(C2CC2)CC1)c1ccc(C)cc1O ZINC000280156357 522558720 /nfs/dbraw/zinc/55/87/20/522558720.db2.gz QLIPJKLLVVETNW-KRWDZBQOSA-N 1 0 288.435 3.368 20 10 CGCDRO CC[C@H]([NH2+]CC(CC)(CC)CO)c1ccccc1O ZINC000156899625 522570370 /nfs/dbraw/zinc/57/03/70/522570370.db2.gz WUEPJQVWZUYDNB-AWEZNQCLSA-N 1 0 265.397 3.232 20 10 CGCDRO CC[C@H]([NH2+]CCCC(C)(C)CO)c1ccccc1O ZINC000155997321 522579924 /nfs/dbraw/zinc/57/99/24/522579924.db2.gz VRXUXFFPFXLRMD-AWEZNQCLSA-N 1 0 265.397 3.232 20 10 CGCDRO CC[C@H]([NH2+]CCc1nccs1)c1ccc(C)cc1O ZINC000280173537 522604664 /nfs/dbraw/zinc/60/46/64/522604664.db2.gz RHHHPHFXIQOKGE-ZDUSSCGKSA-N 1 0 276.405 3.441 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)[C@@H]1CCCCO1)c1ccccc1O ZINC000274812052 522692096 /nfs/dbraw/zinc/69/20/96/522692096.db2.gz YAOPAVDOQNJPJU-NOLJZWGESA-N 1 0 263.381 3.391 20 10 CGCDRO COCC(C)(C)CCC[NH2+]Cc1cccc(C)c1O ZINC000290459729 522807451 /nfs/dbraw/zinc/80/74/51/522807451.db2.gz MYAIGRNYMZKXII-UHFFFAOYSA-N 1 0 265.397 3.243 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H](O)c1ccc(C)o1)c1ccc(C)cc1O ZINC000279974120 522850088 /nfs/dbraw/zinc/85/00/88/522850088.db2.gz DFKJVAIZZWPYQI-GDBMZVCRSA-N 1 0 289.375 3.376 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H]1CCSC1)c1ccccc1O ZINC000228552444 522854607 /nfs/dbraw/zinc/85/46/07/522854607.db2.gz OTEFXIMLIJBJNO-WCQYABFASA-N 1 0 251.395 3.186 20 10 CGCDRO CC[C@@H]([NH2+][C@H]1CCSC1)c1ccc(C)cc1O ZINC000279988804 522950500 /nfs/dbraw/zinc/95/05/00/522950500.db2.gz FFEKBPMTFZNTSW-WCQYABFASA-N 1 0 251.395 3.247 20 10 CGCDRO CO[C@@H](C)[C@@H](C)[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000290297232 523431247 /nfs/dbraw/zinc/43/12/47/523431247.db2.gz YKNQRFZRIZNLFQ-BBBLOLIVSA-N 1 0 257.761 3.120 20 10 CGCDRO CN1CCCc2cc(C[NH2+]Cc3ccccc3)ccc21 ZINC000050266804 523862987 /nfs/dbraw/zinc/86/29/87/523862987.db2.gz VMQOXQLZQWZWGR-UHFFFAOYSA-N 1 0 266.388 3.359 20 10 CGCDRO CN1CCCc2cc(C[NH2+]Cc3cccs3)ccc21 ZINC000050266789 523863921 /nfs/dbraw/zinc/86/39/21/523863921.db2.gz JDOWLQPCALYVGA-UHFFFAOYSA-N 1 0 272.417 3.420 20 10 CGCDRO COc1ccc(C[NH2+]CC[C@H]2CCO[C@@H](C)C2)cc1C ZINC000273031183 524071179 /nfs/dbraw/zinc/07/11/79/524071179.db2.gz GGNKJVHQWVIGHS-GJZGRUSLSA-N 1 0 277.408 3.298 20 10 CGCDRO Cc1cccc(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c1O ZINC000292854862 524407481 /nfs/dbraw/zinc/40/74/81/524407481.db2.gz UPHXANAVRPPCEL-GXTWGEPZSA-N 1 0 267.319 3.178 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cnc(C)s2)c1 ZINC000040997435 524766533 /nfs/dbraw/zinc/76/65/33/524766533.db2.gz XZNVNGLMZBHNDG-SECBINFHSA-N 1 0 278.377 3.017 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CC2(CO)CC3(CCC3)C2)cc1C ZINC000278632691 525320379 /nfs/dbraw/zinc/32/03/79/525320379.db2.gz KUJVTEFLUHCZBS-UHFFFAOYSA-N 1 0 289.419 3.041 20 10 CGCDRO C[C@@H]([NH2+]CC1(O)CCCCCC1)c1ccccc1O ZINC000087088695 525422275 /nfs/dbraw/zinc/42/22/75/525422275.db2.gz AWUBBQKGDPXSQQ-CYBMUJFWSA-N 1 0 263.381 3.128 20 10 CGCDRO C[C@@H]([NH2+][C@H](CO)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000063000104 525667955 /nfs/dbraw/zinc/66/79/55/525667955.db2.gz OJIWTKXPHQMYST-RDTXWAMCSA-N 1 0 284.403 3.137 20 10 CGCDRO C[C@@H](O)CC[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000268866767 525770531 /nfs/dbraw/zinc/77/05/31/525770531.db2.gz HJTBEUADLSHDJB-HUUCEWRRSA-N 1 0 276.424 3.098 20 10 CGCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]C[C@@H]1CCOC1 ZINC000263700356 526338039 /nfs/dbraw/zinc/33/80/39/526338039.db2.gz RAYXFIVRMXWDAK-AWEZNQCLSA-N 1 0 283.371 3.185 20 10 CGCDRO Fc1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)cc1F ZINC000049577556 526339620 /nfs/dbraw/zinc/33/96/20/526339620.db2.gz IOYLIKUDCPFTSR-UHFFFAOYSA-N 1 0 275.298 3.190 20 10 CGCDRO Oc1ccccc1C[NH2+]CCCc1ccccc1F ZINC000279625424 526372422 /nfs/dbraw/zinc/37/24/22/526372422.db2.gz ADEMGSMRPWWUSJ-UHFFFAOYSA-N 1 0 259.324 3.254 20 10 CGCDRO c1cc(N2CCCCC2)ccc1C[NH2+]C[C@@H]1CCCCO1 ZINC000042813816 526431751 /nfs/dbraw/zinc/43/17/51/526431751.db2.gz RFUYFVSHIJCWNW-SFHVURJKSA-N 1 0 288.435 3.336 20 10 CGCDRO Cc1ncc(C[N@@H+](C)Cc2ccc(N(C)C)c(C)c2)s1 ZINC000293342972 527252303 /nfs/dbraw/zinc/25/23/03/527252303.db2.gz DGGKZJLQODQGIX-UHFFFAOYSA-N 1 0 289.448 3.458 20 10 CGCDRO C[N@H+](Cc1c(O)ccc2ccncc21)CC(C)(C)C ZINC000738090332 571780656 /nfs/dbraw/zinc/78/06/56/571780656.db2.gz OTZWFLUJWJGPRL-UHFFFAOYSA-N 1 0 258.365 3.418 20 10 CGCDRO CC(C)OC1CC[NH+](Cc2cc3c(cc2O)CCC3)CC1 ZINC000730563688 572362744 /nfs/dbraw/zinc/36/27/44/572362744.db2.gz BBFIYUQYTRXECQ-UHFFFAOYSA-N 1 0 289.419 3.270 20 10 CGCDRO COc1ccc(C[NH2+]CCN2[C@H](C)CCC[C@@H]2C)cc1C ZINC000730818465 572378013 /nfs/dbraw/zinc/37/80/13/572378013.db2.gz VGLJARSVMLPJLI-IYBDPMFKSA-N 1 0 290.451 3.356 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2C[C@@H]2C)cc1F ZINC000740003898 572428149 /nfs/dbraw/zinc/42/81/49/572428149.db2.gz ASOJOGMJZXFMPI-GXTWGEPZSA-N 1 0 264.388 3.418 20 10 CGCDRO COC[C@@H](C)C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000725848311 572440296 /nfs/dbraw/zinc/44/02/96/572440296.db2.gz NVISVIQSSJSDFW-AWEZNQCLSA-N 1 0 285.387 3.431 20 10 CGCDRO CCN(C)c1ccc(C[N@H+](C)C[C@@H]2CCCCO2)cc1 ZINC000741754610 572522912 /nfs/dbraw/zinc/52/29/12/572522912.db2.gz SUHFEFHHBQLCRT-KRWDZBQOSA-N 1 0 276.424 3.144 20 10 CGCDRO Cc1ccc(CC[NH2+]Cc2cc(C)c(C)cc2O)o1 ZINC000742367544 572566998 /nfs/dbraw/zinc/56/69/98/572566998.db2.gz YFSKCCYMHBGASO-UHFFFAOYSA-N 1 0 259.349 3.243 20 10 CGCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C12CCC2 ZINC000742374205 572570690 /nfs/dbraw/zinc/57/06/90/572570690.db2.gz QHTSCZCAVQSRKE-IAGOWNOFSA-N 1 0 287.403 3.059 20 10 CGCDRO C[C@H]1SCC[N@H+](Cc2c(O)ccc3ccncc32)[C@@H]1C ZINC000735668556 572737225 /nfs/dbraw/zinc/73/72/25/572737225.db2.gz VDEIYWXOAUYGAG-VXGBXAGGSA-N 1 0 288.416 3.266 20 10 CGCDRO CCOc1cccc(C[NH2+]CC2CCC(OC)CC2)c1O ZINC000749925355 573060397 /nfs/dbraw/zinc/06/03/97/573060397.db2.gz JGWTVJJYEHVTAF-UHFFFAOYSA-N 1 0 293.407 3.086 20 10 CGCDRO CCC[N@H+](CCOCC1CC1)Cc1ccccc1O ZINC000160159324 617607565 /nfs/dbraw/zinc/60/75/65/617607565.db2.gz WYSYYTWILYYFMI-UHFFFAOYSA-N 1 0 263.381 3.031 20 10 CGCDRO Cc1cnc(C(C)(C)[NH2+]Cc2ccccc2O)s1 ZINC000175980457 618144378 /nfs/dbraw/zinc/14/43/78/618144378.db2.gz NDLBLUJMAUUBJX-UHFFFAOYSA-N 1 0 262.378 3.182 20 10 CGCDRO CCC(C)(C)OCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC000308724209 618382619 /nfs/dbraw/zinc/38/26/19/618382619.db2.gz FUXIVVCJNHZWKJ-UHFFFAOYSA-N 1 0 265.397 3.298 20 10 CGCDRO CC[C@]1(C)CC[N@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000892146561 618556657 /nfs/dbraw/zinc/55/66/57/618556657.db2.gz PACVFSOUBPCMLH-MRXNPFEDSA-N 1 0 279.380 3.031 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc(C)n2)c(O)c1 ZINC000051574671 618610520 /nfs/dbraw/zinc/61/05/20/618610520.db2.gz ZOKWKHYFIFGJMB-ZDUSSCGKSA-N 1 0 256.349 3.255 20 10 CGCDRO Cc1cccc(C[NH2+]CC[C@](C)(O)c2ccccc2)c1O ZINC000190273858 618684559 /nfs/dbraw/zinc/68/45/59/618684559.db2.gz NXWBBYCMLGJSGU-SFHVURJKSA-N 1 0 285.387 3.088 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](C)N2CCC[C@H](C)C2)c(O)c1 ZINC000185024057 625289914 /nfs/dbraw/zinc/28/99/14/625289914.db2.gz ZETVIJSWXYFOPS-XHSDSOJGSA-N 1 0 290.451 3.472 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)[C@H](O)C(C)C ZINC000840878563 618789289 /nfs/dbraw/zinc/78/92/89/618789289.db2.gz GVIXYSMGUODLPV-XOKHGSTOSA-N 1 0 278.440 3.199 20 10 CGCDRO CC[C@@H]1C[N@H+](Cc2cc(C)c(C)cc2O)C[C@@H](C)O1 ZINC000247735301 618857635 /nfs/dbraw/zinc/85/76/35/618857635.db2.gz VORMVXCREQSOSP-UKRRQHHQSA-N 1 0 263.381 3.008 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(C)o2)c1 ZINC000053035856 618877609 /nfs/dbraw/zinc/87/76/09/618877609.db2.gz CRXPBFMSIXKZMA-NSHDSACASA-N 1 0 261.321 3.153 20 10 CGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCC[C@@H]2C)c(O)c1OC ZINC000892677588 618900054 /nfs/dbraw/zinc/90/00/54/618900054.db2.gz HWFJLIHAFUHGMA-STQMWFEESA-N 1 0 293.407 3.325 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c1 ZINC000168970352 618914462 /nfs/dbraw/zinc/91/44/62/618914462.db2.gz LWZUBOIUPYLBKM-UAGQMJEPSA-N 1 0 287.403 3.138 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H]1COc2ccccc2O1)c1ccccc1O ZINC000314397298 618972218 /nfs/dbraw/zinc/97/22/18/618972218.db2.gz UAYSTOILUVCMKK-UKRRQHHQSA-N 1 0 299.370 3.273 20 10 CGCDRO COc1ccc(C[NH2+][C@H](C)C2CCCCC2)c(O)c1OC ZINC000893028001 618980464 /nfs/dbraw/zinc/98/04/64/618980464.db2.gz BSOALWCNTXWXBS-GFCCVEGCSA-N 1 0 293.407 3.468 20 10 CGCDRO C[C@H](CN1CCC[C@@H](C)C1)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000185123629 625308319 /nfs/dbraw/zinc/30/83/19/625308319.db2.gz IMKKUPQGZMHVSB-MCIONIFRSA-N 1 0 294.414 3.302 20 10 CGCDRO C[C@@H]([NH2+]Cc1cc(Br)ccc1O)C1(C)CC1 ZINC000309762976 619050231 /nfs/dbraw/zinc/05/02/31/619050231.db2.gz JCCSRFZLRKWILY-SECBINFHSA-N 1 0 284.197 3.433 20 10 CGCDRO C[C@@H]([NH2+]Cc1cccc(Br)c1[O-])C1(C)CC1 ZINC000309822334 619054800 /nfs/dbraw/zinc/05/48/00/619054800.db2.gz WOZNPJCJPXIXHL-SECBINFHSA-N 1 0 284.197 3.433 20 10 CGCDRO Cc1cc(C[C@H](C)[NH2+][C@H](C)c2cc(C)ccc2O)[nH]n1 ZINC000186130695 619068347 /nfs/dbraw/zinc/06/83/47/619068347.db2.gz PJVLEVWTZZESBE-WCQYABFASA-N 1 0 273.380 3.014 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2C[C@H](C)N(C3CC3)C2)c(Cl)c1 ZINC000840904278 619088073 /nfs/dbraw/zinc/08/80/73/619088073.db2.gz IJKLUDXMXCIETA-NWDGAFQWSA-N 1 0 294.826 3.069 20 10 CGCDRO C[C@H]([NH2+]CCCOC(F)F)c1cc(Cl)ccc1O ZINC000194033620 619136345 /nfs/dbraw/zinc/13/63/45/619136345.db2.gz ZLIZRCJNAAFHCU-QMMMGPOBSA-N 1 0 279.714 3.326 20 10 CGCDRO Cc1noc(C)c1[C@@H](C)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000313123639 619163709 /nfs/dbraw/zinc/16/37/09/619163709.db2.gz CPPNQCSHIFWHHF-NOZJJQNGSA-N 1 0 272.348 3.335 20 10 CGCDRO Cc1cc(O)c(C[N@H+](CCCO)CC(C)(C)C)cc1C ZINC000093146093 619169631 /nfs/dbraw/zinc/16/96/31/619169631.db2.gz UDHSENQDOBMFOB-UHFFFAOYSA-N 1 0 279.424 3.240 20 10 CGCDRO C[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000093498555 619201346 /nfs/dbraw/zinc/20/13/46/619201346.db2.gz DKZKOQGHIPRJDK-HZPDHXFCSA-N 1 0 288.435 3.144 20 10 CGCDRO COc1ccc(C[NH2+]Cc2ccc(C)c(C)n2)cc1C ZINC000314143685 619215929 /nfs/dbraw/zinc/21/59/29/619215929.db2.gz GKYQMWNWCZGFQO-UHFFFAOYSA-N 1 0 270.376 3.305 20 10 CGCDRO Cc1ccc([C@H](O)C[NH2+]Cc2ccc(N(C)C)cc2C)cc1 ZINC000840929387 619222998 /nfs/dbraw/zinc/22/29/98/619222998.db2.gz KNXYRUYARZAKEI-LJQANCHMSA-N 1 0 298.430 3.193 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C1(CCO)CCCCC1 ZINC000840935207 619226613 /nfs/dbraw/zinc/22/66/13/619226613.db2.gz IHHBNZMKKVDKPP-UHFFFAOYSA-N 1 0 290.451 3.236 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CC[C@H]1CCO[C@H](C)C1 ZINC000840940059 619231787 /nfs/dbraw/zinc/23/17/87/619231787.db2.gz VDQMMHPDYRIZQW-CVEARBPZSA-N 1 0 290.451 3.356 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H]1CSC[C@@H]1C ZINC000840977597 619309142 /nfs/dbraw/zinc/30/91/42/619309142.db2.gz WMAIDPZEWHMRED-GRDNDAEWSA-N 1 0 292.492 3.333 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@](C)(CO)c2ccccc2)cc1C ZINC000237762344 619309728 /nfs/dbraw/zinc/30/97/28/619309728.db2.gz KBIOEMRIMFGTDF-GOSISDBHSA-N 1 0 285.387 3.006 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)c1O ZINC000893864838 619323798 /nfs/dbraw/zinc/32/37/98/619323798.db2.gz FJUZYCHPYCAUAC-HNNXBMFYSA-N 1 0 286.375 3.374 20 10 CGCDRO CCC[N@H+](Cc1[nH]nc(C)c1C)Cc1ccccc1O ZINC000893983955 619346880 /nfs/dbraw/zinc/34/68/80/619346880.db2.gz IGZFYJJFTHZLSN-UHFFFAOYSA-N 1 0 273.380 3.144 20 10 CGCDRO CCCN(Cc1cnc(F)c(C)c1)c1ccc(C[NH3+])cc1 ZINC000894048154 619358608 /nfs/dbraw/zinc/35/86/08/619358608.db2.gz YDWJJKBKNSUIDV-UHFFFAOYSA-N 1 0 287.382 3.404 20 10 CGCDRO COc1cc(C)cc(C[NH2+]CCc2ccccc2)c1O ZINC000894145962 619392463 /nfs/dbraw/zinc/39/24/63/619392463.db2.gz KWPCCJDREYBOIM-UHFFFAOYSA-N 1 0 271.360 3.042 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@@H](C)Cc2ccco2)c1O ZINC000894166114 619398449 /nfs/dbraw/zinc/39/84/49/619398449.db2.gz VDBFPLZPFLYBFI-LBPRGKRZSA-N 1 0 275.348 3.023 20 10 CGCDRO OCCC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000924900478 619430143 /nfs/dbraw/zinc/43/01/43/619430143.db2.gz NOQICKNQLQRRJT-WBVHZDCISA-N 1 0 289.419 3.042 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@H]2CC(C)(C)OC2(C)C)c1O ZINC000894413907 619527541 /nfs/dbraw/zinc/52/75/41/619527541.db2.gz FRYVYWAHAXPCFM-AWEZNQCLSA-N 1 0 293.407 3.145 20 10 CGCDRO COc1cc(C)cc(C[NH2+]C23CCC(CC2)C3)c1O ZINC000894443007 619538114 /nfs/dbraw/zinc/53/81/14/619538114.db2.gz APSJQXIDWWLKGY-UHFFFAOYSA-N 1 0 261.365 3.132 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cnc(F)c(C)c2)c1 ZINC000894503218 619556837 /nfs/dbraw/zinc/55/68/37/619556837.db2.gz ZHPKSFBYBPLQRR-NSHDSACASA-N 1 0 290.338 3.094 20 10 CGCDRO CCn1ccc(C[N@H+](C)Cc2cc(Cl)ccc2O)c1 ZINC000792183428 619605630 /nfs/dbraw/zinc/60/56/30/619605630.db2.gz NCNHCIJNPNCAPN-UHFFFAOYSA-N 1 0 278.783 3.499 20 10 CGCDRO COc1ccnc([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2C)c1 ZINC000925081981 619644129 /nfs/dbraw/zinc/64/41/29/619644129.db2.gz SSMNMPGKIPXMID-CQSZACIVSA-N 1 0 299.418 3.315 20 10 CGCDRO CCOC1(C[NH2+]Cc2cc(C)cc(OC)c2O)CCCC1 ZINC000894860000 619656819 /nfs/dbraw/zinc/65/68/19/619656819.db2.gz SCIKDQGWVNHEGC-UHFFFAOYSA-N 1 0 293.407 3.148 20 10 CGCDRO COc1cc(C)cc(C[NH2+]CCC2CC(F)(F)C2)c1O ZINC000894964905 619688419 /nfs/dbraw/zinc/68/84/19/619688419.db2.gz BNTLWGFNFWKEMS-UHFFFAOYSA-N 1 0 285.334 3.234 20 10 CGCDRO C[C@H]([NH2+]Cc1cnn(CC2CCC2)c1)c1ccccc1O ZINC000895131687 619745824 /nfs/dbraw/zinc/74/58/24/619745824.db2.gz YSCDMPLGPILWBK-ZDUSSCGKSA-N 1 0 285.391 3.240 20 10 CGCDRO COc1ccc(C[NH2+]C[C@](C)(O)CCC(C)C)cc1C ZINC000237243892 619758490 /nfs/dbraw/zinc/75/84/90/619758490.db2.gz CMBUDQITVIGHJV-QGZVFWFLSA-N 1 0 279.424 3.280 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@H]2CCCC23CC3)c1O ZINC000895416727 619823829 /nfs/dbraw/zinc/82/38/29/619823829.db2.gz ATILVEBWMXAHCU-AWEZNQCLSA-N 1 0 261.365 3.132 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@@H]2C[C@@H]3CCCC[C@H]23)c1O ZINC000895630805 619861084 /nfs/dbraw/zinc/86/10/84/619861084.db2.gz NOHSOHOEHTYAGU-AEGPPILISA-N 1 0 275.392 3.378 20 10 CGCDRO COc1cc(C)cc(C[NH2+]CC[C@@H]2CC(C)(C)CO2)c1O ZINC000895802561 619888935 /nfs/dbraw/zinc/88/89/35/619888935.db2.gz MBHJHORMCLPSOT-CQSZACIVSA-N 1 0 293.407 3.004 20 10 CGCDRO CCCN(CCC)c1ccc(C[N@@H+]2C[C@H](O)C[C@H]2C)cc1 ZINC000788270286 619890031 /nfs/dbraw/zinc/89/00/31/619890031.db2.gz QWKMSIILPDRXBV-CRAIPNDOSA-N 1 0 290.451 3.268 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H](c2ccccn2)C2CC2)c1 ZINC000896611890 620035104 /nfs/dbraw/zinc/03/51/04/620035104.db2.gz GFTWWGBYVWRLCU-QGZVFWFLSA-N 1 0 284.359 3.037 20 10 CGCDRO Cc1cccc(C[NH2+]Cc2ccc3c(c2)C[C@@H](C)O3)c1O ZINC000896829715 620072902 /nfs/dbraw/zinc/07/29/02/620072902.db2.gz XNTZEAQKCWLGNN-CYBMUJFWSA-N 1 0 283.371 3.314 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H]2CCS[C@H](C)C2)c(O)c1 ZINC000896950590 620111865 /nfs/dbraw/zinc/11/18/65/620111865.db2.gz DMQULTPQVLFWKR-DGCLKSJQSA-N 1 0 251.395 3.074 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H]2CCS[C@H](C)C2)c1O ZINC000896951333 620112032 /nfs/dbraw/zinc/11/20/32/620112032.db2.gz ICMWZXFVHYFVJE-BXUZGUMPSA-N 1 0 265.422 3.328 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H](C)c2c(C)noc2C)c1O ZINC000073007040 625405656 /nfs/dbraw/zinc/40/56/56/625405656.db2.gz XQZAONIDAJREQS-JTQLQIEISA-N 1 0 290.363 3.247 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@]2(C)CCOc3ccccc32)c1 ZINC000897384928 620279289 /nfs/dbraw/zinc/27/92/89/620279289.db2.gz GSQVJTCNDMWKJF-SFHVURJKSA-N 1 0 299.370 3.188 20 10 CGCDRO COc1cccc(C[NH2+]Cc2cccc3cccnc32)c1O ZINC000237387061 620372783 /nfs/dbraw/zinc/37/27/83/620372783.db2.gz NLRSRBFWILTGSI-UHFFFAOYSA-N 1 0 294.354 3.239 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](CC(C)C)OC)c1 ZINC000841756062 620402541 /nfs/dbraw/zinc/40/25/41/620402541.db2.gz PNCQMUSCWBXAFG-OCCSQVGLSA-N 1 0 281.396 3.113 20 10 CGCDRO C[C@H](CCC(F)(F)F)[NH2+]CCc1ccc(N)cc1 ZINC000841035096 620416493 /nfs/dbraw/zinc/41/64/93/620416493.db2.gz KQCYYQOJUQHJGB-SNVBAGLBSA-N 1 0 260.303 3.132 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2C[C@@H]3CCC[C@@H]23)c1O ZINC000897955471 620455466 /nfs/dbraw/zinc/45/54/66/620455466.db2.gz VAOAIZDLBPFRQG-ZWKOPEQDSA-N 1 0 281.783 3.332 20 10 CGCDRO Cc1ccc(C[N@@H+]2CC[C@@H](Cc3nccs3)C2)c(O)c1 ZINC000898068136 620474383 /nfs/dbraw/zinc/47/43/83/620474383.db2.gz LHRGTIFJPPINHJ-ZDUSSCGKSA-N 1 0 288.416 3.222 20 10 CGCDRO COc1ccc(C[NH2+]Cc2c(C)nc3ccccn32)cc1C ZINC000898277609 620503487 /nfs/dbraw/zinc/50/34/87/620503487.db2.gz ZRIDLTSIRSXWHS-UHFFFAOYSA-N 1 0 295.386 3.250 20 10 CGCDRO Cc1ncccc1CC[NH2+]Cc1cc(Cl)ccc1O ZINC000898256952 620505098 /nfs/dbraw/zinc/50/50/98/620505098.db2.gz KGPPQVKXJPVIBY-UHFFFAOYSA-N 1 0 276.767 3.081 20 10 CGCDRO CSCC(C)(C)[NH2+]Cc1cc(C)c(C)cc1O ZINC000898305421 620508676 /nfs/dbraw/zinc/50/86/76/620508676.db2.gz CHJISHWWPILXTJ-UHFFFAOYSA-N 1 0 253.411 3.240 20 10 CGCDRO Oc1c(C[NH2+][C@@H]2COC[C@@H]2C2CC2)ccc2ccccc21 ZINC000898380408 620515291 /nfs/dbraw/zinc/51/52/91/620515291.db2.gz NYCHJNAGLOTEIS-IAGOWNOFSA-N 1 0 283.371 3.060 20 10 CGCDRO CC[C@H]([NH2+]C[C@@](C)(CC)OC)c1ccccc1O ZINC000322750338 620523294 /nfs/dbraw/zinc/52/32/94/620523294.db2.gz CDFXBTFPKWFFFU-DZGCQCFKSA-N 1 0 251.370 3.248 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCCC[C@H]([C@@H]3CCOC3)C2)c(O)c1 ZINC000898511659 620593881 /nfs/dbraw/zinc/59/38/81/620593881.db2.gz DHTNCHJOSOFIPL-DOTOQJQBSA-N 1 0 289.419 3.339 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@H]2CCC[C@@H](C)CC2)c1 ZINC000227542837 625497477 /nfs/dbraw/zinc/49/74/77/625497477.db2.gz YEMPFIBIBZITIH-OCCSQVGLSA-N 1 0 263.381 3.459 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cnn(CCF)c2)c(O)c1C ZINC000903274945 621658241 /nfs/dbraw/zinc/65/82/41/621658241.db2.gz UGQLIRRWYNEAIV-CYBMUJFWSA-N 1 0 291.370 3.026 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCN(C)[C@H]1C)c1cc(Cl)ccc1O ZINC000903300475 621667805 /nfs/dbraw/zinc/66/78/05/621667805.db2.gz IPSZBUVOLWGNAX-BPNCWPANSA-N 1 0 282.815 3.179 20 10 CGCDRO Cc1cc(CO)cc(C)c1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000903303555 621668844 /nfs/dbraw/zinc/66/88/44/621668844.db2.gz SUIMEKCJJHOULF-QGZVFWFLSA-N 1 0 297.398 3.278 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCOC23CCCC3)c(O)c1 ZINC000903383073 621725380 /nfs/dbraw/zinc/72/53/80/621725380.db2.gz LZDSKXYQOPSGIC-BBRMVZONSA-N 1 0 275.392 3.453 20 10 CGCDRO CC[C@H]([NH2+][C@H]1COC[C@@H]1C1CC1)c1ccc(C)cc1O ZINC000903438202 621746997 /nfs/dbraw/zinc/74/69/97/621746997.db2.gz SRTXJFOEYIPXRX-PMPSAXMXSA-N 1 0 275.392 3.166 20 10 CGCDRO CC(C)CC[C@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000042879407 621885974 /nfs/dbraw/zinc/88/59/74/621885974.db2.gz OTEKYKKSTCUVCR-NSHDSACASA-N 1 0 265.353 3.035 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCO[C@@H](C)CC2)cc1C(C)C ZINC000905742156 622103305 /nfs/dbraw/zinc/10/33/05/622103305.db2.gz ZVFDIRUOLOCAQW-AWEZNQCLSA-N 1 0 277.408 3.435 20 10 CGCDRO COc1cccc(C[NH2+][C@H]2CCCC(C)(C)C2)c1O ZINC000149428199 622306078 /nfs/dbraw/zinc/30/60/78/622306078.db2.gz XIGRFIDQIWGDCX-ZDUSSCGKSA-N 1 0 263.381 3.459 20 10 CGCDRO CCO[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(N(C)CC)cc2)C1 ZINC000840764795 625560487 /nfs/dbraw/zinc/56/04/87/625560487.db2.gz ZNOGBIGANVPWKV-JLJPHGGASA-N 1 0 276.424 3.361 20 10 CGCDRO Cc1ccc(O)c(C[N@H+](C)Cc2cccc(C)n2)c1 ZINC000769481635 625570468 /nfs/dbraw/zinc/57/04/68/625570468.db2.gz WWBGWMTVOYYXFP-UHFFFAOYSA-N 1 0 256.349 3.036 20 10 CGCDRO CC[C@@H](C)C[N@H+](CC)Cc1cc(OC)ccc1O ZINC000156088077 622684556 /nfs/dbraw/zinc/68/45/56/622684556.db2.gz FFOMXSYGQIDGCD-GFCCVEGCSA-N 1 0 251.370 3.269 20 10 CGCDRO CC[N@H+](Cc1c(O)c(C(=O)OC)cc2ccccc21)C1CC1 ZINC000912855095 622704868 /nfs/dbraw/zinc/70/48/68/622704868.db2.gz PXLZQCKUKRXKSU-UHFFFAOYSA-N 1 0 299.370 3.316 20 10 CGCDRO CC[C@H]([NH2+]C[C@H]1CCCCO1)c1ccc(N(C)C)cc1 ZINC000156415892 622817112 /nfs/dbraw/zinc/81/71/12/622817112.db2.gz QMLBLLSUIQHLTI-SJORKVTESA-N 1 0 276.424 3.362 20 10 CGCDRO C[C@H]([NH2+]CC1(CCO)CC1)c1ccc2ccccc2c1O ZINC000157444390 622906965 /nfs/dbraw/zinc/90/69/65/622906965.db2.gz GQEWXDYZWUBOLT-ZDUSSCGKSA-N 1 0 285.387 3.359 20 10 CGCDRO c1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cc2c1OCC2 ZINC000168981837 623020325 /nfs/dbraw/zinc/02/03/25/623020325.db2.gz KTWTUPCJBHRWMA-JQHSSLGASA-N 1 0 299.414 3.059 20 10 CGCDRO COc1ccccc1C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000171110484 623131237 /nfs/dbraw/zinc/13/12/37/623131237.db2.gz UHDSJMKVRSVIED-UHFFFAOYSA-N 1 0 284.403 3.393 20 10 CGCDRO CC1(C[NH2+]Cc2cc3c(cc2O)OCO3)CCCCC1 ZINC000229587395 623146956 /nfs/dbraw/zinc/14/69/56/623146956.db2.gz XWJAZKAQCZGGGJ-UHFFFAOYSA-N 1 0 277.364 3.181 20 10 CGCDRO Cc1nc(CC[NH2+]Cc2ccc3c(c2)CCCO3)cs1 ZINC000921521228 625628547 /nfs/dbraw/zinc/62/85/47/625628547.db2.gz WYZYHLAMZPEMQQ-UHFFFAOYSA-N 1 0 288.416 3.109 20 10 CGCDRO Cc1nc(C)c(C[NH2+]Cc2ccc(N(C)C)cc2C)s1 ZINC000076870382 623252574 /nfs/dbraw/zinc/25/25/74/623252574.db2.gz RKZBKZRVDNMXOD-UHFFFAOYSA-N 1 0 289.448 3.424 20 10 CGCDRO COc1cccc(C[NH2+][C@@H]2CCCCC[C@H]2C)c1O ZINC000088507135 623463698 /nfs/dbraw/zinc/46/36/98/623463698.db2.gz KHFMOEZWUXCTLT-TZMCWYRMSA-N 1 0 263.381 3.459 20 10 CGCDRO CC[C@@H](C[NH2+][C@H](C)c1ccc(N(C)C)cc1)N1CCCC1 ZINC000151671336 623555877 /nfs/dbraw/zinc/55/58/77/623555877.db2.gz SYSYBRMROLJYDE-WBVHZDCISA-N 1 0 289.467 3.278 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCOC1(C)C)c1ccc(N(C)C)cc1 ZINC000834874467 623833118 /nfs/dbraw/zinc/83/31/18/623833118.db2.gz DSECXFKRGVGVGN-JKSUJKDBSA-N 1 0 276.424 3.361 20 10 CGCDRO c1cn2cc(CNCc3ccc4c(c3)CCCO4)nc2s1 ZINC000921598626 625696405 /nfs/dbraw/zinc/69/64/05/625696405.db2.gz BZWMPYYRPZIABX-UHFFFAOYSA-N 1 0 299.399 3.011 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+](CCN(C)C)C2CCCC2)c1 ZINC000154628453 624330769 /nfs/dbraw/zinc/33/07/69/624330769.db2.gz NDHOBMCRFMVRTR-UHFFFAOYSA-N 1 0 276.424 3.007 20 10 CGCDRO Cc1cccc(C[N@H+](C)Cc2ccccc2F)c1O ZINC000179565944 624666334 /nfs/dbraw/zinc/66/63/34/624666334.db2.gz OYYCKHJVBWJFIV-UHFFFAOYSA-N 1 0 259.324 3.472 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2c2cccn2C)cc1 ZINC000179703829 624677972 /nfs/dbraw/zinc/67/79/72/624677972.db2.gz LWMZRFDJIVGRPG-GOSISDBHSA-N 1 0 283.419 3.428 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCC[C@H]2CN2CCCCC2)c1O ZINC000179803449 624687070 /nfs/dbraw/zinc/68/70/70/624687070.db2.gz DLJFMKPDDQTPAP-KRWDZBQOSA-N 1 0 288.435 3.151 20 10 CGCDRO C[C@@H]([NH2+]CCCOCC(F)(F)F)c1ccccc1O ZINC000179884106 624694881 /nfs/dbraw/zinc/69/48/81/624694881.db2.gz AKXYHRHVDJJHAZ-SNVBAGLBSA-N 1 0 277.286 3.012 20 10 CGCDRO CC[C@@H](C)[C@@H](C[NH2+]CCCSc1nccs1)OC ZINC000877061289 634967541 /nfs/dbraw/zinc/96/75/41/634967541.db2.gz CXXAEXXMJRDFDB-VXGBXAGGSA-N 1 0 288.482 3.276 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCSCC(C)C)c1 ZINC000182381274 624994944 /nfs/dbraw/zinc/99/49/44/624994944.db2.gz OLVMOWHJWISGSL-GFCCVEGCSA-N 1 0 283.437 3.441 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(CO)cc2)c1 ZINC000227460737 625041001 /nfs/dbraw/zinc/04/10/01/625041001.db2.gz BXGOMZBNNDJRSR-ZDUSSCGKSA-N 1 0 271.360 3.044 20 10 CGCDRO CCCC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000070975814 625047969 /nfs/dbraw/zinc/04/79/69/625047969.db2.gz RJWGCWVINVXCHP-OAHLLOKOSA-N 1 0 263.381 3.173 20 10 CGCDRO COc1ccc(O)c(C[NH2+]Cc2ccc(Cl)s2)c1 ZINC000070992037 625049428 /nfs/dbraw/zinc/04/94/28/625049428.db2.gz VIJHHMCYDQAUQY-UHFFFAOYSA-N 1 0 283.780 3.406 20 10 CGCDRO CC(C)[C@@H]1OCCC[C@H]1C[NH2+][C@@H](C)c1ccccc1O ZINC000183614714 625097633 /nfs/dbraw/zinc/09/76/33/625097633.db2.gz GPYAEVMHVXXERJ-ZQIUZPCESA-N 1 0 277.408 3.494 20 10 CGCDRO CCOc1ccc(O)c(C[N@H+](C)[C@@H](C)c2ccncc2)c1 ZINC000183712432 625114239 /nfs/dbraw/zinc/11/42/39/625114239.db2.gz NTWBBBGSNCKXEB-ZDUSSCGKSA-N 1 0 286.375 3.379 20 10 CGCDRO C[C@H]([NH2+]CCc1nn(C)c2ccccc12)c1ccccc1O ZINC000186477394 625874677 /nfs/dbraw/zinc/87/46/77/625874677.db2.gz VHRBLFXGTHBGHG-ZDUSSCGKSA-N 1 0 295.386 3.172 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)[C@@H]1CCCO1 ZINC000921934071 625936059 /nfs/dbraw/zinc/93/60/59/625936059.db2.gz NYZCEFFJZOKFGB-WBVHZDCISA-N 1 0 275.392 3.059 20 10 CGCDRO Oc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc3c(c1)CCCO3)CC2 ZINC000922247990 625990177 /nfs/dbraw/zinc/99/01/77/625990177.db2.gz GICCEDRWVYCUOR-SFHVURJKSA-N 1 0 295.382 3.494 20 10 CGCDRO CCc1[nH]nc(Cl)c1C[NH2+][C@H](C)c1ccccc1O ZINC000922330485 625999152 /nfs/dbraw/zinc/99/91/52/625999152.db2.gz XERUBNUOEJOQFS-SECBINFHSA-N 1 0 279.771 3.182 20 10 CGCDRO COc1cccc(C[NH2+][C@H](c2ccccn2)C2CC2)c1O ZINC000922586860 626017300 /nfs/dbraw/zinc/01/73/00/626017300.db2.gz RZLBXDRVBDZYQQ-INIZCTEOSA-N 1 0 284.359 3.037 20 10 CGCDRO C[C@@H]1COC[C@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000922643974 626023521 /nfs/dbraw/zinc/02/35/21/626023521.db2.gz YJCXUBJVXWHUKU-CXAGYDPISA-N 1 0 283.371 3.184 20 10 CGCDRO CC(C)(/C=C\Cl)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000922649035 626025087 /nfs/dbraw/zinc/02/50/87/626025087.db2.gz BKBWVYRMINMRIJ-FPLPWBNLSA-N 1 0 294.826 3.144 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)CCS1 ZINC000922841876 626055727 /nfs/dbraw/zinc/05/57/27/626055727.db2.gz DRFTWNQEXVEZMD-OCCSQVGLSA-N 1 0 264.438 3.126 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CCS[C@@H](C)C2)cc1C ZINC000922844773 626058378 /nfs/dbraw/zinc/05/83/78/626058378.db2.gz ZGRSWHVQHHFYMF-GXTWGEPZSA-N 1 0 265.422 3.377 20 10 CGCDRO CC(C)OCC[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000186639913 626065507 /nfs/dbraw/zinc/06/55/07/626065507.db2.gz ACRZEXZCMWESNA-ZDUSSCGKSA-N 1 0 277.408 3.347 20 10 CGCDRO C[C@H]([NH2+]C[C@@]1(C)CCOC1)c1cc(Cl)ccc1O ZINC000756572796 626096782 /nfs/dbraw/zinc/09/67/82/626096782.db2.gz ILINRZLXZQJWKG-IINYFYTJSA-N 1 0 269.772 3.123 20 10 CGCDRO Oc1ccccc1C[NH2+]CC[C@@H]1OCCc2ccccc21 ZINC000922964881 626111667 /nfs/dbraw/zinc/11/16/67/626111667.db2.gz UWNLIHDSXIEDNA-SFHVURJKSA-N 1 0 283.371 3.186 20 10 CGCDRO Cc1ncc(C[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)o1 ZINC000840794050 626239808 /nfs/dbraw/zinc/23/98/08/626239808.db2.gz CBUAGQSNLDCSFE-NSHDSACASA-N 1 0 286.375 3.418 20 10 CGCDRO C[C@H]([NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F)c1ccn(C)n1 ZINC000840814967 626246545 /nfs/dbraw/zinc/24/65/45/626246545.db2.gz AOGNRKKPMNZCLF-GBIKHYSHSA-N 1 0 289.354 3.164 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cnc(C2CC2)nc1 ZINC000838947681 626282026 /nfs/dbraw/zinc/28/20/26/626282026.db2.gz CKGCETNLRFAPJH-UHFFFAOYSA-N 1 0 296.418 3.018 20 10 CGCDRO COc1cccc(C[NH+]2CC(C3CCCCC3)C2)c1O ZINC000839135591 626321678 /nfs/dbraw/zinc/32/16/78/626321678.db2.gz FRKWRNSGAYUANP-UHFFFAOYSA-N 1 0 275.392 3.413 20 10 CGCDRO Cc1ccc(O)c(C[NH+]2CC(CC(F)(F)F)C2)c1 ZINC000839137288 626322366 /nfs/dbraw/zinc/32/23/66/626322366.db2.gz CSDXUBDVPWKMFM-UHFFFAOYSA-N 1 0 259.271 3.085 20 10 CGCDRO CCN(CC)c1ccc(CN[C@H](C)c2ccn(C)n2)cc1 ZINC000839190904 626328133 /nfs/dbraw/zinc/32/81/33/626328133.db2.gz KZEIQEDWJNRYTF-CQSZACIVSA-N 1 0 286.423 3.117 20 10 CGCDRO Cc1cccc(C[N@@H+](C)C[C@@H](C)C(=O)OC(C)(C)C)c1O ZINC000839192098 626328811 /nfs/dbraw/zinc/32/88/11/626328811.db2.gz INTOPGLASACYJX-CYBMUJFWSA-N 1 0 293.407 3.110 20 10 CGCDRO COc1cccc(O)c1C[N@H+](C)C[C@H](C)c1nccs1 ZINC000753597235 626457813 /nfs/dbraw/zinc/45/78/13/626457813.db2.gz XPDFMNWSFNXOLI-NSHDSACASA-N 1 0 292.404 3.093 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CC[C@H]2CCOC2)cc1 ZINC000753762561 626464863 /nfs/dbraw/zinc/46/48/63/626464863.db2.gz WDPIPTTWEVOXCU-GJZGRUSLSA-N 1 0 276.424 3.220 20 10 CGCDRO C[C@H]1C[C@H]1C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000754102009 626475488 /nfs/dbraw/zinc/47/54/88/626475488.db2.gz OOTZUPGFGDNOTK-ZFWWWQNUSA-N 1 0 258.409 3.373 20 10 CGCDRO Cc1cc(C)c(O)c(C[NH+]2CCC(OCC3CC3)CC2)c1 ZINC000754737310 626585401 /nfs/dbraw/zinc/58/54/01/626585401.db2.gz PXSGXZORKFMRDJ-UHFFFAOYSA-N 1 0 289.419 3.400 20 10 CGCDRO C[C@H](C[NH2+][C@@H](C)c1cc(F)ccc1O)N1CCCC[C@@H]1C ZINC000756409924 626702699 /nfs/dbraw/zinc/70/26/99/626702699.db2.gz CGAUWNWYLNORNE-MJBXVCDLSA-N 1 0 294.414 3.445 20 10 CGCDRO C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1cc(F)cc(F)c1[O-] ZINC000756421880 626704543 /nfs/dbraw/zinc/70/45/43/626704543.db2.gz JCKFUFQTLAIYRG-NWDGAFQWSA-N 1 0 298.377 3.053 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H](C1CC1)N(C)C)c1cc(Cl)ccc1O ZINC000756434827 626705582 /nfs/dbraw/zinc/70/55/82/626705582.db2.gz ZWSMAQQXWWIHQP-YGRLFVJLSA-N 1 0 282.815 3.036 20 10 CGCDRO C[C@H]1C[C@@H]([NH2+]Cc2nccs2)c2c1c(F)ccc2O ZINC000756444694 626706052 /nfs/dbraw/zinc/70/60/52/626706052.db2.gz WHAISAGHNSUIRJ-WCBMZHEXSA-N 1 0 278.352 3.326 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C2CCN(CC(F)F)CC2)c(O)c1 ZINC000756504479 626710620 /nfs/dbraw/zinc/71/06/20/626710620.db2.gz TWJRNLIRBSSZQO-LBPRGKRZSA-N 1 0 298.377 3.081 20 10 CGCDRO CC(C)N(C)CC[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756525516 626711962 /nfs/dbraw/zinc/71/19/62/626711962.db2.gz PSPTYSJOJRXXQZ-WCQYABFASA-N 1 0 280.387 3.009 20 10 CGCDRO Cc1ccn2cc(C[NH2+][C@@H](C)c3cc(F)ccc3O)nc2c1 ZINC000756532355 626712431 /nfs/dbraw/zinc/71/24/31/626712431.db2.gz DQJJDOQVIAMTEJ-LBPRGKRZSA-N 1 0 299.349 3.338 20 10 CGCDRO CCN(CC)C[C@H](C)[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000756535565 626713058 /nfs/dbraw/zinc/71/30/58/626713058.db2.gz RDXPSXATRODKBW-DZGCQCFKSA-N 1 0 278.440 3.390 20 10 CGCDRO CC[C@H](C)[C@H](O)C[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000756576378 626717012 /nfs/dbraw/zinc/71/70/12/626717012.db2.gz TWXZJVAZYXTUEN-VZJVUDMVSA-N 1 0 265.397 3.067 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C)c2c1c(F)ccc2O ZINC000756590535 626718646 /nfs/dbraw/zinc/71/86/46/626718646.db2.gz OATXPIADEUITHN-NTZNESFSSA-N 1 0 295.398 3.466 20 10 CGCDRO CCc1cc(C[NH2+][C@@H](C)c2cc(C)ccc2O)on1 ZINC000756603491 626719898 /nfs/dbraw/zinc/71/98/98/626719898.db2.gz CNEZTKCZYCXJCM-NSHDSACASA-N 1 0 260.337 3.102 20 10 CGCDRO C[C@@H]([NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)[C@@H]1CCOC1 ZINC000756613362 626720558 /nfs/dbraw/zinc/72/05/58/626720558.db2.gz PADYAVOCKRQOQP-UZWSLXQKSA-N 1 0 279.355 3.094 20 10 CGCDRO CC[C@H](C[C@H](C)CO)[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756624127 626721040 /nfs/dbraw/zinc/72/10/40/626721040.db2.gz DJOXGCCESFNWMP-SFTQSGBHSA-N 1 0 295.398 3.466 20 10 CGCDRO CO[C@]1(C)C[C@H]([NH2+][C@H](C)c2cc(F)ccc2O)C1(C)C ZINC000756629176 626721769 /nfs/dbraw/zinc/72/17/69/626721769.db2.gz ZUOUFZLIGVXMSV-FUEDEBDSSA-N 1 0 281.371 3.386 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C2CCC(C)(O)CC2)c(O)c1C ZINC000756635843 626722896 /nfs/dbraw/zinc/72/28/96/626722896.db2.gz UDNBZNJWKVZAMG-TUBUQKNSSA-N 1 0 277.408 3.353 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](CO)c2ccccc2C)c1 ZINC000756638003 626723521 /nfs/dbraw/zinc/72/35/21/626723521.db2.gz PUWMHOAORGPBGI-YOEHRIQHSA-N 1 0 285.387 3.393 20 10 CGCDRO COC(C)(C)C[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756647371 626724309 /nfs/dbraw/zinc/72/43/09/626724309.db2.gz TVIPBMMEYLHUIN-GXSJLCMTSA-N 1 0 267.344 3.094 20 10 CGCDRO CSc1cc(C[NH2+][C@H](C)c2cc(F)ccc2O)ccn1 ZINC000756663222 626725212 /nfs/dbraw/zinc/72/52/12/626725212.db2.gz HJSPZXGVLHTSBB-SNVBAGLBSA-N 1 0 292.379 3.499 20 10 CGCDRO C[C@H]([NH2+][C@@H](CO)c1cccc(F)c1)c1cc(F)ccc1O ZINC000756713111 626727075 /nfs/dbraw/zinc/72/70/75/626727075.db2.gz UIMZZOWDJQPCHN-BONVTDFDSA-N 1 0 293.313 3.055 20 10 CGCDRO C[C@@H]([NH2+][C@H](CO)c1cccc(F)c1)c1cc(F)ccc1O ZINC000756713112 626727197 /nfs/dbraw/zinc/72/71/97/626727197.db2.gz UIMZZOWDJQPCHN-MEBBXXQBSA-N 1 0 293.313 3.055 20 10 CGCDRO Cc1cnccc1CC[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000756769868 626730681 /nfs/dbraw/zinc/73/06/81/626730681.db2.gz OUYJXUMLAGVACQ-LBPRGKRZSA-N 1 0 274.339 3.128 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc[nH]1)c1cc(F)cc(F)c1[O-] ZINC000756784453 626732165 /nfs/dbraw/zinc/73/21/65/626732165.db2.gz NLITVJYYRRXMJA-BDAKNGLRSA-N 1 0 266.291 3.410 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C2CC(OC(C)(C)C)C2)c1 ZINC000757662506 626798876 /nfs/dbraw/zinc/79/88/76/626798876.db2.gz GMNYYHDODARYAI-LKSINWNRSA-N 1 0 293.407 3.398 20 10 CGCDRO CCOc1ccc(C[NH2+][C@H](C)c2cccc(O)c2)c(O)c1 ZINC000758542800 626848347 /nfs/dbraw/zinc/84/83/47/626848347.db2.gz DCRCJPRVKAQAER-GFCCVEGCSA-N 1 0 287.359 3.347 20 10 CGCDRO Oc1ccccc1C[NH2+][C@H](c1cccnc1)C1CC1 ZINC000758630669 626852008 /nfs/dbraw/zinc/85/20/08/626852008.db2.gz IABCIKZQNTUSGK-INIZCTEOSA-N 1 0 254.333 3.028 20 10 CGCDRO CCC[N@H+](CCN(CC)CC)Cc1cccc(C)c1O ZINC000764677284 627217690 /nfs/dbraw/zinc/21/76/90/627217690.db2.gz HXKZJBQXHIYYNP-UHFFFAOYSA-N 1 0 278.440 3.254 20 10 CGCDRO CCC1(CC)[C@H]([NH2+]Cc2cc(C)ccc2O)C[C@H]1OC ZINC000765262524 627244015 /nfs/dbraw/zinc/24/40/15/627244015.db2.gz QKXRUNDSPKCTOJ-HZPDHXFCSA-N 1 0 277.408 3.384 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCN(C3CC3)C2)cc1 ZINC000765780719 627270390 /nfs/dbraw/zinc/27/03/90/627270390.db2.gz KOCGFMSKWSWKQL-HOCLYGCPSA-N 1 0 287.451 3.030 20 10 CGCDRO CO[C@@H](C)[C@H](C)[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000765871225 627276409 /nfs/dbraw/zinc/27/64/09/627276409.db2.gz CWZHLUTVXIXOJK-HOTGVXAUSA-N 1 0 290.451 3.436 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCN2CCC[C@H]2C)cc1 ZINC000766273540 627311640 /nfs/dbraw/zinc/31/16/40/627311640.db2.gz QGQIQUOVBAPMNH-CVEARBPZSA-N 1 0 289.467 3.278 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H]2CCc3cc(O)ccc3C2)c1 ZINC000767727552 627432849 /nfs/dbraw/zinc/43/28/49/627432849.db2.gz KJJLDFWCOAXAEF-INIZCTEOSA-N 1 0 283.371 3.053 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CC3CCC2CC3)c1 ZINC000767928859 627444976 /nfs/dbraw/zinc/44/49/76/627444976.db2.gz KKELBBQDLZPWAW-SEEARECTSA-N 1 0 275.392 3.459 20 10 CGCDRO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cc(C)c(C)cc1O ZINC000768172915 627465796 /nfs/dbraw/zinc/46/57/96/627465796.db2.gz RSCQIELROQMATJ-DZGCQCFKSA-N 1 0 263.381 3.008 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H]2c2ccccn2)c1 ZINC000768360337 627475609 /nfs/dbraw/zinc/47/56/09/627475609.db2.gz NEMCXJVWDLOEKZ-MRXNPFEDSA-N 1 0 268.360 3.433 20 10 CGCDRO CCCC[N@H+](Cc1cc2c(cc1O)OC[C@H]2O)[C@H](C)CC ZINC000768439078 627479930 /nfs/dbraw/zinc/47/99/30/627479930.db2.gz GNDQWMJXMPJTRB-MLGOLLRUSA-N 1 0 293.407 3.219 20 10 CGCDRO COc1cccc(O)c1C[N@H+](C)[C@@H](C)C(C)(C)C ZINC000768544105 627485838 /nfs/dbraw/zinc/48/58/38/627485838.db2.gz PFHRFAFRHFYKKS-NSHDSACASA-N 1 0 251.370 3.267 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+](Cc2ccccc2)C[C@@H](C)O)c1 ZINC000768893893 627507064 /nfs/dbraw/zinc/50/70/64/627507064.db2.gz UPCNQWDSMYTCFN-OAHLLOKOSA-N 1 0 285.387 3.084 20 10 CGCDRO CC[C@@H]1CCC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000769010899 627516705 /nfs/dbraw/zinc/51/67/05/627516705.db2.gz XEQCLXXOFKZVMG-CYBMUJFWSA-N 1 0 250.361 3.266 20 10 CGCDRO CCOc1cccc(C[N@H+](C)C2Cc3ccccc3C2)c1O ZINC000769032853 627518907 /nfs/dbraw/zinc/51/89/07/627518907.db2.gz HIHNZNHTOGKWJV-UHFFFAOYSA-N 1 0 297.398 3.390 20 10 CGCDRO COc1cccc(O)c1C[NH+]1CCC(c2ccccn2)CC1 ZINC000769104038 627522726 /nfs/dbraw/zinc/52/27/26/627522726.db2.gz GVRGLJJQOYYVHB-UHFFFAOYSA-N 1 0 298.386 3.175 20 10 CGCDRO CCOc1ccc(C[N@H+](C)Cc2scnc2C)c(O)c1 ZINC000769320673 627540613 /nfs/dbraw/zinc/54/06/13/627540613.db2.gz UBQMNGGAMDMMAT-UHFFFAOYSA-N 1 0 292.404 3.188 20 10 CGCDRO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000769448546 627553603 /nfs/dbraw/zinc/55/36/03/627553603.db2.gz ULERGGPDSMODHS-DOTOQJQBSA-N 1 0 288.435 3.144 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H](CO)c2ccsc2)c(O)c1C ZINC000769983992 627594929 /nfs/dbraw/zinc/59/49/29/627594929.db2.gz CAFSFVRGGAOOGT-IUODEOHRSA-N 1 0 291.416 3.455 20 10 CGCDRO Oc1ccccc1CN1CCc2c(F)cc(F)cc2C1 ZINC000770506138 627623490 /nfs/dbraw/zinc/62/34/90/627623490.db2.gz USLWBWJNZHROKH-UHFFFAOYSA-N 1 0 275.298 3.229 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc(F)cn1 ZINC000771382288 627705462 /nfs/dbraw/zinc/70/54/62/627705462.db2.gz JVXKASRASJGWSH-LLVKDONJSA-N 1 0 272.323 3.006 20 10 CGCDRO CCOC[C@H]1CC[N@H+](Cc2ccc(N(C)CC)cc2)C1 ZINC000773753904 627911601 /nfs/dbraw/zinc/91/16/01/627911601.db2.gz IQGLGESMZYDZHF-INIZCTEOSA-N 1 0 276.424 3.001 20 10 CGCDRO CCN(C)c1ccc(C[NH+]2CCC(C)(OC)CC2)cc1 ZINC000773809982 627916548 /nfs/dbraw/zinc/91/65/48/627916548.db2.gz GFBNUXJZXAFTTA-UHFFFAOYSA-N 1 0 276.424 3.144 20 10 CGCDRO C[C@@H]([NH2+]Cc1cccc2c1OCCO2)c1ccccc1O ZINC000775131152 628066249 /nfs/dbraw/zinc/06/62/49/628066249.db2.gz SFRLDFGIYFUJTD-GFCCVEGCSA-N 1 0 285.343 3.014 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](CO)C(C)(C)C)cc1F ZINC000775198604 628071935 /nfs/dbraw/zinc/07/19/35/628071935.db2.gz AHFMOOYXJQZLMB-INIZCTEOSA-N 1 0 296.430 3.169 20 10 CGCDRO CCOc1cccc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000775365765 628086060 /nfs/dbraw/zinc/08/60/60/628086060.db2.gz WXHASYAFLBAYIW-CQSZACIVSA-N 1 0 299.418 3.397 20 10 CGCDRO CC[C@@H]([NH2+]CCN1CCCC1)c1cc(Cl)ccc1O ZINC000775485590 628099702 /nfs/dbraw/zinc/09/97/02/628099702.db2.gz XJFTVUUJDAODKS-CQSZACIVSA-N 1 0 282.815 3.182 20 10 CGCDRO CC[C@H]([NH2+]C[C@@](C)(O)C(C)C)c1cc(Cl)ccc1O ZINC000775503674 628102002 /nfs/dbraw/zinc/10/20/02/628102002.db2.gz MDUTYFYBVYXSSD-DZGCQCFKSA-N 1 0 285.815 3.493 20 10 CGCDRO CC[C@@H]([NH2+]CCN1CC[C@H](C)C1)c1cc(Cl)ccc1O ZINC000775513671 628102628 /nfs/dbraw/zinc/10/26/28/628102628.db2.gz RSKFEPDQYRCNMJ-SWLSCSKDSA-N 1 0 296.842 3.428 20 10 CGCDRO Cc1cc(Cl)cc(CN2CC[NH+](C3CCC3)CC2)c1O ZINC000775700679 628127657 /nfs/dbraw/zinc/12/76/57/628127657.db2.gz HGIXGUWARIFPHQ-UHFFFAOYSA-N 1 0 294.826 3.024 20 10 CGCDRO COc1cc(O)c(C[NH+]2C3CCCC2CCC3)cc1OC ZINC000775719048 628129269 /nfs/dbraw/zinc/12/92/69/628129269.db2.gz AJYCXWTYIYIQJL-UHFFFAOYSA-N 1 0 291.391 3.316 20 10 CGCDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)C1(C)C ZINC000776167038 628174436 /nfs/dbraw/zinc/17/44/36/628174436.db2.gz JLHPNKHTJBPLIZ-DLTLXFJOSA-N 1 0 290.451 3.463 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)c1O ZINC000776257613 628186039 /nfs/dbraw/zinc/18/60/39/628186039.db2.gz ZANYHVMEGPIKHN-UMVBOHGHSA-N 1 0 295.473 3.170 20 10 CGCDRO CC(C)[C@@H]1C[N@H+](Cc2cc3c(cc2O)CCCC3)CCO1 ZINC000777968332 628317070 /nfs/dbraw/zinc/31/70/70/628317070.db2.gz IZGXRUJLLTXLJV-SFHVURJKSA-N 1 0 289.419 3.128 20 10 CGCDRO C[C@H]1CC[N@H+](Cc2cc3c(cc2O)CCCC3)C[C@H]1F ZINC000777965494 628317098 /nfs/dbraw/zinc/31/70/98/628317098.db2.gz WWJVYIRTJAKYMR-BLLLJJGKSA-N 1 0 277.383 3.451 20 10 CGCDRO Oc1ccc(F)cc1C[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000779026981 628384290 /nfs/dbraw/zinc/38/42/90/628384290.db2.gz NXTKMTDFWUACIH-UHFFFAOYSA-N 1 0 297.333 3.007 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCn3ccnc3C2)cc1 ZINC000779066360 628386804 /nfs/dbraw/zinc/38/68/04/628386804.db2.gz QRSMZYWMWXQRRT-GOEBONIOSA-N 1 0 298.434 3.005 20 10 CGCDRO CCOC[C@H](C)[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000779075210 628387317 /nfs/dbraw/zinc/38/73/17/628387317.db2.gz WUQBGSGMGZNMLE-WCQYABFASA-N 1 0 251.370 3.085 20 10 CGCDRO CC(C)CCC[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000779214737 628394816 /nfs/dbraw/zinc/39/48/16/628394816.db2.gz FQQUIIAPTONRPV-UHFFFAOYSA-N 1 0 290.451 3.391 20 10 CGCDRO COC(=O)CC1([NH2+]Cc2cccc(C)c2O)CCCCC1 ZINC000779431793 628413293 /nfs/dbraw/zinc/41/32/93/628413293.db2.gz FCANFNKBLYYICR-UHFFFAOYSA-N 1 0 291.391 3.056 20 10 CGCDRO CN(C)c1ccc(C[N@H+](CCOC2CCC2)C2CC2)cc1 ZINC000805734464 628664483 /nfs/dbraw/zinc/66/44/83/628664483.db2.gz TVHCKAFTZIWKSF-UHFFFAOYSA-N 1 0 288.435 3.286 20 10 CGCDRO C[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000783220263 628688925 /nfs/dbraw/zinc/68/89/25/628688925.db2.gz BWBYUJMMIISXMJ-CJNGLKHVSA-N 1 0 276.449 3.128 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H](Cc1ccccc1)N(C)C)c1ccccc1O ZINC000783490324 628717563 /nfs/dbraw/zinc/71/75/63/628717563.db2.gz JGMYWDAFZNYMBJ-NVXWUHKLSA-N 1 0 298.430 3.216 20 10 CGCDRO C[C@@H]([NH2+]C[C@@]1(O)CCCc2ccccc21)c1ccccc1O ZINC000783511050 628719419 /nfs/dbraw/zinc/71/94/19/628719419.db2.gz WVKGUAJLOLYPNT-KUHUBIRLSA-N 1 0 297.398 3.267 20 10 CGCDRO COC1CCC(C[NH2+][C@H](C)c2ccccc2O)CC1 ZINC000783520413 628720575 /nfs/dbraw/zinc/72/05/75/628720575.db2.gz PXEFSRLKZNJNCK-IYXRBSQSSA-N 1 0 263.381 3.248 20 10 CGCDRO C[C@@H]1C[C@@H](CC[NH2+]Cc2cc(Cl)ccc2O)CCO1 ZINC000784643678 628827194 /nfs/dbraw/zinc/82/71/94/628827194.db2.gz NRFQYZMATKPUGL-NEPJUHHUSA-N 1 0 283.799 3.340 20 10 CGCDRO CO[C@@H](CC[NH2+][C@@H](C)c1ccc(C)cc1O)C(F)(F)F ZINC000786950342 628972486 /nfs/dbraw/zinc/97/24/86/628972486.db2.gz OHCRUDIBSHVAEV-GWCFXTLKSA-N 1 0 291.313 3.319 20 10 CGCDRO CO[C@@H](CC[NH2+][C@H](C)c1cc(C)ccc1O)C(F)(F)F ZINC000786954575 628972499 /nfs/dbraw/zinc/97/24/99/628972499.db2.gz STGWREKZJRJRNT-MFKMUULPSA-N 1 0 291.313 3.319 20 10 CGCDRO Cc1cc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)sn1 ZINC000788442652 629053108 /nfs/dbraw/zinc/05/31/08/629053108.db2.gz HJWDZHPMHAUCTB-UHFFFAOYSA-N 1 0 275.421 3.150 20 10 CGCDRO COc1ccc(C[NH2+]CC2(CO)CC3(CCC3)C2)cc1C ZINC000788530340 629062320 /nfs/dbraw/zinc/06/23/20/629062320.db2.gz YGARBEZFKJQCSX-UHFFFAOYSA-N 1 0 289.419 3.036 20 10 CGCDRO CC[C@@H]([NH2+]CCC[C@@H](C)O)c1cc(Cl)ccc1O ZINC000788604854 629067177 /nfs/dbraw/zinc/06/71/77/629067177.db2.gz MWFDSPIGRYZNSD-ZWNOBZJWSA-N 1 0 271.788 3.247 20 10 CGCDRO Cc1ccc(C[N@@H+](C)Cc2cc(Cl)ccc2O)nc1 ZINC000789594282 629149339 /nfs/dbraw/zinc/14/93/39/629149339.db2.gz HKZDLLFABHAZAA-UHFFFAOYSA-N 1 0 276.767 3.381 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CCSC(C)(C)CC1 ZINC000789763587 629166622 /nfs/dbraw/zinc/16/66/22/629166622.db2.gz LVBTWQKEGJOFNQ-UHFFFAOYSA-N 1 0 281.421 3.118 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccnc(F)c2C)c1 ZINC000862369755 629353957 /nfs/dbraw/zinc/35/39/57/629353957.db2.gz XEZJCYDOZMGKHF-LLVKDONJSA-N 1 0 290.338 3.094 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)CC2(F)CC2)cc1 ZINC000792774428 629380658 /nfs/dbraw/zinc/38/06/58/629380658.db2.gz TWNLWZGEVCLNHM-UHFFFAOYSA-N 1 0 264.388 3.467 20 10 CGCDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000862473525 629383318 /nfs/dbraw/zinc/38/33/18/629383318.db2.gz UEYBRDWLDGKCRX-OLZOCXBDSA-N 1 0 267.369 3.001 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCC[C@](O)(c3ccccc3)C2)c1O ZINC000862483151 629385873 /nfs/dbraw/zinc/38/58/73/629385873.db2.gz PKNIVPLXFRHQBB-LJQANCHMSA-N 1 0 297.398 3.184 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2[C@H](C)O[C@H](C)[C@H]2C)cc1Cl ZINC000862516885 629390578 /nfs/dbraw/zinc/39/05/78/629390578.db2.gz ANIUTYZCCZROFV-OZWUEAAUSA-N 1 0 283.799 3.256 20 10 CGCDRO CO[C@H]1CCC[C@H]([NH2+]Cc2ccc3c(c2)CCCN3C)C1 ZINC000792942057 629396612 /nfs/dbraw/zinc/39/66/12/629396612.db2.gz IWIXWPIYIQODSO-IRXDYDNUSA-N 1 0 288.435 3.116 20 10 CGCDRO CCOc1ccc(C[NH2+]C[C@H]2CC[C@@H](C)C2)c(O)c1 ZINC000793347249 629445859 /nfs/dbraw/zinc/44/58/59/629445859.db2.gz RFWQFMBPTWRFBC-OLZOCXBDSA-N 1 0 263.381 3.317 20 10 CGCDRO COc1cccc(C[N@H+](C)[C@H]2CCC(C)(C)C2)c1O ZINC000793351163 629446729 /nfs/dbraw/zinc/44/67/29/629446729.db2.gz GMAHQSKZOOGOPN-ZDUSSCGKSA-N 1 0 263.381 3.411 20 10 CGCDRO COc1ccc(C[NH2+]Cc2cc(C)ccc2F)c(O)c1 ZINC000793389033 629453240 /nfs/dbraw/zinc/45/32/40/629453240.db2.gz TVFJBTVLAZFKLR-UHFFFAOYSA-N 1 0 275.323 3.138 20 10 CGCDRO Cc1cnc([C@@H](C)[NH2+][C@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000793906998 629507590 /nfs/dbraw/zinc/50/75/90/629507590.db2.gz JOSAYMYUQDNLBY-ZIAGYGMSSA-N 1 0 284.407 3.263 20 10 CGCDRO CCCCN(C)CC[NH2+][C@@H](CC)c1ccc(C)cc1O ZINC000794804418 629579726 /nfs/dbraw/zinc/57/97/26/629579726.db2.gz DVLFQEAXRIIYIP-INIZCTEOSA-N 1 0 278.440 3.473 20 10 CGCDRO CCN(CC)[C@H](C)C[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000794829067 629583215 /nfs/dbraw/zinc/58/32/15/629583215.db2.gz DKDDNCDDEKAKCI-UKRRQHHQSA-N 1 0 278.440 3.390 20 10 CGCDRO Oc1ccccc1CNc1cc[nH+]c2c(O)cccc12 ZINC000795081847 629631498 /nfs/dbraw/zinc/63/14/98/629631498.db2.gz UERXATZMLCLCCF-UHFFFAOYSA-N 1 0 266.300 3.258 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CC2(C(F)(F)F)CC2)cc1F ZINC000796492492 629790056 /nfs/dbraw/zinc/79/00/56/629790056.db2.gz ZXWFNMQYDXVJKB-UHFFFAOYSA-N 1 0 290.304 3.324 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(F)cc1[O-] ZINC000796799578 629836093 /nfs/dbraw/zinc/83/60/93/629836093.db2.gz RHXRWRQONUUZFS-LZWOXQAQSA-N 1 0 294.414 3.445 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@H]2CC[C@H]2C2CC2)cc1F ZINC000797906112 630000765 /nfs/dbraw/zinc/00/07/65/630000765.db2.gz WITOKAFZOBGRHF-ZFWWWQNUSA-N 1 0 262.372 3.170 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](c3ccccn3)C2)c1O ZINC000798964702 630130217 /nfs/dbraw/zinc/13/02/17/630130217.db2.gz MPXXENMVKBLCEW-CQSZACIVSA-N 1 0 298.386 3.175 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000798965016 630130843 /nfs/dbraw/zinc/13/08/43/630130843.db2.gz OPGBDCHSRJVZQE-LBPRGKRZSA-N 1 0 288.778 3.430 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2cc(C)ccc2O)c(F)c1 ZINC000865640152 630243600 /nfs/dbraw/zinc/24/36/00/630243600.db2.gz DQJRDSHPEIVWTP-UHFFFAOYSA-N 1 0 259.324 3.438 20 10 CGCDRO Cc1cc([C@@H](C)[NH2+]CCCSc2nccs2)nn1C ZINC000800479966 630284841 /nfs/dbraw/zinc/28/48/41/630284841.db2.gz LFQGMUGCUFHRLI-LLVKDONJSA-N 1 0 296.465 3.018 20 10 CGCDRO Cc1cc(Cl)cc(C[NH+]2CC(C3CCOCC3)C2)c1O ZINC000800531341 630291621 /nfs/dbraw/zinc/29/16/21/630291621.db2.gz CQWQGQJQBADSGK-UHFFFAOYSA-N 1 0 295.810 3.212 20 10 CGCDRO Oc1ccc(Br)cc1C[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000800890901 630309362 /nfs/dbraw/zinc/30/93/62/630309362.db2.gz YDGAGQITFSXNAC-BIMULSAOSA-N 1 0 296.208 3.433 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000802653997 630403091 /nfs/dbraw/zinc/40/30/91/630403091.db2.gz BWSYZSVLZHCLRT-OAHLLOKOSA-N 1 0 287.334 3.015 20 10 CGCDRO CCOCc1cc(C[NH2+]Cc2ccc(C)o2)ccc1OC ZINC000865724107 630476364 /nfs/dbraw/zinc/47/63/64/630476364.db2.gz HGOHQHPVNLQZAY-UHFFFAOYSA-N 1 0 289.375 3.423 20 10 CGCDRO CCOc1ccc(C[NH2+]C[C@H]2CCCSC2)c(O)c1 ZINC000808431324 630644452 /nfs/dbraw/zinc/64/44/52/630644452.db2.gz QRZCVEOIPOFBGL-GFCCVEGCSA-N 1 0 281.421 3.024 20 10 CGCDRO COC[C@@H](C)C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808679981 630663667 /nfs/dbraw/zinc/66/36/67/630663667.db2.gz AJMKTJXCXPVRBT-ONGXEEELSA-N 1 0 271.788 3.287 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCOCC2CC2)c1O ZINC000808693794 630664947 /nfs/dbraw/zinc/66/49/47/630664947.db2.gz PUXVMSJXTJUUEJ-LLVKDONJSA-N 1 0 283.799 3.431 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](CO)CC2CC2)c1O ZINC000808709484 630668331 /nfs/dbraw/zinc/66/83/31/630668331.db2.gz WSTBDKZJKIRSGA-GXFFZTMASA-N 1 0 283.799 3.166 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2C[C@H](O)C2(C)C)c1O ZINC000808712713 630668745 /nfs/dbraw/zinc/66/87/45/630668745.db2.gz ANLLPDLULGMYJM-XDTLVQLUSA-N 1 0 283.799 3.164 20 10 CGCDRO CO[C@@H](C)C[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808715077 630669864 /nfs/dbraw/zinc/66/98/64/630669864.db2.gz HZIGZKPKSZYVQI-VHSXEESVSA-N 1 0 257.761 3.040 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CC[C@@H]2CCOC2)c1O ZINC000808714036 630669888 /nfs/dbraw/zinc/66/98/88/630669888.db2.gz RNPBSUBZJKUVMZ-VXGBXAGGSA-N 1 0 283.799 3.431 20 10 CGCDRO COc1ccc(C[NH2+]Cc2ccc3occc3c2)c(O)c1 ZINC000809658150 630777451 /nfs/dbraw/zinc/77/74/51/630777451.db2.gz GABILTVLLNFLJG-UHFFFAOYSA-N 1 0 283.327 3.437 20 10 CGCDRO CC[N@H+](Cc1ccncc1)Cc1ccc(N(C)C)c(F)c1 ZINC000809727321 630793903 /nfs/dbraw/zinc/79/39/03/630793903.db2.gz WFNLZUXVHZYKRI-UHFFFAOYSA-N 1 0 287.382 3.309 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C[C@H]2CC(C)=C[C@H](C)C2)c1 ZINC000810145013 630846089 /nfs/dbraw/zinc/84/60/89/630846089.db2.gz OTPVKVLQVUSLCB-GXTWGEPZSA-N 1 0 275.392 3.483 20 10 CGCDRO CC[C@H]([NH2+]CC(C)(C)O)c1ccc(C(F)(F)F)cc1O ZINC000810218260 630855038 /nfs/dbraw/zinc/85/50/38/630855038.db2.gz RGORVYYVEOLGBX-NSHDSACASA-N 1 0 291.313 3.223 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H](CO)C2CCCC2)cc1 ZINC000810259371 630861561 /nfs/dbraw/zinc/86/15/61/630861561.db2.gz HYUWVCHPOOCQCY-KBXCAEBGSA-N 1 0 290.451 3.344 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H](CC)OC)c1ccc(N(C)C)cc1 ZINC000810260205 630861596 /nfs/dbraw/zinc/86/15/96/630861596.db2.gz GWNYKOFXHMGXQP-JKSUJKDBSA-N 1 0 264.413 3.218 20 10 CGCDRO CC[N@H+](Cc1cc(C(C)C)c(C)cc1O)[C@@H]1CCOC1 ZINC000812296101 631236482 /nfs/dbraw/zinc/23/64/82/631236482.db2.gz MYYXXWZLIAKHPJ-OAHLLOKOSA-N 1 0 277.408 3.435 20 10 CGCDRO CO[C@@](C)(C[NH2+]Cc1cc(Cl)cc(C)c1O)C1CC1 ZINC000812772987 631305983 /nfs/dbraw/zinc/30/59/83/631305983.db2.gz UMXIEOBWDRCCNI-HNNXBMFYSA-N 1 0 283.799 3.259 20 10 CGCDRO C[C@H]([NH2+][C@@H]1C[C@H](C)[C@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000813854913 631470566 /nfs/dbraw/zinc/47/05/66/631470566.db2.gz ICJOHOQCSVUQNT-JTOWHCCKSA-N 1 0 288.435 3.218 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H](C(C)C)C2(CO)CCC2)cc1C ZINC000814170334 631537265 /nfs/dbraw/zinc/53/72/65/631537265.db2.gz VPZBZGTUOPRCOO-QGZVFWFLSA-N 1 0 291.435 3.286 20 10 CGCDRO Cc1cc(C[N@H+](C)C[C@@H]2CCCCO2)ccc1N(C)C ZINC000815020565 631705477 /nfs/dbraw/zinc/70/54/77/631705477.db2.gz BJXVPRMWKCILOP-INIZCTEOSA-N 1 0 276.424 3.062 20 10 CGCDRO Cc1cc(C[NH2+][C@]2(C)CCO[C@H]2C2CC2)ccc1N(C)C ZINC000815088426 631714184 /nfs/dbraw/zinc/71/41/84/631714184.db2.gz DJNSICFZZLZIDC-ZWKOTPCHSA-N 1 0 288.435 3.108 20 10 CGCDRO Cc1cc(C[NH2+][C@H](CO)C2CCCCC2)ccc1N(C)C ZINC000815086786 631714280 /nfs/dbraw/zinc/71/42/80/631714280.db2.gz OPIHKJOAIGXGTO-QGZVFWFLSA-N 1 0 290.451 3.092 20 10 CGCDRO COC[C@@H]1CCCC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000815095482 631715970 /nfs/dbraw/zinc/71/59/70/631715970.db2.gz WTGVPHTYVUXPIE-QGZVFWFLSA-N 1 0 290.451 3.310 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2C[C@H](C)O)cc1 ZINC000815103329 631717279 /nfs/dbraw/zinc/71/72/79/631717279.db2.gz PCVFGQMABQTBGO-MAUKXSAKSA-N 1 0 290.451 3.268 20 10 CGCDRO COCC[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000815552950 631794262 /nfs/dbraw/zinc/79/42/62/631794262.db2.gz OCDRGOSWPZSRDP-KRWDZBQOSA-N 1 0 285.387 3.302 20 10 CGCDRO CCN(CC[NH2+][C@H](C)c1c(C)cc(C)cc1O)C1CC1 ZINC000815573535 631797751 /nfs/dbraw/zinc/79/77/51/631797751.db2.gz MROXXDFVLLTNMN-CQSZACIVSA-N 1 0 276.424 3.144 20 10 CGCDRO CCc1cc(C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)[nH]n1 ZINC000815580877 631799730 /nfs/dbraw/zinc/79/97/30/631799730.db2.gz SIMOFOHVUDCNMV-LBPRGKRZSA-N 1 0 273.380 3.145 20 10 CGCDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc3ccccc3c2O)CCN1C ZINC000816554827 632010434 /nfs/dbraw/zinc/01/04/34/632010434.db2.gz JWHWPWLLWWVBAJ-BBRMVZONSA-N 1 0 284.403 3.118 20 10 CGCDRO Oc1c(C[NH2+]Cc2ncccc2F)ccc2ccccc21 ZINC000816558389 632011563 /nfs/dbraw/zinc/01/15/63/632011563.db2.gz WZRBCZJGFFOWFV-UHFFFAOYSA-N 1 0 282.318 3.369 20 10 CGCDRO Cc1cccc(CN2CC[N@@H+](C)Cc3ccccc32)c1O ZINC000816617689 632025314 /nfs/dbraw/zinc/02/53/14/632025314.db2.gz GGZSJTKEXMCPNA-UHFFFAOYSA-N 1 0 282.387 3.153 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](CCO)CC2)c(Cl)c1 ZINC000817419364 632146678 /nfs/dbraw/zinc/14/66/78/632146678.db2.gz USAPTYRIRICIQV-CYBMUJFWSA-N 1 0 297.826 3.339 20 10 CGCDRO c1cnc2c(c1)CC[C@H]([NH2+]Cc1ccc3c(c1)CCO3)CC2 ZINC000817573648 632186186 /nfs/dbraw/zinc/18/61/86/632186186.db2.gz GTPHEIJHISTART-KRWDZBQOSA-N 1 0 294.398 3.054 20 10 CGCDRO CC[C@H]([NH2+]CC1([NH3+])CCCCC1)c1ccc(F)cc1[O-] ZINC000817938205 632237352 /nfs/dbraw/zinc/23/73/52/632237352.db2.gz GUHKCQFMTBNTIB-AWEZNQCLSA-N 1 0 280.387 3.234 20 10 CGCDRO Cc1cccc([C@H](C)[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)c1 ZINC000817939111 632239495 /nfs/dbraw/zinc/23/94/95/632239495.db2.gz ZCUFEGBJNYZGJY-KXBFYZLASA-N 1 0 297.446 3.412 20 10 CGCDRO CC[NH2+]CCC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817942667 632242504 /nfs/dbraw/zinc/24/25/04/632242504.db2.gz CKSQZMJVQLOVHR-VIFPVBQESA-N 1 0 291.222 3.349 20 10 CGCDRO C[C@H](NC[C@H]1CCC[NH2+]1)c1ccc(N2CCCCC2)cc1 ZINC000817951232 632247920 /nfs/dbraw/zinc/24/79/20/632247920.db2.gz CDPALDPDSNCTPN-DOTOQJQBSA-N 1 0 287.451 3.080 20 10 CGCDRO Nc1ccc(CC[NH2+][C@H]2CCc3c2c(F)ccc3F)cc1 ZINC000817956370 632251312 /nfs/dbraw/zinc/25/13/12/632251312.db2.gz XNSCCHIAPDNAFX-INIZCTEOSA-N 1 0 288.341 3.367 20 10 CGCDRO CCC[NH2+]CCN[C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000817962456 632257368 /nfs/dbraw/zinc/25/73/68/632257368.db2.gz MOAORZADDAXLLF-INIZCTEOSA-N 1 0 289.467 3.327 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)c1ccc(F)cc1[O-] ZINC000817963520 632258617 /nfs/dbraw/zinc/25/86/17/632258617.db2.gz TWQIZQRAXTYSOW-NWDGAFQWSA-N 1 0 288.366 3.402 20 10 CGCDRO CCCC[C@H](CN)[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000817963191 632259227 /nfs/dbraw/zinc/25/92/27/632259227.db2.gz SDICMHIEJTZTEI-DMDPSCGWSA-N 1 0 280.387 3.187 20 10 CGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)[C@@H]3C[C@@H]3C)C2)cc1 ZINC000818222183 632298882 /nfs/dbraw/zinc/29/88/82/632298882.db2.gz QVCCHRAYUDWJTG-LUXYFRNMSA-N 1 0 288.435 3.156 20 10 CGCDRO CC(C)(C)OC(=O)C(C)(C)CC[NH2+]Cc1ccccc1O ZINC000818228796 632300378 /nfs/dbraw/zinc/30/03/78/632300378.db2.gz YGAFINXSGOJBML-UHFFFAOYSA-N 1 0 293.407 3.240 20 10 CGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CCC3(C)C)C2)cc1 ZINC000818342698 632310944 /nfs/dbraw/zinc/31/09/44/632310944.db2.gz USGIARISORIETD-PBHICJAKSA-N 1 0 288.435 3.300 20 10 CGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H]3CCC3(C)C)C2)cc1 ZINC000818342700 632311200 /nfs/dbraw/zinc/31/12/00/632311200.db2.gz USGIARISORIETD-WMLDXEAASA-N 1 0 288.435 3.300 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CC12CC2)c1cc2c(cc1O)CCCC2 ZINC000818357318 632314750 /nfs/dbraw/zinc/31/47/50/632314750.db2.gz ZFCBJVKGCNXULP-BDJLRTHQSA-N 1 0 257.377 3.474 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H](C2CCC2)[C@@H]2CCOC2)cc1C ZINC000865761912 632883749 /nfs/dbraw/zinc/88/37/49/632883749.db2.gz JYWSDJKPVGZDHV-CRAIPNDOSA-N 1 0 289.419 3.304 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)c1O ZINC000822539220 632966344 /nfs/dbraw/zinc/96/63/44/632966344.db2.gz GJTBDGXETZHJEO-DDFAGTSDSA-N 1 0 251.757 3.242 20 10 CGCDRO C[C@@H]([NH2+]CC(C)(C)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000866408394 633126027 /nfs/dbraw/zinc/12/60/27/633126027.db2.gz LHALCVVFQAOGNI-GFCCVEGCSA-N 1 0 298.377 3.061 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccncc2F)cc1 ZINC000823671644 633134727 /nfs/dbraw/zinc/13/47/27/633134727.db2.gz RIKBWMPCQLRNHW-UHFFFAOYSA-N 1 0 287.382 3.357 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000823848366 633158917 /nfs/dbraw/zinc/15/89/17/633158917.db2.gz UUEHLXFWOQZGBT-INIZCTEOSA-N 1 0 288.435 3.252 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+][C@@H](C1CCC1)[C@H]1CCOC1)CC2 ZINC000866511069 633167425 /nfs/dbraw/zinc/16/74/25/633167425.db2.gz AMIRUNSWCBMGSK-DAYGRLMNSA-N 1 0 287.403 3.174 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CC[C@H](O)C2CCCC2)c(O)c1 ZINC000866637533 633226183 /nfs/dbraw/zinc/22/61/83/633226183.db2.gz IFMSTRXSNPSDGB-BBRMVZONSA-N 1 0 277.408 3.292 20 10 CGCDRO COc1cccc(C[NH2+][C@H]2CCCC23CCC3)c1O ZINC000824382771 633239120 /nfs/dbraw/zinc/23/91/20/633239120.db2.gz HDJZTZWFDMXMBN-AWEZNQCLSA-N 1 0 261.365 3.213 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CC[C@H](C)CCO)cc1F ZINC000824517058 633252361 /nfs/dbraw/zinc/25/23/61/633252361.db2.gz OYHDACLVEVQFAF-AWEZNQCLSA-N 1 0 296.430 3.170 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@H]2C2CC2)c1O ZINC000824650444 633268730 /nfs/dbraw/zinc/26/87/30/633268730.db2.gz NSCJCWTZINGULY-ZDUSSCGKSA-N 1 0 251.757 3.338 20 10 CGCDRO CC[C@H]1CCC[C@H]1C[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000824655201 633269511 /nfs/dbraw/zinc/26/95/11/633269511.db2.gz UWKFAUWNMZCLGY-STQMWFEESA-N 1 0 293.407 3.325 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c1O ZINC000824695712 633274088 /nfs/dbraw/zinc/27/40/88/633274088.db2.gz BKUGWDCMHZQVIK-GVDBMIGSSA-N 1 0 289.419 3.216 20 10 CGCDRO c1cc(C[NH2+]C[C@H]2CCOC3(CCC3)C2)cc2c1OCC2 ZINC000824750426 633282681 /nfs/dbraw/zinc/28/26/81/633282681.db2.gz JAJFEDOBXCPNML-HNNXBMFYSA-N 1 0 287.403 3.060 20 10 CGCDRO Cc1cccc(C[NH2+]C[C@H]2CCO[C@H](C(C)C)C2)c1O ZINC000824800544 633293158 /nfs/dbraw/zinc/29/31/58/633293158.db2.gz ZVSVOCUEFSWFCH-HOCLYGCPSA-N 1 0 277.408 3.241 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2CCC[C@H]2C[C@@H](C)O)cc1Cl ZINC000824829686 633296487 /nfs/dbraw/zinc/29/64/87/633296487.db2.gz KGXODJPYXQMXAU-YPMHNXCESA-N 1 0 283.799 3.089 20 10 CGCDRO CCC1(O)CC[NH+](Cc2cc(Cl)c(C)cc2O)CC1 ZINC000824855304 633301031 /nfs/dbraw/zinc/30/10/31/633301031.db2.gz IYRROYOGJHDVQB-UHFFFAOYSA-N 1 0 283.799 3.091 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCSC[C@@H]2C2CC2)c1O ZINC000824913946 633304924 /nfs/dbraw/zinc/30/49/24/633304924.db2.gz JQWFVKBRQYMUEP-CQSZACIVSA-N 1 0 263.406 3.028 20 10 CGCDRO Oc1ccc(F)cc1C[N@@H+]1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC000824941116 633309123 /nfs/dbraw/zinc/30/91/23/633309123.db2.gz IZKGAZILCDIDNW-GOEBONIOSA-N 1 0 261.340 3.152 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2C[C@@H](C3CC3)[C@H]2C2CC2)c1 ZINC000824941365 633309131 /nfs/dbraw/zinc/30/91/31/633309131.db2.gz MUOHXZRTSRWNRA-DOTOQJQBSA-N 1 0 257.377 3.321 20 10 CGCDRO COc1cccc2c1C[N@H+](Cc1cc(C)ccc1O)CC2 ZINC000824983452 633314424 /nfs/dbraw/zinc/31/44/24/633314424.db2.gz XTKKALTVSZDXLX-UHFFFAOYSA-N 1 0 283.371 3.268 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000825215811 633335996 /nfs/dbraw/zinc/33/59/96/633335996.db2.gz XDNLLNMREWSXFY-OAHLLOKOSA-N 1 0 263.406 3.111 20 10 CGCDRO COCC1(C[NH2+]Cc2ccc(OC)c(C)c2)CCCC1 ZINC000825245980 633338792 /nfs/dbraw/zinc/33/87/92/633338792.db2.gz VKRZGWBGHRDLBM-UHFFFAOYSA-N 1 0 277.408 3.300 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CC2(CCO)CCCC2)cc1Cl ZINC000825319971 633345024 /nfs/dbraw/zinc/34/50/24/633345024.db2.gz DLIGMMCXXNEAKJ-UHFFFAOYSA-N 1 0 297.826 3.386 20 10 CGCDRO CCC(CC)(CO)C[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825385161 633350621 /nfs/dbraw/zinc/35/06/21/633350621.db2.gz SWPSGHLAYNCHLF-UHFFFAOYSA-N 1 0 285.815 3.242 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@]2(C)CCO[C@H]2C2CC2)cc1Cl ZINC000825502288 633358854 /nfs/dbraw/zinc/35/88/54/633358854.db2.gz VWCRLWJOZYELBZ-JKSUJKDBSA-N 1 0 295.810 3.401 20 10 CGCDRO CC[N@@H+](Cc1cc(Cl)c(C)cc1O)C[C@H](C)OC ZINC000825955087 633391989 /nfs/dbraw/zinc/39/19/89/633391989.db2.gz FWBUTGHZDCXBRL-NSHDSACASA-N 1 0 271.788 3.211 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](O)CC(C)(C)C2)cc1Cl ZINC000826089696 633404300 /nfs/dbraw/zinc/40/43/00/633404300.db2.gz NSEPUEPJNFOJBH-CYBMUJFWSA-N 1 0 297.826 3.337 20 10 CGCDRO CC1(C)C[C@H]([NH2+]Cc2ccc3ccccc3c2O)CO1 ZINC000826796371 633433533 /nfs/dbraw/zinc/43/35/33/633433533.db2.gz JADYEKPBBJDOHE-AWEZNQCLSA-N 1 0 271.360 3.203 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1CCC[C@@H](C)O1 ZINC000827251786 633475026 /nfs/dbraw/zinc/47/50/26/633475026.db2.gz NNEVJTCREZEQHE-PBHICJAKSA-N 1 0 276.424 3.108 20 10 CGCDRO CC[C@@](C)([NH2+]Cc1cc(OC)c(OC)cc1O)C1CC1 ZINC000827327125 633482573 /nfs/dbraw/zinc/48/25/73/633482573.db2.gz MKYDZBMMASJRLO-MRXNPFEDSA-N 1 0 279.380 3.078 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)c1O ZINC000827488483 633494090 /nfs/dbraw/zinc/49/40/90/633494090.db2.gz IGSPNVQTQKNOGZ-CLLJXQQHSA-N 1 0 251.757 3.242 20 10 CGCDRO OCC1(C[NH2+]Cc2c(O)cccc2Cl)CCCCC1 ZINC000122863800 633524761 /nfs/dbraw/zinc/52/47/61/633524761.db2.gz RHJGWQSLLRTQIL-UHFFFAOYSA-N 1 0 283.799 3.078 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)[C@H]1CCCOC1 ZINC000872027551 633947155 /nfs/dbraw/zinc/94/71/55/633947155.db2.gz FAPIAUINAIBVFB-HOCLYGCPSA-N 1 0 294.414 3.187 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@H](OC)C(C)(C)C2)cc1 ZINC000831546913 633974895 /nfs/dbraw/zinc/97/48/95/633974895.db2.gz CUGMZASGWIHPOE-KRWDZBQOSA-N 1 0 290.451 3.390 20 10 CGCDRO CCC[C@H](C)[C@@H](CO)[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000846183316 636154753 /nfs/dbraw/zinc/15/47/53/636154753.db2.gz HJANHTOCVPKTDH-MISXGVKJSA-N 1 0 285.815 3.493 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1)c1ccccc1O ZINC000872109062 634033263 /nfs/dbraw/zinc/03/32/63/634033263.db2.gz GQMNTKGTWUZQDO-GZIXRCOHSA-N 1 0 275.392 3.391 20 10 CGCDRO C[C@@H]([NH2+]CCC[C@@H]1CCOC1=O)c1cc(Cl)ccc1O ZINC000872111442 634035702 /nfs/dbraw/zinc/03/57/02/634035702.db2.gz CVWDUKVPHIIATO-GHMZBOCLSA-N 1 0 297.782 3.040 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1C[C@H](O)C1)c1ccc(N2CCCCC2)cc1 ZINC000872126311 634047934 /nfs/dbraw/zinc/04/79/34/634047934.db2.gz KLLKNHQTYQSBMN-MPGHIAIKSA-N 1 0 288.435 3.098 20 10 CGCDRO CO[C@]1(C)C[C@@H]([NH2+][C@@H]2CCc3cccc(O)c32)C1(C)C ZINC000834611445 634196799 /nfs/dbraw/zinc/19/67/99/634196799.db2.gz KMFRJBDFSVIRGO-SUYBPPKGSA-N 1 0 275.392 3.173 20 10 CGCDRO CCCOc1ccc(C[NH2+]C[C@H](O)c2ccco2)cc1C ZINC000873010219 634230238 /nfs/dbraw/zinc/23/02/38/634230238.db2.gz CONXBIWFVJJEAO-HNNXBMFYSA-N 1 0 289.375 3.200 20 10 CGCDRO COc1ccc(C[NH2+]CCC(C)C)cc1Cn1cccn1 ZINC000873007489 634231137 /nfs/dbraw/zinc/23/11/37/634231137.db2.gz RPQHDCOYOXFALL-UHFFFAOYSA-N 1 0 287.407 3.076 20 10 CGCDRO CCC(C)(C)[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873034329 634235081 /nfs/dbraw/zinc/23/50/81/634235081.db2.gz QORCSGURDGANJI-UHFFFAOYSA-N 1 0 287.407 3.218 20 10 CGCDRO CC1(C)C[C@H]([NH2+][C@H]2CCc3cccc(O)c32)C(C)(C)O1 ZINC000834756252 634236173 /nfs/dbraw/zinc/23/61/73/634236173.db2.gz LHQODNUEEDTJQT-JSGCOSHPSA-N 1 0 275.392 3.315 20 10 CGCDRO CCCOc1ccc(C[NH2+]C[C@@H](C)C[C@H](C)O)cc1C ZINC000873058236 634238212 /nfs/dbraw/zinc/23/82/12/634238212.db2.gz DKNRQZLYUUUROB-ZFWWWQNUSA-N 1 0 279.424 3.280 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@@H](C)c2cnn(C)c2)cc1C ZINC000873060222 634238451 /nfs/dbraw/zinc/23/84/51/634238451.db2.gz FPAODAVVQUATHI-AWEZNQCLSA-N 1 0 287.407 3.368 20 10 CGCDRO CO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)C12CCC2 ZINC000834768692 634238896 /nfs/dbraw/zinc/23/88/96/634238896.db2.gz DPGCZJZJAJCTCP-RRQGHBQHSA-N 1 0 288.435 3.361 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]CCc1ccc(F)c(F)c1)CC2 ZINC000834779575 634240830 /nfs/dbraw/zinc/24/08/30/634240830.db2.gz NLMPNGCUOSOUGE-OAHLLOKOSA-N 1 0 289.325 3.490 20 10 CGCDRO Cc1ccc([C@H](O)[C@@H](C)[NH2+][C@H]2CCc3cccc(O)c32)cc1 ZINC000834798910 634244475 /nfs/dbraw/zinc/24/44/75/634244475.db2.gz RMODHHONMJBDMT-ACWOFJMJSA-N 1 0 297.398 3.400 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCn3ccnc32)cc1 ZINC000834835765 634253302 /nfs/dbraw/zinc/25/33/02/634253302.db2.gz JKBOXZIWSPFJKB-BBRMVZONSA-N 1 0 284.407 3.135 20 10 CGCDRO CC[C@](C)(C[NH2+][C@H](C)c1c(C)cc(C)cc1O)OC ZINC000834881966 634264819 /nfs/dbraw/zinc/26/48/19/634264819.db2.gz HFYGASYBLOLXDZ-CZUORRHYSA-N 1 0 265.397 3.475 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]CC2(OC(C)C)CCC2)c1 ZINC000873167707 634269450 /nfs/dbraw/zinc/26/94/50/634269450.db2.gz YRNUPSVCZDGNQD-UHFFFAOYSA-N 1 0 293.407 3.228 20 10 CGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccccn1 ZINC000124420781 634269589 /nfs/dbraw/zinc/26/95/89/634269589.db2.gz ZBIYNRNZINEDBY-UHFFFAOYSA-N 1 0 269.392 3.170 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCC2(CO)CC2)c1O ZINC000834896617 634273056 /nfs/dbraw/zinc/27/30/56/634273056.db2.gz LXRNOOAWBSFUDD-LLVKDONJSA-N 1 0 283.799 3.167 20 10 CGCDRO CCn1ccnc1[C@@H](C)[NH2+][C@H](C)c1ccc(C)cc1O ZINC000834896106 634273237 /nfs/dbraw/zinc/27/32/37/634273237.db2.gz UQCLXWGABYYASF-CHWSQXEVSA-N 1 0 273.380 3.329 20 10 CGCDRO C[C@@H]([NH2+][C@H]1COCC1(C)C)c1cc2c(cc1O)CCCC2 ZINC000834904382 634281510 /nfs/dbraw/zinc/28/15/10/634281510.db2.gz NXKUNSUJOYZCNU-PXAZEXFGSA-N 1 0 289.419 3.347 20 10 CGCDRO C[C@H]([NH2+][C@H]1COCC1(C)C)c1cc2c(cc1O)CCCC2 ZINC000834904386 634281531 /nfs/dbraw/zinc/28/15/31/634281531.db2.gz NXKUNSUJOYZCNU-SJCJKPOMSA-N 1 0 289.419 3.347 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1CCC[C@H]1O)c1cc2c(cc1O)CCCC2 ZINC000834906288 634282234 /nfs/dbraw/zinc/28/22/34/634282234.db2.gz OHBKHYLFWXCCPG-ISTRZQFTSA-N 1 0 289.419 3.083 20 10 CGCDRO COc1cccnc1C[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000834907225 634282855 /nfs/dbraw/zinc/28/28/55/634282855.db2.gz YYQGDHOBBGIBMT-ZDUSSCGKSA-N 1 0 286.375 3.263 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H](O)C1CCC1)c1cc(Cl)ccc1O ZINC000834906921 634283190 /nfs/dbraw/zinc/28/31/90/634283190.db2.gz UIPXHOASYBZDQA-HIFRSBDPSA-N 1 0 283.799 3.247 20 10 CGCDRO CC[C@H]([NH2+]CCc1cnc(C)cn1)c1ccc(N(C)C)cc1 ZINC000834908392 634283200 /nfs/dbraw/zinc/28/32/00/634283200.db2.gz JPNJMUFKYLKDKY-SFHVURJKSA-N 1 0 298.434 3.134 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1CCOC(C)(C)C1)c1ccccc1O ZINC000834913214 634285549 /nfs/dbraw/zinc/28/55/49/634285549.db2.gz ZTODZMZFFYDPNZ-STQMWFEESA-N 1 0 263.381 3.248 20 10 CGCDRO Cc1ccc(C[C@@H](CO)[NH2+][C@H](C)c2ccccc2O)cc1C ZINC000834913512 634285581 /nfs/dbraw/zinc/28/55/81/634285581.db2.gz HOCJDXOCITZFEE-WBVHZDCISA-N 1 0 299.414 3.263 20 10 CGCDRO CCO[C@@H]1CCC[N@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835025440 634324669 /nfs/dbraw/zinc/32/46/69/634324669.db2.gz VMDZYHRHWSLINI-LZCIBIBXSA-N 1 0 288.435 3.267 20 10 CGCDRO Cc1ccc(C[NH2+]C/C=C\c2ccc(N(C)C)cc2)cn1 ZINC000835034569 634327593 /nfs/dbraw/zinc/32/75/93/634327593.db2.gz BNKPMMHNHGOOMG-PLNGDYQASA-N 1 0 281.403 3.259 20 10 CGCDRO CSCCCC[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835040920 634329530 /nfs/dbraw/zinc/32/95/30/634329530.db2.gz SUMUZCAGMAFWTM-SREVYHEPSA-N 1 0 278.465 3.499 20 10 CGCDRO CO[C@@H]1CCC[C@@H]1C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835042696 634330544 /nfs/dbraw/zinc/33/05/44/634330544.db2.gz KXBMPYXESJMFOZ-GOVFWEMJSA-N 1 0 288.435 3.171 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H](CO)CC(C)(C)C)cc1 ZINC000835041939 634330810 /nfs/dbraw/zinc/33/08/10/634330810.db2.gz PLXJPTFEUFUBCI-FYCOFBDGSA-N 1 0 290.451 3.153 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH+]2CCC3(CCO3)CC2)cc1 ZINC000835050874 634335895 /nfs/dbraw/zinc/33/58/95/634335895.db2.gz ZRWZBYJIGKFYJZ-ARJAWSKDSA-N 1 0 286.419 3.021 20 10 CGCDRO CO[C@H]1CCCC[C@@H]1[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835052684 634337236 /nfs/dbraw/zinc/33/72/36/634337236.db2.gz QAVASCDSHLLHFK-LUNNPTDRSA-N 1 0 288.435 3.313 20 10 CGCDRO C[C@@H]1CSC[C@@H]1[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835054368 634338470 /nfs/dbraw/zinc/33/84/70/634338470.db2.gz UXYPQHCTAVSGGY-DUIDPNDXSA-N 1 0 276.449 3.107 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+]CCC(C)(F)F)cc1 ZINC000835055250 634339133 /nfs/dbraw/zinc/33/91/33/634339133.db2.gz SHQHXVMTOHFUHW-SNAWJCMRSA-N 1 0 268.351 3.401 20 10 CGCDRO CCn1cc([C@@H](C)[NH2+]C/C=C\c2ccc(N(C)C)cc2)cn1 ZINC000835055557 634339533 /nfs/dbraw/zinc/33/95/33/634339533.db2.gz WHQGXZOGZHDINE-IDTUSYRASA-N 1 0 298.434 3.333 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]C/C=C/c2ccc(N(C)C)cc2)c2nccn21 ZINC000835055087 634339899 /nfs/dbraw/zinc/33/98/99/634339899.db2.gz QNJXJVOJFCMIQG-XUOJHOASSA-N 1 0 296.418 3.258 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH+]2CC(C3CC3)C2)cc1 ZINC000835056260 634340761 /nfs/dbraw/zinc/34/07/61/634340761.db2.gz SFHGYAYDALKCHF-ONEGZZNKSA-N 1 0 256.393 3.108 20 10 CGCDRO Cc1ccc(CC[NH2+]C/C=C\c2ccc(N(C)C)cc2)nc1 ZINC000835066416 634344350 /nfs/dbraw/zinc/34/43/50/634344350.db2.gz WJPMOTHFRYMRCI-PLNGDYQASA-N 1 0 295.430 3.302 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCc2ccc(F)cc2)c1 ZINC000019904120 634368158 /nfs/dbraw/zinc/36/81/58/634368158.db2.gz WAABBIAGVKTOJB-GFCCVEGCSA-N 1 0 289.350 3.433 20 10 CGCDRO Cc1cccc(O)c1C[NH+]1C[C@H](C)S[C@@H](C)C1 ZINC000876643328 634874506 /nfs/dbraw/zinc/87/45/06/634874506.db2.gz XDVCFUHJJCNDGT-RYUDHWBXSA-N 1 0 251.395 3.026 20 10 CGCDRO CCC[N@H+](CCC[C@H]1CCO1)Cc1ccccc1O ZINC000876654671 634875358 /nfs/dbraw/zinc/87/53/58/634875358.db2.gz LSYBGOQPZHOMFU-HNNXBMFYSA-N 1 0 263.381 3.173 20 10 CGCDRO Cc1cccc(O)c1C[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000876764295 634895112 /nfs/dbraw/zinc/89/51/12/634895112.db2.gz UMIHIHSMTDBWBA-UHFFFAOYSA-N 1 0 293.370 3.176 20 10 CGCDRO CCSCC[C@H](C)[NH2+]Cc1ccc(C)cc1O ZINC000877062600 634967760 /nfs/dbraw/zinc/96/77/60/634967760.db2.gz AHQMEZCIHHFBBN-LBPRGKRZSA-N 1 0 253.411 3.322 20 10 CGCDRO CCO[C@H](CC[NH2+]Cc1c(C)cccc1O)C(C)C ZINC000877083078 634978084 /nfs/dbraw/zinc/97/80/84/634978084.db2.gz HNVBFELJGMXREW-MRXNPFEDSA-N 1 0 265.397 3.241 20 10 CGCDRO Cc1ccc(C[NH2+][C@H]2CCCC(F)(F)C2)c(O)c1 ZINC000877089158 634980957 /nfs/dbraw/zinc/98/09/57/634980957.db2.gz KVIYVCRIKVBJAU-LBPRGKRZSA-N 1 0 255.308 3.368 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]CC1([C@@H](O)c2ccccc2)CC1 ZINC000877111281 634985743 /nfs/dbraw/zinc/98/57/43/634985743.db2.gz HGNODYWAVLHFON-SFHVURJKSA-N 1 0 297.398 3.304 20 10 CGCDRO Cc1cccc(O)c1C[NH2+][C@H]1CCO[C@@H](CC(C)C)C1 ZINC000877141528 635000226 /nfs/dbraw/zinc/00/02/26/635000226.db2.gz JLGZNGBULLZPAO-GJZGRUSLSA-N 1 0 277.408 3.384 20 10 CGCDRO Cc1ccnc(C2CC[NH+](Cc3c(C)cccc3O)CC2)n1 ZINC000877331942 635027720 /nfs/dbraw/zinc/02/77/20/635027720.db2.gz VYWYLJKZIJGYIO-UHFFFAOYSA-N 1 0 297.402 3.179 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]CCC[C@H]1CCCCO1 ZINC000877353094 635030088 /nfs/dbraw/zinc/03/00/88/635030088.db2.gz NMZJGEPOULCTLG-CQSZACIVSA-N 1 0 263.381 3.140 20 10 CGCDRO Cc1ccc(C[NH2+][C@H]2CCc3cnn(C(C)C)c3C2)c(O)c1 ZINC000877472068 635049556 /nfs/dbraw/zinc/04/95/56/635049556.db2.gz IXHKNSFUXOIYJL-INIZCTEOSA-N 1 0 299.418 3.125 20 10 CGCDRO CC[C@@H]([NH2+]CCc1cn(C)cn1)c1cc(Cl)ccc1O ZINC000840767971 635050150 /nfs/dbraw/zinc/05/01/50/635050150.db2.gz XVHJMIXVEHSFBG-CQSZACIVSA-N 1 0 293.798 3.063 20 10 CGCDRO C[C@@H]([NH2+][C@H](C)c1cc(Cl)ccc1O)c1ccn(C)n1 ZINC000840817940 635057301 /nfs/dbraw/zinc/05/73/01/635057301.db2.gz XQMSUASRGUIBOE-NXEZZACHSA-N 1 0 279.771 3.191 20 10 CGCDRO Cc1ccc(C[N@H+]2CCCC[C@H]2c2ccnn2C)c(O)c1 ZINC000877497443 635061645 /nfs/dbraw/zinc/06/16/45/635061645.db2.gz QDOCSVFMKPMOOA-INIZCTEOSA-N 1 0 285.391 3.161 20 10 CGCDRO CO[C@@](C)([C@@H](C)[NH2+][C@H]1CCc2cccc(O)c21)C1CC1 ZINC000840859530 635067733 /nfs/dbraw/zinc/06/77/33/635067733.db2.gz NCPMXOPEMUBVJX-WHCBVINPSA-N 1 0 275.392 3.173 20 10 CGCDRO COCC1CCC([NH2+][C@@H](C)c2cc(OC)ccc2O)CC1 ZINC000840881090 635072264 /nfs/dbraw/zinc/07/22/64/635072264.db2.gz NPYZLXOLNYDERS-HSBZDZAISA-N 1 0 293.407 3.257 20 10 CGCDRO Cc1cc(O)c(CNc2[nH+]ccn2C2CC2)cc1C ZINC000840887644 635075741 /nfs/dbraw/zinc/07/57/41/635075741.db2.gz RSYDYOGTNAZVKJ-UHFFFAOYSA-N 1 0 257.337 3.153 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCCc3occc3C2)c(O)c1 ZINC000877538268 635078062 /nfs/dbraw/zinc/07/80/62/635078062.db2.gz ZOSVGJVAZHABTO-UHFFFAOYSA-N 1 0 257.333 3.242 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000877540454 635079483 /nfs/dbraw/zinc/07/94/83/635079483.db2.gz ZNTKJOUKTGKENF-CVEARBPZSA-N 1 0 275.392 3.090 20 10 CGCDRO CCO[C@H]1CCC[N@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000840907737 635080303 /nfs/dbraw/zinc/08/03/03/635080303.db2.gz HZYDNOKREYQDPX-LBPRGKRZSA-N 1 0 283.799 3.355 20 10 CGCDRO CCOC[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000840915123 635081287 /nfs/dbraw/zinc/08/12/87/635081287.db2.gz KLAWVKAERLKUPW-MRXNPFEDSA-N 1 0 290.451 3.310 20 10 CGCDRO Cc1cc(O)c(CN2CC[C@H]([NH+]3CCCC3)C2)c(Cl)c1 ZINC000840913093 635081961 /nfs/dbraw/zinc/08/19/61/635081961.db2.gz RJJMZMPSJRJZLS-ZDUSSCGKSA-N 1 0 294.826 3.024 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCOC2(CCCC2)C1 ZINC000840918191 635082817 /nfs/dbraw/zinc/08/28/17/635082817.db2.gz PLNUFIBZCYESSH-UHFFFAOYSA-N 1 0 288.435 3.206 20 10 CGCDRO CC[N@H+](C)C[C@H]1CCN(Cc2c(O)cc(C)cc2Cl)C1 ZINC000840916916 635082981 /nfs/dbraw/zinc/08/29/81/635082981.db2.gz NUUQOSSKFSYQLM-CYBMUJFWSA-N 1 0 296.842 3.128 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@](C)(CO)c1ccccc1 ZINC000840933674 635084808 /nfs/dbraw/zinc/08/48/08/635084808.db2.gz HHTYIZLINKJNSG-IBGZPJMESA-N 1 0 298.430 3.058 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C1(C2(C)CC2)CC1 ZINC000840950408 635090290 /nfs/dbraw/zinc/09/02/90/635090290.db2.gz KGXCCLLMNTXMEB-UHFFFAOYSA-N 1 0 258.409 3.483 20 10 CGCDRO Cc1cc(O)c(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(Cl)c1 ZINC000840950032 635090307 /nfs/dbraw/zinc/09/03/07/635090307.db2.gz DYEPNQKTQFHERN-YHWZYXNKSA-N 1 0 294.826 3.069 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCCO[C@H](C(C)C)C1 ZINC000840949407 635090882 /nfs/dbraw/zinc/09/08/82/635090882.db2.gz VMFWLPJURRHNSV-SFHVURJKSA-N 1 0 290.451 3.308 20 10 CGCDRO Cc1ccc(C[NH2+]CC(C)(C)c2ccccn2)c(O)c1 ZINC000877559336 635091077 /nfs/dbraw/zinc/09/10/77/635091077.db2.gz VMCXVOYBMYQIBZ-UHFFFAOYSA-N 1 0 270.376 3.163 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCC[C@H]2CCOC2)c(Cl)c1 ZINC000840952232 635091880 /nfs/dbraw/zinc/09/18/80/635091880.db2.gz XBSYJGWIAORZCH-LBPRGKRZSA-N 1 0 283.799 3.260 20 10 CGCDRO CO[C@](C)(C[NH2+]Cc1c(C)cccc1O)c1ccccc1 ZINC000877564742 635093457 /nfs/dbraw/zinc/09/34/57/635093457.db2.gz KJXLEPNMSPMTGN-GOSISDBHSA-N 1 0 285.387 3.352 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]C[C@@H]1CCO[C@H](C(C)C)C1 ZINC000877565343 635094134 /nfs/dbraw/zinc/09/41/34/635094134.db2.gz GAIBYUUSIYIVEF-PBHICJAKSA-N 1 0 277.408 3.241 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]C/C=C\c2ccc(N(C)C)cc2)CS1 ZINC000840959602 635094406 /nfs/dbraw/zinc/09/44/06/635094406.db2.gz WZTCBQOXHICTNL-HAAFXLEYSA-N 1 0 276.449 3.249 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]C[C@@H]1CCO[C@@H](C(C)C)C1 ZINC000877565345 635094436 /nfs/dbraw/zinc/09/44/36/635094436.db2.gz GAIBYUUSIYIVEF-RHSMWYFYSA-N 1 0 277.408 3.241 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCSC[C@H]2C2CC2)c(O)c1 ZINC000877568276 635095398 /nfs/dbraw/zinc/09/53/98/635095398.db2.gz JMVVOZFPJAECBO-AWEZNQCLSA-N 1 0 263.406 3.028 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CC[C@H](C2CCC2)C1 ZINC000840977956 635099161 /nfs/dbraw/zinc/09/91/61/635099161.db2.gz KZDBHNJQFXYKNR-ZDUSSCGKSA-N 1 0 261.365 3.023 20 10 CGCDRO Cc1cc(C[NH2+]CCc2ccc(N)cc2)ccc1F ZINC000841037089 635111126 /nfs/dbraw/zinc/11/11/26/635111126.db2.gz YFWZHZLYLKUFIZ-UHFFFAOYSA-N 1 0 258.340 3.049 20 10 CGCDRO COc1cccc(O)c1C[NH2+][C@H]1CCCc2cc(N)ccc21 ZINC000841058294 635116611 /nfs/dbraw/zinc/11/66/11/635116611.db2.gz PGLBLPOUILKKSM-INIZCTEOSA-N 1 0 298.386 3.150 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H]2CCCc3cc(N)ccc32)c1 ZINC000841057828 635116736 /nfs/dbraw/zinc/11/67/36/635116736.db2.gz KQKCMQXPAPDJHN-KRWDZBQOSA-N 1 0 282.387 3.450 20 10 CGCDRO Cc1cc(N)cc(C[NH2+]C/C=C/c2ccc(N(C)C)cc2)c1 ZINC000841072201 635117817 /nfs/dbraw/zinc/11/78/17/635117817.db2.gz YPECUFWMFSZXNX-SNAWJCMRSA-N 1 0 295.430 3.446 20 10 CGCDRO Cc1cccc(CN2C[C@H](C)[NH2+]Cc3ccccc32)c1O ZINC000841089181 635119341 /nfs/dbraw/zinc/11/93/41/635119341.db2.gz ICTJMZGHBZCUDW-AWEZNQCLSA-N 1 0 282.387 3.199 20 10 CGCDRO Cc1ccc(C[NH2+][C@H]2CCN(C3CCCCC3)C2)c(O)c1 ZINC000877631953 635122657 /nfs/dbraw/zinc/12/26/57/635122657.db2.gz YCAAATCRDVENNO-INIZCTEOSA-N 1 0 288.435 3.197 20 10 CGCDRO COCC1([NH2+]Cc2ccc(C)cc2O)CCCCC1 ZINC000877644424 635128649 /nfs/dbraw/zinc/12/86/49/635128649.db2.gz PJNRKQKKDACUEO-UHFFFAOYSA-N 1 0 263.381 3.140 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCC[C@](O)(c3ccccc3)C2)c(O)c1 ZINC000877653334 635132964 /nfs/dbraw/zinc/13/29/64/635132964.db2.gz HGRADEVHZYCTAZ-LJQANCHMSA-N 1 0 297.398 3.184 20 10 CGCDRO Cc1ccc(C[N@@H+]2CC[C@@H](c3ccc(O)cc3)C2)c(O)c1 ZINC000877660104 635135228 /nfs/dbraw/zinc/13/52/28/635135228.db2.gz JIPQHBDINKTJMX-OAHLLOKOSA-N 1 0 283.371 3.396 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]CCSCCC(F)(F)F ZINC000877731065 635166636 /nfs/dbraw/zinc/16/66/36/635166636.db2.gz MVXKIJKRXNNIIL-UHFFFAOYSA-N 1 0 297.317 3.307 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H]3CSC[C@@H]3C2)cc1F ZINC000877737510 635170563 /nfs/dbraw/zinc/17/05/63/635170563.db2.gz GSRIGGIGHLJAPT-KBPBESRZSA-N 1 0 294.439 3.077 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CCO[C@H](C(F)(F)F)C1)c1ccccc1O ZINC000877755599 635183961 /nfs/dbraw/zinc/18/39/61/635183961.db2.gz HQZHHBOXVLAYCM-NRUUGDAUSA-N 1 0 289.297 3.153 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCCn3nccc32)cc1Cl ZINC000877778870 635200204 /nfs/dbraw/zinc/20/02/04/635200204.db2.gz VPNJTAKFEBUGQE-CYBMUJFWSA-N 1 0 291.782 3.175 20 10 CGCDRO CC[C@@H](C[C@@H](C)O)[NH2+]Cc1ccc2ccccc2c1O ZINC000877778890 635200668 /nfs/dbraw/zinc/20/06/68/635200668.db2.gz WAOMDAXPGNOYHT-DOMZBBRYSA-N 1 0 273.376 3.185 20 10 CGCDRO CC(C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841747550 635223938 /nfs/dbraw/zinc/22/39/38/635223938.db2.gz RCFRFBQCUBIBHJ-ZYHUDNBSSA-N 1 0 271.788 3.103 20 10 CGCDRO C[C@@H]([NH2+]CCc1nccs1)c1ccc(Cl)cc1O ZINC000841748687 635224288 /nfs/dbraw/zinc/22/42/88/635224288.db2.gz YEPSNXNJZBIGCK-SECBINFHSA-N 1 0 282.796 3.395 20 10 CGCDRO CC[C@@H]([NH2+][C@H](C)c1ccc(Cl)cc1O)C(C)(C)O ZINC000841753364 635227576 /nfs/dbraw/zinc/22/75/76/635227576.db2.gz HGXHARXGLSWVFH-NOZJJQNGSA-N 1 0 271.788 3.246 20 10 CGCDRO C[C@@H]([NH2+]CCN1CCC[C@H]1C)c1ccc(Cl)cc1O ZINC000841754848 635228169 /nfs/dbraw/zinc/22/81/69/635228169.db2.gz MONLOHTZGXFTFW-VXGBXAGGSA-N 1 0 282.815 3.181 20 10 CGCDRO CO[C@@H](C[NH2+][C@@H](C)c1cc(C)ccc1O)CC(C)C ZINC000841755067 635228246 /nfs/dbraw/zinc/22/82/46/635228246.db2.gz GPVCYIAJZTUNNK-UONOGXRCSA-N 1 0 265.397 3.412 20 10 CGCDRO CCn1ccc(C[NH2+][C@H](C)c2ccc(Cl)cc2O)n1 ZINC000841755597 635229971 /nfs/dbraw/zinc/22/99/71/635229971.db2.gz KBJKAIIKYVWDHU-SNVBAGLBSA-N 1 0 279.771 3.113 20 10 CGCDRO Cc1cccc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])c1O ZINC000877827742 635230585 /nfs/dbraw/zinc/23/05/85/635230585.db2.gz NPGUYLRXDXWGIR-GFCCVEGCSA-N 1 0 286.331 3.460 20 10 CGCDRO C[C@H]([NH2+]CCc1cscn1)c1ccc(Cl)cc1O ZINC000841757388 635231203 /nfs/dbraw/zinc/23/12/03/635231203.db2.gz GBWZMBWNJWEJRB-VIFPVBQESA-N 1 0 282.796 3.395 20 10 CGCDRO CC[C@H](C)[C@H](O)C[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841758352 635231441 /nfs/dbraw/zinc/23/14/41/635231441.db2.gz GSVZJOXLTTUXHR-IMSIIYSGSA-N 1 0 271.788 3.103 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2(N(C)C)CC2)c1O ZINC000841763848 635232903 /nfs/dbraw/zinc/23/29/03/635232903.db2.gz RBVWKRGTZCQRIF-LLVKDONJSA-N 1 0 282.815 3.099 20 10 CGCDRO CC[C@H]([NH2+]CC1(N(C)C)CC1)c1cc(Cl)ccc1O ZINC000841761574 635233491 /nfs/dbraw/zinc/23/34/91/635233491.db2.gz HEMGHNWPQXXMTR-ZDUSSCGKSA-N 1 0 282.815 3.181 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@H]1COC(C)(C)C1 ZINC000841887097 635246177 /nfs/dbraw/zinc/24/61/77/635246177.db2.gz FDZIKZBGNYROPR-GDBMZVCRSA-N 1 0 290.451 3.149 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H]2[C@@H]2CCCOC2)cc1C ZINC000842612576 635418824 /nfs/dbraw/zinc/41/88/24/635418824.db2.gz JVQIVKQHIDVVKM-WBVHZDCISA-N 1 0 289.419 3.400 20 10 CGCDRO CC(C)(C)O[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000842761081 635462748 /nfs/dbraw/zinc/46/27/48/635462748.db2.gz SJPYMRPXQKSYBZ-BETUJISGSA-N 1 0 283.799 3.481 20 10 CGCDRO C[C@@H]1SCC[C@H]1[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000842779018 635470656 /nfs/dbraw/zinc/47/06/56/635470656.db2.gz JEHHDGUCYLHUHQ-KJJZUGDZSA-N 1 0 276.449 3.249 20 10 CGCDRO C[C@@H]1SCC[C@@H]1[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000842779020 635470713 /nfs/dbraw/zinc/47/07/13/635470713.db2.gz JEHHDGUCYLHUHQ-UXGDDLMTSA-N 1 0 276.449 3.249 20 10 CGCDRO CC[C@H](C)C[C@@H](CO)[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000842919956 635511903 /nfs/dbraw/zinc/51/19/03/635511903.db2.gz XEJFNPMJLYQLAR-UBHSHLNASA-N 1 0 265.397 3.148 20 10 CGCDRO CC[C@H](C)C[C@@H](CO)[NH2+][C@H](C)c1ccc(C)cc1O ZINC000842917623 635512254 /nfs/dbraw/zinc/51/22/54/635512254.db2.gz QRNIRDJFLKHBKI-YUTCNCBUSA-N 1 0 265.397 3.148 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CO[C@H](C)C1)c1cc(Cl)ccc1O ZINC000842927804 635514440 /nfs/dbraw/zinc/51/44/40/635514440.db2.gz GVKQJZPVFSMLNH-CDMKHQONSA-N 1 0 269.772 3.264 20 10 CGCDRO CN(C)c1ccccc1CN1CCCc2cc(C[NH3+])ccc21 ZINC000843057780 635552968 /nfs/dbraw/zinc/55/29/68/635552968.db2.gz UYBOZLOFWCTFQT-UHFFFAOYSA-N 1 0 295.430 3.164 20 10 CGCDRO Cc1cc(O)c(CN2CCc3ccccc3[C@@H]2C[NH3+])cc1C ZINC000843129896 635563410 /nfs/dbraw/zinc/56/34/10/635563410.db2.gz SYFQPFWHEUBXPQ-SFHVURJKSA-N 1 0 296.414 3.067 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000843420191 635664815 /nfs/dbraw/zinc/66/48/15/635664815.db2.gz QHMGQINAYVMXMX-CZUORRHYSA-N 1 0 271.335 3.425 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CC[C@H](c3cccnc3)C2)c(O)c1 ZINC000843419999 635665518 /nfs/dbraw/zinc/66/55/18/635665518.db2.gz YDXOYYNOLOCZCO-HNNXBMFYSA-N 1 0 298.386 3.175 20 10 CGCDRO Cc1ccc(O)c(C[N@H+]2CC3(C[C@H]2C)CCOCC3)c1 ZINC000843431833 635672396 /nfs/dbraw/zinc/67/23/96/635672396.db2.gz JVKDQAXEGWKCHU-CQSZACIVSA-N 1 0 275.392 3.092 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)CC2(CCC2)O1 ZINC000843432720 635674996 /nfs/dbraw/zinc/67/49/96/635674996.db2.gz OIZNJUYIADMNIU-LLVKDONJSA-N 1 0 281.783 3.189 20 10 CGCDRO C[C@@]1(C[NH2+]Cc2c(O)cccc2Cl)CCCS1 ZINC000127896720 635824075 /nfs/dbraw/zinc/82/40/75/635824075.db2.gz PHXRGYCVJVWOHW-ZDUSSCGKSA-N 1 0 271.813 3.421 20 10 CGCDRO CCc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC000879651054 635828472 /nfs/dbraw/zinc/82/84/72/635828472.db2.gz FWOSRWJDKKACIH-ZDUSSCGKSA-N 1 0 298.386 3.244 20 10 CGCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@H]1CCCN1C ZINC000844277281 635855053 /nfs/dbraw/zinc/85/50/53/635855053.db2.gz AHIZBHGOMRBXDK-GOSISDBHSA-N 1 0 289.467 3.057 20 10 CGCDRO C[C@]1(CC[NH2+]Cc2ccccc2O)C[C@]1(F)Cl ZINC000846040215 636135897 /nfs/dbraw/zinc/13/58/97/636135897.db2.gz WZOKMUCJAJQXAO-QWHCGFSZSA-N 1 0 257.736 3.187 20 10 CGCDRO CCOc1ccc(O)c(C[NH+]2CCC3(CC3(F)F)CC2)c1 ZINC000846054175 636139345 /nfs/dbraw/zinc/13/93/45/636139345.db2.gz FXPALVXRKVUKJN-UHFFFAOYSA-N 1 0 297.345 3.412 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]Cc1ccc2c(n1)CCC2 ZINC000846055539 636140034 /nfs/dbraw/zinc/14/00/34/636140034.db2.gz NDBQCTOLLGBGLE-UHFFFAOYSA-N 1 0 288.778 3.219 20 10 CGCDRO Cc1cc(O)c(C[NH+]2CCC([C@@H](C)CO)CC2)c(Cl)c1 ZINC000846057814 636140043 /nfs/dbraw/zinc/14/00/43/636140043.db2.gz JSMVUXBDFSXRJD-LBPRGKRZSA-N 1 0 297.826 3.194 20 10 CGCDRO CCc1cccc(C[NH2+]Cc2c(O)cccc2OC)c1 ZINC000846101080 636142415 /nfs/dbraw/zinc/14/24/15/636142415.db2.gz YSRSVXRJBPFJTM-UHFFFAOYSA-N 1 0 271.360 3.253 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]CCOc2ccccc2)c1O ZINC000846135352 636148673 /nfs/dbraw/zinc/14/86/73/636148673.db2.gz CQEYSHNMNBTCAX-CYBMUJFWSA-N 1 0 287.359 3.130 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]C[C@H](C)C(C)C)c1O ZINC000846142718 636149319 /nfs/dbraw/zinc/14/93/19/636149319.db2.gz CCELGESRAGGURE-NWDGAFQWSA-N 1 0 251.370 3.344 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]CC2CCC(OC)CC2)c1O ZINC000846151164 636150456 /nfs/dbraw/zinc/15/04/56/636150456.db2.gz UTUUOHVXHUGXNG-IYXRBSQSSA-N 1 0 293.407 3.257 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2C[C@H](OC)C23CCC3)c1O ZINC000846167685 636152333 /nfs/dbraw/zinc/15/23/33/636152333.db2.gz AZXLIVPYJBYTIV-GLQYFDAESA-N 1 0 291.391 3.009 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]CCC(C)(F)F)c1O ZINC000846170171 636153198 /nfs/dbraw/zinc/15/31/98/636153198.db2.gz MBVLJOSTCWNMNM-VIFPVBQESA-N 1 0 259.296 3.097 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]CCC2(F)CCC2)c1O ZINC000846170982 636153200 /nfs/dbraw/zinc/15/32/00/636153200.db2.gz NUPQYYXELGGIML-NSHDSACASA-N 1 0 267.344 3.334 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]CC2(SC)CCC2)c1O ZINC000846168989 636153203 /nfs/dbraw/zinc/15/32/03/636153203.db2.gz WWLGRAKMZRCQHA-NSHDSACASA-N 1 0 281.421 3.337 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCC2(CO)CCC2)cc1 ZINC000846209288 636158569 /nfs/dbraw/zinc/15/85/69/636158569.db2.gz COGYFDSNLSWMAN-HNNXBMFYSA-N 1 0 290.451 3.346 20 10 CGCDRO CCCCN(Cc1cnsn1)Cc1ccccc1O ZINC000846894221 636273187 /nfs/dbraw/zinc/27/31/87/636273187.db2.gz USAWUPMWTHASKR-UHFFFAOYSA-N 1 0 277.393 3.046 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@@H]1CCCCO1 ZINC000847077124 636329558 /nfs/dbraw/zinc/32/95/58/636329558.db2.gz HIYVBPQPQRVQDO-IRXDYDNUSA-N 1 0 276.424 3.190 20 10 CGCDRO COc1cccc(C[N@H+](CCC(C)C)C2CC2)c1O ZINC000129828657 636382451 /nfs/dbraw/zinc/38/24/51/636382451.db2.gz LQSCUMQNGSYCOA-UHFFFAOYSA-N 1 0 263.381 3.411 20 10 CGCDRO c1cc(C[NH2+][C@@H](C2CC2)[C@H]2CCCCO2)cc2c1OCC2 ZINC000848559156 636605291 /nfs/dbraw/zinc/60/52/91/636605291.db2.gz BBYNQVRKBMZVBQ-MSOLQXFVSA-N 1 0 287.403 3.059 20 10 CGCDRO CC[C@H]([NH2+]CC1(COC)CC1)c1ccc(C)cc1O ZINC000848561417 636606401 /nfs/dbraw/zinc/60/64/01/636606401.db2.gz VSXWXRXYFWFHCD-AWEZNQCLSA-N 1 0 263.381 3.168 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)c1ccccc1O)[C@H]1CCCCO1 ZINC000848567864 636610101 /nfs/dbraw/zinc/61/01/01/636610101.db2.gz RHENRQHEOPWVKB-DUVNUKRYSA-N 1 0 263.381 3.391 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@@H]1CCCCO1 ZINC000848574995 636612428 /nfs/dbraw/zinc/61/24/28/636612428.db2.gz KJJVFSKMPKREBJ-RDJZCZTQSA-N 1 0 275.392 3.059 20 10 CGCDRO COc1cccc(C[NH2+]CC2(CC3CC3)CC2)c1O ZINC000883249966 636620815 /nfs/dbraw/zinc/62/08/15/636620815.db2.gz WPWUHGTUVLAGOA-UHFFFAOYSA-N 1 0 261.365 3.071 20 10 CGCDRO CCC1(CC)[C@H]([NH2+]Cc2ccccc2O)C[C@H]1OC ZINC000131360663 636633703 /nfs/dbraw/zinc/63/37/03/636633703.db2.gz UYLKWVSHMZHWNY-HUUCEWRRSA-N 1 0 263.381 3.076 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)c1O ZINC000848882135 636671696 /nfs/dbraw/zinc/67/16/96/636671696.db2.gz LYBLQLIDGBFUGQ-CQSZACIVSA-N 1 0 285.391 3.057 20 10 CGCDRO CCc1cccc(C[NH2+]CCn2cnc3ccccc32)c1O ZINC000848895404 636678526 /nfs/dbraw/zinc/67/85/26/636678526.db2.gz STRWBPUEJPPGOS-UHFFFAOYSA-N 1 0 295.386 3.094 20 10 CGCDRO CCc1cccc(C[NH2+][C@H]2CCO[C@H](C(C)C)C2)c1O ZINC000848898990 636680844 /nfs/dbraw/zinc/68/08/44/636680844.db2.gz BRXCVIYZDCRLIV-HOTGVXAUSA-N 1 0 277.408 3.248 20 10 CGCDRO CCc1cccc(C[N@@H+](C)Cc2ccn(CC)c2)c1O ZINC000848905449 636683425 /nfs/dbraw/zinc/68/34/25/636683425.db2.gz HQWLVCNEJQYCNS-UHFFFAOYSA-N 1 0 272.392 3.408 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H](C)[C@H](O)c2ccc(C)cc2)c1O ZINC000848910919 636686642 /nfs/dbraw/zinc/68/66/42/636686642.db2.gz OIMOCZDKAPEZEL-KSSFIOAISA-N 1 0 299.414 3.475 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H](C)[C@@H](O)c2ccccc2)c1O ZINC000848912176 636687453 /nfs/dbraw/zinc/68/74/53/636687453.db2.gz NNSHEGNQAFCFOR-SUMWQHHRSA-N 1 0 285.387 3.166 20 10 CGCDRO CCc1cccc(C[NH2+][C@H](C)c2cnn(CC)c2)c1O ZINC000848915291 636688526 /nfs/dbraw/zinc/68/85/26/636688526.db2.gz VFQUWJVZVJCJNB-GFCCVEGCSA-N 1 0 273.380 3.022 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@H](CC(C)C)OC)c1O ZINC000848918347 636691877 /nfs/dbraw/zinc/69/18/77/636691877.db2.gz WWTYSOQIYYGLCX-HNNXBMFYSA-N 1 0 265.397 3.105 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)c1cc(OC)ccc1O)[C@H]1CCCOC1 ZINC000883352740 636694662 /nfs/dbraw/zinc/69/46/62/636694662.db2.gz HHDSBIYKWJJDHN-WWGRRREGSA-N 1 0 293.407 3.257 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCC[C@]23CCCO3)cc1C ZINC000883370153 636711856 /nfs/dbraw/zinc/71/18/56/636711856.db2.gz GYTLXORWEQDGRA-SJORKVTESA-N 1 0 275.392 3.200 20 10 CGCDRO COc1cc(C[NH2+][C@@H]2CCSC2)c(O)c(C(C)(C)C)c1 ZINC000850162519 636971228 /nfs/dbraw/zinc/97/12/28/636971228.db2.gz INVKRTYPPBBOOZ-GFCCVEGCSA-N 1 0 295.448 3.293 20 10 CGCDRO CCC[C@H](C)C[NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850347834 637022893 /nfs/dbraw/zinc/02/28/93/637022893.db2.gz YMJCXGSWMKDZAI-LSDHHAIUSA-N 1 0 276.424 3.300 20 10 CGCDRO CC[C@H](COCC1CC1)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000850349109 637022929 /nfs/dbraw/zinc/02/29/29/637022929.db2.gz CHABOULYDKYBQN-OAHLLOKOSA-N 1 0 294.414 3.187 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+][C@@H]1C[C@@H](O)c2ccccc21 ZINC000850369814 637032445 /nfs/dbraw/zinc/03/24/45/637032445.db2.gz BLLNEYLRGQLRJO-GDBMZVCRSA-N 1 0 289.762 3.314 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@H]2C[C@@H](O)c3ccccc32)cc1 ZINC000850370837 637033540 /nfs/dbraw/zinc/03/35/40/637033540.db2.gz TUQRTVKQCSCWGA-ZWKOTPCHSA-N 1 0 282.387 3.021 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](O)c3ccccc32)cc1C ZINC000850372707 637036123 /nfs/dbraw/zinc/03/61/23/637036123.db2.gz XQYQDWOPFUYYTM-IAGOWNOFSA-N 1 0 283.371 3.272 20 10 CGCDRO CCOc1cccc(C[NH2+][C@H]2CCc3ccc(O)cc32)c1O ZINC000850387513 637043440 /nfs/dbraw/zinc/04/34/40/637043440.db2.gz SWKDEZMCWTTWOY-INIZCTEOSA-N 1 0 299.370 3.274 20 10 CGCDRO CC1(C)[C@@H](C[NH2+]Cc2c(O)cccc2Cl)C1(F)F ZINC000850394597 637046326 /nfs/dbraw/zinc/04/63/26/637046326.db2.gz VVFBJGQLLKGELM-LLVKDONJSA-N 1 0 275.726 3.427 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C2CC(CF)(CF)C2)cc1F ZINC000850429455 637057663 /nfs/dbraw/zinc/05/76/63/637057663.db2.gz CXCSJQSHKBNQHZ-UHFFFAOYSA-N 1 0 286.341 3.069 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]C[C@H](C)c2ccccn2)c1O ZINC000850480725 637084268 /nfs/dbraw/zinc/08/42/68/637084268.db2.gz CHVFBRLZHNYJLQ-QWHCGFSZSA-N 1 0 286.375 3.250 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](C)c2ccccn2)c1 ZINC000850481705 637085714 /nfs/dbraw/zinc/08/57/14/637085714.db2.gz JBGOEARLRJPILD-STQMWFEESA-N 1 0 286.375 3.250 20 10 CGCDRO CC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850487075 637088125 /nfs/dbraw/zinc/08/81/25/637088125.db2.gz FGIVKDXVKVVZQV-IIDMSEBBSA-N 1 0 288.435 3.442 20 10 CGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@H]3CCCC3(C)C)C2)cc1 ZINC000850489404 637088699 /nfs/dbraw/zinc/08/86/99/637088699.db2.gz SYVITYSXVZVDBM-PBHICJAKSA-N 1 0 288.435 3.442 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCN(c2ccc(OC)cc2)C1)C1CC1 ZINC000850489571 637088946 /nfs/dbraw/zinc/08/89/46/637088946.db2.gz VGLBVBZRIULTJI-YOEHRIQHSA-N 1 0 274.408 3.052 20 10 CGCDRO CC[C@H](C)CC[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000850504804 637092785 /nfs/dbraw/zinc/09/27/85/637092785.db2.gz FPONZBDHKMAEKO-RYUDHWBXSA-N 1 0 251.370 3.488 20 10 CGCDRO COc1ccc(C[NH2+]Cc2ccccc2O)cc1Cl ZINC000135171034 637095845 /nfs/dbraw/zinc/09/58/45/637095845.db2.gz WNBYKSFKSRVHSF-UHFFFAOYSA-N 1 0 277.751 3.344 20 10 CGCDRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCCN3C)C1 ZINC000135167978 637095891 /nfs/dbraw/zinc/09/58/91/637095891.db2.gz MKFRRCAKUVGIAY-CZUORRHYSA-N 1 0 258.409 3.347 20 10 CGCDRO CCO[C@H]1C[C@H]([NH2+][C@H](C)c2c(C)cc(C)cc2O)C1 ZINC000850514022 637098351 /nfs/dbraw/zinc/09/83/51/637098351.db2.gz KRCMVZDURPAQBB-MGPQQGTHSA-N 1 0 263.381 3.227 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2C[C@H](O)c3ccccc32)c1O ZINC000850526308 637105674 /nfs/dbraw/zinc/10/56/74/637105674.db2.gz PENHAFJHASPHIW-XZJROXQQSA-N 1 0 299.370 3.230 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+][C@H]1C[C@H](O)c3ccccc31)CC2 ZINC000850527490 637106587 /nfs/dbraw/zinc/10/65/87/637106587.db2.gz XXADTCGHMDQIBQ-VYDXJSESSA-N 1 0 281.355 3.148 20 10 CGCDRO CCSCC[C@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000135291428 637109467 /nfs/dbraw/zinc/10/94/67/637109467.db2.gz WAXGBJDGLZAOQZ-LBPRGKRZSA-N 1 0 265.422 3.243 20 10 CGCDRO C[C@H](CN1CCC(C)CC1)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000850544037 637115872 /nfs/dbraw/zinc/11/58/72/637115872.db2.gz STZXGBYMAOZLKQ-GDBMZVCRSA-N 1 0 288.435 3.090 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H](CO)CC1CC1)c1cc(Cl)ccc1O ZINC000850543938 637116022 /nfs/dbraw/zinc/11/60/22/637116022.db2.gz BAUUFTCKQNLIPW-IUODEOHRSA-N 1 0 297.826 3.495 20 10 CGCDRO CC[C@H]([NH2+][C@H]1C[C@@H](O)C12CCC2)c1cc(Cl)ccc1O ZINC000850547811 637116672 /nfs/dbraw/zinc/11/66/72/637116672.db2.gz XAHRUKPYLZRETM-AEGPPILISA-N 1 0 295.810 3.390 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](CO)CC2CC2)c(O)c1C ZINC000850545941 637116991 /nfs/dbraw/zinc/11/69/91/637116991.db2.gz VDMYUJLFEDJTPG-HIFRSBDPSA-N 1 0 277.408 3.068 20 10 CGCDRO C[C@H]([NH2+]Cc1c(C2CCC2)cnn1C)c1ccccc1O ZINC000850552020 637119455 /nfs/dbraw/zinc/11/94/55/637119455.db2.gz UPGQNHKXLCEASK-LBPRGKRZSA-N 1 0 285.391 3.244 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CC2CCC(O)CC2)c(O)c1C ZINC000850557764 637121457 /nfs/dbraw/zinc/12/14/57/637121457.db2.gz XMIGTMZWHCMBGL-WLYUNCDWSA-N 1 0 277.408 3.211 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F)c1nccn1C ZINC000850571779 637128948 /nfs/dbraw/zinc/12/89/48/637128948.db2.gz AOOMZXZTIGOKDN-CKYFFXLPSA-N 1 0 289.354 3.164 20 10 CGCDRO C[C@H](c1ccccc1)[C@H](O)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000850573933 637129954 /nfs/dbraw/zinc/12/99/54/637129954.db2.gz TVFAAZGIMBCHAY-RPVQJOFSSA-N 1 0 297.398 3.134 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](c2ccccc2)[C@H](C)O)c(O)c1 ZINC000850584725 637132747 /nfs/dbraw/zinc/13/27/47/637132747.db2.gz SSYJHSMKEUCQET-SUNYJGFJSA-N 1 0 285.387 3.473 20 10 CGCDRO Cc1ccccc1NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1O ZINC000109768864 637265658 /nfs/dbraw/zinc/26/56/58/637265658.db2.gz WSPQGGACMJJTSG-AWEZNQCLSA-N 1 0 298.386 3.160 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1CC[C@@H](C2CC2)O1)c1ccc(N(C)C)cc1 ZINC000886142776 637433140 /nfs/dbraw/zinc/43/31/40/637433140.db2.gz KSFAVXXSASAXPB-VHSSKADRSA-N 1 0 288.435 3.361 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1CC[C@@H](C2CC2)O1)c1ccc(N(C)C)cc1 ZINC000886142774 637433498 /nfs/dbraw/zinc/43/34/98/637433498.db2.gz KSFAVXXSASAXPB-KKXDTOCCSA-N 1 0 288.435 3.361 20 10 CGCDRO CO[C@H]1CCC[C@@H]([NH2+][C@H](C)c2ccccc2O)CC1 ZINC000886186052 637452312 /nfs/dbraw/zinc/45/23/12/637452312.db2.gz OTQIUEWFIKFPDE-MCIONIFRSA-N 1 0 263.381 3.391 20 10 CGCDRO CS[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(C)ccc1O ZINC000219177716 637508386 /nfs/dbraw/zinc/50/83/86/637508386.db2.gz CNJNTASAWHGWTR-UKRRQHHQSA-N 1 0 265.422 3.464 20 10 CGCDRO Cc1cc(C[N@H+]2CC[C@@H](C)O[C@@H](C)C2)ccc1N(C)C ZINC000852586322 637682747 /nfs/dbraw/zinc/68/27/47/637682747.db2.gz GCBXEEGLVDJBMG-CABCVRRESA-N 1 0 276.424 3.060 20 10 CGCDRO COc1cccc(O)c1C[NH2+]CC(C)(C)CC(F)(F)F ZINC000853096122 637755856 /nfs/dbraw/zinc/75/58/56/637755856.db2.gz OQFJZYHFPVQUBC-UHFFFAOYSA-N 1 0 291.313 3.469 20 10 CGCDRO CC(C)[C@H]1CCCC[C@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000112675795 638104515 /nfs/dbraw/zinc/10/45/15/638104515.db2.gz FFSRSGZGONGIRU-ZIAGYGMSSA-N 1 0 291.391 3.425 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccnn1C1CCC1 ZINC000924900779 638422621 /nfs/dbraw/zinc/42/26/21/638422621.db2.gz PAQCTHFYWGDOKH-CYBMUJFWSA-N 1 0 297.402 3.394 20 10 CGCDRO COc1ccc(C[NH2+]C2CC3(C2)COC(C)(C)C3)cc1C ZINC000924901919 638423309 /nfs/dbraw/zinc/42/33/09/638423309.db2.gz IJLLFMVPHMXOKN-UHFFFAOYSA-N 1 0 289.419 3.441 20 10 CGCDRO C[C@@H]([NH2+]Cc1cc(N)ccn1)c1cc2c(cc1O)CCCC2 ZINC000925769110 638603949 /nfs/dbraw/zinc/60/39/49/638603949.db2.gz YIMLAMBTIAZICZ-GFCCVEGCSA-N 1 0 297.402 3.099 20 10 CGCDRO COc1ccc(N2CCC([NH2+]CC3CC=CC3)CC2)cc1 ZINC000858220944 638659603 /nfs/dbraw/zinc/65/96/03/638659603.db2.gz VFFOZZQBHZTXCT-UHFFFAOYSA-N 1 0 286.419 3.220 20 10 CGCDRO CC(C)CC[C@H](CO)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000858241250 638661837 /nfs/dbraw/zinc/66/18/37/638661837.db2.gz NHXCXOXILXEJCW-FUTAKVPZSA-N 1 0 290.451 3.153 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CO[C@H](C3CC3)C2)c(O)c1C ZINC000858548989 638759561 /nfs/dbraw/zinc/75/95/61/638759561.db2.gz YRBODUKXUMVQDZ-NOLJZWGESA-N 1 0 275.392 3.227 20 10 CGCDRO CCC[C@H](O)CC[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000927018863 638832307 /nfs/dbraw/zinc/83/23/07/638832307.db2.gz PLPLXASIGLLIHD-NTZNESFSSA-N 1 0 281.371 3.220 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](C)CCc2ccco2)c(O)c1 ZINC000040905971 639898325 /nfs/dbraw/zinc/89/83/25/639898325.db2.gz CTCCLEVDVWCQGO-LBPRGKRZSA-N 1 0 275.348 3.105 20 10 CGCDRO C[C@@H]([NH2+]CCn1ccnc1)c1ccc2ccccc2c1O ZINC000041119111 639900192 /nfs/dbraw/zinc/90/01/92/639900192.db2.gz DYANDBCWVIURQG-CYBMUJFWSA-N 1 0 281.359 3.093 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2CCCCO2)cc1 ZINC000042813861 639921508 /nfs/dbraw/zinc/92/15/08/639921508.db2.gz YFRSTINHEAWIGT-QGZVFWFLSA-N 1 0 276.424 3.192 20 10 CGCDRO COc1ccc(N2CCC([NH2+][C@@H](C)C3(C)CC3)CC2)cc1 ZINC000157429870 639990362 /nfs/dbraw/zinc/99/03/62/639990362.db2.gz NIHYSPCURBYWNZ-AWEZNQCLSA-N 1 0 288.435 3.442 20 10 CGCDRO COc1cc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)c(O)cc1C ZINC000160061585 640088076 /nfs/dbraw/zinc/08/80/76/640088076.db2.gz JGCNBGGLUOCEQP-ZFWWWQNUSA-N 1 0 275.392 3.474 20 10 CGCDRO COC[C@H](Cc1ccccc1)[N@H+](C)Cc1cccc(C)c1O ZINC000187993212 640111663 /nfs/dbraw/zinc/11/16/63/640111663.db2.gz ZVSGTFXONKULAR-SFHVURJKSA-N 1 0 299.414 3.390 20 10 CGCDRO C[N@H+](Cc1cc(F)ccc1O)CC1(O)CCCCCC1 ZINC000190141964 640230109 /nfs/dbraw/zinc/23/01/09/640230109.db2.gz PGWIFUCSPLBAFV-UHFFFAOYSA-N 1 0 281.371 3.048 20 10 CGCDRO CC[C@H](C)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000088510821 640619167 /nfs/dbraw/zinc/61/91/67/640619167.db2.gz DTGUTOFEYVDUCN-HOCLYGCPSA-N 1 0 277.408 3.419 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)C[C@@H]2CCC[C@H]2O)cc1 ZINC000245697121 640632494 /nfs/dbraw/zinc/63/24/94/640632494.db2.gz BFGWBDVZAKTZNT-FUHWJXTLSA-N 1 0 290.451 3.126 20 10 CGCDRO C[C@@H]([NH2+]CCN1CCCC[C@H]1C)c1ccc(N(C)C)cc1 ZINC000246873325 640697625 /nfs/dbraw/zinc/69/76/25/640697625.db2.gz DNWUOMLRQVVGRS-HZPDHXFCSA-N 1 0 289.467 3.278 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)c(O)c1 ZINC000248489854 640763493 /nfs/dbraw/zinc/76/34/93/640763493.db2.gz HOKSUTALOUACJE-XJFOESAGSA-N 1 0 263.381 3.307 20 10 CGCDRO Cc1cc(O)c(C[N@H+](CCO)CCc2ccccc2)cc1C ZINC000093389634 640769047 /nfs/dbraw/zinc/76/90/47/640769047.db2.gz VEDOZEFUTTZREQ-UHFFFAOYSA-N 1 0 299.414 3.046 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)[C@@H](O)Cc1ccccc1)c1ccccc1O ZINC000248553233 640769114 /nfs/dbraw/zinc/76/91/14/640769114.db2.gz JMLBQZLXSUUFAS-LJHODMEESA-N 1 0 299.414 3.425 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)[C@@H](O)Cc1ccccc1)c1ccccc1O ZINC000248553231 640769762 /nfs/dbraw/zinc/76/97/62/640769762.db2.gz JMLBQZLXSUUFAS-FNHZYXHNSA-N 1 0 299.414 3.425 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](C)[C@H](C)C2)c1O ZINC000093480866 640771851 /nfs/dbraw/zinc/77/18/51/640771851.db2.gz UDKOYKSKEPLTEO-CHWSQXEVSA-N 1 0 263.381 3.269 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CCS[C@H](CC)C2)c1 ZINC000093502361 640773329 /nfs/dbraw/zinc/77/33/29/640773329.db2.gz OYOSGYFXTKXGHL-CQSZACIVSA-N 1 0 281.421 3.118 20 10 CGCDRO Oc1cc2ccccc2cc1C[NH2+]C[C@@H](O)c1ccccc1 ZINC001252011495 805973584 /nfs/dbraw/zinc/97/35/84/805973584.db2.gz YQBHFOTWRYMJTE-LJQANCHMSA-N 1 0 293.366 3.369 20 10 CGCDRO C[N@@H+](Cc1ccc(N2CCCC2)cc1)C[C@@H](O)C(C)(C)C ZINC001253725582 806286991 /nfs/dbraw/zinc/28/69/91/806286991.db2.gz XLVZJPMFIPSXDP-QGZVFWFLSA-N 1 0 290.451 3.126 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CCCc1cnn(C)c1 ZINC001254722043 806487031 /nfs/dbraw/zinc/48/70/31/806487031.db2.gz XTMKRURYSOFNEL-UKRRQHHQSA-N 1 0 299.418 3.205 20 10 CGCDRO CO[C@@H]1CC[C@H]([NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)C1 ZINC001255615819 806681400 /nfs/dbraw/zinc/68/14/00/806681400.db2.gz FAMBUKVMVFLTCT-XZUYRWCXSA-N 1 0 279.355 3.237 20 10 CGCDRO CC(C)C[C@@H](C[NH2+][C@@H](C)c1ccc(N(C)C)cc1)N(C)C ZINC000037240712 798863807 /nfs/dbraw/zinc/86/38/07/798863807.db2.gz OACDTIMDGRHDGO-YJBOKZPZSA-N 1 0 291.483 3.380 20 10 CGCDRO CCCC[NH+]1CCC(NCc2ccc(OC)c(C)c2)CC1 ZINC000037319117 798866504 /nfs/dbraw/zinc/86/65/04/798866504.db2.gz RYNUDCOWRINHQP-UHFFFAOYSA-N 1 0 290.451 3.358 20 10 CGCDRO CC(C)(C[NH2+]Cc1ccccc1O)c1ccccc1 ZINC000037934728 798879862 /nfs/dbraw/zinc/87/98/62/798879862.db2.gz RHJMQHKNTVZQOJ-UHFFFAOYSA-N 1 0 255.361 3.460 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2Cc3ccccc3O2)c(O)c1 ZINC000038009526 798884054 /nfs/dbraw/zinc/88/40/54/798884054.db2.gz MWAGHIDANKNMOC-HIFRSBDPSA-N 1 0 283.371 3.355 20 10 CGCDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)C12CCC2 ZINC000087709142 798947056 /nfs/dbraw/zinc/94/70/56/798947056.db2.gz FUKGPZKGPCYFGF-SJORKVTESA-N 1 0 288.435 3.190 20 10 CGCDRO COc1ccc(C[N@@H+]2CCC3(CCCC3)C2)c(O)c1 ZINC000093336696 798964293 /nfs/dbraw/zinc/96/42/93/798964293.db2.gz PCCBXFYVHGQQDI-UHFFFAOYSA-N 1 0 261.365 3.167 20 10 CGCDRO COc1cccc(C[N@@H+]2C[C@H](C)C[C@@H](C)[C@@H]2C)c1O ZINC000168237207 799085867 /nfs/dbraw/zinc/08/58/67/799085867.db2.gz CZVWNIIBPMGVNP-UPJWGTAASA-N 1 0 263.381 3.267 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCS[C@H]2C)c(O)c1 ZINC000379934882 799354181 /nfs/dbraw/zinc/35/41/81/799354181.db2.gz VNURCYIEMJQQRR-GMXVVIOVSA-N 1 0 251.395 3.245 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2cc(Br)ccc2O)[C@@H]1C ZINC000380726793 799365819 /nfs/dbraw/zinc/36/58/19/799365819.db2.gz FWIKOHVJPIUNHQ-NXEZZACHSA-N 1 0 284.197 3.385 20 10 CGCDRO COc1cccc(C[NH2+]Cc2cc(C)cs2)c1O ZINC000386238983 799432768 /nfs/dbraw/zinc/43/27/68/799432768.db2.gz QVRKLLJTMSCJML-UHFFFAOYSA-N 1 0 263.362 3.061 20 10 CGCDRO C[C@@H]([NH2+]CCCc1nccs1)c1ccc(N(C)C)cc1 ZINC000391138276 799476420 /nfs/dbraw/zinc/47/64/20/799476420.db2.gz JHWOYJJHFYGVOG-CYBMUJFWSA-N 1 0 289.448 3.493 20 10 CGCDRO C1=CCN(CC[NH2+]Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000392259234 799480597 /nfs/dbraw/zinc/48/05/97/799480597.db2.gz DPZYILBJHLVNLR-UHFFFAOYSA-N 1 0 299.462 3.028 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](CO)C(C)(C)C)cc1 ZINC000393973388 799492191 /nfs/dbraw/zinc/49/21/91/799492191.db2.gz DIKBLZPLAKFTAK-INIZCTEOSA-N 1 0 278.440 3.029 20 10 CGCDRO COc1ccc(C[NH2+]CCSC(C)C)cc1C ZINC000393886153 799492475 /nfs/dbraw/zinc/49/24/75/799492475.db2.gz RYXFTUNHWJSHQI-UHFFFAOYSA-N 1 0 253.411 3.235 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)cc1 ZINC000395091255 799502140 /nfs/dbraw/zinc/50/21/40/799502140.db2.gz ZXSBINYRXQJKFA-CKEIUWERSA-N 1 0 276.424 3.188 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2C[C@H](C)O[C@@H]2C)cc1 ZINC000395091258 799502163 /nfs/dbraw/zinc/50/21/63/799502163.db2.gz ZXSBINYRXQJKFA-JJRVBVJISA-N 1 0 276.424 3.188 20 10 CGCDRO COCCCC[N@H+](C)Cc1c(O)ccc2ccccc21 ZINC000397096260 799513403 /nfs/dbraw/zinc/51/34/03/799513403.db2.gz AUNYTLFPAZLMRT-UHFFFAOYSA-N 1 0 273.376 3.404 20 10 CGCDRO CC[N@H+](Cc1cc(Cl)cc(OC)c1O)[C@H]1CCCOC1 ZINC000402731576 799563726 /nfs/dbraw/zinc/56/37/26/799563726.db2.gz KNWDQQFLBJVDBR-ZDUSSCGKSA-N 1 0 299.798 3.055 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000403355658 799565630 /nfs/dbraw/zinc/56/56/30/799565630.db2.gz JJSRVIZVDWABAL-UMSGYPCISA-N 1 0 261.365 3.240 20 10 CGCDRO CC[C@@H]1C[N@H+](Cc2cccc(C)c2O)[C@@H](CC)CO1 ZINC000403890109 799572351 /nfs/dbraw/zinc/57/23/51/799572351.db2.gz WMJCAHRGNIPWQP-LSDHHAIUSA-N 1 0 263.381 3.090 20 10 CGCDRO CO[C@H](C)C[N@H+](Cc1cc(Cl)ccc1O)C(C)C ZINC000688097936 799745139 /nfs/dbraw/zinc/74/51/39/799745139.db2.gz ZHIFUWRPTUDEKN-LLVKDONJSA-N 1 0 271.788 3.291 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]C1CCC(F)(F)CC1 ZINC000688472876 799748340 /nfs/dbraw/zinc/74/83/40/799748340.db2.gz NCSQWKVTEQNHPQ-UHFFFAOYSA-N 1 0 259.271 3.199 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@]2(C)CC2(F)F)c1 ZINC000689250460 799762851 /nfs/dbraw/zinc/76/28/51/799762851.db2.gz HBFAERQIEGMMRK-ZANVPECISA-N 1 0 271.307 3.097 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CC[C@H](C)SC2)c1 ZINC000689613829 799766100 /nfs/dbraw/zinc/76/61/00/799766100.db2.gz WVQBVLHHTBZKPM-WCQYABFASA-N 1 0 251.395 3.074 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1CCN1C(C)(C)C)c1cc(F)ccc1O ZINC000690398181 799775933 /nfs/dbraw/zinc/77/59/33/799775933.db2.gz RWQAPLIJIFFTRF-WCQYABFASA-N 1 0 280.387 3.055 20 10 CGCDRO CCSC1(C[NH2+][C@H](C)c2cc(F)ccc2O)CC1 ZINC000691802132 799786304 /nfs/dbraw/zinc/78/63/04/799786304.db2.gz XSYHELMFFWVGNZ-SNVBAGLBSA-N 1 0 269.385 3.468 20 10 CGCDRO C[C@@H]([NH2+]CCc1ccoc1)c1ccc(N(C)C)cc1 ZINC000692724865 799798151 /nfs/dbraw/zinc/79/81/51/799798151.db2.gz QSLXUPJYUQLKRT-CYBMUJFWSA-N 1 0 258.365 3.239 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+][C@]23C[C@H]2CCC3)c1O ZINC000693248062 799809461 /nfs/dbraw/zinc/80/94/61/799809461.db2.gz NAMAYUKZWGCRPC-QMTHXVAHSA-N 1 0 267.756 3.086 20 10 CGCDRO CC(C)(C)N1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000693866748 799815873 /nfs/dbraw/zinc/81/58/73/799815873.db2.gz IFEBPJZOIIONTC-CYBMUJFWSA-N 1 0 282.815 3.008 20 10 CGCDRO c1cc(C[NH2+][C@H]2CCC23CCCC3)cc2c1OCC2 ZINC000693833235 799816177 /nfs/dbraw/zinc/81/61/77/799816177.db2.gz SKRQQCHWDMBMNZ-INIZCTEOSA-N 1 0 257.377 3.434 20 10 CGCDRO C[C@@H](C[NH2+][C@@H]1CCc2cccc(O)c21)CC(F)F ZINC000697736052 799848174 /nfs/dbraw/zinc/84/81/74/799848174.db2.gz KOWKJHAKMONEMK-MWLCHTKSSA-N 1 0 255.308 3.260 20 10 CGCDRO CC[C@@H]1COC[C@H]1[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC000699524543 799862746 /nfs/dbraw/zinc/86/27/46/799862746.db2.gz OZYFLFPYNWAUIE-NVXWUHKLSA-N 1 0 276.424 3.047 20 10 CGCDRO Oc1ccc2ccccc2c1C[N@@H+]1CCC[C@H](F)C1 ZINC000701658979 799891800 /nfs/dbraw/zinc/89/18/00/799891800.db2.gz QCVMVJYRDQZDLL-ZDUSSCGKSA-N 1 0 259.324 3.479 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCN2C(C)(C)C)c(O)c1 ZINC000701951657 799899198 /nfs/dbraw/zinc/89/91/98/799899198.db2.gz BUDGBNJBEIZDDR-ZIAGYGMSSA-N 1 0 276.424 3.224 20 10 CGCDRO C[C@@H]([NH2+]CC[C@@H]1CC1(F)F)c1ccc(N(C)C)cc1 ZINC000701950194 799899993 /nfs/dbraw/zinc/89/99/93/799899993.db2.gz HSXAZYHOZCAXRB-DGCLKSJQSA-N 1 0 268.351 3.449 20 10 CGCDRO Cc1csc([C@H](C)[NH2+]Cc2ccc(F)c(F)c2[O-])n1 ZINC000703340998 799923527 /nfs/dbraw/zinc/92/35/27/799923527.db2.gz MZVRKFUTJWDRJR-QMMMGPOBSA-N 1 0 284.331 3.286 20 10 CGCDRO CCCO[C@H]1CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000706217051 799958864 /nfs/dbraw/zinc/95/88/64/799958864.db2.gz QAHOBPHRYXRJRB-NSHDSACASA-N 1 0 269.772 3.047 20 10 CGCDRO C[C@@H]([NH2+]CCc1ccns1)c1ccc(N(C)C)cc1 ZINC000709824748 800020260 /nfs/dbraw/zinc/02/02/60/800020260.db2.gz IOFYNGUJCFKARU-GFCCVEGCSA-N 1 0 275.421 3.102 20 10 CGCDRO COc1ccc(C[NH2+]C[C@H]2CCC(C)(C)CO2)cc1C ZINC000711355866 800053097 /nfs/dbraw/zinc/05/30/97/800053097.db2.gz SFPYKGIXPBQPJC-OAHLLOKOSA-N 1 0 277.408 3.298 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+][C@H](C1CCC1)[C@H]1CCOC1 ZINC000711839039 800074600 /nfs/dbraw/zinc/07/46/00/800074600.db2.gz DQQIRVDCKLWPJH-BLLLJJGKSA-N 1 0 295.810 3.340 20 10 CGCDRO Oc1ccccc1CNc1ccc2c([nH+]1)CCCC2 ZINC000712371554 800085202 /nfs/dbraw/zinc/08/52/02/800085202.db2.gz PMVVETUPCCVOJZ-UHFFFAOYSA-N 1 0 254.333 3.278 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]CC[C@H]2CCCS2)c1 ZINC000715611048 800141312 /nfs/dbraw/zinc/14/13/12/800141312.db2.gz NTVOUALEHWELLB-CYBMUJFWSA-N 1 0 251.395 3.076 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)CC2(C)OCCO2)c(O)c1 ZINC000715996429 800158622 /nfs/dbraw/zinc/15/86/22/800158622.db2.gz GYLPNNLAKPDHRY-UONOGXRCSA-N 1 0 293.407 3.140 20 10 CGCDRO COc1ccc(O)c(C[NH2+]CC2C[C@H]3CC[C@@H](C2)S3)c1 ZINC000716071147 800164165 /nfs/dbraw/zinc/16/41/65/800164165.db2.gz UQUFXTVPJLYKOF-PHTAMDTFSA-N 1 0 293.432 3.165 20 10 CGCDRO CO[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000799730017 800395475 /nfs/dbraw/zinc/39/54/75/800395475.db2.gz UXAXPXPQDIYTOB-XEGUGMAKSA-N 1 0 267.344 3.140 20 10 CGCDRO C[C@H]([NH2+]Cc1ccnn1CC1CC1)c1ccc(N(C)C)cc1 ZINC000850251938 800516945 /nfs/dbraw/zinc/51/69/45/800516945.db2.gz JCQLYRRIHQJMKA-AWEZNQCLSA-N 1 0 298.434 3.210 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCC[C@@H](C)O2)c(Cl)c1 ZINC000850379416 800517957 /nfs/dbraw/zinc/51/79/57/800517957.db2.gz OEEYPMKYEKNGLM-NEPJUHHUSA-N 1 0 283.799 3.401 20 10 CGCDRO Oc1cccc(Br)c1C[N@@H+]1CC[C@@H]1C1CC1 ZINC000862384992 800527235 /nfs/dbraw/zinc/52/72/35/800527235.db2.gz NHURQVRGQBQXDE-GFCCVEGCSA-N 1 0 282.181 3.139 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2cn(C)nc2C2CCCC2)c1 ZINC000922285068 800617687 /nfs/dbraw/zinc/61/76/87/800617687.db2.gz HZZBGTARKPTJRL-UHFFFAOYSA-N 1 0 299.418 3.382 20 10 CGCDRO Cc1c(C)c(N2CC[C@@H]([NH3+])C2)ccc1OCc1ccccc1 ZINC001164289252 806929332 /nfs/dbraw/zinc/92/93/32/806929332.db2.gz WNRGZWPFYSFTTO-QGZVFWFLSA-N 1 0 296.414 3.420 20 10 CGCDRO CC(C)O[C@@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001118199275 802537844 /nfs/dbraw/zinc/53/78/44/802537844.db2.gz FSRBPQDKWPSFQL-GOSISDBHSA-N 1 0 288.435 3.286 20 10 CGCDRO CS[C@@H]1CC[N@H+](Cc2cc(C(C)C)ccc2O)C1 ZINC001206014428 813166775 /nfs/dbraw/zinc/16/67/75/813166775.db2.gz FKSPBBHFDHOJAP-CQSZACIVSA-N 1 0 265.422 3.453 20 10 CGCDRO C[C@@H](C[N@@H+]1CCCc2cc(O)c(O)cc2C1)C(F)(F)F ZINC001208892063 813884115 /nfs/dbraw/zinc/88/41/15/813884115.db2.gz NHYDJVOCIODBKJ-VIFPVBQESA-N 1 0 289.297 3.044 20 10 CGCDRO Cc1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)c(C)n1-c1ccccc1 ZINC001137854141 803784020 /nfs/dbraw/zinc/78/40/20/803784020.db2.gz JVLSQURLMZWKGG-KDURUIRLSA-N 1 0 296.414 3.457 20 10 CGCDRO Cc1c(CN2CC[N@@H+](C(C)C)[C@@H](C)C2)c2ccccc2n1C ZINC001138259485 803885636 /nfs/dbraw/zinc/88/56/36/803885636.db2.gz IGDCHSULKYXNOK-HNNXBMFYSA-N 1 0 299.462 3.401 20 10 CGCDRO Cc1ccc2c(c1)C[C@H]([NH2+]Cc1ccc(N)cc1)CC2 ZINC001246170553 804186686 /nfs/dbraw/zinc/18/66/86/804186686.db2.gz MYVXFZYZSVSPGF-GOSISDBHSA-N 1 0 266.388 3.224 20 10 CGCDRO Cc1cnc(Cl)c(CN2CCc3cccc(O)c3C2)c1 ZINC001139595016 804216800 /nfs/dbraw/zinc/21/68/00/804216800.db2.gz GZXGNGJZWSEMIH-UHFFFAOYSA-N 1 0 288.778 3.307 20 10 CGCDRO Cc1ccn2cc(CN(C)Cc3cc(F)ccc3O)nc2c1 ZINC001140056055 804363748 /nfs/dbraw/zinc/36/37/48/804363748.db2.gz GLHOCOHIOOHDBN-UHFFFAOYSA-N 1 0 299.349 3.119 20 10 CGCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@]3(C2)CCCOC3)c1O ZINC001140183303 804396569 /nfs/dbraw/zinc/39/65/69/804396569.db2.gz BCTINLDAYGEJKB-KRWDZBQOSA-N 1 0 275.392 3.012 20 10 CGCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@H](C(F)(F)F)C2)c1O ZINC001140182068 804397299 /nfs/dbraw/zinc/39/72/99/804397299.db2.gz HOZUEMKARGHKRI-NSHDSACASA-N 1 0 273.298 3.393 20 10 CGCDRO Oc1cccc(Cl)c1C[NH+]1CC2(C1)C[C@H](F)CS2 ZINC001140342064 804419850 /nfs/dbraw/zinc/41/98/50/804419850.db2.gz RMSSJYBRBNCCOF-VIFPVBQESA-N 1 0 287.787 3.075 20 10 CGCDRO COC1(C)CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001140461075 804441556 /nfs/dbraw/zinc/44/15/56/804441556.db2.gz DICYZGMFNYXGCX-UHFFFAOYSA-N 1 0 269.772 3.047 20 10 CGCDRO Cc1ccc(O)c(CN2CCCCC(F)(F)C2)c1 ZINC001140617315 804476967 /nfs/dbraw/zinc/47/69/67/804476967.db2.gz MNRILCIHQJIKEY-UHFFFAOYSA-N 1 0 255.308 3.322 20 10 CGCDRO CC[C@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1F ZINC001140661589 804486007 /nfs/dbraw/zinc/48/60/07/804486007.db2.gz KNELXFIGLQVTJK-HNNXBMFYSA-N 1 0 292.398 3.037 20 10 CGCDRO Cc1c(O)ccc(C[NH+]2CC3(C2)CCCCC3)c1O ZINC001140747925 804505353 /nfs/dbraw/zinc/50/53/53/804505353.db2.gz NVGJXRXAXHSHAW-UHFFFAOYSA-N 1 0 261.365 3.172 20 10 CGCDRO Cc1cc(F)ccc1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001140781960 804512032 /nfs/dbraw/zinc/51/20/32/804512032.db2.gz WNQPBEGEQFQZRB-UHFFFAOYSA-N 1 0 271.335 3.398 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)CCC2CC2)c(O)c1 ZINC001140855538 804533688 /nfs/dbraw/zinc/53/36/88/804533688.db2.gz DORNWFZHOXZFLI-UHFFFAOYSA-N 1 0 276.424 3.470 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)Cc2ccncc2)c(O)c1 ZINC001140850023 804534080 /nfs/dbraw/zinc/53/40/80/804534080.db2.gz ARVIXHQUORCRPD-UHFFFAOYSA-N 1 0 299.418 3.265 20 10 CGCDRO CC[N@H+](Cc1ccccc1O)Cc1ccc(O)c(F)c1F ZINC001140893211 804545005 /nfs/dbraw/zinc/54/50/05/804545005.db2.gz KYAMVSRYGYBAOW-UHFFFAOYSA-N 1 0 293.313 3.398 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCc3cc(F)ccc3C2)c(O)c1 ZINC001140957480 804557424 /nfs/dbraw/zinc/55/74/24/804557424.db2.gz AOUOCSTZYSIWSW-UHFFFAOYSA-N 1 0 271.335 3.398 20 10 CGCDRO Cc1ccc(C[N@H+](C)Cc2cccnc2C)c(O)c1 ZINC001140953608 804557840 /nfs/dbraw/zinc/55/78/40/804557840.db2.gz DKTAFSOFNKIWEG-UHFFFAOYSA-N 1 0 256.349 3.036 20 10 CGCDRO CN1CCOc2cc(C[N@H+](C)Cc3ccccc3)ccc21 ZINC001141138907 804597032 /nfs/dbraw/zinc/59/70/32/804597032.db2.gz CTTIJHIVNBSNFM-UHFFFAOYSA-N 1 0 282.387 3.147 20 10 CGCDRO C[N@H+](Cc1cc(O)ccc1O)[C@@H]1CCc2ccccc21 ZINC001141162890 804601420 /nfs/dbraw/zinc/60/14/20/804601420.db2.gz JIWDBQSVYISANJ-MRXNPFEDSA-N 1 0 269.344 3.217 20 10 CGCDRO C[N@H+](Cc1ccc(Cl)cc1)Cc1cc(O)ccc1O ZINC001141160461 804602102 /nfs/dbraw/zinc/60/21/02/804602102.db2.gz ZDMPGECZGWYQIM-UHFFFAOYSA-N 1 0 277.751 3.383 20 10 CGCDRO Oc1ccc(O)c(C[N@@H+]2CC[C@H](c3ccccc3F)C2)c1 ZINC001141160054 804602242 /nfs/dbraw/zinc/60/22/42/804602242.db2.gz QFZFNHDBOIQYCC-LBPRGKRZSA-N 1 0 287.334 3.226 20 10 CGCDRO C[N@H+](CCc1cccs1)Cc1cc(F)c(F)cc1[O-] ZINC001142524915 804731730 /nfs/dbraw/zinc/73/17/30/804731730.db2.gz PMUOMYAOOYUNSG-UHFFFAOYSA-N 1 0 283.343 3.406 20 10 CGCDRO [O-]c1cc(F)c(F)cc1C[N@@H+]1CCCCC12CC2 ZINC001142527206 804733742 /nfs/dbraw/zinc/73/37/42/804733742.db2.gz OIYZOMDDANNNLV-UHFFFAOYSA-N 1 0 253.292 3.189 20 10 CGCDRO COC[C@H]1CCC[N@@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001143104471 804802341 /nfs/dbraw/zinc/80/23/41/804802341.db2.gz SVXLPCDAVHFXHA-CQSZACIVSA-N 1 0 277.408 3.301 20 10 CGCDRO CCC1(O)CC[NH+](Cc2cccc(C(C)(C)C)c2O)CC1 ZINC001143112284 804803858 /nfs/dbraw/zinc/80/38/58/804803858.db2.gz OIODACWUPRZKKM-UHFFFAOYSA-N 1 0 291.435 3.427 20 10 CGCDRO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2c(O)cc(O)cc2O)c1 ZINC001144499816 804995856 /nfs/dbraw/zinc/99/58/56/804995856.db2.gz JYYYUHVIDKWDEW-INIZCTEOSA-N 1 0 299.370 3.449 20 10 CGCDRO CCCCC1CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144504642 804997269 /nfs/dbraw/zinc/99/72/69/804997269.db2.gz YKZQXCLTYZJFPS-UHFFFAOYSA-N 1 0 279.380 3.206 20 10 CGCDRO CC(C)(C)c1cc(O)c(C[N@@H+]2CC[C@H](CO)C2)cc1Cl ZINC001248883464 805033386 /nfs/dbraw/zinc/03/33/86/805033386.db2.gz HYPMDOCVVZZJBK-NSHDSACASA-N 1 0 297.826 3.157 20 10 CGCDRO CC[N@H+](Cc1ccccc1O)C1CCN(C(C)C)CC1 ZINC001257222045 807064838 /nfs/dbraw/zinc/06/48/38/807064838.db2.gz QJPHUVRZLOZLEO-UHFFFAOYSA-N 1 0 276.424 3.087 20 10 CGCDRO CCC[C@H](CC)[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC001257257561 807073186 /nfs/dbraw/zinc/07/31/86/807073186.db2.gz SQWCCIYLOOHIGC-HNNXBMFYSA-N 1 0 276.424 3.396 20 10 CGCDRO C[C@@H](Cc1ccco1)[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001258198836 807358941 /nfs/dbraw/zinc/35/89/41/807358941.db2.gz KRWNMVAZNWEYMC-LBPRGKRZSA-N 1 0 287.359 3.070 20 10 CGCDRO CSC(C)(C)C[C@@H](C)[NH2+]Cc1ccc(O)cc1O ZINC001258323915 807410522 /nfs/dbraw/zinc/41/05/22/807410522.db2.gz JNSONFWGJVUKGG-SNVBAGLBSA-N 1 0 269.410 3.108 20 10 CGCDRO CCOc1ccc(N2CC[NH+]([C@H](C)CC3CC3)CC2)cc1 ZINC001258470813 807469994 /nfs/dbraw/zinc/46/99/94/807469994.db2.gz QYMPJEUWBXUPIY-OAHLLOKOSA-N 1 0 288.435 3.396 20 10 CGCDRO C[C@@H]1C[C@@H](C[NH2+]Cc2ccc(N3CCCC3)cc2)[C@H](C)O1 ZINC001261368308 807739701 /nfs/dbraw/zinc/73/97/01/807739701.db2.gz ZISQQHRLOVNEKB-VYDXJSESSA-N 1 0 288.435 3.190 20 10 CGCDRO CCOc1ccc(C[NH2+][C@H]2CCC[C@H](F)C2)c(O)c1 ZINC001261493573 807751198 /nfs/dbraw/zinc/75/11/98/807751198.db2.gz ICVNYJGNUCSGKT-STQMWFEESA-N 1 0 267.344 3.161 20 10 CGCDRO CCOc1ccc(C[NH2+][C@@H]2CCC[C@H](F)C2)c(O)c1 ZINC001261493572 807751349 /nfs/dbraw/zinc/75/13/49/807751349.db2.gz ICVNYJGNUCSGKT-QWHCGFSZSA-N 1 0 267.344 3.161 20 10 CGCDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)[C@@H]1CCCOCC1 ZINC001170827864 807919227 /nfs/dbraw/zinc/91/92/27/807919227.db2.gz OIMACDDEYIGCJV-QGZVFWFLSA-N 1 0 288.435 3.288 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H]2Cc3cccc(F)c3C2)c1O ZINC001171782806 808139050 /nfs/dbraw/zinc/13/90/50/808139050.db2.gz GEVYDYBIKSHJQN-CQSZACIVSA-N 1 0 271.335 3.097 20 10 CGCDRO CC[N@H+](Cc1ccccc1O)[C@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172128346 808187151 /nfs/dbraw/zinc/18/71/51/808187151.db2.gz RGRYZRHNILXGLL-FVQHAEBGSA-N 1 0 288.435 3.229 20 10 CGCDRO Cc1ccc2c(c1)C[C@H]([NH2+]Cc1ccc(O)cc1O)CC2 ZINC001172836204 808452365 /nfs/dbraw/zinc/45/23/65/808452365.db2.gz UCQVHSKNMRJHET-MRXNPFEDSA-N 1 0 283.371 3.053 20 10 CGCDRO COc1ccc(N2CC[C@H]3[C@@H]2CC[N@@H+]3C2CCCC2)cc1 ZINC001276927781 809044591 /nfs/dbraw/zinc/04/45/91/809044591.db2.gz UWFRIGMKOCVXNP-ROUUACIJSA-N 1 0 286.419 3.291 20 10 CGCDRO Cc1c[nH+]ccc1Nc1c(O)cccc1C(F)(F)F ZINC001174538503 809071501 /nfs/dbraw/zinc/07/15/01/809071501.db2.gz HYZQRCXSMMJDJL-UHFFFAOYSA-N 1 0 268.238 3.280 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1ccccc1O ZINC001175418601 809397356 /nfs/dbraw/zinc/39/73/56/809397356.db2.gz LXJCQZLMOPWDPL-JTQLQIEISA-N 1 0 290.294 3.290 20 10 CGCDRO COC1(C[NH2+]Cc2ccc3c(c2)CCCO3)CCCCC1 ZINC001178523930 809873842 /nfs/dbraw/zinc/87/38/42/809873842.db2.gz CHTPVULCNNKGAQ-UHFFFAOYSA-N 1 0 289.419 3.451 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@H](C)[C@@H](C)OC)cc1C ZINC001178831041 809891036 /nfs/dbraw/zinc/89/10/36/809891036.db2.gz FSMNKEUVKGJCFW-ZIAGYGMSSA-N 1 0 265.397 3.297 20 10 CGCDRO CCO[C@H]1C[C@H]([NH2+]Cc2c(C)c3ccccc3n2C)C1 ZINC001179096439 809904702 /nfs/dbraw/zinc/90/47/02/809904702.db2.gz XPMCYXAEYWQOTC-HDJSIYSDSA-N 1 0 272.392 3.144 20 10 CGCDRO Cc1ccc(CN2CC[NH+](CCC(C)(C)C)CC2)c(O)c1 ZINC001179966394 809963543 /nfs/dbraw/zinc/96/35/43/809963543.db2.gz LEULEAJOGGJDDK-UHFFFAOYSA-N 1 0 290.451 3.254 20 10 CGCDRO COc1cc(C)c(C[N@H+](C)[C@@H](C)C2(C)CC2)c(O)c1 ZINC001179973536 809964862 /nfs/dbraw/zinc/96/48/62/809964862.db2.gz BXYHRXWNWBIXRU-LBPRGKRZSA-N 1 0 263.381 3.330 20 10 CGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@@H](C3CC3)C2)cc1 ZINC001180082805 809972086 /nfs/dbraw/zinc/97/20/86/809972086.db2.gz TVEXINRVLRZPLE-REMYHPOOSA-N 1 0 270.420 3.498 20 10 CGCDRO Cc1cc(O)c(CN2CCC[N@@H+](C(C)C)CC2)cc1Cl ZINC001180488242 810006389 /nfs/dbraw/zinc/00/63/89/810006389.db2.gz FUTPBTXFKXDWQA-UHFFFAOYSA-N 1 0 296.842 3.270 20 10 CGCDRO COc1cc(C)c(C[NH2+]CC[C@@H]2CCO[C@@H](C)C2)c(O)c1 ZINC001180810625 810022827 /nfs/dbraw/zinc/02/28/27/810022827.db2.gz NWOSKCUAUQXSMT-UONOGXRCSA-N 1 0 293.407 3.004 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CCSCC[C@@H]2C)c(O)c1 ZINC001180866089 810024488 /nfs/dbraw/zinc/02/44/88/810024488.db2.gz YPCVZWMDDJFGGO-LBPRGKRZSA-N 1 0 281.421 3.037 20 10 CGCDRO CC(C)C[C@@H](CN(C)C)[NH2+]Cc1ccc(Cl)cc1O ZINC001184206239 810182829 /nfs/dbraw/zinc/18/28/29/810182829.db2.gz JHFPLQNJMJIFJH-AWEZNQCLSA-N 1 0 284.831 3.112 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@@](C)(CO)CCC)cc1C ZINC001200425051 811688626 /nfs/dbraw/zinc/68/86/26/811688626.db2.gz UJGSVCHYLRNEAI-QGZVFWFLSA-N 1 0 279.424 3.425 20 10 CGCDRO CN(C)c1ccc(NCc2cc(Cl)cc(F)c2O)cn1 ZINC001201364986 811820171 /nfs/dbraw/zinc/82/01/71/811820171.db2.gz MMSXOSHGTZREQJ-UHFFFAOYSA-N 1 0 295.745 3.258 20 10 CGCDRO Oc1cc2c(cc1O)C[N@H+](CCc1ccccc1)CCC2 ZINC001201606345 811920000 /nfs/dbraw/zinc/92/00/00/811920000.db2.gz ZDWDJBJMJPITLY-UHFFFAOYSA-N 1 0 283.371 3.089 20 10 CGCDRO Oc1cc2c(cc1O)C[N@H+](CC1CCCC1)CCC2 ZINC001202177916 812031697 /nfs/dbraw/zinc/03/16/97/812031697.db2.gz HGRWNQCWIHHBBQ-UHFFFAOYSA-N 1 0 261.365 3.036 20 10 CGCDRO C[C@H]1CC[N@H+](Cc2ccccc2O)CCC1(F)F ZINC001203550043 812390487 /nfs/dbraw/zinc/39/04/87/812390487.db2.gz FZTPGZIVPLIVHG-NSHDSACASA-N 1 0 255.308 3.259 20 10 CGCDRO Cc1ncccc1C[N@@H+](C)Cc1cc(Cl)ccc1O ZINC001203664644 812422039 /nfs/dbraw/zinc/42/20/39/812422039.db2.gz OWMUEZMDYXSEFT-UHFFFAOYSA-N 1 0 276.767 3.381 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC(=O)[C@@H]3CCCC[C@H]32)cc1 ZINC001203930548 812495120 /nfs/dbraw/zinc/49/51/20/812495120.db2.gz YIAYDIKBOGBNDQ-IAGOWNOFSA-N 1 0 286.419 3.086 20 10 CGCDRO Oc1ccc(C[N@@H+]2CCc3cc(Cl)ccc3C2)c(O)c1 ZINC001204278304 812593650 /nfs/dbraw/zinc/59/36/50/812593650.db2.gz DGRLWWGRNKPJRZ-UHFFFAOYSA-N 1 0 289.762 3.310 20 10 CGCDRO Oc1ccc(C[N@H+]2CC=C(c3ccccc3)CC2)c(O)c1 ZINC001204279959 812594588 /nfs/dbraw/zinc/59/45/88/812594588.db2.gz GMMJVHXFFOOWJF-UHFFFAOYSA-N 1 0 281.355 3.387 20 10 CGCDRO Cc1ccc(C[N@@H+](C)Cc2ccc(O)cc2O)cc1C ZINC001204277242 812594793 /nfs/dbraw/zinc/59/47/93/812594793.db2.gz ADCVBHIITCKQAD-UHFFFAOYSA-N 1 0 271.360 3.347 20 10 CGCDRO COc1ccc2c(c1)C[N@@H+](Cc1ccc(O)cc1O)CCC2 ZINC001204277907 812595247 /nfs/dbraw/zinc/59/52/47/812595247.db2.gz OHSIVHBZOMJFOU-UHFFFAOYSA-N 1 0 299.370 3.055 20 10 CGCDRO CCc1ccc(C[N@H+](C)Cc2ccc(O)cc2O)cc1 ZINC001204281038 812595780 /nfs/dbraw/zinc/59/57/80/812595780.db2.gz NWRBLIOAHBFHHA-UHFFFAOYSA-N 1 0 271.360 3.292 20 10 CGCDRO C[N@H+](CC/C=C/c1cccnc1)Cc1ccc(O)cc1O ZINC001204281042 812596102 /nfs/dbraw/zinc/59/61/02/812596102.db2.gz NXZCOOGQDFRXIG-GORDUTHDSA-N 1 0 284.359 3.028 20 10 CGCDRO COc1cc(CN2Cc3ccccc3[C@@H](C)C2)cc(O)c1O ZINC001204341408 812616598 /nfs/dbraw/zinc/61/65/98/812616598.db2.gz BSQASDZVYOQPDR-LBPRGKRZSA-N 1 0 299.370 3.226 20 10 CGCDRO CC[N@H+](Cc1ccccn1)Cc1c(C)cc(OC)cc1O ZINC001204875583 812760810 /nfs/dbraw/zinc/76/08/10/812760810.db2.gz NUFDJAPJBIGGPO-UHFFFAOYSA-N 1 0 286.375 3.126 20 10 CGCDRO Cc1cc(CN2[C@@H](C)CC[C@H]2C[NH3+])c(C)n1-c1ccccc1 ZINC001205064144 812843486 /nfs/dbraw/zinc/84/34/86/812843486.db2.gz JQWVGMLHBYNFPL-LIRRHRJNSA-N 1 0 297.446 3.406 20 10 CGCDRO C[C@H]1CC[C@@H](CN)[N@@H+]1Cc1ccc(C(C)(C)C)cc1O ZINC001205082709 812853904 /nfs/dbraw/zinc/85/39/04/812853904.db2.gz ILCRGCCGNKGKRP-WFASDCNBSA-N 1 0 276.424 3.001 20 10 CGCDRO [NH3+][C@H]1CCCN(Cc2cc(Cl)c(Cl)cc2O)CC1 ZINC001205123922 812876197 /nfs/dbraw/zinc/87/61/97/812876197.db2.gz HIQLGNOKYONSJS-JTQLQIEISA-N 1 0 289.206 3.012 20 10 CGCDRO CC[N@@H+](Cc1ccccc1O)C[C@H]1CCOC(C)(C)C1 ZINC001207359814 813550905 /nfs/dbraw/zinc/55/09/05/813550905.db2.gz AXOSFUZNUIKZRJ-AWEZNQCLSA-N 1 0 277.408 3.419 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2c(F)cc(F)cc2F)c(O)c1 ZINC001207502479 813580076 /nfs/dbraw/zinc/58/00/76/813580076.db2.gz UZZNDZCYVCKGOA-UHFFFAOYSA-N 1 0 281.277 3.408 20 10 CGCDRO C[N@H+]1CC=C(N(Cc2ccccc2)c2ccc(N)cc2)CC1 ZINC001208909420 813893586 /nfs/dbraw/zinc/89/35/86/813893586.db2.gz ABXAYRRSCVKARZ-UHFFFAOYSA-N 1 0 293.414 3.495 20 10 CGCDRO Oc1cccc(Cl)c1Nc1cc[nH+]c2c1CCC2 ZINC001215983200 815649944 /nfs/dbraw/zinc/64/99/44/815649944.db2.gz OYFVPLHRBFPSBW-UHFFFAOYSA-N 1 0 260.724 3.095 20 10 CGCDRO Oc1ccc2ccccc2c1CN1CCC[C@]2(CCC[NH2+]2)C1 ZINC001222353462 816417417 /nfs/dbraw/zinc/41/74/17/816417417.db2.gz BKXQLMGURADALO-LJQANCHMSA-N 1 0 296.414 3.263 20 10 CGCDRO CC(C)[NH+]1CCC(Oc2ccc(N(C)C)cc2)CC1 ZINC001227939533 817759414 /nfs/dbraw/zinc/75/94/14/817759414.db2.gz YIENSAJFXYTFBF-UHFFFAOYSA-N 1 0 262.397 3.004 20 10 CGCDRO Cc1cccc(CN2CC[C@@H](C)C(F)(F)C2)c1O ZINC001231591285 818131221 /nfs/dbraw/zinc/13/12/21/818131221.db2.gz ZIYJQUCOGNYPIA-LLVKDONJSA-N 1 0 255.308 3.178 20 10 CGCDRO Cc1cccc(C[N@@H+]2CC[C@H]2COCc2ccccc2)c1O ZINC001231593161 818131488 /nfs/dbraw/zinc/13/14/88/818131488.db2.gz PYGGHBGPMREFRW-SFHVURJKSA-N 1 0 297.398 3.492 20 10 CGCDRO Cc1cccc(C[NH+]2CCC3(CC(F)C3)CC2)c1O ZINC001231592448 818131815 /nfs/dbraw/zinc/13/18/15/818131815.db2.gz REFXCHYNGZNFMZ-UHFFFAOYSA-N 1 0 263.356 3.415 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCC[C@@H](c3ccccn3)C2)c1O ZINC001231593296 818132434 /nfs/dbraw/zinc/13/24/34/818132434.db2.gz UATFXXTWENSQFZ-OAHLLOKOSA-N 1 0 282.387 3.475 20 10 CGCDRO COc1cc(C[N@H+](C)Cc2cccc(C)c2)c(O)cc1O ZINC001231635226 818143778 /nfs/dbraw/zinc/14/37/78/818143778.db2.gz WRMNRZWXLVEXSU-UHFFFAOYSA-N 1 0 287.359 3.047 20 10 CGCDRO COc1cc(N(C)C)ccc1C[NH+]1CCC(C)(C)CC1 ZINC001231853622 818188377 /nfs/dbraw/zinc/18/83/77/818188377.db2.gz MWDCGOGXDFGLLT-UHFFFAOYSA-N 1 0 276.424 3.383 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@]3(CCO3)C2)cc1Cl ZINC001231870570 818193711 /nfs/dbraw/zinc/19/37/11/818193711.db2.gz JXAVDFVZUARRIB-OAHLLOKOSA-N 1 0 281.783 3.109 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@]23CCOC3)cc1Cl ZINC001231869916 818193815 /nfs/dbraw/zinc/19/38/15/818193815.db2.gz AGLIOXWNIYXOIT-HNNXBMFYSA-N 1 0 281.783 3.109 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)cc1Cl ZINC001231870277 818194182 /nfs/dbraw/zinc/19/41/82/818194182.db2.gz RIFGTTJNJAMCSP-GAFUQQFSSA-N 1 0 269.747 3.286 20 10 CGCDRO Cc1cc(O)c(C[N@H+](C)CCc2cccnc2)cc1Cl ZINC001231870687 818194279 /nfs/dbraw/zinc/19/42/79/818194279.db2.gz OJPLWGAUSHMNKX-UHFFFAOYSA-N 1 0 290.794 3.424 20 10 CGCDRO COC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(Cl)c(C)cc1O ZINC001231870387 818194453 /nfs/dbraw/zinc/19/44/53/818194453.db2.gz XSNWJBUGTLMDCQ-PBWFPOADSA-N 1 0 295.810 3.496 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)cc1Cl ZINC001231870051 818194763 /nfs/dbraw/zinc/19/47/63/818194763.db2.gz HLDFXIUCAXOWLK-CNDDSTCGSA-N 1 0 269.747 3.001 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2ccc3ccccc3c2O)CC[C@]1(C)O ZINC001231879577 818199014 /nfs/dbraw/zinc/19/90/14/818199014.db2.gz JAWYBLKINQGSPJ-ACJLOTCBSA-N 1 0 285.387 3.138 20 10 CGCDRO CC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc2ccccc2c1O ZINC001231881356 818199896 /nfs/dbraw/zinc/19/98/96/818199896.db2.gz VZGXWXVMQHUYGB-KRWDZBQOSA-N 1 0 283.371 3.489 20 10 CGCDRO CC(C)C[N@H+](C)Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232198307 818274908 /nfs/dbraw/zinc/27/49/08/818274908.db2.gz PKQNOXXHYOYGKI-UHFFFAOYSA-N 1 0 296.842 3.264 20 10 CGCDRO C[N@H+](Cc1ccc(Br)[nH]1)Cc1ccccc1O ZINC001232694428 818420666 /nfs/dbraw/zinc/42/06/66/818420666.db2.gz ORPQSODCQBVRDJ-UHFFFAOYSA-N 1 0 295.180 3.115 20 10 CGCDRO C[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2O)C[C@H]1C ZINC001232834856 818451537 /nfs/dbraw/zinc/45/15/37/818451537.db2.gz OSTUFCNUHJBBGJ-ZIAGYGMSSA-N 1 0 276.424 3.326 20 10 CGCDRO CCCC[N@H+](CC)Cc1ccc(N(C)C)cc1O ZINC001232834704 818452262 /nfs/dbraw/zinc/45/22/62/818452262.db2.gz JXSGRVRALABGNL-UHFFFAOYSA-N 1 0 250.386 3.080 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCCc3ccccc3C2)c(O)c1 ZINC001232839409 818453005 /nfs/dbraw/zinc/45/30/05/818453005.db2.gz IWXYELCBIDXDQQ-UHFFFAOYSA-N 1 0 296.414 3.407 20 10 CGCDRO CCC[N@H+](Cc1ccccc1)Cc1cc(O)c(O)c(O)c1 ZINC001233013315 818501858 /nfs/dbraw/zinc/50/18/58/818501858.db2.gz RORMCBBKVNSKEF-UHFFFAOYSA-N 1 0 287.359 3.216 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2cc(C(C)(C)C)ccc2O)C[C@]1(C)O ZINC001233284062 818566337 /nfs/dbraw/zinc/56/63/37/818566337.db2.gz GWADBHQPBBMFQQ-ACJLOTCBSA-N 1 0 291.435 3.283 20 10 CGCDRO CC(C)(C)c1ccc(O)c(C[NH+]2CC3(CSC3)C2)c1 ZINC001233286719 818568742 /nfs/dbraw/zinc/56/87/42/818568742.db2.gz GNWGBFKCXCXARZ-UHFFFAOYSA-N 1 0 277.433 3.239 20 10 CGCDRO COc1cc(Cl)cc(C[NH+]2CCC3(CC3)CC2)c1O ZINC001233287827 818569811 /nfs/dbraw/zinc/56/98/11/818569811.db2.gz ISMKZUGQOXGDEW-UHFFFAOYSA-N 1 0 281.783 3.430 20 10 CGCDRO CC[C@@H]1CCC[N@H+](Cc2c([O-])ccc(F)c2F)C1 ZINC001233335264 818584725 /nfs/dbraw/zinc/58/47/25/818584725.db2.gz OBQZHNTXFOOPIV-SNVBAGLBSA-N 1 0 255.308 3.292 20 10 CGCDRO Oc1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@H]2C[C@H]21 ZINC001233455782 818625739 /nfs/dbraw/zinc/62/57/39/818625739.db2.gz YKGFPDUMUFMITP-JOYOIKCWSA-N 1 0 271.282 3.395 20 10 CGCDRO COc1ccc2ccc(O)c(C[N@H+](C)Cc3ccno3)c2c1 ZINC001234570044 818882727 /nfs/dbraw/zinc/88/27/27/818882727.db2.gz WJLPXKNMMIYHMK-UHFFFAOYSA-N 1 0 298.342 3.174 20 10 CGCDRO COc1ccc2ccc(O)c(C[NH+]3CC(C(F)F)C3)c2c1 ZINC001234577835 818885275 /nfs/dbraw/zinc/88/52/75/818885275.db2.gz ITUONSBEBAFQQY-UHFFFAOYSA-N 1 0 293.313 3.251 20 10 CGCDRO CC[NH+]1CCN(c2ccc(O[C@@H]3CC[C@@H](C)C3)cc2)CC1 ZINC001234657520 818907433 /nfs/dbraw/zinc/90/74/33/818907433.db2.gz DKNCFSISOFINRM-CRAIPNDOSA-N 1 0 288.435 3.396 20 10 CGCDRO C[C@H]1C[N@H+](Cc2cccc(-c3ccccc3)c2O)CCC1=O ZINC001234992555 818969131 /nfs/dbraw/zinc/96/91/31/818969131.db2.gz PQFKXVFONUQZEW-AWEZNQCLSA-N 1 0 295.382 3.470 20 10 CGCDRO C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1cccc(-c2ccccc2)c1O ZINC001234990603 818970028 /nfs/dbraw/zinc/97/00/28/818970028.db2.gz IHSNRMNNPPAZSB-PBHICJAKSA-N 1 0 297.398 3.404 20 10 CGCDRO CC(C)(C)c1cccc(CN2CCC[C@@]23CC[NH2+]C3)c1O ZINC001235110305 819005744 /nfs/dbraw/zinc/00/57/44/819005744.db2.gz KKRCHIPIMLJFGI-SFHVURJKSA-N 1 0 288.435 3.018 20 10 CGCDRO Cc1cc(Cl)cc(CN2CCCC[C@@]23CC[NH2+]C3)c1O ZINC001235130289 819013374 /nfs/dbraw/zinc/01/33/74/819013374.db2.gz SJEIGRNKKGLDNR-INIZCTEOSA-N 1 0 294.826 3.072 20 10 CGCDRO CCc1ccc(CN2CCCC[C@@]23CCC[NH2+]C3)c(O)c1 ZINC001235180421 819026640 /nfs/dbraw/zinc/02/66/40/819026640.db2.gz XDOHHXUTCXIRSQ-SFHVURJKSA-N 1 0 288.435 3.063 20 10 CGCDRO Nc1ccc(C[N@@H+]2CC[C@H](Cc3ccccc3)C2)cc1 ZINC001235713436 819148827 /nfs/dbraw/zinc/14/88/27/819148827.db2.gz ADQOHMXYCNEWEI-QGZVFWFLSA-N 1 0 266.388 3.333 20 10 CGCDRO C[C@H]1CC[C@H]([NH3+])CN1Cc1cccc(-c2ccccc2)c1O ZINC001235905034 819214450 /nfs/dbraw/zinc/21/44/50/819214450.db2.gz KNIKVALVXJDABW-YOEHRIQHSA-N 1 0 296.414 3.371 20 10 CGCDRO CN(Cc1cc2ccccc2cc1O)[C@@]1(C)CCC[NH2+]C1 ZINC001236206159 819368555 /nfs/dbraw/zinc/36/85/55/819368555.db2.gz ITAWJGMHOPMGPL-SFHVURJKSA-N 1 0 284.403 3.119 20 10 CGCDRO Cc1c(CN(C)[C@H]2CCCC[C@@H]2[NH3+])c2ccccc2n1C ZINC001236214183 819375233 /nfs/dbraw/zinc/37/52/33/819375233.db2.gz COFMSAWJWMMJKP-WMZOPIPTSA-N 1 0 285.435 3.188 20 10 CGCDRO CC[N@H+](Cc1ccc(N)cc1)Cc1ccc(N(C)C)cc1 ZINC001236274038 819411332 /nfs/dbraw/zinc/41/13/32/819411332.db2.gz BOBWZFQDEOURJU-UHFFFAOYSA-N 1 0 283.419 3.357 20 10 CGCDRO [NH3+]CCN(Cc1ccccc1)Cc1ccc(Cl)cc1O ZINC001236521319 819513390 /nfs/dbraw/zinc/51/33/90/819513390.db2.gz LEKRVFQRYWVSFV-UHFFFAOYSA-N 1 0 290.794 3.007 20 10 CGCDRO [O-]c1cc(Cl)ccc1C[N@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001236599048 819548332 /nfs/dbraw/zinc/54/83/32/819548332.db2.gz OSYYUZVDKFQJSO-GFCCVEGCSA-N 1 0 294.826 3.010 20 10 CGCDRO COc1cc(C[N@H+](C)C(C)C)c(O)cc1Br ZINC001236746486 819590151 /nfs/dbraw/zinc/59/01/51/819590151.db2.gz YLJYSTOQZAJUDB-UHFFFAOYSA-N 1 0 288.185 3.004 20 10 CGCDRO CCc1ccc(C[NH+]2CCC3(CCOCC3)CC2)c(O)c1 ZINC001236792303 819595455 /nfs/dbraw/zinc/59/54/55/819595455.db2.gz OFXUMIVXDCNWDO-UHFFFAOYSA-N 1 0 289.419 3.347 20 10 CGCDRO CCc1ccc(C[N@@H+]2CC[C@H](c3cccnc3)C2)c(O)c1 ZINC001236794252 819597037 /nfs/dbraw/zinc/59/70/37/819597037.db2.gz KDHHHQUVIODNSX-INIZCTEOSA-N 1 0 282.387 3.339 20 10 CGCDRO COc1cc(C)c(C[N@H+](C)CC2CCCC2)c(O)c1 ZINC001236810440 819604180 /nfs/dbraw/zinc/60/41/80/819604180.db2.gz GZFGECNDZGVGTA-UHFFFAOYSA-N 1 0 263.381 3.331 20 10 CGCDRO COc1cc(C)c(C[NH+]2CC3(C2)CCCCC3)c(O)c1 ZINC001236822182 819607440 /nfs/dbraw/zinc/60/74/40/819607440.db2.gz YFNOQVOPZWXPCY-UHFFFAOYSA-N 1 0 275.392 3.475 20 10 CGCDRO COc1cc(C)c(C[N@H+](C)Cc2ccccc2O)c(O)c1 ZINC001236820263 819607861 /nfs/dbraw/zinc/60/78/61/819607861.db2.gz ISONJESSJUZEIL-UHFFFAOYSA-N 1 0 287.359 3.047 20 10 CGCDRO Oc1cc2ccccc2cc1C[N@@H+]1CC[C@H]2OCC[C@H]2C1 ZINC001236830437 819611511 /nfs/dbraw/zinc/61/15/11/819611511.db2.gz ALXDCGBSCVIFRY-MAUKXSAKSA-N 1 0 283.371 3.156 20 10 CGCDRO C[NH+](C)C1CCN(Cc2cc3ccccc3cc2O)CC1 ZINC001236831579 819611900 /nfs/dbraw/zinc/61/19/00/819611900.db2.gz ASWKJODPSBEXEV-UHFFFAOYSA-N 1 0 284.403 3.071 20 10 CGCDRO CO[C@@H]1CCC[N@H+](Cc2cc3ccccc3cc2O)C1 ZINC001236834241 819612783 /nfs/dbraw/zinc/61/27/83/819612783.db2.gz UZWGNDXMPSDOGK-MRXNPFEDSA-N 1 0 271.360 3.156 20 10 CGCDRO CCC1(O)CC[NH+](Cc2cc3ccccc3cc2O)CC1 ZINC001236834527 819612819 /nfs/dbraw/zinc/61/28/19/819612819.db2.gz ZWELFXIESPOXRA-UHFFFAOYSA-N 1 0 285.387 3.282 20 10 CGCDRO CSCC[N@H+](C)Cc1cc2ccccc2cc1O ZINC001236837094 819617193 /nfs/dbraw/zinc/61/71/93/819617193.db2.gz NJPGMPQDGBNXCM-UHFFFAOYSA-N 1 0 261.390 3.340 20 10 CGCDRO CN(C)[C@H]1CCC[N@H+](Cc2cc3ccccc3cc2O)C1 ZINC001236842030 819618407 /nfs/dbraw/zinc/61/84/07/819618407.db2.gz SAHWADQKJFANAZ-KRWDZBQOSA-N 1 0 284.403 3.071 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2CCC[C@@H]3CN(C)C[C@H]32)c(O)c1 ZINC001237050016 819652292 /nfs/dbraw/zinc/65/22/92/819652292.db2.gz VSBPOUDSAHHRKW-NVXWUHKLSA-N 1 0 288.435 3.042 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)c(O)c1 ZINC001237056006 819654277 /nfs/dbraw/zinc/65/42/77/819654277.db2.gz UKSUGJHQFQCSMW-WBVHZDCISA-N 1 0 275.392 3.126 20 10 CGCDRO C[C@@H]1CCC[N@H+](Cc2c(O)ccc(F)c2Cl)C1 ZINC001237119037 819671399 /nfs/dbraw/zinc/67/13/99/819671399.db2.gz ADBIHQGPEJNWPD-SECBINFHSA-N 1 0 257.736 3.417 20 10 CGCDRO C[C@H]1CCC[N@@H+]1Cc1c(O)cccc1OC(F)(F)F ZINC001237119670 819671448 /nfs/dbraw/zinc/67/14/48/819671448.db2.gz JSQZYJLXHUTQIG-VIFPVBQESA-N 1 0 275.270 3.275 20 10 CGCDRO Cc1cccc(O)c1C[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC001237483253 819760583 /nfs/dbraw/zinc/76/05/83/819760583.db2.gz PEVZONHXCMKGKK-GOSISDBHSA-N 1 0 296.414 3.189 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC001237490576 819764778 /nfs/dbraw/zinc/76/47/78/819764778.db2.gz WLSURUQRGHIAAJ-OAHLLOKOSA-N 1 0 268.360 3.085 20 10 CGCDRO CCCC1CC[NH+](Cc2cc(OC)cc(OC)c2O)CC1 ZINC001237677294 819803368 /nfs/dbraw/zinc/80/33/68/819803368.db2.gz ZILUGNGLFKUWQR-UHFFFAOYSA-N 1 0 293.407 3.422 20 10 CGCDRO CCCC[N@H+](CCC)Cc1cc(OC)cc(OC)c1O ZINC001237676920 819803483 /nfs/dbraw/zinc/80/34/83/819803483.db2.gz SZAYSIDDJONJOX-UHFFFAOYSA-N 1 0 281.396 3.422 20 10 CGCDRO CCCC[N@H+](CC)Cc1cc(OC)cc(OC)c1O ZINC001237675008 819803690 /nfs/dbraw/zinc/80/36/90/819803690.db2.gz PYNMKFGCSBXUAM-UHFFFAOYSA-N 1 0 267.369 3.031 20 10 CGCDRO COc1cc(C[NH+]2C[C@@H]3CCCC[C@H]3C2)c(O)c(OC)c1 ZINC001237671495 819804762 /nfs/dbraw/zinc/80/47/62/819804762.db2.gz CEXWIMAZDLMWTE-STQMWFEESA-N 1 0 291.391 3.031 20 10 CGCDRO Cc1cc(Cl)cc(CN2CC[NH+](CC(C)C)CC2)c1O ZINC001237680029 819805665 /nfs/dbraw/zinc/80/56/65/819805665.db2.gz OCGMDHHJMMSERS-UHFFFAOYSA-N 1 0 296.842 3.128 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@](C)(O)[C@H](C)C2)c1O ZINC001237681775 819806437 /nfs/dbraw/zinc/80/64/37/819806437.db2.gz RKEQFRRACNUBBP-MLGOLLRUSA-N 1 0 297.826 3.337 20 10 CGCDRO Cc1cc(O)c(C[NH+]2CC3(CCC3)C2)cc1Br ZINC001237681886 819806509 /nfs/dbraw/zinc/80/65/09/819806509.db2.gz TXZNTLQVVZAFMV-UHFFFAOYSA-N 1 0 296.208 3.449 20 10 CGCDRO COC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(Cl)cc(C)c1O ZINC001237688377 819808739 /nfs/dbraw/zinc/80/87/39/819808739.db2.gz IQHVDWGBODVHFF-YIONKMFJSA-N 1 0 295.810 3.496 20 10 CGCDRO [O-]c1c(Cl)cc(F)cc1C[N@@H+]1CC[C@@H]2CCCO[C@H]2C1 ZINC001237799171 819845007 /nfs/dbraw/zinc/84/50/07/819845007.db2.gz DSTZZDDWUBNCAB-HZMBPMFUSA-N 1 0 299.773 3.186 20 10 CGCDRO CO[C@H]1CCC[N@H+](Cc2cc(F)cc(Cl)c2[O-])CC1 ZINC001237798489 819846451 /nfs/dbraw/zinc/84/64/51/819846451.db2.gz GSEJOMNNPGWUED-LBPRGKRZSA-N 1 0 287.762 3.186 20 10 CGCDRO C[N@H+](Cc1ccncc1)Cc1cc(F)c(Cl)cc1[O-] ZINC001237933561 819885178 /nfs/dbraw/zinc/88/51/78/819885178.db2.gz COYQBPRCSKSZDY-UHFFFAOYSA-N 1 0 280.730 3.212 20 10 CGCDRO Cc1cc(F)cc(C[N@@H+]2CCC[C@H](F)CC2)c1O ZINC001238058702 819920289 /nfs/dbraw/zinc/92/02/89/819920289.db2.gz VARBBEMNWMHNDU-LBPRGKRZSA-N 1 0 255.308 3.164 20 10 CGCDRO Cc1cc(F)cc(C[N@@H+](C(C)C)C2CCOCC2)c1O ZINC001238068312 819922078 /nfs/dbraw/zinc/92/20/78/819922078.db2.gz XZEAKIQSHYHDGF-UHFFFAOYSA-N 1 0 281.371 3.229 20 10 CGCDRO Cc1cc(F)cc(C[NH+]2CCC(C(F)F)CC2)c1O ZINC001238065861 819922918 /nfs/dbraw/zinc/92/29/18/819922918.db2.gz CCHAAEAQNOUIKV-UHFFFAOYSA-N 1 0 273.298 3.317 20 10 CGCDRO Cc1cc(F)cc(C[NH+]2CCC(OC3CCC3)CC2)c1O ZINC001238065710 819923265 /nfs/dbraw/zinc/92/32/65/819923265.db2.gz ZIOSJWWKRJWEKG-UHFFFAOYSA-N 1 0 293.382 3.373 20 10 CGCDRO Cc1cnc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)c(C)c1 ZINC001238434555 819996951 /nfs/dbraw/zinc/99/69/51/819996951.db2.gz FDNAHNSKWPKUEG-UHFFFAOYSA-N 1 0 298.386 3.058 20 10 CGCDRO Cc1cc2c(cccc2-c2cnn(C3CC[NH2+]CC3)c2)n1C ZINC001241777951 822141104 /nfs/dbraw/zinc/14/11/04/822141104.db2.gz CMOSUCMBVYVWDZ-UHFFFAOYSA-N 1 0 294.402 3.275 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)c(N(C)C)cc2F)C[C@H](C)O1 ZINC001334904079 936121513 /nfs/dbraw/zinc/12/15/13/936121513.db2.gz YMRCMXRIXOXFRJ-PTEHBNRSSA-N 1 0 298.377 3.076 20 10 CGCDRO C[C@H]([NH2+]CCc1ccc(N(C)C)cc1)c1ccccc1O ZINC001342181367 936461910 /nfs/dbraw/zinc/46/19/10/936461910.db2.gz SJWHOXDHELVSAW-AWEZNQCLSA-N 1 0 284.403 3.352 20 10 CGCDRO Cc1ccccc1[C@H]1C[N@H+](Cc2ccc(N)cc2)CCO1 ZINC001356083663 937152864 /nfs/dbraw/zinc/15/28/64/937152864.db2.gz XCNKYVAWBRNMLM-GOSISDBHSA-N 1 0 282.387 3.151 20 10 CGCDRO CC(C)COCC[C@H](C)[N@H+](C)Cc1ccccc1O ZINC001172485876 928222520 /nfs/dbraw/zinc/22/25/20/928222520.db2.gz ZREDAHXEUDMPNJ-AWEZNQCLSA-N 1 0 265.397 3.275 20 10 CGCDRO COc1cccc(C[NH2+]C[C@H]2CCCC[C@H]2C)c1O ZINC000042857223 928646241 /nfs/dbraw/zinc/64/62/41/928646241.db2.gz KNGAFIKMKCRFRT-CHWSQXEVSA-N 1 0 263.381 3.317 20 10 CGCDRO CC[C@@H]1C[C@H]1C[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC001459347705 937486216 /nfs/dbraw/zinc/48/62/16/937486216.db2.gz HJGHLCBZUFRBKU-CVEARBPZSA-N 1 0 288.435 3.253 20 10 CGCDRO C[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2)CC2(CCCC2)O1 ZINC001460346253 937527964 /nfs/dbraw/zinc/52/79/64/937527964.db2.gz WDBRGYGOJWULKM-HNNXBMFYSA-N 1 0 288.435 3.286 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)C[C@H]2CCOC2)cc1 ZINC001461331772 937576382 /nfs/dbraw/zinc/57/63/82/937576382.db2.gz JCDHJHSMZQRRRC-DOTOQJQBSA-N 1 0 290.451 3.438 20 10 CGCDRO CC1(C)C[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)C(C)(C)O1 ZINC001461387294 937579025 /nfs/dbraw/zinc/57/90/25/937579025.db2.gz JZMILPRIWGVYCW-MRXNPFEDSA-N 1 0 289.419 3.447 20 10 CGCDRO CC[C@]1(C)CCC[N@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC001461875164 937603174 /nfs/dbraw/zinc/60/31/74/937603174.db2.gz ICXJLQHIFWYWBP-QGZVFWFLSA-N 1 0 293.407 3.422 20 10 CGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CCO[C@@H](C)[C@H]2C)c1 ZINC001461959997 937609451 /nfs/dbraw/zinc/60/94/51/937609451.db2.gz LYIJTYDPVMULHW-OLZOCXBDSA-N 1 0 263.381 3.125 20 10 CGCDRO Oc1cc(Cl)ccc1C[NH+]1CC(Cc2ccco2)C1 ZINC001462426158 937640270 /nfs/dbraw/zinc/64/02/70/937640270.db2.gz GDFKQGDAOVHVHF-UHFFFAOYSA-N 1 0 277.751 3.313 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CCCO2)cc1 ZINC001308159643 933061865 /nfs/dbraw/zinc/06/18/65/933061865.db2.gz JKDUQQLVFFGMBA-ROUUACIJSA-N 1 0 288.435 3.286 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+][C@@H](C)[C@H]2CCOC2)c1 ZINC001308721240 933164404 /nfs/dbraw/zinc/16/44/04/933164404.db2.gz RIBWHEFBVODLGL-JSGCOSHPSA-N 1 0 263.381 3.030 20 10 CGCDRO CCC[C@]1(CO)CCC[N@@H+]1Cc1cc(Cl)c(C)cc1O ZINC001308728374 933166161 /nfs/dbraw/zinc/16/61/61/933166161.db2.gz GKAJDFVAJGMXIS-MRXNPFEDSA-N 1 0 297.826 3.481 20 10 CGCDRO CC[C@H](C)[C@H](O)C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC001320411692 934045315 /nfs/dbraw/zinc/04/53/15/934045315.db2.gz RBAHGIWEZUZKNP-QMPIGLIWSA-N 1 0 277.408 3.246 20 10 CGCDRO COCC[N@@H+](Cc1ccc(N2CCCC2)cc1)CC(C)C ZINC001320490859 934054765 /nfs/dbraw/zinc/05/47/65/934054765.db2.gz LUWRDRBRLMSKEQ-UHFFFAOYSA-N 1 0 290.451 3.391 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@@H](C)Cc1cnccn1 ZINC001321022054 934135756 /nfs/dbraw/zinc/13/57/56/934135756.db2.gz AXNOPQRVNIWHKE-VNHYZAJKSA-N 1 0 297.402 3.260 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2N(C)C)c1 ZINC001321022481 934136293 /nfs/dbraw/zinc/13/62/93/934136293.db2.gz GHLCXPBVQQIMBR-IMJJTQAJSA-N 1 0 276.424 3.224 20 10 CGCDRO CC[C@@]1(C)COCC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001321408327 934181839 /nfs/dbraw/zinc/18/18/39/934181839.db2.gz KQMDNRSBOUEZAJ-SFHVURJKSA-N 1 0 288.435 3.288 20 10 CGCDRO CCOc1ccc(C[N@H+](C)CCC(F)(F)F)c(O)c1 ZINC001323303029 934382076 /nfs/dbraw/zinc/38/20/76/934382076.db2.gz JFESGKAYRPDFJM-UHFFFAOYSA-N 1 0 277.286 3.175 20 10 CGCDRO CS[C@H]1CC[C@@H]([N@H+](C)Cc2ccc(N(C)C)cc2)C1 ZINC001323324499 934386787 /nfs/dbraw/zinc/38/67/87/934386787.db2.gz WGGMNZYHOGFINX-CVEARBPZSA-N 1 0 278.465 3.469 20 10 CGCDRO CC[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)[C@@H]1C ZINC001473403259 937805374 /nfs/dbraw/zinc/80/53/74/937805374.db2.gz TUCYKGKLTLRFMB-NVXWUHKLSA-N 1 0 288.435 3.144 20 10 CGCDRO CO[C@@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)C[C@H]1C ZINC001325127497 934887094 /nfs/dbraw/zinc/88/70/94/934887094.db2.gz HSFHFWRGCRRDFX-CRAIPNDOSA-N 1 0 288.435 3.144 20 10 CGCDRO Cc1cc(C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3C)ncn1 ZINC001325355824 934906554 /nfs/dbraw/zinc/90/65/54/934906554.db2.gz GAMWHZCZWQPHOR-FZMZJTMJSA-N 1 0 283.375 3.137 20 10 CGCDRO CC[C@@H](C)C[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC001473609619 937813389 /nfs/dbraw/zinc/81/33/89/937813389.db2.gz FNUGJUAEIRUVGS-CQSZACIVSA-N 1 0 264.413 3.109 20 10 CGCDRO C[NH2+][C@H](C)CC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC001326034895 934944619 /nfs/dbraw/zinc/94/46/19/934944619.db2.gz BEAWKYQKCBLNRN-NXEZZACHSA-N 1 0 290.329 3.060 20 10 CGCDRO CO[C@]1(C)CCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001326831627 935011154 /nfs/dbraw/zinc/01/11/54/935011154.db2.gz IINPLPZPZMFWQZ-GOSISDBHSA-N 1 0 288.435 3.288 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC001329588984 935231268 /nfs/dbraw/zinc/23/12/68/935231268.db2.gz UCNUGWVBMGHGCU-DHMWGJHJSA-N 1 0 287.403 3.142 20 10 CGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC001333162479 935514945 /nfs/dbraw/zinc/51/49/45/935514945.db2.gz CFPDFYKLONZMTD-UTDUODGLSA-N 1 0 287.403 3.406 20 10 CGCDRO CC[C@@](C)([NH2+]Cc1ccc(N)cc1)c1nc(C)cs1 ZINC001334754533 936111796 /nfs/dbraw/zinc/11/17/96/936111796.db2.gz OQZFPQUFNUTTLP-OAHLLOKOSA-N 1 0 275.421 3.449 20 10 CGCDRO CCC[C@H](O)CC[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC001335296757 936137496 /nfs/dbraw/zinc/13/74/96/936137496.db2.gz MQJJZFLEILLAPT-HZSPNIEDSA-N 1 0 277.408 3.390 20 10 CGCDRO Nc1ccc(C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)cc1 ZINC001336285075 936186334 /nfs/dbraw/zinc/18/63/34/936186334.db2.gz HMOWIDCRBIJWGO-SFHVURJKSA-N 1 0 281.403 3.345 20 10 CGCDRO CC(C)[C@H](CO)[N@H+](Cc1ccccc1)Cc1ccc(N)cc1 ZINC001336286184 936186338 /nfs/dbraw/zinc/18/63/38/936186338.db2.gz ODVQGJWUIYHDSU-IBGZPJMESA-N 1 0 298.430 3.288 20 10 CGCDRO CCOc1ccc(C[NH2+]Cc2ccc(N(C)C)cc2C)o1 ZINC001336723233 936210181 /nfs/dbraw/zinc/21/01/81/936210181.db2.gz VNOIEBUYGHDXAS-UHFFFAOYSA-N 1 0 288.391 3.343 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2nc(C)sc2C)c1 ZINC001337211027 936243520 /nfs/dbraw/zinc/24/35/20/936243520.db2.gz HHPNBHZBYZWPNY-VIFPVBQESA-N 1 0 292.404 3.325 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]CC[C@@H]1CCCC[C@@H]1O ZINC001474283902 937848221 /nfs/dbraw/zinc/84/82/21/937848221.db2.gz FUEZJFXWEHAEIL-FZMZJTMJSA-N 1 0 283.799 3.076 20 10 CGCDRO CC(C)c1ccc(O)c(C[N@H+]2CCC[C@H]2C[C@H](C)O)c1 ZINC001474369774 937855268 /nfs/dbraw/zinc/85/52/68/937855268.db2.gz MFFDFHZYCLJAJL-BBRMVZONSA-N 1 0 277.408 3.251 20 10 CGCDRO C[C@H]1CC[N@H+](Cc2ccc(Cl)cc2O)CCS1 ZINC001474443569 937860181 /nfs/dbraw/zinc/86/01/81/937860181.db2.gz XVWOEKWCLMAITI-JTQLQIEISA-N 1 0 271.813 3.373 20 10 CGCDRO CO[C@H](C[NH2+]Cc1cc(C(C)C)ccc1O)C1CC1 ZINC001474544046 937865669 /nfs/dbraw/zinc/86/56/69/937865669.db2.gz CEESDXOLDXPWDW-MRXNPFEDSA-N 1 0 263.381 3.030 20 10 CGCDRO COCC[N@@H+](Cc1ccc(Cl)cc1O)CC(C)C ZINC001560642343 938267575 /nfs/dbraw/zinc/26/75/75/938267575.db2.gz SVJRHTYAIJCAHR-UHFFFAOYSA-N 1 0 271.788 3.150 20 10 CGCDRO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1c(C)cc(OC)cc1O ZINC001560687754 938270000 /nfs/dbraw/zinc/27/00/00/938270000.db2.gz OOCSXNCJWZIZLH-WCQYABFASA-N 1 0 263.381 3.330 20 10 CGCDRO CC(C)(C)[C@H]1CC[N@H+](Cc2ccc(Cl)cc2O)C[C@@H]1O ZINC001560720161 938271849 /nfs/dbraw/zinc/27/18/49/938271849.db2.gz LLXHEMNKFJLHHC-ZFWWWQNUSA-N 1 0 297.826 3.275 20 10 CGCDRO CCCC[N@H+](CCCO)Cc1c(O)cc(C)cc1Cl ZINC001560811370 938277104 /nfs/dbraw/zinc/27/71/04/938277104.db2.gz ICYMEUYNBDUILK-UHFFFAOYSA-N 1 0 285.815 3.339 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CCC[C@H](CCF)C2)c(O)c1 ZINC001560931722 938284790 /nfs/dbraw/zinc/28/47/90/938284790.db2.gz OXDWNAPBPDJLDW-CYBMUJFWSA-N 1 0 281.371 3.281 20 10 CGCDRO COc1ccc(C[NH2+]C2(C)C(C)(C)C2(C)C)c(O)c1OC ZINC001561037095 938291025 /nfs/dbraw/zinc/29/10/25/938291025.db2.gz WJCNUMOMAUIEGZ-UHFFFAOYSA-N 1 0 293.407 3.324 20 10 CGCDRO Cc1noc(C)c1C[C@@H](C)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297883405 282388415 /nfs/dbraw/zinc/38/84/15/282388415.db2.gz VDRXPRXRFKVRIE-BMIGLBTASA-N 1 0 286.375 3.205 20 10 CGCDRO C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccc(F)cc1[O-] ZINC000062747762 299271715 /nfs/dbraw/zinc/27/17/15/299271715.db2.gz UDVBSBQRAORFFB-LBPRGKRZSA-N 1 0 294.414 3.445 20 10 CGCDRO O[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000051993785 369460022 /nfs/dbraw/zinc/46/00/22/369460022.db2.gz DJADDBOZFPTXRL-QZTJIDSGSA-N 1 0 288.435 3.070 20 10 CGCDRO COc1cccc(C[N@@H+]2CCC[C@H]2c2cccc(C)n2)c1O ZINC000093453487 370134033 /nfs/dbraw/zinc/13/40/33/370134033.db2.gz GXOTZTHTCDPVEW-INIZCTEOSA-N 1 0 298.386 3.441 20 10 CGCDRO CC[C@](C)([NH2+]Cc1cccc(OC)c1O)c1nccs1 ZINC000152617965 371709557 /nfs/dbraw/zinc/70/95/57/371709557.db2.gz CFNWSWUVABKFBV-HNNXBMFYSA-N 1 0 292.404 3.272 20 10 CGCDRO COc1ccc(C[NH2+]CC[C@@H](O)c2ccccc2)cc1C ZINC000289432388 371756329 /nfs/dbraw/zinc/75/63/29/371756329.db2.gz KWVANJFSVCEONF-QGZVFWFLSA-N 1 0 285.387 3.217 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCOC(C)(C)C2)c1 ZINC000159930048 372194412 /nfs/dbraw/zinc/19/44/12/372194412.db2.gz VEUSKLDDCOCBPD-NWDGAFQWSA-N 1 0 279.380 3.009 20 10 CGCDRO CC[C@@H]([NH2+]Cc1snnc1C)c1ccc(C)cc1O ZINC000293805709 372488409 /nfs/dbraw/zinc/48/84/09/372488409.db2.gz VHWMUAVDRDYZBH-GFCCVEGCSA-N 1 0 277.393 3.101 20 10 CGCDRO Oc1cccc(Cl)c1CN1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000293842503 372498894 /nfs/dbraw/zinc/49/88/94/372498894.db2.gz BCUGFOAVVSTGFN-JKSUJKDBSA-N 1 0 293.794 3.189 20 10 CGCDRO C[C@@H]([NH2+]CC1CC(F)(F)C1)c1cc(F)ccc1O ZINC000293893169 372514278 /nfs/dbraw/zinc/51/42/78/372514278.db2.gz ZFLBJDNJGWBPIY-MRVPVSSYSA-N 1 0 259.271 3.227 20 10 CGCDRO Cc1cc(C)n(CCC[NH2+][C@H](C)c2ccc(C)cc2O)n1 ZINC000168735822 372616887 /nfs/dbraw/zinc/61/68/87/372616887.db2.gz WFNCDZCYYQAGPV-OAHLLOKOSA-N 1 0 287.407 3.255 20 10 CGCDRO CC[C@H](C)[C@@H](C[NH2+][C@H](C)c1cc(F)ccc1O)OC ZINC000294225649 372619303 /nfs/dbraw/zinc/61/93/03/372619303.db2.gz NXCRWKUGESVMIS-FIXISWKDSA-N 1 0 269.360 3.243 20 10 CGCDRO CC[C@H](C)[C@H](C[NH2+][C@@H](C)c1cc(F)ccc1O)OC ZINC000294225653 372619415 /nfs/dbraw/zinc/61/94/15/372619415.db2.gz NXCRWKUGESVMIS-PGUXBMHVSA-N 1 0 269.360 3.243 20 10 CGCDRO CCn1cc([C@H](C)[NH2+][C@@H](C)c2ccccc2O)cn1 ZINC000295979189 372981417 /nfs/dbraw/zinc/98/14/17/372981417.db2.gz OQDCOHLSLLMLJF-RYUDHWBXSA-N 1 0 259.353 3.020 20 10 CGCDRO CC(=O)Nc1ccc(C[NH2+][C@H]2CCc3cccc(O)c32)cc1 ZINC000296161231 373039708 /nfs/dbraw/zinc/03/97/08/373039708.db2.gz XGOWKACFCXDJDR-INIZCTEOSA-N 1 0 296.370 3.128 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]CCc1cccs1)CC2 ZINC000296146990 373036789 /nfs/dbraw/zinc/03/67/89/373036789.db2.gz WMCNZARKNRLYQU-ZDUSSCGKSA-N 1 0 259.374 3.273 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H](C)CCCO)cc1 ZINC000296297523 373083307 /nfs/dbraw/zinc/08/33/07/373083307.db2.gz FSQVGSTXHBUPJQ-LSDHHAIUSA-N 1 0 278.440 3.202 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)CC(C)(C)O)c1ccc(C)cc1O ZINC000296345082 373097838 /nfs/dbraw/zinc/09/78/38/373097838.db2.gz HZTBPNNHNRJQMZ-JSGCOSHPSA-N 1 0 265.397 3.291 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H](C)CC(C)(C)O)cc1 ZINC000296265220 373072653 /nfs/dbraw/zinc/07/26/53/373072653.db2.gz DKIMOEDZPZPRTQ-ZIAGYGMSSA-N 1 0 278.440 3.343 20 10 CGCDRO Cc1cccc2nc(C[NH2+][C@@H]3CCc4cccc(O)c43)cn21 ZINC000297722227 373278620 /nfs/dbraw/zinc/27/86/20/373278620.db2.gz NFBKKOGAHZFYDC-OAHLLOKOSA-N 1 0 293.370 3.125 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]Cc1cc(F)cnc1Cl)CC2 ZINC000297232688 373261939 /nfs/dbraw/zinc/26/19/39/373261939.db2.gz HZEOHOZWYQFKEV-GFCCVEGCSA-N 1 0 292.741 3.357 20 10 CGCDRO C[C@@H]([NH2+]CC[C@H](C)CCO)c1cc(Cl)ccc1O ZINC000297338802 373265516 /nfs/dbraw/zinc/26/55/16/373265516.db2.gz OINWYPUSZQNBSI-WDEREUQCSA-N 1 0 271.788 3.105 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCO[C@]2(CCSC2)C1)c1ccccc1O ZINC000183622129 374434002 /nfs/dbraw/zinc/43/40/02/374434002.db2.gz FUSPAUQZVVUQBV-HEHGZKQESA-N 1 0 293.432 3.098 20 10 CGCDRO C[C@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1ccc2ccccc2c1O ZINC000185830510 374746114 /nfs/dbraw/zinc/74/61/14/374746114.db2.gz FGMBSYBHSUMWHI-KCQAQPDRSA-N 1 0 283.371 3.133 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](C)c2nccs2)c1 ZINC000186732442 374907942 /nfs/dbraw/zinc/90/79/42/374907942.db2.gz AAQOOEYZVJXRLL-MNOVXSKESA-N 1 0 292.404 3.312 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@H](c2ccccn2)C2CCC2)c1 ZINC000529643985 375931616 /nfs/dbraw/zinc/93/16/16/375931616.db2.gz NAEFFKDEJGZDPL-SFHVURJKSA-N 1 0 298.386 3.427 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+]CC2CC=CC2)c1O ZINC000529642304 375931638 /nfs/dbraw/zinc/93/16/38/375931638.db2.gz UFDPMNMOCJETRR-UHFFFAOYSA-N 1 0 251.757 3.410 20 10 CGCDRO CC[C@](C)(CCO)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000230222332 376495694 /nfs/dbraw/zinc/49/56/94/376495694.db2.gz ZVKXBQBUBALCAF-CYBMUJFWSA-N 1 0 292.206 3.340 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]CCCNc1ccccn1 ZINC000267580835 378042137 /nfs/dbraw/zinc/04/21/37/378042137.db2.gz GFDOULFCOIHSIX-UHFFFAOYSA-N 1 0 291.782 3.032 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]CC2(CC)CCOCC2)c1 ZINC000266648158 378024635 /nfs/dbraw/zinc/02/46/35/378024635.db2.gz XBZNMAXAYJFQSE-UHFFFAOYSA-N 1 0 293.407 3.087 20 10 CGCDRO Cc1ccc([C@@H](O)C[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000268808154 378117141 /nfs/dbraw/zinc/11/71/41/378117141.db2.gz SNOSSHMMRHVQBM-BEFAXECRSA-N 1 0 298.430 3.445 20 10 CGCDRO OC[C@@H]1CCC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000269375707 378213457 /nfs/dbraw/zinc/21/34/57/378213457.db2.gz VPPBZDPCTNOCJC-OAHLLOKOSA-N 1 0 297.398 3.264 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1CCSC1)c1ccc(N(C)C)cc1 ZINC000271496280 378494952 /nfs/dbraw/zinc/49/49/52/378494952.db2.gz MJONISDUOFKPEL-UKRRQHHQSA-N 1 0 264.438 3.299 20 10 CGCDRO Cc1ncsc1CC[NH2+][C@H](C)c1ccccc1O ZINC000271611651 378498914 /nfs/dbraw/zinc/49/89/14/378498914.db2.gz BCBFAQWELANKHR-SNVBAGLBSA-N 1 0 262.378 3.050 20 10 CGCDRO [O-]c1c(Cl)cccc1C[N@@H+]1CCCC2(CCOCC2)C1 ZINC000271747925 378503094 /nfs/dbraw/zinc/50/30/94/378503094.db2.gz BFYOFEDHHHVBOL-UHFFFAOYSA-N 1 0 295.810 3.438 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H]2CCO[C@@H](CC(C)C)C2)c1O ZINC000272173816 378577293 /nfs/dbraw/zinc/57/72/93/378577293.db2.gz XHCFCPASGCDPQE-CVEARBPZSA-N 1 0 277.408 3.384 20 10 CGCDRO COCC[C@@H]([NH2+]Cc1cc(C)ccc1O)c1ccc(C)o1 ZINC000272213012 378586609 /nfs/dbraw/zinc/58/66/09/378586609.db2.gz CSHSIAQHBOBKMT-OAHLLOKOSA-N 1 0 289.375 3.469 20 10 CGCDRO CC(C)(C)[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2O)CCO1 ZINC000272516043 378655021 /nfs/dbraw/zinc/65/50/21/378655021.db2.gz XQFUKNRYEBBIQD-DZGCQCFKSA-N 1 0 281.371 3.215 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(N(C)C)nc2)c(O)c1 ZINC000273414712 378746205 /nfs/dbraw/zinc/74/62/05/378746205.db2.gz QMFAELQJZKPXCM-ZDUSSCGKSA-N 1 0 285.391 3.012 20 10 CGCDRO CCc1nnc([C@@H](C)[NH2+][C@H](C)c2ccc(C)c(C)c2O)[nH]1 ZINC000273505243 378750350 /nfs/dbraw/zinc/75/03/50/378750350.db2.gz QXLRCLZIJXVCTG-VXGBXAGGSA-N 1 0 288.395 3.101 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCC[C@H](C)CO)c(O)c1C ZINC000273481215 378750456 /nfs/dbraw/zinc/75/04/56/378750456.db2.gz MDHUVHJYWIUNPJ-FZMZJTMJSA-N 1 0 265.397 3.068 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCOCC2(CCC2)C1 ZINC000371881540 379181297 /nfs/dbraw/zinc/18/12/97/379181297.db2.gz JENPPFTVUWDOSV-UHFFFAOYSA-N 1 0 281.783 3.048 20 10 CGCDRO C[C@H]1COCC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000372231376 379193088 /nfs/dbraw/zinc/19/30/88/379193088.db2.gz MDARAYYCKLGOLC-CYBMUJFWSA-N 1 0 271.360 3.014 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(F)cc1[O-] ZINC000375887848 379514187 /nfs/dbraw/zinc/51/41/87/379514187.db2.gz JUWAFARBXKMDFD-YCPHGPKFSA-N 1 0 292.398 3.199 20 10 CGCDRO c1cc(N2CCCCC2)ccc1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000376495738 379566774 /nfs/dbraw/zinc/56/67/74/379566774.db2.gz QORDKQITKAQSEY-HDICACEKSA-N 1 0 286.419 3.040 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CSC2(C)C)c(O)c1 ZINC000283388686 380060316 /nfs/dbraw/zinc/06/03/16/380060316.db2.gz PJBGLZCHSIFSLD-GXFFZTMASA-N 1 0 251.395 3.245 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1cc(Cl)ccc1O ZINC000363866766 382258536 /nfs/dbraw/zinc/25/85/36/382258536.db2.gz PGGUNZRGEGBLEW-RNCFNFMXSA-N 1 0 291.782 3.497 20 10 CGCDRO COc1cccc(C[NH+]2CCC(C3CC3)CC2)c1O ZINC000368637833 382379571 /nfs/dbraw/zinc/37/95/71/382379571.db2.gz LOXMNSLNIFUINW-UHFFFAOYSA-N 1 0 261.365 3.023 20 10 CGCDRO C[N@@H+](Cc1c(O)ccc2ccccc21)C[C@H]1CCCOC1 ZINC000107669870 392327746 /nfs/dbraw/zinc/32/77/46/392327746.db2.gz AMNQEMUGTZHYDD-CQSZACIVSA-N 1 0 285.387 3.404 20 10 CGCDRO Cc1cnn(CCCCC[N@@H+](C)Cc2ccccc2O)c1 ZINC000111234982 392380319 /nfs/dbraw/zinc/38/03/19/392380319.db2.gz JDNXSGUSHVMNAH-UHFFFAOYSA-N 1 0 287.407 3.199 20 10 CGCDRO CCCC(O)(CCC)C[NH2+]Cc1cccc(OCC)c1O ZINC000119718147 392396728 /nfs/dbraw/zinc/39/67/28/392396728.db2.gz SYGHEJIAJWVFIM-UHFFFAOYSA-N 1 0 295.423 3.212 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1cncc(F)c1 ZINC000122467057 392423385 /nfs/dbraw/zinc/42/33/85/392423385.db2.gz YIMFIHFLAWDSQS-NSHDSACASA-N 1 0 291.345 3.277 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2O)c2ccccc2O1 ZINC000295129718 392543826 /nfs/dbraw/zinc/54/38/26/392543826.db2.gz XWWRCMHYHXUTHW-IUODEOHRSA-N 1 0 269.344 3.394 20 10 CGCDRO CCOc1cccc(C[NH2+][C@H](C)CC(C)(C)OC)c1O ZINC000174556393 392643236 /nfs/dbraw/zinc/64/32/36/392643236.db2.gz GDRYAIYHYDYCPW-GFCCVEGCSA-N 1 0 281.396 3.084 20 10 CGCDRO CO[C@@H](C)C[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000191207162 392824552 /nfs/dbraw/zinc/82/45/52/392824552.db2.gz QZNBFAXOAGVMCW-NWDGAFQWSA-N 1 0 259.349 3.231 20 10 CGCDRO CCCN(Cc1cnc(C)s1)c1ccc(C[NH3+])cc1 ZINC000194979572 392948762 /nfs/dbraw/zinc/94/87/62/392948762.db2.gz KTZHAILXUCTCLP-UHFFFAOYSA-N 1 0 275.421 3.327 20 10 CGCDRO CCCN(c1ccc(C[NH3+])cc1)C1CCSCC1 ZINC000194980669 392949273 /nfs/dbraw/zinc/94/92/73/392949273.db2.gz GQOXSUACVINXDL-UHFFFAOYSA-N 1 0 264.438 3.257 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCCc3nn(C)cc32)c1 ZINC000282571081 292166241 /nfs/dbraw/zinc/16/62/41/292166241.db2.gz YWUKXAPVSYVQAB-DOMZBBRYSA-N 1 0 285.391 3.162 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](C)c2ccccc2O)cc1OC ZINC000020122809 171003549 /nfs/dbraw/zinc/00/35/49/171003549.db2.gz ABBKEYSOPRTRRS-LBPRGKRZSA-N 1 0 287.359 3.260 20 10 CGCDRO COCCC[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000020142341 171028633 /nfs/dbraw/zinc/02/86/33/171028633.db2.gz DGZIBMXELKFYEY-LBPRGKRZSA-N 1 0 259.349 3.233 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]Cc1cccc(F)c1 ZINC000020473386 171217458 /nfs/dbraw/zinc/21/74/58/171217458.db2.gz LQMJRWQBVNJMLA-UHFFFAOYSA-N 1 0 265.715 3.475 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCN(C(C)C)C(C)C)c1 ZINC000035628505 172307246 /nfs/dbraw/zinc/30/72/46/172307246.db2.gz XDZRXUQFBOAGIJ-OAHLLOKOSA-N 1 0 278.440 3.470 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccccc1 ZINC000037362311 173151356 /nfs/dbraw/zinc/15/13/56/173151356.db2.gz JHKSSCWTPXVONB-ZDUSSCGKSA-N 1 0 253.345 3.472 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H](O)c1cccc(C)c1)c1ccccc1O ZINC000156760453 261131781 /nfs/dbraw/zinc/13/17/81/261131781.db2.gz RBAXEUAYPUQNQN-AEFFLSMTSA-N 1 0 285.387 3.475 20 10 CGCDRO Cc1ccccc1[C@@H](O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000163201545 261308923 /nfs/dbraw/zinc/30/89/23/261308923.db2.gz HHTVBEBMIUYXCG-KXBFYZLASA-N 1 0 298.430 3.445 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](C)c2cnn(C)c2)cc1 ZINC000163856555 261331935 /nfs/dbraw/zinc/33/19/35/261331935.db2.gz MCOKWBHJUFNGKZ-KBPBESRZSA-N 1 0 286.423 3.288 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCC[C@H]2CCCCO2)c1 ZINC000183988031 262004044 /nfs/dbraw/zinc/00/40/44/262004044.db2.gz AKKHDADFHGYJAI-UONOGXRCSA-N 1 0 293.407 3.401 20 10 CGCDRO Cc1cncc([C@@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)c1 ZINC000184329230 262016705 /nfs/dbraw/zinc/01/67/05/262016705.db2.gz MVYUVKIZOPXZHO-CYBMUJFWSA-N 1 0 287.382 3.446 20 10 CGCDRO C[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1cc(F)ccc1O ZINC000184945308 262034889 /nfs/dbraw/zinc/03/48/89/262034889.db2.gz IHBIGCVJXOIEQL-HWPZZCPQSA-N 1 0 293.313 3.055 20 10 CGCDRO COc1ncccc1C[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000184985215 262035983 /nfs/dbraw/zinc/03/59/83/262035983.db2.gz BIKXQEFRVCSKDC-JTQLQIEISA-N 1 0 292.766 3.300 20 10 CGCDRO C[C@H]([NH2+]C1CCOCC1)c1cc2c(cc1O)CCCC2 ZINC000185078854 262040392 /nfs/dbraw/zinc/04/03/92/262040392.db2.gz YENFMJFITDGBAB-LBPRGKRZSA-N 1 0 275.392 3.101 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)c2ccccc2C)c(O)c1 ZINC000185435527 262053801 /nfs/dbraw/zinc/05/38/01/262053801.db2.gz QPPXZKPMSHRCNQ-KSSFIOAISA-N 1 0 285.387 3.393 20 10 CGCDRO CC[C@@H](C)[C@H](O)C[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000185438392 262054677 /nfs/dbraw/zinc/05/46/77/262054677.db2.gz SMLIOXVBRINAKD-ISTVAULSSA-N 1 0 271.788 3.103 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@](C)(O)c2ccccc2)c1 ZINC000185453976 262055014 /nfs/dbraw/zinc/05/50/14/262055014.db2.gz IWSQXPQSUHYEHP-RDTXWAMCSA-N 1 0 285.387 3.259 20 10 CGCDRO C[C@H]([NH2+]C[C@H](O)c1ccsc1)c1cc(Cl)ccc1O ZINC000185512738 262058164 /nfs/dbraw/zinc/05/81/64/262058164.db2.gz IDMIATRUMMIRGS-XPTSAGLGSA-N 1 0 297.807 3.491 20 10 CGCDRO C[C@H]([NH2+]C[C@](C)(O)c1ccsc1)c1cc(F)ccc1O ZINC000185529755 262058742 /nfs/dbraw/zinc/05/87/42/262058742.db2.gz QWRXMQDSOIWDAQ-BONVTDFDSA-N 1 0 295.379 3.151 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](CCO)CC(C)C)c1 ZINC000185614729 262062421 /nfs/dbraw/zinc/06/24/21/262062421.db2.gz IWMIAXAOQCMQRN-LSDHHAIUSA-N 1 0 279.424 3.396 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(CO)c(F)c1)c1ccccc1O ZINC000186127912 262080844 /nfs/dbraw/zinc/08/08/44/262080844.db2.gz ZFQQXGOTZWPUEP-INIZCTEOSA-N 1 0 289.350 3.265 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)[C@H](O)C(C)C)c(O)c1 ZINC000186174781 262082710 /nfs/dbraw/zinc/08/27/10/262082710.db2.gz FLXMHILLUZNYNV-CZUORRHYSA-N 1 0 279.424 3.394 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CC(C)(C)C[C@H](C)O)c(O)c1 ZINC000186075583 262311821 /nfs/dbraw/zinc/31/18/21/262311821.db2.gz WAZYQPSXIDJIJM-STQMWFEESA-N 1 0 265.397 3.148 20 10 CGCDRO CCCC[N@H+](Cc1ccnc(N)c1)Cc1ccccc1O ZINC000282474269 263076917 /nfs/dbraw/zinc/07/69/17/263076917.db2.gz OBKHRCIZWLBFFI-UHFFFAOYSA-N 1 0 285.391 3.172 20 10 CGCDRO CCOC(C)(C)C[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000285048225 263089602 /nfs/dbraw/zinc/08/96/02/263089602.db2.gz IIBMVOIPONUSBS-CYBMUJFWSA-N 1 0 265.397 3.475 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CCC=C(c3ccncc3)C2)c1 ZINC000289725982 263111556 /nfs/dbraw/zinc/11/15/56/263111556.db2.gz POGZGHSJKSRQJA-UHFFFAOYSA-N 1 0 296.370 3.085 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H](C)CN(C)C(C)C)c(O)c1 ZINC000290126520 264754974 /nfs/dbraw/zinc/75/49/74/264754974.db2.gz JRMKCHPPAMNCTL-KGLIPLIRSA-N 1 0 264.413 3.080 20 10 CGCDRO OCCCC[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000294055092 265003068 /nfs/dbraw/zinc/00/30/68/265003068.db2.gz GUFUIBUFKYWCAA-GOSISDBHSA-N 1 0 299.414 3.428 20 10 CGCDRO CC[C@@H](CO)[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000294372373 265013749 /nfs/dbraw/zinc/01/37/49/265013749.db2.gz RACDKDRFEUBGQK-WMZOPIPTSA-N 1 0 299.414 3.427 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1COc2cc(F)cc(F)c21)c1ccccc1O ZINC000368212318 267153090 /nfs/dbraw/zinc/15/30/90/267153090.db2.gz MPNXHFGSNOEYDK-NOZJJQNGSA-N 1 0 291.297 3.455 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](OCC3CC3)C2)c1 ZINC000368739005 267201022 /nfs/dbraw/zinc/20/10/22/267201022.db2.gz FPAIVUOXVJYDBO-MRXNPFEDSA-N 1 0 275.392 3.092 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H]2CCc3cnn(C(C)C)c3C2)c1O ZINC000372811204 267607017 /nfs/dbraw/zinc/60/70/17/267607017.db2.gz BWPMWZMULWLSCN-MRXNPFEDSA-N 1 0 299.418 3.125 20 10 CGCDRO CC(C)[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000376163779 267946205 /nfs/dbraw/zinc/94/62/05/267946205.db2.gz CSIVWYAJKLSPPH-UHFFFAOYSA-N 1 0 284.350 3.255 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCc3cccc(O)c32)cc1 ZINC000296135498 276883765 /nfs/dbraw/zinc/88/37/65/276883765.db2.gz VYRWDZXGPPHYIO-MRXNPFEDSA-N 1 0 282.387 3.235 20 10 CGCDRO CO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000273618346 277644182 /nfs/dbraw/zinc/64/41/82/277644182.db2.gz YFWJGOFFYIJRGX-JGGQBBKZSA-N 1 0 263.381 3.309 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](C)C[NH+](C)C)c1cccc(Cl)c1[O-] ZINC000293630305 288042992 /nfs/dbraw/zinc/04/29/92/288042992.db2.gz KERSTGWBAOIVBC-RISCZKNCSA-N 1 0 284.831 3.284 20 10 CGCDRO CCO[C@H](CC[NH2+][C@H]1CCc2cccc(O)c21)C(C)C ZINC000297897785 279900474 /nfs/dbraw/zinc/90/04/74/279900474.db2.gz VWXNCKWBDFNINV-GOEBONIOSA-N 1 0 277.408 3.420 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](C)c2nccs2)c1 ZINC000186732457 327917885 /nfs/dbraw/zinc/91/78/85/327917885.db2.gz AAQOOEYZVJXRLL-WDEREUQCSA-N 1 0 292.404 3.312 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)C1CCOCC1)c1ccc(N(C)C)cc1 ZINC000126137070 327147728 /nfs/dbraw/zinc/14/77/28/327147728.db2.gz UTWNTCOGWZONBY-KGLIPLIRSA-N 1 0 276.424 3.218 20 10 CGCDRO Cc1ccc(O)c(C[NH+]2CCC(OCC(C)C)CC2)c1 ZINC000092223337 327190331 /nfs/dbraw/zinc/19/03/31/327190331.db2.gz JKOSZMPYWBVRLU-UHFFFAOYSA-N 1 0 277.408 3.338 20 10 CGCDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1cc(Cl)ccc1O ZINC000377703261 329025989 /nfs/dbraw/zinc/02/59/89/329025989.db2.gz WJCUBNJBVBFIKP-DOMZBBRYSA-N 1 0 294.826 3.104 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](c3ccco3)C2)c1 ZINC000378345095 329046800 /nfs/dbraw/zinc/04/68/00/329046800.db2.gz HBGHQMGNDRLDBP-CYBMUJFWSA-N 1 0 287.359 3.373 20 10 CGCDRO C[C@H]([NH2+][C@H]1CN(C)Cc2ccccc21)c1ccccc1O ZINC000360000148 329069477 /nfs/dbraw/zinc/06/94/77/329069477.db2.gz QPOGQESGMWWKLL-GUYCJALGSA-N 1 0 282.387 3.230 20 10 CGCDRO COc1ccc(N2CCCN(c3cc[nH+]cc3C)CC2)cc1 ZINC000192517039 329434089 /nfs/dbraw/zinc/43/40/89/329434089.db2.gz HJRRKABFZSLFQY-UHFFFAOYSA-N 1 0 297.402 3.115 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)c(O)c1 ZINC000248736651 329898289 /nfs/dbraw/zinc/89/82/89/329898289.db2.gz PWAIVPGLGOSMQN-LBRJOISOSA-N 1 0 287.403 3.309 20 10 CGCDRO C[C@H]([NH2+]CC12CC(C1)CO2)c1cc2c(cc1O)CCCC2 ZINC000527983169 330298481 /nfs/dbraw/zinc/29/84/81/330298481.db2.gz UHDLERWLRYQOGI-ZVLZOBCMSA-N 1 0 287.403 3.101 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2ncccc2F)c1 ZINC000528036013 330302789 /nfs/dbraw/zinc/30/27/89/330302789.db2.gz NEZLKHYWMHBWGA-MNOVXSKESA-N 1 0 290.338 3.347 20 10 CGCDRO CC[C@@H]([NH2+]CC1COC1)c1ccc(C(F)(F)F)cc1O ZINC000528024925 330304916 /nfs/dbraw/zinc/30/49/16/330304916.db2.gz FDRDGLBOGRBNPO-GFCCVEGCSA-N 1 0 289.297 3.098 20 10 CGCDRO CCOc1ccccc1C[NH2+]Cc1ccccc1O ZINC000134227120 334084879 /nfs/dbraw/zinc/08/48/79/334084879.db2.gz NCTCVSYWIGUFHB-UHFFFAOYSA-N 1 0 257.333 3.081 20 10 CGCDRO COc1cccc(C[NH2+]C[C@H]2CCCCC2(F)F)c1O ZINC000295121709 334902333 /nfs/dbraw/zinc/90/23/33/334902333.db2.gz NIPJYSIMUFYPBJ-GFCCVEGCSA-N 1 0 285.334 3.316 20 10 CGCDRO CCOC[C@H]1CCC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000292986686 520171468 /nfs/dbraw/zinc/17/14/68/520171468.db2.gz FSJQPNNOKNRKPD-KRWDZBQOSA-N 1 0 290.451 3.310 20 10 CGCDRO CC[N@H+](Cc1cc(F)ccc1O)[C@@H]1CCOC(C)(C)C1 ZINC000291441168 521292241 /nfs/dbraw/zinc/29/22/41/521292241.db2.gz BWCYRUVHIQDYDV-CQSZACIVSA-N 1 0 281.371 3.311 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)c1O ZINC000127478931 521336763 /nfs/dbraw/zinc/33/67/63/521336763.db2.gz XSIHMBRPTNCSAC-OAHLLOKOSA-N 1 0 286.375 3.456 20 10 CGCDRO CCOc1cccc(C[NH2+]CCCC(F)(F)F)c1O ZINC000097988954 521362281 /nfs/dbraw/zinc/36/22/81/521362281.db2.gz NQXXXFOLYMJDSA-UHFFFAOYSA-N 1 0 277.286 3.223 20 10 CGCDRO CCCN(CC)C[C@@H](C)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000290074122 521611142 /nfs/dbraw/zinc/61/11/42/521611142.db2.gz GHJJWDROARBHPO-KGLIPLIRSA-N 1 0 294.439 3.172 20 10 CGCDRO CO[C@]1(C)CCC[N@H+](Cc2c(O)cccc2Cl)CC1 ZINC000280302409 521751380 /nfs/dbraw/zinc/75/13/80/521751380.db2.gz PAMGPIHGNIGLGY-OAHLLOKOSA-N 1 0 283.799 3.437 20 10 CGCDRO COCC[C@H]([NH2+][C@H]1CCc2cccc(O)c21)c1ccco1 ZINC000296427153 521980123 /nfs/dbraw/zinc/98/01/23/521980123.db2.gz LTTWCQHFGYLQCP-KBPBESRZSA-N 1 0 287.359 3.340 20 10 CGCDRO CC[C@H](CO)[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000268715031 522226478 /nfs/dbraw/zinc/22/64/78/522226478.db2.gz MDUCYJHNMIGOCW-GDBMZVCRSA-N 1 0 276.424 3.098 20 10 CGCDRO CC[C@H]([NH2+]C[C@H](C)C[C@@H](C)O)c1ccc(C)cc1O ZINC000280064113 522625184 /nfs/dbraw/zinc/62/51/84/522625184.db2.gz KPTHKMZRXSKLDF-NFAWXSAZSA-N 1 0 265.397 3.148 20 10 CGCDRO CC[C@H]([NH2+]Cc1cccc(O)c1)c1ccccc1O ZINC000155555753 522656029 /nfs/dbraw/zinc/65/60/29/522656029.db2.gz BINKHBRKPCRCDC-HNNXBMFYSA-N 1 0 257.333 3.339 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)[C@H](C)OC)c1ccc(C)cc1O ZINC000280038664 522690350 /nfs/dbraw/zinc/69/03/50/522690350.db2.gz ISSCKJQBEZELRR-OBJOEFQTSA-N 1 0 251.370 3.165 20 10 CGCDRO CC[C@@H]([NH2+]CC[S@@](=O)C(C)(C)C)c1ccc(C)cc1O ZINC000280009094 522839312 /nfs/dbraw/zinc/83/93/12/522839312.db2.gz GNTBEFKIXVUYFE-JLTOFOAXSA-N 1 0 297.464 3.289 20 10 CGCDRO CC[C@@H]([NH2+]CC[C@@H](C)CCO)c1ccc(C)cc1O ZINC000297368553 522839919 /nfs/dbraw/zinc/83/99/19/522839919.db2.gz QHUZRXWPIRSBQU-IUODEOHRSA-N 1 0 265.397 3.150 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc(C)nc1)c1ccccc1O ZINC000062050979 522875394 /nfs/dbraw/zinc/87/53/94/522875394.db2.gz SDDMIHKKGVFZIV-OAHLLOKOSA-N 1 0 256.349 3.337 20 10 CGCDRO COCC1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000096487844 522935540 /nfs/dbraw/zinc/93/55/40/522935540.db2.gz NLGGHTRVMTVGEL-UHFFFAOYSA-N 1 0 285.387 3.404 20 10 CGCDRO CC[C@@H](c1ccncc1)[N@H+](C)Cc1ccccc1O ZINC000290340568 523121513 /nfs/dbraw/zinc/12/15/13/523121513.db2.gz FKJWZSXBDSMCCL-HNNXBMFYSA-N 1 0 256.349 3.370 20 10 CGCDRO CC[C@](C)(O)C[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000087011707 523510904 /nfs/dbraw/zinc/51/09/04/523510904.db2.gz UUCXKWRBNABXQY-SJCJKPOMSA-N 1 0 273.376 3.357 20 10 CGCDRO CC[C@@]1(CO)CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000275132877 523737821 /nfs/dbraw/zinc/73/78/21/523737821.db2.gz LIMRYHJTKYUEGD-OAHLLOKOSA-N 1 0 283.799 3.030 20 10 CGCDRO COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H](C)c2ccc(C)c(C)c2O)C1 ZINC000278912246 523966616 /nfs/dbraw/zinc/96/66/16/523966616.db2.gz VVPMWDVWJOCPMT-MELADBBJSA-N 1 0 291.391 3.001 20 10 CGCDRO COc1ccc(C[NH2+][C@H](C)c2cc(OC)ccc2O)cc1 ZINC000019909171 524089459 /nfs/dbraw/zinc/08/94/59/524089459.db2.gz HMCYQJHWORGVTM-GFCCVEGCSA-N 1 0 287.359 3.260 20 10 CGCDRO C[C@@H](CF)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000288354625 524559571 /nfs/dbraw/zinc/55/95/71/524559571.db2.gz CLBJLWKTVSHRRI-VIFPVBQESA-N 1 0 278.293 3.219 20 10 CGCDRO Cc1ccc(C[C@H](C)[NH2+]Cc2ccccc2O)s1 ZINC000080226515 524681795 /nfs/dbraw/zinc/68/17/95/524681795.db2.gz JFFVMMDZHNMNJO-NSHDSACASA-N 1 0 261.390 3.483 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CCC=C(c3ccco3)C2)c1 ZINC000289667512 524737801 /nfs/dbraw/zinc/73/78/01/524737801.db2.gz YWTUDPBPLGCVCV-UHFFFAOYSA-N 1 0 285.343 3.283 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCc3ccccc3C2)c1 ZINC000051630745 524755183 /nfs/dbraw/zinc/75/51/83/524755183.db2.gz ZDGFTVAJOJUYRD-MRXNPFEDSA-N 1 0 283.371 3.048 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]C2(c3ccccc3)CC2)c1 ZINC000264930965 525347190 /nfs/dbraw/zinc/34/71/90/525347190.db2.gz ARAKBQKDADOCQY-UHFFFAOYSA-N 1 0 253.345 3.480 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(N(C)C)cc2)c1 ZINC000071406633 525351425 /nfs/dbraw/zinc/35/14/25/525351425.db2.gz PBQXNZSOXIZEHH-UHFFFAOYSA-N 1 0 270.376 3.056 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H](C)CCO)c1ccc2ccccc2c1O ZINC000097435906 525472827 /nfs/dbraw/zinc/47/28/27/525472827.db2.gz JYGOSWYTKZQXJX-QWHCGFSZSA-N 1 0 273.376 3.215 20 10 CGCDRO CSC[C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000292874049 525651260 /nfs/dbraw/zinc/65/12/60/525651260.db2.gz WSISLEUCMNANCT-LLVKDONJSA-N 1 0 269.385 3.106 20 10 CGCDRO C[C@@]12CC[N@H+](Cc3cc(F)ccc3O)C[C@@H]1C2(F)F ZINC000292782979 525912319 /nfs/dbraw/zinc/91/23/19/525912319.db2.gz LNSXVRRXCCVVRA-QWHCGFSZSA-N 1 0 271.282 3.008 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]C[C@H]1CCCSC1 ZINC000288486831 526364038 /nfs/dbraw/zinc/36/40/38/526364038.db2.gz QLFXUNOIRYSXTL-SNVBAGLBSA-N 1 0 271.813 3.278 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCOC[C@@H]2C)cc1 ZINC000191749668 528308240 /nfs/dbraw/zinc/30/82/40/528308240.db2.gz QUKLBOHEFSVJHT-YOEHRIQHSA-N 1 0 276.424 3.047 20 10 CGCDRO C[C@H]1C[C@H](C)[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000740857871 571885591 /nfs/dbraw/zinc/88/55/91/571885591.db2.gz BAKBAWYDGXENMS-RYUDHWBXSA-N 1 0 256.349 3.171 20 10 CGCDRO COc1cccc(C[NH2+][C@@H](C)CCc2ccc(C)o2)c1O ZINC000742381077 572572804 /nfs/dbraw/zinc/57/28/04/572572804.db2.gz WCJKLIURILCXTN-LBPRGKRZSA-N 1 0 289.375 3.413 20 10 CGCDRO CSCCC[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000743841370 572686950 /nfs/dbraw/zinc/68/69/50/572686950.db2.gz JQPQLYSGTIURKX-UHFFFAOYSA-N 1 0 278.465 3.470 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)cc1C ZINC000747831407 572950754 /nfs/dbraw/zinc/95/07/54/572950754.db2.gz MJXJZVIIQHWSHQ-CVEARBPZSA-N 1 0 289.419 3.258 20 10 CGCDRO CC(C)(O)CC[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000749791072 573039668 /nfs/dbraw/zinc/03/96/68/573039668.db2.gz SROYCYIVSSNUFI-UHFFFAOYSA-N 1 0 277.408 3.298 20 10 CGCDRO C[C@H]1CC[C@H](C)C1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000749922644 573059412 /nfs/dbraw/zinc/05/94/12/573059412.db2.gz DBYMIDKRGJDAOO-RYUDHWBXSA-N 1 0 264.388 3.416 20 10 CGCDRO COc1ccccc1C[NH2+]Cc1c(O)cccc1Cl ZINC000083551127 618009561 /nfs/dbraw/zinc/00/95/61/618009561.db2.gz KTVHFKXVNHGGHD-UHFFFAOYSA-N 1 0 277.751 3.344 20 10 CGCDRO Cc1n[nH]cc1CCC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000050182728 618066095 /nfs/dbraw/zinc/06/60/95/618066095.db2.gz YLFXFYOMTZFZEY-CYBMUJFWSA-N 1 0 286.423 3.068 20 10 CGCDRO COc1ccc(C[N@@H+]2CCC[C@H]2C(C)C)c(O)c1OC ZINC000891617746 618242279 /nfs/dbraw/zinc/24/22/79/618242279.db2.gz IFJSCFASEMAFQC-ZDUSSCGKSA-N 1 0 279.380 3.030 20 10 CGCDRO c1ccc2c(c1)CC[C@H]([NH2+]Cc1ccc3c(c1)CCO3)C2 ZINC000048400279 618626668 /nfs/dbraw/zinc/62/66/68/618626668.db2.gz IYIKOSLGGCLKSE-SFHVURJKSA-N 1 0 279.383 3.269 20 10 CGCDRO O=[N+]([O-])c1ccccc1C[NH2+]Cc1cc(Cl)ccc1O ZINC000050015535 618649263 /nfs/dbraw/zinc/64/92/63/618649263.db2.gz SDKAKOMOAZETQG-UHFFFAOYSA-N 1 0 292.722 3.244 20 10 CGCDRO Cc1cccc(C[NH2+]CC(C)(C)C(C)(F)F)c1O ZINC000829236022 618700134 /nfs/dbraw/zinc/70/01/34/618700134.db2.gz GMEQUNXWANEWGG-UHFFFAOYSA-N 1 0 257.324 3.472 20 10 CGCDRO COc1ccc(N2CCC[N@H+](CC=C(C)C)CC2)cc1 ZINC000052466520 618719337 /nfs/dbraw/zinc/71/93/37/618719337.db2.gz QABIXSJTAXXJDK-UHFFFAOYSA-N 1 0 274.408 3.174 20 10 CGCDRO COc1ccc(C[NH2+][C@H](C)CCC(C)C)c(O)c1OC ZINC000892428005 618774748 /nfs/dbraw/zinc/77/47/48/618774748.db2.gz YCRCFCXUWSOPJP-GFCCVEGCSA-N 1 0 281.396 3.324 20 10 CGCDRO Cc1cc(O)c(C[NH2+]Cc2ccc(C)nc2)c(Cl)c1 ZINC000840879707 618805225 /nfs/dbraw/zinc/80/52/25/618805225.db2.gz HAGWNDFPMSSODM-UHFFFAOYSA-N 1 0 276.767 3.347 20 10 CGCDRO CC(C)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000167344643 618908579 /nfs/dbraw/zinc/90/85/79/618908579.db2.gz AREGLJOHLLZORV-UHFFFAOYSA-N 1 0 260.303 3.269 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H]1CCCSC1 ZINC000840892516 618925948 /nfs/dbraw/zinc/92/59/48/618925948.db2.gz ABGMCDYDPCJERC-GOEBONIOSA-N 1 0 292.492 3.477 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@@H]1CCCSC1 ZINC000840892515 618926031 /nfs/dbraw/zinc/92/60/31/618926031.db2.gz ABGMCDYDPCJERC-GDBMZVCRSA-N 1 0 292.492 3.477 20 10 CGCDRO CC(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccccc2O)CC1 ZINC000183406041 619044412 /nfs/dbraw/zinc/04/44/12/619044412.db2.gz OEDNRAYRXIWKJV-AWEZNQCLSA-N 1 0 276.424 3.163 20 10 CGCDRO CSC[C@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000093761047 619214754 /nfs/dbraw/zinc/21/47/54/619214754.db2.gz GBDCKWZIFVZITN-GFCCVEGCSA-N 1 0 271.813 3.373 20 10 CGCDRO COc1cccc(CC[NH2+][C@H](C)c2cc(F)ccc2O)c1 ZINC000185040648 619222076 /nfs/dbraw/zinc/22/20/76/619222076.db2.gz JEZWRSDHILHZGF-GFCCVEGCSA-N 1 0 289.350 3.433 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCO[C@H](C2CC2)C1 ZINC000840939035 619228203 /nfs/dbraw/zinc/22/82/03/619228203.db2.gz JKGAZFOWZVMJFE-WMZOPIPTSA-N 1 0 288.435 3.108 20 10 CGCDRO Cc1ccc(C[N@@H+](C)Cc2ccc(N(C)C)cc2C)nc1 ZINC000840942134 619237048 /nfs/dbraw/zinc/23/70/48/619237048.db2.gz TUKFYSDHAPJDAR-UHFFFAOYSA-N 1 0 283.419 3.396 20 10 CGCDRO Cc1cc(C[NH2+]Cc2ccc(N(C)C)cc2C)ccn1 ZINC000840950537 619253189 /nfs/dbraw/zinc/25/31/89/619253189.db2.gz KDTMJHBUZCRLDR-UHFFFAOYSA-N 1 0 269.392 3.054 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]CC[C@@H]1CCOC1 ZINC000840977917 619309355 /nfs/dbraw/zinc/30/93/55/619309355.db2.gz YFHFVLJMLYLXQC-JKSUJKDBSA-N 1 0 290.451 3.008 20 10 CGCDRO OC[C@H]1CCC[C@H]([NH2+]Cc2ccc3ccccc3c2O)C1 ZINC000840980378 619310971 /nfs/dbraw/zinc/31/09/71/619310971.db2.gz YHQGITYQHFQEFQ-BBRMVZONSA-N 1 0 285.387 3.186 20 10 CGCDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894202816 619413176 /nfs/dbraw/zinc/41/31/76/619413176.db2.gz MHIAUUONBSVZQN-NWDGAFQWSA-N 1 0 251.370 3.233 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@H](C)c2nc(C)cs2)c1O ZINC000894217838 619428336 /nfs/dbraw/zinc/42/83/36/619428336.db2.gz FHXABLXDDLAANB-LLVKDONJSA-N 1 0 292.404 3.325 20 10 CGCDRO COc1cc(C)cc(C[NH2+]CCC2=CCCC2)c1O ZINC000894360355 619504169 /nfs/dbraw/zinc/50/41/69/619504169.db2.gz ZMUZWRZCDHDDBZ-UHFFFAOYSA-N 1 0 261.365 3.299 20 10 CGCDRO COc1cc(C)cc(C[NH2+]CC[C@H]2CCO[C@H](C)C2)c1O ZINC000894443091 619538882 /nfs/dbraw/zinc/53/88/82/619538882.db2.gz CUOKNWKIRFPUKN-KGLIPLIRSA-N 1 0 293.407 3.004 20 10 CGCDRO CC[C@H]1CC[C@H]([NH2+]Cc2ccc(OC)c(OC)c2O)CC1 ZINC000894604425 619584742 /nfs/dbraw/zinc/58/47/42/619584742.db2.gz FNISXLAABMVKPK-MQMHXKEQSA-N 1 0 293.407 3.468 20 10 CGCDRO COc1ccc(C[N@@H+]2CC(C)(C)[C@H]2C(C)C)c(O)c1OC ZINC000894607317 619585489 /nfs/dbraw/zinc/58/54/89/619585489.db2.gz YGUZKJRUQFHOLA-MRXNPFEDSA-N 1 0 293.407 3.276 20 10 CGCDRO COc1ccc(C[NH2+]CC(C)(C)C2CCC2)c(O)c1OC ZINC000894716007 619610441 /nfs/dbraw/zinc/61/04/41/619610441.db2.gz SAPDDEVPAWPQKE-UHFFFAOYSA-N 1 0 293.407 3.325 20 10 CGCDRO Cc1cc(O)c(C[NH+]2CC(C(F)(F)F)C2)cc1C ZINC000894891725 619670169 /nfs/dbraw/zinc/67/01/69/619670169.db2.gz DYITUJXATGSOGC-UHFFFAOYSA-N 1 0 259.271 3.003 20 10 CGCDRO CCc1c[nH]c2ncnc(N[C@H](C)c3ccccc3O)c12 ZINC000895029299 619699109 /nfs/dbraw/zinc/69/91/09/619699109.db2.gz OHVSMBIBMUQCKC-SNVBAGLBSA-N 1 0 282.347 3.399 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]Cc1cnc(Cl)s1 ZINC000895153575 619758919 /nfs/dbraw/zinc/75/89/19/619758919.db2.gz PCCCBXXDTGUGAH-UHFFFAOYSA-N 1 0 268.769 3.100 20 10 CGCDRO CC[C@](C)([NH2+]Cc1cc(C)cc(OC)c1O)C1CC1 ZINC000895277742 619794230 /nfs/dbraw/zinc/79/42/30/619794230.db2.gz MLMBBTCTLOHCQZ-INIZCTEOSA-N 1 0 263.381 3.378 20 10 CGCDRO COc1cc(C)cc(C[NH2+]C[C@@H](OC)C2CCCC2)c1O ZINC000895334856 619806828 /nfs/dbraw/zinc/80/68/28/619806828.db2.gz HUDRHNXBVJGTRP-MRXNPFEDSA-N 1 0 293.407 3.004 20 10 CGCDRO COc1cc(C)cc(C[NH2+]CC2(C)CC(F)(F)C2)c1O ZINC000895533082 619843179 /nfs/dbraw/zinc/84/31/79/619843179.db2.gz YOEOOJILUOAODK-UHFFFAOYSA-N 1 0 285.334 3.234 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](CF)C2)cc1Cl ZINC000895568040 619854018 /nfs/dbraw/zinc/85/40/18/619854018.db2.gz LPGLSTNTLQRRJJ-SNVBAGLBSA-N 1 0 257.736 3.145 20 10 CGCDRO COc1ccc(C[NH+]2CC(c3ccccc3)C2)c(O)c1OC ZINC000895694036 619871782 /nfs/dbraw/zinc/87/17/82/619871782.db2.gz QJCQRJYWFLJTKI-UHFFFAOYSA-N 1 0 299.370 3.009 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCSC3(CCC3)C2)c1 ZINC000896952703 620112335 /nfs/dbraw/zinc/11/23/35/620112335.db2.gz ZKMWUGJUHBPJME-CYBMUJFWSA-N 1 0 293.432 3.309 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)[C@H]1C[C@H]1C ZINC000840714124 620152382 /nfs/dbraw/zinc/15/23/82/620152382.db2.gz IQJHZSBWKSTHKW-KEYYUXOJSA-N 1 0 290.476 3.374 20 10 CGCDRO Cc1cccc(C[NH2+]C[C@]2(c3ccccc3)CCCO2)c1O ZINC000897236214 620167904 /nfs/dbraw/zinc/16/79/04/620167904.db2.gz CPZLTCAKJKTUFD-IBGZPJMESA-N 1 0 297.398 3.496 20 10 CGCDRO Oc1ccc(Br)cc1C[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000797905015 620238352 /nfs/dbraw/zinc/23/83/52/620238352.db2.gz TYJUDJFOLVPEOK-QWHCGFSZSA-N 1 0 296.208 3.433 20 10 CGCDRO Cc1cccc(C[NH2+][C@H](C)c2ccc3c(c2)CCO3)c1O ZINC000897418471 620297651 /nfs/dbraw/zinc/29/76/51/620297651.db2.gz QSJDUNXLRHOJSK-CYBMUJFWSA-N 1 0 283.371 3.486 20 10 CGCDRO COc1ncccc1C[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841745645 620351752 /nfs/dbraw/zinc/35/17/52/620351752.db2.gz RRYZZVAHCCEHRI-SNVBAGLBSA-N 1 0 292.766 3.300 20 10 CGCDRO C[C@@H]([NH2+][C@H](CO)CC1CCC1)c1ccc(Cl)cc1O ZINC000841751617 620375146 /nfs/dbraw/zinc/37/51/46/620375146.db2.gz IFWBSPVWRXPDPU-MFKMUULPSA-N 1 0 283.799 3.247 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1cncs1 ZINC000897929291 620449837 /nfs/dbraw/zinc/44/98/37/620449837.db2.gz PPYAJIDLKGKCOC-NSHDSACASA-N 1 0 274.389 3.319 20 10 CGCDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000898071580 620477189 /nfs/dbraw/zinc/47/71/89/620477189.db2.gz PLSMBLJMUBRDOR-NSHDSACASA-N 1 0 292.379 3.052 20 10 CGCDRO CC[C@@](C)(C[NH2+][C@@H](C)c1cc(C)ccc1O)OC ZINC000322962489 620527267 /nfs/dbraw/zinc/52/72/67/620527267.db2.gz UXQTZRLNXXUNKJ-WFASDCNBSA-N 1 0 251.370 3.166 20 10 CGCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+][C@@H]1CCC[C@H]1O ZINC000265713918 620532466 /nfs/dbraw/zinc/53/24/66/620532466.db2.gz XIHHTUIMOXWXLS-SJLPKXTDSA-N 1 0 283.371 3.062 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@]2(C)CCCCO2)c1 ZINC000927015247 620561405 /nfs/dbraw/zinc/56/14/05/620561405.db2.gz ADIAFUVBLPEGKI-MLGOLLRUSA-N 1 0 279.380 3.011 20 10 CGCDRO CNc1ccccc1C[NH2+]Cc1ccc(N(C)C)cc1C ZINC000902246552 621220102 /nfs/dbraw/zinc/22/01/02/621220102.db2.gz ZGSNITGEFQLCTK-UHFFFAOYSA-N 1 0 283.419 3.393 20 10 CGCDRO C[C@H](N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccc2ccccc2c1O ZINC000902476211 621325984 /nfs/dbraw/zinc/32/59/84/621325984.db2.gz NPMXSNJJUKNROX-YCCRMZCTSA-N 1 0 282.387 3.089 20 10 CGCDRO CC[C@H]([NH2+]Cc1cc(N(C)C)ccn1)c1ccc(C)cc1O ZINC000903198616 621622815 /nfs/dbraw/zinc/62/28/15/621622815.db2.gz NEOFPXPJYCQNRW-KRWDZBQOSA-N 1 0 299.418 3.403 20 10 CGCDRO C[C@@H]([NH2+]Cc1cc(N(C)C)ccn1)c1ccc(N(C)C)cc1 ZINC000903200959 621624768 /nfs/dbraw/zinc/62/47/68/621624768.db2.gz DBPAYCBKUVCQFP-CQSZACIVSA-N 1 0 298.434 3.064 20 10 CGCDRO C[C@@H]([NH2+]Cc1cnn(CCF)c1)c1cc(Cl)ccc1O ZINC000903275260 621659162 /nfs/dbraw/zinc/65/91/62/621659162.db2.gz YMQQKOCWUFBVEX-SNVBAGLBSA-N 1 0 297.761 3.062 20 10 CGCDRO C[C@H](N[C@@H](CC[NH+](C)C)c1cccnc1)c1ccccc1O ZINC000903379700 621723169 /nfs/dbraw/zinc/72/31/69/621723169.db2.gz IBDAQXGKIAFHPX-YOEHRIQHSA-N 1 0 299.418 3.131 20 10 CGCDRO C[C@@H]([NH2+]CC[C@@H](O)C1CC1)c1cc2c(cc1O)CCCC2 ZINC000903405899 621729597 /nfs/dbraw/zinc/72/95/97/621729597.db2.gz FWUIJZLSLCNGTR-SJKOYZFVSA-N 1 0 289.419 3.083 20 10 CGCDRO CC[C@@H]([NH2+]CC[C@@H](O)C1CC1)c1cc(Cl)ccc1O ZINC000903406197 621729643 /nfs/dbraw/zinc/72/96/43/621729643.db2.gz HIFBYHMPDRUOOI-ZIAGYGMSSA-N 1 0 283.799 3.247 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(CCO)cc2)c(O)c1 ZINC000903403519 621740517 /nfs/dbraw/zinc/74/05/17/621740517.db2.gz RRNFPUAKZHNDNH-AWEZNQCLSA-N 1 0 285.387 3.086 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2COC[C@H]2C2CC2)c1O ZINC000903440928 621750495 /nfs/dbraw/zinc/75/04/95/621750495.db2.gz VTOGLNUJBNVQMS-LKTVYLICSA-N 1 0 295.810 3.430 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@H](O)Cc2ccccc2)c(O)c1 ZINC000186147851 625521718 /nfs/dbraw/zinc/52/17/18/625521718.db2.gz RGKBPTWPRNGHBM-HDMKZQKVSA-N 1 0 299.414 3.343 20 10 CGCDRO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000042879945 621885389 /nfs/dbraw/zinc/88/53/89/621885389.db2.gz BRMVSNWALVSEQO-DGCLKSJQSA-N 1 0 277.364 3.179 20 10 CGCDRO CCOc1cccc(C[N@@H+]2C[C@@H](C)CC[C@@H]2C)c1O ZINC000156056271 622677064 /nfs/dbraw/zinc/67/70/64/622677064.db2.gz LJRJFDQIOGWXIY-STQMWFEESA-N 1 0 263.381 3.411 20 10 CGCDRO CC(C)[C@@H](C)[NH2+]Cc1cc(Br)ccc1O ZINC000163754643 622799992 /nfs/dbraw/zinc/79/99/92/622799992.db2.gz RLNGEZGBVGYMJQ-SECBINFHSA-N 1 0 272.186 3.289 20 10 CGCDRO CCN(CC)C[C@H](C)[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC000059715308 622811169 /nfs/dbraw/zinc/81/11/69/622811169.db2.gz KPLIXVPCPAZTOR-INIZCTEOSA-N 1 0 291.483 3.353 20 10 CGCDRO COc1cc(C)cc(C[NH+]2CCc3ccccc3CC2)c1O ZINC000164392430 622830501 /nfs/dbraw/zinc/83/05/01/622830501.db2.gz YEPDICLSXUFWBQ-UHFFFAOYSA-N 1 0 297.398 3.310 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)[C@H](O)Cc1ccccc1)c1ccccc1O ZINC000156831211 622848161 /nfs/dbraw/zinc/84/81/61/622848161.db2.gz JMLBQZLXSUUFAS-UCLAIMLFSA-N 1 0 299.414 3.425 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]C[C@@H]1CC=CCC1 ZINC000045628815 622875852 /nfs/dbraw/zinc/87/58/52/622875852.db2.gz RKOIDAUZIGOVNR-LLVKDONJSA-N 1 0 251.757 3.492 20 10 CGCDRO CC1(C)C[NH+](Cc2cc(Cl)ccc2O)CC(C)(C)O1 ZINC000226455357 622971959 /nfs/dbraw/zinc/97/19/59/622971959.db2.gz WZPIUZHWTMRBDN-UHFFFAOYSA-N 1 0 283.799 3.435 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]CCCOc1ccccc1 ZINC000226583478 622983464 /nfs/dbraw/zinc/98/34/64/622983464.db2.gz HQLSNZDMPQISBN-UHFFFAOYSA-N 1 0 275.323 3.090 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCOc2cccnc2)cc1 ZINC000169013080 623020869 /nfs/dbraw/zinc/02/08/69/623020869.db2.gz CRIRYQOEZBUWHL-HNNXBMFYSA-N 1 0 299.418 3.267 20 10 CGCDRO Cc1ccc(CC[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000083495576 625628081 /nfs/dbraw/zinc/62/80/81/625628081.db2.gz OSJPKWKJTJDORU-UHFFFAOYSA-N 1 0 267.372 3.262 20 10 CGCDRO COc1ccc(C[NH2+]C2Cc3ccccc3C2)cc1C ZINC000083495587 625629842 /nfs/dbraw/zinc/62/98/42/625629842.db2.gz YLNMDRCEHIATBD-UHFFFAOYSA-N 1 0 267.372 3.261 20 10 CGCDRO Cc1nc(CC[NH2+][C@H](C)c2cc(F)ccc2O)cs1 ZINC000230658508 623261030 /nfs/dbraw/zinc/26/10/30/623261030.db2.gz ZULLQURDIFFHJR-SECBINFHSA-N 1 0 280.368 3.190 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCSC(F)(F)F)cc1C ZINC000174285162 623379923 /nfs/dbraw/zinc/37/99/23/623379923.db2.gz SEMVWMYOLSEEJK-UHFFFAOYSA-N 1 0 279.327 3.352 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]Cc1cccc2c1OCO2 ZINC000083552099 625645552 /nfs/dbraw/zinc/64/55/52/625645552.db2.gz CLIPGUBLAKOXBK-UHFFFAOYSA-N 1 0 291.734 3.064 20 10 CGCDRO C[C@H](Cc1ccco1)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000035254452 623422747 /nfs/dbraw/zinc/42/27/47/623422747.db2.gz IZSWJOPYTBTFBT-CYBMUJFWSA-N 1 0 258.365 3.066 20 10 CGCDRO CCOCC(C)(C)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000311737052 623463668 /nfs/dbraw/zinc/46/36/68/623463668.db2.gz SBTUAAQNMRRWRH-ZDUSSCGKSA-N 1 0 263.381 3.032 20 10 CGCDRO CC[C@@H]([NH2+]CC(C)(C)N(C)C)c1ccc(N(C)C)cc1 ZINC000152613366 623695256 /nfs/dbraw/zinc/69/52/56/623695256.db2.gz OZNASZIUXYWGCI-MRXNPFEDSA-N 1 0 277.456 3.134 20 10 CGCDRO CC[C@H]([NH2+]CC(C)(C)N(C)C)c1ccc(N(C)C)cc1 ZINC000152613272 623695292 /nfs/dbraw/zinc/69/52/92/623695292.db2.gz OZNASZIUXYWGCI-INIZCTEOSA-N 1 0 277.456 3.134 20 10 CGCDRO COc1cc(C)cc(C[N@H+](C)Cc2cccs2)c1O ZINC000915809371 624032989 /nfs/dbraw/zinc/03/29/89/624032989.db2.gz MIXNHHFJRFOQHA-UHFFFAOYSA-N 1 0 277.389 3.403 20 10 CGCDRO CCOC[C@@H]([NH2+]Cc1ccc(OC)c(C)c1)C(C)C ZINC000233735539 624641755 /nfs/dbraw/zinc/64/17/55/624641755.db2.gz WPNIIAVFSOXSBU-OAHLLOKOSA-N 1 0 265.397 3.154 20 10 CGCDRO COc1ccc(O)c(C[N@H+](C)Cc2ccccc2OC)c1 ZINC000179559545 624666692 /nfs/dbraw/zinc/66/66/92/624666692.db2.gz SZVSDFTVQIPYQP-UHFFFAOYSA-N 1 0 287.359 3.041 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CC(C)(C)OC2(C)C)cc1C ZINC000180367235 624743014 /nfs/dbraw/zinc/74/30/14/624743014.db2.gz RYLDHGUYNMPTPM-OAHLLOKOSA-N 1 0 277.408 3.445 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](C)c2nc(C)cs2)c1 ZINC000069168215 624801633 /nfs/dbraw/zinc/80/16/33/624801633.db2.gz IFHDMHFFAZSKBY-NSHDSACASA-N 1 0 292.404 3.407 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CC[C@H](C)C[C@H]2C)c1 ZINC000070111102 624957902 /nfs/dbraw/zinc/95/79/02/624957902.db2.gz FTQYGOGTQAJVRF-YWPYICTPSA-N 1 0 263.381 3.315 20 10 CGCDRO CCOCCC[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000184830933 625275206 /nfs/dbraw/zinc/27/52/06/625275206.db2.gz BVFIJSVVUGTYGN-CYBMUJFWSA-N 1 0 277.408 3.348 20 10 CGCDRO CCOc1ccc(O)c(C[N@H+](C)C[C@H](C)CC)c1 ZINC000091796702 625795901 /nfs/dbraw/zinc/79/59/01/625795901.db2.gz QXAHBFRCAVEKLN-GFCCVEGCSA-N 1 0 251.370 3.269 20 10 CGCDRO Cc1noc(C)c1C[N@@H+](C)Cc1cc2c(cc1O)CCC2 ZINC000073587274 625799580 /nfs/dbraw/zinc/79/95/80/625799580.db2.gz OSSUFXIDAVZEMA-UHFFFAOYSA-N 1 0 286.375 3.118 20 10 CGCDRO c1cc2c(cc1C[NH2+][C@@H]1[C@@H]3CCO[C@H]3C13CCC3)CCCO2 ZINC000921934488 625934178 /nfs/dbraw/zinc/93/41/78/625934178.db2.gz GLBAUILJAUAXPX-CGTJXYLNSA-N 1 0 299.414 3.059 20 10 CGCDRO Clc1ccc(C[NH2+]Cc2ccc3c(c2)CCCO3)nc1 ZINC000921966143 625947801 /nfs/dbraw/zinc/94/78/01/625947801.db2.gz VQVKYKKLCLYIIU-UHFFFAOYSA-N 1 0 288.778 3.350 20 10 CGCDRO COC1([C@H](C)[NH2+]Cc2ccc3c(c2)CCCO3)CCC1 ZINC000922185313 625981228 /nfs/dbraw/zinc/98/12/28/625981228.db2.gz LAQZXWUFBNZSHQ-ZDUSSCGKSA-N 1 0 275.392 3.059 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1)c1ccccc1O ZINC000922328878 625998300 /nfs/dbraw/zinc/99/83/00/625998300.db2.gz HNEBZPGFDQGCJZ-KBUPBQIOSA-N 1 0 275.392 3.248 20 10 CGCDRO COc1ccc(C[NH2+]C[C@]2(C)CCCCO2)cc1C ZINC000922817019 626050495 /nfs/dbraw/zinc/05/04/95/626050495.db2.gz MKAKSUGVAXXRMJ-INIZCTEOSA-N 1 0 263.381 3.052 20 10 CGCDRO CCOc1ccc(C[NH2+][C@H]2CCS[C@@H](C)C2)c(O)c1 ZINC000922841837 626055654 /nfs/dbraw/zinc/05/56/54/626055654.db2.gz JHPDQUBVQSHVRA-AAEUAGOBSA-N 1 0 281.421 3.165 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H](C2CC2)[C@H]2CCCOC2)cc1C ZINC000922894717 626091273 /nfs/dbraw/zinc/09/12/73/626091273.db2.gz BQMPANPYUIECEY-MAUKXSAKSA-N 1 0 289.419 3.304 20 10 CGCDRO C[C@H]([NH2+]C[C@]1(C)CCOC1)c1cc(Cl)ccc1O ZINC000756572790 626096891 /nfs/dbraw/zinc/09/68/91/626096891.db2.gz ILINRZLXZQJWKG-HZMBPMFUSA-N 1 0 269.772 3.123 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]C1([C@H]2CCCCO2)CC1 ZINC000923028090 626119767 /nfs/dbraw/zinc/11/97/67/626119767.db2.gz TXDIIKSCVQIXFH-CQSZACIVSA-N 1 0 281.783 3.237 20 10 CGCDRO COCC1(C)C[NH+](Cc2ccc3ccccc3c2O)C1 ZINC000839143892 626323794 /nfs/dbraw/zinc/32/37/94/626323794.db2.gz PNWKSQDTBTZVJB-UHFFFAOYSA-N 1 0 271.360 3.014 20 10 CGCDRO COc1cc(C[N@@H+]2CCSC(C)(C)CC2)c(O)cc1C ZINC000788378277 626362066 /nfs/dbraw/zinc/36/20/66/626362066.db2.gz PRTJRQBHRCXTHN-UHFFFAOYSA-N 1 0 295.448 3.427 20 10 CGCDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1cc(C)cc(OC)c1O ZINC000754735861 626585513 /nfs/dbraw/zinc/58/55/13/626585513.db2.gz FOSCZYBKXPABHA-TZMCWYRMSA-N 1 0 263.381 3.330 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]Cc2cccnc2N(C)C)c(O)c1C ZINC000756411905 626702859 /nfs/dbraw/zinc/70/28/59/626702859.db2.gz QZDGERSFWWURKQ-AWEZNQCLSA-N 1 0 299.418 3.321 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccccc2CO)c(O)c1 ZINC000756461102 626707172 /nfs/dbraw/zinc/70/71/72/626707172.db2.gz VNFRBQCCHUACMK-ZDUSSCGKSA-N 1 0 271.360 3.044 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](CO)Cc2ccccc2)c(O)c1 ZINC000756460849 626707215 /nfs/dbraw/zinc/70/72/15/626707215.db2.gz UJVFYOCFBIFIIA-WBVHZDCISA-N 1 0 299.414 3.202 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]Cc2cscn2)c(O)c1C ZINC000756507066 626710702 /nfs/dbraw/zinc/71/07/02/626710702.db2.gz ADFQTYPWFWGRGY-NSHDSACASA-N 1 0 262.378 3.316 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CC2(O)CCCCC2)c(O)c1C ZINC000756513091 626711459 /nfs/dbraw/zinc/71/14/59/626711459.db2.gz CAEUIQVIHSLSIQ-CQSZACIVSA-N 1 0 277.408 3.355 20 10 CGCDRO CCN(CC[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F)C1CC1 ZINC000756524575 626712038 /nfs/dbraw/zinc/71/20/38/626712038.db2.gz KXRXEJFEKLTAMR-BXUZGUMPSA-N 1 0 292.398 3.154 20 10 CGCDRO Cc1ccn2cc(C[NH2+][C@H](C)c3cc(F)ccc3O)nc2c1 ZINC000756532351 626712541 /nfs/dbraw/zinc/71/25/41/626712541.db2.gz DQJJDOQVIAMTEJ-GFCCVEGCSA-N 1 0 299.349 3.338 20 10 CGCDRO C[C@@H]([NH2+]C[C@@](C)(O)C1CC1)c1cc2c(cc1O)CCCC2 ZINC000756569554 626716298 /nfs/dbraw/zinc/71/62/98/626716298.db2.gz QSPMIHWZZUVBGC-KZULUSFZSA-N 1 0 289.419 3.083 20 10 CGCDRO CCc1cc(C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)[nH]n1 ZINC000756570404 626716303 /nfs/dbraw/zinc/71/63/03/626716303.db2.gz BKPRFPWZGGSKRX-TVQRCGJNSA-N 1 0 289.354 3.155 20 10 CGCDRO CSCCC[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756584353 626718275 /nfs/dbraw/zinc/71/82/75/626718275.db2.gz FJCDNJIXGMUVED-GXSJLCMTSA-N 1 0 269.385 3.422 20 10 CGCDRO CCc1cc(C[NH2+][C@H](C)c2cc(C)ccc2O)on1 ZINC000756603490 626719786 /nfs/dbraw/zinc/71/97/86/626719786.db2.gz CNEZTKCZYCXJCM-LLVKDONJSA-N 1 0 260.337 3.102 20 10 CGCDRO CC(C)[C@@H](CCO)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000756609978 626720706 /nfs/dbraw/zinc/72/07/06/626720706.db2.gz PAJGCUCBPKFLDW-SUMWQHHRSA-N 1 0 291.435 3.329 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCN(C)[C@H](C)C1)c1cc(Cl)ccc1O ZINC000756608886 626720826 /nfs/dbraw/zinc/72/08/26/626720826.db2.gz DYPUQCGZAGXFTL-MDZLAQPJSA-N 1 0 282.815 3.179 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2csc(N(C)C)n2)c(O)c1 ZINC000756636536 626722884 /nfs/dbraw/zinc/72/28/84/626722884.db2.gz KFKKPPKSUKBECN-LLVKDONJSA-N 1 0 291.420 3.074 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccn(C)c2)c2c1c(F)ccc2O ZINC000756638941 626723593 /nfs/dbraw/zinc/72/35/93/626723593.db2.gz XHFYNUDFCUNZEJ-ZWNOBZJWSA-N 1 0 274.339 3.208 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@]2(C)CCCO2)c(O)c1C ZINC000756647017 626724049 /nfs/dbraw/zinc/72/40/49/626724049.db2.gz PSWBBIOFIYQMBJ-BBRMVZONSA-N 1 0 263.381 3.229 20 10 CGCDRO C[C@@H]([NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)C1CCOCC1 ZINC000756656372 626725152 /nfs/dbraw/zinc/72/51/52/626725152.db2.gz WQHSSSVVCJGJAE-GYSYKLTISA-N 1 0 293.382 3.484 20 10 CGCDRO C[C@H]1C[C@H]([NH2+]CCc2cscn2)c2c1c(F)ccc2O ZINC000756660195 626725500 /nfs/dbraw/zinc/72/55/00/626725500.db2.gz KWHVGIXYBGBMQB-CABZTGNLSA-N 1 0 292.379 3.368 20 10 CGCDRO C[C@H]1C[C@H]([NH2+]CC(C)(C)CCCO)c2c1c(F)ccc2O ZINC000756665424 626726089 /nfs/dbraw/zinc/72/60/89/626726089.db2.gz WKBFIPDTVIGQCA-AAEUAGOBSA-N 1 0 295.398 3.468 20 10 CGCDRO Cc1ccsc1[C@H](CO)[NH2+][C@H](C)c1ccc(C)cc1O ZINC000756735586 626728749 /nfs/dbraw/zinc/72/87/49/626728749.db2.gz FSPOVKCNUJYROQ-OCCSQVGLSA-N 1 0 291.416 3.455 20 10 CGCDRO C[C@H]1C[C@@H]([NH2+]CC2(C)CCOCC2)c2c1c(F)ccc2O ZINC000756747591 626729031 /nfs/dbraw/zinc/72/90/31/626729031.db2.gz RMVZCQIUZCZSIS-WCQYABFASA-N 1 0 293.382 3.486 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCC[C@@H](OC)C2)c1 ZINC000756759071 626729666 /nfs/dbraw/zinc/72/96/66/626729666.db2.gz IJOPIWAOZFADIB-RWMBFGLXSA-N 1 0 279.380 3.009 20 10 CGCDRO Cc1cnccc1CC[NH2+][C@H](C)c1cc(F)ccc1O ZINC000756769866 626730926 /nfs/dbraw/zinc/73/09/26/626730926.db2.gz OUYJXUMLAGVACQ-GFCCVEGCSA-N 1 0 274.339 3.128 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1cn[nH]c1)c1cc(Cl)ccc1O ZINC000756776755 626731524 /nfs/dbraw/zinc/73/15/24/626731524.db2.gz RBOQLRCUSBOOEA-DTWKUNHWSA-N 1 0 265.744 3.181 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1cc(Cl)ccc1O ZINC000756781391 626731715 /nfs/dbraw/zinc/73/17/15/626731715.db2.gz CPTDDNCISBZLIP-JFGNBEQYSA-N 1 0 269.772 3.264 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CC2([C@H](O)C(C)C)CC2)c(O)c1C ZINC000756791225 626732552 /nfs/dbraw/zinc/73/25/52/626732552.db2.gz QOHQZAIVNQGCOX-RHSMWYFYSA-N 1 0 291.435 3.457 20 10 CGCDRO C[C@H]1C[C@H]([NH2+]CCCCCCO)c2c1c(F)ccc2O ZINC000756790852 626732593 /nfs/dbraw/zinc/73/25/93/626732593.db2.gz PMVVSIRSEHXLNW-AAEUAGOBSA-N 1 0 281.371 3.222 20 10 CGCDRO CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H](C)c2ccc(C)cc2O)C1(C)C ZINC000756792033 626733146 /nfs/dbraw/zinc/73/31/46/626733146.db2.gz WWLLLXKKLYYHKR-GUYJKWIASA-N 1 0 277.408 3.411 20 10 CGCDRO C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])c1cncc(F)c1 ZINC000757636693 626795769 /nfs/dbraw/zinc/79/57/69/626795769.db2.gz FQMLPOGGHGMAGJ-UWVGGRQHSA-N 1 0 278.302 3.477 20 10 CGCDRO C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1cncc(F)c1 ZINC000757638668 626796288 /nfs/dbraw/zinc/79/62/88/626796288.db2.gz MQNAXSYWULKEDP-UWVGGRQHSA-N 1 0 278.302 3.477 20 10 CGCDRO COc1ccc(C[NH2+]Cc2cc(C)ccc2O)c(F)c1 ZINC000758485661 626845977 /nfs/dbraw/zinc/84/59/77/626845977.db2.gz BRVQAHSQYOJTOR-UHFFFAOYSA-N 1 0 275.323 3.138 20 10 CGCDRO Oc1cccc(Cl)c1C[N@@H+]1CCOCC2(CCC2)C1 ZINC000761224792 627027394 /nfs/dbraw/zinc/02/73/94/627027394.db2.gz AJLKJHXFGAQROT-UHFFFAOYSA-N 1 0 281.783 3.048 20 10 CGCDRO CCC[N@H+](Cc1ccnc(OC)c1)Cc1ccccc1O ZINC000762926532 627132012 /nfs/dbraw/zinc/13/20/12/627132012.db2.gz SMZCJTINBKQVHK-UHFFFAOYSA-N 1 0 286.375 3.208 20 10 CGCDRO Cc1cc(CC[NH2+][C@H]2CCCOC2)c(C)n1-c1ccccc1 ZINC000764718006 627219938 /nfs/dbraw/zinc/21/99/38/627219938.db2.gz SQDKGFUKCDEQCQ-SFHVURJKSA-N 1 0 298.430 3.405 20 10 CGCDRO COC[C@H](CC(C)C)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000764903491 627232522 /nfs/dbraw/zinc/23/25/22/627232522.db2.gz USQKNUUIEXYDQB-KRWDZBQOSA-N 1 0 290.451 3.438 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H](C2CC2)N(C)C)cc1 ZINC000765148942 627241640 /nfs/dbraw/zinc/24/16/40/627241640.db2.gz ZOCZIEOPOAHCRY-KBXCAEBGSA-N 1 0 289.467 3.134 20 10 CGCDRO Cc1cc(O)c(C[NH+]2CCC(C(F)F)CC2)cc1C ZINC000765146737 627241675 /nfs/dbraw/zinc/24/16/75/627241675.db2.gz KOJOJEPBRNZMBP-UHFFFAOYSA-N 1 0 269.335 3.486 20 10 CGCDRO Cc1ccccc1[C@H](CO)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000766402404 627327535 /nfs/dbraw/zinc/32/75/35/627327535.db2.gz XEXRGSIRPGHWJN-BEFAXECRSA-N 1 0 298.430 3.445 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)CCC(=O)C2CC2)cc1 ZINC000767361462 627401627 /nfs/dbraw/zinc/40/16/27/627401627.db2.gz MLAXZKQAJJNQNV-UHFFFAOYSA-N 1 0 288.435 3.334 20 10 CGCDRO CC[NH+](CC)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768134988 627462429 /nfs/dbraw/zinc/46/24/29/627462429.db2.gz ZJPNELHKIXOOEZ-UHFFFAOYSA-N 1 0 291.395 3.427 20 10 CGCDRO COc1cccc(C[N@H+](C)Cc2c(O)cccc2OC)c1 ZINC000768162347 627464945 /nfs/dbraw/zinc/46/49/45/627464945.db2.gz CCPXASHNOYJCDT-UHFFFAOYSA-N 1 0 287.359 3.041 20 10 CGCDRO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1cc(C)c(C)cc1O ZINC000768172933 627465858 /nfs/dbraw/zinc/46/58/58/627465858.db2.gz RSCQIELROQMATJ-ZFWWWQNUSA-N 1 0 263.381 3.008 20 10 CGCDRO COc1cc(O)c(C[NH+]2CCC(C)(C)CC2)cc1OC ZINC000768453397 627480394 /nfs/dbraw/zinc/48/03/94/627480394.db2.gz WJJFMJXVLSAPPX-UHFFFAOYSA-N 1 0 279.380 3.031 20 10 CGCDRO COc1cc(C[N@@H+]2CCC[C@H]2c2ccccn2)c(O)cc1C ZINC000768441561 627480535 /nfs/dbraw/zinc/48/05/35/627480535.db2.gz DOWCHAXUMZGYFT-INIZCTEOSA-N 1 0 298.386 3.441 20 10 CGCDRO CC[N@H+](CCC(F)(F)F)Cc1cc(OC)c(C)cc1O ZINC000768445717 627480797 /nfs/dbraw/zinc/48/07/97/627480797.db2.gz TXVKXMZOYMNPHP-UHFFFAOYSA-N 1 0 291.313 3.484 20 10 CGCDRO COc1cc(C[N@@H+]2CCOc3ccccc3C2)c(O)cc1C ZINC000768443237 627480872 /nfs/dbraw/zinc/48/08/72/627480872.db2.gz RVPILGAMVFRPJP-UHFFFAOYSA-N 1 0 299.370 3.104 20 10 CGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCOC1 ZINC000768531125 627484426 /nfs/dbraw/zinc/48/44/26/627484426.db2.gz WEYOPSTYKVJOBR-AWEZNQCLSA-N 1 0 263.381 3.031 20 10 CGCDRO C[N@H+](Cc1ccc2c(c1)COC2)Cc1ccccc1O ZINC000768873552 627505177 /nfs/dbraw/zinc/50/51/77/627505177.db2.gz PXIPNAHLGMDUTM-UHFFFAOYSA-N 1 0 269.344 3.054 20 10 CGCDRO CCOc1ccc(O)c(C[NH+]2CCC(OC(C)C)CC2)c1 ZINC000768991572 627514279 /nfs/dbraw/zinc/51/42/79/627514279.db2.gz BFJFKDCLYIQMDF-UHFFFAOYSA-N 1 0 293.407 3.180 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@H]1C(C)(C)C ZINC000769315878 627539933 /nfs/dbraw/zinc/53/99/33/627539933.db2.gz XAJFEHWFIZTIBL-HNNXBMFYSA-N 1 0 263.381 3.411 20 10 CGCDRO CCCO[C@@H]1CCC[N@H+](Cc2c(O)cccc2OC)CC1 ZINC000769383648 627547151 /nfs/dbraw/zinc/54/71/51/627547151.db2.gz FWVFQOOHJHSMAN-CQSZACIVSA-N 1 0 293.407 3.182 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CCC2(CCCC2)C1 ZINC000769395300 627548293 /nfs/dbraw/zinc/54/82/93/627548293.db2.gz PRSZPGZWBVDWTO-UHFFFAOYSA-N 1 0 261.365 3.167 20 10 CGCDRO CCC1(CC)CC[N@H+](Cc2c(O)cccc2OC)C1 ZINC000769400013 627548502 /nfs/dbraw/zinc/54/85/02/627548502.db2.gz ZTODSUPFYBAJEF-UHFFFAOYSA-N 1 0 263.381 3.413 20 10 CGCDRO C[C@@H]1SCC[N@H+](Cc2ccc(N(C)C)c(F)c2)[C@H]1C ZINC000769446243 627552803 /nfs/dbraw/zinc/55/28/03/627552803.db2.gz LAZWJSBXBOLHCV-RYUDHWBXSA-N 1 0 282.428 3.218 20 10 CGCDRO CO[C@H](C)C[N@H+](Cc1ccc(N(C)C)c(F)c1)C(C)C ZINC000769476163 627558642 /nfs/dbraw/zinc/55/86/42/627558642.db2.gz WUPSVPRYEVJLEI-CYBMUJFWSA-N 1 0 282.403 3.137 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CC[C@](C)(CC)C2)c(O)c1 ZINC000769519723 627562333 /nfs/dbraw/zinc/56/23/33/627562333.db2.gz ZZBDTYQGJQTPAP-INIZCTEOSA-N 1 0 263.381 3.413 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CCS[C@H](C(C)C)C2)c(O)c1 ZINC000769548011 627564333 /nfs/dbraw/zinc/56/43/33/627564333.db2.gz GBKMMWMABCQGNK-INIZCTEOSA-N 1 0 295.448 3.364 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2ccc(N(C)C)c(F)c2)[C@H]1C ZINC000770284219 627611605 /nfs/dbraw/zinc/61/16/05/627611605.db2.gz OBUTUVNUSPHCJL-NEPJUHHUSA-N 1 0 250.361 3.122 20 10 CGCDRO C[N@H+](Cc1cccc(O)c1)Cc1cc(Cl)ccc1O ZINC000771934717 627746488 /nfs/dbraw/zinc/74/64/88/627746488.db2.gz CSSTZAGQNBSOCH-UHFFFAOYSA-N 1 0 277.751 3.383 20 10 CGCDRO CC[C@@H]([NH2+]CCC[C@@H](O)CC)c1ccc(N(C)C)cc1 ZINC000773016695 627842770 /nfs/dbraw/zinc/84/27/70/627842770.db2.gz QOXRHSAKDIBIIK-DLBZAZTESA-N 1 0 278.440 3.344 20 10 CGCDRO CCCCn1cc(C[NH2+]Cc2cc(C)ccc2O)c(C)n1 ZINC000773410011 627881144 /nfs/dbraw/zinc/88/11/44/627881144.db2.gz QYMKLHGDPYLCSN-UHFFFAOYSA-N 1 0 287.407 3.295 20 10 CGCDRO CCN(C)c1ccc(C[N@H+](C)CCOC(C)(C)C)cc1 ZINC000773766327 627914063 /nfs/dbraw/zinc/91/40/63/627914063.db2.gz SAQKAPJFBKOJEA-UHFFFAOYSA-N 1 0 278.440 3.390 20 10 CGCDRO CCN(C)c1ccc(C[N@H+](C)CCc2nccs2)cc1 ZINC000773801100 627916795 /nfs/dbraw/zinc/91/67/95/627916795.db2.gz VBZONSNSIKJLDZ-UHFFFAOYSA-N 1 0 289.448 3.274 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H](OC)CC2)cc1 ZINC000773835445 627918919 /nfs/dbraw/zinc/91/89/19/627918919.db2.gz FGXUYXASCTVOPY-QGZVFWFLSA-N 1 0 276.424 3.144 20 10 CGCDRO CCN(C)c1ccc(C[NH2+][C@H](C)c2ccccn2)cc1 ZINC000773842570 627920359 /nfs/dbraw/zinc/92/03/59/627920359.db2.gz VXKJPCHNLDFXBL-CQSZACIVSA-N 1 0 269.392 3.389 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCCN2C2CC2)c(O)c1 ZINC000774376920 627983312 /nfs/dbraw/zinc/98/33/12/627983312.db2.gz CJLDDDDIEIXPLD-GDBMZVCRSA-N 1 0 288.435 3.368 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H](O)c1c(F)cccc1F)c1ccccc1O ZINC000775137759 628067164 /nfs/dbraw/zinc/06/71/64/628067164.db2.gz YCOVZBITHUZELZ-MEBBXXQBSA-N 1 0 293.313 3.055 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cccc2c1OCCO2)c1ccccc1O ZINC000775414541 628092326 /nfs/dbraw/zinc/09/23/26/628092326.db2.gz HRGLTRUFHYZIBL-OAHLLOKOSA-N 1 0 299.370 3.404 20 10 CGCDRO CC[C@H]([NH2+]C[C@H](C)C[C@H](C)O)c1cc(Cl)ccc1O ZINC000775510273 628102703 /nfs/dbraw/zinc/10/27/03/628102703.db2.gz ZKSKMBZGFUORCB-SUNKGSAMSA-N 1 0 285.815 3.493 20 10 CGCDRO CC[C@@H]([NH2+]CCc1cnccn1)c1cc(Cl)ccc1O ZINC000775531952 628103851 /nfs/dbraw/zinc/10/38/51/628103851.db2.gz PUKJOZURIACQHX-CQSZACIVSA-N 1 0 291.782 3.119 20 10 CGCDRO CC[C@H]([NH2+]CCC[C@@H](C)CO)c1cc(Cl)ccc1O ZINC000775527377 628104225 /nfs/dbraw/zinc/10/42/25/628104225.db2.gz WOOOIYIKSMYDKQ-RISCZKNCSA-N 1 0 285.815 3.495 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCC[C@@H]2c2ccccn2)c1O ZINC000775650422 628119798 /nfs/dbraw/zinc/11/97/98/628119798.db2.gz CGJLDURNMWPZDP-MRXNPFEDSA-N 1 0 268.360 3.433 20 10 CGCDRO Cc1cccc(C[N@@H+]2C[C@@H](C)S[C@@H](C)C2)c1O ZINC000775665165 628122213 /nfs/dbraw/zinc/12/22/13/628122213.db2.gz ZNKBTTCCBSBVNK-TXEJJXNPSA-N 1 0 251.395 3.026 20 10 CGCDRO CO[C@H](C[NH2+]Cc1c(O)cccc1Cl)C(C)(C)C ZINC000776219316 628181577 /nfs/dbraw/zinc/18/15/77/628181577.db2.gz FJQDLFHZTPSPTM-CYBMUJFWSA-N 1 0 271.788 3.196 20 10 CGCDRO C[C@@H](CCO)C1(C[NH2+]Cc2cc(Cl)ccc2O)CCC1 ZINC000776258075 628186254 /nfs/dbraw/zinc/18/62/54/628186254.db2.gz QADSPEKGIWHGKH-LBPRGKRZSA-N 1 0 297.826 3.324 20 10 CGCDRO CC(C)C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)CCO1 ZINC000776948031 628240921 /nfs/dbraw/zinc/24/09/21/628240921.db2.gz BQPMBAMEVOMDJF-DLBZAZTESA-N 1 0 289.419 3.305 20 10 CGCDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000778984614 628380872 /nfs/dbraw/zinc/38/08/72/628380872.db2.gz HFSYEKYFVNHEAG-OAHLLOKOSA-N 1 0 257.308 3.478 20 10 CGCDRO Cc1cccc(F)c1C[NH2+]Cc1cc(F)ccc1O ZINC000779089252 628388264 /nfs/dbraw/zinc/38/82/64/628388264.db2.gz YLENQCCOWXZUAG-UHFFFAOYSA-N 1 0 263.287 3.269 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000779102713 628388695 /nfs/dbraw/zinc/38/86/95/628388695.db2.gz AQDJRKMWACBWGN-KWCYVHTRSA-N 1 0 299.436 3.001 20 10 CGCDRO C[C@H]1C[N@H+](Cc2cc(-c3ccccc3)ccc2O)CC[C@@H]1O ZINC000779199142 628393973 /nfs/dbraw/zinc/39/39/73/628393973.db2.gz UWQDSZXCFDFVDE-KSSFIOAISA-N 1 0 297.398 3.262 20 10 CGCDRO COc1cccc(C[N@@H+]2CC[C@@H](C)C3(CCC3)C2)c1O ZINC000779604139 628417706 /nfs/dbraw/zinc/41/77/06/628417706.db2.gz HZKMWGHCKBCLBJ-CYBMUJFWSA-N 1 0 275.392 3.413 20 10 CGCDRO CCOc1ccc(C[NH2+]CC2CC(C)(C)C2)c(O)c1 ZINC000780588299 628503074 /nfs/dbraw/zinc/50/30/74/628503074.db2.gz AQMJFWZIHRVJRM-UHFFFAOYSA-N 1 0 263.381 3.317 20 10 CGCDRO CO[C@@H](C)C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000782476219 628649268 /nfs/dbraw/zinc/64/92/68/628649268.db2.gz SRUIFCJWTBJVGA-ZDUSSCGKSA-N 1 0 263.381 3.172 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C[C@@]2(O)CCCC(C)(C)C2)cc1 ZINC000782534495 628652777 /nfs/dbraw/zinc/65/27/77/628652777.db2.gz FRNWIPDDTKEJIS-GOSISDBHSA-N 1 0 290.451 3.174 20 10 CGCDRO C[C@H]1CC[C@H]1[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000783220265 628689085 /nfs/dbraw/zinc/68/90/85/628689085.db2.gz BWBYUJMMIISXMJ-XJKSGUPXSA-N 1 0 276.449 3.128 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H]1CCC=CO1)c1ccc(N(C)C)cc1 ZINC000783302098 628701360 /nfs/dbraw/zinc/70/13/60/628701360.db2.gz BKLBZESDNZBMOE-DLBZAZTESA-N 1 0 274.408 3.486 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC=CO2)c(O)c1C ZINC000783312053 628702776 /nfs/dbraw/zinc/70/27/76/628702776.db2.gz ZGMTUKJWKCVRCA-KGLIPLIRSA-N 1 0 261.365 3.352 20 10 CGCDRO CC[C@@H]([NH2+][C@H](C)c1ccccc1O)C1CCOCC1 ZINC000783517982 628720279 /nfs/dbraw/zinc/72/02/79/628720279.db2.gz MCRMHRCLXXQTJC-IUODEOHRSA-N 1 0 263.381 3.248 20 10 CGCDRO COC1CCC(C[NH2+][C@@H](C)c2ccccc2O)CC1 ZINC000783520410 628720740 /nfs/dbraw/zinc/72/07/40/628720740.db2.gz PXEFSRLKZNJNCK-HSBZDZAISA-N 1 0 263.381 3.248 20 10 CGCDRO CC(C)[N@H+](CC[C@H]1CCOC1)Cc1ccc(N(C)C)cc1 ZINC000783525014 628721930 /nfs/dbraw/zinc/72/19/30/628721930.db2.gz ZAKUFOXPDLEOSM-KRWDZBQOSA-N 1 0 290.451 3.390 20 10 CGCDRO C[C@H]1COc2ccccc2C[N@@H+]1Cc1cc(F)ccc1O ZINC000783597164 628730632 /nfs/dbraw/zinc/73/06/32/628730632.db2.gz KAYMWJNAYBYBOD-LBPRGKRZSA-N 1 0 287.334 3.314 20 10 CGCDRO CO[C@H]1C[N@H+](Cc2cc3c(cc2O)CCCC3)CC[C@@H]1C ZINC000783969071 628760792 /nfs/dbraw/zinc/76/07/92/628760792.db2.gz RVHUGVLIFCMBBJ-UGSOOPFHSA-N 1 0 289.419 3.128 20 10 CGCDRO Cc1cc(C)c(O)c(C[NH+]2CCC([C@H]3CCOC3)CC2)c1 ZINC000784007133 628764776 /nfs/dbraw/zinc/76/47/76/628764776.db2.gz MTCPUXSVCYHMNR-INIZCTEOSA-N 1 0 289.419 3.258 20 10 CGCDRO COc1cc(O)c(C[N@H+](C)C[C@@H]2CC=CCC2)cc1OC ZINC000784011586 628765670 /nfs/dbraw/zinc/76/56/70/628765670.db2.gz BPJQKDQPMOVUHT-CYBMUJFWSA-N 1 0 291.391 3.198 20 10 CGCDRO COc1ccc(C[NH2+]C[C@H](O)CCc2ccccc2)cc1C ZINC000784679269 628829215 /nfs/dbraw/zinc/82/92/15/628829215.db2.gz DKAJCIAGAJCCPM-GOSISDBHSA-N 1 0 299.414 3.087 20 10 CGCDRO CC[C@@]1(C)C[N@H+](Cc2cc3c(cc2O)CCCC3)CCO1 ZINC000785511908 628868679 /nfs/dbraw/zinc/86/86/79/628868679.db2.gz MPBQVTRIPZECSD-SFHVURJKSA-N 1 0 289.419 3.272 20 10 CGCDRO CCN(CC)C[C@@H](C)[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000788589390 629066905 /nfs/dbraw/zinc/06/69/05/629066905.db2.gz QTRFNLRLOOELOV-HUUCEWRRSA-N 1 0 278.440 3.390 20 10 CGCDRO CC[C@H]([NH2+]CCC[C@H](C)O)c1cc(Cl)ccc1O ZINC000788604851 629067561 /nfs/dbraw/zinc/06/75/61/629067561.db2.gz MWFDSPIGRYZNSD-GWCFXTLKSA-N 1 0 271.788 3.247 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2CCC[C@]2(CO)CC(C)C)cc1C ZINC000789594196 629149155 /nfs/dbraw/zinc/14/91/55/629149155.db2.gz YYRIKQVUHKHMMU-GOSISDBHSA-N 1 0 291.435 3.382 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1N(C)CCCC1(C)C)c1cc(F)ccc1O ZINC000790497565 629213683 /nfs/dbraw/zinc/21/36/83/629213683.db2.gz NBPRFUCEZJMLAW-BLLLJJGKSA-N 1 0 294.414 3.302 20 10 CGCDRO COc1cccc(C[N@@H+]2CCc3cc(C)ccc3C2)c1O ZINC000792181934 629345792 /nfs/dbraw/zinc/34/57/92/629345792.db2.gz WJZIQMFPIQATIF-UHFFFAOYSA-N 1 0 283.371 3.268 20 10 CGCDRO CC(C)[N@H+](Cc1cc(F)c(N(C)C)cc1F)[C@@H]1CCOC1 ZINC000862372728 629355909 /nfs/dbraw/zinc/35/59/09/629355909.db2.gz RPHSWZOEUHDIOV-CYBMUJFWSA-N 1 0 298.377 3.030 20 10 CGCDRO C[C@@H]1C[NH+](Cc2cc(F)ccc2O)C[C@@H](C)C1(F)F ZINC000862442264 629374074 /nfs/dbraw/zinc/37/40/74/629374074.db2.gz HDPCKYWAGNTGRC-NXEZZACHSA-N 1 0 273.298 3.254 20 10 CGCDRO Cc1ccc(O)c(CNc2cc[nH+]c(C)c2Cl)c1 ZINC000792688529 629375167 /nfs/dbraw/zinc/37/51/67/629375167.db2.gz GZLISDCXCSAMRJ-UHFFFAOYSA-N 1 0 262.740 3.091 20 10 CGCDRO Cc1cccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)c1O ZINC000793230597 629433308 /nfs/dbraw/zinc/43/33/08/629433308.db2.gz GWKOFLHYQZRHTI-JQWIXIFHSA-N 1 0 273.298 3.473 20 10 CGCDRO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccccc1O ZINC000793232609 629433521 /nfs/dbraw/zinc/43/35/21/629433521.db2.gz ZKWOMNIINIZXDQ-ONGXEEELSA-N 1 0 259.271 3.165 20 10 CGCDRO COc1ccc(C[NH2+]Cc2cc(F)c(F)cc2F)c(O)c1 ZINC000793386391 629452787 /nfs/dbraw/zinc/45/27/87/629452787.db2.gz OSMMDDGNMLUTND-UHFFFAOYSA-N 1 0 297.276 3.108 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](C)CCC(F)(F)F)c(O)c1 ZINC000793389102 629453029 /nfs/dbraw/zinc/45/30/29/629453029.db2.gz VSSOHOAXIPCSIF-VIFPVBQESA-N 1 0 277.286 3.221 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2CS[C@H](C(C)(C)C)C2)c(O)c1 ZINC000793389649 629453671 /nfs/dbraw/zinc/45/36/71/629453671.db2.gz LKMLWKVNSFEBDI-DOMZBBRYSA-N 1 0 295.448 3.411 20 10 CGCDRO C[C@@H]([NH2+]CCc1ccc2c[nH]nc2c1)c1cc(F)ccc1O ZINC000793567848 629484686 /nfs/dbraw/zinc/48/46/86/629484686.db2.gz KAAZIWQDAIVQNS-LLVKDONJSA-N 1 0 299.349 3.301 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@H](CSC)C2)c1O ZINC000793796413 629501941 /nfs/dbraw/zinc/50/19/41/629501941.db2.gz LFNPNEIOSLTKHL-ZDUSSCGKSA-N 1 0 295.448 3.284 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)C(=O)NC(C)(C)C)c1ccc(C)cc1O ZINC000794803295 629578833 /nfs/dbraw/zinc/57/88/33/629578833.db2.gz IAKLIWYOPIXEHN-JSGCOSHPSA-N 1 0 292.423 3.045 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H]1CCC=CO1)c1ccc(C)cc1O ZINC000794817723 629581687 /nfs/dbraw/zinc/58/16/87/629581687.db2.gz VGCLKNFLRLNTJH-UKRRQHHQSA-N 1 0 261.365 3.434 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)N[C@@H]2CC[C@H](C)[NH2+]C2)c1O ZINC000863548289 629603464 /nfs/dbraw/zinc/60/34/64/629603464.db2.gz WVSWOXVSZOIVBK-GMXVVIOVSA-N 1 0 282.815 3.145 20 10 CGCDRO Cc1cc(CC[NH2+]CC2(C)COC2)c(C)n1-c1ccccc1 ZINC000796255579 629757327 /nfs/dbraw/zinc/75/73/27/629757327.db2.gz FOUYUYVJEQJLMN-UHFFFAOYSA-N 1 0 298.430 3.263 20 10 CGCDRO CCc1ccc([C@H](O)C[NH2+]Cc2ccc(N(C)C)cc2)cc1 ZINC000796452342 629782727 /nfs/dbraw/zinc/78/27/27/629782727.db2.gz UTASVXMSLWHGJS-LJQANCHMSA-N 1 0 298.430 3.138 20 10 CGCDRO CCc1ccc([C@H](O)C[NH2+]Cc2ccc(OC)c(C)c2)cc1 ZINC000796452840 629783055 /nfs/dbraw/zinc/78/30/55/629783055.db2.gz YQCXMSAIDDMXAJ-GOSISDBHSA-N 1 0 299.414 3.389 20 10 CGCDRO CC(C)CC[C@@H](O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000796457522 629784048 /nfs/dbraw/zinc/78/40/48/629784048.db2.gz XAKPGUMGLGQPSI-RHSMWYFYSA-N 1 0 278.440 3.200 20 10 CGCDRO CCOc1ccc(C[N@H+]2CC(C)=C[C@H](C)C2)c(O)c1 ZINC000797604696 629970399 /nfs/dbraw/zinc/97/03/99/629970399.db2.gz HSJMITFDRRFDEC-LBPRGKRZSA-N 1 0 261.365 3.189 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)c(F)c1 ZINC000865440210 630125686 /nfs/dbraw/zinc/12/56/86/630125686.db2.gz DYPSXKGRWHNMAQ-UHFFFAOYSA-N 1 0 271.335 3.359 20 10 CGCDRO CSCCC[N@H+](C)Cc1cc(C)cc(C)c1O ZINC000799159161 630151085 /nfs/dbraw/zinc/15/10/85/630151085.db2.gz DKPGLHKFELAGGN-UHFFFAOYSA-N 1 0 253.411 3.194 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000800890640 630309189 /nfs/dbraw/zinc/30/91/89/630309189.db2.gz MJMBNWLLWUTIBM-BIMULSAOSA-N 1 0 251.757 3.324 20 10 CGCDRO Cc1cccc(C[NH2+]CCC2C[C@@H](C)O[C@H](C)C2)c1O ZINC000802659474 630403985 /nfs/dbraw/zinc/40/39/85/630403985.db2.gz HDSIUGBLRGDCIJ-ZIAGYGMSSA-N 1 0 277.408 3.384 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2cccc3c2CCOC3)c1 ZINC000865725055 630476051 /nfs/dbraw/zinc/47/60/51/630476051.db2.gz BOOAHBYTCDSIRK-UHFFFAOYSA-N 1 0 283.371 3.063 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000806141973 630548148 /nfs/dbraw/zinc/54/81/48/630548148.db2.gz XMGHXUSYVSNTML-SJORKVTESA-N 1 0 258.409 3.339 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](C)CN(C)C)c1cc(Cl)ccc1O ZINC000806170455 630553110 /nfs/dbraw/zinc/55/31/10/630553110.db2.gz UEIJTRSMNSCLMC-GXFFZTMASA-N 1 0 270.804 3.036 20 10 CGCDRO CC(C)[C@H](CO)C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000808421968 630642906 /nfs/dbraw/zinc/64/29/06/630642906.db2.gz VNIJGPSVGMMBJG-SFHVURJKSA-N 1 0 299.414 3.413 20 10 CGCDRO CCOc1ccc(C[NH2+]C[C@@H]2CCCSC2)c(O)c1 ZINC000808431326 630643961 /nfs/dbraw/zinc/64/39/61/630643961.db2.gz QRZCVEOIPOFBGL-LBPRGKRZSA-N 1 0 281.421 3.024 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](O)c2ccco2)c1O ZINC000808674781 630662903 /nfs/dbraw/zinc/66/29/03/630662903.db2.gz YEPOXWHRCQFHAK-MFKMUULPSA-N 1 0 295.766 3.331 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C2CCOCC2)c1O ZINC000808677814 630662926 /nfs/dbraw/zinc/66/29/26/630662926.db2.gz DTCYMCHCGXIVFR-SNVBAGLBSA-N 1 0 269.772 3.184 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCN2CCCCC2)c1O ZINC000808674130 630663327 /nfs/dbraw/zinc/66/33/27/630663327.db2.gz APGFLDFEBZHORG-CYBMUJFWSA-N 1 0 296.842 3.491 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](C2CC2)N(C)C)c1O ZINC000808678435 630663557 /nfs/dbraw/zinc/66/35/57/630663557.db2.gz REOFWNDFYLXGOL-NHYWBVRUSA-N 1 0 296.842 3.345 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H]2CCOC2)c1O ZINC000808679955 630663969 /nfs/dbraw/zinc/66/39/69/630663969.db2.gz FYLOPAPKDQSCJP-GHMZBOCLSA-N 1 0 269.772 3.041 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CCN(C3CC3)C2)c1O ZINC000808691326 630665209 /nfs/dbraw/zinc/66/52/09/630665209.db2.gz JAXUUMOUUJDLHP-DGCLKSJQSA-N 1 0 294.826 3.241 20 10 CGCDRO CCc1cc(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)[nH]n1 ZINC000808694617 630665945 /nfs/dbraw/zinc/66/59/45/630665945.db2.gz AUKDVEUTQGDCGP-SNVBAGLBSA-N 1 0 293.798 3.490 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCC2(C)OCCO2)c1O ZINC000808713661 630669288 /nfs/dbraw/zinc/66/92/88/630669288.db2.gz JJIDZJZZEJXGHR-LLVKDONJSA-N 1 0 299.798 3.158 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)C[C@H](C)O)c1O ZINC000808713762 630669885 /nfs/dbraw/zinc/66/98/85/630669885.db2.gz PIUDJMIHMHRTIT-VWYCJHECSA-N 1 0 271.788 3.164 20 10 CGCDRO CCC[N@H+](Cc1oc(C)nc1C)Cc1ccccc1O ZINC000809950739 630819648 /nfs/dbraw/zinc/81/96/48/630819648.db2.gz NNMCILHYBNSYEF-UHFFFAOYSA-N 1 0 274.364 3.409 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C[C@H]2CC(C)=C[C@@H](C)C2)c1 ZINC000810145016 630845571 /nfs/dbraw/zinc/84/55/71/630845571.db2.gz OTPVKVLQVUSLCB-TZMCWYRMSA-N 1 0 275.392 3.483 20 10 CGCDRO CCCCN(C)C[C@@H](C)[NH2+]Cc1ccc(OCC)cc1O ZINC000810163378 630848508 /nfs/dbraw/zinc/84/85/08/630848508.db2.gz RUKBRGRGHYIKJB-CQSZACIVSA-N 1 0 294.439 3.001 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H]2COc3c(C)cccc3C2)c1 ZINC000810177951 630850682 /nfs/dbraw/zinc/85/06/82/630850682.db2.gz FFSCISXJGZWRCL-MRXNPFEDSA-N 1 0 283.371 3.102 20 10 CGCDRO CCC[N@H+](CC)C[C@H](C)NCc1ccc(N(C)C)c(F)c1 ZINC000810180649 630851076 /nfs/dbraw/zinc/85/10/76/630851076.db2.gz FOXYFMLHVQVGKA-AWEZNQCLSA-N 1 0 295.446 3.102 20 10 CGCDRO CC(C)N(C)C[C@@H](C)[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000810253684 630860451 /nfs/dbraw/zinc/86/04/51/630860451.db2.gz AFQIQOPFFVJMHE-BZPMIXESSA-N 1 0 294.414 3.398 20 10 CGCDRO COCC1(CC[NH2+][C@H](C)c2c(C)cc(C)cc2O)CC1 ZINC000842891583 635505183 /nfs/dbraw/zinc/50/51/83/635505183.db2.gz XQNSCSRGSMEGOA-CQSZACIVSA-N 1 0 277.408 3.476 20 10 CGCDRO Oc1cc2c(cc1CNc1cc3c(c[nH+]1)CCCC3)OCO2 ZINC000812781819 631307123 /nfs/dbraw/zinc/30/71/23/631307123.db2.gz HFLDFEHAXWYHSE-UHFFFAOYSA-N 1 0 298.342 3.007 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCn3cccc3[C@@H]2C)c(O)c1 ZINC000876531519 634852258 /nfs/dbraw/zinc/85/22/58/634852258.db2.gz IIUYWGQQDZLNSI-ZDUSSCGKSA-N 1 0 256.349 3.079 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCSCC3)cc2)[C@H]1C ZINC000813856041 631472187 /nfs/dbraw/zinc/47/21/87/631472187.db2.gz XKNGIMGWVUZXMZ-JKIFEVAISA-N 1 0 290.476 3.374 20 10 CGCDRO Cc1nnsc1C[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000813885499 631476814 /nfs/dbraw/zinc/47/68/14/631476814.db2.gz ULSZHZVVMJOZTL-MRVPVSSYSA-N 1 0 297.811 3.365 20 10 CGCDRO CC(C)[C@@H]([NH2+]Cc1cc(Cl)ccc1O)C1(CO)CCC1 ZINC000814169634 631537180 /nfs/dbraw/zinc/53/71/80/631537180.db2.gz LEQQOWAGURIJNI-OAHLLOKOSA-N 1 0 297.826 3.322 20 10 CGCDRO CC[C@@H]1C[N@H+](Cc2ccc(N(C)C)c(C)c2)C[C@H](C)O1 ZINC000815046790 631706177 /nfs/dbraw/zinc/70/61/77/631706177.db2.gz FXOKVVYMPJDCHT-GOEBONIOSA-N 1 0 276.424 3.060 20 10 CGCDRO CCCC[N@H+](CCOC)Cc1ccc(N(C)C)c(C)c1 ZINC000815046037 631706250 /nfs/dbraw/zinc/70/62/50/631706250.db2.gz GQVHOVYXVGLSSD-UHFFFAOYSA-N 1 0 278.440 3.310 20 10 CGCDRO Cc1cc(C[N@H+]2CCCC[C@H]2C[C@@H](C)O)ccc1N(C)C ZINC000815103412 631718259 /nfs/dbraw/zinc/71/82/59/631718259.db2.gz PXGONUWHFJPSFV-WBVHZDCISA-N 1 0 290.451 3.186 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCCCC[C@H]2CCO)cc1 ZINC000815113507 631720318 /nfs/dbraw/zinc/72/03/18/631720318.db2.gz DFQVLULNDXERDL-SFHVURJKSA-N 1 0 290.451 3.270 20 10 CGCDRO CCOc1ccc(C[NH2+]CCC2(COC)CCC2)c(O)c1 ZINC000815148263 631730653 /nfs/dbraw/zinc/73/06/53/631730653.db2.gz QFZQROHSQKNORO-UHFFFAOYSA-N 1 0 293.407 3.087 20 10 CGCDRO COc1ccc(C[NH2+]C[C@@H](CO)C2CCCCC2)cc1C ZINC000815151112 631731578 /nfs/dbraw/zinc/73/15/78/631731578.db2.gz UOCQZLAFTBKZIP-KRWDZBQOSA-N 1 0 291.435 3.282 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H](CO)C2CCCCC2)cc1C ZINC000815151065 631731657 /nfs/dbraw/zinc/73/16/57/631731657.db2.gz UBOUBJPXNPHVLG-KRWDZBQOSA-N 1 0 291.435 3.287 20 10 CGCDRO CC[C@H]([NH2+]C[C@H](OC)C1CC1)c1ccc(C)cc1O ZINC000815651520 631814244 /nfs/dbraw/zinc/81/42/44/631814244.db2.gz VTAAPWGGCBJMEE-HOCLYGCPSA-N 1 0 263.381 3.166 20 10 CGCDRO C[C@H]1COCCC[N@@H+]1Cc1ccc2ccccc2c1O ZINC000816514046 631999754 /nfs/dbraw/zinc/99/97/54/631999754.db2.gz KQJFQDLTYMZTDM-ZDUSSCGKSA-N 1 0 271.360 3.156 20 10 CGCDRO CC[C@H](O)CCC[NH2+]Cc1ccc2ccccc2c1O ZINC000816552319 632009956 /nfs/dbraw/zinc/00/99/56/632009956.db2.gz IPXSQVDZHODDFN-HNNXBMFYSA-N 1 0 273.376 3.186 20 10 CGCDRO CO[C@H](C[NH2+]Cc1ccc2ccccc2c1O)C(C)C ZINC000816553675 632010051 /nfs/dbraw/zinc/01/00/51/632010051.db2.gz DDANUXHWSHMGCQ-MRXNPFEDSA-N 1 0 273.376 3.306 20 10 CGCDRO Cc1cc(C[NH2+]Cc2cccc(C)c2O)cc(C)n1 ZINC000817411194 632142504 /nfs/dbraw/zinc/14/25/04/632142504.db2.gz OUSVXPHRXHHBSJ-UHFFFAOYSA-N 1 0 256.349 3.002 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+]CCCC2(O)CCC2)cc1 ZINC000817414973 632145049 /nfs/dbraw/zinc/14/50/49/632145049.db2.gz PRVKTUIJWJJCBZ-ZZXKWVIFSA-N 1 0 288.435 3.051 20 10 CGCDRO CN(C)c1ccc([C@@H]([NH3+])CN[C@H]2CCCc3occc32)cc1 ZINC000817942240 632241113 /nfs/dbraw/zinc/24/11/13/632241113.db2.gz NEFMXYLMCZIPLU-IRXDYDNUSA-N 1 0 299.418 3.013 20 10 CGCDRO CN(C)c1ccc([C@@H](N)C[NH2+][C@H]2CCCC23CCC3)cc1 ZINC000817941947 632241166 /nfs/dbraw/zinc/24/11/66/632241166.db2.gz LXDMQJFTALSBSK-IRXDYDNUSA-N 1 0 287.451 3.065 20 10 CGCDRO C[C@@H](CC(C)(C)C)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000817944346 632241939 /nfs/dbraw/zinc/24/19/39/632241939.db2.gz ZNKRETLNRKZPRW-XJKSGUPXSA-N 1 0 277.456 3.167 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](N)c2ccccc2)c(O)c1C ZINC000817955194 632250146 /nfs/dbraw/zinc/25/01/46/632250146.db2.gz SAYFMVMTNNETNB-RHSMWYFYSA-N 1 0 284.403 3.360 20 10 CGCDRO COc1cccc2c1CC[C@H]2[NH2+]CCc1ccc(N)cc1 ZINC000817956347 632251067 /nfs/dbraw/zinc/25/10/67/632251067.db2.gz WWVVOWJKTHPBGW-QGZVFWFLSA-N 1 0 282.387 3.097 20 10 CGCDRO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CCc1ccc(N)cc1 ZINC000817955852 632251235 /nfs/dbraw/zinc/25/12/35/632251235.db2.gz JHDKVHAMEUVZKU-FZKQIMNGSA-N 1 0 266.388 3.334 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](CN)CC(C)C)c1O ZINC000817958917 632254829 /nfs/dbraw/zinc/25/48/29/632254829.db2.gz MSMMQPAKDXRJON-DGCLKSJQSA-N 1 0 284.831 3.378 20 10 CGCDRO CCCC[C@@H](CN)[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000817961652 632257279 /nfs/dbraw/zinc/25/72/79/632257279.db2.gz BVHDCIJFYXURSD-KBPBESRZSA-N 1 0 264.413 3.177 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](CN)C2CCCC2)c(O)c1C ZINC000817982007 632271095 /nfs/dbraw/zinc/27/10/95/632271095.db2.gz PCURCUILXSOYOX-CJNGLKHVSA-N 1 0 276.424 3.177 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1)C1CC1 ZINC000818345262 632311731 /nfs/dbraw/zinc/31/17/31/632311731.db2.gz SPCJZWHTYPEIRK-KBXCAEBGSA-N 1 0 288.435 3.300 20 10 CGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)C[C@](C)(OC)C1CC1 ZINC000820851846 632687962 /nfs/dbraw/zinc/68/79/62/632687962.db2.gz TVIHLQGEHSWVFL-SFHVURJKSA-N 1 0 290.451 3.390 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2c3ccccc3CN2C)cc1 ZINC000865806594 632895816 /nfs/dbraw/zinc/89/58/16/632895816.db2.gz LGJJGPWWPRNEAJ-LJQANCHMSA-N 1 0 295.430 3.029 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C[C@H]2c3ccccc3CN2C)cc1 ZINC000865806593 632896026 /nfs/dbraw/zinc/89/60/26/632896026.db2.gz LGJJGPWWPRNEAJ-IBGZPJMESA-N 1 0 295.430 3.029 20 10 CGCDRO C[N@H+](CCC(C)(C)C)Cc1ccc(N2CCOCC2)cc1 ZINC000120857788 632974952 /nfs/dbraw/zinc/97/49/52/632974952.db2.gz CYSWVRDPKKEAGD-UHFFFAOYSA-N 1 0 290.451 3.391 20 10 CGCDRO CN(C)c1ccc(C[NH+]2CCC3(CC3(F)F)CC2)cc1 ZINC000844411301 635893984 /nfs/dbraw/zinc/89/39/84/635893984.db2.gz XUFWMCMCJUDBDL-UHFFFAOYSA-N 1 0 280.362 3.374 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccnc(F)c2)c(O)c1C ZINC000866472619 633147981 /nfs/dbraw/zinc/14/79/81/633147981.db2.gz BZDRAYTYVBDHKV-LBPRGKRZSA-N 1 0 274.339 3.394 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1CCC12CCOCC2)c1cc(F)ccc1O ZINC000866529870 633174128 /nfs/dbraw/zinc/17/41/28/633174128.db2.gz SYTHTLCSUHMSON-QWHCGFSZSA-N 1 0 293.382 3.389 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1ccnn1C)c1cc(Cl)ccc1O ZINC000866616129 633215837 /nfs/dbraw/zinc/21/58/37/633215837.db2.gz YRUOERBEPAIKNP-ZJUUUORDSA-N 1 0 279.771 3.191 20 10 CGCDRO C[C@@H](C1CC1)[N@H+](C)Cc1ccc(Br)cc1O ZINC000824567712 633259643 /nfs/dbraw/zinc/25/96/43/633259643.db2.gz UQZOWZJIFOFCDX-VIFPVBQESA-N 1 0 284.197 3.385 20 10 CGCDRO Cc1cc(O)c(C[N@@H+](C)[C@@H]2CCSC2)cc1Cl ZINC000824556398 633259738 /nfs/dbraw/zinc/25/97/38/633259738.db2.gz RGVKLLQIAIBVBU-LLVKDONJSA-N 1 0 271.813 3.291 20 10 CGCDRO COCc1csc(C[N@H+](C)Cc2ccccc2O)c1 ZINC000824593628 633261640 /nfs/dbraw/zinc/26/16/40/633261640.db2.gz RHMALGNPRVSELZ-UHFFFAOYSA-N 1 0 277.389 3.232 20 10 CGCDRO CC[C@@H](C)[C@@H](C[NH2+]Cc1cc(C)c(C)cc1O)OC ZINC000824596234 633263405 /nfs/dbraw/zinc/26/34/05/633263405.db2.gz HIHISUBPQWVGOP-BDJLRTHQSA-N 1 0 265.397 3.160 20 10 CGCDRO CC(C)[C@@H]1C[C@H](C[NH2+]Cc2cc(F)ccc2O)CCO1 ZINC000824798258 633293142 /nfs/dbraw/zinc/29/31/42/633293142.db2.gz AOOZQSABEKCVTI-WBMJQRKESA-N 1 0 281.371 3.072 20 10 CGCDRO CC1=CC[N@H+](Cc2ccc(Br)cc2O)CC1 ZINC000824829665 633296216 /nfs/dbraw/zinc/29/62/16/633296216.db2.gz KAVHRABZXCDJQX-UHFFFAOYSA-N 1 0 282.181 3.307 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CCSC[C@H]2C2CC2)c1O ZINC000824914363 633305167 /nfs/dbraw/zinc/30/51/67/633305167.db2.gz QWHSGEWTQJHDHW-AWEZNQCLSA-N 1 0 293.432 3.118 20 10 CGCDRO CCn1ccnc1[C@@H](C)[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000825005261 633316799 /nfs/dbraw/zinc/31/67/99/633316799.db2.gz FYFBHRCWUDEBBJ-LLVKDONJSA-N 1 0 293.798 3.421 20 10 CGCDRO CCc1ncc(C[NH2+]Cc2ccc(N(CC)CC)cc2)o1 ZINC000825079251 633325925 /nfs/dbraw/zinc/32/59/25/633325925.db2.gz PEUMUGMJLVBXKS-UHFFFAOYSA-N 1 0 287.407 3.373 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCOCC23CCCCC3)c1 ZINC000825098823 633328431 /nfs/dbraw/zinc/32/84/31/633328431.db2.gz OSWUAQHEXOFCSF-UHFFFAOYSA-N 1 0 275.392 3.236 20 10 CGCDRO CO[C@H]1C[C@H]([N@H+](C)Cc2cc(C)ccc2O)C12CCC2 ZINC000825104324 633328852 /nfs/dbraw/zinc/32/88/52/633328852.db2.gz UFEKXRXPXBIUDG-HOTGVXAUSA-N 1 0 275.392 3.090 20 10 CGCDRO CC(C)(C[NH2+]Cc1cc(Cl)ccc1O)C1(O)CCCC1 ZINC000825232101 633338002 /nfs/dbraw/zinc/33/80/02/633338002.db2.gz PUVLMNNBNQDHTG-UHFFFAOYSA-N 1 0 297.826 3.467 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CC(C)(C)C2(O)CCCC2)cc1 ZINC000825231781 633338189 /nfs/dbraw/zinc/33/81/89/633338189.db2.gz HWKRDDJYFWJHEJ-UHFFFAOYSA-N 1 0 290.451 3.174 20 10 CGCDRO CC[C@@H](C)[C@](C)(O)C[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825267442 633341001 /nfs/dbraw/zinc/34/10/01/633341001.db2.gz STICWFVMOHMSIC-IAQYHMDHSA-N 1 0 285.815 3.241 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](CCCO)C2)cc1 ZINC000825338857 633346875 /nfs/dbraw/zinc/34/68/75/633346875.db2.gz VWYKAUBBVYDHOC-INIZCTEOSA-N 1 0 290.451 3.127 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H]2C[C@@H](C)N(C3CC3)C2)cc1Cl ZINC000825354746 633348730 /nfs/dbraw/zinc/34/87/30/633348730.db2.gz YUTUYHJIHCMULX-YPMHNXCESA-N 1 0 294.826 3.069 20 10 CGCDRO CO[C@@H]1CCC[C@H]1C[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825406666 633352901 /nfs/dbraw/zinc/35/29/01/633352901.db2.gz WQRIOCHAFALSRV-XHDPSFHLSA-N 1 0 283.799 3.259 20 10 CGCDRO Cc1cc(C[NH2+]Cc2cc(Cl)c(C)cc2O)ccn1 ZINC000826036360 633399591 /nfs/dbraw/zinc/39/95/91/633399591.db2.gz HCCLVLKDDGQZOV-UHFFFAOYSA-N 1 0 276.767 3.347 20 10 CGCDRO CC[C@H]([NH2+]Cc1cc(Cl)c(C)cc1O)[C@@H](O)C(C)C ZINC000826121236 633406218 /nfs/dbraw/zinc/40/62/18/633406218.db2.gz NXBILHISRXSGFA-ZFWWWQNUSA-N 1 0 285.815 3.239 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CS[C@@H](C)C2)cc1Cl ZINC000826120274 633406289 /nfs/dbraw/zinc/40/62/89/633406289.db2.gz ARGLVNQWFSDIBB-ONGXEEELSA-N 1 0 271.813 3.338 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2C[C@]3(C)COC[C@]3(C)C2)cc1Cl ZINC000827017806 633448914 /nfs/dbraw/zinc/44/89/14/633448914.db2.gz LPBUKIWAYTYBMH-IYBDPMFKSA-N 1 0 295.810 3.212 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1C[C@H](O)c2ccccc21 ZINC000827172354 633467709 /nfs/dbraw/zinc/46/77/09/633467709.db2.gz RIUAJKJLFUZWFI-MOPGFXCFSA-N 1 0 296.414 3.329 20 10 CGCDRO CN(C)c1ccc(/C=C/C[N@H+](C)CC2=CCCOC2)cc1 ZINC000827190149 633469446 /nfs/dbraw/zinc/46/94/46/633469446.db2.gz REXOFEHNHFHGJU-GQCTYLIASA-N 1 0 286.419 3.044 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H]3COC[C@]3(C)C2)cc1 ZINC000827281023 633478234 /nfs/dbraw/zinc/47/82/34/633478234.db2.gz HVOOUMKCEGOQKM-WMZOPIPTSA-N 1 0 288.435 3.001 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)c1O ZINC000827376884 633486733 /nfs/dbraw/zinc/48/67/33/633486733.db2.gz KIWCTNVVTPXPID-WBVHZDCISA-N 1 0 289.419 3.482 20 10 CGCDRO C[N@H+](Cc1cc(-c2ccccc2)ccc1O)C1(CO)CC1 ZINC000827903637 633531886 /nfs/dbraw/zinc/53/18/86/633531886.db2.gz MNHGQQCKTQPPPQ-UHFFFAOYSA-N 1 0 283.371 3.016 20 10 CGCDRO CCC[N@H+](CCC[C@@H]1CCOC1)Cc1ccccc1O ZINC000827959252 633540798 /nfs/dbraw/zinc/54/07/98/633540798.db2.gz OWMZMQCNCSOMOJ-OAHLLOKOSA-N 1 0 277.408 3.421 20 10 CGCDRO C[C@@H]([NH2+]CC1=CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000828148455 633574624 /nfs/dbraw/zinc/57/46/24/633574624.db2.gz WVYAGMGPYJDNCL-OAHLLOKOSA-N 1 0 286.419 3.284 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)c(C)c1)[C@@H]1CCCOC1 ZINC000872046517 633969390 /nfs/dbraw/zinc/96/93/90/633969390.db2.gz XXJGLVRMRAVZGX-IAGOWNOFSA-N 1 0 290.451 3.356 20 10 CGCDRO CCC[C@H](C)[C@H](CO)[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000846184120 636154620 /nfs/dbraw/zinc/15/46/20/636154620.db2.gz NCSMNZZPLKYQNB-IMIFBBOLSA-N 1 0 295.398 3.466 20 10 CGCDRO COc1nc(C)cc(C)c1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834558214 634182607 /nfs/dbraw/zinc/18/26/07/634182607.db2.gz CDJXMZNCWBZFFF-OAHLLOKOSA-N 1 0 298.386 3.190 20 10 CGCDRO Cc1nc(C)c(CC[NH2+][C@@H]2CCc3cccc(O)c32)s1 ZINC000834575593 634187535 /nfs/dbraw/zinc/18/75/35/634187535.db2.gz LXDAACFYGQKKJL-CYBMUJFWSA-N 1 0 288.416 3.285 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@H](C)[C@H]2CCOC2)cc1C ZINC000873061441 634239962 /nfs/dbraw/zinc/23/99/62/634239962.db2.gz JTIBCFLCJFABMA-ZBFHGGJFSA-N 1 0 277.408 3.298 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1CCn2ccnc21)c1ccc(C)cc1O ZINC000834830609 634250608 /nfs/dbraw/zinc/25/06/08/634250608.db2.gz FPAHIVSKFIPFIJ-ZIAGYGMSSA-N 1 0 271.364 3.083 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CC[C@@H](C)CCO)c1O ZINC000834832561 634251675 /nfs/dbraw/zinc/25/16/75/634251675.db2.gz QAYGXFMLZSGKFZ-ZYHUDNBSSA-N 1 0 285.815 3.413 20 10 CGCDRO CCC[C@@H](C[NH2+][C@@H](C)c1ccc(C)c(C)c1O)OC ZINC000834839768 634254038 /nfs/dbraw/zinc/25/40/38/634254038.db2.gz CUJJQSTXKLZSJO-KBPBESRZSA-N 1 0 265.397 3.475 20 10 CGCDRO C[C@@H]([NH2+]CC1=CCOCC1)c1cc(Cl)ccc1O ZINC000834859868 634258270 /nfs/dbraw/zinc/25/82/70/634258270.db2.gz KYZCMTQEVCMCEK-SNVBAGLBSA-N 1 0 267.756 3.043 20 10 CGCDRO C[C@H](CC(C)(C)O)[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000834877033 634262087 /nfs/dbraw/zinc/26/20/87/634262087.db2.gz RURYDNLWQCLBLU-CKYFFXLPSA-N 1 0 281.371 3.219 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)Cc1cnn(C)c1)c1ccc(C)cc1O ZINC000834898077 634274057 /nfs/dbraw/zinc/27/40/57/634274057.db2.gz YUKFQNPXJBWPAQ-BBRMVZONSA-N 1 0 287.407 3.106 20 10 CGCDRO CCCc1ncc(C[NH2+][C@H]2CCc3cccc(O)c32)o1 ZINC000834899254 634275379 /nfs/dbraw/zinc/27/53/79/634275379.db2.gz JUNVDEXAIRWVAD-ZDUSSCGKSA-N 1 0 272.348 3.110 20 10 CGCDRO CC[C@@H]([NH2+]CC1(CC)COC1)c1ccc(N(C)C)cc1 ZINC000834900009 634276243 /nfs/dbraw/zinc/27/62/43/634276243.db2.gz MLWHNKGXHXJULW-MRXNPFEDSA-N 1 0 276.424 3.220 20 10 CGCDRO CCc1ncc(C[NH2+][C@@H](C)c2cc(Cl)ccc2O)o1 ZINC000834900161 634276879 /nfs/dbraw/zinc/27/68/79/634276879.db2.gz NGPPBMACGMKTNW-VIFPVBQESA-N 1 0 280.755 3.447 20 10 CGCDRO COCC1(C[NH2+][C@@H](C)c2cc(F)ccc2O)CCCC1 ZINC000834906708 634282393 /nfs/dbraw/zinc/28/23/93/634282393.db2.gz SNYVXQKQKIZAGU-LBPRGKRZSA-N 1 0 281.371 3.389 20 10 CGCDRO C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1cc(F)cc(F)c1[O-] ZINC000834907723 634283162 /nfs/dbraw/zinc/28/31/62/634283162.db2.gz AUHAFHXCIASSKS-NSHDSACASA-N 1 0 298.377 3.195 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCN2CCCC2(C)C)c(O)c1 ZINC000834908849 634284701 /nfs/dbraw/zinc/28/47/01/634284701.db2.gz HZMGNHWAXHZFPJ-CQSZACIVSA-N 1 0 276.424 3.226 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+]Cc2ccoc2)cc1 ZINC000835035216 634327510 /nfs/dbraw/zinc/32/75/10/634327510.db2.gz IFWHNHIMICQMPW-ARJAWSKDSA-N 1 0 256.349 3.149 20 10 CGCDRO CC[C@H](C[C@H](C)CO)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835039886 634329630 /nfs/dbraw/zinc/32/96/30/634329630.db2.gz LXOAIBMIJSKANY-RWGIFROESA-N 1 0 290.451 3.153 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@@H](O)CC(C)(C)C)cc1 ZINC000835040919 634329752 /nfs/dbraw/zinc/32/97/52/634329752.db2.gz WHCYJFQKTQTHQU-LXXRFIIISA-N 1 0 290.451 3.153 20 10 CGCDRO COCCC(C)(C)C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835048404 634334591 /nfs/dbraw/zinc/33/45/91/634334591.db2.gz RCQGNJHSTBWAAE-VOTSOKGWSA-N 1 0 290.451 3.418 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@H]2CCSC2)cc1 ZINC000835051791 634336831 /nfs/dbraw/zinc/33/68/31/634336831.db2.gz JPEZRMWSCKVAMY-ABCZVMIZSA-N 1 0 276.449 3.109 20 10 CGCDRO C[C@@H]1CSC[C@H]1[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835054372 634338361 /nfs/dbraw/zinc/33/83/61/634338361.db2.gz UXYPQHCTAVSGGY-LVQRLBQTSA-N 1 0 276.449 3.107 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]C/C=C\c2ccc(N(C)C)cc2)c2nccn21 ZINC000835055084 634339556 /nfs/dbraw/zinc/33/95/56/634339556.db2.gz QNJXJVOJFCMIQG-AYUWKEHRSA-N 1 0 296.418 3.258 20 10 CGCDRO Cc1ccc(C[C@H](CO)[NH2+]Cc2cccc(C)c2O)cc1C ZINC000835075247 634345211 /nfs/dbraw/zinc/34/52/11/634345211.db2.gz WDVYCKMVHLJCKL-GOSISDBHSA-N 1 0 299.414 3.011 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+]C[C@H]2CC[C@H](C)O2)c1O ZINC000835089244 634351362 /nfs/dbraw/zinc/35/13/62/634351362.db2.gz YLERDQBXNDCYEP-GXFFZTMASA-N 1 0 269.772 3.011 20 10 CGCDRO Cc1cccc(O)c1C[NH+]1CCC(OC(C)(C)C)CC1 ZINC000876636236 634871860 /nfs/dbraw/zinc/87/18/60/634871860.db2.gz UCPAMKADQHYWIA-UHFFFAOYSA-N 1 0 277.408 3.480 20 10 CGCDRO Cc1ccc(C[NH+]2C[C@@H](C)S[C@H](C)C2)c(O)c1 ZINC000876642731 634874732 /nfs/dbraw/zinc/87/47/32/634874732.db2.gz KRWIGFANJDKGKV-VXGBXAGGSA-N 1 0 251.395 3.026 20 10 CGCDRO CC[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)C1CCC1 ZINC000876755999 634893015 /nfs/dbraw/zinc/89/30/15/634893015.db2.gz OTRIKVQWDOCJOS-UHFFFAOYSA-N 1 0 288.435 3.022 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]CCOC1CCCCC1 ZINC000876986025 634943501 /nfs/dbraw/zinc/94/35/01/634943501.db2.gz WOHNAMODEQHNBH-UHFFFAOYSA-N 1 0 263.381 3.140 20 10 CGCDRO CCC[NH+](CCC)CCCC(=O)N(C)c1ccc(N)cc1 ZINC000877077801 634975932 /nfs/dbraw/zinc/97/59/32/634975932.db2.gz UWZSDKLYIVNYSP-UHFFFAOYSA-N 1 0 291.439 3.134 20 10 CGCDRO COc1ccc(C[NH2+]Cc2ccc(C)cc2O)c(F)c1 ZINC000877083798 634978724 /nfs/dbraw/zinc/97/87/24/634978724.db2.gz FJDHUQWGJOUUGA-UHFFFAOYSA-N 1 0 275.323 3.138 20 10 CGCDRO COc1ccc(C[NH2+]Cc2c(C)cccc2O)c(F)c1 ZINC000877085295 634979204 /nfs/dbraw/zinc/97/92/04/634979204.db2.gz SCQTZHNPVBVYMZ-UHFFFAOYSA-N 1 0 275.323 3.138 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H](C)C[C@@H](O)c2ccccc2)c(O)c1 ZINC000877127289 634992277 /nfs/dbraw/zinc/99/22/77/634992277.db2.gz DBPVBSMNUZTGLK-KBXCAEBGSA-N 1 0 285.387 3.302 20 10 CGCDRO Cc1ccc(C[N@@H+](C)C[C@@H](C)c2nccs2)c(O)c1 ZINC000877315870 635024885 /nfs/dbraw/zinc/02/48/85/635024885.db2.gz FDGKNZFJUJLEDE-GFCCVEGCSA-N 1 0 276.405 3.393 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCOCC3(CCCC3)C2)c(O)c1 ZINC000877419747 635038446 /nfs/dbraw/zinc/03/84/46/635038446.db2.gz HDXUTWUUTPHNLC-UHFFFAOYSA-N 1 0 275.392 3.093 20 10 CGCDRO Cc1ccc(C[N@@H+](C)Cc2ccc(C)cc2O)nc1 ZINC000877468790 635048535 /nfs/dbraw/zinc/04/85/35/635048535.db2.gz MZCPQRMONAUFIM-UHFFFAOYSA-N 1 0 256.349 3.036 20 10 CGCDRO CCCN(C[C@](C)(OC)C1CC1)c1ccc(C[NH3+])cc1 ZINC000877477726 635052329 /nfs/dbraw/zinc/05/23/29/635052329.db2.gz GFBCAFLASJXLKL-KRWDZBQOSA-N 1 0 276.424 3.177 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2C[C@H](C)O[C@@H]2C)c(O)c1 ZINC000840870977 635069361 /nfs/dbraw/zinc/06/93/61/635069361.db2.gz BAHGCJQGENJWBM-XQLPTFJDSA-N 1 0 277.408 3.473 20 10 CGCDRO CC[N@H+](Cc1ccncc1)Cc1ccc(C)cc1O ZINC000877524178 635071545 /nfs/dbraw/zinc/07/15/45/635071545.db2.gz SHWSDPDBYFZAFO-UHFFFAOYSA-N 1 0 256.349 3.118 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2nc(Cl)cs2)c1 ZINC000877534083 635076321 /nfs/dbraw/zinc/07/63/21/635076321.db2.gz XMPMDGHJCKQZMF-MRVPVSSYSA-N 1 0 298.795 3.362 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCC23CCC3)c1 ZINC000877533507 635076324 /nfs/dbraw/zinc/07/63/24/635076324.db2.gz PKJMLAYNVKCVAZ-NHYWBVRUSA-N 1 0 261.365 3.384 20 10 CGCDRO CO[C@H](C)[C@H](C)[NH2+][C@H](C)Cc1ccc(N(C)C)cc1C ZINC000840894773 635078278 /nfs/dbraw/zinc/07/82/78/635078278.db2.gz SKPPMDYOVKFABX-QLFBSQMISA-N 1 0 278.440 3.005 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCCS2)c(Cl)c1 ZINC000840903973 635079274 /nfs/dbraw/zinc/07/92/74/635079274.db2.gz FNYJXRQRDJABSF-JTQLQIEISA-N 1 0 271.813 3.339 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@H+](C)C[C@H]1CCCCO1 ZINC000840911962 635080930 /nfs/dbraw/zinc/08/09/30/635080930.db2.gz WGDOGPGAEXCRCM-QGZVFWFLSA-N 1 0 276.424 3.062 20 10 CGCDRO COC[C@H]1CCC[N@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000840918006 635082457 /nfs/dbraw/zinc/08/24/57/635082457.db2.gz NQMYXTGXRQWKQW-LBPRGKRZSA-N 1 0 283.799 3.212 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCCC(F)(F)F ZINC000840933912 635084773 /nfs/dbraw/zinc/08/47/73/635084773.db2.gz KTYJEAPHDDHHQM-UHFFFAOYSA-N 1 0 274.330 3.493 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCC=CO2)c(Cl)c1 ZINC000840939255 635086586 /nfs/dbraw/zinc/08/65/86/635086586.db2.gz LPURAYNEMXUWSF-LLVKDONJSA-N 1 0 267.756 3.136 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@@H+](C(C)C)[C@@H]1CCOC1 ZINC000840948772 635091246 /nfs/dbraw/zinc/09/12/46/635091246.db2.gz XMPRUMOUUIUQOR-QGZVFWFLSA-N 1 0 276.424 3.060 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]C1CCC(OC(F)F)CC1 ZINC000877572838 635098262 /nfs/dbraw/zinc/09/82/62/635098262.db2.gz JHQQQTBFOKPQIM-UHFFFAOYSA-N 1 0 285.334 3.341 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000877586241 635103057 /nfs/dbraw/zinc/10/30/57/635103057.db2.gz XIYHZDWCTGROND-FUHWJXTLSA-N 1 0 289.419 3.074 20 10 CGCDRO CSc1ccc(C[NH2+]CCc2ccc(N)cc2)cc1 ZINC000841037508 635111206 /nfs/dbraw/zinc/11/12/06/635111206.db2.gz UJSKLSBRRRQDPA-UHFFFAOYSA-N 1 0 272.417 3.323 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H](c2ccccc2F)[C@@H](C)O)c(O)c1 ZINC000877610926 635111388 /nfs/dbraw/zinc/11/13/88/635111388.db2.gz MDNRHAZPYDBZRB-SJKOYZFVSA-N 1 0 289.350 3.051 20 10 CGCDRO C[NH2+]Cc1cccc(NCc2cc(C)c(C)cc2O)c1 ZINC000841042037 635113349 /nfs/dbraw/zinc/11/33/49/635113349.db2.gz DDQNPBGBHAJWSG-UHFFFAOYSA-N 1 0 270.376 3.341 20 10 CGCDRO [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000841054972 635115684 /nfs/dbraw/zinc/11/56/84/635115684.db2.gz IZEHETQHKDUQTI-QWRGUYRKSA-N 1 0 289.206 3.059 20 10 CGCDRO C[NH2+]Cc1ccc(NCc2ccc(N(C)C)cc2C)cc1 ZINC000841069711 635117820 /nfs/dbraw/zinc/11/78/20/635117820.db2.gz CZFUFDHLHLJRAH-UHFFFAOYSA-N 1 0 283.419 3.393 20 10 CGCDRO CN(C)c1ccc(C[NH2+]Cc2cccc3c2CCCN3)cc1 ZINC000841082995 635118895 /nfs/dbraw/zinc/11/88/95/635118895.db2.gz LHGFMMHQFDAKJL-UHFFFAOYSA-N 1 0 295.430 3.401 20 10 CGCDRO Cc1ccc(C[NH2+]C[C@@H]2C(C)(C)C2(F)F)c(O)c1 ZINC000877636228 635124959 /nfs/dbraw/zinc/12/49/59/635124959.db2.gz QQEKBRRJVSSGRG-GFCCVEGCSA-N 1 0 255.308 3.082 20 10 CGCDRO Cc1cccc(O)c1C[NH2+][C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]12 ZINC000877640156 635127519 /nfs/dbraw/zinc/12/75/19/635127519.db2.gz JMORFYKMBMPHTL-BMGDILEWSA-N 1 0 283.346 3.268 20 10 CGCDRO CCN(C)c1ccc(C[NH2+][C@H](C)c2ccccc2O)cn1 ZINC000877755778 635184584 /nfs/dbraw/zinc/18/45/84/635184584.db2.gz MKSMHDOIQVLFDD-CYBMUJFWSA-N 1 0 285.391 3.094 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccccc1)c1ccccc1O ZINC000877756464 635185360 /nfs/dbraw/zinc/18/53/60/635185360.db2.gz JUORJFRBFZKPQL-UONOGXRCSA-N 1 0 298.386 3.460 20 10 CGCDRO COc1cc(C)c(C[NH2+][C@@H](C)c2ccccc2O)c(C)n1 ZINC000877757409 635185689 /nfs/dbraw/zinc/18/56/89/635185689.db2.gz YUEBTDAANCBJDB-LBPRGKRZSA-N 1 0 286.375 3.263 20 10 CGCDRO Cc1cccc(C[NH2+][C@H](C)c2ccccc2O)c1O ZINC000877756486 635185981 /nfs/dbraw/zinc/18/59/81/635185981.db2.gz LXACJPPPUUPXCM-GFCCVEGCSA-N 1 0 257.333 3.257 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1)c1ccccc1O ZINC000877758065 635186952 /nfs/dbraw/zinc/18/69/52/635186952.db2.gz HQZHHBOXVLAYCM-OPQQBVKSSA-N 1 0 289.297 3.153 20 10 CGCDRO Cc1csc([C@H]2CC[N@H+](Cc3cc(F)ccc3O)C2)n1 ZINC000877814136 635221002 /nfs/dbraw/zinc/22/10/02/635221002.db2.gz UEZKPVCYOOCRET-NSHDSACASA-N 1 0 292.379 3.286 20 10 CGCDRO CC[C@H](C)N(C)CC[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841745765 635221763 /nfs/dbraw/zinc/22/17/63/635221763.db2.gz AJAJSYPUASYLGR-RYUDHWBXSA-N 1 0 284.831 3.427 20 10 CGCDRO CC(C)N(C)C[C@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841753349 635227148 /nfs/dbraw/zinc/22/71/48/635227148.db2.gz HELISUCVXUKRRB-NWDGAFQWSA-N 1 0 284.831 3.425 20 10 CGCDRO CCOC[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841753819 635227723 /nfs/dbraw/zinc/22/77/23/635227723.db2.gz WUZXIKZVWKNOLC-UWVGGRQHSA-N 1 0 257.761 3.121 20 10 CGCDRO CO[C@H](C[NH2+][C@H]1CCc2cccc(O)c21)CC(C)C ZINC000841756516 635229500 /nfs/dbraw/zinc/22/95/00/635229500.db2.gz WSAUOIVAXROELW-KBPBESRZSA-N 1 0 263.381 3.030 20 10 CGCDRO CCC[C@](C)(O)C[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841765091 635234136 /nfs/dbraw/zinc/23/41/36/635234136.db2.gz UZBFHYFYIQBTHG-YGRLFVJLSA-N 1 0 271.788 3.247 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](c3cccnc3)C2)cc1C ZINC000842622613 635420154 /nfs/dbraw/zinc/42/01/54/635420154.db2.gz RBJMEGJNUFNKTM-INIZCTEOSA-N 1 0 282.387 3.394 20 10 CGCDRO CCOc1ccc(C[NH2+]C[C@@H](C)CC(F)F)c(O)c1 ZINC000842727706 635451482 /nfs/dbraw/zinc/45/14/82/635451482.db2.gz QRLVJKSQOQIJBL-JTQLQIEISA-N 1 0 273.323 3.172 20 10 CGCDRO CCCC[C@@](C)(CO)[NH2+]Cc1ccc(OC)c(C)c1 ZINC000842748276 635457872 /nfs/dbraw/zinc/45/78/72/635457872.db2.gz ZTROKWOZJWMYDL-INIZCTEOSA-N 1 0 265.397 3.034 20 10 CGCDRO CCCC[C@@](C)(CO)[NH2+]Cc1cc(C)c(C)cc1O ZINC000842747374 635458404 /nfs/dbraw/zinc/45/84/04/635458404.db2.gz RGFPSXHITUKYFS-INIZCTEOSA-N 1 0 265.397 3.040 20 10 CGCDRO C[C@H]([NH2+][C@@H](CCO)c1ccccc1F)c1ccccc1O ZINC000842922207 635511947 /nfs/dbraw/zinc/51/19/47/635511947.db2.gz AHVJESHFDBVCDL-LRDDRELGSA-N 1 0 289.350 3.306 20 10 CGCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1cccc([N+](=O)[O-])c1 ZINC000843057732 635553062 /nfs/dbraw/zinc/55/30/62/635553062.db2.gz SIURFLFGZFUZCO-UHFFFAOYSA-N 1 0 297.358 3.006 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000843416968 635663540 /nfs/dbraw/zinc/66/35/40/635663540.db2.gz NBCGWCZJCVLGHF-DOMZBBRYSA-N 1 0 295.810 3.437 20 10 CGCDRO Oc1cccc(Cl)c1C[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000843419741 635664872 /nfs/dbraw/zinc/66/48/72/635664872.db2.gz RUVPWYSAUREUHM-ZDUSSCGKSA-N 1 0 288.778 3.430 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCOC[C@@H]2C2CCC2)cc1C ZINC000843429272 635673498 /nfs/dbraw/zinc/67/34/98/635673498.db2.gz UOJOFIWHRWLCNT-MRXNPFEDSA-N 1 0 275.392 3.010 20 10 CGCDRO C[C@@H]([NH2+]CC[C@@H](O)c1ccccc1)c1ccccc1O ZINC000879648837 635827187 /nfs/dbraw/zinc/82/71/87/635827187.db2.gz BMIKJMVAHMZJGX-CZUORRHYSA-N 1 0 271.360 3.167 20 10 CGCDRO COCc1ccc(C[NH2+]Cc2ccc(N(C)C)cc2C)o1 ZINC000128244630 635928417 /nfs/dbraw/zinc/92/84/17/635928417.db2.gz XGIWZFLBXFDLDM-UHFFFAOYSA-N 1 0 288.391 3.090 20 10 CGCDRO COc1ccc(O)c(C[NH2+]CC[C@@]2(C)C[C@]2(F)Cl)c1 ZINC000846035601 636133950 /nfs/dbraw/zinc/13/39/50/636133950.db2.gz HNVXKUYDEBGVRI-UONOGXRCSA-N 1 0 287.762 3.195 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000846107531 636144803 /nfs/dbraw/zinc/14/48/03/636144803.db2.gz IYLVDOUFFXLUBP-ZDUSSCGKSA-N 1 0 253.292 3.013 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+][C@H](C)c2c(C)noc2C)c1O ZINC000846144354 636149315 /nfs/dbraw/zinc/14/93/15/636149315.db2.gz KNWJXLLMHBWPOO-NXEZZACHSA-N 1 0 290.363 3.417 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)c1O ZINC000846157489 636150398 /nfs/dbraw/zinc/15/03/98/636150398.db2.gz COWSRRZDCIAFLW-RNJOBUHISA-N 1 0 279.380 3.007 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]CC2(C3CC3)CC2)c1O ZINC000846155676 636150556 /nfs/dbraw/zinc/15/05/56/636150556.db2.gz CBMUVMUNDCJZEY-NSHDSACASA-N 1 0 261.365 3.242 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]CC2CC(C)(C)C2)c1O ZINC000846165910 636152083 /nfs/dbraw/zinc/15/20/83/636152083.db2.gz PKIURVFVTUFCEX-NSHDSACASA-N 1 0 263.381 3.488 20 10 CGCDRO C[C@H](COCC1CC1)[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000846203131 636157959 /nfs/dbraw/zinc/15/79/59/636157959.db2.gz FFWMTHPEMCYHQS-MISXGVKJSA-N 1 0 293.382 3.484 20 10 CGCDRO CC[C@H]([NH2+]CCC1(CO)CCC1)c1ccc(C)cc1O ZINC000846209200 636158790 /nfs/dbraw/zinc/15/87/90/636158790.db2.gz BXYAMLAWBYENKV-HNNXBMFYSA-N 1 0 277.408 3.294 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](c3ccncc3)C2)cc1 ZINC000846907446 636279079 /nfs/dbraw/zinc/27/90/79/636279079.db2.gz GWOMWDKHDDONOL-QGZVFWFLSA-N 1 0 281.403 3.137 20 10 CGCDRO C[NH+](C)Cc1ccc(NCc2cc(F)cc(F)c2O)cc1 ZINC000882907760 636456981 /nfs/dbraw/zinc/45/69/81/636456981.db2.gz OOUXHZGUPHBXLH-UHFFFAOYSA-N 1 0 292.329 3.344 20 10 CGCDRO CCC[NH2+][C@H](C)c1cc(Br)cc(OC)c1O ZINC000848513779 636582922 /nfs/dbraw/zinc/58/29/22/636582922.db2.gz HGUHTHPJNBTHOF-MRVPVSSYSA-N 1 0 288.185 3.224 20 10 CGCDRO c1cn2c(n1)[C@@H]([NH2+]Cc1ccc(N3CCCC3)cc1)CCC2 ZINC000848517466 636584365 /nfs/dbraw/zinc/58/43/65/636584365.db2.gz DMMZAFJWSAHUHH-KRWDZBQOSA-N 1 0 296.418 3.108 20 10 CGCDRO Cc1cnc(CC[NH2+][C@H]2CCc3cccc(O)c32)c(C)c1 ZINC000848559454 636605216 /nfs/dbraw/zinc/60/52/16/636605216.db2.gz CXXVVISMZGPCHD-INIZCTEOSA-N 1 0 282.387 3.224 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+][C@@H](C1CC1)[C@@H]1CCCCO1)CC2 ZINC000848558816 636605752 /nfs/dbraw/zinc/60/57/52/636605752.db2.gz NOXLKRMYXSJSOY-HFTRVMKXSA-N 1 0 287.403 3.317 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H](C2CC2)[C@H]2CCCCO2)c1 ZINC000848561323 636606474 /nfs/dbraw/zinc/60/64/74/636606474.db2.gz WNUAVZZDUPTCRT-SJORKVTESA-N 1 0 275.392 3.138 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)Cc2ccccn2)c1O ZINC000848564774 636608203 /nfs/dbraw/zinc/60/82/03/636608203.db2.gz IAMDMEXLHIGOBZ-QWHCGFSZSA-N 1 0 286.375 3.078 20 10 CGCDRO C[C@@H](Cc1ccccn1)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000848564350 636608322 /nfs/dbraw/zinc/60/83/22/636608322.db2.gz FMMLLHPMIPIBRD-GJZGRUSLSA-N 1 0 283.419 3.429 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@H](C)C(=O)OC(C)(C)C)cc1C ZINC000848566449 636609634 /nfs/dbraw/zinc/60/96/34/636609634.db2.gz YEYUUDGCTFYLIC-ZDUSSCGKSA-N 1 0 293.407 3.076 20 10 CGCDRO CCOc1cccc(C[NH2+][C@H]2C[C@H](OC(C)(C)C)C2)c1O ZINC000848566903 636609715 /nfs/dbraw/zinc/60/97/15/636609715.db2.gz LVENMCDMNXBQHX-HDJSIYSDSA-N 1 0 293.407 3.227 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@H](CC)[C@H]2CCCCO2)c1 ZINC000848574543 636613192 /nfs/dbraw/zinc/61/31/92/636613192.db2.gz FLEMXBRPVCPWIJ-NVXWUHKLSA-N 1 0 293.407 3.228 20 10 CGCDRO CC[C@@H]1CO[C@H](C)CN1Cc1c(O)cccc1Cl ZINC000131501114 636670648 /nfs/dbraw/zinc/67/06/48/636670648.db2.gz JNBRIRGVTBBWHP-GHMZBOCLSA-N 1 0 269.772 3.045 20 10 CGCDRO CCc1cccc(C[N@H+](C)C2CCC(OC)CC2)c1O ZINC000848887316 636674798 /nfs/dbraw/zinc/67/47/98/636674798.db2.gz STLHXZWHFNDFPV-UHFFFAOYSA-N 1 0 277.408 3.344 20 10 CGCDRO CCO[C@H]1C[C@@H]([NH2+]Cc2cccc(CC)c2O)C12CCC2 ZINC000848896999 636679608 /nfs/dbraw/zinc/67/96/08/636679608.db2.gz LYWIGHWGXDDEJD-CVEARBPZSA-N 1 0 289.419 3.392 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H](COC)c2ccco2)c1O ZINC000848898372 636680583 /nfs/dbraw/zinc/68/05/83/636680583.db2.gz USFLIOUEWVRQTH-AWEZNQCLSA-N 1 0 275.348 3.025 20 10 CGCDRO CCc1cccc(C[NH2+][C@H](CC)[C@@H]2CCCO2)c1O ZINC000848901129 636681559 /nfs/dbraw/zinc/68/15/59/636681559.db2.gz UKISTVAMHOSQAA-CABCVRRESA-N 1 0 263.381 3.002 20 10 CGCDRO CCc1cccc(C[NH2+][C@H](CCOC)c2ccco2)c1O ZINC000848902037 636683194 /nfs/dbraw/zinc/68/31/94/636683194.db2.gz IZJPDWDSRPLSST-OAHLLOKOSA-N 1 0 289.375 3.415 20 10 CGCDRO CCc1cccc(C[NH2+][C@H](C2CC2)[C@@H]2CCCCO2)c1O ZINC000848922281 636693033 /nfs/dbraw/zinc/69/30/33/636693033.db2.gz PTHLSZXVQDKKDF-DLBZAZTESA-N 1 0 289.419 3.392 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H](CC)[C@H]2CCCOC2)c1O ZINC000883352410 636693356 /nfs/dbraw/zinc/69/33/56/636693356.db2.gz ALAYAFNPGLNETI-GJZGRUSLSA-N 1 0 293.407 3.086 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCC[C@]12CCCO2)c1ccccc1O ZINC000883366632 636707618 /nfs/dbraw/zinc/70/76/18/636707618.db2.gz XMBOAIPZROCUQS-MAZHCROVSA-N 1 0 261.365 3.145 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCc3cc(N)ccc32)cc1C ZINC000849352284 636818082 /nfs/dbraw/zinc/81/80/82/636818082.db2.gz KCTDDOKXWSFSBF-QGZVFWFLSA-N 1 0 282.387 3.368 20 10 CGCDRO C[N@@H+](Cc1cc(Cl)ccc1O)C[C@H]1CCCCO1 ZINC000132596886 636822688 /nfs/dbraw/zinc/82/26/88/636822688.db2.gz IOBYCZKIJJHYPH-CYBMUJFWSA-N 1 0 269.772 3.047 20 10 CGCDRO CC1(C)CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000132766300 636837092 /nfs/dbraw/zinc/83/70/92/636837092.db2.gz YOODZYRIXWSGBP-UHFFFAOYSA-N 1 0 284.197 3.387 20 10 CGCDRO Oc1ccccc1C[NH2+][C@@H]1CCc2c1cccc2F ZINC000134230380 637007054 /nfs/dbraw/zinc/00/70/54/637007054.db2.gz PJRBOKSWSMSMAU-OAHLLOKOSA-N 1 0 257.308 3.308 20 10 CGCDRO COc1ccc(N2CC[C@@H]([NH2+]CC3(C)CCC3)C2)cc1 ZINC000850346328 637022842 /nfs/dbraw/zinc/02/28/42/637022842.db2.gz FHCFDJCUHNORFN-CQSZACIVSA-N 1 0 274.408 3.054 20 10 CGCDRO CSCC1(CC[NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000850356742 637026301 /nfs/dbraw/zinc/02/63/01/637026301.db2.gz VVUSOFNCXUOFHD-UHFFFAOYSA-N 1 0 277.433 3.244 20 10 CGCDRO CSCC1(CC[NH2+]Cc2cc(C)ccc2O)CC1 ZINC000850356535 637026315 /nfs/dbraw/zinc/02/63/15/637026315.db2.gz UCVVOODWRXHKEK-UHFFFAOYSA-N 1 0 265.422 3.324 20 10 CGCDRO Cc1ccc(CC[NH2+]Cc2ccccc2O)cc1C ZINC000850367059 637031606 /nfs/dbraw/zinc/03/16/06/637031606.db2.gz QOGWPIIIFMOKCF-UHFFFAOYSA-N 1 0 255.361 3.341 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2C[C@H](O)c3ccccc32)cc1C ZINC000850372709 637036407 /nfs/dbraw/zinc/03/64/07/637036407.db2.gz XQYQDWOPFUYYTM-SJORKVTESA-N 1 0 283.371 3.272 20 10 CGCDRO CCOc1ccc(C[NH2+]C(C)(C2CC2)C2CC2)c(O)c1 ZINC000850397882 637047700 /nfs/dbraw/zinc/04/77/00/637047700.db2.gz JLTDODSJONLAKA-UHFFFAOYSA-N 1 0 275.392 3.459 20 10 CGCDRO CC1(C)Cc2cccc(C[NH2+]Cc3ccccc3O)c2O1 ZINC000134900229 637048604 /nfs/dbraw/zinc/04/86/04/637048604.db2.gz AQCPZKAGPNVGLO-UHFFFAOYSA-N 1 0 283.371 3.396 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)c3ccco3)C2)cc1 ZINC000850486615 637087741 /nfs/dbraw/zinc/08/77/41/637087741.db2.gz CGIJKSYKMZVSHR-KBPBESRZSA-N 1 0 286.375 3.218 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1)c1ccc(N(C)C)cc1 ZINC000850495012 637090659 /nfs/dbraw/zinc/09/06/59/637090659.db2.gz VALDHGKPRBSXFV-GDBMZVCRSA-N 1 0 289.467 3.276 20 10 CGCDRO CC[C@H]([NH2+][C@H]1C[C@H](C)n2ncnc21)c1ccc(C)cc1O ZINC000850498762 637090703 /nfs/dbraw/zinc/09/07/03/637090703.db2.gz CRANZYVNLVPJPD-UBHSHLNASA-N 1 0 286.379 3.039 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CC(C)(C)OC)cc1 ZINC000135231380 637098001 /nfs/dbraw/zinc/09/80/01/637098001.db2.gz IDTGUUVNMYJTJE-UHFFFAOYSA-N 1 0 264.413 3.047 20 10 CGCDRO COC(C)(C)C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000135232664 637098291 /nfs/dbraw/zinc/09/82/91/637098291.db2.gz DBPVCEONGDUVRB-UHFFFAOYSA-N 1 0 276.424 3.192 20 10 CGCDRO COCc1csc(C[NH2+][C@@H]2CCc3cccc(O)c32)c1 ZINC000850532160 637109479 /nfs/dbraw/zinc/10/94/79/637109479.db2.gz KEBFZAOWHIQRKK-CQSZACIVSA-N 1 0 289.400 3.377 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]CC[C@]2(C)CC2(F)F)c1O ZINC000850536916 637112891 /nfs/dbraw/zinc/11/28/91/637112891.db2.gz OXKQOROJKKMAJN-QMTHXVAHSA-N 1 0 285.334 3.487 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@]2(C)CC2(F)F)c1O ZINC000850538007 637113828 /nfs/dbraw/zinc/11/38/28/637113828.db2.gz ZUHCGYUPKCTUCG-ZANVPECISA-N 1 0 271.307 3.097 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CCN(C2CCCCC2)C1)c1ccccc1O ZINC000850538747 637114117 /nfs/dbraw/zinc/11/41/17/637114117.db2.gz LAESSEOKSYZCDW-CABCVRRESA-N 1 0 288.435 3.450 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCc3ccc(O)cc32)c1 ZINC000850543720 637116095 /nfs/dbraw/zinc/11/60/95/637116095.db2.gz ONHVHSXWGIYHFT-PIGZYNQJSA-N 1 0 299.370 3.445 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H](CO)CC1CC1)c1ccc(C)cc1O ZINC000850546173 637116822 /nfs/dbraw/zinc/11/68/22/637116822.db2.gz XDFJSDSEKAAGQL-GOEBONIOSA-N 1 0 277.408 3.150 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2C[C@H](O)C23CCC3)c1O ZINC000850545393 637116907 /nfs/dbraw/zinc/11/69/07/637116907.db2.gz GSSCTYUCHRZDNC-GDLCADMTSA-N 1 0 295.810 3.308 20 10 CGCDRO Cc1cncc(CC[NH2+][C@H](C)c2cc(Cl)ccc2O)n1 ZINC000850549882 637118165 /nfs/dbraw/zinc/11/81/65/637118165.db2.gz KFWMHEIWZFPLFQ-LLVKDONJSA-N 1 0 291.782 3.037 20 10 CGCDRO CCCN1CC[C@@H]([NH2+][C@@H](C)c2ccc(N(C)CC)cc2)C1 ZINC000850556125 637120354 /nfs/dbraw/zinc/12/03/54/637120354.db2.gz QYNAHGLWWTZJCE-DOTOQJQBSA-N 1 0 289.467 3.278 20 10 CGCDRO CCCN1CC[C@H]([NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)C1 ZINC000850557283 637122058 /nfs/dbraw/zinc/12/20/58/637122058.db2.gz VZQHGUMLFHSMAX-DYEKYZERSA-N 1 0 292.398 3.154 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]CC2SCCS2)c(O)c1 ZINC000850559321 637123460 /nfs/dbraw/zinc/12/34/60/637123460.db2.gz ABCNOKYOLCFWFF-NSHDSACASA-N 1 0 283.462 3.466 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](C)c1nccn1C)c1ccc(N(C)C)cc1 ZINC000850572712 637129608 /nfs/dbraw/zinc/12/96/08/637129608.db2.gz OELUGQNILFOVRO-XJKSGUPXSA-N 1 0 286.423 3.288 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](c2ccccc2)[C@H](C)O)c1 ZINC000850581969 637132146 /nfs/dbraw/zinc/13/21/46/637132146.db2.gz AJDJCUCYIFNNER-SUNYJGFJSA-N 1 0 285.387 3.473 20 10 CGCDRO CCC[N@H+](Cc1cc(OC)ns1)Cc1ccccc1O ZINC000851791687 637503245 /nfs/dbraw/zinc/50/32/45/637503245.db2.gz FHTWDUKWTPGPOS-UHFFFAOYSA-N 1 0 292.404 3.270 20 10 CGCDRO C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1c([O-])cccc1F ZINC000886623816 637614163 /nfs/dbraw/zinc/61/41/63/637614163.db2.gz OXYBWCJFINAYHG-GFCCVEGCSA-N 1 0 280.387 3.056 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2cc(C3CC3)no2)c1 ZINC000886684250 637650562 /nfs/dbraw/zinc/65/05/62/637650562.db2.gz IFDWWKIFJPZXJC-NSHDSACASA-N 1 0 272.348 3.417 20 10 CGCDRO Cn1cc(C[N@H+](Cc2ccccc2O)C2CCCC2)cn1 ZINC000111245071 637819764 /nfs/dbraw/zinc/81/97/64/637819764.db2.gz BDYULNNDEWWGLW-UHFFFAOYSA-N 1 0 285.391 3.071 20 10 CGCDRO C[NH2+]C[C@@H](C)N[C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000854231250 638028844 /nfs/dbraw/zinc/02/88/44/638028844.db2.gz CZWOLNIYXDQXKS-CVEARBPZSA-N 1 0 289.467 3.326 20 10 CGCDRO CC[C@H](c1ccc(F)cc1[O-])[NH+]1CCC([NH3+])(CC)CC1 ZINC000925760389 638600610 /nfs/dbraw/zinc/60/06/10/638600610.db2.gz QHWVFVBYEWCMEC-CQSZACIVSA-N 1 0 280.387 3.186 20 10 CGCDRO Cc1nn(C(C)C)cc1C[NH2+]Cc1cc(C)ccc1O ZINC000858239286 638661360 /nfs/dbraw/zinc/66/13/60/638661360.db2.gz LAHCWEZWABHOTG-UHFFFAOYSA-N 1 0 273.380 3.076 20 10 CGCDRO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000858284186 638672031 /nfs/dbraw/zinc/67/20/31/638672031.db2.gz YIDNGKLMHKMEQI-LKUXFXEPSA-N 1 0 288.435 3.167 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccns1 ZINC000858316474 638679108 /nfs/dbraw/zinc/67/91/08/638679108.db2.gz CISXMBJSOMOZND-SNVBAGLBSA-N 1 0 279.384 3.199 20 10 CGCDRO CC(C)CC[C@H](CO)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000858486579 638738059 /nfs/dbraw/zinc/73/80/59/638738059.db2.gz WEHVBACJZQWUBE-GOEBONIOSA-N 1 0 278.440 3.200 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@]23CCC[C@H]2OCC3)c1O ZINC000926916604 638824978 /nfs/dbraw/zinc/82/49/78/638824978.db2.gz RNXFMDWDOSDHHF-XGWLTEMNSA-N 1 0 291.391 3.011 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](c2cnn(C)c2)C(C)C)c(O)c1 ZINC000927070529 638838047 /nfs/dbraw/zinc/83/80/47/638838047.db2.gz OPEHPIQHEOVXJU-CXAGYDPISA-N 1 0 287.407 3.482 20 10 CGCDRO C[C@H]([NH2+][C@H]1C[C@@](CO)(c2ccccc2)C1)c1ccccc1O ZINC000927157072 638848453 /nfs/dbraw/zinc/84/84/53/638848453.db2.gz NITJYTRKKIOWBU-URLQWDBASA-N 1 0 297.398 3.136 20 10 CGCDRO C[C@H](c1ccc(F)nc1)[N@H+](C)Cc1ccccc1O ZINC000929970804 638965549 /nfs/dbraw/zinc/96/55/49/638965549.db2.gz LBSVHOLMRIEAME-LLVKDONJSA-N 1 0 260.312 3.119 20 10 CGCDRO CO[C@H]1C[C@@H](C[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)C1 ZINC000858592492 638999221 /nfs/dbraw/zinc/99/92/21/638999221.db2.gz DCWMAWOAMWZUNG-IOASZLSFSA-N 1 0 289.419 3.347 20 10 CGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)c2ccns2)c1O ZINC000860054776 639274844 /nfs/dbraw/zinc/27/48/44/639274844.db2.gz UQSNHYOJZCUPAR-QMMMGPOBSA-N 1 0 294.351 3.041 20 10 CGCDRO Cc1cc(C[NH2+][C@@H]2COC[C@@H]2C)ccc1N1CCCCC1 ZINC000932491248 639341020 /nfs/dbraw/zinc/34/10/20/639341020.db2.gz JEZYLXHEHVHKAE-DOTOQJQBSA-N 1 0 288.435 3.110 20 10 CGCDRO COCCCC[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000117881472 639482175 /nfs/dbraw/zinc/48/21/75/639482175.db2.gz HRMXCBRLHZBTDT-UHFFFAOYSA-N 1 0 289.375 3.414 20 10 CGCDRO CC[C@H]1CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000159194403 640035042 /nfs/dbraw/zinc/03/50/42/640035042.db2.gz VBKUTPKSFQOEDT-JTQLQIEISA-N 1 0 284.197 3.387 20 10 CGCDRO COc1cc(C[N@H+](CC(C)C)C2CC2)c(O)cc1C ZINC000159745366 640067114 /nfs/dbraw/zinc/06/71/14/640067114.db2.gz KWGLPJALJZEPJJ-UHFFFAOYSA-N 1 0 263.381 3.330 20 10 CGCDRO COc1cnccc1[C@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000188786134 640150856 /nfs/dbraw/zinc/15/08/56/640150856.db2.gz GAUSZMXAOHMAGA-RYUDHWBXSA-N 1 0 272.348 3.208 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@H+]2CCSCC[C@@H]2C)c1 ZINC000189918711 640212221 /nfs/dbraw/zinc/21/22/21/640212221.db2.gz SMUFSVDUPSSAAN-ZDUSSCGKSA-N 1 0 265.422 3.336 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cc(C)ccc1O)c1nccs1 ZINC000078004089 640277571 /nfs/dbraw/zinc/27/75/71/640277571.db2.gz NQOPNZCDSRXXFC-GFCCVEGCSA-N 1 0 262.378 3.398 20 10 CGCDRO CC[N@@H+](Cc1ccc(N(C)C)cc1)C[C@H]1CCC=CO1 ZINC000191059469 640285985 /nfs/dbraw/zinc/28/59/85/640285985.db2.gz ARUOSSFDHNLXLR-QGZVFWFLSA-N 1 0 274.408 3.267 20 10 CGCDRO Cc1cccc(C[NH2+]CCc2ccc(F)c(F)c2)c1O ZINC000191495964 640315713 /nfs/dbraw/zinc/31/57/13/640315713.db2.gz FOCQNGYICGWLBZ-UHFFFAOYSA-N 1 0 277.314 3.311 20 10 CGCDRO CCCN(Cc1cccnc1C)c1ccc(C[NH3+])cc1 ZINC000194981091 640561249 /nfs/dbraw/zinc/56/12/49/640561249.db2.gz GINZFBPEMMOTLF-UHFFFAOYSA-N 1 0 269.392 3.265 20 10 CGCDRO C[C@H]([NH2+]CCC1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000090118922 640670220 /nfs/dbraw/zinc/67/02/20/640670220.db2.gz LMXPTWDURVYMID-ZDUSSCGKSA-N 1 0 292.398 3.113 20 10 CGCDRO CO[C@@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000091772281 640721512 /nfs/dbraw/zinc/72/15/12/640721512.db2.gz ZVSZORYQNNEPSO-GOSISDBHSA-N 1 0 288.435 3.288 20 10 CGCDRO COc1ccccc1C[N@H+](C)Cc1ccccc1O ZINC000091974576 640727337 /nfs/dbraw/zinc/72/73/37/640727337.db2.gz OPDGZWZZJIVOPV-UHFFFAOYSA-N 1 0 257.333 3.033 20 10 CGCDRO CS[C@H]1CCCC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000092064231 640730923 /nfs/dbraw/zinc/73/09/23/640730923.db2.gz HDZNWXGLJAAAHQ-AWEZNQCLSA-N 1 0 265.422 3.418 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)[C@@H]2CCCC[C@H]21 ZINC000248410051 640756274 /nfs/dbraw/zinc/75/62/74/640756274.db2.gz DAKBWXDPCQLIFZ-KWCYVHTRSA-N 1 0 289.375 3.131 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCN2CCCC[C@H]2C)c(O)c1 ZINC000248491109 640763213 /nfs/dbraw/zinc/76/32/13/640763213.db2.gz IOQLAWXPOGIJPC-CABCVRRESA-N 1 0 276.424 3.226 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)c1cc(OC)ccc1O)[C@@H]1CCCO1 ZINC000248529191 640766311 /nfs/dbraw/zinc/76/63/11/640766311.db2.gz WOLBRXOXONBKMM-WPGHFRTFSA-N 1 0 279.380 3.009 20 10 CGCDRO CCOc1ccc(O)c(C[NH+](CC2CC2)CC2CC2)c1 ZINC000093480158 640772762 /nfs/dbraw/zinc/77/27/62/640772762.db2.gz QZOPTVJJLFSJSE-UHFFFAOYSA-N 1 0 275.392 3.413 20 10 CGCDRO C[C@H]([NH2+][C@@H]1C[C@@H](O)C1(C)C)c1cc2c(cc1O)CCCC2 ZINC000250096551 640810181 /nfs/dbraw/zinc/81/01/81/640810181.db2.gz QTWHGTKEVSQZBX-YMRXKLBXSA-N 1 0 289.419 3.081 20 10 CGCDRO CO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1cc(C)ccc1O ZINC000279605240 641034920 /nfs/dbraw/zinc/03/49/20/641034920.db2.gz WSEARBDRTWRFAL-XNRPHZJLSA-N 1 0 263.381 3.309 20 10 CGCDRO CCCC[C@@H](O)C[NH2+]Cc1cc2ccccc2cc1O ZINC001252116051 806004679 /nfs/dbraw/zinc/00/46/79/806004679.db2.gz VPTRACVOIQIECD-MRXNPFEDSA-N 1 0 273.376 3.186 20 10 CGCDRO CCCCCC[C@@H](C)[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001257354868 807120549 /nfs/dbraw/zinc/12/05/49/807120549.db2.gz OTKGTEVXKBTJBE-WBMJQRKESA-N 1 0 281.396 3.080 20 10 CGCDRO Nc1ccc(Cc2ccc(NC3=CCC[NH2+]C3)cc2)cc1 ZINC001159703110 806154870 /nfs/dbraw/zinc/15/48/70/806154870.db2.gz ACBBJNILMZXDQD-UHFFFAOYSA-N 1 0 279.387 3.149 20 10 CGCDRO CO[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001254197308 806363138 /nfs/dbraw/zinc/36/31/38/806363138.db2.gz WWJAZYVASHWJKB-FUHWJXTLSA-N 1 0 288.435 3.192 20 10 CGCDRO O=C1C[C@H]2CC([NH2+]Cc3ccc(N4CCCC4)cc3)C[C@@H]2C1 ZINC001254922550 806507980 /nfs/dbraw/zinc/50/79/80/806507980.db2.gz SDRIXAZMHAZHDN-HZPDHXFCSA-N 1 0 298.430 3.134 20 10 CGCDRO O=C1C[C@H]2C[C@H]([NH2+]Cc3cc4ccccc4cc3O)C[C@H]2C1 ZINC001254929486 806510582 /nfs/dbraw/zinc/51/05/82/806510582.db2.gz SPVKZOPXHLQDSY-QLPKVWCKSA-N 1 0 295.382 3.393 20 10 CGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)[C@H]1CCSC1 ZINC001255292294 806597686 /nfs/dbraw/zinc/59/76/86/806597686.db2.gz GDUVGTWGJZGGEJ-HNNXBMFYSA-N 1 0 264.438 3.080 20 10 CGCDRO CC[C@H]1CCCC[C@H]1[NH2+]Cc1cc(OC)ccc1O ZINC000037031275 798856276 /nfs/dbraw/zinc/85/62/76/798856276.db2.gz RVYLEFLPWLZEFS-SWLSCSKDSA-N 1 0 263.381 3.459 20 10 CGCDRO CCOc1cccc(C[NH2+][C@H]2CCC[C@H](C)C2)c1O ZINC000037254227 798863811 /nfs/dbraw/zinc/86/38/11/798863811.db2.gz URWIHWYJJPRQMU-JSGCOSHPSA-N 1 0 263.381 3.459 20 10 CGCDRO CC(C)CC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000123413654 798994496 /nfs/dbraw/zinc/99/44/96/798994496.db2.gz HWIFBTUYOQJBIO-OAHLLOKOSA-N 1 0 276.424 3.220 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)[C@H]1CCCCO1 ZINC000379285561 799349521 /nfs/dbraw/zinc/34/95/21/799349521.db2.gz GUYDNIBVNHYAKT-KBXCAEBGSA-N 1 0 288.435 3.116 20 10 CGCDRO CC(=O)c1cc(F)cc(C[N@H+]2C[C@@H](C)CC2(C)C)c1O ZINC000380367836 799362357 /nfs/dbraw/zinc/36/23/57/799362357.db2.gz NQMYELMWIARXFR-JTQLQIEISA-N 1 0 279.355 3.354 20 10 CGCDRO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](C)[C@H]2C)c1O ZINC000380690378 799366320 /nfs/dbraw/zinc/36/63/20/799366320.db2.gz BREIUXNSBRKLSI-NXEZZACHSA-N 1 0 281.783 3.479 20 10 CGCDRO CC[C@H](C)[C@H](C[NH2+]Cc1cc(Cl)ccc1O)OC ZINC000381136752 799373959 /nfs/dbraw/zinc/37/39/59/799373959.db2.gz IKZYMEJYPQAISM-HZMBPMFUSA-N 1 0 271.788 3.196 20 10 CGCDRO CC[C@H](C)[C@@H](C[NH2+]Cc1ccc(OC)c(C)c1)OC ZINC000381278478 799376496 /nfs/dbraw/zinc/37/64/96/799376496.db2.gz KEYZADYFDUWELY-BLLLJJGKSA-N 1 0 265.397 3.154 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)[C@@H](C)O1 ZINC000385267691 799424777 /nfs/dbraw/zinc/42/47/77/799424777.db2.gz XSTNEUIIZAHGAI-RKVPGOIHSA-N 1 0 288.435 3.332 20 10 CGCDRO CCOCC(C)(C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC000388630576 799454597 /nfs/dbraw/zinc/45/45/97/799454597.db2.gz VOTGLAAHGLBLJT-UHFFFAOYSA-N 1 0 265.397 3.156 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](CO)CC(C)(C)C)cc1 ZINC000393464972 799487605 /nfs/dbraw/zinc/48/76/05/799487605.db2.gz LIJPDFCNOYGNKW-MRXNPFEDSA-N 1 0 292.467 3.420 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@H]1CC1(C)C ZINC000397667815 799517971 /nfs/dbraw/zinc/51/79/71/799517971.db2.gz DXZXYEYENJOHTB-RHSMWYFYSA-N 1 0 288.435 3.047 20 10 CGCDRO CC[C@H]1C[N@H+](Cc2cccc(C)c2O)[C@@H](CC)CO1 ZINC000403890106 799572283 /nfs/dbraw/zinc/57/22/83/799572283.db2.gz WMJCAHRGNIPWQP-GJZGRUSLSA-N 1 0 263.381 3.090 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H]1CCC[C@H](C)O1)c1ccccc1O ZINC000688872262 799756541 /nfs/dbraw/zinc/75/65/41/799756541.db2.gz AVVOFHDMRNUKGM-YDHLFZDLSA-N 1 0 263.381 3.391 20 10 CGCDRO C[C@@H]([NH2+]C[C@]1(C)CC1(F)F)c1ccc(N(C)C)cc1 ZINC000689246700 799763109 /nfs/dbraw/zinc/76/31/09/799763109.db2.gz GSPFZOZQDOEOGV-RISCZKNCSA-N 1 0 268.351 3.449 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@@H]2Cc3ccccc32)c1O ZINC000691474145 799783943 /nfs/dbraw/zinc/78/39/43/799783943.db2.gz NNJQQWQLVSGVQY-INIZCTEOSA-N 1 0 267.372 3.384 20 10 CGCDRO CCc1cccc(C[NH2+]CC[C@H]2CCCCO2)c1O ZINC000691433034 799784253 /nfs/dbraw/zinc/78/42/53/799784253.db2.gz BYZWEDCZXZASJH-OAHLLOKOSA-N 1 0 263.381 3.003 20 10 CGCDRO CCc1cccc(C[NH2+]CC2CC(F)(F)C2)c1O ZINC000691525316 799785666 /nfs/dbraw/zinc/78/56/66/799785666.db2.gz TXHNESQZTMTMLY-UHFFFAOYSA-N 1 0 255.308 3.090 20 10 CGCDRO Cc1cccc(C[NH2+]C[C@H]2CCC3(CCCC3)O2)c1O ZINC000691814381 799788086 /nfs/dbraw/zinc/78/80/86/799788086.db2.gz OVQJBBXIOWLEDA-OAHLLOKOSA-N 1 0 275.392 3.282 20 10 CGCDRO CCc1cccc(C[N@H+](CCOC)CC(C)C)c1O ZINC000692084545 799791274 /nfs/dbraw/zinc/79/12/74/799791274.db2.gz FABZALAIXVVVGG-UHFFFAOYSA-N 1 0 265.397 3.059 20 10 CGCDRO CO[C@H](C[NH2+][C@H](C)c1ccc(N(C)C)cc1)C1CCC1 ZINC000692868270 799801461 /nfs/dbraw/zinc/80/14/61/799801461.db2.gz NZYYQCYKFWCBLU-CXAGYDPISA-N 1 0 276.424 3.218 20 10 CGCDRO CC(C)(C)N1CC[C@@H]([NH2+]Cc2c(O)cccc2Cl)C1 ZINC000693867895 799816051 /nfs/dbraw/zinc/81/60/51/799816051.db2.gz PQAVWJCTSRCLPD-LLVKDONJSA-N 1 0 282.815 3.008 20 10 CGCDRO COc1ccc(C[NH2+][C@H](C)Cc2ccccn2)cc1C ZINC000693999776 799819814 /nfs/dbraw/zinc/81/98/14/799819814.db2.gz ITPAQECPSSNIGN-CQSZACIVSA-N 1 0 270.376 3.119 20 10 CGCDRO CC[C@H](C)CC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000696236717 799838379 /nfs/dbraw/zinc/83/83/79/799838379.db2.gz QHVJDBXGYWDZLZ-HNNXBMFYSA-N 1 0 276.424 3.049 20 10 CGCDRO C[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)CC(F)F ZINC000697734264 799847969 /nfs/dbraw/zinc/84/79/69/799847969.db2.gz GHLGWTRBEFKQJV-JTQLQIEISA-N 1 0 255.308 3.002 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CC[C@H]2CC2(F)F)c(O)c1 ZINC000701948388 799899407 /nfs/dbraw/zinc/89/94/07/799899407.db2.gz VJNNIACIBIODDD-MNOVXSKESA-N 1 0 255.308 3.397 20 10 CGCDRO COC1CCC([NH2+][C@H](C)c2ccc(C)cc2O)CC1 ZINC000703832398 799931478 /nfs/dbraw/zinc/93/14/78/799931478.db2.gz UJFOQPDOROQRGL-IYXRBSQSSA-N 1 0 263.381 3.309 20 10 CGCDRO CCC[C@H](C[NH2+]Cc1c(O)cccc1Cl)OCC ZINC000705386994 799948904 /nfs/dbraw/zinc/94/89/04/799948904.db2.gz XQPINIGKSBQYKA-LLVKDONJSA-N 1 0 271.788 3.340 20 10 CGCDRO Cc1ncccc1C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000705528643 799949478 /nfs/dbraw/zinc/94/94/78/799949478.db2.gz WFCVRVIUIGNWIQ-CYBMUJFWSA-N 1 0 269.392 3.307 20 10 CGCDRO CN1CCCc2cc(C[NH2+][C@@H]3CCCSCC3)ccc21 ZINC000709586947 800011114 /nfs/dbraw/zinc/01/11/14/800011114.db2.gz NTDHEPNEHVBISN-MRXNPFEDSA-N 1 0 290.476 3.444 20 10 CGCDRO C[C@H]([NH2+][C@@H](C1CCC1)[C@@H]1CCOC1)c1ccccc1O ZINC000711873247 800077816 /nfs/dbraw/zinc/07/78/16/800077816.db2.gz DHYUPQBNHPLVLD-QEORTHHSSA-N 1 0 275.392 3.248 20 10 CGCDRO CC[C@H]([NH2+][C@H]1C[C@@H](OC)C12CCC2)c1ccccc1O ZINC000713480978 800110952 /nfs/dbraw/zinc/11/09/52/800110952.db2.gz OEZJNFJHMCXZBG-CWRNSKLLSA-N 1 0 275.392 3.391 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](OC)C23CCC3)cc1C ZINC000713482009 800111176 /nfs/dbraw/zinc/11/11/76/800111176.db2.gz ZVROUAITFFGFDX-JKSUJKDBSA-N 1 0 275.392 3.051 20 10 CGCDRO Cc1cccc(C[NH2+]CC[C@@H]2CCCS2)c1O ZINC000715611499 800141267 /nfs/dbraw/zinc/14/12/67/800141267.db2.gz PLCUUPLQRGHHIT-ZDUSSCGKSA-N 1 0 251.395 3.076 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CCc2cccc(O)c21)c1ccns1 ZINC000715951524 800156233 /nfs/dbraw/zinc/15/62/33/800156233.db2.gz DVXQAAIGUVEMMY-KOLCDFICSA-N 1 0 260.362 3.187 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC(C)(C)CO2)c(O)c1 ZINC000717324157 800199150 /nfs/dbraw/zinc/19/91/50/800199150.db2.gz VJOZIQJNRVQTRS-STQMWFEESA-N 1 0 263.381 3.166 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CC2(C)CC(F)(F)C2)cc1 ZINC000720902816 800271030 /nfs/dbraw/zinc/27/10/30/800271030.db2.gz YUNNKRXHDKJXMJ-UHFFFAOYSA-N 1 0 268.351 3.278 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCO[C@H](C3CCC3)C2)cc1C ZINC000840175661 800497414 /nfs/dbraw/zinc/49/74/14/800497414.db2.gz LZFKSWPICWBPLZ-KRWDZBQOSA-N 1 0 275.392 3.010 20 10 CGCDRO C[C@@H]1CCC[C@H](C[NH2+]C/C=C/c2ccc(N(C)C)cc2)O1 ZINC000850379353 800517543 /nfs/dbraw/zinc/51/75/43/800517543.db2.gz MCYYJAUIURGKQS-KIAIAAEYSA-N 1 0 288.435 3.313 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCC[C@@H](F)C1 ZINC001118201781 802537645 /nfs/dbraw/zinc/53/76/45/802537645.db2.gz MZIUKRBCJXGBIU-HUUCEWRRSA-N 1 0 264.388 3.431 20 10 CGCDRO CC[C@@H](C)C[C@H](CO)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001118264711 802543218 /nfs/dbraw/zinc/54/32/18/802543218.db2.gz LZGGEWJKIUVQKQ-NVXWUHKLSA-N 1 0 290.451 3.174 20 10 CGCDRO CCCN(Cc1ccc(C)c(OC)n1)c1ccc(C[NH3+])cc1 ZINC001181454878 810053809 /nfs/dbraw/zinc/05/38/09/810053809.db2.gz HFISLVLTVNPUJP-UHFFFAOYSA-N 1 0 299.418 3.274 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2ccc(N)cc2)C[C@H](c2ccccc2)O1 ZINC001120370843 802742542 /nfs/dbraw/zinc/74/25/42/802742542.db2.gz HFCZNANCPHISME-RDTXWAMCSA-N 1 0 282.387 3.231 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCCN(C2CCCC2)C1)c1ccccc1O ZINC001256901447 807003254 /nfs/dbraw/zinc/00/32/54/807003254.db2.gz HLBJCTDFHNSWDX-GJZGRUSLSA-N 1 0 288.435 3.450 20 10 CGCDRO C[C@@H]1C[C@H](O)CC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC001138219763 803873946 /nfs/dbraw/zinc/87/39/46/803873946.db2.gz NCUDCGHIJOJTBD-CRAIPNDOSA-N 1 0 288.435 3.022 20 10 CGCDRO Cc1c(C[N@@H+]2CC[C@]3(C2)CCCOC3)c2ccccc2n1C ZINC001138258361 803883666 /nfs/dbraw/zinc/88/36/66/803883666.db2.gz QYODMPOIWCIFAD-IBGZPJMESA-N 1 0 298.430 3.489 20 10 CGCDRO Cc1c(C[N@@H+]2CCN(C)C(C)(C)C2)c2ccccc2n1C ZINC001138257916 803885099 /nfs/dbraw/zinc/88/50/99/803885099.db2.gz CSJOVXGJJUDNJZ-UHFFFAOYSA-N 1 0 285.435 3.013 20 10 CGCDRO Oc1c(C[N@@H+]2CCC3(CC3)C2)cc2c3c1CCCN3CCC2 ZINC001138338947 803899624 /nfs/dbraw/zinc/89/96/24/803899624.db2.gz XARNCRCTLCPRKZ-UHFFFAOYSA-N 1 0 298.430 3.077 20 10 CGCDRO CN1CCCc2cc(C[N@@H+]3CC4CCC3CC4)ccc21 ZINC001138357027 803900332 /nfs/dbraw/zinc/90/03/32/803900332.db2.gz ZIVAKSZBROQMCV-UHFFFAOYSA-N 1 0 270.420 3.443 20 10 CGCDRO Cc1cc(C[N@@H+]2CCC[C@](C)(O)[C@@H](C)C2)ccc1N(C)C ZINC001139669887 804248744 /nfs/dbraw/zinc/24/87/44/804248744.db2.gz QYOHNTGFQFMEOE-YJBOKZPZSA-N 1 0 290.451 3.044 20 10 CGCDRO CCCC[C@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)CC[NH2+]1 ZINC001246309380 804270754 /nfs/dbraw/zinc/27/07/54/804270754.db2.gz KJWYHQXHLUGYPV-IRXDYDNUSA-N 1 0 289.467 3.153 20 10 CGCDRO CSC1CC[NH+](Cc2c(C)ccc(C)c2O)CC1 ZINC001140182532 804396615 /nfs/dbraw/zinc/39/66/15/804396615.db2.gz UOKJCSOTSJOONW-UHFFFAOYSA-N 1 0 265.422 3.336 20 10 CGCDRO Cc1ccc(C)c(C[NH+]2CC3(C2)C[C@@H](F)CS3)c1O ZINC001140183390 804396700 /nfs/dbraw/zinc/39/67/00/804396700.db2.gz DUBFPTBXCREJOO-GFCCVEGCSA-N 1 0 281.396 3.038 20 10 CGCDRO COC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c(C)ccc(C)c1O ZINC001140183819 804396985 /nfs/dbraw/zinc/39/69/85/804396985.db2.gz JFIRYXXVSKDIAO-YIONKMFJSA-N 1 0 275.392 3.151 20 10 CGCDRO Oc1cc(Cl)ccc1C[NH+]1CCC2(C[C@H](F)CO2)CC1 ZINC001140465645 804442571 /nfs/dbraw/zinc/44/25/71/804442571.db2.gz POFYABZTJPGGOK-ZDUSSCGKSA-N 1 0 299.773 3.139 20 10 CGCDRO CC[N@H+](Cc1ccccn1)Cc1ccc(Cl)cc1O ZINC001140465944 804443290 /nfs/dbraw/zinc/44/32/90/804443290.db2.gz UYHQJPIDZDIQIM-UHFFFAOYSA-N 1 0 276.767 3.463 20 10 CGCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)c1O ZINC001140745739 804502678 /nfs/dbraw/zinc/50/26/78/804502678.db2.gz MZXXXSARPLQWRX-INIZCTEOSA-N 1 0 297.398 3.471 20 10 CGCDRO CCN(CC)c1ccc(C[NH+]2C[C@H]3CCC[C@@H]3C2)c(O)c1 ZINC001140850697 804533015 /nfs/dbraw/zinc/53/30/15/804533015.db2.gz REDBWUNHABDPPT-HUUCEWRRSA-N 1 0 288.435 3.470 20 10 CGCDRO CSCC[N@H+](C)Cc1ccc(N(C)C)cc1Cl ZINC001140926254 804550444 /nfs/dbraw/zinc/55/04/44/804550444.db2.gz JIMNCOCJUFISPK-UHFFFAOYSA-N 1 0 272.845 3.201 20 10 CGCDRO Cc1ccc(C[N@@H+]2C[C@@H](CF)[C@H](C(F)(F)F)C2)c(O)c1 ZINC001140948111 804556163 /nfs/dbraw/zinc/55/61/63/804556163.db2.gz UCBCAUIWJAZVCP-VXGBXAGGSA-N 1 0 291.288 3.280 20 10 CGCDRO Cc1ccc(C[N@@H+]2CC[C@@H](F)C(F)(F)CC2)c(O)c1 ZINC001140948517 804556766 /nfs/dbraw/zinc/55/67/66/804556766.db2.gz LHBJZQHWSNOBLK-CYBMUJFWSA-N 1 0 273.298 3.270 20 10 CGCDRO COc1cc(O)c(C[NH+]2[C@@H](C)CCC[C@@H]2C)c(OC)c1 ZINC001141031260 804574646 /nfs/dbraw/zinc/57/46/46/804574646.db2.gz AKEZPJKDYZCJGO-RYUDHWBXSA-N 1 0 279.380 3.172 20 10 CGCDRO CC(C)C1CC[NH+](Cc2ccc3c(c2)OCCN3C)CC1 ZINC001141144216 804596938 /nfs/dbraw/zinc/59/69/38/804596938.db2.gz WHMXAEPOYFZZDX-UHFFFAOYSA-N 1 0 288.435 3.383 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(-c2noc(CCC[NH3+])n2)cc1 ZINC001247428806 804733537 /nfs/dbraw/zinc/73/35/37/804733537.db2.gz OJSIPVXBIVQCSS-UHFFFAOYSA-N 1 0 296.374 3.035 20 10 CGCDRO C[C@@H]1CO[C@@H]2C[N@H+](Cc3cccc(C(C)(C)C)c3O)C[C@H]12 ZINC001143112501 804804089 /nfs/dbraw/zinc/80/40/89/804804089.db2.gz TZALYBBJDLZTSW-XNRPHZJLSA-N 1 0 289.419 3.156 20 10 CGCDRO CO[C@@H](C)C1C[NH+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143116873 804805307 /nfs/dbraw/zinc/80/53/07/804805307.db2.gz MVIPXXBBAFIKGX-LBPRGKRZSA-N 1 0 277.408 3.156 20 10 CGCDRO CC[N@H+](Cc1ccccc1O)[C@@H](C)CCSC ZINC001258223483 807374174 /nfs/dbraw/zinc/37/41/74/807374174.db2.gz DIJONSQFLYBBIM-LBPRGKRZSA-N 1 0 253.411 3.356 20 10 CGCDRO Oc1ccccc1C[NH2+][C@H]1Cc2cccc(Cl)c2C1 ZINC001168686638 807478803 /nfs/dbraw/zinc/47/88/03/807478803.db2.gz ZNJSPQMPHRXVCP-ZDUSSCGKSA-N 1 0 273.763 3.303 20 10 CGCDRO CCN(C)c1ccc(CN2C[C@H](C)[N@H+](CC)C[C@@H]2C)cc1 ZINC001168839526 807523753 /nfs/dbraw/zinc/52/37/53/807523753.db2.gz VDNBTPCYVSAKHI-HOTGVXAUSA-N 1 0 289.467 3.057 20 10 CGCDRO Cc1ccc2c(c1)C[C@H]([NH2+]Cc1ccccc1O)CC2 ZINC001172825711 808447111 /nfs/dbraw/zinc/44/71/11/808447111.db2.gz HYBGOUYFYGUCFT-QGZVFWFLSA-N 1 0 267.372 3.348 20 10 CGCDRO CCCC[C@H](CC(C)C)[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC001173253168 808560908 /nfs/dbraw/zinc/56/09/08/808560908.db2.gz NUQCXGSZECKAGI-CQSZACIVSA-N 1 0 293.407 3.475 20 10 CGCDRO CCCC[C@@H](CC(C)C)[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC001173253165 808561021 /nfs/dbraw/zinc/56/10/21/808561021.db2.gz NUQCXGSZECKAGI-AWEZNQCLSA-N 1 0 293.407 3.475 20 10 CGCDRO CC[C@H]1CC[C@H]([NH+]2CCN(c3ccc(OC)cc3)CC2)C1 ZINC001173273647 808576856 /nfs/dbraw/zinc/57/68/56/808576856.db2.gz NUYZFONVEUNUSI-RDJZCZTQSA-N 1 0 288.435 3.396 20 10 CGCDRO CC[C@@H]1CC[C@H]([NH+]2CCN(c3ccc(OC)cc3)CC2)C1 ZINC001173273648 808577107 /nfs/dbraw/zinc/57/71/07/808577107.db2.gz NUYZFONVEUNUSI-WBVHZDCISA-N 1 0 288.435 3.396 20 10 CGCDRO C[C@@H]([NH2+]C1Cc2cc(F)c(F)cc2C1)c1ccccc1O ZINC001173472027 808642416 /nfs/dbraw/zinc/64/24/16/808642416.db2.gz BRWPDQKJNFBPNB-SNVBAGLBSA-N 1 0 289.325 3.488 20 10 CGCDRO CC(C)(C)c1cc(N(CCO)c2ccc(N)cc2)cc[nH+]1 ZINC001213166516 815249184 /nfs/dbraw/zinc/24/91/84/815249184.db2.gz GPCPVEOGSLPWIW-UHFFFAOYSA-N 1 0 285.391 3.092 20 10 CGCDRO Cc1cc(Nc2cc(Br)ccc2O)cc(C)[nH+]1 ZINC001176053006 809608693 /nfs/dbraw/zinc/60/86/93/809608693.db2.gz YTHIFKZUPIPAEV-UHFFFAOYSA-N 1 0 293.164 3.332 20 10 CGCDRO COc1ccc(C[NH2+]CCc2ccccc2O)cc1C ZINC001177590178 809811141 /nfs/dbraw/zinc/81/11/41/809811141.db2.gz GSZYPYDTHNBOIY-UHFFFAOYSA-N 1 0 271.360 3.042 20 10 CGCDRO CO[C@@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)C(C)(C)C ZINC001177928858 809833048 /nfs/dbraw/zinc/83/30/48/809833048.db2.gz QKZVDOSJEQWLOP-KRWDZBQOSA-N 1 0 290.451 3.438 20 10 CGCDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1ccc(F)cn1 ZINC001177990752 809837171 /nfs/dbraw/zinc/83/71/71/809837171.db2.gz CJHGOFOVTHQEQL-UHFFFAOYSA-N 1 0 283.350 3.311 20 10 CGCDRO CO[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)C12CCC2 ZINC001178916206 809893952 /nfs/dbraw/zinc/89/39/52/809893952.db2.gz BSSNRIZNAJZCMV-IRXDYDNUSA-N 1 0 287.403 3.059 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2cccc3cc[nH]c32)c(O)c1 ZINC001180908709 810026910 /nfs/dbraw/zinc/02/69/10/810026910.db2.gz XAKYGEWMSMIHSP-UHFFFAOYSA-N 1 0 266.344 3.472 20 10 CGCDRO COc1cc(C)c(C[NH2+]CC(C)(C)C(C)C)c(O)c1 ZINC001180985392 810030995 /nfs/dbraw/zinc/03/09/95/810030995.db2.gz KZVKXLBAEOHZHC-UHFFFAOYSA-N 1 0 265.397 3.481 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CCC[C@@H](OC(C)C)C2)c(O)c1 ZINC001182726323 810121470 /nfs/dbraw/zinc/12/14/70/810121470.db2.gz RGVYKJNMKMUYCL-CQSZACIVSA-N 1 0 293.407 3.099 20 10 CGCDRO CNc1ccc(C)cc1C[NH2+]Cc1cc(C)ccc1O ZINC001182961256 810132201 /nfs/dbraw/zinc/13/22/01/810132201.db2.gz XXLXLVHGTLQXCH-UHFFFAOYSA-N 1 0 270.376 3.341 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+][C@]23CCC[C@H]2OCC3)c1 ZINC001183481764 810149976 /nfs/dbraw/zinc/14/99/76/810149976.db2.gz IGYASMINLOJUQC-SJORKVTESA-N 1 0 275.392 3.317 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)cc1C ZINC001200971427 811777362 /nfs/dbraw/zinc/77/73/62/811777362.db2.gz MKDJQZJLLGKHIX-UXLLHSPISA-N 1 0 275.392 3.051 20 10 CGCDRO COc1ccc(C[NH2+]CCC[C@@H]2CCCCO2)cc1C ZINC001201909766 811974109 /nfs/dbraw/zinc/97/41/09/811974109.db2.gz BQMUWEIXIJKCLK-INIZCTEOSA-N 1 0 277.408 3.443 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@@H](C)[C@H](C)OC)cc1C ZINC001202017569 811998896 /nfs/dbraw/zinc/99/88/96/811998896.db2.gz FSMNKEUVKGJCFW-KBPBESRZSA-N 1 0 265.397 3.297 20 10 CGCDRO Oc1ccccc1C[NH+]1CCC(Cc2ccncc2)CC1 ZINC001203558744 812392424 /nfs/dbraw/zinc/39/24/24/812392424.db2.gz ZRGZBWJAGALZJX-UHFFFAOYSA-N 1 0 282.387 3.242 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CCC[C@H](F)CC2)c1O ZINC001203602403 812405585 /nfs/dbraw/zinc/40/55/85/812405585.db2.gz UZOLZYCRQZCYEI-ZDUSSCGKSA-N 1 0 267.344 3.115 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](C)C(F)(F)CC2)c1 ZINC001203670392 812425298 /nfs/dbraw/zinc/42/52/98/812425298.db2.gz QMCWAGIUGQYEFL-LLVKDONJSA-N 1 0 285.334 3.268 20 10 CGCDRO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+]Cc1c(O)cccc1Br ZINC001203727600 812443209 /nfs/dbraw/zinc/44/32/09/812443209.db2.gz NFHRDAWEBHCALX-ORXSELOVSA-N 1 0 296.208 3.289 20 10 CGCDRO COc1ccc([C@@H]2CC[N@H+](Cc3ccc(O)c(O)c3)C2)cc1 ZINC001203880545 812478376 /nfs/dbraw/zinc/47/83/76/812478376.db2.gz VJPHBZVCVSVBGI-OAHLLOKOSA-N 1 0 299.370 3.096 20 10 CGCDRO CN(C)c1ccc(C[NH+]2CCC(C)(F)CC2)cc1 ZINC001203929881 812494738 /nfs/dbraw/zinc/49/47/38/812494738.db2.gz HYURFPDXDDWGQL-UHFFFAOYSA-N 1 0 250.361 3.077 20 10 CGCDRO C[C@@H]1CCC[C@@H]1[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001203969705 812504463 /nfs/dbraw/zinc/50/44/63/812504463.db2.gz ZLZRWBRKDQBVMK-FHLIZLRMSA-N 1 0 289.467 3.134 20 10 CGCDRO CC[N@H+](Cc1ccc(N(C)C)c2ccccc12)C1CN(C)C1 ZINC001204240267 812581114 /nfs/dbraw/zinc/58/11/14/812581114.db2.gz MVJMTYCPAOAJCD-UHFFFAOYSA-N 1 0 297.446 3.042 20 10 CGCDRO CC(C)[C@H]1COCC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001204323036 812612358 /nfs/dbraw/zinc/61/23/58/812612358.db2.gz ZLEGAHBHRCKJEC-GOSISDBHSA-N 1 0 288.435 3.144 20 10 CGCDRO C[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001204325111 812612619 /nfs/dbraw/zinc/61/26/19/812612619.db2.gz QXUVLYGWCHZFGS-HIFRSBDPSA-N 1 0 262.372 3.219 20 10 CGCDRO CC(C)c1ccc(O)c(CN2CCC[C@@H]2c2ncon2)c1 ZINC001204916685 812774556 /nfs/dbraw/zinc/77/45/56/812774556.db2.gz RQABFPXXGCMKLJ-CQSZACIVSA-N 1 0 287.363 3.236 20 10 CGCDRO COc1cccnc1C[NH2+]Cc1cc(C(C)C)ccc1O ZINC001206299690 813277867 /nfs/dbraw/zinc/27/78/67/813277867.db2.gz GEWMLKOBSQIULX-UHFFFAOYSA-N 1 0 286.375 3.209 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)C[C@@H]2C[C@H]3C=C[C@@H]2C3)cc1 ZINC001207632938 813621470 /nfs/dbraw/zinc/62/14/70/813621470.db2.gz WDCXQBUZUNMACW-BBWFWOEESA-N 1 0 270.420 3.397 20 10 CGCDRO C[C@H](CC1CC1)[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001207748947 813644806 /nfs/dbraw/zinc/64/48/06/813644806.db2.gz RQOZYVGIVFFCMW-KDOFPFPSSA-N 1 0 289.467 3.134 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(C[N@H+](C)CC2COC2)cc1 ZINC001209520218 814072632 /nfs/dbraw/zinc/07/26/32/814072632.db2.gz QWRVMMGNZUWBNK-UHFFFAOYSA-N 1 0 284.403 3.172 20 10 CGCDRO Cc1ccc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)[nH]1 ZINC001209579176 814090269 /nfs/dbraw/zinc/09/02/69/814090269.db2.gz SRRIMYXXFQXPPW-UHFFFAOYSA-N 1 0 257.381 3.021 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(CN2CC[NH2+][C@H](C)CC2)cc1 ZINC001210474063 814477766 /nfs/dbraw/zinc/47/77/66/814477766.db2.gz DCSOAUPVJHJEGW-OAHLLOKOSA-N 1 0 297.446 3.278 20 10 CGCDRO C[C@@H]1CC[C@H](C)[C@@H](Oc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001218291557 816154833 /nfs/dbraw/zinc/15/48/33/816154833.db2.gz OYIHCFRIGCAKQM-VKJFTORMSA-N 1 0 288.435 3.300 20 10 CGCDRO CC(C)(C)c1ccc(CN2CC[C@]23CCC[NH2+]C3)c(O)c1 ZINC001222198984 816373997 /nfs/dbraw/zinc/37/39/97/816373997.db2.gz ZEVBCODICLRXHU-SFHVURJKSA-N 1 0 288.435 3.018 20 10 CGCDRO Oc1cc2ccccc2cc1CN1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001222361351 816420055 /nfs/dbraw/zinc/42/00/55/816420055.db2.gz YTQUNJZMFGCFIG-IBGZPJMESA-N 1 0 296.414 3.263 20 10 CGCDRO CN(C)c1ccc(OC2CC[NH+](C(C)(C)C)CC2)cc1 ZINC001227938595 817759315 /nfs/dbraw/zinc/75/93/15/817759315.db2.gz AEIVMTLWFLJQTF-UHFFFAOYSA-N 1 0 276.424 3.394 20 10 CGCDRO Cc1cccc(C[N@@H+]2C[C@@H](CF)[C@H](C(F)(F)F)C2)c1O ZINC001231591039 818131328 /nfs/dbraw/zinc/13/13/28/818131328.db2.gz QXGAPVUOHQJMND-VXGBXAGGSA-N 1 0 291.288 3.280 20 10 CGCDRO COc1cc(C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)c(O)cc1O ZINC001231638425 818144036 /nfs/dbraw/zinc/14/40/36/818144036.db2.gz AWUWRKQYTANJEZ-CHWSQXEVSA-N 1 0 291.391 3.119 20 10 CGCDRO COC[C@@H]1CCCC[N@@H+]1Cc1c(C)cc(C)cc1O ZINC001231841973 818185926 /nfs/dbraw/zinc/18/59/26/818185926.db2.gz IXBDULYNEOACSE-AWEZNQCLSA-N 1 0 263.381 3.010 20 10 CGCDRO Cc1cc(C)c(C[N@H+](C)Cc2cccc(O)c2)c(O)c1 ZINC001231843411 818186488 /nfs/dbraw/zinc/18/64/88/818186488.db2.gz YKAWKFBRNSNBRP-UHFFFAOYSA-N 1 0 271.360 3.347 20 10 CGCDRO Cc1cc(C)c(C[N@@H+]2CC[C@H](Oc3ccccn3)C2)c(O)c1 ZINC001231848735 818187629 /nfs/dbraw/zinc/18/76/29/818187629.db2.gz KNBRPXIYZVBEMG-HNNXBMFYSA-N 1 0 298.386 3.057 20 10 CGCDRO Cc1cc(C)c(C[N@@H+]2CCn3cccc3[C@H]2C)c(O)c1 ZINC001231848702 818187861 /nfs/dbraw/zinc/18/78/61/818187861.db2.gz JMWHPTOUUINVDG-CQSZACIVSA-N 1 0 270.376 3.387 20 10 CGCDRO Cc1cc(C)c(C[N@H+]2CCN(C)CC23CCCC3)c(O)c1 ZINC001231850449 818188686 /nfs/dbraw/zinc/18/86/86/818188686.db2.gz PVLIAKWGZPRNJV-UHFFFAOYSA-N 1 0 288.435 3.069 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@](C)(O)[C@H](C)C2)cc1Cl ZINC001231867963 818192402 /nfs/dbraw/zinc/19/24/02/818192402.db2.gz OTYCZOPBUZYWNH-WBMJQRKESA-N 1 0 297.826 3.337 20 10 CGCDRO Cc1cc(O)c(CN2CC([NH+]3CCCCC3)C2)cc1Cl ZINC001231870120 818194252 /nfs/dbraw/zinc/19/42/52/818194252.db2.gz KCHBZCLHESFXMH-UHFFFAOYSA-N 1 0 294.826 3.024 20 10 CGCDRO COC(=O)CC[N@H+](Cc1ccc2ccccc2c1O)C1CC1 ZINC001231881999 818198755 /nfs/dbraw/zinc/19/87/55/818198755.db2.gz DAWVMCMHHIUKDP-UHFFFAOYSA-N 1 0 299.370 3.073 20 10 CGCDRO CC(C)[N@H+](CCCO)Cc1ccc2ccccc2c1O ZINC001231881863 818199679 /nfs/dbraw/zinc/19/96/79/818199679.db2.gz KAZSUICXQUUZMW-UHFFFAOYSA-N 1 0 273.376 3.138 20 10 CGCDRO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1ccc2ccccc2c1O ZINC001231879946 818199719 /nfs/dbraw/zinc/19/97/19/818199719.db2.gz XYNUOPIDPWNZCQ-GOSISDBHSA-N 1 0 299.370 3.073 20 10 CGCDRO C[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccc2ccccc2c1O ZINC001231879339 818200628 /nfs/dbraw/zinc/20/06/28/818200628.db2.gz BSEKUBYWFUZMCE-RISCZKNCSA-N 1 0 259.324 3.478 20 10 CGCDRO Oc1c(C[N@@H+]2CCC[C@@H]2CF)ccc2ccccc21 ZINC001231883790 818201457 /nfs/dbraw/zinc/20/14/57/818201457.db2.gz PEUFHRQIZKQLAQ-CQSZACIVSA-N 1 0 259.324 3.479 20 10 CGCDRO CCN1CC[N@H+](Cc2ccc3ccccc3c2O)C(C)(C)C1 ZINC001231883369 818202631 /nfs/dbraw/zinc/20/26/31/818202631.db2.gz IVOLMEVNCPLHKV-UHFFFAOYSA-N 1 0 298.430 3.462 20 10 CGCDRO [O-]c1c(Cl)cccc1C[NH+]1CCC2(CC2)CC1 ZINC001231910855 818208473 /nfs/dbraw/zinc/20/84/73/818208473.db2.gz UCBDAMIBSQLMOV-UHFFFAOYSA-N 1 0 251.757 3.422 20 10 CGCDRO CC[N@H+](Cc1cc2ccncc2[nH]1)Cc1ccccc1O ZINC001232096174 818253163 /nfs/dbraw/zinc/25/31/63/818253163.db2.gz XSGLWSWZQXMBPM-UHFFFAOYSA-N 1 0 281.359 3.291 20 10 CGCDRO CCC[N@H+](Cc1cc(Cl)c(O)cc1O)C1CCOCC1 ZINC001232263246 818296840 /nfs/dbraw/zinc/29/68/40/818296840.db2.gz LOTRGLRTANBJIF-UHFFFAOYSA-N 1 0 299.798 3.142 20 10 CGCDRO CCOc1ccnc(C[N@H+](CC)Cc2ccccc2O)c1 ZINC001232585068 818391689 /nfs/dbraw/zinc/39/16/89/818391689.db2.gz YIQFMITUVKQMPP-UHFFFAOYSA-N 1 0 286.375 3.208 20 10 CGCDRO CN(C)c1ccc(C[NH+]2C[C@H]3CCCC[C@@H]3C2)c(O)c1 ZINC001232835325 818452244 /nfs/dbraw/zinc/45/22/44/818452244.db2.gz AQJSGCRMXWICOG-ZIAGYGMSSA-N 1 0 274.408 3.080 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@](C)(F)CC2)c(O)c1 ZINC001232835124 818452462 /nfs/dbraw/zinc/45/24/62/818452462.db2.gz WTKABDSDJZOILH-MRXNPFEDSA-N 1 0 280.387 3.172 20 10 CGCDRO Cc1ccc2c(c1)C[N@H+](Cc1ccc(N(C)C)cc1O)CC2 ZINC001232835202 818452489 /nfs/dbraw/zinc/45/24/89/818452489.db2.gz ZNUUXMCMROWYLQ-UHFFFAOYSA-N 1 0 296.414 3.325 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)c(O)c1 ZINC001232841690 818453019 /nfs/dbraw/zinc/45/30/19/818453019.db2.gz OOLGIOPBZWMNAV-HUUCEWRRSA-N 1 0 288.435 3.470 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)CCc2cccs2)c(O)c1 ZINC001232838954 818453698 /nfs/dbraw/zinc/45/36/98/818453698.db2.gz KXGGHNVBRRLPOF-UHFFFAOYSA-N 1 0 290.432 3.194 20 10 CGCDRO CC[C@@H]1c2ccccc2CCN1Cc1cc(O)c(O)c(O)c1 ZINC001233015293 818502219 /nfs/dbraw/zinc/50/22/19/818502219.db2.gz ITKQEXXWGLHCFR-OAHLLOKOSA-N 1 0 299.370 3.313 20 10 CGCDRO C[C@H]1C[NH+](Cc2cc(C(C)(C)C)ccc2O)C[C@H](C)O1 ZINC001233283819 818565416 /nfs/dbraw/zinc/56/54/16/818565416.db2.gz XDOXPLJUFDUQPY-STQMWFEESA-N 1 0 277.408 3.299 20 10 CGCDRO CC(C)[N@H+](CCCO)Cc1cc(C(C)(C)C)ccc1O ZINC001233286550 818567450 /nfs/dbraw/zinc/56/74/50/818567450.db2.gz YJLIMBBCCPTGJB-UHFFFAOYSA-N 1 0 279.424 3.283 20 10 CGCDRO CC[N@H+](Cc1sncc1C)Cc1ccccc1O ZINC001233321864 818580129 /nfs/dbraw/zinc/58/01/29/818580129.db2.gz HKOWOIVYNZWKBK-UHFFFAOYSA-N 1 0 262.378 3.179 20 10 CGCDRO C[N@H+](Cc1cccnc1)Cc1ccc(C(F)(F)F)cc1O ZINC001233451623 818624105 /nfs/dbraw/zinc/62/41/05/818624105.db2.gz SBJZHJFVYABEBX-UHFFFAOYSA-N 1 0 296.292 3.438 20 10 CGCDRO Oc1c(C[NH+]2CC3(CCC3)C2)cccc1OC(F)(F)F ZINC001233737040 818694140 /nfs/dbraw/zinc/69/41/40/818694140.db2.gz UNACLQBKSNXKOC-UHFFFAOYSA-N 1 0 287.281 3.277 20 10 CGCDRO Oc1c(C[N@@H+]2CCC[C@@H](F)C2)cccc1OC(F)(F)F ZINC001233754855 818698065 /nfs/dbraw/zinc/69/80/65/818698065.db2.gz NBGMENVDAQVYIB-SNVBAGLBSA-N 1 0 293.260 3.225 20 10 CGCDRO CC(C)(C)c1ccc(O)c(CN2C[C@H]3CCC[C@@]3([NH3+])C2)c1 ZINC001235244737 819046686 /nfs/dbraw/zinc/04/66/86/819046686.db2.gz IHPOACIIGLMOAL-CRAIPNDOSA-N 1 0 288.435 3.003 20 10 CGCDRO Cc1cc(CN2CCC[C@H]3[NH2+]C[C@@H]32)c(C)n1-c1ccccc1 ZINC001235301145 819064840 /nfs/dbraw/zinc/06/48/40/819064840.db2.gz RIXJESRXPSLPBO-MOPGFXCFSA-N 1 0 295.430 3.030 20 10 CGCDRO CC[N@H+](CCOC)Cc1ccc(C(C)(C)C)cc1O ZINC001235673892 819135495 /nfs/dbraw/zinc/13/54/95/819135495.db2.gz BBGFSFHCQLAOKF-UHFFFAOYSA-N 1 0 265.397 3.158 20 10 CGCDRO CC(C)(C)c1ccc(C[NH+]2CC3(C2)CCOCC3)c(O)c1 ZINC001235681648 819140214 /nfs/dbraw/zinc/14/02/14/819140214.db2.gz BGRIYWVYZKJOOF-UHFFFAOYSA-N 1 0 289.419 3.302 20 10 CGCDRO CC(C)(C)c1ccc(C[N@@H+]2CCCC(=O)CC2)c(O)c1 ZINC001235684521 819141464 /nfs/dbraw/zinc/14/14/64/819141464.db2.gz YDRSJAQTZYNQKJ-UHFFFAOYSA-N 1 0 275.392 3.245 20 10 CGCDRO C[N@H+](Cc1cnccn1)Cc1ccc(C(C)(C)C)cc1O ZINC001235684886 819141930 /nfs/dbraw/zinc/14/19/30/819141930.db2.gz LAOCXUXXRSTCBV-UHFFFAOYSA-N 1 0 285.391 3.112 20 10 CGCDRO CC(C)(C)c1ccc(C[N@@H+]2CCOCC2(C)C)c(O)c1 ZINC001235686207 819142443 /nfs/dbraw/zinc/14/24/43/819142443.db2.gz YOZIRIBLUJCMEW-UHFFFAOYSA-N 1 0 277.408 3.301 20 10 CGCDRO Nc1ccc(C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)cc1 ZINC001235949535 819238926 /nfs/dbraw/zinc/23/89/26/819238926.db2.gz NZZUDGSZTLLOGP-OAHLLOKOSA-N 1 0 270.351 3.397 20 10 CGCDRO CCN(Cc1ccc(C(C)(C)C)cc1O)[C@H]1CCC[NH2+]C1 ZINC001236009010 819272687 /nfs/dbraw/zinc/27/26/87/819272687.db2.gz KMSUFEUAQCRVAL-INIZCTEOSA-N 1 0 290.451 3.264 20 10 CGCDRO CN(Cc1cccc(C(C)(C)C)c1O)[C@]1(C)CCC[NH2+]C1 ZINC001236205257 819367190 /nfs/dbraw/zinc/36/71/90/819367190.db2.gz CVQBWRBODFNEND-GOSISDBHSA-N 1 0 290.451 3.264 20 10 CGCDRO Cc1cc(CN2CCC[C@@H]([NH3+])[C@@H]2C)c(C)n1-c1ccccc1 ZINC001236421654 819467812 /nfs/dbraw/zinc/46/78/12/819467812.db2.gz RNYSYKBCZXTNGF-QFBILLFUSA-N 1 0 297.446 3.406 20 10 CGCDRO CCc1ccc(C[N@H+]2C[C@H]3[C@H](CC3(F)F)C2)c(O)c1 ZINC001236786834 819595553 /nfs/dbraw/zinc/59/55/53/819595553.db2.gz QOTPESYUEYARBF-OLZOCXBDSA-N 1 0 267.319 3.042 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CCC[C@H](F)CC2)c(O)c1 ZINC001236807363 819601722 /nfs/dbraw/zinc/60/17/22/819601722.db2.gz GIGCWZCXYWKVMJ-LBPRGKRZSA-N 1 0 267.344 3.033 20 10 CGCDRO CCC1CC[NH+](Cc2c(C)cc(OC)cc2O)CC1 ZINC001236808057 819602586 /nfs/dbraw/zinc/60/25/86/819602586.db2.gz LDTDZGJFEGQASN-UHFFFAOYSA-N 1 0 263.381 3.331 20 10 CGCDRO COc1cc(C)c(C[NH+]2CCC3(CCC3)CC2)c(O)c1 ZINC001236809236 819603805 /nfs/dbraw/zinc/60/38/05/819603805.db2.gz UWBCLWXRMMKWFO-UHFFFAOYSA-N 1 0 275.392 3.475 20 10 CGCDRO COCC[C@@H]1CCCC[N@@H+]1Cc1c(C)cc(OC)cc1O ZINC001236812343 819604948 /nfs/dbraw/zinc/60/49/48/819604948.db2.gz COFDNNPKJASFPR-AWEZNQCLSA-N 1 0 293.407 3.100 20 10 CGCDRO COc1cc(C)c(C[NH+]2Cc3ccccc3C2)c(O)c1 ZINC001236817061 819606448 /nfs/dbraw/zinc/60/64/48/819606448.db2.gz CHLMLKIQPMRCJC-UHFFFAOYSA-N 1 0 269.344 3.225 20 10 CGCDRO C[C@H]1CC[N@H+](Cc2cc3ccccc3cc2O)CC[C@@H]1O ZINC001236826736 819609353 /nfs/dbraw/zinc/60/93/53/819609353.db2.gz MBDWBMOJZGLSBQ-GUYCJALGSA-N 1 0 285.387 3.138 20 10 CGCDRO CCC[N@H+](C)Cc1ccc(N2CCOCC2)cc1Cl ZINC001236928051 819637890 /nfs/dbraw/zinc/63/78/90/819637890.db2.gz GPCATKXUGNMNGE-UHFFFAOYSA-N 1 0 282.815 3.018 20 10 CGCDRO C[C@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1Cl ZINC001236928084 819638099 /nfs/dbraw/zinc/63/80/99/819638099.db2.gz GYGGJAPJTLTUAG-ZDUSSCGKSA-N 1 0 294.826 3.161 20 10 CGCDRO Clc1cc(N2CCOCC2)ccc1C[NH+]1CCCCC1 ZINC001236928462 819638545 /nfs/dbraw/zinc/63/85/45/819638545.db2.gz LTAYILMARVLXOD-UHFFFAOYSA-N 1 0 294.826 3.163 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2CCC[C@@H](N(C)C)C2)c(O)c1 ZINC001237053900 819654943 /nfs/dbraw/zinc/65/49/43/819654943.db2.gz QRSLHAKCHPNTLO-MRXNPFEDSA-N 1 0 276.424 3.042 20 10 CGCDRO Oc1ccc(F)c(Cl)c1C[N@@H+]1CCC2(C1)CCOCC2 ZINC001237127019 819672798 /nfs/dbraw/zinc/67/27/98/819672798.db2.gz SEZFEOGZAZQQHP-UHFFFAOYSA-N 1 0 299.773 3.187 20 10 CGCDRO Oc1ccc(Cl)cc1CN(C1CCC1)[C@H]1CCC[NH2+]C1 ZINC001237147790 819679959 /nfs/dbraw/zinc/67/99/59/819679959.db2.gz YFMZNFJVFYHRFR-HNNXBMFYSA-N 1 0 294.826 3.152 20 10 CGCDRO Cc1cccc(O)c1C[NH+]1CCC2(CC(F)(F)CO2)CC1 ZINC001237484550 819762574 /nfs/dbraw/zinc/76/25/74/819762574.db2.gz FAFQEIGUAKGWFO-UHFFFAOYSA-N 1 0 297.345 3.091 20 10 CGCDRO Cc1cccc(O)c1C[N@H+]1CCC(=O)[C@H](C)C12CCCC2 ZINC001237495206 819763662 /nfs/dbraw/zinc/76/36/62/819763662.db2.gz NGPMYKIKDIVQOQ-AWEZNQCLSA-N 1 0 287.403 3.424 20 10 CGCDRO Cc1ccc(O[C@@H]2CC[N@H+](Cc3c(C)cccc3O)C2)nc1 ZINC001237495240 819763838 /nfs/dbraw/zinc/76/38/38/819763838.db2.gz NQHYUDXWGZTXCJ-OAHLLOKOSA-N 1 0 298.386 3.057 20 10 CGCDRO Cc1cccc(O[C@H]2CC[N@H+](Cc3c(C)cccc3O)C2)n1 ZINC001237496470 819763975 /nfs/dbraw/zinc/76/39/75/819763975.db2.gz YTZDYZTWPZQNKF-HNNXBMFYSA-N 1 0 298.386 3.057 20 10 CGCDRO Cc1cc(Cl)cc(C[NH+]2CCC3(CCCO3)CC2)c1O ZINC001237686054 819805692 /nfs/dbraw/zinc/80/56/92/819805692.db2.gz GKTDXNFNKRYUJH-UHFFFAOYSA-N 1 0 295.810 3.499 20 10 CGCDRO Cc1cc(N(C)C)ncc1-c1[nH+]ccc2c1ccn2C ZINC001241228792 821653506 /nfs/dbraw/zinc/65/35/06/821653506.db2.gz QDEPTGXWMGLHFM-UHFFFAOYSA-N 1 0 266.348 3.010 20 10 CGCDRO C[NH2+][C@H](C)CC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC001326034898 928265733 /nfs/dbraw/zinc/26/57/33/928265733.db2.gz BEAWKYQKCBLNRN-ZJUUUORDSA-N 1 0 290.329 3.060 20 10 CGCDRO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000399505273 928807651 /nfs/dbraw/zinc/80/76/51/928807651.db2.gz LWXQZZWLNNMTAT-IINYFYTJSA-N 1 0 279.355 3.354 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@H]3[C@H](C2)C3(F)F)cc1 ZINC001459800506 937500831 /nfs/dbraw/zinc/50/08/31/937500831.db2.gz SIVDOOFYQWTSJI-CABCVRRESA-N 1 0 280.362 3.230 20 10 CGCDRO Cc1ccc(C)c(C[N@@H+]2CCC(=O)[C@H]3CCCC[C@H]32)c1O ZINC001140178409 931957404 /nfs/dbraw/zinc/95/74/04/931957404.db2.gz KXTFECYRJBUELE-GOEBONIOSA-N 1 0 287.403 3.343 20 10 CGCDRO COc1ccc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c(O)c1 ZINC000179951393 932016262 /nfs/dbraw/zinc/01/62/62/932016262.db2.gz UAQMMBVIXKUOKV-LLVKDONJSA-N 1 0 289.297 3.175 20 10 CGCDRO CC[C@@H](C)[C@H](C[N@H+](C)Cc1ccc(N(C)C)cc1)OC ZINC001461838641 937601148 /nfs/dbraw/zinc/60/11/48/937601148.db2.gz OPVAOJXUQMMKLY-PBHICJAKSA-N 1 0 278.440 3.246 20 10 CGCDRO CC[NH+](CC)CCN(Cc1cc(F)ccc1O)CC(C)C ZINC001461958365 937609266 /nfs/dbraw/zinc/60/92/66/937609266.db2.gz VSBDYZZERRIWDT-UHFFFAOYSA-N 1 0 296.430 3.331 20 10 CGCDRO COC1(C[NH2+][C@@H](C)Cc2ccc(N(C)C)cc2C)CCC1 ZINC001462353770 937634903 /nfs/dbraw/zinc/63/49/03/937634903.db2.gz GHJAIHZPRWPZJO-HNNXBMFYSA-N 1 0 290.451 3.151 20 10 CGCDRO Cc1cc(C[N@@H+]2CC(C)(C)CC[C@@H]2CO)ccc1N(C)C ZINC001307955112 933025357 /nfs/dbraw/zinc/02/53/57/933025357.db2.gz WTMJDAGRZAQRJB-MRXNPFEDSA-N 1 0 290.451 3.044 20 10 CGCDRO Cc1cc(C[NH2+]C2([C@H]3CCCO3)CCC2)ccc1N(C)C ZINC001308161482 933061685 /nfs/dbraw/zinc/06/16/85/933061685.db2.gz QLAPSJWNWZBNCV-QGZVFWFLSA-N 1 0 288.435 3.252 20 10 CGCDRO c1ccc(C[C@H]2C[C@H]2[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC001308275068 933085901 /nfs/dbraw/zinc/08/59/01/933085901.db2.gz XPQIAIBSEZSYHG-ZWKOTPCHSA-N 1 0 279.383 3.342 20 10 CGCDRO CCCOc1ccc(C[NH2+]CCN2CCC[C@@H]2C)cc1C ZINC001308292027 933090439 /nfs/dbraw/zinc/09/04/39/933090439.db2.gz CPXUURGWIDYYTI-INIZCTEOSA-N 1 0 290.451 3.358 20 10 CGCDRO c1cc(C[NH2+]CC2(CC3CC3)CC2)cc2c1OCC2 ZINC001308504569 933122059 /nfs/dbraw/zinc/12/20/59/933122059.db2.gz ZGZLZDGHFAHCKG-UHFFFAOYSA-N 1 0 257.377 3.291 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+][C@@H]1C[C@H]2CCC[C@H]21 ZINC001308548159 933129452 /nfs/dbraw/zinc/12/94/52/933129452.db2.gz WOBXBKIWXXSYHM-GIPNMCIBSA-N 1 0 251.757 3.324 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+]C[C@@H]2CCCOC2)c1 ZINC001308729660 933166339 /nfs/dbraw/zinc/16/63/39/933166339.db2.gz XDWXFTPIOHFVBL-ZDUSSCGKSA-N 1 0 263.381 3.032 20 10 CGCDRO CO[C@@](C)([C@@H](C)[NH2+]Cc1ccc(Cl)cc1O)C1CC1 ZINC001308821536 933184010 /nfs/dbraw/zinc/18/40/10/933184010.db2.gz SEZOZUCWZQTIOK-BMIGLBTASA-N 1 0 283.799 3.339 20 10 CGCDRO CC(C)C[C@@H](CO)[NH2+]Cc1cc(C(C)C)ccc1O ZINC001308854008 933190391 /nfs/dbraw/zinc/19/03/91/933190391.db2.gz JGIYIHAJPMBSBF-HNNXBMFYSA-N 1 0 265.397 3.012 20 10 CGCDRO CC(C)CC[C@@H](CO)[NH2+]Cc1ccc2ccccc2c1O ZINC001308866671 933192460 /nfs/dbraw/zinc/19/24/60/933192460.db2.gz YBXQQGUFKXMJFJ-INIZCTEOSA-N 1 0 287.403 3.432 20 10 CGCDRO CCOc1ccc(N2CC[NH+]([C@H]3C=CCCC3)CC2)cc1 ZINC001319848486 933944873 /nfs/dbraw/zinc/94/48/73/933944873.db2.gz YNMQDLANKZJKPU-INIZCTEOSA-N 1 0 286.419 3.316 20 10 CGCDRO CCN(C)c1ccc(C[NH2+][C@H](C)c2cnn(C)c2C)cc1 ZINC001322120822 934248211 /nfs/dbraw/zinc/24/82/11/934248211.db2.gz FJLHHRQSXHYCON-CYBMUJFWSA-N 1 0 286.423 3.035 20 10 CGCDRO CC[C@H](C[C@H](C)CO)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001322145109 934252624 /nfs/dbraw/zinc/25/26/24/934252624.db2.gz RGTILYHWMROQET-DOTOQJQBSA-N 1 0 290.451 3.174 20 10 CGCDRO CC[C@@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)C[C@H](C)O1 ZINC001323302692 934381856 /nfs/dbraw/zinc/38/18/56/934381856.db2.gz GJVNDQJDARVIAA-MAUKXSAKSA-N 1 0 288.435 3.286 20 10 CGCDRO C[C@H](CC(=O)OC(C)(C)C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC001323475954 934399310 /nfs/dbraw/zinc/39/93/10/934399310.db2.gz OZNSHMHRFSPNSK-SNVBAGLBSA-N 1 0 299.798 3.256 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H]2C=CCCC2)cc1 ZINC001324610408 934531951 /nfs/dbraw/zinc/53/19/51/934531951.db2.gz OCOUJXZQUYYGDP-MWWKQMNYSA-N 1 0 256.393 3.464 20 10 CGCDRO Cc1c([C@H](C)[NH2+]C/C=C\c2ccc(N(C)C)cc2)cnn1C ZINC001324610650 934533378 /nfs/dbraw/zinc/53/33/78/934533378.db2.gz PQSWVPBVKBMVHG-AFNCTOJWSA-N 1 0 298.434 3.159 20 10 CGCDRO Cc1c([C@@H](C)[NH2+]C/C=C\c2ccc(N(C)C)cc2)cnn1C ZINC001324610651 934534499 /nfs/dbraw/zinc/53/44/99/934534499.db2.gz PQSWVPBVKBMVHG-LMVHVUTASA-N 1 0 298.434 3.159 20 10 CGCDRO CCOc1ccc(C[N@H+](CC)C(C)(C)C)c(O)c1 ZINC001324662795 934544185 /nfs/dbraw/zinc/54/41/85/934544185.db2.gz PWUYPKRBVQXPTC-UHFFFAOYSA-N 1 0 251.370 3.411 20 10 CGCDRO CC[C@@H]1C[C@H]1C[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC001473270182 937799741 /nfs/dbraw/zinc/79/97/41/937799741.db2.gz PIZHUGLYVZPHDO-KGLIPLIRSA-N 1 0 292.398 3.002 20 10 CGCDRO C[C@@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC001324847236 934865557 /nfs/dbraw/zinc/86/55/57/934865557.db2.gz DFPVMUFHZJXPAF-WCQYABFASA-N 1 0 291.391 3.089 20 10 CGCDRO C[C@@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1CCc2cccc(O)c21 ZINC001324847233 934865766 /nfs/dbraw/zinc/86/57/66/934865766.db2.gz DFPVMUFHZJXPAF-AAEUAGOBSA-N 1 0 291.391 3.089 20 10 CGCDRO CC[N@@H+](Cc1ccc(N2CCCC2)cc1)C[C@H](C)OC ZINC001326023139 934944595 /nfs/dbraw/zinc/94/45/95/934944595.db2.gz VREAJRMQKGPESZ-HNNXBMFYSA-N 1 0 276.424 3.144 20 10 CGCDRO CC[N@@H+](Cc1ccc(N2CCCC2)cc1)C[C@@H](C)OC ZINC001326023140 934944727 /nfs/dbraw/zinc/94/47/27/934944727.db2.gz VREAJRMQKGPESZ-OAHLLOKOSA-N 1 0 276.424 3.144 20 10 CGCDRO COc1ccc(N2CCC([NH2+]C/C=C\C3CC3)CC2)cc1 ZINC001326327763 934971091 /nfs/dbraw/zinc/97/10/91/934971091.db2.gz ZNPXGTFJNGMRRD-IHWYPQMZSA-N 1 0 286.419 3.220 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@H](CO)CC1CCC1 ZINC001327724410 935081261 /nfs/dbraw/zinc/08/12/61/935081261.db2.gz XAXPPRFWRADODP-VHDGCEQUSA-N 1 0 289.419 3.390 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)c1ccccc1O ZINC001328096957 935116792 /nfs/dbraw/zinc/11/67/92/935116792.db2.gz KXNRDRHEACQNDQ-JULQROHOSA-N 1 0 267.319 3.477 20 10 CGCDRO COc1cc(C)cc(C[N@H+](C)Cc2ccoc2C)c1O ZINC001334351176 936098915 /nfs/dbraw/zinc/09/89/15/936098915.db2.gz XIYHMBOYKNNLBD-UHFFFAOYSA-N 1 0 275.348 3.243 20 10 CGCDRO Nc1ccc(C[NH2+]C[C@H]2CCc3ccccc32)cc1 ZINC001334775459 936113577 /nfs/dbraw/zinc/11/35/77/936113577.db2.gz YIRHVWFZKXZQSD-OAHLLOKOSA-N 1 0 252.361 3.088 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](C)C[C@@H]2C)c(O)c1OC ZINC001336722293 936210216 /nfs/dbraw/zinc/21/02/16/936210216.db2.gz OOVKFFIGHPNWPN-SGMGOOAPSA-N 1 0 293.407 3.324 20 10 CGCDRO CCc1cc(C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3C)[nH]n1 ZINC001337786343 936288506 /nfs/dbraw/zinc/28/85/06/936288506.db2.gz WNKMGQRTIWZFLK-FZMZJTMJSA-N 1 0 285.391 3.324 20 10 CGCDRO C[C@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)C1CCC1 ZINC001474102848 937840074 /nfs/dbraw/zinc/84/00/74/937840074.db2.gz RSCDJQVQULJTST-JTQLQIEISA-N 1 0 268.351 3.309 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@H]2C[C@H](O)C2(C)C)cc1C ZINC001474119636 937840803 /nfs/dbraw/zinc/84/08/03/937840803.db2.gz KSRNSAWGUSAQBC-HOTGVXAUSA-N 1 0 277.408 3.033 20 10 CGCDRO COc1cc(C)c(C[N@H+](C)[C@H](C)c2ccco2)c(O)c1 ZINC001474401447 937857682 /nfs/dbraw/zinc/85/76/82/937857682.db2.gz NWWPOPBKSZKZCN-GFCCVEGCSA-N 1 0 275.348 3.495 20 10 CGCDRO CC(C)[C@@H]1C[N@H+](Cc2ccc(Cl)cc2O)CCCO1 ZINC001474551799 937866351 /nfs/dbraw/zinc/86/63/51/937866351.db2.gz UDQGYCCWVVPSMS-HNNXBMFYSA-N 1 0 283.799 3.293 20 10 CGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H]1CCC[C@H]1CCO ZINC001560448825 938259005 /nfs/dbraw/zinc/25/90/05/938259005.db2.gz QSSLXJFVFYYJFV-HOCLYGCPSA-N 1 0 286.419 3.127 20 10 CGCDRO OCC[N@H+](Cc1ccc(Cl)cc1O)C1CCCCC1 ZINC001560628615 938267040 /nfs/dbraw/zinc/26/70/40/938267040.db2.gz NYRZIFJOFWGXMT-UHFFFAOYSA-N 1 0 283.799 3.173 20 10 CGCDRO COc1cc(O)c(C[NH2+]C/C=C/c2ccccc2)cc1OC ZINC001560709083 938271530 /nfs/dbraw/zinc/27/15/30/938271530.db2.gz ZSJRURWEFXAJLR-RMKNXTFCSA-N 1 0 299.370 3.212 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCC[C@]2(CO)CC(C)C)c1O ZINC001560802286 938276795 /nfs/dbraw/zinc/27/67/95/938276795.db2.gz PZFGAAJYTIKNJQ-GOSISDBHSA-N 1 0 291.435 3.328 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(Cl)cc1O)[C@@H](O)c1ccccc1 ZINC001560868725 938280600 /nfs/dbraw/zinc/28/06/00/938280600.db2.gz MKSUEVLUKQUMEV-BDJLRTHQSA-N 1 0 291.778 3.257 20 10 CGCDRO COc1cc(C)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)c(O)c1 ZINC001561029258 938290385 /nfs/dbraw/zinc/29/03/85/938290385.db2.gz IPIBDAJHHJOMPU-QXMXGUDHSA-N 1 0 293.432 3.225 20 10 CGCDRO CSCC(C)(C)[NH2+]Cc1ccc(N(C)C)cc1C ZINC001561037686 938290920 /nfs/dbraw/zinc/29/09/20/938290920.db2.gz QSDYWUJMMKVIJM-UHFFFAOYSA-N 1 0 266.454 3.292 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CCCSC2)cc1F ZINC000288465055 282290311 /nfs/dbraw/zinc/29/03/11/282290311.db2.gz OJYDTWDHKJCHIG-CYBMUJFWSA-N 1 0 282.428 3.125 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CC2(CCO)CCCC2)cc1C ZINC000072925922 345421749 /nfs/dbraw/zinc/42/17/49/345421749.db2.gz IINRNWDBIDHGGL-UHFFFAOYSA-N 1 0 277.408 3.041 20 10 CGCDRO COc1cccc(C[NH2+]C2(C)Cc3ccccc3C2)c1O ZINC000125390678 370935648 /nfs/dbraw/zinc/93/56/48/370935648.db2.gz KBKHXJOFLWLMML-UHFFFAOYSA-N 1 0 283.371 3.048 20 10 CGCDRO CC(C)[C@@H](C[NH2+][C@H](C)c1ccccc1O)N1CCCC1 ZINC000020200715 368804899 /nfs/dbraw/zinc/80/48/99/368804899.db2.gz GSYFJSFOEAOJKA-GDBMZVCRSA-N 1 0 276.424 3.163 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)[C@@H]1CCCO1 ZINC000020208472 368805228 /nfs/dbraw/zinc/80/52/28/368805228.db2.gz GBQBDJPAYKUSGB-QAPCUYQASA-N 1 0 288.435 3.334 20 10 CGCDRO CCOc1cccc(C[N@H+](C)C(C2CC2)C2CC2)c1O ZINC000092704030 370100396 /nfs/dbraw/zinc/10/03/96/370100396.db2.gz USCAOPOHWVCBOF-UHFFFAOYSA-N 1 0 275.392 3.411 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccccc1O ZINC000134790296 371365810 /nfs/dbraw/zinc/36/58/10/371365810.db2.gz KONUQGQVASVLKN-JMGFVUJMSA-N 1 0 273.376 3.000 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CC2=CCCOC2)c(O)c1C ZINC000287140929 371610007 /nfs/dbraw/zinc/61/00/07/371610007.db2.gz SFSOQTZDSZHJSI-ZDUSSCGKSA-N 1 0 261.365 3.006 20 10 CGCDRO CCOc1cccc(C[NH2+]C[C@H]2COc3ccccc32)c1O ZINC000288549082 371739266 /nfs/dbraw/zinc/73/92/66/371739266.db2.gz LHGQYABFLAQLOF-AWEZNQCLSA-N 1 0 299.370 3.057 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2c3ccccc3O[C@@H]2C)c1 ZINC000288425406 371737058 /nfs/dbraw/zinc/73/70/58/371737058.db2.gz BHHQRYKOIFBASS-XIKOKIGWSA-N 1 0 299.370 3.403 20 10 CGCDRO CC(=O)c1cc(F)cc(C[NH2+]C2(C(C)C)CC2)c1O ZINC000293011500 372278761 /nfs/dbraw/zinc/27/87/61/372278761.db2.gz NZYHIVDCRAQIED-UHFFFAOYSA-N 1 0 265.328 3.012 20 10 CGCDRO CCc1noc(C)c1C[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000293770861 372475476 /nfs/dbraw/zinc/47/54/76/372475476.db2.gz SEUQYGZTKWNHCK-NSHDSACASA-N 1 0 274.364 3.410 20 10 CGCDRO CCc1nnc(C[NH2+][C@H](C)c2c(C)cc(C)cc2O)s1 ZINC000294529512 372657969 /nfs/dbraw/zinc/65/79/69/372657969.db2.gz ZTVLJEHUTXRNIC-LLVKDONJSA-N 1 0 291.420 3.274 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CSCCS2)c(O)c1 ZINC000168820129 372620880 /nfs/dbraw/zinc/62/08/80/372620880.db2.gz LCARNPLESUOYBE-RYUDHWBXSA-N 1 0 283.462 3.200 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCSC2)c(O)c1 ZINC000168816974 372621741 /nfs/dbraw/zinc/62/17/41/372621741.db2.gz XOLCNLVHPIUVRI-NWDGAFQWSA-N 1 0 251.395 3.247 20 10 CGCDRO CC[C@@H](O)CC[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000168826612 372621864 /nfs/dbraw/zinc/62/18/64/372621864.db2.gz MIIRPHZCBCKTAU-GXTWGEPZSA-N 1 0 273.376 3.357 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]C2CC(F)(F)C2)c(O)c1 ZINC000294355250 372651402 /nfs/dbraw/zinc/65/14/02/372651402.db2.gz PZWVAJYSLUGQLG-JTQLQIEISA-N 1 0 255.308 3.457 20 10 CGCDRO CC1=CC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000294407184 372653046 /nfs/dbraw/zinc/65/30/46/372653046.db2.gz WEYMEYLLVMIKCH-QGZVFWFLSA-N 1 0 286.419 3.112 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2ccn(C)c2)c(O)c1 ZINC000294652824 372664396 /nfs/dbraw/zinc/66/43/96/372664396.db2.gz GVSSPNHBUVNCKT-ZDUSSCGKSA-N 1 0 258.365 3.198 20 10 CGCDRO CCCOc1ccc(C[N@@H+]2CC[C@@H](SC)C2)c(O)c1 ZINC000295126456 372694522 /nfs/dbraw/zinc/69/45/22/372694522.db2.gz XKISFNYOUWUKKN-CQSZACIVSA-N 1 0 281.421 3.118 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]Cc1ccc(F)cc1)CC2 ZINC000295824056 372923419 /nfs/dbraw/zinc/92/34/19/372923419.db2.gz DNAHWBFTFBVGNF-AWEZNQCLSA-N 1 0 257.308 3.308 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]CCSC(F)(F)F)c1 ZINC000172114643 372908243 /nfs/dbraw/zinc/90/82/43/372908243.db2.gz QGIZBTSPYBNBMA-UHFFFAOYSA-N 1 0 265.300 3.043 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)CCCCO)c1ccc(N(C)C)cc1 ZINC000295857939 372937882 /nfs/dbraw/zinc/93/78/82/372937882.db2.gz BIECEXGFRDWYIK-PBHICJAKSA-N 1 0 278.440 3.344 20 10 CGCDRO COc1cccc(C[NH2+][C@H]2CCc3cccc(O)c32)c1 ZINC000296101463 373023203 /nfs/dbraw/zinc/02/32/03/373023203.db2.gz UKQALMDNXPAGHI-HNNXBMFYSA-N 1 0 269.344 3.178 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]Cc1cc(F)ccc1F)CC2 ZINC000297906740 373284131 /nfs/dbraw/zinc/28/41/31/373284131.db2.gz WLCUIEFEUHWPIE-AWEZNQCLSA-N 1 0 275.298 3.448 20 10 CGCDRO C[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1)c1ccccc1O ZINC000179890585 373935878 /nfs/dbraw/zinc/93/58/78/373935878.db2.gz JDWILDAGIUMQSZ-MEDUHNTESA-N 1 0 291.778 3.430 20 10 CGCDRO CCSCC[C@H](C)[N@H+](C)Cc1cc(OC)ccc1O ZINC000180670879 374033178 /nfs/dbraw/zinc/03/31/78/374033178.db2.gz CBLJRVQIRGAVND-LBPRGKRZSA-N 1 0 283.437 3.364 20 10 CGCDRO C[C@H]([NH2+][C@@H](CCO)C1CCCCC1)c1ccccc1O ZINC000183569221 374428667 /nfs/dbraw/zinc/42/86/67/374428667.db2.gz UATRWSASOURWFA-BBRMVZONSA-N 1 0 277.408 3.374 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CC(C)(C)OC1(C)C)c1ccccc1O ZINC000183714529 374444943 /nfs/dbraw/zinc/44/49/43/374444943.db2.gz KDGLQZOTSMJODG-BXUZGUMPSA-N 1 0 263.381 3.389 20 10 CGCDRO C[C@@H]([NH2+]C[C@H](C)N(C)C1CC1)c1cc(Cl)ccc1O ZINC000185368523 374648889 /nfs/dbraw/zinc/64/88/89/374648889.db2.gz QMAFANGOOMMAKW-WDEREUQCSA-N 1 0 282.815 3.179 20 10 CGCDRO Cc1nccn1CCCC[NH2+][C@H](C)c1cc(C)ccc1O ZINC000185544913 374684784 /nfs/dbraw/zinc/68/47/84/374684784.db2.gz NNBNPRABBRUVAP-CQSZACIVSA-N 1 0 287.407 3.337 20 10 CGCDRO CC[C@@H](O)CC[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000185801933 374739625 /nfs/dbraw/zinc/73/96/25/374739625.db2.gz BMIPPLDKOHXNTR-IUODEOHRSA-N 1 0 277.408 3.083 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CCC[C@@H]1CCO)c1cc(Cl)ccc1O ZINC000187975215 375130147 /nfs/dbraw/zinc/13/01/47/375130147.db2.gz XAYKYCVHJXGEJR-GYSYKLTISA-N 1 0 283.799 3.247 20 10 CGCDRO C[C@@H]([NH2+]C[C@@](C)(O)C1CCCCC1)c1ccccc1O ZINC000188670985 375251021 /nfs/dbraw/zinc/25/10/21/375251021.db2.gz RJXDUZLIPFLWND-CXAGYDPISA-N 1 0 277.408 3.374 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CCS[C@@H](C)CC2)c1 ZINC000190700166 375531956 /nfs/dbraw/zinc/53/19/56/375531956.db2.gz NGEDJWGVYNOXNX-LBPRGKRZSA-N 1 0 281.421 3.118 20 10 CGCDRO CC[C@H]([NH2+][C@@H](CO)Cc1cccc(C)c1)c1ccccc1O ZINC000191596168 375642716 /nfs/dbraw/zinc/64/27/16/375642716.db2.gz QSMWXKDDYJFSEB-AEFFLSMTSA-N 1 0 299.414 3.345 20 10 CGCDRO C[C@H]([NH2+][C@@H]1C[C@@H](O)C1(C)C)c1ccc2ccccc2c1O ZINC000228847676 376450830 /nfs/dbraw/zinc/45/08/30/376450830.db2.gz YFNIJCNUTGHFQK-IUIKQTSFSA-N 1 0 285.387 3.355 20 10 CGCDRO CCC(CC)(C[NH2+]Cc1ccccc1O)SC ZINC000230708187 376539128 /nfs/dbraw/zinc/53/91/28/376539128.db2.gz UQUVMFQTHMDRNG-UHFFFAOYSA-N 1 0 253.411 3.404 20 10 CGCDRO COc1cc(O)c(C[N@H+](C)Cc2cccs2)cc1OC ZINC000271115478 378454736 /nfs/dbraw/zinc/45/47/36/378454736.db2.gz WBCPFLKBKFVNBI-UHFFFAOYSA-N 1 0 293.388 3.103 20 10 CGCDRO Cc1ccncc1[C@H](C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000271459876 378494073 /nfs/dbraw/zinc/49/40/73/378494073.db2.gz JSHKOJFROIPFQP-ZDUSSCGKSA-N 1 0 287.382 3.446 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@H](C)C2)cc1 ZINC000271514108 378495606 /nfs/dbraw/zinc/49/56/06/378495606.db2.gz NMBJNIZYNGHNOC-OFQRWUPVSA-N 1 0 276.424 3.361 20 10 CGCDRO CC(C)[C@@H]1C[C@@H]([NH2+]Cc2c(O)cccc2Cl)CCO1 ZINC000271492095 378495744 /nfs/dbraw/zinc/49/57/44/378495744.db2.gz JMOOGMPQYITYCX-NHYWBVRUSA-N 1 0 283.799 3.339 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CC2([C@H](C)CCO)CCC2)cc1C ZINC000271832665 378509792 /nfs/dbraw/zinc/50/97/92/378509792.db2.gz OZUKAGBZKBKGMG-OAHLLOKOSA-N 1 0 291.435 3.287 20 10 CGCDRO COc1cc(O)c(C[NH2+]C2(c3ccccc3)CC2)cc1OC ZINC000271890306 378511568 /nfs/dbraw/zinc/51/15/68/378511568.db2.gz RUZXOKMYTVSSQU-UHFFFAOYSA-N 1 0 299.370 3.188 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCO[C@@H](CC(C)C)C2)c1 ZINC000272134601 378569687 /nfs/dbraw/zinc/56/96/87/378569687.db2.gz NMIHAPOWDOEOOM-ZBFHGGJFSA-N 1 0 293.407 3.084 20 10 CGCDRO COCC[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccco1 ZINC000272400789 378628692 /nfs/dbraw/zinc/62/86/92/378628692.db2.gz AXWSVNUHYBPRAB-OAHLLOKOSA-N 1 0 287.359 3.082 20 10 CGCDRO COc1cccc(C[N@H+](C)Cc2cc(F)ccc2O)c1 ZINC000272345057 378617427 /nfs/dbraw/zinc/61/74/27/378617427.db2.gz ZMARRRVIAIGILJ-UHFFFAOYSA-N 1 0 275.323 3.172 20 10 CGCDRO C[C@H](Cn1cccn1)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000273355801 378742560 /nfs/dbraw/zinc/74/25/60/378742560.db2.gz CQBPJTFGZKEFQW-KGLIPLIRSA-N 1 0 299.418 3.207 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1CCCCO1)c1cc(Cl)ccc1O ZINC000273403495 378742950 /nfs/dbraw/zinc/74/29/50/378742950.db2.gz NSTJRYGKSIBKCE-PWSUYJOCSA-N 1 0 269.772 3.265 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCOC3(CCC3)C2)c1 ZINC000273463360 378747277 /nfs/dbraw/zinc/74/72/77/378747277.db2.gz INPZDFKNFUMJPX-QWHCGFSZSA-N 1 0 291.391 3.153 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CC2(CCO)CCCC2)c(O)c1 ZINC000273466104 378748800 /nfs/dbraw/zinc/74/88/00/378748800.db2.gz DTIFQAWNJFFUIW-AWEZNQCLSA-N 1 0 277.408 3.294 20 10 CGCDRO C[C@H]([NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)c1cn[nH]c1 ZINC000273478860 378749926 /nfs/dbraw/zinc/74/99/26/378749926.db2.gz LIRHMUUALYRKIK-RYUDHWBXSA-N 1 0 285.391 3.406 20 10 CGCDRO C[C@@H]([NH2+][C@H](C)c1cc2c(cc1O)CCCC2)c1cn[nH]c1 ZINC000273478862 378750276 /nfs/dbraw/zinc/75/02/76/378750276.db2.gz LIRHMUUALYRKIK-VXGBXAGGSA-N 1 0 285.391 3.406 20 10 CGCDRO COCCC1(C[NH2+][C@H](C)c2ccc(C)c(C)c2O)CC1 ZINC000273528097 378752550 /nfs/dbraw/zinc/75/25/50/378752550.db2.gz VSMYJDOSSSGXIK-CQSZACIVSA-N 1 0 277.408 3.476 20 10 CGCDRO C[C@H]([NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)c1cnn(C)c1 ZINC000273583480 378754356 /nfs/dbraw/zinc/75/43/56/378754356.db2.gz NDLFUCAWXYLATF-STQMWFEESA-N 1 0 299.418 3.416 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccsc2)c(O)c1C ZINC000273600577 378755390 /nfs/dbraw/zinc/75/53/90/378755390.db2.gz RUAVKELEDMKOPT-DOMZBBRYSA-N 1 0 291.416 3.455 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)c1ccccc1O ZINC000274901786 378916500 /nfs/dbraw/zinc/91/65/00/378916500.db2.gz LKKALBTUWNJEOC-NFAWXSAZSA-N 1 0 263.381 3.248 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C[C@]2(C)CCO[C@@H]2C2CC2)cc1 ZINC000373353844 379265424 /nfs/dbraw/zinc/26/54/24/379265424.db2.gz LLWGGIJIVYGVTJ-MSOLQXFVSA-N 1 0 288.435 3.047 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@@]3(C2)CCCOC3)c1O ZINC000375300373 379490942 /nfs/dbraw/zinc/49/09/42/379490942.db2.gz AGPKGGBCUPADLN-MRXNPFEDSA-N 1 0 295.810 3.357 20 10 CGCDRO CO[C@@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])[C@H](C)C1 ZINC000282300144 379893069 /nfs/dbraw/zinc/89/30/69/379893069.db2.gz MFYGJRQFZLVFSO-ZYHUDNBSSA-N 1 0 269.772 3.045 20 10 CGCDRO CCCC[N@H+](CCn1ccnc1C)Cc1ccccc1O ZINC000282526497 379938685 /nfs/dbraw/zinc/93/86/85/379938685.db2.gz UMFQBUOENILBGL-UHFFFAOYSA-N 1 0 287.407 3.199 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CCCOC2)c(O)c1 ZINC000285379186 380148807 /nfs/dbraw/zinc/14/88/07/380148807.db2.gz WGJBNKZVKNOGGE-KBPBESRZSA-N 1 0 263.381 3.086 20 10 CGCDRO Cc1occc1C[NH2+]Cc1cc(Cl)ccc1O ZINC000725848833 572440725 /nfs/dbraw/zinc/44/07/25/572440725.db2.gz KVEKFTCBXZXIMO-UHFFFAOYSA-N 1 0 251.713 3.237 20 10 CGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000355112067 380577478 /nfs/dbraw/zinc/57/74/78/380577478.db2.gz DSPHXAOYYVPNAV-LSDHHAIUSA-N 1 0 286.419 3.391 20 10 CGCDRO COC[C@@H]([NH2+]Cc1c(C)c2ccccc2n1C)C1CC1 ZINC000358981492 381334490 /nfs/dbraw/zinc/33/44/90/381334490.db2.gz IUWGEGYVRWTSOF-OAHLLOKOSA-N 1 0 272.392 3.001 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]C23CCC(CC2)C3)c1O ZINC000359955829 381387233 /nfs/dbraw/zinc/38/72/33/381387233.db2.gz CKZXPCHRDDPZBZ-UHFFFAOYSA-N 1 0 281.783 3.477 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CC3(CCC3)C[C@@H]2C)c1 ZINC000365446288 382286769 /nfs/dbraw/zinc/28/67/69/382286769.db2.gz ZOSPMXQOKZVRME-LBPRGKRZSA-N 1 0 261.365 3.165 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCc3nc(C)ncc3C2)c(O)c1 ZINC000363864732 382259378 /nfs/dbraw/zinc/25/93/78/382259378.db2.gz MLNZTVCCDXEPOK-WFASDCNBSA-N 1 0 297.402 3.007 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]Cc1ccc3c(n1)CCCC3)CC2 ZINC000296320953 285397644 /nfs/dbraw/zinc/39/76/44/285397644.db2.gz FVSBAGTVQCHRJC-QGZVFWFLSA-N 1 0 294.398 3.443 20 10 CGCDRO COc1cccc(C[N@H+](C)CCc2cccs2)c1O ZINC000093685508 392239441 /nfs/dbraw/zinc/23/94/41/392239441.db2.gz PVYVHVPWEPUZIT-UHFFFAOYSA-N 1 0 277.389 3.137 20 10 CGCDRO COc1cccc(C[NH2+]C[C@H]2CCCC(F)(F)C2)c1O ZINC000281935772 392259136 /nfs/dbraw/zinc/25/91/36/392259136.db2.gz HQGHLPNXIWGOJH-NSHDSACASA-N 1 0 285.334 3.316 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1cncs1 ZINC000122434833 392423123 /nfs/dbraw/zinc/42/31/23/392423123.db2.gz DISLYVSJGTVTKW-JTQLQIEISA-N 1 0 279.384 3.199 20 10 CGCDRO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000124512763 392435246 /nfs/dbraw/zinc/43/52/46/392435246.db2.gz AVMDMTQNDRZNBI-CMPLNLGQSA-N 1 0 269.772 3.045 20 10 CGCDRO CC[C@H]([NH2+][C@@H](CC)[C@@H](O)C(F)F)c1ccc(C)cc1O ZINC000296484105 392559764 /nfs/dbraw/zinc/55/97/64/392559764.db2.gz OJVFJDCUOUCDKF-SGMGOOAPSA-N 1 0 287.350 3.146 20 10 CGCDRO CCOc1ccc(O)c(C[N@H+](C)Cc2cnc(C)s2)c1 ZINC000179383624 392700541 /nfs/dbraw/zinc/70/05/41/392700541.db2.gz OKUNAIVOBNRTIY-UHFFFAOYSA-N 1 0 292.404 3.188 20 10 CGCDRO C[C@H]1C[N@H+](Cc2ccccc2O)C[C@H](c2ccccc2)O1 ZINC000179563372 392702272 /nfs/dbraw/zinc/70/22/72/392702272.db2.gz ALKRNGKTANWAHN-KBXCAEBGSA-N 1 0 283.371 3.354 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCS[C@@H](C)CC2)c1O ZINC000190684948 392817050 /nfs/dbraw/zinc/81/70/50/392817050.db2.gz WZHAQBGNOFUJIX-LBPRGKRZSA-N 1 0 251.395 3.028 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H](CC(C)C)N(C)C)c1ccccc1O ZINC000020201593 171065310 /nfs/dbraw/zinc/06/53/10/171065310.db2.gz ZYBBJTCPBOYPLG-GOEBONIOSA-N 1 0 278.440 3.409 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](CC(C)C)N(C)C)c(O)c1 ZINC000020201848 171066314 /nfs/dbraw/zinc/06/63/14/171066314.db2.gz KIERDKFTSAZEGA-HUUCEWRRSA-N 1 0 278.440 3.328 20 10 CGCDRO c1cc2c(o1)CCC[C@H]2[NH2+]Cc1ccc2c(c1)CCO2 ZINC000037362943 260094824 /nfs/dbraw/zinc/09/48/24/260094824.db2.gz MVGFPTKJYWZZDX-OAHLLOKOSA-N 1 0 269.344 3.382 20 10 CGCDRO CC[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000152164685 261060646 /nfs/dbraw/zinc/06/06/46/261060646.db2.gz UQVRUJYZBHJSTE-STQMWFEESA-N 1 0 280.387 3.111 20 10 CGCDRO CC[C@@H]([NH2+]CCCC(=O)N(CC)CC)c1ccccc1O ZINC000155167673 261099071 /nfs/dbraw/zinc/09/90/71/261099071.db2.gz UUZSWDUTZIUFPB-OAHLLOKOSA-N 1 0 292.423 3.082 20 10 CGCDRO CC[C@H]([NH2+]C[C@H](O)c1cccc(C)c1)c1ccccc1O ZINC000156760312 261131756 /nfs/dbraw/zinc/13/17/56/261131756.db2.gz RBAXEUAYPUQNQN-WMZOPIPTSA-N 1 0 285.387 3.475 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCO[C@H](C3CC3)C2)c1 ZINC000157650082 261150110 /nfs/dbraw/zinc/15/01/10/261150110.db2.gz FTMGZAVWFCJSOX-MRRJBJDNSA-N 1 0 275.392 3.309 20 10 CGCDRO COc1cc(O)c(C[N@H+](C)CC2CCCC2)cc1OC ZINC000160031173 261202911 /nfs/dbraw/zinc/20/29/11/261202911.db2.gz PSQPVWSKGNMPDX-UHFFFAOYSA-N 1 0 279.380 3.031 20 10 CGCDRO C[C@@H]([NH2+]CCC[C@@H]1CCCCO1)c1ccccc1O ZINC000184001959 262004802 /nfs/dbraw/zinc/00/48/02/262004802.db2.gz ZCWUZKYTAAIISI-KGLIPLIRSA-N 1 0 263.381 3.392 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc([C@H](C)O)cc1)c1cc(F)ccc1O ZINC000185120660 262043021 /nfs/dbraw/zinc/04/30/21/262043021.db2.gz GQWYGXFURPXVRM-NEPJUHHUSA-N 1 0 289.350 3.435 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2c3ccccc3C[C@@H]2O)c(O)c1 ZINC000185674782 262065799 /nfs/dbraw/zinc/06/57/99/262065799.db2.gz XFNGLDYPSRORKO-UUWFMWQGSA-N 1 0 283.371 3.010 20 10 CGCDRO CC[C@@H](CCO)C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000185677231 262065860 /nfs/dbraw/zinc/06/58/60/262065860.db2.gz TXTMDNOVTNWOMQ-KBPBESRZSA-N 1 0 291.435 3.330 20 10 CGCDRO C[C@H](CCCO)[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000185689478 262066515 /nfs/dbraw/zinc/06/65/15/262066515.db2.gz MDYZHJHRKRVXCU-CHWSQXEVSA-N 1 0 277.408 3.083 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCCOCC1)c1cc2c(cc1O)CCCC2 ZINC000186234650 262085132 /nfs/dbraw/zinc/08/51/32/262085132.db2.gz CXPUNEVCANXWTO-CZUORRHYSA-N 1 0 289.419 3.491 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](CCO)C(C)(C)C)c1 ZINC000185197899 262301851 /nfs/dbraw/zinc/30/18/51/262301851.db2.gz PTFSWRLHFDFZIC-IUODEOHRSA-N 1 0 265.397 3.148 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2COc3ccccc3C2)c1 ZINC000185224343 262302303 /nfs/dbraw/zinc/30/23/03/262302303.db2.gz GFUDGZMKFHOQED-TZMCWYRMSA-N 1 0 299.370 3.055 20 10 CGCDRO CC[C@H]([NH2+]CCn1cnc2ccccc21)c1ccccc1O ZINC000274925787 263031680 /nfs/dbraw/zinc/03/16/80/263031680.db2.gz PWCHSWMXYLYBOI-HNNXBMFYSA-N 1 0 295.386 3.483 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H](C)[C@@H](C)OC)cc1 ZINC000290212979 263115365 /nfs/dbraw/zinc/11/53/65/263115365.db2.gz QBNXVYPZNNQJTN-MGPQQGTHSA-N 1 0 264.413 3.217 20 10 CGCDRO CSCCCCC[NH2+]Cc1ccc(N(C)C)cc1 ZINC000185164456 265003853 /nfs/dbraw/zinc/00/38/53/265003853.db2.gz SEQDJJYXVVBXHI-UHFFFAOYSA-N 1 0 266.454 3.376 20 10 CGCDRO OCCCC[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000294055100 265005891 /nfs/dbraw/zinc/00/58/91/265005891.db2.gz GUFUIBUFKYWCAA-SFHVURJKSA-N 1 0 299.414 3.428 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)c1ccc(C)cc1O ZINC000375666607 267884654 /nfs/dbraw/zinc/88/46/54/267884654.db2.gz VFUYWTBXHCOQLR-UXLLHSPISA-N 1 0 275.392 3.309 20 10 CGCDRO CCN(CC)CC[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000284206031 276327236 /nfs/dbraw/zinc/32/72/36/276327236.db2.gz SKHNZSLGVBFJQG-AWEZNQCLSA-N 1 0 264.413 3.001 20 10 CGCDRO C[C@H]([NH2+]Cc1ccccc1N(C)C)c1cc(F)ccc1O ZINC000273527002 279493025 /nfs/dbraw/zinc/49/30/25/279493025.db2.gz VMDIBXQKPUHGTD-LBPRGKRZSA-N 1 0 288.366 3.448 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CSC2(C)C)c1 ZINC000283200797 301654265 /nfs/dbraw/zinc/65/42/65/301654265.db2.gz LHOYSFOFUDPYDD-MFKMUULPSA-N 1 0 251.395 3.245 20 10 CGCDRO Oc1cc2c(cc1C[NH2+]C1(c3ccccc3)CCC1)OCO2 ZINC000171129249 327752165 /nfs/dbraw/zinc/75/21/65/327752165.db2.gz UGCSMLWADBVDHY-UHFFFAOYSA-N 1 0 297.354 3.290 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CC(C)(C)OC2(C)C)c1 ZINC000180368795 327805120 /nfs/dbraw/zinc/80/51/20/327805120.db2.gz AWTQJVOLCVIURG-OAHLLOKOSA-N 1 0 293.407 3.227 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCc2cn3ccccc3n2)c(O)c1 ZINC000184969909 327835434 /nfs/dbraw/zinc/83/54/34/327835434.db2.gz UDONQLDCSPYPMK-CQSZACIVSA-N 1 0 295.386 3.242 20 10 CGCDRO COCCc1ccnc(N[C@H](C)c2ccccc2O)c1 ZINC000287327736 328250862 /nfs/dbraw/zinc/25/08/62/328250862.db2.gz FUOUODFPZMYGHR-GFCCVEGCSA-N 1 0 272.348 3.149 20 10 CGCDRO CCCCOCCC[NH2+]Cc1cccc(OCC)c1O ZINC000075436110 326922173 /nfs/dbraw/zinc/92/21/73/326922173.db2.gz PQFRDRIKLSNGCC-UHFFFAOYSA-N 1 0 281.396 3.087 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]CC1(c2ccccn2)CCC1 ZINC000377693877 329025222 /nfs/dbraw/zinc/02/52/22/329025222.db2.gz DCKOKKZYELGAPY-UHFFFAOYSA-N 1 0 286.350 3.138 20 10 CGCDRO Oc1ccccc1C[NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000377770415 329028905 /nfs/dbraw/zinc/02/89/05/329028905.db2.gz DTKXSPDVKHBBRE-AEFFLSMTSA-N 1 0 283.371 3.402 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2CCC[C@@H](c3ccnn3C)C2)cc1C ZINC000378338534 329046626 /nfs/dbraw/zinc/04/66/26/329046626.db2.gz YQHYNGBBHXWQMH-OAHLLOKOSA-N 1 0 299.418 3.122 20 10 CGCDRO CSC(C)(C)C[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000168814307 329059532 /nfs/dbraw/zinc/05/95/32/329059532.db2.gz BZDQNCPPBPHWMB-NSHDSACASA-N 1 0 253.411 3.493 20 10 CGCDRO COc1ccc([C@@H]([NH2+]Cc2ccccc2O)C2CC2)cn1 ZINC000527840699 330287380 /nfs/dbraw/zinc/28/73/80/330287380.db2.gz IOJLLGAPEMWIAE-KRWDZBQOSA-N 1 0 284.359 3.037 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1CCN1C1CCCCC1)c1ccccc1O ZINC000527953399 330294661 /nfs/dbraw/zinc/29/46/61/330294661.db2.gz XOOYDJIDKLKPKN-GOEBONIOSA-N 1 0 288.435 3.450 20 10 CGCDRO C[C@@H]([NH2+]C[C@H](n1cccn1)C(F)(F)F)c1ccccc1O ZINC000527929687 330297260 /nfs/dbraw/zinc/29/72/60/330297260.db2.gz FAQZDNQLGYIGBI-MFKMUULPSA-N 1 0 299.296 3.043 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)c1 ZINC000528000496 330300057 /nfs/dbraw/zinc/30/00/57/330300057.db2.gz FYPUCFGKUPTMQE-DJUFWWRVSA-N 1 0 263.381 3.163 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc3cn(C)nc3c2)c(O)c1 ZINC000527961677 330300685 /nfs/dbraw/zinc/30/06/85/330300685.db2.gz JHGLATPSBXEVJX-ZDUSSCGKSA-N 1 0 295.386 3.438 20 10 CGCDRO Cn1cc2ccc(C[NH2+][C@H]3CCc4cccc(O)c43)cc2n1 ZINC000527964267 330300922 /nfs/dbraw/zinc/30/09/22/330300922.db2.gz URESMWWPWULHCI-HNNXBMFYSA-N 1 0 293.370 3.056 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CC23CC(C2)CO3)c1O ZINC000527976302 330302087 /nfs/dbraw/zinc/30/20/87/330302087.db2.gz ASXREQXDSMGORE-NLTNOIMHSA-N 1 0 281.783 3.184 20 10 CGCDRO CC[C@@H]([NH2+]CC1(C)CCOCC1)c1ccccc1O ZINC000229563592 333306191 /nfs/dbraw/zinc/30/61/91/333306191.db2.gz FLEBBPXGPJZGDL-CQSZACIVSA-N 1 0 263.381 3.250 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)[C@@H]2C[C@H]2C2CC2)c1 ZINC000529569048 333498245 /nfs/dbraw/zinc/49/82/45/333498245.db2.gz JAAYDJHKTPCJPF-KHJVZFFJSA-N 1 0 275.392 3.486 20 10 CGCDRO COc1cccc(C[NH2+][C@H](C)c2ncc(C)s2)c1O ZINC000134907030 334107771 /nfs/dbraw/zinc/10/77/71/334107771.db2.gz XNGZUOQJOTWGER-SNVBAGLBSA-N 1 0 278.377 3.017 20 10 CGCDRO CCCCOCC[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000040506649 520782243 /nfs/dbraw/zinc/78/22/43/520782243.db2.gz BKAARWGBPIVJJT-ZDUSSCGKSA-N 1 0 251.370 3.168 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@](C)(O)c2ccsc2)cc1C ZINC000174423531 518187719 /nfs/dbraw/zinc/18/77/19/518187719.db2.gz JVBVQIAUJQMHMB-INIZCTEOSA-N 1 0 291.416 3.068 20 10 CGCDRO CC(C)n1nccc1C[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000280024735 520111405 /nfs/dbraw/zinc/11/14/05/520111405.db2.gz UFUVASGHRIXYRW-UHFFFAOYSA-N 1 0 298.434 3.136 20 10 CGCDRO CCOCc1cc(C[NH2+]C2CC(F)(F)C2)ccc1OC ZINC000277614319 520186277 /nfs/dbraw/zinc/18/62/77/520186277.db2.gz JNUZOSIBDIXUOK-UHFFFAOYSA-N 1 0 285.334 3.119 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2snnc2C)cc1 ZINC000293246188 520290889 /nfs/dbraw/zinc/29/08/89/520290889.db2.gz BKRHTDNEURDELH-NSHDSACASA-N 1 0 290.436 3.153 20 10 CGCDRO CC1(C)C[N@H+](Cc2ccccc2O)[C@H]1c1cccnc1 ZINC000292870140 520482295 /nfs/dbraw/zinc/48/22/95/520482295.db2.gz WJOIDOZNLHDBAD-INIZCTEOSA-N 1 0 268.360 3.370 20 10 CGCDRO CCC[C@](C)(O)C[NH2+][C@H](CC)c1ccc(C)cc1O ZINC000280294054 521294953 /nfs/dbraw/zinc/29/49/53/521294953.db2.gz ZKWIDDHPBGIPFJ-ZBFHGGJFSA-N 1 0 265.397 3.292 20 10 CGCDRO CCOc1cccc(C[N@H+](Cc2cccnc2)C2CC2)c1O ZINC000290361335 521333526 /nfs/dbraw/zinc/33/35/26/521333526.db2.gz GVCGHCRNKXJLEM-UHFFFAOYSA-N 1 0 298.386 3.351 20 10 CGCDRO CCOc1cccc(C[NH2+]CCC2(COC)CCC2)c1O ZINC000292877528 521362897 /nfs/dbraw/zinc/36/28/97/521362897.db2.gz DTCZVSCWDAEIFY-UHFFFAOYSA-N 1 0 293.407 3.087 20 10 CGCDRO CCOC(CC[NH2+][C@@H](C)c1ccc(N(C)C)cc1)OCC ZINC000276497535 521629938 /nfs/dbraw/zinc/62/99/38/521629938.db2.gz IWIKFOUZVQRDCS-AWEZNQCLSA-N 1 0 294.439 3.192 20 10 CGCDRO CCCN(CCSCC)c1ccc(C[NH3+])cc1 ZINC000278355185 521669084 /nfs/dbraw/zinc/66/90/84/521669084.db2.gz IYUQCKUCRDCJNR-UHFFFAOYSA-N 1 0 252.427 3.115 20 10 CGCDRO CC[C@H]([NH2+]C1CCN(C2CC2)CC1)c1ccccc1O ZINC000037140876 522564434 /nfs/dbraw/zinc/56/44/34/522564434.db2.gz QZPSIFBLCRHIQX-INIZCTEOSA-N 1 0 274.408 3.060 20 10 CGCDRO CC[C@H]([NH2+]CC1(CCO)CCCC1)c1ccccc1O ZINC000274962942 522573328 /nfs/dbraw/zinc/57/33/28/522573328.db2.gz WXQJRVNKWUYLGR-HNNXBMFYSA-N 1 0 277.408 3.376 20 10 CGCDRO CC[C@@H](COCC(F)(F)F)[NH2+]Cc1cc(C)ccc1O ZINC000295162701 522597462 /nfs/dbraw/zinc/59/74/62/522597462.db2.gz SJPYLXCVLBMRAA-LBPRGKRZSA-N 1 0 291.313 3.148 20 10 CGCDRO CC[C@H]([NH2+]C[C@H]1CCSC1)c1ccc(C)cc1O ZINC000280007144 522635397 /nfs/dbraw/zinc/63/53/97/522635397.db2.gz GJMMXEWWUXGKHG-OCCSQVGLSA-N 1 0 265.422 3.494 20 10 CGCDRO CC[C@H]([NH2+]C[C@H]1CCc2nccn2C1)c1ccc(C)cc1O ZINC000279964163 522636008 /nfs/dbraw/zinc/63/60/08/522636008.db2.gz CNXOAGDRQPUQBI-ZBFHGGJFSA-N 1 0 299.418 3.200 20 10 CGCDRO CC[C@H]([NH2+][C@@H](CO)CC(C)C)c1ccc(C)cc1O ZINC000279983267 522707441 /nfs/dbraw/zinc/70/74/41/522707441.db2.gz DVBIUDSVWNQGGI-HIFRSBDPSA-N 1 0 265.397 3.148 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCO[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000271456200 522719623 /nfs/dbraw/zinc/71/96/23/522719623.db2.gz GRHIEGAUSJRYDO-LXZKKBNFSA-N 1 0 276.424 3.361 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CC[C@H](C(=O)OC)C1)c1ccc(C)cc1O ZINC000280243593 522724745 /nfs/dbraw/zinc/72/47/45/522724745.db2.gz WDWUKNRGHOXSSU-GUTXKFCHSA-N 1 0 291.391 3.083 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H](C)COC)c1ccc(C)cc1O ZINC000280011203 522858480 /nfs/dbraw/zinc/85/84/80/522858480.db2.gz GSLQOXSMIQEPQE-GXTWGEPZSA-N 1 0 251.370 3.024 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cccnc1OC)c1ccccc1O ZINC000037650424 522886744 /nfs/dbraw/zinc/88/67/44/522886744.db2.gz AYAXPEZAVAUTMS-CQSZACIVSA-N 1 0 272.348 3.037 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](CO)c1ccccc1)c1ccc(C)cc1O ZINC000280138101 522921096 /nfs/dbraw/zinc/92/10/96/522921096.db2.gz PLDZTMDBMSNORF-SJORKVTESA-N 1 0 285.387 3.475 20 10 CGCDRO CC[C@H](C)NC(=O)CC[NH2+][C@@H](CC)c1ccc(C)cc1O ZINC000280187039 523968769 /nfs/dbraw/zinc/96/87/69/523968769.db2.gz SADZCTRHXNINOR-ZFWWWQNUSA-N 1 0 292.423 3.046 20 10 CGCDRO COc1ccc(C[NH2+]Cc2ccc3c(c2)OCO3)cc1C ZINC000035052504 524072915 /nfs/dbraw/zinc/07/29/15/524072915.db2.gz AJMHTBKUOMELLE-UHFFFAOYSA-N 1 0 285.343 3.022 20 10 CGCDRO C[C@@H](CN1CCCCC1)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000094617549 524607297 /nfs/dbraw/zinc/60/72/97/524607297.db2.gz FECUAQHEDGALFF-STQMWFEESA-N 1 0 280.387 3.056 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CC(C)(C)[C@H]2c2cccnc2)c1 ZINC000366554474 524738586 /nfs/dbraw/zinc/73/85/86/524738586.db2.gz LVBPZPDRJNAPBT-QGZVFWFLSA-N 1 0 298.386 3.379 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCOc2ccccc2)c1 ZINC000042895456 524762153 /nfs/dbraw/zinc/76/21/53/524762153.db2.gz OLYUEUITQICCOT-CYBMUJFWSA-N 1 0 287.359 3.130 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+](C)[C@H]2CC[C@H](O)CC2)c1O ZINC000276020583 524862210 /nfs/dbraw/zinc/86/22/10/524862210.db2.gz PGBDQDZMVDPBPJ-HDJSIYSDSA-N 1 0 283.799 3.089 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC(F)(F)[C@H](C)C2)cc1C ZINC000291710049 525316606 /nfs/dbraw/zinc/31/66/06/525316606.db2.gz ZTKJCSDPUBOAGK-GFCCVEGCSA-N 1 0 269.335 3.486 20 10 CGCDRO CSC1(C[NH2+]Cc2c(O)cccc2Cl)CC1 ZINC000227948893 525334466 /nfs/dbraw/zinc/33/44/66/525334466.db2.gz NKIKEKSEIVMSGK-UHFFFAOYSA-N 1 0 257.786 3.031 20 10 CGCDRO C[C@@H]([NH2+]CCc1ccsc1)c1cc(F)ccc1O ZINC000094617880 525466120 /nfs/dbraw/zinc/46/61/20/525466120.db2.gz IGMDELGERHCPAQ-SNVBAGLBSA-N 1 0 265.353 3.486 20 10 CGCDRO Cc1n[nH]cc1CCC[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000050182577 525496762 /nfs/dbraw/zinc/49/67/62/525496762.db2.gz IOOPSWLZRUOBCQ-ZDUSSCGKSA-N 1 0 273.380 3.016 20 10 CGCDRO C[C@@H]([NH2+][C@@H](CO)C1CCCC1)c1cc(Cl)ccc1O ZINC000290079908 525626356 /nfs/dbraw/zinc/62/63/56/525626356.db2.gz GQTFLQOQTFUUDS-YGRLFVJLSA-N 1 0 283.799 3.247 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](CCO)c2ccco2)c(O)c1C ZINC000274707873 525741105 /nfs/dbraw/zinc/74/11/05/525741105.db2.gz ZRWCGWUHFMRIRZ-HIFRSBDPSA-N 1 0 289.375 3.376 20 10 CGCDRO Cc1ccsc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000078820446 525859219 /nfs/dbraw/zinc/85/92/19/525859219.db2.gz FGNNRJIKQFRSRN-UHFFFAOYSA-N 1 0 259.374 3.281 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000278403513 526372895 /nfs/dbraw/zinc/37/28/95/526372895.db2.gz OQTCZWVZGHFCCU-SNVBAGLBSA-N 1 0 259.271 3.167 20 10 CGCDRO c1cc(N2CCCCC2)ccc1C[NH2+]C[C@H]1CCCCO1 ZINC000042813821 526430978 /nfs/dbraw/zinc/43/09/78/526430978.db2.gz RFUYFVSHIJCWNW-GOSISDBHSA-N 1 0 288.435 3.336 20 10 CGCDRO c1cncc(C[NH2+]Cc2ccc(N3CCCCC3)cc2)c1 ZINC000020141286 526546860 /nfs/dbraw/zinc/54/68/60/526546860.db2.gz JSSRBXRHCFGFRM-UHFFFAOYSA-N 1 0 281.403 3.362 20 10 CGCDRO Cc1ncsc1C[N@@H+](C)Cc1cc2c(cc1O)CCC2 ZINC000738159564 571931399 /nfs/dbraw/zinc/93/13/99/571931399.db2.gz FTFQPMOWUGBHOP-UHFFFAOYSA-N 1 0 288.416 3.278 20 10 CGCDRO COc1cccc(C[NH2+][C@H]2CCC[C@@H](C3CC3)C2)c1O ZINC000742376976 572352157 /nfs/dbraw/zinc/35/21/57/572352157.db2.gz JPPVWJSODBEVLW-HIFRSBDPSA-N 1 0 275.392 3.459 20 10 CGCDRO COc1ccc(C)cc1C[N@H+](C)Cc1ccccc1O ZINC000731843487 572429428 /nfs/dbraw/zinc/42/94/28/572429428.db2.gz KJUSUSAYBWNKIF-UHFFFAOYSA-N 1 0 271.360 3.341 20 10 CGCDRO CN1CCC[C@@H]1C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000725848444 572440755 /nfs/dbraw/zinc/44/07/55/572440755.db2.gz UYQOEKQOCOXZFZ-GOSISDBHSA-N 1 0 296.414 3.243 20 10 CGCDRO COC(=O)c1cc2ccccc2c(C[N@H+](C)C2CCC2)c1O ZINC000742173704 572556954 /nfs/dbraw/zinc/55/69/54/572556954.db2.gz VFHXCUYVPIKALE-UHFFFAOYSA-N 1 0 299.370 3.316 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccncc1 ZINC000742372669 572569644 /nfs/dbraw/zinc/56/96/44/572569644.db2.gz RZJWUCKTTOPMLD-MRXNPFEDSA-N 1 0 268.360 3.257 20 10 CGCDRO Cc1ccc(CC[C@@H](C)[NH2+]Cc2ccccc2O)o1 ZINC000742380920 572572239 /nfs/dbraw/zinc/57/22/39/572572239.db2.gz SHZNNJULJUZCQB-GFCCVEGCSA-N 1 0 259.349 3.405 20 10 CGCDRO OC[C@@H]([NH2+]Cc1cc(Cl)ccc1O)c1ccc(F)cc1 ZINC000734850481 572688257 /nfs/dbraw/zinc/68/82/57/572688257.db2.gz KZYFCOSSLVTDFC-CQSZACIVSA-N 1 0 295.741 3.008 20 10 CGCDRO CCC[N@H+](C)Cc1c(O)c(C(=O)OC)cc2ccccc21 ZINC000746075005 572849227 /nfs/dbraw/zinc/84/92/27/572849227.db2.gz XBZSCFQJSBPYPK-UHFFFAOYSA-N 1 0 287.359 3.174 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H](c2cnn(C)c2)C(C)(C)C)c1 ZINC000748246040 572970376 /nfs/dbraw/zinc/97/03/76/572970376.db2.gz HXKKFYLGJKWOFR-MRXNPFEDSA-N 1 0 287.407 3.311 20 10 CGCDRO CC(C)(O)CC[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000749839510 573045612 /nfs/dbraw/zinc/04/56/12/573045612.db2.gz CWJOMCMYFZOIOP-UHFFFAOYSA-N 1 0 289.375 3.148 20 10 CGCDRO CC[C@@H]([NH2+][C@H](C)COC)c1cc(Cl)ccc1O ZINC000775483225 628098135 /nfs/dbraw/zinc/09/81/35/628098135.db2.gz POFACPGLRBYVBG-BXKDBHETSA-N 1 0 257.761 3.121 20 10 CGCDRO CC[C@H]1CC[C@@H]1[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000806135397 617928820 /nfs/dbraw/zinc/92/88/20/617928820.db2.gz JNWKFTWMPOVYOF-HOCLYGCPSA-N 1 0 258.409 3.347 20 10 CGCDRO CC[C@@]1(C)CCC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000160311609 617949363 /nfs/dbraw/zinc/94/93/63/617949363.db2.gz ACDICTNZRUNECX-KRWDZBQOSA-N 1 0 293.407 3.422 20 10 CGCDRO COc1ccc(C[NH2+]Cc2c(O)cccc2Cl)cc1 ZINC000083551192 618009749 /nfs/dbraw/zinc/00/97/49/618009749.db2.gz CUOIOTQPEQLQSS-UHFFFAOYSA-N 1 0 277.751 3.344 20 10 CGCDRO COC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000307789401 618078820 /nfs/dbraw/zinc/07/88/20/618078820.db2.gz UZRGJLDKQCQZGI-ZDUSSCGKSA-N 1 0 269.772 3.047 20 10 CGCDRO COCC[C@@H](C)C[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000840835803 618149395 /nfs/dbraw/zinc/14/93/95/618149395.db2.gz QTSXCQRKCZIZJI-RISCZKNCSA-N 1 0 265.397 3.332 20 10 CGCDRO CC[N@H+](Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000156844799 618149580 /nfs/dbraw/zinc/14/95/80/618149580.db2.gz IHWBBWCTTOMECS-UHFFFAOYSA-N 1 0 258.365 3.368 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C2C[C@H](C)O[C@@H](C)C2)c1 ZINC000248514583 618167238 /nfs/dbraw/zinc/16/72/38/618167238.db2.gz NOZCDUFLYQUCHY-AVGNSLFASA-N 1 0 263.381 3.307 20 10 CGCDRO COc1ccc(N2CCC([NH2+][C@H](C)C3(C)CC3)CC2)cc1 ZINC000157430010 618222605 /nfs/dbraw/zinc/22/26/05/618222605.db2.gz NIHYSPCURBYWNZ-CQSZACIVSA-N 1 0 288.435 3.442 20 10 CGCDRO Cc1cc(O)c(C[N@H+](C)C[C@H]2CCOC2)cc1C(C)C ZINC000176090252 618330914 /nfs/dbraw/zinc/33/09/14/618330914.db2.gz UOPKSTJKJLNXPW-CQSZACIVSA-N 1 0 277.408 3.292 20 10 CGCDRO CCC[N@H+](Cc1cn(C)nc1C1CC1)Cc1ccccc1O ZINC000891853366 618341816 /nfs/dbraw/zinc/34/18/16/618341816.db2.gz KMKVAYYKBDZFSX-UHFFFAOYSA-N 1 0 299.418 3.415 20 10 CGCDRO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1ccc(OC)c(OC)c1O ZINC000892068815 618516902 /nfs/dbraw/zinc/51/69/02/618516902.db2.gz UFPGCKWWPASBAK-WCQYABFASA-N 1 0 279.380 3.030 20 10 CGCDRO Cc1cc(C[NH2+][C@H]2CCOC23CCCC3)ccc1N(C)C ZINC000934383742 618613395 /nfs/dbraw/zinc/61/33/95/618613395.db2.gz ZSZFZUYVAJVEEO-KRWDZBQOSA-N 1 0 288.435 3.252 20 10 CGCDRO C[C@@H]([NH2+]CCN(C)c1ccccc1)c1cc(F)ccc1O ZINC000184952215 625284774 /nfs/dbraw/zinc/28/47/74/625284774.db2.gz FKHUBZOAFUEREA-CYBMUJFWSA-N 1 0 288.366 3.318 20 10 CGCDRO CCC(CC)[C@@H](O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000162195395 618743807 /nfs/dbraw/zinc/74/38/07/618743807.db2.gz YHONBYYQOJJTQP-DYVFJYSZSA-N 1 0 278.440 3.200 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000179401358 618781737 /nfs/dbraw/zinc/78/17/37/618781737.db2.gz YSAOEBCQEOFMNB-OAHLLOKOSA-N 1 0 276.424 3.144 20 10 CGCDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2ccccc2O)C1(C)C ZINC000179560827 618794935 /nfs/dbraw/zinc/79/49/35/618794935.db2.gz KECXUVKSZMOZSY-HUUCEWRRSA-N 1 0 263.381 3.028 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)[C@H]2CC2(F)F)c1 ZINC000840879976 618811959 /nfs/dbraw/zinc/81/19/59/618811959.db2.gz VDCXBUQRLMRXJH-YGOYTEALSA-N 1 0 271.307 3.095 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)C3(Cl)CC3)C2)cc1 ZINC000926680002 618817691 /nfs/dbraw/zinc/81/76/91/618817691.db2.gz IZVHYCJAYHKKMH-STQMWFEESA-N 1 0 294.826 3.023 20 10 CGCDRO COc1ccc(C[NH2+]CCC2CCCC2)c(O)c1OC ZINC000892507206 618820511 /nfs/dbraw/zinc/82/05/11/618820511.db2.gz VPLAFEAYAFCVCR-UHFFFAOYSA-N 1 0 279.380 3.079 20 10 CGCDRO C[C@@H]([NH2+]CC[C@@]1(C)CC1(F)F)c1ccccc1O ZINC000850535815 618871444 /nfs/dbraw/zinc/87/14/44/618871444.db2.gz BYEKILSPUDJPFA-MFKMUULPSA-N 1 0 255.308 3.478 20 10 CGCDRO CS[C@@H]1CC[C@@H]([NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000310928861 618879050 /nfs/dbraw/zinc/87/90/50/618879050.db2.gz BSTPUCNPJMYTHD-UPJWGTAASA-N 1 0 263.406 3.253 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](COC)C(C)C)cc1 ZINC000165892545 618900914 /nfs/dbraw/zinc/90/09/14/618900914.db2.gz UUSWCQKIGCMKHN-YOEHRIQHSA-N 1 0 278.440 3.464 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCSC2)c1 ZINC000168814606 618913940 /nfs/dbraw/zinc/91/39/40/618913940.db2.gz WSEQCMZVWLWHNU-VXGBXAGGSA-N 1 0 251.395 3.247 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)C2CCCCC2)c(O)c1 ZINC000185328178 619060349 /nfs/dbraw/zinc/06/03/49/619060349.db2.gz DMYJOYDUGCQWCN-DYVFJYSZSA-N 1 0 277.408 3.292 20 10 CGCDRO Cc1nc(C)c(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)o1 ZINC000312543745 619087631 /nfs/dbraw/zinc/08/76/31/619087631.db2.gz LRXCPAWNKMEFPM-NSHDSACASA-N 1 0 273.380 3.208 20 10 CGCDRO CC(C)(C)[C@@H](Cn1ccnc1)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000319207726 619101295 /nfs/dbraw/zinc/10/12/95/619101295.db2.gz FZHOZYXARZEUHQ-GDBMZVCRSA-N 1 0 299.418 3.281 20 10 CGCDRO Oc1cccc2c1CCC[C@@H]2[NH2+]Cc1ccc2c(c1)CCO2 ZINC000191663859 619112413 /nfs/dbraw/zinc/11/24/13/619112413.db2.gz GOPBJNNLCUQDFF-KRWDZBQOSA-N 1 0 295.382 3.494 20 10 CGCDRO CCOCC[N@H+](C)Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000092885329 619140433 /nfs/dbraw/zinc/14/04/33/619140433.db2.gz JTIREVJDXZMJIC-UHFFFAOYSA-N 1 0 295.423 3.167 20 10 CGCDRO COc1ccccc1CC[NH2+][C@H](C)c1cc(F)ccc1O ZINC000184861598 619222128 /nfs/dbraw/zinc/22/21/28/619222128.db2.gz RSSKNYFFXVYUPR-GFCCVEGCSA-N 1 0 289.350 3.433 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000840936522 619227475 /nfs/dbraw/zinc/22/74/75/619227475.db2.gz KTRDSLBDBZZADF-WMZOPIPTSA-N 1 0 290.451 3.044 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2COc3ccccc3O2)c1 ZINC000314461324 619229734 /nfs/dbraw/zinc/22/97/34/619229734.db2.gz LAEBMLPMXYWJHF-KBPBESRZSA-N 1 0 299.370 3.191 20 10 CGCDRO Cc1cccc(C[N@@H+]2C[C@H](O)C[C@H]2c2ccccc2)c1O ZINC000840956794 619269171 /nfs/dbraw/zinc/26/91/71/619269171.db2.gz FAGFSGQDNKKFOH-SJORKVTESA-N 1 0 283.371 3.009 20 10 CGCDRO CO[C@@](C)([C@H](C)[NH2+]Cc1ccc(N(C)C)c(F)c1)C1CC1 ZINC000840961276 619280851 /nfs/dbraw/zinc/28/08/51/619280851.db2.gz UEOWMRTXGVHKEB-SJCJKPOMSA-N 1 0 294.414 3.185 20 10 CGCDRO COc1cccc(O)c1C[NH2+]C[C@@H](C)CC(F)(F)F ZINC000840963965 619283371 /nfs/dbraw/zinc/28/33/71/619283371.db2.gz PNRZNODXXKCEER-VIFPVBQESA-N 1 0 277.286 3.079 20 10 CGCDRO COc1ccccc1C[N@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000893882501 619326461 /nfs/dbraw/zinc/32/64/61/619326461.db2.gz KAFNVVHYYRFJPQ-UHFFFAOYSA-N 1 0 293.313 3.311 20 10 CGCDRO CC[C@H]([NH2+][C@@H](CC)[C@H]1CCCO1)c1ccccc1O ZINC000248549173 619381234 /nfs/dbraw/zinc/38/12/34/619381234.db2.gz HDVZOQJQPBZBLU-OFQRWUPVSA-N 1 0 263.381 3.391 20 10 CGCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@H](C)CO)cc1 ZINC000067223929 619395914 /nfs/dbraw/zinc/39/59/14/619395914.db2.gz GBYSEELQHSXMDV-MRXNPFEDSA-N 1 0 298.430 3.184 20 10 CGCDRO COC[C@H](CC(C)C)[NH2+][C@H](C)c1ccccc1O ZINC000877755630 619417053 /nfs/dbraw/zinc/41/70/53/619417053.db2.gz ISDAYIFWQXMYST-OLZOCXBDSA-N 1 0 251.370 3.104 20 10 CGCDRO COc1ccc(C[N@H+](C)[C@@H]2CCCC[C@@H]2C)c(O)c1OC ZINC000894314597 619487138 /nfs/dbraw/zinc/48/71/38/619487138.db2.gz AFQOHJSUBCPKJJ-GXTWGEPZSA-N 1 0 293.407 3.420 20 10 CGCDRO C[C@@H](O)C[C@H]1CCCCC[N@@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000894748587 619619725 /nfs/dbraw/zinc/61/97/25/619619725.db2.gz UHNRWEBQEDLWQF-BXUZGUMPSA-N 1 0 299.361 3.186 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2C[C@H](C3CC3)[C@H]2C2CC2)c1O ZINC000894904935 619679740 /nfs/dbraw/zinc/67/97/40/619679740.db2.gz BLOSSAGVEPIJKC-NVXWUHKLSA-N 1 0 287.403 3.330 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@H](C)[C@](C)(OC)C2CC2)c1O ZINC000894993374 619692289 /nfs/dbraw/zinc/69/22/89/619692289.db2.gz QPNQYDQCDCCRLB-PXAZEXFGSA-N 1 0 293.407 3.002 20 10 CGCDRO [O-]c1c(F)cc(F)cc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000895073455 619712624 /nfs/dbraw/zinc/71/26/24/619712624.db2.gz HMMZKKYRAKHYPK-XHDPSFHLSA-N 1 0 297.345 3.061 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cc(C)cc(OC)c1O)[C@H]1CCCCO1 ZINC000895190532 619774383 /nfs/dbraw/zinc/77/43/83/619774383.db2.gz SPZOYJWNXLTUGA-HUUCEWRRSA-N 1 0 293.407 3.147 20 10 CGCDRO CC[C@H]([NH2+]Cc1cc(C)cc(OC)c1O)[C@H]1CCCCO1 ZINC000895190533 619774690 /nfs/dbraw/zinc/77/46/90/619774690.db2.gz SPZOYJWNXLTUGA-LSDHHAIUSA-N 1 0 293.407 3.147 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCc2cccnc21)c1ccccc1O ZINC000895460153 619833631 /nfs/dbraw/zinc/83/36/31/619833631.db2.gz LNECUVVEGVNJCB-BXUZGUMPSA-N 1 0 254.333 3.125 20 10 CGCDRO Oc1cccc2c1C[N@H+](C[C@@H]1CCc3ccccc31)C2 ZINC000895784669 619885414 /nfs/dbraw/zinc/88/54/14/619885414.db2.gz KYLVJWMARAINCK-HNNXBMFYSA-N 1 0 265.356 3.438 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](CO)C2CCCCC2)cc1C ZINC000072927596 625383291 /nfs/dbraw/zinc/38/32/91/625383291.db2.gz MKCPDYCQYYHWAG-INIZCTEOSA-N 1 0 277.408 3.034 20 10 CGCDRO COc1ccc(C[NH2+][C@H](CO)C2CCCCC2)cc1C ZINC000072927597 625383554 /nfs/dbraw/zinc/38/35/54/625383554.db2.gz MKCPDYCQYYHWAG-MRXNPFEDSA-N 1 0 277.408 3.034 20 10 CGCDRO COc1cccc(C[N@@H+]2C[C@H]3C[C@@]3(c3ccccc3)C2)c1O ZINC000896230535 619970992 /nfs/dbraw/zinc/97/09/92/619970992.db2.gz JHAAUIHIHGYIOA-APWZRJJASA-N 1 0 295.382 3.174 20 10 CGCDRO CCOc1ccc(C[NH2+]Cc2c([O-])cccc2F)cc1 ZINC000896640676 620042494 /nfs/dbraw/zinc/04/24/94/620042494.db2.gz LLDFFLULCRJEJW-UHFFFAOYSA-N 1 0 275.323 3.220 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]C[C@@H]1CCCC2(CCC2)O1 ZINC000896918963 620101224 /nfs/dbraw/zinc/10/12/24/620101224.db2.gz SYWRNPAOZWLOGM-AWEZNQCLSA-N 1 0 275.392 3.282 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]C[C@@H]1CC(C)(C)OC1(C)C ZINC000897225243 620164309 /nfs/dbraw/zinc/16/43/09/620164309.db2.gz JEOFCWJHYYHTHB-ZDUSSCGKSA-N 1 0 277.408 3.384 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CC(C)(C)OC2(C)C)c1 ZINC000897229161 620165386 /nfs/dbraw/zinc/16/53/86/620165386.db2.gz RVZFIABUFAZMEV-ZDUSSCGKSA-N 1 0 293.407 3.084 20 10 CGCDRO CCc1nc(C)c(C[NH2+][C@@H](C)c2cc(OC)ccc2O)o1 ZINC000314720940 620186523 /nfs/dbraw/zinc/18/65/23/620186523.db2.gz JBQGDDWDBWLHRF-JTQLQIEISA-N 1 0 290.363 3.110 20 10 CGCDRO COc1cccc(O)c1C[NH2+]CC[C@@H]1CCC(C)(C)CO1 ZINC000897478487 620346024 /nfs/dbraw/zinc/34/60/24/620346024.db2.gz WAYGBBVFRXHTCH-ZDUSSCGKSA-N 1 0 293.407 3.086 20 10 CGCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+][C@H]1CC12CC(O)C2 ZINC000897850560 620439545 /nfs/dbraw/zinc/43/95/45/620439545.db2.gz JOOVFCUVFDOKPV-AVAKVYKDSA-N 1 0 295.382 3.062 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2C[C@H]3CCC[C@H]32)c1 ZINC000897953943 620454188 /nfs/dbraw/zinc/45/41/88/620454188.db2.gz VPCLOZPPUPWJBO-KCPJHIHWSA-N 1 0 261.365 3.069 20 10 CGCDRO C[C@@H](C[NH2+]CCc1ccc(N)cc1)c1ccc(F)cc1 ZINC000841038745 620515640 /nfs/dbraw/zinc/51/56/40/620515640.db2.gz PGHODTOMRGTRHO-ZDUSSCGKSA-N 1 0 272.367 3.344 20 10 CGCDRO CC[C@H]([NH2+]CCN1CCC(C)CC1)c1ccccc1O ZINC000040771255 620544998 /nfs/dbraw/zinc/54/49/98/620544998.db2.gz MTWVEIIIVOZDMY-INIZCTEOSA-N 1 0 276.424 3.165 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)C[C@H](O)c2ccco2)c1 ZINC000185835790 625463310 /nfs/dbraw/zinc/46/33/10/625463310.db2.gz NJUDAUZJXDJRCH-XEZPLFJOSA-N 1 0 289.375 3.456 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CC2(C3(O)CCC3)CC2)c(O)c1 ZINC000903257542 621645101 /nfs/dbraw/zinc/64/51/01/621645101.db2.gz HBZOBEVTFKJISE-ZDUSSCGKSA-N 1 0 275.392 3.046 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccc3nonc3c2)c(O)c1 ZINC000903324752 621678666 /nfs/dbraw/zinc/67/86/66/621678666.db2.gz JPQQCODMOWZDBJ-GFCCVEGCSA-N 1 0 297.358 3.396 20 10 CGCDRO CO[C@@]1(C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)CCSC1 ZINC000903314099 621685354 /nfs/dbraw/zinc/68/53/54/621685354.db2.gz GXFXIBIAWSONAE-XJKSGUPXSA-N 1 0 295.448 3.182 20 10 CGCDRO C[C@H]([NH2+]C[C@]12C[C@H]1COC21CCC1)c1ccccc1O ZINC000903363950 621715287 /nfs/dbraw/zinc/71/52/87/621715287.db2.gz RPEMTIJMXUQFMW-HEHGZKQESA-N 1 0 273.376 3.002 20 10 CGCDRO CC[C@H]([NH2+][C@H]1COC[C@H]1C)c1cc(Cl)ccc1O ZINC000903393006 621718404 /nfs/dbraw/zinc/71/84/04/621718404.db2.gz DCKIXQFZDYPXJW-ICCXJUOJSA-N 1 0 269.772 3.121 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@H]2CCOC23CCCC3)c1O ZINC000903390568 621728572 /nfs/dbraw/zinc/72/85/72/621728572.db2.gz WDAXASYHWHXQBK-WFASDCNBSA-N 1 0 291.391 3.153 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCc2cccnc2C)c1 ZINC000903415738 621734549 /nfs/dbraw/zinc/73/45/49/621734549.db2.gz KZUFJJIUIBPDBJ-AWEZNQCLSA-N 1 0 270.376 3.297 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@H]2COC[C@H]2C2CC2)c(O)c1 ZINC000903434743 621745382 /nfs/dbraw/zinc/74/53/82/621745382.db2.gz ARKIPJYMZCLTRT-QEJZJMRPSA-N 1 0 275.392 3.085 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1COC[C@@H]1C1CC1)c1ccc(N(C)C)cc1 ZINC000903437223 621746646 /nfs/dbraw/zinc/74/66/46/621746646.db2.gz MNARORUKXCMMAB-FGTMMUONSA-N 1 0 288.435 3.218 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2ccc(F)c(C)c2)c(O)c1 ZINC000083432616 625519589 /nfs/dbraw/zinc/51/95/89/625519589.db2.gz IMTGGEMXJAYERN-UHFFFAOYSA-N 1 0 259.324 3.438 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CCCC(C)(C)C2)c(O)c1 ZINC000149455587 622313178 /nfs/dbraw/zinc/31/31/78/622313178.db2.gz RWBSHTDGYVAOLZ-CYBMUJFWSA-N 1 0 263.381 3.459 20 10 CGCDRO CCOc1ccc(C[N@@H+]2C[C@@H](C)CC[C@@H]2C)c(O)c1 ZINC000769445667 625569202 /nfs/dbraw/zinc/56/92/02/625569202.db2.gz JZBUSCIDFDXMFJ-STQMWFEESA-N 1 0 263.381 3.411 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCC(C)(C)C)c1 ZINC000163992961 622810676 /nfs/dbraw/zinc/81/06/76/622810676.db2.gz JCEUSVHEJUDEDW-LLVKDONJSA-N 1 0 251.370 3.488 20 10 CGCDRO CCc1nc(C[NH2+]Cc2ccc(C)cc2O)cs1 ZINC000877011236 622884535 /nfs/dbraw/zinc/88/45/35/622884535.db2.gz BEPOZGJETNXPAW-UHFFFAOYSA-N 1 0 262.378 3.009 20 10 CGCDRO CCN(CC)C[C@H](C)[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000045692097 622887065 /nfs/dbraw/zinc/88/70/65/622887065.db2.gz QTCTYFZRBRZXDZ-KBPBESRZSA-N 1 0 264.413 3.082 20 10 CGCDRO CCc1ccc(C[NH2+]CCc2ccc(N)cc2)s1 ZINC000225379484 622908451 /nfs/dbraw/zinc/90/84/51/622908451.db2.gz AIQAESSPIQCJRK-UHFFFAOYSA-N 1 0 260.406 3.225 20 10 CGCDRO CC1(C)C[C@@H]1C[NH2+]Cc1cc(Br)ccc1O ZINC000226256479 622958876 /nfs/dbraw/zinc/95/88/76/622958876.db2.gz BNQSYDYYKDEGHF-SNVBAGLBSA-N 1 0 284.197 3.290 20 10 CGCDRO Cc1ccccc1CC[NH2+]Cc1cc(F)ccc1O ZINC000226581969 622983296 /nfs/dbraw/zinc/98/32/96/622983296.db2.gz UOEMGAWDFIWGOM-UHFFFAOYSA-N 1 0 259.324 3.172 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]CCSC(F)(F)F ZINC000226646483 622992957 /nfs/dbraw/zinc/99/29/57/622992957.db2.gz ISCCPRVEVXJLAK-UHFFFAOYSA-N 1 0 285.718 3.388 20 10 CGCDRO CSCC[C@H](C)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000168787912 623014206 /nfs/dbraw/zinc/01/42/06/623014206.db2.gz ZDLOECZIKKFOGE-VHSXEESVSA-N 1 0 257.374 3.324 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H](C)CC2)c(O)c1 ZINC000227309264 623015655 /nfs/dbraw/zinc/01/56/55/623015655.db2.gz IRIULGXAZDNCBT-TZMCWYRMSA-N 1 0 263.381 3.459 20 10 CGCDRO C[C@H](CCC[NH3+])[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817977839 625630805 /nfs/dbraw/zinc/63/08/05/625630805.db2.gz QESOCVIZPZILDG-RKDXNWHRSA-N 1 0 291.222 3.477 20 10 CGCDRO CCOc1cccc(C[NH2+][C@H]2CC[C@@H](SC)C2)c1O ZINC000230699004 623263496 /nfs/dbraw/zinc/26/34/96/623263496.db2.gz FLSJDJDQLWPVRL-QWHCGFSZSA-N 1 0 281.421 3.165 20 10 CGCDRO C[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])N1CCCCC1 ZINC000062747841 623266170 /nfs/dbraw/zinc/26/61/70/623266170.db2.gz MXURJLWNADMNKE-OLZOCXBDSA-N 1 0 280.387 3.056 20 10 CGCDRO CCC1(C[NH2+]Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000230935142 623285091 /nfs/dbraw/zinc/28/50/91/623285091.db2.gz ZLHYZRYSKMKPFJ-UHFFFAOYSA-N 1 0 269.772 3.334 20 10 CGCDRO Cc1cccn2cc(C[NH2+]Cc3cc(C)c(C)cc3O)nc12 ZINC000174413085 623390997 /nfs/dbraw/zinc/39/09/97/623390997.db2.gz NIIOCDNILRBLPO-UHFFFAOYSA-N 1 0 295.386 3.255 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@](C)(O)CCC(C)C)cc1C ZINC000174423198 623392004 /nfs/dbraw/zinc/39/20/04/623392004.db2.gz FCIMNFHOUSEBKL-KRWDZBQOSA-N 1 0 279.424 3.286 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]Cc1cccc(F)c1 ZINC000083551716 625644923 /nfs/dbraw/zinc/64/49/23/625644923.db2.gz ZAJOAURMZRLCAD-UHFFFAOYSA-N 1 0 265.715 3.475 20 10 CGCDRO CCOc1cccc(C[NH2+][C@H](C(C)C)C2CC2)c1O ZINC000324071689 623501269 /nfs/dbraw/zinc/50/12/69/623501269.db2.gz GHJSWGFPLHBYOK-OAHLLOKOSA-N 1 0 263.381 3.315 20 10 CGCDRO CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)CS1 ZINC000754119496 623811413 /nfs/dbraw/zinc/81/14/13/623811413.db2.gz CMAACCRSFBYVBK-ZBFHGGJFSA-N 1 0 277.433 3.241 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)CCCOC)cc1 ZINC000193709010 624019936 /nfs/dbraw/zinc/01/99/36/624019936.db2.gz BITDQBGSEATELZ-UHFFFAOYSA-N 1 0 264.413 3.001 20 10 CGCDRO CC[C@H](C)[C@](C)(O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000765948088 624034091 /nfs/dbraw/zinc/03/40/91/624034091.db2.gz ZJXXFELULMWHMZ-JJRVBVJISA-N 1 0 278.440 3.200 20 10 CGCDRO Cc1cc(C)cc(OCC[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000920181345 624453743 /nfs/dbraw/zinc/45/37/43/624453743.db2.gz KRMTWHYNJBAGGG-UHFFFAOYSA-N 1 0 297.398 3.407 20 10 CGCDRO CCc1nc(C[NH2+][C@H](C)c2ccccc2O)cs1 ZINC000179882970 624694674 /nfs/dbraw/zinc/69/46/74/624694674.db2.gz KYIIVVMZSGIKEP-SNVBAGLBSA-N 1 0 262.378 3.262 20 10 CGCDRO CS[C@H]1CCCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000180283195 624733907 /nfs/dbraw/zinc/73/39/07/624733907.db2.gz PPNYSJIVWYFXEM-ZDUSSCGKSA-N 1 0 269.385 3.249 20 10 CGCDRO CCc1ccc([C@@H](COC)[NH2+]Cc2cccc(C)c2O)o1 ZINC000182223905 624959780 /nfs/dbraw/zinc/95/97/80/624959780.db2.gz SFLCODHZHUIBPQ-OAHLLOKOSA-N 1 0 289.375 3.333 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)Cc2cc(F)ccc2O)cc1 ZINC000183246633 625056565 /nfs/dbraw/zinc/05/65/65/625056565.db2.gz DDFUWYVHXAZDJS-UHFFFAOYSA-N 1 0 288.366 3.229 20 10 CGCDRO C[C@H]([NH2+]CC(C)(C)N1CCCCC1)c1ccccc1O ZINC000183377090 625067616 /nfs/dbraw/zinc/06/76/16/625067616.db2.gz QCZUTSZAJXOWSA-AWEZNQCLSA-N 1 0 276.424 3.307 20 10 CGCDRO C[C@H]([NH2+]Cc1ccnn1C)c1ccc2ccccc2c1O ZINC000071333086 625078126 /nfs/dbraw/zinc/07/81/26/625078126.db2.gz XAHNREMOLXMGSI-LBPRGKRZSA-N 1 0 281.359 3.130 20 10 CGCDRO Cc1cncc([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2)c1 ZINC000184260727 625216662 /nfs/dbraw/zinc/21/66/62/625216662.db2.gz JYDKZUYBJGAPJM-CQSZACIVSA-N 1 0 269.392 3.307 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)c1ccc(C)cc1O)[C@@H]1CCCO1 ZINC000186182139 625733783 /nfs/dbraw/zinc/73/37/83/625733783.db2.gz KFYCRKZQIBCTBE-NOLJZWGESA-N 1 0 263.381 3.309 20 10 CGCDRO C[C@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)c1cc(F)ccc1O ZINC000186210985 625755447 /nfs/dbraw/zinc/75/54/47/625755447.db2.gz WDLUZIGWFZVRHU-MXWKQRLJSA-N 1 0 267.344 3.138 20 10 CGCDRO CSCCCC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921755548 625865358 /nfs/dbraw/zinc/86/53/58/625865358.db2.gz CHZWQWOTNNPXOA-UHFFFAOYSA-N 1 0 265.422 3.244 20 10 CGCDRO c1cc2c(cc1C[NH2+][C@@H]1CCC[C@@H]3OCC[C@@H]31)CCCO2 ZINC000921841607 625898584 /nfs/dbraw/zinc/89/85/84/625898584.db2.gz HIMWGUIOHJNDHD-NUJGCVRESA-N 1 0 287.403 3.059 20 10 CGCDRO CCC(O)(CC)CC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922043524 625965741 /nfs/dbraw/zinc/96/57/41/625965741.db2.gz BCYFWULASNTLAQ-UHFFFAOYSA-N 1 0 277.408 3.042 20 10 CGCDRO c1cc2c(cc1C[NH2+][C@@H]1CCC[C@]13CCCO3)CCCO2 ZINC000922338526 626000379 /nfs/dbraw/zinc/00/03/79/626000379.db2.gz STRKUSQEHCHAKZ-MSOLQXFVSA-N 1 0 287.403 3.203 20 10 CGCDRO CCOCc1cc(C[NH2+]CC(C)(C)OCC)ccc1OC ZINC000186532495 626006047 /nfs/dbraw/zinc/00/60/47/626006047.db2.gz NHDLGVVHEHVHMI-UHFFFAOYSA-N 1 0 295.423 3.136 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCCOC(C)C)c1 ZINC000186529661 626006732 /nfs/dbraw/zinc/00/67/32/626006732.db2.gz ZEAAULCTVRKXNJ-CYBMUJFWSA-N 1 0 281.396 3.257 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2c(C)cc(CO)cc2C)c1 ZINC000922559745 626012507 /nfs/dbraw/zinc/01/25/07/626012507.db2.gz FRBFWHSFNGRKLH-UHFFFAOYSA-N 1 0 285.387 3.100 20 10 CGCDRO CC(C)(/C=C\Cl)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000922648422 626025373 /nfs/dbraw/zinc/02/53/73/626025373.db2.gz JCLWOAPOSVCVCA-SREVYHEPSA-N 1 0 251.757 3.242 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]C[C@@H]2CCCC3(CCC3)O2)c1 ZINC000922809871 626049613 /nfs/dbraw/zinc/04/96/13/626049613.db2.gz FWNMBFZFSBJLSS-HNNXBMFYSA-N 1 0 275.392 3.282 20 10 CGCDRO C[C@@]1(C[NH2+]Cc2cc(Cl)ccc2O)CCCCO1 ZINC000922816233 626050712 /nfs/dbraw/zinc/05/07/12/626050712.db2.gz HUXDKPDINRZJOM-AWEZNQCLSA-N 1 0 269.772 3.094 20 10 CGCDRO C[C@H]1C[C@@H]([NH2+]Cc2c(O)cccc2Cl)CCS1 ZINC000922836252 626053784 /nfs/dbraw/zinc/05/37/84/626053784.db2.gz LCJOEJUFNFLRHY-UWVGGRQHSA-N 1 0 271.813 3.419 20 10 CGCDRO COc1cc(C)cc(C[N@H+](CC(C)C)C2CC2)c1O ZINC000163920426 626084518 /nfs/dbraw/zinc/08/45/18/626084518.db2.gz ZYPJFAOUIOCERD-UHFFFAOYSA-N 1 0 263.381 3.330 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCCCn2ccnc2)c(O)c1C ZINC000756460470 626093023 /nfs/dbraw/zinc/09/30/23/626093023.db2.gz QBDWFHQGOMJOFE-OAHLLOKOSA-N 1 0 287.407 3.337 20 10 CGCDRO CCOc1ccc(C[NH2+]C[C@]23C[C@H]2CCC3)c(O)c1 ZINC000922965066 626111734 /nfs/dbraw/zinc/11/17/34/626111734.db2.gz UBMAWDPRZYEVOU-CJNGLKHVSA-N 1 0 261.365 3.071 20 10 CGCDRO COCC1(CC[NH2+][C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000842895331 626271710 /nfs/dbraw/zinc/27/17/10/626271710.db2.gz VSGCAXOOXYKOGN-CQSZACIVSA-N 1 0 276.424 3.220 20 10 CGCDRO Oc1ccccc1C[NH2+]Cc1ccccc1OC(F)F ZINC000020131601 634490531 /nfs/dbraw/zinc/49/05/31/634490531.db2.gz YIBMYNZMVKGBBF-UHFFFAOYSA-N 1 0 279.286 3.283 20 10 CGCDRO CCN(CC)c1ccc(C[NH+]2CC(C)(COC)C2)cc1 ZINC000839144934 626316991 /nfs/dbraw/zinc/31/69/91/626316991.db2.gz CXFPAIWOYFWSJV-UHFFFAOYSA-N 1 0 276.424 3.001 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2C2(O)CC2)cc1 ZINC000839144184 626323493 /nfs/dbraw/zinc/32/34/93/626323493.db2.gz SGPMXCFHLKKVRS-QGZVFWFLSA-N 1 0 288.435 3.022 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2C[C@@H](OC)C23CCC3)c1 ZINC000839179534 626326362 /nfs/dbraw/zinc/32/63/62/626326362.db2.gz KUAAHCAFCYPGCR-IUIKQTSFSA-N 1 0 291.391 3.009 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cccc(Cl)c1[O-] ZINC000806138895 626360777 /nfs/dbraw/zinc/36/07/77/626360777.db2.gz DLVQAEUKKQEJCB-SWLSCSKDSA-N 1 0 296.842 3.428 20 10 CGCDRO COC(=O)c1cc2ccccc2c(C[N@@H+]2CCC[C@@H]2C)c1O ZINC000751924136 626411632 /nfs/dbraw/zinc/41/16/32/626411632.db2.gz HAYRWKZWKPCSAK-LBPRGKRZSA-N 1 0 299.370 3.316 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C[C@@H](SC)C(C)(C)C)c1 ZINC000753569369 626455606 /nfs/dbraw/zinc/45/56/06/626455606.db2.gz LQPMJLGUQJBLFR-CQSZACIVSA-N 1 0 283.437 3.268 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1C ZINC000754083813 626474989 /nfs/dbraw/zinc/47/49/89/626474989.db2.gz VHQHMALCKAWFNE-UAGQMJEPSA-N 1 0 287.403 3.051 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H]2c2ccccn2)c1O ZINC000754723394 626584613 /nfs/dbraw/zinc/58/46/13/626584613.db2.gz RNGIVFBUCAENQY-MRXNPFEDSA-N 1 0 298.386 3.441 20 10 CGCDRO OC[C@@H](CC1CC1)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000754832672 626589198 /nfs/dbraw/zinc/58/91/98/626589198.db2.gz JZXMOZGSEZOGQH-GOSISDBHSA-N 1 0 297.398 3.310 20 10 CGCDRO OC[C@H](CC1CC1)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000754832673 626589325 /nfs/dbraw/zinc/58/93/25/626589325.db2.gz JZXMOZGSEZOGQH-SFHVURJKSA-N 1 0 297.398 3.310 20 10 CGCDRO CC[C@H]([NH2+]Cc1cccc(C)c1O)c1nccs1 ZINC000124834632 634517145 /nfs/dbraw/zinc/51/71/45/634517145.db2.gz FXMJACMRWNQGNL-LBPRGKRZSA-N 1 0 262.378 3.398 20 10 CGCDRO COCCCC[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756419351 626704520 /nfs/dbraw/zinc/70/45/20/626704520.db2.gz FBJLPHMHETXVRO-PWSUYJOCSA-N 1 0 267.344 3.096 20 10 CGCDRO CCOCCCC[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756421104 626704580 /nfs/dbraw/zinc/70/45/80/626704580.db2.gz FJAHYZCEPLHREM-DGCLKSJQSA-N 1 0 281.371 3.486 20 10 CGCDRO CCCCN(C)CC[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756573441 626717106 /nfs/dbraw/zinc/71/71/06/626717106.db2.gz BBTVWRLQXSZUHF-GXTWGEPZSA-N 1 0 294.414 3.401 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCC(=O)OC(C)(C)C)c(O)c1C ZINC000756604100 626720039 /nfs/dbraw/zinc/72/00/39/626720039.db2.gz DKDISOIERVCPGG-CYBMUJFWSA-N 1 0 293.407 3.391 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)Cc2ccoc2)c1 ZINC000756641377 626723344 /nfs/dbraw/zinc/72/33/44/626723344.db2.gz VJLGEIXUJIENMW-RYUDHWBXSA-N 1 0 275.348 3.276 20 10 CGCDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(F)cn2)c2c1c(F)ccc2O ZINC000756657220 626725110 /nfs/dbraw/zinc/72/51/10/626725110.db2.gz BONGYBTXDVJFTP-ZANVPECISA-N 1 0 290.313 3.404 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H](CO)c2cccc(F)c2)c(O)c1 ZINC000756711489 626727208 /nfs/dbraw/zinc/72/72/08/626727208.db2.gz LKJJXVJQNZWMJZ-MLGOLLRUSA-N 1 0 289.350 3.224 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](CO)c2cccc(F)c2)c(O)c1 ZINC000756711488 626727300 /nfs/dbraw/zinc/72/73/00/626727300.db2.gz LKJJXVJQNZWMJZ-LRDDRELGSA-N 1 0 289.350 3.224 20 10 CGCDRO C[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)c1cn[nH]c1 ZINC000756774885 626731480 /nfs/dbraw/zinc/73/14/80/626731480.db2.gz DRRYZDZJVHSDFZ-PTRXPTGYSA-N 1 0 275.327 3.154 20 10 CGCDRO CO[C@@H]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(C)cc1O ZINC000756787740 626732278 /nfs/dbraw/zinc/73/22/78/626732278.db2.gz RFJSQBGZILGGBZ-DVOMOZLQSA-N 1 0 263.381 3.166 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCCOCC2)c2c1c(F)ccc2O ZINC000756788737 626732678 /nfs/dbraw/zinc/73/26/78/626732678.db2.gz CJWAKIVQTYLKJY-MDZLAQPJSA-N 1 0 279.355 3.238 20 10 CGCDRO COC1([C@@H](C)[NH2+]Cc2ccc(N(C)C)c(C)c2)CCC1 ZINC000839660957 626771330 /nfs/dbraw/zinc/77/13/30/626771330.db2.gz QHWOQINNDMDAES-CQSZACIVSA-N 1 0 276.424 3.108 20 10 CGCDRO CCN(C)c1ccc(C[NH2+][C@@H](C)[C@@](C)(OC)C2CC2)cc1 ZINC000839639648 626774268 /nfs/dbraw/zinc/77/42/68/626774268.db2.gz ORXRNBCKLYRQHE-KBXCAEBGSA-N 1 0 290.451 3.436 20 10 CGCDRO COC1(C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)CCC1 ZINC000757636925 626796470 /nfs/dbraw/zinc/79/64/70/626796470.db2.gz KYIIOVFACBAUEP-CMPLNLGQSA-N 1 0 279.355 3.238 20 10 CGCDRO CC(C)(C[NH2+]Cc1ccc2c(c1)CCO2)[C@H]1CCCCO1 ZINC000758497872 626846477 /nfs/dbraw/zinc/84/64/77/626846477.db2.gz HKIKYACSXVTQDQ-QGZVFWFLSA-N 1 0 289.419 3.306 20 10 CGCDRO c1cncc([C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C2CC2)c1 ZINC000758625380 626851320 /nfs/dbraw/zinc/85/13/20/626851320.db2.gz UIPXGEYOBRWHGN-SFHVURJKSA-N 1 0 280.371 3.257 20 10 CGCDRO C[C@@H]([NH2+][C@H](CO)CC(F)F)c1ccc2ccccc2c1O ZINC000760038004 626937111 /nfs/dbraw/zinc/93/71/11/626937111.db2.gz LVRLKPVOQIKYAL-PWSUYJOCSA-N 1 0 295.329 3.212 20 10 CGCDRO COc1cc(C[N@@H+]2CC3(CCC3)C[C@@H]2C)c(O)cc1C ZINC000762140889 627094535 /nfs/dbraw/zinc/09/45/35/627094535.db2.gz WRGPXYIOTSBWMZ-ZDUSSCGKSA-N 1 0 275.392 3.474 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCN(CC)C2CC2)cc1 ZINC000765625551 627263760 /nfs/dbraw/zinc/26/37/60/627263760.db2.gz YBNXCFOHMLCCMI-OAHLLOKOSA-N 1 0 289.467 3.278 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]C[C@H]1CCCCN1C1CC1 ZINC000766227067 627305439 /nfs/dbraw/zinc/30/54/39/627305439.db2.gz XITKOJFVGBVBAG-CYBMUJFWSA-N 1 0 294.826 3.152 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCN2CCC[C@H]2C)cc1 ZINC000766273546 627311005 /nfs/dbraw/zinc/31/10/05/627311005.db2.gz QGQIQUOVBAPMNH-HZPDHXFCSA-N 1 0 289.467 3.278 20 10 CGCDRO CC[C@H]1CCC[N@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000768438576 627480164 /nfs/dbraw/zinc/48/01/64/627480164.db2.gz CCFXECRWRQPUAX-ZDUSSCGKSA-N 1 0 263.381 3.331 20 10 CGCDRO COc1cc(C[N@@H+]2CCC[C@@H]2C(C)C)c(O)cc1C ZINC000768442714 627480741 /nfs/dbraw/zinc/48/07/41/627480741.db2.gz MZOOLVJXXSAGLT-CQSZACIVSA-N 1 0 263.381 3.330 20 10 CGCDRO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1cc(OC)c(C)cc1O ZINC000768466428 627481301 /nfs/dbraw/zinc/48/13/01/627481301.db2.gz QGUBITNGZUCIDG-SMDDNHRTSA-N 1 0 263.381 3.330 20 10 CGCDRO CC[N@@H+](Cc1ccc(N(C)C)cc1)C[C@H]1CCCOC1 ZINC000768532592 627484401 /nfs/dbraw/zinc/48/44/01/627484401.db2.gz BPSGCFRUSCDBCY-MRXNPFEDSA-N 1 0 276.424 3.001 20 10 CGCDRO C[C@H]([N@H+](C)Cc1ccc(N2CCOCC2)cc1)C(C)(C)C ZINC000768545176 627485885 /nfs/dbraw/zinc/48/58/85/627485885.db2.gz VBKMYUMCGTVWJX-HNNXBMFYSA-N 1 0 290.451 3.390 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCOC(C)(C)C2)cc1 ZINC000768842503 627503563 /nfs/dbraw/zinc/50/35/63/627503563.db2.gz XSXWSNODWKCPJS-UHFFFAOYSA-N 1 0 276.424 3.144 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)CC(C)(C)C)cc1F ZINC000768938178 627510139 /nfs/dbraw/zinc/51/01/39/627510139.db2.gz WMPLZOMRIKUQRV-UHFFFAOYSA-N 1 0 252.377 3.370 20 10 CGCDRO CC(C)(C)[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000769319720 627540729 /nfs/dbraw/zinc/54/07/29/627540729.db2.gz YDCXFTCTTTVITO-HNNXBMFYSA-N 1 0 277.364 3.131 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CCc3ccsc3C2)c(O)c1 ZINC000769433413 627551797 /nfs/dbraw/zinc/55/17/97/627551797.db2.gz JGHXZEVTRZRONZ-UHFFFAOYSA-N 1 0 289.400 3.411 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CCc2cccc(F)c2C1 ZINC000769436746 627552128 /nfs/dbraw/zinc/55/21/28/627552128.db2.gz XLCIXCVRZBGVLS-UHFFFAOYSA-N 1 0 287.334 3.098 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@@H](C)CC[C@H]2C)c1 ZINC000769445162 627552626 /nfs/dbraw/zinc/55/26/26/627552626.db2.gz FRNHKWSXNXSIOF-QWHCGFSZSA-N 1 0 263.381 3.411 20 10 CGCDRO CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000769448551 627553327 /nfs/dbraw/zinc/55/33/27/627553327.db2.gz ULERGGPDSMODHS-WBVHZDCISA-N 1 0 288.435 3.144 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@H](C)C[C@@H]2CC)c1 ZINC000769447741 627553638 /nfs/dbraw/zinc/55/36/38/627553638.db2.gz KHVRSLAIPMZRAS-OCCSQVGLSA-N 1 0 263.381 3.411 20 10 CGCDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2c(O)cccc2OC)C1(C)C ZINC000769474122 627557993 /nfs/dbraw/zinc/55/79/93/627557993.db2.gz RTZIHBOSAKCTEC-HZPDHXFCSA-N 1 0 293.407 3.036 20 10 CGCDRO CCOc1ccc(C[N@H+](C[C@H](C)OC)C(C)C)c(O)c1 ZINC000769475291 627558038 /nfs/dbraw/zinc/55/80/38/627558038.db2.gz VVQWHVDOWYYLBF-ZDUSSCGKSA-N 1 0 281.396 3.036 20 10 CGCDRO CC1(C)[C@@H]2C[N@@H+](Cc3c(O)cccc3Cl)C[C@@H]21 ZINC000769487749 627559310 /nfs/dbraw/zinc/55/93/10/627559310.db2.gz LGNHOYHWJNBENK-PHIMTYICSA-N 1 0 251.757 3.133 20 10 CGCDRO COc1cccc(O)c1C[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000769486114 627559357 /nfs/dbraw/zinc/55/93/57/627559357.db2.gz SPILOSNGICGTKC-UHFFFAOYSA-N 1 0 287.281 3.095 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](CO)c2ccsc2)c(O)c1 ZINC000769985573 627594919 /nfs/dbraw/zinc/59/49/19/627594919.db2.gz MUEDCZGCEANEDM-FZMZJTMJSA-N 1 0 277.389 3.146 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](CO)c2ccsc2)c(O)c1C ZINC000769983988 627594996 /nfs/dbraw/zinc/59/49/96/627594996.db2.gz CAFSFVRGGAOOGT-DOMZBBRYSA-N 1 0 291.416 3.455 20 10 CGCDRO CCOCC[N@H+](C)Cc1cc(C)cc(C(C)(C)C)c1O ZINC000771642799 627724362 /nfs/dbraw/zinc/72/43/62/627724362.db2.gz UJFSUMFCLVWJLL-UHFFFAOYSA-N 1 0 279.424 3.466 20 10 CGCDRO CC(C)[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2O)CCO1 ZINC000771893753 627742002 /nfs/dbraw/zinc/74/20/02/627742002.db2.gz QLWCQPIJPCZRJX-ZFWWWQNUSA-N 1 0 283.799 3.339 20 10 CGCDRO CCC1(O)CCC([NH2+][C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000772464502 627793438 /nfs/dbraw/zinc/79/34/38/627793438.db2.gz BHPVMXQWOWSXCU-NXVRBGIVSA-N 1 0 290.451 3.487 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)c(C)c1)C1CCOCC1 ZINC000772996846 627839676 /nfs/dbraw/zinc/83/96/76/627839676.db2.gz HVNWMHOFKSJAJD-QGZVFWFLSA-N 1 0 290.451 3.356 20 10 CGCDRO CC[C@H](O)CCC[NH2+][C@@H](CC)c1ccc(N(C)C)cc1 ZINC000773016702 627843372 /nfs/dbraw/zinc/84/33/72/627843372.db2.gz QOXRHSAKDIBIIK-IRXDYDNUSA-N 1 0 278.440 3.344 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCOC(C)(C)[C@@H]2C)cc1 ZINC000773765139 627912817 /nfs/dbraw/zinc/91/28/17/627912817.db2.gz GUNBCTRQQGTRFM-AWEZNQCLSA-N 1 0 276.424 3.142 20 10 CGCDRO CCCN(Cc1cccc(OCC)n1)c1ccc(C[NH3+])cc1 ZINC000775146802 628066977 /nfs/dbraw/zinc/06/69/77/628066977.db2.gz IKPJBBWXCMHYDU-UHFFFAOYSA-N 1 0 299.418 3.356 20 10 CGCDRO CC[C@H]([NH2+]C[C@H](C)C[C@@H](C)O)c1cc(Cl)ccc1O ZINC000775510271 628102525 /nfs/dbraw/zinc/10/25/25/628102525.db2.gz ZKSKMBZGFUORCB-GYSYKLTISA-N 1 0 285.815 3.493 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H](O)c1ccc(C)o1)c1ccccc1O ZINC000775509626 628102734 /nfs/dbraw/zinc/10/27/34/628102734.db2.gz NWZCWCODCSKEAH-HIFRSBDPSA-N 1 0 275.348 3.068 20 10 CGCDRO C/C=C\C[C@H](CO)[NH2+][C@H](CC)c1cc(Cl)ccc1O ZINC000775554387 628105592 /nfs/dbraw/zinc/10/55/92/628105592.db2.gz ITWUBEUQCKIVLM-MOBDVTQCSA-N 1 0 283.799 3.413 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCC[C@H]2c2ccccn2)c1O ZINC000775650421 628119974 /nfs/dbraw/zinc/11/99/74/628119974.db2.gz CGJLDURNMWPZDP-INIZCTEOSA-N 1 0 268.360 3.433 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)Cc2cccc(O)c2)c1 ZINC000776174223 628176118 /nfs/dbraw/zinc/17/61/18/628176118.db2.gz FAYBQKMOWVUFGQ-ZDUSSCGKSA-N 1 0 271.360 3.127 20 10 CGCDRO COc1ccc2ccc(O)c(C[N@H+]3CC=CCC3)c2c1 ZINC000778576135 628358687 /nfs/dbraw/zinc/35/86/87/628358687.db2.gz AYCLMMFFJSUJRP-UHFFFAOYSA-N 1 0 269.344 3.316 20 10 CGCDRO CC[C@]1(O)CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000779217828 628394726 /nfs/dbraw/zinc/39/47/26/628394726.db2.gz CMOGAMUIHUYTMM-IBGZPJMESA-N 1 0 297.398 3.406 20 10 CGCDRO COc1cccc(C[NH2+][C@@H](CC(F)(F)F)C(C)C)c1O ZINC000782543822 628653798 /nfs/dbraw/zinc/65/37/98/628653798.db2.gz QHZMMYNTIIYLNJ-NSHDSACASA-N 1 0 291.313 3.467 20 10 CGCDRO C[C@H]([NH2+]CC[C@H]1COc2ccccc2O1)c1ccccc1O ZINC000783519811 628720790 /nfs/dbraw/zinc/72/07/90/628720790.db2.gz UHSLKKVUHZBLTD-KBPBESRZSA-N 1 0 299.370 3.273 20 10 CGCDRO Cc1cccc(CNc2ccccc2CC[NH+](C)C)c1O ZINC000783744662 628744445 /nfs/dbraw/zinc/74/44/45/628744445.db2.gz XOTCVDJVXMIGEF-UHFFFAOYSA-N 1 0 284.403 3.417 20 10 CGCDRO CCOc1ccc(C[NH2+]C[C@@H]2CCCCS2)c(O)c1 ZINC000784618916 628825281 /nfs/dbraw/zinc/82/52/81/628825281.db2.gz VFQLADRMURNQOX-AWEZNQCLSA-N 1 0 281.421 3.166 20 10 CGCDRO COc1cccc(O)c1C[NH2+]Cc1cscc1C ZINC000785520738 628869248 /nfs/dbraw/zinc/86/92/48/628869248.db2.gz BJIMHSSFCUQNLZ-UHFFFAOYSA-N 1 0 263.362 3.061 20 10 CGCDRO CC1(C)C[N@H+](Cc2cc(F)ccc2O)CC2(CCCC2)O1 ZINC000785989161 628905444 /nfs/dbraw/zinc/90/54/44/628905444.db2.gz SQLOQPSAONDEAN-UHFFFAOYSA-N 1 0 293.382 3.455 20 10 CGCDRO COc1ccc(C[NH2+][C@H](CO)Cc2ccc(C)cc2)cc1C ZINC000786165202 628917117 /nfs/dbraw/zinc/91/71/17/628917117.db2.gz SYRSRQUCDMFRSN-SFHVURJKSA-N 1 0 299.414 3.005 20 10 CGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@H]2CCC[C@@H]2C)c1O ZINC000787994710 629038131 /nfs/dbraw/zinc/03/81/31/629038131.db2.gz KTMOMCNAJRTDSF-XPTSAGLGSA-N 1 0 265.328 3.012 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCc2ccc(CO)cc2)c(O)c1 ZINC000788687635 629073402 /nfs/dbraw/zinc/07/34/02/629073402.db2.gz CFLKSPAHCQGOBR-OAHLLOKOSA-N 1 0 299.414 3.395 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@]2(C)CO)cc1F ZINC000789557448 629145066 /nfs/dbraw/zinc/14/50/66/629145066.db2.gz HTXSOAFEJMBZPD-QGZVFWFLSA-N 1 0 294.414 3.019 20 10 CGCDRO CC(C)C[C@@]1(CO)CCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000789593153 629149267 /nfs/dbraw/zinc/14/92/67/629149267.db2.gz NMRJWNFWOKKDSW-MRXNPFEDSA-N 1 0 297.826 3.419 20 10 CGCDRO CC(C)C[C@]1(CO)CCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000789593151 629149483 /nfs/dbraw/zinc/14/94/83/629149483.db2.gz NMRJWNFWOKKDSW-INIZCTEOSA-N 1 0 297.826 3.419 20 10 CGCDRO CCOC(=O)CC1([NH2+]Cc2cc(C)ccc2O)CCCC1 ZINC000789778146 629167761 /nfs/dbraw/zinc/16/77/61/629167761.db2.gz DZDWSQCQXIHZDH-UHFFFAOYSA-N 1 0 291.391 3.056 20 10 CGCDRO CC[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000125512389 634715509 /nfs/dbraw/zinc/71/55/09/634715509.db2.gz QABUBOYMEHCACL-SFHVURJKSA-N 1 0 288.435 3.288 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCSC2)c2c1c(F)ccc2O ZINC000790495640 629213648 /nfs/dbraw/zinc/21/36/48/629213648.db2.gz JUTBFQNNYXHEAA-SCVCMEIPSA-N 1 0 281.396 3.422 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2N(C)CCCC2(C)C)c1 ZINC000790498875 629214425 /nfs/dbraw/zinc/21/44/25/629214425.db2.gz VCMBNVXYACZISC-RHSMWYFYSA-N 1 0 290.451 3.472 20 10 CGCDRO CC(C)[C@H]([NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F)C(C)(C)O ZINC000790701328 629225985 /nfs/dbraw/zinc/22/59/85/629225985.db2.gz KPPRKKUMOHPCCC-IETSOEAISA-N 1 0 295.398 3.465 20 10 CGCDRO COC1(C[NH2+]Cc2ccc(N(C)C)cc2C)CCCC1 ZINC000790964910 629243835 /nfs/dbraw/zinc/24/38/35/629243835.db2.gz RBUQQAARKDDTCA-UHFFFAOYSA-N 1 0 276.424 3.110 20 10 CGCDRO CO[C@H]1CC[N@H+](Cc2cc(F)c(N(C)C)cc2F)[C@H](C)C1 ZINC000862353850 629347497 /nfs/dbraw/zinc/34/74/97/629347497.db2.gz CAGIPUNHJGFAST-YPMHNXCESA-N 1 0 298.377 3.030 20 10 CGCDRO CN(C)c1ccc(C[NH+]2CCCC2)c(C(F)(F)F)c1 ZINC000792767592 629380200 /nfs/dbraw/zinc/38/02/00/629380200.db2.gz UKUNNAGZQJTCIB-UHFFFAOYSA-N 1 0 272.314 3.367 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H]2CS[C@@H](C(C)C)C2)c1 ZINC000862478859 629385287 /nfs/dbraw/zinc/38/52/87/629385287.db2.gz SYSLJNOUPNNRRU-UKRRQHHQSA-N 1 0 265.422 3.320 20 10 CGCDRO C/C=C/C[NH2+]Cc1cc(Br)cc(C)c1O ZINC000862531124 629392433 /nfs/dbraw/zinc/39/24/33/629392433.db2.gz XBEQXQMCHHAIBM-ONEGZZNKSA-N 1 0 270.170 3.129 20 10 CGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@@H](C)C1CCOCC1 ZINC000793193332 629426409 /nfs/dbraw/zinc/42/64/09/629426409.db2.gz VBYKKMZZOWZPPX-AWEZNQCLSA-N 1 0 276.424 3.177 20 10 CGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@H](C)C1CCOCC1 ZINC000793193333 629426846 /nfs/dbraw/zinc/42/68/46/629426846.db2.gz VBYKKMZZOWZPPX-CQSZACIVSA-N 1 0 276.424 3.177 20 10 CGCDRO C[C@@H]1C[C@H](C)[N@H+]1Cc1cc(Br)ccc1O ZINC000793219946 629430593 /nfs/dbraw/zinc/43/05/93/629430593.db2.gz ILTYPCUGJKZCBW-DTORHVGOSA-N 1 0 270.170 3.137 20 10 CGCDRO COCCC1([NH2+]Cc2cc(Cl)cc(OC)c2O)CCC1 ZINC000793329140 629444189 /nfs/dbraw/zinc/44/41/89/629444189.db2.gz IKOLPTZKNRBGQV-UHFFFAOYSA-N 1 0 299.798 3.103 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H]2CC[C@@H](C)C2)c1 ZINC000793346840 629446000 /nfs/dbraw/zinc/44/60/00/629446000.db2.gz NCGBXPTUGWCLOL-CHWSQXEVSA-N 1 0 263.381 3.317 20 10 CGCDRO CCCC[C@H](CC)[NH2+]Cc1ccc(OC)cc1O ZINC000793388090 629452524 /nfs/dbraw/zinc/45/25/24/629452524.db2.gz LQCSVIMKWAYIKQ-ZDUSSCGKSA-N 1 0 251.370 3.459 20 10 CGCDRO COc1ccc(C[NH2+]Cc2cccc3cnccc32)c(O)c1 ZINC000793389091 629453062 /nfs/dbraw/zinc/45/30/62/629453062.db2.gz VFYUUENJGFZMQD-UHFFFAOYSA-N 1 0 294.354 3.239 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCCCC[C@H]2CCO)cc1C ZINC000793607897 629490152 /nfs/dbraw/zinc/49/01/52/629490152.db2.gz FPHUKZBRSMVRMJ-INIZCTEOSA-N 1 0 277.408 3.136 20 10 CGCDRO CC[C@H]([NH2+]CCN(CC)CC)c1ccc(C)cc1O ZINC000794795193 629577275 /nfs/dbraw/zinc/57/72/75/629577275.db2.gz OVLUKIGTLAGAQH-HNNXBMFYSA-N 1 0 264.413 3.083 20 10 CGCDRO CC[C@@H]([NH2+]CCN1CCCCC1)c1ccc(C)cc1O ZINC000794791865 629577579 /nfs/dbraw/zinc/57/75/79/629577579.db2.gz JTCQIROCZHOBKQ-MRXNPFEDSA-N 1 0 276.424 3.227 20 10 CGCDRO C[C@H](N[C@H]1CC[C@@H](C)[NH2+]C1)c1ccc2ccccc2c1O ZINC000863548492 629602843 /nfs/dbraw/zinc/60/28/43/629602843.db2.gz YERJXLNACHMJSG-IPYPFGDCSA-N 1 0 284.403 3.337 20 10 CGCDRO CO[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000864054543 629748142 /nfs/dbraw/zinc/74/81/42/629748142.db2.gz URRKRUCOJSNPLX-DGCLKSJQSA-N 1 0 298.377 3.030 20 10 CGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@H](O)CCC(C)C ZINC000796444709 629781657 /nfs/dbraw/zinc/78/16/57/629781657.db2.gz HYKBBWXCDMNABJ-MRXNPFEDSA-N 1 0 279.424 3.401 20 10 CGCDRO CCc1ccc([C@@H](O)C[NH2+]Cc2ccc(N(C)C)cc2)cc1 ZINC000796452340 629783018 /nfs/dbraw/zinc/78/30/18/629783018.db2.gz UTASVXMSLWHGJS-IBGZPJMESA-N 1 0 298.430 3.138 20 10 CGCDRO Cn1ccnc1[C@H]([NH2+]Cc1cc(Cl)ccc1O)C1CC1 ZINC000796465261 629785979 /nfs/dbraw/zinc/78/59/79/629785979.db2.gz HSSVMLGACHZYEU-CQSZACIVSA-N 1 0 291.782 3.020 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CC2(C(F)(F)F)CC2)cc1 ZINC000796492203 629790222 /nfs/dbraw/zinc/79/02/22/629790222.db2.gz YUMNOQCRTPLTEX-UHFFFAOYSA-N 1 0 272.314 3.185 20 10 CGCDRO CC[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(F)cc1[O-] ZINC000796676021 629813781 /nfs/dbraw/zinc/81/37/81/629813781.db2.gz PNEFORMDKVJYNQ-MRXNPFEDSA-N 1 0 294.414 3.448 20 10 CGCDRO CCOc1ccc(C[NH2+]C[C@H]2CCC(F)(F)C2)c(O)c1 ZINC000797468041 629950127 /nfs/dbraw/zinc/95/01/27/629950127.db2.gz HBRXFAMBCSPNEV-NSHDSACASA-N 1 0 285.334 3.316 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CC[C@@H](c3ccccn3)C2)c(O)c1 ZINC000798965586 630132176 /nfs/dbraw/zinc/13/21/76/630132176.db2.gz UWMMEZIWGNJLNO-CQSZACIVSA-N 1 0 298.386 3.175 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H](CCO)Cc2ccccc2)cc1C ZINC000799350668 630173698 /nfs/dbraw/zinc/17/36/98/630173698.db2.gz VUAQCFHKPGNFHF-SFHVURJKSA-N 1 0 299.414 3.092 20 10 CGCDRO CC[C@H]([NH2+][C@@H](CCO)Cc1ccccc1)c1ccccc1O ZINC000799730249 630226872 /nfs/dbraw/zinc/22/68/72/630226872.db2.gz CUTLVGKCNYOZSW-WMZOPIPTSA-N 1 0 299.414 3.427 20 10 CGCDRO CO[C@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])[C@@H](C)C1 ZINC000799738423 630229465 /nfs/dbraw/zinc/22/94/65/630229465.db2.gz YRACCIYSSKEGKT-CABZTGNLSA-N 1 0 287.762 3.184 20 10 CGCDRO CCOc1ccc(C[NH2+][C@@H]2CCCC23CC3)c(O)c1 ZINC000865656896 630261629 /nfs/dbraw/zinc/26/16/29/630261629.db2.gz UKLMQLWNSQLOBO-OAHLLOKOSA-N 1 0 261.365 3.213 20 10 CGCDRO CCCC[N@H+](CCN1CCCC1)Cc1ccccc1O ZINC000801596934 630346392 /nfs/dbraw/zinc/34/63/92/630346392.db2.gz ULFGESABDDJCCS-UHFFFAOYSA-N 1 0 276.424 3.090 20 10 CGCDRO CC[C@H]([NH2+]CC1=CCCOC1)c1ccc(N(C)C)cc1 ZINC000806177800 630553831 /nfs/dbraw/zinc/55/38/31/630553831.db2.gz KLFUAVDBQWUAFO-KRWDZBQOSA-N 1 0 274.408 3.140 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@](C)(F)C2)c1O ZINC000840098639 630592596 /nfs/dbraw/zinc/59/25/96/630592596.db2.gz DSOAWFFCHDXJGD-OAHLLOKOSA-N 1 0 267.344 3.033 20 10 CGCDRO CO[C@H]1CC[N@H+](Cc2cc3c(cc2O)CCC3)CC1(C)C ZINC000840125813 630607833 /nfs/dbraw/zinc/60/78/33/630607833.db2.gz IZPIZGOKMBLGMQ-KRWDZBQOSA-N 1 0 289.419 3.128 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](CO)C(C)C)cc1F ZINC000808422613 630643687 /nfs/dbraw/zinc/64/36/87/630643687.db2.gz WHAANKYXSVZESL-HNNXBMFYSA-N 1 0 296.430 3.026 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@@]3(CCOC3)C2)c1 ZINC000840141492 630657210 /nfs/dbraw/zinc/65/72/10/630657210.db2.gz PZDRQIFYZAZJTE-QGZVFWFLSA-N 1 0 275.392 3.012 20 10 CGCDRO CCC[C@@H](O)C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808694636 630665875 /nfs/dbraw/zinc/66/58/75/630665875.db2.gz FOGGQDFJGFEVBR-CMPLNLGQSA-N 1 0 271.788 3.166 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](C)C[C@@H](C)O)c1O ZINC000808697743 630666370 /nfs/dbraw/zinc/66/63/70/630666370.db2.gz SOIJZFVEBQNLJY-WCQGTBRESA-N 1 0 285.815 3.412 20 10 CGCDRO COCC1([NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)CC1 ZINC000808711928 630669060 /nfs/dbraw/zinc/66/90/60/630669060.db2.gz WLPRLFZSIXLFOO-JTQLQIEISA-N 1 0 269.772 3.184 20 10 CGCDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000809728771 630793313 /nfs/dbraw/zinc/79/33/13/630793313.db2.gz HKHDJHMVMXPSNA-OAHLLOKOSA-N 1 0 272.323 3.263 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H]2c2cccnc2)c1 ZINC000809728523 630793419 /nfs/dbraw/zinc/79/34/19/630793419.db2.gz AJZFPVZJMRZZKD-MRXNPFEDSA-N 1 0 268.360 3.433 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000809728567 630793980 /nfs/dbraw/zinc/79/39/80/630793980.db2.gz BRUDWMMKQZQOTL-OAHLLOKOSA-N 1 0 254.333 3.124 20 10 CGCDRO COc1cccc(C[NH2+][C@H]2CC(C)(C)C[C@H]2C)c1O ZINC000809740052 630796414 /nfs/dbraw/zinc/79/64/14/630796414.db2.gz KLYLGOUWWRFKQC-YPMHNXCESA-N 1 0 263.381 3.315 20 10 CGCDRO COc1cccc(C[NH2+][C@H]2CCC[C@@H]2C(C)C)c1O ZINC000809739832 630796560 /nfs/dbraw/zinc/79/65/60/630796560.db2.gz FHENXCBCSIRMCR-KGLIPLIRSA-N 1 0 263.381 3.315 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)CN(C)C(C)C)c1ccc(C)cc1O ZINC000810254788 630859900 /nfs/dbraw/zinc/85/99/00/630859900.db2.gz RRWUVDSKTWDVEM-ZBFHGGJFSA-N 1 0 278.440 3.470 20 10 CGCDRO COCC1(CC[NH2+][C@@H](C)c2ccc(C)c(C)c2O)CC1 ZINC000842891632 635505343 /nfs/dbraw/zinc/50/53/43/635505343.db2.gz ZEDCFLVKGCCJPS-AWEZNQCLSA-N 1 0 277.408 3.476 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccc3cnn(C)c3c2)c1 ZINC000812736512 631298886 /nfs/dbraw/zinc/29/88/86/631298886.db2.gz CBNZWOXFEUSGLS-ZDUSSCGKSA-N 1 0 295.386 3.438 20 10 CGCDRO C=Cc1ccc(CC[NH2+]Cc2cc3c(cc2O)OCO3)cc1 ZINC000812773300 631306104 /nfs/dbraw/zinc/30/61/04/631306104.db2.gz SUYTWEMRHMQFEK-UHFFFAOYSA-N 1 0 297.354 3.096 20 10 CGCDRO CC[N@H+](Cc1ccc(N2CCCCC2)cc1)[C@H]1CCOC1 ZINC000812780678 631307220 /nfs/dbraw/zinc/30/72/20/631307220.db2.gz NJCVTFHNFHTFDS-SFHVURJKSA-N 1 0 288.435 3.288 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CC(C)(C)COC)cc1 ZINC000813882785 631475907 /nfs/dbraw/zinc/47/59/07/631475907.db2.gz KEVBUCRTGGRUHB-CQSZACIVSA-N 1 0 278.440 3.466 20 10 CGCDRO Cc1cc(C[N@H+](CCO)Cc2ccccc2)ccc1N(C)C ZINC000815037519 631706304 /nfs/dbraw/zinc/70/63/04/631706304.db2.gz NKGPXJAHKNRHKI-UHFFFAOYSA-N 1 0 298.430 3.056 20 10 CGCDRO Cc1cc(C[N@H+]2CCS[C@@H](C)[C@@H]2C)ccc1N(C)C ZINC000815050641 631707312 /nfs/dbraw/zinc/70/73/12/631707312.db2.gz DKDKCNBTPMEGIM-KBPBESRZSA-N 1 0 278.465 3.387 20 10 CGCDRO CSC[C@@H]1CCC[N@@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000815061725 631709127 /nfs/dbraw/zinc/70/91/27/631709127.db2.gz FVYGLSZSEDKLSH-HNNXBMFYSA-N 1 0 278.465 3.388 20 10 CGCDRO Cc1cc(C[N@@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)ccc1N(C)C ZINC000815102208 631717546 /nfs/dbraw/zinc/71/75/46/631717546.db2.gz HEPMETZQIIASQG-KSSFIOAISA-N 1 0 288.435 3.060 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCCC[C@H]2C[C@H](C)O)cc1 ZINC000815103333 631717631 /nfs/dbraw/zinc/71/76/31/631717631.db2.gz PCVFGQMABQTBGO-YJBOKZPZSA-N 1 0 290.451 3.268 20 10 CGCDRO COC(C)(C)[C@@H](C)[NH2+]CCCSc1nccs1 ZINC000815581354 631799110 /nfs/dbraw/zinc/79/91/10/631799110.db2.gz CZNUVPNGKJIVNH-SNVBAGLBSA-N 1 0 274.455 3.028 20 10 CGCDRO CCC[C@](C)(O)C[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000815579730 631799333 /nfs/dbraw/zinc/79/93/33/631799333.db2.gz TYNJFIXMHKAFQN-BBRMVZONSA-N 1 0 265.397 3.211 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2ncccc2F)c(O)c1 ZINC000815598174 631803609 /nfs/dbraw/zinc/80/36/09/631803609.db2.gz OLRGMHOHOOOLOS-LBPRGKRZSA-N 1 0 274.339 3.394 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)C(C)(C)O ZINC000815652286 631813363 /nfs/dbraw/zinc/81/33/63/631813363.db2.gz WJXSGNUKIXDRMD-SJCJKPOMSA-N 1 0 291.435 3.471 20 10 CGCDRO C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc3ccccc3c2O)CCN1C ZINC000816514795 631999718 /nfs/dbraw/zinc/99/97/18/631999718.db2.gz HSENTTWRGDGLOQ-PBHICJAKSA-N 1 0 298.430 3.460 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000816549009 632008684 /nfs/dbraw/zinc/00/86/84/632008684.db2.gz ADOAHKHIVVAQMM-OAHLLOKOSA-N 1 0 298.430 3.487 20 10 CGCDRO Oc1c(C[NH2+]C[C@@H]2CCC[C@@H](O)C2)ccc2ccccc21 ZINC000816553502 632009764 /nfs/dbraw/zinc/00/97/64/632009764.db2.gz XRRAUVWAZIUGSF-CZUORRHYSA-N 1 0 285.387 3.186 20 10 CGCDRO CS[C@H](C)C[NH2+]Cc1ccc2ccccc2c1O ZINC000816558081 632011918 /nfs/dbraw/zinc/01/19/18/632011918.db2.gz MGTCDWRDFFHMDE-LLVKDONJSA-N 1 0 261.390 3.387 20 10 CGCDRO Oc1c(C[N@@H+]2CCO[C@@H](C3CC3)C2)ccc2ccccc21 ZINC000816574175 632016388 /nfs/dbraw/zinc/01/63/88/632016388.db2.gz ZENTZYBXKGDOCC-QGZVFWFLSA-N 1 0 283.371 3.156 20 10 CGCDRO [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000816603250 632020592 /nfs/dbraw/zinc/02/05/92/632020592.db2.gz DDWQMLSIVDXXGU-OAHLLOKOSA-N 1 0 299.773 3.187 20 10 CGCDRO CN(CC[N@H+](C)Cc1ccc2ccccc2c1O)C1CC1 ZINC000816611024 632022760 /nfs/dbraw/zinc/02/27/60/632022760.db2.gz GGOANBOOOZJCNR-UHFFFAOYSA-N 1 0 284.403 3.071 20 10 CGCDRO CC[N@@H+](Cc1ccc2ccccc2c1O)C[C@H](C)OC ZINC000816617383 632024065 /nfs/dbraw/zinc/02/40/65/632024065.db2.gz XKTLECLCGGEMFO-ZDUSSCGKSA-N 1 0 273.376 3.402 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]C[C@H](O)c1ccc(Cl)cc1 ZINC000816618646 632024656 /nfs/dbraw/zinc/02/46/56/632024656.db2.gz DLEQKTDAAHYVIH-HNNXBMFYSA-N 1 0 295.741 3.008 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(C)nc(C)c2)c1 ZINC000817409509 632141293 /nfs/dbraw/zinc/14/12/93/632141293.db2.gz CXXUVFKZNZAIED-CYBMUJFWSA-N 1 0 286.375 3.263 20 10 CGCDRO CCOc1ccc(O)c(C[N@H+]2C[C@@H](CC)O[C@@H](CC)C2)c1 ZINC000817413513 632143526 /nfs/dbraw/zinc/14/35/26/632143526.db2.gz YRDPEGUYBAIFJB-GASCZTMLSA-N 1 0 293.407 3.180 20 10 CGCDRO Cc1ccc([C@H](C)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)o1 ZINC000817938686 632239144 /nfs/dbraw/zinc/23/91/44/632239144.db2.gz PUWDELWFIJWUSM-BBRMVZONSA-N 1 0 287.407 3.005 20 10 CGCDRO C[C@H](N[C@@H]1CC[NH2+]C1)c1ccc(N2CCCCCC2)cc1 ZINC000817945146 632241666 /nfs/dbraw/zinc/24/16/66/632241666.db2.gz VTXOMYGDRHUGRX-DOTOQJQBSA-N 1 0 287.451 3.080 20 10 CGCDRO C[C@H]([NH2+]C[C@H](N)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000817955093 632250129 /nfs/dbraw/zinc/25/01/29/632250129.db2.gz QCWVPTPARIIKHV-KSSFIOAISA-N 1 0 283.419 3.103 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](CN)CC(C)C)c1ccc(C)cc1O ZINC000817959772 632254617 /nfs/dbraw/zinc/25/46/17/632254617.db2.gz UVVNLDZKFOUWQL-UKRRQHHQSA-N 1 0 264.413 3.115 20 10 CGCDRO CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000817958790 632255044 /nfs/dbraw/zinc/25/50/44/632255044.db2.gz MNHROKLXHLEQBD-CABZTGNLSA-N 1 0 290.329 3.045 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1cccc(Cl)c1[O-] ZINC000817970216 632263143 /nfs/dbraw/zinc/26/31/43/632263143.db2.gz OQZANPSQUQPFQM-DDTOSNHZSA-N 1 0 282.815 3.084 20 10 CGCDRO CC[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccc(F)cc1[O-] ZINC000817980637 632271270 /nfs/dbraw/zinc/27/12/70/632271270.db2.gz LZOJEGNJXGFBGO-DZGCQCFKSA-N 1 0 280.387 3.104 20 10 CGCDRO C[C@@H](N[C@H]1CCCC[NH2+]C1)c1ccc2ccccc2c1O ZINC000817984744 632274760 /nfs/dbraw/zinc/27/47/60/632274760.db2.gz YQGVKDPHCKEXAD-HIFRSBDPSA-N 1 0 284.403 3.338 20 10 CGCDRO COc1ccc(N2CC[C@H](C[NH2+]CC(C)(C)C)C2)cc1 ZINC000818222319 632298971 /nfs/dbraw/zinc/29/89/71/632298971.db2.gz WQIKIAQVFUFIFZ-CQSZACIVSA-N 1 0 276.424 3.157 20 10 CGCDRO c1cc(C[NH2+]C[C@@H]2C[C@H]2C2CCC2)cc2c1OCC2 ZINC000818223081 632299057 /nfs/dbraw/zinc/29/90/57/632299057.db2.gz OGANIPRLJZRLAW-HOTGVXAUSA-N 1 0 257.377 3.147 20 10 CGCDRO CC(C)CC[C@H](O)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000818953934 632356856 /nfs/dbraw/zinc/35/68/56/632356856.db2.gz OWDZEIRPNSGJLJ-SFHVURJKSA-N 1 0 290.451 3.174 20 10 CGCDRO C[C@@H](O)C[NH2+]Cc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000819290497 632421671 /nfs/dbraw/zinc/42/16/71/632421671.db2.gz HMWVSOGKPGITFG-QWHCGFSZSA-N 1 0 296.842 3.047 20 10 CGCDRO C[C@@H](c1ccncc1)N1CCCc2cc(C[NH3+])ccc21 ZINC000844220619 635833881 /nfs/dbraw/zinc/83/38/81/635833881.db2.gz ZEYKKCQSXAVYOW-ZDUSSCGKSA-N 1 0 267.376 3.054 20 10 CGCDRO C[C@H]1C[C@H]([NH2+]CC(C)(C)F)c2c1c(F)ccc2O ZINC000866407788 633126392 /nfs/dbraw/zinc/12/63/92/633126392.db2.gz CDUKIGZVPPTIKI-WPRPVWTQSA-N 1 0 255.308 3.417 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CC[C@H](O)C(F)F)c1O ZINC000866443222 633133635 /nfs/dbraw/zinc/13/36/35/633133635.db2.gz YPUIXAVHYITSAI-KWQFWETISA-N 1 0 293.741 3.021 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cc(F)ncc1F ZINC000823848361 633158782 /nfs/dbraw/zinc/15/87/82/633158782.db2.gz URJRHCWPFYNKPZ-UHFFFAOYSA-N 1 0 291.345 3.024 20 10 CGCDRO CC[C@@H]([NH2+][C@H](C)c1ccnn1C)c1ccc(N(C)C)cc1 ZINC000866612381 633212378 /nfs/dbraw/zinc/21/23/78/633212378.db2.gz HPJZEGFWQXFJTD-CZUORRHYSA-N 1 0 286.423 3.288 20 10 CGCDRO C[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)c1ccnn1C ZINC000866616127 633215644 /nfs/dbraw/zinc/21/56/44/633215644.db2.gz YRUOERBEPAIKNP-UWVGGRQHSA-N 1 0 279.771 3.191 20 10 CGCDRO CC[C@H](C[C@H](C)O)[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000866633588 633222682 /nfs/dbraw/zinc/22/26/82/633222682.db2.gz KIDDMECHOGCGHD-IACUBPJLSA-N 1 0 265.397 3.209 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1CCCn2nccc21)c1ccccc1O ZINC000866633093 633222748 /nfs/dbraw/zinc/22/27/48/633222748.db2.gz FOLRSBSSDKPWNC-ZIAGYGMSSA-N 1 0 271.364 3.165 20 10 CGCDRO Cc1cc(O)c(C[N@H+](C[C@@H]2CCOC2)C2CC2)cc1Cl ZINC000824555532 633259601 /nfs/dbraw/zinc/25/96/01/633259601.db2.gz HAWKAFRIERCAJQ-LBPRGKRZSA-N 1 0 295.810 3.355 20 10 CGCDRO C[C@@H](CCCO)C[NH2+]Cc1ccc2ccccc2c1O ZINC000824608804 633264262 /nfs/dbraw/zinc/26/42/62/633264262.db2.gz RCTVRKFDDFPYAF-ZDUSSCGKSA-N 1 0 273.376 3.044 20 10 CGCDRO CC[C@@H]1CCC[C@@H]1C[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000824655195 633269581 /nfs/dbraw/zinc/26/95/81/633269581.db2.gz UWKFAUWNMZCLGY-CHWSQXEVSA-N 1 0 293.407 3.325 20 10 CGCDRO COC[C@H]1CCC[N@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000824782730 633289084 /nfs/dbraw/zinc/28/90/84/633289084.db2.gz LYXLEVKIHMPHMF-LBPRGKRZSA-N 1 0 283.799 3.212 20 10 CGCDRO Cc1ccncc1C[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000824909964 633303958 /nfs/dbraw/zinc/30/39/58/633303958.db2.gz SYUCFDLSPZRVKZ-UHFFFAOYSA-N 1 0 276.767 3.347 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCSC[C@H]2C2CC2)cc1F ZINC000824914798 633304646 /nfs/dbraw/zinc/30/46/46/633304646.db2.gz ZMSAYIAZGSGAQH-INIZCTEOSA-N 1 0 294.439 3.219 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000825215258 633336346 /nfs/dbraw/zinc/33/63/46/633336346.db2.gz JFVGHCVBELQWSU-MRXNPFEDSA-N 1 0 293.432 3.120 20 10 CGCDRO CCOc1cccc(C[NH2+]CC2(COC)CCCC2)c1O ZINC000825245960 633338972 /nfs/dbraw/zinc/33/89/72/633338972.db2.gz VCOIJYCXZWGVFR-UHFFFAOYSA-N 1 0 293.407 3.087 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H](C)[C@H]2CCCOC2)cc1Cl ZINC000825469063 633356446 /nfs/dbraw/zinc/35/64/46/633356446.db2.gz UXULNSRVTDBRIG-RYUDHWBXSA-N 1 0 283.799 3.259 20 10 CGCDRO Cc1cc(O)c(C[N@H+](C)Cc2ccccn2)cc1Cl ZINC000825500608 633358109 /nfs/dbraw/zinc/35/81/09/633358109.db2.gz FKOMRKHFPYHDLX-UHFFFAOYSA-N 1 0 276.767 3.381 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCOC[C@H]2C)cc1Cl ZINC000825893195 633386687 /nfs/dbraw/zinc/38/66/87/633386687.db2.gz RTLPXJPVVXBOFH-VXGBXAGGSA-N 1 0 283.799 3.116 20 10 CGCDRO CO[C@@H]1CC[N@H+](Cc2cc(Cl)c(C)cc2O)C[C@H]1C ZINC000826063017 633401424 /nfs/dbraw/zinc/40/14/24/633401424.db2.gz ZTPJZCJQADSTEV-IAQYHMDHSA-N 1 0 283.799 3.211 20 10 CGCDRO C[C@@H](CC(F)(F)F)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000122481911 633422169 /nfs/dbraw/zinc/42/21/69/633422169.db2.gz INTOMKOFRZAAIO-VIFPVBQESA-N 1 0 278.293 3.322 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CCN2C(C)(C)C)c1O ZINC000826791648 633433447 /nfs/dbraw/zinc/43/34/47/633433447.db2.gz YWDOICMCRUABIG-AWEZNQCLSA-N 1 0 296.842 3.316 20 10 CGCDRO CCc1cccc(C[NH2+][C@H](CC)COCC2CC2)c1O ZINC000826866503 633438699 /nfs/dbraw/zinc/43/86/99/633438699.db2.gz BPNZXWLEMLHDGI-MRXNPFEDSA-N 1 0 277.408 3.249 20 10 CGCDRO CCc1ccc(C)[nH+]c1NCc1cc(OC)ccc1O ZINC000826910685 633443356 /nfs/dbraw/zinc/44/33/56/633443356.db2.gz LUHVCOUEWCPBGF-UHFFFAOYSA-N 1 0 272.348 3.279 20 10 CGCDRO CSCC1(CC[NH2+]Cc2cc(F)ccc2O)CC1 ZINC000826937303 633444771 /nfs/dbraw/zinc/44/47/71/633444771.db2.gz LGIWKCAMRYXZFD-UHFFFAOYSA-N 1 0 269.385 3.154 20 10 CGCDRO Oc1c(C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)ccc2ccccc21 ZINC000827481505 633493563 /nfs/dbraw/zinc/49/35/63/633493563.db2.gz OPJVTZCBKMMCBJ-ZSHCYNCHSA-N 1 0 253.345 3.434 20 10 CGCDRO c1coc(C[NH2+]CCCSc2nccs2)c1 ZINC000123146221 633585228 /nfs/dbraw/zinc/58/52/28/633585228.db2.gz SZRGRJNDQVDUHI-UHFFFAOYSA-N 1 0 254.380 3.008 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]CC[C@@]2(C)C[C@@]2(F)Cl)c1 ZINC000846031908 636132754 /nfs/dbraw/zinc/13/27/54/636132754.db2.gz DBYPPPCPJFKDJE-KBPBESRZSA-N 1 0 271.763 3.495 20 10 CGCDRO COc1cccc(C[NH2+]CC[C@@]2(C)C[C@]2(F)Cl)c1O ZINC000846031423 636133104 /nfs/dbraw/zinc/13/31/04/636133104.db2.gz BNJJWINJKUIOMI-UONOGXRCSA-N 1 0 287.762 3.195 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](c3cccnc3)C2)cc1 ZINC000829523238 633746612 /nfs/dbraw/zinc/74/66/12/633746612.db2.gz URHYDKUXUOPQST-KRWDZBQOSA-N 1 0 281.403 3.137 20 10 CGCDRO C[C@H]([NH2+][C@H](CO)CCF)c1ccc(N2CCCCC2)cc1 ZINC000846209736 636159236 /nfs/dbraw/zinc/15/92/36/636159236.db2.gz TYINELOBUUALQW-HOCLYGCPSA-N 1 0 294.414 3.048 20 10 CGCDRO COC[C@@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000832620704 634075556 /nfs/dbraw/zinc/07/55/56/634075556.db2.gz LIXHWCAIPXETPQ-INIZCTEOSA-N 1 0 276.424 3.062 20 10 CGCDRO C[C@@H](C[NH2+][C@@H]1CCc2cccc(O)c21)N1CCC[C@@H](C)C1 ZINC000834514665 634174624 /nfs/dbraw/zinc/17/46/24/634174624.db2.gz VRWMDYWVWXGPNG-IJEWVQPXSA-N 1 0 288.435 3.090 20 10 CGCDRO CCn1nc(C)c(C[NH2+][C@H]2CCc3cccc(O)c32)c1C ZINC000834559006 634182515 /nfs/dbraw/zinc/18/25/15/634182515.db2.gz VVEKUUGTFKCIFG-HNNXBMFYSA-N 1 0 285.391 3.003 20 10 CGCDRO COc1cc(C)cc(C[NH+]2CCC(C)(F)CC2)c1O ZINC000872690722 634188309 /nfs/dbraw/zinc/18/83/09/634188309.db2.gz VBQMAPAAVQBDIF-UHFFFAOYSA-N 1 0 267.344 3.033 20 10 CGCDRO CC(C)Cn1ccnc1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834602097 634196151 /nfs/dbraw/zinc/19/61/51/634196151.db2.gz JDYRDRHVJZNCQE-CQSZACIVSA-N 1 0 285.391 3.022 20 10 CGCDRO CCCOc1ccc(C[NH2+]CCC[C@@H](O)CC)cc1C ZINC000873060436 634238779 /nfs/dbraw/zinc/23/87/79/634238779.db2.gz IDEKSTMJVSCDRH-INIZCTEOSA-N 1 0 279.424 3.425 20 10 CGCDRO CC(C)[C@@H](C[NH2+][C@H]1CCc2cccc(O)c21)c1ccnn1C ZINC000834778185 634240975 /nfs/dbraw/zinc/24/09/75/634240975.db2.gz AFHNMDVMSFYZHW-CABCVRRESA-N 1 0 299.418 3.142 20 10 CGCDRO COc1cnccc1[C@@H](C)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834779635 634241036 /nfs/dbraw/zinc/24/10/36/634241036.db2.gz PLMYLPOFVVIWBG-BXUZGUMPSA-N 1 0 284.359 3.134 20 10 CGCDRO CCCOc1ccc(C[NH2+]Cc2cc(C)nn2C)cc1C ZINC000873121035 634250033 /nfs/dbraw/zinc/25/00/33/634250033.db2.gz CUTHKFXAMNXHBO-UHFFFAOYSA-N 1 0 287.407 3.116 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2CCn3ccnc32)cc1 ZINC000834835767 634252575 /nfs/dbraw/zinc/25/25/75/634252575.db2.gz JKBOXZIWSPFJKB-CJNGLKHVSA-N 1 0 284.407 3.135 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@H]2CO[C@H](C)C2)cc1C ZINC000873133979 634253756 /nfs/dbraw/zinc/25/37/56/634253756.db2.gz LZXGWWMNYQBZOD-UKRRQHHQSA-N 1 0 263.381 3.051 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000873157504 634265424 /nfs/dbraw/zinc/26/54/24/634265424.db2.gz ZXYHFMDTUUZVJG-XEGUGMAKSA-N 1 0 281.783 3.093 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCC[C@H]2OC)cc1 ZINC000834885539 634266677 /nfs/dbraw/zinc/26/66/77/634266677.db2.gz ALPAQFRHYDWECT-KBRIMQKVSA-N 1 0 276.424 3.361 20 10 CGCDRO CC(C)[C@@H]1C[C@H]1C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000834894945 634272245 /nfs/dbraw/zinc/27/22/45/634272245.db2.gz WTELKRHTMDPGHU-MDZLAQPJSA-N 1 0 251.345 3.474 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2COCC2(C)C)c2c1c(F)ccc2O ZINC000834904893 634281234 /nfs/dbraw/zinc/28/12/34/634281234.db2.gz PWAIPPFKHKTDCT-IRUJWGPZSA-N 1 0 279.355 3.094 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1CC[C@@H](C)O1)c1cc(Cl)ccc1O ZINC000834914500 634285969 /nfs/dbraw/zinc/28/59/69/634285969.db2.gz FXTDWGLBHXSFRU-JFGNBEQYSA-N 1 0 269.772 3.264 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H]2CC[C@H](C)O2)cc1 ZINC000834914977 634286468 /nfs/dbraw/zinc/28/64/68/634286468.db2.gz LQNRRBPENUKKQO-GRDNDAEWSA-N 1 0 276.424 3.361 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2Cc3ccccc3CN2)c(O)c1 ZINC000873292782 634322518 /nfs/dbraw/zinc/32/25/18/634322518.db2.gz DPMXKVYDFBOUSS-PBHICJAKSA-N 1 0 296.414 3.066 20 10 CGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CCCOC(C)(C)C2)cc1 ZINC000835025100 634324657 /nfs/dbraw/zinc/32/46/57/634324657.db2.gz DYXFHKICPBWDGS-FNORWQNLSA-N 1 0 288.435 3.267 20 10 CGCDRO CN(C)c1ccc(/C=C/C[N@H+](C)CCOCC2CC2)cc1 ZINC000835027418 634325540 /nfs/dbraw/zinc/32/55/40/634325540.db2.gz DJFLMMSULCBXFW-SNAWJCMRSA-N 1 0 288.435 3.124 20 10 CGCDRO CC(C)OCCC[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835034260 634327102 /nfs/dbraw/zinc/32/71/02/634327102.db2.gz RKDNSSTZGCZLIJ-FNORWQNLSA-N 1 0 276.424 3.171 20 10 CGCDRO CC(C)OCCC[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835034259 634327433 /nfs/dbraw/zinc/32/74/33/634327433.db2.gz RKDNSSTZGCZLIJ-ALCCZGGFSA-N 1 0 276.424 3.171 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@H]2CCOC(C)(C)C2)cc1 ZINC000835041219 634329910 /nfs/dbraw/zinc/32/99/10/634329910.db2.gz JVPNIQFZOZMMPG-KJPDOMRESA-N 1 0 288.435 3.313 20 10 CGCDRO CC[C@H](CSC)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835042227 634330753 /nfs/dbraw/zinc/33/07/53/634330753.db2.gz FLNSETAJMGDMLS-IDTUSYRASA-N 1 0 278.465 3.497 20 10 CGCDRO Cc1cc(C[C@@H](C)[NH2+]C/C=C\c2ccc(N(C)C)cc2)[nH]n1 ZINC000835043915 634331499 /nfs/dbraw/zinc/33/14/99/634331499.db2.gz VZVHQXVRRFTVQR-GEXIGZQTSA-N 1 0 298.434 3.018 20 10 CGCDRO C[C@H]([NH2+]C/C=C/c1ccc(N(C)C)cc1)[C@H]1CCCOC1 ZINC000835044030 634331740 /nfs/dbraw/zinc/33/17/40/634331740.db2.gz GKOOGCMPPMKAKL-DVJJNNKXSA-N 1 0 288.435 3.171 20 10 CGCDRO CC[C@@]1(CO)CCC[N@@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC000835046762 634333231 /nfs/dbraw/zinc/33/32/31/634333231.db2.gz ZMSCMWTYIRYDFC-YEODSOHDSA-N 1 0 288.435 3.003 20 10 CGCDRO C[C@@H]1CC[C@@H](C[NH2+]Cc2ccc3ccccc3c2O)O1 ZINC000835087990 634350613 /nfs/dbraw/zinc/35/06/13/634350613.db2.gz SGKGZWLURHQHPB-DOMZBBRYSA-N 1 0 271.360 3.203 20 10 CGCDRO CCC(C)(C)[N@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876718911 634885380 /nfs/dbraw/zinc/88/53/80/634885380.db2.gz YLWYTYYDWOMUIS-UHFFFAOYSA-N 1 0 290.451 3.268 20 10 CGCDRO CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc(F)c(F)c2[O-])CC1 ZINC000876949064 634934489 /nfs/dbraw/zinc/93/44/89/634934489.db2.gz RNTYXNAELMRMFO-UHFFFAOYSA-N 1 0 298.377 3.023 20 10 CGCDRO CCO[P@](C)(=O)CC[C@@H](C)[NH2+]Cc1ccccc1O ZINC000876995281 634946430 /nfs/dbraw/zinc/94/64/30/634946430.db2.gz DCEUTDDZDZVJGZ-BLVKFPJESA-N 1 0 285.324 3.205 20 10 CGCDRO COc1ccc(CC[NH2+]Cc2c(C)cccc2O)cc1F ZINC000877006072 634947636 /nfs/dbraw/zinc/94/76/36/634947636.db2.gz GNVXYUOTVOKPLW-UHFFFAOYSA-N 1 0 289.350 3.181 20 10 CGCDRO Cc1cccc(O)c1C[NH2+][C@@H](C)Cc1cccc(O)c1 ZINC000877016660 634950966 /nfs/dbraw/zinc/95/09/66/634950966.db2.gz BEOAUGKTTYRANF-ZDUSSCGKSA-N 1 0 271.360 3.127 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2cccc(N(C)C)c2)c(O)c1 ZINC000877017139 634951229 /nfs/dbraw/zinc/95/12/29/634951229.db2.gz LKCMRYJNOSNJPG-UHFFFAOYSA-N 1 0 270.376 3.056 20 10 CGCDRO Cc1cc(C[NH2+]Cc2ccc(N(C)C)cc2C)sn1 ZINC000877031845 634956340 /nfs/dbraw/zinc/95/63/40/634956340.db2.gz VXFUIILQBOAOAJ-UHFFFAOYSA-N 1 0 275.421 3.116 20 10 CGCDRO ClC1(Cl)C[C@@H]1C[NH2+]CCCSc1nccs1 ZINC000877061539 634967241 /nfs/dbraw/zinc/96/72/41/634967241.db2.gz KOMSLWGKLWLYRC-MRVPVSSYSA-N 1 0 297.276 3.409 20 10 CGCDRO CC[C@](C)(C[NH2+]CCCSc1nccs1)OC ZINC000877061956 634967456 /nfs/dbraw/zinc/96/74/56/634967456.db2.gz WGTXXFJUOOXRFL-GFCCVEGCSA-N 1 0 274.455 3.030 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCC[C@@H]2C2CCOCC2)c(O)c1 ZINC000877140106 635000169 /nfs/dbraw/zinc/00/01/69/635000169.db2.gz NAHWLGRAVDQPOX-MRXNPFEDSA-N 1 0 275.392 3.092 20 10 CGCDRO COCC[C@H]([NH2+]Cc1ccc(C)cc1O)c1ccc(C)o1 ZINC000877166922 635005324 /nfs/dbraw/zinc/00/53/24/635005324.db2.gz ILSRKDIRXXZREN-HNNXBMFYSA-N 1 0 289.375 3.469 20 10 CGCDRO Cc1ccc(C[NH2+]C[C@H](C)c2nccs2)c(O)c1 ZINC000877338510 635027700 /nfs/dbraw/zinc/02/77/00/635027700.db2.gz GJRUYLXFEGNTEC-NSHDSACASA-N 1 0 262.378 3.050 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)c1ccn(C)n1)c1ccc(N(C)C)cc1 ZINC000840818417 635058732 /nfs/dbraw/zinc/05/87/32/635058732.db2.gz XUSQHYJLENXJQY-BBRMVZONSA-N 1 0 286.423 3.288 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H](C)CCOC)cc1 ZINC000840836948 635061580 /nfs/dbraw/zinc/06/15/80/635061580.db2.gz LTROFJJMYFNTMR-CABCVRRESA-N 1 0 278.440 3.466 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCCOC(C)C)c(Cl)c1 ZINC000840877101 635071212 /nfs/dbraw/zinc/07/12/12/635071212.db2.gz SXESAZSNSIANSM-UHFFFAOYSA-N 1 0 271.788 3.259 20 10 CGCDRO Cc1noc(C)c1C(C)(C)[NH2+]Cc1ccc(C)cc1O ZINC000877524580 635071345 /nfs/dbraw/zinc/07/13/45/635071345.db2.gz YPIMGDSQMNAEAM-UHFFFAOYSA-N 1 0 274.364 3.330 20 10 CGCDRO CC[C@H]([NH2+][C@@H](CC)[C@H](O)C(C)C)c1ccccc1O ZINC000840882552 635073107 /nfs/dbraw/zinc/07/31/07/635073107.db2.gz PGAWLRFAHKCUCM-OFQRWUPVSA-N 1 0 265.397 3.228 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@H](CCO)CC(C)C)c(Cl)c1 ZINC000840902639 635079235 /nfs/dbraw/zinc/07/92/35/635079235.db2.gz VBMJCVTXEMKMBB-CYBMUJFWSA-N 1 0 299.842 3.488 20 10 CGCDRO Cc1cc(O)c(CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c(Cl)c1 ZINC000840917890 635082499 /nfs/dbraw/zinc/08/24/99/635082499.db2.gz UYYBOCHBBLOOFP-OLZOCXBDSA-N 1 0 296.842 3.269 20 10 CGCDRO CCC1(O)CC[NH+](Cc2c(O)cc(C)cc2Cl)CC1 ZINC000840917534 635082768 /nfs/dbraw/zinc/08/27/68/635082768.db2.gz RUACQAFYEIGAAW-UHFFFAOYSA-N 1 0 283.799 3.091 20 10 CGCDRO CCC1(CO)CC[NH+](Cc2c(O)cc(C)cc2Cl)CC1 ZINC000840917811 635083010 /nfs/dbraw/zinc/08/30/10/635083010.db2.gz NFVAEVRQYNAHEA-UHFFFAOYSA-N 1 0 297.826 3.339 20 10 CGCDRO CO[C@@H]1CCC[N@H+](Cc2c(O)cc(C)cc2Cl)CC1 ZINC000840936042 635085734 /nfs/dbraw/zinc/08/57/34/635085734.db2.gz DMWSKPOEOXZGBE-GFCCVEGCSA-N 1 0 283.799 3.355 20 10 CGCDRO CC[C@@]1(CO)CCC[N@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000840940185 635086771 /nfs/dbraw/zinc/08/67/71/635086771.db2.gz VUAWHMQYKSJHDM-MRXNPFEDSA-N 1 0 297.826 3.339 20 10 CGCDRO COc1cccc(C[N@@H+]2CCSC3(CCC3)CC2)c1O ZINC000840954187 635092013 /nfs/dbraw/zinc/09/20/13/635092013.db2.gz DSNFBDFILPHFEN-UHFFFAOYSA-N 1 0 293.432 3.262 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CC(C)(C)OCC2CC2)cc1 ZINC000840961014 635094327 /nfs/dbraw/zinc/09/43/27/635094327.db2.gz ZEAWQKWNCICVMH-UHFFFAOYSA-N 1 0 276.424 3.047 20 10 CGCDRO Cc1cnccc1C[NH2+][C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000840975300 635099105 /nfs/dbraw/zinc/09/91/05/635099105.db2.gz FOJZQNWPORWCRJ-INIZCTEOSA-N 1 0 297.446 3.485 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](C3CCC3)C2)c1 ZINC000840977721 635099253 /nfs/dbraw/zinc/09/92/53/635099253.db2.gz KAUIAYXWYQYJKO-ZDUSSCGKSA-N 1 0 261.365 3.023 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]CC[C@H]1CCOC1 ZINC000840977915 635099458 /nfs/dbraw/zinc/09/94/58/635099458.db2.gz YFHFVLJMLYLXQC-HOTGVXAUSA-N 1 0 290.451 3.008 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]CCC[C@H]1CCO1 ZINC000877592537 635105348 /nfs/dbraw/zinc/10/53/48/635105348.db2.gz QCEFXXDPDUOUMG-QAPCUYQASA-N 1 0 290.451 3.151 20 10 CGCDRO CC(C)Oc1cccc(C[NH2+]CCc2ccc(N)cc2)c1 ZINC000841036505 635111265 /nfs/dbraw/zinc/11/12/65/635111265.db2.gz UAEFCADUSHTTRU-UHFFFAOYSA-N 1 0 284.403 3.388 20 10 CGCDRO CCC1CCC([NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)CC1 ZINC000841041759 635112321 /nfs/dbraw/zinc/11/23/21/635112321.db2.gz BIDUXEOFDWWYIS-JFUPDXTOSA-N 1 0 289.467 3.311 20 10 CGCDRO Cc1ccc(C[N@@H+]2Cc3cnn(C)c3CC(C)(C)C2)c(O)c1 ZINC000877643656 635128865 /nfs/dbraw/zinc/12/88/65/635128865.db2.gz MFSGLHTYZVECNB-UHFFFAOYSA-N 1 0 299.418 3.019 20 10 CGCDRO COc1ccc(F)c(C[NH2+]Cc2ccc(C)cc2O)c1 ZINC000877647665 635130229 /nfs/dbraw/zinc/13/02/29/635130229.db2.gz SWCNCRDGGSXGDO-UHFFFAOYSA-N 1 0 275.323 3.138 20 10 CGCDRO Cc1ccc(C[NH+]2CC(c3ccccc3)C2)c(O)c1 ZINC000877665665 635138179 /nfs/dbraw/zinc/13/81/79/635138179.db2.gz DHRSYCMYTBXLRN-UHFFFAOYSA-N 1 0 253.345 3.300 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+][C@@H]2C[C@H]2C(F)(F)F)c1O ZINC000877703712 635155269 /nfs/dbraw/zinc/15/52/69/635155269.db2.gz QSJYWCZYQNLPCI-NXEZZACHSA-N 1 0 279.689 3.394 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@@H]2C[C@H]2C2CCOCC2)c1O ZINC000877729987 635165819 /nfs/dbraw/zinc/16/58/19/635165819.db2.gz IPAUOXWYUFXNND-IRXDYDNUSA-N 1 0 289.419 3.107 20 10 CGCDRO CC(C)(O)C1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000877753523 635183055 /nfs/dbraw/zinc/18/30/55/635183055.db2.gz GKTNOPXKBPPQCT-UHFFFAOYSA-N 1 0 283.799 3.029 20 10 CGCDRO CCOc1cccc(C[NH2+][C@H](C)c2ccccc2O)c1O ZINC000877756493 635185215 /nfs/dbraw/zinc/18/52/15/635185215.db2.gz MGDNOFZAXYHMLZ-GFCCVEGCSA-N 1 0 287.359 3.347 20 10 CGCDRO COc1cccc(C[C@H](C)[NH2+][C@@H](C)c2ccccc2O)n1 ZINC000877757377 635185987 /nfs/dbraw/zinc/18/59/87/635185987.db2.gz UWJLXRZQMZACKY-STQMWFEESA-N 1 0 286.375 3.078 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+][C@@H]2CCCn3nccc32)c1O ZINC000877778190 635200417 /nfs/dbraw/zinc/20/04/17/635200417.db2.gz LGRAJGZPJZSXML-CYBMUJFWSA-N 1 0 291.782 3.175 20 10 CGCDRO COc1cc(O)c(C[NH2+]CCC[C@H]2C=CCC2)cc1OC ZINC000877805493 635209261 /nfs/dbraw/zinc/20/92/61/635209261.db2.gz JZPQSQIBSWBLBW-ZDUSSCGKSA-N 1 0 291.391 3.245 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000877812586 635218542 /nfs/dbraw/zinc/21/85/42/635218542.db2.gz QYEPWXIGJHGPHV-CYBMUJFWSA-N 1 0 273.298 3.475 20 10 CGCDRO CCN(CC)CC[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841745316 635222587 /nfs/dbraw/zinc/22/25/87/635222587.db2.gz XMLWFBBVTFCPQR-LLVKDONJSA-N 1 0 270.804 3.038 20 10 CGCDRO CC[C@H]([NH2+]Cc1cccc(OC)c1O)[C@@H]1CC1(C)C ZINC000841890823 635247415 /nfs/dbraw/zinc/24/74/15/635247415.db2.gz KNXGIEBEJMMGHL-STQMWFEESA-N 1 0 263.381 3.315 20 10 CGCDRO Oc1ccccc1C[N@@H+](Cc1ccco1)CC1CC1 ZINC000126955883 635393254 /nfs/dbraw/zinc/39/32/54/635393254.db2.gz ZLCFCJJDCUWUFI-UHFFFAOYSA-N 1 0 257.333 3.397 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+]Cc2ccc(CO)cc2)cc1 ZINC000842732395 635453997 /nfs/dbraw/zinc/45/39/97/635453997.db2.gz KWKKBPPKMQIDKL-ARJAWSKDSA-N 1 0 296.414 3.048 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)C2)c1 ZINC000842760675 635462869 /nfs/dbraw/zinc/46/28/69/635462869.db2.gz KIDMWNXDIZWUQT-OTVXOJSOSA-N 1 0 293.407 3.227 20 10 CGCDRO COc1cccc(O)c1C[NH2+]CC1CCC(F)CC1 ZINC000842775998 635468704 /nfs/dbraw/zinc/46/87/04/635468704.db2.gz VZLMBBRJEKZGGJ-UHFFFAOYSA-N 1 0 267.344 3.019 20 10 CGCDRO CC[C@H](C)C[C@@H](CO)[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000842917423 635512180 /nfs/dbraw/zinc/51/21/80/635512180.db2.gz ORGQGZRRQDWBAT-LOWVWBTDSA-N 1 0 285.815 3.493 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]CC1CCC(F)CC1)CC2 ZINC000842930580 635514693 /nfs/dbraw/zinc/51/46/93/635514693.db2.gz YTQWJTHPGQBWTO-UBHUBRDASA-N 1 0 263.356 3.497 20 10 CGCDRO c1cc(N2CCCC2)ccc1CN[C@H]1CC[NH2+]C12CCCC2 ZINC000843129707 635563264 /nfs/dbraw/zinc/56/32/64/635563264.db2.gz YATKPUZAGCKSOE-SFHVURJKSA-N 1 0 299.462 3.051 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@H]2c2cn[nH]c2)cc1 ZINC000878876872 635648764 /nfs/dbraw/zinc/64/87/64/635648764.db2.gz WLIGYBFHPNWXHY-KRWDZBQOSA-N 1 0 284.407 3.203 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000843416970 635663239 /nfs/dbraw/zinc/66/32/39/635663239.db2.gz NBCGWCZJCVLGHF-SWLSCSKDSA-N 1 0 295.810 3.437 20 10 CGCDRO Cc1cccc(C[N@H+]2CC3(C[C@H]2C)CCOCC3)c1O ZINC000843431880 635674834 /nfs/dbraw/zinc/67/48/34/635674834.db2.gz MDJQXVMJOWTZTB-CQSZACIVSA-N 1 0 275.392 3.092 20 10 CGCDRO Cc1ccc(NC(=O)C[NH2+][C@H](C)c2ccccc2O)c(C)c1 ZINC000879649804 635826648 /nfs/dbraw/zinc/82/66/48/635826648.db2.gz UUZRMGMHDUKIEC-CQSZACIVSA-N 1 0 298.386 3.298 20 10 CGCDRO C[C@H]1CC([NH2+]Cc2c(O)cccc2Cl)C[C@H](C)O1 ZINC000128636511 636051109 /nfs/dbraw/zinc/05/11/09/636051109.db2.gz XJDZCLOHUFQPQC-UWVGGRQHSA-N 1 0 269.772 3.091 20 10 CGCDRO C[C@@]1(CC[NH2+]Cc2ccccc2O)C[C@@]1(F)Cl ZINC000846040213 636136113 /nfs/dbraw/zinc/13/61/13/636136113.db2.gz WZOKMUCJAJQXAO-OLZOCXBDSA-N 1 0 257.736 3.187 20 10 CGCDRO COC[C@@H](CC(C)C)[NH2+]Cc1cc(Cl)ccc1O ZINC000846054757 636138919 /nfs/dbraw/zinc/13/89/19/636138919.db2.gz FRKRQYYKBUBTPY-CYBMUJFWSA-N 1 0 271.788 3.196 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]Cc2csc(C)n2)c1O ZINC000846145681 636149690 /nfs/dbraw/zinc/14/96/90/636149690.db2.gz PRNZTBQXBYVHLD-SECBINFHSA-N 1 0 278.377 3.017 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2OC)c1O ZINC000846168234 636152351 /nfs/dbraw/zinc/15/23/51/636152351.db2.gz RJDKRRHNEGLGPQ-UBHSHLNASA-N 1 0 279.380 3.009 20 10 CGCDRO C[C@H]([NH2+][C@@H](C)[C@@](C)(O)c1ccccc1)c1ccccc1O ZINC000846189648 636156339 /nfs/dbraw/zinc/15/63/39/636156339.db2.gz RBKXOYDXRODQSG-SUNYJGFJSA-N 1 0 285.387 3.339 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)[C@](C)(O)c1ccccc1 ZINC000846188381 636156483 /nfs/dbraw/zinc/15/64/83/636156483.db2.gz OCQCYXCPAAYPCQ-CRFBAAHOSA-N 1 0 297.398 3.265 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2OC)c1O ZINC000846203213 636158042 /nfs/dbraw/zinc/15/80/42/636158042.db2.gz RJDKRRHNEGLGPQ-IACUBPJLSA-N 1 0 279.380 3.009 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](C)N(C)C1CC1)c1ccc(N(C)C)cc1 ZINC000130973199 636539071 /nfs/dbraw/zinc/53/90/71/636539071.db2.gz VZPROSZOLFXLRD-KDOFPFPSSA-N 1 0 289.467 3.276 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@H](C)Cc2ccccn2)c1O ZINC000848564773 636608243 /nfs/dbraw/zinc/60/82/43/636608243.db2.gz IAMDMEXLHIGOBZ-OLZOCXBDSA-N 1 0 286.375 3.078 20 10 CGCDRO COc1cccc(O)c1C[NH2+]Cc1cccc(C)c1OC ZINC000848564599 636608256 /nfs/dbraw/zinc/60/82/56/636608256.db2.gz PFILDOYTNRCWJU-UHFFFAOYSA-N 1 0 287.359 3.008 20 10 CGCDRO CCOc1ccc(C[NH2+][C@@H](COC)CC(C)(C)C)c(O)c1 ZINC000848567147 636610609 /nfs/dbraw/zinc/61/06/09/636610609.db2.gz PJECUCIOIWERON-CQSZACIVSA-N 1 0 295.423 3.332 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@@H]1CCC3(CCCC3)O1)CC2 ZINC000848570109 636611156 /nfs/dbraw/zinc/61/11/56/636611156.db2.gz HIVUFRQFLUAGHK-GJZGRUSLSA-N 1 0 287.403 3.461 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+][C@H]1CCCN2CCCC[C@@H]12 ZINC000848574612 636613651 /nfs/dbraw/zinc/61/36/51/636613651.db2.gz GLZRFDAWSICZPY-GJZGRUSLSA-N 1 0 294.826 3.152 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]CCc2ccns2)c2c1c(F)ccc2O ZINC000883247202 636616429 /nfs/dbraw/zinc/61/64/29/636616429.db2.gz CCNOLWWKQDOJSD-BXKDBHETSA-N 1 0 292.379 3.368 20 10 CGCDRO COc1cccc(O)c1C[NH2+]CC(C)(C)CC(F)F ZINC000883252166 636622745 /nfs/dbraw/zinc/62/27/45/636622745.db2.gz VEMOQLRTCSKFBY-UHFFFAOYSA-N 1 0 273.323 3.172 20 10 CGCDRO C[C@@H]1C[C@H]([NH3+])CCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000131442129 636656026 /nfs/dbraw/zinc/65/60/26/636656026.db2.gz NHMMWPFAFQJMKW-LDYMZIIASA-N 1 0 289.206 3.011 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)c1O ZINC000848882199 636671568 /nfs/dbraw/zinc/67/15/68/636671568.db2.gz MVUDWVXDSBOPLN-HNNXBMFYSA-N 1 0 285.391 3.057 20 10 CGCDRO CCc1cccc(C[N@H+](CCOC)C2CCCC2)c1O ZINC000848882467 636672004 /nfs/dbraw/zinc/67/20/04/636672004.db2.gz QHRKNILRUFHCSB-UHFFFAOYSA-N 1 0 277.408 3.346 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCCC3(CCOCC3)C2)c1O ZINC000848887208 636674725 /nfs/dbraw/zinc/67/47/25/636674725.db2.gz QJMWAJKOXZFYDK-UHFFFAOYSA-N 1 0 289.419 3.347 20 10 CGCDRO CN(C)c1ccc(C[NH2+]Cc2cc(O)ccc2Cl)cc1 ZINC000883324698 636675579 /nfs/dbraw/zinc/67/55/79/636675579.db2.gz ANLSERFACPELEV-UHFFFAOYSA-N 1 0 290.794 3.401 20 10 CGCDRO CCc1cccc(C[N@H+](C)CCC2CCOCC2)c1O ZINC000848887888 636675973 /nfs/dbraw/zinc/67/59/73/636675973.db2.gz HFPAAALRBRTIAK-UHFFFAOYSA-N 1 0 277.408 3.203 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)c1O ZINC000848897407 636679809 /nfs/dbraw/zinc/67/98/09/636679809.db2.gz IFJVTMOBJXYMMW-XHSDSOJGSA-N 1 0 275.392 3.002 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H]2CCO[C@H](C(C)C)C2)c1O ZINC000848898989 636680821 /nfs/dbraw/zinc/68/08/21/636680821.db2.gz BRXCVIYZDCRLIV-CVEARBPZSA-N 1 0 277.408 3.248 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c1O ZINC000848900754 636681827 /nfs/dbraw/zinc/68/18/27/636681827.db2.gz PYGGWFDXROAEKO-USXIJHARSA-N 1 0 287.403 3.002 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H]2CCO[C@@H](C3CC3)C2)c1O ZINC000848903303 636682392 /nfs/dbraw/zinc/68/23/92/636682392.db2.gz PJZZPXXFZWLLEM-HZPDHXFCSA-N 1 0 275.392 3.002 20 10 CGCDRO CCc1cccc(C[NH2+]CC[C@@H](OC)C(F)(F)F)c1O ZINC000848904882 636684429 /nfs/dbraw/zinc/68/44/29/636684429.db2.gz CIXMRWKRVRMTTR-GFCCVEGCSA-N 1 0 291.313 3.012 20 10 CGCDRO CCc1cccc(C[NH2+][C@H]2CCc3cc(O)ccc3C2)c1O ZINC000848908034 636685359 /nfs/dbraw/zinc/68/53/59/636685359.db2.gz WTDNBOCGRCYVQG-KRWDZBQOSA-N 1 0 297.398 3.307 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCC(F)(F)[C@@H](C)C2)c1O ZINC000848913169 636687724 /nfs/dbraw/zinc/68/77/24/636687724.db2.gz QBAGFZCWNXKCMT-NSHDSACASA-N 1 0 269.335 3.432 20 10 CGCDRO CCc1cccc(C[NH2+]CCC[N@H+](C)CC(C)C)c1O ZINC000848919442 636691387 /nfs/dbraw/zinc/69/13/87/636691387.db2.gz LDHBAJHUAAEPOE-UHFFFAOYSA-N 1 0 278.440 3.022 20 10 CGCDRO [NH2+]=C(NCc1ccccc1O)Nc1ccc2c(c1)CCC2 ZINC000849058162 636734453 /nfs/dbraw/zinc/73/44/53/636734453.db2.gz RBBHXGFUHPXQSH-UHFFFAOYSA-N 1 0 281.359 3.017 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C2CCC3(COC3)CC2)cc1C ZINC000883390093 636734456 /nfs/dbraw/zinc/73/44/56/636734456.db2.gz FLUPPDGMUPDIGJ-UHFFFAOYSA-N 1 0 275.392 3.058 20 10 CGCDRO COC[C@@H](C)C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000131905353 636763843 /nfs/dbraw/zinc/76/38/43/636763843.db2.gz MBBCMVHRCGUXGT-INIZCTEOSA-N 1 0 290.451 3.391 20 10 CGCDRO CC(C)C[N@H+](CCN(C)C)Cc1cc(Cl)ccc1O ZINC000132542798 636818205 /nfs/dbraw/zinc/81/82/05/636818205.db2.gz GRXZSQRUMYFWDW-UHFFFAOYSA-N 1 0 284.831 3.065 20 10 CGCDRO Cc1cc(Br)cc(C[NH2+][C@H](C)C2CC2)c1O ZINC000132566312 636820014 /nfs/dbraw/zinc/82/00/14/636820014.db2.gz LXQIJZHBCRKAPH-SECBINFHSA-N 1 0 284.197 3.351 20 10 CGCDRO C[N@@H+]1CCC[C@H]1CCSc1ncc(Cl)s1 ZINC000850000309 636925276 /nfs/dbraw/zinc/92/52/76/636925276.db2.gz PYTDNKIMJDHDHB-QMMMGPOBSA-N 1 0 262.831 3.373 20 10 CGCDRO CCOc1cccc(C[NH2+]C[C@@H](C)c2ccccn2)c1O ZINC000850342590 637020672 /nfs/dbraw/zinc/02/06/72/637020672.db2.gz TZENXNIRDIOYIJ-CYBMUJFWSA-N 1 0 286.375 3.079 20 10 CGCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3ccccc3C)C2)cc1 ZINC000850346839 637022954 /nfs/dbraw/zinc/02/29/54/637022954.db2.gz YGRXMNDJAXBFJP-QGZVFWFLSA-N 1 0 296.414 3.372 20 10 CGCDRO CCO[C@H]1C[C@H]([NH2+]Cc2c(O)cc(C)cc2Cl)C1 ZINC000850362592 637029235 /nfs/dbraw/zinc/02/92/35/637029235.db2.gz QATJPJTVSCPJSD-XYPYZODXSA-N 1 0 269.772 3.011 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H]2COC3(CCC3)C2)cc1 ZINC000850368837 637032351 /nfs/dbraw/zinc/03/23/51/637032351.db2.gz CCLNQHBJBNHFMA-WMHVBEDNSA-N 1 0 286.419 3.067 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+][C@@H]1C[C@H](O)c2ccccc21 ZINC000850372106 637035054 /nfs/dbraw/zinc/03/50/54/637035054.db2.gz PXNFHIHSEURHLK-ZBFHGGJFSA-N 1 0 289.762 3.314 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCc2ccoc2)c(Cl)c1 ZINC000850376306 637038272 /nfs/dbraw/zinc/03/82/72/637038272.db2.gz GHQLIXBCTPWPPA-UHFFFAOYSA-N 1 0 265.740 3.279 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H]2CCc3ccc(O)cc32)c1 ZINC000850387572 637042698 /nfs/dbraw/zinc/04/26/98/637042698.db2.gz UYYDNDNKKSVJNE-INIZCTEOSA-N 1 0 269.344 3.183 20 10 CGCDRO CCOc1ccc(C[NH2+][C@@H](C(C)C)C2CC2)c(O)c1 ZINC000850399274 637047731 /nfs/dbraw/zinc/04/77/31/637047731.db2.gz WLZYRQBCGTVAKI-INIZCTEOSA-N 1 0 263.381 3.315 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+][C@@H]2COC(C)(C)C2)c(O)c1 ZINC000850482331 637085506 /nfs/dbraw/zinc/08/55/06/637085506.db2.gz OIICTXKQNDIMGF-OLZOCXBDSA-N 1 0 263.381 3.227 20 10 CGCDRO C[C@H]([NH2+][C@@H]1COC(C)(C)C1)c1cc2c(cc1O)CCCC2 ZINC000850481410 637085868 /nfs/dbraw/zinc/08/58/68/637085868.db2.gz GUUXTCMFOLZHQX-WFASDCNBSA-N 1 0 289.419 3.489 20 10 CGCDRO CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850486559 637087021 /nfs/dbraw/zinc/08/70/21/637087021.db2.gz JKZJHMFWICKZCQ-CPUCHLNUSA-N 1 0 274.408 3.052 20 10 CGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)c3ccco3)C2)cc1 ZINC000850486617 637088129 /nfs/dbraw/zinc/08/81/29/637088129.db2.gz CGIJKSYKMZVSHR-UONOGXRCSA-N 1 0 286.375 3.218 20 10 CGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)c3ccoc3)C2)cc1 ZINC000850490114 637088791 /nfs/dbraw/zinc/08/87/91/637088791.db2.gz ZWDUBPMGBMHZKB-DZGCQCFKSA-N 1 0 286.375 3.218 20 10 CGCDRO CC[C@@H](COCC1CC1)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000850494426 637089621 /nfs/dbraw/zinc/08/96/21/637089621.db2.gz PFHFXJZINRICFV-JSGCOSHPSA-N 1 0 293.407 3.257 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]([S@](C)=O)C2)c(O)c1 ZINC000850500150 637091944 /nfs/dbraw/zinc/09/19/44/637091944.db2.gz BACHUOUYKJVVPC-PSUSHLJKSA-N 1 0 295.448 3.041 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCC[C@H]([S@](C)=O)C1)c1ccccc1O ZINC000850502872 637093354 /nfs/dbraw/zinc/09/33/54/637093354.db2.gz SDTKFRIJPMAFOI-VVILHGPQSA-N 1 0 295.448 3.123 20 10 CGCDRO CC[C@@H]([NH2+]C/C=C\CO)c1ccc(C(F)(F)F)cc1O ZINC000850506920 637093836 /nfs/dbraw/zinc/09/38/36/637093836.db2.gz CNFYTWQFVZDYMN-VSQXVHSFSA-N 1 0 289.297 3.000 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)C1(CO)CC1 ZINC000850517114 637100124 /nfs/dbraw/zinc/10/01/24/637100124.db2.gz QSCNGUHZLDSCLB-QWHCGFSZSA-N 1 0 289.419 3.083 20 10 CGCDRO CC(C)C[C@@H](CO)[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000850522800 637101104 /nfs/dbraw/zinc/10/11/04/637101104.db2.gz MGKGREKWLHSCHM-NTZNESFSSA-N 1 0 281.371 3.076 20 10 CGCDRO C[C@H]([NH2+][C@H]1COC2(CCC2)C1)c1cc(Cl)ccc1O ZINC000850526824 637105686 /nfs/dbraw/zinc/10/56/86/637105686.db2.gz XEDFNEQUBXHOOG-CMPLNLGQSA-N 1 0 281.783 3.408 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2CCC[C@@H]3C[C@@H]32)c1O ZINC000850532412 637109499 /nfs/dbraw/zinc/10/94/99/637109499.db2.gz UOQISIQGBFNBBA-XFMPKHEZSA-N 1 0 275.392 3.488 20 10 CGCDRO C[C@]1(CC[NH2+][C@@H]2CCc3cccc(O)c32)CC1(F)F ZINC000850535979 637112535 /nfs/dbraw/zinc/11/25/35/637112535.db2.gz GARCGAUFZMNNAA-RISCZKNCSA-N 1 0 267.319 3.405 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](CO)CC2CC2)c1O ZINC000850544142 637116008 /nfs/dbraw/zinc/11/60/08/637116008.db2.gz CPPGAHPTJGIDNO-YPMHNXCESA-N 1 0 297.826 3.413 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+][C@@H](C(C)C)C2CC2)c1O ZINC000850556878 637121372 /nfs/dbraw/zinc/12/13/72/637121372.db2.gz MJOYLQRZEPLIGL-ABAIWWIYSA-N 1 0 263.381 3.486 20 10 CGCDRO C[C@H](c1ccccc1)[C@H](O)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000850573931 637129561 /nfs/dbraw/zinc/12/95/61/637129561.db2.gz TVFAAZGIMBCHAY-MZMPZRCHSA-N 1 0 297.398 3.134 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)c1nccn1C)c1ccc(N(C)C)cc1 ZINC000850572709 637129966 /nfs/dbraw/zinc/12/99/66/637129966.db2.gz OELUGQNILFOVRO-BBRMVZONSA-N 1 0 286.423 3.288 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](c2ccccc2)[C@@H](C)O)c1 ZINC000850581966 637131672 /nfs/dbraw/zinc/13/16/72/637131672.db2.gz AJDJCUCYIFNNER-IYOUNJFTSA-N 1 0 285.387 3.473 20 10 CGCDRO C[N@@H+](Cc1ccccc1O)C[C@H]1CCC2(CCC2)CO1 ZINC000886065112 637397385 /nfs/dbraw/zinc/39/73/85/637397385.db2.gz PVEZRLHXPXYMOD-OAHLLOKOSA-N 1 0 275.392 3.173 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]CC[C@@H]2CC(C)(C)CO2)c1 ZINC000886307008 637493018 /nfs/dbraw/zinc/49/30/18/637493018.db2.gz HPKWRSDHXAIJCE-OAHLLOKOSA-N 1 0 293.407 3.086 20 10 CGCDRO CN1CCCc2cc(C[NH2+][C@H]3CCc4cccnc43)ccc21 ZINC000886519316 637551073 /nfs/dbraw/zinc/55/10/73/637551073.db2.gz SILKUAJTYVWHJT-KRWDZBQOSA-N 1 0 293.414 3.241 20 10 CGCDRO C[C@H](NC1(c2ncccn2)CCC1)c1c(O)cccc1F ZINC000886651482 637632079 /nfs/dbraw/zinc/63/20/79/637632079.db2.gz GYQZFWQVORAKGJ-NSHDSACASA-N 1 0 287.338 3.051 20 10 CGCDRO Cc1cc(C[NH+]2CCC(c3ccon3)CC2)ccc1N(C)C ZINC000852672743 637693319 /nfs/dbraw/zinc/69/33/19/637693319.db2.gz IBBWLAJNODOLSU-UHFFFAOYSA-N 1 0 299.418 3.429 20 10 CGCDRO CN(C(=O)C=C1CC[NH2+]CC1)c1ccc(C(C)(C)C)cc1 ZINC000852819643 637717131 /nfs/dbraw/zinc/71/71/31/637717131.db2.gz IPSMWGCPIZABES-UHFFFAOYSA-N 1 0 286.419 3.257 20 10 CGCDRO CCn1nccc1C[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000853240266 637791432 /nfs/dbraw/zinc/79/14/32/637791432.db2.gz OHFSNGQSFHPQJE-GXFFZTMASA-N 1 0 289.354 3.086 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2cccc(N)c2)c(O)c1 ZINC000854217979 638024862 /nfs/dbraw/zinc/02/48/62/638024862.db2.gz QQOFLIPWWHYWOX-CYBMUJFWSA-N 1 0 270.376 3.442 20 10 CGCDRO CCOc1cccc(C[NH2+]CCc2ccccc2C)c1O ZINC000112016855 638026115 /nfs/dbraw/zinc/02/61/15/638026115.db2.gz PXPWAJYHVAMNMV-UHFFFAOYSA-N 1 0 285.387 3.432 20 10 CGCDRO CCCCOCCC[NH2+]Cc1c(O)cccc1Cl ZINC000113311024 638184654 /nfs/dbraw/zinc/18/46/54/638184654.db2.gz BTFMEUWWFQHSBW-UHFFFAOYSA-N 1 0 271.788 3.342 20 10 CGCDRO COc1ccc(C[NH2+]C2CC3(C2)CO[C@@H](C)C3)cc1C ZINC000924903394 638423334 /nfs/dbraw/zinc/42/33/34/638423334.db2.gz UCFAALSGFXHDIC-KTAKPFMOSA-N 1 0 275.392 3.051 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]CC[C@H]2CC2(F)F)c1O ZINC000857080942 638453625 /nfs/dbraw/zinc/45/36/25/638453625.db2.gz LVXZYSYDWXQUQY-ZJUUUORDSA-N 1 0 271.307 3.097 20 10 CGCDRO COc1ccc(C[NH2+]Cc2ccc(N(C)C)cc2C)cc1 ZINC000115629496 638569453 /nfs/dbraw/zinc/56/94/53/638569453.db2.gz ALPRFTBSKIYSSF-UHFFFAOYSA-N 1 0 284.403 3.359 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cccc(O)c1 ZINC000115629499 638570021 /nfs/dbraw/zinc/57/00/21/638570021.db2.gz IIJNMKQSVITWPF-UHFFFAOYSA-N 1 0 270.376 3.056 20 10 CGCDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCOc2ccc(N)cc2C1 ZINC000925753438 638596591 /nfs/dbraw/zinc/59/65/91/638596591.db2.gz HKATVWFJLMAQHQ-INIZCTEOSA-N 1 0 298.386 3.320 20 10 CGCDRO CO[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858162382 638648157 /nfs/dbraw/zinc/64/81/57/638648157.db2.gz ZCYGLVDUOALWNG-HOCLYGCPSA-N 1 0 298.377 3.078 20 10 CGCDRO COC1(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)CCCC1 ZINC000858170561 638648385 /nfs/dbraw/zinc/64/83/85/638648385.db2.gz NYZXYSFLJRVRKN-UHFFFAOYSA-N 1 0 298.377 3.080 20 10 CGCDRO CO[C@H]1C[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000858322497 638682216 /nfs/dbraw/zinc/68/22/16/638682216.db2.gz XQLAFSLRUUGHAH-QAQDUYKDSA-N 1 0 283.371 3.326 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCCN2CC(F)F)c1 ZINC000858479455 638734906 /nfs/dbraw/zinc/73/49/06/638734906.db2.gz SGVOIYFAEDUAOY-OLZOCXBDSA-N 1 0 298.377 3.081 20 10 CGCDRO C/C=C/C[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000858538931 638757513 /nfs/dbraw/zinc/75/75/13/638757513.db2.gz ZEPXDTBUQUYVQN-NWALNABHSA-N 1 0 270.170 3.381 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CO[C@H](C3CC3)C2)cc1 ZINC000858545327 638758443 /nfs/dbraw/zinc/75/84/43/638758443.db2.gz CKNROCJOPVHRDX-XCRHUMRWSA-N 1 0 288.435 3.361 20 10 CGCDRO C[C@@H]1Cc2cc(C[NH2+][C@H]3CCc4cccc(O)c43)ccc2O1 ZINC000926921899 638826206 /nfs/dbraw/zinc/82/62/06/638826206.db2.gz WNGUQSAXZNMNAQ-WBMJQRKESA-N 1 0 295.382 3.493 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+][C@H]1CCCc3cccnc31)CC2 ZINC000927063947 638836755 /nfs/dbraw/zinc/83/67/55/638836755.db2.gz MHBQRCFPOBXEGE-GJZGRUSLSA-N 1 0 280.371 3.442 20 10 CGCDRO C[C@H]([NH2+][C@H]1c2ccccc2CC[C@H]1O)c1ccccc1O ZINC000927141630 638847228 /nfs/dbraw/zinc/84/72/28/638847228.db2.gz YGZZFJRVXNCBFE-RZAIGCCYSA-N 1 0 283.371 3.091 20 10 CGCDRO CO[C@H]1C[C@@H](C[NH2+][C@H](C)c2cc(Cl)ccc2O)C1 ZINC000858592687 638998927 /nfs/dbraw/zinc/99/89/27/638998927.db2.gz INTQZDARWXWLKN-FOGDFJRCSA-N 1 0 269.772 3.121 20 10 CGCDRO CO[C@H]1C[C@@H](C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)C1 ZINC000858592699 638999061 /nfs/dbraw/zinc/99/90/61/638999061.db2.gz JBMZPBBLZJWPEE-GMXVVIOVSA-N 1 0 283.799 3.430 20 10 CGCDRO Cc1cc(C[NH2+][C@H](C)c2ccns2)ccc1N(C)C ZINC000860060733 639276760 /nfs/dbraw/zinc/27/67/60/639276760.db2.gz ADKGYZSPVLKFDL-GFCCVEGCSA-N 1 0 275.421 3.368 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CC(C)(C)OC2(C)C)cc1C ZINC000155415042 639933717 /nfs/dbraw/zinc/93/37/17/639933717.db2.gz TXPGYVDEEHWKPL-OAHLLOKOSA-N 1 0 277.408 3.439 20 10 CGCDRO Cc1cccc(C[NH2+]CCc2cc(F)cc(F)c2)c1O ZINC000158131130 639998271 /nfs/dbraw/zinc/99/82/71/639998271.db2.gz MJSPEMJQWBXBTA-UHFFFAOYSA-N 1 0 277.314 3.311 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc(F)nc2)cc1 ZINC000188995522 640161097 /nfs/dbraw/zinc/16/10/97/640161097.db2.gz PVLQBMDDFDLISG-UHFFFAOYSA-N 1 0 287.382 3.357 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2CCSCC[C@@H]2C)cc1C ZINC000189916895 640212304 /nfs/dbraw/zinc/21/23/04/640212304.db2.gz WLGGFZPSHYYOMU-ZDUSSCGKSA-N 1 0 265.422 3.336 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](CO)Cc2ccccc2C)c1 ZINC000191566864 640319262 /nfs/dbraw/zinc/31/92/62/640319262.db2.gz DZGNGOCGFFKIOO-RDJZCZTQSA-N 1 0 299.414 3.263 20 10 CGCDRO Oc1cccc2c1CCC[C@H]2[NH2+]Cc1ccc2c(c1)CCO2 ZINC000191663874 640325795 /nfs/dbraw/zinc/32/57/95/640325795.db2.gz GOPBJNNLCUQDFF-QGZVFWFLSA-N 1 0 295.382 3.494 20 10 CGCDRO Cc1cc(C[N@@H+]2CCO[C@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000192595963 640390160 /nfs/dbraw/zinc/39/01/60/640390160.db2.gz KHSRJVFNENNROT-CYBMUJFWSA-N 1 0 277.408 3.219 20 10 CGCDRO COc1cccc(C[N@H+](C)Cc2ccccc2O)c1F ZINC000192943181 640420649 /nfs/dbraw/zinc/42/06/49/640420649.db2.gz AYIVZCINNMXZHA-UHFFFAOYSA-N 1 0 275.323 3.172 20 10 CGCDRO COC[C@H](Cc1ccccc1)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000080243993 640457205 /nfs/dbraw/zinc/45/72/05/640457205.db2.gz VYNRMEXFMPLUQD-SFHVURJKSA-N 1 0 298.430 3.100 20 10 CGCDRO C[C@@H](c1ccccc1)[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000194004997 640506204 /nfs/dbraw/zinc/50/62/04/640506204.db2.gz LXJTXVAILCXWQJ-LBPRGKRZSA-N 1 0 285.343 3.314 20 10 CGCDRO CCCN(Cc1ccccc1O)c1ccc(C[NH3+])cc1 ZINC000194979965 640560780 /nfs/dbraw/zinc/56/07/80/640560780.db2.gz RDILHMBVVAGTJR-UHFFFAOYSA-N 1 0 270.376 3.268 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H]2C[C@H](C)O)cc1 ZINC000245713967 640633578 /nfs/dbraw/zinc/63/35/78/640633578.db2.gz GMSGVDVSQAPTAW-MAUKXSAKSA-N 1 0 290.451 3.268 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)[C@H]1CCCO1 ZINC000090858438 640693406 /nfs/dbraw/zinc/69/34/06/640693406.db2.gz KNDRXOUVPAVUGB-RRQGHBQHSA-N 1 0 276.424 3.361 20 10 CGCDRO CC1(C)C[N@H+](Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000091917286 640726456 /nfs/dbraw/zinc/72/64/56/640726456.db2.gz KXDSRRJKVDTVQL-UHFFFAOYSA-N 1 0 288.435 3.288 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](OCC(C)C)C2)c1O ZINC000091964308 640728084 /nfs/dbraw/zinc/72/80/84/640728084.db2.gz OYJKKEXTXUHVNW-OAHLLOKOSA-N 1 0 293.407 3.038 20 10 CGCDRO CC(C)[N@@H+](Cc1ccc(N2CCCCC2)cc1)C[C@@H](C)O ZINC000093143524 640758186 /nfs/dbraw/zinc/75/81/86/640758186.db2.gz CCCSWOBPZYWKEF-MRXNPFEDSA-N 1 0 290.451 3.268 20 10 CGCDRO CC(C)[N@@H+](Cc1ccc(N2CCCCC2)cc1)C[C@H](C)O ZINC000093143532 640759145 /nfs/dbraw/zinc/75/91/45/640759145.db2.gz CCCSWOBPZYWKEF-INIZCTEOSA-N 1 0 290.451 3.268 20 10 CGCDRO CC[C@H](C)[C@H](O)C[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000248514952 640765473 /nfs/dbraw/zinc/76/54/73/640765473.db2.gz NWCSOEOEZWTGMJ-VEVIJQCQSA-N 1 0 291.435 3.329 20 10 CGCDRO CC1(C)CCCC[C@@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000094324050 640793701 /nfs/dbraw/zinc/79/37/01/640793701.db2.gz GZRCLHNAXLLEKF-HNNXBMFYSA-N 1 0 277.364 3.179 20 10 CGCDRO C[C@H](C[C@H](O)c1ccco1)[NH2+]Cc1cc(Cl)ccc1O ZINC000305712695 640899861 /nfs/dbraw/zinc/89/98/61/640899861.db2.gz GFBSHISFCDLRQG-YGRLFVJLSA-N 1 0 295.766 3.240 20 10 CGCDRO Cc1c[nH+]c(N(C)Cc2ccc(N(C)C)cc2)cc1C ZINC001156920455 805752963 /nfs/dbraw/zinc/75/29/63/805752963.db2.gz FZVBJFYMQWXSTB-UHFFFAOYSA-N 1 0 269.392 3.401 20 10 CGCDRO Cc1c[nH+]c(NCc2cc3ccccc3cc2O)cc1N ZINC001160205915 806235493 /nfs/dbraw/zinc/23/54/93/806235493.db2.gz CAFQDTIMEUMCHL-UHFFFAOYSA-N 1 0 279.343 3.443 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)Cc2ccco2)c1 ZINC000036993776 798853642 /nfs/dbraw/zinc/85/36/42/798853642.db2.gz CEELXWCVTMDKIU-VXGBXAGGSA-N 1 0 275.348 3.276 20 10 CGCDRO CC(=O)c1cc(F)cc(C[NH+]2CCCCCC2)c1O ZINC000037322642 798866134 /nfs/dbraw/zinc/86/61/34/798866134.db2.gz LFNDSQQYVXIBGV-UHFFFAOYSA-N 1 0 265.328 3.110 20 10 CGCDRO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H](C)C2)c1O ZINC000037322640 798866351 /nfs/dbraw/zinc/86/63/51/798866351.db2.gz OYSSWBCZQQORBG-JTQLQIEISA-N 1 0 281.783 3.480 20 10 CGCDRO CCOC(=O)C1CCC([NH2+][C@H](C)c2ccccc2O)CC1 ZINC000037788144 798874756 /nfs/dbraw/zinc/87/47/56/798874756.db2.gz IRNIRUUWAASXBJ-IYXRBSQSSA-N 1 0 291.391 3.165 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H]1Cc2ccccc2O1)c1ccccc1O ZINC000038009343 798884075 /nfs/dbraw/zinc/88/40/75/798884075.db2.gz MDLKPGHUYSIWKG-GDBMZVCRSA-N 1 0 283.371 3.437 20 10 CGCDRO C[C@H]([NH2+]C[C@H](O)CC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000178430819 799107767 /nfs/dbraw/zinc/10/77/67/799107767.db2.gz FQETZXHBEGRZMT-XJKSGUPXSA-N 1 0 278.440 3.200 20 10 CGCDRO C[C@@H]([NH2+]C[C@H](O)CC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000178430834 799107916 /nfs/dbraw/zinc/10/79/16/799107916.db2.gz FQETZXHBEGRZMT-CZUORRHYSA-N 1 0 278.440 3.200 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CC[C@H]1CCCO1 ZINC000252458086 799166660 /nfs/dbraw/zinc/16/66/60/799166660.db2.gz KEZUJCQDGGIDLS-MCIONIFRSA-N 1 0 275.392 3.408 20 10 CGCDRO COc1ccc(O)c(C[NH2+]Cc2cc(C)cs2)c1 ZINC000379253605 799349627 /nfs/dbraw/zinc/34/96/27/799349627.db2.gz DEEHKRWUPYGNEB-UHFFFAOYSA-N 1 0 263.362 3.061 20 10 CGCDRO CCOCC(C)(C)[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC000380944147 799368989 /nfs/dbraw/zinc/36/89/89/799368989.db2.gz YTCJNWAZSUOXJT-UHFFFAOYSA-N 1 0 278.440 3.438 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCS[C@H]1C)c1cc(F)ccc1O ZINC000383865266 799409940 /nfs/dbraw/zinc/40/99/40/799409940.db2.gz OQJVRRNMHOYQJO-HOTUBEGUSA-N 1 0 255.358 3.076 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]C[C@@H]1CCCSC1 ZINC000384178023 799413218 /nfs/dbraw/zinc/41/32/18/799413218.db2.gz VZSJBSBTXUOQDC-JTQLQIEISA-N 1 0 271.813 3.278 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H](CO)C2CCCCC2)c(O)c1 ZINC000386300531 799434495 /nfs/dbraw/zinc/43/44/95/799434495.db2.gz VJYVIEXYARUCBW-CZUORRHYSA-N 1 0 277.408 3.292 20 10 CGCDRO C[C@@H](CC(F)(F)F)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000386280938 799434613 /nfs/dbraw/zinc/43/46/13/799434613.db2.gz ZQFBGBPSHUMLSS-WCBMZHEXSA-N 1 0 259.271 3.310 20 10 CGCDRO CC(C)[C@H](CO)C[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000394095778 799494367 /nfs/dbraw/zinc/49/43/67/799494367.db2.gz QSUYPKXLDOGIMH-ZFWWWQNUSA-N 1 0 287.403 3.461 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CC23CCCC3)c1 ZINC000395658928 799507241 /nfs/dbraw/zinc/50/72/41/799507241.db2.gz XFTFUZZGGRKYNM-IAQYHMDHSA-N 1 0 261.365 3.384 20 10 CGCDRO COc1cccc(C[NH2+]C2CCC(F)(F)CC2)c1O ZINC000688502523 799748982 /nfs/dbraw/zinc/74/89/82/799748982.db2.gz NQRAXZWBRHKJMG-UHFFFAOYSA-N 1 0 271.307 3.068 20 10 CGCDRO C[C@@H]([NH2+]C[C@@]1(C)CC1(F)F)c1cc(F)ccc1O ZINC000689225450 799763417 /nfs/dbraw/zinc/76/34/17/799763417.db2.gz QLYKVWMIKRAYNO-PRHODGIISA-N 1 0 259.271 3.227 20 10 CGCDRO CCOC[C@H]([NH2+]Cc1cccc(CC)c1O)C(C)C ZINC000691438456 799784028 /nfs/dbraw/zinc/78/40/28/799784028.db2.gz OVDFXAYOTUZSHL-HNNXBMFYSA-N 1 0 265.397 3.105 20 10 CGCDRO CCSC1(C[NH2+][C@@H]2CCc3cccc(O)c32)CC1 ZINC000691872721 799789706 /nfs/dbraw/zinc/78/97/06/799789706.db2.gz HEWJNBUBGWVBAM-GFCCVEGCSA-N 1 0 263.406 3.255 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCCSCC2)cc1 ZINC000692507357 799795943 /nfs/dbraw/zinc/79/59/43/799795943.db2.gz LKMXHWAWNWFUGZ-AWEZNQCLSA-N 1 0 264.438 3.128 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CC2SCCS2)c(O)c1 ZINC000692904366 799803140 /nfs/dbraw/zinc/80/31/40/799803140.db2.gz KQYKBPHKYQWZML-JTQLQIEISA-N 1 0 269.435 3.157 20 10 CGCDRO COc1ccc2c(c1)C[N@@H+](Cc1cc(C)ccc1O)C2 ZINC000692920449 799803492 /nfs/dbraw/zinc/80/34/92/799803492.db2.gz ASAQZHPLQFWXJX-UHFFFAOYSA-N 1 0 269.344 3.225 20 10 CGCDRO COc1cccc(C[NH2+][C@@H]2CCCC[C@H]2C2CC2)c1O ZINC000695889631 799836238 /nfs/dbraw/zinc/83/62/38/799836238.db2.gz FPFVZFUJHSNPMU-LSDHHAIUSA-N 1 0 275.392 3.459 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC[C@@H]2CC2(F)F)c1 ZINC000701949398 799900217 /nfs/dbraw/zinc/90/02/17/799900217.db2.gz CRBGMZOKMDWLEE-NXEZZACHSA-N 1 0 271.307 3.097 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C2CCC(C)(O)CC2)c1 ZINC000703544504 799925651 /nfs/dbraw/zinc/92/56/51/799925651.db2.gz OUWXUZRCDGYUJB-FUJMWEONSA-N 1 0 263.381 3.045 20 10 CGCDRO COC1CCC([NH2+][C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000703786367 799929583 /nfs/dbraw/zinc/92/95/83/799929583.db2.gz AHGZQKRMJLZFNF-BZOOQXSSSA-N 1 0 276.424 3.361 20 10 CGCDRO CCOC1CCC([NH2+][C@@H](C)c2ccccc2O)CC1 ZINC000703808681 799930149 /nfs/dbraw/zinc/93/01/49/799930149.db2.gz REFFAYRCYFTKJB-HSBZDZAISA-N 1 0 263.381 3.391 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CC[C@H]2CCSC2)c(O)c1 ZINC000704789680 799939698 /nfs/dbraw/zinc/93/96/98/799939698.db2.gz HALUVCYOXICNKN-STQMWFEESA-N 1 0 265.422 3.494 20 10 CGCDRO CCOc1cccc(C[NH2+]CC[C@H]2CCSC2)c1O ZINC000704811697 799941554 /nfs/dbraw/zinc/94/15/54/799941554.db2.gz IXUKNCHMZHZHGJ-LBPRGKRZSA-N 1 0 281.421 3.024 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]CC[C@@H]1CCSC1)CC2 ZINC000704814526 799942984 /nfs/dbraw/zinc/94/29/84/799942984.db2.gz NCTQWVGSXRFKQS-DGCLKSJQSA-N 1 0 263.406 3.112 20 10 CGCDRO CC/C=C\C[NH2+]Cc1c(O)cccc1Br ZINC000706835690 799967138 /nfs/dbraw/zinc/96/71/38/799967138.db2.gz MZXFWTAPQLACRJ-ARJAWSKDSA-N 1 0 270.170 3.211 20 10 CGCDRO CC[C@H]([NH2+]CCc1ccns1)c1ccccc1O ZINC000710009878 800027941 /nfs/dbraw/zinc/02/79/41/800027941.db2.gz MNAONJJVFZXRAG-ZDUSSCGKSA-N 1 0 262.378 3.132 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC3(CCC3)O2)c(O)c1 ZINC000711454229 800060247 /nfs/dbraw/zinc/06/02/47/800060247.db2.gz AQXBMLGOZGSGJY-UONOGXRCSA-N 1 0 275.392 3.453 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1ccns1 ZINC000716002377 800159513 /nfs/dbraw/zinc/15/95/13/800159513.db2.gz ZCBROQNBVOTZPO-DTWKUNHWSA-N 1 0 266.341 3.400 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]CC1C[C@H]2CC[C@@H](C1)S2 ZINC000716027171 800160420 /nfs/dbraw/zinc/16/04/20/800160420.db2.gz CWIFKEUFRHXWSU-FTNCPSPGSA-N 1 0 281.396 3.295 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CC(C)(C)CO2)c1 ZINC000717324653 800201021 /nfs/dbraw/zinc/20/10/21/800201021.db2.gz YVPVKRHBWDFKJS-STQMWFEESA-N 1 0 263.381 3.166 20 10 CGCDRO CC1(C[NH2+]Cc2ccc3c(c2)CCO3)CC(F)(F)C1 ZINC000720901855 800270703 /nfs/dbraw/zinc/27/07/03/800270703.db2.gz VDRRNIJTLATUSQ-UHFFFAOYSA-N 1 0 267.319 3.147 20 10 CGCDRO CC[C@@H](C[C@](C)(O)CC)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000924573233 800626040 /nfs/dbraw/zinc/62/60/40/800626040.db2.gz GQWQJNNFZFXOSQ-DOTOQJQBSA-N 1 0 278.440 3.172 20 10 CGCDRO CC(C)Oc1ccc(N(CCC[NH3+])C(C)C)cc1 ZINC001164122790 806896668 /nfs/dbraw/zinc/89/66/68/806896668.db2.gz OHFPSOIKMXTKAB-UHFFFAOYSA-N 1 0 250.386 3.037 20 10 CGCDRO Oc1cccc(C[NH2+][C@H]2CCO[C@H](c3ccccc3)C2)c1O ZINC001256791638 806979099 /nfs/dbraw/zinc/97/90/99/806979099.db2.gz BXXYKLBUCSURKB-RDJZCZTQSA-N 1 0 299.370 3.108 20 10 CGCDRO C[N@H+](Cc1ccccc1O)C[C@@]1(C)CC1(Cl)Cl ZINC001117756523 802488096 /nfs/dbraw/zinc/48/80/96/802488096.db2.gz DVFJYICFPYAQOT-GFCCVEGCSA-N 1 0 274.191 3.408 20 10 CGCDRO CC[N@H+](Cc1cn2ccccc2n1)Cc1ccccc1O ZINC001136881749 803658568 /nfs/dbraw/zinc/65/85/68/803658568.db2.gz CFCMMKSRYXBIDI-UHFFFAOYSA-N 1 0 281.359 3.062 20 10 CGCDRO C[N@H+](CCC(=O)c1ccccc1)Cc1c([O-])cccc1F ZINC001137839099 803781405 /nfs/dbraw/zinc/78/14/05/803781405.db2.gz RAYQJFJIXVDYOX-UHFFFAOYSA-N 1 0 287.334 3.236 20 10 CGCDRO Cc1cc(C[N@@H+]2CCC[C@@H](O)C2)c(C)n1-c1ccccc1 ZINC001137854104 803784298 /nfs/dbraw/zinc/78/42/98/803784298.db2.gz INORWZNPAINJOV-GOSISDBHSA-N 1 0 284.403 3.051 20 10 CGCDRO Cc1cc(C[N@@H+]2CCC3(COC3)C2)c(C)n1-c1ccccc1 ZINC001137856165 803785372 /nfs/dbraw/zinc/78/53/72/803785372.db2.gz SEAPBWRZNIDGKF-UHFFFAOYSA-N 1 0 296.414 3.316 20 10 CGCDRO Cc1cc(C[N@H+]2CC[C@@H](CO)[C@H]2C)c(C)n1-c1ccccc1 ZINC001137854316 803785590 /nfs/dbraw/zinc/78/55/90/803785590.db2.gz RCSGIVJIRYJNHQ-WBVHZDCISA-N 1 0 298.430 3.297 20 10 CGCDRO CC[N@@H+]1CCCN(Cc2c(C)n(C)c3ccccc32)CC1 ZINC001138252951 803882204 /nfs/dbraw/zinc/88/22/04/803882204.db2.gz XZQIULWKDUTGHJ-UHFFFAOYSA-N 1 0 285.435 3.014 20 10 CGCDRO Cc1c(C[N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)c2ccccc2n1C ZINC001138258402 803883785 /nfs/dbraw/zinc/88/37/85/803883785.db2.gz RJONCOBWXYSISF-MKZZRHPPSA-N 1 0 272.367 3.134 20 10 CGCDRO CCC[NH+]1CCN(Cc2c(C)n(C)c3ccccc32)CC1 ZINC001138258363 803885675 /nfs/dbraw/zinc/88/56/75/803885675.db2.gz QZUZJVIBMRWFQG-UHFFFAOYSA-N 1 0 285.435 3.014 20 10 CGCDRO CN1CCCc2cc(C[N@@H+]3CCC[C@@H](F)CC3)ccc21 ZINC001138354221 803900106 /nfs/dbraw/zinc/90/01/06/803900106.db2.gz BGSLRHOYWMRJMZ-MRXNPFEDSA-N 1 0 276.399 3.393 20 10 CGCDRO CN1CCCc2cc(C[N@@H+]3C[C@@H]4C[C@H]3C[C@@H]4F)ccc21 ZINC001138357038 803900767 /nfs/dbraw/zinc/90/07/67/803900767.db2.gz ZRTVPSPNMHCAMY-JYJNAYRXSA-N 1 0 274.383 3.001 20 10 CGCDRO COc1cccc(F)c1CN(C)Cc1ccccc1O ZINC001138385960 803913523 /nfs/dbraw/zinc/91/35/23/803913523.db2.gz FZMJLLRWGLAJNL-UHFFFAOYSA-N 1 0 275.323 3.172 20 10 CGCDRO CCCCC[N@H+](C)Cc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001139126804 804134324 /nfs/dbraw/zinc/13/43/24/804134324.db2.gz QOKWVGSKWVLLNM-UHFFFAOYSA-N 1 0 289.375 3.429 20 10 CGCDRO CCOCC1CC[NH+](Cc2ccc(N(C)C)c(C)c2)CC1 ZINC001139672812 804247453 /nfs/dbraw/zinc/24/74/53/804247453.db2.gz GZRCZAQATGRCJG-UHFFFAOYSA-N 1 0 290.451 3.310 20 10 CGCDRO Cc1cc(C[N@H+](C)CCc2cccnc2)ccc1N(C)C ZINC001139673005 804247845 /nfs/dbraw/zinc/24/78/45/804247845.db2.gz NLKKWZLVVZAYHG-UHFFFAOYSA-N 1 0 283.419 3.131 20 10 CGCDRO Cc1cc(C[NH+]2CC3(C2)CCCC3)ccc1N(C)C ZINC001139671140 804248368 /nfs/dbraw/zinc/24/83/68/804248368.db2.gz SJMQFVFHVUZGNE-UHFFFAOYSA-N 1 0 258.409 3.437 20 10 CGCDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@@H](F)C(F)(F)CC1 ZINC001140057407 804364848 /nfs/dbraw/zinc/36/48/48/804364848.db2.gz GKILFOAVTBIQHK-GFCCVEGCSA-N 1 0 277.261 3.101 20 10 CGCDRO Oc1ccc(C[N@@H+]2CCc3cccc(O)c3C2)c(Cl)c1 ZINC001140083473 804374115 /nfs/dbraw/zinc/37/41/15/804374115.db2.gz OMQDPFISBOVWTM-UHFFFAOYSA-N 1 0 289.762 3.310 20 10 CGCDRO Cc1noc([C@@H]2CCC[N@@H+]2Cc2c(C)ccc(C)c2O)n1 ZINC001140183618 804396177 /nfs/dbraw/zinc/39/61/77/804396177.db2.gz FEKNZYPLZCQTLF-AWEZNQCLSA-N 1 0 287.363 3.038 20 10 CGCDRO CCCC[N@H+](CC(=O)OCC)Cc1c(C)ccc(C)c1O ZINC001140183357 804396320 /nfs/dbraw/zinc/39/63/20/804396320.db2.gz CYYYKYLBSBOYDG-UHFFFAOYSA-N 1 0 293.407 3.174 20 10 CGCDRO C[C@]1(CO)CCC[N@H+](Cc2ccc(Cl)cc2O)CC1 ZINC001140462931 804440801 /nfs/dbraw/zinc/44/08/01/804440801.db2.gz OOHWWEBLMHMFDM-HNNXBMFYSA-N 1 0 283.799 3.030 20 10 CGCDRO CO[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(Cl)cc3O)C[C@@H]21 ZINC001140465115 804443354 /nfs/dbraw/zinc/44/33/54/804443354.db2.gz IMUMUTKHDFMCJG-DIOULYMOSA-N 1 0 295.810 3.293 20 10 CGCDRO CC[NH+](CC)C1CCN(Cc2ccc(Cl)cc2O)CC1 ZINC001140466957 804443832 /nfs/dbraw/zinc/44/38/32/804443832.db2.gz NOFWIAJPTVRPLV-UHFFFAOYSA-N 1 0 296.842 3.352 20 10 CGCDRO Nc1ccc(Cl)cc1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001140717633 804496296 /nfs/dbraw/zinc/49/62/96/804496296.db2.gz HRLPKYHWMYPBAZ-UHFFFAOYSA-N 1 0 288.778 3.186 20 10 CGCDRO Cc1c(O)ccc(C[N@H+]2CCC[C@H](C)[C@H](C)C2)c1O ZINC001140742161 804502461 /nfs/dbraw/zinc/50/24/61/804502461.db2.gz JFGADYBWMLJGRZ-NWDGAFQWSA-N 1 0 263.381 3.274 20 10 CGCDRO CC[C@H](C)[N@H+](C)Cc1ccc(N(CC)CC)cc1O ZINC001140852922 804533413 /nfs/dbraw/zinc/53/34/13/804533413.db2.gz FGLYSPYOZLBHJE-ZDUSSCGKSA-N 1 0 264.413 3.469 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)c(O)c1 ZINC001140855925 804534182 /nfs/dbraw/zinc/53/41/82/804534182.db2.gz NGPKURQQDYOLOQ-BPUTZDHNSA-N 1 0 292.398 3.171 20 10 CGCDRO CC(C)[N@@H+](Cc1ccc2c(c1)OCCN2C)CC1CC1 ZINC001141142900 804596733 /nfs/dbraw/zinc/59/67/33/804596733.db2.gz FYVJBWNPIIUHNQ-UHFFFAOYSA-N 1 0 274.408 3.136 20 10 CGCDRO Cc1cccc(C[N@@H+](C)Cc2cc(O)ccc2O)c1 ZINC001141156551 804599783 /nfs/dbraw/zinc/59/97/83/804599783.db2.gz ZSEVNLIOGUWGNV-UHFFFAOYSA-N 1 0 257.333 3.038 20 10 CGCDRO C[N@H+](CCc1ccc(F)cc1)Cc1cc(F)c(F)cc1[O-] ZINC001142524921 804731792 /nfs/dbraw/zinc/73/17/92/804731792.db2.gz PRSOJJJPQNPACG-UHFFFAOYSA-N 1 0 295.304 3.484 20 10 CGCDRO CC(C)(C)c1cccc(C[N@@H+]2CCCC[C@@](C)(O)C2)c1O ZINC001143104598 804802254 /nfs/dbraw/zinc/80/22/54/804802254.db2.gz WBKCGLFKMIYYEU-GOSISDBHSA-N 1 0 291.435 3.427 20 10 CGCDRO CC(C)(C)C1CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144499851 804995734 /nfs/dbraw/zinc/99/57/34/804995734.db2.gz MDTMTZFVPGTUEK-UHFFFAOYSA-N 1 0 279.380 3.062 20 10 CGCDRO COc1ccc(C[N@H+](C)Cc2ccc(N(C)C)cc2)nc1C ZINC001249914149 805302578 /nfs/dbraw/zinc/30/25/78/805302578.db2.gz POTPHOSPKVQAPM-UHFFFAOYSA-N 1 0 299.418 3.097 20 10 CGCDRO CCC[C@@H](C)CC[C@@H](C)[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001257462621 807168193 /nfs/dbraw/zinc/16/81/93/807168193.db2.gz DPBBVQWWAFNWDF-XNJGSVPQSA-N 1 0 295.423 3.326 20 10 CGCDRO CC[NH+](CC)CCC[C@H](C)[N@H+](C)Cc1ccccc1O ZINC001167838213 807258671 /nfs/dbraw/zinc/25/86/71/807258671.db2.gz RSTACYNNWWBJMB-HNNXBMFYSA-N 1 0 278.440 3.335 20 10 CGCDRO CC(C)C[C@H](C)C[C@H](C)[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC001258065594 807284763 /nfs/dbraw/zinc/28/47/63/807284763.db2.gz MDKHCGIJVVTBEZ-STQMWFEESA-N 1 0 293.407 3.331 20 10 CGCDRO CC[C@@H](C)C[C@@H](CC)[NH2+]CCc1cc(O)c(O)cc1O ZINC001258780593 807608725 /nfs/dbraw/zinc/60/87/25/807608725.db2.gz PLSZMJCAOHXNNM-DGCLKSJQSA-N 1 0 281.396 3.150 20 10 CGCDRO CC[C@H](Cc1ccccc1)[NH2+]Cc1ccc(O)c(O)c1 ZINC001258841413 807653526 /nfs/dbraw/zinc/65/35/26/807653526.db2.gz KTNFOQKNFSZLMZ-OAHLLOKOSA-N 1 0 271.360 3.209 20 10 CGCDRO CC[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)CCO1 ZINC001170177625 807786323 /nfs/dbraw/zinc/78/63/23/807786323.db2.gz IIKZBBJHMSCKMV-LXZKKBNFSA-N 1 0 276.424 3.361 20 10 CGCDRO CC1(C)[C@@H]2C[C@H]([N@@H+]3CCCc4cc(O)c(O)cc4C3)C[C@@H]21 ZINC001170765437 807902270 /nfs/dbraw/zinc/90/22/70/807902270.db2.gz SSHCQYHBLZTEJX-QDMKHBRRSA-N 1 0 287.403 3.281 20 10 CGCDRO CCOC[C@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC001171025967 807963830 /nfs/dbraw/zinc/96/38/30/807963830.db2.gz JXZAZTXKBNXQJB-QGZVFWFLSA-N 1 0 290.451 3.452 20 10 CGCDRO Cc1cc(C)c(C[NH2+][C@H]2Cc3cccc(F)c3C2)c(O)c1 ZINC001171783165 808139508 /nfs/dbraw/zinc/13/95/08/808139508.db2.gz LHVREEKARYBWBN-AWEZNQCLSA-N 1 0 285.362 3.405 20 10 CGCDRO CC[C@@H](CC(C)C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC001172385326 808279349 /nfs/dbraw/zinc/27/93/49/808279349.db2.gz LFPUECJZLHOOQC-KRWDZBQOSA-N 1 0 290.451 3.438 20 10 CGCDRO Nc1ccc(Cc2ccc(Nc3cc[nH+]cc3)cc2)cc1 ZINC001173883756 808738079 /nfs/dbraw/zinc/73/80/79/808738079.db2.gz ZXQHOJFQXLLUQX-UHFFFAOYSA-N 1 0 275.355 3.420 20 10 CGCDRO Cc1noc(C)c1CC[NH2+]Cc1c(C)c2ccccc2n1C ZINC001177697565 809816011 /nfs/dbraw/zinc/81/60/11/809816011.db2.gz CZEFOKVZEACUJO-UHFFFAOYSA-N 1 0 297.402 3.424 20 10 CGCDRO CCCOc1ccc(C[NH2+]CCN2CC=CCC2)cc1C ZINC001178606098 809879417 /nfs/dbraw/zinc/87/94/17/809879417.db2.gz WFXYGLSRUGBILB-UHFFFAOYSA-N 1 0 288.435 3.135 20 10 CGCDRO CCn1cc(C[N@H+](C)Cc2cc(C(C)C)ccc2O)cn1 ZINC001179931487 809959637 /nfs/dbraw/zinc/95/96/37/809959637.db2.gz LVOQBDNYJXJWDO-UHFFFAOYSA-N 1 0 287.407 3.364 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CCSCC[C@H]2C)c(O)c1 ZINC001180866088 810025014 /nfs/dbraw/zinc/02/50/14/810025014.db2.gz YPCVZWMDDJFGGO-GFCCVEGCSA-N 1 0 281.421 3.037 20 10 CGCDRO Oc1cc(Cl)ccc1C[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC001183371803 810147528 /nfs/dbraw/zinc/14/75/28/810147528.db2.gz TXIRLVZIMVEPQY-RYUDHWBXSA-N 1 0 283.824 3.231 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C2([C@@H]3CCCCO3)CCC2)cc1 ZINC001197222652 811407010 /nfs/dbraw/zinc/40/70/10/811407010.db2.gz ZMJSOYVTGUNENF-KRWDZBQOSA-N 1 0 288.435 3.334 20 10 CGCDRO c1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc3c(c1)CCCO3)CO2 ZINC001200331696 811679350 /nfs/dbraw/zinc/67/93/50/811679350.db2.gz AUGSTKBWCGAIQT-QGZVFWFLSA-N 1 0 295.382 3.105 20 10 CGCDRO CC[C@H](C)[C@@](C)(O)C[NH2+]Cc1c(C)c2ccccc2n1C ZINC001200459874 811694302 /nfs/dbraw/zinc/69/43/02/811694302.db2.gz NQNJWJOSANDGIK-UGSOOPFHSA-N 1 0 288.435 3.373 20 10 CGCDRO CCCOc1ccc(C[NH2+]CCC2(CO)CCC2)cc1C ZINC001203018802 812218199 /nfs/dbraw/zinc/21/81/99/812218199.db2.gz UDXJTBQIOZRCKG-UHFFFAOYSA-N 1 0 291.435 3.426 20 10 CGCDRO CC1(C)C[N@H+](Cc2ccccc2O)CCC1(F)F ZINC001203550278 812391205 /nfs/dbraw/zinc/39/12/05/812391205.db2.gz PMTLEMUUOGNGHD-UHFFFAOYSA-N 1 0 255.308 3.259 20 10 CGCDRO Cc1cccc(C)c1N1CC[NH+](Cc2ccccc2O)CC1 ZINC001203560881 812391922 /nfs/dbraw/zinc/39/19/22/812391922.db2.gz JDFZSNCLQCNXGS-UHFFFAOYSA-N 1 0 296.414 3.331 20 10 CGCDRO COc1cccc(C[N@@H+]2Cc3cccc(C)c3C2)c1O ZINC001203584857 812400181 /nfs/dbraw/zinc/40/01/81/812400181.db2.gz IDZWMAXPUNJRHL-UHFFFAOYSA-N 1 0 269.344 3.225 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCCC[C@H](F)C1 ZINC001203651524 812416187 /nfs/dbraw/zinc/41/61/87/812416187.db2.gz QNXFOGBNEOLPGM-LBPRGKRZSA-N 1 0 257.736 3.370 20 10 CGCDRO CC[N@H+](Cc1cccc(O)c1)Cc1ccccc1O ZINC001203863665 812475549 /nfs/dbraw/zinc/47/55/49/812475549.db2.gz JLKLBWSRFFOJOS-UHFFFAOYSA-N 1 0 257.333 3.120 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](COCC3CC3)C2)cc1 ZINC001203937654 812497532 /nfs/dbraw/zinc/49/75/32/812497532.db2.gz JFAGRKOVTUMZLZ-QGZVFWFLSA-N 1 0 288.435 3.001 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCCC[C@H]2C(C)=O)cc1 ZINC001203941698 812497583 /nfs/dbraw/zinc/49/75/83/812497583.db2.gz FJBOHLWWVPRGDT-SFHVURJKSA-N 1 0 288.435 3.476 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CCc3cccc(O)c3C2)cc1 ZINC001203971061 812505017 /nfs/dbraw/zinc/50/50/17/812505017.db2.gz WCQGYQUOAGCIJR-UHFFFAOYSA-N 1 0 283.371 3.349 20 10 CGCDRO Oc1cc2c(cc1O)C[N@H+](Cc1ccsc1)CCC2 ZINC001204043011 812530246 /nfs/dbraw/zinc/53/02/46/812530246.db2.gz SGZAXLFNCWWMDC-UHFFFAOYSA-N 1 0 275.373 3.108 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)c3ccccc23)CCN1C ZINC001204243310 812583202 /nfs/dbraw/zinc/58/32/02/812583202.db2.gz WGUTYCSNDAGWMX-OAHLLOKOSA-N 1 0 297.446 3.042 20 10 CGCDRO Oc1ccc(C[N@@H+]2CC[C@H](c3ccccc3F)C2)c(O)c1 ZINC001204275307 812593807 /nfs/dbraw/zinc/59/38/07/812593807.db2.gz OLGKPHCRECAVPT-LBPRGKRZSA-N 1 0 287.334 3.226 20 10 CGCDRO Oc1ccc(C[NH+]2CCC3(CC[C@@H](F)C3)CC2)c(O)c1 ZINC001204281510 812596356 /nfs/dbraw/zinc/59/63/56/812596356.db2.gz SOWSTHIWIAGSAB-CYBMUJFWSA-N 1 0 279.355 3.202 20 10 CGCDRO c1cc(N2CCCC2)ccc1C[N@@H+]1CCC[C@]2(CCO2)C1 ZINC001204322317 812613267 /nfs/dbraw/zinc/61/32/67/812613267.db2.gz QOZQRGWNIWHRKH-SFHVURJKSA-N 1 0 286.419 3.042 20 10 CGCDRO c1cc(N2CCCC2)ccc1C[N@@H+]1CCC2(CC2)C1 ZINC001204326269 812614387 /nfs/dbraw/zinc/61/43/87/812614387.db2.gz WQHFHABBYVEMGQ-UHFFFAOYSA-N 1 0 256.393 3.273 20 10 CGCDRO CC(C)(C)c1cccc(CN2CCCC[C@H]2C[NH3+])c1O ZINC001204925425 812778450 /nfs/dbraw/zinc/77/84/50/812778450.db2.gz SIEZGFXOCVVWAZ-AWEZNQCLSA-N 1 0 276.424 3.003 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+][C@@H]2CCC[C@@H]2CCO)c1 ZINC001205492763 812990739 /nfs/dbraw/zinc/99/07/39/812990739.db2.gz NFAAUPNOACBOOX-CZUORRHYSA-N 1 0 277.408 3.156 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H]2COc3c(C)cccc3C2)c1O ZINC001206120742 813206843 /nfs/dbraw/zinc/20/68/43/813206843.db2.gz DMCYGXOPOGHBFP-KRWDZBQOSA-N 1 0 297.398 3.356 20 10 CGCDRO Cc1ccc(C[NH2+][C@H](CO)Cc2ccc(C)c(C)c2)c(O)c1 ZINC001206152369 813215178 /nfs/dbraw/zinc/21/51/78/813215178.db2.gz YSYRCXZBKPRQCT-SFHVURJKSA-N 1 0 299.414 3.011 20 10 CGCDRO CC[C@@H]1C[NH+](Cc2ccc(N(C)C)cc2C)C[C@@H](CC)O1 ZINC001206351674 813300843 /nfs/dbraw/zinc/30/08/43/813300843.db2.gz WGAZNLXOLBNSLT-QZTJIDSGSA-N 1 0 290.451 3.450 20 10 CGCDRO CC[N@@H+](Cc1ccccc1O)C[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC001207631481 813621729 /nfs/dbraw/zinc/62/17/29/813621729.db2.gz ICPYJRSHDCMHFL-LZWOXQAQSA-N 1 0 257.377 3.426 20 10 CGCDRO CC[N@@H+](Cc1ccc(N(C)C)cc1)C[C@H]1CCCCO1 ZINC001207961964 813680880 /nfs/dbraw/zinc/68/08/80/813680880.db2.gz FGYOMYFYLCNEQE-QGZVFWFLSA-N 1 0 276.424 3.144 20 10 CGCDRO CCOC(C)(C)C[N@H+](CC)Cc1ccccc1O ZINC001209076157 813928238 /nfs/dbraw/zinc/92/82/38/813928238.db2.gz CXRUQEZQYCFNAG-UHFFFAOYSA-N 1 0 251.370 3.029 20 10 CGCDRO Cn1c[nH+]cc1Nc1cccc2c1C(=O)c1ccccc1-2 ZINC001211251258 814861401 /nfs/dbraw/zinc/86/14/01/814861401.db2.gz CJOIFGFTIXMAPK-UHFFFAOYSA-N 1 0 275.311 3.375 20 10 CGCDRO Oc1cccc(Cl)c1CN1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222390387 816428659 /nfs/dbraw/zinc/42/86/59/816428659.db2.gz OPUKIAGUNSTINN-INIZCTEOSA-N 1 0 294.826 3.154 20 10 CGCDRO COC(C)(C)[C@H]1CCC[N@@H+]1Cc1cccc(C)c1O ZINC001231593178 818131630 /nfs/dbraw/zinc/13/16/30/818131630.db2.gz QESUHHOXZUAEOP-CQSZACIVSA-N 1 0 263.381 3.090 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCOC[C@H]2Cc2ccccc2)c1O ZINC001231595037 818133245 /nfs/dbraw/zinc/13/32/45/818133245.db2.gz RCWWUZOZHDLBKP-GOSISDBHSA-N 1 0 297.398 3.144 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)c1O ZINC001231594673 818133563 /nfs/dbraw/zinc/13/35/63/818133563.db2.gz MYGOBEHXMMFJFP-UHFFFAOYSA-N 1 0 299.370 3.060 20 10 CGCDRO Cc1cc(C)c(C[N@H+](C)CCc2ccncc2)c(O)c1 ZINC001231844036 818186499 /nfs/dbraw/zinc/18/64/99/818186499.db2.gz FPODFBSYDNODSB-UHFFFAOYSA-N 1 0 270.376 3.079 20 10 CGCDRO CCC[NH+](CCC)Cc1ccc(N(C)C)cc1OC ZINC001231848465 818187549 /nfs/dbraw/zinc/18/75/49/818187549.db2.gz HLHAEQPZJSPWNS-UHFFFAOYSA-N 1 0 264.413 3.383 20 10 CGCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H]2CCC[C@H]2C1 ZINC001231851370 818188797 /nfs/dbraw/zinc/18/87/97/818188797.db2.gz GJGXRMSQCKIZQI-GJZGRUSLSA-N 1 0 288.435 3.383 20 10 CGCDRO CO[C@H]1CC[N@H+](Cc2c(C)cc(C)cc2O)[C@H](C)C1 ZINC001231850939 818188813 /nfs/dbraw/zinc/18/88/13/818188813.db2.gz XGNLTLWVPUXCOT-KGLIPLIRSA-N 1 0 263.381 3.008 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H]2CF)cc1Cl ZINC001231872210 818193099 /nfs/dbraw/zinc/19/30/99/818193099.db2.gz XSUQEGFSCPVXDD-LLVKDONJSA-N 1 0 257.736 3.288 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2O)C[C@@]1(C)O ZINC001231879827 818199389 /nfs/dbraw/zinc/19/93/89/818199389.db2.gz RFVNLHMQOBWDQY-FZKQIMNGSA-N 1 0 285.387 3.138 20 10 CGCDRO CC(C)OC1CC[NH+](Cc2cc(Cl)c(O)cc2O)CC1 ZINC001232264650 818298410 /nfs/dbraw/zinc/29/84/10/818298410.db2.gz DUSDJLSMDUQMLW-UHFFFAOYSA-N 1 0 299.798 3.141 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)Cc2cccc(F)c2)c(O)c1 ZINC001232834959 818451585 /nfs/dbraw/zinc/45/15/85/818451585.db2.gz SCCIOOKTIVJWRT-UHFFFAOYSA-N 1 0 288.366 3.229 20 10 CGCDRO C[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(N(C)C)cc1O ZINC001232841088 818453717 /nfs/dbraw/zinc/45/37/17/818453717.db2.gz RVRSINPALBBBLO-CQSZACIVSA-N 1 0 296.414 3.405 20 10 CGCDRO CCCC[NH+](CCCC)Cc1cc(O)c(O)c(O)c1 ZINC001233014003 818503059 /nfs/dbraw/zinc/50/30/59/818503059.db2.gz WCYXABQWDDOWKS-UHFFFAOYSA-N 1 0 267.369 3.206 20 10 CGCDRO CC[C@H](c1ccccc1)[N@H+](C)Cc1cc(O)c(O)c(O)c1 ZINC001233016723 818503259 /nfs/dbraw/zinc/50/32/59/818503259.db2.gz MALBXWUWPPECNY-CQSZACIVSA-N 1 0 287.359 3.387 20 10 CGCDRO CC[N@H+](Cc1cccc2c1CCO2)Cc1ccccc1O ZINC001233277928 818564289 /nfs/dbraw/zinc/56/42/89/818564289.db2.gz XRECUVXTQABFEN-UHFFFAOYSA-N 1 0 283.371 3.349 20 10 CGCDRO C[C@@H]1C[C@@H](O)CC[N@@H+]1Cc1cc(C(C)(C)C)ccc1O ZINC001233286420 818568030 /nfs/dbraw/zinc/56/80/30/818568030.db2.gz TYBNGNJNABMRIC-DOMZBBRYSA-N 1 0 277.408 3.035 20 10 CGCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@@H]2c2cccs2)cc1O ZINC001233485158 818625779 /nfs/dbraw/zinc/62/57/79/818625779.db2.gz LCERNQJYWQUURM-LLVKDONJSA-N 1 0 291.372 3.202 20 10 CGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCC[C@H]3C(C)=O)c2c1 ZINC001234577205 818885483 /nfs/dbraw/zinc/88/54/83/818885483.db2.gz BHLQUOIYLWLQMP-KRWDZBQOSA-N 1 0 299.370 3.107 20 10 CGCDRO CC1(O)CC[NH+](Cc2cccc(-c3ccccc3)c2O)CC1 ZINC001234989258 818969613 /nfs/dbraw/zinc/96/96/13/818969613.db2.gz BTKGSWFFRJTBRI-UHFFFAOYSA-N 1 0 297.398 3.406 20 10 CGCDRO CC(C)(C)c1cccc(CN2CCCCC23C[NH2+]C3)c1O ZINC001235102654 819002838 /nfs/dbraw/zinc/00/28/38/819002838.db2.gz SYDMKBYFHQKDRA-UHFFFAOYSA-N 1 0 288.435 3.018 20 10 CGCDRO C[C@H]1CC[N@H+](Cc2ccc(C(C)(C)C)cc2O)CCC1=O ZINC001235673818 819135224 /nfs/dbraw/zinc/13/52/24/819135224.db2.gz ADUDNIAMLUTOPU-ZDUSSCGKSA-N 1 0 289.419 3.491 20 10 CGCDRO CC(C)(C)c1ccc(C[N@@H+]2CCCC[C@@H](O)C2)c(O)c1 ZINC001235676371 819137331 /nfs/dbraw/zinc/13/73/31/819137331.db2.gz RKMGKIUSULMADF-OAHLLOKOSA-N 1 0 277.408 3.037 20 10 CGCDRO C[C@@H]1C[C@H](O)CC[N@@H+]1Cc1ccc(C(C)(C)C)cc1O ZINC001235677137 819137474 /nfs/dbraw/zinc/13/74/74/819137474.db2.gz BRTRPYNPQWYBNE-IUODEOHRSA-N 1 0 277.408 3.035 20 10 CGCDRO Cc1cc(O)c(CN2CC[NH2+][C@@H](CC(C)C)C2)cc1Cl ZINC001235882721 819195123 /nfs/dbraw/zinc/19/51/23/819195123.db2.gz XELFSZWXDUTPDX-AWEZNQCLSA-N 1 0 296.842 3.174 20 10 CGCDRO C[C@@H]1CN(Cc2ccc(N(C)C)c3ccccc23)C[C@H](C)[NH2+]1 ZINC001235897517 819208315 /nfs/dbraw/zinc/20/83/15/819208315.db2.gz ZRNRASDBHOYWOG-GASCZTMLSA-N 1 0 297.446 3.088 20 10 CGCDRO C[C@@H]1CN(Cc2cccc(-c3ccccc3)c2O)C[C@H](C)[NH2+]1 ZINC001235900173 819210256 /nfs/dbraw/zinc/21/02/56/819210256.db2.gz ATSGFJXQGGBHJN-GASCZTMLSA-N 1 0 296.414 3.241 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(CN(C2CC2)C2C[NH2+]C2)cc1 ZINC001236063320 819296010 /nfs/dbraw/zinc/29/60/10/819296010.db2.gz UBQQELIEQUYXHY-UHFFFAOYSA-N 1 0 295.430 3.030 20 10 CGCDRO C[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(N)cc1 ZINC001236072364 819301198 /nfs/dbraw/zinc/30/11/98/819301198.db2.gz SNDMSQCRZFZAPX-ZDUSSCGKSA-N 1 0 252.361 3.216 20 10 CGCDRO Cc1c(CN(C2CC2)[C@@H]2CCC[NH2+]C2)c2ccccc2n1C ZINC001236239999 819400348 /nfs/dbraw/zinc/40/03/48/819400348.db2.gz NRXAHSYLMTZBTF-MRXNPFEDSA-N 1 0 297.446 3.203 20 10 CGCDRO CC(C)c1ccc(CN(C(C)C)[C@@H]2CCC[NH2+]C2)c(O)c1 ZINC001236470751 819491153 /nfs/dbraw/zinc/49/11/53/819491153.db2.gz ORCXPHJRQCKWMY-QGZVFWFLSA-N 1 0 290.451 3.478 20 10 CGCDRO CC(C)N(Cc1cc(C(C)(C)C)ccc1O)[C@@H]1CC[NH2+]C1 ZINC001236531416 819523841 /nfs/dbraw/zinc/52/38/41/819523841.db2.gz YLWIJFLQEWWLEI-MRXNPFEDSA-N 1 0 290.451 3.262 20 10 CGCDRO CCC[N@H+](Cc1cc(OC)c(OC)cc1O)[C@H](C)CC ZINC001236750465 819590703 /nfs/dbraw/zinc/59/07/03/819590703.db2.gz MXFKWTMPSMPFLF-GFCCVEGCSA-N 1 0 281.396 3.420 20 10 CGCDRO CCc1ccc(C[N@@H+]2CC[C@@](C)(CF)C2)c(O)c1 ZINC001236783609 819593870 /nfs/dbraw/zinc/59/38/70/819593870.db2.gz NECRFVQWHOAEGD-HNNXBMFYSA-N 1 0 251.345 3.136 20 10 CGCDRO CCc1ccc(C[NH+]2CCC(CCOC)CC2)c(O)c1 ZINC001236788526 819594716 /nfs/dbraw/zinc/59/47/16/819594716.db2.gz KRECKSNJZNQZGU-UHFFFAOYSA-N 1 0 277.408 3.203 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]2C)c(Cl)c1 ZINC001236801407 819599454 /nfs/dbraw/zinc/59/94/54/819599454.db2.gz CJLMLXYGIDCLCQ-VIFPVBQESA-N 1 0 255.745 3.039 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CCC3(CC3)C2)c(Cl)c1 ZINC001236798479 819600133 /nfs/dbraw/zinc/60/01/33/819600133.db2.gz OSNQRNZEWJVCBF-UHFFFAOYSA-N 1 0 267.756 3.040 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CC[C@@H](C(F)(F)F)C2)c(O)c1 ZINC001236811650 819603895 /nfs/dbraw/zinc/60/38/95/819603895.db2.gz USMYZAVVCTVVKE-SNVBAGLBSA-N 1 0 289.297 3.093 20 10 CGCDRO COc1cc(C)c(C[N@H+](C(C)C)C2CCOCC2)c(O)c1 ZINC001236816402 819606642 /nfs/dbraw/zinc/60/66/42/819606642.db2.gz UKOVOIGECGPQCT-UHFFFAOYSA-N 1 0 293.407 3.099 20 10 CGCDRO C[C@@H]1COCC[N@H+](Cc2cc3ccccc3cc2O)C1 ZINC001236826684 819609887 /nfs/dbraw/zinc/60/98/87/819609887.db2.gz LSFNWJOBEUNFNQ-ZDUSSCGKSA-N 1 0 271.360 3.014 20 10 CGCDRO COC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc2ccccc2cc1O ZINC001236827436 819609977 /nfs/dbraw/zinc/60/99/77/819609977.db2.gz RXIFARWYVDTASZ-INIZCTEOSA-N 1 0 299.370 3.073 20 10 CGCDRO C[C@H]1C[N@H+](Cc2cc3ccccc3cc2O)CCC[C@@H]1O ZINC001236826744 819610035 /nfs/dbraw/zinc/61/00/35/819610035.db2.gz MEDRKNNBZKOTDW-GUYCJALGSA-N 1 0 285.387 3.138 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2CCC[C@@](C)(O)[C@@H](C)C2)c(O)c1 ZINC001237047076 819650033 /nfs/dbraw/zinc/65/00/33/819650033.db2.gz ZTDCJHMIIFAWST-KBXCAEBGSA-N 1 0 291.435 3.499 20 10 CGCDRO CCOc1ccc(C[NH+]2CC3CCC(CC3)C2)c(O)c1 ZINC001237047413 819650337 /nfs/dbraw/zinc/65/03/37/819650337.db2.gz WZOSIWUUKWXROZ-UHFFFAOYSA-N 1 0 275.392 3.413 20 10 CGCDRO CCOc1ccc(C[N@@H+]2C[C@@H](C)CC23CC3)c(O)c1 ZINC001237045941 819650565 /nfs/dbraw/zinc/65/05/65/819650565.db2.gz KLNPQJKSGYTUAM-LBPRGKRZSA-N 1 0 261.365 3.165 20 10 CGCDRO CC(C)c1ccc(C[N@H+]2CCC(=O)[C@@H](C)CC2)c(O)c1 ZINC001237044862 819651084 /nfs/dbraw/zinc/65/10/84/819651084.db2.gz FBGKOWCNQGZZSQ-ZDUSSCGKSA-N 1 0 275.392 3.317 20 10 CGCDRO CCOc1ccc(C[N@H+](CC2CC2)C2CC2)c(O)c1 ZINC001237045924 819651180 /nfs/dbraw/zinc/65/11/80/819651180.db2.gz KJWABWIZJNLZKS-UHFFFAOYSA-N 1 0 261.365 3.165 20 10 CGCDRO CC(C)c1ccc(CN2CCC([NH+](C)C)CC2)c(O)c1 ZINC001237048719 819652335 /nfs/dbraw/zinc/65/23/35/819652335.db2.gz WBVCYRISALXEFZ-UHFFFAOYSA-N 1 0 276.424 3.042 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2C[C@@H]3CCCC(=O)[C@H]3C2)c(O)c1 ZINC001237050355 819652474 /nfs/dbraw/zinc/65/24/74/819652474.db2.gz AONBNDFSGJBCJA-HOCLYGCPSA-N 1 0 287.403 3.317 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2O)C1 ZINC001237054165 819655535 /nfs/dbraw/zinc/65/55/35/819655535.db2.gz VWVMYZRDBVZHKE-SNVBAGLBSA-N 1 0 289.297 3.175 20 10 CGCDRO CCN(CC[NH+](C)C)Cc1c(O)ccc(Cl)c1Cl ZINC001237078196 819662296 /nfs/dbraw/zinc/66/22/96/819662296.db2.gz PEFKBKPIUZZKIG-UHFFFAOYSA-N 1 0 291.222 3.083 20 10 CGCDRO C[C@@H]1CCC[N@@H+]1Cc1c(O)cccc1OC(F)(F)F ZINC001237110750 819669898 /nfs/dbraw/zinc/66/98/98/819669898.db2.gz JSQZYJLXHUTQIG-SECBINFHSA-N 1 0 275.270 3.275 20 10 CGCDRO CCCO[C@@H]1CC[N@H+](Cc2c(O)ccc(F)c2Cl)C1 ZINC001237125022 819672896 /nfs/dbraw/zinc/67/28/96/819672896.db2.gz QLKFJXZGQWPMQO-SNVBAGLBSA-N 1 0 287.762 3.186 20 10 CGCDRO Oc1ccc(F)c(Cl)c1C[N@@H+]1CC[C@H]2CCCO[C@@H]2C1 ZINC001237124949 819673717 /nfs/dbraw/zinc/67/37/17/819673717.db2.gz SWMBDEHYLXSBRO-QMTHXVAHSA-N 1 0 299.773 3.186 20 10 CGCDRO Oc1ccc(F)c(Cl)c1C[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC001237122834 819674111 /nfs/dbraw/zinc/67/41/11/819674111.db2.gz ZNSFHAZIGQEXOT-HZMBPMFUSA-N 1 0 299.773 3.186 20 10 CGCDRO CC[C@@H]1CC[N@H+](Cc2c(O)ccc(F)c2Cl)C1 ZINC001237128299 819675556 /nfs/dbraw/zinc/67/55/56/819675556.db2.gz ORZHLRLFTKXNHW-SECBINFHSA-N 1 0 257.736 3.417 20 10 CGCDRO C[N@H+](Cc1cc(C(F)(F)F)ccc1O)[C@H]1CCCOC1 ZINC001237144531 819678424 /nfs/dbraw/zinc/67/84/24/819678424.db2.gz RHDYFPKYQHLMKM-LBPRGKRZSA-N 1 0 289.297 3.022 20 10 CGCDRO Oc1ccc(Cl)cc1CN(C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC001237147794 819680100 /nfs/dbraw/zinc/68/01/00/819680100.db2.gz YFMZNFJVFYHRFR-OAHLLOKOSA-N 1 0 294.826 3.152 20 10 CGCDRO Cc1nc2c(s1)C[N@H+](Cc1c(C)cccc1O)CC2 ZINC001237488062 819762279 /nfs/dbraw/zinc/76/22/79/819762279.db2.gz QMRVSDHWLLAAHQ-UHFFFAOYSA-N 1 0 274.389 3.024 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC001237490572 819764440 /nfs/dbraw/zinc/76/44/40/819764440.db2.gz WLSURUQRGHIAAJ-HNNXBMFYSA-N 1 0 268.360 3.085 20 10 CGCDRO COc1cc(C[NH+]2CC3CCC(CC3)C2)c(O)c(OC)c1 ZINC001237677422 819803312 /nfs/dbraw/zinc/80/33/12/819803312.db2.gz BHMLLJNUSADAPP-UHFFFAOYSA-N 1 0 291.391 3.031 20 10 CGCDRO COc1cc(C[N@@H+]2CCCC[C@H](C)C2)c(O)c(OC)c1 ZINC001237675107 819803462 /nfs/dbraw/zinc/80/34/62/819803462.db2.gz UCLMCAGXEIBDCT-LBPRGKRZSA-N 1 0 279.380 3.031 20 10 CGCDRO COc1cc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)c(O)c(OC)c1 ZINC001237678630 819804226 /nfs/dbraw/zinc/80/42/26/819804226.db2.gz QGTLBCKFRQWWQF-DOMZBBRYSA-N 1 0 291.391 3.174 20 10 CGCDRO Cc1nc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)ccc1F ZINC001237819301 819851487 /nfs/dbraw/zinc/85/14/87/819851487.db2.gz CZXVVOPOVDZCCA-UHFFFAOYSA-N 1 0 287.382 3.227 20 10 CGCDRO Cc1cc(F)cc(C[N@@H+]2C[C@@H](C)C[C@H]2CF)c1O ZINC001238065214 819921599 /nfs/dbraw/zinc/92/15/99/819921599.db2.gz SGARNKZNVFGZGN-ZANVPECISA-N 1 0 255.308 3.020 20 10 CGCDRO CCC[N@H+](Cc1cc(F)cc(C)c1O)C1CCOCC1 ZINC001238068594 819923168 /nfs/dbraw/zinc/92/31/68/819923168.db2.gz VQBNKHIAWOSYPD-UHFFFAOYSA-N 1 0 281.371 3.231 20 10 CGCDRO Cc1cc(F)cc(C[N@H+](C)C[C@H]2CC2(C)C)c1O ZINC001238071378 819924212 /nfs/dbraw/zinc/92/42/12/819924212.db2.gz WAGREEOPLDVYGF-GFCCVEGCSA-N 1 0 251.345 3.318 20 10 CGCDRO CN(C)c1ccc(C2=CC[N@H+](C)CC2)c(C(F)(F)F)c1 ZINC001241322413 821731686 /nfs/dbraw/zinc/73/16/86/821731686.db2.gz NMIFUVPRJLCPDJ-UHFFFAOYSA-N 1 0 284.325 3.490 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2CCC[C@H](F)C2)cc1C ZINC001345932901 936830709 /nfs/dbraw/zinc/83/07/09/936830709.db2.gz ZXUBVSAYLTWUGL-KBPBESRZSA-N 1 0 251.345 3.374 20 10 CGCDRO C[N@H+](CC1=CCSC1)Cc1ccc(N2CCCC2)cc1 ZINC001347368367 936881387 /nfs/dbraw/zinc/88/13/87/936881387.db2.gz XHSAEWSELKRROG-UHFFFAOYSA-N 1 0 288.460 3.392 20 10 CGCDRO CC1(C)OCC[C@H]1C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001350141313 936980842 /nfs/dbraw/zinc/98/08/42/936980842.db2.gz AGPJPFJBCXSIKK-INIZCTEOSA-N 1 0 288.435 3.192 20 10 CGCDRO COc1ccc(O)c(C[NH2+]Cc2ccc(C)nc2Cl)c1 ZINC001353604497 937072344 /nfs/dbraw/zinc/07/23/44/937072344.db2.gz COKQMDSDGZCXHF-UHFFFAOYSA-N 1 0 292.766 3.047 20 10 CGCDRO COc1cccc(C[C@@H]2CCC[N@@H+]2Cc2ccc(N)cc2)c1 ZINC001356083551 937152894 /nfs/dbraw/zinc/15/28/94/937152894.db2.gz SFPGYIWTNKEBAZ-SFHVURJKSA-N 1 0 296.414 3.485 20 10 CGCDRO CC[NH+]1CCC(CN(C)c2ccc(OC)c(F)c2)CC1 ZINC001462071755 928773770 /nfs/dbraw/zinc/77/37/70/928773770.db2.gz YGWLHIGSEJZTSW-UHFFFAOYSA-N 1 0 280.387 3.002 20 10 CGCDRO CCOc1ccc(N2CC[NH+]([C@H](C)CC)CC2)cc1 ZINC001116928040 928883240 /nfs/dbraw/zinc/88/32/40/928883240.db2.gz IDEBPGYCNGASRD-CQSZACIVSA-N 1 0 262.397 3.006 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@@H](C)COCC)cc1C ZINC001461451265 937581980 /nfs/dbraw/zinc/58/19/80/937581980.db2.gz UWIQVKKVJHRVJZ-AWEZNQCLSA-N 1 0 265.397 3.298 20 10 CGCDRO CC(C)(C)CC[C@@H](CO)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001461464152 937582576 /nfs/dbraw/zinc/58/25/76/937582576.db2.gz QWUVPTGHMFDAFH-INIZCTEOSA-N 1 0 291.435 3.288 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H]2C[C@@H]3CCC[C@H]23)cc1F ZINC001461811205 937598814 /nfs/dbraw/zinc/59/88/14/937598814.db2.gz NHXUNQKPXQIIJE-KCQAQPDRSA-N 1 0 262.372 3.170 20 10 CGCDRO CC(C)c1ccc(O)c(C[N@H+](C)Cc2cccn2C)c1 ZINC001461937881 937607409 /nfs/dbraw/zinc/60/74/09/937607409.db2.gz UTYBWDGOKMFKJV-UHFFFAOYSA-N 1 0 272.392 3.486 20 10 CGCDRO COc1cc(C)c(C[N@H+](C)Cc2ccoc2C)c(O)c1 ZINC001461953570 937608363 /nfs/dbraw/zinc/60/83/63/937608363.db2.gz GIOUDQHOZGJGGT-UHFFFAOYSA-N 1 0 275.348 3.243 20 10 CGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CCO[C@H](C)[C@@H]2C)c1 ZINC001461960005 937608972 /nfs/dbraw/zinc/60/89/72/937608972.db2.gz LYIJTYDPVMULHW-QWHCGFSZSA-N 1 0 263.381 3.125 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+][C@@H](C)c2ccn(C)n2)c1 ZINC001462334337 937633323 /nfs/dbraw/zinc/63/33/23/937633323.db2.gz NHZFYSRGNHXXKO-LBPRGKRZSA-N 1 0 273.380 3.100 20 10 CGCDRO Oc1cc(Cl)ccc1C[NH2+][C@H]1CCCN2CCCC[C@H]12 ZINC001462387439 937637455 /nfs/dbraw/zinc/63/74/55/937637455.db2.gz PPQVIXQHILDKAE-LSDHHAIUSA-N 1 0 294.826 3.152 20 10 CGCDRO COc1cc(C)c(C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)c(O)c1 ZINC001462450278 937642622 /nfs/dbraw/zinc/64/26/22/937642622.db2.gz ATFWGFVLWYXNSW-MCIONIFRSA-N 1 0 275.392 3.235 20 10 CGCDRO COC[C@@H](C[NH2+]Cc1cc(Cl)c(C)cc1O)C(C)C ZINC001462604001 937653188 /nfs/dbraw/zinc/65/31/88/937653188.db2.gz KJPRJGMBPFMZFV-CYBMUJFWSA-N 1 0 285.815 3.362 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@H](C)Cn2cccn2)cc1C ZINC001308196068 933071217 /nfs/dbraw/zinc/07/12/17/933071217.db2.gz ASFKDHLTLNUZOS-OAHLLOKOSA-N 1 0 287.407 3.159 20 10 CGCDRO c1cc2c(cc1C[NH2+][C@]13C[C@H]1CCCC3)CCCO2 ZINC001308489053 933118582 /nfs/dbraw/zinc/11/85/82/933118582.db2.gz MYYGMUQIJVEQAD-NVXWUHKLSA-N 1 0 257.377 3.434 20 10 CGCDRO CC[C@@H]1CC[N@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC001308585495 933137689 /nfs/dbraw/zinc/13/76/89/933137689.db2.gz ZXYKLFVLCWPLEY-LLYBFZRZSA-N 1 0 258.409 3.498 20 10 CGCDRO CCC[C@H](CN(CCC)c1ccc(C[NH3+])cc1)OC ZINC001308740567 933168716 /nfs/dbraw/zinc/16/87/16/933168716.db2.gz QUWRQXPRDSIHKH-MRXNPFEDSA-N 1 0 264.413 3.177 20 10 CGCDRO Oc1cc(Cl)ccc1C[N@@H+]1CCSC[C@H]1C1CC1 ZINC001308776405 933175554 /nfs/dbraw/zinc/17/55/54/933175554.db2.gz YDLJAAIUEINZEH-ZDUSSCGKSA-N 1 0 283.824 3.373 20 10 CGCDRO CO[C@](C)([C@@H](C)[NH2+]Cc1ccc(Cl)cc1O)C1CC1 ZINC001308821538 933184755 /nfs/dbraw/zinc/18/47/55/933184755.db2.gz SEZOZUCWZQTIOK-MEBBXXQBSA-N 1 0 283.799 3.339 20 10 CGCDRO Cc1nc(F)ccc1C[NH2+]Cc1cc(Cl)ccc1O ZINC001308846974 933189181 /nfs/dbraw/zinc/18/91/81/933189181.db2.gz YOSXPJDDAORTEB-UHFFFAOYSA-N 1 0 280.730 3.178 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@H]2N(C)C)c(O)c1 ZINC001321025064 934136053 /nfs/dbraw/zinc/13/60/53/934136053.db2.gz XIGLVQLCZLANDT-CWRNSKLLSA-N 1 0 276.424 3.224 20 10 CGCDRO CCN(C)c1ccc(C[NH2+][C@@H](C)c2cnn(C)c2C)cc1 ZINC001322120825 934248169 /nfs/dbraw/zinc/24/81/69/934248169.db2.gz FJLHHRQSXHYCON-ZDUSSCGKSA-N 1 0 286.423 3.035 20 10 CGCDRO CC(C)[C@]1(CO)CC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC001324555896 934523245 /nfs/dbraw/zinc/52/32/45/934523245.db2.gz YBYQUUAYKCLKLR-LJQANCHMSA-N 1 0 299.414 3.386 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@]2(CO)CCCC(C)(C)C2)cc1 ZINC001473652947 937815744 /nfs/dbraw/zinc/81/57/44/937815744.db2.gz BSGZXLKEKGTRKM-GOSISDBHSA-N 1 0 290.451 3.174 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)cc1 ZINC001327830121 935086982 /nfs/dbraw/zinc/08/69/82/935086982.db2.gz IFNUYHDENWGBMZ-YUELXQCFSA-N 1 0 280.362 3.276 20 10 CGCDRO CS[C@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001327953022 935101864 /nfs/dbraw/zinc/10/18/64/935101864.db2.gz SKZPDBTUBFNLCV-INIZCTEOSA-N 1 0 276.449 3.224 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)c1O ZINC001328158556 935121591 /nfs/dbraw/zinc/12/15/91/935121591.db2.gz IXNORPYKHXPTAE-UPJWGTAASA-N 1 0 297.345 3.314 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]Cc1ccc[nH]c1=O ZINC001328718445 935162964 /nfs/dbraw/zinc/16/29/64/935162964.db2.gz KTRFSQZARFILNO-DGCLKSJQSA-N 1 0 284.359 3.139 20 10 CGCDRO Cc1cc(O)c(C[NH2+]Cc2ccc(CO)cc2)cc1Cl ZINC001328761054 935167954 /nfs/dbraw/zinc/16/79/54/935167954.db2.gz AOWBUOLWVIWYTC-UHFFFAOYSA-N 1 0 291.778 3.136 20 10 CGCDRO CCc1cccc(C[N@H+](Cc2ccccc2)[C@H](C)CO)c1O ZINC001329169548 935193313 /nfs/dbraw/zinc/19/33/13/935193313.db2.gz QDAQJOCZDUQKMP-OAHLLOKOSA-N 1 0 299.414 3.338 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCC2CCOCC2)c(Cl)c1 ZINC001331382222 935375095 /nfs/dbraw/zinc/37/50/95/935375095.db2.gz FUZNQHNUYABTBL-UHFFFAOYSA-N 1 0 283.799 3.260 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@H](c3nccs3)C2)c1 ZINC001332152735 935444120 /nfs/dbraw/zinc/44/41/20/935444120.db2.gz XANUPQKDMLOQSP-ZDUSSCGKSA-N 1 0 288.416 3.455 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@H](CO)CC1CC1 ZINC001333325870 935526028 /nfs/dbraw/zinc/52/60/28/935526028.db2.gz IDWZCSRTIQUXRS-YUELXQCFSA-N 1 0 289.419 3.247 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)c1O ZINC001333321996 935526060 /nfs/dbraw/zinc/52/60/60/935526060.db2.gz NXQNSZNERBEHSS-JULQROHOSA-N 1 0 297.345 3.485 20 10 CGCDRO C[C@]1(C[NH2+]Cc2ccc(N3CCCC3)cc2)CCCCO1 ZINC001334330690 936097585 /nfs/dbraw/zinc/09/75/85/936097585.db2.gz QAKTWCUHEZSDMN-GOSISDBHSA-N 1 0 288.435 3.336 20 10 CGCDRO Nc1ccc(C[N@@H+]2CCC[C@H]2Cc2ccccc2)cc1 ZINC001334775437 936112899 /nfs/dbraw/zinc/11/28/99/936112899.db2.gz XWJYMOTUXJJBLH-SFHVURJKSA-N 1 0 266.388 3.476 20 10 CGCDRO Nc1ccc(C[N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)cc1 ZINC001336117457 936176957 /nfs/dbraw/zinc/17/69/57/936176957.db2.gz NLUKLTFPUZYFRZ-KRWDZBQOSA-N 1 0 286.350 3.061 20 10 CGCDRO CCC[C@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001337041762 936233964 /nfs/dbraw/zinc/23/39/64/936233964.db2.gz CBPMNMNFOOYXAN-SFHVURJKSA-N 1 0 288.435 3.288 20 10 CGCDRO CC(C)[C@H]1C[N@H+](Cc2ccc(Cl)cc2O)CCCO1 ZINC001474551800 937866127 /nfs/dbraw/zinc/86/61/27/937866127.db2.gz UDQGYCCWVVPSMS-OAHLLOKOSA-N 1 0 283.799 3.293 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2O)CS1 ZINC001474581313 937868229 /nfs/dbraw/zinc/86/82/29/937868229.db2.gz QUSUWQCPEOEILI-KCJUWKMLSA-N 1 0 257.786 3.029 20 10 CGCDRO CC(C)C1(O)CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001474749758 937878753 /nfs/dbraw/zinc/87/87/53/937878753.db2.gz QONULHFLDWPBRM-UHFFFAOYSA-N 1 0 283.799 3.029 20 10 CGCDRO C[C@H]([NH2+]CCN1C[C@H](C)C[C@@H](C)C1)c1ccccc1O ZINC001560074854 938243149 /nfs/dbraw/zinc/24/31/49/938243149.db2.gz ITEMGFHTJRGIDZ-KFWWJZLASA-N 1 0 276.424 3.021 20 10 CGCDRO CCCn1cncc1C[NH2+]CCCSc1nccs1 ZINC001560348691 938254232 /nfs/dbraw/zinc/25/42/32/938254232.db2.gz JTBPSQDRXQREFL-UHFFFAOYSA-N 1 0 296.465 3.022 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@@H]2CC[C@@H](OC)C2)cc1C ZINC001560441328 938258672 /nfs/dbraw/zinc/25/86/72/938258672.db2.gz YEGQEGCWDYJULT-HZPDHXFCSA-N 1 0 277.408 3.441 20 10 CGCDRO COc1ccc(C[NH2+]CCCC2CC2)cc1Cn1cccn1 ZINC001560517371 938261289 /nfs/dbraw/zinc/26/12/89/938261289.db2.gz KOFGTWOGMAASDQ-UHFFFAOYSA-N 1 0 299.418 3.220 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH+]1CC(C)(C)OC(C)(C)C1 ZINC001560762720 938274513 /nfs/dbraw/zinc/27/45/13/938274513.db2.gz YWAXBGSIKKKWCS-UHFFFAOYSA-N 1 0 290.451 3.450 20 10 CGCDRO COc1cccc(C[NH2+]Cc2ccc(F)c(F)c2F)c1O ZINC001560811113 938277175 /nfs/dbraw/zinc/27/71/75/938277175.db2.gz YVINPYJDJDTYCA-UHFFFAOYSA-N 1 0 297.276 3.108 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1C[C@H](OC(C)(C)C)C1 ZINC001560908854 938283197 /nfs/dbraw/zinc/28/31/97/938283197.db2.gz CRHODZFKQXVLLI-JCNLHEQBSA-N 1 0 290.451 3.497 20 10 CGCDRO C=C/C=C/CC[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001461723648 960502526 /nfs/dbraw/zinc/50/25/26/960502526.db2.gz SZXHPLWMFQDKFI-AATRIKPKSA-N 1 0 266.335 3.253 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C[C@@]2(C)CC2(C)C)cc1F ZINC001560573297 960609163 /nfs/dbraw/zinc/60/91/63/960609163.db2.gz QKTCPPIJWPZRLQ-MRXNPFEDSA-N 1 0 264.388 3.418 20 10 CGCDRO Cc1ccc(C)c(N(C)C(=O)c2cccc3c2CC[NH2+]C3)c1 ZINC001579673230 962651579 /nfs/dbraw/zinc/65/15/79/962651579.db2.gz ZPKMHWNSFJESOK-UHFFFAOYSA-N 1 0 294.398 3.226 20 10 CGCDRO Cc1nn(C(C)(C)C)c(C)c1C[NH2+]Cc1ccc(N)cc1 ZINC001579887378 962678100 /nfs/dbraw/zinc/67/81/00/962678100.db2.gz DDSGNBCFSZAPBT-UHFFFAOYSA-N 1 0 286.423 3.127 20 10 CGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@H](O)c1ccccc1 ZINC000068973702 345368936 /nfs/dbraw/zinc/36/89/36/345368936.db2.gz WCFLYYPECIUZNI-SFHVURJKSA-N 1 0 285.387 3.338 20 10 CGCDRO Cc1cnccc1CC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000090847080 345796486 /nfs/dbraw/zinc/79/64/86/345796486.db2.gz NSNCMWNXGAYFMD-OAHLLOKOSA-N 1 0 283.419 3.349 20 10 CGCDRO CCOc1cccc(C[N@H+](C)C2CCC(OC)CC2)c1O ZINC000093414966 345877598 /nfs/dbraw/zinc/87/75/98/345877598.db2.gz YQSFKFNAEFVJNY-UHFFFAOYSA-N 1 0 293.407 3.180 20 10 CGCDRO CS[C@H]1CC[C@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000381540227 799381961 /nfs/dbraw/zinc/38/19/61/799381961.db2.gz HKCGLTNZXXEKQI-PWSUYJOCSA-N 1 0 257.786 3.029 20 10 CGCDRO CCC[N@H+](Cc1c(C)n[nH]c1C)Cc1ccccc1O ZINC000124045283 370918419 /nfs/dbraw/zinc/91/84/19/370918419.db2.gz HZIGLICZZIQKAY-UHFFFAOYSA-N 1 0 273.380 3.144 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(F)cc2)c1 ZINC000019943852 368787690 /nfs/dbraw/zinc/78/76/90/368787690.db2.gz ZKBJXQKREMFEEH-LLVKDONJSA-N 1 0 275.323 3.391 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000093505983 370137601 /nfs/dbraw/zinc/13/76/01/370137601.db2.gz BZOSRLXSFJAAGB-IAQYHMDHSA-N 1 0 281.783 3.047 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 ZINC000134784193 371364800 /nfs/dbraw/zinc/36/48/00/371364800.db2.gz WWPUIRQYOUODPK-GFOFROLCSA-N 1 0 287.403 3.309 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H](C)[C@@H](O)c2ccccc2)cc1C ZINC000288671358 371743858 /nfs/dbraw/zinc/74/38/58/371743858.db2.gz WLCFKVYKVQBSDF-RDTXWAMCSA-N 1 0 285.387 3.221 20 10 CGCDRO CC[C@H]([NH2+]CCCOC1CCOCC1)c1ccccc1O ZINC000156657041 371989951 /nfs/dbraw/zinc/98/99/51/371989951.db2.gz IWBHCYXZUGHHQN-INIZCTEOSA-N 1 0 293.407 3.019 20 10 CGCDRO C[C@@H](CO)C[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000293623003 372426857 /nfs/dbraw/zinc/42/68/57/372426857.db2.gz HCQUCGHUNJNZSE-CRAIPNDOSA-N 1 0 299.414 3.284 20 10 CGCDRO Cc1cc(C[N@H+](C)CCc2ccncc2)ccc1N(C)C ZINC000293894257 372516482 /nfs/dbraw/zinc/51/64/82/372516482.db2.gz VKGIAPALKDZIPY-UHFFFAOYSA-N 1 0 283.419 3.131 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)cc1C ZINC000294214127 372616161 /nfs/dbraw/zinc/61/61/61/372616161.db2.gz YKHPQESGYKTVMH-MSOLQXFVSA-N 1 0 287.403 3.152 20 10 CGCDRO CC[C@@H](CSC)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000168862682 372620687 /nfs/dbraw/zinc/62/06/87/372620687.db2.gz BYDBDKGRPORQTP-KOLCDFICSA-N 1 0 257.374 3.324 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1CSCCS1)c1cc(F)ccc1O ZINC000168820413 372621791 /nfs/dbraw/zinc/62/17/91/372621791.db2.gz IPBQKVKLBGKYBP-ONGXEEELSA-N 1 0 287.425 3.031 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1CSCCS1)c1cc(F)ccc1O ZINC000168820235 372621900 /nfs/dbraw/zinc/62/19/00/372621900.db2.gz IPBQKVKLBGKYBP-GXSJLCMTSA-N 1 0 287.425 3.031 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CCc3nccn3C2)c(O)c1 ZINC000294436773 372654967 /nfs/dbraw/zinc/65/49/67/372654967.db2.gz VBIGSIBCWOODKL-HUUCEWRRSA-N 1 0 299.418 3.119 20 10 CGCDRO CO[C@@H]1CC[N@H+](Cc2ccc(N(C)C)c(F)c2)CC1(C)C ZINC000295141443 372696763 /nfs/dbraw/zinc/69/67/63/372696763.db2.gz ZWCKEJMWFYITQO-MRXNPFEDSA-N 1 0 294.414 3.139 20 10 CGCDRO Cc1cc(O)c(CN2CC(C)(C)[C@H]2c2nccn2C)cc1C ZINC000294814263 372672446 /nfs/dbraw/zinc/67/24/46/372672446.db2.gz OFRXGMRWVSOWFP-MRXNPFEDSA-N 1 0 299.418 3.326 20 10 CGCDRO Cc1cc(O)c(C[N@@H+](C)[C@@H](CO)c2ccccc2)cc1C ZINC000295126057 372693586 /nfs/dbraw/zinc/69/35/86/372693586.db2.gz XHULZRRZLWOKBA-KRWDZBQOSA-N 1 0 285.387 3.174 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H]2C[C@@H](C)Oc3ccccc32)c1 ZINC000295140998 372695648 /nfs/dbraw/zinc/69/56/48/372695648.db2.gz ZRZRZTIXEBEAIR-MLGOLLRUSA-N 1 0 299.370 3.403 20 10 CGCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@H]1C=CCCC1 ZINC000172188581 372923001 /nfs/dbraw/zinc/92/30/01/372923001.db2.gz YONRQVOTSQBVGM-KRWDZBQOSA-N 1 0 286.419 3.064 20 10 CGCDRO COc1ccc(OC)c(C[NH2+][C@H]2CCc3cccc(O)c32)c1 ZINC000296078306 373015109 /nfs/dbraw/zinc/01/51/09/373015109.db2.gz SLRXBNFGGURVAJ-HNNXBMFYSA-N 1 0 299.370 3.187 20 10 CGCDRO CCn1ccnc1C[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000296251900 373068647 /nfs/dbraw/zinc/06/86/47/373068647.db2.gz CXIGFLXMZRKTMK-CYBMUJFWSA-N 1 0 299.418 3.338 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCC(C)(C)CO)cc1 ZINC000296404619 373122283 /nfs/dbraw/zinc/12/22/83/373122283.db2.gz KRELBGNPWUTEGU-AWEZNQCLSA-N 1 0 278.440 3.202 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)CC(C)(C)O)c1cc(Cl)ccc1O ZINC000296653798 373208731 /nfs/dbraw/zinc/20/87/31/373208731.db2.gz ZCHMADLPBSYMOO-VHSXEESVSA-N 1 0 271.788 3.246 20 10 CGCDRO CCC1(C[NH2+][C@@H]2CCc3cccc(O)c32)CCOCC1 ZINC000297581296 373273235 /nfs/dbraw/zinc/27/32/35/373273235.db2.gz HEEBQABYAWIEDQ-CQSZACIVSA-N 1 0 275.392 3.176 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]CC1(O)CCCCCC1)CC2 ZINC000297513965 373273316 /nfs/dbraw/zinc/27/33/16/373273316.db2.gz CTLHYOIIKSTJDA-AWEZNQCLSA-N 1 0 275.392 3.054 20 10 CGCDRO COc1ccc(F)cc1C[NH2+][C@@H](C)c1ccccc1O ZINC000179890348 373935111 /nfs/dbraw/zinc/93/51/11/373935111.db2.gz MYXDEABVUWCWFL-NSHDSACASA-N 1 0 275.323 3.391 20 10 CGCDRO COc1ccc(O)c(C[N@H+](C)C[C@@H](C)c2nccs2)c1 ZINC000183254795 374394235 /nfs/dbraw/zinc/39/42/35/374394235.db2.gz OXCTUGRVYRXDPK-LLVKDONJSA-N 1 0 292.404 3.093 20 10 CGCDRO COc1ccc(C[N@H+](C)Cc2cccc(C)c2O)cc1 ZINC000183508791 374422297 /nfs/dbraw/zinc/42/22/97/374422297.db2.gz WJHMMDGUAJEACM-UHFFFAOYSA-N 1 0 271.360 3.341 20 10 CGCDRO CCCC[C@H](COC)[NH2+][C@@H](C)c1ccccc1O ZINC000183520878 374422875 /nfs/dbraw/zinc/42/28/75/374422875.db2.gz DRBVWIWGACHQMV-QWHCGFSZSA-N 1 0 251.370 3.248 20 10 CGCDRO C[C@H]([NH2+]C[C@](C)(O)c1ccsc1)c1ccccc1O ZINC000183526778 374424588 /nfs/dbraw/zinc/42/45/88/374424588.db2.gz VZELVGOSOPTCKP-NHYWBVRUSA-N 1 0 277.389 3.012 20 10 CGCDRO CC[C@@](C)(O)C[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000185389656 374654328 /nfs/dbraw/zinc/65/43/28/374654328.db2.gz PNGYWYZTYCWGPI-SJKOYZFVSA-N 1 0 277.408 3.083 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2CCCC[C@@H]2O)cc1 ZINC000187884387 375111565 /nfs/dbraw/zinc/11/15/65/375111565.db2.gz RLPYRHXEGDZJNN-COXVUDFISA-N 1 0 276.424 3.097 20 10 CGCDRO CO[C@@H](C)[C@H](C)[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000191644380 375648353 /nfs/dbraw/zinc/64/83/53/375648353.db2.gz DWTGPLRIPKOTSY-XQQFMLRXSA-N 1 0 277.408 3.345 20 10 CGCDRO Cc1cccc(C[C@H](CO)[NH2+][C@@H](C)c2ccc(C)cc2O)c1 ZINC000191596224 375642456 /nfs/dbraw/zinc/64/24/56/375642456.db2.gz BAXWUCXAYLZAAV-DOTOQJQBSA-N 1 0 299.414 3.263 20 10 CGCDRO C[C@H]([NH2+]CCC[NH+](C)C)c1cc(Cl)c(Cl)cc1[O-] ZINC000192593139 375767748 /nfs/dbraw/zinc/76/77/48/375767748.db2.gz YXOKSTZDQNYKAP-VIFPVBQESA-N 1 0 291.222 3.301 20 10 CGCDRO COc1cc(O)c(C[NH2+]CC[C@@H]2CC=CCC2)cc1OC ZINC000529667059 375933440 /nfs/dbraw/zinc/93/34/40/375933440.db2.gz TXAYFALWENZQJQ-CYBMUJFWSA-N 1 0 291.391 3.245 20 10 CGCDRO CC(C)[NH+]1CCC(N(C)Cc2c(O)cccc2Cl)CC1 ZINC000271049349 378440185 /nfs/dbraw/zinc/44/01/85/378440185.db2.gz UOCBODDLGJMOGQ-UHFFFAOYSA-N 1 0 296.842 3.350 20 10 CGCDRO Oc1ccccc1C[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000271290876 378488843 /nfs/dbraw/zinc/48/88/43/378488843.db2.gz QDSKPNPMSGTYDE-LJQANCHMSA-N 1 0 297.398 3.338 20 10 CGCDRO C[C@H]([NH2+]CCOc1ccccc1F)c1ccccc1O ZINC000271639946 378499011 /nfs/dbraw/zinc/49/90/11/378499011.db2.gz GTTBHZSQZFDIJY-LBPRGKRZSA-N 1 0 275.323 3.261 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H](O)c1ccc(C)cc1)c1ccccc1O ZINC000271757022 378502393 /nfs/dbraw/zinc/50/23/93/378502393.db2.gz YZDNHZVCZLIWQU-AEFFLSMTSA-N 1 0 285.387 3.475 20 10 CGCDRO Cc1cccc(C[NH2+][C@H](C)[C@H](O)c2cccc(F)c2)c1O ZINC000271798535 378503940 /nfs/dbraw/zinc/50/39/40/378503940.db2.gz INFYZSFCMXZOFD-PXAZEXFGSA-N 1 0 289.350 3.051 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@H]2CCO[C@H](CC(C)C)C2)c1 ZINC000272134593 378570032 /nfs/dbraw/zinc/57/00/32/378570032.db2.gz NMIHAPOWDOEOOM-GOEBONIOSA-N 1 0 293.407 3.084 20 10 CGCDRO CCCOc1ccc(C[NH+]2CCC(C)(OC)CC2)c(O)c1 ZINC000272377268 378624129 /nfs/dbraw/zinc/62/41/29/378624129.db2.gz QOVMYFPPBIYPEU-UHFFFAOYSA-N 1 0 293.407 3.182 20 10 CGCDRO CC(C)[C@H]1C[C@@H]([NH2+][C@@H](C)c2cc(F)ccc2O)CCO1 ZINC000273354379 378742461 /nfs/dbraw/zinc/74/24/61/378742461.db2.gz CHIVCOPXFDRKBH-DETPVDSQSA-N 1 0 281.371 3.386 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCc2ccncc2)c(O)c1C ZINC000273623019 378757584 /nfs/dbraw/zinc/75/75/84/378757584.db2.gz ZQCOFGCOWJYPIE-AWEZNQCLSA-N 1 0 270.376 3.297 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](CO)c2ccc(F)cc2)c1 ZINC000273452818 378747491 /nfs/dbraw/zinc/74/74/91/378747491.db2.gz GJIUOJATZQSXIL-BLLLJJGKSA-N 1 0 289.350 3.224 20 10 CGCDRO C[C@@H]([NH2+]CCC[C@H](C)CO)c1cc2c(cc1O)CCCC2 ZINC000273475356 378748393 /nfs/dbraw/zinc/74/83/93/378748393.db2.gz KONAIGDVVUETPS-UONOGXRCSA-N 1 0 291.435 3.330 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)[C@H]2CCCCO2)c1 ZINC000273460517 378748522 /nfs/dbraw/zinc/74/85/22/378748522.db2.gz IBQOZGUKZZQMLU-WOSRLPQWSA-N 1 0 263.381 3.309 20 10 CGCDRO CCc1nnc([C@H](C)[NH2+][C@H](C)c2ccc(C)c(C)c2O)[nH]1 ZINC000273505234 378750380 /nfs/dbraw/zinc/75/03/80/378750380.db2.gz QXLRCLZIJXVCTG-NEPJUHHUSA-N 1 0 288.395 3.101 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCc3c2cccc3O)c1 ZINC000273550377 378752309 /nfs/dbraw/zinc/75/23/09/378752309.db2.gz FSTWKNWXNFDTDV-ZBEGNZNMSA-N 1 0 299.370 3.445 20 10 CGCDRO Oc1ccccc1C[NH2+]C1CCC(O)(c2ccccc2)CC1 ZINC000273689180 378758140 /nfs/dbraw/zinc/75/81/40/378758140.db2.gz HMOQIFXFHWPXQV-UHFFFAOYSA-N 1 0 297.398 3.312 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](C)C[C@@H](C)O)c(O)c1C ZINC000273615567 378755806 /nfs/dbraw/zinc/75/58/06/378755806.db2.gz XDWOZUDRTPZQDL-SUHUHFCYSA-N 1 0 265.397 3.067 20 10 CGCDRO CC(C)[C@@H](CCO)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000273596463 378756485 /nfs/dbraw/zinc/75/64/85/378756485.db2.gz QVNKDWYDAFBCEW-GXFFZTMASA-N 1 0 271.788 3.103 20 10 CGCDRO CO[C@H](C[NH2+][C@@H](C)c1ccc(C)cc1O)C(C)C ZINC000273597436 378756685 /nfs/dbraw/zinc/75/66/85/378756685.db2.gz RAHXEPYBBQGJGR-SWLSCSKDSA-N 1 0 251.370 3.022 20 10 CGCDRO Cc1nnc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)cc2O)s1 ZINC000274122033 378780101 /nfs/dbraw/zinc/78/01/01/378780101.db2.gz AUEXTJBDHWPSKA-VHSXEESVSA-N 1 0 277.393 3.272 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]C1CCC2(CCOCC2)CC1 ZINC000371496009 379165264 /nfs/dbraw/zinc/16/52/64/379165264.db2.gz GYHPKSLHPSNZFW-UHFFFAOYSA-N 1 0 293.382 3.360 20 10 CGCDRO CSCCC[N@H+](C)Cc1c(O)cccc1Cl ZINC000281291559 379828518 /nfs/dbraw/zinc/82/85/18/379828518.db2.gz PCPUQSSMNRQTIT-UHFFFAOYSA-N 1 0 259.802 3.231 20 10 CGCDRO CCCC[N@@H+](Cc1ccccc1O)CC1CCOCC1 ZINC000282467352 379926944 /nfs/dbraw/zinc/92/69/44/379926944.db2.gz NMFZOQRLOZEDIV-UHFFFAOYSA-N 1 0 277.408 3.421 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2CCO[C@H](C)C2)c(O)c1 ZINC000285098768 380145494 /nfs/dbraw/zinc/14/54/94/380145494.db2.gz KEBXUFYBEOQNFB-ILXRZTDVSA-N 1 0 277.408 3.475 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]CC2(C)CCOCC2)c(O)c1 ZINC000285219826 380145585 /nfs/dbraw/zinc/14/55/85/380145585.db2.gz OVTIFNIVWOAHRF-AWEZNQCLSA-N 1 0 277.408 3.476 20 10 CGCDRO Oc1ccccc1C[N@H+](CCCCF)C[C@@H]1CCCO1 ZINC000285479089 380147067 /nfs/dbraw/zinc/14/70/67/380147067.db2.gz CMTAFHHTFGXWDV-HNNXBMFYSA-N 1 0 281.371 3.123 20 10 CGCDRO Oc1ccccc1C[N@H+](CCCCF)C[C@H]1CCCO1 ZINC000285479092 380148212 /nfs/dbraw/zinc/14/82/12/380148212.db2.gz CMTAFHHTFGXWDV-OAHLLOKOSA-N 1 0 281.371 3.123 20 10 CGCDRO CCOC(CC[NH2+][C@H](C)c1c(C)cc(C)cc1O)OCC ZINC000285334026 380148734 /nfs/dbraw/zinc/14/87/34/380148734.db2.gz UKDUJXWPYUPDKI-CQSZACIVSA-N 1 0 295.423 3.449 20 10 CGCDRO Cc1cccc(CCC[NH2+]Cc2ccc3c(c2)CCO3)n1 ZINC000285524414 380150176 /nfs/dbraw/zinc/15/01/76/380150176.db2.gz KLXQSUBABIIYFN-UHFFFAOYSA-N 1 0 282.387 3.047 20 10 CGCDRO Cc1c2ccccc2n(C)c1CNc1cc[nH+]cc1C ZINC000359830694 381371709 /nfs/dbraw/zinc/37/17/09/381371709.db2.gz KRDCPFDIRGLLMD-UHFFFAOYSA-N 1 0 265.360 3.224 20 10 CGCDRO [O-]c1c(Cl)cccc1C[NH+]1CCC(n2cccn2)CC1 ZINC000360466899 381551477 /nfs/dbraw/zinc/55/14/77/381551477.db2.gz OUZBLURHDWDQBF-UHFFFAOYSA-N 1 0 291.782 3.079 20 10 CGCDRO CCCC[N@H+](CCOC)Cc1cccc(OCC)c1O ZINC000093323023 392238120 /nfs/dbraw/zinc/23/81/20/392238120.db2.gz ARPRZJKKJCZEKQ-UHFFFAOYSA-N 1 0 281.396 3.039 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@](C)(OC)C1CC1)c1ccccc1O ZINC000291226141 392458061 /nfs/dbraw/zinc/45/80/61/392458061.db2.gz NUHWIMYASPPBJW-GDBMZVCRSA-N 1 0 263.381 3.248 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCc2cccnc2)cc1 ZINC000133473743 392464048 /nfs/dbraw/zinc/46/40/48/392464048.db2.gz BACNPPJYXBDQBK-HNNXBMFYSA-N 1 0 283.419 3.431 20 10 CGCDRO CCOC[C@H]1CC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000177635257 392664900 /nfs/dbraw/zinc/66/49/00/392664900.db2.gz RURRPKIPAIPCMH-AWEZNQCLSA-N 1 0 285.387 3.404 20 10 CGCDRO COCCC[C@@H](C)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000177975295 392670316 /nfs/dbraw/zinc/67/03/16/392670316.db2.gz ACGIEKSAUVJMRJ-OAHLLOKOSA-N 1 0 276.424 3.192 20 10 CGCDRO CC[N@H+](Cc1ccncc1)Cc1ccc(N(C)C)cc1 ZINC000006246566 170185341 /nfs/dbraw/zinc/18/53/41/170185341.db2.gz PUQQYLDVGCWIGP-UHFFFAOYSA-N 1 0 269.392 3.170 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc3c(c2)OCO3)c(O)c1 ZINC000020124476 171007266 /nfs/dbraw/zinc/00/72/66/171007266.db2.gz OMSZKTVJDRJJQY-LBPRGKRZSA-N 1 0 285.343 3.280 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc3c(c2)OCO3)c1 ZINC000035628791 172308249 /nfs/dbraw/zinc/30/82/49/172308249.db2.gz AYYHRUSAGLFPLD-GFCCVEGCSA-N 1 0 285.343 3.280 20 10 CGCDRO Nc1cccc2c1CC[N@H+](Cc1cc(Cl)ccc1O)C2 ZINC000038032514 174028626 /nfs/dbraw/zinc/02/86/26/174028626.db2.gz OTNSHVSLSHTMEQ-UHFFFAOYSA-N 1 0 288.778 3.186 20 10 CGCDRO Cc1ncsc1C[NH2+]Cc1cc(Cl)ccc1O ZINC000071212498 176084465 /nfs/dbraw/zinc/08/44/65/176084465.db2.gz DVLRXXAUWVGBPH-UHFFFAOYSA-N 1 0 268.769 3.100 20 10 CGCDRO CC[C@@H]([NH2+]CCCNc1ccccn1)c1ccccc1O ZINC000156267301 261118240 /nfs/dbraw/zinc/11/82/40/261118240.db2.gz KLHHACKGTIDGFO-OAHLLOKOSA-N 1 0 285.391 3.330 20 10 CGCDRO COC[C@H](C)[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000157521158 261147885 /nfs/dbraw/zinc/14/78/85/261147885.db2.gz WGHOYCPJGMQVPG-HNNXBMFYSA-N 1 0 276.424 3.047 20 10 CGCDRO CC[C@H]([NH2+]CCCCOC)c1ccc(N(C)C)cc1 ZINC000158264324 261162531 /nfs/dbraw/zinc/16/25/31/261162531.db2.gz IHGAKJBJYYIXMO-INIZCTEOSA-N 1 0 264.413 3.220 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCC23CCOCC3)cc1 ZINC000314506176 261723956 /nfs/dbraw/zinc/72/39/56/261723956.db2.gz DXDAAFKNBQMYAC-QGZVFWFLSA-N 1 0 288.435 3.192 20 10 CGCDRO CCN(CC)c1ccc(C[NH+]2CCC(C)(O)CC2)cc1F ZINC000179723872 261812072 /nfs/dbraw/zinc/81/20/72/261812072.db2.gz RJTZVZAGWVRHME-UHFFFAOYSA-N 1 0 294.414 3.019 20 10 CGCDRO C[C@H]([NH2+]C[C@@H](O)c1cccc(F)c1)c1cc(F)ccc1O ZINC000185163216 262044506 /nfs/dbraw/zinc/04/45/06/262044506.db2.gz VYLATNLNABNIGC-MGPLVRAMSA-N 1 0 293.313 3.055 20 10 CGCDRO CC[C@@H](C)[C@@H](O)C[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000185438427 262054107 /nfs/dbraw/zinc/05/41/07/262054107.db2.gz SMLIOXVBRINAKD-BFVZDQMLSA-N 1 0 271.788 3.103 20 10 CGCDRO CCCC[C@H](COC)[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000185494607 262056724 /nfs/dbraw/zinc/05/67/24/262056724.db2.gz ODKUKVLAPOBUMX-CHWSQXEVSA-N 1 0 281.396 3.257 20 10 CGCDRO C[C@H]([NH2+]Cc1ccccc1O)[C@@H](c1ccccc1)N(C)C ZINC000185679607 262065833 /nfs/dbraw/zinc/06/58/33/262065833.db2.gz RTLAOROBNMKPNE-KSSFIOAISA-N 1 0 284.403 3.173 20 10 CGCDRO C[C@H](CCCO)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000185689443 262066414 /nfs/dbraw/zinc/06/64/14/262066414.db2.gz MDYZHJHRKRVXCU-OLZOCXBDSA-N 1 0 277.408 3.083 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(N(C)C)n2)c(O)c1 ZINC000186179551 262083418 /nfs/dbraw/zinc/08/34/18/262083418.db2.gz QVTQIHGXDBQQLO-CYBMUJFWSA-N 1 0 285.391 3.012 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCCOCC1)c1cc2c(cc1O)CCCC2 ZINC000186234667 262085279 /nfs/dbraw/zinc/08/52/79/262085279.db2.gz CXPUNEVCANXWTO-BBRMVZONSA-N 1 0 289.419 3.491 20 10 CGCDRO C[C@@H]([NH2+][C@@H](CCO)c1ccco1)c1ccc(N(C)C)cc1 ZINC000186546796 262098155 /nfs/dbraw/zinc/09/81/55/262098155.db2.gz CVZCASQXGULVMS-CJNGLKHVSA-N 1 0 288.391 3.120 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)c2ccsc2)c1 ZINC000185512818 262305798 /nfs/dbraw/zinc/30/57/98/262305798.db2.gz RZEZWZCIXKMGGL-ABAIWWIYSA-N 1 0 277.389 3.146 20 10 CGCDRO CCc1cnc(C[NH2+][C@H](C)c2cc(OC)ccc2O)s1 ZINC000185584289 262305812 /nfs/dbraw/zinc/30/58/12/262305812.db2.gz SKUGRMMSYJGSDL-SNVBAGLBSA-N 1 0 292.404 3.271 20 10 CGCDRO Cc1cccc(CCC[NH2+]Cc2cccc(C)c2O)n1 ZINC000289312088 263109058 /nfs/dbraw/zinc/10/90/58/263109058.db2.gz DUFLDKSRNPHKDA-UHFFFAOYSA-N 1 0 270.376 3.126 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCCC2(CCOCC2)C1 ZINC000371324825 267390893 /nfs/dbraw/zinc/39/08/93/267390893.db2.gz AUSKVXPIWOYEBB-UHFFFAOYSA-N 1 0 295.810 3.438 20 10 CGCDRO CO[C@H]1CCC[N@H+](Cc2cc(Cl)cc(C)c2O)CC1 ZINC000377243853 268059020 /nfs/dbraw/zinc/05/90/20/268059020.db2.gz KEYARRKIEKSKHA-AWEZNQCLSA-N 1 0 283.799 3.355 20 10 CGCDRO CO[C@H]1CC[N@H+](Cc2cc(Cl)cc(C)c2O)[C@H](C)C1 ZINC000282441353 274080419 /nfs/dbraw/zinc/08/04/19/274080419.db2.gz UMAVDZZJHBWIAP-RISCZKNCSA-N 1 0 283.799 3.353 20 10 CGCDRO CC(C)(C[NH2+][C@H]1CCc2cccc(O)c21)c1ccccn1 ZINC000297304809 275549811 /nfs/dbraw/zinc/54/98/11/275549811.db2.gz MMKASMMSLAWAFC-AWEZNQCLSA-N 1 0 282.387 3.342 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2CCCOC2)cc1 ZINC000038044451 276341643 /nfs/dbraw/zinc/34/16/43/276341643.db2.gz WIXGDYMGOQUXQW-MRXNPFEDSA-N 1 0 276.424 3.049 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1cc2c(cc1O)CCCC2 ZINC000273544099 279516097 /nfs/dbraw/zinc/51/60/97/279516097.db2.gz YZXIVIGYCCWHGL-DVOMOZLQSA-N 1 0 289.419 3.489 20 10 CGCDRO CCO[C@@H](CC[NH2+][C@H]1CCc2cccc(O)c21)C(C)C ZINC000297897788 279763210 /nfs/dbraw/zinc/76/32/10/279763210.db2.gz VWXNCKWBDFNINV-HOCLYGCPSA-N 1 0 277.408 3.420 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)[C@H]1CCOC1)c1ccc(N(C)C)cc1 ZINC000268879179 280951642 /nfs/dbraw/zinc/95/16/42/280951642.db2.gz JUVUEPPZXGBWJV-QRTARXTBSA-N 1 0 276.424 3.218 20 10 CGCDRO CCC(CC)[C@H](O)C[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000185424411 327915602 /nfs/dbraw/zinc/91/56/02/327915602.db2.gz NQAAWINJSVGXMT-BLLLJJGKSA-N 1 0 265.397 3.148 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)COCC(F)(F)F)c1ccccc1O ZINC000272854985 328200953 /nfs/dbraw/zinc/20/09/53/328200953.db2.gz LRNXAMZAVFNPLW-VHSXEESVSA-N 1 0 277.286 3.010 20 10 CGCDRO C[C@@H]1Oc2ccccc2[C@H]1[NH2+]Cc1cc(F)ccc1O ZINC000290243049 328258586 /nfs/dbraw/zinc/25/85/86/328258586.db2.gz UVAAZSJSJBWXGE-QFYYESIMSA-N 1 0 273.307 3.143 20 10 CGCDRO CCCOc1ccc(C[NH2+]C[C@](C)(OC)C2CC2)c(O)c1 ZINC000291038579 328262276 /nfs/dbraw/zinc/26/22/76/328262276.db2.gz KHNVXAXAIOARFR-KRWDZBQOSA-N 1 0 293.407 3.086 20 10 CGCDRO COc1ccc(C[NH2+]CC[C@H](O)c2ccccc2)cc1C ZINC000289432385 328526693 /nfs/dbraw/zinc/52/66/93/328526693.db2.gz KWVANJFSVCEONF-KRWDZBQOSA-N 1 0 285.387 3.217 20 10 CGCDRO Oc1ccccc1C[NH+]1CCC(OC2CCCC2)CC1 ZINC000179566697 329209751 /nfs/dbraw/zinc/20/97/51/329209751.db2.gz FHBRRBVXEXDHBI-UHFFFAOYSA-N 1 0 275.392 3.316 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCN2C2CCCC2)cc1C ZINC000527811593 330284853 /nfs/dbraw/zinc/28/48/53/330284853.db2.gz YGMLLUAMJJFYQH-QGZVFWFLSA-N 1 0 288.435 3.116 20 10 CGCDRO C[C@H]([NH2+][C@@H](C)c1ncccc1F)c1cc(F)ccc1O ZINC000528036591 330302995 /nfs/dbraw/zinc/30/29/95/330302995.db2.gz UKCZUCYLVGZREQ-UWVGGRQHSA-N 1 0 278.302 3.477 20 10 CGCDRO C[C@@H](CCc1ccc(O)cc1)[NH2+]Cc1cc(F)ccc1O ZINC000226606663 333265983 /nfs/dbraw/zinc/26/59/83/333265983.db2.gz GZLSRQABFDVUMY-LBPRGKRZSA-N 1 0 289.350 3.348 20 10 CGCDRO CCCCOCC[NH2+][C@H](CC)c1ccccc1O ZINC000040506441 520785176 /nfs/dbraw/zinc/78/51/76/520785176.db2.gz AUFSMQIZCKEMRO-CQSZACIVSA-N 1 0 251.370 3.250 20 10 CGCDRO CC(C)[NH+]1CCC(NCc2c(O)cccc2Cl)CC1 ZINC000083551552 519672928 /nfs/dbraw/zinc/67/29/28/519672928.db2.gz UBEFYZVDBQBVPJ-UHFFFAOYSA-N 1 0 282.815 3.008 20 10 CGCDRO CC(C)C[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000037260707 519773337 /nfs/dbraw/zinc/77/33/37/519773337.db2.gz CBRYDSTZSFBJSE-OAHLLOKOSA-N 1 0 276.424 3.047 20 10 CGCDRO CCCC[C@H](C)[N@H+](C)Cc1cc(OC)c(OC)cc1O ZINC000291000932 521143045 /nfs/dbraw/zinc/14/30/45/521143045.db2.gz VZFQUPJEXSWAPJ-LBPRGKRZSA-N 1 0 281.396 3.420 20 10 CGCDRO CCC[C@]1(CO)CC[N@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000290162951 521320676 /nfs/dbraw/zinc/32/06/76/521320676.db2.gz MBTQACWEAABTNZ-INIZCTEOSA-N 1 0 297.826 3.339 20 10 CGCDRO COCC[C@H](C)[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000273589380 521918415 /nfs/dbraw/zinc/91/84/15/521918415.db2.gz OVOVUHRKAGHSKI-AAEUAGOBSA-N 1 0 251.370 3.085 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1C[C@H](C)N(C2CC2)C1)c1ccc(C)cc1O ZINC000280298086 522726308 /nfs/dbraw/zinc/72/63/08/522726308.db2.gz ZSNQOQKVJWLZKX-VBQJREDUSA-N 1 0 288.435 3.367 20 10 CGCDRO COCC(C)(C)CCC[NH2+]Cc1cc(C)ccc1O ZINC000290115942 522807096 /nfs/dbraw/zinc/80/70/96/522807096.db2.gz LRMXZYVGKMPAHT-UHFFFAOYSA-N 1 0 265.397 3.243 20 10 CGCDRO CCc1noc(C)c1C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000274818271 522847965 /nfs/dbraw/zinc/84/79/65/522847965.db2.gz ASXBKRKNUSUKNR-GFCCVEGCSA-N 1 0 287.407 3.462 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ncccc1N(C)C)c1ccccc1O ZINC000289629989 522894603 /nfs/dbraw/zinc/89/46/03/522894603.db2.gz FBZSUMHWLOZDRU-CQSZACIVSA-N 1 0 285.391 3.094 20 10 CGCDRO CC[C@@H]([NH2+][C@H](CO)c1ccc(F)cc1)c1ccccc1O ZINC000274913299 522947052 /nfs/dbraw/zinc/94/70/52/522947052.db2.gz NPDRUWYYARJCSV-HZPDHXFCSA-N 1 0 289.350 3.306 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCOc2ccccc2)c1 ZINC000042895453 524769913 /nfs/dbraw/zinc/76/99/13/524769913.db2.gz OLYUEUITQICCOT-ZDUSSCGKSA-N 1 0 287.359 3.130 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CC=CCC2)c1 ZINC000045628726 524773016 /nfs/dbraw/zinc/77/30/16/524773016.db2.gz DMYGLLDSSRIKLS-STQMWFEESA-N 1 0 261.365 3.408 20 10 CGCDRO C[C@H]1C[C@H](CC[NH2+]Cc2ccc(N(C)C)cc2)CCO1 ZINC000273086469 524895403 /nfs/dbraw/zinc/89/54/03/524895403.db2.gz RQWVYQRUVNUGRQ-LSDHHAIUSA-N 1 0 276.424 3.047 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2cc(F)ccc2O)CCC1(F)F ZINC000291489168 524985814 /nfs/dbraw/zinc/98/58/14/524985814.db2.gz GJSUIDFXPKRNKU-SECBINFHSA-N 1 0 259.271 3.008 20 10 CGCDRO C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc(F)cc1[O-] ZINC000278590675 525323982 /nfs/dbraw/zinc/32/39/82/525323982.db2.gz YVOKVOSLZBGBQQ-LBPRGKRZSA-N 1 0 292.398 3.056 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@](C)(O)c2ccccc2)cc1C ZINC000266190047 525324105 /nfs/dbraw/zinc/32/41/05/525324105.db2.gz ICUATALTSBZNSP-SFHVURJKSA-N 1 0 285.387 3.006 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]C[C@@H](c2cccs2)N(C)C)c1 ZINC000071406668 525349316 /nfs/dbraw/zinc/34/93/16/525349316.db2.gz XKVVJAUTINORNL-AWEZNQCLSA-N 1 0 290.432 3.155 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC000050015574 525363595 /nfs/dbraw/zinc/36/35/95/525363595.db2.gz JXELLVYNJHNVSV-GFCCVEGCSA-N 1 0 286.331 3.460 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000037668371 525365430 /nfs/dbraw/zinc/36/54/30/525365430.db2.gz BDCNGQDBENRSMA-LBPRGKRZSA-N 1 0 286.331 3.460 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)[C@@H](O)c2ccccc2)c1 ZINC000290522521 525365648 /nfs/dbraw/zinc/36/56/48/525365648.db2.gz ZAKSUJMBEWMTNU-SUNYJGFJSA-N 1 0 285.387 3.473 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cncc(F)c1 ZINC000160553266 525444579 /nfs/dbraw/zinc/44/45/79/525444579.db2.gz UAHHSUGJPGYFPR-LBPRGKRZSA-N 1 0 273.355 3.138 20 10 CGCDRO C[C@@H]([NH2+]CCF)c1ccc(N2CCCCC2)c(F)c1 ZINC000280921406 525446968 /nfs/dbraw/zinc/44/69/68/525446968.db2.gz DSPDZWQGKZGZLD-GFCCVEGCSA-N 1 0 268.351 3.436 20 10 CGCDRO C[C@@H]([NH2+]CC[C@H](C)O)c1ccc(N2CCCCC2)c(F)c1 ZINC000268903856 525457230 /nfs/dbraw/zinc/45/72/30/525457230.db2.gz RCCGEIDSXYTYNO-UONOGXRCSA-N 1 0 294.414 3.238 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1C)c1cc(Cl)ccc1O ZINC000278540521 525573412 /nfs/dbraw/zinc/57/34/12/525573412.db2.gz NYRITYCUWJLXJG-OUJBWJOFSA-N 1 0 269.772 3.121 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)CCCO)c1ccc2ccccc2c1O ZINC000094941573 525595930 /nfs/dbraw/zinc/59/59/30/525595930.db2.gz SFURJVSPHVCUHR-QWHCGFSZSA-N 1 0 273.376 3.357 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CC1(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000272105428 525631970 /nfs/dbraw/zinc/63/19/70/525631970.db2.gz XSWBRQMNBDQXON-MLGOLLRUSA-N 1 0 292.398 3.111 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCSC2)c(O)c1 ZINC000228551753 525731778 /nfs/dbraw/zinc/73/17/78/525731778.db2.gz VJTDLVJHTWSFPX-VXGBXAGGSA-N 1 0 251.395 3.104 20 10 CGCDRO COc1cccc(C2(C[NH2+]Cc3ccccc3O)CC2)c1 ZINC000289817432 525849888 /nfs/dbraw/zinc/84/98/88/525849888.db2.gz LYSNWXFBUITLCQ-UHFFFAOYSA-N 1 0 283.371 3.222 20 10 CGCDRO COc1cccc(C[N@H+](C)C2CCC(F)(F)CC2)c1O ZINC000290278640 525913546 /nfs/dbraw/zinc/91/35/46/525913546.db2.gz YWIYQLWHBXIYMZ-UHFFFAOYSA-N 1 0 285.334 3.411 20 10 CGCDRO COc1cccc(C[NH2+]Cc2ccc(F)cc2C)c1O ZINC000265113797 526022376 /nfs/dbraw/zinc/02/23/76/526022376.db2.gz YDKCRFGBXGHAED-UHFFFAOYSA-N 1 0 275.323 3.138 20 10 CGCDRO COc1cccc(C[NH2+][C@H]2CS[C@H](C(C)C)C2)c1O ZINC000289393853 526038362 /nfs/dbraw/zinc/03/83/62/526038362.db2.gz FJUWGFULALKONN-OCCSQVGLSA-N 1 0 281.421 3.021 20 10 CGCDRO Oc1cc(OCc2ccccc2)ccc1C[NH2+]CCF ZINC000280673773 526335526 /nfs/dbraw/zinc/33/55/26/526335526.db2.gz MKJPGQVNFQVRQK-UHFFFAOYSA-N 1 0 275.323 3.030 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]CC[C@@H](O)c1ccccc1 ZINC000289416828 526363487 /nfs/dbraw/zinc/36/34/87/526363487.db2.gz INUQRDZPVIHKSY-OAHLLOKOSA-N 1 0 291.778 3.259 20 10 CGCDRO Fc1ccccc1CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000037362556 526410417 /nfs/dbraw/zinc/41/04/17/526410417.db2.gz KXXXGDBFNHHSND-UHFFFAOYSA-N 1 0 271.335 3.093 20 10 CGCDRO C[C@@]1(C[NH2+]Cc2c(O)cccc2Cl)CCCC[C@H]1O ZINC000748243315 571673413 /nfs/dbraw/zinc/67/34/13/571673413.db2.gz XOYKHFRLTUAILS-CABCVRRESA-N 1 0 283.799 3.076 20 10 CGCDRO COc1ccc(C)cc1C[NH2+]Cc1cccc(OC)c1O ZINC000728775106 571820212 /nfs/dbraw/zinc/82/02/12/571820212.db2.gz ITJSAPWCNBAICR-UHFFFAOYSA-N 1 0 287.359 3.008 20 10 CGCDRO COc1cccc(C[NH2+][C@H]2CCc3ccc(C)cc32)c1O ZINC000730109480 571949156 /nfs/dbraw/zinc/94/91/56/571949156.db2.gz RYSWBYOFYARZCL-INIZCTEOSA-N 1 0 283.371 3.486 20 10 CGCDRO COc1ccc(C[NH2+][C@](C)(CO)C2CCCCC2)cc1C ZINC000740013301 572428738 /nfs/dbraw/zinc/42/87/38/572428738.db2.gz CKHZUKHXKXZQPX-GOSISDBHSA-N 1 0 291.435 3.425 20 10 CGCDRO COCCC[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000732202604 572451659 /nfs/dbraw/zinc/45/16/59/572451659.db2.gz YPYAGIHFUGJQJO-UHFFFAOYSA-N 1 0 275.348 3.024 20 10 CGCDRO CCn1nc(C)c(C[NH2+]Cc2c(O)cccc2Cl)c1C ZINC000733327316 572556226 /nfs/dbraw/zinc/55/62/26/572556226.db2.gz SCKOOADOTAWKPE-UHFFFAOYSA-N 1 0 293.798 3.169 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C(C)(C)C2CC2)cc1F ZINC000742373504 572570352 /nfs/dbraw/zinc/57/03/52/572570352.db2.gz XNLMHTCCCMHSPD-UHFFFAOYSA-N 1 0 250.361 3.170 20 10 CGCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C12CCC2 ZINC000742374204 572570407 /nfs/dbraw/zinc/57/04/07/572570407.db2.gz QHTSCZCAVQSRKE-DLBZAZTESA-N 1 0 287.403 3.059 20 10 CGCDRO C[C@H]([NH2+]Cc1cc(-c2ccccc2)ccc1O)C(C)(C)O ZINC000734841861 572686819 /nfs/dbraw/zinc/68/68/19/572686819.db2.gz YOMPFBSLZOGCMJ-ZDUSSCGKSA-N 1 0 285.387 3.308 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H](CC)C2CCOCC2)c1O ZINC000746054286 572849289 /nfs/dbraw/zinc/84/92/89/572849289.db2.gz QDFBLIHKFYHFBH-HNNXBMFYSA-N 1 0 293.407 3.086 20 10 CGCDRO C[C@H](CC1CCOCC1)[NH2+]Cc1cc(Cl)ccc1O ZINC000747100799 572909780 /nfs/dbraw/zinc/90/97/80/572909780.db2.gz VEQWIOCHLMUPIP-LLVKDONJSA-N 1 0 283.799 3.340 20 10 CGCDRO COc1cc(C[NH+]2C[C@H]3CCCC[C@@H]3C2)c(O)cc1C ZINC000160367885 618024507 /nfs/dbraw/zinc/02/45/07/618024507.db2.gz RMFMGOUZKAMYDM-ZIAGYGMSSA-N 1 0 275.392 3.331 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]CC[C@@]2(C)C[C@]2(F)Cl)c1 ZINC000846031912 618065070 /nfs/dbraw/zinc/06/50/70/618065070.db2.gz DBYPPPCPJFKDJE-UONOGXRCSA-N 1 0 271.763 3.495 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CC[C@H](C)[C@H](C)C2)c1O ZINC000093480865 618204392 /nfs/dbraw/zinc/20/43/92/618204392.db2.gz UDKOYKSKEPLTEO-QWHCGFSZSA-N 1 0 263.381 3.269 20 10 CGCDRO COc1cccc(C[NH2+]C(C)(C)c2ncc(C)s2)c1O ZINC000175983063 618250556 /nfs/dbraw/zinc/25/05/56/618250556.db2.gz KLVGLSHFERKUNB-UHFFFAOYSA-N 1 0 292.404 3.191 20 10 CGCDRO CCC(C)(C)OCC[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000308715940 618354564 /nfs/dbraw/zinc/35/45/64/618354564.db2.gz BGTNWSXNACCMMA-NSHDSACASA-N 1 0 269.360 3.387 20 10 CGCDRO CC[C@@H]([NH2+][C@H](C)CN(CC)CC)c1ccccc1O ZINC000045690281 618621700 /nfs/dbraw/zinc/62/17/00/618621700.db2.gz PXQPMUDPHOGUCS-UKRRQHHQSA-N 1 0 264.413 3.163 20 10 CGCDRO CO[C@@](C)([C@@H](C)[NH2+][C@@H](C)c1cc(F)ccc1O)C1CC1 ZINC000840858851 618693386 /nfs/dbraw/zinc/69/33/86/618693386.db2.gz HCKHEOFGUGOADN-USBNGQNGSA-N 1 0 281.371 3.386 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]CCCSc2nccs2)[C@@H]1C ZINC000309771816 618768756 /nfs/dbraw/zinc/76/87/56/618768756.db2.gz KRCOUCJCLWTOFF-MXWKQRLJSA-N 1 0 256.440 3.259 20 10 CGCDRO C[N@H+](Cc1ccccc1O)[C@@H]1CCCN(c2ccccc2)C1 ZINC000179577358 618796352 /nfs/dbraw/zinc/79/63/52/618796352.db2.gz ONYJTYKPAUSUAB-GOSISDBHSA-N 1 0 296.414 3.493 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1O)c1ccc2ccccc2c1O ZINC000051991393 618805521 /nfs/dbraw/zinc/80/55/21/618805521.db2.gz DXUPSTFYOZFZQZ-JLZZUVOBSA-N 1 0 285.387 3.500 20 10 CGCDRO C[C@](CO)([NH2+]Cc1ccc2c(c1)CCO2)C1CCCCC1 ZINC000152772212 618815298 /nfs/dbraw/zinc/81/52/98/618815298.db2.gz UMDYJHFVRMYAGG-GOSISDBHSA-N 1 0 289.419 3.042 20 10 CGCDRO CCN(CC)c1ccc(CNCc2nccn2C2CC2)cc1 ZINC000892614924 618875025 /nfs/dbraw/zinc/87/50/25/618875025.db2.gz OBSROQBRKLNNJX-UHFFFAOYSA-N 1 0 298.434 3.354 20 10 CGCDRO CCCCN(C)CC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000163500925 618888702 /nfs/dbraw/zinc/88/87/02/618888702.db2.gz ZYSGBSXCAMOJRV-OAHLLOKOSA-N 1 0 277.456 3.135 20 10 CGCDRO CCC1CC[NH+](Cc2cc(C)cc(OC)c2O)CC1 ZINC000164192048 618892708 /nfs/dbraw/zinc/89/27/08/618892708.db2.gz SDBPWJYESZPREM-UHFFFAOYSA-N 1 0 263.381 3.331 20 10 CGCDRO CCOc1cccc(C[NH2+]Cc2ccc(C)c(C)n2)c1O ZINC000314325669 618967929 /nfs/dbraw/zinc/96/79/29/618967929.db2.gz SOJLAWNGOAUGTA-UHFFFAOYSA-N 1 0 286.375 3.093 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCOC(C)(C)C)c(O)c1 ZINC000308721569 618974925 /nfs/dbraw/zinc/97/49/25/618974925.db2.gz DMURASIIVURWDH-GFCCVEGCSA-N 1 0 251.370 3.166 20 10 CGCDRO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000893107402 618997237 /nfs/dbraw/zinc/99/72/37/618997237.db2.gz BOJARMZHJRLWSS-YPMHNXCESA-N 1 0 279.380 3.078 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2CCCCC2(C)C)c(O)c1OC ZINC000893137797 619003977 /nfs/dbraw/zinc/00/39/77/619003977.db2.gz FGMUYAURBIQMFL-AWEZNQCLSA-N 1 0 293.407 3.468 20 10 CGCDRO C[N@H+](Cc1ccc(C#N)cc1)Cc1cc(F)ccc1O ZINC000179929429 619011419 /nfs/dbraw/zinc/01/14/19/619011419.db2.gz JFLVGHOGHOFDMT-UHFFFAOYSA-N 1 0 270.307 3.035 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCC(F)(F)C2)c1 ZINC000312096717 619024140 /nfs/dbraw/zinc/02/41/40/619024140.db2.gz RWJCEHGXYFYQGA-UWVGGRQHSA-N 1 0 271.307 3.239 20 10 CGCDRO CCOc1ncccc1C[NH2+][C@H](C)c1cc(C)ccc1O ZINC000184985593 619057078 /nfs/dbraw/zinc/05/70/78/619057078.db2.gz TVTIXYZFSGNDAA-CYBMUJFWSA-N 1 0 286.375 3.345 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](C)N2CCC(C)CC2)c1 ZINC000185227254 619059029 /nfs/dbraw/zinc/05/90/29/619059029.db2.gz RXFNTVQOCGQUKL-HZPDHXFCSA-N 1 0 290.451 3.472 20 10 CGCDRO CCOC1(C[NH2+]Cc2ccc3c(c2)CCO3)CCCC1 ZINC000312369065 619069498 /nfs/dbraw/zinc/06/94/98/619069498.db2.gz BQKLQTGZYNCWTI-UHFFFAOYSA-N 1 0 275.392 3.060 20 10 CGCDRO COC1(C[NH2+]Cc2cc(C)c(C)cc2O)CCCCC1 ZINC000187449672 619077163 /nfs/dbraw/zinc/07/71/63/619077163.db2.gz RZBRXFMNMGXQNZ-UHFFFAOYSA-N 1 0 277.408 3.448 20 10 CGCDRO COc1ccc(C[N@@H+]2CC[C@H](C(C)(C)C)C2)c(O)c1OC ZINC000893531004 619206333 /nfs/dbraw/zinc/20/63/33/619206333.db2.gz GGGXVNSQKYSNBS-ZDUSSCGKSA-N 1 0 293.407 3.277 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CC[C@H](C)O2)c(Cl)c1 ZINC000840953504 619256706 /nfs/dbraw/zinc/25/67/06/619256706.db2.gz TUKRISJEMZAQPL-QWRGUYRKSA-N 1 0 269.772 3.011 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2C[C@@H](C)O[C@H]2C)cc1 ZINC000840962421 619281912 /nfs/dbraw/zinc/28/19/12/619281912.db2.gz BMNJAOYBEOBLRN-VYDXJSESSA-N 1 0 290.451 3.436 20 10 CGCDRO COc1cc(Cl)cc(C[NH+]2C[C@@H](C)[C@H](C)C2)c1O ZINC000228667739 619282661 /nfs/dbraw/zinc/28/26/61/619282661.db2.gz YXPSBSSCDWYANZ-NXEZZACHSA-N 1 0 269.772 3.142 20 10 CGCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2O)C1(CC)CC ZINC000236892528 619308398 /nfs/dbraw/zinc/30/83/98/619308398.db2.gz OZRSISPLXNPXOQ-JKSUJKDBSA-N 1 0 277.408 3.466 20 10 CGCDRO C[C@H]([NH2+]Cc1cccc(O)c1)c1cc(F)ccc1O ZINC000185300405 625337684 /nfs/dbraw/zinc/33/76/84/625337684.db2.gz YNUQWVLVMRKSNI-JTQLQIEISA-N 1 0 261.296 3.088 20 10 CGCDRO COc1cc(C)cc(C[N@H+](C)[C@H](C)CCSC)c1O ZINC000894038873 619356139 /nfs/dbraw/zinc/35/61/39/619356139.db2.gz GSBPXBFWTJLHPJ-GFCCVEGCSA-N 1 0 283.437 3.283 20 10 CGCDRO COc1ccc(C[NH2+]Cc2cscc2C)c(O)c1OC ZINC000894080776 619368527 /nfs/dbraw/zinc/36/85/27/619368527.db2.gz XPJQBMKBFHKHSF-UHFFFAOYSA-N 1 0 293.388 3.069 20 10 CGCDRO CCCN(CCC)c1ccc(C[NH2+]CC2(O)CCC2)cc1 ZINC000236999428 619383777 /nfs/dbraw/zinc/38/37/77/619383777.db2.gz NQKJMMSKGWKDNX-UHFFFAOYSA-N 1 0 290.451 3.318 20 10 CGCDRO COc1cc(C)cc(C[NH2+]Cc2cccc(F)c2)c1O ZINC000894159472 619396378 /nfs/dbraw/zinc/39/63/78/619396378.db2.gz CIYCXYMHFORGGV-UHFFFAOYSA-N 1 0 275.323 3.138 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCCC(F)(F)CC1 ZINC000877652905 619414711 /nfs/dbraw/zinc/41/47/11/619414711.db2.gz PUZSSBBGFYDQSR-UHFFFAOYSA-N 1 0 255.308 3.322 20 10 CGCDRO C[C@@H]([NH2+]CCc1ccn(C)n1)c1ccc2ccccc2c1O ZINC000319760106 619465582 /nfs/dbraw/zinc/46/55/82/619465582.db2.gz QBBGRBAZWHLDOM-CYBMUJFWSA-N 1 0 295.386 3.172 20 10 CGCDRO COc1ccc(C[NH2+]C(C)(C)C2CCC2)c(O)c1OC ZINC000894722600 619617522 /nfs/dbraw/zinc/61/75/22/619617522.db2.gz JBGMOIJIQPTVFL-UHFFFAOYSA-N 1 0 279.380 3.078 20 10 CGCDRO CCC(C)(C)OCC[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894969553 619689329 /nfs/dbraw/zinc/68/93/29/619689329.db2.gz GHADPFLOTXOLGJ-UHFFFAOYSA-N 1 0 281.396 3.004 20 10 CGCDRO COc1cc(C)cc(C[NH2+]CC(C)(C)OCC2CC2)c1O ZINC000894992944 619692325 /nfs/dbraw/zinc/69/23/25/619692325.db2.gz SQAJSMIXAPVBLE-UHFFFAOYSA-N 1 0 293.407 3.004 20 10 CGCDRO CC[C@@H](COC)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000185504075 625365482 /nfs/dbraw/zinc/36/54/82/625365482.db2.gz JXMYYYQLBFXZNT-WFASDCNBSA-N 1 0 277.408 3.347 20 10 CGCDRO C[C@@H]1CC2(CC([NH2+]Cc3cc(Cl)ccc3O)C2)CO1 ZINC000895155501 619759263 /nfs/dbraw/zinc/75/92/63/619759263.db2.gz JIMJHHJMYFZOKH-ZZJLNTIPSA-N 1 0 281.783 3.093 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@H+]2CCSC[C@@H](C)C2)c1 ZINC000192181156 619762120 /nfs/dbraw/zinc/76/21/20/619762120.db2.gz QAADGMGKZUGIPB-LBPRGKRZSA-N 1 0 265.422 3.194 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@@H](C)c2cnc(C)s2)c1O ZINC000895439983 619829253 /nfs/dbraw/zinc/82/92/53/619829253.db2.gz KNJNSSKLNOAVAW-JTQLQIEISA-N 1 0 292.404 3.325 20 10 CGCDRO COc1ccc(O)c(C[NH2+]CC2(CC3CC3)CC2)c1 ZINC000895532295 619842744 /nfs/dbraw/zinc/84/27/44/619842744.db2.gz SPYHZPGEETXTJE-UHFFFAOYSA-N 1 0 261.365 3.071 20 10 CGCDRO COc1cc(C)cc(C[NH2+]CC(C)(C)CC(F)F)c1O ZINC000895530916 619842829 /nfs/dbraw/zinc/84/28/29/619842829.db2.gz AHJLHJOMOSNBKJ-UHFFFAOYSA-N 1 0 287.350 3.480 20 10 CGCDRO Cc1cccc(C[NH2+]C[C@]2(C)OCCc3ccccc32)c1O ZINC000895639854 619862786 /nfs/dbraw/zinc/86/27/86/619862786.db2.gz PHSSUKOZZVNABF-IBGZPJMESA-N 1 0 297.398 3.278 20 10 CGCDRO COc1ccc(C[NH2+]C[C@H]2CCCC23CC3)c(O)c1OC ZINC000895668960 619868910 /nfs/dbraw/zinc/86/89/10/619868910.db2.gz ROPVQNMWFCZRHC-CYBMUJFWSA-N 1 0 291.391 3.079 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](C)CC2CCC2)c(O)c1OC ZINC000895777498 619884281 /nfs/dbraw/zinc/88/42/81/619884281.db2.gz LRFSCOKQNZKEJT-NSHDSACASA-N 1 0 279.380 3.078 20 10 CGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2C[C@@H]3CSC[C@@H]3C2)cc1 ZINC000895780001 619886905 /nfs/dbraw/zinc/88/69/05/619886905.db2.gz ZANIYPCMAUPSHY-SSGMOAHOSA-N 1 0 288.460 3.061 20 10 CGCDRO CCCN(CC)CC[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000185631825 625399987 /nfs/dbraw/zinc/39/99/87/625399987.db2.gz PLFRQAMMJACLFJ-AWEZNQCLSA-N 1 0 264.413 3.083 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000797904950 620238369 /nfs/dbraw/zinc/23/83/69/620238369.db2.gz SMLTVKXWVVJFMT-CHWSQXEVSA-N 1 0 251.757 3.324 20 10 CGCDRO CC[C@@H]([NH2+]CC(C)(C)COC)c1ccccc1O ZINC000310793036 620245772 /nfs/dbraw/zinc/24/57/72/620245772.db2.gz BGFBFRYSPDPUDX-CYBMUJFWSA-N 1 0 251.370 3.106 20 10 CGCDRO Cc1cccc(C[NH2+]CC(C)(C)C2CCOCC2)c1O ZINC000897451323 620338388 /nfs/dbraw/zinc/33/83/88/620338388.db2.gz OFMIPTKZNVIUFY-UHFFFAOYSA-N 1 0 277.408 3.243 20 10 CGCDRO CC1(C)CC[C@H](CC[NH2+]Cc2ccccc2O)OC1 ZINC000897478296 620346234 /nfs/dbraw/zinc/34/62/34/620346234.db2.gz PMDUGSUGAQZTDP-CQSZACIVSA-N 1 0 263.381 3.077 20 10 CGCDRO COc1ccc(C[NH2+]CC[C@@H]2CCCC[C@@H]2O)cc1C ZINC000897539197 620382727 /nfs/dbraw/zinc/38/27/27/620382727.db2.gz RSEHZVYBGPUJTC-HOTGVXAUSA-N 1 0 277.408 3.034 20 10 CGCDRO CC[C@@H](C[NH2+][C@H](C)c1ccc(Cl)cc1O)OC ZINC000841752997 620388411 /nfs/dbraw/zinc/38/84/11/620388411.db2.gz DLOSENKGTGNMJR-KOLCDFICSA-N 1 0 257.761 3.121 20 10 CGCDRO Cc1ccc(O)c(CNc2ccc([C@H](C)[NH3+])cc2)c1 ZINC000841027690 620406658 /nfs/dbraw/zinc/40/66/58/620406658.db2.gz FJYOTSYLAJLRTD-LBPRGKRZSA-N 1 0 256.349 3.332 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2cncs2)c1 ZINC000897930212 620450508 /nfs/dbraw/zinc/45/05/08/620450508.db2.gz KYAFVSQOZFAAQA-NXEZZACHSA-N 1 0 278.377 3.269 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC000897970403 620451192 /nfs/dbraw/zinc/45/11/92/620451192.db2.gz IUPSMMQJRQNVFW-UHFFFAOYSA-N 1 0 275.392 3.138 20 10 CGCDRO CC1(C)CC2(CC([NH2+]Cc3c(O)cccc3Cl)C2)CO1 ZINC000897973013 620451779 /nfs/dbraw/zinc/45/17/79/620451779.db2.gz MMEOPHDYWGSJGB-UHFFFAOYSA-N 1 0 295.810 3.483 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]C[C@@H]1CCCC(C)(C)O1 ZINC000898047114 620464221 /nfs/dbraw/zinc/46/42/21/620464221.db2.gz RVEMJPIVKXITGM-ZDUSSCGKSA-N 1 0 263.381 3.138 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]C[C@H]2CCCC(C)(C)O2)c1 ZINC000898050535 620465206 /nfs/dbraw/zinc/46/52/06/620465206.db2.gz XWCKTVFYMCLQBN-CQSZACIVSA-N 1 0 263.381 3.138 20 10 CGCDRO COc1ccc(C[NH2+]C[C@]23C[C@H]2COC32CCC2)cc1C ZINC000898065598 620474052 /nfs/dbraw/zinc/47/40/52/620474052.db2.gz KQPAUAYFRBNBHM-DOTOQJQBSA-N 1 0 287.403 3.052 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc(CCO)cc1)c1ccccc1O ZINC000898169613 620485350 /nfs/dbraw/zinc/48/53/50/620485350.db2.gz IOSZPCAVTOYVHG-QGZVFWFLSA-N 1 0 285.387 3.168 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCS[C@@H](C)C2)c1 ZINC000927028482 620564129 /nfs/dbraw/zinc/56/41/29/620564129.db2.gz AIBHCJPGPVULLC-SRVKXCTJSA-N 1 0 281.421 3.336 20 10 CGCDRO CCC1(C[NH2+]Cc2cccc(OC)c2O)CCCC1 ZINC000152251868 620571345 /nfs/dbraw/zinc/57/13/45/620571345.db2.gz IVWBZXVXLPAFAQ-UHFFFAOYSA-N 1 0 263.381 3.461 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C2([C@@H]3CCCCO3)CC2)c1 ZINC000927164085 620618644 /nfs/dbraw/zinc/61/86/44/620618644.db2.gz WXFYUQJEQIYIPL-WBMJQRKESA-N 1 0 291.391 3.153 20 10 CGCDRO CNc1ccccc1C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000902042575 621113780 /nfs/dbraw/zinc/11/37/80/621113780.db2.gz QVAMICFPNXWFBQ-UHFFFAOYSA-N 1 0 269.392 3.084 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2cc(N(C)C)ccn2)c(O)c1 ZINC000903198851 621622881 /nfs/dbraw/zinc/62/28/81/621622881.db2.gz QBVHVTCJDWHNLV-CQSZACIVSA-N 1 0 299.418 3.321 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]CC(C)(C)C2CC2)c1O ZINC000903239439 621635788 /nfs/dbraw/zinc/63/57/88/621635788.db2.gz FOKFOXUNOKFVOD-NSHDSACASA-N 1 0 263.381 3.488 20 10 CGCDRO C[C@@H]([NH2+]C1CC2(C1)CO[C@@H](C)C2)c1cc(F)ccc1O ZINC000903281146 621660908 /nfs/dbraw/zinc/66/09/08/621660908.db2.gz FLAXPTZCTXOWKV-WIZUOIALSA-N 1 0 279.355 3.140 20 10 CGCDRO CC[C@@H]([NH2+][C@H](c1ncccn1)C1CC1)c1ccccc1O ZINC000903326654 621700096 /nfs/dbraw/zinc/70/00/96/621700096.db2.gz MDZJBHOVWPKJCZ-ZBFHGGJFSA-N 1 0 283.375 3.374 20 10 CGCDRO CC[C@H](C[NH2+][C@H](C)c1ccccc1O)C(=O)OC(C)(C)C ZINC000903354904 621712648 /nfs/dbraw/zinc/71/26/48/621712648.db2.gz YWTTUXJUBATKGK-CHWSQXEVSA-N 1 0 293.407 3.411 20 10 CGCDRO C[C@@H]([NH2+]CC[C@H](O)C1CC1)c1cc2c(cc1O)CCCC2 ZINC000903405897 621729822 /nfs/dbraw/zinc/72/98/22/621729822.db2.gz FWUIJZLSLCNGTR-PXAZEXFGSA-N 1 0 289.419 3.083 20 10 CGCDRO C[C@H]([NH2+]CC[C@H](O)C1CC1)c1ccc2ccccc2c1O ZINC000903407084 621730452 /nfs/dbraw/zinc/73/04/52/621730452.db2.gz MMDVJTVAYHMXMD-SJCJKPOMSA-N 1 0 285.387 3.357 20 10 CGCDRO CCC1([NH3+])CCN(Cc2c(O)cc(C)cc2Cl)CC1 ZINC000903947577 621840522 /nfs/dbraw/zinc/84/05/22/621840522.db2.gz BIUANJAAJKKBBW-UHFFFAOYSA-N 1 0 282.815 3.057 20 10 CGCDRO Cc1cc(N(C)C)ccc1CNc1ccccc1C[NH3+] ZINC000904484641 621926613 /nfs/dbraw/zinc/92/66/13/621926613.db2.gz HVLACJFYTSJOCB-UHFFFAOYSA-N 1 0 269.392 3.132 20 10 CGCDRO CSCCC[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000134922349 625554498 /nfs/dbraw/zinc/55/44/98/625554498.db2.gz SKDQBQBPAHPIER-SECBINFHSA-N 1 0 259.802 3.449 20 10 CGCDRO CCO[C@H]1C[C@@H]([NH2+][C@H](C)c2c(C)cc(C)cc2O)C1 ZINC000840763765 625555160 /nfs/dbraw/zinc/55/51/60/625555160.db2.gz KRCMVZDURPAQBB-MCIONIFRSA-N 1 0 263.381 3.227 20 10 CGCDRO C[C@@H]([NH2+]CC1(N(C)C)CCCC1)c1ccc(N(C)C)cc1 ZINC000149425019 622305729 /nfs/dbraw/zinc/30/57/29/622305729.db2.gz LLFBIFGOCXYKHT-OAHLLOKOSA-N 1 0 289.467 3.278 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2C[C@@H](OC(C)C)C2)c(O)c1 ZINC000840764446 625558734 /nfs/dbraw/zinc/55/87/34/625558734.db2.gz PUWSJWKHPAZHMV-MCIONIFRSA-N 1 0 263.381 3.307 20 10 CGCDRO C[C@@H]1C[NH+](Cc2ccc(N(C)C)c(F)c2)C[C@@H](C)S1 ZINC000769142089 625560724 /nfs/dbraw/zinc/56/07/24/625560724.db2.gz SGDCFUQCWCCDNF-VXGBXAGGSA-N 1 0 282.428 3.218 20 10 CGCDRO CC(C)[C@H](C)[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000163591675 622485352 /nfs/dbraw/zinc/48/53/52/622485352.db2.gz IUPAUSSVAYABFC-AWEZNQCLSA-N 1 0 278.465 3.374 20 10 CGCDRO CCOc1ncccc1C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000151185163 622744424 /nfs/dbraw/zinc/74/44/24/622744424.db2.gz RJHFLLIVXYBRSX-AWEZNQCLSA-N 1 0 299.418 3.397 20 10 CGCDRO CCN(CC)C[C@@H](C)[NH2+][C@H](C)c1cc(C)ccc1O ZINC000045692100 622886923 /nfs/dbraw/zinc/88/69/23/622886923.db2.gz QTCTYFZRBRZXDZ-ZIAGYGMSSA-N 1 0 264.413 3.082 20 10 CGCDRO CC(C)C[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000057993855 622894869 /nfs/dbraw/zinc/89/48/69/622894869.db2.gz GOQVOCPWLZTADY-ZIAGYGMSSA-N 1 0 294.414 3.185 20 10 CGCDRO C[C@H]1CCC[C@](C[NH2+]Cc2cc(F)ccc2O)(N(C)C)C1 ZINC000226585995 622986855 /nfs/dbraw/zinc/98/68/55/622986855.db2.gz HDXUCGZDJZCTBM-GUYCJALGSA-N 1 0 294.414 3.131 20 10 CGCDRO Oc1ccccc1C[NH2+]Cc1occc1Br ZINC000227369587 623017888 /nfs/dbraw/zinc/01/78/88/623017888.db2.gz OKAMIDMBTUTOFX-UHFFFAOYSA-N 1 0 282.137 3.038 20 10 CGCDRO Oc1ccc(Br)cc1C[NH2+]CCc1ccco1 ZINC000227434650 623019640 /nfs/dbraw/zinc/01/96/40/623019640.db2.gz LFOSYRYIBKMTDS-UHFFFAOYSA-N 1 0 296.164 3.080 20 10 CGCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]CCOC)cc1 ZINC000060806052 623072199 /nfs/dbraw/zinc/07/21/99/623072199.db2.gz JEOWXKLICHGNJU-UHFFFAOYSA-N 1 0 298.430 3.449 20 10 CGCDRO C[N@H+](Cc1ccnc(Cl)c1)Cc1ccccc1O ZINC000171927139 623199926 /nfs/dbraw/zinc/19/99/26/623199926.db2.gz XUOIQQKBHVFRAL-UHFFFAOYSA-N 1 0 262.740 3.073 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@]2(C)CCO[C@H]2C)cc1 ZINC000230155648 623216365 /nfs/dbraw/zinc/21/63/65/623216365.db2.gz OQAPVMQCKDMGLK-YOEHRIQHSA-N 1 0 276.424 3.190 20 10 CGCDRO CC[C@@H]([NH3+])C[NH2+][C@@H](CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000817979569 625633095 /nfs/dbraw/zinc/63/30/95/625633095.db2.gz LWTVXWAKNVBQKD-SKDRFNHKSA-N 1 0 291.222 3.477 20 10 CGCDRO CO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cc(C)ccc2O)C1(C)C ZINC000230665779 623258124 /nfs/dbraw/zinc/25/81/24/623258124.db2.gz QQDZHGGYCBRIEN-NILFDRSVSA-N 1 0 263.381 3.165 20 10 CGCDRO CS[C@@H]1CC[C@H]([NH2+]Cc2c(O)cccc2Cl)C1 ZINC000230698218 623263716 /nfs/dbraw/zinc/26/37/16/623263716.db2.gz RGJOXXVEZKFGQY-VHSXEESVSA-N 1 0 271.813 3.419 20 10 CGCDRO Cc1cnc(C[NH2+]Cc2cc(Cl)ccc2O)s1 ZINC000230686982 623265177 /nfs/dbraw/zinc/26/51/77/623265177.db2.gz XNMGMEUFGXJRBY-UHFFFAOYSA-N 1 0 268.769 3.100 20 10 CGCDRO C[C@@H]([NH2+]CCOCC1CCCC1)c1cc(F)ccc1O ZINC000313258361 623636406 /nfs/dbraw/zinc/63/64/06/623636406.db2.gz XHJWVCCOKXTILN-GFCCVEGCSA-N 1 0 281.371 3.389 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@H+]2CCS[C@@H](C)[C@H]2C)c1 ZINC000246084502 624249950 /nfs/dbraw/zinc/24/99/50/624249950.db2.gz CDRRZMIQHFHZDY-OLZOCXBDSA-N 1 0 265.422 3.335 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc(NC(N)=O)cc1)c1ccccc1O ZINC000155055270 624417554 /nfs/dbraw/zinc/41/75/54/624417554.db2.gz LPQHPMHDYCVELR-OAHLLOKOSA-N 1 0 299.374 3.124 20 10 CGCDRO Cc1cc(O)c(C[N@H+](CCO)C2CCCCC2)cc1C ZINC000155127856 624431202 /nfs/dbraw/zinc/43/12/02/624431202.db2.gz RPXOOCQZTHILAX-UHFFFAOYSA-N 1 0 277.408 3.136 20 10 CGCDRO CCC[C@@H]([NH2+]Cc1cc(OC)ccc1O)C1CCC1 ZINC000324782614 624591123 /nfs/dbraw/zinc/59/11/23/624591123.db2.gz HEMJHJSWTHLICX-OAHLLOKOSA-N 1 0 263.381 3.459 20 10 CGCDRO COc1ccc(O)c(C[N@H+](C)Cc2ccc(F)cc2)c1 ZINC000179575788 624665914 /nfs/dbraw/zinc/66/59/14/624665914.db2.gz LFVNQVDZZOLACH-UHFFFAOYSA-N 1 0 275.323 3.172 20 10 CGCDRO C[NH+](C)CCC1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC000179826914 624688751 /nfs/dbraw/zinc/68/87/51/624688751.db2.gz RRPISUCTZJRLQE-UHFFFAOYSA-N 1 0 296.842 3.209 20 10 CGCDRO CCOc1cccc(C[NH2+][C@H]2CCCC[C@@H]2C)c1O ZINC000019945348 634403290 /nfs/dbraw/zinc/40/32/90/634403290.db2.gz DWUCGZQRGNIRJZ-JSGCOSHPSA-N 1 0 263.381 3.459 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CCCC[C@H]2C(C)C)cc1OC ZINC000180276704 624731324 /nfs/dbraw/zinc/73/13/24/624731324.db2.gz ABPSVBAUYWTMLA-AWEZNQCLSA-N 1 0 293.407 3.420 20 10 CGCDRO C[C@H]1CCC[C@H]1[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000071206825 625065779 /nfs/dbraw/zinc/06/57/79/625065779.db2.gz ZABFLKMDNXXJRU-XJKSGUPXSA-N 1 0 258.409 3.347 20 10 CGCDRO C[C@H](C[NH2+][C@H](C)c1ccccc1O)N1CCc2ccccc21 ZINC000183456171 625076026 /nfs/dbraw/zinc/07/60/26/625076026.db2.gz MZHNXSPPOPICSM-HUUCEWRRSA-N 1 0 296.414 3.494 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]CCCN(C)c2ccccc2)c1 ZINC000071403797 625086308 /nfs/dbraw/zinc/08/63/08/625086308.db2.gz XBKWLRQDOQKCHT-UHFFFAOYSA-N 1 0 284.403 3.317 20 10 CGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)C2CCCC2)c1O ZINC000184652729 625258402 /nfs/dbraw/zinc/25/84/02/625258402.db2.gz IVDOTZYACCBTCS-JTQLQIEISA-N 1 0 279.355 3.402 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cccc2c1OCC2 ZINC000921747628 625861362 /nfs/dbraw/zinc/86/13/62/625861362.db2.gz QEJSFLWXXZURCH-UHFFFAOYSA-N 1 0 296.414 3.286 20 10 CGCDRO CN(C)c1ccccc1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921759456 625866062 /nfs/dbraw/zinc/86/60/62/625866062.db2.gz KLHSSXQEMPLBKI-UHFFFAOYSA-N 1 0 296.414 3.367 20 10 CGCDRO c1ccc2c(c1)COC[C@H]2[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922191553 625981942 /nfs/dbraw/zinc/98/19/42/625981942.db2.gz WNLULQCJFMEYAK-GOSISDBHSA-N 1 0 295.382 3.373 20 10 CGCDRO O[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)c2ccccc21 ZINC000922246507 625989356 /nfs/dbraw/zinc/98/93/56/625989356.db2.gz RAYOQMPAPYPELQ-QZTJIDSGSA-N 1 0 295.382 3.280 20 10 CGCDRO O[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)c2ccccc21 ZINC000922246505 625989508 /nfs/dbraw/zinc/98/95/08/625989508.db2.gz RAYOQMPAPYPELQ-MSOLQXFVSA-N 1 0 295.382 3.280 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]C(C)(C)/C=C/Cl)c1 ZINC000922648537 626025000 /nfs/dbraw/zinc/02/50/00/626025000.db2.gz MZCCQYHCCYGPGB-BQYQJAHWSA-N 1 0 269.772 3.412 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)CCS1 ZINC000922836218 626053522 /nfs/dbraw/zinc/05/35/22/626053522.db2.gz KSFYWUCWCQOZSC-YPMHNXCESA-N 1 0 282.428 3.265 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)cc2)CCS1 ZINC000922841877 626055563 /nfs/dbraw/zinc/05/55/63/626055563.db2.gz DRFTWNQEXVEZMD-TZMCWYRMSA-N 1 0 264.438 3.126 20 10 CGCDRO Oc1cc2c(cc1C[N@H+](Cc1ccccc1)C1CC1)OCO2 ZINC000073893126 626074740 /nfs/dbraw/zinc/07/47/40/626074740.db2.gz SJCKUAYSGBBXTH-UHFFFAOYSA-N 1 0 297.354 3.286 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)cc1C ZINC000922894718 626091029 /nfs/dbraw/zinc/09/10/29/626091029.db2.gz BQMPANPYUIECEY-QAPCUYQASA-N 1 0 289.419 3.304 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F)c1ccn(C)n1 ZINC000840814968 626247254 /nfs/dbraw/zinc/24/72/54/626247254.db2.gz AOGNRKKPMNZCLF-GIPNMCIBSA-N 1 0 289.354 3.164 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CO[C@H](C)C1)c1cc(Cl)ccc1O ZINC000842927807 626292019 /nfs/dbraw/zinc/29/20/19/626292019.db2.gz GVKQJZPVFSMLNH-XWIASGKRSA-N 1 0 269.772 3.264 20 10 CGCDRO CC(C)(C)C1C[NH+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000839145128 626317126 /nfs/dbraw/zinc/31/71/26/626317126.db2.gz LYAXTECJKDUYRH-UHFFFAOYSA-N 1 0 288.435 3.001 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2C[C@H](OC)C23CCC3)c1 ZINC000839179538 626326116 /nfs/dbraw/zinc/32/61/16/626326116.db2.gz KUAAHCAFCYPGCR-UVBJJODRSA-N 1 0 291.391 3.009 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000839186892 626327622 /nfs/dbraw/zinc/32/76/22/626327622.db2.gz RTQLRIRLCYCNOV-BYCMXARLSA-N 1 0 261.365 3.069 20 10 CGCDRO Cc1ccc(CC[N@@H+](C)Cc2ccccc2O)cc1 ZINC000124741236 634495984 /nfs/dbraw/zinc/49/59/84/634495984.db2.gz SJRUXFMSPAGNJI-UHFFFAOYSA-N 1 0 255.361 3.375 20 10 CGCDRO CC[C@H]1C[C@H](C)C[N@@H+]1Cc1cc(C)cc(OC)c1O ZINC000754735859 626585540 /nfs/dbraw/zinc/58/55/40/626585540.db2.gz FOSCZYBKXPABHA-JSGCOSHPSA-N 1 0 263.381 3.330 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCN2CCC(C)CC2)c(O)c1C ZINC000756419543 626704567 /nfs/dbraw/zinc/70/45/67/626704567.db2.gz VHUMTGVLLYPWAS-INIZCTEOSA-N 1 0 290.451 3.392 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCCN(C)C1)c1cc2c(cc1O)CCCC2 ZINC000756444179 626706589 /nfs/dbraw/zinc/70/65/89/626706589.db2.gz KJLDZNCWVDENNF-BBRMVZONSA-N 1 0 288.435 3.016 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1CCCCO1)c1cc2c(cc1O)CCCC2 ZINC000756456212 626706969 /nfs/dbraw/zinc/70/69/69/626706969.db2.gz MVIKUPDRIMCGMG-BBRMVZONSA-N 1 0 289.419 3.491 20 10 CGCDRO CCN(CC)C[C@H](C)[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756536405 626713237 /nfs/dbraw/zinc/71/32/37/626713237.db2.gz VKAUFONCDBLXJZ-DYEKYZERSA-N 1 0 294.414 3.400 20 10 CGCDRO C[C@H]([NH2+]CCN1[C@H](C)CCC[C@H]1C)c1cc(F)ccc1O ZINC000756554939 626714733 /nfs/dbraw/zinc/71/47/33/626714733.db2.gz OSRIWEWIBZTVOD-MCIONIFRSA-N 1 0 294.414 3.445 20 10 CGCDRO C[C@H]([NH2+]CCOc1cccnc1)c1cc(Cl)ccc1O ZINC000756570201 626716211 /nfs/dbraw/zinc/71/62/11/626716211.db2.gz BJSXRXSWHQNHKP-NSHDSACASA-N 1 0 292.766 3.170 20 10 CGCDRO CC(C)c1cc(C[NH2+][C@H](C)c2cc(F)ccc2O)on1 ZINC000756573892 626716916 /nfs/dbraw/zinc/71/69/16/626716916.db2.gz STGQAFGGAFNWDE-SNVBAGLBSA-N 1 0 278.327 3.494 20 10 CGCDRO CCC[C@](C)(O)C[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756574901 626717123 /nfs/dbraw/zinc/71/71/23/626717123.db2.gz HGZVFXGZNMPALY-IETSOEAISA-N 1 0 281.371 3.220 20 10 CGCDRO CCC[C@](C)(O)C[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756574912 626717160 /nfs/dbraw/zinc/71/71/60/626717160.db2.gz HGZVFXGZNMPALY-SIVJFFJCSA-N 1 0 281.371 3.220 20 10 CGCDRO CC[C@@H]1CCCCN1CC[NH2+][C@H](C)c1cc(F)ccc1O ZINC000756577705 626717640 /nfs/dbraw/zinc/71/76/40/626717640.db2.gz ZSJWNEQWDVKWAA-UKRRQHHQSA-N 1 0 294.414 3.446 20 10 CGCDRO CC[C@H](COC)[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000756594507 626719074 /nfs/dbraw/zinc/71/90/74/626719074.db2.gz OAQRZEUUGAIAGR-CHWSQXEVSA-N 1 0 251.370 3.085 20 10 CGCDRO CC[C@@H](COC)[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000756594510 626719153 /nfs/dbraw/zinc/71/91/53/626719153.db2.gz OAQRZEUUGAIAGR-STQMWFEESA-N 1 0 251.370 3.085 20 10 CGCDRO C[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)[C@H]1CCOC1 ZINC000756613360 626720627 /nfs/dbraw/zinc/72/06/27/626720627.db2.gz PADYAVOCKRQOQP-BLFANLJRSA-N 1 0 279.355 3.094 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCN2CCC[C@@H]2C)c(O)c1C ZINC000756616925 626720840 /nfs/dbraw/zinc/72/08/40/626720840.db2.gz MCQPZEYTTMBSEU-DZGCQCFKSA-N 1 0 276.424 3.144 20 10 CGCDRO C[C@H]([NH2+]CCN1CC[C@H](C)C1)c1cc(Cl)ccc1O ZINC000756628375 626721867 /nfs/dbraw/zinc/72/18/67/626721867.db2.gz LUQZOAVVWDNJAF-RYUDHWBXSA-N 1 0 282.815 3.038 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)Cc2ccoc2)c1 ZINC000756641378 626723457 /nfs/dbraw/zinc/72/34/57/626723457.db2.gz VJLGEIXUJIENMW-VXGBXAGGSA-N 1 0 275.348 3.276 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C2CCOCC2)c(O)c1C ZINC000756652751 626724722 /nfs/dbraw/zinc/72/47/22/626724722.db2.gz ACIQMRCJILHIER-UONOGXRCSA-N 1 0 277.408 3.475 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(F)cn2)c1 ZINC000756657112 626725149 /nfs/dbraw/zinc/72/51/49/626725149.db2.gz AHMLAPIYPIEZIL-NSHDSACASA-N 1 0 260.312 3.086 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCc2cnc(C3CC3)nc2)c(O)c1 ZINC000756768131 626730487 /nfs/dbraw/zinc/73/04/87/626730487.db2.gz AEMGRBHOFVXTJG-CYBMUJFWSA-N 1 0 297.402 3.261 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]CCOC2CCC2)c2c1c(F)ccc2O ZINC000756837083 626736086 /nfs/dbraw/zinc/73/60/86/626736086.db2.gz FPLQRUAKZXYVOR-MFKMUULPSA-N 1 0 279.355 3.238 20 10 CGCDRO COC1CCC(CC[NH2+]Cc2cccc(C)c2O)CC1 ZINC000757986316 626819919 /nfs/dbraw/zinc/81/99/19/626819919.db2.gz SDZFEUBXOZWLBD-UHFFFAOYSA-N 1 0 277.408 3.386 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCO[C@@H](C3CCCCC3)C2)c1 ZINC000758062179 626824809 /nfs/dbraw/zinc/82/48/09/626824809.db2.gz HETBXATWZFTNTQ-GOSISDBHSA-N 1 0 289.419 3.482 20 10 CGCDRO COc1cccc(C[N@@H+]2CCc3cccc(C)c3C2)c1O ZINC000763510452 627161686 /nfs/dbraw/zinc/16/16/86/627161686.db2.gz ZYTMTVDYALFCJS-UHFFFAOYSA-N 1 0 283.371 3.268 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@H+]2CC[C@H](N3CCCC3)[C@H]2C)c1 ZINC000808193011 627175756 /nfs/dbraw/zinc/17/57/56/627175756.db2.gz TZVMMGOUNUEIQU-WBVHZDCISA-N 1 0 288.435 3.068 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCN(C)C1)c1ccc(N2CCCCC2)cc1 ZINC000765767468 627269049 /nfs/dbraw/zinc/26/90/49/627269049.db2.gz KHNKQQMPWBOTQO-NVXWUHKLSA-N 1 0 287.451 3.032 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@]2(C)CCOC2)cc1 ZINC000765957823 627281308 /nfs/dbraw/zinc/28/13/08/627281308.db2.gz KBZAPPPJPJNTKK-YOEHRIQHSA-N 1 0 276.424 3.220 20 10 CGCDRO COc1cccc(O)c1C[NH2+]C1CCC2(CC2)CC1 ZINC000766213561 627303670 /nfs/dbraw/zinc/30/36/70/627303670.db2.gz QZNGOHFSKBZSIR-UHFFFAOYSA-N 1 0 261.365 3.213 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]C[C@@H]1CCCCN1C1CC1 ZINC000766222045 627304897 /nfs/dbraw/zinc/30/48/97/627304897.db2.gz DCKLZHRMOFQRHH-HNNXBMFYSA-N 1 0 294.826 3.152 20 10 CGCDRO CCCC[N@H+](CC)Cc1ccc(OCC)cc1O ZINC000768144404 627463032 /nfs/dbraw/zinc/46/30/32/627463032.db2.gz QNYXNCXCSHUHAC-UHFFFAOYSA-N 1 0 251.370 3.413 20 10 CGCDRO COCC[N@H+](Cc1ccccc1)Cc1ccc(N(C)C)cc1 ZINC000768163882 627464894 /nfs/dbraw/zinc/46/48/94/627464894.db2.gz SRQZLFJQDDYHNO-UHFFFAOYSA-N 1 0 298.430 3.401 20 10 CGCDRO CC[C@H]1C[N@H+](Cc2ccc(N(CC)CC)cc2)CCO1 ZINC000768236589 627470057 /nfs/dbraw/zinc/47/00/57/627470057.db2.gz GWEQNZVHRFHXSE-KRWDZBQOSA-N 1 0 276.424 3.144 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)C[C@@H]2CCCO2)cc1F ZINC000768248577 627471097 /nfs/dbraw/zinc/47/10/97/627471097.db2.gz INGINVLHWKVEKY-HNNXBMFYSA-N 1 0 294.414 3.283 20 10 CGCDRO COCC[C@H]1CCCC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000768541720 627485530 /nfs/dbraw/zinc/48/55/30/627485530.db2.gz QQPKBKQTAMABBO-MRXNPFEDSA-N 1 0 290.451 3.391 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCC(C)(C)C2)c1 ZINC000768662153 627491426 /nfs/dbraw/zinc/49/14/26/627491426.db2.gz RWSKTUPQQZZCHI-CYBMUJFWSA-N 1 0 263.381 3.459 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CCC[C@H](CC)C2)c(O)c1 ZINC000768844721 627503487 /nfs/dbraw/zinc/50/34/87/627503487.db2.gz CXPOPWAMSBYGIT-ZDUSSCGKSA-N 1 0 263.381 3.413 20 10 CGCDRO CC[N@H+](CCc1ccccn1)Cc1cc(C)ccc1O ZINC000769036286 627519725 /nfs/dbraw/zinc/51/97/25/627519725.db2.gz KHIGDGBZXWHSJL-UHFFFAOYSA-N 1 0 270.376 3.160 20 10 CGCDRO CCOc1ccc(C[N@H+](C[C@@H](C)OC)C(C)C)c(O)c1 ZINC000769475287 627557946 /nfs/dbraw/zinc/55/79/46/627557946.db2.gz VVQWHVDOWYYLBF-CYBMUJFWSA-N 1 0 281.396 3.036 20 10 CGCDRO CCOc1cccc(C[NH2+]Cc2ccc3c(c2)COC3)c1O ZINC000769929221 627590142 /nfs/dbraw/zinc/59/01/42/627590142.db2.gz WQLOSAPVBHKDKD-UHFFFAOYSA-N 1 0 299.370 3.111 20 10 CGCDRO C/C=C/C[C@H](CO)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000769938260 627590973 /nfs/dbraw/zinc/59/09/73/627590973.db2.gz VXKSGSNMQARGND-ZMUQKWFASA-N 1 0 297.398 3.476 20 10 CGCDRO C[C@H]([NH2+][C@H](CO)c1ccsc1)c1ccc(N(C)C)cc1 ZINC000769991610 627596488 /nfs/dbraw/zinc/59/64/88/627596488.db2.gz YZRQVSCTOFIPHJ-BLLLJJGKSA-N 1 0 290.432 3.198 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC000770371575 627615357 /nfs/dbraw/zinc/61/53/57/627615357.db2.gz AUSIVVABFPUVCE-SJORKVTESA-N 1 0 288.435 3.001 20 10 CGCDRO CCC1(O)CCC([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC000771875798 627738391 /nfs/dbraw/zinc/73/83/91/627738391.db2.gz SUNNUAHXLSCWFV-UHFFFAOYSA-N 1 0 277.408 3.177 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CCc3ccccc3C2)c(O)c1 ZINC000771929556 627745673 /nfs/dbraw/zinc/74/56/73/627745673.db2.gz YSWZUKFAPAJNEY-UHFFFAOYSA-N 1 0 283.371 3.349 20 10 CGCDRO C[C@@H]([NH2+]CC1(C)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000773041747 627845896 /nfs/dbraw/zinc/84/58/96/627845896.db2.gz QRSHBTFZLPPVLW-CYBMUJFWSA-N 1 0 292.398 3.113 20 10 CGCDRO C[C@H]([NH2+]CCN1CCC1)c1ccc(N2CCCCC2)cc1 ZINC000773097136 627855859 /nfs/dbraw/zinc/85/58/59/627855859.db2.gz ZOCORNNGMMEOIZ-INIZCTEOSA-N 1 0 287.451 3.033 20 10 CGCDRO CCN(C)c1ccc(CN2CCC[N@@H+](C(C)C)CC2)cc1 ZINC000773748539 627910138 /nfs/dbraw/zinc/91/01/38/627910138.db2.gz NBCDHYFQXPKGMD-UHFFFAOYSA-N 1 0 289.467 3.059 20 10 CGCDRO CC[C@@H]1C[N@H+](Cc2ccc(N(C)CC)cc2)C[C@@H](C)O1 ZINC000773757865 627912049 /nfs/dbraw/zinc/91/20/49/627912049.db2.gz QSYASQZRSBJPHZ-RHSMWYFYSA-N 1 0 276.424 3.142 20 10 CGCDRO CC[C@H]1C[N@H+](Cc2ccc(N(C)CC)cc2)C[C@@H](C)O1 ZINC000773757864 627912323 /nfs/dbraw/zinc/91/23/23/627912323.db2.gz QSYASQZRSBJPHZ-PBHICJAKSA-N 1 0 276.424 3.142 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000773783753 627915159 /nfs/dbraw/zinc/91/51/59/627915159.db2.gz FGVUJEZMDLSQRY-DLBZAZTESA-N 1 0 288.435 3.001 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCCC[C@H](COC)C2)cc1 ZINC000773861960 627921025 /nfs/dbraw/zinc/92/10/25/627921025.db2.gz XNYKSSASANJMPK-KRWDZBQOSA-N 1 0 290.451 3.391 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCCCN2C2CC2)c1 ZINC000774379196 627984331 /nfs/dbraw/zinc/98/43/31/627984331.db2.gz NZJRWOSZEJOENO-ZBFHGGJFSA-N 1 0 288.435 3.368 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)COC)c1cc(Cl)ccc1O ZINC000775483229 628097819 /nfs/dbraw/zinc/09/78/19/628097819.db2.gz POFACPGLRBYVBG-SKDRFNHKSA-N 1 0 257.761 3.121 20 10 CGCDRO CC[C@H]([NH2+]CC1(C)COC1)c1cc(Cl)ccc1O ZINC000775503645 628102089 /nfs/dbraw/zinc/10/20/89/628102089.db2.gz LJLCRGJZGUNOGW-LBPRGKRZSA-N 1 0 269.772 3.123 20 10 CGCDRO CC[C@@H]([NH2+][C@H](CO)c1cccc(F)c1)c1ccccc1O ZINC000775526093 628103872 /nfs/dbraw/zinc/10/38/72/628103872.db2.gz ZXHJTCXKNFNFJO-HZPDHXFCSA-N 1 0 289.350 3.306 20 10 CGCDRO CC[C@@H]([NH2+][C@H](CCO)C1CC1)c1cc(Cl)ccc1O ZINC000775526879 628103929 /nfs/dbraw/zinc/10/39/29/628103929.db2.gz MUCFXNAWTRVERD-ZIAGYGMSSA-N 1 0 283.799 3.247 20 10 CGCDRO CC[C@H]([NH2+]C1COC(C)(C)OC1)c1cc(Cl)ccc1O ZINC000775552826 628105532 /nfs/dbraw/zinc/10/55/32/628105532.db2.gz XHIPKDZFUMKURK-ZDUSSCGKSA-N 1 0 299.798 3.238 20 10 CGCDRO CC[C@@H]([NH2+]CCC1(C)OCCO1)c1cc(Cl)ccc1O ZINC000775555679 628106355 /nfs/dbraw/zinc/10/63/55/628106355.db2.gz OBYKPOTZUHSDBY-CYBMUJFWSA-N 1 0 299.798 3.239 20 10 CGCDRO C[C@@H]([NH2+]CCCCCCCO)c1ccc(N(C)C)cc1 ZINC000775838322 628141303 /nfs/dbraw/zinc/14/13/03/628141303.db2.gz XBIRMOONSTWEAB-OAHLLOKOSA-N 1 0 278.440 3.346 20 10 CGCDRO Cc1cccc(C[NH2+]Cc2nc3cc(F)ccc3n2C)c1O ZINC000776215339 628181627 /nfs/dbraw/zinc/18/16/27/628181627.db2.gz ZYWDRXMCSCLPOA-UHFFFAOYSA-N 1 0 299.349 3.016 20 10 CGCDRO COc1cccc(O)c1C[NH2+][C@@H]1CCO[C@@H](CC(C)C)C1 ZINC000776948996 628240578 /nfs/dbraw/zinc/24/05/78/628240578.db2.gz JGOQVBOBFWQFBI-KGLIPLIRSA-N 1 0 293.407 3.084 20 10 CGCDRO CC(C)C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2O)CCO1 ZINC000776950435 628240987 /nfs/dbraw/zinc/24/09/87/628240987.db2.gz BGTBZZRZABFEDP-LSDHHAIUSA-N 1 0 263.381 3.076 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+][C@]2(C)CCCOC2)c1O ZINC000777504897 628276739 /nfs/dbraw/zinc/27/67/39/628276739.db2.gz BKRYNQPTLLFHKC-CQSZACIVSA-N 1 0 269.772 3.013 20 10 CGCDRO Cc1ccccc1C[N@@H+](C)Cc1cc(F)ccc1O ZINC000778992971 628380808 /nfs/dbraw/zinc/38/08/08/628380808.db2.gz NHZWGDXFRWUERQ-UHFFFAOYSA-N 1 0 259.324 3.472 20 10 CGCDRO C[N@H+](CCCOc1ccccc1)Cc1cc(F)ccc1O ZINC000779000190 628382829 /nfs/dbraw/zinc/38/28/29/628382829.db2.gz RFUOFKYAEASSIP-UHFFFAOYSA-N 1 0 289.350 3.432 20 10 CGCDRO Cc1cc(O)c(C[N@@H+](CCN(C)C)C2CCCC2)cc1C ZINC000779173108 628392665 /nfs/dbraw/zinc/39/26/65/628392665.db2.gz AQSFUSIPHHCHOH-UHFFFAOYSA-N 1 0 290.451 3.315 20 10 CGCDRO Cc1oncc1C[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000782481992 628649422 /nfs/dbraw/zinc/64/94/22/628649422.db2.gz IDLBRPRRXFYKSU-UHFFFAOYSA-N 1 0 285.391 3.214 20 10 CGCDRO COC[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccccc1O ZINC000783515841 628720095 /nfs/dbraw/zinc/72/00/95/628720095.db2.gz CGOCGUDPGWGQLG-HOCLYGCPSA-N 1 0 285.387 3.301 20 10 CGCDRO C[C@@H]([NH2+]CC[C@H]1COc2ccccc2O1)c1ccccc1O ZINC000783519812 628720642 /nfs/dbraw/zinc/72/06/42/628720642.db2.gz UHSLKKVUHZBLTD-KGLIPLIRSA-N 1 0 299.370 3.273 20 10 CGCDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccccc2O)cc1Cl ZINC000783609996 628731664 /nfs/dbraw/zinc/73/16/64/628731664.db2.gz AGCKTFDPIKRMLH-UHFFFAOYSA-N 1 0 292.722 3.244 20 10 CGCDRO CCOc1ccc(C[NH2+]CC[C@@H]2CCO[C@H](C)C2)c(O)c1 ZINC000784647061 628827041 /nfs/dbraw/zinc/82/70/41/628827041.db2.gz NLOPSQWQULBZKO-ZIAGYGMSSA-N 1 0 293.407 3.086 20 10 CGCDRO C[C@H]1C[C@H](CC[NH2+]Cc2ccc(N(C)C)c(F)c2)CCO1 ZINC000784643675 628827143 /nfs/dbraw/zinc/82/71/43/628827143.db2.gz NPJSMKXJYIGKEC-UONOGXRCSA-N 1 0 294.414 3.187 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](C)[C@H](OC)C2)cc1 ZINC000784669256 628828548 /nfs/dbraw/zinc/82/85/48/628828548.db2.gz YWOYGZVATDSVMA-MAUKXSAKSA-N 1 0 290.451 3.390 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](CO)Cc2ccc(C)cc2)cc1C ZINC000786165196 628916995 /nfs/dbraw/zinc/91/69/95/628916995.db2.gz SYRSRQUCDMFRSN-GOSISDBHSA-N 1 0 299.414 3.005 20 10 CGCDRO CO[C@H](C)[C@H](C)[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000786575953 628949045 /nfs/dbraw/zinc/94/90/45/628949045.db2.gz ORBHPUFNYANIOR-UXCLJVHYSA-N 1 0 267.344 3.093 20 10 CGCDRO COc1ccc(C[NH2+]CC[C@H](OC)C(F)(F)F)cc1C ZINC000786823057 628965355 /nfs/dbraw/zinc/96/53/55/628965355.db2.gz FUCFTLGSVODOEK-ZDUSSCGKSA-N 1 0 291.313 3.061 20 10 CGCDRO CO[C@@H](CC[NH2+][C@H](C)c1ccccc1O)C(F)(F)F ZINC000786952846 628972463 /nfs/dbraw/zinc/97/24/63/628972463.db2.gz IRCDLQSSQPQSDN-SKDRFNHKSA-N 1 0 277.286 3.010 20 10 CGCDRO CC[C@H]1CCC[C@H]1[NH2+]Cc1cc(F)cc(C(C)=O)c1O ZINC000787994266 629038325 /nfs/dbraw/zinc/03/83/25/629038325.db2.gz FGXYBHIYTFDXJI-XHDPSFHLSA-N 1 0 279.355 3.402 20 10 CGCDRO CC(C)[C@H]([NH2+]Cc1ccccc1O)[C@H](O)c1ccccc1 ZINC000788541902 629063837 /nfs/dbraw/zinc/06/38/37/629063837.db2.gz YTNFQIOTVCXUEJ-ZWKOTPCHSA-N 1 0 285.387 3.240 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H](O)CC(C)(C)C)c(O)c1 ZINC000788606165 629068310 /nfs/dbraw/zinc/06/83/10/629068310.db2.gz YNYJCQIKVKODJL-UONOGXRCSA-N 1 0 279.424 3.457 20 10 CGCDRO COCC1(C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)CCC1 ZINC000788825700 629085302 /nfs/dbraw/zinc/08/53/02/629085302.db2.gz ZHEDDXJVDRMWKH-AWEZNQCLSA-N 1 0 277.408 3.476 20 10 CGCDRO Cc1ccc(C[N@@H+](C)Cc2cc(C)c(C)cc2O)nc1 ZINC000789595543 629149455 /nfs/dbraw/zinc/14/94/55/629149455.db2.gz VIYQTFTZYFGRIA-UHFFFAOYSA-N 1 0 270.376 3.344 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCSC2)c(O)c1C ZINC000790495817 629213748 /nfs/dbraw/zinc/21/37/48/629213748.db2.gz BUKAUOMQRVVPCV-CHWSQXEVSA-N 1 0 265.422 3.413 20 10 CGCDRO C[C@H]1C[C@H](C)[NH+]1Cc1c(O)cccc1Br ZINC000862351338 629347272 /nfs/dbraw/zinc/34/72/72/629347272.db2.gz NBYGCIFRJVBLBW-IUCAKERBSA-N 1 0 270.170 3.137 20 10 CGCDRO COc1cccc2c1CC[C@@H]([NH2+]Cc1cc(C)ccc1O)C2 ZINC000862478498 629383582 /nfs/dbraw/zinc/38/35/82/629383582.db2.gz IGOKGHGKSKLBSK-MRXNPFEDSA-N 1 0 297.398 3.356 20 10 CGCDRO C[C@@H]([NH2+]CCCCCF)c1ccc(N2CCOCC2)cc1 ZINC000792877264 629389971 /nfs/dbraw/zinc/38/99/71/629389971.db2.gz RPRSSCGTZCPSBB-OAHLLOKOSA-N 1 0 294.414 3.314 20 10 CGCDRO Oc1ccc([C@@H]2CC[N@H+](Cc3ccccc3O)C2)cc1 ZINC000862540668 629395707 /nfs/dbraw/zinc/39/57/07/629395707.db2.gz JAKNHYISKOHDQO-CQSZACIVSA-N 1 0 269.344 3.087 20 10 CGCDRO COc1ccc(O)c(C[NH2+]CCCc2ccccc2F)c1 ZINC000793345454 629445689 /nfs/dbraw/zinc/44/56/89/629445689.db2.gz CMIJNSWGGMPWQE-UHFFFAOYSA-N 1 0 289.350 3.262 20 10 CGCDRO COc1ccc(C[NH2+]C[C@@H]2C(C)=CCC[C@@H]2C)c(O)c1 ZINC000793387458 629452873 /nfs/dbraw/zinc/45/28/73/629452873.db2.gz FBKIBANBIWQQMY-XJKSGUPXSA-N 1 0 275.392 3.483 20 10 CGCDRO COc1ccc(C[NH2+]C/C=C\c2ccc(F)cc2)c(O)c1 ZINC000793389140 629453070 /nfs/dbraw/zinc/45/30/70/629453070.db2.gz XEDCIMWYANMINH-IHWYPQMZSA-N 1 0 287.334 3.343 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)c1O ZINC000793610718 629490159 /nfs/dbraw/zinc/49/01/59/629490159.db2.gz WTSQEKXVVCJHLD-GJZGRUSLSA-N 1 0 295.810 3.497 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCOC[C@H](C3CCC3)C2)c1 ZINC000793744069 629499677 /nfs/dbraw/zinc/49/96/77/629499677.db2.gz QHUBGIQJILYUMX-QGZVFWFLSA-N 1 0 289.419 3.258 20 10 CGCDRO Cc1cc(C[N@H+](Cc2ccccc2O)C2CCCC2)ncn1 ZINC000794377756 629537539 /nfs/dbraw/zinc/53/75/39/629537539.db2.gz YHGXEVNPKSMHCE-UHFFFAOYSA-N 1 0 297.402 3.435 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@H+]2C[C@@H](C)O[C@H](C3CC3)C2)c1 ZINC000794656279 629563523 /nfs/dbraw/zinc/56/35/23/629563523.db2.gz SRVHAIWJMGNHLF-CJNGLKHVSA-N 1 0 275.392 3.008 20 10 CGCDRO CC[C@H]([NH2+]CCN1CC[C@@H](C)C1)c1ccc(C)cc1O ZINC000794800642 629577942 /nfs/dbraw/zinc/57/79/42/629577942.db2.gz FKOOHRUIADJLJF-ZBFHGGJFSA-N 1 0 276.424 3.083 20 10 CGCDRO CCOC1CC2(C1)CC[N@H+](Cc1cc(C)cc(C)c1O)C2 ZINC000795721785 629712663 /nfs/dbraw/zinc/71/26/63/629712663.db2.gz VMOIACVVIFPODR-UHFFFAOYSA-N 1 0 289.419 3.400 20 10 CGCDRO Cc1ccc([C@H](O)[C@H](C)[NH2+]Cc2ccc(N(C)C)cc2)cc1 ZINC000796479805 629788230 /nfs/dbraw/zinc/78/82/30/629788230.db2.gz HHXBPCNGJJAUHV-HNAYVOBHSA-N 1 0 298.430 3.273 20 10 CGCDRO Cc1ccc([C@@H](O)[C@@H](C)[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000796480484 629788737 /nfs/dbraw/zinc/78/87/37/629788737.db2.gz MDLGPFSOTUBDPF-KUHUBIRLSA-N 1 0 297.398 3.142 20 10 CGCDRO CC[C@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(F)cc1[O-] ZINC000796675977 629813899 /nfs/dbraw/zinc/81/38/99/629813899.db2.gz ONKGRGXWRLDYFJ-HNNXBMFYSA-N 1 0 280.387 3.058 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CC[C@@H]2C2CC2)c1 ZINC000798004959 630014685 /nfs/dbraw/zinc/01/46/85/630014685.db2.gz QNLIZEHOLOKUIW-PSOPSSQASA-N 1 0 261.365 3.240 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C[C@@H](CO)CC2CCCC2)cc1 ZINC000798504098 630060582 /nfs/dbraw/zinc/06/05/82/630060582.db2.gz VDADWRYKVMEQSP-KRWDZBQOSA-N 1 0 290.451 3.031 20 10 CGCDRO COc1ccc(O)c(C[NH2+]Cc2ccc(C(F)F)nc2)c1 ZINC000865464572 630135105 /nfs/dbraw/zinc/13/51/05/630135105.db2.gz ZYAUZFSWDVJTMJ-UHFFFAOYSA-N 1 0 294.301 3.023 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H](CCO)Cc2ccccc2)c(O)c1 ZINC000799731079 630227064 /nfs/dbraw/zinc/22/70/64/630227064.db2.gz LORXTLPGEFZFLI-NVXWUHKLSA-N 1 0 299.414 3.345 20 10 CGCDRO C[C@H]([NH2+][C@@H](CCO)Cc1ccccc1)c1ccccc1O ZINC000799732235 630227457 /nfs/dbraw/zinc/22/74/57/630227457.db2.gz WTWSJBJNHMUCQP-HOCLYGCPSA-N 1 0 285.387 3.037 20 10 CGCDRO COCC1(C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)CCC1 ZINC000800493096 630287698 /nfs/dbraw/zinc/28/76/98/630287698.db2.gz JFSKGMNLQNQXOZ-DGCLKSJQSA-N 1 0 293.382 3.486 20 10 CGCDRO CC[C@H](CCO)C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808702477 630295632 /nfs/dbraw/zinc/29/56/32/630295632.db2.gz XKODKVMKJYZKFP-NWDGAFQWSA-N 1 0 285.815 3.413 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCC(C)(C)O)c1O ZINC000808713099 630296838 /nfs/dbraw/zinc/29/68/38/630296838.db2.gz FEGHOYJKWPKXST-JTQLQIEISA-N 1 0 271.788 3.166 20 10 CGCDRO c1cc(C[NH2+][C@H]2CC[C@@H]2C2CCC2)cc2c1OCC2 ZINC000800968860 630314406 /nfs/dbraw/zinc/31/44/06/630314406.db2.gz DMIISSJBGJYCRX-CVEARBPZSA-N 1 0 257.377 3.290 20 10 CGCDRO COc1cc(O)c(C[NH2+][C@@H](C)c2ccsc2)cc1OC ZINC000802655084 630403126 /nfs/dbraw/zinc/40/31/26/630403126.db2.gz PNEADIISWPTHSR-JTQLQIEISA-N 1 0 293.388 3.322 20 10 CGCDRO CCCC[N@@H+](Cc1ccccc1O)C[C@@H](C)COC ZINC000802657699 630403854 /nfs/dbraw/zinc/40/38/54/630403854.db2.gz NVPHMQJCUTZLNM-CQSZACIVSA-N 1 0 265.397 3.277 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H](CO)C(C)C)cc1 ZINC000806169096 630552504 /nfs/dbraw/zinc/55/25/04/630552504.db2.gz IBMIFVVXIIRFJH-ZBFHGGJFSA-N 1 0 278.440 3.058 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@H+]2CC[C@@H](N3CCCC3)[C@@H]2C)c1 ZINC000808193002 630630807 /nfs/dbraw/zinc/63/08/07/630630807.db2.gz TZVMMGOUNUEIQU-DOTOQJQBSA-N 1 0 288.435 3.068 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H]2CCCN2C)c1O ZINC000808680561 630663772 /nfs/dbraw/zinc/66/37/72/630663772.db2.gz LNTWJCVDBFIXET-YPMHNXCESA-N 1 0 282.815 3.099 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](O)C(C)C)c1O ZINC000808695408 630665703 /nfs/dbraw/zinc/66/57/03/630665703.db2.gz HFPJDKBXAHQKKE-GXFFZTMASA-N 1 0 271.788 3.022 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](CO)CC(F)F)c1O ZINC000808715497 630669539 /nfs/dbraw/zinc/66/95/39/630669539.db2.gz GXZNSXOGTBQFKU-SCZZXKLOSA-N 1 0 293.741 3.021 20 10 CGCDRO Cc1cnn(C)c1C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000809575156 630752113 /nfs/dbraw/zinc/75/21/13/630752113.db2.gz ZRIIISYMJRCCPE-UHFFFAOYSA-N 1 0 299.418 3.379 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CCOc2ccc(C)cc2C1 ZINC000809703344 630787142 /nfs/dbraw/zinc/78/71/42/630787142.db2.gz IXHNDVMBQJZGGD-UHFFFAOYSA-N 1 0 299.370 3.104 20 10 CGCDRO Cc1cccc(CN(CC[NH+](C)C)Cc2ccccc2)c1O ZINC000809728359 630794006 /nfs/dbraw/zinc/79/40/06/630794006.db2.gz UMULZPWJUYIEFE-UHFFFAOYSA-N 1 0 298.430 3.264 20 10 CGCDRO COc1cccc(C[NH2+]Cc2ccc3cccnc3c2)c1O ZINC000809739945 630796617 /nfs/dbraw/zinc/79/66/17/630796617.db2.gz HLZPMPJQHQJJGW-UHFFFAOYSA-N 1 0 294.354 3.239 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000809786642 630808595 /nfs/dbraw/zinc/80/85/95/630808595.db2.gz HQCXNFJJRAQHRE-ZDUSSCGKSA-N 1 0 261.365 3.023 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)cc1 ZINC000810026971 630830493 /nfs/dbraw/zinc/83/04/93/630830493.db2.gz IHXYRTFNRVLWHS-SJORKVTESA-N 1 0 288.435 3.142 20 10 CGCDRO CO[C@H](C)[C@@H](C)[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000810257252 630860029 /nfs/dbraw/zinc/86/00/29/630860029.db2.gz ORBHPUFNYANIOR-BFLSOPEQSA-N 1 0 267.344 3.093 20 10 CGCDRO COc1ccc(C[NH2+]C[C@@H]2CC(C)=C[C@@H](C)C2)c(O)c1 ZINC000811499120 631075697 /nfs/dbraw/zinc/07/56/97/631075697.db2.gz IZJPFBQWMOEYNP-OCCSQVGLSA-N 1 0 275.392 3.483 20 10 CGCDRO COc1cccc(C[NH2+]C[C@H]2CC(C)=C[C@H](C)C2)c1O ZINC000811507013 631076809 /nfs/dbraw/zinc/07/68/09/631076809.db2.gz NYTOTIJNMBXHDQ-GXTWGEPZSA-N 1 0 275.392 3.483 20 10 CGCDRO COc1cccc(C[NH2+]Cc2ccc(SC)s2)c1O ZINC000811507027 631077361 /nfs/dbraw/zinc/07/73/61/631077361.db2.gz OLRYQBGKYMEJNL-UHFFFAOYSA-N 1 0 295.429 3.474 20 10 CGCDRO CC1(C)C[N@H+](Cc2c(O)cccc2Cl)[C@@H]1[C@@H]1CCCO1 ZINC000811511061 631080835 /nfs/dbraw/zinc/08/08/35/631080835.db2.gz SZEXZVHMRFKNJU-LSDHHAIUSA-N 1 0 295.810 3.435 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc2cnn(C)c2c1)c1cc(F)ccc1O ZINC000812738319 631299968 /nfs/dbraw/zinc/29/99/68/631299968.db2.gz PAQQBGKGRRYEGV-LLVKDONJSA-N 1 0 299.349 3.269 20 10 CGCDRO COc1ccccc1C[N@H+](C)Cc1ccc(C)cc1O ZINC000876533181 634852210 /nfs/dbraw/zinc/85/22/10/634852210.db2.gz PJHTVLMUCJCJGY-UHFFFAOYSA-N 1 0 271.360 3.341 20 10 CGCDRO CC[C@H]([NH2+]Cc1snnc1C)c1cc(Cl)ccc1O ZINC000813884661 631476260 /nfs/dbraw/zinc/47/62/60/631476260.db2.gz YBLYRWSYQUXSRL-NSHDSACASA-N 1 0 297.811 3.446 20 10 CGCDRO COCC(C)(C)C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000813883888 631476857 /nfs/dbraw/zinc/47/68/57/631476857.db2.gz YRZXMAKYKPBYMU-PWSUYJOCSA-N 1 0 281.371 3.342 20 10 CGCDRO Cc1cc(C[NH2+][C@@](C)(CO)c2ccccc2)ccc1N(C)C ZINC000815041624 631706445 /nfs/dbraw/zinc/70/64/45/631706445.db2.gz LBLFVJJQFZWABI-IBGZPJMESA-N 1 0 298.430 3.058 20 10 CGCDRO Cc1cc(C[N@H+]2CC[C@H](OCC(C)C)C2)ccc1N(C)C ZINC000815060930 631708577 /nfs/dbraw/zinc/70/85/77/631708577.db2.gz GNUIXOYNFAIQGB-KRWDZBQOSA-N 1 0 290.451 3.308 20 10 CGCDRO Cc1cc(C[N@@H+]2CC[C@@H](C(F)F)C2)ccc1N(C)C ZINC000815079799 631712475 /nfs/dbraw/zinc/71/24/75/631712475.db2.gz WOVZKCONHZNPHV-CYBMUJFWSA-N 1 0 268.351 3.148 20 10 CGCDRO Cc1cc(C[N@H+]2CCSC[C@H](C)C2)ccc1N(C)C ZINC000815102560 631717426 /nfs/dbraw/zinc/71/74/26/631717426.db2.gz QCARSMYHFXWKSG-CYBMUJFWSA-N 1 0 278.465 3.246 20 10 CGCDRO CCN(C)c1ccc(C[NH+]2CCC(F)(F)CC2)cc1 ZINC000815105351 631717758 /nfs/dbraw/zinc/71/77/58/631717758.db2.gz BDPWBWGNDHEIOR-UHFFFAOYSA-N 1 0 268.351 3.374 20 10 CGCDRO Cc1cc(C[NH+]2CCC(F)(F)CC2)ccc1N(C)C ZINC000815105952 631718895 /nfs/dbraw/zinc/71/88/95/631718895.db2.gz NGUAERIDDSALRA-UHFFFAOYSA-N 1 0 268.351 3.292 20 10 CGCDRO COc1ccc(N2CCC([NH2+]CC[C@@H](C)F)CC2)cc1 ZINC000815148893 631730803 /nfs/dbraw/zinc/73/08/03/631730803.db2.gz OZTSMUXCSSRFHP-CYBMUJFWSA-N 1 0 280.387 3.002 20 10 CGCDRO CCN1CCC([NH2+][C@H](C)c2c(C)cc(C)cc2O)CC1 ZINC000815553668 631793540 /nfs/dbraw/zinc/79/35/40/631793540.db2.gz GUELYCVHQNRCPH-CQSZACIVSA-N 1 0 276.424 3.144 20 10 CGCDRO CC(C)C[NH+]1CCN(Cc2ccc3ccccc3c2O)CC1 ZINC000816481779 631989671 /nfs/dbraw/zinc/98/96/71/631989671.db2.gz IPQIPGCHVHICSN-UHFFFAOYSA-N 1 0 298.430 3.319 20 10 CGCDRO CO[C@@H]1CCC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816491167 631992192 /nfs/dbraw/zinc/99/21/92/631992192.db2.gz AWCCSAZSDGABCU-OAHLLOKOSA-N 1 0 271.360 3.156 20 10 CGCDRO C[C@H]1CCCN1CC[NH2+]Cc1ccc2ccccc2c1O ZINC000816563212 632013470 /nfs/dbraw/zinc/01/34/70/632013470.db2.gz ODVDUJUCBSFINC-AWEZNQCLSA-N 1 0 284.403 3.119 20 10 CGCDRO CN(CC[NH+]1CCCC1)Cc1ccc2ccccc2c1O ZINC000816610817 632023709 /nfs/dbraw/zinc/02/37/09/632023709.db2.gz ZQPJXADKVYIINQ-UHFFFAOYSA-N 1 0 284.403 3.073 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000816649982 632038033 /nfs/dbraw/zinc/03/80/33/632038033.db2.gz QHMGQINAYVMXMX-BBRMVZONSA-N 1 0 271.335 3.425 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C[C@H]2CC23CCSCC3)c1 ZINC000817411865 632142656 /nfs/dbraw/zinc/14/26/56/632142656.db2.gz XNAILCPSCSEICZ-CYBMUJFWSA-N 1 0 293.432 3.024 20 10 CGCDRO C[N@H+](Cc1cc(F)ccc1O)C1CC(OC(C)(C)C)C1 ZINC000817416128 632146186 /nfs/dbraw/zinc/14/61/86/632146186.db2.gz KAHVDONAWWZJGK-UHFFFAOYSA-N 1 0 281.371 3.309 20 10 CGCDRO COC1([C@@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)CCCC1 ZINC000817573913 632185710 /nfs/dbraw/zinc/18/57/10/632185710.db2.gz JBCWSMYUDYDDJH-CYBMUJFWSA-N 1 0 294.414 3.329 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccccc1 ZINC000817938074 632238042 /nfs/dbraw/zinc/23/80/42/632238042.db2.gz CUVGQCQCANHMHO-RDTXWAMCSA-N 1 0 283.419 3.103 20 10 CGCDRO CN(C)c1ccc([C@H](N)C[NH2+][C@@H]2CCCC(C)(C)C2)cc1 ZINC000817939205 632239549 /nfs/dbraw/zinc/23/95/49/632239549.db2.gz AKNKSRYZQFWWJT-NVXWUHKLSA-N 1 0 289.467 3.311 20 10 CGCDRO C[C@@H]1CCC[C@@H](C)C1[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000817941796 632240313 /nfs/dbraw/zinc/24/03/13/632240313.db2.gz KZTWPWFDPUZNNH-CKEIUWERSA-N 1 0 289.467 3.167 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1cccc(Cl)c1[O-] ZINC000817946611 632243283 /nfs/dbraw/zinc/24/32/83/632243283.db2.gz BBJCXAGCCRCKCB-HUBLWGQQSA-N 1 0 296.842 3.474 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCc2ccc(N)cc2)cc1[N+](=O)[O-] ZINC000817955503 632250502 /nfs/dbraw/zinc/25/05/02/632250502.db2.gz COIJTLODADGLJT-CYBMUJFWSA-N 1 0 299.374 3.379 20 10 CGCDRO COc1ccc2c(c1)CCC[C@H]2[NH2+]CCc1ccc(N)cc1 ZINC000817956365 632251149 /nfs/dbraw/zinc/25/11/49/632251149.db2.gz XKIFFPDPEORWFR-LJQANCHMSA-N 1 0 296.414 3.487 20 10 CGCDRO Nc1ccc(CC[NH2+][C@H]2CCc3cc(F)ccc32)cc1 ZINC000817955951 632251396 /nfs/dbraw/zinc/25/13/96/632251396.db2.gz LZDVXKTYTJLASI-KRWDZBQOSA-N 1 0 270.351 3.228 20 10 CGCDRO CCC[C@H]([NH2+]CCc1ccc(N)cc1)c1ccccn1 ZINC000817956749 632251876 /nfs/dbraw/zinc/25/18/76/632251876.db2.gz CDVFUPRSMOSFRT-INIZCTEOSA-N 1 0 269.392 3.337 20 10 CGCDRO CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000817958793 632255269 /nfs/dbraw/zinc/25/52/69/632255269.db2.gz MNHROKLXHLEQBD-SKDRFNHKSA-N 1 0 290.329 3.045 20 10 CGCDRO C[C@H]([NH2+][C@H](CN)C1CC1)c1ccc(N2CCCCC2)cc1 ZINC000817960593 632255797 /nfs/dbraw/zinc/25/57/97/632255797.db2.gz OAPNFNNBXFGDMZ-KBXCAEBGSA-N 1 0 287.451 3.065 20 10 CGCDRO C[C@@H]([NH2+]CC(C)(C)[NH3+])c1cc(Cl)c(Cl)cc1[O-] ZINC000817960523 632256790 /nfs/dbraw/zinc/25/67/90/632256790.db2.gz MLNIOZWFAXUNSP-SSDOTTSWSA-N 1 0 277.195 3.087 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817964563 632258820 /nfs/dbraw/zinc/25/88/20/632258820.db2.gz CMGYILYDHKGVOY-JMCQJSRRSA-N 1 0 289.206 3.087 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H]1NCCc2ccccc21)c1ccccc1O ZINC000817975641 632267474 /nfs/dbraw/zinc/26/74/74/632267474.db2.gz XFAPKOGEKGLMCR-ROUUACIJSA-N 1 0 296.414 3.320 20 10 CGCDRO C[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000817977446 632268483 /nfs/dbraw/zinc/26/84/83/632268483.db2.gz KLKSMDQDOMKAHJ-UWVGGRQHSA-N 1 0 290.329 3.189 20 10 CGCDRO CC[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccc(F)cc1[O-] ZINC000817980642 632271892 /nfs/dbraw/zinc/27/18/92/632271892.db2.gz LZOJEGNJXGFBGO-UKRRQHHQSA-N 1 0 280.387 3.104 20 10 CGCDRO CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818342677 632311211 /nfs/dbraw/zinc/31/12/11/632311211.db2.gz UPBAKFHPYHYVFT-DAYGRLMNSA-N 1 0 288.435 3.300 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H]2C[C@H]2C(F)(F)F)cc1 ZINC000865753655 632878359 /nfs/dbraw/zinc/87/83/59/632878359.db2.gz LJMNLRWOFWHBLP-JHZNUDOXSA-N 1 0 284.325 3.306 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CCC23CCOCC3)cc1 ZINC000865778250 632887529 /nfs/dbraw/zinc/88/75/29/632887529.db2.gz HVHOIUZHVFEJDO-INIZCTEOSA-N 1 0 288.435 3.049 20 10 CGCDRO C[C@H]([NH2+][C@@H](C)[C@H](O)C(F)(F)F)c1cc(Cl)ccc1O ZINC000866462891 633144367 /nfs/dbraw/zinc/14/43/67/633144367.db2.gz CLAUNCMGXDWZTA-HFJPGXAFSA-N 1 0 297.704 3.008 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccnc(F)c2)c1 ZINC000866473183 633147669 /nfs/dbraw/zinc/14/76/69/633147669.db2.gz MBHNCTOIAFDBPE-LLVKDONJSA-N 1 0 260.312 3.086 20 10 CGCDRO CC[C@@H]([NH2+][C@H]1C[C@H](SC)C1)c1ccccc1O ZINC000866487695 633156906 /nfs/dbraw/zinc/15/69/06/633156906.db2.gz FLMIVUBQIIBIIY-NQBHXWOUSA-N 1 0 251.395 3.327 20 10 CGCDRO CC[C@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)cc2C)CCO1 ZINC000823851711 633159042 /nfs/dbraw/zinc/15/90/42/633159042.db2.gz XBRRLWXLHNQYFY-WBVHZDCISA-N 1 0 276.424 3.108 20 10 CGCDRO CC[C@H]([NH2+]CCN1CCC[C@H](C)C1)c1ccccc1O ZINC000121102180 633171157 /nfs/dbraw/zinc/17/11/57/633171157.db2.gz HFFZXJBSUQCPEN-HOCLYGCPSA-N 1 0 276.424 3.165 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1c2ccccc2CN1C)c1ccccc1O ZINC000866561858 633192001 /nfs/dbraw/zinc/19/20/01/633192001.db2.gz AFCDSQHDNPIAFA-GUYCJALGSA-N 1 0 282.387 3.230 20 10 CGCDRO C[C@H]([NH2+]Cc1cc(C2CC2)nn1C)c1ccc(N(C)C)cc1 ZINC000824195375 633211019 /nfs/dbraw/zinc/21/10/19/633211019.db2.gz CBZXWTNLDLZEOX-ZDUSSCGKSA-N 1 0 298.434 3.214 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCCn2nccc21)c1ccc(Cl)cc1O ZINC000866633146 633222547 /nfs/dbraw/zinc/22/25/47/633222547.db2.gz FZXMMVOURNXIOH-ZWNOBZJWSA-N 1 0 291.782 3.428 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCn3nccc32)c1 ZINC000866634345 633223240 /nfs/dbraw/zinc/22/32/40/633223240.db2.gz QWDHXXMRTYRQBH-GXTWGEPZSA-N 1 0 271.364 3.083 20 10 CGCDRO C[C@H]([NH2+]Cc1cc2c([nH]c1=O)CCCC2)c1ccccc1O ZINC000866642021 633228280 /nfs/dbraw/zinc/22/82/80/633228280.db2.gz ZUASBRVJYOLCKB-LBPRGKRZSA-N 1 0 298.386 3.222 20 10 CGCDRO CC(C)[N@H+](Cc1ccc(N2CCCCC2)cc1)C1COC1 ZINC000824471882 633248748 /nfs/dbraw/zinc/24/87/48/633248748.db2.gz IHBORIMVMNEHMA-UHFFFAOYSA-N 1 0 288.435 3.286 20 10 CGCDRO Cc1cc(O)c(C[N@@H+](C)[C@H]2CCSC2)cc1Cl ZINC000824556399 633259092 /nfs/dbraw/zinc/25/90/92/633259092.db2.gz RGVKLLQIAIBVBU-NSHDSACASA-N 1 0 271.813 3.291 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CCC(C)(C)CO)cc1F ZINC000824602742 633262878 /nfs/dbraw/zinc/26/28/78/633262878.db2.gz DHDODBUZCVFFHB-UHFFFAOYSA-N 1 0 296.430 3.170 20 10 CGCDRO CS[C@H]1CC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000824683485 633272026 /nfs/dbraw/zinc/27/20/26/633272026.db2.gz LNRYXJFEKVSSKG-AWEZNQCLSA-N 1 0 273.401 3.483 20 10 CGCDRO CCOCc1cc(C[NH2+][C@@H](C)C2CC2)ccc1OC ZINC000824691136 633273613 /nfs/dbraw/zinc/27/36/13/633273613.db2.gz UXDPHFHXHYCKBJ-LBPRGKRZSA-N 1 0 263.381 3.120 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CCOC3(CCC3)C2)cc1 ZINC000824750061 633282663 /nfs/dbraw/zinc/28/26/63/633282663.db2.gz BXTSEYPCKPEAJT-INIZCTEOSA-N 1 0 288.435 3.192 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C[C@]2(C)CC2(Cl)Cl)c1 ZINC000824765537 633285562 /nfs/dbraw/zinc/28/55/62/633285562.db2.gz NFLSBABBANEOTD-LBPRGKRZSA-N 1 0 290.190 3.074 20 10 CGCDRO COC[C@H]1CCCC[N@@H+]1Cc1cc(C)c(C)cc1O ZINC000825293960 633342458 /nfs/dbraw/zinc/34/24/58/633342458.db2.gz FWBZGRYXGYNDIK-OAHLLOKOSA-N 1 0 263.381 3.010 20 10 CGCDRO CCO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000825299181 633343366 /nfs/dbraw/zinc/34/33/66/633343366.db2.gz FCGLLCHLVFFSCW-SRCQZFHVSA-N 1 0 293.407 3.399 20 10 CGCDRO CC(C)[N@@H+]1CC[C@@H](N(C)Cc2ccc3ccccc3c2O)C1 ZINC000825337482 633346954 /nfs/dbraw/zinc/34/69/54/633346954.db2.gz GSSNXTRYFHYBOQ-QGZVFWFLSA-N 1 0 298.430 3.460 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCCSC2)cc1Cl ZINC000825331112 633347094 /nfs/dbraw/zinc/34/70/94/633347094.db2.gz IMGYZJGIHHSIJG-NSHDSACASA-N 1 0 271.813 3.339 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CC[C@@H]2CCCCO2)cc1Cl ZINC000825475807 633356849 /nfs/dbraw/zinc/35/68/49/633356849.db2.gz VRKNVWQAXPDACH-ZDUSSCGKSA-N 1 0 283.799 3.403 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCOCC2CCC2)cc1Cl ZINC000825525338 633362075 /nfs/dbraw/zinc/36/20/75/633362075.db2.gz BUBROSJRNZGWIA-UHFFFAOYSA-N 1 0 283.799 3.260 20 10 CGCDRO C[C@@H]1C[C@H](C)[N@H+]1Cc1ccc(Br)cc1O ZINC000825738556 633379464 /nfs/dbraw/zinc/37/94/64/633379464.db2.gz PRSLFANKNPWKPL-DTORHVGOSA-N 1 0 270.170 3.137 20 10 CGCDRO COC1(CC[NH2+]Cc2cc(Cl)c(C)cc2O)CCC1 ZINC000826011796 633396650 /nfs/dbraw/zinc/39/66/50/633396650.db2.gz IHZRJISREGPDOU-UHFFFAOYSA-N 1 0 283.799 3.403 20 10 CGCDRO Cc1ccncc1C[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000826064970 633401847 /nfs/dbraw/zinc/40/18/47/633401847.db2.gz RUTVRBBWURGPDV-UHFFFAOYSA-N 1 0 276.767 3.347 20 10 CGCDRO CO[C@@H]([C@@H](C)[NH2+]Cc1cc(Cl)c(C)cc1O)C1CC1 ZINC000826089360 633404028 /nfs/dbraw/zinc/40/40/28/633404028.db2.gz FRJOQWWOQGNRBI-BMIGLBTASA-N 1 0 283.799 3.257 20 10 CGCDRO CCn1cc([C@H](C)[NH2+]Cc2cc(Cl)c(C)cc2O)cn1 ZINC000826097274 633404878 /nfs/dbraw/zinc/40/48/78/633404878.db2.gz WURUGICCXYUDHB-NSHDSACASA-N 1 0 293.798 3.421 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCN2C(C)(C)C)cc1Cl ZINC000826791654 633433665 /nfs/dbraw/zinc/43/36/65/633433665.db2.gz YXCNTFOQQCZHHU-CYBMUJFWSA-N 1 0 296.842 3.316 20 10 CGCDRO Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](C)O[C@@H](C)C2)c1O ZINC000827371170 633486228 /nfs/dbraw/zinc/48/62/28/633486228.db2.gz QRNSQBBAXPIQFC-NEPJUHHUSA-N 1 0 283.799 3.353 20 10 CGCDRO Cc1cccc(C[NH+]2CCC([C@H]3CCCCO3)CC2)c1O ZINC000827376858 633486741 /nfs/dbraw/zinc/48/67/41/633486741.db2.gz JJZKXHBASFLXMK-QGZVFWFLSA-N 1 0 289.419 3.482 20 10 CGCDRO C[N@H+](CC1=CCSC1)Cc1cccc(Cl)c1[O-] ZINC000827805024 633518676 /nfs/dbraw/zinc/51/86/76/633518676.db2.gz DSTDTTBRVJMQJR-UHFFFAOYSA-N 1 0 269.797 3.151 20 10 CGCDRO Cc1cccc(C[N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)c1O ZINC000827849183 633525433 /nfs/dbraw/zinc/52/54/33/633525433.db2.gz CNXJIPZMRDNDRR-HDICACEKSA-N 1 0 287.403 3.093 20 10 CGCDRO COC[C@@H](CC(C)C)[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000845972134 636126354 /nfs/dbraw/zinc/12/63/54/636126354.db2.gz PEIVBBVOMQMTNR-CHWSQXEVSA-N 1 0 281.396 3.113 20 10 CGCDRO COc1ccc(C[NH2+][C@H](C)[C@@](C)(O)c2ccccc2)cc1C ZINC000846038543 636134770 /nfs/dbraw/zinc/13/47/70/636134770.db2.gz MURUZVUNALLJPD-DNVCBOLYSA-N 1 0 299.414 3.389 20 10 CGCDRO CC[C@@H]([NH2+]CCC[C@@H]1CCOC1=O)c1ccc(C)cc1O ZINC000872114910 634040535 /nfs/dbraw/zinc/04/05/35/634040535.db2.gz YRVXAQDVCWETHJ-UKRRQHHQSA-N 1 0 291.391 3.085 20 10 CGCDRO CC[C@@H]([NH2+]CCC1(CO)CCC1)c1ccc(N(C)C)cc1 ZINC000846209588 636159497 /nfs/dbraw/zinc/15/94/97/636159497.db2.gz FUXYRKFVMYYRFD-QGZVFWFLSA-N 1 0 290.451 3.346 20 10 CGCDRO C[C@@H]([NH2+][C@@H](CO)CCF)c1ccc(N2CCCCC2)cc1 ZINC000846209734 636159552 /nfs/dbraw/zinc/15/95/52/636159552.db2.gz TYINELOBUUALQW-GDBMZVCRSA-N 1 0 294.414 3.048 20 10 CGCDRO Cc1nccnc1[C@H](C)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000872134077 634057828 /nfs/dbraw/zinc/05/78/28/634057828.db2.gz RAPZDGLKTUTKGH-KOLCDFICSA-N 1 0 275.327 3.042 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]C[C@](C)(O)CCC(C)C)c1 ZINC000124018387 634095819 /nfs/dbraw/zinc/09/58/19/634095819.db2.gz ZTFAQQFTTPHXIK-QGZVFWFLSA-N 1 0 295.423 3.068 20 10 CGCDRO COc1cc(C[N@H+]2C[C@@H]3CC=CC[C@@H]3C2)c(O)cc1C ZINC000872713154 634193540 /nfs/dbraw/zinc/19/35/40/634193540.db2.gz LABSIZCDLCQWFJ-OKILXGFUSA-N 1 0 273.376 3.107 20 10 CGCDRO Cc1noc(C)c1CCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834620147 634199086 /nfs/dbraw/zinc/19/90/86/634199086.db2.gz OAJPCVHFAJQRQB-OAHLLOKOSA-N 1 0 286.375 3.207 20 10 CGCDRO CSc1cc(C[NH2+][C@@H]2CCc3cccc(O)c32)ccn1 ZINC000834629696 634202389 /nfs/dbraw/zinc/20/23/89/634202389.db2.gz OAKPMFZFEFXVNM-CYBMUJFWSA-N 1 0 286.400 3.286 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@@H]2CCCOC2)cc1C ZINC000873046513 634237858 /nfs/dbraw/zinc/23/78/58/634237858.db2.gz MPCFWYGMHRHZHZ-OAHLLOKOSA-N 1 0 263.381 3.052 20 10 CGCDRO COc1ccc(C[NH2+]C(C)(C)C2CC2)cc1Cn1cccn1 ZINC000873060777 634238842 /nfs/dbraw/zinc/23/88/42/634238842.db2.gz NABAFGUNVJCQEX-UHFFFAOYSA-N 1 0 299.418 3.218 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@@H](C)[C@@H]2CCOC2)cc1C ZINC000873061439 634239426 /nfs/dbraw/zinc/23/94/26/634239426.db2.gz JTIBCFLCJFABMA-GOEBONIOSA-N 1 0 277.408 3.298 20 10 CGCDRO CCCOc1ccc(C[NH2+]CC[C@H](C)[S@@](C)=O)cc1C ZINC000873080584 634242778 /nfs/dbraw/zinc/24/27/78/634242778.db2.gz QBTMPFUQIANQQX-VBKZILBWSA-N 1 0 297.464 3.031 20 10 CGCDRO C[C@@H]([NH2+]CC[C@H](C)CCO)c1cc2c(cc1O)CCCC2 ZINC000834830255 634250852 /nfs/dbraw/zinc/25/08/52/634250852.db2.gz BCMZBCCURQYGSV-UONOGXRCSA-N 1 0 291.435 3.330 20 10 CGCDRO CC[C@@H]([NH2+][C@H]1CCn2ccnc21)c1ccc(C)cc1O ZINC000834830605 634250885 /nfs/dbraw/zinc/25/08/85/634250885.db2.gz FPAHIVSKFIPFIJ-KGLIPLIRSA-N 1 0 271.364 3.083 20 10 CGCDRO CO[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000834886800 634267405 /nfs/dbraw/zinc/26/74/05/634267405.db2.gz NAZMGIFRJSPHDO-XHBKTUGNSA-N 1 0 289.419 3.489 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CC2(CF)CCOCC2)c(O)c1C ZINC000834886315 634267708 /nfs/dbraw/zinc/26/77/08/634267708.db2.gz RTDXYXDNIBCVGY-AWEZNQCLSA-N 1 0 295.398 3.426 20 10 CGCDRO CO[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000834887618 634269149 /nfs/dbraw/zinc/26/91/49/634269149.db2.gz WHCWHBXYCYADDO-BPLDGKMQSA-N 1 0 263.381 3.227 20 10 CGCDRO CCn1ccnc1[C@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000834894797 634271737 /nfs/dbraw/zinc/27/17/37/634271737.db2.gz MGRQFQFJBYZTRZ-NEPJUHHUSA-N 1 0 259.353 3.020 20 10 CGCDRO CC[C@@H]([NH2+][C@H]1COCC1(C)C)c1ccc(N(C)C)cc1 ZINC000834903528 634279814 /nfs/dbraw/zinc/27/98/14/634279814.db2.gz JUGDPDWGHZPGPO-CVEARBPZSA-N 1 0 276.424 3.218 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](O)C2CCC2)c1O ZINC000834906933 634283603 /nfs/dbraw/zinc/28/36/03/634283603.db2.gz UPDKCYGYIWYXQP-IINYFYTJSA-N 1 0 283.799 3.166 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@@H](C)O2)c(O)c1C ZINC000834915574 634286318 /nfs/dbraw/zinc/28/63/18/634286318.db2.gz QVEQOSIGBOAQFT-XBFCOCLRSA-N 1 0 263.381 3.227 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)c1cc2c(cc1O)CCCC2 ZINC000834914253 634286385 /nfs/dbraw/zinc/28/63/85/634286385.db2.gz BWGKHVZCJLIPHU-IOASZLSFSA-N 1 0 289.419 3.489 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)C1CC[NH2+]CC1)c1cccc(Cl)c1[O-] ZINC000873268746 634311569 /nfs/dbraw/zinc/31/15/69/634311569.db2.gz GSOJBSHAURDCBQ-ABAIWWIYSA-N 1 0 296.842 3.474 20 10 CGCDRO CN(C)c1ccc(/C=C\C[N@H+](CCO)CC(C)(C)C)cc1 ZINC000835024911 634324189 /nfs/dbraw/zinc/32/41/89/634324189.db2.gz AVGZMFCECYGMGM-SREVYHEPSA-N 1 0 290.451 3.106 20 10 CGCDRO CCC[N@H+](C/C=C/c1ccc(N(C)C)cc1)CC(C)(C)O ZINC000835027299 634325374 /nfs/dbraw/zinc/32/53/74/634325374.db2.gz KSTOVFVAAFZKGA-BQYQJAHWSA-N 1 0 290.451 3.249 20 10 CGCDRO CN(C)c1ccc(/C=C\C[N@H+](C)CCOCC2CC2)cc1 ZINC000835027416 634325574 /nfs/dbraw/zinc/32/55/74/634325574.db2.gz DJFLMMSULCBXFW-PLNGDYQASA-N 1 0 288.435 3.124 20 10 CGCDRO Cc1nn(C)cc1[C@H](C)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835036665 634328420 /nfs/dbraw/zinc/32/84/20/634328420.db2.gz DQMBXKMMSVOWII-UZYOAWRESA-N 1 0 298.434 3.159 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+]C2CCSCC2)cc1 ZINC000835037381 634328587 /nfs/dbraw/zinc/32/85/87/634328587.db2.gz JVGKIPJZXILRCK-ARJAWSKDSA-N 1 0 276.449 3.251 20 10 CGCDRO CC[C@H](CSC)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835042231 634330229 /nfs/dbraw/zinc/33/02/29/634330229.db2.gz FLNSETAJMGDMLS-LQYUOIDQSA-N 1 0 278.465 3.497 20 10 CGCDRO C[C@H]1CSCC[N@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835048371 634334434 /nfs/dbraw/zinc/33/44/34/634334434.db2.gz HNWMBUSBJDFSBG-MBVDDHJVSA-N 1 0 290.476 3.451 20 10 CGCDRO CCOCC(C)(C)C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835052693 634337322 /nfs/dbraw/zinc/33/73/22/634337322.db2.gz IVRYVWIVVSFGQX-FPLPWBNLSA-N 1 0 290.451 3.418 20 10 CGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@H]2C2CC2)cc1 ZINC000835053948 634337863 /nfs/dbraw/zinc/33/78/63/634337863.db2.gz GDUNFAMOJMVDIK-LIMHQNJXSA-N 1 0 256.393 3.250 20 10 CGCDRO CCOc1ccc(C[NH2+]C[C@H]2CCOC(C)(C)C2)c(O)c1 ZINC000835060609 634341583 /nfs/dbraw/zinc/34/15/83/634341583.db2.gz RZCNDDBJXJCFOR-ZDUSSCGKSA-N 1 0 293.407 3.086 20 10 CGCDRO CCOc1cccc(C[NH2+]C[C@@H]2CCOC(C)(C)C2)c1O ZINC000835060732 634341776 /nfs/dbraw/zinc/34/17/76/634341776.db2.gz VIQIQJWUKJEEJU-CYBMUJFWSA-N 1 0 293.407 3.086 20 10 CGCDRO CC(C)[C@@H]([NH2+]Cc1ccccc1O)C1(CO)CCCC1 ZINC000835066730 634344253 /nfs/dbraw/zinc/34/42/53/634344253.db2.gz SPDGJBUOVCNWLV-MRXNPFEDSA-N 1 0 277.408 3.059 20 10 CGCDRO CC(C)[NH+](CCNCc1cc(Cl)ccc1O)C(C)C ZINC000019901094 634364176 /nfs/dbraw/zinc/36/41/76/634364176.db2.gz IUXONTDJAMAJCJ-UHFFFAOYSA-N 1 0 284.831 3.254 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCOC[C@H]1c1ccccc1 ZINC000876771638 634897120 /nfs/dbraw/zinc/89/71/20/634897120.db2.gz VSTQQMMLNVRELV-KRWDZBQOSA-N 1 0 283.371 3.274 20 10 CGCDRO Cc1cccc(O)c1C[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000876891027 634922666 /nfs/dbraw/zinc/92/26/66/634922666.db2.gz OKMBFRKEZIJJMA-KRWDZBQOSA-N 1 0 296.414 3.065 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]CCc1cccc(F)c1 ZINC000876900170 634925070 /nfs/dbraw/zinc/92/50/70/634925070.db2.gz FOPKSYINZSHESG-UHFFFAOYSA-N 1 0 259.324 3.172 20 10 CGCDRO CCOc1ccc(C[NH2+]Cc2c(C)cccc2O)cc1 ZINC000876968991 634939808 /nfs/dbraw/zinc/93/98/08/634939808.db2.gz VWCIVZMMQIQXAF-UHFFFAOYSA-N 1 0 271.360 3.389 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H](CCCO)c2ccccc2)c(O)c1 ZINC000877055689 634965824 /nfs/dbraw/zinc/96/58/24/634965824.db2.gz NVZCRRHGUGQPTH-KRWDZBQOSA-N 1 0 285.387 3.304 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc(C)cc1O)c1c(C)nn(C)c1C ZINC000877071581 634971460 /nfs/dbraw/zinc/97/14/60/634971460.db2.gz ANKFYBSRQHKBGB-OAHLLOKOSA-N 1 0 287.407 3.292 20 10 CGCDRO Cc1ccc(C[NH2+]C[C@@]2(C)CCCS2)c(O)c1 ZINC000877085806 634980471 /nfs/dbraw/zinc/98/04/71/634980471.db2.gz XQHRMJNFXBDKCH-CQSZACIVSA-N 1 0 251.395 3.076 20 10 CGCDRO Cc1noc(C)c1[C@@H](C)C[NH2+]Cc1ccc(C)cc1O ZINC000877112089 634987380 /nfs/dbraw/zinc/98/73/80/634987380.db2.gz OSEKCQARBRVVTP-NSHDSACASA-N 1 0 274.364 3.199 20 10 CGCDRO Cc1ccc(C[N@H+](CCO)Cc2ccc(C)cc2O)cc1 ZINC000877197107 635013131 /nfs/dbraw/zinc/01/31/31/635013131.db2.gz ORIBXUMATXJJGH-UHFFFAOYSA-N 1 0 285.387 3.004 20 10 CGCDRO CCCN(Cc1cc(OC)ns1)c1ccc(C[NH3+])cc1 ZINC000877479813 635051967 /nfs/dbraw/zinc/05/19/67/635051967.db2.gz YCLPEBYWQHOVAI-UHFFFAOYSA-N 1 0 291.420 3.027 20 10 CGCDRO CCCN(Cc1ccns1)c1ccc(C[NH3+])cc1 ZINC000877478044 635052665 /nfs/dbraw/zinc/05/26/65/635052665.db2.gz KJJLHWAVJDPHEZ-UHFFFAOYSA-N 1 0 261.394 3.018 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccn(C)n2)c(O)c1C ZINC000840816730 635057915 /nfs/dbraw/zinc/05/79/15/635057915.db2.gz OWFAINAKSXLVDU-STQMWFEESA-N 1 0 273.380 3.154 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H](C)CCOC)c1ccccc1O ZINC000840835790 635060954 /nfs/dbraw/zinc/06/09/54/635060954.db2.gz QNQNRQCUQFNSGY-TZMCWYRMSA-N 1 0 251.370 3.106 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]CC[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000877504565 635064586 /nfs/dbraw/zinc/06/45/86/635064586.db2.gz HGEKOIHSDYMWTG-QDMKHBRRSA-N 1 0 277.408 3.384 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)[C@@](C)(OC)C2CC2)c1 ZINC000840858634 635066552 /nfs/dbraw/zinc/06/65/52/635066552.db2.gz FQHHEQPIJSOFTL-NVGCLXPQSA-N 1 0 293.407 3.255 20 10 CGCDRO Cc1cc(O)c(CNC2CC[NH+](C(C)C)CC2)c(Cl)c1 ZINC000840871057 635069285 /nfs/dbraw/zinc/06/92/85/635069285.db2.gz BISJQROLNWDNID-UHFFFAOYSA-N 1 0 296.842 3.316 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2C[C@@H](C)O[C@H]2C)c(O)c1 ZINC000840870974 635069546 /nfs/dbraw/zinc/06/95/46/635069546.db2.gz BAHGCJQGENJWBM-QPSCCSFWSA-N 1 0 277.408 3.473 20 10 CGCDRO CC[N@H+](Cc1ccncc1)Cc1c(C)cccc1O ZINC000877523710 635070715 /nfs/dbraw/zinc/07/07/15/635070715.db2.gz MESNFBXBIMZGFJ-UHFFFAOYSA-N 1 0 256.349 3.118 20 10 CGCDRO Cc1ncc(C[NH2+]Cc2c(O)cc(C)cc2Cl)s1 ZINC000840888940 635076317 /nfs/dbraw/zinc/07/63/17/635076317.db2.gz BJNUFYFXSJELDD-UHFFFAOYSA-N 1 0 282.796 3.409 20 10 CGCDRO Cc1cc(O)c(C[NH2+]Cc2cccc(CO)c2)c(Cl)c1 ZINC000840890938 635076398 /nfs/dbraw/zinc/07/63/98/635076398.db2.gz DQACSQAWUFQDME-UHFFFAOYSA-N 1 0 291.778 3.136 20 10 CGCDRO CC[C@@H](C)[C@@](C)(O)C[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840898605 635078243 /nfs/dbraw/zinc/07/82/43/635078243.db2.gz YWUHKVKAPFZKEO-ABAIWWIYSA-N 1 0 285.815 3.241 20 10 CGCDRO Cc1occc1C[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840899720 635078353 /nfs/dbraw/zinc/07/83/53/635078353.db2.gz XZEMUFQRGXVDQX-UHFFFAOYSA-N 1 0 258.365 3.252 20 10 CGCDRO CSC[C@H]1CCC[N@H+](Cc2c(C)cccc2O)C1 ZINC000877547571 635082597 /nfs/dbraw/zinc/08/25/97/635082597.db2.gz BIPNBIGQWRWTAM-ZDUSSCGKSA-N 1 0 265.422 3.276 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2CCC[C@@H]2C[C@@H](C)O)c(Cl)c1 ZINC000840917752 635083109 /nfs/dbraw/zinc/08/31/09/635083109.db2.gz MEABOKBMVOQSMQ-VXGBXAGGSA-N 1 0 283.799 3.089 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cc(C(C)C)no1 ZINC000840934586 635084984 /nfs/dbraw/zinc/08/49/84/635084984.db2.gz UAKZTKHPZRIVNY-UHFFFAOYSA-N 1 0 287.407 3.462 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@H+](C)Cc1ccccn1 ZINC000840940213 635087302 /nfs/dbraw/zinc/08/73/02/635087302.db2.gz WYNXKEKMVMEROH-UHFFFAOYSA-N 1 0 269.392 3.088 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C2CC(F)(F)C2)c(Cl)c1 ZINC000840942038 635088358 /nfs/dbraw/zinc/08/83/58/635088358.db2.gz QFPRSIWYPXUKBX-UHFFFAOYSA-N 1 0 261.699 3.241 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2ccnc(C(F)(F)F)c2)c(O)c1 ZINC000877561136 635091332 /nfs/dbraw/zinc/09/13/32/635091332.db2.gz CQUMINFFJXYSSN-UHFFFAOYSA-N 1 0 296.292 3.404 20 10 CGCDRO CO[C@](C)([C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1C)C1CC1 ZINC000840961691 635094414 /nfs/dbraw/zinc/09/44/14/635094414.db2.gz XTTAJMLCIQDAPX-RDTXWAMCSA-N 1 0 290.451 3.354 20 10 CGCDRO CC(C)[C@@H]1[N@H+](Cc2ccccc2O)CC12CCOCC2 ZINC000840969786 635097408 /nfs/dbraw/zinc/09/74/08/635097408.db2.gz MVWQBBYGJGLUTB-INIZCTEOSA-N 1 0 275.392 3.029 20 10 CGCDRO Cc1ccc(C[NH2+][C@H](C)Cc2ccc(N(C)C)cc2C)nc1 ZINC000840976584 635099317 /nfs/dbraw/zinc/09/93/17/635099317.db2.gz OHCBMRHOMQOMAG-MRXNPFEDSA-N 1 0 297.446 3.485 20 10 CGCDRO CCC([NH3+])(CC)C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000841031045 635109125 /nfs/dbraw/zinc/10/91/25/635109125.db2.gz OIYOWGWAWFRFQK-UHFFFAOYSA-N 1 0 291.222 3.306 20 10 CGCDRO C[C@@H](C[NH2+]CCc1ccc(N)cc1)c1ccccc1 ZINC000841034522 635110223 /nfs/dbraw/zinc/11/02/23/635110223.db2.gz HCTCSRRYZPXJIM-AWEZNQCLSA-N 1 0 254.377 3.205 20 10 CGCDRO C[NH2+]Cc1ccccc1NCc1cc(C)c(C)cc1O ZINC000841042501 635113626 /nfs/dbraw/zinc/11/36/26/635113626.db2.gz JFPNVYNHWLIONI-UHFFFAOYSA-N 1 0 270.376 3.341 20 10 CGCDRO CN(C)c1ccc([C@H](N)C[NH2+]C2CCC(C)(C)CC2)cc1 ZINC000841045357 635114358 /nfs/dbraw/zinc/11/43/58/635114358.db2.gz KFEAMGRBZREOFT-QGZVFWFLSA-N 1 0 289.467 3.311 20 10 CGCDRO C[C@H]1CN(Cc2ccccc2O)c2cc(F)ccc2C[NH2+]1 ZINC000841047523 635114565 /nfs/dbraw/zinc/11/45/65/635114565.db2.gz QNGIGRUVIKVGDF-LBPRGKRZSA-N 1 0 286.350 3.030 20 10 CGCDRO CC[C@H](C)CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877624325 635118318 /nfs/dbraw/zinc/11/83/18/635118318.db2.gz NGHQCBUFSWGUQD-HNNXBMFYSA-N 1 0 290.451 3.174 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000841088532 635119743 /nfs/dbraw/zinc/11/97/43/635119743.db2.gz YZYHVKYWKXSMMA-IUODEOHRSA-N 1 0 294.826 3.010 20 10 CGCDRO COCC1(C2CC2)C[NH+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000877685959 635146067 /nfs/dbraw/zinc/14/60/67/635146067.db2.gz IZAQKUVGVRBRFN-UHFFFAOYSA-N 1 0 295.810 3.212 20 10 CGCDRO Cc1nc(F)ccc1C[NH2+][C@H](C)c1ccccc1O ZINC000877756011 635185391 /nfs/dbraw/zinc/18/53/91/635185391.db2.gz YHOPHPYQNRQGTC-LLVKDONJSA-N 1 0 260.312 3.086 20 10 CGCDRO C[C@H](CCc1cccnc1)[NH2+][C@H](C)c1ccccc1O ZINC000877757473 635185746 /nfs/dbraw/zinc/18/57/46/635185746.db2.gz KLESCTHJTOFKIK-ZIAGYGMSSA-N 1 0 270.376 3.459 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1)c1ccccc1O ZINC000877758063 635187504 /nfs/dbraw/zinc/18/75/04/635187504.db2.gz HQZHHBOXVLAYCM-CWSCBRNRSA-N 1 0 289.297 3.153 20 10 CGCDRO CCN(CC)C[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841747129 635223600 /nfs/dbraw/zinc/22/36/00/635223600.db2.gz ODUUMQKBLMWJMG-NEPJUHHUSA-N 1 0 284.831 3.427 20 10 CGCDRO C[C@@H]([NH2+][C@@H](CO)CC(F)(F)F)c1ccc(Cl)cc1O ZINC000841747349 635223677 /nfs/dbraw/zinc/22/36/77/635223677.db2.gz AOFFAZSKUPPPEE-VXNVDRBHSA-N 1 0 297.704 3.010 20 10 CGCDRO C[C@@H]([NH2+][C@H](CO)CC(F)(F)F)c1ccc(Cl)cc1O ZINC000841747342 635224121 /nfs/dbraw/zinc/22/41/21/635224121.db2.gz AOFFAZSKUPPPEE-APPZFPTMSA-N 1 0 297.704 3.010 20 10 CGCDRO CC(C)[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1O)C(C)(C)O ZINC000841752350 635225095 /nfs/dbraw/zinc/22/50/95/635225095.db2.gz OQMXGBBSJAOPNE-HZMBPMFUSA-N 1 0 285.815 3.492 20 10 CGCDRO CO[C@@H](C[NH2+][C@H](C)c1cc(F)ccc1O)CC(C)C ZINC000841755334 635228815 /nfs/dbraw/zinc/22/88/15/635228815.db2.gz JHHFSHNEPYEQBT-DGCLKSJQSA-N 1 0 269.360 3.243 20 10 CGCDRO CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841759022 635232702 /nfs/dbraw/zinc/23/27/02/635232702.db2.gz WZOUTKXPLUZUIV-KXUCPTDWSA-N 1 0 257.761 3.120 20 10 CGCDRO CC[C@H]([NH2+]Cc1cccc(C)c1O)[C@H](O)c1ccccc1 ZINC000877831980 635233432 /nfs/dbraw/zinc/23/34/32/635233432.db2.gz DIEKKXVPROKAHT-FUHWJXTLSA-N 1 0 285.387 3.302 20 10 CGCDRO C[C@H]([NH2+][C@H](CO)c1ccccc1)c1ccc(Cl)cc1O ZINC000841765577 635234401 /nfs/dbraw/zinc/23/44/01/635234401.db2.gz ZUNGWHYNPAEERH-XHDPSFHLSA-N 1 0 291.778 3.430 20 10 CGCDRO CCC[N@H+](CC[C@H](O)C(C)C)Cc1ccccc1O ZINC000878150640 635379733 /nfs/dbraw/zinc/37/97/33/635379733.db2.gz GQLZMHGRXIYFPF-HNNXBMFYSA-N 1 0 265.397 3.011 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)cc1C ZINC000842612574 635418367 /nfs/dbraw/zinc/41/83/67/635418367.db2.gz JVQIVKQHIDVVKM-NVXWUHKLSA-N 1 0 289.419 3.400 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2CC[C@@H](OC(C)C)C2)cc1C ZINC000842613340 635418509 /nfs/dbraw/zinc/41/85/09/635418509.db2.gz ZBOLEYCPNFRKPU-OAHLLOKOSA-N 1 0 263.381 3.008 20 10 CGCDRO C=C/C=C\CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000878358060 635474466 /nfs/dbraw/zinc/47/44/66/635474466.db2.gz LBGNFIRMNIQIAF-AWFCHZOYSA-N 1 0 286.419 3.306 20 10 CGCDRO CC[C@H](C)C[C@H](CO)[NH2+][C@H](C)c1cc(C)ccc1O ZINC000842919952 635511805 /nfs/dbraw/zinc/51/18/05/635511805.db2.gz XEJFNPMJLYQLAR-IACUBPJLSA-N 1 0 265.397 3.148 20 10 CGCDRO Oc1ccccc1CN(Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000843052115 635549791 /nfs/dbraw/zinc/54/97/91/635549791.db2.gz GLROOTLASBJYKX-SFHVURJKSA-N 1 0 296.414 3.146 20 10 CGCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1cccc2c1NCC2 ZINC000843057652 635553210 /nfs/dbraw/zinc/55/32/10/635553210.db2.gz GPBSSUYVNHKCIF-UHFFFAOYSA-N 1 0 293.414 3.066 20 10 CGCDRO Cc1cc(C[NH2+]CC2(O)CCC2)c(C)n1-c1ccccc1 ZINC000127387110 635646455 /nfs/dbraw/zinc/64/64/55/635646455.db2.gz LHHCHUBHQSDPLQ-UHFFFAOYSA-N 1 0 284.403 3.099 20 10 CGCDRO COCC1(CC[NH2+]Cc2ccc3ccccc3c2O)CC1 ZINC000843418991 635662816 /nfs/dbraw/zinc/66/28/16/635662816.db2.gz NONISUWZALIDLQ-UHFFFAOYSA-N 1 0 285.387 3.452 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCOC[C@@H]1C1CCC1 ZINC000843428248 635672545 /nfs/dbraw/zinc/67/25/45/635672545.db2.gz DWFICLQDNLMFHD-GOSISDBHSA-N 1 0 288.435 3.062 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2cc(F)ccc2O)CC2(CCCC2)O1 ZINC000843435695 635676667 /nfs/dbraw/zinc/67/66/67/635676667.db2.gz XJADPRPNQPBVJD-GFCCVEGCSA-N 1 0 279.355 3.065 20 10 CGCDRO COc1ccc(N(C)CC[N@H+](C)[C@@H](C)c2ccncc2)cc1 ZINC000844400626 635890420 /nfs/dbraw/zinc/89/04/20/635890420.db2.gz DTMKAUVRXWWFEU-HNNXBMFYSA-N 1 0 299.418 3.219 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H](OC(C)C)C2)c1O ZINC000844718302 635956688 /nfs/dbraw/zinc/95/66/88/635956688.db2.gz GMPIATAITOJCES-OAHLLOKOSA-N 1 0 293.407 3.099 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@H+]2CCC[C@H](OC(C)C)C2)c1 ZINC000844718234 635956808 /nfs/dbraw/zinc/95/68/08/635956808.db2.gz DMNSFQFWJCRZBZ-INIZCTEOSA-N 1 0 277.408 3.398 20 10 CGCDRO CC[C@@]1(C)CCC[C@@H]1[NH2+]Cc1cc(OC)ccc1O ZINC000845935786 636120755 /nfs/dbraw/zinc/12/07/55/636120755.db2.gz BKOPOFKDICCQDJ-HOTGVXAUSA-N 1 0 263.381 3.459 20 10 CGCDRO CCc1ncc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)s1 ZINC000845971838 636125252 /nfs/dbraw/zinc/12/52/52/636125252.db2.gz FNFGQFLLWFQYNR-JTQLQIEISA-N 1 0 292.404 3.271 20 10 CGCDRO OCC1(CC[NH2+]Cc2ccc3ccccc3c2O)CCC1 ZINC000846103866 636142720 /nfs/dbraw/zinc/14/27/20/636142720.db2.gz ARGQCJSWKOBKLP-UHFFFAOYSA-N 1 0 285.387 3.188 20 10 CGCDRO CCc1cnc(C[NH2+][C@@H](C)c2cccc(OC)c2O)s1 ZINC000846143535 636149302 /nfs/dbraw/zinc/14/93/02/636149302.db2.gz CKEVAHZPKQHXCG-JTQLQIEISA-N 1 0 292.404 3.271 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCOC(C)(C)C2)c1O ZINC000846156736 636150275 /nfs/dbraw/zinc/15/02/75/636150275.db2.gz HHFVXQQZXSRPNG-NWDGAFQWSA-N 1 0 279.380 3.009 20 10 CGCDRO C[C@@H]([NH2+]CC1(CO)CCCCC1)c1cc(F)ccc1O ZINC000130826978 636516946 /nfs/dbraw/zinc/51/69/46/636516946.db2.gz IVWITYBKYQGWJV-GFCCVEGCSA-N 1 0 281.371 3.125 20 10 CGCDRO COc1ccc(C[NH2+]C[C@H](C)C(=O)OC(C)(C)C)cc1C ZINC000848565315 636608267 /nfs/dbraw/zinc/60/82/67/636608267.db2.gz JAVSSVMEZLOCCF-ZDUSSCGKSA-N 1 0 293.407 3.071 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN3CCCC[C@@H]23)c(O)c1 ZINC000848568404 636610360 /nfs/dbraw/zinc/61/03/60/636610360.db2.gz HTMNOXHKQUKBST-UAGQMJEPSA-N 1 0 288.435 3.368 20 10 CGCDRO CCC1(CC)[C@H]([NH2+]Cc2cccc(OC)c2O)C[C@@H]1OC ZINC000131429333 636652616 /nfs/dbraw/zinc/65/26/16/636652616.db2.gz LDWICUGHPBWARN-CABCVRRESA-N 1 0 293.407 3.084 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCC[C@@H]2CSC)c1O ZINC000848890815 636678059 /nfs/dbraw/zinc/67/80/59/636678059.db2.gz VBINCRPAGACNEY-CQSZACIVSA-N 1 0 265.422 3.282 20 10 CGCDRO CCc1cccc(C[NH2+]Cc2ccnc(SC)c2)c1O ZINC000848900134 636681569 /nfs/dbraw/zinc/68/15/69/636681569.db2.gz BHFVTXYFJCVTRQ-UHFFFAOYSA-N 1 0 288.416 3.361 20 10 CGCDRO CCc1cccc(C[N@@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c1O ZINC000848912877 636687652 /nfs/dbraw/zinc/68/76/52/636687652.db2.gz LEZSKIJSSSTVMM-RDJZCZTQSA-N 1 0 289.419 3.344 20 10 CGCDRO CCc1cccc(C[NH2+]CCCC2CCOCC2)c1O ZINC000848914661 636688794 /nfs/dbraw/zinc/68/87/94/636688794.db2.gz QQGGPRITXDIYQB-UHFFFAOYSA-N 1 0 277.408 3.251 20 10 CGCDRO CCc1cccc(C[NH2+]CC(C)(C)C2(O)CCCC2)c1O ZINC000848915444 636688804 /nfs/dbraw/zinc/68/88/04/636688804.db2.gz WDFJHNFRSJKERK-UHFFFAOYSA-N 1 0 291.435 3.376 20 10 CGCDRO COc1ccc(O)c(C[NH2+]Cc2cccc(C)c2OC)c1 ZINC000848924219 636695499 /nfs/dbraw/zinc/69/54/99/636695499.db2.gz XVFFJCRXFRCRKI-UHFFFAOYSA-N 1 0 287.359 3.008 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCC[C@@H](OC3CCC3)C2)c1O ZINC000848925120 636697110 /nfs/dbraw/zinc/69/71/10/636697110.db2.gz OCWPJMIDCJQMBL-QGZVFWFLSA-N 1 0 289.419 3.488 20 10 CGCDRO CCOC(=O)CC[N@H+](Cc1cccc(CC)c1O)C(C)C ZINC000848928212 636700731 /nfs/dbraw/zinc/70/07/31/636700731.db2.gz XCXJYDGHEBLCCP-UHFFFAOYSA-N 1 0 293.407 3.118 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCC[C@]23CCCO3)c1 ZINC000883368861 636710286 /nfs/dbraw/zinc/71/02/86/636710286.db2.gz DANUDTOKDQSSQO-JLZZUVOBSA-N 1 0 291.391 3.153 20 10 CGCDRO CCCc1nc(C)c(CN2CCCc3cc(C[NH3+])ccc32)o1 ZINC000883417200 636749663 /nfs/dbraw/zinc/74/96/63/636749663.db2.gz RSTWEJBFZPNECW-UHFFFAOYSA-N 1 0 299.418 3.347 20 10 CGCDRO COC[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000131970819 636770804 /nfs/dbraw/zinc/77/08/04/636770804.db2.gz JWYBKHXOWJHQJI-CABCVRRESA-N 1 0 276.424 3.362 20 10 CGCDRO CC1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000132438442 636808046 /nfs/dbraw/zinc/80/80/46/636808046.db2.gz BYFRQDUTUJJBFK-UHFFFAOYSA-N 1 0 284.197 3.387 20 10 CGCDRO C[C@H]1C[N@H+](Cc2cc(Br)ccc2O)C[C@H]1C ZINC000132756377 636835380 /nfs/dbraw/zinc/83/53/80/636835380.db2.gz LSLBPOAAYVYUQK-AOOOYVTPSA-N 1 0 284.197 3.243 20 10 CGCDRO CCC1(C)CC[NH+](Cc2cc(OC)ccc2O)CC1 ZINC000133977473 636991720 /nfs/dbraw/zinc/99/17/20/636991720.db2.gz ONDIBSNUFXODFK-UHFFFAOYSA-N 1 0 263.381 3.413 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CCC2CC(OC)C2)cc1 ZINC000850342671 637021033 /nfs/dbraw/zinc/02/10/33/637021033.db2.gz IRCRVRFMAAQQCL-UHFFFAOYSA-N 1 0 290.451 3.438 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCN2C(C)(C)C)c(Cl)c1 ZINC000850344025 637021421 /nfs/dbraw/zinc/02/14/21/637021421.db2.gz VFBWAWZRXMKUKD-LBPRGKRZSA-N 1 0 296.842 3.316 20 10 CGCDRO CC[C@@H](C)CC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000850355067 637024946 /nfs/dbraw/zinc/02/49/46/637024946.db2.gz CQEJDBFAYRFETH-CQSZACIVSA-N 1 0 294.414 3.188 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+]CCc2ccoc2)cc1 ZINC000850376345 637038608 /nfs/dbraw/zinc/03/86/08/637038608.db2.gz HAHOEYZLJUIENY-ONEGZZNKSA-N 1 0 270.376 3.191 20 10 CGCDRO COc1ccc(N2CCC([NH2+][C@H]3[C@@H]4CCC[C@@H]43)CC2)cc1 ZINC000850394025 637045543 /nfs/dbraw/zinc/04/55/43/637045543.db2.gz ZBHGHYFADRAATM-PIIMJCKOSA-N 1 0 286.419 3.052 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]C[C@H]2C(C)(C)C2(F)F)c1 ZINC000850394270 637047058 /nfs/dbraw/zinc/04/70/58/637047058.db2.gz OIBXGSBZPUKTPI-LBPRGKRZSA-N 1 0 255.308 3.082 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1cc(Br)ccc1O ZINC000134915130 637050146 /nfs/dbraw/zinc/05/01/46/637050146.db2.gz OUWLHIHNLFHBQE-UTLUCORTSA-N 1 0 284.197 3.461 20 10 CGCDRO CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850486712 637087734 /nfs/dbraw/zinc/08/77/34/637087734.db2.gz CXHWETZYDAWWHJ-RRFJBIMHSA-N 1 0 276.424 3.298 20 10 CGCDRO C[C@@H]([NH2+]CCO[C@H]1CC1(F)F)c1cc(Cl)ccc1O ZINC000850520416 637100430 /nfs/dbraw/zinc/10/04/30/637100430.db2.gz BEAFWBIOAPBZHY-PELKAZGASA-N 1 0 291.725 3.120 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1COC2(CCC2)C1)c1ccc(Cl)cc1O ZINC000850524417 637103330 /nfs/dbraw/zinc/10/33/30/637103330.db2.gz YDXFQCRRKFKGTM-PWSUYJOCSA-N 1 0 281.783 3.408 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2CCC[C@H]3C[C@H]32)c1O ZINC000850532408 637109723 /nfs/dbraw/zinc/10/97/23/637109723.db2.gz UOQISIQGBFNBBA-PWNZVWSESA-N 1 0 275.392 3.488 20 10 CGCDRO CC[C@H]([NH2+]Cc1nccc(OC)c1F)c1ccccc1O ZINC000850536321 637112161 /nfs/dbraw/zinc/11/21/61/637112161.db2.gz FLHGYXYJHQITBW-LBPRGKRZSA-N 1 0 290.338 3.176 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCc3ccc(O)cc32)c1O ZINC000850542840 637114830 /nfs/dbraw/zinc/11/48/30/637114830.db2.gz USBZUWRCPPOKHD-BDJLRTHQSA-N 1 0 299.370 3.445 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)CN2CCC(C)CC2)c(O)c1 ZINC000850543794 637115919 /nfs/dbraw/zinc/11/59/19/637115919.db2.gz QGXDGQUPBZAPNP-HZPDHXFCSA-N 1 0 290.451 3.472 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2C[C@H](O)C23CCC3)cc1 ZINC000850547752 637116270 /nfs/dbraw/zinc/11/62/70/637116270.db2.gz VRYCACOICYEWKC-JQFCIGGWSA-N 1 0 288.435 3.097 20 10 CGCDRO CC[C@@H]([NH2+]CC1CCC(O)CC1)c1ccc(C)cc1O ZINC000850553384 637118851 /nfs/dbraw/zinc/11/88/51/637118851.db2.gz WUHCKCSKPLJHIW-ZBCRRDGASA-N 1 0 277.408 3.292 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CC2CCC(O)CC2)c(O)c1C ZINC000850557761 637122281 /nfs/dbraw/zinc/12/22/81/637122281.db2.gz XMIGTMZWHCMBGL-NFOMZHRRSA-N 1 0 277.408 3.211 20 10 CGCDRO Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+][C@H]1C[C@H](O)C1 ZINC000850579514 637130769 /nfs/dbraw/zinc/13/07/69/637130769.db2.gz YPNHIJVAHURJQI-JFIYKMOQSA-N 1 0 297.398 3.179 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]Cc2[nH]nc(C)c2C)cc1 ZINC000885926698 637314037 /nfs/dbraw/zinc/31/40/37/637314037.db2.gz GNTSLXBEUIEKHZ-UHFFFAOYSA-N 1 0 286.423 3.163 20 10 CGCDRO Cc1coc(C[NH2+]CCCSc2nccs2)c1 ZINC000885992581 637346671 /nfs/dbraw/zinc/34/66/71/637346671.db2.gz LLOAGLNBRXHIKW-UHFFFAOYSA-N 1 0 268.407 3.317 20 10 CGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@H]1C[C@@]12CCOC2 ZINC000886027861 637373279 /nfs/dbraw/zinc/37/32/79/637373279.db2.gz JPUAWOFVMSXKCQ-NVXWUHKLSA-N 1 0 275.392 3.031 20 10 CGCDRO CCCC[N@@H+](Cc1ccccc1O)C[C@H]1C[C@]12CCOC2 ZINC000886192451 637453694 /nfs/dbraw/zinc/45/36/94/637453694.db2.gz XBFGJQJYIPGOIP-AEFFLSMTSA-N 1 0 289.419 3.421 20 10 CGCDRO CCCC[N@H+](Cc1ccccc1O)C[C@](C)(O)C(F)F ZINC000886192402 637454027 /nfs/dbraw/zinc/45/40/27/637454027.db2.gz UYRXWDFNJLZRSI-HNNXBMFYSA-N 1 0 287.350 3.010 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CC3(CCC3)CO2)cc1C ZINC000886289008 637486326 /nfs/dbraw/zinc/48/63/26/637486326.db2.gz LZNLBNWJFAJCQE-OAHLLOKOSA-N 1 0 275.392 3.058 20 10 CGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@H](OC)C1CCC1 ZINC000851792924 637505090 /nfs/dbraw/zinc/50/50/90/637505090.db2.gz UNBGTQIWMRVJPT-KRWDZBQOSA-N 1 0 277.408 3.419 20 10 CGCDRO COc1cccc(C[NH2+][C@@H]2CCc3c2cccc3F)c1O ZINC000886363973 637513848 /nfs/dbraw/zinc/51/38/48/637513848.db2.gz KWQWHWZBYUOQPH-OAHLLOKOSA-N 1 0 287.334 3.317 20 10 CGCDRO C[C@H]([NH2+]Cc1cccc(N)c1)c1ccc(N(C)C)cc1 ZINC000851951151 637558169 /nfs/dbraw/zinc/55/81/69/637558169.db2.gz VHHDDCLBMSISMF-ZDUSSCGKSA-N 1 0 269.392 3.186 20 10 CGCDRO CC[NH+]1CCC(CC[NH2+][C@H](C)c2c([O-])cccc2F)CC1 ZINC000886532866 637558880 /nfs/dbraw/zinc/55/88/80/637558880.db2.gz QBSAQCSUYHDAIC-CYBMUJFWSA-N 1 0 294.414 3.304 20 10 CGCDRO C[C@H]([NH2+]CC(C)(C)CCCO)c1ccc(N(C)C)cc1 ZINC000221591343 637736733 /nfs/dbraw/zinc/73/67/33/637736733.db2.gz MSCDMDABURSNJN-AWEZNQCLSA-N 1 0 278.440 3.202 20 10 CGCDRO CCn1nccc1C[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000853241020 637791501 /nfs/dbraw/zinc/79/15/01/637791501.db2.gz RSGAADHUSKFMNB-CYBMUJFWSA-N 1 0 299.418 3.338 20 10 CGCDRO COc1cccc(C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)c1O ZINC000111398482 637861572 /nfs/dbraw/zinc/86/15/72/637861572.db2.gz HOZNHDZYFVFPKS-HZPDHXFCSA-N 1 0 283.371 3.294 20 10 CGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@@H]4C[C@@H]4C3)c2c1 ZINC000853577844 637869230 /nfs/dbraw/zinc/86/92/30/637869230.db2.gz JMGKYAQDHBRABX-ZIAGYGMSSA-N 1 0 283.371 3.396 20 10 CGCDRO CC[C@H](N[C@H](C)C[NH2+]C)c1ccc(C(F)(F)F)cc1O ZINC000854232802 638030083 /nfs/dbraw/zinc/03/00/83/638030083.db2.gz ULMYGHFJAWTVEG-SKDRFNHKSA-N 1 0 290.329 3.060 20 10 CGCDRO CC(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000112675791 638104408 /nfs/dbraw/zinc/10/44/08/638104408.db2.gz FFSRSGZGONGIRU-UONOGXRCSA-N 1 0 291.391 3.425 20 10 CGCDRO CCOC[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000113923342 638305025 /nfs/dbraw/zinc/30/50/25/638305025.db2.gz JCBMOTWYXISZSC-CQSZACIVSA-N 1 0 289.419 3.129 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CC[C@H]2CC2(F)F)cc1F ZINC000856802338 638391497 /nfs/dbraw/zinc/39/14/97/638391497.db2.gz NJHFQHRQTHABRQ-NSHDSACASA-N 1 0 272.314 3.027 20 10 CGCDRO CCCN(CCC)c1ccc(C[NH2+]CC[C@H](C)O)cc1 ZINC000114771323 638427351 /nfs/dbraw/zinc/42/73/51/638427351.db2.gz BWJHYWHDPWAPHI-HNNXBMFYSA-N 1 0 278.440 3.174 20 10 CGCDRO COc1ccc(O)c(C[NH+]2CC(Cc3ccsc3)C2)c1 ZINC000857068127 638449890 /nfs/dbraw/zinc/44/98/90/638449890.db2.gz KTZVRLOCQGTXSH-UHFFFAOYSA-N 1 0 289.400 3.137 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000115629588 638569552 /nfs/dbraw/zinc/56/95/52/638569552.db2.gz ZICHFTAYKGPCOP-UHFFFAOYSA-N 1 0 299.374 3.259 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000115629090 638569729 /nfs/dbraw/zinc/56/97/29/638569729.db2.gz KORAUECNMUVMHZ-UHFFFAOYSA-N 1 0 299.374 3.259 20 10 CGCDRO Cc1cccc2c1C[C@H]([NH2+][C@@H]1CCc3cccc(O)c31)CO2 ZINC000858459358 638724722 /nfs/dbraw/zinc/72/47/22/638724722.db2.gz CZTFCISHCXQQKO-GOEBONIOSA-N 1 0 295.382 3.281 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCCN2CC(F)F)c1 ZINC000858479454 638734676 /nfs/dbraw/zinc/73/46/76/638734676.db2.gz SGVOIYFAEDUAOY-CHWSQXEVSA-N 1 0 298.377 3.081 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)CCS1 ZINC000927025604 638833396 /nfs/dbraw/zinc/83/33/96/638833396.db2.gz COGQBUPZBSFBLY-RAIGVLPGSA-N 1 0 263.406 3.253 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+][C@@H]1CCCc3cccnc31)CC2 ZINC000927062418 638836434 /nfs/dbraw/zinc/83/64/34/638836434.db2.gz MHBQRCFPOBXEGE-HUUCEWRRSA-N 1 0 280.371 3.442 20 10 CGCDRO C[C@H]([NH2+]CCOc1ccccc1)c1ccc(N(C)C)cc1 ZINC000042894812 639922041 /nfs/dbraw/zinc/92/20/41/639922041.db2.gz WPYFVKVRNQGLOD-HNNXBMFYSA-N 1 0 284.403 3.482 20 10 CGCDRO CC[C@H]([NH2+]C[C@H]1CCCCN1CC)c1ccccc1O ZINC000155780439 639948511 /nfs/dbraw/zinc/94/85/11/639948511.db2.gz MEIRAQNPNIEGIZ-ZBFHGGJFSA-N 1 0 276.424 3.307 20 10 CGCDRO CCCC[N@H+](CCO)Cc1ccc(N2CCCCC2)cc1 ZINC000159085470 640029259 /nfs/dbraw/zinc/02/92/59/640029259.db2.gz LPFIXMHIQSHXNH-UHFFFAOYSA-N 1 0 290.451 3.271 20 10 CGCDRO Cc1cccc(C[N@H+]2CCC[C@@]2(CO)CC(C)C)c1O ZINC000188037728 640116178 /nfs/dbraw/zinc/11/61/78/640116178.db2.gz OOJYJCSIFLDLEN-KRWDZBQOSA-N 1 0 277.408 3.074 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](CO)Cc1ccccc1C)c1ccccc1O ZINC000191556381 640318910 /nfs/dbraw/zinc/31/89/10/640318910.db2.gz PUFGPRHYPDDJJK-SJLPKXTDSA-N 1 0 299.414 3.345 20 10 CGCDRO C[C@](O)(C[NH2+]Cc1ccc2c(c1)CCO2)C1CCCCC1 ZINC000191674588 640327630 /nfs/dbraw/zinc/32/76/30/640327630.db2.gz XRHYPCVYEFWOIC-SFHVURJKSA-N 1 0 289.419 3.042 20 10 CGCDRO C[C@@H]([NH2+]CCCOC(F)F)c1ccc(N(C)C)cc1 ZINC000194041020 640509030 /nfs/dbraw/zinc/50/90/30/640509030.db2.gz WGJIEVDRENNOLY-LLVKDONJSA-N 1 0 272.339 3.033 20 10 CGCDRO CC[C@@H](C)C[C@@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000088292491 640616352 /nfs/dbraw/zinc/61/63/52/640616352.db2.gz HAZYOUNXEHUUDQ-GHMZBOCLSA-N 1 0 265.353 3.035 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CCS[C@@H](C)[C@H]2C)c1 ZINC000245698633 640632778 /nfs/dbraw/zinc/63/27/78/640632778.db2.gz CQQYPODWKRUDND-NEPJUHHUSA-N 1 0 281.421 3.117 20 10 CGCDRO CCOc1cccc(C[N@@H+]2C[C@H](C)CC[C@H]2C)c1O ZINC000245902584 640646443 /nfs/dbraw/zinc/64/64/43/640646443.db2.gz LJRJFDQIOGWXIY-CHWSQXEVSA-N 1 0 263.381 3.411 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H](C)c2cnc(C)s2)c1 ZINC000089726587 640655517 /nfs/dbraw/zinc/65/55/17/640655517.db2.gz LLWLZPWZUYKKCQ-VIFPVBQESA-N 1 0 278.377 3.017 20 10 CGCDRO C[C@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)[C@H]1c1ccccc1 ZINC000247424396 640720280 /nfs/dbraw/zinc/72/02/80/640720280.db2.gz KZPZRWUVTRAEIZ-KPZWWZAWSA-N 1 0 297.354 3.314 20 10 CGCDRO CC(=O)c1cc(Cl)cc(C[NH+]2C[C@H](C)[C@@H](C)C2)c1O ZINC000092086289 640730989 /nfs/dbraw/zinc/73/09/89/640730989.db2.gz DWKXZWUFOYOMMV-UWVGGRQHSA-N 1 0 281.783 3.336 20 10 CGCDRO CC[N@H+](Cc1ccccn1)Cc1cc(Cl)ccc1O ZINC000093338770 640767694 /nfs/dbraw/zinc/76/76/94/640767694.db2.gz BQGRSJAFNJYPDW-UHFFFAOYSA-N 1 0 276.767 3.463 20 10 CGCDRO C[C@H](Cc1ccco1)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000094617302 640798515 /nfs/dbraw/zinc/79/85/15/640798515.db2.gz ORCHQJPCVMAFKA-GHMZBOCLSA-N 1 0 263.312 3.406 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H](O)c1ccco1)c1ccc(N(C)C)cc1 ZINC000305063167 640877681 /nfs/dbraw/zinc/87/76/81/640877681.db2.gz HGQUQBGBMUAYJG-HZPDHXFCSA-N 1 0 288.391 3.120 20 10 CGCDRO CC[C@@H](CCO)[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000305117011 640882886 /nfs/dbraw/zinc/88/28/86/640882886.db2.gz IHXXJKCPJBCWBA-WBVHZDCISA-N 1 0 290.451 3.489 20 10 CGCDRO Cc1nc(C)c(CC[NH2+]Cc2c(O)cccc2Cl)s1 ZINC000113340105 640976456 /nfs/dbraw/zinc/97/64/56/640976456.db2.gz SGQWWMGBMMBOKI-UHFFFAOYSA-N 1 0 296.823 3.451 20 10 CGCDRO Cc1cc(Nc2ccc(N)cc2)ccc1OC1CC[NH2+]CC1 ZINC001160225852 806237586 /nfs/dbraw/zinc/23/75/86/806237586.db2.gz HLXMALNDNMACKC-UHFFFAOYSA-N 1 0 297.402 3.452 20 10 CGCDRO C[N@@H+](Cc1ccc(N2CCCC2)cc1)C[C@H](O)C(C)(C)C ZINC001253725581 806286239 /nfs/dbraw/zinc/28/62/39/806286239.db2.gz XLVZJPMFIPSXDP-KRWDZBQOSA-N 1 0 290.451 3.126 20 10 CGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]CCCc1cnn(C)c1 ZINC001254722045 806487271 /nfs/dbraw/zinc/48/72/71/806487271.db2.gz XTMKRURYSOFNEL-ZFWWWQNUSA-N 1 0 299.418 3.205 20 10 CGCDRO CC[C@H]1CCC[N@@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000037914574 798879613 /nfs/dbraw/zinc/87/96/13/798879613.db2.gz CEZURTHEGMYBJK-ZDUSSCGKSA-N 1 0 265.328 3.108 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2Cc3ccccc3O2)c(O)c1 ZINC000038009529 798883405 /nfs/dbraw/zinc/88/34/05/798883405.db2.gz MWAGHIDANKNMOC-DZGCQCFKSA-N 1 0 283.371 3.355 20 10 CGCDRO CCC(CC)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000131000741 799026832 /nfs/dbraw/zinc/02/68/32/799026832.db2.gz GSWTZOGJUNPVRO-UHFFFAOYSA-N 1 0 276.424 3.144 20 10 CGCDRO Oc1ccccc1C[NH2+]Cc1ccccc1N1CCCC1 ZINC000134236988 799035936 /nfs/dbraw/zinc/03/59/36/799035936.db2.gz BNQCFYMCTOTHOR-UHFFFAOYSA-N 1 0 282.387 3.282 20 10 CGCDRO CCC[C@H](C[NH2+]Cc1ccc(N(CC)CC)cc1)OC ZINC000378808449 799343841 /nfs/dbraw/zinc/34/38/41/799343841.db2.gz XEUKSWYCTAHEBT-QGZVFWFLSA-N 1 0 278.440 3.438 20 10 CGCDRO CC[C@@H]1CC[C@H]1[NH2+]CCCSc1nccs1 ZINC000381569392 799381163 /nfs/dbraw/zinc/38/11/63/799381163.db2.gz WJPMQGCJFQWHTF-GHMZBOCLSA-N 1 0 256.440 3.404 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H]2C[C@H]2CC(C)C)c1O ZINC000385859740 799429031 /nfs/dbraw/zinc/42/90/31/799429031.db2.gz RSCXYZOHVBDPNX-ZIAGYGMSSA-N 1 0 263.381 3.315 20 10 CGCDRO Cc1csc(C[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000386177678 799431436 /nfs/dbraw/zinc/43/14/36/799431436.db2.gz IIGUHETVPKBOAI-UHFFFAOYSA-N 1 0 259.374 3.281 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)[C@@H]2CCCOC2)c1 ZINC000388485324 799454159 /nfs/dbraw/zinc/45/41/59/799454159.db2.gz PJOCPOWNHIGMRH-HZSPNIEDSA-N 1 0 263.381 3.166 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CC3CCC2CC3)cc1 ZINC000389076948 799459735 /nfs/dbraw/zinc/45/97/35/799459735.db2.gz ZJVLKRRYZFZANK-PUJMQQBBSA-N 1 0 258.409 3.421 20 10 CGCDRO Cc1csc([C@@H](C)[NH2+][C@H]2CCc3cccc(O)c32)n1 ZINC000389192475 799460979 /nfs/dbraw/zinc/46/09/79/799460979.db2.gz ORTLNUSFXHIZPX-PWSUYJOCSA-N 1 0 274.389 3.495 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2O)[C@@H]1C ZINC000390530715 799472192 /nfs/dbraw/zinc/47/21/92/799472192.db2.gz IJOSRHCZJDQDND-LNLATYFQSA-N 1 0 284.197 3.289 20 10 CGCDRO CC1(C)SC[C@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000393872484 799492105 /nfs/dbraw/zinc/49/21/05/799492105.db2.gz CKZCTCTXWZUGFW-OAHLLOKOSA-N 1 0 276.449 3.270 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CC(C)(C)COC)cc1 ZINC000394216590 799495594 /nfs/dbraw/zinc/49/55/94/799495594.db2.gz IKQLLQWJJKOBSN-UHFFFAOYSA-N 1 0 278.440 3.295 20 10 CGCDRO CCOc1cccc(C[NH2+]C(C)(C)COC(C)C)c1O ZINC000396494212 799508214 /nfs/dbraw/zinc/50/82/14/799508214.db2.gz SBSMJQHRYKCIAG-UHFFFAOYSA-N 1 0 281.396 3.084 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@]2(C)CCOC2)cc1 ZINC000397126204 799513376 /nfs/dbraw/zinc/51/33/76/799513376.db2.gz QRFPYZRJIRAOIH-KRWDZBQOSA-N 1 0 276.424 3.049 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CS[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000397822194 799520935 /nfs/dbraw/zinc/52/09/35/799520935.db2.gz FFVQWILARRECAA-YRGRVCCFSA-N 1 0 264.438 3.297 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CC[C@@](C)(CC)C2)c1O ZINC000399381225 799537898 /nfs/dbraw/zinc/53/78/98/799537898.db2.gz ZPYLFHMJIQOWCG-MRXNPFEDSA-N 1 0 263.381 3.413 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)nc1 ZINC000400929153 799551815 /nfs/dbraw/zinc/55/18/15/799551815.db2.gz NFHDHGNMZMLNNG-AWEZNQCLSA-N 1 0 269.392 3.307 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(C)ns2)c1 ZINC000404398032 799575935 /nfs/dbraw/zinc/57/59/35/799575935.db2.gz PONGIAJKXKDBKA-JTQLQIEISA-N 1 0 278.377 3.017 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH+]1CCC(F)(F)CC1 ZINC000404801151 799579079 /nfs/dbraw/zinc/57/90/79/799579079.db2.gz UIHSUCGGJHSTIE-UHFFFAOYSA-N 1 0 261.699 3.277 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@@]2(C)CC2(F)F)c1O ZINC000689203845 799761540 /nfs/dbraw/zinc/76/15/40/799761540.db2.gz PAMRQMUFOFWEHA-CYBMUJFWSA-N 1 0 255.308 3.090 20 10 CGCDRO CC(C)(C)N1CC[C@H]1C[NH2+]Cc1c(O)cccc1Cl ZINC000690344656 799775238 /nfs/dbraw/zinc/77/52/38/799775238.db2.gz WQIKYTQTPVCTKI-NSHDSACASA-N 1 0 282.815 3.008 20 10 CGCDRO C[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(Br)cc1O ZINC000691394129 799783305 /nfs/dbraw/zinc/78/33/05/799783305.db2.gz AOPRWLDZLGJQLA-KCJUWKMLSA-N 1 0 270.170 3.043 20 10 CGCDRO CCc1cccc(C[NH2+]C2(CC)CCOCC2)c1O ZINC000691453176 799784376 /nfs/dbraw/zinc/78/43/76/799784376.db2.gz MSLAQRQNRSDGAK-UHFFFAOYSA-N 1 0 263.381 3.003 20 10 CGCDRO CCc1cccc(C[NH2+]CCOC2CCCC2)c1O ZINC000691433422 799784386 /nfs/dbraw/zinc/78/43/86/799784386.db2.gz HBOQBANOEABNKC-UHFFFAOYSA-N 1 0 263.381 3.003 20 10 CGCDRO CCc1cccc(C[NH2+]Cc2ccc(F)cc2)c1O ZINC000691514572 799784837 /nfs/dbraw/zinc/78/48/37/799784837.db2.gz TWEZRGWLIARAFE-UHFFFAOYSA-N 1 0 259.324 3.384 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@@H]2CCCCS2)c1O ZINC000691500766 799785428 /nfs/dbraw/zinc/78/54/28/799785428.db2.gz RMPFQABSPUCZEN-AWEZNQCLSA-N 1 0 265.422 3.330 20 10 CGCDRO CC/C=C/C[NH2+]Cc1ccc(Br)cc1O ZINC000691479301 799785687 /nfs/dbraw/zinc/78/56/87/799785687.db2.gz YYGVTKACMXFOAL-ONEGZZNKSA-N 1 0 270.170 3.211 20 10 CGCDRO CC1(C)CC[C@@H](C[NH2+]Cc2c(O)cccc2Cl)O1 ZINC000691796073 799786127 /nfs/dbraw/zinc/78/61/27/799786127.db2.gz DUAKIFJKXFIWIK-JTQLQIEISA-N 1 0 269.772 3.093 20 10 CGCDRO CO[C@H](C[NH2+][C@@H](C)c1cc(F)ccc1O)C1CCCC1 ZINC000692983257 799806525 /nfs/dbraw/zinc/80/65/25/799806525.db2.gz QPNZJCWXCSFKFM-MEDUHNTESA-N 1 0 281.371 3.387 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]CCC1SCCS1)CC2 ZINC000693800901 799815825 /nfs/dbraw/zinc/81/58/25/799815825.db2.gz FJVZDLGKHWLXJM-NSHDSACASA-N 1 0 281.446 3.165 20 10 CGCDRO C[C@H](C[NH2+]Cc1ccc(N(C)C)cc1)CC(F)F ZINC000697741619 799848656 /nfs/dbraw/zinc/84/86/56/799848656.db2.gz GKEIHOPLPNIBIH-NSHDSACASA-N 1 0 256.340 3.134 20 10 CGCDRO CCc1nc(CN2CCCc3cc(C[NH3+])ccc32)cs1 ZINC000700803832 799879766 /nfs/dbraw/zinc/87/97/66/799879766.db2.gz MFFVJNSJZMHPGU-UHFFFAOYSA-N 1 0 287.432 3.117 20 10 CGCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1cccc(F)c1 ZINC000700899226 799883011 /nfs/dbraw/zinc/88/30/11/799883011.db2.gz OAJRFIKYYWJPSN-UHFFFAOYSA-N 1 0 270.351 3.237 20 10 CGCDRO CCOc1cccc(C[NH2+]C2(CC(C)C)CC2)c1O ZINC000701482915 799889398 /nfs/dbraw/zinc/88/93/98/799889398.db2.gz JQLSEODFAFTUJJ-UHFFFAOYSA-N 1 0 263.381 3.459 20 10 CGCDRO C[C@@H]([NH2+]CC[C@H]1CC1(F)F)c1ccc(N(C)C)cc1 ZINC000701950197 799898996 /nfs/dbraw/zinc/89/89/96/799898996.db2.gz HSXAZYHOZCAXRB-YPMHNXCESA-N 1 0 268.351 3.449 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CC[C@H]2CC2(F)F)c1 ZINC000701944757 799900155 /nfs/dbraw/zinc/90/01/55/799900155.db2.gz BUBVVPHEDSDUIZ-QWRGUYRKSA-N 1 0 255.308 3.397 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC2CC(C)(C)C2)c1 ZINC000701970319 799901102 /nfs/dbraw/zinc/90/11/02/799901102.db2.gz QMYNZFOHKHPYIA-LLVKDONJSA-N 1 0 263.381 3.488 20 10 CGCDRO COC1CCC([NH2+]Cc2cc(Cl)ccc2O)CC1 ZINC000703821288 799929898 /nfs/dbraw/zinc/92/98/98/799929898.db2.gz CRNWYZDSBFZFNY-UHFFFAOYSA-N 1 0 269.772 3.093 20 10 CGCDRO C[C@@H]([NH2+]CC[C@@H]1CCSC1)c1ccccc1O ZINC000704919340 799944426 /nfs/dbraw/zinc/94/44/26/799944426.db2.gz SLWXGQPQCXISNM-VXGBXAGGSA-N 1 0 251.395 3.186 20 10 CGCDRO CCOc1cccc(C[NH2+]CC2CC(C)(C)C2)c1O ZINC000706541663 799962609 /nfs/dbraw/zinc/96/26/09/799962609.db2.gz MIKQXRNGYYLMOM-UHFFFAOYSA-N 1 0 263.381 3.317 20 10 CGCDRO Oc1cccc(Br)c1C[NH2+]C/C=C/C1CC1 ZINC000706835337 799967474 /nfs/dbraw/zinc/96/74/74/799967474.db2.gz ULYUXPANOSUBFX-NSCUHMNNSA-N 1 0 282.181 3.211 20 10 CGCDRO C[C@H]1CC[C@H]1[NH2+]Cc1c(O)cccc1Br ZINC000706829130 799967985 /nfs/dbraw/zinc/96/79/85/799967985.db2.gz MAHNBXKSZSRDIF-GZMMTYOYSA-N 1 0 270.170 3.043 20 10 CGCDRO Oc1cccc(Br)c1C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000707138893 799973670 /nfs/dbraw/zinc/97/36/70/799973670.db2.gz IOGUODLZSGAAQC-QWRGUYRKSA-N 1 0 296.208 3.387 20 10 CGCDRO COc1cccc(C[NH2+][C@H](C)[C@@]23C[C@@H]2CCCC3)c1O ZINC000708842282 799996589 /nfs/dbraw/zinc/99/65/89/799996589.db2.gz YHNZFDKWJAALLB-HACGYAERSA-N 1 0 275.392 3.459 20 10 CGCDRO C[C@@H](C[NH2+]Cc1ccc(N(C)C)cc1)c1ccccn1 ZINC000709601023 800010654 /nfs/dbraw/zinc/01/06/54/800010654.db2.gz MHQLSBAXYSMHHK-AWEZNQCLSA-N 1 0 269.392 3.041 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCC3(CCC3)O2)c1 ZINC000711458566 800060297 /nfs/dbraw/zinc/06/02/97/800060297.db2.gz YGWLVTWTGUAELJ-ZIAGYGMSSA-N 1 0 275.392 3.453 20 10 CGCDRO COC(C)(C)CC[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000711883898 800078143 /nfs/dbraw/zinc/07/81/43/800078143.db2.gz KIWUUVZOPFVJMP-LBPRGKRZSA-N 1 0 251.370 3.166 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2C[C@@H](COC)C2)cc1 ZINC000714429599 800122371 /nfs/dbraw/zinc/12/23/71/800122371.db2.gz IXYDXUOZIUSBGS-IYBDPMFKSA-N 1 0 276.424 3.047 20 10 CGCDRO C[C@H]([NH2+]CC[C@H]1CCCS1)c1ccccc1O ZINC000715617552 800141421 /nfs/dbraw/zinc/14/14/21/800141421.db2.gz BIBKVKIZTOLMKE-NWDGAFQWSA-N 1 0 251.395 3.329 20 10 CGCDRO CO[C@@H]1CCC[C@H]([NH2+]Cc2cc(C)ccc2O)CC1 ZINC000718355089 800216322 /nfs/dbraw/zinc/21/63/22/800216322.db2.gz WSEHPYTZBLPRRP-LSDHHAIUSA-N 1 0 263.381 3.138 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]Cc1ncc(Cl)s1)CC2 ZINC000719394959 800237886 /nfs/dbraw/zinc/23/78/86/800237886.db2.gz MKRUOKAFZJAEHV-SECBINFHSA-N 1 0 280.780 3.279 20 10 CGCDRO COc1ccc(C[NH2+]C[C@@H]2CC[C@H](C3CC3)O2)cc1C ZINC000722333789 800314689 /nfs/dbraw/zinc/31/46/89/800314689.db2.gz OQKZFDBCGNJDBG-DOTOQJQBSA-N 1 0 275.392 3.051 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000723650694 800335361 /nfs/dbraw/zinc/33/53/61/800335361.db2.gz NEMVEMGLJWSBGN-LALPHHSUSA-N 1 0 295.810 3.340 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)[C@@H]1CCCOC1 ZINC000724011058 800352553 /nfs/dbraw/zinc/35/25/53/800352553.db2.gz KBVJETYKMTVODV-ZOWXZIJZSA-N 1 0 281.371 3.387 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@]2(C)CC2(F)F)c(Cl)c1 ZINC000850379526 800517996 /nfs/dbraw/zinc/51/79/96/800517996.db2.gz SHJNXDTZDLGNLB-GFCCVEGCSA-N 1 0 275.726 3.489 20 10 CGCDRO C[C@@H]1CCC[C@H](C[NH2+]C/C=C\c2ccc(N(C)C)cc2)O1 ZINC000850379352 800518044 /nfs/dbraw/zinc/51/80/44/800518044.db2.gz MCYYJAUIURGKQS-JYAXHDLFSA-N 1 0 288.435 3.313 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](c2ccccn2)C2CC2)c1 ZINC000922585913 800619239 /nfs/dbraw/zinc/61/92/39/800619239.db2.gz JCTWDLVHQMZFNQ-GOSISDBHSA-N 1 0 298.386 3.427 20 10 CGCDRO Oc1ccc(C[NH2+][C@H]2CCO[C@@H](c3ccccc3)C2)cc1O ZINC001256791958 806979181 /nfs/dbraw/zinc/97/91/81/806979181.db2.gz GOHSEPBPIMNYMY-MAUKXSAKSA-N 1 0 299.370 3.108 20 10 CGCDRO CO[C@@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)[C@H](C)C1 ZINC001116908973 802427664 /nfs/dbraw/zinc/42/76/64/802427664.db2.gz MKWXFBOLPFWGNB-CRAIPNDOSA-N 1 0 288.435 3.286 20 10 CGCDRO C[N@H+](Cc1ccccc1O)C[C@]1(C)CC1(Cl)Cl ZINC001117756524 802488527 /nfs/dbraw/zinc/48/85/27/802488527.db2.gz DVFJYICFPYAQOT-LBPRGKRZSA-N 1 0 274.191 3.408 20 10 CGCDRO COC1CCC([NH2+]Cc2cc(Cl)c(C)cc2O)CC1 ZINC001118640785 802592083 /nfs/dbraw/zinc/59/20/83/802592083.db2.gz RDCMVTIYRRMDIU-UHFFFAOYSA-N 1 0 283.799 3.401 20 10 CGCDRO c1cc2c(cc1C[NH2+][C@H]1CCOC13CCCC3)CCCO2 ZINC001119987154 802720505 /nfs/dbraw/zinc/72/05/05/802720505.db2.gz LFLQRWCRBNBMJP-KRWDZBQOSA-N 1 0 287.403 3.203 20 10 CGCDRO Cc1cnc(C(C)(C)[NH2+]Cc2ccc(N)cc2)s1 ZINC001120370587 802742885 /nfs/dbraw/zinc/74/28/85/802742885.db2.gz BGUQHEWZFAJOFQ-UHFFFAOYSA-N 1 0 261.394 3.059 20 10 CGCDRO Cc1cccc(C[NH2+][C@H]2CCCN(C3CCCC3)C2)c1O ZINC001256906339 807007842 /nfs/dbraw/zinc/00/78/42/807007842.db2.gz ADVNYNTUNXNLDE-INIZCTEOSA-N 1 0 288.435 3.197 20 10 CGCDRO Cc1cc(/C=C/C2CC[NH2+]CC2)cc(C)c1N(C)C ZINC001243896988 803066789 /nfs/dbraw/zinc/06/67/89/803066789.db2.gz UHYUKBSMUQLKLY-AATRIKPKSA-N 1 0 258.409 3.382 20 10 CGCDRO Cc1c(C[N@H+]2CC[C@@H](C)[C@@H](O)CC2)c2ccccc2n1C ZINC001138252277 803879670 /nfs/dbraw/zinc/87/96/70/803879670.db2.gz AKPLSGHEHSBRTR-ACJLOTCBSA-N 1 0 286.419 3.080 20 10 CGCDRO Cc1c(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)c2ccccc2n1C ZINC001138252781 803881105 /nfs/dbraw/zinc/88/11/05/803881105.db2.gz UWPAAFJHGFAKMN-BEFAXECRSA-N 1 0 298.430 3.488 20 10 CGCDRO Cc1c(C[N@@H+]2CCC[C@H]2C(C)(C)O)c2ccccc2n1C ZINC001138257898 803881251 /nfs/dbraw/zinc/88/12/51/803881251.db2.gz CBTYOZLCLWQMLX-KRWDZBQOSA-N 1 0 286.419 3.222 20 10 CGCDRO Cc1c(C[N@H+]2C[C@@H](C)[C@@H](F)C2)c2ccccc2n1C ZINC001138252860 803881753 /nfs/dbraw/zinc/88/17/53/803881753.db2.gz XAENZXZMASLSLR-ABAIWWIYSA-N 1 0 260.356 3.277 20 10 CGCDRO Cc1c(CN2CCC[C@H]([NH+](C)C)C2)c2ccccc2n1C ZINC001138256731 803881861 /nfs/dbraw/zinc/88/18/61/803881861.db2.gz IRMINLZJYHMMII-HNNXBMFYSA-N 1 0 285.435 3.013 20 10 CGCDRO Cc1c(CN2CCC[C@H]3C[N@H+](C)C[C@H]32)c2ccccc2n1C ZINC001138257966 803883550 /nfs/dbraw/zinc/88/35/50/803883550.db2.gz FUNCTPDDLNQMNR-HNAYVOBHSA-N 1 0 297.446 3.013 20 10 CGCDRO Cc1c(C[N@H+](C)[C@@H]2CCCOC2)c2ccccc2n1C ZINC001138259846 803885209 /nfs/dbraw/zinc/88/52/09/803885209.db2.gz PGHNDPXWGJVTEX-CQSZACIVSA-N 1 0 272.392 3.098 20 10 CGCDRO CN1CCCc2cc(C[N@H+](C)CCc3ccccn3)ccc21 ZINC001138355018 803900362 /nfs/dbraw/zinc/90/03/62/803900362.db2.gz YPJYDFLLRGDUGU-UHFFFAOYSA-N 1 0 295.430 3.139 20 10 CGCDRO CCOC1CC[NH+](Cc2ccc3c(c2)CCCN3C)CC1 ZINC001138357561 803902537 /nfs/dbraw/zinc/90/25/37/803902537.db2.gz IDZYUWVDSUZPJN-UHFFFAOYSA-N 1 0 288.435 3.070 20 10 CGCDRO O[C@]1(CNc2ccc(/N=N/c3ccccc3)cc2)CC[NH2+]C1 ZINC001245962628 804089407 /nfs/dbraw/zinc/08/94/07/804089407.db2.gz SLSPKYOXZNHPGR-SGRLSNSRSA-N 1 0 296.374 3.238 20 10 CGCDRO CC[C@@H](C)[N@H+](C)Cc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001139125364 804133686 /nfs/dbraw/zinc/13/36/86/804133686.db2.gz SULWQHVSFHWCQV-LLVKDONJSA-N 1 0 275.348 3.037 20 10 CGCDRO Cc1cc(C[N@@H+]2CC[C@@]3(C2)CCCCO3)ccc1N(C)C ZINC001139670364 804247081 /nfs/dbraw/zinc/24/70/81/804247081.db2.gz LJYCRQPRIMSFOP-GOSISDBHSA-N 1 0 288.435 3.206 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)CCC1(F)F ZINC001140058309 804365019 /nfs/dbraw/zinc/36/50/19/804365019.db2.gz WUJXLBGLXQALLE-SNVBAGLBSA-N 1 0 273.298 3.399 20 10 CGCDRO C[N@H+](CCc1cccc(F)c1)Cc1cc(F)ccc1O ZINC001140060028 804365648 /nfs/dbraw/zinc/36/56/48/804365648.db2.gz HIWRBJOWQKOIQZ-UHFFFAOYSA-N 1 0 277.314 3.345 20 10 CGCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@@H](c3ccccn3)C2)c1O ZINC001140180353 804396444 /nfs/dbraw/zinc/39/64/44/804396444.db2.gz VNNOZUWGCLYJOQ-OAHLLOKOSA-N 1 0 282.387 3.394 20 10 CGCDRO CC1(F)CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC001140337806 804417771 /nfs/dbraw/zinc/41/77/71/804417771.db2.gz GKYREZDYPHWRAZ-UHFFFAOYSA-N 1 0 257.736 3.370 20 10 CGCDRO C[N@@H+](Cc1ccc(Cl)cc1O)C[C@H]1CCCCO1 ZINC001140467260 804442879 /nfs/dbraw/zinc/44/28/79/804442879.db2.gz SJHOPGINHQGRPD-CYBMUJFWSA-N 1 0 269.772 3.047 20 10 CGCDRO CO[C@H]1CC[N@H+](Cc2ccc(Cl)cc2O)[C@H](C)C1 ZINC001140468603 804443558 /nfs/dbraw/zinc/44/35/58/804443558.db2.gz QGULFBUZMXDUMM-MFKMUULPSA-N 1 0 269.772 3.045 20 10 CGCDRO Cc1cc(C[N@@H+](C)Cc2ccccc2O)ccc1O ZINC001140576747 804465278 /nfs/dbraw/zinc/46/52/78/804465278.db2.gz AMZHTKCFKOPSIY-UHFFFAOYSA-N 1 0 257.333 3.038 20 10 CGCDRO C[N@H+](CCc1ccccc1F)Cc1c([O-])cc(F)cc1F ZINC001140585594 804468453 /nfs/dbraw/zinc/46/84/53/804468453.db2.gz PBZYZQJUWNTTRT-UHFFFAOYSA-N 1 0 295.304 3.484 20 10 CGCDRO COc1ccc(CC[N@H+](C)Cc2cc(C)ccc2O)cc1 ZINC001140622741 804476441 /nfs/dbraw/zinc/47/64/41/804476441.db2.gz FKBNWVSSAKHBAQ-UHFFFAOYSA-N 1 0 285.387 3.384 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2C[C@@H](CF)[C@H](C(F)(F)F)C2)c1 ZINC001140617112 804476864 /nfs/dbraw/zinc/47/68/64/804476864.db2.gz FMRQUYSJRIZCJG-VXGBXAGGSA-N 1 0 291.288 3.280 20 10 CGCDRO Cc1c(O)ccc(C[NH+]2C[C@H]3CCCC[C@@H]3C2)c1O ZINC001140742545 804502949 /nfs/dbraw/zinc/50/29/49/804502949.db2.gz RJXJGCBCWSJKLY-CHWSQXEVSA-N 1 0 261.365 3.028 20 10 CGCDRO Cc1c(O)ccc(C[N@@H+]2CCc3ccsc3C2)c1O ZINC001140746093 804503667 /nfs/dbraw/zinc/50/36/67/804503667.db2.gz UVRUPTLRBHOWBN-UHFFFAOYSA-N 1 0 275.373 3.026 20 10 CGCDRO Cc1ccc(C[NH+]2CCC3(CC(F)C3)CC2)c(O)c1 ZINC001140948152 804555913 /nfs/dbraw/zinc/55/59/13/804555913.db2.gz VVLKBYLTJJWIOS-UHFFFAOYSA-N 1 0 263.356 3.415 20 10 CGCDRO COc1cc(O)c(C[N@H+](CC2CC2)C(C)C)c(OC)c1 ZINC001141028071 804575705 /nfs/dbraw/zinc/57/57/05/804575705.db2.gz ADFARFZWMISLGY-UHFFFAOYSA-N 1 0 279.380 3.030 20 10 CGCDRO c1c(C[NH+]2CC3CC(C3)C2)cc2c3c1CCCN3CCC2 ZINC001141078470 804585887 /nfs/dbraw/zinc/58/58/87/804585887.db2.gz WZOKRWDAKXPOBJ-UHFFFAOYSA-N 1 0 282.431 3.227 20 10 CGCDRO CC[C@H]1CCCC[N@@H+]1Cc1ccc2c(c1)OCCN2C ZINC001141143819 804596877 /nfs/dbraw/zinc/59/68/77/804596877.db2.gz LKYQYVWQRNGXHB-HNNXBMFYSA-N 1 0 274.408 3.280 20 10 CGCDRO Cc1ccc(C[N@@H+](C)Cc2cc(O)ccc2O)cc1C ZINC001141162218 804601646 /nfs/dbraw/zinc/60/16/46/804601646.db2.gz NBDPVWDZYNQHQO-UHFFFAOYSA-N 1 0 271.360 3.347 20 10 CGCDRO COc1ccccc1[C@@H](C)[N@H+](C)Cc1cc(O)ccc1O ZINC001141161793 804601841 /nfs/dbraw/zinc/60/18/41/804601841.db2.gz YMVJCANBXVYMND-GFCCVEGCSA-N 1 0 287.359 3.299 20 10 CGCDRO C[C@H]1CN(Cc2cc(O)ccc2O)[C@@H](c2ccccc2)CO1 ZINC001141162970 804602278 /nfs/dbraw/zinc/60/22/78/804602278.db2.gz MXNGHBICJZAXBR-SUMWQHHRSA-N 1 0 299.370 3.060 20 10 CGCDRO C[N@@H+](Cc1cc(F)c(F)cc1[O-])C[C@H]1CC1(C)C ZINC001142527559 804733987 /nfs/dbraw/zinc/73/39/87/804733987.db2.gz ZBIZKQWJPCJNND-SNVBAGLBSA-N 1 0 255.308 3.148 20 10 CGCDRO CC(C)(C)c1cccc(C[N@H+]2[C@@H]3CC[C@H]2CC(=O)C3)c1O ZINC001143105239 804801022 /nfs/dbraw/zinc/80/10/22/804801022.db2.gz NVDBTEVTHWJQOE-OKILXGFUSA-N 1 0 287.403 3.386 20 10 CGCDRO CC(C)(C)c1cccc(C[NH+]2CC3(C2)CCOCC3)c1O ZINC001143110528 804803097 /nfs/dbraw/zinc/80/30/97/804803097.db2.gz IFHUKWHTDJDGTM-UHFFFAOYSA-N 1 0 289.419 3.302 20 10 CGCDRO CC(C)(C)c1cccc(C[NH+]2CCC3(CCO3)CC2)c1O ZINC001143112364 804803500 /nfs/dbraw/zinc/80/35/00/804803500.db2.gz RCNYWHBITVIBDI-UHFFFAOYSA-N 1 0 289.419 3.445 20 10 CGCDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)Cc1ccc(O)cn1 ZINC001144259738 804963259 /nfs/dbraw/zinc/96/32/59/804963259.db2.gz XEDMLZWVBQUOCD-UHFFFAOYSA-N 1 0 297.402 3.019 20 10 CGCDRO Cc1cc(C)c(C[NH2+]C2C[C@@H](C)O[C@H](C)C2)c(O)c1 ZINC001257083345 807047222 /nfs/dbraw/zinc/04/72/22/807047222.db2.gz HCOIFPPLZMUPPP-CHWSQXEVSA-N 1 0 263.381 3.055 20 10 CGCDRO CC(C)=CCC[C@H](C)[NH2+]CCc1ccc(O)c(O)c1 ZINC001258076297 807294809 /nfs/dbraw/zinc/29/48/09/807294809.db2.gz KBOYOWAAZBBZCB-ZDUSSCGKSA-N 1 0 263.381 3.365 20 10 CGCDRO C[C@@H](Cc1ccco1)[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC001258200745 807360070 /nfs/dbraw/zinc/36/00/70/807360070.db2.gz WLZFJVHVYWEQCP-AWEZNQCLSA-N 1 0 272.392 3.409 20 10 CGCDRO COc1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc(OC)c(C)c1)C2 ZINC001168244082 807364756 /nfs/dbraw/zinc/36/47/56/807364756.db2.gz LZDFORMGKBXLOY-KRWDZBQOSA-N 1 0 297.398 3.269 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)Cc1cccnc1)c1ccccc1O ZINC001258614738 807510609 /nfs/dbraw/zinc/51/06/09/807510609.db2.gz UWUPNTJXTVRDPK-QWHCGFSZSA-N 1 0 256.349 3.069 20 10 CGCDRO CC[C@@H](C)C[C@H](CC)[NH2+]Cc1ccc(O)c(O)c1 ZINC001258782324 807609694 /nfs/dbraw/zinc/60/96/94/807609694.db2.gz OAGGKBPJDVSPGS-YPMHNXCESA-N 1 0 251.370 3.402 20 10 CGCDRO CCN1CCC([NH2+]Cc2cc3ccccc3cc2O)CC1 ZINC001169233080 807611552 /nfs/dbraw/zinc/61/15/52/807611552.db2.gz JREFBUDHWZXIRG-UHFFFAOYSA-N 1 0 284.403 3.119 20 10 CGCDRO Cc1c([C@@H](C)[NH2+][C@H](C)c2ccc(Cl)cc2O)cnn1C ZINC001261374673 807740236 /nfs/dbraw/zinc/74/02/36/807740236.db2.gz QJWSFOOTMYBHRV-NXEZZACHSA-N 1 0 293.798 3.499 20 10 CGCDRO CC[C@H]1C[C@@H]([N@H+](CC)Cc2ccccc2O)CCO1 ZINC001170235219 807799464 /nfs/dbraw/zinc/79/94/64/807799464.db2.gz KUYJVHGPZPPKIU-GJZGRUSLSA-N 1 0 263.381 3.172 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCSC[C@H]2C2CC2)cc1 ZINC001170460749 807846799 /nfs/dbraw/zinc/84/67/99/807846799.db2.gz SEYADWIFUXFOLG-KRWDZBQOSA-N 1 0 290.476 3.470 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@H]2Cc3cccc(F)c3C2)cc1 ZINC001171783075 808139168 /nfs/dbraw/zinc/13/91/68/808139168.db2.gz JRBVBGSKJKXXDZ-HNNXBMFYSA-N 1 0 284.378 3.149 20 10 CGCDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)[C@H]1COC(C)(C)C1 ZINC001172286196 808213700 /nfs/dbraw/zinc/21/37/00/808213700.db2.gz GCEOEPCUBIWYFT-QGZVFWFLSA-N 1 0 288.435 3.286 20 10 CGCDRO CC(C)OC(=O)CC[C@@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC001172744087 808427257 /nfs/dbraw/zinc/42/72/57/808427257.db2.gz OGICJGJGUUSLJL-OLZOCXBDSA-N 1 0 279.380 3.163 20 10 CGCDRO CO[C@@H]1CCC[C@@H]([NH2+]Cc2c(C)cc(C)cc2O)C1 ZINC001172926105 808483182 /nfs/dbraw/zinc/48/31/82/808483182.db2.gz OEQPSTSGTBVXIP-ZIAGYGMSSA-N 1 0 263.381 3.056 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H](OC)C2)cc1C ZINC001172925918 808483269 /nfs/dbraw/zinc/48/32/69/808483269.db2.gz LTCQEONGFYIEFB-CABCVRRESA-N 1 0 263.381 3.051 20 10 CGCDRO Cc1cc(C)c(C[NH2+][C@H]2CCc3ncsc3C2)c(O)c1 ZINC001173131212 808522497 /nfs/dbraw/zinc/52/24/97/808522497.db2.gz KGZMWPHGKIMTOP-LBPRGKRZSA-N 1 0 288.416 3.113 20 10 CGCDRO CCc1ccc(C[C@H](C)[NH2+]CCc2ccc(O)c(O)c2)cc1 ZINC001173235962 808544727 /nfs/dbraw/zinc/54/47/27/808544727.db2.gz PSOJFZPCTPDZAD-AWEZNQCLSA-N 1 0 299.414 3.424 20 10 CGCDRO CCc1ccc(C[C@@H](C)[NH2+]Cc2ccc(O)c(O)c2)cc1 ZINC001173241058 808548647 /nfs/dbraw/zinc/54/86/47/808548647.db2.gz FQJDKJZNEYOHSO-CYBMUJFWSA-N 1 0 285.387 3.381 20 10 CGCDRO Cc1c[nH+]ccc1Nc1cc(Br)cc(F)c1O ZINC001174539010 809071639 /nfs/dbraw/zinc/07/16/39/809071639.db2.gz UNPKIOLIWOQOFG-UHFFFAOYSA-N 1 0 297.127 3.163 20 10 CGCDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2CCCC23CC3)cc1F ZINC001179321290 809915219 /nfs/dbraw/zinc/91/52/19/809915219.db2.gz SQSFCTRHECTJJH-OAHLLOKOSA-N 1 0 280.362 3.453 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H]1C1CC1 ZINC001180002473 809967683 /nfs/dbraw/zinc/96/76/83/809967683.db2.gz WZVKZDNNJWTHHT-QGZVFWFLSA-N 1 0 258.409 3.435 20 10 CGCDRO CC[N@@H+]1C[C@@H](C)N(Cc2cc(Cl)c(C)cc2O)C[C@H]1C ZINC001180141334 809976908 /nfs/dbraw/zinc/97/69/08/809976908.db2.gz GEWQCMGWZPMMFY-CHWSQXEVSA-N 1 0 296.842 3.269 20 10 CGCDRO CC(C)OCC(C)(C)[NH2+]Cc1ccc(Cl)cc1O ZINC001182327246 810106439 /nfs/dbraw/zinc/10/64/39/810106439.db2.gz QWFHIHODSCUZMD-UHFFFAOYSA-N 1 0 271.788 3.339 20 10 CGCDRO CC(C)C[N@H+](C)CCC[NH2+]Cc1ccc(Cl)cc1[O-] ZINC001182714934 810121345 /nfs/dbraw/zinc/12/13/45/810121345.db2.gz ONIYZZKQHUGRNN-UHFFFAOYSA-N 1 0 284.831 3.113 20 10 CGCDRO CCN(C[C@@H](COC)C(C)C)c1ccc(OC)cc1 ZINC001191840349 810749832 /nfs/dbraw/zinc/74/98/32/810749832.db2.gz XKRFBVBLBSKFCP-AWEZNQCLSA-N 1 0 265.397 3.440 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H]3OCC[C@@H]32)cc1C ZINC001200971425 811776846 /nfs/dbraw/zinc/77/68/46/811776846.db2.gz MKDJQZJLLGKHIX-BFYDXBDKSA-N 1 0 275.392 3.051 20 10 CGCDRO CC(C)OCC[NH+](CCOC(C)C)Cc1ccccc1O ZINC001203556963 812390312 /nfs/dbraw/zinc/39/03/12/812390312.db2.gz XWQTWFBQDIEGML-UHFFFAOYSA-N 1 0 295.423 3.044 20 10 CGCDRO COc1ccc(C[NH+]2CCC3(CC(F)C3)CC2)c(O)c1 ZINC001203621910 812409217 /nfs/dbraw/zinc/40/92/17/812409217.db2.gz JVLSZTPAWSJDOI-UHFFFAOYSA-N 1 0 279.355 3.115 20 10 CGCDRO COc1ccc(C[N@@H+]2CC[C@H](Oc3ccccc3)C2)c(O)c1 ZINC001203629947 812411092 /nfs/dbraw/zinc/41/10/92/812411092.db2.gz OEVTUGJOTKKNMU-KRWDZBQOSA-N 1 0 299.370 3.054 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH+]1CCC2(C[C@H](F)CO2)CC1 ZINC001203664344 812421974 /nfs/dbraw/zinc/42/19/74/812421974.db2.gz ZQCGNTVMSQWMFT-ZDUSSCGKSA-N 1 0 299.773 3.139 20 10 CGCDRO CC(C)C[NH+](Cc1ccc(O)c(O)c1)CC(C)C ZINC001203874029 812477862 /nfs/dbraw/zinc/47/78/62/812477862.db2.gz LOYYNUGPMUYNPP-UHFFFAOYSA-N 1 0 251.370 3.212 20 10 CGCDRO CC[N@H+](Cc1ccccc1)Cc1ccc(O)c(O)c1 ZINC001203874158 812478280 /nfs/dbraw/zinc/47/82/80/812478280.db2.gz QXMMQBCWTBFGIJ-UHFFFAOYSA-N 1 0 257.333 3.120 20 10 CGCDRO Oc1ccc(C[N@@H+]2CCC[C@H](c3ccccc3)C2)cc1O ZINC001203878635 812478834 /nfs/dbraw/zinc/47/88/34/812478834.db2.gz IZDYNZXTOAJOOZ-INIZCTEOSA-N 1 0 283.371 3.477 20 10 CGCDRO COc1cccc2c1C[N@H+](Cc1ccc(N(C)C)cc1)CC2 ZINC001203929509 812494875 /nfs/dbraw/zinc/49/48/75/812494875.db2.gz FEULFQCRQMQOBR-UHFFFAOYSA-N 1 0 296.414 3.320 20 10 CGCDRO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)C1CCN(C)CC1 ZINC001203936260 812496309 /nfs/dbraw/zinc/49/63/09/812496309.db2.gz FTZMYYSIUGFQNY-UHFFFAOYSA-N 1 0 289.467 3.057 20 10 CGCDRO C[C@H]1CC[C@@H](CO)[N@@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001204234015 812581471 /nfs/dbraw/zinc/58/14/71/812581471.db2.gz WAUFJSDUPCMSCF-HOCLYGCPSA-N 1 0 298.430 3.251 20 10 CGCDRO c1cc(N2CCCC2)ccc1C[N@@H+]1CCC[C@@]2(CCO2)C1 ZINC001204322312 812612427 /nfs/dbraw/zinc/61/24/27/812612427.db2.gz QOZQRGWNIWHRKH-GOSISDBHSA-N 1 0 286.419 3.042 20 10 CGCDRO CC[N@H+](Cc1cc(O)c(O)c(OC)c1)C1CCCCC1 ZINC001204340145 812616039 /nfs/dbraw/zinc/61/60/39/812616039.db2.gz FHSCLCUQBHETJQ-UHFFFAOYSA-N 1 0 279.380 3.261 20 10 CGCDRO Cc1cc(CN2CC[C@](C)([NH3+])C2)c(C)n1-c1ccccc1 ZINC001204770095 812730961 /nfs/dbraw/zinc/73/09/61/812730961.db2.gz AUPMJCNDPMHLIC-SFHVURJKSA-N 1 0 283.419 3.017 20 10 CGCDRO C[C@@H]1Cc2cc(C[N@H+](C)Cc3ccccc3O)ccc2O1 ZINC001204826919 812748388 /nfs/dbraw/zinc/74/83/88/812748388.db2.gz ODBNLICTRPSTCL-CYBMUJFWSA-N 1 0 283.371 3.348 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCn2cccc2[C@H]1C ZINC001205093669 812858279 /nfs/dbraw/zinc/85/82/79/812858279.db2.gz JKMYUVIIDURLLY-OAHLLOKOSA-N 1 0 283.419 3.439 20 10 CGCDRO CCCN(C[C@@H](OC)[C@H](C)CC)c1ccc(C[NH3+])cc1 ZINC001205657014 813043766 /nfs/dbraw/zinc/04/37/66/813043766.db2.gz WUEKWBNPGQYJPC-RHSMWYFYSA-N 1 0 278.440 3.423 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2C[C@H](C)CC[C@@H]2CN)c(O)c1 ZINC001205856296 813110330 /nfs/dbraw/zinc/11/03/30/813110330.db2.gz UMTYLAPYBZGEFI-CZUORRHYSA-N 1 0 276.424 3.075 20 10 CGCDRO CCN(Cc1ccccc1O)Cc1c(F)cncc1F ZINC001206859475 813456075 /nfs/dbraw/zinc/45/60/75/813456075.db2.gz BZDNKSWLEDFFJS-UHFFFAOYSA-N 1 0 278.302 3.088 20 10 CGCDRO CCN(Cc1ccccc1O)Cc1ncc(F)cc1F ZINC001207100325 813485779 /nfs/dbraw/zinc/48/57/79/813485779.db2.gz ZJAWQXGWAJWSDV-UHFFFAOYSA-N 1 0 278.302 3.088 20 10 CGCDRO CC[C@H](C[C@@H](C)O)[NH2+]Cc1cc(C(C)C)ccc1O ZINC001207225764 813518239 /nfs/dbraw/zinc/51/82/39/813518239.db2.gz PHHBAQKVQMWHOJ-IUODEOHRSA-N 1 0 265.397 3.155 20 10 CGCDRO CCc1onc(C)c1C[NH2+]Cc1ccc(Cl)cc1O ZINC001207658558 813629627 /nfs/dbraw/zinc/62/96/27/813629627.db2.gz PJDGZZQAVPTJAK-UHFFFAOYSA-N 1 0 280.755 3.194 20 10 CGCDRO Oc1cccc2c1C[N@H+](CCc1cccc(F)c1)CC2 ZINC001208198464 813742635 /nfs/dbraw/zinc/74/26/35/813742635.db2.gz HMBSOVSPJFUASJ-UHFFFAOYSA-N 1 0 271.335 3.132 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CCCC[C@@H]2CO)cc1 ZINC001209519451 814073725 /nfs/dbraw/zinc/07/37/25/814073725.db2.gz VASVMFIYZWNKMW-LJQANCHMSA-N 1 0 298.430 3.441 20 10 CGCDRO FC1(F)CCC(Oc2ccc(N3CC[NH2+]CC3)cc2)CC1 ZINC001218211489 816129349 /nfs/dbraw/zinc/12/93/49/816129349.db2.gz BOQSJQCDXIDNJM-UHFFFAOYSA-N 1 0 296.361 3.053 20 10 CGCDRO Oc1cc(Cl)ccc1CN1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222272267 816392700 /nfs/dbraw/zinc/39/27/00/816392700.db2.gz PPASEAAZWOMVKC-INIZCTEOSA-N 1 0 294.826 3.011 20 10 CGCDRO C[C@@H]1CN(C)[C@@H](C)C[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC001231586237 818130514 /nfs/dbraw/zinc/13/05/14/818130514.db2.gz DWHVQRZMMCOQPI-UONOGXRCSA-N 1 0 284.403 3.070 20 10 CGCDRO Cc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)c1O ZINC001231591958 818131306 /nfs/dbraw/zinc/13/13/06/818131306.db2.gz MXTXGZLFDJFVST-BETUJISGSA-N 1 0 267.319 3.178 20 10 CGCDRO O=C1CCC[C@H]2C[N@@H+](Cc3c(O)ccc4ccccc43)C[C@H]12 ZINC001231590630 818131534 /nfs/dbraw/zinc/13/15/34/818131534.db2.gz CITMIYAYXJSUMV-HOCLYGCPSA-N 1 0 295.382 3.346 20 10 CGCDRO COc1ccc(CC[N@H+](C)Cc2cccc(C)c2O)cc1 ZINC001231593457 818131674 /nfs/dbraw/zinc/13/16/74/818131674.db2.gz ZNVZIKNGBFOKKH-UHFFFAOYSA-N 1 0 285.387 3.384 20 10 CGCDRO COc1cc(C[N@@H+]2CC[C@H]3CCCC[C@H]3C2)c(O)cc1O ZINC001231634874 818143540 /nfs/dbraw/zinc/14/35/40/818143540.db2.gz AWUWRKQYTANJEZ-OLZOCXBDSA-N 1 0 291.391 3.119 20 10 CGCDRO Cc1cc(C)c(C[N@@H+]2CCC[C@@H](F)CC2)c(O)c1 ZINC001231841861 818186119 /nfs/dbraw/zinc/18/61/19/818186119.db2.gz FDRJRAHBVUCIOM-CYBMUJFWSA-N 1 0 251.345 3.333 20 10 CGCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H](C)[C@@H]1C ZINC001231853881 818189464 /nfs/dbraw/zinc/18/94/64/818189464.db2.gz SXSOTUVFXTTYCV-KBPBESRZSA-N 1 0 276.424 3.382 20 10 CGCDRO Cc1cc(C)c(C[N@@H+]2CC[C@]3(C2)CC(F)(F)CO3)c(O)c1 ZINC001231849159 818189466 /nfs/dbraw/zinc/18/94/66/818189466.db2.gz OZFSFJKOLAXOAB-OAHLLOKOSA-N 1 0 297.345 3.009 20 10 CGCDRO Cc1cc(O)c(CN2CC[C@@H]([N@H+](C)C3CC3)C2)cc1Cl ZINC001231870245 818194583 /nfs/dbraw/zinc/19/45/83/818194583.db2.gz PNFYAYPSKONDMU-CQSZACIVSA-N 1 0 294.826 3.023 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)cc1Cl ZINC001231869824 818194728 /nfs/dbraw/zinc/19/47/28/818194728.db2.gz ZWIGDMSIUOHLAD-MLGOLLRUSA-N 1 0 295.810 3.355 20 10 CGCDRO C[N@H+](Cc1cccc(O)c1)Cc1cc(Cl)c(O)cc1O ZINC001232261015 818295075 /nfs/dbraw/zinc/29/50/75/818295075.db2.gz VALAOSREBSSBJE-UHFFFAOYSA-N 1 0 293.750 3.089 20 10 CGCDRO Oc1cc(O)c(C[N@@H+]2CC[C@@H]3CCC[C@@H]3C2)cc1Cl ZINC001232257958 818295302 /nfs/dbraw/zinc/29/53/02/818295302.db2.gz NLYWMRCETJHOPJ-WDEREUQCSA-N 1 0 281.783 3.373 20 10 CGCDRO CCC[N@@H+](Cc1cc(Cl)c(O)cc1O)CC1CC1 ZINC001232258731 818295406 /nfs/dbraw/zinc/29/54/06/818295406.db2.gz MKGPUETWBPDRFN-UHFFFAOYSA-N 1 0 269.772 3.373 20 10 CGCDRO COc1cc(O)c(C[N@H+](C)Cc2cccnc2)cc1Cl ZINC001232266536 818297836 /nfs/dbraw/zinc/29/78/36/818297836.db2.gz WBWRFJMYHGYHQQ-UHFFFAOYSA-N 1 0 292.766 3.081 20 10 CGCDRO CC(C)[N@@H+](Cc1cc(Cl)c(O)cc1O)CC1CC1 ZINC001232264365 818298057 /nfs/dbraw/zinc/29/80/57/818298057.db2.gz ARFXPROQFIKXDO-UHFFFAOYSA-N 1 0 269.772 3.372 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](CF)C2)cc1Cl ZINC001232269604 818300242 /nfs/dbraw/zinc/30/02/42/818300242.db2.gz GLVPAOYREUHDNY-SNVBAGLBSA-N 1 0 287.762 3.236 20 10 CGCDRO COCc1ccc(C[N@@H+]2CCc3cccc(O)c3C2)cc1 ZINC001232302239 818306929 /nfs/dbraw/zinc/30/69/29/818306929.db2.gz KJKVTHRECHZZLG-UHFFFAOYSA-N 1 0 283.371 3.097 20 10 CGCDRO CC[C@H](C)[N@H+](C)Cc1c2ccccc2n(C)c1C(=O)OC ZINC001232401103 818339166 /nfs/dbraw/zinc/33/91/66/818339166.db2.gz PPLDBNAFKLDMMP-LBPRGKRZSA-N 1 0 288.391 3.195 20 10 CGCDRO COC(=O)c1c(C[N@H+](C)CC(C)C)c2ccccc2n1C ZINC001232402109 818340165 /nfs/dbraw/zinc/34/01/65/818340165.db2.gz TWOIVYMLXLVQSQ-UHFFFAOYSA-N 1 0 288.391 3.053 20 10 CGCDRO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1ccc(N(C)C)cc1O ZINC001232835192 818451873 /nfs/dbraw/zinc/45/18/73/818451873.db2.gz ZDMQPDIAOJGUJP-CHWSQXEVSA-N 1 0 262.397 3.221 20 10 CGCDRO C[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(N(C)C)cc1O ZINC001232841087 818453403 /nfs/dbraw/zinc/45/34/03/818453403.db2.gz RVRSINPALBBBLO-AWEZNQCLSA-N 1 0 296.414 3.405 20 10 CGCDRO Cc1ccc([C@H]2CCC[N@@H+]2Cc2cc(O)c(O)c(O)c2)cc1 ZINC001233013650 818502851 /nfs/dbraw/zinc/50/28/51/818502851.db2.gz RMJXSOBRYJNKPB-OAHLLOKOSA-N 1 0 299.370 3.449 20 10 CGCDRO COC[C@H]1CCC[N@@H+]1Cc1cc(C(C)(C)C)ccc1O ZINC001233283955 818565325 /nfs/dbraw/zinc/56/53/25/818565325.db2.gz CCYUMFYNFZNXHF-OAHLLOKOSA-N 1 0 277.408 3.301 20 10 CGCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CCCC[C@H](O)C2)c1 ZINC001233284200 818566732 /nfs/dbraw/zinc/56/67/32/818566732.db2.gz LYQPPTAEYDSSLX-HNNXBMFYSA-N 1 0 277.408 3.037 20 10 CGCDRO CC(=O)[C@@H]1CCC[N@H+](Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001233286046 818567269 /nfs/dbraw/zinc/56/72/69/818567269.db2.gz CGLFQHCNCLKYNX-CQSZACIVSA-N 1 0 289.419 3.491 20 10 CGCDRO COC[C@H]1CC[N@H+](Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001233284261 818567982 /nfs/dbraw/zinc/56/79/82/818567982.db2.gz NYHNVENSEZAPCP-ZDUSSCGKSA-N 1 0 277.408 3.158 20 10 CGCDRO COC1CC[NH+](Cc2ccc(C(F)(F)F)cc2O)CC1 ZINC001233451353 818623174 /nfs/dbraw/zinc/62/31/74/818623174.db2.gz HPEJYSDORUCMMP-UHFFFAOYSA-N 1 0 289.297 3.022 20 10 CGCDRO CC(C)C[N@H+](C)Cc1ccc(C(F)(F)F)cc1O ZINC001233451315 818623500 /nfs/dbraw/zinc/62/35/00/818623500.db2.gz GNONCWWEJCIABA-UHFFFAOYSA-N 1 0 261.287 3.499 20 10 CGCDRO Oc1cc(O)c(C[N@H+]2CC=C(c3ccccc3)CC2)cc1O ZINC001233486565 818624777 /nfs/dbraw/zinc/62/47/77/818624777.db2.gz SHZGDQPHEHBNLM-UHFFFAOYSA-N 1 0 297.354 3.093 20 10 CGCDRO COc1ccc2ccc(O)c(C[N@@H+]3C[C@H](F)C[C@H]3C)c2c1 ZINC001234526563 818874695 /nfs/dbraw/zinc/87/46/95/818874695.db2.gz XAOVBFHCBSJCCQ-DGCLKSJQSA-N 1 0 289.350 3.486 20 10 CGCDRO C[C@@H]1C[C@@H](O)CC[N@@H+]1Cc1cccc(-c2ccccc2)c1O ZINC001234993740 818972538 /nfs/dbraw/zinc/97/25/38/818972538.db2.gz BDBQSDBGDCDXMG-PBHICJAKSA-N 1 0 297.398 3.404 20 10 CGCDRO Oc1c(C[NH+]2CC3(C2)CCCO3)cccc1-c1ccccc1 ZINC001235000466 818974504 /nfs/dbraw/zinc/97/45/04/818974504.db2.gz IKBVHEZAJXVCFH-UHFFFAOYSA-N 1 0 295.382 3.424 20 10 CGCDRO C[C@H]1CC[C@@H](CO)[N@@H+]1Cc1cccc(-c2ccccc2)c1O ZINC001235000077 818975015 /nfs/dbraw/zinc/97/50/15/818975015.db2.gz HNMUGWZPIQWZTI-YOEHRIQHSA-N 1 0 297.398 3.404 20 10 CGCDRO Oc1c(C[N@@H+]2CC[C@@]23CCOC3)cccc1-c1ccccc1 ZINC001234999386 818975191 /nfs/dbraw/zinc/97/51/91/818975191.db2.gz VESWVAOLAOTEKG-IBGZPJMESA-N 1 0 295.382 3.424 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(CN2CCC[C@H]3[NH2+]C[C@@H]32)cc1 ZINC001235304015 819065625 /nfs/dbraw/zinc/06/56/25/819065625.db2.gz ZPPBOYYKBLRIAA-MOPGFXCFSA-N 1 0 295.430 3.030 20 10 CGCDRO C[C@@H]1CC[C@H]([NH3+])CN1Cc1cccc(-c2ccccc2)c1O ZINC001235905022 819215030 /nfs/dbraw/zinc/21/50/30/819215030.db2.gz KNIKVALVXJDABW-PBHICJAKSA-N 1 0 296.414 3.371 20 10 CGCDRO CCN(Cc1ccc(N(C)C)c2ccccc12)[C@@H]1CC[NH2+]C1 ZINC001235970127 819253547 /nfs/dbraw/zinc/25/35/47/819253547.db2.gz IZJLNPWHOYNTDV-MRXNPFEDSA-N 1 0 297.446 3.090 20 10 CGCDRO CCCN(Cc1cc2ccccc2cc1O)[C@H]1CC[NH2+]C1 ZINC001236323266 819425637 /nfs/dbraw/zinc/42/56/37/819425637.db2.gz CFZKFTHYWINIJJ-KRWDZBQOSA-N 1 0 284.403 3.119 20 10 CGCDRO CC(C)N(Cc1ccc2ccccc2c1O)[C@@H]1CC[NH2+]C1 ZINC001236531504 819523411 /nfs/dbraw/zinc/52/34/11/819523411.db2.gz ZQOYHTBHDDFIBF-MRXNPFEDSA-N 1 0 284.403 3.118 20 10 CGCDRO CCc1ccc(C[N@H+](C)C[C@@H]2Cc3ccccc3O2)c(O)c1 ZINC001236786695 819594803 /nfs/dbraw/zinc/59/48/03/819594803.db2.gz DSKRWAZWTYLAQC-KRWDZBQOSA-N 1 0 297.398 3.390 20 10 CGCDRO CCc1ccc(C[N@@H+]2CCc3nc(C)sc3C2)c(O)c1 ZINC001236787331 819596059 /nfs/dbraw/zinc/59/60/59/819596059.db2.gz BEXGSOFCDRNBNW-UHFFFAOYSA-N 1 0 288.416 3.278 20 10 CGCDRO CCc1ccc(C[N@H+](C)CCc2cccnc2)c(O)c1 ZINC001236795333 819596890 /nfs/dbraw/zinc/59/68/90/819596890.db2.gz UHRMUZWOKVIURK-UHFFFAOYSA-N 1 0 270.376 3.024 20 10 CGCDRO CCc1ccc(C[N@@H+]2CCC[C@H](C(F)F)C2)c(O)c1 ZINC001236793824 819597221 /nfs/dbraw/zinc/59/72/21/819597221.db2.gz FNZRBSTZDDMYOW-ZDUSSCGKSA-N 1 0 269.335 3.432 20 10 CGCDRO CCc1ccc(C[NH+]2CCC3(CCCO3)CC2)c(O)c1 ZINC001236794654 819597843 /nfs/dbraw/zinc/59/78/43/819597843.db2.gz NLHFMCWIQHCBEW-UHFFFAOYSA-N 1 0 275.392 3.100 20 10 CGCDRO CCc1ccc(C[N@@H+]2CC[C@H](COCC3CC3)C2)c(O)c1 ZINC001236793494 819598376 /nfs/dbraw/zinc/59/83/76/819598376.db2.gz XBRNOYWORHAORA-INIZCTEOSA-N 1 0 289.419 3.203 20 10 CGCDRO COc1cc(O)c(C[N@H+](C)C[C@H]2CCCCO2)c(Cl)c1 ZINC001236797811 819598827 /nfs/dbraw/zinc/59/88/27/819598827.db2.gz AWMYPTVPDLWJCP-LLVKDONJSA-N 1 0 299.798 3.055 20 10 CGCDRO COC[C@H]1CCCC[N@@H+]1Cc1c(O)cc(OC)cc1Cl ZINC001236800467 819600033 /nfs/dbraw/zinc/60/00/33/819600033.db2.gz ZIWKTVBUHQHABI-LLVKDONJSA-N 1 0 299.798 3.055 20 10 CGCDRO COc1cc(C)c(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)c(O)c1 ZINC001236806794 819602403 /nfs/dbraw/zinc/60/24/03/819602403.db2.gz BDQMPCWGXTZYQQ-OKILXGFUSA-N 1 0 275.392 3.331 20 10 CGCDRO Oc1cc2ccccc2cc1C[N@@H+]1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001236826481 819610659 /nfs/dbraw/zinc/61/06/59/819610659.db2.gz KYPYNEBXGVXDFD-BPUTZDHNSA-N 1 0 271.335 3.335 20 10 CGCDRO Oc1cc2ccccc2cc1CN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001236842741 819618966 /nfs/dbraw/zinc/61/89/66/819618966.db2.gz XXJCABGVVPGMLM-GOSISDBHSA-N 1 0 296.414 3.216 20 10 CGCDRO CCOc1ccc(C[NH+]2C[C@@H]3CCC[C@H]3C2)c(O)c1 ZINC001237043893 819648652 /nfs/dbraw/zinc/64/86/52/819648652.db2.gz KLJAFAZNVNVISO-STQMWFEESA-N 1 0 261.365 3.023 20 10 CGCDRO CC(C)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c(O)c1 ZINC001237047610 819650703 /nfs/dbraw/zinc/65/07/03/819650703.db2.gz MSKNQBGTAORGHD-CHWSQXEVSA-N 1 0 263.381 3.125 20 10 CGCDRO CCOc1ccc(C[N@H+](C)C2CC(F)(F)C2)c(O)c1 ZINC001237046170 819650826 /nfs/dbraw/zinc/65/08/26/819650826.db2.gz YMKCRQNESBBWKZ-UHFFFAOYSA-N 1 0 271.307 3.020 20 10 CGCDRO CC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(C(C)C)cc1O ZINC001237050548 819652496 /nfs/dbraw/zinc/65/24/96/819652496.db2.gz CFAMGFKMLMDEJB-HNNXBMFYSA-N 1 0 261.365 3.069 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2CCOC[C@H]2C2CC2)c(O)c1 ZINC001237055476 819655467 /nfs/dbraw/zinc/65/54/67/819655467.db2.gz PGGBXIOJMCBNMS-INIZCTEOSA-N 1 0 275.392 3.126 20 10 CGCDRO CC[NH+](CC)Cc1c(O)cccc1OC(F)(F)F ZINC001237120605 819671639 /nfs/dbraw/zinc/67/16/39/819671639.db2.gz QSVJGRXWHKINEJ-UHFFFAOYSA-N 1 0 263.259 3.133 20 10 CGCDRO C[N@@H+](Cc1c(O)cccc1OC(F)(F)F)CC1CC1 ZINC001237120489 819672098 /nfs/dbraw/zinc/67/20/98/819672098.db2.gz QCXBCPAMRYUXLC-UHFFFAOYSA-N 1 0 275.270 3.133 20 10 CGCDRO COC[C@@H]1CCCC[N@@H+]1Cc1c(O)ccc(F)c1Cl ZINC001237122125 819672482 /nfs/dbraw/zinc/67/24/82/819672482.db2.gz SERURHLVXTYFST-JTQLQIEISA-N 1 0 287.762 3.186 20 10 CGCDRO Oc1ccc(F)c(Cl)c1C[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC001237122838 819673414 /nfs/dbraw/zinc/67/34/14/819673414.db2.gz ZNSFHAZIGQEXOT-QMTHXVAHSA-N 1 0 299.773 3.186 20 10 CGCDRO Oc1ccc(F)c(Cl)c1C[N@@H+]1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001237131812 819674613 /nfs/dbraw/zinc/67/46/13/819674613.db2.gz XMSNIHYVFBTVAU-LAEOZQHASA-N 1 0 273.710 3.117 20 10 CGCDRO [O-]c1c(Cl)cccc1C[N@H+](C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC001237155299 819681518 /nfs/dbraw/zinc/68/15/18/819681518.db2.gz IFGMRYSNSZHMFR-CQSZACIVSA-N 1 0 294.826 3.152 20 10 CGCDRO Cc1cccc(O)c1CN(CC[NH+](C)C)Cc1ccccc1 ZINC001237483962 819761999 /nfs/dbraw/zinc/76/19/99/819761999.db2.gz WPFOKNDHLRNLDV-UHFFFAOYSA-N 1 0 298.430 3.264 20 10 CGCDRO Cc1cccc(O)c1C[N@H+](C)Cc1cccc(F)c1 ZINC001237484391 819762782 /nfs/dbraw/zinc/76/27/82/819762782.db2.gz DHQBPASBUWRSTP-UHFFFAOYSA-N 1 0 259.324 3.472 20 10 CGCDRO Cc1cccc(O)c1C[NH+]1CCC2(CCCOC2)CC1 ZINC001237493512 819763752 /nfs/dbraw/zinc/76/37/52/819763752.db2.gz YYOYNTHIGHYWQO-UHFFFAOYSA-N 1 0 275.392 3.093 20 10 CGCDRO COC(=O)c1cccc(C[N@H+](C)Cc2c(C)cccc2O)c1 ZINC001237491186 819763880 /nfs/dbraw/zinc/76/38/80/819763880.db2.gz IJEMLULLKZDSSX-UHFFFAOYSA-N 1 0 299.370 3.119 20 10 CGCDRO Oc1ccc(-c2ccc(F)cc2)cc1CN1CCO[C@H]2C[C@H]21 ZINC001237648798 819796660 /nfs/dbraw/zinc/79/66/60/819796660.db2.gz HAOSWHHCPKREEY-AEFFLSMTSA-N 1 0 299.345 3.171 20 10 CGCDRO CC[C@@H]1CCCC[N@@H+]1Cc1cc(OC)cc(OC)c1O ZINC001237675696 819803239 /nfs/dbraw/zinc/80/32/39/819803239.db2.gz CQRPBDVEGWBLLK-CYBMUJFWSA-N 1 0 279.380 3.174 20 10 CGCDRO COc1cc(C[N@@H+]2CCCC[C@@](C)(F)C2)c(O)c(OC)c1 ZINC001237669147 819803348 /nfs/dbraw/zinc/80/33/48/819803348.db2.gz JBXLEIOUDQQSPU-MRXNPFEDSA-N 1 0 297.370 3.124 20 10 CGCDRO Cc1cc(Cl)cc(CN2CCOC[C@H]2C(C)C)c1O ZINC001237686740 819805750 /nfs/dbraw/zinc/80/57/50/819805750.db2.gz MREVZJXBXXUURD-AWEZNQCLSA-N 1 0 283.799 3.211 20 10 CGCDRO CC[N@H+](Cc1cccc2c1OCC2)Cc1ccccc1O ZINC001237752669 819837414 /nfs/dbraw/zinc/83/74/14/819837414.db2.gz HPGZIPRUINBYHT-UHFFFAOYSA-N 1 0 283.371 3.349 20 10 CGCDRO Cc1cc(F)cc(C[N@@H+]2CC[C@H]3CCC[C@H]3C2)c1O ZINC001238064491 819920924 /nfs/dbraw/zinc/92/09/24/819920924.db2.gz PMEQIKLKUOFNJK-OLZOCXBDSA-N 1 0 263.356 3.462 20 10 CGCDRO Cc1cc(F)cc(C[N@@H+](CCCCCO)C(C)C)c1O ZINC001238066763 819922018 /nfs/dbraw/zinc/92/20/18/819922018.db2.gz KRZICOOALHQGEO-UHFFFAOYSA-N 1 0 283.387 3.213 20 10 CGCDRO CCN(c1ccccc1)c1cc(C2=CCC[N@H+](C)C2)ncn1 ZINC001241568633 821954301 /nfs/dbraw/zinc/95/43/01/821954301.db2.gz VQPVHBFZKSZXBH-UHFFFAOYSA-N 1 0 294.402 3.354 20 10 CGCDRO Cn1ccc2c1cccc2-c1ccccc1N1CC[NH2+]CC1 ZINC001241822837 822163818 /nfs/dbraw/zinc/16/38/18/822163818.db2.gz PLCOWABSHIAIQP-UHFFFAOYSA-N 1 0 291.398 3.255 20 10 CGCDRO Cc1cc(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)cc(C)c1N(C)C ZINC001242023924 822287224 /nfs/dbraw/zinc/28/72/24/822287224.db2.gz LGHBQZDUAYSXFK-CVEARBPZSA-N 1 0 256.393 3.277 20 10 CGCDRO CN(C)c1ccc(CN(c2cc[nH+]cc2)C2CC2)cc1 ZINC001339451695 936373220 /nfs/dbraw/zinc/37/32/20/936373220.db2.gz YSQVVUDBLAMCGI-UHFFFAOYSA-N 1 0 267.376 3.317 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@H]1CC[C@H](CO)CC1 ZINC001342406466 936466161 /nfs/dbraw/zinc/46/61/61/936466161.db2.gz LMQIAKPZHJPHBA-KBUPBQIOSA-N 1 0 289.419 3.390 20 10 CGCDRO Cc1cccc(C[NH2+][C@H]2CCS[C@H](C)C2)c1O ZINC001343287462 936494106 /nfs/dbraw/zinc/49/41/06/936494106.db2.gz RQACKQMHWQEQRO-YPMHNXCESA-N 1 0 251.395 3.074 20 10 CGCDRO CC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(N)cc1 ZINC001345159774 936804582 /nfs/dbraw/zinc/80/45/82/936804582.db2.gz LDBGUTZVILXSJB-GOSISDBHSA-N 1 0 284.403 3.042 20 10 CGCDRO CCC[N@H+](Cc1ccc(N)cc1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC001352786754 937049343 /nfs/dbraw/zinc/04/93/43/937049343.db2.gz AAOLZWDJENXEQD-BRWVUGGUSA-N 1 0 288.435 3.294 20 10 CGCDRO Cc1ccc(C)c(C[N@H+](C)Cc2cccc(O)c2)c1O ZINC001140178771 926715838 /nfs/dbraw/zinc/71/58/38/926715838.db2.gz XGBJMKWVKOBOJG-UHFFFAOYSA-N 1 0 271.360 3.347 20 10 CGCDRO Cc1ccc2c(c1)C[C@H]([NH2+]Cc1cccc(O)c1O)CC2 ZINC001172829844 928225210 /nfs/dbraw/zinc/22/52/10/928225210.db2.gz GFEXVRWMAYYNBE-MRXNPFEDSA-N 1 0 283.371 3.053 20 10 CGCDRO CCC(CC)[C@H](O)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000225816438 931951223 /nfs/dbraw/zinc/95/12/23/931951223.db2.gz DNRRIHJVEQCGBB-GOSISDBHSA-N 1 0 290.451 3.174 20 10 CGCDRO Cc1ccc(C)c(C[N@H+](C)CCc2ccncc2)c1O ZINC001140178884 931957015 /nfs/dbraw/zinc/95/70/15/931957015.db2.gz BJHQIPNFAOMKMP-UHFFFAOYSA-N 1 0 270.376 3.079 20 10 CGCDRO COc1ccc(C[NH2+]C[C@@H](C)N2CCC[C@H](C)C2)cc1C ZINC001461045060 937561740 /nfs/dbraw/zinc/56/17/40/937561740.db2.gz NIZVCUCOSNUTEK-GOEBONIOSA-N 1 0 290.451 3.214 20 10 CGCDRO CC1(C)CCC[C@@](CO)([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC001461643605 937590070 /nfs/dbraw/zinc/59/00/70/937590070.db2.gz ZRQZPKCOESZNJM-GOSISDBHSA-N 1 0 289.419 3.042 20 10 CGCDRO CCn1ccc(CN(Cc2ccc(N(C)C)cc2)C2CC2)n1 ZINC001462046246 937614771 /nfs/dbraw/zinc/61/47/71/937614771.db2.gz UVUMZYIDYHREEO-UHFFFAOYSA-N 1 0 298.434 3.134 20 10 CGCDRO CCCN(Cc1ccc2nonc2c1)c1ccc(C[NH3+])cc1 ZINC001462187279 937623906 /nfs/dbraw/zinc/62/39/06/937623906.db2.gz GVPYJLAMHRRTQW-UHFFFAOYSA-N 1 0 296.374 3.098 20 10 CGCDRO CCOC1CC([N@H+](C)Cc2c(O)cc(C)cc2Cl)C1 ZINC001462292268 937630537 /nfs/dbraw/zinc/63/05/37/937630537.db2.gz HLLRZOCZQYGAJF-UHFFFAOYSA-N 1 0 283.799 3.353 20 10 CGCDRO COc1cc(C)c(C[NH2+]C[C@@H]2CCC[C@@H]3C[C@@H]32)c(O)c1 ZINC001462437215 937641446 /nfs/dbraw/zinc/64/14/46/937641446.db2.gz FHFUWASPSFFFPU-IPYPFGDCSA-N 1 0 275.392 3.235 20 10 CGCDRO COc1cc[nH+]c(NC/C=C\c2ccc(N(C)C)cc2)c1 ZINC001308355518 933100485 /nfs/dbraw/zinc/10/04/85/933100485.db2.gz JXGRLXZKQIGXDV-PLNGDYQASA-N 1 0 283.375 3.282 20 10 CGCDRO c1cc(C[NH2+]CCC[C@@H]2CCCCO2)cc2c1OCC2 ZINC001308365149 933101583 /nfs/dbraw/zinc/10/15/83/933101583.db2.gz BAYVDBZKOBUMMD-INIZCTEOSA-N 1 0 275.392 3.060 20 10 CGCDRO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(N(C)C)cc1C ZINC001308660499 933152270 /nfs/dbraw/zinc/15/22/70/933152270.db2.gz QBBZMVPCRJPOGP-HOCLYGCPSA-N 1 0 276.424 3.060 20 10 CGCDRO CCO[C@H]1C[C@@H]([NH2+]Cc2cc(C(C)C)ccc2O)C1 ZINC001308812393 933181489 /nfs/dbraw/zinc/18/14/89/933181489.db2.gz VPSHOTRINYIQIN-GASCZTMLSA-N 1 0 263.381 3.173 20 10 CGCDRO CC[C@](C)(C[NH2+][C@@H](C)Cc1ccc(N(C)C)cc1C)OC ZINC001308824531 933183936 /nfs/dbraw/zinc/18/39/36/933183936.db2.gz GYZBEJIIIAPPBA-MAUKXSAKSA-N 1 0 292.467 3.397 20 10 CGCDRO CC1([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC001318635400 933756773 /nfs/dbraw/zinc/75/67/73/933756773.db2.gz XUMWCUJXWIHWOG-UHFFFAOYSA-N 1 0 289.379 3.227 20 10 CGCDRO Fc1ccc(C[NH2+]Cc2ccc(N3CCCC3)cc2)nc1 ZINC001319165638 933835191 /nfs/dbraw/zinc/83/51/91/933835191.db2.gz ITKGVTXZPYWBJS-UHFFFAOYSA-N 1 0 285.366 3.111 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C2(C)CC2)cc1F ZINC001319837336 933943007 /nfs/dbraw/zinc/94/30/07/933943007.db2.gz SXZAPXTZKGJNEQ-UHFFFAOYSA-N 1 0 250.361 3.314 20 10 CGCDRO CC[C@@H](C[C@H](C)CO)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001322145111 934251192 /nfs/dbraw/zinc/25/11/92/934251192.db2.gz RGTILYHWMROQET-RDJZCZTQSA-N 1 0 290.451 3.174 20 10 CGCDRO CN(C)c1ccc(C[NH+]2CC(c3ccc(F)cc3)C2)cc1 ZINC001324747566 934562351 /nfs/dbraw/zinc/56/23/51/934562351.db2.gz ROZARDRXYILUOB-UHFFFAOYSA-N 1 0 284.378 3.491 20 10 CGCDRO CO[C@@H]1CCC[C@H]1[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2C ZINC001325313206 934903421 /nfs/dbraw/zinc/90/34/21/934903421.db2.gz AQRIGUXQLCTADE-SFDCQRBFSA-N 1 0 275.392 3.406 20 10 CGCDRO CCN(CC)[C@H](C)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001326833101 935011029 /nfs/dbraw/zinc/01/10/29/935011029.db2.gz YUGDXMBCDLJCQO-MRXNPFEDSA-N 1 0 289.467 3.107 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H]2CCC[C@@H](F)C2)c1O ZINC001327196279 935043511 /nfs/dbraw/zinc/04/35/11/935043511.db2.gz ZKKWXCIEZJEGSV-ZIAGYGMSSA-N 1 0 251.345 3.325 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+][C@H]2C[C@@H]3[C@H](C2)C3(F)F)c1O ZINC001327228945 935046769 /nfs/dbraw/zinc/04/67/69/935046769.db2.gz YZROSXASGPFZSE-PKZYVASSSA-N 1 0 283.318 3.095 20 10 CGCDRO C[C@H]([NH2+]CCCC[NH3+])c1cc(Cl)c(Cl)cc1[O-] ZINC001329022034 935177479 /nfs/dbraw/zinc/17/74/79/935177479.db2.gz CGACXFVQPYWGHN-QMMMGPOBSA-N 1 0 277.195 3.089 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCC[C@H](F)C2)c1 ZINC001332436682 935469403 /nfs/dbraw/zinc/46/94/03/935469403.db2.gz RYKZLVOUFLWCAH-STQMWFEESA-N 1 0 267.344 3.161 20 10 CGCDRO CCn1ccnc1[C@H]1CCCCN1Cc1ccc(N)cc1 ZINC001335288193 936137345 /nfs/dbraw/zinc/13/73/45/936137345.db2.gz FPAIQFZIXSMGNX-MRXNPFEDSA-N 1 0 284.407 3.212 20 10 CGCDRO COCC[N@H+](CCCc1ccccc1)Cc1ccc(N)cc1 ZINC001336118253 936176843 /nfs/dbraw/zinc/17/68/43/936176843.db2.gz VDQIHGVIKDYBLY-UHFFFAOYSA-N 1 0 298.430 3.350 20 10 CGCDRO COc1cccc2c1CC[C@@H]2[NH2+]Cc1ccc(N)cc1 ZINC001337837799 936293404 /nfs/dbraw/zinc/29/34/04/936293404.db2.gz FZEAOPOIOAFTPG-INIZCTEOSA-N 1 0 268.360 3.055 20 10 CGCDRO CC(C)(CO)[C@H]([NH2+]Cc1ccc(N)cc1)c1ccccc1 ZINC001337838533 936293473 /nfs/dbraw/zinc/29/34/73/936293473.db2.gz ORAGOJKSXZMFGL-QGZVFWFLSA-N 1 0 284.403 3.118 20 10 CGCDRO CC[C@H](C[NH2+]Cc1c(C)c2ccccc2n1C)N1CCCC1 ZINC001473926708 937830214 /nfs/dbraw/zinc/83/02/14/937830214.db2.gz FAEFHWBUPNTNGV-MRXNPFEDSA-N 1 0 299.462 3.451 20 10 CGCDRO CC(C)CCOCC[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC001473964182 937832839 /nfs/dbraw/zinc/83/28/39/937832839.db2.gz LTONSJYFMYCJOY-WAYWQWQTSA-N 1 0 290.451 3.418 20 10 CGCDRO F[C@@]1(c2ccccc2)C[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC001474186529 937843308 /nfs/dbraw/zinc/84/33/08/937843308.db2.gz IEZJUEQTBMHJGV-ZWKOTPCHSA-N 1 0 283.346 3.348 20 10 CGCDRO COc1ccc(C[N@@H+]2C[C@@H](C)CCC[C@H]2C)c(O)c1OC ZINC001474371036 937855439 /nfs/dbraw/zinc/85/54/39/937855439.db2.gz LGQNEANFCHXZBB-QWHCGFSZSA-N 1 0 293.407 3.420 20 10 CGCDRO COc1ccc(C[NH2+]C2CCCCC2)cc1Cn1cccn1 ZINC001560247951 938248990 /nfs/dbraw/zinc/24/89/90/938248990.db2.gz NLZPLYSHHLXJPJ-UHFFFAOYSA-N 1 0 299.418 3.362 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CC2CCCC2)cc1F ZINC001560264148 938250336 /nfs/dbraw/zinc/25/03/36/938250336.db2.gz RKSMPPZISZHHQP-UHFFFAOYSA-N 1 0 250.361 3.172 20 10 CGCDRO c1ccc(NCC[NH2+]Cc2ccc(N3CCCC3)cc2)cc1 ZINC001560365271 938255664 /nfs/dbraw/zinc/25/56/64/938255664.db2.gz RXKIAXTZOKUYIO-UHFFFAOYSA-N 1 0 295.430 3.489 20 10 CGCDRO c1cc2c(cc1C[NH2+][C@H]1CCC[C@@H]3C[C@@H]31)CCCO2 ZINC001560500779 938260546 /nfs/dbraw/zinc/26/05/46/938260546.db2.gz BQDLLQLRAOKUAX-KBMXLJTQSA-N 1 0 257.377 3.290 20 10 CGCDRO Cc1ccoc1C[NH2+]Cc1ccc(Cl)cc1O ZINC001560865228 938280839 /nfs/dbraw/zinc/28/08/39/938280839.db2.gz TYWQYXNMUYFRJK-UHFFFAOYSA-N 1 0 251.713 3.237 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+][C@H](C)COCC2CC2)c1 ZINC001560918840 938284049 /nfs/dbraw/zinc/28/40/49/938284049.db2.gz JTKHZRYLXKIIPO-CYBMUJFWSA-N 1 0 277.408 3.420 20 10 CGCDRO Cc1cc(C)c(CN2CCCc3cc(C[NH3+])ccc32)c(C)n1 ZINC001579576388 962641416 /nfs/dbraw/zinc/64/14/16/962641416.db2.gz NEWVPYHOOBHSOA-UHFFFAOYSA-N 1 0 295.430 3.418 20 10 CGCDRO Cc1cc(O)c(C[NH2+]Cc2ccc(C[NH3+])cc2)cc1Cl ZINC001579637874 962648039 /nfs/dbraw/zinc/64/80/39/962648039.db2.gz GEGCHERUTWXXIW-UHFFFAOYSA-N 1 0 290.794 3.103 20 10 CGCDRO Cc1ccc(C[NH2+]CC[C@@H]2CNc3ccccc32)c(O)c1 ZINC001579696800 962657449 /nfs/dbraw/zinc/65/74/49/962657449.db2.gz GBYBXBFFQRURLO-CQSZACIVSA-N 1 0 282.387 3.390 20 10 CGCDRO C[C@@H]([NH2+]Cc1cc(-c2ccccc2)ccc1O)[C@H](C)CO ZINC000077422472 345573408 /nfs/dbraw/zinc/57/34/08/345573408.db2.gz QKDRFDZHVGZFOB-ZIAGYGMSSA-N 1 0 285.387 3.166 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1C ZINC000092072197 345830522 /nfs/dbraw/zinc/83/05/22/345830522.db2.gz FVRFEIYKSVTMED-CQSZACIVSA-N 1 0 285.391 3.112 20 10 CGCDRO OC[C@H]1CCC[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000092470823 345841022 /nfs/dbraw/zinc/84/10/22/345841022.db2.gz JJWJCZXMAAYZLU-QGZVFWFLSA-N 1 0 283.371 3.016 20 10 CGCDRO CCOCC[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000161951291 346177570 /nfs/dbraw/zinc/17/75/70/346177570.db2.gz JVXTYWBRTJPMJA-OAHLLOKOSA-N 1 0 276.424 3.364 20 10 CGCDRO C[C@@](O)(C[NH2+]Cc1c(O)cccc1Cl)c1ccsc1 ZINC000124107137 370919252 /nfs/dbraw/zinc/91/92/52/370919252.db2.gz RWNOBEACEFZIFF-CQSZACIVSA-N 1 0 297.807 3.104 20 10 CGCDRO CC1(C)CCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000094266039 370166943 /nfs/dbraw/zinc/16/69/43/370166943.db2.gz IKVXROGBYWLFIT-QGZVFWFLSA-N 1 0 288.435 3.192 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCO[C@@H](c3ccco3)C2)cc1C ZINC000093841412 370165546 /nfs/dbraw/zinc/16/55/46/370165546.db2.gz WCPSXBQFDAFUCG-QGZVFWFLSA-N 1 0 287.359 3.176 20 10 CGCDRO CN(C)c1cccc(C[NH2+]Cc2c(O)cccc2Cl)c1 ZINC000113335456 370471474 /nfs/dbraw/zinc/47/14/74/370471474.db2.gz CFFKPOBCKFMGNF-UHFFFAOYSA-N 1 0 290.794 3.401 20 10 CGCDRO C[C@H]([NH2+]C[C@]1(C)CCCS1)c1ccccc1O ZINC000133895751 371287205 /nfs/dbraw/zinc/28/72/05/371287205.db2.gz LPYJXEDURHZNBD-FZMZJTMJSA-N 1 0 251.395 3.329 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCC(F)(F)F)c1 ZINC000148652930 371522611 /nfs/dbraw/zinc/52/26/11/371522611.db2.gz DCAYKSFMTIOQGI-VIFPVBQESA-N 1 0 277.286 3.394 20 10 CGCDRO COc1cccc(C[NH2+][C@H]2CS[C@@H](C(C)(C)C)C2)c1O ZINC000289176454 371752239 /nfs/dbraw/zinc/75/22/39/371752239.db2.gz ABTXBLSIJCEYRE-TZMCWYRMSA-N 1 0 295.448 3.411 20 10 CGCDRO CCOc1cccc(C[NH2+]CC(CC)(CC)OC)c1O ZINC000291787245 372174228 /nfs/dbraw/zinc/17/42/28/372174228.db2.gz VNYZWZQAASJWBX-UHFFFAOYSA-N 1 0 281.396 3.086 20 10 CGCDRO C[C@H]([NH2+]C[C@@H](CO)C1CCCCC1)c1ccccc1O ZINC000293777129 372478961 /nfs/dbraw/zinc/47/89/61/372478961.db2.gz SPPNPWLUWMJVSY-ZFWWWQNUSA-N 1 0 277.408 3.232 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)c1 ZINC000293619783 372427237 /nfs/dbraw/zinc/42/72/37/372427237.db2.gz KQPLAPWKBPDYSE-YOEHRIQHSA-N 1 0 283.371 3.294 20 10 CGCDRO C[C@H]1C[C@H](C[NH2+]Cc2cc(Cl)c(F)cc2[O-])CCO1 ZINC000293660816 372440783 /nfs/dbraw/zinc/44/07/83/372440783.db2.gz PPJJWUGDMAGTIV-VHSXEESVSA-N 1 0 287.762 3.089 20 10 CGCDRO CSCc1cnc(C[NH2+]Cc2ccccc2O)s1 ZINC000293681718 372447713 /nfs/dbraw/zinc/44/77/13/372447713.db2.gz VQLOIYDXNFSCDI-UHFFFAOYSA-N 1 0 280.418 3.002 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CC(C)(C)[C@@H]2c2ccncc2)c1 ZINC000293968539 372540093 /nfs/dbraw/zinc/54/00/93/372540093.db2.gz QKJZEKNRDSKNDY-KRWDZBQOSA-N 1 0 298.386 3.379 20 10 CGCDRO Cc1cc(C)n(CCC[NH2+][C@@H](C)c2cc(F)ccc2O)n1 ZINC000168736216 372616707 /nfs/dbraw/zinc/61/67/07/372616707.db2.gz CMLSLDAAPHTMAL-ZDUSSCGKSA-N 1 0 291.370 3.086 20 10 CGCDRO CC(C)OCC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000168959167 372623356 /nfs/dbraw/zinc/62/33/56/372623356.db2.gz RSVHKHCKBLOUTQ-UHFFFAOYSA-N 1 0 276.424 3.192 20 10 CGCDRO CCC[N@H+](Cc1c(C)nn(C)c1C)Cc1ccccc1O ZINC000170779095 372662044 /nfs/dbraw/zinc/66/20/44/372662044.db2.gz ORPKJUPVPBPXFV-UHFFFAOYSA-N 1 0 287.407 3.155 20 10 CGCDRO CC[C@]1(CO)CCC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000294719212 372668116 /nfs/dbraw/zinc/66/81/16/372668116.db2.gz VNFWZUPEJBSGDT-SFHVURJKSA-N 1 0 290.451 3.046 20 10 CGCDRO C[C@H](CC(C)(C)O)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000295018262 372685705 /nfs/dbraw/zinc/68/57/05/372685705.db2.gz KHCAOXWFUOFHNQ-OAHLLOKOSA-N 1 0 290.451 3.316 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](O)CC(C)(C)C2)c1O ZINC000295167888 372696385 /nfs/dbraw/zinc/69/63/85/372696385.db2.gz FQSPUNTXVHLDCA-CQSZACIVSA-N 1 0 297.826 3.337 20 10 CGCDRO Cc1nocc1C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000295243650 372715500 /nfs/dbraw/zinc/71/55/00/372715500.db2.gz FDMUOXAIDDYGFT-UHFFFAOYSA-N 1 0 287.407 3.460 20 10 CGCDRO CCn1cc([C@@H](C)[NH2+][C@@H](C)c2ccccc2O)cn1 ZINC000295979185 372981386 /nfs/dbraw/zinc/98/13/86/372981386.db2.gz OQDCOHLSLLMLJF-NEPJUHHUSA-N 1 0 259.353 3.020 20 10 CGCDRO CCn1cc([C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2O)cn1 ZINC000296009932 372992373 /nfs/dbraw/zinc/99/23/73/372992373.db2.gz RBKJVFBSEPYXAD-QWRGUYRKSA-N 1 0 277.343 3.160 20 10 CGCDRO CC(C)N(CC[NH2+][C@H]1CCc2cccc(O)c21)C(C)C ZINC000296012349 372992536 /nfs/dbraw/zinc/99/25/36/372992536.db2.gz OXJFISJFHRUDCD-HNNXBMFYSA-N 1 0 276.424 3.088 20 10 CGCDRO COC1(C[NH2+][C@H]2CCc3cccc(O)c32)CCCCC1 ZINC000296320905 373088650 /nfs/dbraw/zinc/08/86/50/373088650.db2.gz FVGPSGBZTRRUTB-AWEZNQCLSA-N 1 0 275.392 3.318 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H](C)CCCCO)c(O)c1 ZINC000296579536 373184105 /nfs/dbraw/zinc/18/41/05/373184105.db2.gz UGHWGKXZTIZOTD-KBPBESRZSA-N 1 0 265.397 3.211 20 10 CGCDRO C[C@@H](CCCCO)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000296579489 373185144 /nfs/dbraw/zinc/18/51/44/373185144.db2.gz UFNMZMPMPQWABI-QWRGUYRKSA-N 1 0 271.788 3.247 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]Cc1ccc(Cl)cn1)CC2 ZINC000296648451 373207392 /nfs/dbraw/zinc/20/73/92/373207392.db2.gz DHZMHEDMGIAARB-ZDUSSCGKSA-N 1 0 274.751 3.218 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]CCOCc1ccccc1)CC2 ZINC000297651734 373277520 /nfs/dbraw/zinc/27/75/20/373277520.db2.gz KEWKKGDUNXJNKK-MRXNPFEDSA-N 1 0 283.371 3.186 20 10 CGCDRO CN(C)c1ccc(C[N@H+](CCc2ccncc2)C2CC2)cc1 ZINC000298708164 373388023 /nfs/dbraw/zinc/38/80/23/373388023.db2.gz JXJZJHUKAOHCHO-UHFFFAOYSA-N 1 0 295.430 3.355 20 10 CGCDRO COc1ccc(O)c(C[N@H+](C)Cc2ccc(F)c(F)c2)c1 ZINC000179680813 373902993 /nfs/dbraw/zinc/90/29/93/373902993.db2.gz WYKVWOAUWQRJFV-UHFFFAOYSA-N 1 0 293.313 3.311 20 10 CGCDRO CC[N@H+](Cc1cccs1)Cc1cc(OC)ccc1O ZINC000179604201 373893252 /nfs/dbraw/zinc/89/32/52/373893252.db2.gz XPMWBRBGGVYGRM-UHFFFAOYSA-N 1 0 277.389 3.484 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H]2C2CCC2)c1 ZINC000179954524 373946782 /nfs/dbraw/zinc/94/67/82/373946782.db2.gz KIPXGHWYXXFGMT-HNNXBMFYSA-N 1 0 261.365 3.165 20 10 CGCDRO Cc1ccc([C@H](O)C[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC000179875795 373932123 /nfs/dbraw/zinc/93/21/23/373932123.db2.gz RIPZUEAFWKANFQ-SUMWQHHRSA-N 1 0 271.360 3.085 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccccc1O ZINC000183470983 374418224 /nfs/dbraw/zinc/41/82/24/374418224.db2.gz MOOXQIVAAHPWMC-LBPRGKRZSA-N 1 0 288.366 3.448 20 10 CGCDRO C[C@H]([NH2+]C[C@@H](CCO)c1ccccc1)c1ccccc1O ZINC000183525460 374424621 /nfs/dbraw/zinc/42/46/21/374424621.db2.gz UUUNCKBOHOFDPQ-GOEBONIOSA-N 1 0 285.387 3.209 20 10 CGCDRO CCC(C)(C)[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000184706765 374551788 /nfs/dbraw/zinc/55/17/88/374551788.db2.gz KOWPNWYKQPTRHA-UHFFFAOYSA-N 1 0 257.761 3.332 20 10 CGCDRO C[C@@H]([NH2+]C[C@H](C)c1nccs1)c1cc(F)ccc1O ZINC000186751872 374911648 /nfs/dbraw/zinc/91/16/48/374911648.db2.gz ZFYMMSSHOAZBQU-VHSXEESVSA-N 1 0 280.368 3.442 20 10 CGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000475195108 375132073 /nfs/dbraw/zinc/13/20/73/375132073.db2.gz HEYUBPRYOLQLPL-BMGDILEWSA-N 1 0 298.430 3.390 20 10 CGCDRO CC[C@@H](O)CC[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000268690255 378091109 /nfs/dbraw/zinc/09/11/09/378091109.db2.gz REQKKKOQGMHMJV-QGZVFWFLSA-N 1 0 285.387 3.310 20 10 CGCDRO CCC[N@H+](C)C[C@@H]1CCN(Cc2c(O)cccc2Cl)C1 ZINC000271198924 378479372 /nfs/dbraw/zinc/47/93/72/378479372.db2.gz VSRKLKJGKAUEGB-ZDUSSCGKSA-N 1 0 296.842 3.209 20 10 CGCDRO CC(C)[C@H]1C[C@@H]([NH2+]Cc2c(O)cccc2Cl)CCO1 ZINC000271492098 378495204 /nfs/dbraw/zinc/49/52/04/378495204.db2.gz JMOOGMPQYITYCX-XHDPSFHLSA-N 1 0 283.799 3.339 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCSC2)cc1 ZINC000271542954 378497841 /nfs/dbraw/zinc/49/78/41/378497841.db2.gz UPMKDEXZRKOXCX-TZMCWYRMSA-N 1 0 264.438 3.299 20 10 CGCDRO COC1CCC([N@H+](C)Cc2cccc(C)c2O)CC1 ZINC000271780087 378505056 /nfs/dbraw/zinc/50/50/56/378505056.db2.gz HLFNNBIUICAIMW-UHFFFAOYSA-N 1 0 263.381 3.090 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H](C)[C@@H](O)c2cccc(F)c2)c1O ZINC000271798538 378505078 /nfs/dbraw/zinc/50/50/78/378505078.db2.gz INFYZSFCMXZOFD-YVEFUNNKSA-N 1 0 289.350 3.051 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+][C@H]2CCO[C@@H](C)C2)c1O ZINC000271828037 378509441 /nfs/dbraw/zinc/50/94/41/378509441.db2.gz OIHULQMHYOWYAI-GWCFXTLKSA-N 1 0 269.772 3.011 20 10 CGCDRO CCC[N@H+](Cc1ccc(OC)cn1)Cc1ccccc1O ZINC000271897383 378511447 /nfs/dbraw/zinc/51/14/47/378511447.db2.gz GCVBCBMXUKXXOZ-UHFFFAOYSA-N 1 0 286.375 3.208 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCO[C@H](CC(C)C)C2)c1 ZINC000272019985 378547750 /nfs/dbraw/zinc/54/77/50/378547750.db2.gz RQESKDCSKUTRMF-HZPDHXFCSA-N 1 0 277.408 3.384 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCOC2)c(O)c1C ZINC000273296479 378740128 /nfs/dbraw/zinc/74/01/28/378740128.db2.gz AEABONPYAUECNZ-ZIAGYGMSSA-N 1 0 263.381 3.086 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCOC(C)C)c(O)c1C ZINC000273435961 378745697 /nfs/dbraw/zinc/74/56/97/378745697.db2.gz MDHIJBNDOBEYAU-CYBMUJFWSA-N 1 0 251.370 3.085 20 10 CGCDRO Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000273466061 378747947 /nfs/dbraw/zinc/74/79/47/378747947.db2.gz DSSQCUGBZWVIRI-QWHCGFSZSA-N 1 0 287.407 3.463 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCO[C@@H](C)C2)c(O)c1 ZINC000273472177 378748655 /nfs/dbraw/zinc/74/86/55/378748655.db2.gz JWKOVUZHGRQYRB-IHRRRGAJSA-N 1 0 263.381 3.166 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1cc(F)ccc1O ZINC000273519123 378750769 /nfs/dbraw/zinc/75/07/69/378750769.db2.gz TUBLVGJJNRTQAT-DGCLKSJQSA-N 1 0 279.355 3.284 20 10 CGCDRO CCC[C@@](C)(O)C[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000273561320 378752894 /nfs/dbraw/zinc/75/28/94/378752894.db2.gz IDCQNGXMTDBBEV-IINYFYTJSA-N 1 0 271.788 3.247 20 10 CGCDRO Cc1nc(C)c(C[NH2+][C@@H](C)c2cc(F)ccc2O)s1 ZINC000273585109 378754866 /nfs/dbraw/zinc/75/48/66/378754866.db2.gz NNEVIWYKQRJMCV-QMMMGPOBSA-N 1 0 280.368 3.455 20 10 CGCDRO C[C@@]1([NH2+]Cc2cc(Cl)ccc2O)CCO[C@H]1C1CC1 ZINC000371746907 379174735 /nfs/dbraw/zinc/17/47/35/379174735.db2.gz MXWVQHCCBRTHGU-LSDHHAIUSA-N 1 0 281.783 3.093 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1ccc(C)cc1O ZINC000373564129 379300178 /nfs/dbraw/zinc/30/01/78/379300178.db2.gz RKDMNKHGUSECOH-ZFWWWQNUSA-N 1 0 285.391 3.022 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000375320200 379490835 /nfs/dbraw/zinc/49/08/35/379490835.db2.gz MUHUCIPWNLEIET-HIFRSBDPSA-N 1 0 281.783 3.189 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCc3nn(C)cc32)c(O)c1C ZINC000282489785 379930153 /nfs/dbraw/zinc/93/01/53/379930153.db2.gz QXVPWLXTGJFNQO-CZUORRHYSA-N 1 0 299.418 3.471 20 10 CGCDRO COCC[C@H]1CCCC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000364253220 382267510 /nfs/dbraw/zinc/26/75/10/382267510.db2.gz LGBDQGRWJHLBGR-OAHLLOKOSA-N 1 0 277.408 3.339 20 10 CGCDRO CCSCC[C@@H](C)[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000093871054 392241073 /nfs/dbraw/zinc/24/10/73/392241073.db2.gz NQIUSTUKTTYKAO-LLVKDONJSA-N 1 0 297.420 3.084 20 10 CGCDRO CSC[C@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000131542337 392457238 /nfs/dbraw/zinc/45/72/38/392457238.db2.gz WGFNNHPQOHNNCL-RYUDHWBXSA-N 1 0 252.427 3.155 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccnc(OC)c2)cc1 ZINC000131690254 392458458 /nfs/dbraw/zinc/45/84/58/392458458.db2.gz VSSXTEOCLSXOIW-CQSZACIVSA-N 1 0 299.418 3.397 20 10 CGCDRO C[C@H]([NH2+]C[C@H](O)Cc1ccccc1)c1ccc(N(C)C)cc1 ZINC000132035465 392459016 /nfs/dbraw/zinc/45/90/16/392459016.db2.gz SPNRURREEJPFEX-HNAYVOBHSA-N 1 0 298.430 3.007 20 10 CGCDRO Cc1cccc(C[NH2+]Cc2ccc(N(C)C)cc2)c1O ZINC000158087168 392555031 /nfs/dbraw/zinc/55/50/31/392555031.db2.gz SGLRBOOYJMONQD-UHFFFAOYSA-N 1 0 270.376 3.056 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@]2(C)CCO[C@@H]2C2CC2)cc1C ZINC000372069022 392580151 /nfs/dbraw/zinc/58/01/51/392580151.db2.gz VHLVKPBGEXQYEF-QZTJIDSGSA-N 1 0 289.419 3.304 20 10 CGCDRO CCOc1cccc(C[N@H+](C)Cc2cnc(C)s2)c1O ZINC000179382089 392699502 /nfs/dbraw/zinc/69/95/02/392699502.db2.gz WSMOMZKYRLGPQF-UHFFFAOYSA-N 1 0 292.404 3.188 20 10 CGCDRO O=[N+]([O-])c1cccc(C[N@@H+](Cc2ccccc2O)C2CC2)c1 ZINC000179557507 392702454 /nfs/dbraw/zinc/70/24/54/392702454.db2.gz QBIYNEQDUVTOIF-UHFFFAOYSA-N 1 0 298.342 3.465 20 10 CGCDRO COc1cc(O)c(C[N@H+](CC2CCC2)C(C)C)cc1OC ZINC000195077522 392955971 /nfs/dbraw/zinc/95/59/71/392955971.db2.gz PJXFBRJBMCRZPO-UHFFFAOYSA-N 1 0 293.407 3.420 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCCc2c1cnn2C)c1ccc(N(C)C)cc1 ZINC000268851938 393206903 /nfs/dbraw/zinc/20/69/03/393206903.db2.gz WPYLIQNQANLMAY-GUYCJALGSA-N 1 0 298.434 3.214 20 10 CGCDRO CC[C@@H]([NH2+]CCCOCC(C)C)c1ccccc1O ZINC000020147292 171033697 /nfs/dbraw/zinc/03/36/97/171033697.db2.gz PBFBNGDPNZYXSA-OAHLLOKOSA-N 1 0 265.397 3.496 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](CC(C)C)N(C)C)c1 ZINC000035628954 172307970 /nfs/dbraw/zinc/30/79/70/172307970.db2.gz XSDLGLHHZRZPBL-GJZGRUSLSA-N 1 0 278.440 3.328 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](C)N2CCCCC2)c1 ZINC000038028878 174018834 /nfs/dbraw/zinc/01/88/34/174018834.db2.gz NQFSYHYIZSSUHH-HUUCEWRRSA-N 1 0 276.424 3.226 20 10 CGCDRO Cc1c([C@@H](C)[NH2+][C@H](C)c2cc(C)ccc2O)cnn1C ZINC000037167915 260072605 /nfs/dbraw/zinc/07/26/05/260072605.db2.gz IREGAHXGUKRDMV-VXGBXAGGSA-N 1 0 273.380 3.154 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCO[C@@H](C)C2)cc1 ZINC000219924437 260073409 /nfs/dbraw/zinc/07/34/09/260073409.db2.gz SHFAODSSABOZOD-HOCLYGCPSA-N 1 0 276.424 3.190 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CC(C)(C)CCO)cc1 ZINC000080535649 260181151 /nfs/dbraw/zinc/18/11/51/260181151.db2.gz YXTRTPXJAFQFLA-UHFFFAOYSA-N 1 0 278.440 3.031 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cccc2c1OCO2)c1ccccc1O ZINC000040667016 260341239 /nfs/dbraw/zinc/34/12/39/260341239.db2.gz SJCPMKVOORSYBS-CQSZACIVSA-N 1 0 285.343 3.362 20 10 CGCDRO CC[C@@H](CO)[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000151805856 261055267 /nfs/dbraw/zinc/05/52/67/261055267.db2.gz DPCFIGJYOIWIOG-ZFWWWQNUSA-N 1 0 294.414 3.238 20 10 CGCDRO C[C@H]([NH2+]CCCNc1ccccn1)c1ccc(N(C)C)cc1 ZINC000163803694 261329822 /nfs/dbraw/zinc/32/98/22/261329822.db2.gz KZSFVWMIRAMFNR-HNNXBMFYSA-N 1 0 298.434 3.300 20 10 CGCDRO C[C@@H]([NH2+]CC[C@H]1CCCCO1)c1ccc(N(C)C)cc1 ZINC000180257061 261421914 /nfs/dbraw/zinc/42/19/14/261421914.db2.gz TWOGJEFUIGOKLM-RHSMWYFYSA-N 1 0 276.424 3.362 20 10 CGCDRO C[C@H](C[N@H+](C)Cc1ccc(N(C)C)cc1)c1nccs1 ZINC000183255181 261968560 /nfs/dbraw/zinc/96/85/60/261968560.db2.gz RXPIEZWTZSHMEO-CYBMUJFWSA-N 1 0 289.448 3.445 20 10 CGCDRO COc1cc(Cl)cc(C[N@H+](C)C2CCC2)c1O ZINC000184695212 262025556 /nfs/dbraw/zinc/02/55/56/262025556.db2.gz OIUZOXRCMXAGSS-UHFFFAOYSA-N 1 0 255.745 3.039 20 10 CGCDRO CC(C)C[C@H]1OCCC[C@@H]1[NH2+]Cc1ccccc1O ZINC000185195185 262045312 /nfs/dbraw/zinc/04/53/12/262045312.db2.gz RMIUMNFMYQVDRP-GOEBONIOSA-N 1 0 263.381 3.076 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2O)cc1O ZINC000185301118 262049142 /nfs/dbraw/zinc/04/91/42/262049142.db2.gz VZPASBGWAGLRQX-JTQLQIEISA-N 1 0 291.322 3.096 20 10 CGCDRO C[C@H](O)C[C@H](C)C[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000185520964 262058480 /nfs/dbraw/zinc/05/84/80/262058480.db2.gz FRQQFKSRFPOQJT-DCAQKATOSA-N 1 0 271.788 3.103 20 10 CGCDRO CC[C@H](CCO)C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000185677253 262065968 /nfs/dbraw/zinc/06/59/68/262065968.db2.gz TXTMDNOVTNWOMQ-UONOGXRCSA-N 1 0 291.435 3.330 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCC[C@H]3OCC[C@@H]32)c1 ZINC000185772387 262069518 /nfs/dbraw/zinc/06/95/18/262069518.db2.gz CXGHDKAFHVDVLV-JSHWQEIDSA-N 1 0 291.391 3.009 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCC[C@H]3OCC[C@@H]32)c(O)c1 ZINC000185773371 262069691 /nfs/dbraw/zinc/06/96/91/262069691.db2.gz MCIFFHNQRQJBDW-JJAZEVLHSA-N 1 0 275.392 3.309 20 10 CGCDRO CSC1(C[NH2+][C@H](C)c2cc(F)ccc2O)CCOCC1 ZINC000186081407 262078092 /nfs/dbraw/zinc/07/80/92/262078092.db2.gz DLHZKLIBAUCIMM-LLVKDONJSA-N 1 0 299.411 3.094 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCN(c3ccccn3)C2)c1 ZINC000186171207 262082830 /nfs/dbraw/zinc/08/28/30/262082830.db2.gz LFPOQBHVZZWEAN-HUUCEWRRSA-N 1 0 297.402 3.025 20 10 CGCDRO CC[C@H]([NH2+]C[C@H](CO)c1ccccc1)c1ccccc1O ZINC000186237074 262085162 /nfs/dbraw/zinc/08/51/62/262085162.db2.gz WYZRVMIXOFAXOQ-WBVHZDCISA-N 1 0 285.387 3.209 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cccc(CO)c1)c1ccccc1O ZINC000185210658 262302086 /nfs/dbraw/zinc/30/20/86/262302086.db2.gz FRSSEEWEXRFNAH-MRXNPFEDSA-N 1 0 271.360 3.125 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(O)c2)c1 ZINC000185300038 262304493 /nfs/dbraw/zinc/30/44/93/262304493.db2.gz NUJNYBBIMXLENX-GFCCVEGCSA-N 1 0 257.333 3.257 20 10 CGCDRO COc1ccc(O)c(C[NH2+]CCc2cc(F)cc(F)c2)c1 ZINC000060717717 262391883 /nfs/dbraw/zinc/39/18/83/262391883.db2.gz OZCHUVUNCYFUEG-UHFFFAOYSA-N 1 0 293.313 3.011 20 10 CGCDRO CC[C@@H]([NH2+][C@H](C)Cn1ccnc1)c1ccc(N(C)C)cc1 ZINC000268788887 262957946 /nfs/dbraw/zinc/95/79/46/262957946.db2.gz CHLQYISJPWZTQO-RHSMWYFYSA-N 1 0 286.423 3.079 20 10 CGCDRO CC[C@@H]([NH2+][C@H](CC)C(C)(C)O)c1ccc(C)cc1O ZINC000295028689 265022852 /nfs/dbraw/zinc/02/28/52/265022852.db2.gz OIHNVHNTOCSDEL-UKRRQHHQSA-N 1 0 265.397 3.291 20 10 CGCDRO CO[C@H]1CCC[N@H+](Cc2cc(C)c(C)cc2O)CC1 ZINC000370704656 267341091 /nfs/dbraw/zinc/34/10/91/267341091.db2.gz ALGIHHMKJUOGDZ-HNNXBMFYSA-N 1 0 263.381 3.010 20 10 CGCDRO COc1ccc(N2CCC[N@@H+](C3CCCC3)CC2)cc1 ZINC000120131493 267384963 /nfs/dbraw/zinc/38/49/63/267384963.db2.gz AYFKLWPUFPDROJ-UHFFFAOYSA-N 1 0 274.408 3.150 20 10 CGCDRO COCc1ccccc1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296155101 277612894 /nfs/dbraw/zinc/61/28/94/277612894.db2.gz WXFWYGPWVKBFNZ-MRXNPFEDSA-N 1 0 283.371 3.316 20 10 CGCDRO C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297637314 278297584 /nfs/dbraw/zinc/29/75/84/278297584.db2.gz JOMICNUGNQIRLX-BLLLJJGKSA-N 1 0 283.371 3.306 20 10 CGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1CN(C2CC2)C[C@@H]1C ZINC000355140596 280269631 /nfs/dbraw/zinc/26/96/31/280269631.db2.gz XZBOMXVRWTZRNZ-SUMWQHHRSA-N 1 0 297.446 3.059 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](CO)c2ccccc2)c(O)c1 ZINC000185652641 327842289 /nfs/dbraw/zinc/84/22/89/327842289.db2.gz GGTMKWCDXGMLQX-GDBMZVCRSA-N 1 0 285.387 3.127 20 10 CGCDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)c2cc(C)ccc2O)C1 ZINC000281013973 328238297 /nfs/dbraw/zinc/23/82/97/328238297.db2.gz LPJXTILJDSEDEL-MJBXVCDLSA-N 1 0 291.391 3.083 20 10 CGCDRO CCOc1cccc(C[N@H+](C)[C@@H](C)C2(C)CC2)c1O ZINC000091900545 327187414 /nfs/dbraw/zinc/18/74/14/327187414.db2.gz QIAJSIHORGXROR-LBPRGKRZSA-N 1 0 263.381 3.411 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CC[C@H](C)CCO)cc1 ZINC000295054364 327601123 /nfs/dbraw/zinc/60/11/23/327601123.db2.gz FZDMMGIIHIPGSJ-HNNXBMFYSA-N 1 0 278.440 3.031 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](C3CC3)C2)c1O ZINC000378349430 329047268 /nfs/dbraw/zinc/04/72/68/329047268.db2.gz OMADAVSIGLOFNE-CYBMUJFWSA-N 1 0 261.365 3.023 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]C2CCSCC2)c1O ZINC000169086917 329063829 /nfs/dbraw/zinc/06/38/29/329063829.db2.gz CCFDGXXCEURKGV-UHFFFAOYSA-N 1 0 287.812 3.039 20 10 CGCDRO Oc1ccc(C2=CC[N@H+](Cc3ccccc3O)CC2)cc1 ZINC000179558325 329209723 /nfs/dbraw/zinc/20/97/23/329209723.db2.gz NJYDVQRDUSTZRP-UHFFFAOYSA-N 1 0 281.355 3.387 20 10 CGCDRO CC(C)OCCCC[NH2+]Cc1c(O)cccc1Cl ZINC000228565173 329344011 /nfs/dbraw/zinc/34/40/11/329344011.db2.gz YUFJBOGBTWEEIK-UHFFFAOYSA-N 1 0 271.788 3.340 20 10 CGCDRO C[C@@H]([NH2+]CC12CC(C1)CO2)c1cc2c(cc1O)CCCC2 ZINC000527983166 330298461 /nfs/dbraw/zinc/29/84/61/330298461.db2.gz UHDLERWLRYQOGI-WHENESEISA-N 1 0 287.403 3.101 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)c2c1c(F)ccc2O ZINC000527998486 330299882 /nfs/dbraw/zinc/29/98/82/330299882.db2.gz BDXPNHWPHKJCHC-OFBWXKQLSA-N 1 0 293.382 3.481 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2[C@H](C)O[C@H](C)[C@H]2C)c1 ZINC000528000495 330300027 /nfs/dbraw/zinc/30/00/27/330300027.db2.gz FYPUCFGKUPTMQE-CRQFQMBKSA-N 1 0 263.381 3.163 20 10 CGCDRO CC[C@H]([NH2+]Cc1c(C)c2ccccc2n1C)c1ccn(C)n1 ZINC000479449743 331730449 /nfs/dbraw/zinc/73/04/49/331730449.db2.gz DZRZCKUHFXYAMC-HNNXBMFYSA-N 1 0 296.418 3.461 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCO[C@H](C)C2)cc1 ZINC000219924471 333159466 /nfs/dbraw/zinc/15/94/66/333159466.db2.gz SHFAODSSABOZOD-GDBMZVCRSA-N 1 0 276.424 3.190 20 10 CGCDRO CC[C@H]([NH2+]C[C@H]1CCO[C@@H](C)C1)c1ccccc1O ZINC000274901787 334785191 /nfs/dbraw/zinc/78/51/91/334785191.db2.gz LKKALBTUWNJEOC-YDHLFZDLSA-N 1 0 263.381 3.248 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2COC3(CCCC3)O2)c(O)c1 ZINC000273531979 518189569 /nfs/dbraw/zinc/18/95/69/518189569.db2.gz WMGHFZBIEYIGBW-KGLIPLIRSA-N 1 0 291.391 3.037 20 10 CGCDRO CC(C)[C@@H](O)C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000265279113 519801130 /nfs/dbraw/zinc/80/11/30/519801130.db2.gz WOZVNRFHFLLDEN-SFHVURJKSA-N 1 0 285.387 3.166 20 10 CGCDRO CCOCc1ccccc1C[NH2+]Cc1ccccc1O ZINC000037762190 520214482 /nfs/dbraw/zinc/21/44/82/520214482.db2.gz VXBANQSYEFZSLX-UHFFFAOYSA-N 1 0 271.360 3.219 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCc2nccs2)cc1 ZINC000127866064 520287161 /nfs/dbraw/zinc/28/71/61/520287161.db2.gz WJVLLGCNALOJOS-ZDUSSCGKSA-N 1 0 289.448 3.493 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCOC[C@H]2C)cc1 ZINC000278634146 520289472 /nfs/dbraw/zinc/28/94/72/520289472.db2.gz SCJNRGDHYCNGHW-KEYYUXOJSA-N 1 0 276.424 3.218 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2[C@H]3Cc4ccccc4[C@@H]23)c1 ZINC000290519229 521155189 /nfs/dbraw/zinc/15/51/89/521155189.db2.gz PYZQJGNVOBYIET-QXAKKESOSA-N 1 0 295.382 3.219 20 10 CGCDRO CC[N@H+](Cc1cccc(OC)c1O)[C@@H]1CCOC(C)(C)C1 ZINC000291583973 521354850 /nfs/dbraw/zinc/35/48/50/521354850.db2.gz PDHSIMGILBSSEN-CQSZACIVSA-N 1 0 293.407 3.180 20 10 CGCDRO CCOc1cccc(C[NH2+][C@H](CC)CSC)c1O ZINC000163873016 521376160 /nfs/dbraw/zinc/37/61/60/521376160.db2.gz IBFOXSAZSSYUMT-GFCCVEGCSA-N 1 0 269.410 3.022 20 10 CGCDRO CCCN(CC1(SC)CC1)c1ccc(C[NH3+])cc1 ZINC000289603972 521618960 /nfs/dbraw/zinc/61/89/60/521618960.db2.gz JCXVNLDLZPNRNN-UHFFFAOYSA-N 1 0 264.438 3.257 20 10 CGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@H](O)C(C)(C)C ZINC000290259887 521689928 /nfs/dbraw/zinc/68/99/28/521689928.db2.gz KPEWJNMLTJDRFM-HNNXBMFYSA-N 1 0 265.397 3.011 20 10 CGCDRO CC[C@H](C[NH2+][C@H](CC)c1ccc(C)cc1O)OC ZINC000290216689 522200539 /nfs/dbraw/zinc/20/05/39/522200539.db2.gz QLSDIRNGNDRCOR-TZMCWYRMSA-N 1 0 251.370 3.166 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H]1CCSC1)c1ccc(C)cc1O ZINC000280007142 522619781 /nfs/dbraw/zinc/61/97/81/522619781.db2.gz GJMMXEWWUXGKHG-JSGCOSHPSA-N 1 0 265.422 3.494 20 10 CGCDRO CC[C@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1ccc(C)cc1O ZINC000280014812 522620594 /nfs/dbraw/zinc/62/05/94/522620594.db2.gz GYKVULKQOYZNDY-WCQYABFASA-N 1 0 291.313 3.055 20 10 CGCDRO CC[C@@H]([NH2+][C@H]1CCCC[C@@H]1O)c1ccc(C)cc1O ZINC000280263975 522946886 /nfs/dbraw/zinc/94/68/86/522946886.db2.gz XKLRZDNWQZMNCL-ILXRZTDVSA-N 1 0 263.381 3.045 20 10 CGCDRO COCc1nc(C[NH2+][C@H](C)c2cc(C)ccc2O)cs1 ZINC000289659622 523202889 /nfs/dbraw/zinc/20/28/89/523202889.db2.gz GQIXZUAOMHDHGX-LLVKDONJSA-N 1 0 292.404 3.154 20 10 CGCDRO COCc1nc(C[NH2+][C@@H](C)c2ccc(C)cc2O)cs1 ZINC000289717065 523203390 /nfs/dbraw/zinc/20/33/90/523203390.db2.gz JKSOUDJCPSDDNC-NSHDSACASA-N 1 0 292.404 3.154 20 10 CGCDRO CC[C@]1(CO)CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000275132876 523617192 /nfs/dbraw/zinc/61/71/92/523617192.db2.gz LIMRYHJTKYUEGD-HNNXBMFYSA-N 1 0 283.799 3.030 20 10 CGCDRO COc1ccccc1C(C)(C)[NH2+]Cc1ccccc1O ZINC000237106481 524367583 /nfs/dbraw/zinc/36/75/83/524367583.db2.gz SOEFKGWZXGVDRA-UHFFFAOYSA-N 1 0 271.360 3.426 20 10 CGCDRO C[C@H]1C[C@@H](CC[NH2+]Cc2ccc(N(C)C)cc2)CCO1 ZINC000273086462 524777652 /nfs/dbraw/zinc/77/76/52/524777652.db2.gz RQWVYQRUVNUGRQ-GJZGRUSLSA-N 1 0 276.424 3.047 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+](C)[C@H]2CCN(C)C[C@H]2C)c1O ZINC000290343740 524862372 /nfs/dbraw/zinc/86/23/72/524862372.db2.gz FQORHXONPRIIBE-DOMZBBRYSA-N 1 0 296.842 3.126 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](N3CCCCC3)C2)cc1C ZINC000264561895 525320036 /nfs/dbraw/zinc/32/00/36/525320036.db2.gz FSFDKAQPNZJTJW-KRWDZBQOSA-N 1 0 288.435 3.069 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c1 ZINC000290998902 525337755 /nfs/dbraw/zinc/33/77/55/525337755.db2.gz AQEWWBFVUOJFOZ-HOTGVXAUSA-N 1 0 275.392 3.090 20 10 CGCDRO Cc1ccc(O)c(C[N@H+]2CCCCC[C@@H]2C[C@@H](C)O)c1 ZINC000289945231 525341959 /nfs/dbraw/zinc/34/19/59/525341959.db2.gz YMRVTEIYQWWVKT-GDBMZVCRSA-N 1 0 277.408 3.216 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H]2CCCc3occc32)c1 ZINC000071406856 525354285 /nfs/dbraw/zinc/35/42/85/525354285.db2.gz TZYSLRWJTUFSRV-AWEZNQCLSA-N 1 0 257.333 3.461 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ncccc2N(C)C)c1 ZINC000289941030 525365893 /nfs/dbraw/zinc/36/58/93/525365893.db2.gz VXYGBGRLCVCVRS-ZDUSSCGKSA-N 1 0 285.391 3.012 20 10 CGCDRO C[C@H]([NH2+]Cc1cccc2c1OCO2)c1cc(F)ccc1O ZINC000094617815 525458119 /nfs/dbraw/zinc/45/81/19/525458119.db2.gz IDQKKJHSOMEHRF-JTQLQIEISA-N 1 0 289.306 3.111 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CCC1(C)C)c1ccc(N2CCOCC2)cc1 ZINC000284419195 525674229 /nfs/dbraw/zinc/67/42/29/525674229.db2.gz QRYAYMQVJYSEBN-PBHICJAKSA-N 1 0 288.435 3.362 20 10 CGCDRO CSC[C@H](C)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000131542766 525694838 /nfs/dbraw/zinc/69/48/38/525694838.db2.gz WGFNNHPQOHNNCL-NWDGAFQWSA-N 1 0 252.427 3.155 20 10 CGCDRO C[C@H](O)CCC[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000279048002 525715044 /nfs/dbraw/zinc/71/50/44/525715044.db2.gz JVXHUQSYDZLFLH-HOTGVXAUSA-N 1 0 290.451 3.489 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCOCC2)c(O)c1C ZINC000273518050 525936479 /nfs/dbraw/zinc/93/64/79/525936479.db2.gz SYPIWYCGFDOSJZ-UONOGXRCSA-N 1 0 263.381 3.229 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCc3c2cnn3C)c(O)c1 ZINC000037087190 525938861 /nfs/dbraw/zinc/93/88/61/525938861.db2.gz YGNSRBKQTKKKEC-SWLSCSKDSA-N 1 0 285.391 3.162 20 10 CGCDRO COc1cccc(C[NH2+][C@@H]2CS[C@@H](C(C)C)C2)c1O ZINC000289393849 526034402 /nfs/dbraw/zinc/03/44/02/526034402.db2.gz FJUWGFULALKONN-GXTWGEPZSA-N 1 0 281.421 3.021 20 10 CGCDRO COc1cccc(C[NH2+][C@H](C)Cc2ccc(F)cc2)c1O ZINC000060942093 526035847 /nfs/dbraw/zinc/03/58/47/526035847.db2.gz UCHMYKUTXSPGOR-GFCCVEGCSA-N 1 0 289.350 3.261 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]C[C@H]1COc3ccccc31)CC2 ZINC000297319115 526368721 /nfs/dbraw/zinc/36/87/21/526368721.db2.gz NFJKYUHFYCSUMF-DZGCQCFKSA-N 1 0 281.355 3.145 20 10 CGCDRO OCC[C@@H](C[NH2+][C@@H]1CCc2cccc(O)c21)c1ccccc1 ZINC000297719124 527560428 /nfs/dbraw/zinc/56/04/28/527560428.db2.gz NBGYPTBHZOBYPJ-DLBZAZTESA-N 1 0 297.398 3.135 20 10 CGCDRO C[C@]1(C[NH2+]Cc2c(O)cccc2Cl)CCCC[C@@H]1O ZINC000748243318 571673004 /nfs/dbraw/zinc/67/30/04/571673004.db2.gz XOYKHFRLTUAILS-LSDHHAIUSA-N 1 0 283.799 3.076 20 10 CGCDRO Cc1cc(O)c(C[N@H+](C)[C@@H]2CCOC2)cc1C(C)C ZINC000730260830 572333917 /nfs/dbraw/zinc/33/39/17/572333917.db2.gz VNPJTIVBXVGJQE-CQSZACIVSA-N 1 0 263.381 3.045 20 10 CGCDRO CC[C@@H](CCO)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000740898887 572467479 /nfs/dbraw/zinc/46/74/79/572467479.db2.gz FMTDFGKNSRNUIO-KRWDZBQOSA-N 1 0 285.387 3.310 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)CCOCC2CC2)cc1 ZINC000741774399 572525214 /nfs/dbraw/zinc/52/52/14/572525214.db2.gz BGVXVIHUXUPZMF-UHFFFAOYSA-N 1 0 290.451 3.391 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccncc1 ZINC000742372668 572569606 /nfs/dbraw/zinc/56/96/06/572569606.db2.gz RZJWUCKTTOPMLD-INIZCTEOSA-N 1 0 268.360 3.257 20 10 CGCDRO Cc1cccc(F)c1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000742379912 572571586 /nfs/dbraw/zinc/57/15/86/572571586.db2.gz CMPNXLAMLOUEJC-UHFFFAOYSA-N 1 0 271.335 3.359 20 10 CGCDRO CC(C)(C[NH2+]Cc1ccccc1O)Oc1ccccc1 ZINC000734161491 572636465 /nfs/dbraw/zinc/63/64/65/572636465.db2.gz SUCCPYKEQQCZFL-UHFFFAOYSA-N 1 0 271.360 3.339 20 10 CGCDRO CC(C)(C)OC(=O)CCC[NH2+]Cc1c(O)cccc1Cl ZINC000744450079 572754067 /nfs/dbraw/zinc/75/40/67/572754067.db2.gz KRMRIZGDNTTZHM-UHFFFAOYSA-N 1 0 299.798 3.257 20 10 CGCDRO Cc1cc(CC[NH2+][C@@H]2CCO[C@@H]2C)c(C)n1-c1ccccc1 ZINC000747859630 572951499 /nfs/dbraw/zinc/95/14/99/572951499.db2.gz OMRKQARSCVEQOK-VQIMIIECSA-N 1 0 298.430 3.404 20 10 CGCDRO Cn1cc([C@H]([NH2+]Cc2ccccc2O)C(C)(C)C)cn1 ZINC000748246341 572970489 /nfs/dbraw/zinc/97/04/89/572970489.db2.gz MVQFOWLLILPSMU-HNNXBMFYSA-N 1 0 273.380 3.003 20 10 CGCDRO C[C@@H](Cc1ccncc1)[NH2+]Cc1cc(Cl)ccc1O ZINC000749297146 572991733 /nfs/dbraw/zinc/99/17/33/572991733.db2.gz SXTNEFKPMFXXIH-NSHDSACASA-N 1 0 276.767 3.161 20 10 CGCDRO Oc1cccc(Cl)c1C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000846117137 618073939 /nfs/dbraw/zinc/07/39/39/618073939.db2.gz NFGNIVJRXQAMBG-GFCCVEGCSA-N 1 0 273.710 3.277 20 10 CGCDRO COC[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000160193840 617615544 /nfs/dbraw/zinc/61/55/44/617615544.db2.gz PGAOLWWMAMMAFC-CQSZACIVSA-N 1 0 289.419 3.129 20 10 CGCDRO C[N@H+](Cc1cc2c(cc1O)CCCC2)[C@@H]1CCSC1 ZINC000160499505 618079307 /nfs/dbraw/zinc/07/93/07/618079307.db2.gz AEDMGCJGRZXNLF-OAHLLOKOSA-N 1 0 277.433 3.208 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCOCC2CCCC2)c1 ZINC000313246727 618180570 /nfs/dbraw/zinc/18/05/70/618180570.db2.gz ABCBPSJNSQBULZ-ZDUSSCGKSA-N 1 0 293.407 3.258 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)CCCOC)cc1 ZINC000178229036 618244173 /nfs/dbraw/zinc/24/41/73/618244173.db2.gz ACASSLUKIFZXLD-OAHLLOKOSA-N 1 0 278.440 3.438 20 10 CGCDRO C[N@H+](Cc1cccc(-n2cccn2)c1)Cc1ccccc1O ZINC000091956495 618369608 /nfs/dbraw/zinc/36/96/08/618369608.db2.gz ZYNDDZFTNIYEGZ-UHFFFAOYSA-N 1 0 293.370 3.210 20 10 CGCDRO CCN(CC)C[C@H](C)[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000045691443 618622020 /nfs/dbraw/zinc/62/20/20/618622020.db2.gz SHEWYHYILNSHJQ-KBPBESRZSA-N 1 0 264.413 3.082 20 10 CGCDRO CC(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(F)cc2[O-])CC1 ZINC000184972720 625284674 /nfs/dbraw/zinc/28/46/74/625284674.db2.gz HEIGGTHHJJJNSL-ZDUSSCGKSA-N 1 0 294.414 3.302 20 10 CGCDRO CC(C)(C[NH2+][C@@H]1CCc2cccc(O)c21)OCC1CC1 ZINC000840874972 618746140 /nfs/dbraw/zinc/74/61/40/618746140.db2.gz BMQDMEGANDRQQE-CQSZACIVSA-N 1 0 275.392 3.174 20 10 CGCDRO C[C@H]([NH2+]CCN1CCCC[C@@H]1C)c1cc(F)ccc1O ZINC000185028224 625290658 /nfs/dbraw/zinc/29/06/58/625290658.db2.gz PBKXEQLHDNDKGO-STQMWFEESA-N 1 0 280.387 3.056 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@]2(C)CCCO2)cc1 ZINC000167036982 618798237 /nfs/dbraw/zinc/79/82/37/618798237.db2.gz GPJAJGAJUDYSNC-YOEHRIQHSA-N 1 0 276.424 3.362 20 10 CGCDRO CCN(CC)[C@@H]1CC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000173460814 618856339 /nfs/dbraw/zinc/85/63/39/618856339.db2.gz YNIBBFIFCQYOBW-MRXNPFEDSA-N 1 0 298.430 3.462 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CC2(O)CCCC2)cc1 ZINC000164198463 618893234 /nfs/dbraw/zinc/89/32/34/618893234.db2.gz BGDFIZHEGJKTFD-CQSZACIVSA-N 1 0 276.424 3.098 20 10 CGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCC[C@H]2C)c(O)c1OC ZINC000892677586 618899942 /nfs/dbraw/zinc/89/99/42/618899942.db2.gz HWFJLIHAFUHGMA-OLZOCXBDSA-N 1 0 293.407 3.325 20 10 CGCDRO CC[C@H]([NH2+]C[C@H](C1CC1)N(C)C)c1ccc(N(C)C)cc1 ZINC000166264944 618903603 /nfs/dbraw/zinc/90/36/03/618903603.db2.gz CRVFCFVHMTYBDZ-ZWKOTPCHSA-N 1 0 289.467 3.134 20 10 CGCDRO CSCCCC[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000168783710 618913964 /nfs/dbraw/zinc/91/39/64/618913964.db2.gz ZAQDHOQYSQXOML-LBPRGKRZSA-N 1 0 253.411 3.494 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H](C)c1cnccn1 ZINC000840895285 618961159 /nfs/dbraw/zinc/96/11/59/618961159.db2.gz WVVOWTJOVPVZEY-GJZGRUSLSA-N 1 0 298.434 3.133 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](CO)C1)c1cc(Cl)ccc1O ZINC000840895569 618961850 /nfs/dbraw/zinc/96/18/50/618961850.db2.gz NVEVFTNEYMYYGC-DMDPSCGWSA-N 1 0 283.799 3.247 20 10 CGCDRO CCOc1ccc(C[NH2+]C[C@H]2CCCCS2)c(O)c1 ZINC000784618918 618967324 /nfs/dbraw/zinc/96/73/24/618967324.db2.gz VFQLADRMURNQOX-CQSZACIVSA-N 1 0 281.421 3.166 20 10 CGCDRO COC[C@@H](C)C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000185148967 625310931 /nfs/dbraw/zinc/31/09/31/625310931.db2.gz IFIAMWBBSUHLKR-STQMWFEESA-N 1 0 277.408 3.204 20 10 CGCDRO Cc1cccc(CN(CCC[NH3+])c2cccc(F)c2)c1O ZINC000183219859 619043351 /nfs/dbraw/zinc/04/33/51/619043351.db2.gz ODNZJEPRSJKUKZ-UHFFFAOYSA-N 1 0 288.366 3.195 20 10 CGCDRO CC[C@@H](COC)[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000185504108 619062035 /nfs/dbraw/zinc/06/20/35/619062035.db2.gz JXMYYYQLBFXZNT-DOMZBBRYSA-N 1 0 277.408 3.347 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H]2CCCO[C@@H]2CC(C)C)c1O ZINC000187680211 619079192 /nfs/dbraw/zinc/07/91/92/619079192.db2.gz LNRUDLYRIUPVOZ-HZPDHXFCSA-N 1 0 277.408 3.384 20 10 CGCDRO Cc1nc(C)c(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)o1 ZINC000312543744 619087754 /nfs/dbraw/zinc/08/77/54/619087754.db2.gz LRXCPAWNKMEFPM-LLVKDONJSA-N 1 0 273.380 3.208 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)[C@H](C)OC)cc1F ZINC000189123799 619090076 /nfs/dbraw/zinc/09/00/76/619090076.db2.gz CKTCBDJLXCKXAK-STQMWFEESA-N 1 0 282.403 3.185 20 10 CGCDRO COc1cnccc1[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000189554653 619093564 /nfs/dbraw/zinc/09/35/64/619093564.db2.gz UDBNDDAEZZYVMN-ZDUSSCGKSA-N 1 0 285.391 3.007 20 10 CGCDRO C[C@H]([NH2+][C@@H]1COc2ccccc2C1)c1cc(F)ccc1O ZINC000185224644 619222250 /nfs/dbraw/zinc/22/22/50/619222250.db2.gz IBDBZNIMXSJJDR-FZMZJTMJSA-N 1 0 287.334 3.186 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1CCOC(C)(C)C1 ZINC000840952481 619255844 /nfs/dbraw/zinc/25/58/44/619255844.db2.gz AUEOPDOHXFYRBJ-OAHLLOKOSA-N 1 0 290.451 3.356 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CS[C@@H](C)C1 ZINC000840959015 619276094 /nfs/dbraw/zinc/27/60/94/619276094.db2.gz RBORTEBZTRMQBD-GXTWGEPZSA-N 1 0 264.438 3.045 20 10 CGCDRO CO[C@@](C)([C@@H](C)[NH2+]Cc1cc(C)c(C)cc1O)C1CC1 ZINC000840961305 619281031 /nfs/dbraw/zinc/28/10/31/619281031.db2.gz UXNYZHGEULJENR-DYVFJYSZSA-N 1 0 277.408 3.302 20 10 CGCDRO COc1ccc(C[NH2+]CC(C)(C)c2cccnc2)cc1C ZINC000840975281 619306324 /nfs/dbraw/zinc/30/63/24/619306324.db2.gz MTDCJPMEHJWTSQ-UHFFFAOYSA-N 1 0 284.403 3.466 20 10 CGCDRO C[C@H]([NH2+]C[C@@H](O)C1CCCCC1)c1ccc(N(C)C)cc1 ZINC000163104497 619310222 /nfs/dbraw/zinc/31/02/22/619310222.db2.gz SRUHJXOOLBJRDJ-KBXCAEBGSA-N 1 0 290.451 3.344 20 10 CGCDRO CCCN(Cc1cnn(C2CCC2)c1)c1ccc(C[NH3+])cc1 ZINC000894045248 619358230 /nfs/dbraw/zinc/35/82/30/619358230.db2.gz FKRPEWGIZSDXOQ-UHFFFAOYSA-N 1 0 298.434 3.483 20 10 CGCDRO COc1cc(C)cc(C[NH2+]CCSC(F)(F)F)c1O ZINC000894187860 619408741 /nfs/dbraw/zinc/40/87/41/619408741.db2.gz VDVSAPYJZMSXIO-UHFFFAOYSA-N 1 0 295.326 3.052 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]C[C@@H](O)c1ccc(Cl)cc1 ZINC000814178805 619415688 /nfs/dbraw/zinc/41/56/88/619415688.db2.gz DLEQKTDAAHYVIH-OAHLLOKOSA-N 1 0 295.741 3.008 20 10 CGCDRO c1cc(C[NH2+]Cc2ccc3c(c2)CCO3)c2c(c1)CCCN2 ZINC000894212520 619426283 /nfs/dbraw/zinc/42/62/83/619426283.db2.gz FABFKJGVGRYRTI-UHFFFAOYSA-N 1 0 294.398 3.269 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@@H](C)c2cccc(O)c2)c1O ZINC000894242394 619438005 /nfs/dbraw/zinc/43/80/05/619438005.db2.gz YTHYWMPPLXBMKE-LBPRGKRZSA-N 1 0 287.359 3.266 20 10 CGCDRO CCCC(O)(CCC)C[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894282999 619465327 /nfs/dbraw/zinc/46/53/27/619465327.db2.gz BMSINTZXWRURKR-UHFFFAOYSA-N 1 0 295.423 3.130 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cc(C)cc(OC)c1O)c1ccncc1 ZINC000894291036 619468525 /nfs/dbraw/zinc/46/85/25/619468525.db2.gz GTLNJJYCQHTLDO-OAHLLOKOSA-N 1 0 286.375 3.345 20 10 CGCDRO COc1cc(C)cc(C[N@H+](C)[C@H](C)c2ccncc2)c1O ZINC000894450376 619542530 /nfs/dbraw/zinc/54/25/30/619542530.db2.gz ZXLZDLYRXNGBLB-CYBMUJFWSA-N 1 0 286.375 3.297 20 10 CGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCC2(C)C)c(O)c1OC ZINC000894646721 619593754 /nfs/dbraw/zinc/59/37/54/619593754.db2.gz ISWSMFCWMUJVIA-ZDUSSCGKSA-N 1 0 293.407 3.325 20 10 CGCDRO CCC(CC)[C@H](O)C[NH2+][C@H](C)c1ccc(C)cc1O ZINC000185424796 625358749 /nfs/dbraw/zinc/35/87/49/625358749.db2.gz NHYIDZMJNGMTHJ-MLGOLLRUSA-N 1 0 265.397 3.148 20 10 CGCDRO CC(C)[C@](C)(O)C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000185434273 625358867 /nfs/dbraw/zinc/35/88/67/625358867.db2.gz LQRSGODKADNQGU-SCLBCKFNSA-N 1 0 291.435 3.329 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCc3cccnc32)c1 ZINC000894783020 619635492 /nfs/dbraw/zinc/63/54/92/619635492.db2.gz PFDYGELARGFSLD-NHYWBVRUSA-N 1 0 284.359 3.134 20 10 CGCDRO CO[C@@]1(C)C[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)C1(C)C ZINC000237158631 619689549 /nfs/dbraw/zinc/68/95/49/619689549.db2.gz XJWGADPCKQUWBL-WBVHZDCISA-N 1 0 276.424 3.046 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@]2(C)CC=CCC2)c1O ZINC000894983370 619692218 /nfs/dbraw/zinc/69/22/18/619692218.db2.gz CJONBRCEJZTUGW-MRXNPFEDSA-N 1 0 261.365 3.298 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@H+]2CC[C@H](OCC(C)C)C2)c1 ZINC000164492969 619704785 /nfs/dbraw/zinc/70/47/85/619704785.db2.gz SLVWGEXTFRSQOE-INIZCTEOSA-N 1 0 277.408 3.256 20 10 CGCDRO COc1cc(C)cc(C[NH+]2CC(c3ccccc3)C2)c1O ZINC000895418311 619823912 /nfs/dbraw/zinc/82/39/12/619823912.db2.gz LUAQWCHNUJPVDX-UHFFFAOYSA-N 1 0 283.371 3.309 20 10 CGCDRO COc1ccc(O)c(C[NH2+]CC(C)(C)CC(F)F)c1 ZINC000895535538 619844538 /nfs/dbraw/zinc/84/45/38/619844538.db2.gz VGJPXELKSBMPHI-UHFFFAOYSA-N 1 0 273.323 3.172 20 10 CGCDRO COc1cccc(C[N@@H+]2CCSC[C@@H]2C2CCC2)c1O ZINC000841893194 619887308 /nfs/dbraw/zinc/88/73/08/619887308.db2.gz GJOCOCDWERSAOM-CQSZACIVSA-N 1 0 293.432 3.118 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]CC1(C2(O)CCC2)CCC1 ZINC000895869633 619900458 /nfs/dbraw/zinc/90/04/58/619900458.db2.gz HBJIRLNZBLVMLO-UHFFFAOYSA-N 1 0 295.810 3.221 20 10 CGCDRO CN(C)c1ccc(/C=C\C[N@H+](C)CCCF)cc1 ZINC000895896112 619905156 /nfs/dbraw/zinc/90/51/56/619905156.db2.gz MTJCCTXEMXSRNC-XQRVVYSFSA-N 1 0 250.361 3.057 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000896226716 619970080 /nfs/dbraw/zinc/97/00/80/619970080.db2.gz HZZCQRYIGHVXQH-LBPRGKRZSA-N 1 0 289.272 3.259 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCS[C@@H](C(F)(F)F)C2)c1O ZINC000896455956 620011511 /nfs/dbraw/zinc/01/15/11/620011511.db2.gz LYYOLUPRXPGZLL-LLVKDONJSA-N 1 0 291.338 3.180 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@@H](c2ccccn2)C2CC2)c1O ZINC000896607926 620036894 /nfs/dbraw/zinc/03/68/94/620036894.db2.gz BFWOHBQMNPMVBE-QGZVFWFLSA-N 1 0 298.386 3.345 20 10 CGCDRO COc1ccc(C[NH2+]C(C)(C)/C=C/Cl)c(O)c1OC ZINC000896752276 620056677 /nfs/dbraw/zinc/05/66/77/620056677.db2.gz QGBBBXALPFNLLH-BQYQJAHWSA-N 1 0 285.771 3.030 20 10 CGCDRO Cc1ccc(C[NH2+][C@H]2CCS[C@@H](C)C2)c(O)c1 ZINC000896950587 620112020 /nfs/dbraw/zinc/11/20/20/620112020.db2.gz DMQULTPQVLFWKR-AAEUAGOBSA-N 1 0 251.395 3.074 20 10 CGCDRO C[C@@H](C[NH2+]Cc1cc(Cl)ccc1O)c1nccs1 ZINC000230693876 620292425 /nfs/dbraw/zinc/29/24/25/620292425.db2.gz LQYHCWZPLNVRFD-VIFPVBQESA-N 1 0 282.796 3.395 20 10 CGCDRO CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])C1 ZINC000841743950 620345145 /nfs/dbraw/zinc/34/51/45/620345145.db2.gz DMJUEDDIKCGPQP-NEPJUHHUSA-N 1 0 282.815 3.038 20 10 CGCDRO CCC[C@@H]1C[N@H+](Cc2cc(C)cc(C)c2O)CCO1 ZINC000152471577 620377599 /nfs/dbraw/zinc/37/75/99/620377599.db2.gz OQUYFTWTFYIKGH-OAHLLOKOSA-N 1 0 263.381 3.010 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H]2CCOC23CCCCC3)c(O)c1 ZINC000897728042 620421735 /nfs/dbraw/zinc/42/17/35/620421735.db2.gz XXMGYPLBXZQWOB-MRXNPFEDSA-N 1 0 275.392 3.282 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@@H]2CCSC(C)(C)C2)c1O ZINC000897790241 620431703 /nfs/dbraw/zinc/43/17/03/620431703.db2.gz SNEMRVNPLRYPKR-CYBMUJFWSA-N 1 0 295.448 3.473 20 10 CGCDRO CCOc1ccc(C[NH2+][C@H](C)c2cncs2)c(O)c1 ZINC000897935417 620452108 /nfs/dbraw/zinc/45/21/08/620452108.db2.gz XEJQPVMOMFICFF-SNVBAGLBSA-N 1 0 278.377 3.098 20 10 CGCDRO Cc1ncccc1CC[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000898251818 620497815 /nfs/dbraw/zinc/49/78/15/620497815.db2.gz NCCKDYLRSMPWGP-XQRVVYSFSA-N 1 0 295.430 3.302 20 10 CGCDRO Cc1ncccc1CC[NH2+]Cc1c(O)cccc1Cl ZINC000898256794 620504973 /nfs/dbraw/zinc/50/49/73/620504973.db2.gz HDYUSISAGQEZOA-UHFFFAOYSA-N 1 0 276.767 3.081 20 10 CGCDRO CCOCc1cc(C[NH2+]C(C)(C)CSC)ccc1OC ZINC000898305862 620509153 /nfs/dbraw/zinc/50/91/53/620509153.db2.gz VSYPKFYOTAUOLJ-UHFFFAOYSA-N 1 0 297.464 3.463 20 10 CGCDRO CC[C@](C)(C[NH2+][C@H](C)c1ccc(C)cc1O)OC ZINC000322944014 620526087 /nfs/dbraw/zinc/52/60/87/620526087.db2.gz QCPAZCNBOFZGCT-IUODEOHRSA-N 1 0 251.370 3.166 20 10 CGCDRO CC[C@@H](N[C@H]1C[NH2+]CC1(C)C)c1cccc(Cl)c1[O-] ZINC000902447285 621328158 /nfs/dbraw/zinc/32/81/58/621328158.db2.gz YGBPEEAHZGPSHV-OLZOCXBDSA-N 1 0 282.815 3.084 20 10 CGCDRO CO[C@H]1CC[C@H]1[N@H+](C)Cc1c(O)ccc2ccccc21 ZINC000902634657 621390042 /nfs/dbraw/zinc/39/00/42/621390042.db2.gz OUECROFMQIDGGV-WBVHZDCISA-N 1 0 271.360 3.155 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C2C[C@H]3CCC[C@@H]3C2)c1 ZINC000902867359 621473176 /nfs/dbraw/zinc/47/31/76/621473176.db2.gz CCDXSSWVSUZAKF-VXGBXAGGSA-N 1 0 261.365 3.069 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]CC(C)(C)C2CC2)c1O ZINC000903239438 621636002 /nfs/dbraw/zinc/63/60/02/621636002.db2.gz FOKFOXUNOKFVOD-LLVKDONJSA-N 1 0 263.381 3.488 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2CC[C@H](C3CC3)O2)c1O ZINC000903251644 621641757 /nfs/dbraw/zinc/64/17/57/621641757.db2.gz JMIFPAHSAIYWRA-CORIIIEPSA-N 1 0 291.391 3.009 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CC2(C3(O)CCC3)CC2)c1 ZINC000903258096 621645460 /nfs/dbraw/zinc/64/54/60/621645460.db2.gz PLCVFJNBFGMQRX-ZDUSSCGKSA-N 1 0 275.392 3.046 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)c1O ZINC000903286650 621669857 /nfs/dbraw/zinc/66/98/57/621669857.db2.gz LWFLCHYZVWGOAV-ZCICZYKUSA-N 1 0 293.794 3.180 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1cncs1 ZINC000903311326 621683802 /nfs/dbraw/zinc/68/38/02/621683802.db2.gz NREVVAUHJQIEFQ-MWLCHTKSSA-N 1 0 260.362 3.187 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1COC[C@@H]1C)c1cc(Cl)ccc1O ZINC000903393008 621718062 /nfs/dbraw/zinc/71/80/62/621718062.db2.gz DCKIXQFZDYPXJW-TVYUQYBPSA-N 1 0 269.772 3.121 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2COC[C@H]2C2CC2)c(O)c1C ZINC000903437563 621746361 /nfs/dbraw/zinc/74/63/61/621746361.db2.gz PGMOCHBKFOKTKO-VBNZEHGJSA-N 1 0 275.392 3.085 20 10 CGCDRO Cc1cc(C)c(O)c(C[NH+]2CCC(c3ccn(C)n3)CC2)c1 ZINC000905720319 622098252 /nfs/dbraw/zinc/09/82/52/622098252.db2.gz CNOGRRWFJLJZPO-UHFFFAOYSA-N 1 0 299.418 3.122 20 10 CGCDRO Cc1cc(O)c(C[NH+]2CCC(c3ccn(C)n3)CC2)cc1C ZINC000905725023 622100291 /nfs/dbraw/zinc/10/02/91/622100291.db2.gz XBPLLDYXYTYOPH-UHFFFAOYSA-N 1 0 299.418 3.122 20 10 CGCDRO CCO[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)C1 ZINC000840763482 625551346 /nfs/dbraw/zinc/55/13/46/625551346.db2.gz JOVUUWUOSNYXMJ-MEWQQHAOSA-N 1 0 279.355 3.237 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+][C@H](CO)c2ccsc2)c1O ZINC000770669065 625599559 /nfs/dbraw/zinc/59/95/59/625599559.db2.gz RGCFRHXBLXWDJQ-CYBMUJFWSA-N 1 0 297.807 3.239 20 10 CGCDRO CC[C@H]([NH2+]C1CCN(c2ccc(OC)cc2)CC1)C1CC1 ZINC000157445935 622906673 /nfs/dbraw/zinc/90/66/73/622906673.db2.gz DOAHIGGRXQANEQ-SFHVURJKSA-N 1 0 288.435 3.442 20 10 CGCDRO C[N@H+](CCn1cccn1)Cc1ccc(N2CCCCC2)cc1 ZINC000058395871 622923819 /nfs/dbraw/zinc/92/38/19/622923819.db2.gz JFVCLSOISGSMOG-UHFFFAOYSA-N 1 0 298.434 3.005 20 10 CGCDRO CCC[C@@](C)(O)C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000226252418 622955471 /nfs/dbraw/zinc/95/54/71/622955471.db2.gz SXIMWLFBVZDHKY-GOSISDBHSA-N 1 0 290.451 3.318 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+][C@H](C)C2CCC2)c1O ZINC000169093092 623022078 /nfs/dbraw/zinc/02/20/78/623022078.db2.gz POGBASGNKXTBEA-SECBINFHSA-N 1 0 269.772 3.332 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CCN(CC)C2CC2)cc1 ZINC000227551397 623023349 /nfs/dbraw/zinc/02/33/49/623023349.db2.gz RKTBBHOVINIOSU-UHFFFAOYSA-N 1 0 289.467 3.107 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H](C)c2ccsc2)c1 ZINC000061360931 623132748 /nfs/dbraw/zinc/13/27/48/623132748.db2.gz AZNDRZDIAJXOGD-JTQLQIEISA-N 1 0 263.362 3.313 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCC[C@@H]2C)c1 ZINC000230655325 623254755 /nfs/dbraw/zinc/25/47/55/623254755.db2.gz SWAYNSFILRXIKY-RWMBFGLXSA-N 1 0 263.381 3.488 20 10 CGCDRO CC[C@@H](C)C[C@H](C)[NH2+]Cc1cc(OC)ccc1O ZINC000088293924 623426890 /nfs/dbraw/zinc/42/68/90/623426890.db2.gz DJNLKEYFQMWATK-NEPJUHHUSA-N 1 0 251.370 3.315 20 10 CGCDRO Clc1ccc(C[NH2+]Cc2ccc3c(c2)CCCO3)cn1 ZINC000921553201 625668174 /nfs/dbraw/zinc/66/81/74/625668174.db2.gz RGMDXNYSYQSACW-UHFFFAOYSA-N 1 0 288.778 3.350 20 10 CGCDRO CC(C)[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)CS1 ZINC000754119491 623811343 /nfs/dbraw/zinc/81/13/43/623811343.db2.gz CMAACCRSFBYVBK-GOEBONIOSA-N 1 0 277.433 3.241 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H](C2CC2)C2CCC2)cc1 ZINC000324678330 624159775 /nfs/dbraw/zinc/15/97/75/624159775.db2.gz MZGCTDFWQORNOJ-QGZVFWFLSA-N 1 0 258.409 3.421 20 10 CGCDRO CC(C)OCC[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000917074230 624233093 /nfs/dbraw/zinc/23/30/93/624233093.db2.gz VAGQOJDOYOPAEB-UHFFFAOYSA-N 1 0 276.424 3.142 20 10 CGCDRO C[C@@H]1Cc2cc(C[NH2+]Cc3ccc(N(C)C)cc3)ccc2O1 ZINC000921496721 624634566 /nfs/dbraw/zinc/63/45/66/624634566.db2.gz YZHSXVRMSUZQCL-CQSZACIVSA-N 1 0 296.414 3.366 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CCCOC(F)F)cc1 ZINC000193666363 624653875 /nfs/dbraw/zinc/65/38/75/624653875.db2.gz WEGURTBABWALDA-UHFFFAOYSA-N 1 0 286.366 3.252 20 10 CGCDRO COc1ccc(O)c(C[N@H+](CCC(C)C)C2CC2)c1 ZINC000179678268 624674886 /nfs/dbraw/zinc/67/48/86/624674886.db2.gz FNONQDSRXXOWMP-UHFFFAOYSA-N 1 0 263.381 3.411 20 10 CGCDRO CC[N@H+](Cc1cc(OC)ccc1O)[C@H](C)C(C)C ZINC000179885700 624694810 /nfs/dbraw/zinc/69/48/10/624694810.db2.gz RGEDTBBVXBTCMI-GFCCVEGCSA-N 1 0 251.370 3.267 20 10 CGCDRO COc1cccc(C[N@@H+]2C[C@H](C)[C@H]3CCCC[C@@H]32)c1O ZINC000180765234 624771375 /nfs/dbraw/zinc/77/13/75/624771375.db2.gz IKNXBNLLDLGTSI-CFVMTHIKSA-N 1 0 275.392 3.411 20 10 CGCDRO COc1cccc(C[NH2+][C@@H]2CC[C@H](C)C[C@H]2C)c1O ZINC000070110698 624956596 /nfs/dbraw/zinc/95/65/96/624956596.db2.gz CRDVBMHOJCRZKO-OUCADQQQSA-N 1 0 263.381 3.315 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C2C[C@H](C)O[C@@H](C)C2)c1 ZINC000182336174 624986189 /nfs/dbraw/zinc/98/61/89/624986189.db2.gz USFVGJUQECMSND-SRVKXCTJSA-N 1 0 279.380 3.007 20 10 CGCDRO CC[C@@H]([NH2+]CCCOCC(F)(F)F)c1ccccc1O ZINC000183322700 625063900 /nfs/dbraw/zinc/06/39/00/625063900.db2.gz WYABVRBXMLHPPZ-GFCCVEGCSA-N 1 0 291.313 3.402 20 10 CGCDRO Cc1ncsc1C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000071212839 625065481 /nfs/dbraw/zinc/06/54/81/625065481.db2.gz KSWWUOFJOPEQTL-NSHDSACASA-N 1 0 275.421 3.368 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)c1cc(OC)ccc1O)[C@H]1CCCO1 ZINC000186181930 625733874 /nfs/dbraw/zinc/73/38/74/625733874.db2.gz WOLBRXOXONBKMM-HZUKXOBISA-N 1 0 279.380 3.009 20 10 CGCDRO COc1ccc(O)c(C[NH2+]Cc2ccc3c(c2)CCCO3)c1 ZINC000921741163 625859543 /nfs/dbraw/zinc/85/95/43/625859543.db2.gz SRZIULYNNSFKON-UHFFFAOYSA-N 1 0 299.370 3.016 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)[C@@H](O)c1ccccc1 ZINC000922136430 625971830 /nfs/dbraw/zinc/97/18/30/625971830.db2.gz WQZQWOALXQJILN-IFXJQAMLSA-N 1 0 297.398 3.223 20 10 CGCDRO CCO[C@@H]1CCC[C@@H]([NH2+]Cc2cc(C)ccc2O)C1 ZINC000922285659 625993297 /nfs/dbraw/zinc/99/32/97/625993297.db2.gz OAOAKNYUOGRKTC-HUUCEWRRSA-N 1 0 263.381 3.138 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2nccc3c2CCCC3)c1 ZINC000922284370 625993343 /nfs/dbraw/zinc/99/33/43/625993343.db2.gz BKMJPONMIXZSGY-UHFFFAOYSA-N 1 0 282.387 3.264 20 10 CGCDRO COc1cccc(O)c1C[NH2+]CC1C[C@H]2CC[C@@H](C1)S2 ZINC000922422512 626004314 /nfs/dbraw/zinc/00/43/14/626004314.db2.gz LUUWAKRCVYWLTH-YHWZYXNKSA-N 1 0 293.432 3.165 20 10 CGCDRO CC(C)(/C=C/Cl)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000922649034 626025343 /nfs/dbraw/zinc/02/53/43/626025343.db2.gz BKBWVYRMINMRIJ-BQYQJAHWSA-N 1 0 294.826 3.144 20 10 CGCDRO COc1cccc(C[N@@H+]2CC[C@H](Cc3ccccc3)C2)c1O ZINC000155094838 626025918 /nfs/dbraw/zinc/02/59/18/626025918.db2.gz QRKQOLOMXDIEGY-MRXNPFEDSA-N 1 0 297.398 3.465 20 10 CGCDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)CCS1 ZINC000922841875 626055621 /nfs/dbraw/zinc/05/56/21/626055621.db2.gz DRFTWNQEXVEZMD-JSGCOSHPSA-N 1 0 264.438 3.126 20 10 CGCDRO COC[C@H]([NH2+][C@@H](C)c1ccc(C)cc1O)C(C)C ZINC000086696190 626084857 /nfs/dbraw/zinc/08/48/57/626084857.db2.gz RDJRIRZQNULUJB-JSGCOSHPSA-N 1 0 251.370 3.022 20 10 CGCDRO CC1(C)C[C@@H](C[NH2+]Cc2cc(F)cc(F)c2[O-])C(C)(C)O1 ZINC000922949488 626106297 /nfs/dbraw/zinc/10/62/97/626106297.db2.gz ZWKVVWWSEQRPHI-NSHDSACASA-N 1 0 299.361 3.354 20 10 CGCDRO COc1ccc(N2CCC[N@H+](CC3(C)CCC3)CC2)cc1 ZINC000774854510 626181320 /nfs/dbraw/zinc/18/13/20/626181320.db2.gz VVLZLHWIAZEWPI-UHFFFAOYSA-N 1 0 288.435 3.398 20 10 CGCDRO Cc1cccc(C[NH+]2CC(C)(CC(F)(F)F)C2)c1O ZINC000839145717 626317034 /nfs/dbraw/zinc/31/70/34/626317034.db2.gz SNOZYNCLDPXFMO-UHFFFAOYSA-N 1 0 273.298 3.475 20 10 CGCDRO Oc1c(C[NH+]2CC(C(F)F)C2)ccc2ccccc21 ZINC000839140145 626322582 /nfs/dbraw/zinc/32/25/82/626322582.db2.gz AGTKMVVVHRIIOZ-UHFFFAOYSA-N 1 0 263.287 3.242 20 10 CGCDRO CCN(CC)c1ccc(CNCc2cnc(C)o2)cc1F ZINC000839170659 626325067 /nfs/dbraw/zinc/32/50/67/626325067.db2.gz QZLKUQPRQPOOHR-UHFFFAOYSA-N 1 0 291.370 3.258 20 10 CGCDRO C[C@H]1C[N@H+](Cc2cc(F)ccc2O)CC(C)(C)C1 ZINC000753576848 626456203 /nfs/dbraw/zinc/45/62/03/626456203.db2.gz VGOQTDJADNGHCS-LLVKDONJSA-N 1 0 251.345 3.399 20 10 CGCDRO C[C@@H]1CSCC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000754157159 626561468 /nfs/dbraw/zinc/56/14/68/626561468.db2.gz ZYQXEZBGPFQEPX-LBPRGKRZSA-N 1 0 282.428 3.077 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CC[C@H](c3ccco3)C2)c1O ZINC000754725990 626585113 /nfs/dbraw/zinc/58/51/13/626585113.db2.gz IYLXHEWMRLNOSW-ZDUSSCGKSA-N 1 0 287.359 3.292 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]CC(C)(C)N(C)C)c2c1c(F)ccc2O ZINC000756345621 626693766 /nfs/dbraw/zinc/69/37/66/626693766.db2.gz YXWYJQOKHSWHKW-ZYHUDNBSSA-N 1 0 280.387 3.009 20 10 CGCDRO C[C@H]1C[C@H]([NH2+]CC(C)(C)N(C)C)c2c1c(F)ccc2O ZINC000756345616 626694184 /nfs/dbraw/zinc/69/41/84/626694184.db2.gz YXWYJQOKHSWHKW-JQWIXIFHSA-N 1 0 280.387 3.009 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]CCc2cccnc2)c2c1c(F)ccc2O ZINC000756397588 626700867 /nfs/dbraw/zinc/70/08/67/626700867.db2.gz VULMZWKKHOKQAM-BXUZGUMPSA-N 1 0 286.350 3.307 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1ccn(C)n1 ZINC000756403593 626702191 /nfs/dbraw/zinc/70/21/91/626702191.db2.gz QDADBMKECACLLC-QGZVFWFLSA-N 1 0 298.434 3.261 20 10 CGCDRO C[C@H]([NH2+]C[C@@]1(C)CCOC1)c1cc2c(cc1O)CCCC2 ZINC000756574553 626716710 /nfs/dbraw/zinc/71/67/10/626716710.db2.gz NBFLHPYSCBTAKG-SCLBCKFNSA-N 1 0 289.419 3.348 20 10 CGCDRO CC[C@H](COC)[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756591285 626718750 /nfs/dbraw/zinc/71/87/50/626718750.db2.gz FDTTTWNPHAYDRA-HOSYDEDBSA-N 1 0 267.344 3.094 20 10 CGCDRO CCc1cc(C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)on1 ZINC000756604033 626719860 /nfs/dbraw/zinc/71/98/60/626719860.db2.gz CPUFTIAWMSXJMU-RNCFNFMXSA-N 1 0 290.338 3.420 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCN(C)[C@@H](C)C1)c1cc(Cl)ccc1O ZINC000756608885 626720633 /nfs/dbraw/zinc/72/06/33/626720633.db2.gz DYPUQCGZAGXFTL-GVXVVHGQSA-N 1 0 282.815 3.179 20 10 CGCDRO C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](CO)CC2)c2c1c(F)ccc2O ZINC000756644463 626724235 /nfs/dbraw/zinc/72/42/35/626724235.db2.gz ARQYGEGDEDQFPL-CIQGVGRVSA-N 1 0 293.382 3.220 20 10 CGCDRO CCn1cc(C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)cn1 ZINC000756732706 626728099 /nfs/dbraw/zinc/72/80/99/626728099.db2.gz JWMXXZZMXCPZAA-GXFFZTMASA-N 1 0 289.354 3.086 20 10 CGCDRO C[C@@H]([NH2+]CC1(CCO)CCC1)c1cc(Cl)ccc1O ZINC000756765109 626730068 /nfs/dbraw/zinc/73/00/68/626730068.db2.gz OGKAXPKBIOKDPE-LLVKDONJSA-N 1 0 283.799 3.249 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+][C@H](CO)CC(C)(C)C)c2c1c(F)ccc2O ZINC000756763307 626730204 /nfs/dbraw/zinc/73/02/04/626730204.db2.gz ZCMBSLYRPLQYOU-MDZLAQPJSA-N 1 0 295.398 3.466 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2C[C@H](O)C[C@H]2c2ccccc2)cc1 ZINC000839634638 626768960 /nfs/dbraw/zinc/76/89/60/626768960.db2.gz DYRIBXGMUKXECD-MOPGFXCFSA-N 1 0 296.414 3.061 20 10 CGCDRO CO[C@](C)([C@H](C)[NH2+]Cc1ccc(N(C)C)c(C)c1)C1CC1 ZINC000839643745 626774318 /nfs/dbraw/zinc/77/43/18/626774318.db2.gz SIFYYNWYOVPJTP-KBXCAEBGSA-N 1 0 290.451 3.354 20 10 CGCDRO C[C@H](C[C@H](C)O)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000757659085 626798283 /nfs/dbraw/zinc/79/82/83/626798283.db2.gz YHZLITVQFYWJSW-AGIUHOORSA-N 1 0 277.408 3.081 20 10 CGCDRO COc1cccc(C[NH2+][C@@H](c2cccnc2)C2CC2)c1O ZINC000758633665 626851824 /nfs/dbraw/zinc/85/18/24/626851824.db2.gz XDJFITGEDJTAEC-MRXNPFEDSA-N 1 0 284.359 3.037 20 10 CGCDRO CCCN(CCC)c1ccc(C[N@H+](C)[C@H](C)CO)cc1 ZINC000809745770 626980856 /nfs/dbraw/zinc/98/08/56/626980856.db2.gz MLOWXHNSMADAQK-OAHLLOKOSA-N 1 0 278.440 3.126 20 10 CGCDRO CO[C@@H]1[C@H](C)[C@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)C1(C)C ZINC000761197749 627024319 /nfs/dbraw/zinc/02/43/19/627024319.db2.gz CQGHDCNXFHYBMN-XFBWCDHKSA-N 1 0 294.414 3.041 20 10 CGCDRO CCOc1cccc(C[N@H+](CC)CCC2CC2)c1O ZINC000761226939 627026790 /nfs/dbraw/zinc/02/67/90/627026790.db2.gz XMJGJVZCUAIREH-UHFFFAOYSA-N 1 0 263.381 3.413 20 10 CGCDRO Cc1ccc(C(C)(C)[NH2+]Cc2cccc(C)c2O)cn1 ZINC000761224930 627026917 /nfs/dbraw/zinc/02/69/17/627026917.db2.gz CPTSBUDWTWHXAQ-UHFFFAOYSA-N 1 0 270.376 3.429 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CC3(CCC3)C[C@H]2C)c1O ZINC000762145045 627095281 /nfs/dbraw/zinc/09/52/81/627095281.db2.gz SFORZZPGMZKNNB-CYBMUJFWSA-N 1 0 275.392 3.474 20 10 CGCDRO C[C@@H]([NH2+]CCC1CC(O)C1)c1ccc2ccccc2c1O ZINC000762652172 627119005 /nfs/dbraw/zinc/11/90/05/627119005.db2.gz WIMWEZJJDXQSCC-DNOWBOINSA-N 1 0 285.387 3.357 20 10 CGCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H](C3CC3)C1)CCC2 ZINC000763332444 627152117 /nfs/dbraw/zinc/15/21/17/627152117.db2.gz MELJDABGIXAIBH-HNNXBMFYSA-N 1 0 257.377 3.113 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCC(F)(F)C2)cc1F ZINC000763524134 627163564 /nfs/dbraw/zinc/16/35/64/627163564.db2.gz XVOQUQVEANPQJA-LLVKDONJSA-N 1 0 272.314 3.169 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCOCC2CCC2)c(O)c1C ZINC000765809278 627272160 /nfs/dbraw/zinc/27/21/60/627272160.db2.gz LJFZIFIRCHMNCN-CQSZACIVSA-N 1 0 277.408 3.476 20 10 CGCDRO CC[C@H](C[C@@H](C)CO)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000766362005 627323559 /nfs/dbraw/zinc/32/35/59/627323559.db2.gz ZPUZLIJVHBXRSS-IIAWOOMASA-N 1 0 278.440 3.200 20 10 CGCDRO CC[C@@H]([NH2+]CCN1CC[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000766380363 627325334 /nfs/dbraw/zinc/32/53/34/627325334.db2.gz CWQCFFZELBVPEO-CRAIPNDOSA-N 1 0 289.467 3.135 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(F)cn1)c1ccc(N(C)C)cc1 ZINC000766608916 627347220 /nfs/dbraw/zinc/34/72/20/627347220.db2.gz UTIMTJIRPKKEBZ-LBPRGKRZSA-N 1 0 273.355 3.138 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)c1 ZINC000767371200 627402493 /nfs/dbraw/zinc/40/24/93/627402493.db2.gz KQPLAPWKBPDYSE-RHSMWYFYSA-N 1 0 283.371 3.294 20 10 CGCDRO Cc1ccc(O)c(C[N@H+](C)Cc2ccc3c(c2)OCCO3)c1 ZINC000768183142 627466361 /nfs/dbraw/zinc/46/63/61/627466361.db2.gz MMPNGLFMJSLAGO-UHFFFAOYSA-N 1 0 299.370 3.104 20 10 CGCDRO CCC[C@@H](C)[N@H+](C)Cc1cc(OC)c(OC)cc1O ZINC000768439068 627479651 /nfs/dbraw/zinc/47/96/51/627479651.db2.gz GBKWWKRZMJEKOU-LLVKDONJSA-N 1 0 267.369 3.030 20 10 CGCDRO CCCC[NH+](CCCC)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768438553 627480118 /nfs/dbraw/zinc/48/01/18/627480118.db2.gz BQHPNWWTBOAJDJ-INIZCTEOSA-N 1 0 293.407 3.220 20 10 CGCDRO COc1cc(C[N@H+](C)[C@@H](C)C(C)C)c(O)cc1C ZINC000768439856 627480131 /nfs/dbraw/zinc/48/01/31/627480131.db2.gz NWKBBQNNKSPCHG-LBPRGKRZSA-N 1 0 251.370 3.186 20 10 CGCDRO COc1cc(C[N@@H+]2CCC[C@H]2C2CC2)c(O)cc1C ZINC000768453371 627480768 /nfs/dbraw/zinc/48/07/68/627480768.db2.gz WELFCKBOROHTCP-AWEZNQCLSA-N 1 0 261.365 3.084 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000769311670 627539554 /nfs/dbraw/zinc/53/95/54/627539554.db2.gz NWLMOHQTYYGZDS-AWEZNQCLSA-N 1 0 291.782 3.079 20 10 CGCDRO CCOc1ccc(C[N@H+](CCCO)CC(C)(C)C)c(O)c1 ZINC000769344261 627544237 /nfs/dbraw/zinc/54/42/37/627544237.db2.gz WTBAOEZOUGTAOK-UHFFFAOYSA-N 1 0 295.423 3.021 20 10 CGCDRO CCOc1ccc(C[N@H+](C)C2CCC(OC)CC2)c(O)c1 ZINC000769424427 627550990 /nfs/dbraw/zinc/55/09/90/627550990.db2.gz AFYDQJOFDHJDBW-UHFFFAOYSA-N 1 0 293.407 3.180 20 10 CGCDRO C[C@H]1SCC[N@H+](Cc2ccc(N(C)C)c(F)c2)[C@H]1C ZINC000769446242 627552995 /nfs/dbraw/zinc/55/29/95/627552995.db2.gz LAZWJSBXBOLHCV-NWDGAFQWSA-N 1 0 282.428 3.218 20 10 CGCDRO CC[C@H]1C[C@H](C)C[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000769448550 627553720 /nfs/dbraw/zinc/55/37/20/627553720.db2.gz ULERGGPDSMODHS-RDJZCZTQSA-N 1 0 288.435 3.144 20 10 CGCDRO CC[C@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)CCS1 ZINC000769447875 627553831 /nfs/dbraw/zinc/55/38/31/627553831.db2.gz ZGZXXXHETSCBLZ-ZDUSSCGKSA-N 1 0 282.428 3.219 20 10 CGCDRO C[C@@H]1C[C@H](C)C[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000769470726 627557579 /nfs/dbraw/zinc/55/75/79/627557579.db2.gz OGOOKDCQRZUCNG-NWDGAFQWSA-N 1 0 250.361 3.122 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CC[C@@](C)(CC)C2)c(O)c1 ZINC000769519724 627562295 /nfs/dbraw/zinc/56/22/95/627562295.db2.gz ZZBDTYQGJQTPAP-MRXNPFEDSA-N 1 0 263.381 3.413 20 10 CGCDRO C/C=C\C[C@@H](CO)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000769938256 627590929 /nfs/dbraw/zinc/59/09/29/627590929.db2.gz VXKSGSNMQARGND-KVLZDYKBSA-N 1 0 297.398 3.476 20 10 CGCDRO C[C@@H]([NH2+][C@@H](CO)c1ccsc1)c1cc(Cl)ccc1O ZINC000769986020 627594909 /nfs/dbraw/zinc/59/49/09/627594909.db2.gz GIULRFJTTKKONB-RNCFNFMXSA-N 1 0 297.807 3.491 20 10 CGCDRO CC(C)CO[C@@H]1CC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000770329806 627613823 /nfs/dbraw/zinc/61/38/23/627613823.db2.gz SNWDPKNHFKBOLP-OAHLLOKOSA-N 1 0 294.414 3.139 20 10 CGCDRO CC[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)ccc2O)C[C@@H]1O ZINC000770381254 627616387 /nfs/dbraw/zinc/61/63/87/627616387.db2.gz ORGSIGGZKGJXDE-KUHUBIRLSA-N 1 0 297.398 3.262 20 10 CGCDRO COc1ccc(N2CCC([NH2+][C@H](C)c3ccc[nH]3)CC2)cc1 ZINC000773115669 627857477 /nfs/dbraw/zinc/85/74/77/627857477.db2.gz GYKHSGUVKUFUKB-CQSZACIVSA-N 1 0 299.418 3.343 20 10 CGCDRO CC[C@H](CSC)[N@H+](C)Cc1cc2c(cc1O)CCC2 ZINC000773254329 627869957 /nfs/dbraw/zinc/86/99/57/627869957.db2.gz GOSPHNIYLVVRMK-OAHLLOKOSA-N 1 0 279.449 3.454 20 10 CGCDRO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(N(C)CC)cc1 ZINC000773730730 627908868 /nfs/dbraw/zinc/90/88/68/627908868.db2.gz PZJDMDSEUVNKMS-GOEBONIOSA-N 1 0 276.424 3.142 20 10 CGCDRO CCN(C)c1ccc(C[N@H+](CCCO)CC(C)(C)C)cc1 ZINC000773755355 627911499 /nfs/dbraw/zinc/91/14/99/627911499.db2.gz HTXWJHSNQADXSQ-UHFFFAOYSA-N 1 0 292.467 3.373 20 10 CGCDRO CC[C@H]([NH2+]C[C@H]1CCCCN1C1CC1)c1ccccc1O ZINC000774379094 627983955 /nfs/dbraw/zinc/98/39/55/627983955.db2.gz NMMGQPIBVLJDHB-WBVHZDCISA-N 1 0 288.435 3.450 20 10 CGCDRO C[C@H]([NH2+]C[C@H](O)c1cccc(Cl)c1)c1ccccc1O ZINC000775130461 628066173 /nfs/dbraw/zinc/06/61/73/628066173.db2.gz LOJUEIHRKWBXDK-ZBEGNZNMSA-N 1 0 291.778 3.430 20 10 CGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@@H](C)C[C@H]1CCOC1 ZINC000775139731 628067119 /nfs/dbraw/zinc/06/71/19/628067119.db2.gz GDCFHZWQHBZEKK-GOEBONIOSA-N 1 0 276.424 3.177 20 10 CGCDRO CC[C@H]([NH2+][C@@H](CCO)C(C)C)c1cc(Cl)ccc1O ZINC000775507767 628102103 /nfs/dbraw/zinc/10/21/03/628102103.db2.gz DYHOQSPDPOGVAW-KBPBESRZSA-N 1 0 285.815 3.493 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](C)Cc1ccncc1)c1ccccc1O ZINC000775511357 628102528 /nfs/dbraw/zinc/10/25/28/628102528.db2.gz DWLHMMYQGASQCW-XJKSGUPXSA-N 1 0 270.376 3.459 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CCc3c(F)cccc3C2)c1 ZINC000775689445 628126394 /nfs/dbraw/zinc/12/63/94/628126394.db2.gz JAZMJTWROMDYOD-UHFFFAOYSA-N 1 0 287.334 3.098 20 10 CGCDRO COc1cccc2c1OCC[C@H]2[NH2+]Cc1cccc(C)c1O ZINC000776175306 628176451 /nfs/dbraw/zinc/17/64/51/628176451.db2.gz KTXNCHVREUZCQI-OAHLLOKOSA-N 1 0 299.370 3.323 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CC[C@H]3CCC[C@H]3C2)c1 ZINC000776175328 628176877 /nfs/dbraw/zinc/17/68/77/628176877.db2.gz PITMXSTWOVFZJQ-VNHYZAJKSA-N 1 0 275.392 3.459 20 10 CGCDRO CC(C)C[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)CCO1 ZINC000776948033 628240641 /nfs/dbraw/zinc/24/06/41/628240641.db2.gz BQPMBAMEVOMDJF-IRXDYDNUSA-N 1 0 289.419 3.305 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2C2CCOCC2)cc1 ZINC000777439491 628270308 /nfs/dbraw/zinc/27/03/08/628270308.db2.gz IJUKYRFYSXYDGN-GOSISDBHSA-N 1 0 288.435 3.144 20 10 CGCDRO Oc1cccc(Cl)c1C[N@@H+]1CCC[C@H]1C1CCOCC1 ZINC000777440153 628271012 /nfs/dbraw/zinc/27/10/12/628271012.db2.gz VPSNNQVXDANZBS-HNNXBMFYSA-N 1 0 295.810 3.437 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)CCC3)C[C@@H]1F ZINC000777970062 628317243 /nfs/dbraw/zinc/31/72/43/628317243.db2.gz VAHMDRQWQSBIFY-ABAIWWIYSA-N 1 0 263.356 3.061 20 10 CGCDRO COCC1(C)CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000779605846 628418007 /nfs/dbraw/zinc/41/80/07/628418007.db2.gz HZLSCFBQDUHQBF-UHFFFAOYSA-N 1 0 283.799 3.294 20 10 CGCDRO CC[NH+](CC)CCSc1ncc(Cl)s1 ZINC000780911277 628523461 /nfs/dbraw/zinc/52/34/61/628523461.db2.gz LDMNRTWYFMSZFB-UHFFFAOYSA-N 1 0 250.820 3.230 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1ccccc1O ZINC000783516486 628719831 /nfs/dbraw/zinc/71/98/31/628719831.db2.gz CIIXTMVVMMVUCA-STQMWFEESA-N 1 0 261.365 3.145 20 10 CGCDRO C[C@@H]1COc2ccccc2C[N@@H+]1Cc1ccccc1O ZINC000783596792 628730542 /nfs/dbraw/zinc/73/05/42/628730542.db2.gz IGQHEYYOKKRODX-CYBMUJFWSA-N 1 0 269.344 3.175 20 10 CGCDRO CS[C@@H](C[NH2+]Cc1ccccc1O)C(C)(C)C ZINC000784625497 628825814 /nfs/dbraw/zinc/82/58/14/628825814.db2.gz FXMRGKUEOIUCTB-ZDUSSCGKSA-N 1 0 253.411 3.260 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](C)OC)c1cc(Cl)ccc1O ZINC000785573128 628871963 /nfs/dbraw/zinc/87/19/63/628871963.db2.gz NRIBKEPLQPFBIJ-SKDRFNHKSA-N 1 0 257.761 3.121 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]Cc1cccc2cc[nH]c21 ZINC000786580208 628949619 /nfs/dbraw/zinc/94/96/19/628949619.db2.gz YLGJIWOKSRFSRV-UHFFFAOYSA-N 1 0 270.307 3.302 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cn2ccccc2n1 ZINC000788502180 629059969 /nfs/dbraw/zinc/05/99/69/629059969.db2.gz HCJGBBPEWVOURX-AWEZNQCLSA-N 1 0 294.402 3.251 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](O)CC(C)(C)C)c(O)c1 ZINC000788606163 629068653 /nfs/dbraw/zinc/06/86/53/629068653.db2.gz YNYJCQIKVKODJL-KBPBESRZSA-N 1 0 279.424 3.457 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2cccnc2F)c(O)c1 ZINC000788806709 629083177 /nfs/dbraw/zinc/08/31/77/629083177.db2.gz PXLDCRZVCZSQJK-GFCCVEGCSA-N 1 0 274.339 3.394 20 10 CGCDRO C[C@H]1CCSCC[N@@H+]1Cc1cc2c(cc1O)CCC2 ZINC000790476329 629212484 /nfs/dbraw/zinc/21/24/84/629212484.db2.gz DQESAEDJIRQGAL-LBPRGKRZSA-N 1 0 277.433 3.208 20 10 CGCDRO CC(C)(C[NH2+]Cc1cccc(Cl)c1[O-])C[NH+]1CCCC1 ZINC000792197595 629348741 /nfs/dbraw/zinc/34/87/41/629348741.db2.gz YZBMXQBSUSTWFV-UHFFFAOYSA-N 1 0 296.842 3.257 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)cc1C ZINC000862473456 629383640 /nfs/dbraw/zinc/38/36/40/629383640.db2.gz RHJMQRKJPFWHCO-CABCVRRESA-N 1 0 277.433 3.479 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)CC2(C)COC2)cc1F ZINC000862477639 629384314 /nfs/dbraw/zinc/38/43/14/629384314.db2.gz OYRZLBPPAYHOQZ-UHFFFAOYSA-N 1 0 294.414 3.140 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]CCCc2ccc(C)nc2)c1 ZINC000862478818 629384931 /nfs/dbraw/zinc/38/49/31/629384931.db2.gz RKFJYGXVONUKCY-UHFFFAOYSA-N 1 0 270.376 3.126 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)cc1Cl ZINC000862529539 629390956 /nfs/dbraw/zinc/39/09/56/629390956.db2.gz MMPQFUIRHVUDMI-IUODEOHRSA-N 1 0 281.783 3.011 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CC2CC2)c(C(F)(F)F)c1 ZINC000792909511 629393012 /nfs/dbraw/zinc/39/30/12/629393012.db2.gz WORNCQBXSIAQCT-UHFFFAOYSA-N 1 0 272.314 3.271 20 10 CGCDRO COc1ccc(C[NH2+]Cc2cc(Cl)ccc2F)c(O)c1 ZINC000793389431 629453226 /nfs/dbraw/zinc/45/32/26/629453226.db2.gz YFWWHPINRAZLFC-UHFFFAOYSA-N 1 0 295.741 3.483 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCc2ccc3c[nH]nc3c2)c(O)c1 ZINC000793569395 629485640 /nfs/dbraw/zinc/48/56/40/629485640.db2.gz NQVASEPYLFTKDQ-ZDUSSCGKSA-N 1 0 295.386 3.470 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCO[C@@H](CCF)C2)cc1C(C)C ZINC000863316206 629531356 /nfs/dbraw/zinc/53/13/56/629531356.db2.gz LFKHNQAFTPVXHT-HNNXBMFYSA-N 1 0 295.398 3.384 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)CN(CC)CC)c1ccc(C)cc1O ZINC000794806387 629580149 /nfs/dbraw/zinc/58/01/49/629580149.db2.gz IDHPYLDEYNLFCC-HOCLYGCPSA-N 1 0 278.440 3.472 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)N[C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000863541926 629602068 /nfs/dbraw/zinc/60/20/68/629602068.db2.gz NBDQBRGQLLSOKX-RHSMWYFYSA-N 1 0 287.451 3.078 20 10 CGCDRO C[C@@H](N[C@H]1CC[C@@H](C)[NH2+]C1)c1ccc2ccccc2c1O ZINC000863548493 629603767 /nfs/dbraw/zinc/60/37/67/629603767.db2.gz YERJXLNACHMJSG-NFAWXSAZSA-N 1 0 284.403 3.337 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H](C2CCC2)[C@H]2CCOC2)c1O ZINC000864055463 629750767 /nfs/dbraw/zinc/75/07/67/629750767.db2.gz QAUWIAFOJCRBAY-IRXDYDNUSA-N 1 0 289.419 3.249 20 10 CGCDRO Oc1ccccc1C[N@H+](Cc1cnc[nH]1)C1CCCCC1 ZINC000796441695 629781312 /nfs/dbraw/zinc/78/13/12/629781312.db2.gz CMBYLOIHLJKHSR-UHFFFAOYSA-N 1 0 285.391 3.450 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2CCOC[C@@H]2C)cc1 ZINC000796497244 629789996 /nfs/dbraw/zinc/78/99/96/629789996.db2.gz HJEOSTZXGPNUNA-RDJZCZTQSA-N 1 0 290.451 3.295 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](C)C[NH+]1CCCC1)c1ccc(F)cc1[O-] ZINC000796693790 629816055 /nfs/dbraw/zinc/81/60/55/629816055.db2.gz JGKZOBNLFUMFCJ-CJNGLKHVSA-N 1 0 294.414 3.304 20 10 CGCDRO COc1cccc(O)c1C[NH2+]CCc1ccc2[nH]ccc2c1 ZINC000799349760 630173614 /nfs/dbraw/zinc/17/36/14/630173614.db2.gz JXDRBISZXNCRGU-UHFFFAOYSA-N 1 0 296.370 3.214 20 10 CGCDRO CCOC[C@H](C)[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808716481 630300810 /nfs/dbraw/zinc/30/08/10/630300810.db2.gz XMFKVGZBVQUZRS-WDEREUQCSA-N 1 0 271.788 3.430 20 10 CGCDRO CCCC[N@H+](CCCOCC)Cc1ccccc1O ZINC000801595124 630346316 /nfs/dbraw/zinc/34/63/16/630346316.db2.gz IRRMPLOLLCTFKD-UHFFFAOYSA-N 1 0 265.397 3.421 20 10 CGCDRO CCCC[N@H+](Cc1cc(C)n(C)n1)Cc1ccccc1O ZINC000801596526 630346489 /nfs/dbraw/zinc/34/64/89/630346489.db2.gz DEEIJTCYRMHISB-UHFFFAOYSA-N 1 0 287.407 3.236 20 10 CGCDRO CCCC[N@@H+](Cc1ccccc1O)C[C@@H](C)OC ZINC000801595316 630346725 /nfs/dbraw/zinc/34/67/25/630346725.db2.gz LTQKBIXOGVLCRT-CYBMUJFWSA-N 1 0 251.370 3.029 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]CCC2C[C@H](C)O[C@@H](C)C2)c1 ZINC000801732356 630353520 /nfs/dbraw/zinc/35/35/20/630353520.db2.gz HRHKGPVAYLNNNA-KBPBESRZSA-N 1 0 277.408 3.384 20 10 CGCDRO CCCC[N@H+](Cc1ccccc1O)CC1(F)CC1 ZINC000802657424 630403013 /nfs/dbraw/zinc/40/30/13/630403013.db2.gz CXNXPJKEWBYWDZ-UHFFFAOYSA-N 1 0 251.345 3.496 20 10 CGCDRO COc1cc(O)c(C[NH2+][C@H](C)c2ccsc2)cc1OC ZINC000802655086 630403244 /nfs/dbraw/zinc/40/32/44/630403244.db2.gz PNEADIISWPTHSR-SNVBAGLBSA-N 1 0 293.388 3.322 20 10 CGCDRO Cc1cccc(C[NH2+]CC[C@@H]2C[C@@H](C)O[C@@H](C)C2)c1O ZINC000802659473 630404023 /nfs/dbraw/zinc/40/40/23/630404023.db2.gz HDSIUGBLRGDCIJ-QDMKHBRRSA-N 1 0 277.408 3.384 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](CO)C(C)C)c1ccc(N(C)C)cc1 ZINC000806170174 630553154 /nfs/dbraw/zinc/55/31/54/630553154.db2.gz WNWPTNVGMUEOSE-RDJZCZTQSA-N 1 0 278.440 3.058 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](F)C2)cc1C(C)C ZINC000840105105 630595299 /nfs/dbraw/zinc/59/52/99/630595299.db2.gz OLKSNBKKGYTPFX-CYBMUJFWSA-N 1 0 251.345 3.368 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]CCC2(F)CCC2)c1 ZINC000808428523 630643819 /nfs/dbraw/zinc/64/38/19/630643819.db2.gz FNPABQKOYBGRIA-UHFFFAOYSA-N 1 0 267.344 3.163 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@](C)(O)C2CC2)c1O ZINC000808694319 630665115 /nfs/dbraw/zinc/66/51/15/630665115.db2.gz BTKMNLKQFOTDBC-BONVTDFDSA-N 1 0 283.799 3.166 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](C)N(C)C2CC2)c1O ZINC000808693145 630665152 /nfs/dbraw/zinc/66/51/52/630665152.db2.gz VXHLKVVQEIOZBA-VXGBXAGGSA-N 1 0 296.842 3.487 20 10 CGCDRO CC[C@@H](CCO)C[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808702476 630667232 /nfs/dbraw/zinc/66/72/32/630667232.db2.gz XKODKVMKJYZKFP-NEPJUHHUSA-N 1 0 285.815 3.413 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](CO)CC2CC2)c1O ZINC000808709486 630668402 /nfs/dbraw/zinc/66/84/02/630668402.db2.gz WSTBDKZJKIRSGA-MFKMUULPSA-N 1 0 283.799 3.166 20 10 CGCDRO Cc1ccc([C@@H](O)[C@H](C)[NH2+]Cc2cc(F)ccc2O)cc1 ZINC000809701815 630785341 /nfs/dbraw/zinc/78/53/41/630785341.db2.gz LZFQRQYMWVAVCQ-SJCJKPOMSA-N 1 0 289.350 3.051 20 10 CGCDRO CCOc1cccc(C[N@H+](CC)Cc2ccncc2)c1O ZINC000809726571 630793806 /nfs/dbraw/zinc/79/38/06/630793806.db2.gz LAAIHPOCLLKUQO-UHFFFAOYSA-N 1 0 286.375 3.208 20 10 CGCDRO Oc1ccccc1C[NH+]1CCC(CCCn2ccnc2)CC1 ZINC000809750036 630799384 /nfs/dbraw/zinc/79/93/84/630799384.db2.gz VCNMAQNTGCPWSE-UHFFFAOYSA-N 1 0 299.418 3.281 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CCC[C@H](C3CC3)C2)c1O ZINC000809786890 630808889 /nfs/dbraw/zinc/80/88/89/630808889.db2.gz NVASPRDVEVUXPG-AWEZNQCLSA-N 1 0 275.392 3.413 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cncn1C)c1cc(Cl)ccc1O ZINC000810243373 630857750 /nfs/dbraw/zinc/85/77/50/630857750.db2.gz NSIQWTWVFFMNHT-CYBMUJFWSA-N 1 0 279.771 3.020 20 10 CGCDRO CC1(C)C[N@H+](Cc2c(O)cccc2Cl)[C@H]1[C@H]1CCCO1 ZINC000811511058 631080210 /nfs/dbraw/zinc/08/02/10/631080210.db2.gz SZEXZVHMRFKNJU-CABCVRRESA-N 1 0 295.810 3.435 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]Cc2c3c(nn2C)CCCC3)c(O)c1 ZINC000812738085 631300224 /nfs/dbraw/zinc/30/02/24/631300224.db2.gz WOLVRQVXPLMWQY-ZDUSSCGKSA-N 1 0 299.418 3.164 20 10 CGCDRO CC[N@@H+](Cc1cc(Cl)cc(C)c1O)C[C@H](C)OC ZINC000812807954 631316962 /nfs/dbraw/zinc/31/69/62/631316962.db2.gz ZXVVOEDPPXHBCM-NSHDSACASA-N 1 0 271.788 3.211 20 10 CGCDRO C[N@H+](Cc1cncc(C(F)(F)F)c1)Cc1ccccc1O ZINC000812829460 631321804 /nfs/dbraw/zinc/32/18/04/631321804.db2.gz FDLAZAROHZWWGG-UHFFFAOYSA-N 1 0 296.292 3.438 20 10 CGCDRO CCc1cc(C[N@@H+]2CCO[C@@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000813170605 631376566 /nfs/dbraw/zinc/37/65/66/631376566.db2.gz IURQCJQOOJDSQX-ZDUSSCGKSA-N 1 0 291.435 3.473 20 10 CGCDRO CCCCC[N@H+](CCO)Cc1ccc(N(C)C)c(C)c1 ZINC000815049406 631707428 /nfs/dbraw/zinc/70/74/28/631707428.db2.gz WZANEOWXFBNNFZ-UHFFFAOYSA-N 1 0 278.440 3.046 20 10 CGCDRO Cc1cc(C[N@@H+]2CCc3ccc(O)cc3C2)ccc1N(C)C ZINC000815070222 631711273 /nfs/dbraw/zinc/71/12/73/631711273.db2.gz RAWRKDZQZHAYQV-UHFFFAOYSA-N 1 0 296.414 3.325 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)c(C)c1)[C@H]1CCCO1 ZINC000815089008 631713932 /nfs/dbraw/zinc/71/39/32/631713932.db2.gz NDDUZNMKFKESTE-DOTOQJQBSA-N 1 0 276.424 3.108 20 10 CGCDRO C[C@H]([NH2+]CCC[NH+](C)C)c1cccc(C(F)(F)F)c1[O-] ZINC000815553088 631794524 /nfs/dbraw/zinc/79/45/24/631794524.db2.gz RHQDXRWBAKMFLD-JTQLQIEISA-N 1 0 290.329 3.013 20 10 CGCDRO CC[C@@H](C)N(C)CC[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000815574639 631798159 /nfs/dbraw/zinc/79/81/59/631798159.db2.gz XWQGDMCSRGGYEU-HUUCEWRRSA-N 1 0 278.440 3.390 20 10 CGCDRO CO[C@H](C[NH2+][C@@H](C)c1c(C)cc(C)cc1O)C(F)(F)F ZINC000815605128 631804679 /nfs/dbraw/zinc/80/46/79/631804679.db2.gz LVEXXHOPIVUBRX-CMPLNLGQSA-N 1 0 291.313 3.237 20 10 CGCDRO CC[N@@H+](Cc1ccc2ccccc2c1O)C[C@H]1CCOC1 ZINC000816487913 631992032 /nfs/dbraw/zinc/99/20/32/631992032.db2.gz BXYOBLNSTIMZJW-CQSZACIVSA-N 1 0 285.387 3.404 20 10 CGCDRO CN(Cc1ccon1)Cc1ccc2ccccc2c1O ZINC000816514404 632000165 /nfs/dbraw/zinc/00/01/65/632000165.db2.gz WXAKUNNLMLSXIU-UHFFFAOYSA-N 1 0 268.316 3.165 20 10 CGCDRO CO[C@H]1C[C@H]([NH2+]Cc2ccc3ccccc3c2O)C1(C)C ZINC000816554703 632010470 /nfs/dbraw/zinc/01/04/70/632010470.db2.gz HCODNJWVWBFXTD-HOTGVXAUSA-N 1 0 285.387 3.449 20 10 CGCDRO C[C@H]1C[C@H]([NH2+]Cc2ccc3ccccc3c2O)CCN1C ZINC000816554830 632010575 /nfs/dbraw/zinc/01/05/75/632010575.db2.gz JWHWPWLLWWVBAJ-XJKSGUPXSA-N 1 0 284.403 3.118 20 10 CGCDRO CC[NH+](CC)CCC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816561424 632013132 /nfs/dbraw/zinc/01/31/32/632013132.db2.gz XKNZJHXQQAMSOK-UHFFFAOYSA-N 1 0 288.794 3.006 20 10 CGCDRO CO[C@H]1C[N@H+](Cc2ccc3ccccc3c2O)CC[C@H]1C ZINC000816586421 632017619 /nfs/dbraw/zinc/01/76/19/632017619.db2.gz HMFZYTGAHDSWCQ-DYVFJYSZSA-N 1 0 285.387 3.402 20 10 CGCDRO Oc1c(C[NH+]2CC(C3CC3)C2)ccc2ccccc21 ZINC000816616493 632025540 /nfs/dbraw/zinc/02/55/40/632025540.db2.gz YFFFVADTCSBHOG-UHFFFAOYSA-N 1 0 253.345 3.387 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+]C[C@@]2(O)CCCC2(C)C)c1O ZINC000816641144 632030505 /nfs/dbraw/zinc/03/05/05/632030505.db2.gz JILLFEMGQKWQDW-INIZCTEOSA-N 1 0 297.826 3.385 20 10 CGCDRO CC(C)[C@@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)CCCO1 ZINC000816676216 632041514 /nfs/dbraw/zinc/04/15/14/632041514.db2.gz VWUAIGJUPQSACN-KRWDZBQOSA-N 1 0 294.414 3.139 20 10 CGCDRO Cc1cc(O)c(C[N@H+](C)C[C@@H]2CCCN2C)cc1C(C)C ZINC000817378669 632134937 /nfs/dbraw/zinc/13/49/37/632134937.db2.gz XUCPKCFANIWJJJ-INIZCTEOSA-N 1 0 290.451 3.350 20 10 CGCDRO Oc1ccccc1C[NH2+]C[C@@H]1CC12CCSCC2 ZINC000817409378 632141315 /nfs/dbraw/zinc/14/13/15/632141315.db2.gz AVIKSOUHOYEFGH-ZDUSSCGKSA-N 1 0 263.406 3.015 20 10 CGCDRO CCOc1cccc(C[NH2+]Cc2cc(C)nc(C)c2)c1O ZINC000817410097 632141399 /nfs/dbraw/zinc/14/13/99/632141399.db2.gz JHYXMMQQXROMGG-UHFFFAOYSA-N 1 0 286.375 3.093 20 10 CGCDRO CC[C@H]([NH2+]CCC[NH3+])c1ccc(Cl)c(Cl)c1[O-] ZINC000817938243 632237731 /nfs/dbraw/zinc/23/77/31/632237731.db2.gz HIKPJHIRCATXLD-JTQLQIEISA-N 1 0 277.195 3.089 20 10 CGCDRO C[C@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1cccs1 ZINC000817938319 632238799 /nfs/dbraw/zinc/23/87/99/632238799.db2.gz IZHYFGBKTFLFFD-SWLSCSKDSA-N 1 0 289.448 3.165 20 10 CGCDRO CC[C@H]([NH2+]CC1CC[NH2+]CC1)c1cccc(Cl)c1[O-] ZINC000817941395 632240703 /nfs/dbraw/zinc/24/07/03/632240703.db2.gz PPVRKOMWVMKBJT-AWEZNQCLSA-N 1 0 282.815 3.086 20 10 CGCDRO CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000817943343 632242533 /nfs/dbraw/zinc/24/25/33/632242533.db2.gz UOQDAEARPDPENY-OLMNPRSZSA-N 1 0 289.467 3.311 20 10 CGCDRO C[C@H](NC[C@@H]1CCCC[NH2+]1)c1cc2c(cc1O)CCCC2 ZINC000817949895 632246388 /nfs/dbraw/zinc/24/63/88/632246388.db2.gz OUWNPXKGBLDDKS-BBRMVZONSA-N 1 0 288.435 3.064 20 10 CGCDRO CC[C@H]([NH2+]C[C@H](N)c1ccccc1)c1ccc(C)cc1O ZINC000817954634 632249062 /nfs/dbraw/zinc/24/90/62/632249062.db2.gz FPJBRKWHKMGJBO-IRXDYDNUSA-N 1 0 284.403 3.441 20 10 CGCDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)c1cc(F)ccc1F ZINC000817956050 632251123 /nfs/dbraw/zinc/25/11/23/632251123.db2.gz OYQITXGWQZEICH-LLVKDONJSA-N 1 0 276.330 3.440 20 10 CGCDRO C[C@H]([NH2+]CCc1ccc(N)cc1)c1cc(F)ccc1F ZINC000817956051 632251245 /nfs/dbraw/zinc/25/12/45/632251245.db2.gz OYQITXGWQZEICH-NSHDSACASA-N 1 0 276.330 3.440 20 10 CGCDRO C[C@H]([NH2+]CCc1ccc(N)cc1)c1ccnc(Cl)c1 ZINC000817956293 632251307 /nfs/dbraw/zinc/25/13/07/632251307.db2.gz VUHSWGDSFARACH-NSHDSACASA-N 1 0 275.783 3.211 20 10 CGCDRO Nc1ccc(CC[NH2+][C@@H]2CCc3ccc(F)cc32)cc1 ZINC000817955993 632251331 /nfs/dbraw/zinc/25/13/31/632251331.db2.gz NDIZWQHYEPCFPK-QGZVFWFLSA-N 1 0 270.351 3.228 20 10 CGCDRO CCO[C@@H]1C[C@H]([NH2+]CCc2ccc(N)cc2)C1(CC)CC ZINC000817957507 632252310 /nfs/dbraw/zinc/25/23/10/632252310.db2.gz MTLSOCRVKRDYAT-DLBZAZTESA-N 1 0 290.451 3.385 20 10 CGCDRO CC(C)C[C@H](CN)[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000817958377 632253501 /nfs/dbraw/zinc/25/35/01/632253501.db2.gz IYNCQZDLXZZGTG-DMDPSCGWSA-N 1 0 280.387 3.043 20 10 CGCDRO Nc1ccc(CC[NH2+][C@H]2CCCc3ccc(O)cc32)cc1 ZINC000817958754 632254376 /nfs/dbraw/zinc/25/43/76/632254376.db2.gz XUMNPGYGHSFSIY-SFHVURJKSA-N 1 0 282.387 3.184 20 10 CGCDRO CCCC[C@H](CN)[NH2+][C@H](CC)c1ccc(N(C)C)cc1 ZINC000817962524 632257815 /nfs/dbraw/zinc/25/78/15/632257815.db2.gz JNWNHIIRVRYFCZ-NVXWUHKLSA-N 1 0 277.456 3.311 20 10 CGCDRO CC[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cccc(Cl)c1[O-] ZINC000817966490 632261756 /nfs/dbraw/zinc/26/17/56/632261756.db2.gz OWWBYUXWCZMTNL-HOCLYGCPSA-N 1 0 296.842 3.476 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)[C@H](C)[NH3+])c1ccc(Cl)c(Cl)c1[O-] ZINC000817978253 632269031 /nfs/dbraw/zinc/26/90/31/632269031.db2.gz YZTQWZIVWJXMPQ-RNSXUZJQSA-N 1 0 291.222 3.475 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1cccc(Cl)c1[O-] ZINC000817982428 632273336 /nfs/dbraw/zinc/27/33/36/632273336.db2.gz SCYRMWXAWCPTGW-WDMOLILDSA-N 1 0 282.815 3.214 20 10 CGCDRO CCN(CC)c1ccc(CN[C@@H]2CCCC[C@H]2[NH3+])cc1F ZINC000818431462 632318374 /nfs/dbraw/zinc/31/83/74/632318374.db2.gz NJEMQTQJPASMJS-HZPDHXFCSA-N 1 0 293.430 3.031 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H](O)CC1CCCC1 ZINC000819078444 632375285 /nfs/dbraw/zinc/37/52/85/632375285.db2.gz VJLQQNWRWZDSGJ-SFHVURJKSA-N 1 0 290.451 3.092 20 10 CGCDRO COc1ccc(N2CC[C@H](CNc3cc(C)cc[nH+]3)C2)cc1 ZINC000819936341 632541185 /nfs/dbraw/zinc/54/11/85/632541185.db2.gz RZIBHNOIOXEUAX-OAHLLOKOSA-N 1 0 297.402 3.337 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2C[C@H]2C(F)(F)F)c(Cl)c1 ZINC000865753209 632878279 /nfs/dbraw/zinc/87/82/79/632878279.db2.gz IDBARRRRBVICEG-PSASIEDQSA-N 1 0 279.689 3.394 20 10 CGCDRO COC(C)(C)CC[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000865755098 632879391 /nfs/dbraw/zinc/87/93/91/632879391.db2.gz PHKOIJFBYDCCQG-VOTSOKGWSA-N 1 0 276.424 3.171 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2C[C@H]2C2CCOCC2)cc1C ZINC000865784218 632889803 /nfs/dbraw/zinc/88/98/03/632889803.db2.gz DTHXYCJCMHIPOM-RDJZCZTQSA-N 1 0 289.419 3.161 20 10 CGCDRO COc1cccc(C[NH2+]Cc2c(F)cc(C)cc2F)c1O ZINC000822480625 632941530 /nfs/dbraw/zinc/94/15/30/632941530.db2.gz BHFXHUWMYBVCRI-UHFFFAOYSA-N 1 0 293.313 3.277 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+](C)C[C@@](C)(O)c2ccccc2)c1 ZINC000822517540 632960539 /nfs/dbraw/zinc/96/05/39/632960539.db2.gz ZCYQLAGTCZPIDL-GOSISDBHSA-N 1 0 285.387 3.040 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCc3ncccc32)cc1F ZINC000866248096 633043268 /nfs/dbraw/zinc/04/32/68/633043268.db2.gz KRTXJABNRDFADB-QGZVFWFLSA-N 1 0 299.393 3.454 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]C1([C@@H]3CCCCO3)CCC1)CC2 ZINC000866622550 633219598 /nfs/dbraw/zinc/21/95/98/633219598.db2.gz GJZFVIDSFMMVSF-HOCLYGCPSA-N 1 0 287.403 3.461 20 10 CGCDRO CC[C@H](C[C@H](C)O)[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000866633584 633222402 /nfs/dbraw/zinc/22/24/02/633222402.db2.gz KIDDMECHOGCGHD-FPMFFAJLSA-N 1 0 265.397 3.209 20 10 CGCDRO CC[C@H](C[C@H](C)O)[NH2+][C@@H](C)c1ccc(N(C)CC)cc1 ZINC000866634260 633223305 /nfs/dbraw/zinc/22/33/05/633223305.db2.gz DEGFDESQVQKSHJ-OFQRWUPVSA-N 1 0 278.440 3.343 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCn3nccc32)c(O)c1 ZINC000866634908 633224005 /nfs/dbraw/zinc/22/40/05/633224005.db2.gz VJSZZKYAYQGXPV-GXTWGEPZSA-N 1 0 271.364 3.083 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](F)C2)cc1 ZINC000824571959 633260423 /nfs/dbraw/zinc/26/04/23/633260423.db2.gz TVCLMRVBPHXKBH-AWEZNQCLSA-N 1 0 250.361 3.077 20 10 CGCDRO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc(N(CC)CC)cc1 ZINC000824636864 633266584 /nfs/dbraw/zinc/26/65/84/633266584.db2.gz UNWGFVYIQJSVCP-SJLPKXTDSA-N 1 0 290.451 3.126 20 10 CGCDRO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(N(CC)CC)cc1 ZINC000824636863 633266609 /nfs/dbraw/zinc/26/66/09/633266609.db2.gz UNWGFVYIQJSVCP-FUHWJXTLSA-N 1 0 290.451 3.126 20 10 CGCDRO CO[C@@](C)(C[NH2+]Cc1ccc2c(c1)CCO2)c1ccccc1 ZINC000824780526 633287874 /nfs/dbraw/zinc/28/78/74/633287874.db2.gz RSSHYHQIKYAMNZ-IBGZPJMESA-N 1 0 297.398 3.273 20 10 CGCDRO CO[C@@H]1CC[N@H+](Cc2cc(Cl)cc(C)c2O)C[C@@H]1C ZINC000824815362 633295303 /nfs/dbraw/zinc/29/53/03/633295303.db2.gz MPLARILMGAUTQO-SMDDNHRTSA-N 1 0 283.799 3.211 20 10 CGCDRO Oc1cc(Br)ccc1C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000824894541 633302646 /nfs/dbraw/zinc/30/26/46/633302646.db2.gz HIPXNMBQXIANPW-NSHDSACASA-N 1 0 296.208 3.387 20 10 CGCDRO c1cc(C[NH2+]C23CCC(CC2)CC3)cc2c1OCC2 ZINC000824936351 633308219 /nfs/dbraw/zinc/30/82/19/633308219.db2.gz XCVAGYKOWJJOQC-UHFFFAOYSA-N 1 0 257.377 3.434 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H]2C[C@H]2C(C)C)c1O ZINC000824977035 633313906 /nfs/dbraw/zinc/31/39/06/633313906.db2.gz IFFSGWCLDWKMSE-GWCFXTLKSA-N 1 0 283.799 3.436 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCCOCC2CC2)cc1Cl ZINC000825063386 633325372 /nfs/dbraw/zinc/32/53/72/633325372.db2.gz BRRDAFVWSZDRBH-UHFFFAOYSA-N 1 0 283.799 3.260 20 10 CGCDRO Cc1nn(C)cc1[C@H](C)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825246555 633338738 /nfs/dbraw/zinc/33/87/38/633338738.db2.gz DDBRNFHOPJYNCH-JTQLQIEISA-N 1 0 293.798 3.247 20 10 CGCDRO COC[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2)CC1 ZINC000825321901 633345081 /nfs/dbraw/zinc/34/50/81/633345081.db2.gz QKXBKAOPRANHAZ-MRXNPFEDSA-N 1 0 276.424 3.001 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CC2(C)CCOCC2)cc1Cl ZINC000825326087 633345682 /nfs/dbraw/zinc/34/56/82/633345682.db2.gz NJEPTFDXOJJVLF-UHFFFAOYSA-N 1 0 283.799 3.260 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C2(C3CC3)CC2)cc1Cl ZINC000825336768 633347048 /nfs/dbraw/zinc/34/70/48/633347048.db2.gz DRUWXZNUUMFNAK-UHFFFAOYSA-N 1 0 251.757 3.386 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCCSC2)cc1Cl ZINC000825331111 633347299 /nfs/dbraw/zinc/34/72/99/633347299.db2.gz IMGYZJGIHHSIJG-LLVKDONJSA-N 1 0 271.813 3.339 20 10 CGCDRO CCC1([NH2+]Cc2cc(Cl)c(C)cc2O)CCOCC1 ZINC000825440799 633354729 /nfs/dbraw/zinc/35/47/29/633354729.db2.gz KZVQPSMZHZDGBR-UHFFFAOYSA-N 1 0 283.799 3.403 20 10 CGCDRO COCC1=CC[N@H+](Cc2cc(Cl)c(C)cc2O)CC1 ZINC000825548489 633364170 /nfs/dbraw/zinc/36/41/70/633364170.db2.gz HASJAKDLZQWBFF-UHFFFAOYSA-N 1 0 281.783 3.133 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H]2CSC[C@H]2C)cc1Cl ZINC000825886473 633386128 /nfs/dbraw/zinc/38/61/28/633386128.db2.gz PKGFXNZVUFJBFS-SKDRFNHKSA-N 1 0 271.813 3.195 20 10 CGCDRO CCOC1CCC([NH2+][C@H](C)c2cc(OC)ccc2O)CC1 ZINC000825935504 633389424 /nfs/dbraw/zinc/38/94/24/633389424.db2.gz WEVJJLVNIMUVGK-IYXRBSQSSA-N 1 0 293.407 3.399 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)CSCCF)c1 ZINC000825934400 633389534 /nfs/dbraw/zinc/38/95/34/633389534.db2.gz INTGCNRLEJPRBA-WDEREUQCSA-N 1 0 287.400 3.143 20 10 CGCDRO CC[C@@](C)(C[NH2+]Cc1cc(Cl)c(C)cc1O)OC ZINC000826054221 633400701 /nfs/dbraw/zinc/40/07/01/633400701.db2.gz SLGQUAJQPOHZQL-AWEZNQCLSA-N 1 0 271.788 3.259 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H](C)COCC2CC2)cc1Cl ZINC000826140101 633407672 /nfs/dbraw/zinc/40/76/72/633407672.db2.gz YBSRWXKAIMUGTN-NSHDSACASA-N 1 0 283.799 3.259 20 10 CGCDRO CCCC[C@@](C)(CO)[NH2+]Cc1cc(Cl)ccc1O ZINC000842745442 633408861 /nfs/dbraw/zinc/40/88/61/633408861.db2.gz BAVZQHFOZZBUSA-AWEZNQCLSA-N 1 0 271.788 3.076 20 10 CGCDRO COc1ccc(O)c(C[NH+]2CCC(C3CCC3)CC2)c1 ZINC000826946887 633445032 /nfs/dbraw/zinc/44/50/32/633445032.db2.gz LFMDUCXAXMVYAJ-UHFFFAOYSA-N 1 0 275.392 3.413 20 10 CGCDRO Oc1c(C[NH2+][C@@H]2COC3(CCC3)C2)ccc2ccccc21 ZINC000827126204 633461602 /nfs/dbraw/zinc/46/16/02/633461602.db2.gz XPBFZKZBCPTWRG-HNNXBMFYSA-N 1 0 283.371 3.347 20 10 CGCDRO CC[C@](C)([NH2+]Cc1cc(OC)c(OC)cc1O)C1CC1 ZINC000827327121 633482606 /nfs/dbraw/zinc/48/26/06/633482606.db2.gz MKYDZBMMASJRLO-INIZCTEOSA-N 1 0 279.380 3.078 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)c1O ZINC000827506302 633495610 /nfs/dbraw/zinc/49/56/10/633495610.db2.gz GIRKTEMHDUXTBK-GHMZBOCLSA-N 1 0 251.757 3.196 20 10 CGCDRO C[N@H+](CC1=CCCC1)Cc1ccc(N2CCOCC2)cc1 ZINC000827719835 633512693 /nfs/dbraw/zinc/51/26/93/633512693.db2.gz QNSZLTBJSYVFMQ-UHFFFAOYSA-N 1 0 286.419 3.065 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@@H](O)[C@H](C)c2ccccc2)c1O ZINC000827733828 633513322 /nfs/dbraw/zinc/51/33/22/633513322.db2.gz PGHTYUKUZCZBIA-RDTXWAMCSA-N 1 0 299.414 3.209 20 10 CGCDRO CCc1cccc(C[NH2+][C@H](c2ccccc2)[C@@H](C)O)c1O ZINC000827856089 633525358 /nfs/dbraw/zinc/52/53/58/633525358.db2.gz LMWNBNXIBYQDCM-DYVFJYSZSA-N 1 0 285.387 3.166 20 10 CGCDRO CCOc1cccc(C[N@H+](C)C[C@@H]2CC2(C)C)c1O ZINC000827941062 633538284 /nfs/dbraw/zinc/53/82/84/633538284.db2.gz BUVUAGLAKCWSQY-ZDUSSCGKSA-N 1 0 263.381 3.269 20 10 CGCDRO CO[C@@H](C)C[N@H+](C)Cc1ccc(N2CCCCC2)c(C)c1 ZINC000829767620 633778604 /nfs/dbraw/zinc/77/86/04/633778604.db2.gz AFORMGLPNAXBNX-INIZCTEOSA-N 1 0 290.451 3.452 20 10 CGCDRO CC[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)CCO1 ZINC000830161025 633834384 /nfs/dbraw/zinc/83/43/84/633834384.db2.gz KKPILFMDWNLXAP-AEFFLSMTSA-N 1 0 288.435 3.334 20 10 CGCDRO CCC[C@H](C)[C@H](CO)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000846183317 636154930 /nfs/dbraw/zinc/15/49/30/636154930.db2.gz HJANHTOCVPKTDH-MJVIPROJSA-N 1 0 285.815 3.493 20 10 CGCDRO CCC[C@H](C)[C@H](CO)[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000846184687 636155478 /nfs/dbraw/zinc/15/54/78/636155478.db2.gz QMDJQUDKTDGCEI-WDMOLILDSA-N 1 0 285.815 3.493 20 10 CGCDRO C[C@H]([NH2+]CCC[C@@H]1CCOC1=O)c1cc(Cl)ccc1O ZINC000872111445 634035579 /nfs/dbraw/zinc/03/55/79/634035579.db2.gz CVWDUKVPHIIATO-WDEREUQCSA-N 1 0 297.782 3.040 20 10 CGCDRO CC[C@@H]([NH2+][C@H](C)c1nccnc1C)c1ccccc1O ZINC000872133823 634056177 /nfs/dbraw/zinc/05/61/77/634056177.db2.gz OYAFWBCHGGWEAJ-TZMCWYRMSA-N 1 0 271.364 3.293 20 10 CGCDRO COC[C@@H](Cc1ccccc1)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834611506 634197060 /nfs/dbraw/zinc/19/70/60/634197060.db2.gz LUPWDHUXNJNXDB-SJORKVTESA-N 1 0 297.398 3.227 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]C[C@H]1OCCc3ccccc31)CC2 ZINC000834645278 634207440 /nfs/dbraw/zinc/20/74/40/634207440.db2.gz AFEUNSBXYLVFBF-SJLPKXTDSA-N 1 0 295.382 3.283 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]Cc1ccn(C3CCCC3)n1)CC2 ZINC000834685090 634219569 /nfs/dbraw/zinc/21/95/69/634219569.db2.gz HKZFGTRFVYSEDQ-INIZCTEOSA-N 1 0 297.402 3.481 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]CCC[C@H]1CCCC[C@H]1O)CC2 ZINC000834684892 634219957 /nfs/dbraw/zinc/21/99/57/634219957.db2.gz AHZPJRSBOXRFNR-FVQBIDKESA-N 1 0 289.419 3.300 20 10 CGCDRO COc1ccc(C[NH2+]CC(C)(C)C)cc1Cn1cccn1 ZINC000873021316 634232288 /nfs/dbraw/zinc/23/22/88/634232288.db2.gz LLTNYOGKLUOFSY-UHFFFAOYSA-N 1 0 287.407 3.076 20 10 CGCDRO OC[C@@H](C[NH2+][C@@H]1CCc2cccc(O)c21)C1CCCCC1 ZINC000834810277 634245515 /nfs/dbraw/zinc/24/55/15/634245515.db2.gz AZXGWVJXRMIETN-HZPDHXFCSA-N 1 0 289.419 3.158 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@H]2CCO[C@@H](C)C2)cc1C ZINC000873099228 634246160 /nfs/dbraw/zinc/24/61/60/634246160.db2.gz UBFQGQLPYRIJKH-HOCLYGCPSA-N 1 0 277.408 3.441 20 10 CGCDRO CCCOc1ccc(C[NH2+]CCC2(C)OCCO2)cc1C ZINC000873104055 634246892 /nfs/dbraw/zinc/24/68/92/634246892.db2.gz JEUJQDVKLMARRM-UHFFFAOYSA-N 1 0 293.407 3.027 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@H]2CCn3ccnc3C2)cc1C ZINC000873109199 634247603 /nfs/dbraw/zinc/24/76/03/634247603.db2.gz HBKHNDLLUOOZDF-INIZCTEOSA-N 1 0 299.418 3.085 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CCn3ccnc32)c1O ZINC000834832485 634251551 /nfs/dbraw/zinc/25/15/51/634251551.db2.gz OZBJGSUDKXSBMQ-ZWNOBZJWSA-N 1 0 291.782 3.346 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCn3ccnc32)c(O)c1C ZINC000834833274 634251573 /nfs/dbraw/zinc/25/15/73/634251573.db2.gz XMKQFIQETZMFKM-TZMCWYRMSA-N 1 0 271.364 3.001 20 10 CGCDRO C[C@H](CCCCO)[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000834877110 634263323 /nfs/dbraw/zinc/26/33/23/634263323.db2.gz FYOTVAGVNOWVHR-NQBHXWOUSA-N 1 0 281.371 3.220 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000873157501 634265677 /nfs/dbraw/zinc/26/56/77/634265677.db2.gz ZXYHFMDTUUZVJG-DGFSRKRXSA-N 1 0 281.783 3.093 20 10 CGCDRO CCC1(C[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)COC1 ZINC000834901296 634278263 /nfs/dbraw/zinc/27/82/63/634278263.db2.gz ZFLPBHZRJCLLID-CYBMUJFWSA-N 1 0 289.419 3.348 20 10 CGCDRO CCO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccccc1O ZINC000834914687 634286376 /nfs/dbraw/zinc/28/63/76/634286376.db2.gz VYQJAOCLVSTZLQ-XNRPHZJLSA-N 1 0 263.381 3.391 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000873251269 634301637 /nfs/dbraw/zinc/30/16/37/634301637.db2.gz KWXVIDIJZHHRCV-HLTSFMKQSA-N 1 0 289.206 3.087 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cc(N)cc(F)c2)c(O)c1 ZINC000873288503 634321346 /nfs/dbraw/zinc/32/13/46/634321346.db2.gz HGXUBOVDRRPXOB-LLVKDONJSA-N 1 0 274.339 3.273 20 10 CGCDRO CCN(CC[NH2+]C/C=C\c1ccc(N(C)C)cc1)C(C)C ZINC000835035251 634327377 /nfs/dbraw/zinc/32/73/77/634327377.db2.gz FCLKWSORHNFRAK-FPLPWBNLSA-N 1 0 289.467 3.086 20 10 CGCDRO C[C@H](O)CC(C)(C)C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835041130 634329439 /nfs/dbraw/zinc/32/94/39/634329439.db2.gz VQNZFFVFNJWTMC-XHPSBEMXSA-N 1 0 290.451 3.153 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@H]2CCCS2)cc1 ZINC000835042307 634330515 /nfs/dbraw/zinc/33/05/15/634330515.db2.gz IDTRLGVNCYYHJP-OICCZTGUSA-N 1 0 276.449 3.251 20 10 CGCDRO CO[C@@H]1CCC[C@H]1C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835042697 634330768 /nfs/dbraw/zinc/33/07/68/634330768.db2.gz KXBMPYXESJMFOZ-OZZQIWQLSA-N 1 0 288.435 3.171 20 10 CGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@H](OC(F)F)C2)cc1 ZINC000835050736 634336339 /nfs/dbraw/zinc/33/63/39/634336339.db2.gz WUCXJVYSTKSPKC-BWPKMQGJSA-N 1 0 296.361 3.079 20 10 CGCDRO CCN(C(=O)C1=CC[C@@H]([NH3+])C1)c1ccc2ccccc2c1 ZINC000876627799 634871435 /nfs/dbraw/zinc/87/14/35/634871435.db2.gz CVAIJUPPJLLICN-MRXNPFEDSA-N 1 0 280.371 3.240 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCC[C@]3(CCCOC3)C2)c(O)c1 ZINC000876763303 634895464 /nfs/dbraw/zinc/89/54/64/634895464.db2.gz JXTFCCJUDZAWJB-KRWDZBQOSA-N 1 0 275.392 3.093 20 10 CGCDRO Cc1cccc(O)c1C[NH+]1CCN(c2cccs2)CC1 ZINC000876771698 634896459 /nfs/dbraw/zinc/89/64/59/634896459.db2.gz WQEFDCRIHWJNKK-UHFFFAOYSA-N 1 0 288.416 3.084 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2cccnc2OC(C)C)c(O)c1 ZINC000876873429 634917850 /nfs/dbraw/zinc/91/78/50/634917850.db2.gz GIUIEWGDORUTTE-UHFFFAOYSA-N 1 0 286.375 3.173 20 10 CGCDRO Cc1ccc(C[NH2+]C[C@@H]2COc3ccccc3C2)c(O)c1 ZINC000876875903 634918582 /nfs/dbraw/zinc/91/85/82/634918582.db2.gz DTLONLWKYDKXFC-CQSZACIVSA-N 1 0 283.371 3.042 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2ccc3c(c2)OCCCO3)c(O)c1 ZINC000877003689 634947599 /nfs/dbraw/zinc/94/75/99/634947599.db2.gz BLGFGXVOKAVKKG-UHFFFAOYSA-N 1 0 299.370 3.152 20 10 CGCDRO Cc1ccc(C[NH2+][C@H]2CCOc3ccc(F)cc32)c(O)c1 ZINC000877008716 634949158 /nfs/dbraw/zinc/94/91/58/634949158.db2.gz WVJNPNQXLCISEE-HNNXBMFYSA-N 1 0 287.334 3.453 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CCC[C@H]2CCO2)cc1F ZINC000877028154 634954949 /nfs/dbraw/zinc/95/49/49/634954949.db2.gz ZGSWLFAFPLSMAW-HNNXBMFYSA-N 1 0 294.414 3.331 20 10 CGCDRO Cc1ccc(C[NH2+]C(C)(C)c2nccs2)c(O)c1 ZINC000877035761 634958541 /nfs/dbraw/zinc/95/85/41/634958541.db2.gz KFNPIYQWSXPVIK-UHFFFAOYSA-N 1 0 262.378 3.182 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]C[C@@H](O)c1ccccc1Cl ZINC000877055579 634965699 /nfs/dbraw/zinc/96/56/99/634965699.db2.gz QGBXSTGTKJIPLL-MRXNPFEDSA-N 1 0 291.778 3.177 20 10 CGCDRO CCC[C@@H](C[NH2+]CCCSc1nccs1)OC ZINC000877061357 634967647 /nfs/dbraw/zinc/96/76/47/634967647.db2.gz FRRTZNBVCRZAIJ-NSHDSACASA-N 1 0 274.455 3.030 20 10 CGCDRO CCCCn1cc(C[NH2+]Cc2c(C)cccc2O)c(C)n1 ZINC000877133149 634996459 /nfs/dbraw/zinc/99/64/59/634996459.db2.gz XJGINKICTDSTRF-UHFFFAOYSA-N 1 0 287.407 3.295 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]C[C@H](C)c1nccs1 ZINC000877339431 635028578 /nfs/dbraw/zinc/02/85/78/635028578.db2.gz ZYOOOJFZUXUWCG-NSHDSACASA-N 1 0 262.378 3.050 20 10 CGCDRO Cc1cccc(O)c1C[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000877465098 635047692 /nfs/dbraw/zinc/04/76/92/635047692.db2.gz UFFFCKONIISIJK-KRWDZBQOSA-N 1 0 275.392 3.092 20 10 CGCDRO Cc1ccc(C[N@H+]2CCSCC[C@@H]2C)c(O)c1 ZINC000877473562 635051362 /nfs/dbraw/zinc/05/13/62/635051362.db2.gz JTXFKEBNTJAGIB-LBPRGKRZSA-N 1 0 251.395 3.028 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2cc(C)cc(Cl)n2)c(O)c1 ZINC000877498868 635061501 /nfs/dbraw/zinc/06/15/01/635061501.db2.gz VZTMFWCEPXIKPS-UHFFFAOYSA-N 1 0 276.767 3.347 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)c1ccc(C)c(C)c1O)[C@H](O)C(C)C ZINC000840883065 635073128 /nfs/dbraw/zinc/07/31/28/635073128.db2.gz RQPWHNYGTGMJJI-CWRNSKLLSA-N 1 0 279.424 3.455 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](CC)c1ccccc1O)[C@H](O)C(C)C ZINC000840882554 635073464 /nfs/dbraw/zinc/07/34/64/635073464.db2.gz PGAWLRFAHKCUCM-SQWLQELKSA-N 1 0 265.397 3.228 20 10 CGCDRO Cc1cc(O)c(CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(Cl)c1 ZINC000840917891 635082944 /nfs/dbraw/zinc/08/29/44/635082944.db2.gz UYYBOCHBBLOOFP-QWHCGFSZSA-N 1 0 296.842 3.269 20 10 CGCDRO CSC[C@H]1CCC[N@H+](Cc2ccc(C)cc2O)C1 ZINC000877547748 635083433 /nfs/dbraw/zinc/08/34/33/635083433.db2.gz IYLHBJIGXCKZJV-ZDUSSCGKSA-N 1 0 265.422 3.276 20 10 CGCDRO Cc1ccc(CNc2cc3c(c[nH+]2)CCC3)c(O)c1 ZINC000877553118 635086574 /nfs/dbraw/zinc/08/65/74/635086574.db2.gz JPJJJLOCLWFHAN-UHFFFAOYSA-N 1 0 254.333 3.196 20 10 CGCDRO Cc1cc(O)c(CN2CCC[C@@H]([NH+](C)C)CC2)c(Cl)c1 ZINC000840941726 635088047 /nfs/dbraw/zinc/08/80/47/635088047.db2.gz JEWNHOZSJULGMJ-CYBMUJFWSA-N 1 0 296.842 3.270 20 10 CGCDRO COCC[C@H](C)C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000840955894 635093001 /nfs/dbraw/zinc/09/30/01/635093001.db2.gz ZWKLGRIIXJERQN-NFAHFFEMSA-N 1 0 276.424 3.028 20 10 CGCDRO Cc1ccc(C[NH2+]CCCc2ncccc2C)c(O)c1 ZINC000877565385 635094010 /nfs/dbraw/zinc/09/40/10/635094010.db2.gz GMEJOPWZKSJSKD-UHFFFAOYSA-N 1 0 270.376 3.126 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H]2CS[C@H](C)C2)c(Cl)c1 ZINC000840959432 635094160 /nfs/dbraw/zinc/09/41/60/635094160.db2.gz VMSGPVXXRPDPMO-NXEZZACHSA-N 1 0 271.813 3.338 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](C)[C@@](C)(OC)C2CC2)cc1C ZINC000840962021 635095337 /nfs/dbraw/zinc/09/53/37/635095337.db2.gz ZXSARNAIXMXIBP-SUMWQHHRSA-N 1 0 277.408 3.297 20 10 CGCDRO COC1([C@H](C)[NH2+]Cc2cc(Cl)ccc2O)CCC1 ZINC000840970298 635097083 /nfs/dbraw/zinc/09/70/83/635097083.db2.gz SZXLMTOADHZNFG-JTQLQIEISA-N 1 0 269.772 3.093 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CC(C)(C)C[C@H]2C)c1O ZINC000840970211 635097430 /nfs/dbraw/zinc/09/74/30/635097430.db2.gz RLDBZTNKHCUEDE-GFCCVEGCSA-N 1 0 263.381 3.411 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1cncs1 ZINC000840977163 635098893 /nfs/dbraw/zinc/09/88/93/635098893.db2.gz TUHXWBSPEKQSSD-ZDUSSCGKSA-N 1 0 289.448 3.238 20 10 CGCDRO c1cc(CNCC[NH2+]C2CCCCCC2)cc2c1OCC2 ZINC000841027438 635108626 /nfs/dbraw/zinc/10/86/26/635108626.db2.gz BAZHWZLSFQPDCH-UHFFFAOYSA-N 1 0 288.435 3.024 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H](C(C)C)C2(CO)CC=CC2)c(O)c1 ZINC000877607718 635109787 /nfs/dbraw/zinc/10/97/87/635109787.db2.gz JTVXXRCPZBYWIN-KRWDZBQOSA-N 1 0 289.419 3.144 20 10 CGCDRO CC1(C)Cc2cc(C[NH2+]CCc3ccc(N)cc3)ccc2O1 ZINC000841035094 635109966 /nfs/dbraw/zinc/10/99/66/635109966.db2.gz KOEYHUQAMDIHCN-UHFFFAOYSA-N 1 0 296.414 3.315 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+]CCc2ccc(N)cc2)c1O ZINC000841034600 635110323 /nfs/dbraw/zinc/11/03/23/635110323.db2.gz HZWTWYFDOJFAOH-UHFFFAOYSA-N 1 0 290.794 3.269 20 10 CGCDRO CC(C)c1ccc([C@H](N)C[NH2+]Cc2ccccc2O)cc1 ZINC000841036236 635111250 /nfs/dbraw/zinc/11/12/50/635111250.db2.gz LQUJCUIKWLEISC-QGZVFWFLSA-N 1 0 284.403 3.305 20 10 CGCDRO CC[C@@H](Cc1ccccc1)[NH2+]CCc1ccc(N)cc1 ZINC000841036487 635111390 /nfs/dbraw/zinc/11/13/90/635111390.db2.gz SNBBEHVWCNZEOF-SFHVURJKSA-N 1 0 268.404 3.422 20 10 CGCDRO Nc1ccc(CC[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)cc1 ZINC000841036875 635111471 /nfs/dbraw/zinc/11/14/71/635111471.db2.gz WVEBIRRFBUHPCN-QGZVFWFLSA-N 1 0 286.806 3.222 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H](CN)C2CCCCC2)cc1C ZINC000841039402 635111957 /nfs/dbraw/zinc/11/19/57/635111957.db2.gz NMGCWOFOGSPNBJ-INIZCTEOSA-N 1 0 276.424 3.006 20 10 CGCDRO CN(C)c1ccc([C@H](N)C[NH2+][C@H]2CCCCC2(C)C)cc1 ZINC000841046085 635114293 /nfs/dbraw/zinc/11/42/93/635114293.db2.gz VTGQHGTUECNTEX-SJORKVTESA-N 1 0 289.467 3.311 20 10 CGCDRO CCCC[C@H](CC)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000841045832 635114694 /nfs/dbraw/zinc/11/46/94/635114694.db2.gz QYZMDABGMYFYGF-RDJZCZTQSA-N 1 0 277.456 3.311 20 10 CGCDRO C[NH2+]Cc1ccc(NCc2ccc(N(C)C)cc2)cc1 ZINC000841071316 635117767 /nfs/dbraw/zinc/11/77/67/635117767.db2.gz OETOETGELJSBJX-UHFFFAOYSA-N 1 0 269.392 3.084 20 10 CGCDRO [NH3+]CCC[C@@H]([NH2+]Cc1cccc(F)c1[O-])c1ccccc1 ZINC000841086106 635119858 /nfs/dbraw/zinc/11/98/58/635119858.db2.gz CSYFCPGDLPERLJ-MRXNPFEDSA-N 1 0 288.366 3.101 20 10 CGCDRO CCN(Cc1ccccc1)c1ccc(CN(C)CC[NH3+])cc1 ZINC000841101581 635122094 /nfs/dbraw/zinc/12/20/94/635122094.db2.gz YYSAFJFPNIATAB-UHFFFAOYSA-N 1 0 297.446 3.104 20 10 CGCDRO CCC1([NH+](C)C)CC[NH+](Cc2c(C)cccc2O)CC1 ZINC000877690129 635147799 /nfs/dbraw/zinc/14/77/99/635147799.db2.gz NSPMVJYXJXDUMJ-UHFFFAOYSA-N 1 0 276.424 3.007 20 10 CGCDRO CSC(C)(C)CC[N@@H+]1Cc2cccc(O)c2C1 ZINC000877703185 635155616 /nfs/dbraw/zinc/15/56/16/635155616.db2.gz VGZUKXLFCGYPCU-UHFFFAOYSA-N 1 0 251.395 3.240 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc2c(n1)CCC2)c1ccccc1O ZINC000877755564 635183910 /nfs/dbraw/zinc/18/39/10/635183910.db2.gz FPWYGGPNFNODEJ-GFCCVEGCSA-N 1 0 268.360 3.127 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C)SC1)c1ccccc1O ZINC000877755586 635184458 /nfs/dbraw/zinc/18/44/58/635184458.db2.gz HCTZFSABFBWDAJ-QJPTWQEYSA-N 1 0 251.395 3.327 20 10 CGCDRO CCOc1cc(C[NH2+][C@H](C)c2ccccc2O)ccc1O ZINC000877755958 635184734 /nfs/dbraw/zinc/18/47/34/635184734.db2.gz UVZFOPNLDMPOFM-GFCCVEGCSA-N 1 0 287.359 3.347 20 10 CGCDRO CO[C@H]1C[C@H]2C[C@H]([NH2+][C@H](C)c3ccccc3O)C[C@H]2C1 ZINC000877755904 635184762 /nfs/dbraw/zinc/18/47/62/635184762.db2.gz SEOLSUIVZGIJSN-MRLBHPIUSA-N 1 0 275.392 3.246 20 10 CGCDRO CC[C@H]1C[C@H](C[NH2+][C@H](C)c2ccccc2O)CCO1 ZINC000877756299 635185885 /nfs/dbraw/zinc/18/58/85/635185885.db2.gz FTWKMOUGNKCIDA-MCIONIFRSA-N 1 0 263.381 3.248 20 10 CGCDRO COc1c(C)cnc(C[NH2+][C@H](C)c2ccccc2O)c1C ZINC000877757264 635185942 /nfs/dbraw/zinc/18/59/42/635185942.db2.gz HKIDUELEOKUXJB-CYBMUJFWSA-N 1 0 286.375 3.263 20 10 CGCDRO CCCn1nc(C)c(C[NH2+][C@H](C)c2ccccc2O)c1C ZINC000877756270 635186149 /nfs/dbraw/zinc/18/61/49/635186149.db2.gz DTJFTRQGPFAKLA-GFCCVEGCSA-N 1 0 287.407 3.466 20 10 CGCDRO CC(C)n1nccc1C[NH2+][C@@H](C)c1ccccc1O ZINC000877757982 635187299 /nfs/dbraw/zinc/18/72/99/635187299.db2.gz BMWGDCCQGRGSTI-LBPRGKRZSA-N 1 0 259.353 3.020 20 10 CGCDRO CC(C)Cn1nccc1C[NH2+][C@@H](C)c1ccccc1O ZINC000877758055 635187567 /nfs/dbraw/zinc/18/75/67/635187567.db2.gz HFGWDNQRVHICOZ-ZDUSSCGKSA-N 1 0 273.380 3.096 20 10 CGCDRO CC(C)(O)[C@@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000877797000 635207664 /nfs/dbraw/zinc/20/76/64/635207664.db2.gz ONSUJMBWSSRLGZ-LLVKDONJSA-N 1 0 283.799 3.029 20 10 CGCDRO C[C@@H]([NH2+]CC1(O)CCCCC1)c1ccc(Cl)cc1O ZINC000841746202 635222867 /nfs/dbraw/zinc/22/28/67/635222867.db2.gz CXKDVGRSPVSVLN-LLVKDONJSA-N 1 0 283.799 3.391 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1cn[nH]c1)c1ccc(Cl)cc1O ZINC000841752712 635227433 /nfs/dbraw/zinc/22/74/33/635227433.db2.gz VHSAGSOGHFPSLE-DTWKUNHWSA-N 1 0 265.744 3.181 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CCOC1(C)C)c1ccc(Cl)cc1O ZINC000841755569 635230200 /nfs/dbraw/zinc/23/02/00/635230200.db2.gz JIDPILAEEBZZIY-RNCFNFMXSA-N 1 0 269.772 3.264 20 10 CGCDRO C[C@H]([NH2+][C@H]1COCc2ccccc21)c1cc(F)ccc1O ZINC000841758766 635230905 /nfs/dbraw/zinc/23/09/05/635230905.db2.gz DCHSNRSICWZWSJ-ZBEGNZNMSA-N 1 0 287.334 3.453 20 10 CGCDRO CO[C@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1O)C1CC1 ZINC000841759554 635233145 /nfs/dbraw/zinc/23/31/45/635233145.db2.gz ZTZLCDHFRGOQBM-LKFCYVNXSA-N 1 0 269.772 3.121 20 10 CGCDRO Cc1cc(C[N@H+](Cc2ccccc2O)C2CCCC2)n(C)n1 ZINC000841844295 635242172 /nfs/dbraw/zinc/24/21/72/635242172.db2.gz WOOSFJGSJCPFSS-UHFFFAOYSA-N 1 0 299.418 3.379 20 10 CGCDRO Cc1cccc(C[NH2+][C@H]2COCc3ccccc32)c1O ZINC000841890924 635247402 /nfs/dbraw/zinc/24/74/02/635247402.db2.gz KVTYIJNLCZDCGB-INIZCTEOSA-N 1 0 269.344 3.062 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H]2COCc3ccccc32)c1 ZINC000841891802 635248640 /nfs/dbraw/zinc/24/86/40/635248640.db2.gz VLWUWEIPRZVIKK-INIZCTEOSA-N 1 0 269.344 3.062 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CCSC[C@@H]2C2CCC2)c1 ZINC000841893035 635249013 /nfs/dbraw/zinc/24/90/13/635249013.db2.gz CEJVVMWRPLCWDW-OAHLLOKOSA-N 1 0 293.432 3.118 20 10 CGCDRO COc1ccc(N(CC[C@@H]2CC[NH2+]C2)[C@@H](C)C2CC2)cc1 ZINC000842472132 635377791 /nfs/dbraw/zinc/37/77/91/635377791.db2.gz RXSKICFMTAUQER-GJZGRUSLSA-N 1 0 288.435 3.300 20 10 CGCDRO COc1ccc(N(CC[C@H]2CC[NH2+]C2)[C@H](C)C2CC2)cc1 ZINC000842472133 635378421 /nfs/dbraw/zinc/37/84/21/635378421.db2.gz RXSKICFMTAUQER-HUUCEWRRSA-N 1 0 288.435 3.300 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@H+]2CC3(C[C@@H]2C)CCOCC3)c1 ZINC000842637785 635425012 /nfs/dbraw/zinc/42/50/12/635425012.db2.gz RJFYUXOPEBJPNP-HNNXBMFYSA-N 1 0 289.419 3.400 20 10 CGCDRO Cc1cc(C)c(C[N@H+](C)Cc2ccccc2O)c(C)n1 ZINC000878242308 635429063 /nfs/dbraw/zinc/42/90/63/635429063.db2.gz OIDHQVKWBURVSK-UHFFFAOYSA-N 1 0 270.376 3.344 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCC3(CCC3)O2)c1 ZINC000878360973 635474288 /nfs/dbraw/zinc/47/42/88/635474288.db2.gz USCAHEMUWARSKU-GXTWGEPZSA-N 1 0 291.391 3.153 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)CCc2cccs2)cc1 ZINC000104945258 635504609 /nfs/dbraw/zinc/50/46/09/635504609.db2.gz POKBOINMBXKGCX-UHFFFAOYSA-N 1 0 274.433 3.489 20 10 CGCDRO C[C@@H]([NH2+][C@@H](CCO)c1ccccc1F)c1ccccc1O ZINC000842922210 635511616 /nfs/dbraw/zinc/51/16/16/635511616.db2.gz AHVJESHFDBVCDL-WBMJQRKESA-N 1 0 289.350 3.306 20 10 CGCDRO C[C@@H]([NH2+][C@H](CCO)c1ccccc1F)c1ccccc1O ZINC000842922208 635512127 /nfs/dbraw/zinc/51/21/27/635512127.db2.gz AHVJESHFDBVCDL-MLGOLLRUSA-N 1 0 289.350 3.306 20 10 CGCDRO CCO[C@@H]1C[C@@H]([NH2+][C@H](CC)c2ccccc2O)[C@@H]1SC ZINC000842925202 635513537 /nfs/dbraw/zinc/51/35/37/635513537.db2.gz WUUXUENAFHVVOW-XOUADPBQSA-N 1 0 295.448 3.342 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CO[C@H](C)C1)c1cc2c(cc1O)CCCC2 ZINC000842929774 635514174 /nfs/dbraw/zinc/51/41/74/635514174.db2.gz UOWILKYWXXFKSC-XUJVJEKNSA-N 1 0 275.392 3.099 20 10 CGCDRO Cc1cccc2nc(CC[NH2+][C@H](C)c3ccccc3O)cn21 ZINC000842932650 635514386 /nfs/dbraw/zinc/51/43/86/635514386.db2.gz GXLYYZCNDRVIAS-CQSZACIVSA-N 1 0 295.386 3.242 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H]2c2cn[nH]c2)cc1 ZINC000878876873 635648052 /nfs/dbraw/zinc/64/80/52/635648052.db2.gz WLIGYBFHPNWXHY-QGZVFWFLSA-N 1 0 284.407 3.203 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000843419537 635665266 /nfs/dbraw/zinc/66/52/66/635665266.db2.gz XDVCEVAMNIBHPJ-SFHVURJKSA-N 1 0 295.430 3.446 20 10 CGCDRO Cc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000879651815 635828519 /nfs/dbraw/zinc/82/85/19/635828519.db2.gz LNEDKSSORXCAPZ-KBPBESRZSA-N 1 0 298.386 3.378 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CNc3ccccc3C2)cc1C ZINC000844908874 635981718 /nfs/dbraw/zinc/98/17/18/635981718.db2.gz YEPJCWFFRGVHMY-INIZCTEOSA-N 1 0 282.387 3.130 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2ccc(F)nc2)c1 ZINC000930215286 636069667 /nfs/dbraw/zinc/06/96/67/636069667.db2.gz SDXBEAVIVAFNFT-QWRGUYRKSA-N 1 0 290.338 3.347 20 10 CGCDRO CC[C@@]1(C)CCC[C@@H]1[NH2+]Cc1cccc(OC)c1O ZINC000845970155 636125301 /nfs/dbraw/zinc/12/53/01/636125301.db2.gz KVLMEVZMCZOFEY-HOCLYGCPSA-N 1 0 263.381 3.459 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H]2C[C@H]2CC(C)(C)C)c1 ZINC000846026697 636131392 /nfs/dbraw/zinc/13/13/92/636131392.db2.gz TYMUTFMORVEXPZ-SMDDNHRTSA-N 1 0 263.381 3.315 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](CCO)CC(C)C)c1O ZINC000846148571 636149978 /nfs/dbraw/zinc/14/99/78/636149978.db2.gz QZDCLXDXNPGODS-KGLIPLIRSA-N 1 0 295.423 3.096 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C2C[C@@H](C)O[C@H](C)C2)c1O ZINC000846157492 636150427 /nfs/dbraw/zinc/15/04/27/636150427.db2.gz COWSRRZDCIAFLW-UTUOFQBUSA-N 1 0 279.380 3.007 20 10 CGCDRO COCCC(C)(C)C[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846161787 636150976 /nfs/dbraw/zinc/15/09/76/636150976.db2.gz DCMSIGIERSKGMH-GFCCVEGCSA-N 1 0 281.396 3.114 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H]2CCC(F)(F)C2)c1O ZINC000846168711 636151943 /nfs/dbraw/zinc/15/19/43/636151943.db2.gz UGHBQAFYHIYVTM-GHMZBOCLSA-N 1 0 285.334 3.487 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)COCC2CC2)c(O)c1C ZINC000846203964 636157954 /nfs/dbraw/zinc/15/79/54/636157954.db2.gz JDIMPPKDPREKMF-JSGCOSHPSA-N 1 0 277.408 3.475 20 10 CGCDRO COc1ccc(N(C)CCCCCC[NH3+])cc1Cl ZINC000846219295 636162340 /nfs/dbraw/zinc/16/23/40/636162340.db2.gz NPGZFRYGXFXCAG-UHFFFAOYSA-N 1 0 270.804 3.304 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H](C)N(C)C1CC1)c1ccc(N(C)C)cc1 ZINC000130973414 636540146 /nfs/dbraw/zinc/54/01/46/636540146.db2.gz VZPROSZOLFXLRD-RDTXWAMCSA-N 1 0 289.467 3.276 20 10 CGCDRO COCC1(C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)CC1 ZINC000848560287 636605356 /nfs/dbraw/zinc/60/53/56/636605356.db2.gz CHSGIMSKPVDEIE-ZDUSSCGKSA-N 1 0 263.381 3.086 20 10 CGCDRO COCC1(C[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)CC1 ZINC000848560711 636606553 /nfs/dbraw/zinc/60/65/53/636606553.db2.gz JWBQCFCKXULQHC-ZDUSSCGKSA-N 1 0 289.419 3.348 20 10 CGCDRO COC[C@H](CC(C)(C)C)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000848565719 636608445 /nfs/dbraw/zinc/60/84/45/636608445.db2.gz ZVKKQWVXYWSCMH-UONOGXRCSA-N 1 0 277.408 3.420 20 10 CGCDRO COc1c(C)cccc1C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000848564369 636608566 /nfs/dbraw/zinc/60/85/66/636608566.db2.gz LVPKTHTVXKWXKD-UHFFFAOYSA-N 1 0 284.403 3.359 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H](COC)CC(C)(C)C)c1O ZINC000848566995 636609226 /nfs/dbraw/zinc/60/92/26/636609226.db2.gz NTBOQZGSIAZSSE-CQSZACIVSA-N 1 0 295.423 3.332 20 10 CGCDRO c1cc(C[NH2+]C[C@@H]2CCC3(CCCC3)O2)cc2c1OCC2 ZINC000848576033 636614038 /nfs/dbraw/zinc/61/40/38/636614038.db2.gz FZLARYVFCQQMRI-INIZCTEOSA-N 1 0 287.403 3.203 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cc(C)ccc1O)[C@H]1CCCCO1 ZINC000848575542 636614491 /nfs/dbraw/zinc/61/44/91/636614491.db2.gz SCGMAQCKYNDTGH-GDBMZVCRSA-N 1 0 263.381 3.138 20 10 CGCDRO COc1cccc(O)c1C[NH2+]CC1(CC2CC2)CC1 ZINC000883249874 636620428 /nfs/dbraw/zinc/62/04/28/636620428.db2.gz SVJQENFUQSJRHV-UHFFFAOYSA-N 1 0 261.365 3.071 20 10 CGCDRO CO[C@H]1C[C@H](C[NH2+][C@H](C)c2ccc(C)c(C)c2O)C1 ZINC000883272463 636643205 /nfs/dbraw/zinc/64/32/05/636643205.db2.gz NBLLGJWKZCMSOD-MGPQQGTHSA-N 1 0 263.381 3.085 20 10 CGCDRO CO[C@H]1C[C@H](C[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)C1 ZINC000883272291 636643339 /nfs/dbraw/zinc/64/33/39/636643339.db2.gz JBMZPBBLZJWPEE-NQBHXWOUSA-N 1 0 283.799 3.430 20 10 CGCDRO CCc1cccc(C[N@@H+]2CC[C@H](N3CCCCC3)C2)c1O ZINC000848886036 636675059 /nfs/dbraw/zinc/67/50/59/636675059.db2.gz QRUYYOPBEAPDNY-KRWDZBQOSA-N 1 0 288.435 3.015 20 10 CGCDRO CCc1cccc(C[N@@H+]2CC[C@@H](N3CCCCC3)C2)c1O ZINC000848886038 636675241 /nfs/dbraw/zinc/67/52/41/636675241.db2.gz QRUYYOPBEAPDNY-QGZVFWFLSA-N 1 0 288.435 3.015 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@@H](O)c2ccc(C)cc2)c1O ZINC000848893536 636678939 /nfs/dbraw/zinc/67/89/39/636678939.db2.gz GAMUNEIGTCYPKQ-QGZVFWFLSA-N 1 0 285.387 3.086 20 10 CGCDRO CCc1cccc(C[NH2+]CC2CCC(OC)CC2)c1O ZINC000848897215 636679878 /nfs/dbraw/zinc/67/98/78/636679878.db2.gz GNEYBRBZDVMCJM-UHFFFAOYSA-N 1 0 277.408 3.249 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H](COC)c2ccc(C)o2)c1O ZINC000848898445 636680661 /nfs/dbraw/zinc/68/06/61/636680661.db2.gz VETZLAQYIVYCKL-HNNXBMFYSA-N 1 0 289.375 3.333 20 10 CGCDRO CCc1cccc(C[NH2+][C@]2(C)CCO[C@H]2C2CC2)c1O ZINC000848902256 636682877 /nfs/dbraw/zinc/68/28/77/636682877.db2.gz MJTFRHCCLFLAAU-DLBZAZTESA-N 1 0 275.392 3.002 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H]2CC(C)(C)OC2(C)C)c1O ZINC000848901660 636683207 /nfs/dbraw/zinc/68/32/07/636683207.db2.gz ZAEXJWWAWGIGAB-CQSZACIVSA-N 1 0 277.408 3.390 20 10 CGCDRO CCc1cccc(C[N@H+](C)Cc2cnccc2C)c1O ZINC000848908600 636685365 /nfs/dbraw/zinc/68/53/65/636685365.db2.gz YNCOHZVOYVJDDD-UHFFFAOYSA-N 1 0 270.376 3.290 20 10 CGCDRO CCc1cccc(C[NH2+][C@H](C)[C@@H](O)c2ccccc2)c1O ZINC000848912173 636687570 /nfs/dbraw/zinc/68/75/70/636687570.db2.gz NNSHEGNQAFCFOR-CXAGYDPISA-N 1 0 285.387 3.166 20 10 CGCDRO CCc1cccc(C[NH2+]CC2(COC)CCCC2)c1O ZINC000848914577 636688398 /nfs/dbraw/zinc/68/83/98/636688398.db2.gz LJKNGSZVPSHSOO-UHFFFAOYSA-N 1 0 277.408 3.251 20 10 CGCDRO CCc1cccc(C[NH+]2CCC(OC3CCC3)CC2)c1O ZINC000848918178 636691525 /nfs/dbraw/zinc/69/15/25/636691525.db2.gz RKHSMJJPIYGGBS-UHFFFAOYSA-N 1 0 289.419 3.488 20 10 CGCDRO CCC[N@H+](Cc1cc(OC)c(OC)cc1O)C(C)C ZINC000848924212 636696281 /nfs/dbraw/zinc/69/62/81/636696281.db2.gz XPDGMMDUYXVTOR-UHFFFAOYSA-N 1 0 267.369 3.030 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CCC[C@]23CCCO3)cc1C ZINC000883369856 636711640 /nfs/dbraw/zinc/71/16/40/636711640.db2.gz BACQAPXIBYLVKW-SJORKVTESA-N 1 0 275.392 3.195 20 10 CGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)c3cccnc3)C2)cc1 ZINC000849323507 636809979 /nfs/dbraw/zinc/80/99/79/636809979.db2.gz YSGSLXMWXVJWEM-GDBMZVCRSA-N 1 0 297.402 3.020 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCc3cc(N)ccc32)c1 ZINC000849352532 636817572 /nfs/dbraw/zinc/81/75/72/636817572.db2.gz NQLLJOFQMVONOG-MRXNPFEDSA-N 1 0 268.360 3.060 20 10 CGCDRO CC[C@@H]([NH2+]CCOC1CCCC1)c1ccccc1O ZINC000108942637 636894525 /nfs/dbraw/zinc/89/45/25/636894525.db2.gz FHZPFELHZKIFHQ-OAHLLOKOSA-N 1 0 263.381 3.392 20 10 CGCDRO CCCn1nccc1C[NH2+]CCCSc1nccs1 ZINC000850146136 636968005 /nfs/dbraw/zinc/96/80/05/636968005.db2.gz QQLIAHPHVLPPFG-UHFFFAOYSA-N 1 0 296.465 3.022 20 10 CGCDRO CCOc1cccc(C[NH+]2CCC(C)(C)CC2)c1O ZINC000133938443 636988951 /nfs/dbraw/zinc/98/89/51/636988951.db2.gz PIACWCWSZOYQIX-UHFFFAOYSA-N 1 0 263.381 3.413 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccoc1 ZINC000134070307 636997059 /nfs/dbraw/zinc/99/70/59/636997059.db2.gz CKXWQWGFOCDYLK-LLVKDONJSA-N 1 0 262.328 3.336 20 10 CGCDRO CCOc1cccc(C[NH2+]CCC(C)(C)C)c1O ZINC000134228020 637007189 /nfs/dbraw/zinc/00/71/89/637007189.db2.gz COROWTFOKHZXAT-UHFFFAOYSA-N 1 0 251.370 3.317 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@H](C)c2ccccn2)cc1C ZINC000850342250 637020268 /nfs/dbraw/zinc/02/02/68/637020268.db2.gz JERYJAVZAHCFNG-AWEZNQCLSA-N 1 0 270.376 3.297 20 10 CGCDRO CCOc1cccc(C[NH2+]C[C@H](C)c2ccccn2)c1O ZINC000850342591 637021025 /nfs/dbraw/zinc/02/10/25/637021025.db2.gz TZENXNIRDIOYIJ-ZDUSSCGKSA-N 1 0 286.375 3.079 20 10 CGCDRO Oc1ccccc1C[NH2+][C@H]1CSc2ccccc21 ZINC000134763887 637037492 /nfs/dbraw/zinc/03/74/92/637037492.db2.gz XADZQYDQWKHMLG-ZDUSSCGKSA-N 1 0 257.358 3.329 20 10 CGCDRO CCOc1ccc(C[NH2+][C@@](C)(CC)C2CC2)c(O)c1 ZINC000850384534 637041692 /nfs/dbraw/zinc/04/16/92/637041692.db2.gz WWAKJKDNKWBDCQ-INIZCTEOSA-N 1 0 263.381 3.459 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCc3ccc(O)cc32)cc1C ZINC000850387631 637043400 /nfs/dbraw/zinc/04/34/00/637043400.db2.gz WSKVNQOLWHICBG-QGZVFWFLSA-N 1 0 283.371 3.492 20 10 CGCDRO CCOc1cccc(C[NH2+]C[C@H]2C(C)(C)C2(F)F)c1O ZINC000850394645 637046352 /nfs/dbraw/zinc/04/63/52/637046352.db2.gz XTGQQDCNFWOLAW-LBPRGKRZSA-N 1 0 285.334 3.172 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2C(C)(C)C2(F)F)cc1C ZINC000850394408 637046908 /nfs/dbraw/zinc/04/69/08/637046908.db2.gz QAVPARAYQWZAQH-CYBMUJFWSA-N 1 0 269.335 3.390 20 10 CGCDRO COc1ccc(N2CCC([NH2+][C@@]3(C)CC3(C)C)CC2)cc1 ZINC000850400003 637048790 /nfs/dbraw/zinc/04/87/90/637048790.db2.gz XDLCKJAYAIHGJH-SFHVURJKSA-N 1 0 288.435 3.442 20 10 CGCDRO COc1cccc(C[NH2+]Cc2cc(C)ccc2O)c1C ZINC000850416100 637054220 /nfs/dbraw/zinc/05/42/20/637054220.db2.gz AVYYBHJZGPNQOQ-UHFFFAOYSA-N 1 0 271.360 3.307 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1COC(C)(C)C1)c1ccc(N(C)C)cc1 ZINC000850482038 637085500 /nfs/dbraw/zinc/08/55/00/637085500.db2.gz MGHHGELMHHIHRF-GOEBONIOSA-N 1 0 276.424 3.361 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+][C@H](C)C(C)(C)C)C2)cc1 ZINC000850489277 637089022 /nfs/dbraw/zinc/08/90/22/637089022.db2.gz SMRBYFXXBLGJJG-KGLIPLIRSA-N 1 0 276.424 3.298 20 10 CGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)CC3CCC3)C2)cc1 ZINC000850489099 637089145 /nfs/dbraw/zinc/08/91/45/637089145.db2.gz QTOIBTXHQHDGFO-GDBMZVCRSA-N 1 0 288.435 3.442 20 10 CGCDRO CC[C@@H](O)C[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1O ZINC000850529238 637107816 /nfs/dbraw/zinc/10/78/16/637107816.db2.gz OXNJPSGTUPXHHC-PWSUYJOCSA-N 1 0 291.313 3.223 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1COc2cc(F)ccc2C1)c1ccccc1O ZINC000850536316 637112840 /nfs/dbraw/zinc/11/28/40/637112840.db2.gz FIBMPJNNMDVCRC-RISCZKNCSA-N 1 0 287.334 3.186 20 10 CGCDRO CC[C@H]([NH2+]Cc1c(C2CC2)cnn1C)c1ccccc1O ZINC000850535707 637112981 /nfs/dbraw/zinc/11/29/81/637112981.db2.gz ZQMFFTKOTYQSLK-HNNXBMFYSA-N 1 0 285.391 3.244 20 10 CGCDRO COc1ccnc(C[NH2+][C@@H](C)c2ccc(C)cc2O)c1F ZINC000850538299 637114001 /nfs/dbraw/zinc/11/40/01/637114001.db2.gz YBHYGSZKTVUBHS-NSHDSACASA-N 1 0 290.338 3.094 20 10 CGCDRO C[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)c1nccn1C ZINC000850571782 637128793 /nfs/dbraw/zinc/12/87/93/637128793.db2.gz AOOMZXZTIGOKDN-SCVCMEIPSA-N 1 0 289.354 3.164 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1O)c1nccn1C ZINC000850573164 637129376 /nfs/dbraw/zinc/12/93/76/637129376.db2.gz VMUFLOXIQBYDTL-VHSXEESVSA-N 1 0 279.771 3.191 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](C)c2nccn2C)cc1 ZINC000850572962 637129983 /nfs/dbraw/zinc/12/99/83/637129983.db2.gz RJOTZDLAUGGXIU-KGLIPLIRSA-N 1 0 286.423 3.288 20 10 CGCDRO CC(C)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000109761391 637265750 /nfs/dbraw/zinc/26/57/50/637265750.db2.gz RQSVSRPQEBYRLD-OAHLLOKOSA-N 1 0 263.381 3.029 20 10 CGCDRO C[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1c([O-])cccc1F ZINC000886498908 637543034 /nfs/dbraw/zinc/54/30/34/637543034.db2.gz UPVFFRUWXFGNJU-BONVTDFDSA-N 1 0 293.313 3.055 20 10 CGCDRO CCc1nocc1C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000851949472 637556418 /nfs/dbraw/zinc/55/64/18/637556418.db2.gz FEEZEPDFZBSCCK-LBPRGKRZSA-N 1 0 273.380 3.154 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]Cc2cc(C3CC3)no2)c1O ZINC000886684854 637650767 /nfs/dbraw/zinc/65/07/67/637650767.db2.gz UOKOAQVTUVXECL-SNVBAGLBSA-N 1 0 288.347 3.117 20 10 CGCDRO Cc1cc(C[N@H+]2CCCC[C@H]2[C@H](C)CO)ccc1N(C)C ZINC000852428749 637652389 /nfs/dbraw/zinc/65/23/89/637652389.db2.gz WCUBNTJTTRLQOS-QAPCUYQASA-N 1 0 290.451 3.044 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1CC2(CCC2)CO1)c1cc(F)ccc1O ZINC000886701687 637665014 /nfs/dbraw/zinc/66/50/14/637665014.db2.gz UQENBGFCMZQJBW-WCQYABFASA-N 1 0 279.355 3.141 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1O)C1CC1 ZINC000852555106 637678713 /nfs/dbraw/zinc/67/87/13/637678713.db2.gz JKUSDOJOKBZMIN-CQSZACIVSA-N 1 0 265.328 3.012 20 10 CGCDRO CO[C@@H](CN1CCCc2cc(C[NH3+])ccc21)C1CCCC1 ZINC000852741667 637703719 /nfs/dbraw/zinc/70/37/19/637703719.db2.gz YZAGMMOSBZXUBH-SFHVURJKSA-N 1 0 288.435 3.103 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCc3cc(N)ccc32)c1 ZINC000854225593 638027204 /nfs/dbraw/zinc/02/72/04/638027204.db2.gz IJBFCCBPIBOERU-GTNSWQLSSA-N 1 0 298.386 3.321 20 10 CGCDRO C[NH2+]C[C@H](C)N[C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000854231466 638028698 /nfs/dbraw/zinc/02/86/98/638028698.db2.gz DQBHBQAAGQUBKW-KBPBESRZSA-N 1 0 293.430 3.075 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]CC[C@H]2CC2(F)F)c1O ZINC000857080940 638453963 /nfs/dbraw/zinc/45/39/63/638453963.db2.gz LVXZYSYDWXQUQY-UWVGGRQHSA-N 1 0 271.307 3.097 20 10 CGCDRO CC[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1ccc(F)cc1[O-] ZINC000925842209 638630029 /nfs/dbraw/zinc/63/00/29/638630029.db2.gz YJMOXOIOYNZXCB-USXIJHARSA-N 1 0 292.398 3.104 20 10 CGCDRO Cc1cc(C[NH2+][C@@H](C)Cc2ccc(N(C)C)cc2C)ccn1 ZINC000858179814 638651110 /nfs/dbraw/zinc/65/11/10/638651110.db2.gz URYVSWDPSSHVCF-INIZCTEOSA-N 1 0 297.446 3.485 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2cc(F)ccc2C)c1 ZINC000858238691 638661760 /nfs/dbraw/zinc/66/17/60/638661760.db2.gz BVNAMJCZASWJCB-UHFFFAOYSA-N 1 0 259.324 3.438 20 10 CGCDRO CC(C)CC[C@@H](CO)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000858241252 638662714 /nfs/dbraw/zinc/66/27/14/638662714.db2.gz NHXCXOXILXEJCW-OSJSJHBBSA-N 1 0 290.451 3.153 20 10 CGCDRO COc1cccc(O)c1C[NH2+]CC[C@@H]1CC=CCC1 ZINC000858271823 638669919 /nfs/dbraw/zinc/66/99/19/638669919.db2.gz MWMILOGZQWHCMP-CYBMUJFWSA-N 1 0 261.365 3.237 20 10 CGCDRO Cc1cccc2c1C[C@@H]([NH2+][C@@H](C)c1ccccc1O)CO2 ZINC000858463144 638725665 /nfs/dbraw/zinc/72/56/65/638725665.db2.gz VCINTNOUJJXFFV-UONOGXRCSA-N 1 0 283.371 3.355 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](CO)CCC(C)C)c(O)c1 ZINC000858486252 638737705 /nfs/dbraw/zinc/73/77/05/638737705.db2.gz SKYXYJWCNUSHBA-ZIAGYGMSSA-N 1 0 265.397 3.148 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc(Cl)cc1[O-] ZINC000858491662 638742769 /nfs/dbraw/zinc/74/27/69/638742769.db2.gz MTIKUDJLTKDUFD-STQMWFEESA-N 1 0 296.842 3.428 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc[nH]c1=O)c1ccc(N(C)C)cc1 ZINC000858563750 638762300 /nfs/dbraw/zinc/76/23/00/638762300.db2.gz ZBJRAEMNLWAVOP-MRXNPFEDSA-N 1 0 285.391 3.094 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2c3ccccc3CC[C@H]2O)c(O)c1 ZINC000927142231 638847162 /nfs/dbraw/zinc/84/71/62/638847162.db2.gz ZTLVOPMUEWCWBT-IRWQIABSSA-N 1 0 297.398 3.400 20 10 CGCDRO C[C@@H]([NH2+]C1([C@H]2CCCCO2)CC1)c1ccccc1O ZINC000927158561 638848524 /nfs/dbraw/zinc/84/85/24/638848524.db2.gz BPCFSZBMZYQSRK-IUODEOHRSA-N 1 0 261.365 3.145 20 10 CGCDRO COc1ccc(C[NH2+][C@H](C)Cc2cccnc2)cc1C ZINC000934227283 639563595 /nfs/dbraw/zinc/56/35/95/639563595.db2.gz OGFJFFAOYWKJRQ-CQSZACIVSA-N 1 0 270.376 3.119 20 10 CGCDRO C[C@@H]([NH2+]CCOc1ccccc1)c1ccc(N(C)C)cc1 ZINC000042894815 639922260 /nfs/dbraw/zinc/92/22/60/639922260.db2.gz WPYFVKVRNQGLOD-OAHLLOKOSA-N 1 0 284.403 3.482 20 10 CGCDRO CC[C@H]([NH2+]CCN(C)C(C)C)c1ccc(N(C)C)cc1 ZINC000155763550 639948502 /nfs/dbraw/zinc/94/85/02/639948502.db2.gz VMERDQSPCCNLDG-KRWDZBQOSA-N 1 0 277.456 3.134 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H]2CC(C)C)cc1OC ZINC000160058200 640088527 /nfs/dbraw/zinc/08/85/27/640088527.db2.gz BZLCWYDBCNJMTO-AWEZNQCLSA-N 1 0 293.407 3.420 20 10 CGCDRO C[C@@H]([NH2+]CC1(CCO)CC1)c1cc2c(cc1O)CCCC2 ZINC000188057798 640117099 /nfs/dbraw/zinc/11/70/99/640117099.db2.gz SNUHVKRUWAXHFR-CYBMUJFWSA-N 1 0 289.419 3.084 20 10 CGCDRO Oc1ccc(Br)cc1C[NH2+]CCCC1CC1 ZINC000076767968 640216234 /nfs/dbraw/zinc/21/62/34/640216234.db2.gz XJGARWKRRCRARA-UHFFFAOYSA-N 1 0 284.197 3.435 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](CO)Cc2ccccc2C)c(O)c1 ZINC000191556443 640319349 /nfs/dbraw/zinc/31/93/49/640319349.db2.gz PYJFPYIYLKHDQD-DOTOQJQBSA-N 1 0 299.414 3.263 20 10 CGCDRO Oc1ccccc1C[N@H+](Cc1cocn1)C1CCCC1 ZINC000191942241 640340428 /nfs/dbraw/zinc/34/04/28/640340428.db2.gz NZJMPPXMXZNVOS-UHFFFAOYSA-N 1 0 272.348 3.325 20 10 CGCDRO CCC[C@@](C)(CO)[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC000083469665 640597326 /nfs/dbraw/zinc/59/73/26/640597326.db2.gz WLVHHNLDMRHLQC-KRWDZBQOSA-N 1 0 278.440 3.174 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)c1 ZINC000246091920 640656988 /nfs/dbraw/zinc/65/69/88/640656988.db2.gz CLMPPNWQURMGDB-YOEHRIQHSA-N 1 0 299.418 3.289 20 10 CGCDRO C[N@H+](CCC1CC1)Cc1cc(Br)ccc1O ZINC000092067034 640730553 /nfs/dbraw/zinc/73/05/53/640730553.db2.gz DQZRWDWPDHUPPB-UHFFFAOYSA-N 1 0 284.197 3.387 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)[C@H](C)C1 ZINC000092762395 640744098 /nfs/dbraw/zinc/74/40/98/640744098.db2.gz MXMMBFKBLDODAJ-HZPDHXFCSA-N 1 0 288.435 3.144 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](C)N2CCC[C@@H](C)C2)c(O)c1 ZINC000248533481 640766392 /nfs/dbraw/zinc/76/63/92/640766392.db2.gz ZETVIJSWXYFOPS-OAGGEKHMSA-N 1 0 290.451 3.472 20 10 CGCDRO CCCC[N@H+](CCOC)Cc1ccc(N(C)C)cc1 ZINC000093322961 640768214 /nfs/dbraw/zinc/76/82/14/640768214.db2.gz IPMPURLLTMANEK-UHFFFAOYSA-N 1 0 264.413 3.001 20 10 CGCDRO CCOc1ccc(O)c(C[NH+]2C[C@@H]3CCCC[C@H]3C2)c1 ZINC000093442151 640770290 /nfs/dbraw/zinc/77/02/90/640770290.db2.gz YYJPCFVSMXPDMQ-KBPBESRZSA-N 1 0 275.392 3.413 20 10 CGCDRO CCOc1cccc(C[NH+](CC2CC2)CC2CC2)c1O ZINC000093480097 640772834 /nfs/dbraw/zinc/77/28/34/640772834.db2.gz RBPCJRQXJOPLAM-UHFFFAOYSA-N 1 0 275.392 3.413 20 10 CGCDRO COc1cccc(C[NH2+][C@@H]2CC[C@H](C)[C@H](C)C2)c1O ZINC000251780891 640832740 /nfs/dbraw/zinc/83/27/40/640832740.db2.gz LDBLHXWHFJTUHN-OUCADQQQSA-N 1 0 263.381 3.315 20 10 CGCDRO C[C@H]([NH2+]CC1(CO)CC1)c1ccc(N2CCCCC2)cc1 ZINC000305111940 640882897 /nfs/dbraw/zinc/88/28/97/640882897.db2.gz DEKPISDYIJUODJ-HNNXBMFYSA-N 1 0 288.435 3.100 20 10 CGCDRO CCCCC[C@@H](O)C[N@H+](CC)Cc1ccccc1O ZINC001253538607 806241629 /nfs/dbraw/zinc/24/16/29/806241629.db2.gz QXBNDJAVNGDDTJ-OAHLLOKOSA-N 1 0 265.397 3.155 20 10 CGCDRO COc1cc(C[N@H+](C)[C@H]2CC[C@@H](SC)C2)c(O)cc1C ZINC001253980998 806325421 /nfs/dbraw/zinc/32/54/21/806325421.db2.gz KOMUHQGLYCEWLH-UONOGXRCSA-N 1 0 295.448 3.425 20 10 CGCDRO COc1cc(C[N@H+](C)[C@@H]2CC[C@H](SC)C2)c(O)cc1C ZINC001253980997 806325287 /nfs/dbraw/zinc/32/52/87/806325287.db2.gz KOMUHQGLYCEWLH-KGLIPLIRSA-N 1 0 295.448 3.425 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]CCC2CCOCC2)c2c1c(F)ccc2O ZINC001254722096 806487131 /nfs/dbraw/zinc/48/71/31/806487131.db2.gz YUSJXQRQXGLUHJ-RISCZKNCSA-N 1 0 293.382 3.486 20 10 CGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]CCCc1cnn(C)c1 ZINC001254722031 806487181 /nfs/dbraw/zinc/48/71/81/806487181.db2.gz XTMKRURYSOFNEL-DZGCQCFKSA-N 1 0 299.418 3.205 20 10 CGCDRO C[C@H]([NH2+]C1C[C@@H]2CC(=O)C[C@H]2C1)c1ccc(N(C)C)cc1 ZINC001254929566 806510153 /nfs/dbraw/zinc/51/01/53/806510153.db2.gz USYBNEWRSOEFAK-NWANDNLSSA-N 1 0 286.419 3.161 20 10 CGCDRO Oc1cc2c(cc1O)C[N@@H+](C1Cc3ccccc3C1)CCC2 ZINC001255025494 806527896 /nfs/dbraw/zinc/52/78/96/806527896.db2.gz DMKQGSYWJWQGIJ-UHFFFAOYSA-N 1 0 295.382 3.013 20 10 CGCDRO C[C@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000037253868 798863317 /nfs/dbraw/zinc/86/33/17/798863317.db2.gz NUOMJCOSSINCEP-DOTOQJQBSA-N 1 0 288.435 3.192 20 10 CGCDRO COc1ccc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000037235976 798864278 /nfs/dbraw/zinc/86/42/78/798864278.db2.gz QPYUGBATCLDZMO-CYBMUJFWSA-N 1 0 285.391 3.007 20 10 CGCDRO CC(=O)c1cc(F)cc(C[N@H+]2CCCC[C@@H]2C)c1O ZINC000037322558 798866703 /nfs/dbraw/zinc/86/67/03/798866703.db2.gz RIWLYPNQWWCUBX-JTQLQIEISA-N 1 0 265.328 3.108 20 10 CGCDRO COc1cccc(C[NH2+]CC(C)(C)c2ccccc2)c1O ZINC000037934775 798879418 /nfs/dbraw/zinc/87/94/18/798879418.db2.gz NDNDMSYTKRFIEZ-UHFFFAOYSA-N 1 0 285.387 3.468 20 10 CGCDRO CC[C@H]([NH2+]C[C@H]1Cc2ccccc2O1)c1ccccc1O ZINC000038009342 798883163 /nfs/dbraw/zinc/88/31/63/798883163.db2.gz MDLKPGHUYSIWKG-ZBFHGGJFSA-N 1 0 283.371 3.437 20 10 CGCDRO C[C@@H](CC(F)(F)F)[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001255663085 806699049 /nfs/dbraw/zinc/69/90/49/806699049.db2.gz XVXFQKLPKCEDQB-VIFPVBQESA-N 1 0 289.297 3.187 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]C[C@H]2Cc3ccccc32)c1 ZINC000071407989 798916938 /nfs/dbraw/zinc/91/69/38/798916938.db2.gz RHHHXPIHPJEPDN-CQSZACIVSA-N 1 0 253.345 3.130 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H]2CCc3ccccc3C2)c1 ZINC000071409119 798917302 /nfs/dbraw/zinc/91/73/02/798917302.db2.gz IJIYXMIKHOYCRU-KRWDZBQOSA-N 1 0 267.372 3.348 20 10 CGCDRO COc1ccc(C[NH+]2C[C@H]3CCCC[C@@H]3C2)c(O)c1 ZINC000093442224 798963408 /nfs/dbraw/zinc/96/34/08/798963408.db2.gz VUAWNKBGWRGSMK-CHWSQXEVSA-N 1 0 261.365 3.023 20 10 CGCDRO CCc1nc(C[NH2+]Cc2cc(C)ccc2O)cs1 ZINC000113339734 798984501 /nfs/dbraw/zinc/98/45/01/798984501.db2.gz JTFMAHVVSLXYCT-UHFFFAOYSA-N 1 0 262.378 3.009 20 10 CGCDRO COc1cccc(C[N@@H+]2C[C@H](C)C[C@H](C)[C@@H]2C)c1O ZINC000168237006 799085499 /nfs/dbraw/zinc/08/54/99/799085499.db2.gz CZVWNIIBPMGVNP-AGIUHOORSA-N 1 0 263.381 3.267 20 10 CGCDRO C[C@H]([NH2+]CC1(CO)CCC1)c1cc2c(cc1O)CCCC2 ZINC000186547374 799117645 /nfs/dbraw/zinc/11/76/45/799117645.db2.gz QMWMQBHIMMHJGG-ZDUSSCGKSA-N 1 0 289.419 3.084 20 10 CGCDRO Oc1cccc(Cl)c1C[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000310725014 799222611 /nfs/dbraw/zinc/22/26/11/799222611.db2.gz SXRBZSAPWFQQEF-MRVPVSSYSA-N 1 0 279.689 3.430 20 10 CGCDRO CCC[C@@H](C[NH2+]Cc1ccc(N(CC)CC)cc1)OC ZINC000378808448 799343531 /nfs/dbraw/zinc/34/35/31/799343531.db2.gz XEUKSWYCTAHEBT-KRWDZBQOSA-N 1 0 278.440 3.438 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)[C@@H]1CCCCO1 ZINC000379285563 799349610 /nfs/dbraw/zinc/34/96/10/799349610.db2.gz GUYDNIBVNHYAKT-KSSFIOAISA-N 1 0 288.435 3.116 20 10 CGCDRO CC1(C)CC([NH2+]Cc2cc(Br)ccc2O)C1 ZINC000381761886 799386977 /nfs/dbraw/zinc/38/69/77/799386977.db2.gz UEGQBDCXQVVODV-UHFFFAOYSA-N 1 0 284.197 3.433 20 10 CGCDRO CC(C)(C)C(C)(C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000381919498 799389551 /nfs/dbraw/zinc/38/95/51/799389551.db2.gz USWRDCLCUMOSLY-UHFFFAOYSA-N 1 0 265.353 3.035 20 10 CGCDRO C[N@H+](Cc1cc(Br)ccc1O)C(C)(C)C ZINC000381906489 799389776 /nfs/dbraw/zinc/38/97/76/799389776.db2.gz FCRQCEDOWOEEOH-UHFFFAOYSA-N 1 0 272.186 3.385 20 10 CGCDRO Nc1ccc(C[NH+]2CCC(OCc3ccccc3)CC2)cc1 ZINC000383938705 799409608 /nfs/dbraw/zinc/40/96/08/799409608.db2.gz JZQOPIPXHDVUTC-UHFFFAOYSA-N 1 0 296.414 3.450 20 10 CGCDRO CO[C@@](C)(C[NH2+]Cc1ccccc1O)c1ccccc1 ZINC000384329006 799415195 /nfs/dbraw/zinc/41/51/95/799415195.db2.gz TUSIFHWCQYZLKZ-KRWDZBQOSA-N 1 0 271.360 3.044 20 10 CGCDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000384314623 799415279 /nfs/dbraw/zinc/41/52/79/799415279.db2.gz RVNPQZGFRNDZOB-ZUZCIYMTSA-N 1 0 279.355 3.354 20 10 CGCDRO Cc1c2ccccc2n(C)c1C[NH2+]CCC1CCOCC1 ZINC000385086106 799422016 /nfs/dbraw/zinc/42/20/16/799422016.db2.gz JMRVUCMRGDRWLC-UHFFFAOYSA-N 1 0 286.419 3.393 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H](C(F)(F)F)C2)c1 ZINC000385550188 799427320 /nfs/dbraw/zinc/42/73/20/799427320.db2.gz PRQWYQYICDZBDR-NSHDSACASA-N 1 0 259.271 3.085 20 10 CGCDRO CCC[C@H](C[NH2+][C@@H](C)c1cc(C)ccc1O)OC ZINC000386043134 799430493 /nfs/dbraw/zinc/43/04/93/799430493.db2.gz FCDDIBCROHKQJS-QWHCGFSZSA-N 1 0 251.370 3.166 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]C[C@H]1CCCC1(F)F ZINC000390650356 799472760 /nfs/dbraw/zinc/47/27/60/799472760.db2.gz NISHFVHIMCCHNX-SNVBAGLBSA-N 1 0 259.271 3.056 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@H]1CCCC1(F)F)CC2 ZINC000390855362 799475342 /nfs/dbraw/zinc/47/53/42/799475342.db2.gz JIGWAXBXBBRTDE-NEPJUHHUSA-N 1 0 267.319 3.405 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+][C@H]1CC12CCCC2 ZINC000395631280 799505709 /nfs/dbraw/zinc/50/57/09/799505709.db2.gz CNJUIIDYNSKMRK-ZDUSSCGKSA-N 1 0 251.757 3.468 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CS[C@H](C)C1)c1cc(F)ccc1O ZINC000397867515 799521926 /nfs/dbraw/zinc/52/19/26/799521926.db2.gz AONXWBDGZUJZPK-FXPVBKGRSA-N 1 0 255.358 3.076 20 10 CGCDRO C[C@H]([NH2+][C@H]1CS[C@H](C)C1)c1cc(F)ccc1O ZINC000397867523 799522210 /nfs/dbraw/zinc/52/22/10/799522210.db2.gz AONXWBDGZUJZPK-WCABBAIRSA-N 1 0 255.358 3.076 20 10 CGCDRO C[C@H]1CC[C@H](C[NH2+]Cc2ccc(N3CCCCC3)cc2)O1 ZINC000398089464 799525194 /nfs/dbraw/zinc/52/51/94/799525194.db2.gz RFPQHDVMHMMRQA-MAUKXSAKSA-N 1 0 288.435 3.334 20 10 CGCDRO COc1cc(Cl)cc(C[NH+]2C3CCC2CC3)c1O ZINC000398882320 799532950 /nfs/dbraw/zinc/53/29/50/799532950.db2.gz DWORRIIDFSYMPP-UHFFFAOYSA-N 1 0 267.756 3.181 20 10 CGCDRO CCOc1cccc(C[N@@H+]2C[C@H](C)[C@@H](C)[C@@H]2C)c1O ZINC000399625465 799539826 /nfs/dbraw/zinc/53/98/26/799539826.db2.gz SOEAILJQPCQSSJ-XQQFMLRXSA-N 1 0 263.381 3.267 20 10 CGCDRO COc1ccc(C[NH2+]Cc2csc(C)c2C)c(O)c1 ZINC000399779094 799541956 /nfs/dbraw/zinc/54/19/56/799541956.db2.gz SFXCACKJAXLJRV-UHFFFAOYSA-N 1 0 277.389 3.369 20 10 CGCDRO CC[N@H+](Cc1cc(Cl)cc(OC)c1O)[C@@H]1CCCOC1 ZINC000402731569 799564248 /nfs/dbraw/zinc/56/42/48/799564248.db2.gz KNWDQQFLBJVDBR-CYBMUJFWSA-N 1 0 299.798 3.055 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCC[C@H](C)O2)c1 ZINC000688879400 799756913 /nfs/dbraw/zinc/75/69/13/799756913.db2.gz OYKNQHSUDNGBBV-MELADBBJSA-N 1 0 263.381 3.309 20 10 CGCDRO C[C@H]1CCC[C@@H](C[NH2+]Cc2c(O)cccc2Cl)O1 ZINC000688900972 799758062 /nfs/dbraw/zinc/75/80/62/799758062.db2.gz QBVMNECRGFRJEQ-QWRGUYRKSA-N 1 0 269.772 3.093 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1CCC[C@@H](C)O1)c1ccc(N(C)C)cc1 ZINC000688881014 799758179 /nfs/dbraw/zinc/75/81/79/799758179.db2.gz VIEIIOOEJGIZNC-KEYYUXOJSA-N 1 0 276.424 3.361 20 10 CGCDRO C[C@H]1CC[C@H]([NH2+]Cc2ccc(N(C)C)cc2)CS1 ZINC000689480731 799764511 /nfs/dbraw/zinc/76/45/11/799764511.db2.gz DXZKBUIEWQVCJW-JSGCOSHPSA-N 1 0 264.438 3.126 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCc2cccc(C)n2)c(O)c1 ZINC000689465986 799764818 /nfs/dbraw/zinc/76/48/18/799764818.db2.gz VWAMTPPWCUVFPN-AWEZNQCLSA-N 1 0 270.376 3.297 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCc2ccc(C)o2)c1 ZINC000689854094 799769969 /nfs/dbraw/zinc/76/99/69/799769969.db2.gz LCUZNYNLVPCZIS-GFCCVEGCSA-N 1 0 275.348 3.196 20 10 CGCDRO CCC[C@@]1([NH2+]Cc2cccc(CC)c2O)CCOC1 ZINC000691520947 799785300 /nfs/dbraw/zinc/78/53/00/799785300.db2.gz DKKZUNJFQQSIIM-MRXNPFEDSA-N 1 0 263.381 3.003 20 10 CGCDRO CCc1cccc(C[NH2+]CC2(SC)CCC2)c1O ZINC000691501656 799785756 /nfs/dbraw/zinc/78/57/56/799785756.db2.gz YDYGVPMPQGGBCQ-UHFFFAOYSA-N 1 0 265.422 3.330 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@]23C[C@H]2CCC3)c1 ZINC000693631266 799813514 /nfs/dbraw/zinc/81/35/14/799813514.db2.gz PKUVTJNBPLUMNA-OZVIIMIRSA-N 1 0 261.365 3.242 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCC2SCCS2)c1 ZINC000693775522 799813625 /nfs/dbraw/zinc/81/36/25/799813625.db2.gz FLVPVNAPVMDPDX-SNVBAGLBSA-N 1 0 299.461 3.248 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](C(C)C)C2)c1 ZINC000694455041 799822070 /nfs/dbraw/zinc/82/20/70/799822070.db2.gz MVBFIRMMIGJMNV-ZDUSSCGKSA-N 1 0 263.381 3.269 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCC(F)(F)C2)cc1 ZINC000695119470 799826373 /nfs/dbraw/zinc/82/63/73/799826373.db2.gz MIICAROZSVWWJK-CYBMUJFWSA-N 1 0 268.351 3.420 20 10 CGCDRO COc1cccc(C[NH2+][C@H]2CCCC(F)(F)C2)c1O ZINC000695126949 799826869 /nfs/dbraw/zinc/82/68/69/799826869.db2.gz PBYADEQFXPMVJA-NSHDSACASA-N 1 0 271.307 3.068 20 10 CGCDRO CCC(C)(C)[C@@H](C)[NH2+]Cc1cc(OC)ccc1O ZINC000695142406 799827295 /nfs/dbraw/zinc/82/72/95/799827295.db2.gz VAIXEXRGPXMIOR-LLVKDONJSA-N 1 0 251.370 3.315 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2cscn2)c1 ZINC000700444507 799872174 /nfs/dbraw/zinc/87/21/74/799872174.db2.gz RXXLTCDITVIKSI-VHSXEESVSA-N 1 0 278.377 3.269 20 10 CGCDRO [NH3+]Cc1ccc2c(c1)CCCN2CCCCCF ZINC000700881510 799883498 /nfs/dbraw/zinc/88/34/98/799883498.db2.gz WDTOCNGTAXEWSE-UHFFFAOYSA-N 1 0 250.361 3.038 20 10 CGCDRO CC(C)O[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000701717408 799892642 /nfs/dbraw/zinc/89/26/42/799892642.db2.gz AGFDNTLGKGUUHI-CYBMUJFWSA-N 1 0 269.772 3.045 20 10 CGCDRO CCc1cccc(C[NH+]2CCC(OC(C)C)CC2)c1O ZINC000702546671 799911288 /nfs/dbraw/zinc/91/12/88/799911288.db2.gz MNYSKPXRIUGJLM-UHFFFAOYSA-N 1 0 277.408 3.344 20 10 CGCDRO CC(C)CC[NH2+]Cc1c(O)cccc1Br ZINC000706842448 799966963 /nfs/dbraw/zinc/96/69/63/799966963.db2.gz KEIIIUJFHXMVFQ-UHFFFAOYSA-N 1 0 272.186 3.290 20 10 CGCDRO [O-]c1c(F)cc(F)cc1C[N@@H+]1CCC[C@@H](CCF)C1 ZINC000708440932 799988292 /nfs/dbraw/zinc/98/82/92/799988292.db2.gz FXVWZLPEISJKOP-JTQLQIEISA-N 1 0 273.298 3.242 20 10 CGCDRO COc1cccc(C[NH2+][C@H](C)[C@]23C[C@H]2CCCC3)c1O ZINC000708842292 799996685 /nfs/dbraw/zinc/99/66/85/799996685.db2.gz YHNZFDKWJAALLB-MRRJBJDNSA-N 1 0 275.392 3.459 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]C[C@H]1CCC2(CCC2)O1 ZINC000711427516 800057053 /nfs/dbraw/zinc/05/70/53/800057053.db2.gz QAKCPUFLUFNWCB-LLVKDONJSA-N 1 0 281.783 3.237 20 10 CGCDRO CO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2O)C12CCC2 ZINC000713496539 800110922 /nfs/dbraw/zinc/11/09/22/800110922.db2.gz NXZLVXUJDDOWCQ-TUKIKUTGSA-N 1 0 261.365 3.000 20 10 CGCDRO Cc1cccc(C[NH2+]CC2C[C@H]3CC[C@@H](C2)S3)c1O ZINC000716003215 800159803 /nfs/dbraw/zinc/15/98/03/800159803.db2.gz XRLOPUAWCRYVIM-LQDVMPOASA-N 1 0 277.433 3.464 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]C[C@@H]2CCC3(CCC3)CO2)c1 ZINC000716606374 800175855 /nfs/dbraw/zinc/17/58/55/800175855.db2.gz BSVNXTAMAIFSDU-HNNXBMFYSA-N 1 0 275.392 3.140 20 10 CGCDRO CC1(C)CO[C@H](CC[NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000717260374 800198926 /nfs/dbraw/zinc/19/89/26/800198926.db2.gz FDOJEDVSWWGTNY-ZIAGYGMSSA-N 1 0 275.392 3.174 20 10 CGCDRO Oc1cc2ccccc2cc1C[NH2+]C1CCN(C2CC2)CC1 ZINC001256071181 806811346 /nfs/dbraw/zinc/81/13/46/806811346.db2.gz QCGYTULCCSJPSJ-UHFFFAOYSA-N 1 0 296.414 3.262 20 10 CGCDRO CC[C@H]([NH2+]Cc1cc(Cl)ccc1O)[C@@H]1CCCOC1 ZINC000723951971 800344838 /nfs/dbraw/zinc/34/48/38/800344838.db2.gz PYWPPGNAERDBLY-RISCZKNCSA-N 1 0 283.799 3.340 20 10 CGCDRO OCC[C@H]([NH2+]Cc1c(O)cccc1Cl)C1CCCC1 ZINC000725126554 800375068 /nfs/dbraw/zinc/37/50/68/800375068.db2.gz RZWREPAEFNIGRL-AWEZNQCLSA-N 1 0 283.799 3.076 20 10 CGCDRO COc1cccc(O)c1C[NH2+]C[C@]1(C)CC1(Cl)Cl ZINC000824766424 800472025 /nfs/dbraw/zinc/47/20/25/800472025.db2.gz ULAGQOYSKPWTMH-LBPRGKRZSA-N 1 0 290.190 3.074 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCO[C@@H](C3CCC3)C2)cc1C ZINC000840175663 800497348 /nfs/dbraw/zinc/49/73/48/800497348.db2.gz LZFKSWPICWBPLZ-QGZVFWFLSA-N 1 0 275.392 3.010 20 10 CGCDRO C[C@]1([NH2+]Cc2cc(F)ccc2O)CCOc2ccccc21 ZINC000897385995 800587270 /nfs/dbraw/zinc/58/72/70/800587270.db2.gz PCJYSGWQYYYVGO-KRWDZBQOSA-N 1 0 287.334 3.319 20 10 CGCDRO COc1cccc2c1CC[C@@H]([NH2+]Cc1cccc(C)c1O)C2 ZINC001256640342 806936309 /nfs/dbraw/zinc/93/63/09/806936309.db2.gz WTQGHWCHYBUYMD-MRXNPFEDSA-N 1 0 297.398 3.356 20 10 CGCDRO COc1cccc2c1CC[C@H]([NH2+]Cc1cccc(C)c1O)C2 ZINC001256640341 806936392 /nfs/dbraw/zinc/93/63/92/806936392.db2.gz WTQGHWCHYBUYMD-INIZCTEOSA-N 1 0 297.398 3.356 20 10 CGCDRO Oc1ccc(C[NH2+][C@@H]2CCO[C@H](c3ccccc3)C2)cc1O ZINC001256791959 806979066 /nfs/dbraw/zinc/97/90/66/806979066.db2.gz GOHSEPBPIMNYMY-QAPCUYQASA-N 1 0 299.370 3.108 20 10 CGCDRO Oc1ccc(C[NH2+][C@H]2CCO[C@H](c3ccccc3)C2)cc1O ZINC001256791960 806979400 /nfs/dbraw/zinc/97/94/00/806979400.db2.gz GOHSEPBPIMNYMY-YJBOKZPZSA-N 1 0 299.370 3.108 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCCC[C@@H]1N(C)C ZINC001118012025 802518972 /nfs/dbraw/zinc/51/89/72/802518972.db2.gz LLZJYWAALOEIHL-MSOLQXFVSA-N 1 0 289.467 3.023 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCC[C@@H](F)C1 ZINC001118201776 802537800 /nfs/dbraw/zinc/53/78/00/802537800.db2.gz MZIUKRBCJXGBIU-CABCVRRESA-N 1 0 264.388 3.431 20 10 CGCDRO CS[C@H]1CC[C@H]([N@H+](C)Cc2ccc(C)cc2O)C1 ZINC001119237385 802636873 /nfs/dbraw/zinc/63/68/73/802636873.db2.gz UVTRQKRBCDGHSI-KBPBESRZSA-N 1 0 265.422 3.417 20 10 CGCDRO c1cc(N2CCCC2)ccc1C[NH2+][C@]12C[C@H]1COC21CCC1 ZINC001119682558 802691502 /nfs/dbraw/zinc/69/15/02/802691502.db2.gz NJCFPIRSHSMUOW-QFBILLFUSA-N 1 0 298.430 3.088 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2ccc(N)cc2)C[C@@H](c2ccccc2)O1 ZINC001120370841 802742683 /nfs/dbraw/zinc/74/26/83/802742683.db2.gz HFCZNANCPHISME-KDOFPFPSSA-N 1 0 282.387 3.231 20 10 CGCDRO CC[N@H+](Cc1ccnc(C)c1)Cc1ccccc1O ZINC001137417078 803731871 /nfs/dbraw/zinc/73/18/71/803731871.db2.gz XUQSNZUVFSTLOT-UHFFFAOYSA-N 1 0 256.349 3.118 20 10 CGCDRO COc1cccc(CC[N@H+](C)Cc2c([O-])cccc2F)c1 ZINC001137839148 803781243 /nfs/dbraw/zinc/78/12/43/803781243.db2.gz TUCZLBBJMAUGQJ-UHFFFAOYSA-N 1 0 289.350 3.214 20 10 CGCDRO Cc1cc(CN2CCO[C@@H](C)C2)c(C)n1-c1ccccc1 ZINC001137856150 803786358 /nfs/dbraw/zinc/78/63/58/803786358.db2.gz RWVUGIQPUYVXNX-HNNXBMFYSA-N 1 0 284.403 3.315 20 10 CGCDRO [O-]c1c(F)cccc1C[N@@H+]1CC[C@](CF)(C(F)(F)F)C1 ZINC001138123801 803862678 /nfs/dbraw/zinc/86/26/78/803862678.db2.gz MBZAFEHRLWKENK-GFCCVEGCSA-N 1 0 295.251 3.255 20 10 CGCDRO F[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)C[C@@H]2C[C@@H]21 ZINC001138215593 803875121 /nfs/dbraw/zinc/87/51/21/803875121.db2.gz KOUWWOKVBLKZEN-RYQLBKOJSA-N 1 0 288.410 3.467 20 10 CGCDRO Cc1c(C[N@H+]2C[C@@H]3C(=O)CCC[C@@H]3C2)c2ccccc2n1C ZINC001138260624 803884101 /nfs/dbraw/zinc/88/41/01/803884101.db2.gz NCJHGNQWZFLGSW-PBHICJAKSA-N 1 0 296.414 3.288 20 10 CGCDRO Cc1c(C[N@@H+]2CCC[C@H]3C[C@H]32)c2ccccc2n1C ZINC001138260145 803885694 /nfs/dbraw/zinc/88/56/94/803885694.db2.gz WMODVHBVYRILLK-SUMWQHHRSA-N 1 0 254.377 3.471 20 10 CGCDRO CN1CCCc2cc(C[NH+]3CC(c4cccnc4)C3)ccc21 ZINC001138356587 803900853 /nfs/dbraw/zinc/90/08/53/803900853.db2.gz REFANHCISMVGAW-UHFFFAOYSA-N 1 0 293.414 3.063 20 10 CGCDRO CCN(CC)c1ccc(C[NH+]2CCSCC2)c(OC)c1 ZINC001138386915 803912719 /nfs/dbraw/zinc/91/27/19/803912719.db2.gz ZWBCQKPMEFGFGH-UHFFFAOYSA-N 1 0 294.464 3.090 20 10 CGCDRO CCN(CC)c1ccc(C[NH+]2CC3CC(C3)C2)c(OC)c1 ZINC001138392088 803913616 /nfs/dbraw/zinc/91/36/16/803913616.db2.gz PMRVLKRJGGHKGS-UHFFFAOYSA-N 1 0 288.435 3.383 20 10 CGCDRO Cc1cc(C[N@@H+]2CC[C@H]3O[C@@H](C)C[C@H]3C2)ccc1N(C)C ZINC001139671152 804247906 /nfs/dbraw/zinc/24/79/06/804247906.db2.gz SQGNYUVBBQQDOL-QILLFSRXSA-N 1 0 288.435 3.060 20 10 CGCDRO CC[N@H+](Cc1ccc(C)nc1)Cc1ccccc1O ZINC001139933271 804329852 /nfs/dbraw/zinc/32/98/52/804329852.db2.gz VBOWJOJWSCIUBP-UHFFFAOYSA-N 1 0 256.349 3.118 20 10 CGCDRO CCCCCC[NH+]1CCN(Cc2cc(F)ccc2O)CC1 ZINC001140055783 804362218 /nfs/dbraw/zinc/36/22/18/804362218.db2.gz UMMJPUDCPJVHLM-UHFFFAOYSA-N 1 0 294.414 3.229 20 10 CGCDRO C[N@H+](Cc1cc(C(F)(F)F)ccn1)Cc1ccccc1O ZINC001140108705 804380448 /nfs/dbraw/zinc/38/04/48/804380448.db2.gz KTCSANFRXDQCRD-UHFFFAOYSA-N 1 0 296.292 3.438 20 10 CGCDRO Oc1cccc(Cl)c1C[N@@H+]1CC[C@H](COCC2CC2)C1 ZINC001140341715 804419791 /nfs/dbraw/zinc/41/97/91/804419791.db2.gz DLJHYGYJJAEKBV-ZDUSSCGKSA-N 1 0 295.810 3.294 20 10 CGCDRO COC(C)(C)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1O ZINC001140466265 804444326 /nfs/dbraw/zinc/44/43/26/804444326.db2.gz DLMXASVCYVCOSD-AWEZNQCLSA-N 1 0 283.799 3.435 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCC(=O)[C@H]3CCCC[C@H]32)c1 ZINC001140617495 804476242 /nfs/dbraw/zinc/47/62/42/804476242.db2.gz REFQFNHRXYKFIM-LSDHHAIUSA-N 1 0 273.376 3.034 20 10 CGCDRO COC(=O)c1cccc(C[N@H+](C)Cc2cc(C)ccc2O)c1 ZINC001140623940 804477815 /nfs/dbraw/zinc/47/78/15/804477815.db2.gz XVUATRQTDMNTPV-UHFFFAOYSA-N 1 0 299.370 3.119 20 10 CGCDRO Cc1ccc(O)c(C[N@H+](C)C[C@H]2Cc3ccccc3O2)c1 ZINC001140624129 804477904 /nfs/dbraw/zinc/47/79/04/804477904.db2.gz HJTYXBNMHVLULX-MRXNPFEDSA-N 1 0 283.371 3.136 20 10 CGCDRO Cc1ccc(O)c(C[N@H+](C2CCC2)C2CCOCC2)c1 ZINC001140624431 804477920 /nfs/dbraw/zinc/47/79/20/804477920.db2.gz WGKMIHWWDIXVSJ-UHFFFAOYSA-N 1 0 275.392 3.234 20 10 CGCDRO Cc1c(O)ccc(C[N@@H+]2CCCC[C@](C)(F)C2)c1O ZINC001140744342 804502572 /nfs/dbraw/zinc/50/25/72/804502572.db2.gz ULNHSPHAEYYOFY-HNNXBMFYSA-N 1 0 267.344 3.120 20 10 CGCDRO Cc1c(O)ccc(C[N@@H+]2CCCC(F)(F)CC2)c1O ZINC001140742738 804503569 /nfs/dbraw/zinc/50/35/69/804503569.db2.gz XIXBFQRKYFVAQV-UHFFFAOYSA-N 1 0 271.307 3.027 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCC[C@@](C)(F)CC2)c(O)c1 ZINC001140948158 804556503 /nfs/dbraw/zinc/55/65/03/804556503.db2.gz VWUZMYUMZRHZLX-OAHLLOKOSA-N 1 0 251.345 3.415 20 10 CGCDRO CCC(CC)[N@H+](C)Cc1ccc2c(c1)OCCN2C ZINC001141143694 804596304 /nfs/dbraw/zinc/59/63/04/804596304.db2.gz GBLAJBJZBKLQED-UHFFFAOYSA-N 1 0 262.397 3.136 20 10 CGCDRO C[C@H]1CC[N@H+](Cc2ccc3c(c2)OCCN3C)[C@@H](C)C1 ZINC001141143543 804596626 /nfs/dbraw/zinc/59/66/26/804596626.db2.gz DAGVYEHAACNLDC-KBPBESRZSA-N 1 0 274.408 3.136 20 10 CGCDRO CN1CCOc2cc(C[N@@H+]3CCCC(F)(F)CC3)ccc21 ZINC001141139974 804596657 /nfs/dbraw/zinc/59/66/57/804596657.db2.gz GIPMSJLDXQEQCH-UHFFFAOYSA-N 1 0 296.361 3.136 20 10 CGCDRO CN1CCOc2cc(C[NH+]3CCCCCCC3)ccc21 ZINC001141143892 804597077 /nfs/dbraw/zinc/59/70/77/804597077.db2.gz MROOMYGKKQMEFB-UHFFFAOYSA-N 1 0 274.408 3.281 20 10 CGCDRO COc1cccc([C@H]2CCC[N@@H+]2Cc2cc(O)ccc2O)c1 ZINC001141161241 804601188 /nfs/dbraw/zinc/60/11/88/804601188.db2.gz PVEGFXDICOKRBD-QGZVFWFLSA-N 1 0 299.370 3.444 20 10 CGCDRO CC[N@H+](Cc1ccc(C)cc1)Cc1cc(O)ccc1O ZINC001141162480 804601388 /nfs/dbraw/zinc/60/13/88/804601388.db2.gz TZROTCGHWAMULL-UHFFFAOYSA-N 1 0 271.360 3.428 20 10 CGCDRO C[C@@H]1C[N@@H+](Cc2cccc(C(C)(C)C)c2O)C[C@H](C)N1C ZINC001143112282 804803422 /nfs/dbraw/zinc/80/34/22/804803422.db2.gz OBMQXPYXOTZLLX-OKILXGFUSA-N 1 0 290.451 3.214 20 10 CGCDRO Cc1ncc(C[N@@H+](C)Cc2cccc(C(C)(C)C)c2O)cn1 ZINC001143111885 804804004 /nfs/dbraw/zinc/80/40/04/804804004.db2.gz HNDWTKCAFWYCJN-UHFFFAOYSA-N 1 0 299.418 3.420 20 10 CGCDRO CN(c1ccc(N)cc1)c1ccc(OCCC[NH+](C)C)cc1 ZINC001248421259 804931255 /nfs/dbraw/zinc/93/12/55/804931255.db2.gz WWJVSTASTXVGGA-UHFFFAOYSA-N 1 0 299.418 3.367 20 10 CGCDRO Cc1cccc([C@H]2CCC[N@@H+]2Cc2c(O)cc(O)cc2O)c1 ZINC001144499817 804996435 /nfs/dbraw/zinc/99/64/35/804996435.db2.gz JYYYUHVIDKWDEW-MRXNPFEDSA-N 1 0 299.370 3.449 20 10 CGCDRO CC(C)(C)c1cc(O)c(C[N@@H+]2CCC[C@@H](O)C2)cc1Cl ZINC001248880826 805030341 /nfs/dbraw/zinc/03/03/41/805030341.db2.gz NNQPMVAWNGSNNJ-GFCCVEGCSA-N 1 0 297.826 3.300 20 10 CGCDRO CC(C)(C)c1cc(O)c(C[N@@H+]2CC[C@](C)(O)C2)cc1Cl ZINC001248880749 805030510 /nfs/dbraw/zinc/03/05/10/805030510.db2.gz MFRACJPZTAUNAS-INIZCTEOSA-N 1 0 297.826 3.300 20 10 CGCDRO C[C@H]1CC[N@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)C1 ZINC001249224304 805115279 /nfs/dbraw/zinc/11/52/79/805115279.db2.gz XDKNZDJNTNMFIK-LBPRGKRZSA-N 1 0 273.376 3.418 20 10 CGCDRO CC1(C)C=Cc2c(O)c(C[N@@H+]3C[C@@H]4C[C@@H]4C3)ccc2O1 ZINC001249230712 805116844 /nfs/dbraw/zinc/11/68/44/805116844.db2.gz REOOVKRPQXXCQK-BETUJISGSA-N 1 0 271.360 3.028 20 10 CGCDRO COc1c(C)ccc(F)c1CN(C)Cc1ccccc1O ZINC001250251923 805522761 /nfs/dbraw/zinc/52/27/61/805522761.db2.gz YBLLAIQLQKJFAC-UHFFFAOYSA-N 1 0 289.350 3.480 20 10 CGCDRO CCOC(=O)CCC[C@@H](C)[NH2+]Cc1c(C)cc(C)cc1O ZINC001258108822 807312584 /nfs/dbraw/zinc/31/25/84/807312584.db2.gz BLQQAISBPVCAGY-CQSZACIVSA-N 1 0 293.407 3.221 20 10 CGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)[C@H]1CCO[C@H](C)C1 ZINC001168138585 807320903 /nfs/dbraw/zinc/32/09/03/807320903.db2.gz AKSAMAIIFKALCR-PBHICJAKSA-N 1 0 276.424 3.142 20 10 CGCDRO CCN(C)c1ccc(CN2C[C@@H](C)[N@H+](CC)C[C@H]2C)cc1 ZINC001168839528 807524384 /nfs/dbraw/zinc/52/43/84/807524384.db2.gz VDNBTPCYVSAKHI-HZPDHXFCSA-N 1 0 289.467 3.057 20 10 CGCDRO CC[C@@H]1C[C@H]([NH2+]Cc2c(C)cc(C)cc2O)CCO1 ZINC001170184975 807788451 /nfs/dbraw/zinc/78/84/51/807788451.db2.gz ZHHNRKJYHBBQQS-ZIAGYGMSSA-N 1 0 263.381 3.056 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H]2CCc3c(F)cccc3C2)c1O ZINC001171412631 808049955 /nfs/dbraw/zinc/04/99/55/808049955.db2.gz YDQQSZFKQVPUIV-OAHLLOKOSA-N 1 0 285.362 3.487 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)[C@@H]2Cc3cccc(F)c3C2)cc1 ZINC001171809288 808145900 /nfs/dbraw/zinc/14/59/00/808145900.db2.gz IVVYQRTXTBRBTM-QGZVFWFLSA-N 1 0 298.405 3.491 20 10 CGCDRO c1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc3c(c1)CCO3)CS2 ZINC001172185460 808191865 /nfs/dbraw/zinc/19/18/65/808191865.db2.gz SHDZKPGWDIZWOS-MRXNPFEDSA-N 1 0 297.423 3.428 20 10 CGCDRO CC(C)OCC[C@@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC001172450186 808322572 /nfs/dbraw/zinc/32/25/72/808322572.db2.gz UYIXTKUNTOKRCV-OLZOCXBDSA-N 1 0 251.370 3.246 20 10 CGCDRO CO[C@H]1CCC[C@@H]([NH2+]Cc2c(C)cc(C)cc2O)C1 ZINC001172926103 808483376 /nfs/dbraw/zinc/48/33/76/808483376.db2.gz OEQPSTSGTBVXIP-KGLIPLIRSA-N 1 0 263.381 3.056 20 10 CGCDRO CC[N@H+](Cc1ccccc1O)[C@H]1CCc2ncsc2C1 ZINC001173143977 808525986 /nfs/dbraw/zinc/52/59/86/808525986.db2.gz QWTAEPQQYGKQCP-ZDUSSCGKSA-N 1 0 288.416 3.228 20 10 CGCDRO Cc1cc(O)c(C[N@H+](C)C[C@@H]2CCCC[C@@H]2O)c(Cl)c1 ZINC001180332818 809994620 /nfs/dbraw/zinc/99/46/20/809994620.db2.gz UPZDKKZEXCVMGM-WFASDCNBSA-N 1 0 297.826 3.337 20 10 CGCDRO C[C@]1(C[NH2+]Cc2ccc(Cl)cc2O)CCO[C@@H]1C1CC1 ZINC001180592110 810012736 /nfs/dbraw/zinc/01/27/36/810012736.db2.gz BSLWUWOWBUKNPJ-HZPDHXFCSA-N 1 0 295.810 3.340 20 10 CGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CC[C@@H](O)CC(C)(C)C2)c1 ZINC001181788511 810071643 /nfs/dbraw/zinc/07/16/43/810071643.db2.gz ZNDPNXLRRDPKKA-MRXNPFEDSA-N 1 0 291.435 3.499 20 10 CGCDRO Cc1ccc(C[NH2+]CC[C@H]2COc3ccccc3O2)c(O)c1 ZINC001182432654 810109637 /nfs/dbraw/zinc/10/96/37/810109637.db2.gz CAWYOHDVZNDOGL-HNNXBMFYSA-N 1 0 299.370 3.020 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+]Cc2ccc(CCO)cc2)c1 ZINC001184218930 810183266 /nfs/dbraw/zinc/18/32/66/810183266.db2.gz QRKROYSUJFDSOG-UHFFFAOYSA-N 1 0 299.414 3.340 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C2([C@H]3CCCCO3)CCC2)cc1 ZINC001197222653 811406144 /nfs/dbraw/zinc/40/61/44/811406144.db2.gz ZMJSOYVTGUNENF-QGZVFWFLSA-N 1 0 288.435 3.334 20 10 CGCDRO CCOc1ccc(N2CC[NH+](C[C@@H](C)CC)CC2)cc1 ZINC001201517108 811880085 /nfs/dbraw/zinc/88/00/85/811880085.db2.gz LNTKHFVEBPIZRQ-HNNXBMFYSA-N 1 0 276.424 3.253 20 10 CGCDRO CC[N@H+](CCCSC)Cc1ccc(N(C)C)cc1 ZINC001201698231 811938845 /nfs/dbraw/zinc/93/88/45/811938845.db2.gz ZWISBOABXWISQK-UHFFFAOYSA-N 1 0 266.454 3.328 20 10 CGCDRO Oc1cc2c(cc1O)C[N@H+](CCCC(F)(F)F)CCC2 ZINC001202433975 812092076 /nfs/dbraw/zinc/09/20/76/812092076.db2.gz XIWMQSQLDAPOKI-UHFFFAOYSA-N 1 0 289.297 3.189 20 10 CGCDRO Cc1ccnc(C[NH2+]C/C=C\c2ccc(N(C)C)cc2)c1 ZINC001203521122 812381877 /nfs/dbraw/zinc/38/18/77/812381877.db2.gz DPRRTQFZKHDASK-PLNGDYQASA-N 1 0 281.403 3.259 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CCCC[C@H]2CCOC)c1O ZINC001203609410 812405245 /nfs/dbraw/zinc/40/52/45/812405245.db2.gz RFOUMQNDAADCHL-HNNXBMFYSA-N 1 0 293.407 3.182 20 10 CGCDRO C[N@H+](Cc1ccc(Cl)cc1)Cc1ccc(O)c(O)c1 ZINC001203882776 812479279 /nfs/dbraw/zinc/47/92/79/812479279.db2.gz VFZVSGNEBHDKGA-UHFFFAOYSA-N 1 0 277.751 3.383 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H](C)[C@@H](F)C2)cc1 ZINC001203935338 812496538 /nfs/dbraw/zinc/49/65/38/812496538.db2.gz FGKHBBCZHWMKEH-CJNGLKHVSA-N 1 0 264.388 3.323 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCN(C)C(C)(C)C2)cc1 ZINC001203942896 812499454 /nfs/dbraw/zinc/49/94/54/812499454.db2.gz XNXJAJQKOKESEO-UHFFFAOYSA-N 1 0 289.467 3.059 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)c3ccccc23)CCO1 ZINC001204235233 812581157 /nfs/dbraw/zinc/58/11/57/812581157.db2.gz LBBAJRZGPNTTCX-CQSZACIVSA-N 1 0 284.403 3.127 20 10 CGCDRO CC[N@H+](Cc1ccccc1)Cc1ccc(O)cc1O ZINC001204272207 812592741 /nfs/dbraw/zinc/59/27/41/812592741.db2.gz JNRHMRGQQSVFDR-UHFFFAOYSA-N 1 0 257.333 3.120 20 10 CGCDRO Cc1ccc(CC[N@@H+](C)Cc2ccc(O)cc2O)cc1 ZINC001204278271 812593674 /nfs/dbraw/zinc/59/36/74/812593674.db2.gz COUPSSWKOPVZHV-UHFFFAOYSA-N 1 0 271.360 3.081 20 10 CGCDRO Oc1ccc(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)c(O)c1 ZINC001204278696 812595101 /nfs/dbraw/zinc/59/51/01/812595101.db2.gz IQJMXLAZWNAQOS-WFASDCNBSA-N 1 0 261.365 3.252 20 10 CGCDRO Oc1ccc(C[N@@H+]2CCSc3ccccc3C2)c(O)c1 ZINC001204278082 812595214 /nfs/dbraw/zinc/59/52/14/812595214.db2.gz SLODAVTVJFHJQR-UHFFFAOYSA-N 1 0 287.384 3.206 20 10 CGCDRO COCC1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204320166 812611256 /nfs/dbraw/zinc/61/12/56/812611256.db2.gz NDLZFDKIISIIRM-UHFFFAOYSA-N 1 0 288.435 3.145 20 10 CGCDRO CC[N@H+](CCn1cccn1)Cc1ccc(N2CCCC2)cc1 ZINC001204322987 812612865 /nfs/dbraw/zinc/61/28/65/812612865.db2.gz YCGQXBGDGXXJGK-UHFFFAOYSA-N 1 0 298.434 3.005 20 10 CGCDRO c1cc2c(o1)CC[N@@H+](Cc1ccc(N3CCCC3)cc1)C2 ZINC001204328034 812614683 /nfs/dbraw/zinc/61/46/83/812614683.db2.gz BBIGSHJULNGBSK-UHFFFAOYSA-N 1 0 282.387 3.438 20 10 CGCDRO COc1cc(C[N@H+](C)[C@H]2CCc3ccccc32)cc(O)c1O ZINC001204349938 812617275 /nfs/dbraw/zinc/61/72/75/812617275.db2.gz DLGYFBIVTDVNAD-HNNXBMFYSA-N 1 0 299.370 3.226 20 10 CGCDRO CC(C)C[NH+]1CCN(Cc2cc(C(C)C)ccc2O)CC1 ZINC001205082279 812852112 /nfs/dbraw/zinc/85/21/12/812852112.db2.gz NLQAWFZBZNHSQD-UHFFFAOYSA-N 1 0 290.451 3.289 20 10 CGCDRO C[C@H]1CC[C@@H](CN)[N@@H+]1Cc1cccc(-c2ccccc2)c1O ZINC001205083738 812852822 /nfs/dbraw/zinc/85/28/22/812852822.db2.gz YMXMUKYOEIANDP-YOEHRIQHSA-N 1 0 296.414 3.371 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCc3cccc(O)c3C2)cc1F ZINC001205243857 812916332 /nfs/dbraw/zinc/91/63/32/812916332.db2.gz PWQPLXFDGUQTOC-UHFFFAOYSA-N 1 0 271.335 3.398 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+]CCCOC(F)F)c1 ZINC001205513610 812992652 /nfs/dbraw/zinc/99/26/52/812992652.db2.gz HNGIPPLORKDFPS-UHFFFAOYSA-N 1 0 273.323 3.235 20 10 CGCDRO CCN(CC)c1ccc(CN2C[C@H](C)CC[C@@H]2C[NH3+])cc1 ZINC001205805841 813086174 /nfs/dbraw/zinc/08/61/74/813086174.db2.gz SEDSTXGNDWANIM-CRAIPNDOSA-N 1 0 289.467 3.092 20 10 CGCDRO Cc1c(CN2C[C@@H](C)CC[C@@H]2C[NH3+])c2ccccc2n1C ZINC001205814265 813090917 /nfs/dbraw/zinc/09/09/17/813090917.db2.gz BYCMBKQLHVRODL-DZGCQCFKSA-N 1 0 285.435 3.046 20 10 CGCDRO Cc1ccc(C[NH2+][C@H]2COc3c(C)cccc3C2)c(O)c1 ZINC001206120653 813206942 /nfs/dbraw/zinc/20/69/42/813206942.db2.gz AQORFYVGIBFYCD-MRXNPFEDSA-N 1 0 283.371 3.102 20 10 CGCDRO CS[C@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)cc2C)C1 ZINC001206990238 813461498 /nfs/dbraw/zinc/46/14/98/813461498.db2.gz FPCPYNJWJYDOPX-CTYIDZIISA-N 1 0 264.438 3.045 20 10 CGCDRO CC[C@]1(O)CCC[N@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC001207103136 813486653 /nfs/dbraw/zinc/48/66/53/813486653.db2.gz VSALTSHNGSVLPM-HNNXBMFYSA-N 1 0 283.799 3.091 20 10 CGCDRO CCOC(C)(C)C[N@H+](CC)Cc1ccc(N(C)C)cc1 ZINC001209074338 813926220 /nfs/dbraw/zinc/92/62/20/813926220.db2.gz ANBPOZSKIUJMMH-UHFFFAOYSA-N 1 0 278.440 3.390 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(C[N@@H+](C)[C@@H]2CCOC2)cc1 ZINC001209517391 814071729 /nfs/dbraw/zinc/07/17/29/814071729.db2.gz GEFBUJVISQCNOC-GOSISDBHSA-N 1 0 284.403 3.315 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CCCC[C@H]2CO)cc1 ZINC001209519450 814072998 /nfs/dbraw/zinc/07/29/98/814072998.db2.gz VASVMFIYZWNKMW-IBGZPJMESA-N 1 0 298.430 3.441 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CCC[C@H](CO)C2)cc1 ZINC001209519007 814073510 /nfs/dbraw/zinc/07/35/10/814073510.db2.gz PMJPCLMWDMWRLM-SFHVURJKSA-N 1 0 298.430 3.298 20 10 CGCDRO CC[C@H](Oc1ccc(N2CC[NH2+]CC2)cc1)C(C)(C)C ZINC001218293601 816155413 /nfs/dbraw/zinc/15/54/13/816155413.db2.gz JXTMHDCLYMRRBC-INIZCTEOSA-N 1 0 276.424 3.300 20 10 CGCDRO c1cc(N2CCCC2)ccc1CN1CCC[C@@]12CCC[NH2+]C2 ZINC001222236793 816381898 /nfs/dbraw/zinc/38/18/98/816381898.db2.gz BDIUTAORXKNIMY-LJQANCHMSA-N 1 0 299.462 3.005 20 10 CGCDRO CC(C)c1ccc(CN2CCC[C@@]23CCC[NH2+]C3)c(O)c1 ZINC001222252726 816387500 /nfs/dbraw/zinc/38/75/00/816387500.db2.gz JPPFDLYJHHKWFS-GOSISDBHSA-N 1 0 288.435 3.234 20 10 CGCDRO CC(C)(C)c1ccc(CN2CC[C@@]3(CCC[NH2+]3)C2)c(O)c1 ZINC001222478054 816454617 /nfs/dbraw/zinc/45/46/17/816454617.db2.gz ZMOOLZVXWYLCOU-SFHVURJKSA-N 1 0 288.435 3.018 20 10 CGCDRO CCC[N@H+](Cc1cccc(C)c1O)C1CCOCC1 ZINC001231594011 818132072 /nfs/dbraw/zinc/13/20/72/818132072.db2.gz AXRUNONFLDSYLX-UHFFFAOYSA-N 1 0 263.381 3.092 20 10 CGCDRO CO[C@H]1CCC[C@@H]2C[N@H+](Cc3c(C)cc(C)cc3O)C[C@@H]21 ZINC001231845869 818187193 /nfs/dbraw/zinc/18/71/93/818187193.db2.gz RYWYOSGSJNJVAZ-HFTRVMKXSA-N 1 0 289.419 3.256 20 10 CGCDRO Cc1cc(C)c(C[NH+]2CCC(c3ccn(C)n3)CC2)c(O)c1 ZINC001231847849 818187426 /nfs/dbraw/zinc/18/74/26/818187426.db2.gz DWBBHXGIGDFRGL-UHFFFAOYSA-N 1 0 299.418 3.122 20 10 CGCDRO COC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)c(C)cc1O ZINC001231868710 818194375 /nfs/dbraw/zinc/19/43/75/818194375.db2.gz WQVROWOMXJHWIV-ZDUSSCGKSA-N 1 0 283.799 3.355 20 10 CGCDRO Oc1c(C[NH+]2CC3CC(C3)C2)ccc2ccccc21 ZINC001231882391 818200978 /nfs/dbraw/zinc/20/09/78/818200978.db2.gz JSZLJGZBEVHOIQ-UHFFFAOYSA-N 1 0 253.345 3.387 20 10 CGCDRO CN1CCC[C@@H]2C[N@H+](Cc3ccc4ccccc4c3O)C[C@@H]21 ZINC001231883555 818202800 /nfs/dbraw/zinc/20/28/00/818202800.db2.gz OXLSRUDHLFYCNR-QAPCUYQASA-N 1 0 296.414 3.071 20 10 CGCDRO C[C@H]1C[N@H+](Cc2cc(Cl)c(O)cc2O)CCC1(F)F ZINC001232259392 818296042 /nfs/dbraw/zinc/29/60/42/818296042.db2.gz ILODOLYYIMOOMC-QMMMGPOBSA-N 1 0 291.725 3.228 20 10 CGCDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232262873 818297451 /nfs/dbraw/zinc/29/74/51/818297451.db2.gz UNQDPXMFXZIDFZ-AOOOYVTPSA-N 1 0 269.772 3.229 20 10 CGCDRO C[C@H]1CC[N@H+](Cc2cc(Cl)c(O)cc2O)[C@@H](C)C1 ZINC001232269246 818301138 /nfs/dbraw/zinc/30/11/38/818301138.db2.gz YTUXCPUCURITKK-UWVGGRQHSA-N 1 0 269.772 3.372 20 10 CGCDRO CC[N@H+](Cc1ccc(C)cc1)Cc1cc(O)c(O)c(O)c1 ZINC001233014900 818502118 /nfs/dbraw/zinc/50/21/18/818502118.db2.gz FDEYSOYLHIJMLT-UHFFFAOYSA-N 1 0 287.359 3.134 20 10 CGCDRO Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H]3C[C@@H]32)c1O ZINC001233111776 818522713 /nfs/dbraw/zinc/52/27/13/818522713.db2.gz XECAJHKBAHXYEO-MFKMUULPSA-N 1 0 296.208 3.447 20 10 CGCDRO C[NH+](C)C1CCN(Cc2cc(C(C)(C)C)ccc2O)CC1 ZINC001233283688 818566687 /nfs/dbraw/zinc/56/66/87/818566687.db2.gz RLIWNRPQRWMKPO-UHFFFAOYSA-N 1 0 290.451 3.216 20 10 CGCDRO COc1cc(Cl)cc(C[N@H+](C)C2CC(C)C2)c1O ZINC001233287644 818569078 /nfs/dbraw/zinc/56/90/78/818569078.db2.gz AZLMCHGKCAGGHT-UHFFFAOYSA-N 1 0 269.772 3.285 20 10 CGCDRO C[N@H+](CCc1cccc(F)c1)Cc1c([O-])ccc(F)c1F ZINC001233336044 818588880 /nfs/dbraw/zinc/58/88/80/818588880.db2.gz WQMATUAPGKVUHZ-UHFFFAOYSA-N 1 0 295.304 3.484 20 10 CGCDRO Oc1c(C[NH+]2CCC(F)CC2)cccc1OC(F)(F)F ZINC001233727876 818692318 /nfs/dbraw/zinc/69/23/18/818692318.db2.gz QNQBTAUDFQCDMD-UHFFFAOYSA-N 1 0 293.260 3.225 20 10 CGCDRO COc1ccc2ccc(O)c(C[N@H+](C)C(C)C)c2c1 ZINC001234518063 818871556 /nfs/dbraw/zinc/87/15/56/818871556.db2.gz BWMCMIHLUYOMFJ-UHFFFAOYSA-N 1 0 259.349 3.394 20 10 CGCDRO C[C@H]1C[N@H+](Cc2cccc(-c3ccccc3)c2O)CCO1 ZINC001234998138 818972239 /nfs/dbraw/zinc/97/22/39/818972239.db2.gz GANSKVDPGPDXIO-AWEZNQCLSA-N 1 0 283.371 3.280 20 10 CGCDRO CN1CC[C@H]([N@H+](C)Cc2cccc(-c3ccccc3)c2O)C1 ZINC001234996920 818972911 /nfs/dbraw/zinc/97/29/11/818972911.db2.gz PVJFHWXOMXEBJP-KRWDZBQOSA-N 1 0 296.414 3.195 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(CN2CC[C@H]3[NH2+]CC[C@H]32)cc1 ZINC001235072787 818995037 /nfs/dbraw/zinc/99/50/37/818995037.db2.gz LKLGGTFKXMYTRT-RTBURBONSA-N 1 0 295.430 3.030 20 10 CGCDRO CC(C)(C)c1ccc(C[N@@H+]2CC[C@]3(CCOC3)C2)c(O)c1 ZINC001235682245 819139912 /nfs/dbraw/zinc/13/99/12/819139912.db2.gz PVBBUORKUPPKDV-SFHVURJKSA-N 1 0 289.419 3.302 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(CN2CCC[C@H]2C[NH3+])cc1 ZINC001235724865 819153822 /nfs/dbraw/zinc/15/38/22/819153822.db2.gz KEFVEAHWTIXIGN-SFHVURJKSA-N 1 0 283.419 3.017 20 10 CGCDRO Cc1cc(C)c(C[N@@H+]2CCN[C@@H](c3ccccc3)C2)c(O)c1 ZINC001235857484 819187970 /nfs/dbraw/zinc/18/79/70/819187970.db2.gz URGQSZCBRIGUIJ-GOSISDBHSA-N 1 0 296.414 3.156 20 10 CGCDRO CC(C)C[C@H]1CN(Cc2cc3ccccc3cc2O)CC[NH2+]1 ZINC001235881970 819195091 /nfs/dbraw/zinc/19/50/91/819195091.db2.gz MOYMPQUHIQGIBR-SFHVURJKSA-N 1 0 298.430 3.365 20 10 CGCDRO Cc1cc(CN2C[C@H]([NH3+])CC[C@H]2C)c(C)n1-c1ccccc1 ZINC001235892470 819201382 /nfs/dbraw/zinc/20/13/82/819201382.db2.gz RHFUVEOLPVLXLB-RDTXWAMCSA-N 1 0 297.446 3.406 20 10 CGCDRO C[C@@H]1CC[C@H]([NH3+])CN1Cc1ccc(C(C)(C)C)cc1O ZINC001235902870 819211688 /nfs/dbraw/zinc/21/16/88/819211688.db2.gz GWCLJASQRNDVBG-DOMZBBRYSA-N 1 0 276.424 3.001 20 10 CGCDRO C[C@H]1CC[C@@H]([NH3+])CN1Cc1cc(C(C)(C)C)ccc1O ZINC001235902416 819211802 /nfs/dbraw/zinc/21/18/02/819211802.db2.gz FSUDXRFYGGGABO-SWLSCSKDSA-N 1 0 276.424 3.001 20 10 CGCDRO C[C@@H]1CC[C@H]([NH3+])CN1Cc1cc(Cl)c(Cl)cc1O ZINC001235907541 819217277 /nfs/dbraw/zinc/21/72/77/819217277.db2.gz QLALXRCLWKFPIT-SCZZXKLOSA-N 1 0 289.206 3.011 20 10 CGCDRO CCC[C@@H]1CNCC[N@@H+]1Cc1ccc2ccccc2c1O ZINC001236132416 819334653 /nfs/dbraw/zinc/33/46/53/819334653.db2.gz JPBWULFYVWOWCX-MRXNPFEDSA-N 1 0 284.403 3.119 20 10 CGCDRO Cc1cc(Cl)cc(CN(C)[C@H]2CCCC[C@H]2[NH3+])c1O ZINC001236212889 819374189 /nfs/dbraw/zinc/37/41/89/819374189.db2.gz AIDAMCXWINRQBP-KGLIPLIRSA-N 1 0 282.815 3.056 20 10 CGCDRO CC(C)c1ccc(CN(C2CC2)[C@H]2CCC[NH2+]C2)c(O)c1 ZINC001236240438 819399255 /nfs/dbraw/zinc/39/92/55/819399255.db2.gz LUFHPLOZMLRUKZ-KRWDZBQOSA-N 1 0 288.435 3.232 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(CN2CCC[C@@H]([NH3+])[C@H]2C)cc1 ZINC001236417750 819463699 /nfs/dbraw/zinc/46/36/99/819463699.db2.gz CXLCIWQBIXOIOE-VQIMIIECSA-N 1 0 297.446 3.406 20 10 CGCDRO Cc1cccnc1O[C@H]1CCC[N@H+](Cc2ccc(N)cc2)C1 ZINC001236537343 819527945 /nfs/dbraw/zinc/52/79/45/819527945.db2.gz VXYSCHOFETWHGU-KRWDZBQOSA-N 1 0 297.402 3.016 20 10 CGCDRO CCC[N@H+](CC)Cc1cc(O)c(Br)cc1O ZINC001236772726 819592116 /nfs/dbraw/zinc/59/21/16/819592116.db2.gz IZKKDJCNWZDKDR-UHFFFAOYSA-N 1 0 288.185 3.092 20 10 CGCDRO COc1cc(C)c(C[NH+]2CCC3(CC(F)C3)CC2)c(O)c1 ZINC001236807713 819601592 /nfs/dbraw/zinc/60/15/92/819601592.db2.gz KDGAKWAXHASIAO-UHFFFAOYSA-N 1 0 293.382 3.423 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CC[C@H](C)C[C@H]2C)c(O)c1 ZINC001236810213 819603658 /nfs/dbraw/zinc/60/36/58/819603658.db2.gz DHQNYKFKLBVZJJ-WCQYABFASA-N 1 0 263.381 3.330 20 10 CGCDRO Oc1cc2ccccc2cc1C[NH+]1CC2(C1)CCCOC2 ZINC001236827502 819609285 /nfs/dbraw/zinc/60/92/85/819609285.db2.gz UIZLOAGUYUOCOJ-UHFFFAOYSA-N 1 0 283.371 3.158 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2CC[C@@H](C)[C@H](O)CC2)c(O)c1 ZINC001237044814 819650787 /nfs/dbraw/zinc/65/07/87/819650787.db2.gz DSMJAPIKXUXXRC-CZUORRHYSA-N 1 0 277.408 3.108 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2CCN3CCCC[C@@H]3C2)c(O)c1 ZINC001237052886 819651727 /nfs/dbraw/zinc/65/17/27/819651727.db2.gz DXPDLGAQIROSHT-QGZVFWFLSA-N 1 0 288.435 3.186 20 10 CGCDRO CC[N@H+](Cc1ccc(C(C)C)cc1O)C1CCN(C)CC1 ZINC001237054358 819654447 /nfs/dbraw/zinc/65/44/47/819654447.db2.gz WNXMBUMPLJPMSQ-UHFFFAOYSA-N 1 0 290.451 3.432 20 10 CGCDRO CO[C@@H]1CCC[N@H+](Cc2cc(C(F)(F)F)ccc2O)C1 ZINC001237138799 819675591 /nfs/dbraw/zinc/67/55/91/819675591.db2.gz YXQOXIHXSZINIL-GFCCVEGCSA-N 1 0 289.297 3.022 20 10 CGCDRO C[N@H+](Cc1ccccc1O)Cc1ccncc1C(F)(F)F ZINC001237291863 819719291 /nfs/dbraw/zinc/71/92/91/819719291.db2.gz GPBWDIRUPOHQRZ-UHFFFAOYSA-N 1 0 296.292 3.438 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@H]1Cc1ccccn1 ZINC001237489440 819762422 /nfs/dbraw/zinc/76/24/22/819762422.db2.gz HPRNEXVZAGLPAP-INIZCTEOSA-N 1 0 282.387 3.303 20 10 CGCDRO COc1c(C)cccc1C[N@H+](C)Cc1ccccc1O ZINC001237507093 819766826 /nfs/dbraw/zinc/76/68/26/819766826.db2.gz JXITWHNHFIMNFE-UHFFFAOYSA-N 1 0 271.360 3.341 20 10 CGCDRO COc1cc(C[N@@H+]2CCC[C@@H]2C(C)C)c(O)c(OC)c1 ZINC001237680482 819805628 /nfs/dbraw/zinc/80/56/28/819805628.db2.gz KIJJISXVZDJVIJ-CQSZACIVSA-N 1 0 279.380 3.030 20 10 CGCDRO Cc1cc(Cl)cc(C[N@H+](C)CCc2cccnc2)c1O ZINC001237687374 819806234 /nfs/dbraw/zinc/80/62/34/819806234.db2.gz ZBCHJARSXSYNIG-UHFFFAOYSA-N 1 0 290.794 3.424 20 10 CGCDRO Cc1cc(F)cc(C[N@H+]2CCCC[C@@H](C)C2)c1O ZINC001238057797 819920496 /nfs/dbraw/zinc/92/04/96/819920496.db2.gz NNZAVJGRZSCLNU-LLVKDONJSA-N 1 0 251.345 3.462 20 10 CGCDRO Cc1cc(F)cc(C[NH+]2CCC3(CCCOC3)CC2)c1O ZINC001238066681 819922530 /nfs/dbraw/zinc/92/25/30/819922530.db2.gz ITYJBBZIRDWMNY-UHFFFAOYSA-N 1 0 293.382 3.232 20 10 CGCDRO CC[C@H]1CCC[N@H+](Cc2cc(F)cc(C)c2O)C1 ZINC001238070570 819925016 /nfs/dbraw/zinc/92/50/16/819925016.db2.gz NKCKBEGYTSRDEY-LBPRGKRZSA-N 1 0 251.345 3.462 20 10 CGCDRO CCN(CC)c1ccc(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC001242023789 822287643 /nfs/dbraw/zinc/28/76/43/822287643.db2.gz IRLMDTMYDICQNP-CVEARBPZSA-N 1 0 256.393 3.441 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCC(F)F)c1 ZINC001339191593 936357277 /nfs/dbraw/zinc/35/72/77/936357277.db2.gz BXRTVEBWYDBIDD-SECBINFHSA-N 1 0 259.296 3.097 20 10 CGCDRO CCOc1ccc(N(CC)CC[C@H]2CCOC2)cc1 ZINC001344126022 936527061 /nfs/dbraw/zinc/52/70/61/936527061.db2.gz XPDCUGFARGVPSV-AWEZNQCLSA-N 1 0 263.381 3.338 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@H](C)Cc1cnn(C)c1 ZINC001344437514 936534588 /nfs/dbraw/zinc/53/45/88/936534588.db2.gz GYUAQBQCWMGRAL-UMVBOHGHSA-N 1 0 299.418 3.203 20 10 CGCDRO Oc1cc(Br)ccc1C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC001347396279 936882821 /nfs/dbraw/zinc/88/28/21/936882821.db2.gz VNGDSJLQPATJQR-ICCXJUOJSA-N 1 0 296.208 3.433 20 10 CGCDRO CCc1noc(C)c1C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001347645979 936890559 /nfs/dbraw/zinc/89/05/59/936890559.db2.gz COSZORKAIPFYJA-UHFFFAOYSA-N 1 0 299.418 3.435 20 10 CGCDRO COc1cccc(C[NH+]2CC(c3ccc(F)cc3)C2)c1O ZINC001348074203 936909538 /nfs/dbraw/zinc/90/95/38/936909538.db2.gz FKBPQDLECOXDPD-UHFFFAOYSA-N 1 0 287.334 3.139 20 10 CGCDRO Cc1cccc(C[NH2+]Cc2cnccc2C(F)(F)F)c1O ZINC001350734132 936998972 /nfs/dbraw/zinc/99/89/72/936998972.db2.gz JKVQHTFBEILRGT-UHFFFAOYSA-N 1 0 296.292 3.404 20 10 CGCDRO CCC[N@H+](Cc1ccccc1O)CC1(OC)CCC1 ZINC001352824619 937050504 /nfs/dbraw/zinc/05/05/04/937050504.db2.gz CNOLZXBDHCQYES-UHFFFAOYSA-N 1 0 263.381 3.173 20 10 CGCDRO C[C@H](c1cccc(O)c1)[N@H+](C)Cc1ccc(N)cc1 ZINC001356083738 937152429 /nfs/dbraw/zinc/15/24/29/937152429.db2.gz ZOCFERIOBCSISK-GFCCVEGCSA-N 1 0 256.349 3.167 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC001474393366 937205457 /nfs/dbraw/zinc/20/54/57/937205457.db2.gz OWLSWPOPJBNKGB-MLGOLLRUSA-N 1 0 264.388 3.241 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2O)CN1Cc1ccccc1 ZINC000151319899 928242716 /nfs/dbraw/zinc/24/27/16/928242716.db2.gz JXZRLJREXJRXFW-CRAIPNDOSA-N 1 0 296.414 3.145 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+][C@@H]2CCOC2(C)C)c1 ZINC001560835408 937237640 /nfs/dbraw/zinc/23/76/40/937237640.db2.gz OHAJVBSEGMQGBX-OAHLLOKOSA-N 1 0 263.381 3.173 20 10 CGCDRO COc1ccccc1C[C@H](C)[NH2+]Cc1ccccc1O ZINC000037778534 928693312 /nfs/dbraw/zinc/69/33/12/928693312.db2.gz AJXMXHZXGQXNNF-ZDUSSCGKSA-N 1 0 271.360 3.122 20 10 CGCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@@H](N3CCCCC3)C2)c1O ZINC001140178949 931957194 /nfs/dbraw/zinc/95/71/94/931957194.db2.gz DMEUEBRTGIRZAW-MRXNPFEDSA-N 1 0 288.435 3.069 20 10 CGCDRO Cc1ccc(C)c(C[NH+]2CC3(C2)CC(F)(F)C3)c1O ZINC001140178708 931957460 /nfs/dbraw/zinc/95/74/60/931957460.db2.gz VEPVVSOGOBZXLU-UHFFFAOYSA-N 1 0 267.319 3.240 20 10 CGCDRO CC[C@@H](CSC)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001461391669 937579032 /nfs/dbraw/zinc/57/90/32/937579032.db2.gz LFEXUBUSWPVLDJ-AWEZNQCLSA-N 1 0 265.422 3.243 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@H](CO)CC(C)C)cc1C ZINC001461614411 937588122 /nfs/dbraw/zinc/58/81/22/937588122.db2.gz HFHMDOXYWCLPHC-INIZCTEOSA-N 1 0 279.424 3.280 20 10 CGCDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1ccc(Cl)cc1O ZINC001462213800 937625574 /nfs/dbraw/zinc/62/55/74/937625574.db2.gz CLMCCMCRTOSTSX-WFASDCNBSA-N 1 0 294.826 3.104 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@@H](C)C2CCCC2)c1O ZINC001462339307 937633766 /nfs/dbraw/zinc/63/37/66/937633766.db2.gz YAWPPCNLEFHCRF-LBPRGKRZSA-N 1 0 263.381 3.378 20 10 CGCDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@@H](C)Cn1ccnc1 ZINC001308247468 933080009 /nfs/dbraw/zinc/08/00/09/933080009.db2.gz ZAXQPMUUMUQXCY-CQSZACIVSA-N 1 0 296.418 3.109 20 10 CGCDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2ccc(C)cc2O)C1(C)C ZINC001308567783 933135441 /nfs/dbraw/zinc/13/54/41/933135441.db2.gz OUZUUQNDYBJGAB-HOTGVXAUSA-N 1 0 277.408 3.336 20 10 CGCDRO CCC[C@H](C[N@H+](CCC)Cc1ccccc1O)OC ZINC001308617084 933143553 /nfs/dbraw/zinc/14/35/53/933143553.db2.gz IKPNCDVTXSGTBG-OAHLLOKOSA-N 1 0 265.397 3.419 20 10 CGCDRO Cc1n[nH]c(C[N@@H+](C)Cc2ccc(N3CCCC3)cc2)c1C ZINC001308748844 933170588 /nfs/dbraw/zinc/17/05/88/933170588.db2.gz UHFVXESSYUOUIT-UHFFFAOYSA-N 1 0 298.434 3.259 20 10 CGCDRO CO[C@@](C)([C@H](C)[NH2+]Cc1ccc(Cl)cc1O)C1CC1 ZINC001308821537 933184001 /nfs/dbraw/zinc/18/40/01/933184001.db2.gz SEZOZUCWZQTIOK-BONVTDFDSA-N 1 0 283.799 3.339 20 10 CGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]CCNc1ccccn1 ZINC001321024779 934135747 /nfs/dbraw/zinc/13/57/47/934135747.db2.gz VOBITRDCWQYSHD-KBPBESRZSA-N 1 0 297.402 3.346 20 10 CGCDRO CO[C@@]1(C)C[C@@H]([N@H+](C)Cc2ccc(N(C)C)cc2)C1(C)C ZINC001473187884 937796503 /nfs/dbraw/zinc/79/65/03/937796503.db2.gz UFAXMPKWVSCCNR-AEFFLSMTSA-N 1 0 290.451 3.388 20 10 CGCDRO Cc1cccnc1C[NH2+][C@H](C)Cc1ccc(N(C)C)cc1C ZINC001325243403 934898320 /nfs/dbraw/zinc/89/83/20/934898320.db2.gz ZKTPSOINURHJPI-MRXNPFEDSA-N 1 0 297.446 3.485 20 10 CGCDRO CC[C@@H]1C[NH+](Cc2ccc(N(C)C)c(C)c2)C[C@@H](CC)O1 ZINC001473565956 937811462 /nfs/dbraw/zinc/81/14/62/937811462.db2.gz VWKKRUUUGKQGPU-IAGOWNOFSA-N 1 0 290.451 3.450 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)[C@@H]1CCCO1 ZINC001329721103 935241115 /nfs/dbraw/zinc/24/11/15/935241115.db2.gz AFTXMTIATJOJGI-ZBFHGGJFSA-N 1 0 298.377 3.078 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cccn1C1CC1 ZINC001330527907 935291869 /nfs/dbraw/zinc/29/18/69/935291869.db2.gz FLYLDOPNGGGZLY-UHFFFAOYSA-N 1 0 283.419 3.487 20 10 CGCDRO Nc1ccc(C[NH2+]C2(c3ccccc3F)CC2)cc1 ZINC001334775275 936112938 /nfs/dbraw/zinc/11/29/38/936112938.db2.gz UXGMYPOYANYJNO-UHFFFAOYSA-N 1 0 256.324 3.187 20 10 CGCDRO C[C@@H]([NH2+]CCCc1cccnc1)c1ccc(N(C)C)cc1 ZINC001334792636 936114567 /nfs/dbraw/zinc/11/45/67/936114567.db2.gz AHDNRKNYDSAVPY-OAHLLOKOSA-N 1 0 283.419 3.431 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H](C)C[C@@H]2C)c(O)c1OC ZINC001336722290 936209906 /nfs/dbraw/zinc/20/99/06/936209906.db2.gz OOVKFFIGHPNWPN-MBNYWOFBSA-N 1 0 293.407 3.324 20 10 CGCDRO CCc1cc(C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3C)[nH]n1 ZINC001337786345 936288636 /nfs/dbraw/zinc/28/86/36/936288636.db2.gz WNKMGQRTIWZFLK-SMDDNHRTSA-N 1 0 285.391 3.324 20 10 CGCDRO CC(C)c1ccc(O)c(C[N@H+](C)CCCn2ccnc2)c1 ZINC001474500612 937863421 /nfs/dbraw/zinc/86/34/21/937863421.db2.gz GIYYIAJTBXRSRL-UHFFFAOYSA-N 1 0 287.407 3.234 20 10 CGCDRO CCOC1CC([N@H+](C)Cc2ccc(N(C)C)cc2C)C1 ZINC001474553606 937866750 /nfs/dbraw/zinc/86/67/50/937866750.db2.gz RELAHCLQQYOOJU-UHFFFAOYSA-N 1 0 276.424 3.060 20 10 CGCDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2O)CS1 ZINC001474581312 937868481 /nfs/dbraw/zinc/86/84/81/937868481.db2.gz QUSUWQCPEOEILI-GZMMTYOYSA-N 1 0 257.786 3.029 20 10 CGCDRO CCCN(C)CC(C)(C)[NH2+]Cc1ccc(Cl)cc1O ZINC001474642037 937872460 /nfs/dbraw/zinc/87/24/60/937872460.db2.gz UXDKXKRHEHDEPV-UHFFFAOYSA-N 1 0 284.831 3.256 20 10 CGCDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]Cc2ccc(N(C)C)c(C)c2)C1(C)C ZINC001559847736 938237121 /nfs/dbraw/zinc/23/71/21/938237121.db2.gz ZRHSOZNGYGMBDF-KBRIMQKVSA-N 1 0 290.451 3.210 20 10 CGCDRO C[C@@H]([NH2+]Cc1cn2cccc(F)c2n1)c1ccccc1O ZINC001560575766 938263493 /nfs/dbraw/zinc/26/34/93/938263493.db2.gz RSESXQFMRSBZPY-LLVKDONJSA-N 1 0 285.322 3.030 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2ccc(Br)o2)c(O)c1 ZINC001560771175 938275239 /nfs/dbraw/zinc/27/52/39/938275239.db2.gz QSWZWVDMWWBEGG-UHFFFAOYSA-N 1 0 296.164 3.346 20 10 CGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@@H]1C[C@H](OC)C12CCC2 ZINC001560809089 938277237 /nfs/dbraw/zinc/27/72/37/938277237.db2.gz YDSYXLGVXXUSFN-SJORKVTESA-N 1 0 288.435 3.319 20 10 CGCDRO Oc1cc(Cl)ccc1C[NH2+]C[C@H]1CCN1C1CCCC1 ZINC001560961232 938286284 /nfs/dbraw/zinc/28/62/84/938286284.db2.gz MUYCWPOWKZHGKD-OAHLLOKOSA-N 1 0 294.826 3.152 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH+]1CCC(n2cccn2)CC1 ZINC000092617878 345847543 /nfs/dbraw/zinc/84/75/43/345847543.db2.gz DJLLIIPKEDUIIS-UHFFFAOYSA-N 1 0 291.782 3.079 20 10 CGCDRO C[C@@H](CO)C[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000151721514 346138513 /nfs/dbraw/zinc/13/85/13/346138513.db2.gz HSKWVTIQZJOMNL-ZIAGYGMSSA-N 1 0 294.414 3.095 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H](c1ccccc1)N(C)C)c1ccccc1O ZINC000020093966 368802124 /nfs/dbraw/zinc/80/21/24/368802124.db2.gz DTPMLBOLCLSPLZ-PBHICJAKSA-N 1 0 284.403 3.346 20 10 CGCDRO O[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000051993784 369460213 /nfs/dbraw/zinc/46/02/13/369460213.db2.gz DJADDBOZFPTXRL-ROUUACIJSA-N 1 0 288.435 3.070 20 10 CGCDRO CCOc1ccc(O)c(C[N@H+](C)Cc2ccoc2C)c1 ZINC000092451849 370098600 /nfs/dbraw/zinc/09/86/00/370098600.db2.gz DVEXGELGEKKJLE-UHFFFAOYSA-N 1 0 275.348 3.324 20 10 CGCDRO Cc1csc(C(C)(C)[NH2+]Cc2ccccc2O)n1 ZINC000116382640 370559467 /nfs/dbraw/zinc/55/94/67/370559467.db2.gz YNJBWUPGQQMASO-UHFFFAOYSA-N 1 0 262.378 3.182 20 10 CGCDRO Oc1cccc(Cl)c1CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000134122297 371304784 /nfs/dbraw/zinc/30/47/84/371304784.db2.gz DLSDHNDXHZHIEL-ZDUSSCGKSA-N 1 0 294.826 3.106 20 10 CGCDRO CC[C@@H](O)CC[NH2+][C@H](CC)c1cccc(Cl)c1[O-] ZINC000287273745 371633972 /nfs/dbraw/zinc/63/39/72/371633972.db2.gz BCOYFBVIWLCOKF-ZWNOBZJWSA-N 1 0 271.788 3.247 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cnccc1OC)c1ccccc1O ZINC000287966117 371722373 /nfs/dbraw/zinc/72/23/73/371722373.db2.gz ZAGFEQYWGJGYDA-CQSZACIVSA-N 1 0 272.348 3.037 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2c3ccccc3O[C@H]2C)c1 ZINC000288434479 371737763 /nfs/dbraw/zinc/73/77/63/371737763.db2.gz BVFJDIZGTYJFHF-SJCJKPOMSA-N 1 0 269.344 3.312 20 10 CGCDRO COc1cccc(C[NH2+][C@@H]2c3ccccc3O[C@H]2C)c1O ZINC000288699248 371743080 /nfs/dbraw/zinc/74/30/80/371743080.db2.gz YKCJSOKRBMNQFY-ZBEGNZNMSA-N 1 0 285.343 3.013 20 10 CGCDRO CO[C@](C)(C[NH2+][C@@H](C)c1ccc(C)cc1O)C1CC1 ZINC000291296516 372157290 /nfs/dbraw/zinc/15/72/90/372157290.db2.gz SCMXZQVMFXGOCE-BLLLJJGKSA-N 1 0 263.381 3.166 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CCOC(C)(C)C1)c1cc(F)ccc1O ZINC000159969685 372199629 /nfs/dbraw/zinc/19/96/29/372199629.db2.gz KTNHTDWGIDHJBX-PWSUYJOCSA-N 1 0 267.344 3.140 20 10 CGCDRO CC[C@H](O)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000293346570 372361461 /nfs/dbraw/zinc/36/14/61/372361461.db2.gz GTKAXRXYWBLIBF-YOEHRIQHSA-N 1 0 276.424 3.098 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](C)N(C)C2CC2)c(O)c1 ZINC000293565206 372413341 /nfs/dbraw/zinc/41/33/41/372413341.db2.gz DCUIRYRJIJXYJD-ZIAGYGMSSA-N 1 0 276.424 3.142 20 10 CGCDRO CO[C@H](C)CC[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000293759518 372473103 /nfs/dbraw/zinc/47/31/03/372473103.db2.gz OUAVXDHSZJKBOC-CHWSQXEVSA-N 1 0 251.370 3.085 20 10 CGCDRO CCC[C@@H](C[NH2+][C@H](C)c1ccc(C)cc1O)OC ZINC000293643306 372434880 /nfs/dbraw/zinc/43/48/80/372434880.db2.gz JXOFRXDMXFNFDX-OLZOCXBDSA-N 1 0 251.370 3.166 20 10 CGCDRO Cc1nnsc1C[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000293978462 372544676 /nfs/dbraw/zinc/54/46/76/372544676.db2.gz BENINSZCLMKBEP-NSHDSACASA-N 1 0 277.393 3.020 20 10 CGCDRO CCn1cc([C@@H](C)[NH2+]Cc2cc(C)c(C)cc2O)cn1 ZINC000294773208 372669660 /nfs/dbraw/zinc/66/96/60/372669660.db2.gz GDKYHQLWEGAXBH-CYBMUJFWSA-N 1 0 273.380 3.076 20 10 CGCDRO Cc1ncsc1CC[NH2+]Cc1c(O)cccc1Cl ZINC000294964782 372681745 /nfs/dbraw/zinc/68/17/45/372681745.db2.gz IPKRHVQAMZYEOK-UHFFFAOYSA-N 1 0 282.796 3.143 20 10 CGCDRO CC[C@H]([NH2+][C@@H](CC)C(C)(C)O)c1ccc(C)cc1O ZINC000295028693 372689035 /nfs/dbraw/zinc/68/90/35/372689035.db2.gz OIHNVHNTOCSDEL-ZFWWWQNUSA-N 1 0 265.397 3.291 20 10 CGCDRO CC[C@@H]([NH2+][C@H](C)CCCCO)c1ccc(N(C)C)cc1 ZINC000295857943 372936742 /nfs/dbraw/zinc/93/67/42/372936742.db2.gz BIECEXGFRDWYIK-RHSMWYFYSA-N 1 0 278.440 3.344 20 10 CGCDRO Cc1cc(C[N@@H+]2CC[C@@H](O)CC(C)(C)C2)ccc1N(C)C ZINC000296179991 373045274 /nfs/dbraw/zinc/04/52/74/373045274.db2.gz UKFARLMZQUAWCT-MRXNPFEDSA-N 1 0 290.451 3.044 20 10 CGCDRO C[C@@](O)(CC[NH2+][C@@H]1CCc2cccc(O)c21)c1ccccc1 ZINC000296342552 373095549 /nfs/dbraw/zinc/09/55/49/373095549.db2.gz HBGBVUZBZLJUQQ-VQIMIIECSA-N 1 0 297.398 3.267 20 10 CGCDRO CC(C)(O)c1ccc(C[NH2+][C@@H]2CCc3cccc(O)c32)cc1 ZINC000296396022 373118175 /nfs/dbraw/zinc/11/81/75/373118175.db2.gz KCFGEBNABHNTSC-MRXNPFEDSA-N 1 0 297.398 3.397 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCC(C)(C)CO)c(O)c1C ZINC000296493763 373153072 /nfs/dbraw/zinc/15/30/72/373153072.db2.gz OSMQZMXGOQXWLS-ZDUSSCGKSA-N 1 0 265.397 3.068 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)CC(C)(C)O)c(O)c1C ZINC000296587663 373186518 /nfs/dbraw/zinc/18/65/18/373186518.db2.gz UTYCJHNASHYXTD-DGCLKSJQSA-N 1 0 265.397 3.209 20 10 CGCDRO CC[C@@H](COCC(F)(F)F)[NH2+][C@H](C)c1ccccc1O ZINC000296631582 373201425 /nfs/dbraw/zinc/20/14/25/373201425.db2.gz BKELLYRUBCSCSK-MNOVXSKESA-N 1 0 291.313 3.400 20 10 CGCDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCc3cccc(O)c32)cc1 ZINC000297060592 373256954 /nfs/dbraw/zinc/25/69/54/373256954.db2.gz VYDVRXXFFZXPAL-AWEZNQCLSA-N 1 0 284.315 3.078 20 10 CGCDRO CO[C@@H](C[NH2+][C@@H]1CCc2cccc(O)c21)C(C)(C)C ZINC000297921199 373283787 /nfs/dbraw/zinc/28/37/87/373283787.db2.gz XDVDAKADDNQHMC-OCCSQVGLSA-N 1 0 263.381 3.030 20 10 CGCDRO COC[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000180199403 373977056 /nfs/dbraw/zinc/97/70/56/373977056.db2.gz NUNCKWFWRZXOCK-GFCCVEGCSA-N 1 0 283.799 3.212 20 10 CGCDRO C[C@H](C[N@H+](C)Cc1cc(F)ccc1O)c1nccs1 ZINC000183257082 374392414 /nfs/dbraw/zinc/39/24/14/374392414.db2.gz SRTXDYVAODKPNA-SNVBAGLBSA-N 1 0 280.368 3.223 20 10 CGCDRO CO[C@H](C[NH2+][C@H](C)c1ccccc1O)c1ccccc1 ZINC000183436944 374414038 /nfs/dbraw/zinc/41/40/38/374414038.db2.gz HHBWDECAXOPTAO-CXAGYDPISA-N 1 0 271.360 3.431 20 10 CGCDRO COCCC1(C[NH2+][C@@H](C)c2cc(F)ccc2O)CCC1 ZINC000185753698 374730607 /nfs/dbraw/zinc/73/06/07/374730607.db2.gz MGMKHNQZXAJGCJ-LBPRGKRZSA-N 1 0 281.371 3.389 20 10 CGCDRO CCOC[C@@H]([NH2+][C@H](C)c1ccccc1O)C(C)C ZINC000189356385 375373618 /nfs/dbraw/zinc/37/36/18/375373618.db2.gz KMRDXXYZVSXLSK-TZMCWYRMSA-N 1 0 251.370 3.104 20 10 CGCDRO CS[C@@H]1CCC[C@H]([NH2+]Cc2cccc(C)c2O)C1 ZINC000224818618 376288434 /nfs/dbraw/zinc/28/84/34/376288434.db2.gz NRNOVQWAOLERID-UONOGXRCSA-N 1 0 265.422 3.464 20 10 CGCDRO C[C@H](Cc1cccs1)[NH2+]Cc1cc(F)ccc1O ZINC000226583924 376366486 /nfs/dbraw/zinc/36/64/86/376366486.db2.gz OIXUAXCAVYLDFV-SNVBAGLBSA-N 1 0 265.353 3.314 20 10 CGCDRO Cc1nc(CC[NH2+]Cc2c(O)cccc2Cl)cs1 ZINC000226646000 376368043 /nfs/dbraw/zinc/36/80/43/376368043.db2.gz INOPOZQQYRUREH-UHFFFAOYSA-N 1 0 282.796 3.143 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCCC(F)(F)F)cc1C ZINC000266569621 378023290 /nfs/dbraw/zinc/02/32/90/378023290.db2.gz KOBCCHXJXNRFMN-UHFFFAOYSA-N 1 0 261.287 3.441 20 10 CGCDRO C[C@H](O)CC[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000268866766 378134491 /nfs/dbraw/zinc/13/44/91/378134491.db2.gz HJTBEUADLSHDJB-GJZGRUSLSA-N 1 0 276.424 3.098 20 10 CGCDRO CC(C)(C)[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)CCO1 ZINC000270700477 378390752 /nfs/dbraw/zinc/39/07/52/378390752.db2.gz YADJOXJXCNMASN-WBVHZDCISA-N 1 0 289.419 3.305 20 10 CGCDRO C[C@@H]([NH2+]C1CC(C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000271541538 378497953 /nfs/dbraw/zinc/49/79/53/378497953.db2.gz UKGDNMVIMNQKHU-JVWICGRDSA-N 1 0 292.398 3.111 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+]CC2(CCO)CCCC2)c1O ZINC000271792741 378504881 /nfs/dbraw/zinc/50/48/81/378504881.db2.gz HDYPYFIXKHEPGE-UHFFFAOYSA-N 1 0 297.826 3.386 20 10 CGCDRO C[N@H+](Cc1cc(F)ccc1O)[C@H](CCO)c1ccccc1 ZINC000272298788 378606832 /nfs/dbraw/zinc/60/68/32/378606832.db2.gz PGRXKDSNXZXGNB-MRXNPFEDSA-N 1 0 289.350 3.087 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCOC2)c(O)c1C ZINC000273621499 378757210 /nfs/dbraw/zinc/75/72/10/378757210.db2.gz ZERJAONBEJQCDU-HZSPNIEDSA-N 1 0 263.381 3.085 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCOC2)c(O)c1C ZINC000273296471 378740375 /nfs/dbraw/zinc/74/03/75/378740375.db2.gz AEABONPYAUECNZ-KBPBESRZSA-N 1 0 263.381 3.086 20 10 CGCDRO CCN(CC)CC[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000273395103 378744391 /nfs/dbraw/zinc/74/43/91/378744391.db2.gz LVJBSPWGIWQZNF-CQSZACIVSA-N 1 0 264.413 3.001 20 10 CGCDRO C[C@@H](CO)CCC[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000273475359 378748623 /nfs/dbraw/zinc/74/86/23/378748623.db2.gz KONAIGDVVUETPS-ZIAGYGMSSA-N 1 0 291.435 3.330 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2nnc(C(C)C)[nH]2)c1 ZINC000273464429 378748943 /nfs/dbraw/zinc/74/89/43/378748943.db2.gz IPYLBGWUZZUFRH-VXGBXAGGSA-N 1 0 288.395 3.354 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cnn(C)c2)c(O)c1C ZINC000273569670 378753740 /nfs/dbraw/zinc/75/37/40/378753740.db2.gz KLMHDDHBAWJOKT-CHWSQXEVSA-N 1 0 273.380 3.154 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c(O)c1C ZINC000273587021 378753868 /nfs/dbraw/zinc/75/38/68/378753868.db2.gz OBCHMOKZVNYNMD-JFOHDYCDSA-N 1 0 289.419 3.473 20 10 CGCDRO Cc1ccc([C@@H](O)C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)o1 ZINC000273567974 378754513 /nfs/dbraw/zinc/75/45/13/378754513.db2.gz JZQONGSEASMGFO-ZFWWWQNUSA-N 1 0 289.375 3.295 20 10 CGCDRO C[C@@H]([NH2+]C1CCN(C2CCC2)CC1)c1ccccc1O ZINC000272928416 378724263 /nfs/dbraw/zinc/72/42/63/378724263.db2.gz YZXDMYUWHQPYFG-CYBMUJFWSA-N 1 0 274.408 3.060 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH+]1CCC([C@H]2CCOC2)CC1 ZINC000371803996 379177196 /nfs/dbraw/zinc/17/71/96/379177196.db2.gz TXSKAXYLYWFCSP-ZDUSSCGKSA-N 1 0 295.810 3.294 20 10 CGCDRO Oc1ccccc1C[NH2+][C@@H]1CCOc2c(F)cccc21 ZINC000375344825 379492748 /nfs/dbraw/zinc/49/27/48/379492748.db2.gz IUCNOAOCGSWCOA-CQSZACIVSA-N 1 0 273.307 3.145 20 10 CGCDRO COCC1(C[NH2+][C@@H](C)c2cc(C)ccc2O)CCC1 ZINC000282413126 379914055 /nfs/dbraw/zinc/91/40/55/379914055.db2.gz CIWGMWDLOCZMEF-ZDUSSCGKSA-N 1 0 263.381 3.168 20 10 CGCDRO C[C@]12CC[N@H+](Cc3ccccc3O)C[C@H]1C2(Cl)Cl ZINC000284339200 380139327 /nfs/dbraw/zinc/13/93/27/380139327.db2.gz LMNMWLWSUYKLRH-OLZOCXBDSA-N 1 0 286.202 3.408 20 10 CGCDRO CC[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc(F)cc1[O-] ZINC000286373456 380205381 /nfs/dbraw/zinc/20/53/81/380205381.db2.gz ZRUBWGBWUJGREO-MRXNPFEDSA-N 1 0 294.414 3.304 20 10 CGCDRO C=Cn1cc(C[NH2+]Cc2c(C)c3ccccc3n2C)cn1 ZINC000355122385 380585015 /nfs/dbraw/zinc/58/50/15/380585015.db2.gz JJZKVZIFVAGTOE-UHFFFAOYSA-N 1 0 280.375 3.074 20 10 CGCDRO COc1ccc(N2CCC([NH2+]Cc3ccoc3)CC2)cc1 ZINC000360096413 381446906 /nfs/dbraw/zinc/44/69/06/381446906.db2.gz QYVLCPRYAWKBMM-UHFFFAOYSA-N 1 0 286.375 3.047 20 10 CGCDRO CN(C)c1ccc(C[NH+]2CCC([C@@H]3CCOC3)CC2)cc1 ZINC000363843142 382258682 /nfs/dbraw/zinc/25/86/82/382258682.db2.gz FEYRMGHWQKAZCI-QGZVFWFLSA-N 1 0 288.435 3.001 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]Cc2cccn2C)cc1F ZINC000119156533 392394404 /nfs/dbraw/zinc/39/44/04/392394404.db2.gz DRFNLAVUSTXCQE-UHFFFAOYSA-N 1 0 289.398 3.300 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1cncs1 ZINC000122434983 392422517 /nfs/dbraw/zinc/42/25/17/392422517.db2.gz DISLYVSJGTVTKW-SNVBAGLBSA-N 1 0 279.384 3.199 20 10 CGCDRO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC000178778023 392684311 /nfs/dbraw/zinc/68/43/11/392684311.db2.gz FAUNMGRUMUFLEY-AWEZNQCLSA-N 1 0 299.370 3.073 20 10 CGCDRO Oc1ccccc1C[N@H+](CC1CCC1)C[C@@H]1CCCO1 ZINC000173354469 392625420 /nfs/dbraw/zinc/62/54/20/392625420.db2.gz CJOJXNYMTSCKHI-INIZCTEOSA-N 1 0 275.392 3.173 20 10 CGCDRO COC[C@@H]([NH2+]Cc1cc(C)ccc1O)c1ccc(C)o1 ZINC000177565852 392662478 /nfs/dbraw/zinc/66/24/78/392662478.db2.gz BBAKIQYJFJZCCU-CQSZACIVSA-N 1 0 275.348 3.079 20 10 CGCDRO CSC1(C[NH2+][C@@H](C)c2cc(C)ccc2O)CC1 ZINC000193834337 392888370 /nfs/dbraw/zinc/88/83/70/392888370.db2.gz KNONXJBDGOKVRS-NSHDSACASA-N 1 0 251.395 3.247 20 10 CGCDRO C[C@@H]([NH2+]CCCCO)c1ccc(N2CCCCCC2)cc1 ZINC000194211284 392907126 /nfs/dbraw/zinc/90/71/26/392907126.db2.gz DNQJWACMCIEQHF-MRXNPFEDSA-N 1 0 290.451 3.490 20 10 CGCDRO COc1ccccc1CC[NH2+]Cc1cccc(C)c1O ZINC000224496168 393010706 /nfs/dbraw/zinc/01/07/06/393010706.db2.gz VEGMWSORAQFOQP-UHFFFAOYSA-N 1 0 271.360 3.042 20 10 CGCDRO Cc1cc(C[N@@H+]2CCC3(C2)CCOCC3)ccc1N(C)C ZINC000292689301 397672215 /nfs/dbraw/zinc/67/22/15/397672215.db2.gz CKWGCCPYCVJASY-UHFFFAOYSA-N 1 0 288.435 3.064 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](CCO)C(C)C)c1ccc(C)cc1O ZINC000280067619 286923622 /nfs/dbraw/zinc/92/36/22/286923622.db2.gz KTMYCRUWSSZBOB-CABCVRRESA-N 1 0 265.397 3.148 20 10 CGCDRO C[C@@H]([NH2+]CC1(O)CCCCC1)c1ccc(N(C)C)cc1 ZINC000087016988 287019367 /nfs/dbraw/zinc/01/93/67/287019367.db2.gz HSMBJQKZQQPZIC-CQSZACIVSA-N 1 0 276.424 3.098 20 10 CGCDRO C[C@H]([NH2+]CCN1CCCC1)c1ccc2ccccc2c1O ZINC000020126829 171011001 /nfs/dbraw/zinc/01/10/01/171011001.db2.gz YILPJZHVUHRLCQ-AWEZNQCLSA-N 1 0 284.403 3.292 20 10 CGCDRO C[C@H]([NH2+]Cc1cc(Cl)ccc1O)c1cccnc1 ZINC000020127712 171013900 /nfs/dbraw/zinc/01/39/00/171013900.db2.gz QSQZWLVVWMYUMO-JTQLQIEISA-N 1 0 262.740 3.291 20 10 CGCDRO CCC(CC)[C@H](C[NH2+][C@@H](C)c1ccccc1O)N(C)C ZINC000020202042 171066516 /nfs/dbraw/zinc/06/65/16/171066516.db2.gz SHFBIMDPLUOHPR-BBRMVZONSA-N 1 0 278.440 3.409 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)c2ccccc2)c1 ZINC000035629066 172308791 /nfs/dbraw/zinc/30/87/91/172308791.db2.gz RPCRUNDGVBZWTC-GUYCJALGSA-N 1 0 271.360 3.085 20 10 CGCDRO c1cc2c(o1)CCC[C@@H]2[NH2+]Cc1ccc2c(c1)CCO2 ZINC000037362945 260094873 /nfs/dbraw/zinc/09/48/73/260094873.db2.gz MVGFPTKJYWZZDX-HNNXBMFYSA-N 1 0 269.344 3.382 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@H](C)Cc2ccc(C)s2)c1 ZINC000080226707 260178641 /nfs/dbraw/zinc/17/86/41/260178641.db2.gz PYWDBROYMXJIDT-LLVKDONJSA-N 1 0 291.416 3.492 20 10 CGCDRO COc1cc(Cl)cc(C[N@@H+]2CCCOC(C)(C)C2)c1O ZINC000313157207 260254779 /nfs/dbraw/zinc/25/47/79/260254779.db2.gz HGUPAVYJFJBHES-UHFFFAOYSA-N 1 0 299.798 3.055 20 10 CGCDRO Cc1noc(C)c1C[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000092328677 260269408 /nfs/dbraw/zinc/26/94/08/260269408.db2.gz SCCYVESPSKPLEK-JTQLQIEISA-N 1 0 260.337 3.156 20 10 CGCDRO CC[C@H](CO)[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000151806052 261055178 /nfs/dbraw/zinc/05/51/78/261055178.db2.gz DPCFIGJYOIWIOG-UKRRQHHQSA-N 1 0 294.414 3.238 20 10 CGCDRO C[C@@H](CCO)[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000151955172 261057378 /nfs/dbraw/zinc/05/73/78/261057378.db2.gz UBVJHPBQEIWINB-HOTGVXAUSA-N 1 0 290.451 3.489 20 10 CGCDRO CC[C@@H]1CCCC[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000159459122 261187102 /nfs/dbraw/zinc/18/71/02/261187102.db2.gz WYVFGOPYXQYFGF-CYBMUJFWSA-N 1 0 279.380 3.174 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCCC[C@@H]1O)c1ccc(N(C)C)cc1 ZINC000165262286 261367714 /nfs/dbraw/zinc/36/77/14/261367714.db2.gz FKVIPMFXOJRUIO-ULQDDVLXSA-N 1 0 276.424 3.097 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)c2cccc(F)c2)c1 ZINC000185162326 262043337 /nfs/dbraw/zinc/04/33/37/262043337.db2.gz DOEOVECHSRDBKA-SJKOYZFVSA-N 1 0 289.350 3.224 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCO[C@H](C3CC3)C2)c(O)c1 ZINC000185317386 262050650 /nfs/dbraw/zinc/05/06/50/262050650.db2.gz HYPURFQDIAWEFZ-MRRJBJDNSA-N 1 0 275.392 3.309 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)c2ccccc2C)c1 ZINC000185435194 262054254 /nfs/dbraw/zinc/05/42/54/262054254.db2.gz LDORSXLQHWTZNO-KBXCAEBGSA-N 1 0 285.387 3.393 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@](C)(O)c2ccccc2)c1 ZINC000185453955 262054954 /nfs/dbraw/zinc/05/49/54/262054954.db2.gz IWSQXPQSUHYEHP-KSSFIOAISA-N 1 0 285.387 3.259 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c(O)c1 ZINC000185534847 262059103 /nfs/dbraw/zinc/05/91/03/262059103.db2.gz RQFOJULHAJJZBZ-YUDUHTQSSA-N 1 0 275.392 3.165 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCC(=O)OC(C)(C)C)c1 ZINC000185540201 262059348 /nfs/dbraw/zinc/05/93/48/262059348.db2.gz MFRRQOVTNRHIQX-GFCCVEGCSA-N 1 0 279.380 3.083 20 10 CGCDRO CO[C@@H](C[NH2+][C@@H](C)c1cc(F)ccc1O)C(C)(C)C ZINC000185618014 262062991 /nfs/dbraw/zinc/06/29/91/262062991.db2.gz PCZLSCFWZFFQTR-HZMBPMFUSA-N 1 0 269.360 3.243 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2c3ccccc3C[C@@H]2O)c1 ZINC000185674346 262066071 /nfs/dbraw/zinc/06/60/71/262066071.db2.gz INYOIWVPNVTLCK-IGNZVWTISA-N 1 0 283.371 3.010 20 10 CGCDRO C[C@H](O)CC(C)(C)C[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000186074965 262078525 /nfs/dbraw/zinc/07/85/25/262078525.db2.gz RMMAHYGMPZBGOB-QWRGUYRKSA-N 1 0 285.815 3.493 20 10 CGCDRO CSC1(C[NH2+][C@@H](C)c2cc(F)ccc2O)CCOCC1 ZINC000186081387 262078545 /nfs/dbraw/zinc/07/85/45/262078545.db2.gz DLHZKLIBAUCIMM-NSHDSACASA-N 1 0 299.411 3.094 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](CCO)c2ccco2)c1 ZINC000186541645 262097909 /nfs/dbraw/zinc/09/79/09/262097909.db2.gz UEQASJHKGUTNDJ-OCCSQVGLSA-N 1 0 275.348 3.068 20 10 CGCDRO CCOCCCC[NH2+][C@H](C)c1cc(C)ccc1O ZINC000185070939 262300769 /nfs/dbraw/zinc/30/07/69/262300769.db2.gz BCMLKOUPKYZTOC-CYBMUJFWSA-N 1 0 251.370 3.168 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccsc2)c(O)c1 ZINC000185513677 262305892 /nfs/dbraw/zinc/30/58/92/262305892.db2.gz JBSJTVCCWXXGJO-XHDPSFHLSA-N 1 0 277.389 3.146 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC[C@H]2CCCCO2)c1 ZINC000186515211 262315925 /nfs/dbraw/zinc/31/59/25/262315925.db2.gz NBSTYAGMBKKOHE-ZIAGYGMSSA-N 1 0 263.381 3.310 20 10 CGCDRO CSC[C@H](C)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000293739891 263148621 /nfs/dbraw/zinc/14/86/21/263148621.db2.gz XBXFXTBNWKUYEW-ZETCQYMHSA-N 1 0 263.765 3.026 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H](OC)C2CC2)cc1 ZINC000293866430 263151059 /nfs/dbraw/zinc/15/10/59/263151059.db2.gz ZJCXEGGKIZXBSX-SUMWQHHRSA-N 1 0 276.424 3.218 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+][C@@H]1CCOC3(CCCC3)C1)CC2 ZINC000296957156 263198719 /nfs/dbraw/zinc/19/87/19/263198719.db2.gz RAFUASSPCDIFMQ-CABCVRRESA-N 1 0 287.403 3.461 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)[C@@H]1CCOC1 ZINC000135213048 264559363 /nfs/dbraw/zinc/55/93/63/264559363.db2.gz CPZHQPVXFXKJAM-DOTOQJQBSA-N 1 0 288.435 3.192 20 10 CGCDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cc1c(O)cccc1Cl ZINC000368043419 267141322 /nfs/dbraw/zinc/14/13/22/267141322.db2.gz PMAFSOSEYZTCNX-STQMWFEESA-N 1 0 294.826 3.104 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCc3c[nH]nc3C2)cc1 ZINC000370663793 267336451 /nfs/dbraw/zinc/33/64/51/267336451.db2.gz YMSOFUDXGSLAIW-BBRMVZONSA-N 1 0 298.434 3.074 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1CCCc2nn(C)cc21)c1ccccc1O ZINC000282441069 276533920 /nfs/dbraw/zinc/53/39/20/276533920.db2.gz NBLHDWIIKUDGDS-HUUCEWRRSA-N 1 0 285.391 3.244 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCc3c2cccc3O)cc1 ZINC000036852465 276883643 /nfs/dbraw/zinc/88/36/43/276883643.db2.gz BZEISEDSQHWYGP-QGZVFWFLSA-N 1 0 282.387 3.235 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CCc2cccc(O)c21)c1cccnc1 ZINC000296210961 278387398 /nfs/dbraw/zinc/38/73/98/278387398.db2.gz ZHRGUQSTGROXCI-RISCZKNCSA-N 1 0 254.333 3.125 20 10 CGCDRO C[C@@H]1C[C@@H](CC[NH2+][C@H]2CCc3cccc(O)c32)CCO1 ZINC000296609616 278889653 /nfs/dbraw/zinc/88/96/53/278889653.db2.gz YIZHPOVCXSMZSI-IPYPFGDCSA-N 1 0 275.392 3.174 20 10 CGCDRO C[C@H]1Oc2ccccc2[C@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000288516668 280086592 /nfs/dbraw/zinc/08/65/92/280086592.db2.gz JGBLEBDBYGTITJ-ACJLOTCBSA-N 1 0 282.387 3.364 20 10 CGCDRO C[C@H](CCO)C1(C[NH2+][C@H]2CCc3cccc(O)c32)CCC1 ZINC000296826436 289495303 /nfs/dbraw/zinc/49/53/03/289495303.db2.gz MIFDJHJUIHRKLS-HIFRSBDPSA-N 1 0 289.419 3.158 20 10 CGCDRO Cc1ccccc1[C@@H](O)C[NH2+][C@@H](C)c1ccccc1O ZINC000179903121 327803671 /nfs/dbraw/zinc/80/36/71/327803671.db2.gz VXPIMZDYOQUMMB-GUYCJALGSA-N 1 0 271.360 3.085 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](CO)c2ccccc2)c1 ZINC000185652170 327842206 /nfs/dbraw/zinc/84/22/06/327842206.db2.gz MCBIMORQLISYHH-GOEBONIOSA-N 1 0 285.387 3.127 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(CO)c2)c(O)c1 ZINC000185373359 327915257 /nfs/dbraw/zinc/91/52/57/327915257.db2.gz VGPCEPMACFPDDO-CYBMUJFWSA-N 1 0 271.360 3.044 20 10 CGCDRO COC[C@@H]1CCCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000375097300 329000569 /nfs/dbraw/zinc/00/05/69/329000569.db2.gz QVSLWSJQIHITIL-GFCCVEGCSA-N 1 0 283.799 3.294 20 10 CGCDRO C[C@H]([NH2+]Cc1ccccc1O)c1nccn1-c1ccccc1 ZINC000377410363 329014693 /nfs/dbraw/zinc/01/46/93/329014693.db2.gz XDWSNHVZRROHGN-AWEZNQCLSA-N 1 0 293.370 3.429 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]CCCC(F)(F)F)c1O ZINC000228675427 329059183 /nfs/dbraw/zinc/05/91/83/329059183.db2.gz HGFGPJRGOZDJIR-UHFFFAOYSA-N 1 0 297.704 3.486 20 10 CGCDRO Oc1ccccc1C[NH+]1CCC(Oc2ccccc2)CC1 ZINC000179559081 329209698 /nfs/dbraw/zinc/20/96/98/329209698.db2.gz YQRRMQBPLOREPC-UHFFFAOYSA-N 1 0 283.371 3.436 20 10 CGCDRO COc1cccc2c1OC[C@@H]([NH2+][C@H](C)c1ccccc1O)C2 ZINC000183488549 329248117 /nfs/dbraw/zinc/24/81/17/329248117.db2.gz MQROFSHDLDPVOA-OCCSQVGLSA-N 1 0 299.370 3.055 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+][C@H]1CCOc2c(F)cccc21 ZINC000191197324 329410258 /nfs/dbraw/zinc/41/02/58/329410258.db2.gz JEJLLDIDQJFZAZ-AWEZNQCLSA-N 1 0 291.297 3.284 20 10 CGCDRO CC[C@@H](NCc1c(C)c2ccccc2n1C)[C@@H]1CCC[NH2+]1 ZINC000423089569 330169132 /nfs/dbraw/zinc/16/91/32/330169132.db2.gz VLJGMGMOXKQLBL-CVEARBPZSA-N 1 0 285.435 3.107 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCCOC2)c2c1c(F)ccc2O ZINC000527935734 330297959 /nfs/dbraw/zinc/29/79/59/330297959.db2.gz YOXFFSUFXRGOEI-DYEKYZERSA-N 1 0 293.382 3.486 20 10 CGCDRO CCO[C@@]1(C)C[C@H]1[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000527978674 330302330 /nfs/dbraw/zinc/30/23/30/330302330.db2.gz LFSYEWKWYCNGFL-FZQKWOKYSA-N 1 0 269.772 3.264 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)CCCO)c(O)c1 ZINC000230666423 333320252 /nfs/dbraw/zinc/32/02/52/333320252.db2.gz BESSAYYVONKFQY-CYBMUJFWSA-N 1 0 265.397 3.150 20 10 CGCDRO CCC1(C[NH2+][C@H](C)c2ccccc2O)CCOCC1 ZINC000272806765 334756543 /nfs/dbraw/zinc/75/65/43/334756543.db2.gz CKRXUADYEZIQHV-CYBMUJFWSA-N 1 0 263.381 3.250 20 10 CGCDRO CCOCc1cc(C[NH2+][C@H]2CC2(C)C)ccc1OC ZINC000299462284 520186890 /nfs/dbraw/zinc/18/68/90/520186890.db2.gz FMCVGNIDBACIQG-HNNXBMFYSA-N 1 0 263.381 3.120 20 10 CGCDRO CCC[C@H](O)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000268889157 521192248 /nfs/dbraw/zinc/19/22/48/521192248.db2.gz NLKPAFLYYQXAOO-YJBOKZPZSA-N 1 0 290.451 3.489 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CCS[C@@H](CC)C2)c1O ZINC000093502181 521341799 /nfs/dbraw/zinc/34/17/99/521341799.db2.gz NYRZULVOXRCMMC-ZDUSSCGKSA-N 1 0 281.421 3.118 20 10 CGCDRO CCc1nnc([C@H](C)[NH2+][C@@H](CC)c2ccc(C)cc2O)[nH]1 ZINC000280177840 522453299 /nfs/dbraw/zinc/45/32/99/522453299.db2.gz RMSVHMVCWYWTRO-AAEUAGOBSA-N 1 0 288.395 3.183 20 10 CGCDRO CC[C@H]([NH2+]Cc1cccc(CO)c1)c1ccc(C)cc1O ZINC000280295982 522653053 /nfs/dbraw/zinc/65/30/53/522653053.db2.gz ZOEVNRJQIFQSNV-KRWDZBQOSA-N 1 0 285.387 3.434 20 10 CGCDRO CC[C@H]([NH2+]Cc1nccs1)c1ccc(C)cc1O ZINC000279996203 522669546 /nfs/dbraw/zinc/66/95/46/522669546.db2.gz FQLYFSXLIANRPZ-LBPRGKRZSA-N 1 0 262.378 3.398 20 10 CGCDRO CC[C@H]([NH2+][C@H](CO)CC(C)C)c1ccc(C)cc1O ZINC000279983269 522748017 /nfs/dbraw/zinc/74/80/17/522748017.db2.gz DVBIUDSVWNQGGI-ZFWWWQNUSA-N 1 0 265.397 3.148 20 10 CGCDRO CC[C@H]([NH2+][C@H](CO)CC(C)(C)C)c1ccccc1O ZINC000156813984 522748703 /nfs/dbraw/zinc/74/87/03/522748703.db2.gz VRRAQJDFNQKKPE-JSGCOSHPSA-N 1 0 265.397 3.230 20 10 CGCDRO CC[C@@H]([NH2+]CCC(O)(CC)CC)c1ccccc1O ZINC000276627390 522824994 /nfs/dbraw/zinc/82/49/94/522824994.db2.gz IUHRQJCGIRADRC-CQSZACIVSA-N 1 0 265.397 3.374 20 10 CGCDRO CC[C@@H]([NH2+]CCCOC[C@@H]1CCCO1)c1ccccc1O ZINC000020146780 522829075 /nfs/dbraw/zinc/82/90/75/522829075.db2.gz MFAZUXBDMNAJEY-GOEBONIOSA-N 1 0 293.407 3.019 20 10 CGCDRO COc1ccc(C[NH2+]CCc2nc(C)cs2)cc1C ZINC000057399269 524070937 /nfs/dbraw/zinc/07/09/37/524070937.db2.gz IFJJGKCHAMWPFG-UHFFFAOYSA-N 1 0 276.405 3.101 20 10 CGCDRO COc1ccc(C[NH2+]Cc2cnc(C)s2)cc1C ZINC000040997797 524073290 /nfs/dbraw/zinc/07/32/90/524073290.db2.gz HQECKLDVNMUEFX-UHFFFAOYSA-N 1 0 262.378 3.058 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(F)c2)c1 ZINC000020473389 524763901 /nfs/dbraw/zinc/76/39/01/524763901.db2.gz AKQPHAGHEHXWAK-LLVKDONJSA-N 1 0 275.323 3.391 20 10 CGCDRO Cc1ccccc1NC(=O)CC[N@@H+](C)Cc1ccccc1O ZINC000072629586 525233321 /nfs/dbraw/zinc/23/33/21/525233321.db2.gz IBDTXXGDYFVRAM-UHFFFAOYSA-N 1 0 298.386 3.161 20 10 CGCDRO Cc1cc(O)c(C[N@H+](C)Cc2ccc(O)cc2)cc1C ZINC000290303414 525312020 /nfs/dbraw/zinc/31/20/20/525312020.db2.gz BMQRPBMTKBLSSC-UHFFFAOYSA-N 1 0 271.360 3.347 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]CCc2nc3c(cccc3C)o2)c1 ZINC000266298809 525348765 /nfs/dbraw/zinc/34/87/65/525348765.db2.gz LYTRUUQMNNUJDT-UHFFFAOYSA-N 1 0 296.370 3.483 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)c1 ZINC000290555619 525352912 /nfs/dbraw/zinc/35/29/12/525352912.db2.gz SAFRFRGKJGNMTL-BPQIPLTHSA-N 1 0 265.356 3.129 20 10 CGCDRO C[C@H]([NH2+]C[C@H](c1ccco1)N(C)C)c1cc(F)ccc1O ZINC000094616821 525411695 /nfs/dbraw/zinc/41/16/95/525411695.db2.gz AYBXUSHARSSMLZ-SMDDNHRTSA-N 1 0 292.354 3.078 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)CN1CCCCC1)c1cc(F)ccc1O ZINC000094617551 525598798 /nfs/dbraw/zinc/59/87/98/525598798.db2.gz FECUAQHEDGALFF-QWHCGFSZSA-N 1 0 280.387 3.056 20 10 CGCDRO CSC[C@H]1CCC[N@H+](Cc2cccc(C)c2O)C1 ZINC000292679926 525708461 /nfs/dbraw/zinc/70/84/61/525708461.db2.gz AOOBSEOJBSHXLU-ZDUSSCGKSA-N 1 0 265.422 3.276 20 10 CGCDRO COc1cccc(C[N@H+](C)[C@@H](C)c2ccco2)c1O ZINC000131106221 525917231 /nfs/dbraw/zinc/91/72/31/525917231.db2.gz WHICIYHZXYYATD-NSHDSACASA-N 1 0 261.321 3.187 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCOC[C@@H]2C)c(O)c1C ZINC000278757312 525937265 /nfs/dbraw/zinc/93/72/65/525937265.db2.gz XICLTSWYJKXDGV-CORIIIEPSA-N 1 0 263.381 3.085 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H]2CCO)c(O)c1C ZINC000275115308 525945339 /nfs/dbraw/zinc/94/53/39/525945339.db2.gz ISYSMLYZNVPGFX-DZKIICNBSA-N 1 0 277.408 3.211 20 10 CGCDRO COc1cccc(C[NH2+]Cc2ccc(C)c(C)c2)c1O ZINC000265023952 526023214 /nfs/dbraw/zinc/02/32/14/526023214.db2.gz DIUSVLVIYWUMEP-UHFFFAOYSA-N 1 0 271.360 3.307 20 10 CGCDRO Cc1csc(C[NH2+][C@H](C)c2cc(F)ccc2O)n1 ZINC000094617788 526361034 /nfs/dbraw/zinc/36/10/34/526361034.db2.gz PGOJVRFWJPFQBR-SECBINFHSA-N 1 0 266.341 3.147 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]Cc1ccccc1F)CC2 ZINC000296054550 526368856 /nfs/dbraw/zinc/36/88/56/526368856.db2.gz RIDUHGGGHBKEFI-CQSZACIVSA-N 1 0 257.308 3.308 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(C)c(C)c1O)C(C)(C)O ZINC000294857908 529200499 /nfs/dbraw/zinc/20/04/99/529200499.db2.gz BTZSPINPSXLJNI-GXTWGEPZSA-N 1 0 265.397 3.209 20 10 CGCDRO CCC[C@@](C)(O)C[NH2+]Cc1ccc(N(CC)CC)c(F)c1 ZINC000740007600 572428675 /nfs/dbraw/zinc/42/86/75/572428675.db2.gz VHMLGDPTFZIYGW-QGZVFWFLSA-N 1 0 296.430 3.313 20 10 CGCDRO CC(C)OCCC[N@H+](C)Cc1cc2c(cc1O)CCC2 ZINC000740858930 572461498 /nfs/dbraw/zinc/46/14/98/572461498.db2.gz MGRHQSNAZGOJHJ-UHFFFAOYSA-N 1 0 277.408 3.128 20 10 CGCDRO Cc1cccc(F)c1C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000742381101 572572988 /nfs/dbraw/zinc/57/29/88/572572988.db2.gz WWOULHKWSDTUFJ-UHFFFAOYSA-N 1 0 272.367 3.490 20 10 CGCDRO COc1ccc(C[NH2+][C@H](CO)[C@H](C)c2ccccc2)cc1C ZINC000734846365 572686930 /nfs/dbraw/zinc/68/69/30/572686930.db2.gz SWJZCDZYAFZVSV-CRAIPNDOSA-N 1 0 299.414 3.258 20 10 CGCDRO COc1cccc(C[NH2+][C@@H](C)Cc2cccc(F)c2)c1O ZINC000735509142 572727134 /nfs/dbraw/zinc/72/71/34/572727134.db2.gz WAGOXXCGHZLBOU-LBPRGKRZSA-N 1 0 289.350 3.261 20 10 CGCDRO COC[C@H](Cc1ccccc1)[NH2+]Cc1cc(C)ccc1O ZINC000747100959 572909932 /nfs/dbraw/zinc/90/99/32/572909932.db2.gz ZMHQYJTYKMQEAT-KRWDZBQOSA-N 1 0 285.387 3.048 20 10 CGCDRO Cc1cc(CC[NH2+][C@H]2CCO[C@@H]2C)c(C)n1-c1ccccc1 ZINC000747859624 572951611 /nfs/dbraw/zinc/95/16/11/572951611.db2.gz OMRKQARSCVEQOK-APWZRJJASA-N 1 0 298.430 3.404 20 10 CGCDRO CCC(CC)(CC(=O)OC)[NH2+]Cc1cc(C)c(C)cc1O ZINC000749288136 572991650 /nfs/dbraw/zinc/99/16/50/572991650.db2.gz UXRUPOVMZBOWMP-UHFFFAOYSA-N 1 0 293.407 3.221 20 10 CGCDRO CN(c1ccc(C[NH2+]Cc2cn[nH]c2)cc1)C1CCCCC1 ZINC000749915764 573057437 /nfs/dbraw/zinc/05/74/37/573057437.db2.gz PNKCJOJTUPEHKZ-UHFFFAOYSA-N 1 0 298.434 3.468 20 10 CGCDRO COc1cc(C[N@@H+]2CCSC(C)(C)C2)c(O)cc1C ZINC000160376512 618028207 /nfs/dbraw/zinc/02/82/07/618028207.db2.gz XCYQSJAWNDHYFT-UHFFFAOYSA-N 1 0 281.421 3.037 20 10 CGCDRO C[C@@H]([NH2+]CCN1CCCC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000246873356 617657211 /nfs/dbraw/zinc/65/72/11/617657211.db2.gz DNWUOMLRQVVGRS-JKSUJKDBSA-N 1 0 289.467 3.278 20 10 CGCDRO C[C@@H]1C[NH+](Cc2c(O)cccc2Cl)C[C@@H](C)S1 ZINC000120516886 617717098 /nfs/dbraw/zinc/71/70/98/617717098.db2.gz JDCUCFGUHVKCPY-NXEZZACHSA-N 1 0 271.813 3.371 20 10 CGCDRO CCOc1cccc(C[N@H+](C)Cc2c(C)noc2C)c1O ZINC000091812640 617792622 /nfs/dbraw/zinc/79/26/22/617792622.db2.gz RJGPMTQNTIAVEQ-UHFFFAOYSA-N 1 0 290.363 3.028 20 10 CGCDRO CC[C@H]1C[N@H+](Cc2cc(OC)c(C)cc2O)CCS1 ZINC000160320836 617956191 /nfs/dbraw/zinc/95/61/91/617956191.db2.gz DBTRDIZCLRTFPR-ZDUSSCGKSA-N 1 0 281.421 3.037 20 10 CGCDRO CC[N@H+](Cc1ccc(OC)c(OC)c1O)C1CCCC1 ZINC000891618443 618242226 /nfs/dbraw/zinc/24/22/26/618242226.db2.gz ASBYWZFZBWURCA-UHFFFAOYSA-N 1 0 279.380 3.174 20 10 CGCDRO CCC(C)(C)OCC[NH2+][C@H](C)c1ccccc1O ZINC000308531169 618243446 /nfs/dbraw/zinc/24/34/46/618243446.db2.gz AHILTQAWYABCQL-GFCCVEGCSA-N 1 0 251.370 3.248 20 10 CGCDRO CCn1ccc(C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)n1 ZINC000840840419 618246588 /nfs/dbraw/zinc/24/65/88/618246588.db2.gz KCNZOANHHSGRFH-ZWNOBZJWSA-N 1 0 289.354 3.086 20 10 CGCDRO CC[C@@H]1CCC[N@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000891708287 618252386 /nfs/dbraw/zinc/25/23/86/618252386.db2.gz WOAZLPZPIBWGJX-GFCCVEGCSA-N 1 0 279.380 3.031 20 10 CGCDRO C[C@H]1CCCC[C@]1(C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000308708478 618354099 /nfs/dbraw/zinc/35/40/99/618354099.db2.gz KZKKQLMKZCXYID-ZBEGNZNMSA-N 1 0 277.364 3.179 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCCO[C@H](C)C2)cc1F ZINC000179396838 618781587 /nfs/dbraw/zinc/78/15/87/618781587.db2.gz OZEMXQMNJKYGCR-CQSZACIVSA-N 1 0 294.414 3.283 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCn3cccc3[C@@H]2C)cc1C ZINC000179565536 618795343 /nfs/dbraw/zinc/79/53/43/618795343.db2.gz PKHDUZIXKRLQJH-AWEZNQCLSA-N 1 0 270.376 3.387 20 10 CGCDRO CC[C@@H]([NH2+]CCSC)c1ccc(N(C)C)cc1 ZINC000154777564 618830619 /nfs/dbraw/zinc/83/06/19/618830619.db2.gz PIOFRJFEVWWYFF-CQSZACIVSA-N 1 0 252.427 3.156 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCS[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000310757391 618856369 /nfs/dbraw/zinc/85/63/69/618856369.db2.gz ADTNCIKGTCGSJS-ZOWXZIJZSA-N 1 0 264.438 3.297 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CC2(O)CCCC2)cc1 ZINC000164198582 618893242 /nfs/dbraw/zinc/89/32/42/618893242.db2.gz BGDFIZHEGJKTFD-AWEZNQCLSA-N 1 0 276.424 3.098 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCSC2)c1 ZINC000168814868 618914252 /nfs/dbraw/zinc/91/42/52/618914252.db2.gz WSEQCMZVWLWHNU-RYUDHWBXSA-N 1 0 251.395 3.247 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCS[C@H]1C ZINC000783628895 618914661 /nfs/dbraw/zinc/91/46/61/618914661.db2.gz NDNQCPDSDBLXIG-WFASDCNBSA-N 1 0 264.438 3.045 20 10 CGCDRO CC(C)C[C@@H](CO)[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000185114196 625304717 /nfs/dbraw/zinc/30/47/17/625304717.db2.gz UCLKJKLEVGNJMC-CJNGLKHVSA-N 1 0 291.435 3.329 20 10 CGCDRO Cc1ccc(C[NH2+][C@H](C)c2ccccc2O)nc1C ZINC000314149294 618960155 /nfs/dbraw/zinc/96/01/55/618960155.db2.gz KRZZMZCRPLUNEV-CYBMUJFWSA-N 1 0 256.349 3.255 20 10 CGCDRO CC(C)(C[NH2+]Cc1cc2c(cc1O)OCO2)C1=CCCC1 ZINC000308771791 618979412 /nfs/dbraw/zinc/97/94/12/618979412.db2.gz WOTLMPYLGITMMM-UHFFFAOYSA-N 1 0 289.375 3.347 20 10 CGCDRO C[C@H]([NH2+]CCc1ccc2c(c1)OCO2)c1ccccc1O ZINC000183387615 619044121 /nfs/dbraw/zinc/04/41/21/619044121.db2.gz PQEAGYWNQZLAGZ-LBPRGKRZSA-N 1 0 285.343 3.014 20 10 CGCDRO CC(C)Cn1ccnc1C[NH2+][C@@H](C)c1ccccc1O ZINC000183529875 619044605 /nfs/dbraw/zinc/04/46/05/619044605.db2.gz MQYDRCYEADROSV-ZDUSSCGKSA-N 1 0 273.380 3.096 20 10 CGCDRO C[C@@H](c1cccs1)[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000024602637 619046938 /nfs/dbraw/zinc/04/69/38/619046938.db2.gz IBKGXGWRQGGMJV-JTQLQIEISA-N 1 0 291.372 3.375 20 10 CGCDRO C[C@H](c1cccs1)[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000024602635 619162993 /nfs/dbraw/zinc/16/29/93/619162993.db2.gz IBKGXGWRQGGMJV-SNVBAGLBSA-N 1 0 291.372 3.375 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C[C@H](C)O)C(C)C)cc1 ZINC000093145540 619169305 /nfs/dbraw/zinc/16/93/05/619169305.db2.gz HPVAPEFLWLSYFJ-HNNXBMFYSA-N 1 0 278.440 3.124 20 10 CGCDRO Cc1cc(Br)cc(C[N@@H+](C)C(C)C)c1O ZINC000162805965 619175281 /nfs/dbraw/zinc/17/52/81/619175281.db2.gz BIXISHZGYYHAJD-UHFFFAOYSA-N 1 0 272.186 3.303 20 10 CGCDRO Cc1cc(Br)cc(C[NH+]2CCCCC2)c1O ZINC000162820912 619208697 /nfs/dbraw/zinc/20/86/97/619208697.db2.gz HASJYPIJXZZPNM-UHFFFAOYSA-N 1 0 284.197 3.449 20 10 CGCDRO C[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])CC(C)(C)C[NH3+] ZINC000093861129 619218619 /nfs/dbraw/zinc/21/86/19/619218619.db2.gz WJBJGEQWZDTVKY-UHFFFAOYSA-N 1 0 291.222 3.116 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCN(C)Cc2ccccc2)c1 ZINC000185111340 619222007 /nfs/dbraw/zinc/22/20/07/619222007.db2.gz WTOQGGXXXWOVDS-MRXNPFEDSA-N 1 0 298.430 3.483 20 10 CGCDRO Cc1ncsc1C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000094618188 619260837 /nfs/dbraw/zinc/26/08/37/619260837.db2.gz LHKRTVXPWMTZIG-MRVPVSSYSA-N 1 0 266.341 3.147 20 10 CGCDRO CCOc1ccc(C[NH2+]CC(C)(C)OCC2CC2)c(O)c1 ZINC000840960192 619278565 /nfs/dbraw/zinc/27/85/65/619278565.db2.gz GFGXWXUIFAHWJK-UHFFFAOYSA-N 1 0 293.407 3.086 20 10 CGCDRO C[C@H]([NH2+]CCN1CCCCCC1)c1cc(F)ccc1O ZINC000094617827 619285427 /nfs/dbraw/zinc/28/54/27/619285427.db2.gz RBJITEUQEYPMNX-ZDUSSCGKSA-N 1 0 280.387 3.058 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H](SC)C2)cc1C ZINC000230699142 619287716 /nfs/dbraw/zinc/28/77/16/619287716.db2.gz OXEKXANICFVMDX-ZIAGYGMSSA-N 1 0 265.422 3.377 20 10 CGCDRO CCCCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2O)C1(C)C ZINC000236853520 619290778 /nfs/dbraw/zinc/29/07/78/619290778.db2.gz XZQPNOPAPVMUNN-JKSUJKDBSA-N 1 0 277.408 3.466 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)c1O ZINC000893864839 619324136 /nfs/dbraw/zinc/32/41/36/619324136.db2.gz FJUZYCHPYCAUAC-OAHLLOKOSA-N 1 0 286.375 3.374 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)[C@@H](O)Cc2ccccc2)c1 ZINC000248491011 619380807 /nfs/dbraw/zinc/38/08/07/619380807.db2.gz ILDGRANWOOKBHL-DOXZYTNZSA-N 1 0 299.414 3.343 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]CCc2ccccc2)c1 ZINC000237042751 619395492 /nfs/dbraw/zinc/39/54/92/619395492.db2.gz SPMOZKKYOBJHCJ-UHFFFAOYSA-N 1 0 271.360 3.123 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@H](C)Cc2ccsc2)c1O ZINC000894198990 619410822 /nfs/dbraw/zinc/41/08/22/619410822.db2.gz ISEDLGLYVXHLAG-GFCCVEGCSA-N 1 0 291.416 3.492 20 10 CGCDRO CCCC(C)(C)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894228349 619432014 /nfs/dbraw/zinc/43/20/14/619432014.db2.gz BHEPGQTUAHNJOP-UHFFFAOYSA-N 1 0 251.370 3.378 20 10 CGCDRO CCC(C)(CC)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894259823 619449613 /nfs/dbraw/zinc/44/96/13/619449613.db2.gz YPWIJTSQDWWHBW-UHFFFAOYSA-N 1 0 251.370 3.378 20 10 CGCDRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1ccc(OC)c(OC)c1O ZINC000894499016 619554083 /nfs/dbraw/zinc/55/40/83/619554083.db2.gz MWBHDFVXGCRVGU-WCQYABFASA-N 1 0 279.380 3.172 20 10 CGCDRO COc1cc(C)cc(C[NH2+]C[C@H]2CCC(F)(F)C2)c1O ZINC000894645471 619594462 /nfs/dbraw/zinc/59/44/62/619594462.db2.gz QTWCRJOSGPINGJ-NSHDSACASA-N 1 0 285.334 3.234 20 10 CGCDRO COc1cc(C)cc(C[NH2+]CC(C)(C)C(F)(F)F)c1O ZINC000894671928 619599908 /nfs/dbraw/zinc/59/99/08/619599908.db2.gz LIQCEVCBMWHWCB-UHFFFAOYSA-N 1 0 291.313 3.387 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@H]2c3ccccc3O[C@@H]2C)c1O ZINC000894785978 619635440 /nfs/dbraw/zinc/63/54/40/619635440.db2.gz BHAXZTOIUVHFOB-SJKOYZFVSA-N 1 0 299.370 3.321 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(OC)c(OC)c1O)[C@H]1CC1(C)C ZINC000894955758 619686696 /nfs/dbraw/zinc/68/66/96/619686696.db2.gz RFTBWSVEHWMJBO-OLZOCXBDSA-N 1 0 293.407 3.324 20 10 CGCDRO CC[C@H](COC)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000185504092 625365730 /nfs/dbraw/zinc/36/57/30/625365730.db2.gz JXMYYYQLBFXZNT-SWLSCSKDSA-N 1 0 277.408 3.347 20 10 CGCDRO CN(CCC[NH2+][C@@H]1CCc2cccc(O)c21)c1ccccc1 ZINC000320112432 619743185 /nfs/dbraw/zinc/74/31/85/619743185.db2.gz MWFRPRMSYOEWAL-QGZVFWFLSA-N 1 0 296.414 3.496 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cc(C)cc(OC)c1O)[C@@H]1CCCCO1 ZINC000895190530 619774604 /nfs/dbraw/zinc/77/46/04/619774604.db2.gz SPZOYJWNXLTUGA-CABCVRRESA-N 1 0 293.407 3.147 20 10 CGCDRO CC[C@H]([NH2+][C@@H](CO)CC(F)(F)F)c1ccc(C)cc1O ZINC000794817128 619775067 /nfs/dbraw/zinc/77/50/67/619775067.db2.gz PJDPILZAEOKJAY-PWSUYJOCSA-N 1 0 291.313 3.055 20 10 CGCDRO Clc1ncc(C[NH2+]Cc2ccc3c(c2)CCCO3)s1 ZINC000895193927 619775726 /nfs/dbraw/zinc/77/57/26/619775726.db2.gz WLSHMZNXAJPLJD-UHFFFAOYSA-N 1 0 294.807 3.411 20 10 CGCDRO COc1ccc(C[NH2+]C(C)(C2CC2)C2CC2)c(O)c1OC ZINC000895441273 619830096 /nfs/dbraw/zinc/83/00/96/619830096.db2.gz RKTZTHXIUGGLNX-UHFFFAOYSA-N 1 0 291.391 3.078 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]Cc2nccn2CC(C)C)c(O)c1 ZINC000185546123 625374389 /nfs/dbraw/zinc/37/43/89/625374389.db2.gz PNSPXLNMTGTHKM-AWEZNQCLSA-N 1 0 287.407 3.404 20 10 CGCDRO Oc1ccc(F)cc1C[NH+]1CCC2(CCCCO2)CC1 ZINC000895654749 619864569 /nfs/dbraw/zinc/86/45/69/619864569.db2.gz XZNDTFNDZWOSRB-UHFFFAOYSA-N 1 0 279.355 3.066 20 10 CGCDRO Oc1c(C[N@@H+]2C[C@@H]3CSC[C@@H]3C2)ccc2ccccc21 ZINC000895778621 619884984 /nfs/dbraw/zinc/88/49/84/619884984.db2.gz AWTGQEQWCGDSSM-GASCZTMLSA-N 1 0 285.412 3.340 20 10 CGCDRO CSCC1CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC000896937638 620106539 /nfs/dbraw/zinc/10/65/39/620106539.db2.gz XUWBQKTVXMXVGP-UHFFFAOYSA-N 1 0 265.422 3.276 20 10 CGCDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000897269895 620175779 /nfs/dbraw/zinc/17/57/79/620175779.db2.gz SENHYWPRSYRHOP-CQSZACIVSA-N 1 0 293.382 3.170 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@]2(C)CCOc3ccccc32)c1 ZINC000897384927 620279149 /nfs/dbraw/zinc/27/91/49/620279149.db2.gz GSQVJTCNDMWKJF-GOSISDBHSA-N 1 0 299.370 3.188 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C2CC3(C2)CO[C@H](C)C3)cc1Cl ZINC000897775350 620427915 /nfs/dbraw/zinc/42/79/15/620427915.db2.gz CAHGPULZQPABJN-FFKNIBCLSA-N 1 0 295.810 3.401 20 10 CGCDRO C[C@H]([NH2+]Cc1c(O)cccc1Cl)c1cncs1 ZINC000897934260 620448722 /nfs/dbraw/zinc/44/87/22/620448722.db2.gz GMXWTJNLLSWCOX-QMMMGPOBSA-N 1 0 268.769 3.353 20 10 CGCDRO CC[C@](C)(C[NH2+][C@@H](C)c1ccc(N(C)C)cc1)OC ZINC000322964048 620527091 /nfs/dbraw/zinc/52/70/91/620527091.db2.gz VIGGKROMRVWCGS-XJKSGUPXSA-N 1 0 264.413 3.218 20 10 CGCDRO C[C@@H](C[NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1ccccc1 ZINC000841044975 620543332 /nfs/dbraw/zinc/54/33/32/620543332.db2.gz HCBFJUXBRQINGL-KXBFYZLASA-N 1 0 297.446 3.146 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCCC[C@H]([C@H]3CCOC3)C2)c1 ZINC000898516244 620595103 /nfs/dbraw/zinc/59/51/03/620595103.db2.gz ORSVBLZAYWFRDF-HOTGVXAUSA-N 1 0 289.419 3.339 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2CC[C@@H](C3CC3)O2)c1O ZINC000903251647 621641860 /nfs/dbraw/zinc/64/18/60/621641860.db2.gz JMIFPAHSAIYWRA-WHOFXGATSA-N 1 0 291.391 3.009 20 10 CGCDRO CC[C@@H]([NH2+]CC1(C2(O)CCC2)CC1)c1ccc(C)cc1O ZINC000903257999 621645571 /nfs/dbraw/zinc/64/55/71/621645571.db2.gz NROQZKDGGYHUNB-OAHLLOKOSA-N 1 0 289.419 3.437 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1C)c1ccc2ccccc2c1O ZINC000903302094 621668257 /nfs/dbraw/zinc/66/82/57/621668257.db2.gz YULUXJVKORMRPY-OGHNNQOOSA-N 1 0 284.403 3.289 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCc2cccc(O)c21)c1cncs1 ZINC000903311327 621683451 /nfs/dbraw/zinc/68/34/51/621683451.db2.gz NREVVAUHJQIEFQ-ONGXEEELSA-N 1 0 260.362 3.187 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(CCO)cc2)c(O)c1 ZINC000903403295 621740622 /nfs/dbraw/zinc/74/06/22/621740622.db2.gz OXMTVMLYXJGLFQ-OAHLLOKOSA-N 1 0 299.414 3.395 20 10 CGCDRO C[C@H]([NH2+]CCC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000163561835 622333055 /nfs/dbraw/zinc/33/30/55/622333055.db2.gz BFZLSGJDRFQXLK-ZDUSSCGKSA-N 1 0 292.423 3.135 20 10 CGCDRO CC[C@@H]([NH2+]CCc1ccccn1)c1ccc(N(C)C)cc1 ZINC000151412684 622780067 /nfs/dbraw/zinc/78/00/67/622780067.db2.gz AOGNQIQTYRXIAB-GOSISDBHSA-N 1 0 283.419 3.431 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)c1 ZINC000164495852 622837285 /nfs/dbraw/zinc/83/72/85/622837285.db2.gz CLMPPNWQURMGDB-RHSMWYFYSA-N 1 0 299.418 3.289 20 10 CGCDRO CCOC1CC([NH2+]Cc2ccc(N(CC)CC)cc2)C1 ZINC000224375941 622874801 /nfs/dbraw/zinc/87/48/01/622874801.db2.gz ZAZCBOAIZVLGNY-UHFFFAOYSA-N 1 0 276.424 3.190 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]CCSc1ccccc1 ZINC000226582902 622984400 /nfs/dbraw/zinc/98/44/00/622984400.db2.gz XCFBZQORQSTNBJ-UHFFFAOYSA-N 1 0 277.364 3.413 20 10 CGCDRO Cc1ccc(OC[C@H](C)[NH2+]Cc2cc(F)ccc2O)cc1 ZINC000226587942 622985961 /nfs/dbraw/zinc/98/59/61/622985961.db2.gz KHRQSLUOZCUWJX-ZDUSSCGKSA-N 1 0 289.350 3.397 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)C(C)(C)C)c1 ZINC000168768362 623014647 /nfs/dbraw/zinc/01/46/47/623014647.db2.gz QBXRXUAJBDMXEW-GHMZBOCLSA-N 1 0 251.370 3.486 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2CCC[C@H](C)CC2)c(O)c1 ZINC000227309284 623015334 /nfs/dbraw/zinc/01/53/34/623015334.db2.gz IRIULGXAZDNCBT-JSGCOSHPSA-N 1 0 263.381 3.459 20 10 CGCDRO COc1cccc(C[NH2+]C[C@H]2CCC[C@@H](C)C2)c1O ZINC000227439618 623019239 /nfs/dbraw/zinc/01/92/39/623019239.db2.gz AOOKKEIZTCUXLI-OLZOCXBDSA-N 1 0 263.381 3.317 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]Cc2cccc(C)n2)c1O ZINC000228671332 623069661 /nfs/dbraw/zinc/06/96/61/623069661.db2.gz BDSFUWLGWYOCCC-UHFFFAOYSA-N 1 0 292.766 3.047 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CC[C@@H](C)C2)c1 ZINC000230404681 623241318 /nfs/dbraw/zinc/24/13/18/623241318.db2.gz ODVVTRMBWOGUOU-FRRDWIJNSA-N 1 0 263.381 3.488 20 10 CGCDRO CC[C@@H]([NH3+])C[NH2+][C@@H](CC)c1ccc(Cl)c(Cl)c1[O-] ZINC000817980997 625632801 /nfs/dbraw/zinc/63/28/01/625632801.db2.gz YUBJWYOTIHCZLI-KCJUWKMLSA-N 1 0 291.222 3.477 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC2(C)CCOCC2)c1 ZINC000230668237 623258331 /nfs/dbraw/zinc/25/83/31/623258331.db2.gz UCILZKQVZYAMRE-CYBMUJFWSA-N 1 0 263.381 3.168 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCc2nc(C)cs2)c1 ZINC000063132456 623301808 /nfs/dbraw/zinc/30/18/08/623301808.db2.gz XEAISAGATITXJK-NSHDSACASA-N 1 0 292.404 3.059 20 10 CGCDRO CC[C@@H]1C[N@H+](Cc2cc(C)c(C)cc2O)CCS1 ZINC000173510419 623329035 /nfs/dbraw/zinc/32/90/35/623329035.db2.gz SIPIDEOIYBINDT-CQSZACIVSA-N 1 0 265.422 3.336 20 10 CGCDRO CC(C)[C@@H](CNCc1c(O)cccc1Cl)[NH+]1CCCC1 ZINC000083551799 625646482 /nfs/dbraw/zinc/64/64/82/625646482.db2.gz BUQFSKKEPIODHV-OAHLLOKOSA-N 1 0 296.842 3.256 20 10 CGCDRO O=[N+]([O-])c1cc(C[NH+]2CCCC2)ccc1N1CCCCC1 ZINC000915226685 623923295 /nfs/dbraw/zinc/92/32/95/623923295.db2.gz ACOSBYIJHAQDPI-UHFFFAOYSA-N 1 0 289.379 3.181 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@H](C2CC2)C2CCC2)c1 ZINC000324643979 624073460 /nfs/dbraw/zinc/07/34/60/624073460.db2.gz ADENMJIYYIJINJ-INIZCTEOSA-N 1 0 261.365 3.069 20 10 CGCDRO C[N@H+](CCc1ccc(F)cc1)Cc1cc(F)ccc1O ZINC000179948618 624699472 /nfs/dbraw/zinc/69/94/72/624699472.db2.gz ZXHWXVXPXMDDDU-UHFFFAOYSA-N 1 0 277.314 3.345 20 10 CGCDRO C[N@H+](Cc1cccc(C#N)c1)Cc1cc(F)ccc1O ZINC000179928988 624699810 /nfs/dbraw/zinc/69/98/10/624699810.db2.gz DPQHCETTZOKHIH-UHFFFAOYSA-N 1 0 270.307 3.035 20 10 CGCDRO Oc1ccccc1C[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000238102523 624733937 /nfs/dbraw/zinc/73/39/37/624733937.db2.gz MARAZLSULXMAJG-HNNXBMFYSA-N 1 0 282.387 3.008 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C(C2CCC2)C2CCC2)c1 ZINC000324869433 624864920 /nfs/dbraw/zinc/86/49/20/624864920.db2.gz BRXSUYFHXGGGBN-UHFFFAOYSA-N 1 0 275.392 3.459 20 10 CGCDRO CCc1nc(C[NH2+][C@H](C)c2cc(OC)ccc2O)cs1 ZINC000182363250 624992219 /nfs/dbraw/zinc/99/22/19/624992219.db2.gz UHMFAXCQYYNONA-SNVBAGLBSA-N 1 0 292.404 3.271 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ncc(C)s2)c1 ZINC000182381447 624995103 /nfs/dbraw/zinc/99/51/03/624995103.db2.gz WFKKYFYNCKXKDE-SNVBAGLBSA-N 1 0 278.377 3.017 20 10 CGCDRO CC(=O)Nc1ccc(C[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000183395353 625067919 /nfs/dbraw/zinc/06/79/19/625067919.db2.gz MMGIYDZJGNRYKM-GFCCVEGCSA-N 1 0 284.359 3.201 20 10 CGCDRO C[C@H]1Cc2cc(C[NH2+]Cc3ccc4c(c3)CCO4)ccc2O1 ZINC000921652766 625807948 /nfs/dbraw/zinc/80/79/48/625807948.db2.gz YCTOSPNRQCRFLG-ZDUSSCGKSA-N 1 0 295.382 3.235 20 10 CGCDRO Cc1ccccc1[C@@H](CO)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921808448 625884126 /nfs/dbraw/zinc/88/41/26/625884126.db2.gz FCMPVASXQHDPPS-GOSISDBHSA-N 1 0 297.398 3.143 20 10 CGCDRO CCOCCC1(C[NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000921925500 625932422 /nfs/dbraw/zinc/93/24/22/625932422.db2.gz VFVCXHSFBDOGPO-UHFFFAOYSA-N 1 0 289.419 3.308 20 10 CGCDRO COCC1CCC([NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000922185563 625981555 /nfs/dbraw/zinc/98/15/55/625981555.db2.gz NPCGIASRZOGXFC-UHFFFAOYSA-N 1 0 289.419 3.306 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](CCO)c2ccco2)c(O)c1 ZINC000186520111 625985470 /nfs/dbraw/zinc/98/54/70/625985470.db2.gz VQMYQBJAGRIDBU-JSGCOSHPSA-N 1 0 275.348 3.068 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)[C@H]1CCCOC1 ZINC000922335403 625999661 /nfs/dbraw/zinc/99/96/61/625999661.db2.gz RUIDCOZNLABNMH-IRXDYDNUSA-N 1 0 289.419 3.306 20 10 CGCDRO Oc1ccccc1C[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000922585338 626016745 /nfs/dbraw/zinc/01/67/45/626016745.db2.gz FFOOHMJZTPHSDY-MRXNPFEDSA-N 1 0 254.333 3.028 20 10 CGCDRO COc1cccc(C[NH2+][C@@H](c2ccccn2)C2CC2)c1O ZINC000922586861 626017230 /nfs/dbraw/zinc/01/72/30/626017230.db2.gz RZLBXDRVBDZYQQ-MRXNPFEDSA-N 1 0 284.359 3.037 20 10 CGCDRO C[C@@H]1COC[C@@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000922643975 626023773 /nfs/dbraw/zinc/02/37/73/626023773.db2.gz YJCXUBJVXWHUKU-DYVFJYSZSA-N 1 0 283.371 3.184 20 10 CGCDRO COc1cccc(C[NH2+]Cc2ccc3c(c2)C[C@@H](C)O3)c1O ZINC000922701863 626036353 /nfs/dbraw/zinc/03/63/53/626036353.db2.gz BHXQZMSGYGVLCO-GFCCVEGCSA-N 1 0 299.370 3.014 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2C[C@H]2C(F)(F)F)cc1F ZINC000922732088 626040710 /nfs/dbraw/zinc/04/07/10/626040710.db2.gz WDMDTLXWWKLARF-WDEREUQCSA-N 1 0 290.304 3.180 20 10 CGCDRO C[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)CCS1 ZINC000922833282 626052582 /nfs/dbraw/zinc/05/25/82/626052582.db2.gz FXNLZOYLQRJWOH-SWLSCSKDSA-N 1 0 277.433 3.385 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](C)c2ccn(C)n2)cc1 ZINC000840816445 626273847 /nfs/dbraw/zinc/27/38/47/626273847.db2.gz NIQVOKIDNNFYGY-KBPBESRZSA-N 1 0 286.423 3.288 20 10 CGCDRO CCO[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(C)c2O)C1 ZINC000839147834 626317572 /nfs/dbraw/zinc/31/75/72/626317572.db2.gz SCHGLCSSBKHRLG-BETUJISGSA-N 1 0 269.772 3.011 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2C[C@@H](OC(C)C)C2)c1 ZINC000839147584 626317640 /nfs/dbraw/zinc/31/76/40/626317640.db2.gz NWWCUTUMDFLPHP-BZPMIXESSA-N 1 0 279.380 3.007 20 10 CGCDRO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(N2CCCCC2)cc1 ZINC000839131471 626321369 /nfs/dbraw/zinc/32/13/69/626321369.db2.gz LDRINKDLLAMZBK-HDICACEKSA-N 1 0 298.430 3.373 20 10 CGCDRO C[C@@H]([NH2+][C@H](C)c1cc2c(cc1O)CCCC2)c1ccn(C)n1 ZINC000840818801 626321985 /nfs/dbraw/zinc/32/19/85/626321985.db2.gz ZSWVKTAODHHYMS-CHWSQXEVSA-N 1 0 299.418 3.416 20 10 CGCDRO CCOc1cccc(C[NH+]2CC(C3CCCC3)C2)c1O ZINC000839141815 626323129 /nfs/dbraw/zinc/32/31/29/626323129.db2.gz BATGCNCRJIMRMJ-UHFFFAOYSA-N 1 0 275.392 3.413 20 10 CGCDRO C[C@H]([NH2+]Cc1ccccc1O)[C@H]1Oc2ccccc2[C@H]1C ZINC000752264380 626423170 /nfs/dbraw/zinc/42/31/70/626423170.db2.gz CXNLHNMEINTBKP-VBHSOAQHSA-N 1 0 283.371 3.435 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1C[C@H](C)CC(C)(C)C1 ZINC000753576214 626456190 /nfs/dbraw/zinc/45/61/90/626456190.db2.gz PLIBWSWQQLEVNB-GFCCVEGCSA-N 1 0 263.381 3.269 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000753589573 626457266 /nfs/dbraw/zinc/45/72/66/626457266.db2.gz JSUAVRFGGRFHPA-GFCCVEGCSA-N 1 0 263.381 3.269 20 10 CGCDRO C[N@H+](CCc1nccs1)Cc1c(O)ccc2ccncc21 ZINC000753811962 626466589 /nfs/dbraw/zinc/46/65/89/626466589.db2.gz PVTZQWIKNBVPDV-UHFFFAOYSA-N 1 0 299.399 3.071 20 10 CGCDRO C[C@@H]1CSCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000754155924 626561095 /nfs/dbraw/zinc/56/10/95/626561095.db2.gz LTYAZZDEXXOUTK-JTQLQIEISA-N 1 0 271.813 3.231 20 10 CGCDRO C[C@H]1CSCC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000754157158 626561761 /nfs/dbraw/zinc/56/17/61/626561761.db2.gz ZYQXEZBGPFQEPX-GFCCVEGCSA-N 1 0 282.428 3.077 20 10 CGCDRO COCC(C)(C)C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000756075548 626675132 /nfs/dbraw/zinc/67/51/32/626675132.db2.gz GATMKGUZGFDOLA-UHFFFAOYSA-N 1 0 290.451 3.390 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2c(O)cccc2Cl)CCS1 ZINC000756147810 626681268 /nfs/dbraw/zinc/68/12/68/626681268.db2.gz VRVYUSSTWBKMCA-SNVBAGLBSA-N 1 0 271.813 3.373 20 10 CGCDRO C[C@H]([NH2+]CC(C)(C)N(C)C)c1cc2c(cc1O)CCCC2 ZINC000756343402 626694179 /nfs/dbraw/zinc/69/41/79/626694179.db2.gz NHLAPUIRQMETQS-ZDUSSCGKSA-N 1 0 290.451 3.262 20 10 CGCDRO CCC(CC)[C@@H](O)C[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000756569477 626716444 /nfs/dbraw/zinc/71/64/44/626716444.db2.gz OVLOWBYNQCYAEP-BBRMVZONSA-N 1 0 279.424 3.457 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(C(C)C)no2)c1 ZINC000756574581 626716880 /nfs/dbraw/zinc/71/68/80/626716880.db2.gz XRZWWTAMJKWWKB-LLVKDONJSA-N 1 0 290.363 3.363 20 10 CGCDRO CCCCN(C)CC[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756573446 626717111 /nfs/dbraw/zinc/71/71/11/626717111.db2.gz BBTVWRLQXSZUHF-JSGCOSHPSA-N 1 0 294.414 3.401 20 10 CGCDRO COC[C@H]([NH2+][C@@H](C)c1ccc(C)c(C)c1O)C(C)C ZINC000756596787 626719192 /nfs/dbraw/zinc/71/91/92/626719192.db2.gz GWLHSQCVFADUEV-ZFWWWQNUSA-N 1 0 265.397 3.331 20 10 CGCDRO COC[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)C(C)C ZINC000756599349 626719781 /nfs/dbraw/zinc/71/97/81/626719781.db2.gz ZPLUGISTUAQESV-GXFFZTMASA-N 1 0 271.788 3.367 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCC(=O)OC(C)(C)C)c(O)c1C ZINC000756604119 626720057 /nfs/dbraw/zinc/72/00/57/626720057.db2.gz DKDISOIERVCPGG-ZDUSSCGKSA-N 1 0 293.407 3.391 20 10 CGCDRO C[C@@H](C[NH2+][C@@H](C)c1cc(F)ccc1O)c1ccncc1 ZINC000756632250 626722281 /nfs/dbraw/zinc/72/22/81/626722281.db2.gz BDMMVAOIUYNCCN-RYUDHWBXSA-N 1 0 274.339 3.381 20 10 CGCDRO C[C@@H]([NH2+]CCNc1ccccc1)c1cc(F)ccc1O ZINC000756640419 626723660 /nfs/dbraw/zinc/72/36/60/626723660.db2.gz ASVVYZXXQVSGGN-GFCCVEGCSA-N 1 0 274.339 3.294 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]CC2(CCO)CCC2)c2c1c(F)ccc2O ZINC000756765950 626729868 /nfs/dbraw/zinc/72/98/68/626729868.db2.gz TWQRUKNARIRJHH-YPMHNXCESA-N 1 0 293.382 3.222 20 10 CGCDRO Cc1ccc(O)c([C@H](C)Nc2cnn(-c3cc[nH+]cc3)c2)c1 ZINC000756868394 626738506 /nfs/dbraw/zinc/73/85/06/626738506.db2.gz SNCFHVVNWGNNBC-ZDUSSCGKSA-N 1 0 294.358 3.454 20 10 CGCDRO C[C@@H]([NH2+]CCc1cncs1)c1ccc(N(C)C)cc1 ZINC000839562704 626763424 /nfs/dbraw/zinc/76/34/24/626763424.db2.gz BBUOTMYSDGCUAW-GFCCVEGCSA-N 1 0 275.421 3.102 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2cncc(F)c2)c1 ZINC000757641289 626797148 /nfs/dbraw/zinc/79/71/48/626797148.db2.gz ZPBOHMJRRZRQPI-QWRGUYRKSA-N 1 0 290.338 3.347 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCOC2)c(O)c1C ZINC000757659402 626798451 /nfs/dbraw/zinc/79/84/51/626798451.db2.gz ZJZJFJOFUQIPQF-ZIAGYGMSSA-N 1 0 263.381 3.086 20 10 CGCDRO COC1CCC(CC[NH2+]Cc2cc(C)ccc2O)CC1 ZINC000757983984 626819396 /nfs/dbraw/zinc/81/93/96/626819396.db2.gz FJXCAHHHJDIDME-UHFFFAOYSA-N 1 0 277.408 3.386 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2[C@@H](C)[C@@H](OC)C2(C)C)cc1C ZINC000761199202 627024518 /nfs/dbraw/zinc/02/45/18/627024518.db2.gz XXVBECLNLFFNGH-DAXOMENPSA-N 1 0 277.408 3.153 20 10 CGCDRO CCSCC[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000761522358 627047095 /nfs/dbraw/zinc/04/70/95/627047095.db2.gz ORIOYUGLKZUQRT-UHFFFAOYSA-N 1 0 296.505 3.083 20 10 CGCDRO Cc1ccc(C)c(C[N@H+](C)Cc2cc3c(cc2O)OCO3)c1 ZINC000762049619 627083608 /nfs/dbraw/zinc/08/36/08/627083608.db2.gz ATPLKEXZBPVCII-UHFFFAOYSA-N 1 0 299.370 3.370 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H](C2CC2)N(C)C)cc1 ZINC000765148956 627241626 /nfs/dbraw/zinc/24/16/26/627241626.db2.gz ZOCZIEOPOAHCRY-RDTXWAMCSA-N 1 0 289.467 3.134 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H](O)CC(C)C)cc1 ZINC000765474585 627251978 /nfs/dbraw/zinc/25/19/78/627251978.db2.gz PLKLMBOKQQKHLJ-WMLDXEAASA-N 1 0 278.440 3.200 20 10 CGCDRO COC[C@H](CC(C)C)[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000765484299 627252827 /nfs/dbraw/zinc/25/28/27/627252827.db2.gz CLJNCEZBNSCCKA-KRWDZBQOSA-N 1 0 290.451 3.220 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCN(C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000765779951 627270420 /nfs/dbraw/zinc/27/04/20/627270420.db2.gz CYEXIBNPEUJKTH-YJBOKZPZSA-N 1 0 287.451 3.030 20 10 CGCDRO CC[C@H](C[C@H](C)CO)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000766362008 627323553 /nfs/dbraw/zinc/32/35/53/627323553.db2.gz ZPUZLIJVHBXRSS-OFQRWUPVSA-N 1 0 278.440 3.200 20 10 CGCDRO COc1cccc(O)c1C[N@H+](C)Cc1ccsc1 ZINC000768204400 627468596 /nfs/dbraw/zinc/46/85/96/627468596.db2.gz XAOVRALYXRHSNS-UHFFFAOYSA-N 1 0 263.362 3.094 20 10 CGCDRO COc1cccc(O)c1C[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000768262164 627471897 /nfs/dbraw/zinc/47/18/97/627471897.db2.gz HDSLRHRZGPUULF-UHFFFAOYSA-N 1 0 293.313 3.311 20 10 CGCDRO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000768464951 627481380 /nfs/dbraw/zinc/48/13/80/627481380.db2.gz CWPYOVNPOXOQGR-WCQYABFASA-N 1 0 279.380 3.030 20 10 CGCDRO COc1cc(C[N@@H+]2CC[C@@H](C)[C@H](C)C2)c(O)cc1C ZINC000768465010 627481433 /nfs/dbraw/zinc/48/14/33/627481433.db2.gz JAJTUVAKTDWWJI-DGCLKSJQSA-N 1 0 263.381 3.187 20 10 CGCDRO CC(C)C[C@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000768543414 627485862 /nfs/dbraw/zinc/48/58/62/627485862.db2.gz JEZSXKMPLAJKQP-INIZCTEOSA-N 1 0 290.451 3.390 20 10 CGCDRO COC(=O)CC[N@@H+](Cc1c(O)cccc1Cl)CC(C)C ZINC000768853012 627504177 /nfs/dbraw/zinc/50/41/77/627504177.db2.gz ILIOJYGAHAONLC-UHFFFAOYSA-N 1 0 299.798 3.067 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccoc2)cc1F ZINC000769007341 627516416 /nfs/dbraw/zinc/51/64/16/627516416.db2.gz ZQMRBMWUORBSMW-UHFFFAOYSA-N 1 0 262.328 3.117 20 10 CGCDRO CC1(C)CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000769307798 627538849 /nfs/dbraw/zinc/53/88/49/627538849.db2.gz JKGRONMEBIYMNB-UHFFFAOYSA-N 1 0 288.435 3.145 20 10 CGCDRO Cn1ccc(C[N@H+](Cc2ccccc2O)C2CCCC2)n1 ZINC000769382907 627546957 /nfs/dbraw/zinc/54/69/57/627546957.db2.gz CUBYARLOUQOAFS-UHFFFAOYSA-N 1 0 285.391 3.071 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](C)[C@H](C)C2)c1 ZINC000769451552 627554261 /nfs/dbraw/zinc/55/42/61/627554261.db2.gz MXTYEQGCNISLNE-CHWSQXEVSA-N 1 0 263.381 3.269 20 10 CGCDRO COc1cccc(C[N@@H+]2CC[C@@H]2Cc2ccccc2)c1O ZINC000769505955 627561299 /nfs/dbraw/zinc/56/12/99/627561299.db2.gz LMVLNAJPAWMJFJ-MRXNPFEDSA-N 1 0 283.371 3.218 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)[C@@H](CO)C(C)(C)C)cc1 ZINC000769534967 627563601 /nfs/dbraw/zinc/56/36/01/627563601.db2.gz ZYIVTFNRNMLRHR-KRWDZBQOSA-N 1 0 292.467 3.372 20 10 CGCDRO C/C=C/C[C@@H](CO)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000769938254 627591179 /nfs/dbraw/zinc/59/11/79/627591179.db2.gz VXKSGSNMQARGND-DCKQQPRJSA-N 1 0 297.398 3.476 20 10 CGCDRO C[C@@H]1CC[C@H](C)[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000770309971 627612575 /nfs/dbraw/zinc/61/25/75/627612575.db2.gz BJCCCTQJKNJVMZ-TXEJJXNPSA-N 1 0 250.361 3.265 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000772597859 627805723 /nfs/dbraw/zinc/80/57/23/627805723.db2.gz CRPVBKSBVBLELC-GASCZTMLSA-N 1 0 276.424 3.142 20 10 CGCDRO Cc1cccc(NCC[NH2+][C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000773043252 627845811 /nfs/dbraw/zinc/84/58/11/627845811.db2.gz NDBPCUHTJWXDHJ-HNNXBMFYSA-N 1 0 298.434 3.219 20 10 CGCDRO CC[C@@H](CSC)[N@H+](C)Cc1cc(C)cc(OC)c1O ZINC000773259553 627869848 /nfs/dbraw/zinc/86/98/48/627869848.db2.gz WCLAHUOVPJUISO-ZDUSSCGKSA-N 1 0 283.437 3.283 20 10 CGCDRO CCN(C)c1ccc(C[N@H+](CCOC)CC(C)C)cc1 ZINC000773729307 627908521 /nfs/dbraw/zinc/90/85/21/627908521.db2.gz IRTJRSDIAJZOBW-UHFFFAOYSA-N 1 0 278.440 3.247 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@H](C)C[C@@H]2[C@H](C)O)cc1 ZINC000773888884 627924838 /nfs/dbraw/zinc/92/48/38/627924838.db2.gz RVAYNOSHKBVUNE-RLFYNMQTSA-N 1 0 290.451 3.124 20 10 CGCDRO Cc1nc2ccccn2c1C[NH2+][C@@H](C)c1ccccc1O ZINC000775130706 628066135 /nfs/dbraw/zinc/06/61/35/628066135.db2.gz NYCPKLKFQUIFPZ-LBPRGKRZSA-N 1 0 281.359 3.199 20 10 CGCDRO C[C@@H]([NH2+]CCN1CCCc2ccccc21)c1ccccc1O ZINC000775129250 628066228 /nfs/dbraw/zinc/06/62/28/628066228.db2.gz FNPNHMGAVUDXJA-OAHLLOKOSA-N 1 0 296.414 3.496 20 10 CGCDRO CCCN(Cc1ccc2c(c1)CCO2)c1ccc(C[NH3+])cc1 ZINC000775140700 628066936 /nfs/dbraw/zinc/06/69/36/628066936.db2.gz QHZVDSMPNWLPHE-UHFFFAOYSA-N 1 0 296.414 3.497 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CC2(Cl)Cl)c1 ZINC000775370458 628086851 /nfs/dbraw/zinc/08/68/51/628086851.db2.gz NITZKNFISJUOHC-BDAKNGLRSA-N 1 0 290.190 3.245 20 10 CGCDRO CCc1cc(C[NH2+][C@H](CC)c2ccccc2O)on1 ZINC000775509870 628102531 /nfs/dbraw/zinc/10/25/31/628102531.db2.gz RSWONFUNICBQJH-CQSZACIVSA-N 1 0 260.337 3.184 20 10 CGCDRO CC[C@H]([NH2+]C1(COC)CC1)c1cc(Cl)ccc1O ZINC000775540090 628104947 /nfs/dbraw/zinc/10/49/47/628104947.db2.gz IFOHGWIDCYIEOZ-LBPRGKRZSA-N 1 0 269.772 3.265 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)C[C@H](C)O)c1cc(Cl)ccc1O ZINC000775552228 628105595 /nfs/dbraw/zinc/10/55/95/628105595.db2.gz SZNCUTKSGAMUNJ-NRUUGDAUSA-N 1 0 271.788 3.246 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2C[C@@H](C)CCC[C@H]2C)c1 ZINC000775710018 628128591 /nfs/dbraw/zinc/12/85/91/628128591.db2.gz ZVKQBWLNKOXGDN-QWHCGFSZSA-N 1 0 263.381 3.411 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]CCOc1ccccc1F ZINC000775773623 628135984 /nfs/dbraw/zinc/13/59/84/628135984.db2.gz ZEXKMGQVYRWFFL-UHFFFAOYSA-N 1 0 295.741 3.353 20 10 CGCDRO CCCCn1cc(C[NH2+]Cc2cccc(C)c2O)c(C)n1 ZINC000776255870 628185153 /nfs/dbraw/zinc/18/51/53/628185153.db2.gz JUHFUOKKEGEJSH-UHFFFAOYSA-N 1 0 287.407 3.295 20 10 CGCDRO Cc1cccc(C[NH2+][C@H](C)c2cnccc2C)c1O ZINC000776254985 628185504 /nfs/dbraw/zinc/18/55/04/628185504.db2.gz RVLHBCCJRSWFGM-CYBMUJFWSA-N 1 0 256.349 3.255 20 10 CGCDRO CCCN(CCC)c1ccc(C[N@H+](C)C[C@H](C)O)cc1 ZINC000776520612 628216597 /nfs/dbraw/zinc/21/65/97/628216597.db2.gz CLAGOTGMMFKRRX-HNNXBMFYSA-N 1 0 278.440 3.126 20 10 CGCDRO COc1ccc(F)cc1C[NH2+]Cc1c(O)cccc1Cl ZINC000778181440 628332309 /nfs/dbraw/zinc/33/23/09/628332309.db2.gz HRRPXJNYSHHFOU-UHFFFAOYSA-N 1 0 295.741 3.483 20 10 CGCDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2cc(F)ccc2O)C12CCC2 ZINC000779034847 628384939 /nfs/dbraw/zinc/38/49/39/628384939.db2.gz VGJFSVYNZDEQIS-JKSUJKDBSA-N 1 0 293.382 3.311 20 10 CGCDRO CCc1cnccc1[C@H](C)[NH2+]Cc1cc(F)ccc1O ZINC000779107109 628389361 /nfs/dbraw/zinc/38/93/61/628389361.db2.gz PSOCWNAWQUGWCE-NSHDSACASA-N 1 0 274.339 3.340 20 10 CGCDRO CC(C)(C)[C@@H]1CC[N@H+](Cc2c(O)cccc2Cl)C[C@@H]1O ZINC000779432255 628413381 /nfs/dbraw/zinc/41/33/81/628413381.db2.gz QDERGUVXKVBSGT-DOMZBBRYSA-N 1 0 297.826 3.275 20 10 CGCDRO Oc1ccccc1C[NH2+]Cc1c[nH]nc1-c1ccsc1 ZINC000780519591 628495185 /nfs/dbraw/zinc/49/51/85/628495185.db2.gz KLTKVYXQARIOBD-UHFFFAOYSA-N 1 0 285.372 3.134 20 10 CGCDRO CC[C@H]1C[C@@H](C[N@H+](C)Cc2ccc(N(C)C)cc2)CCO1 ZINC000780755465 628514777 /nfs/dbraw/zinc/51/47/77/628514777.db2.gz VJNIEXAUAFHHHX-WMZOPIPTSA-N 1 0 290.451 3.390 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@@H](OC(F)F)C2)c1 ZINC000781149968 628541180 /nfs/dbraw/zinc/54/11/80/628541180.db2.gz ANAVLDHXUXSOEM-CYBMUJFWSA-N 1 0 285.334 3.213 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H](C)c2cncc(F)c2)c1O ZINC000781928053 628606266 /nfs/dbraw/zinc/60/62/66/628606266.db2.gz SEESLTXUFINBBW-NSHDSACASA-N 1 0 260.312 3.086 20 10 CGCDRO Cc1cc(C[NH2+][C@@H](C)c2nccnc2C)ccc1N(C)C ZINC000783252286 628694976 /nfs/dbraw/zinc/69/49/76/628694976.db2.gz OIRNQXDYQCTSBC-AWEZNQCLSA-N 1 0 284.407 3.010 20 10 CGCDRO C[C@@H](C[NH2+][C@@H](C)c1ccccc1O)N1CCCC[C@H]1C ZINC000783501516 628718954 /nfs/dbraw/zinc/71/89/54/628718954.db2.gz JDVZPCZIPGAEPU-ILXRZTDVSA-N 1 0 276.424 3.306 20 10 CGCDRO C[C@H](C[NH2+][C@@H](C)c1ccccc1O)c1ccncc1 ZINC000783521398 628720566 /nfs/dbraw/zinc/72/05/66/628720566.db2.gz WYEYSAXZRFHIEU-OLZOCXBDSA-N 1 0 256.349 3.242 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H](C)c1ccncc1)c1ccccc1O ZINC000783521397 628720963 /nfs/dbraw/zinc/72/09/63/628720963.db2.gz WYEYSAXZRFHIEU-CHWSQXEVSA-N 1 0 256.349 3.242 20 10 CGCDRO COc1ccncc1C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000805750454 628742131 /nfs/dbraw/zinc/74/21/31/628742131.db2.gz LRLUYAYHWGLQNC-ZDUSSCGKSA-N 1 0 285.391 3.007 20 10 CGCDRO CCOc1cccc(C[NH2+]C2(C)Cc3ccccc3C2)c1O ZINC000125395928 634693015 /nfs/dbraw/zinc/69/30/15/634693015.db2.gz GJHAVTODVVBWFF-UHFFFAOYSA-N 1 0 297.398 3.438 20 10 CGCDRO COc1cccc(O)c1C[NH2+]CCc1ccc(F)c(F)c1 ZINC000786820460 628965386 /nfs/dbraw/zinc/96/53/86/628965386.db2.gz YFZVBXIOWJSOCD-UHFFFAOYSA-N 1 0 293.313 3.011 20 10 CGCDRO CCCCN(C)CC[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000788594558 629067455 /nfs/dbraw/zinc/06/74/55/629067455.db2.gz WERKKIPCVDYINR-OAHLLOKOSA-N 1 0 278.440 3.392 20 10 CGCDRO C[C@]1(CO)CCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000789558526 629145297 /nfs/dbraw/zinc/14/52/97/629145297.db2.gz XOYRRUMBPPOQOV-GOSISDBHSA-N 1 0 288.435 3.024 20 10 CGCDRO CC1(C)CC[N@H+](Cc2cc(F)ccc2O)CCS1 ZINC000789763147 629166555 /nfs/dbraw/zinc/16/65/55/629166555.db2.gz FNGFCJRIMUYCNB-UHFFFAOYSA-N 1 0 269.385 3.249 20 10 CGCDRO CC1=CC[N@H+](Cc2c(O)cccc2Br)CC1 ZINC000862246925 629330045 /nfs/dbraw/zinc/33/00/45/629330045.db2.gz PEMKIHPDBURZJL-UHFFFAOYSA-N 1 0 282.181 3.307 20 10 CGCDRO C[C@H]1CSCC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000792720930 629376780 /nfs/dbraw/zinc/37/67/80/629376780.db2.gz VAECUSKGLSSQEN-CYBMUJFWSA-N 1 0 291.460 3.456 20 10 CGCDRO Cc1ccc(CCC[NH2+]Cc2ccc(N(C)C)cc2)cn1 ZINC000792893884 629391465 /nfs/dbraw/zinc/39/14/65/629391465.db2.gz NQFXSMXFWVMGCD-UHFFFAOYSA-N 1 0 283.419 3.178 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CC2(F)CC2)cc1 ZINC000792921120 629393803 /nfs/dbraw/zinc/39/38/03/629393803.db2.gz IDRHRUMDWIQJLS-UHFFFAOYSA-N 1 0 250.361 3.125 20 10 CGCDRO CN(C)c1ccc(C[NH+]2CC(Cc3cccs3)C2)cc1 ZINC000862539332 629394375 /nfs/dbraw/zinc/39/43/75/629394375.db2.gz YSXGMMYSQBVWDX-UHFFFAOYSA-N 1 0 286.444 3.489 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CCCC3(CC3)CC2)cc1OC ZINC000862539250 629394791 /nfs/dbraw/zinc/39/47/91/629394791.db2.gz KUUVEDDYWBGSAZ-UHFFFAOYSA-N 1 0 291.391 3.176 20 10 CGCDRO Cc1ccncc1C[NH2+]CCCSc1nccs1 ZINC000792992543 629399968 /nfs/dbraw/zinc/39/99/68/629399968.db2.gz PJBNUKADCYJMNR-UHFFFAOYSA-N 1 0 279.434 3.119 20 10 CGCDRO CO[C@@]1(C)CCC[N@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000793216555 629429385 /nfs/dbraw/zinc/42/93/85/629429385.db2.gz IMBXOGDKAAVOKB-HNNXBMFYSA-N 1 0 283.799 3.355 20 10 CGCDRO COc1cc(Cl)cc(C[N@H+]2[C@H](C)C[C@@H]2C)c1O ZINC000793220847 629430414 /nfs/dbraw/zinc/43/04/14/629430414.db2.gz RXLIPOTWBULHCX-DTORHVGOSA-N 1 0 255.745 3.037 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000793230684 629433443 /nfs/dbraw/zinc/43/34/43/629433443.db2.gz IAVXKYYEJZDNMP-GXSJLCMTSA-N 1 0 289.297 3.174 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2CCC[C@H]2C(C)C)c(O)c1 ZINC000793389460 629453148 /nfs/dbraw/zinc/45/31/48/629453148.db2.gz YWGHJQNRIAAISI-GJZGRUSLSA-N 1 0 263.381 3.315 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2CS[C@@H](C(C)C)C2)c(O)c1 ZINC000793390348 629454029 /nfs/dbraw/zinc/45/40/29/629454029.db2.gz PFGMSFDVOHBGIM-IUODEOHRSA-N 1 0 281.421 3.021 20 10 CGCDRO COc1cc(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c(O)cc1C ZINC000793543180 629480151 /nfs/dbraw/zinc/48/01/51/629480151.db2.gz GAWZEAPXOMVVFI-LSDHHAIUSA-N 1 0 297.345 3.186 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](COC)C(C)C)c1ccc(C)cc1O ZINC000794805618 629579446 /nfs/dbraw/zinc/57/94/46/629579446.db2.gz XXBXKVWWVTVWCK-CABCVRRESA-N 1 0 265.397 3.412 20 10 CGCDRO CC[C@H]([NH2+]CC(C)(C)OC)c1ccc(C)cc1O ZINC000794810118 629580500 /nfs/dbraw/zinc/58/05/00/629580500.db2.gz JGTSMXVQOCGJHJ-ZDUSSCGKSA-N 1 0 251.370 3.166 20 10 CGCDRO c1cc(N2CCCCC2)ccc1CN[C@H]1CC[NH2+]C12CCC2 ZINC000863483257 629587557 /nfs/dbraw/zinc/58/75/57/629587557.db2.gz TUPRMWKTMGHMMG-SFHVURJKSA-N 1 0 299.462 3.051 20 10 CGCDRO C[C@@H](N[C@@H]1CC[C@@H](C)[NH2+]C1)c1cc2c(cc1O)CCCC2 ZINC000863546685 629603791 /nfs/dbraw/zinc/60/37/91/629603791.db2.gz MVRVIHNMCHEBDS-XJKCOSOUSA-N 1 0 288.435 3.062 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)c1O ZINC000864055464 629750462 /nfs/dbraw/zinc/75/04/62/629750462.db2.gz QAUWIAFOJCRBAY-SJORKVTESA-N 1 0 289.419 3.249 20 10 CGCDRO CC(C)CC[C@H](O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000796457521 629784115 /nfs/dbraw/zinc/78/41/15/629784115.db2.gz XAKPGUMGLGQPSI-PBHICJAKSA-N 1 0 278.440 3.200 20 10 CGCDRO Cc1nccc(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)n1 ZINC000796459976 629784307 /nfs/dbraw/zinc/78/43/07/629784307.db2.gz ZDCUZRXPYXQRSI-UHFFFAOYSA-N 1 0 296.418 3.016 20 10 CGCDRO Cc1ccc([C@@H](O)[C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2)cc1 ZINC000796479803 629788042 /nfs/dbraw/zinc/78/80/42/629788042.db2.gz HHXBPCNGJJAUHV-BEFAXECRSA-N 1 0 298.430 3.273 20 10 CGCDRO COc1cccc(C[NH2+]Cc2ccc3[nH]c(C)cc3c2)c1O ZINC000796528759 629795858 /nfs/dbraw/zinc/79/58/58/629795858.db2.gz WYNHRTPHATUMBA-UHFFFAOYSA-N 1 0 296.370 3.480 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCCC1)c1ccc(F)cc1[O-] ZINC000796693792 629816104 /nfs/dbraw/zinc/81/61/04/629816104.db2.gz JGKZOBNLFUMFCJ-CZUORRHYSA-N 1 0 294.414 3.304 20 10 CGCDRO CC(C)[C@@H]1CC[C@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000796724749 629821182 /nfs/dbraw/zinc/82/11/82/629821182.db2.gz UHEANJPAORYDDM-DZGCQCFKSA-N 1 0 264.388 3.416 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cnn3ccccc23)c(O)c1 ZINC000797057798 629879704 /nfs/dbraw/zinc/87/97/04/629879704.db2.gz PYJRKVUZSGWZGC-CYBMUJFWSA-N 1 0 281.359 3.199 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CC[C@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000797133862 629892923 /nfs/dbraw/zinc/89/29/23/629892923.db2.gz QXKTYIKSDQYGSU-DVOMOZLQSA-N 1 0 292.398 3.111 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](c3ccccn3)C2)c1 ZINC000798965610 630131648 /nfs/dbraw/zinc/13/16/48/630131648.db2.gz VJSGHRNLOMHNPD-CQSZACIVSA-N 1 0 298.386 3.175 20 10 CGCDRO CCCN(CCC)c1ccc(C[N@H+](C)CCCO)cc1 ZINC000799739533 630229200 /nfs/dbraw/zinc/22/92/00/630229200.db2.gz JDWPIIBKPRLSEB-UHFFFAOYSA-N 1 0 278.440 3.127 20 10 CGCDRO CCOc1ccc(C[NH2+][C@H]2CCCC23CC3)c(O)c1 ZINC000865656894 630260870 /nfs/dbraw/zinc/26/08/70/630260870.db2.gz UKLMQLWNSQLOBO-HNNXBMFYSA-N 1 0 261.365 3.213 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCC12CCOCC2 ZINC000800478261 630284510 /nfs/dbraw/zinc/28/45/10/630284510.db2.gz BOYVIERXEMVYDU-KRWDZBQOSA-N 1 0 288.435 3.110 20 10 CGCDRO Cc1cc(F)cc2c1C[N@H+](Cc1ccccc1O)CC2 ZINC000800535695 630291429 /nfs/dbraw/zinc/29/14/29/630291429.db2.gz GDCBGMOXFOZZEH-UHFFFAOYSA-N 1 0 271.335 3.398 20 10 CGCDRO C[C@H]1C[C@@H]([NH2+]CCCOC(F)F)c2c1c(F)ccc2O ZINC000800989962 630318549 /nfs/dbraw/zinc/31/85/49/630318549.db2.gz LMCRALWQFMGBKN-WCBMZHEXSA-N 1 0 289.297 3.299 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000802656420 630403064 /nfs/dbraw/zinc/40/30/64/630403064.db2.gz LDXMNFGGWAKROD-QGZVFWFLSA-N 1 0 271.335 3.463 20 10 CGCDRO CCOc1ccc(C[NH2+]CC[C@H]2CCCS2)c(O)c1 ZINC000865724880 630476112 /nfs/dbraw/zinc/47/61/12/630476112.db2.gz LUFXOJNMSMCPKZ-CQSZACIVSA-N 1 0 281.421 3.166 20 10 CGCDRO Oc1ccccc1C[NH2+]CC1([C@@H]2CCCCO2)CCC1 ZINC000865726423 630505556 /nfs/dbraw/zinc/50/55/56/630505556.db2.gz NVGZUWZVYTYZSY-INIZCTEOSA-N 1 0 275.392 3.221 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CC2=CCCOC2)cc1 ZINC000806177578 630553804 /nfs/dbraw/zinc/55/38/04/630553804.db2.gz DGQVTIJFXLMDIB-CQSZACIVSA-N 1 0 274.408 3.140 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@](C)(O)C(C)C)c1O ZINC000808694269 630665119 /nfs/dbraw/zinc/66/51/19/630665119.db2.gz BLOFJIJLTYTSNO-XHDPSFHLSA-N 1 0 285.815 3.412 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)Cn2cccn2)c1O ZINC000808704376 630667056 /nfs/dbraw/zinc/66/70/56/630667056.db2.gz CCHVDILYXNVUFS-NEPJUHHUSA-N 1 0 293.798 3.290 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](C)CCCO)c1O ZINC000808701775 630667149 /nfs/dbraw/zinc/66/71/49/630667149.db2.gz ICRZKCNQTOGSFD-GHMZBOCLSA-N 1 0 271.788 3.166 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CC[C@H](O)CC2)c1O ZINC000808709818 630668252 /nfs/dbraw/zinc/66/82/52/630668252.db2.gz ZQXLMILUFSJEQG-RAIGVLPGSA-N 1 0 283.799 3.308 20 10 CGCDRO COc1cccc(C[NH2+]Cc2cc(Cl)cs2)c1O ZINC000809740289 630796182 /nfs/dbraw/zinc/79/61/82/630796182.db2.gz SJVZVIOALWBMSO-UHFFFAOYSA-N 1 0 283.780 3.406 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)C2)cc1C ZINC000842765033 635465662 /nfs/dbraw/zinc/46/56/62/635465662.db2.gz TVIIGELMZAZBRA-GASCZTMLSA-N 1 0 277.408 3.439 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CC(C)(C)C[C@H]2C)c1O ZINC000840184447 630802171 /nfs/dbraw/zinc/80/21/71/630802171.db2.gz RYPSYCAYQPTZCX-GFCCVEGCSA-N 1 0 263.381 3.330 20 10 CGCDRO CCC(CC)[N@H+](CC)Cc1cc(OC)c(OC)cc1O ZINC000809787445 630808244 /nfs/dbraw/zinc/80/82/44/630808244.db2.gz CSTMMRYLVFLYPX-UHFFFAOYSA-N 1 0 281.396 3.420 20 10 CGCDRO CCC[N@H+](CC)C[C@@H](C)NCc1ccc(N(C)C)c(F)c1 ZINC000810179767 630850822 /nfs/dbraw/zinc/85/08/22/630850822.db2.gz FOXYFMLHVQVGKA-CQSZACIVSA-N 1 0 295.446 3.102 20 10 CGCDRO COc1ccc([C@H](C)[NH2+]Cc2ccc3c(c2)CCO3)cc1O ZINC000810215152 630854790 /nfs/dbraw/zinc/85/47/90/630854790.db2.gz RXWGFXDRRIOUAQ-LBPRGKRZSA-N 1 0 299.370 3.187 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCOC1)c1ccc(C(F)(F)F)cc1O ZINC000810227977 630856939 /nfs/dbraw/zinc/85/69/39/630856939.db2.gz OILGDBNMMWRMFF-PWSUYJOCSA-N 1 0 289.297 3.241 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000811512498 631080153 /nfs/dbraw/zinc/08/01/53/631080153.db2.gz MOFDMWNOYZHRPC-LJQANCHMSA-N 1 0 295.382 3.362 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CC(C)(C)[C@@H]2C2CC2)c1O ZINC000811513601 631081231 /nfs/dbraw/zinc/08/12/31/631081231.db2.gz LCLQFGDQIWOVJX-INIZCTEOSA-N 1 0 275.392 3.411 20 10 CGCDRO COc1ccc(C[NH2+]Cc2ccc3cnn(C)c3c2)cc1C ZINC000812771664 631304649 /nfs/dbraw/zinc/30/46/49/631304649.db2.gz DSYSFQNMUTTWMU-UHFFFAOYSA-N 1 0 295.386 3.180 20 10 CGCDRO C=Cc1ccc(CC[NH2+]Cc2cc(OC)ccc2O)cc1 ZINC000812773310 631305786 /nfs/dbraw/zinc/30/57/86/631305786.db2.gz TUPFMBUHUKBJQN-UHFFFAOYSA-N 1 0 283.371 3.376 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](CC)[C@@H]2CCOC2)cc1F ZINC000812780723 631307190 /nfs/dbraw/zinc/30/71/90/631307190.db2.gz PNMCQMJLJFOARC-OAHLLOKOSA-N 1 0 294.414 3.283 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](CC)C[C@@H](C)OC)cc1 ZINC000812808186 631317308 /nfs/dbraw/zinc/31/73/08/631317308.db2.gz ATMUECLRMSYORI-OAHLLOKOSA-N 1 0 278.440 3.390 20 10 CGCDRO COc1cccc(C[NH+](C2CCC2)C2CCC2)c1O ZINC000814177957 631538878 /nfs/dbraw/zinc/53/88/78/631538878.db2.gz WTLKVOICLUBKTC-UHFFFAOYSA-N 1 0 261.365 3.308 20 10 CGCDRO CSC[C@H]1CCC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000814179636 631540198 /nfs/dbraw/zinc/54/01/98/631540198.db2.gz WXNGEVVXANWNSU-ZDUSSCGKSA-N 1 0 265.422 3.276 20 10 CGCDRO CC[C@H]1CC[C@H]([NH2+]Cc2cccc(OC)c2O)CC1 ZINC000814299688 631569540 /nfs/dbraw/zinc/56/95/40/631569540.db2.gz BRNOGYZTABLEBF-MQMHXKEQSA-N 1 0 263.381 3.459 20 10 CGCDRO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000815017118 631703582 /nfs/dbraw/zinc/70/35/82/631703582.db2.gz GJZCJFVYBDHYGL-GOEBONIOSA-N 1 0 276.424 3.060 20 10 CGCDRO Cc1cc(C[N@@H+]2CCOCC3(CCC3)C2)ccc1N(C)C ZINC000815092481 631714747 /nfs/dbraw/zinc/71/47/47/631714747.db2.gz IINKAQULZGLFPP-UHFFFAOYSA-N 1 0 288.435 3.064 20 10 CGCDRO CCN(C)c1ccc(C[NH2+]C(CC)(CC)CCO)cc1 ZINC000815112598 631719104 /nfs/dbraw/zinc/71/91/04/631719104.db2.gz VLEYVQDWJFXJBE-UHFFFAOYSA-N 1 0 278.440 3.174 20 10 CGCDRO CCN(C)c1ccc(C[N@H+](C(C)C)[C@@H]2CCOC2)cc1 ZINC000815117744 631721284 /nfs/dbraw/zinc/72/12/84/631721284.db2.gz BUCUSNDJDZCRHQ-QGZVFWFLSA-N 1 0 276.424 3.142 20 10 CGCDRO CCC[C@]1(CO)CC[N@H+](Cc2ccc(N(C)CC)cc2)C1 ZINC000815121234 631721407 /nfs/dbraw/zinc/72/14/07/631721407.db2.gz XZEHPQZJVXAHSZ-SFHVURJKSA-N 1 0 290.451 3.127 20 10 CGCDRO CC(C)(C)C1CC([NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000815146337 631729365 /nfs/dbraw/zinc/72/93/65/631729365.db2.gz FETQDDNTRWBPHK-UHFFFAOYSA-N 1 0 277.364 3.035 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H](O)CC(C)C)c(O)c1 ZINC000815571974 631797105 /nfs/dbraw/zinc/79/71/05/631797105.db2.gz RFNQWUWGVKKZJS-UONOGXRCSA-N 1 0 265.397 3.067 20 10 CGCDRO CO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2c(C)cc(C)cc2O)C1(C)C ZINC000815587171 631801818 /nfs/dbraw/zinc/80/18/18/631801818.db2.gz BPLRIHOBFYSFHP-NWANDNLSSA-N 1 0 277.408 3.473 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCc2nccnc2C)cc1 ZINC000815651590 631813800 /nfs/dbraw/zinc/81/38/00/631813800.db2.gz XEEIRHPDARFNAO-CQSZACIVSA-N 1 0 298.434 3.134 20 10 CGCDRO [O-]c1cc(F)c(Cl)cc1C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000816484838 631990085 /nfs/dbraw/zinc/99/00/85/631990085.db2.gz QCOXLFYMWDUDBS-SNVBAGLBSA-N 1 0 299.773 3.186 20 10 CGCDRO CCCCC[N@H+](CCO)Cc1cc(Cl)c(F)cc1[O-] ZINC000816484204 631990272 /nfs/dbraw/zinc/99/02/72/631990272.db2.gz TWQOVGQYOBCUPQ-UHFFFAOYSA-N 1 0 289.778 3.169 20 10 CGCDRO CO[C@H](C[NH2+]Cc1ccc2ccccc2c1O)C(F)(F)F ZINC000816549516 632008567 /nfs/dbraw/zinc/00/85/67/632008567.db2.gz QGSHPKGQGCXQPF-CYBMUJFWSA-N 1 0 299.292 3.212 20 10 CGCDRO C[C@H]1C[C@H]([NH2+]Cc2ccc3ccccc3c2O)CN1C1CC1 ZINC000816556641 632011346 /nfs/dbraw/zinc/01/13/46/632011346.db2.gz PVTKHVWKRKBFDU-BBRMVZONSA-N 1 0 296.414 3.260 20 10 CGCDRO COC1(C[NH2+]Cc2ccc3ccccc3c2O)CCC1 ZINC000816566205 632014815 /nfs/dbraw/zinc/01/48/15/632014815.db2.gz OEZLFAVFUWULOP-UHFFFAOYSA-N 1 0 271.360 3.204 20 10 CGCDRO CO[C@@H]1C[N@H+](Cc2ccc3ccccc3c2O)CC[C@H]1C ZINC000816586420 632018234 /nfs/dbraw/zinc/01/82/34/632018234.db2.gz HMFZYTGAHDSWCQ-CXAGYDPISA-N 1 0 285.387 3.402 20 10 CGCDRO CO[C@H](C[NH2+]Cc1ccc2ccccc2c1O)C1CC1 ZINC000816651079 632037770 /nfs/dbraw/zinc/03/77/70/632037770.db2.gz RVQZFWABTHIWJK-MRXNPFEDSA-N 1 0 271.360 3.060 20 10 CGCDRO C[C@@H]1CCC[C@]1(O)C[NH2+]Cc1ccc2ccccc2c1O ZINC000816660520 632038631 /nfs/dbraw/zinc/03/86/31/632038631.db2.gz HJIDZAKLYHEUHC-ACJLOTCBSA-N 1 0 285.387 3.186 20 10 CGCDRO Cc1cc(C[NH2+][C@@H](C)c2cc(F)ccc2O)cc(C)n1 ZINC000817588483 632192771 /nfs/dbraw/zinc/19/27/71/632192771.db2.gz GJANVTBIJMPVRP-LBPRGKRZSA-N 1 0 274.339 3.394 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccccc1 ZINC000817939076 632239588 /nfs/dbraw/zinc/23/95/88/632239588.db2.gz YOWMRPXBESSHDX-MOPGFXCFSA-N 1 0 297.446 3.493 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](N)c2ccccc2)c(O)c1 ZINC000817955309 632250111 /nfs/dbraw/zinc/25/01/11/632250111.db2.gz VJZJMMZWWWBPIX-CZUORRHYSA-N 1 0 270.376 3.051 20 10 CGCDRO CC[C@H]([NH2+]CCc1ccc(N)cc1)c1cccc([N+](=O)[O-])c1 ZINC000817955641 632250470 /nfs/dbraw/zinc/25/04/70/632250470.db2.gz DITZKZYNPJNPGO-KRWDZBQOSA-N 1 0 299.374 3.460 20 10 CGCDRO C[C@H](Cc1cccs1)[NH2+]CCc1ccc(N)cc1 ZINC000817955713 632250565 /nfs/dbraw/zinc/25/05/65/632250565.db2.gz FXJLXJWOOCALRS-GFCCVEGCSA-N 1 0 260.406 3.094 20 10 CGCDRO COc1cc(C)ccc1[C@@H](C)[NH2+]CCc1ccc(N)cc1 ZINC000817955918 632251233 /nfs/dbraw/zinc/25/12/33/632251233.db2.gz LHUGVWJFTZLJSC-CQSZACIVSA-N 1 0 284.403 3.479 20 10 CGCDRO Cc1c([C@H](C)[NH2+]CCc2ccc(N)cc2)cccc1[N+](=O)[O-] ZINC000817956401 632251357 /nfs/dbraw/zinc/25/13/57/632251357.db2.gz YGFNAQUSSPXHRF-ZDUSSCGKSA-N 1 0 299.374 3.379 20 10 CGCDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)c1ccccc1N(C)C ZINC000817957389 632251950 /nfs/dbraw/zinc/25/19/50/632251950.db2.gz LVAYXGDHPCNOPQ-CQSZACIVSA-N 1 0 283.419 3.228 20 10 CGCDRO Cc1c([C@H](C)[NH2+]CCc2ccc(N)cc2)cnn1C(C)C ZINC000817957125 632252109 /nfs/dbraw/zinc/25/21/09/632252109.db2.gz JGQGPAPEOVAZJC-ZDUSSCGKSA-N 1 0 286.423 3.248 20 10 CGCDRO CC[C@H]([NH2+][C@@H](CN)C1CCCCC1)c1ccccc1O ZINC000817958138 632252999 /nfs/dbraw/zinc/25/29/99/632252999.db2.gz IGTOJEPLUZOMKZ-HOTGVXAUSA-N 1 0 276.424 3.341 20 10 CGCDRO CC[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1cccc(Cl)c1[O-] ZINC000817968473 632260993 /nfs/dbraw/zinc/26/09/93/632260993.db2.gz JYDRNUJNEWJEDC-SMDDNHRTSA-N 1 0 282.815 3.228 20 10 CGCDRO CC[NH2+][C@H](C)CN[C@@H](C)c1ccc2ccccc2c1O ZINC000817971735 632264673 /nfs/dbraw/zinc/26/46/73/632264673.db2.gz GPWQSZJLADEGGW-OLZOCXBDSA-N 1 0 272.392 3.194 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1cc(F)cc(F)c1[O-] ZINC000817974829 632265749 /nfs/dbraw/zinc/26/57/49/632265749.db2.gz FWAZQWOMHGIEAU-IJLUTSLNSA-N 1 0 298.377 3.086 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cc(C)cc(N)c2)c(O)c1 ZINC000817979340 632270741 /nfs/dbraw/zinc/27/07/41/632270741.db2.gz AHLFHBDSVIFWJD-CYBMUJFWSA-N 1 0 270.376 3.442 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(C)cc(N)c2)c1 ZINC000817982151 632271172 /nfs/dbraw/zinc/27/11/72/632271172.db2.gz YNDGLYDLZILAKG-CYBMUJFWSA-N 1 0 270.376 3.442 20 10 CGCDRO CC[C@H]([NH2+][C@@H](CN)C1CCCC1)c1ccc(N(C)C)cc1 ZINC000817982688 632272627 /nfs/dbraw/zinc/27/26/27/632272627.db2.gz VLYRMILYHXIJIJ-ROUUACIJSA-N 1 0 289.467 3.311 20 10 CGCDRO CC[C@H](N[C@H]1CCCC[NH2+]C1)c1cc(Cl)ccc1O ZINC000817984755 632274303 /nfs/dbraw/zinc/27/43/03/632274303.db2.gz ZDGRHAFOAZTIDF-JSGCOSHPSA-N 1 0 282.815 3.228 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H](C2CCC2)[C@H]2CCOC2)cc1C ZINC000865761913 632883337 /nfs/dbraw/zinc/88/33/37/632883337.db2.gz JYWSDJKPVGZDHV-MAUKXSAKSA-N 1 0 289.419 3.304 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCC23CCOCC3)cc1C ZINC000865778299 632887015 /nfs/dbraw/zinc/88/70/15/632887015.db2.gz SNZDTEHBAIBBLJ-MRXNPFEDSA-N 1 0 289.419 3.305 20 10 CGCDRO CCC[C@@H](CCO)[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000866414548 633127680 /nfs/dbraw/zinc/12/76/80/633127680.db2.gz IAIVSUUHLAPAGE-PWSUYJOCSA-N 1 0 271.788 3.247 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CC[C@H](O)C(F)F)c1O ZINC000866443221 633133454 /nfs/dbraw/zinc/13/34/54/633133454.db2.gz YPUIXAVHYITSAI-KCJUWKMLSA-N 1 0 293.741 3.021 20 10 CGCDRO C[C@@H]([NH2+]CC[C@H](O)C(F)F)c1ccc2ccccc2c1O ZINC000866443147 633133826 /nfs/dbraw/zinc/13/38/26/633133826.db2.gz WRBWTSNWWVIJHE-YGRLFVJLSA-N 1 0 295.329 3.212 20 10 CGCDRO CS[C@H]1C[C@H]([NH2+][C@H](C)c2cc(C)ccc2O)C1 ZINC000866488906 633158104 /nfs/dbraw/zinc/15/81/04/633158104.db2.gz XRSPKFGQVXTPMA-IJLUTSLNSA-N 1 0 251.395 3.245 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccnn2C)c(O)c1C ZINC000866613018 633213708 /nfs/dbraw/zinc/21/37/08/633213708.db2.gz DKHXQWIOVTYZEA-STQMWFEESA-N 1 0 273.380 3.154 20 10 CGCDRO CC[C@H](C[C@@H](C)O)[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000866633591 633222640 /nfs/dbraw/zinc/22/26/40/633222640.db2.gz KIDDMECHOGCGHD-MRVWCRGKSA-N 1 0 265.397 3.209 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCO[C@H](c3ccccc3)C2)c(O)c1 ZINC000876562412 634858699 /nfs/dbraw/zinc/85/86/99/634858699.db2.gz QCIBFGAKQOBRJD-SFHVURJKSA-N 1 0 283.371 3.274 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C[C@@]2(C)CC2(Cl)Cl)c1 ZINC000824765536 633285152 /nfs/dbraw/zinc/28/51/52/633285152.db2.gz NFLSBABBANEOTD-GFCCVEGCSA-N 1 0 290.190 3.074 20 10 CGCDRO COC(C)(C)C[N@H+](C)Cc1cc(Cl)c(C)cc1O ZINC000824928733 633306656 /nfs/dbraw/zinc/30/66/56/633306656.db2.gz YUDKHEUKAXTKJZ-UHFFFAOYSA-N 1 0 271.788 3.211 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000824942088 633309037 /nfs/dbraw/zinc/30/90/37/633309037.db2.gz VYOZGIBFWYDXSF-GUYCJALGSA-N 1 0 273.376 3.021 20 10 CGCDRO CCn1ccnc1[C@@H](C)[NH2+]Cc1cc(Cl)ccc1O ZINC000825005707 633316902 /nfs/dbraw/zinc/31/69/02/633316902.db2.gz QDMGOIPFKQLDAE-SNVBAGLBSA-N 1 0 279.771 3.113 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H]2C[C@H](C)n3ccnc32)cc1C ZINC000825017394 633318695 /nfs/dbraw/zinc/31/86/95/633318695.db2.gz QDKFIGUZGROIOY-JSGCOSHPSA-N 1 0 271.364 3.001 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCCOC(C)C)cc1Cl ZINC000825050885 633322676 /nfs/dbraw/zinc/32/26/76/633322676.db2.gz WKMNLYKUAQBVCY-UHFFFAOYSA-N 1 0 271.788 3.259 20 10 CGCDRO Oc1c(C[NH2+]CCC[C@@H]2CCOC2)ccc2ccccc21 ZINC000825145129 633332441 /nfs/dbraw/zinc/33/24/41/633332441.db2.gz VSPZATIVQKPCIT-CQSZACIVSA-N 1 0 285.387 3.452 20 10 CGCDRO COc1cc(C[NH2+]Cc2cc(Cl)c(C)cc2O)ccn1 ZINC000825241317 633338822 /nfs/dbraw/zinc/33/88/22/633338822.db2.gz QLNRLLZPLUKBPM-UHFFFAOYSA-N 1 0 292.766 3.047 20 10 CGCDRO CC[C@H]([NH2+]CC(C)(C)OC)c1ccc(N(C)C)cc1 ZINC000122242052 633350446 /nfs/dbraw/zinc/35/04/46/633350446.db2.gz SQNHEJMIJZFPMD-HNNXBMFYSA-N 1 0 264.413 3.218 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@]2(C)CCO[C@@H]2C)cc1Cl ZINC000825494399 633357273 /nfs/dbraw/zinc/35/72/73/633357273.db2.gz KZGYYBYKCJZOMT-QMTHXVAHSA-N 1 0 269.772 3.011 20 10 CGCDRO COCC(C)(C)[N@H+](C)Cc1cc(Cl)c(C)cc1O ZINC000825986750 633394684 /nfs/dbraw/zinc/39/46/84/633394684.db2.gz OOGKUWOWJFPDIT-UHFFFAOYSA-N 1 0 271.788 3.211 20 10 CGCDRO COC1([C@@H](C)[NH2+]Cc2cc(Cl)c(C)cc2O)CCC1 ZINC000826123660 633406459 /nfs/dbraw/zinc/40/64/59/633406459.db2.gz RTVWYDQXBBPRAX-LLVKDONJSA-N 1 0 283.799 3.401 20 10 CGCDRO CC[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)c(C)cc2O)CCO1 ZINC000826130523 633407221 /nfs/dbraw/zinc/40/72/21/633407221.db2.gz JDZDNNDCNUAZTC-STQMWFEESA-N 1 0 283.799 3.401 20 10 CGCDRO CC[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)c(C)cc2O)CCO1 ZINC000826130520 633407521 /nfs/dbraw/zinc/40/75/21/633407521.db2.gz JDZDNNDCNUAZTC-CHWSQXEVSA-N 1 0 283.799 3.401 20 10 CGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H]3CC=C(C)CC3)C2)cc1 ZINC000826845079 633436895 /nfs/dbraw/zinc/43/68/95/633436895.db2.gz DXOWURMDSKBVIL-HZPDHXFCSA-N 1 0 286.419 3.362 20 10 CGCDRO C[C@]1(C2CC2)CN(Cc2cc(Cl)c(F)cc2[O-])CCO1 ZINC000826878437 633440161 /nfs/dbraw/zinc/44/01/61/633440161.db2.gz ZALZMZBWFBOCTN-OAHLLOKOSA-N 1 0 299.773 3.186 20 10 CGCDRO CCC(O)(CC)C(C)(C)C[NH2+]Cc1cccc(C)c1O ZINC000826903301 633442102 /nfs/dbraw/zinc/44/21/02/633442102.db2.gz PGZOEDRRHWMIAG-UHFFFAOYSA-N 1 0 279.424 3.368 20 10 CGCDRO CSCC1(CC[NH2+]Cc2cccc(C)c2O)CC1 ZINC000826937592 633444758 /nfs/dbraw/zinc/44/47/58/633444758.db2.gz PFDHRTJTKCOBBH-UHFFFAOYSA-N 1 0 265.422 3.324 20 10 CGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000827506210 633495393 /nfs/dbraw/zinc/49/53/93/633495393.db2.gz DVANOELVJOIKNU-JGPFYOFESA-N 1 0 256.393 3.108 20 10 CGCDRO Oc1c(C[NH2+]CC2SCCS2)ccc2ccccc21 ZINC000827614169 633503796 /nfs/dbraw/zinc/50/37/96/633503796.db2.gz RBUJTDQVWZCEQX-UHFFFAOYSA-N 1 0 291.441 3.441 20 10 CGCDRO CCOCC[N@H+](C)Cc1ccc(N2CCCCC2)c(C)c1 ZINC000828619231 633635650 /nfs/dbraw/zinc/63/56/50/633635650.db2.gz CUYDUDYOMAVICW-UHFFFAOYSA-N 1 0 290.451 3.454 20 10 CGCDRO COc1cccc(C[NH2+]CC[C@]2(C)C[C@@]2(F)Cl)c1O ZINC000846031422 636132747 /nfs/dbraw/zinc/13/27/47/636132747.db2.gz BNJJWINJKUIOMI-KGLIPLIRSA-N 1 0 287.762 3.195 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@](C)(O)c1ccccc1 ZINC000846038196 636134513 /nfs/dbraw/zinc/13/45/13/636134513.db2.gz LVKRWXILAIAYNN-KXBFYZLASA-N 1 0 298.430 3.138 20 10 CGCDRO C[C@@H]1CC2(C[N@@H+]1Cc1ccc(N(C)C)cc1)CCOCC2 ZINC000830602987 633873981 /nfs/dbraw/zinc/87/39/81/633873981.db2.gz CRROANBXHIWXQC-OAHLLOKOSA-N 1 0 288.435 3.144 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C)[C@H]1CCCOC1 ZINC000872034294 633952480 /nfs/dbraw/zinc/95/24/80/633952480.db2.gz JCKMZEAPPCQYOI-FUHWJXTLSA-N 1 0 290.451 3.356 20 10 CGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@@]3(CC3(F)F)C2)cc1 ZINC000846118257 636147618 /nfs/dbraw/zinc/14/76/18/636147618.db2.gz WISIJZRRCRHKKH-MJSXRHKHSA-N 1 0 292.373 3.497 20 10 CGCDRO CCC[C@H](C)[C@@H](CO)[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000846185349 636155534 /nfs/dbraw/zinc/15/55/34/636155534.db2.gz VAYHRQYZBYXYPX-JGGQBBKZSA-N 1 0 279.424 3.457 20 10 CGCDRO Cc1cc(C[NH2+]C(C)(C)CN2CCCC2)ccc1N(C)C ZINC000832761632 634092432 /nfs/dbraw/zinc/09/24/32/634092432.db2.gz NDFIYQNSYLHKCG-UHFFFAOYSA-N 1 0 289.467 3.025 20 10 CGCDRO Cc1ccccc1OCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834540485 634178978 /nfs/dbraw/zinc/17/89/78/634178978.db2.gz ARAVGLSGVSMZNK-OAHLLOKOSA-N 1 0 283.371 3.357 20 10 CGCDRO CSC1CC[NH+](Cc2cc(C)c(C)cc2O)CC1 ZINC000872627714 634179437 /nfs/dbraw/zinc/17/94/37/634179437.db2.gz VRXXKMLSYGCRIL-UHFFFAOYSA-N 1 0 265.422 3.336 20 10 CGCDRO CC1(F)CC[NH+](Cc2c(O)ccc3ccncc32)CC1 ZINC000872691146 634187892 /nfs/dbraw/zinc/18/78/92/634187892.db2.gz ZSEBLMBJOQHPNF-UHFFFAOYSA-N 1 0 274.339 3.264 20 10 CGCDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@H]2CCc3cccc(O)c32)C1(C)C ZINC000834701826 634223759 /nfs/dbraw/zinc/22/37/59/634223759.db2.gz HJGVCZBCXLWGLX-PDUOOLKUSA-N 1 0 275.392 3.029 20 10 CGCDRO CN1CCCC(C)(C)[C@H]1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834787476 634242383 /nfs/dbraw/zinc/24/23/83/634242383.db2.gz MSIJBBCWGYEKSE-GDBMZVCRSA-N 1 0 288.435 3.090 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+][C@@H]1CCc3ccccc3OC1)CC2 ZINC000834793881 634243600 /nfs/dbraw/zinc/24/36/00/634243600.db2.gz IPGYWGSDPDYPKE-CVEARBPZSA-N 1 0 295.382 3.363 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CC2=CCOCC2)c(O)c1 ZINC000834859367 634257951 /nfs/dbraw/zinc/25/79/51/634257951.db2.gz ADQIEWYHQBNBMZ-CYBMUJFWSA-N 1 0 261.365 3.006 20 10 CGCDRO COCC(C)(C)CC[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000873152890 634259348 /nfs/dbraw/zinc/25/93/48/634259348.db2.gz KNYSPQIPZYVCCW-UHFFFAOYSA-N 1 0 282.403 3.044 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000873155891 634264338 /nfs/dbraw/zinc/26/43/38/634264338.db2.gz HYWGYXGAYZLECB-ZIBATOQPSA-N 1 0 281.783 3.093 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)Cc1cnn(C)c1)c1cc(Cl)ccc1O ZINC000834895648 634272083 /nfs/dbraw/zinc/27/20/83/634272083.db2.gz CLNORQDDHRUORB-WDEREUQCSA-N 1 0 293.798 3.061 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCC[C@@H]2O)c(O)c1C ZINC000834895949 634273065 /nfs/dbraw/zinc/27/30/65/634273065.db2.gz FSLQHCVFYHOTQE-FMKPAKJESA-N 1 0 277.408 3.211 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@@H](O)c1ccccc1 ZINC000873194310 634278611 /nfs/dbraw/zinc/27/86/11/634278611.db2.gz SDBRIHDCJOGMTM-HKUYNNGSSA-N 1 0 297.398 3.223 20 10 CGCDRO CO[C@@H]([C@@H](C)[NH2+][C@@H](C)c1ccc(C)c(C)c1O)C1CC1 ZINC000834901974 634278945 /nfs/dbraw/zinc/27/89/45/634278945.db2.gz CKBRILIQINOHEC-AHIWAGSCSA-N 1 0 277.408 3.473 20 10 CGCDRO CC[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)c1cccc(Cl)c1[O-] ZINC000873268747 634312045 /nfs/dbraw/zinc/31/20/45/634312045.db2.gz GSOJBSHAURDCBQ-IAQYHMDHSA-N 1 0 296.842 3.474 20 10 CGCDRO Cc1ccc(CC[NH2+]C/C=C\c2ccc(N(C)C)cc2)o1 ZINC000835035142 634327111 /nfs/dbraw/zinc/32/71/11/634327111.db2.gz GANWOGVQDCFBNJ-PLNGDYQASA-N 1 0 284.403 3.500 20 10 CGCDRO C[C@@H](C[NH2+]C/C=C/c1ccc(N(C)C)cc1)C1CC1 ZINC000835038064 634328721 /nfs/dbraw/zinc/32/87/21/634328721.db2.gz UFNYSTFEFCSSRD-NNTXTVRGSA-N 1 0 258.409 3.402 20 10 CGCDRO C[C@H](C[C@H]1CCOC1)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835041854 634329283 /nfs/dbraw/zinc/32/92/83/634329283.db2.gz FKKPSJZDXWTJBS-GWOVIKRFSA-N 1 0 288.435 3.171 20 10 CGCDRO C[C@@H]1CC([NH2+]C/C=C\c2ccc(N(C)C)cc2)C[C@@H](C)O1 ZINC000835042616 634330573 /nfs/dbraw/zinc/33/05/73/634330573.db2.gz WEUYWBXVJGJYET-JBZXTQMFSA-N 1 0 288.435 3.311 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+]C2(C3CC3)CC2)cc1 ZINC000835043359 634330707 /nfs/dbraw/zinc/33/07/07/634330707.db2.gz PSCMQLPXGLIKNW-ARJAWSKDSA-N 1 0 256.393 3.298 20 10 CGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@@H]2C(C)(C)O)cc1 ZINC000835048211 634334652 /nfs/dbraw/zinc/33/46/52/634334652.db2.gz NUGVKHCNGVWUIQ-QQOXCAACSA-N 1 0 288.435 3.001 20 10 CGCDRO CSCCC[N@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835050415 634336140 /nfs/dbraw/zinc/33/61/40/634336140.db2.gz AXCXNMGJWZMXDJ-ALCCZGGFSA-N 1 0 278.465 3.451 20 10 CGCDRO CS[C@@H]1CC[N@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835053910 634337975 /nfs/dbraw/zinc/33/79/75/634337975.db2.gz FWZMIZYOIKEIDV-DWTRPJMMSA-N 1 0 276.449 3.203 20 10 CGCDRO CO[C@@H]1CC[N@H+](C/C=C\c2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000835053792 634337994 /nfs/dbraw/zinc/33/79/94/634337994.db2.gz YLHBRDDUBJKVHJ-CPHMMYSSSA-N 1 0 288.435 3.265 20 10 CGCDRO Cc1cc(C[NH2+]C/C=C/c2ccc(N(C)C)cc2)ccn1 ZINC000835054767 634339052 /nfs/dbraw/zinc/33/90/52/634339052.db2.gz MLDFJOYSHIFZJK-SNAWJCMRSA-N 1 0 281.403 3.259 20 10 CGCDRO CO[C@@H]([C@H](C)[NH2+]C/C=C/c1ccc(N(C)C)cc1)C1CC1 ZINC000835055245 634339469 /nfs/dbraw/zinc/33/94/69/634339469.db2.gz SCLGMCKSDRXJRG-MSEFBISNSA-N 1 0 288.435 3.169 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCOCC2CCCC2)cc1C ZINC000835057659 634340264 /nfs/dbraw/zinc/34/02/64/634340264.db2.gz XKCHNWXDLCTPQQ-UHFFFAOYSA-N 1 0 277.408 3.305 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]C[C@H]2CCOC(C)(C)C2)c1 ZINC000835058963 634340919 /nfs/dbraw/zinc/34/09/19/634340919.db2.gz CSQPDEMYMITXFQ-ZDUSSCGKSA-N 1 0 293.407 3.086 20 10 CGCDRO Cc1ccc(C[N@@H+](C)[C@@H](CCO)c2ccccc2)c(O)c1 ZINC000876739914 634889563 /nfs/dbraw/zinc/88/95/63/634889563.db2.gz KRUPAHBZILCPPF-KRWDZBQOSA-N 1 0 285.387 3.256 20 10 CGCDRO Cc1ccc(C[N@H+]2CCS[C@H](C)[C@H]2C)c(O)c1 ZINC000876750137 634892849 /nfs/dbraw/zinc/89/28/49/634892849.db2.gz OGQQYQNWQKHIEW-VXGBXAGGSA-N 1 0 251.395 3.026 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]Cc1cccnc1OC(C)C ZINC000876873729 634917745 /nfs/dbraw/zinc/91/77/45/634917745.db2.gz PDMIYAIZTOJFEF-UHFFFAOYSA-N 1 0 286.375 3.173 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H]2CCCc3occc32)c(O)c1 ZINC000876928907 634929701 /nfs/dbraw/zinc/92/97/01/634929701.db2.gz CZGMORSQYDRRDZ-CQSZACIVSA-N 1 0 257.333 3.461 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc(C)cc2O)cn1 ZINC000876931559 634931417 /nfs/dbraw/zinc/93/14/17/634931417.db2.gz PBFBJDDJGIHBIT-UHFFFAOYSA-N 1 0 299.418 3.232 20 10 CGCDRO COc1ccc(C[NH2+]Cc2c(C)cccc2O)c(OC)c1 ZINC000876948119 634934678 /nfs/dbraw/zinc/93/46/78/634934678.db2.gz GHAAUHRFWFFKSD-UHFFFAOYSA-N 1 0 287.359 3.008 20 10 CGCDRO Cc1ccc(C[NH2+]CCCCNc2ccccn2)c(O)c1 ZINC000877006873 634947904 /nfs/dbraw/zinc/94/79/04/634947904.db2.gz UWBOIECMTTZULR-UHFFFAOYSA-N 1 0 285.391 3.078 20 10 CGCDRO COc1cccc2c1OCC[C@@H]2[NH2+]Cc1ccc(C)cc1O ZINC000877032597 634957123 /nfs/dbraw/zinc/95/71/23/634957123.db2.gz MKSIQSUYWZFJFA-HNNXBMFYSA-N 1 0 299.370 3.323 20 10 CGCDRO COCC1(C[NH2+]CCCSc2nccs2)CCC1 ZINC000877061420 634967421 /nfs/dbraw/zinc/96/74/21/634967421.db2.gz HLJXUTRWONHJKR-UHFFFAOYSA-N 1 0 286.466 3.032 20 10 CGCDRO Cc1nc(C)c(C[NH2+]Cc2ccc(C)cc2O)s1 ZINC000877065516 634968657 /nfs/dbraw/zinc/96/86/57/634968657.db2.gz PAXHEDSKDUTTMD-UHFFFAOYSA-N 1 0 262.378 3.064 20 10 CGCDRO CS[C@H]1CC[C@H]([NH2+]Cc2ccc(C)cc2O)C1 ZINC000877070575 634971233 /nfs/dbraw/zinc/97/12/33/634971233.db2.gz QJYUVGXXFUWUDS-STQMWFEESA-N 1 0 251.395 3.074 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]C[C@@H]1CCCO[C@@H]1C(C)C ZINC000877074010 634972757 /nfs/dbraw/zinc/97/27/57/634972757.db2.gz XMJVZIYLZOVDSF-WMLDXEAASA-N 1 0 277.408 3.241 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]Cc1ccn(C2CCCC2)n1 ZINC000877100341 634984853 /nfs/dbraw/zinc/98/48/53/634984853.db2.gz SDRKNVHUZDROIG-UHFFFAOYSA-N 1 0 285.391 3.302 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]CC1([C@H](O)c2ccccc2)CC1 ZINC000877111278 634985935 /nfs/dbraw/zinc/98/59/35/634985935.db2.gz HGNODYWAVLHFON-GOSISDBHSA-N 1 0 297.398 3.304 20 10 CGCDRO Cc1ccc(C[NH2+][C@H](C)C[C@H](O)c2cccs2)c(O)c1 ZINC000877129859 634994629 /nfs/dbraw/zinc/99/46/29/634994629.db2.gz OMXKLDUQVWXSKN-DOMZBBRYSA-N 1 0 291.416 3.364 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(Cl)nn1)c1ccc(N(C)C)cc1 ZINC000877416256 635037842 /nfs/dbraw/zinc/03/78/42/635037842.db2.gz LMWMPJDWDNLHOJ-NSHDSACASA-N 1 0 290.798 3.047 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H](C)CCOC)c1ccc(N(C)C)cc1 ZINC000840837861 635061784 /nfs/dbraw/zinc/06/17/84/635061784.db2.gz XDHLDBPMGSDSPE-WMLDXEAASA-N 1 0 278.440 3.466 20 10 CGCDRO C[C@@H]([NH2+]CC(C)(C)OCC1CC1)c1ccccc1O ZINC000840873306 635070579 /nfs/dbraw/zinc/07/05/79/635070579.db2.gz QRIYLBYKCQTGTI-GFCCVEGCSA-N 1 0 263.381 3.248 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)C2(OC)CCC2)c1 ZINC000840885353 635074287 /nfs/dbraw/zinc/07/42/87/635074287.db2.gz XOEQQVWVEWVPRR-NEPJUHHUSA-N 1 0 279.380 3.009 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)C2(OC)CCC2)c1 ZINC000840885358 635074554 /nfs/dbraw/zinc/07/45/54/635074554.db2.gz XOEQQVWVEWVPRR-RYUDHWBXSA-N 1 0 279.380 3.009 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](CO)C2)c2c1c(F)ccc2O ZINC000840894980 635077972 /nfs/dbraw/zinc/07/79/72/635077972.db2.gz GPYDQUXRCPYGLQ-BYNQJWBRSA-N 1 0 293.382 3.220 20 10 CGCDRO CCO[C@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000840907303 635080369 /nfs/dbraw/zinc/08/03/69/635080369.db2.gz CKLJZUOHUOWGJS-KRWDZBQOSA-N 1 0 276.424 3.062 20 10 CGCDRO Cc1cc(O)c(C[N@@H+](C)[C@@H]2CCSC2)c(Cl)c1 ZINC000840911277 635081672 /nfs/dbraw/zinc/08/16/72/635081672.db2.gz ZWMBAQSILQQMAT-SNVBAGLBSA-N 1 0 271.813 3.291 20 10 CGCDRO Cc1cc(O)c(CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c(Cl)c1 ZINC000840917889 635082395 /nfs/dbraw/zinc/08/23/95/635082395.db2.gz UYYBOCHBBLOOFP-CHWSQXEVSA-N 1 0 296.842 3.269 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H](C)c1ccncc1 ZINC000840935282 635084917 /nfs/dbraw/zinc/08/49/17/635084917.db2.gz KLPAASAPMYGACL-HNNXBMFYSA-N 1 0 283.419 3.349 20 10 CGCDRO Cc1cc(O)c(C[N@@H+](C)[C@H]2CC[C@H](O)CC2)c(Cl)c1 ZINC000840937931 635085664 /nfs/dbraw/zinc/08/56/64/635085664.db2.gz AMHVWTCJYTZQAD-HAQNSBGRSA-N 1 0 283.799 3.089 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)c1ccc[nH]1 ZINC000840936262 635086080 /nfs/dbraw/zinc/08/60/80/635086080.db2.gz HTGXPRVPJSQIDT-ZDUSSCGKSA-N 1 0 257.381 3.240 20 10 CGCDRO Cc1ccc(C[N@@H+]2CC3(CCOCC3)[C@H]2C2CC2)c(O)c1 ZINC000877552871 635086445 /nfs/dbraw/zinc/08/64/45/635086445.db2.gz HOZNOXFJNIHQNP-QGZVFWFLSA-N 1 0 287.403 3.092 20 10 CGCDRO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840938749 635086561 /nfs/dbraw/zinc/08/65/61/635086561.db2.gz GMNLJQNOARVHML-WDEREUQCSA-N 1 0 299.798 3.031 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@]3(C2)CCCOC3)c(Cl)c1 ZINC000840943398 635088167 /nfs/dbraw/zinc/08/81/67/635088167.db2.gz QBDVWTZIEBZTRH-MRXNPFEDSA-N 1 0 295.810 3.357 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H]2C2CC2)c(Cl)c1 ZINC000840950789 635091451 /nfs/dbraw/zinc/09/14/51/635091451.db2.gz NTZQIYQYXMLGAT-CYBMUJFWSA-N 1 0 251.757 3.338 20 10 CGCDRO Cc1cc(O)c(C[NH+]2CC3(CC(F)C3)C2)c(Cl)c1 ZINC000840952529 635092060 /nfs/dbraw/zinc/09/20/60/635092060.db2.gz DAIMJFMGNJRWEO-UHFFFAOYSA-N 1 0 269.747 3.288 20 10 CGCDRO CO[C@@](C)([C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1C)C1CC1 ZINC000840961689 635094097 /nfs/dbraw/zinc/09/40/97/635094097.db2.gz XTTAJMLCIQDAPX-KDOFPFPSSA-N 1 0 290.451 3.354 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CS[C@@H](C)C2)c(Cl)c1 ZINC000840959433 635094376 /nfs/dbraw/zinc/09/43/76/635094376.db2.gz VMSGPVXXRPDPMO-UWVGGRQHSA-N 1 0 271.813 3.338 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1ccco1 ZINC000840976203 635098717 /nfs/dbraw/zinc/09/87/17/635098717.db2.gz NGUOQJAJXVRRSS-AWEZNQCLSA-N 1 0 272.392 3.375 20 10 CGCDRO Cc1cnccc1C[NH2+][C@H](C)Cc1ccc(N(C)C)cc1C ZINC000840975302 635099354 /nfs/dbraw/zinc/09/93/54/635099354.db2.gz FOJZQNWPORWCRJ-MRXNPFEDSA-N 1 0 297.446 3.485 20 10 CGCDRO C[C@@H](CCC(F)(F)F)[NH2+]CCc1ccc(N)cc1 ZINC000841035095 635110244 /nfs/dbraw/zinc/11/02/44/635110244.db2.gz KQCYYQOJUQHJGB-JTQLQIEISA-N 1 0 260.303 3.132 20 10 CGCDRO CC(C)[C@@H]1CCC[C@@H]1[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000841041777 635112246 /nfs/dbraw/zinc/11/22/46/635112246.db2.gz BVYUQRHLDDKXLN-BZSNNMDCSA-N 1 0 289.467 3.167 20 10 CGCDRO CC(C)[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000841041778 635112348 /nfs/dbraw/zinc/11/23/48/635112348.db2.gz BVYUQRHLDDKXLN-KSZLIROESA-N 1 0 289.467 3.167 20 10 CGCDRO C[NH2+]Cc1ccccc1NCc1ccc(N(C)C)cc1 ZINC000841043759 635113633 /nfs/dbraw/zinc/11/36/33/635113633.db2.gz SUNDTMOINPVJPG-UHFFFAOYSA-N 1 0 269.392 3.084 20 10 CGCDRO CCOc1cccc(CNc2cccc(C[NH2+]C)c2)c1O ZINC000841042894 635113702 /nfs/dbraw/zinc/11/37/02/635113702.db2.gz KOFUATJRAPMGKX-UHFFFAOYSA-N 1 0 286.375 3.122 20 10 CGCDRO CN(C)c1ccc([C@H](N)C[NH2+][C@@H]2CCCCC2(C)C)cc1 ZINC000841046083 635114644 /nfs/dbraw/zinc/11/46/44/635114644.db2.gz VTGQHGTUECNTEX-IAGOWNOFSA-N 1 0 289.467 3.311 20 10 CGCDRO C[C@@H]1CCCC[C@H]1C[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000841046307 635114762 /nfs/dbraw/zinc/11/47/62/635114762.db2.gz ZPFRVBVTVQGTFT-UWWQBHOKSA-N 1 0 289.467 3.168 20 10 CGCDRO Cc1cccc(O)c1C[NH2+][C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21 ZINC000877640157 635127130 /nfs/dbraw/zinc/12/71/30/635127130.db2.gz JMORFYKMBMPHTL-FHLIZLRMSA-N 1 0 283.346 3.268 20 10 CGCDRO CSC1CC[NH+](Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000877662945 635138032 /nfs/dbraw/zinc/13/80/32/635138032.db2.gz AGIUAZAESDVLGT-UHFFFAOYSA-N 1 0 282.428 3.219 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2C[C@H]2C(F)(F)F)c1O ZINC000877703542 635155545 /nfs/dbraw/zinc/15/55/45/635155545.db2.gz NNMXVCUVYSOBAZ-RKDXNWHRSA-N 1 0 295.688 3.095 20 10 CGCDRO C[NH+](C)C1(C)CCC([NH2+]Cc2ccc(F)c(F)c2[O-])CC1 ZINC000877711377 635159848 /nfs/dbraw/zinc/15/98/48/635159848.db2.gz GHTLEAYOYXUFKI-UHFFFAOYSA-N 1 0 298.377 3.023 20 10 CGCDRO Cc1cccc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c1O ZINC000877729936 635166023 /nfs/dbraw/zinc/16/60/23/635166023.db2.gz GNJPFDCDFVKZMY-UHFFFAOYSA-N 1 0 286.331 3.207 20 10 CGCDRO C[C@@H]([NH2+][C@H](C)C1CC(F)(F)C1)c1ccccc1O ZINC000877755999 635184494 /nfs/dbraw/zinc/18/44/94/635184494.db2.gz XWTBZGRLVPFKNO-NXEZZACHSA-N 1 0 255.308 3.477 20 10 CGCDRO Cc1ccc(CCC[NH2+][C@H](C)c2ccccc2O)cn1 ZINC000877756007 635186157 /nfs/dbraw/zinc/18/61/57/635186157.db2.gz YGIUHIHNNMYNBM-CQSZACIVSA-N 1 0 270.376 3.379 20 10 CGCDRO Cc1ncc([C@H](C)[NH2+][C@H](C)c2ccccc2O)c(C)n1 ZINC000877757856 635187104 /nfs/dbraw/zinc/18/71/04/635187104.db2.gz XFHVLEAVCITJPO-MNOVXSKESA-N 1 0 271.364 3.211 20 10 CGCDRO C[C@@H](CCc1cccnc1)[NH2+][C@@H](C)c1ccccc1O ZINC000877758142 635187310 /nfs/dbraw/zinc/18/73/10/635187310.db2.gz KLESCTHJTOFKIK-KBPBESRZSA-N 1 0 270.376 3.459 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000877805849 635209334 /nfs/dbraw/zinc/20/93/34/635209334.db2.gz MWPGQXREKRCVJF-FHLIZLRMSA-N 1 0 288.435 3.108 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000877805851 635209637 /nfs/dbraw/zinc/20/96/37/635209637.db2.gz MWPGQXREKRCVJF-JLSDUUJJSA-N 1 0 288.435 3.108 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H](O)c1ccccc1)c1ccc(Cl)cc1O ZINC000841745047 635222437 /nfs/dbraw/zinc/22/24/37/635222437.db2.gz UBJCUVXMFLWCRW-BDJLRTHQSA-N 1 0 291.778 3.430 20 10 CGCDRO C[C@H]([NH2+]CCN1CCCCC1)c1ccc(Cl)cc1O ZINC000841745625 635222502 /nfs/dbraw/zinc/22/25/02/635222502.db2.gz RKYKXXWFYOTVFX-LBPRGKRZSA-N 1 0 282.815 3.182 20 10 CGCDRO C[C@@H]([NH2+]C1CC(F)(F)C1)c1ccc(Cl)cc1O ZINC000841753850 635227245 /nfs/dbraw/zinc/22/72/45/635227245.db2.gz XHZBDSZUUMRLAZ-SSDOTTSWSA-N 1 0 261.699 3.494 20 10 CGCDRO C[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1O)c1ccn(C)n1 ZINC000841753228 635227502 /nfs/dbraw/zinc/22/75/02/635227502.db2.gz FHJQYYDRELSEAI-UWVGGRQHSA-N 1 0 279.771 3.191 20 10 CGCDRO CO[C@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1O)C(C)C ZINC000841754169 635228449 /nfs/dbraw/zinc/22/84/49/635228449.db2.gz IELRJGGLJOSGGH-IINYFYTJSA-N 1 0 271.788 3.367 20 10 CGCDRO C[C@H]([NH2+]C[C@H](O)CC(C)(C)C)c1ccc(Cl)cc1O ZINC000841757330 635231140 /nfs/dbraw/zinc/23/11/40/635231140.db2.gz DOHISQNORKATFG-CMPLNLGQSA-N 1 0 285.815 3.493 20 10 CGCDRO C[C@H]([NH2+]CC1(O)CCCC1)c1ccc(Cl)cc1O ZINC000841763355 635233179 /nfs/dbraw/zinc/23/31/79/635233179.db2.gz MVUAEYJWHNEHNB-JTQLQIEISA-N 1 0 269.772 3.001 20 10 CGCDRO C[C@H]([NH2+]CCOc1cccnc1)c1ccc(Cl)cc1O ZINC000841764555 635234569 /nfs/dbraw/zinc/23/45/69/635234569.db2.gz QGGZTIIKTZNBTB-NSHDSACASA-N 1 0 292.766 3.170 20 10 CGCDRO CC[C@H]([NH2+]Cc1cccc(OC)c1O)[C@H]1CC1(C)C ZINC000841890816 635247327 /nfs/dbraw/zinc/24/73/27/635247327.db2.gz KNXGIEBEJMMGHL-OLZOCXBDSA-N 1 0 263.381 3.315 20 10 CGCDRO CO[C@H](C[NH2+]Cc1c(O)cccc1Cl)CC(C)C ZINC000841888687 635247976 /nfs/dbraw/zinc/24/79/76/635247976.db2.gz NGJSFQSZVJHKNA-NSHDSACASA-N 1 0 271.788 3.196 20 10 CGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@H]1C[C@@H](OC)C1 ZINC000878152803 635381395 /nfs/dbraw/zinc/38/13/95/635381395.db2.gz YSTIKQBNMKDSGC-OTVXOJSOSA-N 1 0 263.381 3.029 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+](C)C[C@](C)(O)c2ccccc2)c1 ZINC000842628535 635420900 /nfs/dbraw/zinc/42/09/00/635420900.db2.gz WXFKKEOKUMVBLB-IBGZPJMESA-N 1 0 299.414 3.349 20 10 CGCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](c3cccnc3)C1)CCC2 ZINC000842623131 635421301 /nfs/dbraw/zinc/42/13/01/635421301.db2.gz UBEKTIFFZCTYKO-QGZVFWFLSA-N 1 0 294.398 3.265 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCCC(C)(C)O2)c1 ZINC000878361044 635473989 /nfs/dbraw/zinc/47/39/89/635473989.db2.gz VYLFIOLLSVMTKM-TZMCWYRMSA-N 1 0 293.407 3.399 20 10 CGCDRO CC[C@H](C)C[C@H](CO)[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000842917420 635512385 /nfs/dbraw/zinc/51/23/85/635512385.db2.gz ORGQGZRRQDWBAT-DMDPSCGWSA-N 1 0 285.815 3.493 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H]2[C@@H]2CCCOC2)c1 ZINC000843416956 635663127 /nfs/dbraw/zinc/66/31/27/635663127.db2.gz MMADHYDVZHUTMD-ZBFHGGJFSA-N 1 0 275.392 3.092 20 10 CGCDRO Cc1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000879649084 635826442 /nfs/dbraw/zinc/82/64/42/635826442.db2.gz LNEDKSSORXCAPZ-ZIAGYGMSSA-N 1 0 298.386 3.378 20 10 CGCDRO COC(=O)c1cc(C[NH2+][C@H](C)c2ccccc2O)cs1 ZINC000879649403 635827226 /nfs/dbraw/zinc/82/72/26/635827226.db2.gz QUZVNWBVJBNVOI-SNVBAGLBSA-N 1 0 291.372 3.091 20 10 CGCDRO CC[C@@H]1C[N@H+](Cc2cc(OC)c(C)cc2O)[C@H](CC)CO1 ZINC000844722938 635957301 /nfs/dbraw/zinc/95/73/01/635957301.db2.gz JQWMSDQVIYINBI-HUUCEWRRSA-N 1 0 293.407 3.099 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CCC[C@@H](OC(C)C)C2)c(O)c1 ZINC000846016628 636129838 /nfs/dbraw/zinc/12/98/38/636129838.db2.gz WFJUHGUZBNYLPW-MRXNPFEDSA-N 1 0 293.407 3.180 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@@](C)(O)c1ccccc1 ZINC000846038592 636135185 /nfs/dbraw/zinc/13/51/85/636135185.db2.gz NGIJJKVSZJXMTR-AUUYWEPGSA-N 1 0 297.398 3.007 20 10 CGCDRO Cc1cccc(C[NH2+]CC[C@]2(C)C[C@@]2(F)Cl)c1O ZINC000846041459 636136740 /nfs/dbraw/zinc/13/67/40/636136740.db2.gz XXSBCPKHCZHYPA-KGLIPLIRSA-N 1 0 271.763 3.495 20 10 CGCDRO CC[N@H+](Cc1cc(Cl)cc(C)c1O)[C@H]1CCCOC1 ZINC000846051119 636138507 /nfs/dbraw/zinc/13/85/07/636138507.db2.gz BIQUGKNQISAFOK-AWEZNQCLSA-N 1 0 283.799 3.355 20 10 CGCDRO CO[C@H]1C[C@H]2C[C@H]([NH2+]Cc3cc(Cl)ccc3O)C[C@H]2C1 ZINC000846054706 636138873 /nfs/dbraw/zinc/13/88/73/636138873.db2.gz DWBABWOQTLFTCX-DAGZJUSDSA-N 1 0 295.810 3.339 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)c(Cl)c1 ZINC000846114331 636146110 /nfs/dbraw/zinc/14/61/10/636146110.db2.gz UIADVQWQIUUQCG-AOOOYVTPSA-N 1 0 273.710 3.051 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@H]2C[C@](C)(OC)C2(C)C)c1O ZINC000846143479 636149118 /nfs/dbraw/zinc/14/91/18/636149118.db2.gz CBZJEBUDHFDAGP-YLVFBTJISA-N 1 0 293.407 3.255 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]CCOC2CCCC2)c1O ZINC000846143305 636149124 /nfs/dbraw/zinc/14/91/24/636149124.db2.gz ZAKLIMUAIQJXPW-GFCCVEGCSA-N 1 0 279.380 3.011 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2Cc3ccccc32)c1O ZINC000846143266 636149157 /nfs/dbraw/zinc/14/91/57/636149157.db2.gz DCVZHWVFOGPIFC-JSGCOSHPSA-N 1 0 283.371 3.391 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]CCC(F)(F)F)c1O ZINC000846148538 636149752 /nfs/dbraw/zinc/14/97/52/636149752.db2.gz GCBDYCBPOSCDEI-QMMMGPOBSA-N 1 0 263.259 3.004 20 10 CGCDRO CCCC(O)(CCC)C[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846145555 636149930 /nfs/dbraw/zinc/14/99/30/636149930.db2.gz OOBKMEROXDIRDG-CYBMUJFWSA-N 1 0 295.423 3.383 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H](OC)C(C)(C)C)c1O ZINC000846149121 636149975 /nfs/dbraw/zinc/14/99/75/636149975.db2.gz VXHRKOFKAPYFEF-SMDDNHRTSA-N 1 0 281.396 3.113 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)c2ccc[nH]2)c1O ZINC000846158179 636150324 /nfs/dbraw/zinc/15/03/24/636150324.db2.gz UMYMSKWXIHWPQS-MNOVXSKESA-N 1 0 260.337 3.141 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H](C)c2ccncc2)c1O ZINC000846151137 636150414 /nfs/dbraw/zinc/15/04/14/636150414.db2.gz UOOXNOPFOKCNBE-OLZOCXBDSA-N 1 0 286.375 3.250 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]CC(C)(C)[C@@H](O)C(C)C)c1O ZINC000846158191 636150479 /nfs/dbraw/zinc/15/04/79/636150479.db2.gz UOYCUZCJIXEGSW-LRDDRELGSA-N 1 0 295.423 3.095 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)CC(C)C)c1O ZINC000846158106 636150538 /nfs/dbraw/zinc/15/05/38/636150538.db2.gz SNDBQNSRFUEJLN-RYUDHWBXSA-N 1 0 251.370 3.486 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCO[C@H](C3CC3)C2)c1O ZINC000846165689 636151030 /nfs/dbraw/zinc/15/10/30/636151030.db2.gz XQGSEHQSBOFHRZ-GHJWDPDVSA-N 1 0 291.391 3.009 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H]2C[C@H]2C(C)C)c1O ZINC000846167776 636152195 /nfs/dbraw/zinc/15/21/95/636152195.db2.gz DMLQTPDOYJHANZ-DYEKYZERSA-N 1 0 263.381 3.344 20 10 CGCDRO CCOC1(C[NH2+][C@@H](C)c2cccc(OC)c2O)CCCC1 ZINC000846170264 636152786 /nfs/dbraw/zinc/15/27/86/636152786.db2.gz NCHXVQUFEBBWMB-ZDUSSCGKSA-N 1 0 293.407 3.401 20 10 CGCDRO CCC(C)(C)OCC[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846169528 636152947 /nfs/dbraw/zinc/15/29/47/636152947.db2.gz RODZSTQLVVWWJO-GFCCVEGCSA-N 1 0 281.396 3.257 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H](C)Cc2ccccn2)c(Cl)c1 ZINC000848566789 636609299 /nfs/dbraw/zinc/60/92/99/636609299.db2.gz IXDHQZGACHCYPQ-GFCCVEGCSA-N 1 0 290.794 3.470 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)c1cccc(OC)c1O)[C@@H]1CCCCO1 ZINC000848567983 636610479 /nfs/dbraw/zinc/61/04/79/636610479.db2.gz VHLHUZWQBZCOPM-SNPRPXQTSA-N 1 0 293.407 3.399 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]C[C@H]1CCC3(CCCC3)O1)CC2 ZINC000848570111 636611855 /nfs/dbraw/zinc/61/18/55/636611855.db2.gz HIVUFRQFLUAGHK-HUUCEWRRSA-N 1 0 287.403 3.461 20 10 CGCDRO CCC1(CC)[C@H]([NH2+]Cc2ccc(OC)cc2O)C[C@@H]1OC ZINC000131390380 636648337 /nfs/dbraw/zinc/64/83/37/636648337.db2.gz FEMXERANWDPIBQ-CVEARBPZSA-N 1 0 293.407 3.084 20 10 CGCDRO CCc1cccc(C[NH2+]Cc2cn3c(cccc3C)n2)c1O ZINC000848894976 636678954 /nfs/dbraw/zinc/67/89/54/636678954.db2.gz JACZCBQWBJBBOE-UHFFFAOYSA-N 1 0 295.386 3.201 20 10 CGCDRO CCc1cccc(C[NH2+][C@H](COC)c2ccc(C)o2)c1O ZINC000848898447 636680826 /nfs/dbraw/zinc/68/08/26/636680826.db2.gz VETZLAQYIVYCKL-OAHLLOKOSA-N 1 0 289.375 3.333 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H](CO)c2ccccc2C)c1O ZINC000848898688 636680878 /nfs/dbraw/zinc/68/08/78/636680878.db2.gz XFYQFDFLQDXWJH-KRWDZBQOSA-N 1 0 285.387 3.086 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@@H]2CCCO[C@H]2C(C)C)c1O ZINC000848898520 636680885 /nfs/dbraw/zinc/68/08/85/636680885.db2.gz VWAFAZGFTGRTDL-WMZOPIPTSA-N 1 0 291.435 3.495 20 10 CGCDRO CCc1cccc(C[N@@H+]2CC[C@@H](C)[C@H](F)C2)c1O ZINC000848900105 636681296 /nfs/dbraw/zinc/68/12/96/636681296.db2.gz AYMCVLIUMPDRNO-BXUZGUMPSA-N 1 0 251.345 3.135 20 10 CGCDRO CCc1cccc(C[NH+]2CCC([C@@H]3CCOC3)CC2)c1O ZINC000848901867 636682408 /nfs/dbraw/zinc/68/24/08/636682408.db2.gz FGPLAWZKYRHEBJ-QGZVFWFLSA-N 1 0 289.419 3.203 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@@H](Cc2ccccc2)OC)c1O ZINC000848915303 636689106 /nfs/dbraw/zinc/68/91/06/636689106.db2.gz FSEDICYEOJYVDA-GOSISDBHSA-N 1 0 299.414 3.302 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H](C)[C@](C)(OC)C2CC2)c1O ZINC000848917809 636689853 /nfs/dbraw/zinc/68/98/53/636689853.db2.gz XPQKNNBVXFAHLZ-SJCJKPOMSA-N 1 0 277.408 3.248 20 10 CGCDRO CC[C@H]([NH2+]Cc1cc(C)c(C)cc1O)[C@@H]1CCCOC1 ZINC000883353183 636694655 /nfs/dbraw/zinc/69/46/55/636694655.db2.gz PSCPBGLLWXNRCE-ZBFHGGJFSA-N 1 0 277.408 3.304 20 10 CGCDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000848925100 636697974 /nfs/dbraw/zinc/69/79/74/636697974.db2.gz NLQRTBCSKJCUPK-OAHLLOKOSA-N 1 0 279.355 3.065 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+][C@H](C)Cc2ccccn2)c1O ZINC000848926322 636698753 /nfs/dbraw/zinc/69/87/53/636698753.db2.gz OYASLKXZTYRVJC-GFCCVEGCSA-N 1 0 290.794 3.470 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C2CCC3(COC3)CC2)c1 ZINC000883381602 636723817 /nfs/dbraw/zinc/72/38/17/636723817.db2.gz QDONJGXTXWAJIJ-ZDUSSCGKSA-N 1 0 275.392 3.310 20 10 CGCDRO CCOc1cccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)c1O ZINC000131826592 636756577 /nfs/dbraw/zinc/75/65/77/636756577.db2.gz HCIIRBCNXIPLLQ-CHWSQXEVSA-N 1 0 263.381 3.269 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H]2CCc3cc(N)ccc32)c1 ZINC000849352531 636817794 /nfs/dbraw/zinc/81/77/94/636817794.db2.gz NQLLJOFQMVONOG-INIZCTEOSA-N 1 0 268.360 3.060 20 10 CGCDRO CC[C@@H]([NH2+]CC1(O)CCCCC1)c1ccc(N(C)C)cc1 ZINC000134074584 636996541 /nfs/dbraw/zinc/99/65/41/636996541.db2.gz XVENIXDUSKUBTJ-QGZVFWFLSA-N 1 0 290.451 3.489 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccoc1 ZINC000134070092 636996669 /nfs/dbraw/zinc/99/66/69/636996669.db2.gz CKXWQWGFOCDYLK-NSHDSACASA-N 1 0 262.328 3.336 20 10 CGCDRO COc1ccc(Cl)cc1C[NH2+]Cc1ccccc1O ZINC000134230033 637007620 /nfs/dbraw/zinc/00/76/20/637007620.db2.gz FCIGNEJOMFNNSR-UHFFFAOYSA-N 1 0 277.751 3.344 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+][C@H]3CCC[C@H]3C)C2)cc1 ZINC000850346511 637022772 /nfs/dbraw/zinc/02/27/72/637022772.db2.gz GPGOMAIHDBMBRC-KEYYUXOJSA-N 1 0 274.408 3.052 20 10 CGCDRO Oc1ccccc1C[NH2+]Cc1c(O)cccc1Cl ZINC000134605123 637030927 /nfs/dbraw/zinc/03/09/27/637030927.db2.gz XSRXODFUZFCLOE-UHFFFAOYSA-N 1 0 263.724 3.041 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H]2C[C@@H](O)c3ccccc32)cc1 ZINC000850370835 637033961 /nfs/dbraw/zinc/03/39/61/637033961.db2.gz TUQRTVKQCSCWGA-QZTJIDSGSA-N 1 0 282.387 3.021 20 10 CGCDRO CCOc1ccc(C[NH2+]CCC(C)(C)F)c(O)c1 ZINC000850373888 637036167 /nfs/dbraw/zinc/03/61/67/637036167.db2.gz DVOSMWFOODHPLM-UHFFFAOYSA-N 1 0 255.333 3.019 20 10 CGCDRO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](C(C)C)C2)c1O ZINC000134981199 637060832 /nfs/dbraw/zinc/06/08/32/637060832.db2.gz NIFMIFGHMITVDA-LBPRGKRZSA-N 1 0 279.355 3.212 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2COC(C)(C)C2)cc1 ZINC000850482844 637086446 /nfs/dbraw/zinc/08/64/46/637086446.db2.gz SGDMORHOFRQIJJ-HIFRSBDPSA-N 1 0 276.424 3.361 20 10 CGCDRO C[C@H]([NH2+][C@@H]1COC(C)(C)C1)c1cc(Cl)ccc1O ZINC000850483409 637086820 /nfs/dbraw/zinc/08/68/20/637086820.db2.gz XEUWLKTWAKGUFH-ONGXEEELSA-N 1 0 269.772 3.264 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1)C1CC1 ZINC000850489567 637088618 /nfs/dbraw/zinc/08/86/18/637088618.db2.gz VGLBVBZRIULTJI-RHSMWYFYSA-N 1 0 274.408 3.052 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+]C3CC(C(C)C)C3)C2)cc1 ZINC000850489145 637089178 /nfs/dbraw/zinc/08/91/78/637089178.db2.gz RFRMCKDDXADXHU-PCKAHOCUSA-N 1 0 288.435 3.298 20 10 CGCDRO CC[C@H](COCC1CC1)[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000850494428 637090051 /nfs/dbraw/zinc/09/00/51/637090051.db2.gz PFHFXJZINRICFV-TZMCWYRMSA-N 1 0 293.407 3.257 20 10 CGCDRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCCN3C)C1 ZINC000135167940 637095861 /nfs/dbraw/zinc/09/58/61/637095861.db2.gz MKFRRCAKUVGIAY-CJNGLKHVSA-N 1 0 258.409 3.347 20 10 CGCDRO C[C@@H]([NH2+]CCO[C@H]1CC1(F)F)c1ccc(Cl)cc1O ZINC000850521228 637100440 /nfs/dbraw/zinc/10/04/40/637100440.db2.gz ROTDINCJCIMTQW-PELKAZGASA-N 1 0 291.725 3.120 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1C[C@@H](O)C12CCC2)c1ccc(N(C)C)cc1 ZINC000850548052 637116287 /nfs/dbraw/zinc/11/62/87/637116287.db2.gz XWNHQCXUOWAHPZ-GVDBMIGSSA-N 1 0 288.435 3.097 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1C(C)(C)C1(F)F)c1ccccc1O ZINC000850553525 637119445 /nfs/dbraw/zinc/11/94/45/637119445.db2.gz YFMXHMMZMQFUJZ-BXKDBHETSA-N 1 0 255.308 3.334 20 10 CGCDRO C[C@H]([NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)c1nccn1C ZINC000850573088 637129974 /nfs/dbraw/zinc/12/99/74/637129974.db2.gz UDPBIOXJEXUZQB-STQMWFEESA-N 1 0 299.418 3.416 20 10 CGCDRO CN1CCCc2cc(C[NH2+][C@@H]3CCc4cccnc43)ccc21 ZINC000886519317 637551902 /nfs/dbraw/zinc/55/19/02/637551902.db2.gz SILKUAJTYVWHJT-QGZVFWFLSA-N 1 0 293.414 3.241 20 10 CGCDRO Cc1cc(C[N@H+]2CCC[C@@H](C)[C@H]2CCO)ccc1N(C)C ZINC000852461405 637654263 /nfs/dbraw/zinc/65/42/63/637654263.db2.gz IQSASNBODIXUGB-RDTXWAMCSA-N 1 0 290.451 3.044 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@H]2CC3(CCC3)CO2)c1O ZINC000886702816 637665241 /nfs/dbraw/zinc/66/52/41/637665241.db2.gz DHSYRSSQXWJZHM-QWHCGFSZSA-N 1 0 291.391 3.011 20 10 CGCDRO CCn1nccc1C[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000853239269 637791611 /nfs/dbraw/zinc/79/16/11/637791611.db2.gz DCRTWIIYZMYFPZ-JTQLQIEISA-N 1 0 279.771 3.113 20 10 CGCDRO C[C@@H]1CC[C@H]([NH2+]Cc2cc(F)ccc2O)C[C@H]1C ZINC000300419602 637838425 /nfs/dbraw/zinc/83/84/25/637838425.db2.gz XUXYONQEEBISLS-GYSYKLTISA-N 1 0 251.345 3.446 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]CCOC1CCCC1 ZINC000111607866 637929421 /nfs/dbraw/zinc/92/94/21/637929421.db2.gz NTABOWZUNLNFAT-UHFFFAOYSA-N 1 0 269.772 3.094 20 10 CGCDRO Oc1ccccc1C[NH2+]CCc1cccc2cccnc21 ZINC000112016994 638025891 /nfs/dbraw/zinc/02/58/91/638025891.db2.gz BWTCAYIEJDENOJ-UHFFFAOYSA-N 1 0 278.355 3.273 20 10 CGCDRO CCCC[N@H+](Cc1ccccc1O)Cc1nccnc1C ZINC000857044886 638440289 /nfs/dbraw/zinc/44/02/89/638440289.db2.gz SRSIWIDGPIVSRT-UHFFFAOYSA-N 1 0 285.391 3.293 20 10 CGCDRO Cc1ccc(CNCc2cc(F)c(N(C)C)cc2F)cn1 ZINC000858099231 638626945 /nfs/dbraw/zinc/62/69/45/638626945.db2.gz VAMWYARLEFJKKM-UHFFFAOYSA-N 1 0 291.345 3.024 20 10 CGCDRO Clc1cnccc1C[NH2+]CCCSc1nccs1 ZINC000858141877 638642167 /nfs/dbraw/zinc/64/21/67/638642167.db2.gz TYZKDCSAQDIDAB-UHFFFAOYSA-N 1 0 299.852 3.464 20 10 CGCDRO COC1CCC([NH2+]Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000858178494 638650806 /nfs/dbraw/zinc/65/08/06/638650806.db2.gz XMDRUBTTXPBVNI-UHFFFAOYSA-N 1 0 298.377 3.078 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2C[C@@H](OC)C2)cc1F ZINC000858331454 638684134 /nfs/dbraw/zinc/68/41/34/638684134.db2.gz XIXKKYUDZMCIKM-GASCZTMLSA-N 1 0 294.414 3.187 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2Cc3ccccc3CO2)c(O)c1 ZINC000858454225 638723598 /nfs/dbraw/zinc/72/35/98/638723598.db2.gz YZSUSRHKMVQRNW-PBHICJAKSA-N 1 0 297.398 3.493 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](CO)CCC(C)C)c(O)c1C ZINC000858484939 638736557 /nfs/dbraw/zinc/73/65/57/638736557.db2.gz GJPSXQOJEVIYHW-LSDHHAIUSA-N 1 0 279.424 3.457 20 10 CGCDRO CC(C)CC[C@@H](CO)[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000858484840 638736713 /nfs/dbraw/zinc/73/67/13/638736713.db2.gz CPJKWDXRXHISHQ-YPMHNXCESA-N 1 0 285.815 3.493 20 10 CGCDRO CC[C@@H]([NH2+][C@H](CO)CCC(C)C)c1ccccc1O ZINC000858486562 638737553 /nfs/dbraw/zinc/73/75/53/638737553.db2.gz VQESQZCJJFVULQ-DZGCQCFKSA-N 1 0 265.397 3.230 20 10 CGCDRO C/C=C\C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000858537982 638757470 /nfs/dbraw/zinc/75/74/70/638757470.db2.gz RHBZSJPPNUDAQH-SCOBNMCVSA-N 1 0 294.826 3.403 20 10 CGCDRO C/C=C\C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000858537975 638757508 /nfs/dbraw/zinc/75/75/08/638757508.db2.gz RHBZSJPPNUDAQH-DHCBQETCSA-N 1 0 294.826 3.403 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CO[C@H](C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000858546454 638758382 /nfs/dbraw/zinc/75/83/82/638758382.db2.gz VFFVXKSQFFRCQO-NJAFHUGGSA-N 1 0 288.435 3.361 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc[nH]c1=O)c1cc2c(cc1O)CCCC2 ZINC000858563853 638762539 /nfs/dbraw/zinc/76/25/39/638762539.db2.gz XZVVRHOWUNCTGF-LBPRGKRZSA-N 1 0 298.386 3.222 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1cc(Cl)ccc1O ZINC000926935839 638827424 /nfs/dbraw/zinc/82/74/24/638827424.db2.gz HOOYAYPAVCFXPU-CZXHOFHRSA-N 1 0 293.794 3.287 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]CCC2CC=CC2)c1O ZINC000926950172 638828618 /nfs/dbraw/zinc/82/86/18/638828618.db2.gz NVVVFFKLBRXWNA-LBPRGKRZSA-N 1 0 261.365 3.408 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)CC2 ZINC000926951334 638828660 /nfs/dbraw/zinc/82/86/60/638828660.db2.gz QHIKRFSZCSVCFB-AXFHLTTASA-N 1 0 271.282 3.168 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]CC[C@H]1CCC3(CCC3)O1)CC2 ZINC000927123809 638845506 /nfs/dbraw/zinc/84/55/06/638845506.db2.gz BOHBUTQQXIOXQD-HUUCEWRRSA-N 1 0 287.403 3.461 20 10 CGCDRO CCc1onc(C)c1C[NH2+][C@H](C)c1ccccc1O ZINC000927140631 638847098 /nfs/dbraw/zinc/84/70/98/638847098.db2.gz ROZLYLVUSFULLZ-SNVBAGLBSA-N 1 0 260.337 3.102 20 10 CGCDRO C[C@H]([NH2+]C1([C@H]2CCCCO2)CC1)c1ccccc1O ZINC000927158562 638848479 /nfs/dbraw/zinc/84/84/79/638848479.db2.gz BPCFSZBMZYQSRK-SWLSCSKDSA-N 1 0 261.365 3.145 20 10 CGCDRO CCC[N@H+](Cc1[nH]c(C)nc1C)Cc1ccccc1O ZINC000929753143 638947168 /nfs/dbraw/zinc/94/71/68/638947168.db2.gz MJWNGWGMTSRXCS-UHFFFAOYSA-N 1 0 273.380 3.144 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H]2C[C@@H](OC)C2)cc1 ZINC000858592881 638998883 /nfs/dbraw/zinc/99/88/83/638998883.db2.gz NENPQOGQRPEESL-CPUCHLNUSA-N 1 0 276.424 3.218 20 10 CGCDRO CC[C@@H]([NH2+]CCN(C)C(C)C)c1ccc(N(C)C)cc1 ZINC000155763656 639948633 /nfs/dbraw/zinc/94/86/33/639948633.db2.gz VMERDQSPCCNLDG-QGZVFWFLSA-N 1 0 277.456 3.134 20 10 CGCDRO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)C[C@@H]1CCOC1 ZINC000047703677 640023897 /nfs/dbraw/zinc/02/38/97/640023897.db2.gz FRVNAYJBLGZRNF-KRWDZBQOSA-N 1 0 288.435 3.145 20 10 CGCDRO CCOC[C@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)C(C)C ZINC000189355932 640188252 /nfs/dbraw/zinc/18/82/52/640188252.db2.gz UCYMJKJOYIHMBD-PBHICJAKSA-N 1 0 278.440 3.464 20 10 CGCDRO CC(C)CC[C@](C)(O)C[NH2+]Cc1cc(Cl)ccc1O ZINC000077456241 640240784 /nfs/dbraw/zinc/24/07/84/640240784.db2.gz XVOYYVXULVFEON-HNNXBMFYSA-N 1 0 285.815 3.322 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)CCC3)CCS1 ZINC000191659415 640325815 /nfs/dbraw/zinc/32/58/15/640325815.db2.gz HTARTDYWTIAYSW-GFCCVEGCSA-N 1 0 277.433 3.208 20 10 CGCDRO COC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000080243996 640457332 /nfs/dbraw/zinc/45/73/32/640457332.db2.gz VYNRMEXFMPLUQD-GOSISDBHSA-N 1 0 298.430 3.100 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@]2(C)CCCO2)cc1 ZINC000246932775 640699906 /nfs/dbraw/zinc/69/99/06/640699906.db2.gz GPJAJGAJUDYSNC-WMLDXEAASA-N 1 0 276.424 3.362 20 10 CGCDRO CCOc1ccc(O)c(C[N@H+](C)Cc2ccccc2O)c1 ZINC000091974613 640728371 /nfs/dbraw/zinc/72/83/71/640728371.db2.gz XYIBOLHKPIYRMJ-UHFFFAOYSA-N 1 0 287.359 3.129 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H](C)N1CCC[C@@H](C)C1)c1cc(F)ccc1O ZINC000248480619 640762516 /nfs/dbraw/zinc/76/25/16/640762516.db2.gz ATJLDWJAVZLIGC-MGPQQGTHSA-N 1 0 294.414 3.302 20 10 CGCDRO COc1cccc(C[N@@H+]2CC[C@@H](OCCC(C)C)C2)c1O ZINC000093476200 640772923 /nfs/dbraw/zinc/77/29/23/640772923.db2.gz QJGXZGQVRMXGOE-OAHLLOKOSA-N 1 0 293.407 3.038 20 10 CGCDRO CC[C@H](O)C[N@H+](Cc1ccccc1)Cc1cc(C)ccc1O ZINC000093688121 640780039 /nfs/dbraw/zinc/78/00/39/640780039.db2.gz DPBRASALQDRHRQ-SFHVURJKSA-N 1 0 299.414 3.474 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCS[C@H](C(C)C)C2)c1 ZINC000093869291 640784152 /nfs/dbraw/zinc/78/41/52/640784152.db2.gz NIGDZPMLCQDJLA-HNNXBMFYSA-N 1 0 265.422 3.274 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CCS[C@@H](C(C)C)C2)c1O ZINC000093869198 640784164 /nfs/dbraw/zinc/78/41/64/640784164.db2.gz KIEGPSJYLBEIFU-OAHLLOKOSA-N 1 0 295.448 3.364 20 10 CGCDRO CC(C)C[C@H](C[NH2+][C@@H](C)c1cc(F)ccc1O)N(C)C ZINC000094616996 640798666 /nfs/dbraw/zinc/79/86/66/640798666.db2.gz MCPRSJNKIGYKFD-GXTWGEPZSA-N 1 0 282.403 3.158 20 10 CGCDRO C[C@H](C[NH2+][C@H](C)c1cc(F)ccc1O)N1CCCCC1 ZINC000094617756 640799826 /nfs/dbraw/zinc/79/98/26/640799826.db2.gz YTNJYCQPXPJRSQ-CHWSQXEVSA-N 1 0 280.387 3.056 20 10 CGCDRO C[C@@H]([NH2+]CCC(F)(F)F)c1cc(F)ccc1O ZINC000094618170 640800011 /nfs/dbraw/zinc/80/00/11/640800011.db2.gz HBHJMSIVJHKWKC-SSDOTTSWSA-N 1 0 251.223 3.134 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](C)C[C@H]2C)c1O ZINC000250503299 640813671 /nfs/dbraw/zinc/81/36/71/640813671.db2.gz BBHFOQMIUFKIKP-CHWSQXEVSA-N 1 0 263.381 3.411 20 10 CGCDRO C[C@](O)(C[NH2+]Cc1cc(Cl)ccc1O)c1ccccc1 ZINC000304106923 640855966 /nfs/dbraw/zinc/85/59/66/640855966.db2.gz KGUPIZJCKOJSBR-INIZCTEOSA-N 1 0 291.778 3.043 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccccc2CO)cc1 ZINC000305110412 640882496 /nfs/dbraw/zinc/88/24/96/640882496.db2.gz FQBCJSDIVXQGPU-OAHLLOKOSA-N 1 0 298.430 3.486 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CC2(N(C)C)CCC2)cc1 ZINC000097928331 640882920 /nfs/dbraw/zinc/88/29/20/640882920.db2.gz QQYUUCCKSSXYPM-UHFFFAOYSA-N 1 0 289.467 3.107 20 10 CGCDRO CCC(CC)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000098173089 640902357 /nfs/dbraw/zinc/90/23/57/640902357.db2.gz ZUBYLSKIXVYNEO-UHFFFAOYSA-N 1 0 276.424 3.049 20 10 CGCDRO CCCCC[C@H](O)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001253557467 806255547 /nfs/dbraw/zinc/25/55/47/806255547.db2.gz LOLNALHDLLIOKR-HNNXBMFYSA-N 1 0 265.397 3.034 20 10 CGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2[NH2+]C[C@H](O)C(C)C ZINC001253788899 806312227 /nfs/dbraw/zinc/31/22/27/806312227.db2.gz WSATUTMPJWJACW-YOEHRIQHSA-N 1 0 291.435 3.239 20 10 CGCDRO C[C@@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccc1O ZINC001254574194 806454308 /nfs/dbraw/zinc/45/43/08/806454308.db2.gz GQJTZTYBOZQGLO-RISCZKNCSA-N 1 0 298.342 3.118 20 10 CGCDRO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000037253863 798863457 /nfs/dbraw/zinc/86/34/57/798863457.db2.gz NUOMJCOSSINCEP-WBVHZDCISA-N 1 0 288.435 3.192 20 10 CGCDRO CC(=O)c1cc(F)cc(C[NH+]2[C@@H](C)CCC[C@@H]2C)c1O ZINC000037322757 798866498 /nfs/dbraw/zinc/86/64/98/798866498.db2.gz VEUUNBXNYXQNQT-QWRGUYRKSA-N 1 0 279.355 3.497 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1Cc2ccccc21)c1ccccc1O ZINC000037565362 798868805 /nfs/dbraw/zinc/86/88/05/798868805.db2.gz MNOFTCVIKAADTJ-JSGCOSHPSA-N 1 0 253.345 3.383 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1Cc2ccccc21)c1ccccc1O ZINC000037565365 798868881 /nfs/dbraw/zinc/86/88/81/798868881.db2.gz MNOFTCVIKAADTJ-TZMCWYRMSA-N 1 0 253.345 3.383 20 10 CGCDRO C[C@@H]([NH2+]CCc1cccnc1)c1ccc(N(C)C)cc1 ZINC000037718109 798873510 /nfs/dbraw/zinc/87/35/10/798873510.db2.gz YPEYEBUBKBVJLM-CQSZACIVSA-N 1 0 269.392 3.041 20 10 CGCDRO CO[C@@H]1CC[N@H+](Cc2c(O)cccc2Cl)[C@H](C)C1 ZINC000305919625 799212955 /nfs/dbraw/zinc/21/29/55/799212955.db2.gz GWLMSQZFKRWJNH-GHMZBOCLSA-N 1 0 269.772 3.045 20 10 CGCDRO CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(N)cc1 ZINC000311661879 799225733 /nfs/dbraw/zinc/22/57/33/799225733.db2.gz XFCPOPKBQQCYKW-GFCCVEGCSA-N 1 0 272.314 3.432 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@]2(CC)CCOC2)cc1 ZINC000378827714 799343683 /nfs/dbraw/zinc/34/36/83/799343683.db2.gz IILDNGOKCWFUCI-KRWDZBQOSA-N 1 0 276.424 3.192 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+][C@H]1CCC(F)(F)C1)CC2 ZINC000381034875 799370331 /nfs/dbraw/zinc/37/03/31/799370331.db2.gz UHDNNIZPSQRMDX-WDEREUQCSA-N 1 0 253.292 3.157 20 10 CGCDRO CC(C)[C@H]1C[N@H+](Cc2c(O)cccc2Cl)CCCO1 ZINC000381146706 799373526 /nfs/dbraw/zinc/37/35/26/799373526.db2.gz RORKTNLUNAFVLK-OAHLLOKOSA-N 1 0 283.799 3.293 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C[C@H](C)CCCO ZINC000384296979 799415370 /nfs/dbraw/zinc/41/53/70/799415370.db2.gz APDDZOCKJNRUMZ-MRVWCRGKSA-N 1 0 277.408 3.247 20 10 CGCDRO C[C@H]([NH2+]C[C@@](C)(O)C1CC1)c1ccc2ccccc2c1O ZINC000386955993 799442195 /nfs/dbraw/zinc/44/21/95/799442195.db2.gz OFYZTMZHZLDEDC-KPZWWZAWSA-N 1 0 285.387 3.357 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H]2CC23CCCC3)c1O ZINC000387145298 799443219 /nfs/dbraw/zinc/44/32/19/799443219.db2.gz OIOVUOXYDPWNAB-CQSZACIVSA-N 1 0 261.365 3.213 20 10 CGCDRO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCOC1)c1ccc(N(C)C)cc1 ZINC000388859464 799456598 /nfs/dbraw/zinc/45/65/98/799456598.db2.gz JWGURTPUYZZSBX-OFQRWUPVSA-N 1 0 276.424 3.218 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@H]2CC3CCC2CC3)c1 ZINC000389029106 799458720 /nfs/dbraw/zinc/45/87/20/799458720.db2.gz ADTQCQAIQLEUGR-QOZQQMKHSA-N 1 0 261.365 3.069 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCCOC2)c(O)c1 ZINC000388996693 799458788 /nfs/dbraw/zinc/45/87/88/799458788.db2.gz QAEVZVQOQXONMS-RDBSUJKOSA-N 1 0 263.381 3.166 20 10 CGCDRO CCc1nc(C[NH2+][C@@H]2CCc3cccc(O)c32)cs1 ZINC000393229784 799484893 /nfs/dbraw/zinc/48/48/93/799484893.db2.gz GIIDESNUSDWJTF-GFCCVEGCSA-N 1 0 274.389 3.188 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)C(C)(C)O ZINC000394028433 799493163 /nfs/dbraw/zinc/49/31/63/799493163.db2.gz HMADCCJOXOBTLL-KRWDZBQOSA-N 1 0 290.451 3.316 20 10 CGCDRO CC[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2C)C(C)(C)O ZINC000394013161 799493224 /nfs/dbraw/zinc/49/32/24/799493224.db2.gz NPWUEKNDKPLGRZ-DYEKYZERSA-N 1 0 277.408 3.388 20 10 CGCDRO CC[C@H]([NH2+]C[C@@]1(C)CC1(F)F)c1ccccc1O ZINC000689213990 799761431 /nfs/dbraw/zinc/76/14/31/799761431.db2.gz LUQZEQPHTBXDHO-WCQYABFASA-N 1 0 255.308 3.478 20 10 CGCDRO Cc1cnc(CC[NH2+][C@@H](C)c2ccccc2O)c(C)c1 ZINC000689484056 799765159 /nfs/dbraw/zinc/76/51/59/799765159.db2.gz HPCWZANGSIKLCC-AWEZNQCLSA-N 1 0 270.376 3.297 20 10 CGCDRO CC(C)(C)N1CC[C@H]1C[NH2+]Cc1cc(Cl)ccc1O ZINC000690344507 799775462 /nfs/dbraw/zinc/77/54/62/799775462.db2.gz VZAGZINJNJMEPT-ZDUSSCGKSA-N 1 0 282.815 3.008 20 10 CGCDRO CCc1cccc(C[NH2+]CCc2ccsc2)c1O ZINC000691498567 799785421 /nfs/dbraw/zinc/78/54/21/799785421.db2.gz ZSABGTBONBSTSY-UHFFFAOYSA-N 1 0 261.390 3.348 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]C[C@@H]2CCC3(CCCC3)O2)c1 ZINC000691816870 799788336 /nfs/dbraw/zinc/78/83/36/799788336.db2.gz ZZUVAGVNXIVVFW-HNNXBMFYSA-N 1 0 275.392 3.282 20 10 CGCDRO CCOc1cccc(C[NH2+]C(C)(C2CC2)C2CC2)c1O ZINC000691817009 799788872 /nfs/dbraw/zinc/78/88/72/799788872.db2.gz XAVCXBSEWJADSN-UHFFFAOYSA-N 1 0 275.392 3.459 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]CC2CC(C)C2)c1O ZINC000691910724 799789288 /nfs/dbraw/zinc/78/92/88/799789288.db2.gz BFRDWPWLVCNNPJ-UHFFFAOYSA-N 1 0 269.772 3.190 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCC[C@H](OC(C)C)C2)c1O ZINC000692113492 799791482 /nfs/dbraw/zinc/79/14/82/799791482.db2.gz DDYSTOYRGVLNBH-INIZCTEOSA-N 1 0 277.408 3.344 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCN(C(C)(C)C)C1)c1ccccc1O ZINC000693889526 799818321 /nfs/dbraw/zinc/81/83/21/799818321.db2.gz NCHIQRVBDZMNSC-ZFWWWQNUSA-N 1 0 276.424 3.306 20 10 CGCDRO c1cc(C[NH2+]C[C@@H]2CCC[C@@H]3C[C@@H]32)cc2c1OCC2 ZINC000694361637 799821372 /nfs/dbraw/zinc/82/13/72/799821372.db2.gz SPXQWEUIVDJKFQ-KBMXLJTQSA-N 1 0 257.377 3.147 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]C1(C2CCC2)CC1 ZINC000697426149 799845540 /nfs/dbraw/zinc/84/55/40/799845540.db2.gz JHHZKYWWUMTGMU-UHFFFAOYSA-N 1 0 251.757 3.468 20 10 CGCDRO C[C@@H](C[NH2+][C@@H](C)c1cc(F)ccc1O)CC(F)F ZINC000697750476 799848690 /nfs/dbraw/zinc/84/86/90/799848690.db2.gz CFKFBWGSIAFVSQ-BDAKNGLRSA-N 1 0 261.287 3.473 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(Br)cc1O)C1CC1 ZINC000701014201 799883420 /nfs/dbraw/zinc/88/34/20/799883420.db2.gz MDGBMBPEZOASTJ-MRVPVSSYSA-N 1 0 270.170 3.043 20 10 CGCDRO CO[C@H](C[NH2+]Cc1cccc(C)c1O)C1CCCCC1 ZINC000702566351 799911517 /nfs/dbraw/zinc/91/15/17/799911517.db2.gz WPLRTSRJEUGRAL-MRXNPFEDSA-N 1 0 277.408 3.386 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]C2CCC(OC)CC2)c1O ZINC000703797519 799929976 /nfs/dbraw/zinc/92/99/76/799929976.db2.gz QSBQNFGUBZAXSD-UHFFFAOYSA-N 1 0 299.798 3.101 20 10 CGCDRO CC1(C)CC([NH2+]Cc2c(O)cccc2Br)C1 ZINC000706809557 799967064 /nfs/dbraw/zinc/96/70/64/799967064.db2.gz FEEFTFLSBQSRAT-UHFFFAOYSA-N 1 0 284.197 3.433 20 10 CGCDRO C[C@H]1CCC[C@@H]1[NH2+]Cc1c(O)cccc1Br ZINC000706857802 799969243 /nfs/dbraw/zinc/96/92/43/799969243.db2.gz FXUQOZHMQGOIIB-CABZTGNLSA-N 1 0 284.197 3.433 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(Br)cc1O)C1(C)CC1 ZINC000706955663 799971886 /nfs/dbraw/zinc/97/18/86/799971886.db2.gz IBOBOJHMXYEGHS-SECBINFHSA-N 1 0 284.197 3.433 20 10 CGCDRO C[C@H]1CC[N@H+](Cc2cc(F)cc(F)c2[O-])C[C@H]1C ZINC000708424650 799989085 /nfs/dbraw/zinc/98/90/85/799989085.db2.gz ZBLQKABDBNZXQY-VHSXEESVSA-N 1 0 255.308 3.148 20 10 CGCDRO COc1cccc(C[N@@H+]2CC[C@@](C)(C(F)(F)F)C2)c1O ZINC000708615805 799991426 /nfs/dbraw/zinc/99/14/26/799991426.db2.gz ANCCGXBABROMSJ-CYBMUJFWSA-N 1 0 289.297 3.175 20 10 CGCDRO COC(C)(C)CC[NH2+][C@H](C)c1cc(C)ccc1O ZINC000711883896 800078700 /nfs/dbraw/zinc/07/87/00/800078700.db2.gz KIWUUVZOPFVJMP-GFCCVEGCSA-N 1 0 251.370 3.166 20 10 CGCDRO COc1ccc(C[NH2+][C@H](C)CC2CCCC2)c(O)c1 ZINC000712568370 800093653 /nfs/dbraw/zinc/09/36/53/800093653.db2.gz YFUOTSBEAAAFSF-GFCCVEGCSA-N 1 0 263.381 3.459 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+][C@H](C)c2ccns2)c1O ZINC000715979274 800156664 /nfs/dbraw/zinc/15/66/64/800156664.db2.gz RLJFDKSGDXCOEM-MRVPVSSYSA-N 1 0 298.795 3.362 20 10 CGCDRO CO[C@@H]1CCC[C@H]([NH2+][C@H](C)c2ccccc2O)CC1 ZINC000718353043 800216203 /nfs/dbraw/zinc/21/62/03/800216203.db2.gz OTQIUEWFIKFPDE-HZSPNIEDSA-N 1 0 263.381 3.391 20 10 CGCDRO COCC(C)(C)CC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000718767273 800222680 /nfs/dbraw/zinc/22/26/80/800222680.db2.gz CUAIMSFKQNAHIK-ZDUSSCGKSA-N 1 0 263.381 3.032 20 10 CGCDRO Cc1cccc(C[NH2+]Cc2ncc(Cl)s2)c1O ZINC000719403436 800238498 /nfs/dbraw/zinc/23/84/98/800238498.db2.gz UDQYOHYZCDCQSW-UHFFFAOYSA-N 1 0 268.769 3.100 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2nc3c(s2)CCC3)c1 ZINC000719571599 800243589 /nfs/dbraw/zinc/24/35/89/800243589.db2.gz TTWPGBRDLCLAGW-NSHDSACASA-N 1 0 288.416 3.497 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)C(C)(C)OC)c1ccccc1O ZINC000720207312 800253396 /nfs/dbraw/zinc/25/33/96/800253396.db2.gz NROGKCGTGJZMSJ-AAEUAGOBSA-N 1 0 251.370 3.246 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)C(C)(C)OC)cc1 ZINC000720256889 800255200 /nfs/dbraw/zinc/25/52/00/800255200.db2.gz MWWJRHPCVGSWDW-CQSZACIVSA-N 1 0 278.440 3.436 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1CC[C@@H](C2CC2)O1)c1ccccc1O ZINC000722319807 800313088 /nfs/dbraw/zinc/31/30/88/800313088.db2.gz GGRPUYJONVOEGV-GHJWDPDVSA-N 1 0 261.365 3.000 20 10 CGCDRO COc1ccc(C[NH2+]C[C@@H]2CC[C@@H](C3CC3)O2)cc1C ZINC000722333791 800314026 /nfs/dbraw/zinc/31/40/26/800314026.db2.gz OQKZFDBCGNJDBG-RDJZCZTQSA-N 1 0 275.392 3.051 20 10 CGCDRO Cc1cc(N(CCC[NH3+])C(C)C)ccc1OC(C)C ZINC001164129022 806897699 /nfs/dbraw/zinc/89/76/99/806897699.db2.gz UGSPQGPRKBEPPK-UHFFFAOYSA-N 1 0 264.413 3.346 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCCC[C@H]1N(C)C ZINC001118012040 802518627 /nfs/dbraw/zinc/51/86/27/802518627.db2.gz LLZJYWAALOEIHL-ZWKOTPCHSA-N 1 0 289.467 3.023 20 10 CGCDRO Cc1csc(C[N@@H+]2CCc3cccc(O)c3C2)c1 ZINC001137159637 803691387 /nfs/dbraw/zinc/69/13/87/803691387.db2.gz HEHJMNZZDBOQAB-UHFFFAOYSA-N 1 0 259.374 3.320 20 10 CGCDRO CC[N@H+](Cc1nc2ccccn2c1C)Cc1ccccc1O ZINC001137274076 803706659 /nfs/dbraw/zinc/70/66/59/803706659.db2.gz FNGOACVRPYREAW-UHFFFAOYSA-N 1 0 295.386 3.370 20 10 CGCDRO F[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)C[C@@H]2C[C@@H]21 ZINC001138215594 803873814 /nfs/dbraw/zinc/87/38/14/803873814.db2.gz KOUWWOKVBLKZEN-SZMVWBNQSA-N 1 0 288.410 3.467 20 10 CGCDRO Cc1c(C[N@H+]2CC[C@H](OC(C)C)C2)c2ccccc2n1C ZINC001138258715 803883415 /nfs/dbraw/zinc/88/34/15/803883415.db2.gz ZHAJLHXVYJKTKX-HNNXBMFYSA-N 1 0 286.419 3.486 20 10 CGCDRO CC(=O)[C@H]1CCC[N@@H+](Cc2c(C)n(C)c3ccccc32)C1 ZINC001138258630 803884982 /nfs/dbraw/zinc/88/49/82/803884982.db2.gz XGCRMGOVVIFAOT-HNNXBMFYSA-N 1 0 284.403 3.288 20 10 CGCDRO CC[N@H+](Cc1ccc2c(c1)CCCN2C)Cc1ccccn1 ZINC001138356355 803900562 /nfs/dbraw/zinc/90/05/62/803900562.db2.gz MBXNFXPPGLHMSS-UHFFFAOYSA-N 1 0 295.430 3.486 20 10 CGCDRO Cc1cc(C[N@@H+]2CC[C@](C)(F)[C@H](F)C2)ccc1N(C)C ZINC001139669614 804245132 /nfs/dbraw/zinc/24/51/32/804245132.db2.gz DLUNKFJSEUKREA-CVEARBPZSA-N 1 0 282.378 3.333 20 10 CGCDRO Cc1cc(C[N@@H+]2CCc3occc3C2)ccc1N(C)C ZINC001139674414 804248054 /nfs/dbraw/zinc/24/80/54/804248054.db2.gz YVLSDWNXLFUDMY-UHFFFAOYSA-N 1 0 270.376 3.212 20 10 CGCDRO Cc1nc2c(s1)C[N@H+](Cc1c(C)ccc(C)c1O)CC2 ZINC001140182366 804396386 /nfs/dbraw/zinc/39/63/86/804396386.db2.gz QSGDKUVKTLMWDP-UHFFFAOYSA-N 1 0 288.416 3.332 20 10 CGCDRO Cc1ccc(C)c(C[N@H+](C)Cc2cccnc2)c1O ZINC001140181609 804396505 /nfs/dbraw/zinc/39/65/05/804396505.db2.gz XUJGKIRUDYLNBN-UHFFFAOYSA-N 1 0 256.349 3.036 20 10 CGCDRO Cc1ccc(C)c(C[N@H+](C)Cc2cccnc2C)c1O ZINC001140184904 804398023 /nfs/dbraw/zinc/39/80/23/804398023.db2.gz KKSOLNXBMVDJEN-UHFFFAOYSA-N 1 0 270.376 3.344 20 10 CGCDRO Cc1ccc(C)c(C[N@@H+](C(C)C)C2CCN(C)CC2)c1O ZINC001140185545 804398611 /nfs/dbraw/zinc/39/86/11/804398611.db2.gz YADVSCQAKBHVTC-UHFFFAOYSA-N 1 0 290.451 3.314 20 10 CGCDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)Cc1ccncc1O ZINC001140277636 804407535 /nfs/dbraw/zinc/40/75/35/804407535.db2.gz IGLARWJRTPXWTG-UHFFFAOYSA-N 1 0 297.402 3.019 20 10 CGCDRO C[N@H+](C1CC1)C1CCN(Cc2c(O)cccc2Cl)CC1 ZINC001140342049 804419987 /nfs/dbraw/zinc/41/99/87/804419987.db2.gz QQBPOEWKKODFQL-UHFFFAOYSA-N 1 0 294.826 3.104 20 10 CGCDRO Oc1cccc(Cl)c1C[NH+]1CC(c2cccnc2)C1 ZINC001140341464 804420896 /nfs/dbraw/zinc/42/08/96/804420896.db2.gz PIWCMGOWJGUQAL-UHFFFAOYSA-N 1 0 274.751 3.040 20 10 CGCDRO O=C1CCN(Cc2ccc(Cl)cc2O)[C@H]2CCCC[C@@H]12 ZINC001140461731 804441791 /nfs/dbraw/zinc/44/17/91/804441791.db2.gz SERJRGZQEFSLDT-KGLIPLIRSA-N 1 0 293.794 3.379 20 10 CGCDRO C[C@@]1(CF)CC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140463280 804442338 /nfs/dbraw/zinc/44/23/38/804442338.db2.gz YNTNTRCCYLDRGW-ZDUSSCGKSA-N 1 0 257.736 3.227 20 10 CGCDRO CC(C)O[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140466160 804443726 /nfs/dbraw/zinc/44/37/26/804443726.db2.gz ZJSXBDNFLNXERG-CYBMUJFWSA-N 1 0 269.772 3.045 20 10 CGCDRO Cc1cc(C[N@@H+]2CCc3cccc(O)c3C2)cc(C)c1O ZINC001140659170 804486055 /nfs/dbraw/zinc/48/60/55/804486055.db2.gz QYCKLRWTTOXSKO-UHFFFAOYSA-N 1 0 283.371 3.273 20 10 CGCDRO C[C@@H]1CCC[N@@H+]1Cc1ccc(N(C)C)cc1Cl ZINC001140921356 804549513 /nfs/dbraw/zinc/54/95/13/804549513.db2.gz BXUHMNXNDLQWGN-LLVKDONJSA-N 1 0 252.789 3.390 20 10 CGCDRO CCOC1CC[NH+](Cc2ccc(N(C)C)cc2Cl)CC1 ZINC001140923951 804550465 /nfs/dbraw/zinc/55/04/65/804550465.db2.gz LZWVEEWHAUOQRQ-UHFFFAOYSA-N 1 0 296.842 3.407 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H]2C(C)(C)O)c(Cl)c1 ZINC001140925134 804551001 /nfs/dbraw/zinc/55/10/01/804551001.db2.gz OMBMOUAKKLFOER-HNNXBMFYSA-N 1 0 296.842 3.141 20 10 CGCDRO Cc1ccc(C[N@@H+]2CC[C@H](Oc3ccccc3)C2)c(O)c1 ZINC001140949464 804555361 /nfs/dbraw/zinc/55/53/61/804555361.db2.gz BOPILAXCKLYCND-KRWDZBQOSA-N 1 0 283.371 3.354 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCC(=O)[C@@H]3CCCC[C@@H]32)c(O)c1 ZINC001140948687 804555587 /nfs/dbraw/zinc/55/55/87/804555587.db2.gz VSAHRZPKCDXNCT-CABCVRRESA-N 1 0 273.376 3.034 20 10 CGCDRO CC[N@H+](Cc1ccccc1O)Cc1ccc(C)cc1O ZINC001140957496 804557807 /nfs/dbraw/zinc/55/78/07/804557807.db2.gz BJNXBWDHNWDEKU-UHFFFAOYSA-N 1 0 271.360 3.428 20 10 CGCDRO CCCC[N@H+](CC)Cc1ccc2c(c1)OCCN2C ZINC001141139508 804597344 /nfs/dbraw/zinc/59/73/44/804597344.db2.gz VVFRKPVMNPCZFD-UHFFFAOYSA-N 1 0 262.397 3.137 20 10 CGCDRO CC[N@H+](Cc1cccs1)Cc1cc(O)ccc1O ZINC001141161533 804601570 /nfs/dbraw/zinc/60/15/70/804601570.db2.gz UIYNHAWOEKBNEE-UHFFFAOYSA-N 1 0 263.362 3.181 20 10 CGCDRO CC(C)[N@H+](CCCCCO)Cc1cc(F)c(F)cc1[O-] ZINC001142531403 804733193 /nfs/dbraw/zinc/73/31/93/804733193.db2.gz WLHSVPQAEYLKJX-UHFFFAOYSA-N 1 0 287.350 3.043 20 10 CGCDRO CC(C)(C)c1cccc(C[N@@H+]2CCCC3(COC3)C2)c1O ZINC001143103696 804802454 /nfs/dbraw/zinc/80/24/54/804802454.db2.gz IYRPQDCFQUJCOR-UHFFFAOYSA-N 1 0 289.419 3.302 20 10 CGCDRO CC(C)(C)c1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1O ZINC001143104561 804802468 /nfs/dbraw/zinc/80/24/68/804802468.db2.gz VHOCUWBZWAIFLZ-OKILXGFUSA-N 1 0 275.392 3.053 20 10 CGCDRO CC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143111563 804803710 /nfs/dbraw/zinc/80/37/10/804803710.db2.gz CTSDIUPIGBQNTM-CQSZACIVSA-N 1 0 289.419 3.491 20 10 CGCDRO CC[C@H](c1ccccc1)[N@H+](C)Cc1c(O)cc(O)cc1O ZINC001144514550 804997905 /nfs/dbraw/zinc/99/79/05/804997905.db2.gz KHFCMPYMWSEJPJ-OAHLLOKOSA-N 1 0 287.359 3.387 20 10 CGCDRO Cc1cc(C[N@@H+]2CCC3(CC3)C2)c(O)cc1Br ZINC001250120875 805427990 /nfs/dbraw/zinc/42/79/90/805427990.db2.gz SVARDRAWNGHQGP-UHFFFAOYSA-N 1 0 296.208 3.449 20 10 CGCDRO Oc1cc(C(F)(F)F)ccc1Nc1cc[nH+]c2c1CCC2 ZINC001212631004 815089276 /nfs/dbraw/zinc/08/92/76/815089276.db2.gz YYGACRGMQNDJMT-UHFFFAOYSA-N 1 0 294.276 3.460 20 10 CGCDRO CCC[C@H](C)CC[C@H](C)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001257465388 807170225 /nfs/dbraw/zinc/17/02/25/807170225.db2.gz DPBBVQWWAFNWDF-GDZNZVCISA-N 1 0 295.423 3.326 20 10 CGCDRO CCC1(Nc2ccc(-n3c(C)ccc3C)cc2)C[NH2+]C1 ZINC001168583207 807451438 /nfs/dbraw/zinc/45/14/38/807451438.db2.gz IJDFMEXVKCJNCS-UHFFFAOYSA-N 1 0 269.392 3.258 20 10 CGCDRO C[C@H](Cc1cccnc1)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC001258617052 807511765 /nfs/dbraw/zinc/51/17/65/807511765.db2.gz PEOBRQWKMFYPAH-CABCVRRESA-N 1 0 283.419 3.429 20 10 CGCDRO CCOc1ccc(N2CC[NH+]([C@@H]3CC[C@H](C)C3)CC2)cc1 ZINC001170157619 807780514 /nfs/dbraw/zinc/78/05/14/807780514.db2.gz LCKKFZXFRQPFKF-DOTOQJQBSA-N 1 0 288.435 3.396 20 10 CGCDRO Cc1[nH+]ccc(NCc2cc3ccccc3cc2O)c1F ZINC001171406754 808048792 /nfs/dbraw/zinc/04/87/92/808048792.db2.gz DQXYHEWAONAJBI-UHFFFAOYSA-N 1 0 282.318 3.422 20 10 CGCDRO Oc1ccccc1C[NH2+][C@H]1CSc2ccccc2C1 ZINC001172189259 808192475 /nfs/dbraw/zinc/19/24/75/808192475.db2.gz CWVUAKDDEBXXTH-CQSZACIVSA-N 1 0 271.385 3.199 20 10 CGCDRO C[C@@H]1CC[C@@H]([NH2+]CCc2ccc(O)c(O)c2)C[C@@H]1C ZINC001172359818 808253792 /nfs/dbraw/zinc/25/37/92/808253792.db2.gz OLRAJUDMLFHFED-MBNYWOFBSA-N 1 0 263.381 3.055 20 10 CGCDRO CCOCC[C@H](C)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001172408392 808296010 /nfs/dbraw/zinc/29/60/10/808296010.db2.gz INQGTFNAUYFGNU-HNNXBMFYSA-N 1 0 276.424 3.192 20 10 CGCDRO Cc1ccc2c(c1)C[C@H]([NH2+]CCc1ccc(O)c(O)c1)CC2 ZINC001172833912 808451305 /nfs/dbraw/zinc/45/13/05/808451305.db2.gz CEPJQWJVEVWDKW-QGZVFWFLSA-N 1 0 297.398 3.096 20 10 CGCDRO Cc1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc(O)cc1O)CC2 ZINC001172836203 808452408 /nfs/dbraw/zinc/45/24/08/808452408.db2.gz UCQVHSKNMRJHET-INIZCTEOSA-N 1 0 283.371 3.053 20 10 CGCDRO Cc1cc(Nc2cccc(C(F)(F)F)c2O)cc[nH+]1 ZINC001174657733 809121136 /nfs/dbraw/zinc/12/11/36/809121136.db2.gz OLVGHTKHNNDIRD-UHFFFAOYSA-N 1 0 268.238 3.280 20 10 CGCDRO Oc1cccc(Nc2cccc(C[NH+]3CCCC3)c2)c1O ZINC001176198468 809646226 /nfs/dbraw/zinc/64/62/26/809646226.db2.gz HOJKEPUQHVYEHJ-UHFFFAOYSA-N 1 0 284.359 3.437 20 10 CGCDRO CCc1cccc(C[NH2+][C@H](C(C)C)[C@@H](CO)C(C)C)c1O ZINC001181891527 810081349 /nfs/dbraw/zinc/08/13/49/810081349.db2.gz AXFIRPZQHKGZLL-DLBZAZTESA-N 1 0 293.451 3.333 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H](C(C)C)[C@@H](CO)C(C)C)c1O ZINC001181891529 810081734 /nfs/dbraw/zinc/08/17/34/810081734.db2.gz AXFIRPZQHKGZLL-IRXDYDNUSA-N 1 0 293.451 3.333 20 10 CGCDRO CCCC[C@](C)(CO)[NH2+]Cc1ccc(Cl)cc1O ZINC001182575402 810115682 /nfs/dbraw/zinc/11/56/82/810115682.db2.gz ZQCFZZFHKVKUIY-CQSZACIVSA-N 1 0 271.788 3.076 20 10 CGCDRO Oc1cc(Cl)ccc1C[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC001183371801 810147480 /nfs/dbraw/zinc/14/74/80/810147480.db2.gz TXIRLVZIMVEPQY-NWDGAFQWSA-N 1 0 283.824 3.231 20 10 CGCDRO Oc1cc(Cl)ccc1C[NH2+][C@@H](C1CCC1)[C@@H]1CCOC1 ZINC001183406118 810148173 /nfs/dbraw/zinc/14/81/73/810148173.db2.gz BXEUMEGPXYEYHD-CJNGLKHVSA-N 1 0 295.810 3.340 20 10 CGCDRO CCN1CCCC[C@@H]1C[NH2+]Cc1c(C)c2ccccc2n1C ZINC001200413029 811687988 /nfs/dbraw/zinc/68/79/88/811687988.db2.gz VIEXQNQIYSTIMO-MRXNPFEDSA-N 1 0 299.462 3.451 20 10 CGCDRO CC[N@H+](CCC1CCOCC1)Cc1ccccc1O ZINC001202667924 812149686 /nfs/dbraw/zinc/14/96/86/812149686.db2.gz DGHUGKRMLZPIDY-UHFFFAOYSA-N 1 0 263.381 3.031 20 10 CGCDRO C[C@H]1CCC[C@@H](C[NH2+]Cc2ccc3c(c2)CCCO3)O1 ZINC001203162324 812257818 /nfs/dbraw/zinc/25/78/18/812257818.db2.gz ZFAWQMYEXZAHKQ-BBRMVZONSA-N 1 0 275.392 3.059 20 10 CGCDRO CCCn1cc(C[NH2+][C@@H](C)c2ccccc2O)c(C)n1 ZINC001203536388 812386306 /nfs/dbraw/zinc/38/63/06/812386306.db2.gz QUVFSOWCLBQMRY-ZDUSSCGKSA-N 1 0 273.380 3.158 20 10 CGCDRO Cc1ccccc1O[C@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC001203555872 812391171 /nfs/dbraw/zinc/39/11/71/812391171.db2.gz ICSFFMIWGBVMMY-INIZCTEOSA-N 1 0 283.371 3.354 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CCCC[C@H](F)C2)c1O ZINC001203602390 812405647 /nfs/dbraw/zinc/40/56/47/812405647.db2.gz TVGARSSRSIEZFY-ZDUSSCGKSA-N 1 0 267.344 3.115 20 10 CGCDRO COc1ccc(C[N@@H+]2CCC(F)(F)C(C)(C)C2)c(O)c1 ZINC001203621320 812409074 /nfs/dbraw/zinc/40/90/74/812409074.db2.gz TTYSDFIQFWHLDY-UHFFFAOYSA-N 1 0 285.334 3.268 20 10 CGCDRO COc1ccc(C[N@@H+]2CCC[C@H](C)[C@@H](C)C2)c(O)c1 ZINC001203621314 812409416 /nfs/dbraw/zinc/40/94/16/812409416.db2.gz SOWSXKQCYRUNCH-STQMWFEESA-N 1 0 263.381 3.269 20 10 CGCDRO COc1ccc(C[N@@H+]2CC[C@H]2c2ccccc2)c(O)c1 ZINC001203628772 812411329 /nfs/dbraw/zinc/41/13/29/812411329.db2.gz HXZXTQDSJHCCCQ-INIZCTEOSA-N 1 0 269.344 3.348 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@@H]2CCCO[C@@H]2C1 ZINC001203651760 812416048 /nfs/dbraw/zinc/41/60/48/812416048.db2.gz UATVJYVAXSAOOP-XHDPSFHLSA-N 1 0 281.783 3.047 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2Cc3cccc(C)c3C2)c1 ZINC001203670748 812426209 /nfs/dbraw/zinc/42/62/09/812426209.db2.gz ZBFUPYRWRYFRFG-UHFFFAOYSA-N 1 0 269.344 3.225 20 10 CGCDRO Oc1ccc(C[NH+]2CCC3(CC[C@H](F)C3)CC2)cc1O ZINC001203880443 812478302 /nfs/dbraw/zinc/47/83/02/812478302.db2.gz RWIHXWUQBBXSLP-ZDUSSCGKSA-N 1 0 279.355 3.202 20 10 CGCDRO Cc1ccc(C[N@@H+](C)Cc2ccc(O)c(O)c2)cc1 ZINC001203879281 812478579 /nfs/dbraw/zinc/47/85/79/812478579.db2.gz NUZOPFAJRAVLAG-UHFFFAOYSA-N 1 0 257.333 3.038 20 10 CGCDRO Oc1cccc2c1C[N@H+](Cc1ccc(F)cc1)CC2 ZINC001203915635 812491517 /nfs/dbraw/zinc/49/15/17/812491517.db2.gz YFWWPSZSDPHMIT-UHFFFAOYSA-N 1 0 257.308 3.090 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)cc1 ZINC001203942397 812497211 /nfs/dbraw/zinc/49/72/11/812497211.db2.gz OYFNUIGSHWCNSU-XIRDDKMYSA-N 1 0 276.399 3.465 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](O)[C@H](C)C2)cc1 ZINC001203940301 812497315 /nfs/dbraw/zinc/49/73/15/812497315.db2.gz LONIGDWMYMURPZ-QAPCUYQASA-N 1 0 290.451 3.126 20 10 CGCDRO C[N@H+](CCCc1ccccc1)Cc1ccc(O)cc1O ZINC001204275482 812594866 /nfs/dbraw/zinc/59/48/66/812594866.db2.gz SEZFIRSJAFTLIL-UHFFFAOYSA-N 1 0 271.360 3.162 20 10 CGCDRO F[C@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)C[C@@H]2C[C@@H]21 ZINC001204323221 812612773 /nfs/dbraw/zinc/61/27/73/812612773.db2.gz GFGOUONAWPVNNZ-XIRDDKMYSA-N 1 0 274.383 3.077 20 10 CGCDRO COc1cc(C[NH+](CC(C)C)CC(C)C)cc(O)c1O ZINC001204340501 812615771 /nfs/dbraw/zinc/61/57/71/812615771.db2.gz UPUJWJROCXWKKD-UHFFFAOYSA-N 1 0 281.396 3.220 20 10 CGCDRO COc1cc(C[NH+]2C3CCCC2CCC3)cc(O)c1O ZINC001204348625 812617721 /nfs/dbraw/zinc/61/77/21/812617721.db2.gz FSJKKEXKBRTFJU-UHFFFAOYSA-N 1 0 277.364 3.013 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+][C@H](C)CC(C)(C)O)c1 ZINC001205861393 813113043 /nfs/dbraw/zinc/11/30/43/813113043.db2.gz VPPKKBDZTFVVLS-GFCCVEGCSA-N 1 0 265.397 3.155 20 10 CGCDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)Cc1ccc(F)cn1 ZINC001207041792 813471330 /nfs/dbraw/zinc/47/13/30/813471330.db2.gz JPPMZVHOWUPTMB-UHFFFAOYSA-N 1 0 299.393 3.453 20 10 CGCDRO CC1(C)CCC[C@@H](C[NH2+]Cc2ccc(Cl)cc2O)O1 ZINC001207735723 813641147 /nfs/dbraw/zinc/64/11/47/813641147.db2.gz OXDSYQCXLQAKSJ-ZDUSSCGKSA-N 1 0 283.799 3.483 20 10 CGCDRO CC[N@@H+](Cc1ccc(N(C)C)cc1)C[C@@H]1CCCCO1 ZINC001207961963 813680956 /nfs/dbraw/zinc/68/09/56/813680956.db2.gz FGYOMYFYLCNEQE-KRWDZBQOSA-N 1 0 276.424 3.144 20 10 CGCDRO CC[C@H](CCC(=O)OC)C[N@H+](CC)Cc1ccccc1O ZINC001208785805 813847716 /nfs/dbraw/zinc/84/77/16/813847716.db2.gz ISCFEWXNGUJEHI-CQSZACIVSA-N 1 0 293.407 3.194 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(C[N@H+]2CC[C@H](O)C[C@H]2C)cc1 ZINC001209520114 814072845 /nfs/dbraw/zinc/07/28/45/814072845.db2.gz NJTYDLNYTVCBTQ-APWZRJJASA-N 1 0 298.430 3.439 20 10 CGCDRO CN(c1ccc(N)cc1)c1cccc(C[NH+](C)C)c1F ZINC001216231506 815748777 /nfs/dbraw/zinc/74/87/77/815748777.db2.gz BSQXXETYKHVNOI-UHFFFAOYSA-N 1 0 273.355 3.237 20 10 CGCDRO Cc1c(CN2CCC[C@@]3(CCC[NH2+]3)C2)c2ccccc2n1C ZINC001222347106 816415202 /nfs/dbraw/zinc/41/52/02/816415202.db2.gz WFBRYFDDMMUXCK-IBGZPJMESA-N 1 0 297.446 3.205 20 10 CGCDRO Cc1c(CN2CCC3(CCC[NH2+]3)CC2)c2ccccc2n1C ZINC001226785290 817463366 /nfs/dbraw/zinc/46/33/66/817463366.db2.gz PMIRKNMUMISSDS-UHFFFAOYSA-N 1 0 297.446 3.205 20 10 CGCDRO Cc1ncc2n1CC[N@@H+](Cc1c(O)ccc3ccccc31)C2 ZINC001231586691 818129717 /nfs/dbraw/zinc/12/97/17/818129717.db2.gz KWJAICHESNVPGX-UHFFFAOYSA-N 1 0 293.370 3.066 20 10 CGCDRO Cc1cccc(C[N@H+](C)CCCC(=O)c2cccnc2)c1O ZINC001231593256 818131191 /nfs/dbraw/zinc/13/11/91/818131191.db2.gz SFMLKKPBQGXAJA-UHFFFAOYSA-N 1 0 298.386 3.191 20 10 CGCDRO Cc1cccc(CN2CC[C@H](C)C(F)(F)C2)c1O ZINC001231591286 818131202 /nfs/dbraw/zinc/13/12/02/818131202.db2.gz ZIYJQUCOGNYPIA-NSHDSACASA-N 1 0 255.308 3.178 20 10 CGCDRO Cc1cccc(C[N@@H+]2CC[C@H](OCc3ccccc3)C2)c1O ZINC001231593427 818132265 /nfs/dbraw/zinc/13/22/65/818132265.db2.gz XQXDEYFVGFPEHX-SFHVURJKSA-N 1 0 297.398 3.492 20 10 CGCDRO Cc1cccc(C[N@H+](C)Cc2nc3ccccc3o2)c1O ZINC001231594222 818132415 /nfs/dbraw/zinc/13/24/15/818132415.db2.gz YUMZKBYRDNMYFK-UHFFFAOYSA-N 1 0 282.343 3.474 20 10 CGCDRO Cc1cccc(CN2CC[NH+](CC3CCCC3)CC2)c1O ZINC001231593365 818132507 /nfs/dbraw/zinc/13/25/07/818132507.db2.gz VIGMGCYUDUUFNX-UHFFFAOYSA-N 1 0 288.435 3.008 20 10 CGCDRO Cc1cccc(C[N@H+](Cc2ccco2)C2CC2)c1O ZINC001231595328 818133699 /nfs/dbraw/zinc/13/36/99/818133699.db2.gz WSJDRTGXHUYKGR-UHFFFAOYSA-N 1 0 257.333 3.458 20 10 CGCDRO Cc1cc(C)c(C[N@H+](C)Cc2cnc3ccccn23)c(O)c1 ZINC001231843007 818185645 /nfs/dbraw/zinc/18/56/45/818185645.db2.gz RYCAQKNWFFJZGN-UHFFFAOYSA-N 1 0 295.386 3.289 20 10 CGCDRO Cc1cc(C)c(C[N@H+](CCO)Cc2ccccc2)c(O)c1 ZINC001231842559 818185687 /nfs/dbraw/zinc/18/56/87/818185687.db2.gz UKLFFTQHDLBBOV-UHFFFAOYSA-N 1 0 285.387 3.004 20 10 CGCDRO Cc1cc(C)c(C[N@@H+]2CC[C@@H](COCC3CC3)C2)c(O)c1 ZINC001231849711 818188615 /nfs/dbraw/zinc/18/86/15/818188615.db2.gz USZGDASXIGGPSL-MRXNPFEDSA-N 1 0 289.419 3.258 20 10 CGCDRO CC[N@H+](CCN1CCCCC1)Cc1c(C)cc(C)cc1O ZINC001231850096 818188903 /nfs/dbraw/zinc/18/89/03/818188903.db2.gz ZSRQNLJRZMKARQ-UHFFFAOYSA-N 1 0 290.451 3.317 20 10 CGCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H](C)[C@H]1C ZINC001231853884 818189165 /nfs/dbraw/zinc/18/91/65/818189165.db2.gz SXSOTUVFXTTYCV-ZIAGYGMSSA-N 1 0 276.424 3.382 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H]3CCCO[C@H]3C2)cc1Cl ZINC001231868822 818193546 /nfs/dbraw/zinc/19/35/46/818193546.db2.gz ZBCZDJTXSLNATM-LRDDRELGSA-N 1 0 295.810 3.355 20 10 CGCDRO Oc1cc(O)c(C[N@@H+]2CC[C@@H]3CCC[C@H]3C2)cc1Cl ZINC001232257957 818294842 /nfs/dbraw/zinc/29/48/42/818294842.db2.gz NLYWMRCETJHOPJ-QWRGUYRKSA-N 1 0 281.783 3.373 20 10 CGCDRO COc1cc(O)c(C[N@H+](C)CC(C)C)cc1Cl ZINC001232266048 818297565 /nfs/dbraw/zinc/29/75/65/818297565.db2.gz QAMRSNUZPMSODV-UHFFFAOYSA-N 1 0 257.761 3.142 20 10 CGCDRO COC(C)(C)[C@@H]1CCC[N@@H+]1Cc1cc(Cl)c(O)cc1O ZINC001232268279 818298755 /nfs/dbraw/zinc/29/87/55/818298755.db2.gz NTAQPFXVFBUVLA-AWEZNQCLSA-N 1 0 299.798 3.141 20 10 CGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cc(F)ccn1 ZINC001232499003 818373332 /nfs/dbraw/zinc/37/33/32/818373332.db2.gz NCEIXIQEXPGQQN-UHFFFAOYSA-N 1 0 287.382 3.309 20 10 CGCDRO Cc1ccc(CC[N@@H+](C)Cc2ccc(N(C)C)cc2O)cc1 ZINC001232840376 818453338 /nfs/dbraw/zinc/45/33/38/818453338.db2.gz VMHHJYSKNRDITD-UHFFFAOYSA-N 1 0 298.430 3.441 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2O)[C@H](C)C1 ZINC001232839716 818453606 /nfs/dbraw/zinc/45/36/06/818453606.db2.gz UVHBXIYDIYXNCT-CHWSQXEVSA-N 1 0 262.397 3.079 20 10 CGCDRO CN(C)c1ccc(CN2Cc3ccc(F)cc3C2)c(O)c1 ZINC001232838930 818453646 /nfs/dbraw/zinc/45/36/46/818453646.db2.gz DWOFLIJBYTYYQE-UHFFFAOYSA-N 1 0 286.350 3.113 20 10 CGCDRO Oc1cc(C[N@@H+]2CCC[C@@H]2C2CCCCC2)cc(O)c1O ZINC001233016685 818502860 /nfs/dbraw/zinc/50/28/60/818502860.db2.gz JXSFIXJHWVQSLN-CQSZACIVSA-N 1 0 291.391 3.348 20 10 CGCDRO C[C@@H]1COCC[N@H+](Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001233283999 818566150 /nfs/dbraw/zinc/56/61/50/818566150.db2.gz DLIHIMDGBYENAO-ZDUSSCGKSA-N 1 0 277.408 3.158 20 10 CGCDRO CC[C@H]1COCC[N@@H+]1Cc1cc(C(C)(C)C)ccc1O ZINC001233287098 818567350 /nfs/dbraw/zinc/56/73/50/818567350.db2.gz WKXVHNBSONAMBX-HNNXBMFYSA-N 1 0 277.408 3.301 20 10 CGCDRO [O-]c1ccc(F)c(F)c1C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC001233331532 818581507 /nfs/dbraw/zinc/58/15/07/818581507.db2.gz AANNAHBDIAEBSW-CQSZACIVSA-N 1 0 290.313 3.403 20 10 CGCDRO CC[NH+](CC)Cc1cccc(OC(F)(F)F)c1O ZINC001233726763 818692212 /nfs/dbraw/zinc/69/22/12/818692212.db2.gz HICSTDVPRZOQPS-UHFFFAOYSA-N 1 0 263.259 3.133 20 10 CGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@@H]3C)c2c1 ZINC001234525863 818874306 /nfs/dbraw/zinc/87/43/06/818874306.db2.gz LWNCVPTXIIJVHN-NSHDSACASA-N 1 0 257.333 3.148 20 10 CGCDRO CC[N@H+](CCN(C)C)Cc1cccc(-c2ccccc2)c1O ZINC001234989236 818970538 /nfs/dbraw/zinc/97/05/38/818970538.db2.gz BRBBJWBGJKFEDJ-UHFFFAOYSA-N 1 0 298.430 3.443 20 10 CGCDRO CC[C@H]1C[NH2+]CCN1Cc1ccc(N(C)C)c2ccccc12 ZINC001235768638 819164148 /nfs/dbraw/zinc/16/41/48/819164148.db2.gz ITGFWKLQDSPMPN-INIZCTEOSA-N 1 0 297.446 3.090 20 10 CGCDRO C[C@H]1CN(Cc2ccc(N(C)C)c3ccccc23)[C@@H](C)C[NH2+]1 ZINC001236078581 819304977 /nfs/dbraw/zinc/30/49/77/819304977.db2.gz JSMUEVNNWCOBHE-GJZGRUSLSA-N 1 0 297.446 3.088 20 10 CGCDRO CC(C)(C)c1cccc(CN2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1O ZINC001236092370 819310959 /nfs/dbraw/zinc/31/09/59/819310959.db2.gz DQIADCZUTKIOQC-GASCZTMLSA-N 1 0 288.435 3.016 20 10 CGCDRO C[C@@H]1C[NH2+]C[C@@H](C)N1Cc1ccc(N(C)C)c2ccccc12 ZINC001236103911 819319859 /nfs/dbraw/zinc/31/98/59/819319859.db2.gz ZKKZBHUJTNAPJQ-HUUCEWRRSA-N 1 0 297.446 3.088 20 10 CGCDRO Cc1cc2c(cccc2-c2cnn(CCC[NH+](C)C)c2)n1C ZINC001236157159 819349670 /nfs/dbraw/zinc/34/96/70/819349670.db2.gz FOFFIEIUIQUCPG-UHFFFAOYSA-N 1 0 296.418 3.302 20 10 CGCDRO C[C@H]1[C@H]([NH3+])CCCN1Cc1cccc(C(C)(C)C)c1O ZINC001236420769 819467176 /nfs/dbraw/zinc/46/71/76/819467176.db2.gz NOZLDOPNXTXKGQ-SWLSCSKDSA-N 1 0 276.424 3.001 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CC[C@H]3CCC[C@H]3C2)cc1OC ZINC001236750594 819590072 /nfs/dbraw/zinc/59/00/72/819590072.db2.gz TYFJZTHZUGCAIQ-OLZOCXBDSA-N 1 0 291.391 3.031 20 10 CGCDRO CCCC1CC[NH+](Cc2cc(OC)c(OC)cc2O)CC1 ZINC001236756220 819590337 /nfs/dbraw/zinc/59/03/37/819590337.db2.gz LRAQORIWFRZFHN-UHFFFAOYSA-N 1 0 293.407 3.422 20 10 CGCDRO CCc1ccc(C[N@H+](C2CCC2)C2CCOCC2)c(O)c1 ZINC001236787195 819595181 /nfs/dbraw/zinc/59/51/81/819595181.db2.gz HHVFYIFPIVARAV-UHFFFAOYSA-N 1 0 289.419 3.488 20 10 CGCDRO CCc1ccc(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)c(O)c1 ZINC001236794248 819596607 /nfs/dbraw/zinc/59/66/07/819596607.db2.gz JZPZWVGQGPAFJZ-CQSZACIVSA-N 1 0 267.319 3.186 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CCC3(CCC3)C2)c(Cl)c1 ZINC001236800604 819600476 /nfs/dbraw/zinc/60/04/76/819600476.db2.gz ALGRSINJOHSUEV-UHFFFAOYSA-N 1 0 281.783 3.430 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CC3CCC2CC3)c(O)c1 ZINC001236810816 819603898 /nfs/dbraw/zinc/60/38/98/819603898.db2.gz JXFRCSOAEAUIKQ-UHFFFAOYSA-N 1 0 261.365 3.084 20 10 CGCDRO COc1cc(C)c(C[N@H+](C)CC2CC(F)(F)C2)c(O)c1 ZINC001236811651 819604033 /nfs/dbraw/zinc/60/40/33/819604033.db2.gz UTTUUMYDZYQGPU-UHFFFAOYSA-N 1 0 285.334 3.186 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CC[C@@H](c3ccccn3)C2)c(O)c1 ZINC001236813407 819604590 /nfs/dbraw/zinc/60/45/90/819604590.db2.gz KELLATPBSWTORI-CQSZACIVSA-N 1 0 298.386 3.094 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2cc3ccccc3cc2O)CC[C@@H]1O ZINC001236826734 819609688 /nfs/dbraw/zinc/60/96/88/819609688.db2.gz MBDWBMOJZGLSBQ-DYVFJYSZSA-N 1 0 285.387 3.138 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2cc3ccccc3cc2O)[C@@H](C)CO1 ZINC001236837613 819616971 /nfs/dbraw/zinc/61/69/71/819616971.db2.gz REBHQOMGQCIVKL-QWHCGFSZSA-N 1 0 271.360 3.155 20 10 CGCDRO CCN1CCC([N@H+](C)Cc2cc3ccccc3cc2O)CC1 ZINC001236839090 819617024 /nfs/dbraw/zinc/61/70/24/819617024.db2.gz DQMMPIWTWGGJDE-UHFFFAOYSA-N 1 0 298.430 3.462 20 10 CGCDRO CC[C@H]([NH3+])CN(C)Cc1ccc(-n2c(C)ccc2C)cc1 ZINC001236866088 819626259 /nfs/dbraw/zinc/62/62/59/819626259.db2.gz RYZNLTNJMXOPCI-KRWDZBQOSA-N 1 0 285.435 3.263 20 10 CGCDRO COC1CC[NH+](Cc2ccc(C(C)C)cc2O)CC1 ZINC001237044187 819649052 /nfs/dbraw/zinc/64/90/52/819649052.db2.gz BGRGLNBVYKKYSU-UHFFFAOYSA-N 1 0 263.381 3.126 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2CC[C@@H](C)[C@](C)(O)C2)c(O)c1 ZINC001237046928 819650768 /nfs/dbraw/zinc/65/07/68/819650768.db2.gz WWJAVZFNTFPOIP-CXAGYDPISA-N 1 0 277.408 3.108 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2CC[C@@](C)(O)[C@@H](C)C2)c(O)c1 ZINC001237046746 819651198 /nfs/dbraw/zinc/65/11/98/819651198.db2.gz WTDNFSZASYNVLD-SUMWQHHRSA-N 1 0 277.408 3.108 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2C[C@@H](CO)CC[C@H]2C)c(O)c1 ZINC001237044418 819651233 /nfs/dbraw/zinc/65/12/33/819651233.db2.gz CSPWCAVZNIYEHS-KGLIPLIRSA-N 1 0 277.408 3.108 20 10 CGCDRO Cc1ncc(C[N@@H+](C)Cc2ccc(C(C)C)cc2O)cn1 ZINC001237054618 819654657 /nfs/dbraw/zinc/65/46/57/819654657.db2.gz DGQJXHHFGMMHQA-UHFFFAOYSA-N 1 0 285.391 3.246 20 10 CGCDRO Oc1ccc(F)c(Cl)c1C[N@H+]1C[C@H]2[C@H](CC2(F)F)C1 ZINC001237123687 819672531 /nfs/dbraw/zinc/67/25/31/819672531.db2.gz KNYIUUAGCGONJF-APPZFPTMSA-N 1 0 291.700 3.272 20 10 CGCDRO CCCO[C@H]1CC[N@H+](Cc2c(O)ccc(F)c2Cl)C1 ZINC001237125019 819672597 /nfs/dbraw/zinc/67/25/97/819672597.db2.gz QLKFJXZGQWPMQO-JTQLQIEISA-N 1 0 287.762 3.186 20 10 CGCDRO Oc1ccc(F)c(Cl)c1C[N@@H+]1CCC[C@@H](CF)C1 ZINC001237126387 819673645 /nfs/dbraw/zinc/67/36/45/819673645.db2.gz JVVLKMSVULBPFD-VIFPVBQESA-N 1 0 275.726 3.366 20 10 CGCDRO Cc1cccc(O)c1CN1CCCCC(F)(F)C1 ZINC001237482000 819760035 /nfs/dbraw/zinc/76/00/35/819760035.db2.gz IRQPFLSCSVJTNU-UHFFFAOYSA-N 1 0 255.308 3.322 20 10 CGCDRO Cc1cccc(O)c1C[NH+]1CCC2(CC(F)C2)CC1 ZINC001237484322 819762076 /nfs/dbraw/zinc/76/20/76/819762076.db2.gz BLHBLPDMMJYZKI-UHFFFAOYSA-N 1 0 263.356 3.415 20 10 CGCDRO Cc1cccc(O)c1C[N@H+](C)Cc1cccc2c1OCO2 ZINC001237496461 819764572 /nfs/dbraw/zinc/76/45/72/819764572.db2.gz YRZPPYQKLUYDKL-UHFFFAOYSA-N 1 0 285.343 3.061 20 10 CGCDRO CCC[N@H+](Cc1cc(OC)cc(OC)c1O)[C@H](C)CC ZINC001237674923 819804502 /nfs/dbraw/zinc/80/45/02/819804502.db2.gz NHZAHQFCUVXFJF-GFCCVEGCSA-N 1 0 281.396 3.420 20 10 CGCDRO COc1cc(C[N@@H+]2CCC[C@@H](C)[C@H]2C)c(O)c(OC)c1 ZINC001237676542 819804911 /nfs/dbraw/zinc/80/49/11/819804911.db2.gz PQABHDJFJFGXCW-VXGBXAGGSA-N 1 0 279.380 3.030 20 10 CGCDRO Cc1cc(F)cc(C[NH+]2CCc3ccccc3CC2)c1O ZINC001238061800 819920739 /nfs/dbraw/zinc/92/07/39/819920739.db2.gz IOCWHQGXWAFXQZ-UHFFFAOYSA-N 1 0 285.362 3.441 20 10 CGCDRO COC(C)(C)[C@@H]1CCC[N@@H+]1Cc1cc(F)cc(C)c1O ZINC001238060609 819920895 /nfs/dbraw/zinc/92/08/95/819920895.db2.gz CGPCWSOKIRRABV-AWEZNQCLSA-N 1 0 281.371 3.229 20 10 CGCDRO CC[NH+](CC)C1CCN(Cc2cc(F)cc(C)c2O)CC1 ZINC001238062803 819921361 /nfs/dbraw/zinc/92/13/61/819921361.db2.gz RTBILQKAODREAX-UHFFFAOYSA-N 1 0 294.414 3.146 20 10 CGCDRO C[N@H+]1CC=C(c2cc3c4c(c2)CCCN4CCC3)CC1 ZINC001241327463 821733954 /nfs/dbraw/zinc/73/39/54/821733954.db2.gz MJZUCURKOYXVOM-UHFFFAOYSA-N 1 0 268.404 3.104 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cccn2C2CC2)c1 ZINC001327295903 935051972 /nfs/dbraw/zinc/05/19/72/935051972.db2.gz DRKUNBJTISFUFZ-GFCCVEGCSA-N 1 0 286.375 3.388 20 10 CGCDRO C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001341567842 936442753 /nfs/dbraw/zinc/44/27/53/936442753.db2.gz OOBHPZBSWLLBNE-CRAIPNDOSA-N 1 0 288.435 3.022 20 10 CGCDRO CCOCc1cc(C[NH2+]C/C=C/C2CC2)ccc1OC ZINC001343897323 936517275 /nfs/dbraw/zinc/51/72/75/936517275.db2.gz XQTAAGLWZFHAIC-SNAWJCMRSA-N 1 0 275.392 3.288 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H](C)Cc1cnn(C)c1 ZINC001344437513 936534590 /nfs/dbraw/zinc/53/45/90/936534590.db2.gz GYUAQBQCWMGRAL-NFAWXSAZSA-N 1 0 299.418 3.203 20 10 CGCDRO CC[C@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(N)cc1 ZINC001345159775 936804671 /nfs/dbraw/zinc/80/46/71/936804671.db2.gz LDBGUTZVILXSJB-SFHVURJKSA-N 1 0 284.403 3.042 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@@H]2CCO[C@@H](C(C)C)C2)c1O ZINC001350316664 936987521 /nfs/dbraw/zinc/98/75/21/936987521.db2.gz NBCZBDLTLPYPIQ-HUUCEWRRSA-N 1 0 293.407 3.002 20 10 CGCDRO CO[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccc(Cl)cc2[O-])C1 ZINC001325314355 928244207 /nfs/dbraw/zinc/24/42/07/928244207.db2.gz WPIKSCBDICKTID-ZMLRMANQSA-N 1 0 269.772 3.264 20 10 CGCDRO Oc1cc(Cl)ccc1CN1CCOCC12CCCC2 ZINC001461965111 937609375 /nfs/dbraw/zinc/60/93/75/937609375.db2.gz DUZHTTFHUAXBCJ-UHFFFAOYSA-N 1 0 281.783 3.191 20 10 CGCDRO COC[C@@H](C)C[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001462205698 937625120 /nfs/dbraw/zinc/62/51/20/937625120.db2.gz INFPIHILGDXTNY-HNNXBMFYSA-N 1 0 276.424 3.001 20 10 CGCDRO CO[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2O)CC1(C)C ZINC001462254765 937627999 /nfs/dbraw/zinc/62/79/99/937627999.db2.gz JLJCKFVGXZBXOA-CQSZACIVSA-N 1 0 283.799 3.293 20 10 CGCDRO Cc1ccc(CN2CC([N@H+](C)Cc3ccccc3)C2)c(O)c1 ZINC001462322116 937632312 /nfs/dbraw/zinc/63/23/12/937632312.db2.gz PEXDPRPJJUIDPK-UHFFFAOYSA-N 1 0 296.414 3.017 20 10 CGCDRO CCC[C@@H](C[NH2+][C@@H](C)Cc1ccc(N(C)C)cc1C)OC ZINC001462353077 937634917 /nfs/dbraw/zinc/63/49/17/937634917.db2.gz DBMORSALKCRZLF-YJBOKZPZSA-N 1 0 292.467 3.397 20 10 CGCDRO Cc1cccc2c1C[C@@H]([NH2+]Cc1ccc3c(c1)CCO3)CO2 ZINC001308473386 933116404 /nfs/dbraw/zinc/11/64/04/933116404.db2.gz DTKUVOCFBQQYMB-MRXNPFEDSA-N 1 0 295.382 3.023 20 10 CGCDRO Oc1cc(Cl)ccc1C[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC001308600176 933139945 /nfs/dbraw/zinc/13/99/45/933139945.db2.gz XWGCIPHOYLWPIB-ZDUSSCGKSA-N 1 0 295.810 3.294 20 10 CGCDRO COc1cc(C)c(C[N@H+](C)[C@H](C)C(C)C)c(O)c1 ZINC001308613883 933143485 /nfs/dbraw/zinc/14/34/85/933143485.db2.gz KWTWVMFHRZSSNF-GFCCVEGCSA-N 1 0 251.370 3.186 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc(OC)cc1O)[C@@H]1CC1(C)C ZINC001308716982 933164564 /nfs/dbraw/zinc/16/45/64/933164564.db2.gz XJBOVOHYMNIZGP-UONOGXRCSA-N 1 0 263.381 3.315 20 10 CGCDRO CC[C@@](C)(C[NH2+][C@@H](C)Cc1ccc(N(C)C)cc1C)OC ZINC001308824533 933184171 /nfs/dbraw/zinc/18/41/71/933184171.db2.gz GYZBEJIIIAPPBA-YJBOKZPZSA-N 1 0 292.467 3.397 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(O)c(F)c1)c1ccccc1O ZINC001308903178 933200575 /nfs/dbraw/zinc/20/05/75/933200575.db2.gz XMSIBCVIXPLPSV-SNVBAGLBSA-N 1 0 261.296 3.088 20 10 CGCDRO Oc1cc(Cl)ccc1C[NH2+]C[C@@H]1CC[C@H](C2CC2)O1 ZINC001308961662 933214255 /nfs/dbraw/zinc/21/42/55/933214255.db2.gz ZVPGSXJYHGYCHY-DZGCQCFKSA-N 1 0 281.783 3.093 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)CC(C)(C)O1 ZINC001319706065 933919046 /nfs/dbraw/zinc/91/90/46/933919046.db2.gz TWXWBAICIHAVGN-OAHLLOKOSA-N 1 0 288.435 3.286 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)CC(=O)OC(C)(C)C)c1 ZINC001320252419 934020999 /nfs/dbraw/zinc/02/09/99/934020999.db2.gz FOORUHAIHROKRV-OLZOCXBDSA-N 1 0 293.407 3.472 20 10 CGCDRO CCC(CC)(CCO)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001321395965 934180248 /nfs/dbraw/zinc/18/02/48/934180248.db2.gz LHAJZSSLHFMTOW-UHFFFAOYSA-N 1 0 290.451 3.318 20 10 CGCDRO CO[C@H](C)[C@H](C)[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2C ZINC001321714284 934206064 /nfs/dbraw/zinc/20/60/64/934206064.db2.gz WXYHMPMTUSCNNL-WUHRBBMRSA-N 1 0 263.381 3.262 20 10 CGCDRO C[C@H]([NH2+]C1(C)CC1)c1ccc(N2CCOCC2)cc1Cl ZINC001324965249 934878251 /nfs/dbraw/zinc/87/82/51/934878251.db2.gz JMBLYVDYCIQVDC-LBPRGKRZSA-N 1 0 294.826 3.380 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+][C@H]1CCC[C@@H](F)C1 ZINC001326976799 935018805 /nfs/dbraw/zinc/01/88/05/935018805.db2.gz IJAQAQBSPISYIA-ZJUUUORDSA-N 1 0 257.736 3.416 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@@H](CN)CC(C)C ZINC001331837140 935412904 /nfs/dbraw/zinc/41/29/04/935412904.db2.gz ZPIKSSGMBCWJAN-MGPQQGTHSA-N 1 0 276.424 3.212 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+]CCCC(F)F)cc1 ZINC001332352347 935461011 /nfs/dbraw/zinc/46/10/11/935461011.db2.gz GUYKLBXCCFDSIC-HWKANZROSA-N 1 0 268.351 3.401 20 10 CGCDRO CCCO[C@@H]1CCC[N@H+](Cc2ccc(N)cc2)CC1 ZINC001335286398 936137453 /nfs/dbraw/zinc/13/74/53/936137453.db2.gz YPBRHRUUHHXLQV-MRXNPFEDSA-N 1 0 262.397 3.050 20 10 CGCDRO CC[C@](C)([NH2+]Cc1ccc(N)cc1)c1nccs1 ZINC001336286560 936186066 /nfs/dbraw/zinc/18/60/66/936186066.db2.gz SIZBLQUOKKLUMT-AWEZNQCLSA-N 1 0 261.394 3.140 20 10 CGCDRO CC[NH+](CC)CCC[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001473912708 937829366 /nfs/dbraw/zinc/82/93/66/937829366.db2.gz UOYXYKKWWXGRKI-UHFFFAOYSA-N 1 0 288.794 3.006 20 10 CGCDRO C[C@@H]([NH2+]Cc1c(O)cccc1Br)c1ccc[nH]1 ZINC001474100220 937840168 /nfs/dbraw/zinc/84/01/68/937840168.db2.gz VDOXEKFRLQCNRT-SECBINFHSA-N 1 0 295.180 3.334 20 10 CGCDRO CCn1ccc(C[N@H+](C)Cc2c(C)cc(OC)cc2O)c1 ZINC001474443285 937859849 /nfs/dbraw/zinc/85/98/49/937859849.db2.gz XSXGIEQACYGYJK-UHFFFAOYSA-N 1 0 288.391 3.163 20 10 CGCDRO CC[C@@]1(C)C[N@H+](Cc2ccc(N(C)C)cc2C)CCO1 ZINC001474448884 937860375 /nfs/dbraw/zinc/86/03/75/937860375.db2.gz NMEKDOMLRSLLOT-KRWDZBQOSA-N 1 0 276.424 3.062 20 10 CGCDRO COCC1=CC[N@H+](Cc2cc(C(C)C)ccc2O)CC1 ZINC001474466917 937861607 /nfs/dbraw/zinc/86/16/07/937861607.db2.gz OCMHMICBSALOER-UHFFFAOYSA-N 1 0 275.392 3.294 20 10 CGCDRO CCO[C@@H]1CCC[C@H]([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC001474608554 937870106 /nfs/dbraw/zinc/87/01/06/937870106.db2.gz GOGXXOKETDCGOJ-UONOGXRCSA-N 1 0 283.799 3.483 20 10 CGCDRO Cn1c(-c2ccccc2)cnc1SC[C@@H]1CCC[N@@H+]1C ZINC001559341967 938225433 /nfs/dbraw/zinc/22/54/33/938225433.db2.gz JNSIROLEMQZRET-AWEZNQCLSA-N 1 0 287.432 3.273 20 10 CGCDRO C[C@@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1ccccc1O ZINC001560075077 938243026 /nfs/dbraw/zinc/24/30/26/938243026.db2.gz QSXLTRACJKLOQQ-SNVBAGLBSA-N 1 0 290.294 3.290 20 10 CGCDRO COc1ccc(C[NH2+]CCc2ccc(Cl)nc2)cc1C ZINC001560371727 938255703 /nfs/dbraw/zinc/25/57/03/938255703.db2.gz GEOMEHAOIKZBQV-UHFFFAOYSA-N 1 0 290.794 3.384 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCN(C)c3ccccc3C2)c1O ZINC001560688527 938270431 /nfs/dbraw/zinc/27/04/31/938270431.db2.gz KDDAJNWKNXBKEI-UHFFFAOYSA-N 1 0 296.414 3.407 20 10 CGCDRO Oc1cc(Cl)ccc1CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001560695765 938270811 /nfs/dbraw/zinc/27/08/11/938270811.db2.gz SZGRLKPUGUUWNY-OAHLLOKOSA-N 1 0 294.826 3.106 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+]CC[C@H]2CCOC2)c1 ZINC001560706467 938271328 /nfs/dbraw/zinc/27/13/28/938271328.db2.gz KPVVMPYJIRAJEC-ZDUSSCGKSA-N 1 0 263.381 3.032 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+]CC[C@@H]2CCOC2)c1 ZINC001560706466 938271354 /nfs/dbraw/zinc/27/13/54/938271354.db2.gz KPVVMPYJIRAJEC-CYBMUJFWSA-N 1 0 263.381 3.032 20 10 CGCDRO Cc1cc(Br)cc(C[NH2+]CC(C)(C)F)c1O ZINC001560962017 938286602 /nfs/dbraw/zinc/28/66/02/938286602.db2.gz QXHIVFYSKXUXCS-UHFFFAOYSA-N 1 0 290.176 3.301 20 10 CGCDRO C[C@@H]([NH2+]CCCc1ccccn1)c1ccc(N(C)C)cc1 ZINC000181492215 957825895 /nfs/dbraw/zinc/82/58/95/957825895.db2.gz KFOFDFUCWZDJQR-OAHLLOKOSA-N 1 0 283.419 3.431 20 10 CGCDRO C[C@@H]([NH2+]Cc1cccc2n[nH]cc21)c1ccccc1O ZINC001461727568 960501820 /nfs/dbraw/zinc/50/18/20/960501820.db2.gz CSXHKBYGTQJUOZ-LLVKDONJSA-N 1 0 267.332 3.119 20 10 CGCDRO COc1cccc(CN2CCCc3cc(C[NH3+])ccc32)c1C ZINC001579278099 962623529 /nfs/dbraw/zinc/62/35/29/962623529.db2.gz WVOMRIQIHMIPLA-UHFFFAOYSA-N 1 0 296.414 3.415 20 10 CGCDRO C[C@@H]1CC[C@H]([N@H+](C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC000092874799 345860743 /nfs/dbraw/zinc/86/07/43/345860743.db2.gz URMXDUFBTRNPFG-QAPCUYQASA-N 1 0 288.435 3.144 20 10 CGCDRO COc1ccsc1C[N@H+](C)Cc1ccccc1O ZINC000091956615 345826437 /nfs/dbraw/zinc/82/64/37/345826437.db2.gz HIMAMCNLHMFQRM-UHFFFAOYSA-N 1 0 263.362 3.094 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000092072383 345830185 /nfs/dbraw/zinc/83/01/85/345830185.db2.gz BMKSKCIMTDKTEQ-NSHDSACASA-N 1 0 291.782 3.148 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)[C@@H]2CCOC2)cc1F ZINC000266139881 346408186 /nfs/dbraw/zinc/40/81/86/346408186.db2.gz GRCFFPOKSYRIEI-DZGCQCFKSA-N 1 0 294.414 3.187 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CCc2cccc(F)c2C1 ZINC000271347340 346411514 /nfs/dbraw/zinc/41/15/14/346411514.db2.gz KNLNMPNTBVQXDR-UHFFFAOYSA-N 1 0 257.308 3.090 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2CCC[C@@](CO)(C(C)C)C2)cc1C ZINC000293985997 346431955 /nfs/dbraw/zinc/43/19/55/346431955.db2.gz LIPQXFNDFCCRHO-GOSISDBHSA-N 1 0 291.435 3.240 20 10 CGCDRO C[C@@H]([NH2+]C1CCOCC1)c1ccc2ccccc2c1O ZINC000036319436 369017527 /nfs/dbraw/zinc/01/75/27/369017527.db2.gz JWKXGSKXKIOWIB-GFCCVEGCSA-N 1 0 271.360 3.375 20 10 CGCDRO Cc1ccc(O)c(C[NH+]2CCC(OC(C)(C)C)CC2)c1 ZINC000092454334 370097830 /nfs/dbraw/zinc/09/78/30/370097830.db2.gz IWIHGXJKLXGOJM-UHFFFAOYSA-N 1 0 277.408 3.480 20 10 CGCDRO CCOC[C@H]1CCC[N@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000113922578 370487564 /nfs/dbraw/zinc/48/75/64/370487564.db2.gz MIOJTKCAMIEBKK-HNNXBMFYSA-N 1 0 277.408 3.258 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@]2(C)CCCS2)c1 ZINC000133938061 371290194 /nfs/dbraw/zinc/29/01/94/371290194.db2.gz DVAHRCSOMCDXAY-IAQYHMDHSA-N 1 0 281.421 3.337 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1CCCSC1)c1ccc(F)c(F)c1[O-] ZINC000286859630 371564047 /nfs/dbraw/zinc/56/40/47/371564047.db2.gz AZLOZXLYDIJFEW-ZJUUUORDSA-N 1 0 287.375 3.464 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1CCCSC1)c1ccc(F)c(F)c1[O-] ZINC000286859622 371564372 /nfs/dbraw/zinc/56/43/72/371564372.db2.gz AZLOZXLYDIJFEW-NXEZZACHSA-N 1 0 287.375 3.464 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1CCCSC1)c1cc(F)ccc1O ZINC000286896004 371569347 /nfs/dbraw/zinc/56/93/47/371569347.db2.gz DHPVMYNJUSQUEP-QWRGUYRKSA-N 1 0 269.385 3.325 20 10 CGCDRO C[C@H](CCOCc1ccccc1)[NH2+]Cc1ccccc1O ZINC000288461063 371739186 /nfs/dbraw/zinc/73/91/86/371739186.db2.gz NYIKXEPKWBVPDZ-OAHLLOKOSA-N 1 0 285.387 3.477 20 10 CGCDRO COc1cccc(C[NH2+][C@H]2c3ccccc3O[C@H]2C)c1O ZINC000288699247 371743673 /nfs/dbraw/zinc/74/36/73/371743673.db2.gz YKCJSOKRBMNQFY-MEDUHNTESA-N 1 0 285.343 3.013 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2COc3ccccc32)cc1 ZINC000288656714 371744003 /nfs/dbraw/zinc/74/40/03/371744003.db2.gz VNQBVDYHZQDXOM-OAHLLOKOSA-N 1 0 282.387 3.018 20 10 CGCDRO COc1cccc(C[N@@H+]2CCC=C(c3ccncc3)C2)c1O ZINC000289195631 371752115 /nfs/dbraw/zinc/75/21/15/371752115.db2.gz BBAZXZCQOKPXLE-UHFFFAOYSA-N 1 0 296.370 3.085 20 10 CGCDRO COc1cccc(C[NH2+][C@H]2CS[C@H](C(C)(C)C)C2)c1O ZINC000289176452 371752339 /nfs/dbraw/zinc/75/23/39/371752339.db2.gz ABTXBLSIJCEYRE-OCCSQVGLSA-N 1 0 295.448 3.411 20 10 CGCDRO CCc1nc(C)c(C[NH2+][C@H](C)c2ccccc2O)o1 ZINC000292021950 372180340 /nfs/dbraw/zinc/18/03/40/372180340.db2.gz ZXTNVBDIVONLOI-SNVBAGLBSA-N 1 0 260.337 3.102 20 10 CGCDRO CO[C@@](C)(C[NH2+][C@H](C)c1ccc(C)cc1O)C1CC1 ZINC000291296524 372156930 /nfs/dbraw/zinc/15/69/30/372156930.db2.gz SCMXZQVMFXGOCE-WBMJQRKESA-N 1 0 263.381 3.166 20 10 CGCDRO CCc1nc(C)c(C[NH2+]Cc2c(O)cccc2Cl)o1 ZINC000291752806 372174339 /nfs/dbraw/zinc/17/43/39/372174339.db2.gz LTTGJJQLVPLGFF-UHFFFAOYSA-N 1 0 280.755 3.194 20 10 CGCDRO CO[C@H](C[NH2+][C@@H](C)c1c(C)cc(C)cc1O)C1CC1 ZINC000293713151 372459618 /nfs/dbraw/zinc/45/96/18/372459618.db2.gz MXHPQUGDIRKMCH-SWLSCSKDSA-N 1 0 263.381 3.085 20 10 CGCDRO COC1(CC[NH2+][C@@H](C)c2ccc(C)cc2O)CCC1 ZINC000293748774 372467809 /nfs/dbraw/zinc/46/78/09/372467809.db2.gz QBZGBXONIKWHBB-ZDUSSCGKSA-N 1 0 263.381 3.310 20 10 CGCDRO CC1(C)C[N@H+](Cc2ccccc2O)[C@@H]1c1ccncc1 ZINC000293970638 372541055 /nfs/dbraw/zinc/54/10/55/372541055.db2.gz QOPNTDLXYQHIJN-MRXNPFEDSA-N 1 0 268.360 3.370 20 10 CGCDRO C[C@H](CCO)[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000293864308 372505780 /nfs/dbraw/zinc/50/57/80/372505780.db2.gz UQVJSKJZTVGULB-CRAIPNDOSA-N 1 0 299.414 3.427 20 10 CGCDRO CC[C@H](CCO)C[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000294772223 372669639 /nfs/dbraw/zinc/66/96/39/372669639.db2.gz NFVNTTKVLPLYFF-ZIAGYGMSSA-N 1 0 265.397 3.068 20 10 CGCDRO CS[C@H]1CC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000295099674 372692129 /nfs/dbraw/zinc/69/21/29/372692129.db2.gz SOBGAQAXVFWGLN-ZDUSSCGKSA-N 1 0 273.401 3.483 20 10 CGCDRO COc1cccc(C[NH2+]C2CCC(CSC)CC2)c1O ZINC000295948585 372970358 /nfs/dbraw/zinc/97/03/58/372970358.db2.gz GWGVMDHRZGLQKN-UHFFFAOYSA-N 1 0 295.448 3.412 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCc2cccc(O)c21)c1ccccn1 ZINC000296167707 373043011 /nfs/dbraw/zinc/04/30/11/373043011.db2.gz XOZSGMZODJSWRW-FZMZJTMJSA-N 1 0 254.333 3.125 20 10 CGCDRO Cc1nc(CC[NH2+][C@@H]2CCc3cccc(O)c32)sc1C ZINC000297128989 373257022 /nfs/dbraw/zinc/25/70/22/373257022.db2.gz YVLDRBWDSODAND-CYBMUJFWSA-N 1 0 288.416 3.285 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@H]1COc3ccccc31)CC2 ZINC000297319129 373265713 /nfs/dbraw/zinc/26/57/13/373265713.db2.gz NFJKYUHFYCSUMF-ZFWWWQNUSA-N 1 0 281.355 3.145 20 10 CGCDRO CCCC[C@H](COC)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297818103 373281014 /nfs/dbraw/zinc/28/10/14/373281014.db2.gz RFUFQKQKPYBMIN-KGLIPLIRSA-N 1 0 263.381 3.174 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H]2C2CCC2)c1 ZINC000179954508 373946632 /nfs/dbraw/zinc/94/66/32/373946632.db2.gz KIPXGHWYXXFGMT-OAHLLOKOSA-N 1 0 261.365 3.165 20 10 CGCDRO C[C@@H]([NH2+]CCOc1ncccc1Cl)c1ccccc1O ZINC000183617866 374434778 /nfs/dbraw/zinc/43/47/78/374434778.db2.gz KLIVLBBCPVNFOJ-LLVKDONJSA-N 1 0 292.766 3.170 20 10 CGCDRO C[C@H]([NH2+]CCN1CCc2ccccc2C1)c1ccccc1O ZINC000183396990 374410359 /nfs/dbraw/zinc/41/03/59/374410359.db2.gz PEETVYWEQMMDNX-HNNXBMFYSA-N 1 0 296.414 3.101 20 10 CGCDRO CO[C@H](C[NH2+][C@@H](C)c1ccccc1O)c1ccccc1 ZINC000183436926 374414214 /nfs/dbraw/zinc/41/42/14/374414214.db2.gz HHBWDECAXOPTAO-SUMWQHHRSA-N 1 0 271.360 3.431 20 10 CGCDRO C[C@H]([NH2+]C[C@](C)(O)c1cccs1)c1ccccc1O ZINC000183524348 374425231 /nfs/dbraw/zinc/42/52/31/374425231.db2.gz DBBBKHXHJZEVHS-NHYWBVRUSA-N 1 0 277.389 3.012 20 10 CGCDRO C[C@H]([NH2+]CC1CCOCC1)c1cc2c(cc1O)CCCC2 ZINC000185261428 374623589 /nfs/dbraw/zinc/62/35/89/374623589.db2.gz JCWPDFSTKQKCAO-ZDUSSCGKSA-N 1 0 289.419 3.348 20 10 CGCDRO COC[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1ccc(C)o1 ZINC000185631120 374702048 /nfs/dbraw/zinc/70/20/48/374702048.db2.gz QLLCSAQJHHLRHF-SMDDNHRTSA-N 1 0 293.338 3.471 20 10 CGCDRO COC[C@H]([NH2+][C@H](C)c1cc(F)ccc1O)c1ccc(C)o1 ZINC000185631177 374702307 /nfs/dbraw/zinc/70/23/07/374702307.db2.gz QLLCSAQJHHLRHF-RISCZKNCSA-N 1 0 293.338 3.471 20 10 CGCDRO COCCC1(C[NH2+][C@@H](C)c2cc(C)ccc2O)CC1 ZINC000186133946 374802224 /nfs/dbraw/zinc/80/22/24/374802224.db2.gz XTHXCLFRZPNDDH-ZDUSSCGKSA-N 1 0 263.381 3.168 20 10 CGCDRO C[C@@H]([NH2+]C[C@](C)(O)C1CCCCC1)c1ccccc1O ZINC000188670941 375250917 /nfs/dbraw/zinc/25/09/17/375250917.db2.gz RJXDUZLIPFLWND-DYVFJYSZSA-N 1 0 277.408 3.374 20 10 CGCDRO COc1ccc(F)cc1C[NH2+]Cc1cc(C)c(C)cc1O ZINC000189206985 375340677 /nfs/dbraw/zinc/34/06/77/375340677.db2.gz CJFDOJWEHRAKAE-UHFFFAOYSA-N 1 0 289.350 3.447 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](C)OC)cc1 ZINC000191650466 375647709 /nfs/dbraw/zinc/64/77/09/375647709.db2.gz QBNXVYPZNNQJTN-MELADBBJSA-N 1 0 264.413 3.217 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]CC=C(C)C)c1O ZINC000191615216 375643756 /nfs/dbraw/zinc/64/37/56/375643756.db2.gz FZZFGGBQKCYQLI-UHFFFAOYSA-N 1 0 255.745 3.110 20 10 CGCDRO C[C@H]([NH2+]CCCCCO)c1cc2c(cc1O)CCCC2 ZINC000192927570 375803835 /nfs/dbraw/zinc/80/38/35/375803835.db2.gz WQGLNKSSMZYLSD-ZDUSSCGKSA-N 1 0 277.408 3.084 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)C2CC(F)(F)C2)c1 ZINC000529568774 375928415 /nfs/dbraw/zinc/92/84/15/375928415.db2.gz GQGKHNANIXCWIX-ZJUUUORDSA-N 1 0 285.334 3.485 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCCc3cn[nH]c32)cc1 ZINC000268832806 378125659 /nfs/dbraw/zinc/12/56/59/378125659.db2.gz KXKBWTKZXDBWAH-KRWDZBQOSA-N 1 0 298.434 3.423 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](C)C[C@@H](C)O)c1ccc(N(C)C)cc1 ZINC000269067432 378183177 /nfs/dbraw/zinc/18/31/77/378183177.db2.gz VYSVFNTVAIIIER-VBQJREDUSA-N 1 0 278.440 3.200 20 10 CGCDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC000269795163 378267847 /nfs/dbraw/zinc/26/78/47/378267847.db2.gz BFMBOQOFVDHSKY-ZFWWWQNUSA-N 1 0 285.387 3.281 20 10 CGCDRO C[N@H+](Cc1cc(-c2ccccc2)ccc1O)[C@H]1CCOC1 ZINC000271158064 378464791 /nfs/dbraw/zinc/46/47/91/378464791.db2.gz ISBXVZRUENDPKT-KRWDZBQOSA-N 1 0 283.371 3.280 20 10 CGCDRO CCOc1cccc(C[N@H+](C)CCCOC(C)C)c1O ZINC000271186680 378476858 /nfs/dbraw/zinc/47/68/58/378476858.db2.gz JTRZAKHKASWHCM-UHFFFAOYSA-N 1 0 281.396 3.038 20 10 CGCDRO CC[C@H]([NH2+]Cc1csc(COC)n1)c1ccccc1O ZINC000271663553 378501479 /nfs/dbraw/zinc/50/14/79/378501479.db2.gz DTQSENYMAFANRD-ZDUSSCGKSA-N 1 0 292.404 3.236 20 10 CGCDRO Cc1cccc(C[NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)c1O ZINC000271799959 378503980 /nfs/dbraw/zinc/50/39/80/378503980.db2.gz IPFMWEJRZXNVOZ-GJZGRUSLSA-N 1 0 277.408 3.384 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+][C@@H]2CCO[C@@H](C)C2)c1O ZINC000271828038 378510485 /nfs/dbraw/zinc/51/04/85/378510485.db2.gz OIHULQMHYOWYAI-GXFFZTMASA-N 1 0 269.772 3.011 20 10 CGCDRO CN(C)c1ccc(C[N@H+](CCCn2ccnc2)C2CC2)cc1 ZINC000271885489 378510676 /nfs/dbraw/zinc/51/06/76/378510676.db2.gz CXPIXQAFXDPQPV-UHFFFAOYSA-N 1 0 298.434 3.004 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CC1(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000272105422 378563622 /nfs/dbraw/zinc/56/36/22/378563622.db2.gz XSWBRQMNBDQXON-BLLLJJGKSA-N 1 0 292.398 3.111 20 10 CGCDRO CC(C)[C@H]1C[C@H]([NH2+][C@@H](C)c2cc(F)ccc2O)CCO1 ZINC000273354384 378741616 /nfs/dbraw/zinc/74/16/16/378741616.db2.gz CHIVCOPXFDRKBH-NORZTCDRSA-N 1 0 281.371 3.386 20 10 CGCDRO C[C@@H]([NH2+]CC[C@@H]1CCO[C@H](C)C1)c1cc(F)ccc1O ZINC000273445479 378745458 /nfs/dbraw/zinc/74/54/58/378745458.db2.gz NSWIOJQARMSHBA-JHJVBQTASA-N 1 0 281.371 3.387 20 10 CGCDRO Cc1n[nH]cc1CCC[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000273405891 378746713 /nfs/dbraw/zinc/74/67/13/378746713.db2.gz OJXSBHWHMSRDMA-CQSZACIVSA-N 1 0 287.407 3.324 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)COCC(F)(F)F)c1 ZINC000273466232 378747791 /nfs/dbraw/zinc/74/77/91/378747791.db2.gz DWGWHYAKMWWWGS-MNOVXSKESA-N 1 0 291.313 3.319 20 10 CGCDRO CS[C@@H](C)C[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000273511631 378750473 /nfs/dbraw/zinc/75/04/73/378750473.db2.gz RUTOCSIFQVKVRK-JQWIXIFHSA-N 1 0 253.411 3.411 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](CO)c2ccccc2)c(O)c1C ZINC000273587891 378753988 /nfs/dbraw/zinc/75/39/88/378753988.db2.gz OHIHEGUITUSGQC-PBHICJAKSA-N 1 0 285.387 3.393 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)Cc2ccccc2)c(O)c1C ZINC000273584508 378754086 /nfs/dbraw/zinc/75/40/86/378754086.db2.gz NLXSRKKMGMNIJI-RDJZCZTQSA-N 1 0 299.414 3.263 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](CO)c2ccccc2)c(O)c1C ZINC000273570610 378754633 /nfs/dbraw/zinc/75/46/33/378754633.db2.gz KNAGGRLDEJGHNS-NVXWUHKLSA-N 1 0 299.414 3.436 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCNc2ccccn2)c(O)c1C ZINC000273604619 378756607 /nfs/dbraw/zinc/75/66/07/378756607.db2.gz SVBKDONNQYPHMA-AWEZNQCLSA-N 1 0 285.391 3.167 20 10 CGCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H]2C2CC2)c1O ZINC000371859770 379179518 /nfs/dbraw/zinc/17/95/18/379179518.db2.gz YDPQFDSTXWYCDH-OAHLLOKOSA-N 1 0 277.339 3.108 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCc2cccnc2)c(O)c1 ZINC000284209950 380137439 /nfs/dbraw/zinc/13/74/39/380137439.db2.gz SQRFTOMTXRDJTD-AWEZNQCLSA-N 1 0 270.376 3.297 20 10 CGCDRO CC[C@H]([NH2+]CCC1(O)CCC1)c1ccc(N(C)C)cc1 ZINC000284368500 380138729 /nfs/dbraw/zinc/13/87/29/380138729.db2.gz NNHMSVZIHGLNEP-INIZCTEOSA-N 1 0 276.424 3.098 20 10 CGCDRO CC[C@H]([NH2+]CCC1(O)CCC1)c1ccc(C)cc1O ZINC000284328807 380138988 /nfs/dbraw/zinc/13/89/88/380138988.db2.gz KPOXKSQRRBYSQE-AWEZNQCLSA-N 1 0 263.381 3.046 20 10 CGCDRO CCC(O)(CC)C[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000283958952 380109994 /nfs/dbraw/zinc/10/99/94/380109994.db2.gz GATKTYMPFBJKJI-ZDUSSCGKSA-N 1 0 265.397 3.211 20 10 CGCDRO C[C@H]([NH2+]C[C@]1(C)CCO[C@@H]1C1CC1)c1cc(F)ccc1O ZINC000364151704 382263030 /nfs/dbraw/zinc/26/30/30/382263030.db2.gz UWIZLNMWVAEMGE-JECHBYEQSA-N 1 0 293.382 3.387 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CC(C)(C)C[C@@H](C)O)c(O)c1 ZINC000186075553 262311561 /nfs/dbraw/zinc/31/15/61/262311561.db2.gz WAZYQPSXIDJIJM-OLZOCXBDSA-N 1 0 265.397 3.148 20 10 CGCDRO Oc1cccc2c1CC[C@H]2[NH2+]Cc1ccc2c(c1)CCO2 ZINC000105486441 392290586 /nfs/dbraw/zinc/29/05/86/392290586.db2.gz UARQMQJICQDYSO-MRXNPFEDSA-N 1 0 281.355 3.104 20 10 CGCDRO CCc1ccc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)o1 ZINC000131629396 392459186 /nfs/dbraw/zinc/45/91/86/392459186.db2.gz QMNXZCGOTYNHGP-UHFFFAOYSA-N 1 0 276.355 3.337 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1cccnc1 ZINC000296210967 392555960 /nfs/dbraw/zinc/55/59/60/392555960.db2.gz ZHRGUQSTGROXCI-SMDDNHRTSA-N 1 0 254.333 3.125 20 10 CGCDRO COCc1ccccc1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296155100 285502297 /nfs/dbraw/zinc/50/22/97/285502297.db2.gz WXFWYGPWVKBFNZ-INIZCTEOSA-N 1 0 283.371 3.316 20 10 CGCDRO COc1cccc(C[NH2+][C@@H](C)CCC(C)C)c1O ZINC000020122910 171003238 /nfs/dbraw/zinc/00/32/38/171003238.db2.gz ZJAGVZRRMMJQDR-LBPRGKRZSA-N 1 0 251.370 3.315 20 10 CGCDRO Cc1ccsc1C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000020146014 171031864 /nfs/dbraw/zinc/03/18/64/171031864.db2.gz CGXSSQOQCKUCIE-UHFFFAOYSA-N 1 0 260.406 3.412 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](C(C)C)N2CCCC2)c(O)c1 ZINC000020201012 171064573 /nfs/dbraw/zinc/06/45/73/171064573.db2.gz BZZNWYGUNNAAHT-DOTOQJQBSA-N 1 0 290.451 3.472 20 10 CGCDRO CCC(CC)[C@H](C[NH2+][C@H](C)c1ccccc1O)N(C)C ZINC000020202047 171066014 /nfs/dbraw/zinc/06/60/14/171066014.db2.gz SHFBIMDPLUOHPR-CJNGLKHVSA-N 1 0 278.440 3.409 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CCc2cccc(F)c2)cc1 ZINC000035137804 172005666 /nfs/dbraw/zinc/00/56/66/172005666.db2.gz XLNGRIWVWOJEID-UHFFFAOYSA-N 1 0 272.367 3.224 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C2CCN(C(C)C)CC2)c1 ZINC000035628921 172308234 /nfs/dbraw/zinc/30/82/34/172308234.db2.gz FQRGYQGTOVFQBS-CQSZACIVSA-N 1 0 276.424 3.224 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](C)N2CCCCC2)c1 ZINC000038028880 174018889 /nfs/dbraw/zinc/01/88/89/174018889.db2.gz NQFSYHYIZSSUHH-LSDHHAIUSA-N 1 0 276.424 3.226 20 10 CGCDRO Cc1c([C@H](C)[NH2+][C@@H](C)c2cc(C)ccc2O)cnn1C ZINC000037167914 260073146 /nfs/dbraw/zinc/07/31/46/260073146.db2.gz IREGAHXGUKRDMV-RYUDHWBXSA-N 1 0 273.380 3.154 20 10 CGCDRO CC[C@H]([NH2+]C[C@](C)(O)c1cccs1)c1ccccc1O ZINC000155958262 261110529 /nfs/dbraw/zinc/11/05/29/261110529.db2.gz KLIXLXIYKRXFBA-BBRMVZONSA-N 1 0 291.416 3.402 20 10 CGCDRO CC[C@@H]([NH2+][C@H]1CCCC[C@@H]1OC)c1ccccc1O ZINC000156058095 261113228 /nfs/dbraw/zinc/11/32/28/261113228.db2.gz NBLYQJJSUAIGST-YCPHGPKFSA-N 1 0 263.381 3.391 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H](OC)C(C)(C)C)c1ccccc1O ZINC000156152948 261115423 /nfs/dbraw/zinc/11/54/23/261115423.db2.gz JTHXJZXDRLMVII-HIFRSBDPSA-N 1 0 265.397 3.494 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCO[C@H](C2CC2)C1)c1ccccc1O ZINC000157891906 261154443 /nfs/dbraw/zinc/15/44/43/261154443.db2.gz WXAGJGFVKDYSNM-GHJWDPDVSA-N 1 0 261.365 3.000 20 10 CGCDRO COc1cc(O)c(C[N@H+]([C@H](C)C2CC2)C2CC2)cc1OC ZINC000159792781 261194013 /nfs/dbraw/zinc/19/40/13/261194013.db2.gz ZOOXLNFFIHNCRO-LLVKDONJSA-N 1 0 291.391 3.172 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@H]2CCOC(C)(C)C2)c(O)c1 ZINC000160481276 261215014 /nfs/dbraw/zinc/21/50/14/261215014.db2.gz PQEODPHNHNCYPK-AWEZNQCLSA-N 1 0 293.407 3.228 20 10 CGCDRO CCOc1ccc(O)c(C[N@H+](C)Cc2ccco2)c1 ZINC000162176801 261272926 /nfs/dbraw/zinc/27/29/26/261272926.db2.gz YGYIRFKOHHRFGA-UHFFFAOYSA-N 1 0 261.321 3.016 20 10 CGCDRO CCSCC[C@H](C)[NH2+]Cc1cccc(C)c1O ZINC000164728310 261358636 /nfs/dbraw/zinc/35/86/36/261358636.db2.gz UCASDEWRQCTLNQ-LBPRGKRZSA-N 1 0 253.411 3.322 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@](C)(O)c2cccs2)cc1C ZINC000174421773 261571057 /nfs/dbraw/zinc/57/10/57/261571057.db2.gz KJDQCJHBVONCRV-MRXNPFEDSA-N 1 0 291.416 3.068 20 10 CGCDRO COCC[N@H+](Cc1ccc(C)o1)Cc1cccc(C)c1O ZINC000180498273 261862791 /nfs/dbraw/zinc/86/27/91/261862791.db2.gz NWDKRUNJLKEULS-UHFFFAOYSA-N 1 0 289.375 3.251 20 10 CGCDRO Cc1noc(C)c1C[C@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000183522087 261978654 /nfs/dbraw/zinc/97/86/54/261978654.db2.gz OBYMUQNQBOMJQN-WDEREUQCSA-N 1 0 274.364 3.279 20 10 CGCDRO C[C@@H]([NH2+]C[C@](C)(O)c1ccsc1)c1ccccc1O ZINC000183526796 261979004 /nfs/dbraw/zinc/97/90/04/261979004.db2.gz VZELVGOSOPTCKP-ABAIWWIYSA-N 1 0 277.389 3.012 20 10 CGCDRO Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000185350017 262051789 /nfs/dbraw/zinc/05/17/89/262051789.db2.gz PKQCMQRFTPMMJD-NWDGAFQWSA-N 1 0 273.380 3.154 20 10 CGCDRO CCC[C@H](CCO)C[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000185605340 262061635 /nfs/dbraw/zinc/06/16/35/262061635.db2.gz LSZWNNAUARPJBX-NWDGAFQWSA-N 1 0 285.815 3.495 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2c3ccccc3C[C@@H]2O)c1 ZINC000185674329 262065924 /nfs/dbraw/zinc/06/59/24/262065924.db2.gz INYOIWVPNVTLCK-UUWFMWQGSA-N 1 0 283.371 3.010 20 10 CGCDRO CSC1(C[NH2+][C@@H](C)c2ccc(C)cc2O)CCOCC1 ZINC000186081215 262078221 /nfs/dbraw/zinc/07/82/21/262078221.db2.gz HKFMFIPCUILTTD-ZDUSSCGKSA-N 1 0 295.448 3.263 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2cc(C)cc(Cl)n2)c1 ZINC000281970589 263073369 /nfs/dbraw/zinc/07/33/69/263073369.db2.gz JZIZKBRSHDIGIS-UHFFFAOYSA-N 1 0 276.767 3.347 20 10 CGCDRO Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2ccccc2O)n1 ZINC000367541887 267098609 /nfs/dbraw/zinc/09/86/09/267098609.db2.gz LJGQBAQRKYWNPG-INIZCTEOSA-N 1 0 297.402 3.172 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000375320199 267847707 /nfs/dbraw/zinc/84/77/07/267847707.db2.gz MUHUCIPWNLEIET-DZGCQCFKSA-N 1 0 281.783 3.189 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC23CCOCC3)cc1 ZINC000375734164 267894953 /nfs/dbraw/zinc/89/49/53/267894953.db2.gz VUWLAEQBNMTPMH-UHFFFAOYSA-N 1 0 288.435 3.288 20 10 CGCDRO C[C@@]1(C[NH2+][C@H]2CCc3cccc(O)c32)CCCS1 ZINC000297583817 278124199 /nfs/dbraw/zinc/12/41/99/278124199.db2.gz HHDMGNBOLUXTNV-WFASDCNBSA-N 1 0 263.406 3.255 20 10 CGCDRO C[C@@H]([NH2+]Cc1ncccc1N(C)C)c1ccc(N(C)C)cc1 ZINC000289574656 278360102 /nfs/dbraw/zinc/36/01/02/278360102.db2.gz BDRFLNZZAKKZTQ-CQSZACIVSA-N 1 0 298.434 3.064 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CCc2cccc(O)c21)c1ccccn1 ZINC000296170328 278387304 /nfs/dbraw/zinc/38/73/04/278387304.db2.gz XOZSGMZODJSWRW-RISCZKNCSA-N 1 0 254.333 3.125 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCc2ccccc2O)c1 ZINC000185302830 327838076 /nfs/dbraw/zinc/83/80/76/327838076.db2.gz FGMJMRCAJANRQZ-CYBMUJFWSA-N 1 0 271.360 3.300 20 10 CGCDRO CC[C@](C)(O)C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000185389599 327839484 /nfs/dbraw/zinc/83/94/84/327839484.db2.gz PNGYWYZTYCWGPI-SJCJKPOMSA-N 1 0 277.408 3.083 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc(CO)c2)c(O)c1 ZINC000185373381 327915385 /nfs/dbraw/zinc/91/53/85/327915385.db2.gz VGPCEPMACFPDDO-ZDUSSCGKSA-N 1 0 271.360 3.044 20 10 CGCDRO C[C@H](CSC(C)(C)C)[NH2+]Cc1ccccc1O ZINC000268845782 328186580 /nfs/dbraw/zinc/18/65/80/328186580.db2.gz PPWAAFGEMWOLGY-LLVKDONJSA-N 1 0 253.411 3.402 20 10 CGCDRO C[C@H]([NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)c1ccccc1O ZINC000378641628 329057761 /nfs/dbraw/zinc/05/77/61/329057761.db2.gz ZAZDTXHYDRXYMP-ZCDTZLGTSA-N 1 0 275.392 3.246 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CN(C)Cc2ccccc21)c1ccccc1O ZINC000360000146 329069598 /nfs/dbraw/zinc/06/95/98/329069598.db2.gz QPOGQESGMWWKLL-CXAGYDPISA-N 1 0 282.387 3.230 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H]2c2cccc(C)n2)c1 ZINC000180277891 329219440 /nfs/dbraw/zinc/21/94/40/329219440.db2.gz LZHVSMJVZBGJGH-KRWDZBQOSA-N 1 0 298.386 3.441 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]CC[C@@H]1CCCCO1 ZINC000227338550 329272275 /nfs/dbraw/zinc/27/22/75/329272275.db2.gz SZGMVGXBAKSMRL-NSHDSACASA-N 1 0 269.772 3.094 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3ccccn3)C2)c(O)c1 ZINC000186171919 329339081 /nfs/dbraw/zinc/33/90/81/329339081.db2.gz CABKQQRUNCRVGG-CABCVRRESA-N 1 0 297.402 3.025 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@@H]1C[C@H]1C1CC1 ZINC000527651011 330272138 /nfs/dbraw/zinc/27/21/38/330272138.db2.gz DEDCLAJSVBMXKW-UVBJJODRSA-N 1 0 257.377 3.146 20 10 CGCDRO COc1ccc(C[NH2+]Cc2ccc3cn(C)nc3c2)cc1C ZINC000527760911 330281340 /nfs/dbraw/zinc/28/13/40/330281340.db2.gz DQRLSXKFEUNLEF-UHFFFAOYSA-N 1 0 295.386 3.180 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCCOC2)c(O)c1C ZINC000527931305 330297437 /nfs/dbraw/zinc/29/74/37/330297437.db2.gz RPEFFDXQGVZZLR-CABCVRRESA-N 1 0 277.408 3.476 20 10 CGCDRO CCC[C@H](C[NH2+][C@@H]1CCc2cccc(O)c21)OCC ZINC000527933720 330297616 /nfs/dbraw/zinc/29/76/16/330297616.db2.gz RXOIEPKEOOIBNY-ZIAGYGMSSA-N 1 0 263.381 3.174 20 10 CGCDRO CCO[C@@]1(C)C[C@H]1[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000527976861 330302147 /nfs/dbraw/zinc/30/21/47/330302147.db2.gz GRAUQMNWXNSYNK-BJJXKVORSA-N 1 0 263.381 3.227 20 10 CGCDRO CSCCCCCC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000230149540 333314824 /nfs/dbraw/zinc/31/48/24/333314824.db2.gz TWZYSJFLZSBJTO-UHFFFAOYSA-N 1 0 297.420 3.134 20 10 CGCDRO CC[C@H](C)[C@@H](O)C[NH2+][C@@H](CC)c1ccc(C)cc1O ZINC000280101667 521878869 /nfs/dbraw/zinc/87/88/69/521878869.db2.gz NETAJAUPFJMQQJ-NOLJZWGESA-N 1 0 265.397 3.148 20 10 CGCDRO CC[C@H]([NH2+]CCC[C@@H](C)CO)c1ccc(C)cc1O ZINC000280272647 522587330 /nfs/dbraw/zinc/58/73/30/522587330.db2.gz YASGBMVCGFYXES-HIFRSBDPSA-N 1 0 265.397 3.150 20 10 CGCDRO CC(C)(C)[NH+]1CCC(NCc2c(O)cccc2Cl)CC1 ZINC000083552013 518707699 /nfs/dbraw/zinc/70/76/99/518707699.db2.gz ZDNRTTCJYNIIBV-UHFFFAOYSA-N 1 0 296.842 3.398 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CCO[C@@H](C(C)(C)C)C2)c1O ZINC000280454389 521340886 /nfs/dbraw/zinc/34/08/86/521340886.db2.gz LOEDBUWLIRJWTA-OAHLLOKOSA-N 1 0 293.407 3.038 20 10 CGCDRO CCOC1CC2(C1)CC[N@H+](Cc1cc(C)ccc1O)C2 ZINC000289623709 521653658 /nfs/dbraw/zinc/65/36/58/521653658.db2.gz LQXOLXSDKCABHI-UHFFFAOYSA-N 1 0 275.392 3.092 20 10 CGCDRO CC[C@H]([NH2+]C[C@H](O)c1ccc(C)o1)c1ccc(C)cc1O ZINC000279974132 522628950 /nfs/dbraw/zinc/62/89/50/522628950.db2.gz DFKJVAIZZWPYQI-HOCLYGCPSA-N 1 0 289.375 3.376 20 10 CGCDRO CC[C@H]([NH2+]C[C@H]1CCOC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000286934792 522631478 /nfs/dbraw/zinc/63/14/78/522631478.db2.gz AWUWNGDWCROHCF-LESCRADOSA-N 1 0 290.451 3.466 20 10 CGCDRO CC[C@H]([NH2+]Cc1cnc(C)s1)c1ccccc1O ZINC000040997459 522664871 /nfs/dbraw/zinc/66/48/71/522664871.db2.gz SVOJLPVNJGTSER-ZDUSSCGKSA-N 1 0 262.378 3.398 20 10 CGCDRO CC[C@H]([NH2+][C@H](CO)Cc1ccccc1)c1ccc(C)cc1O ZINC000280075699 522746990 /nfs/dbraw/zinc/74/69/90/522746990.db2.gz LJTPCVVHBPOZQN-WMZOPIPTSA-N 1 0 299.414 3.345 20 10 CGCDRO COCC(C)(C)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000293747736 522812797 /nfs/dbraw/zinc/81/27/97/522812797.db2.gz RBWIWOZGCBURCK-ZDUSSCGKSA-N 1 0 264.413 3.076 20 10 CGCDRO CC[C@@H]([NH2+]CCCC(C)(C)CO)c1ccccc1O ZINC000155997441 522822802 /nfs/dbraw/zinc/82/28/02/522822802.db2.gz VRXUXFFPFXLRMD-CQSZACIVSA-N 1 0 265.397 3.232 20 10 CGCDRO CC[C@@H]([NH2+]CCCc1nc(C)no1)c1ccc(C)cc1O ZINC000279949954 522830662 /nfs/dbraw/zinc/83/06/62/522830662.db2.gz BRSPEAMFAJSKQV-CQSZACIVSA-N 1 0 289.379 3.066 20 10 CGCDRO CC[C@@H]([NH2+]CCCn1ccnc1)c1ccc(C)cc1O ZINC000280106477 522833960 /nfs/dbraw/zinc/83/39/60/522833960.db2.gz NLRSPZIMOVXIDA-OAHLLOKOSA-N 1 0 273.380 3.028 20 10 CGCDRO CC[C@@H]([NH2+]CCNc1ccccn1)c1ccc(C)cc1O ZINC000280014847 522837485 /nfs/dbraw/zinc/83/74/85/522837485.db2.gz GZANEYFIPXZEII-OAHLLOKOSA-N 1 0 285.391 3.248 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2O)cc1 ZINC000094616633 524074391 /nfs/dbraw/zinc/07/43/91/524074391.db2.gz PRAUZTIGCIWXMG-NSHDSACASA-N 1 0 275.323 3.391 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)CCC1(F)F ZINC000289759933 524996930 /nfs/dbraw/zinc/99/69/30/524996930.db2.gz KPPXRVPJLPIUEG-GFCCVEGCSA-N 1 0 268.351 3.230 20 10 CGCDRO C[C@]1(CCCO)CCC[N@@H+]1Cc1c(O)cccc1Cl ZINC000290540266 525241456 /nfs/dbraw/zinc/24/14/56/525241456.db2.gz RGLGWBRKJACPNU-OAHLLOKOSA-N 1 0 283.799 3.173 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@]2(C)CCCO)cc1C ZINC000290546825 525313642 /nfs/dbraw/zinc/31/36/42/525313642.db2.gz RNLMGWQYLXVYJR-QGZVFWFLSA-N 1 0 277.408 3.136 20 10 CGCDRO C[C@H]([NH2+]CC1(N(C)C)CCC1)c1cc(Cl)ccc1O ZINC000275673633 525320661 /nfs/dbraw/zinc/32/06/61/525320661.db2.gz HLTWVOWVCBDYTE-NSHDSACASA-N 1 0 282.815 3.181 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]C[C@H](O)c2ccc(Cl)cc2)c1 ZINC000292598443 525349345 /nfs/dbraw/zinc/34/93/45/525349345.db2.gz HDAVNGNRSYUIRM-INIZCTEOSA-N 1 0 291.778 3.177 20 10 CGCDRO COc1cccc(C[NH+]2CCC(c3ccncc3)CC2)c1O ZINC000289773346 525935553 /nfs/dbraw/zinc/93/55/53/525935553.db2.gz KRCJMQIWJMGFBB-UHFFFAOYSA-N 1 0 298.386 3.175 20 10 CGCDRO Oc1ccc(Br)cc1C[NH2+][C@H]1CC=CCC1 ZINC000076771119 526343412 /nfs/dbraw/zinc/34/34/12/526343412.db2.gz LCOJGDXLYFRLFS-LBPRGKRZSA-N 1 0 282.181 3.353 20 10 CGCDRO Oc1ccccc1C[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000276950103 526374019 /nfs/dbraw/zinc/37/40/19/526374019.db2.gz JHUNCCJREJHLNP-UHFFFAOYSA-N 1 0 283.371 3.471 20 10 CGCDRO COc1cccc(C[NH2+]C2(c3ccc(F)cc3)CC2)c1O ZINC000729685848 571929462 /nfs/dbraw/zinc/92/94/62/571929462.db2.gz RTFQDKSPFRCKKT-UHFFFAOYSA-N 1 0 287.334 3.319 20 10 CGCDRO COC[C@H]1CC[N@H+](Cc2cc(C(C)C)c(C)cc2O)C1 ZINC000739874432 572425876 /nfs/dbraw/zinc/42/58/76/572425876.db2.gz WUAULPCBDIDSNK-AWEZNQCLSA-N 1 0 277.408 3.292 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](CO)[C@H](C)c2ccccc2)cc1C ZINC000734846367 572686873 /nfs/dbraw/zinc/68/68/73/572686873.db2.gz SWJZCDZYAFZVSV-QAPCUYQASA-N 1 0 299.414 3.258 20 10 CGCDRO CCOc1ccc(C[NH2+][C@H]2C[C@@](C)(OC)C2(C)C)c(O)c1 ZINC000744448479 572754108 /nfs/dbraw/zinc/75/41/08/572754108.db2.gz JZVPEKIOLDFNGW-DOTOQJQBSA-N 1 0 293.407 3.084 20 10 CGCDRO CO[C@@]1(C)C[C@@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)C1(C)C ZINC000744448707 572754191 /nfs/dbraw/zinc/75/41/91/572754191.db2.gz MXNPXGDZBDZVLQ-WBVHZDCISA-N 1 0 294.414 3.185 20 10 CGCDRO C[N@H+](CCC1CC1)Cc1c(O)ccc2ccncc21 ZINC000746626175 572886278 /nfs/dbraw/zinc/88/62/78/572886278.db2.gz BJXVSFXXZQTCLV-UHFFFAOYSA-N 1 0 256.349 3.172 20 10 CGCDRO C[C@@H](C[NH2+]Cc1cc(Cl)ccc1O)c1ccncc1 ZINC000749297262 572991794 /nfs/dbraw/zinc/99/17/94/572991794.db2.gz SXWTVGGIEWBDHS-NSHDSACASA-N 1 0 276.767 3.334 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)[C@H]2CCCOC2)cc1 ZINC000750791322 573180358 /nfs/dbraw/zinc/18/03/58/573180358.db2.gz NUMOFKWTWJJDEE-KRWDZBQOSA-N 1 0 276.424 3.144 20 10 CGCDRO COc1ccc(C[NH2+]CCc2ccsc2)cc1C ZINC000042249038 620713771 /nfs/dbraw/zinc/71/37/71/620713771.db2.gz JKPYTNIEJNZNIB-UHFFFAOYSA-N 1 0 261.390 3.397 20 10 CGCDRO COc1cc(O)c(C[NH+](CC2CC2)CC2CC2)cc1OC ZINC000160205999 617616606 /nfs/dbraw/zinc/61/66/06/617616606.db2.gz OLRCBWBOMOGBTQ-UHFFFAOYSA-N 1 0 291.391 3.031 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCc3ccccc3C2)c1 ZINC000071409115 617962934 /nfs/dbraw/zinc/96/29/34/617962934.db2.gz IJIYXMIKHOYCRU-QGZVFWFLSA-N 1 0 267.372 3.348 20 10 CGCDRO CCOc1cccc(C[NH2+]C[C@@H](C)C(C)C)c1O ZINC000077897095 618218249 /nfs/dbraw/zinc/21/82/49/618218249.db2.gz KJGRVDRZRFGDGK-GFCCVEGCSA-N 1 0 251.370 3.173 20 10 CGCDRO COc1ccc(C[N@H+](C)[C@@H]2CCC[C@H](C)C2)c(O)c1OC ZINC000891601401 618241097 /nfs/dbraw/zinc/24/10/97/618241097.db2.gz HIWDBYOAAYPQLG-GXTWGEPZSA-N 1 0 293.407 3.420 20 10 CGCDRO CC[N@H+](Cc1ccc(OC)c(OC)c1O)[C@H](C)C(C)C ZINC000891823131 618321154 /nfs/dbraw/zinc/32/11/54/618321154.db2.gz KMYNPAMRDARQSS-GFCCVEGCSA-N 1 0 281.396 3.276 20 10 CGCDRO CCC[N@H+](Cc1ccc(OC)o1)Cc1ccccc1O ZINC000891853183 618342277 /nfs/dbraw/zinc/34/22/77/618342277.db2.gz DPCCTQUZRQXLHH-UHFFFAOYSA-N 1 0 275.348 3.406 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@H](C)O[C@@H]2C)c(O)c1C ZINC000840871900 618733564 /nfs/dbraw/zinc/73/35/64/618733564.db2.gz HQISXMDMGSRLHC-MHEUCROKSA-N 1 0 277.408 3.473 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCc2ccccn2)c(Cl)c1 ZINC000840872463 618735739 /nfs/dbraw/zinc/73/57/39/618735739.db2.gz LESXXLZPEHCBGM-UHFFFAOYSA-N 1 0 276.767 3.081 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccnc2N(C)C)c(O)c1 ZINC000185015709 625292228 /nfs/dbraw/zinc/29/22/28/625292228.db2.gz PIWBUZZZMACBIT-CYBMUJFWSA-N 1 0 285.391 3.012 20 10 CGCDRO Cc1cc(N(C)C)ccc1CNc1cc(N(C)C)cc[nH+]1 ZINC000840878225 618780511 /nfs/dbraw/zinc/78/05/11/618780511.db2.gz CCVVLSWPJDNDGN-UHFFFAOYSA-N 1 0 284.407 3.134 20 10 CGCDRO CCS[C@@H]1CC[C@H]([N@H+](C)Cc2ccccc2O)C1 ZINC000179584698 618796275 /nfs/dbraw/zinc/79/62/75/618796275.db2.gz NHUOJDGWVPCWOP-UONOGXRCSA-N 1 0 265.422 3.498 20 10 CGCDRO COC1([C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2O)CCC1 ZINC000840884357 618871520 /nfs/dbraw/zinc/87/15/20/618871520.db2.gz LCVWXZVVHZWAPB-GHMZBOCLSA-N 1 0 267.344 3.140 20 10 CGCDRO COC[C@@H]([NH2+][C@@H](C)Cc1ccc(N(C)C)cc1C)C1CC1 ZINC000840892548 618925454 /nfs/dbraw/zinc/92/54/54/618925454.db2.gz ATDHRMNILGYCJI-KBXCAEBGSA-N 1 0 290.451 3.007 20 10 CGCDRO CC[C@@H](COC)[NH2+][C@H](C)Cc1ccc(N(C)C)cc1C ZINC000840893566 618937678 /nfs/dbraw/zinc/93/76/78/618937678.db2.gz LMWRNKVRKPUNEY-ZBFHGGJFSA-N 1 0 278.440 3.007 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2O)nc1C ZINC000314230272 618962959 /nfs/dbraw/zinc/96/29/59/618962959.db2.gz WBHLRXQHMLYVEH-LBPRGKRZSA-N 1 0 274.339 3.394 20 10 CGCDRO CC[C@H](C)C[C@H](C)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000893087441 618991538 /nfs/dbraw/zinc/99/15/38/618991538.db2.gz WBXZKNMFNDVLQU-RYUDHWBXSA-N 1 0 281.396 3.324 20 10 CGCDRO CC[C@@H]([NH2+]CC1(OC)CCCC1)c1ccccc1O ZINC000312095902 619024245 /nfs/dbraw/zinc/02/42/45/619024245.db2.gz RNQLOBPCNIDBCJ-CQSZACIVSA-N 1 0 263.381 3.392 20 10 CGCDRO CCOC(=O)C[C@](C)([NH2+]Cc1cc(C)ccc1O)C(C)C ZINC000185232927 619059137 /nfs/dbraw/zinc/05/91/37/619059137.db2.gz ZQNLNUISGZWAGG-KRWDZBQOSA-N 1 0 293.407 3.158 20 10 CGCDRO CC[C@@H](C[C@@H](C)CO)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000776219528 619117438 /nfs/dbraw/zinc/11/74/38/619117438.db2.gz OTFPZABMZRKCNA-SKDRFNHKSA-N 1 0 289.778 3.071 20 10 CGCDRO CC[C@@H](C[C@@H](C)CO)[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000776220684 619117558 /nfs/dbraw/zinc/11/75/58/619117558.db2.gz YRTLAMYAPHXNGH-YGRLFVJLSA-N 1 0 285.815 3.241 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000840912099 619123551 /nfs/dbraw/zinc/12/35/51/619123551.db2.gz GUFBDLUQGQJJIE-UHFFFAOYSA-N 1 0 298.434 3.164 20 10 CGCDRO Cc1ccncc1C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000162710891 619134157 /nfs/dbraw/zinc/13/41/57/619134157.db2.gz YLHXSAKJOIZUMM-NSHDSACASA-N 1 0 260.312 3.086 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H]2CCC(C)(C)C2)c1O ZINC000162722302 619139071 /nfs/dbraw/zinc/13/90/71/619139071.db2.gz HPJWKEOZYFWURT-CYBMUJFWSA-N 1 0 263.381 3.459 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCN(C2CC2)C1)c1ccc2ccccc2c1O ZINC000314594795 619165856 /nfs/dbraw/zinc/16/58/56/619165856.db2.gz CBUHYUXOJBHHIQ-ZFWWWQNUSA-N 1 0 296.414 3.433 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]C[C@H]1CCCOC1 ZINC000840975704 619307219 /nfs/dbraw/zinc/30/72/19/619307219.db2.gz KNRCGDPQJNCSOX-JKSUJKDBSA-N 1 0 290.451 3.008 20 10 CGCDRO C[C@@H]([NH2+]C[C@H](O)C1CCCCC1)c1ccc(N(C)C)cc1 ZINC000163104389 619309506 /nfs/dbraw/zinc/30/95/06/619309506.db2.gz SRUHJXOOLBJRDJ-KDOFPFPSSA-N 1 0 290.451 3.344 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@@H]2CCCc3occc32)c1O ZINC000894172672 619404567 /nfs/dbraw/zinc/40/45/67/619404567.db2.gz JFZBFPGWKYVLGO-CQSZACIVSA-N 1 0 287.359 3.469 20 10 CGCDRO COc1ccc(C[N@H+](C)[C@H]2CCCC[C@H]2C)c(O)c1OC ZINC000894314599 619487190 /nfs/dbraw/zinc/48/71/90/619487190.db2.gz AFQOHJSUBCPKJJ-OCCSQVGLSA-N 1 0 293.407 3.420 20 10 CGCDRO CCCSC[C@@H](C)[NH2+]Cc1cccc(OC)c1O ZINC000894457453 619544152 /nfs/dbraw/zinc/54/41/52/619544152.db2.gz BCRQLAJSWKEVBQ-LLVKDONJSA-N 1 0 269.410 3.022 20 10 CGCDRO CCOc1ccc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)o1 ZINC000894501612 619558259 /nfs/dbraw/zinc/55/82/59/619558259.db2.gz BXVPLZNDNNEXCB-NSHDSACASA-N 1 0 291.347 3.243 20 10 CGCDRO Cc1nc(C)c(CC[NH2+][C@H](C)c2cc(F)ccc2O)s1 ZINC000185403294 625356813 /nfs/dbraw/zinc/35/68/13/625356813.db2.gz MLDVDYOSRAZURC-SECBINFHSA-N 1 0 294.395 3.498 20 10 CGCDRO Cc1ccc(CC[NH2+][C@H](C)c2cc(F)ccc2O)cn1 ZINC000185422367 625357188 /nfs/dbraw/zinc/35/71/88/625357188.db2.gz QDKZSCZQNKBQRU-GFCCVEGCSA-N 1 0 274.339 3.128 20 10 CGCDRO CCN1CCCC[C@@H]1C[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000185418142 625357216 /nfs/dbraw/zinc/35/72/16/625357216.db2.gz PTSKSGUZFRNUJB-LSDHHAIUSA-N 1 0 276.424 3.226 20 10 CGCDRO CCOC[C@H]1CCCC[N@@H+]1Cc1cc(C)cc(OC)c1O ZINC000894984165 619692521 /nfs/dbraw/zinc/69/25/21/619692521.db2.gz ISCCHTRFHFWZFA-OAHLLOKOSA-N 1 0 293.407 3.100 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@](C)(O)c2ccsc2)c(O)c1 ZINC000185529431 625368259 /nfs/dbraw/zinc/36/82/59/625368259.db2.gz KGAMUYXZTGUOOT-LRDDRELGSA-N 1 0 291.416 3.320 20 10 CGCDRO [O-]c1c(F)cc(F)cc1C[NH+]1CCC(c2ccon2)CC1 ZINC000895335354 619806798 /nfs/dbraw/zinc/80/67/98/619806798.db2.gz MVIRLXYQYAEAJR-UHFFFAOYSA-N 1 0 294.301 3.038 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1C[C@@]1(C)Br)c1ccccc1O ZINC000895850968 619897360 /nfs/dbraw/zinc/89/73/60/619897360.db2.gz HKPUAPHKKVTDJQ-GIPNMCIBSA-N 1 0 284.197 3.216 20 10 CGCDRO CCC1(CC)CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000147855072 619961505 /nfs/dbraw/zinc/96/15/05/619961505.db2.gz OGIKQWRVPCXOCH-UHFFFAOYSA-N 1 0 277.364 3.133 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H](c2ccccn2)C2CC2)c1O ZINC000896613300 620035543 /nfs/dbraw/zinc/03/55/43/620035543.db2.gz SOJSJQCSZROVJZ-MRXNPFEDSA-N 1 0 268.360 3.337 20 10 CGCDRO CC(C)=CC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000072952784 625391850 /nfs/dbraw/zinc/39/18/50/625391850.db2.gz IBJKOMVWYPJVQN-INIZCTEOSA-N 1 0 275.392 3.339 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]Cc1ccc2c(c1)C[C@H](C)O2 ZINC000896829181 620072602 /nfs/dbraw/zinc/07/26/02/620072602.db2.gz PKOAFYPPRUNXIU-ZDUSSCGKSA-N 1 0 283.371 3.314 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]C[C@H]1CCCC2(CCC2)O1 ZINC000896918964 620101306 /nfs/dbraw/zinc/10/13/06/620101306.db2.gz SYWRNPAOZWLOGM-CQSZACIVSA-N 1 0 275.392 3.282 20 10 CGCDRO Cc1ccc(C[NH2+]C[C@H]2CC(C)(C)OC2(C)C)c(O)c1 ZINC000897225516 620164980 /nfs/dbraw/zinc/16/49/80/620164980.db2.gz OXSIACXLWJJYTD-CQSZACIVSA-N 1 0 277.408 3.384 20 10 CGCDRO CN(C)C1(C[NH2+]Cc2cc(Cl)ccc2O)CCCCC1 ZINC000021806527 620214922 /nfs/dbraw/zinc/21/49/22/620214922.db2.gz LICGJSDWDFMMGB-UHFFFAOYSA-N 1 0 296.842 3.400 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H](C)[C@@H](c2ccccc2)N(C)C)c1 ZINC000185678681 625412417 /nfs/dbraw/zinc/41/24/17/625412417.db2.gz SYHHNADRVRNTHE-BEFAXECRSA-N 1 0 298.430 3.482 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H](C)[C@H](c2ccccc2)N(C)C)c1 ZINC000185678719 625412850 /nfs/dbraw/zinc/41/28/50/625412850.db2.gz SYHHNADRVRNTHE-DNVCBOLYSA-N 1 0 298.430 3.482 20 10 CGCDRO CC(C)(C[NH2+]Cc1cc(F)ccc1O)C1CCOCC1 ZINC000897449591 620339424 /nfs/dbraw/zinc/33/94/24/620339424.db2.gz AUFYCGUDKSDJLO-UHFFFAOYSA-N 1 0 281.371 3.074 20 10 CGCDRO COCc1cccc(C[N@H+](C)Cc2ccccc2O)c1 ZINC000179236475 620373823 /nfs/dbraw/zinc/37/38/23/620373823.db2.gz PLXNZEDIOVOZMT-UHFFFAOYSA-N 1 0 271.360 3.171 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000897746294 620429047 /nfs/dbraw/zinc/42/90/47/620429047.db2.gz DMNMOBKZUTZJAO-YHWZYXNKSA-N 1 0 263.406 3.217 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H](C)Cc2cccnc2)cc1C ZINC000897969255 620459364 /nfs/dbraw/zinc/45/93/64/620459364.db2.gz HUCCWWODXNUPNS-CQSZACIVSA-N 1 0 270.376 3.125 20 10 CGCDRO COc1cccc(C[NH2+][C@H](c2ccncc2)C2CC2)c1O ZINC000898324177 620506098 /nfs/dbraw/zinc/50/60/98/620506098.db2.gz DCBYXORXNYACGS-INIZCTEOSA-N 1 0 284.359 3.037 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H](c2ccncc2)C2CC2)c(O)c1 ZINC000898317527 620511312 /nfs/dbraw/zinc/51/13/12/620511312.db2.gz IVDOYROWAXICCR-QGZVFWFLSA-N 1 0 268.360 3.337 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2C[C@@H](C)OC[C@H]2C)cc1C(C)C ZINC000249049610 620535449 /nfs/dbraw/zinc/53/54/49/620535449.db2.gz IOTYHAKAFMYRJL-ZIAGYGMSSA-N 1 0 277.408 3.433 20 10 CGCDRO Cc1cc(N(C)C)ccc1CNc1ccc(C[NH3+])cc1 ZINC000841060378 620549034 /nfs/dbraw/zinc/54/90/34/620549034.db2.gz XLRGAUVVMJHZSS-UHFFFAOYSA-N 1 0 269.392 3.132 20 10 CGCDRO C[C@H]([NH2+]Cc1cccc2c1OCC2)c1cc(F)ccc1O ZINC000927092165 620574025 /nfs/dbraw/zinc/57/40/25/620574025.db2.gz YXMYSFPHMWTYHQ-NSHDSACASA-N 1 0 287.334 3.317 20 10 CGCDRO COc1ccc(C[NH2+]CCOC2CCSCC2)cc1C ZINC000898442748 620588675 /nfs/dbraw/zinc/58/86/75/620588675.db2.gz RBXXYCUAWFJXOX-UHFFFAOYSA-N 1 0 295.448 3.005 20 10 CGCDRO Oc1ccc(F)cc1C[N@@H+]1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000898515899 620595380 /nfs/dbraw/zinc/59/53/80/620595380.db2.gz HKEQCUOIBPCOSM-KGLIPLIRSA-N 1 0 293.382 3.170 20 10 CGCDRO COCc1ccccc1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921503103 625456573 /nfs/dbraw/zinc/45/65/73/625456573.db2.gz QZRDOYKAOLTVFP-UHFFFAOYSA-N 1 0 297.398 3.448 20 10 CGCDRO C[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000902486616 621354234 /nfs/dbraw/zinc/35/42/34/621354234.db2.gz RCFNBWKWFJKPAL-IWSPIJDZSA-N 1 0 289.206 3.087 20 10 CGCDRO C[C@]12CSC[C@H]1C[N@H+](Cc1cc3c(cc1O)CCC3)C2 ZINC000902674298 621394637 /nfs/dbraw/zinc/39/46/37/621394637.db2.gz QHWRFARJGCXCEN-WBVHZDCISA-N 1 0 289.444 3.066 20 10 CGCDRO Oc1ccccc1C[NH2+][C@@H]1CCC[C@@H](C2CCOCC2)C1 ZINC000902787043 621445382 /nfs/dbraw/zinc/44/53/82/621445382.db2.gz VWBDCNYCOOBFPX-NVXWUHKLSA-N 1 0 289.419 3.467 20 10 CGCDRO C[C@@H]([NH2+]CC(C)(C)C1CCOCC1)c1ccccc1O ZINC000903243958 621636324 /nfs/dbraw/zinc/63/63/24/621636324.db2.gz LINOLBJEPFDVOO-CYBMUJFWSA-N 1 0 277.408 3.496 20 10 CGCDRO CC[C@H]([NH2+]C1CC(CCO)C1)c1cc(Cl)ccc1O ZINC000903330580 621705583 /nfs/dbraw/zinc/70/55/83/621705583.db2.gz RUTOPTOJQJBFKY-OVGLSYRBSA-N 1 0 283.799 3.247 20 10 CGCDRO Cc1ncccc1CC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000903415766 621734968 /nfs/dbraw/zinc/73/49/68/621734968.db2.gz LMJNLJIZNZGFCH-OAHLLOKOSA-N 1 0 283.419 3.349 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2COC[C@H]2C2CC2)c(O)c1C ZINC000903437561 621746245 /nfs/dbraw/zinc/74/62/45/621746245.db2.gz PGMOCHBKFOKTKO-RCBQFDQVSA-N 1 0 275.392 3.085 20 10 CGCDRO C[C@H]([NH2+][C@H]1COC[C@H]1C1CC1)c1ccc(Cl)cc1O ZINC000903441238 621750408 /nfs/dbraw/zinc/75/04/08/621750408.db2.gz ZYFBTEJRZZFBJQ-HERUPUMHSA-N 1 0 281.783 3.121 20 10 CGCDRO CC(C)CCC[C@@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000042879491 621888592 /nfs/dbraw/zinc/88/85/92/621888592.db2.gz FEFPZIXONURBBA-GFCCVEGCSA-N 1 0 279.380 3.425 20 10 CGCDRO CCOc1ccc(O)c(C[N@H+](C)[C@H](C)C(C)C)c1 ZINC000768267479 625532740 /nfs/dbraw/zinc/53/27/40/625532740.db2.gz ABIBQLHSOUNXQW-GFCCVEGCSA-N 1 0 251.370 3.267 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2CCC[C@H]2c2ccnn2C)cc1C ZINC000905742618 622103820 /nfs/dbraw/zinc/10/38/20/622103820.db2.gz SKIDQJOQEPTJKJ-INIZCTEOSA-N 1 0 285.391 3.080 20 10 CGCDRO COc1cc(C)ccc1C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000151038100 622722386 /nfs/dbraw/zinc/72/23/86/622722386.db2.gz WECQYLJGQOHXLN-UHFFFAOYSA-N 1 0 284.403 3.359 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)C1CC1 ZINC000323783154 622733134 /nfs/dbraw/zinc/73/31/34/622733134.db2.gz BKELPKVKZMATCN-MRXNPFEDSA-N 1 0 258.409 3.347 20 10 CGCDRO Cc1cc(C)c(O)c(CN2CC[NH+](C3CCCC3)CC2)c1 ZINC000163923769 622806078 /nfs/dbraw/zinc/80/60/78/622806078.db2.gz DZRLWTYWZAJXPF-UHFFFAOYSA-N 1 0 288.435 3.069 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@H+](C[C@H]2CCOC2)C2CC2)c1 ZINC000164046574 622813578 /nfs/dbraw/zinc/81/35/78/622813578.db2.gz SCTLJKDWKYBFBW-CQSZACIVSA-N 1 0 275.392 3.010 20 10 CGCDRO CC[C@@H]([NH2+]CCc1ccc(CO)cc1)c1ccccc1O ZINC000157044170 622861724 /nfs/dbraw/zinc/86/17/24/622861724.db2.gz YBUGVFYNUTUXMH-QGZVFWFLSA-N 1 0 285.387 3.168 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1CCSC1)c1ccc(N(C)C)cc1 ZINC000226387766 622965727 /nfs/dbraw/zinc/96/57/27/622965727.db2.gz NWJBQLXIJWQAQJ-QWHCGFSZSA-N 1 0 264.438 3.156 20 10 CGCDRO COc1ccc2ccc(O)c(C[N@H+](C)C3CC3)c2c1 ZINC000046477753 622974863 /nfs/dbraw/zinc/97/48/63/622974863.db2.gz KZXHYPIQAMCCCT-UHFFFAOYSA-N 1 0 257.333 3.148 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]CCc1cc(F)cc(F)c1 ZINC000226590670 622986225 /nfs/dbraw/zinc/98/62/25/622986225.db2.gz YQMKPMQTYWXQAV-UHFFFAOYSA-N 1 0 281.277 3.142 20 10 CGCDRO C[C@@H](Cc1cccc(F)c1)[NH2+]Cc1ccccc1O ZINC000227529547 623021045 /nfs/dbraw/zinc/02/10/45/623021045.db2.gz WMSJSNDXCNBYSD-LBPRGKRZSA-N 1 0 259.324 3.252 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H](C)Cc2ccc(F)cc2)c1 ZINC000062038057 623194130 /nfs/dbraw/zinc/19/41/30/623194130.db2.gz DKBORDFFRRLJNJ-LBPRGKRZSA-N 1 0 289.350 3.261 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@]2(C)CCO[C@H]2C)cc1 ZINC000230155655 623216643 /nfs/dbraw/zinc/21/66/43/623216643.db2.gz OQAPVMQCKDMGLK-WMLDXEAASA-N 1 0 276.424 3.190 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H]2CN2CCCC2)cc1C ZINC000172484433 623251440 /nfs/dbraw/zinc/25/14/40/623251440.db2.gz QFHLNJDZZVOEEK-KRWDZBQOSA-N 1 0 288.435 3.069 20 10 CGCDRO Oc1ccc(Cl)cc1CN1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000063188263 623304703 /nfs/dbraw/zinc/30/47/03/623304703.db2.gz DVNCOAWPKOPVCQ-LSDHHAIUSA-N 1 0 294.826 3.152 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]Cc1ccc(F)cc1F ZINC000083494242 623424017 /nfs/dbraw/zinc/42/40/17/623424017.db2.gz HLIQRZWXOYKKIJ-UHFFFAOYSA-N 1 0 267.250 3.099 20 10 CGCDRO Cc1ccc(OCC[NH2+]Cc2ccc3c(c2)CCO3)c(C)c1 ZINC000917392817 624264636 /nfs/dbraw/zinc/26/46/36/624264636.db2.gz OUGBBOIBDDWRHQ-UHFFFAOYSA-N 1 0 297.398 3.407 20 10 CGCDRO Cc1ccc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)o1 ZINC000155192931 624452125 /nfs/dbraw/zinc/45/21/25/624452125.db2.gz XOEUCFHOIKMESP-UHFFFAOYSA-N 1 0 258.365 3.286 20 10 CGCDRO CO[C@]1(C)C[C@H]([N@H+](C)Cc2ccccc2O)C1(C)C ZINC000179584890 624665980 /nfs/dbraw/zinc/66/59/80/624665980.db2.gz VYNSKRFNWRMCRQ-GOEBONIOSA-N 1 0 263.381 3.028 20 10 CGCDRO CCC[N@H+](Cc1cn(C)nc1CC)Cc1ccccc1O ZINC000179929411 624699435 /nfs/dbraw/zinc/69/94/35/624699435.db2.gz CFVRFVCVWKZTKH-UHFFFAOYSA-N 1 0 287.407 3.100 20 10 CGCDRO Cc1ncsc1C[N@@H+](C)Cc1cccc(C)c1O ZINC000180038438 624711366 /nfs/dbraw/zinc/71/13/66/624711366.db2.gz JBIUNVZOMOXCCP-UHFFFAOYSA-N 1 0 262.378 3.098 20 10 CGCDRO Cc1csc([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2)n1 ZINC000069168495 624801893 /nfs/dbraw/zinc/80/18/93/624801893.db2.gz CQBCUCYCLVEJIS-GFCCVEGCSA-N 1 0 275.421 3.368 20 10 CGCDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1cc(F)cc(C(C)=O)c1O ZINC000183058928 625044125 /nfs/dbraw/zinc/04/41/25/625044125.db2.gz FKFKXPCTAZEYKL-VHSXEESVSA-N 1 0 267.344 3.258 20 10 CGCDRO Cc1cccc([C@@H](O)C[NH2+][C@@H](C)c2ccccc2O)c1 ZINC000183620260 625097571 /nfs/dbraw/zinc/09/75/71/625097571.db2.gz PQLFLTAZEXCZET-GUYCJALGSA-N 1 0 271.360 3.085 20 10 CGCDRO Cc1ccccc1[C@@H](O)C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921731480 625856380 /nfs/dbraw/zinc/85/63/80/625856380.db2.gz HQXHBNCSEABJIF-SFHVURJKSA-N 1 0 297.398 3.143 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2CCCC[C@@H]2O)cc1 ZINC000085965240 625970756 /nfs/dbraw/zinc/97/07/56/625970756.db2.gz OLUXCOWUVYHWBY-AEFFLSMTSA-N 1 0 290.451 3.174 20 10 CGCDRO COC1([C@@H](C)[NH2+]Cc2ccc3c(c2)CCCO3)CCC1 ZINC000922185310 625981283 /nfs/dbraw/zinc/98/12/83/625981283.db2.gz LAQZXWUFBNZSHQ-CYBMUJFWSA-N 1 0 275.392 3.059 20 10 CGCDRO O[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)c2ccccc21 ZINC000922246509 625989285 /nfs/dbraw/zinc/98/92/85/625989285.db2.gz RAYOQMPAPYPELQ-ROUUACIJSA-N 1 0 295.382 3.280 20 10 CGCDRO C[C@H]([NH2+]Cc1c(Cl)n[nH]c1C1CC1)c1ccccc1O ZINC000922328601 625998106 /nfs/dbraw/zinc/99/81/06/625998106.db2.gz FGFNYXICXDOSMN-VIFPVBQESA-N 1 0 291.782 3.497 20 10 CGCDRO C[C@H]([NH2+]Cc1ccnn1C1CCC1)c1ccccc1O ZINC000922328924 625998339 /nfs/dbraw/zinc/99/83/39/625998339.db2.gz IXTGVRWSTVGQQR-LBPRGKRZSA-N 1 0 271.364 3.165 20 10 CGCDRO CCO[C@H]1CCC[C@H]([NH2+][C@H](C)c2ccccc2O)C1 ZINC000922329664 625998638 /nfs/dbraw/zinc/99/86/38/625998638.db2.gz PBOLQKYRYIWWDM-RDBSUJKOSA-N 1 0 263.381 3.391 20 10 CGCDRO CCO[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2ccccc2O)C1 ZINC000922329658 625998786 /nfs/dbraw/zinc/99/87/86/625998786.db2.gz PBOLQKYRYIWWDM-MELADBBJSA-N 1 0 263.381 3.391 20 10 CGCDRO Cc1cc(CO)cc(C)c1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000922560207 626012366 /nfs/dbraw/zinc/01/23/66/626012366.db2.gz HWSOFMVELUZOKU-UHFFFAOYSA-N 1 0 297.398 3.020 20 10 CGCDRO FC(F)(F)[C@@H]1C[C@H]1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922727925 626038306 /nfs/dbraw/zinc/03/83/06/626038306.db2.gz HUXKIULWFNIZOT-QWHCGFSZSA-N 1 0 285.309 3.300 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2C[C@H]2C(F)(F)F)cc1C ZINC000922730141 626040401 /nfs/dbraw/zinc/04/04/01/626040401.db2.gz BETUBUAMKRYQIH-CMPLNLGQSA-N 1 0 273.298 3.297 20 10 CGCDRO Oc1ccccc1C[NH2+]C[C@@]1(c2ccccc2)CCCO1 ZINC000922962296 626110599 /nfs/dbraw/zinc/11/05/99/626110599.db2.gz QPVVATFDIOKVIC-GOSISDBHSA-N 1 0 283.371 3.188 20 10 CGCDRO Oc1ccccc1C[NH2+]CC[C@H]1OCCc2ccccc21 ZINC000922964879 626111570 /nfs/dbraw/zinc/11/15/70/626111570.db2.gz UWNLIHDSXIEDNA-GOSISDBHSA-N 1 0 283.371 3.186 20 10 CGCDRO CC(C)(C)c1nc(CN2CCCc3cc(C[NH3+])ccc32)co1 ZINC000923285117 626142828 /nfs/dbraw/zinc/14/28/28/626142828.db2.gz ARFABIUKRMPHDH-UHFFFAOYSA-N 1 0 299.418 3.384 20 10 CGCDRO COCC1(C)C[NH+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000839145994 626317110 /nfs/dbraw/zinc/31/71/10/626317110.db2.gz ZPYZZOKXHRNJFM-UHFFFAOYSA-N 1 0 288.435 3.145 20 10 CGCDRO CC(C)O[C@H]1C[C@@H]([NH2+]Cc2c(O)cccc2Cl)C1 ZINC000839148318 626317481 /nfs/dbraw/zinc/31/74/81/626317481.db2.gz YMVSDRCKKPSPHL-PHIMTYICSA-N 1 0 269.772 3.091 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH+]2CC3(CC(F)C3)C2)cc1 ZINC000839139413 626322626 /nfs/dbraw/zinc/32/26/26/626322626.db2.gz GEHYLMFEQWTUOU-ONEGZZNKSA-N 1 0 274.383 3.200 20 10 CGCDRO COCCC1(C)C[NH+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000839142982 626322867 /nfs/dbraw/zinc/32/28/67/626322867.db2.gz MRMHNFNPOHMHGZ-WAYWQWQTSA-N 1 0 288.435 3.124 20 10 CGCDRO Cc1cccc(C[NH2+][C@H](C)Cc2ccsc2)c1O ZINC000124726648 634494163 /nfs/dbraw/zinc/49/41/63/634494163.db2.gz IVEIPQBGTTUFPS-GFCCVEGCSA-N 1 0 261.390 3.483 20 10 CGCDRO COc1cc(O)c(C[NH2+]C2(C3CCC3)CCC2)cc1OC ZINC000839186221 626327362 /nfs/dbraw/zinc/32/73/62/626327362.db2.gz KVRJRXSWVPJNOC-UHFFFAOYSA-N 1 0 291.391 3.222 20 10 CGCDRO Oc1cccc(Cl)c1C[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC000753576827 626456287 /nfs/dbraw/zinc/45/62/87/626456287.db2.gz UDYZKTAEHNHGKL-CYBMUJFWSA-N 1 0 295.810 3.294 20 10 CGCDRO COc1ccc2c(c1)CC[C@@H]([NH2+]Cc1cccc(C)c1O)C2 ZINC000753577208 626456414 /nfs/dbraw/zinc/45/64/14/626456414.db2.gz YQROENSYHZINMD-QGZVFWFLSA-N 1 0 297.398 3.356 20 10 CGCDRO CC[C@H]([NH2+]CC[C@@H]1CCOC1)c1ccc(N(C)C)cc1 ZINC000753760872 626464991 /nfs/dbraw/zinc/46/49/91/626464991.db2.gz LARSHDPTESNUEQ-PBHICJAKSA-N 1 0 276.424 3.220 20 10 CGCDRO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1cc(C)cc(OC)c1O ZINC000754735858 626585338 /nfs/dbraw/zinc/58/53/38/626585338.db2.gz FOSCZYBKXPABHA-GXTWGEPZSA-N 1 0 263.381 3.330 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCOC(C)(C)[C@@H]2C)c1 ZINC000754741764 626585855 /nfs/dbraw/zinc/58/58/55/626585855.db2.gz RTBLJKJOQULQBF-ZDUSSCGKSA-N 1 0 263.381 3.008 20 10 CGCDRO CCOCCC[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756342082 626693847 /nfs/dbraw/zinc/69/38/47/626693847.db2.gz MDXCOGNDRDTJNT-PWSUYJOCSA-N 1 0 267.344 3.096 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCN2Cc3ccccc3C2)c1 ZINC000756477514 626708331 /nfs/dbraw/zinc/70/83/31/626708331.db2.gz AQFBWRIUPOMJNY-HNNXBMFYSA-N 1 0 296.414 3.367 20 10 CGCDRO CCC(O)(CC)C[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756498589 626709858 /nfs/dbraw/zinc/70/98/58/626709858.db2.gz XWHOIBRSMFWZTN-ZYHUDNBSSA-N 1 0 281.371 3.220 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C2CCN(CC(F)F)CC2)c1 ZINC000756503530 626710601 /nfs/dbraw/zinc/71/06/01/626710601.db2.gz OHWBCSHKBJUJEO-GFCCVEGCSA-N 1 0 298.377 3.081 20 10 CGCDRO CCn1nc(C)c(C[NH2+][C@@H](C)c2ccc(C)cc2O)c1C ZINC000756537155 626713119 /nfs/dbraw/zinc/71/31/19/626713119.db2.gz XCQPETWNOHECES-LBPRGKRZSA-N 1 0 287.407 3.385 20 10 CGCDRO COC[C@H]([NH2+][C@H](C)c1ccc(C)c(C)c1O)C(C)C ZINC000756596783 626719034 /nfs/dbraw/zinc/71/90/34/626719034.db2.gz GWLHSQCVFADUEV-HIFRSBDPSA-N 1 0 265.397 3.331 20 10 CGCDRO COC[C@@H]([NH2+][C@H](C)c1cc(Cl)ccc1O)C(C)C ZINC000756599351 626719925 /nfs/dbraw/zinc/71/99/25/626719925.db2.gz ZPLUGISTUAQESV-ZWNOBZJWSA-N 1 0 271.788 3.367 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H](C)C1)c1cc(Cl)ccc1O ZINC000756608882 626720693 /nfs/dbraw/zinc/72/06/93/626720693.db2.gz DYPUQCGZAGXFTL-GMXVVIOVSA-N 1 0 282.815 3.179 20 10 CGCDRO CC[C@H](C[C@@H](C)CO)[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000756627132 626721413 /nfs/dbraw/zinc/72/14/13/626721413.db2.gz QXCJJJOMFLJOLF-KCPJHIHWSA-N 1 0 279.424 3.457 20 10 CGCDRO C[C@H]([NH2+]C1CCC(C)(O)CC1)c1cc(Cl)ccc1O ZINC000756633231 626721808 /nfs/dbraw/zinc/72/18/08/626721808.db2.gz GMTBEUJDXRLRTJ-VLRKGOCCSA-N 1 0 283.799 3.390 20 10 CGCDRO Cc1ccsc1[C@H](CO)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000756735582 626728914 /nfs/dbraw/zinc/72/89/14/626728914.db2.gz FRVUCLQDODGFHR-MFKMUULPSA-N 1 0 295.379 3.285 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2ccc[nH]2)c1 ZINC000756786198 626732003 /nfs/dbraw/zinc/73/20/03/626732003.db2.gz YQIIKZCAJWGFKW-QWRGUYRKSA-N 1 0 260.337 3.141 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H]3COCC[C@H]32)cc1C ZINC000756880026 626739088 /nfs/dbraw/zinc/73/90/88/626739088.db2.gz DXYUYZLPXJVVIZ-GOEBONIOSA-N 1 0 275.392 3.010 20 10 CGCDRO COc1cc(C)nc(C[N@H+](C)Cc2ccc(N(C)C)cc2)c1 ZINC000757086013 626753647 /nfs/dbraw/zinc/75/36/47/626753647.db2.gz DNISNZDLSILUQQ-UHFFFAOYSA-N 1 0 299.418 3.097 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@H]2CC23CCCC3)cc1F ZINC000758527350 626847880 /nfs/dbraw/zinc/84/78/80/626847880.db2.gz WNXXJTFEFSLFRJ-HNNXBMFYSA-N 1 0 262.372 3.314 20 10 CGCDRO COC1(C[C@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)CCC1 ZINC000759989187 626934591 /nfs/dbraw/zinc/93/45/91/626934591.db2.gz QNVIFQUOZQSPBG-ZDUSSCGKSA-N 1 0 294.414 3.329 20 10 CGCDRO COc1cccc(C[N@@H+]2CC[C@H](C)C(C)(C)C2)c1O ZINC000761225006 627026977 /nfs/dbraw/zinc/02/69/77/627026977.db2.gz FCHWAXNZIQDZST-LBPRGKRZSA-N 1 0 263.381 3.269 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H](C)C(C)(C)C1 ZINC000761227079 627027166 /nfs/dbraw/zinc/02/71/66/627027166.db2.gz XLNKLLMBYIXFMX-GFCCVEGCSA-N 1 0 263.381 3.269 20 10 CGCDRO COCC1([NH2+]Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000765260526 627244169 /nfs/dbraw/zinc/24/41/69/627244169.db2.gz HELOALYUPNEBEE-UHFFFAOYSA-N 1 0 283.371 3.328 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H]2CCCCO2)cc1 ZINC000765341953 627246614 /nfs/dbraw/zinc/24/66/14/627246614.db2.gz AQAAOXCAUVHLRH-PBHICJAKSA-N 1 0 276.424 3.362 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2CCN(C3CC3)C2)cc1 ZINC000765780721 627270407 /nfs/dbraw/zinc/27/04/07/627270407.db2.gz KOCGFMSKWSWKQL-ZBFHGGJFSA-N 1 0 287.451 3.030 20 10 CGCDRO CC(C)O[C@@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)cc2)C1(C)C ZINC000765811981 627273136 /nfs/dbraw/zinc/27/31/36/627273136.db2.gz SIKPGHSZPDGUAE-DLBZAZTESA-N 1 0 290.451 3.434 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H](COC)C(C)C)cc1 ZINC000766163490 627299952 /nfs/dbraw/zinc/29/99/52/627299952.db2.gz UUSWCQKIGCMKHN-RHSMWYFYSA-N 1 0 278.440 3.464 20 10 CGCDRO CC[C@H]([NH2+]C[C@H](OC)C(C)C)c1ccc(N(C)C)cc1 ZINC000766366214 627323628 /nfs/dbraw/zinc/32/36/28/627323628.db2.gz MVOAJFCIVWGQEH-IRXDYDNUSA-N 1 0 278.440 3.464 20 10 CGCDRO CCC[C@@H](C)[N@H+](C)Cc1ccc(OCC)cc1O ZINC000768337767 627474307 /nfs/dbraw/zinc/47/43/07/627474307.db2.gz GLXMYEVEVDHLFU-GFCCVEGCSA-N 1 0 251.370 3.411 20 10 CGCDRO CC1(C)C[N@H+](Cc2cc3c(cc2O)CCCC3)CCCO1 ZINC000768449663 627480442 /nfs/dbraw/zinc/48/04/42/627480442.db2.gz XQRZNCSGMGTORG-UHFFFAOYSA-N 1 0 289.419 3.272 20 10 CGCDRO CCC1(O)CC[NH+](Cc2cc3c(cc2O)CCCC3)CC1 ZINC000768466743 627481509 /nfs/dbraw/zinc/48/15/09/627481509.db2.gz VYHVKQPZFNVYOY-UHFFFAOYSA-N 1 0 289.419 3.008 20 10 CGCDRO CCOc1cccc(C[N@H+](CC2CC2)C(C)C)c1O ZINC000768674156 627492413 /nfs/dbraw/zinc/49/24/13/627492413.db2.gz MPLJUNVHLJCEMR-UHFFFAOYSA-N 1 0 263.381 3.411 20 10 CGCDRO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1CCCOCC1 ZINC000768889738 627506510 /nfs/dbraw/zinc/50/65/10/627506510.db2.gz QEPZGYIZWQNATC-UHFFFAOYSA-N 1 0 283.371 3.282 20 10 CGCDRO CCOc1ccc(O)c(C[NH+]2CCC(CC)CC2)c1 ZINC000768930935 627509607 /nfs/dbraw/zinc/50/96/07/627509607.db2.gz IZGXXVNGBHUCRN-UHFFFAOYSA-N 1 0 263.381 3.413 20 10 CGCDRO CC(C)C[C@@H]1COCCN1Cc1cc(Cl)ccc1O ZINC000769398848 627548465 /nfs/dbraw/zinc/54/84/65/627548465.db2.gz KHILEIKWUFEXNW-CQSZACIVSA-N 1 0 283.799 3.293 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CCC3(CCC3)C2)c(O)c1 ZINC000769445966 627552529 /nfs/dbraw/zinc/55/25/29/627552529.db2.gz IZJLONXSEAVITK-UHFFFAOYSA-N 1 0 261.365 3.167 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CC(C)(C)OCC2(C)C)c1 ZINC000769446071 627552604 /nfs/dbraw/zinc/55/26/04/627552604.db2.gz LQQQQTSOUDBPOU-UHFFFAOYSA-N 1 0 293.407 3.180 20 10 CGCDRO CCOc1ccc(C[N@H+](C)Cc2cccc(C)n2)c(O)c1 ZINC000769481619 627558348 /nfs/dbraw/zinc/55/83/48/627558348.db2.gz WSMSDKRYEVYTCY-UHFFFAOYSA-N 1 0 286.375 3.126 20 10 CGCDRO CC1(C)[C@@H]2C[N@@H+](Cc3cc(Br)ccc3O)C[C@@H]21 ZINC000769487194 627559385 /nfs/dbraw/zinc/55/93/85/627559385.db2.gz JPIAVQITDWNADW-TXEJJXNPSA-N 1 0 296.208 3.243 20 10 CGCDRO Oc1ccc(Br)cc1C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000769513817 627561550 /nfs/dbraw/zinc/56/15/50/627561550.db2.gz FEWSROMDVADLMR-LLVKDONJSA-N 1 0 296.208 3.387 20 10 CGCDRO CC[C@H]([NH2+]Cc1cnn(CC)c1)c1ccc(N(C)C)cc1 ZINC000772997689 627839234 /nfs/dbraw/zinc/83/92/34/627839234.db2.gz ILMOYHHIWBRLQQ-KRWDZBQOSA-N 1 0 286.423 3.210 20 10 CGCDRO COCC1(C)CC[NH+](Cc2cc(C)cc(C)c2O)CC1 ZINC000773267244 627870293 /nfs/dbraw/zinc/87/02/93/627870293.db2.gz INIPLVIYNNOASU-UHFFFAOYSA-N 1 0 277.408 3.258 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCCCN2C2CC2)c1 ZINC000774379179 627984096 /nfs/dbraw/zinc/98/40/96/627984096.db2.gz NZJRWOSZEJOENO-GOEBONIOSA-N 1 0 288.435 3.368 20 10 CGCDRO COC1(C)CC[NH+](Cc2cc(C)cc(C)c2O)CC1 ZINC000774640034 628011149 /nfs/dbraw/zinc/01/11/49/628011149.db2.gz PCFWEXWKPLFHLP-UHFFFAOYSA-N 1 0 263.381 3.010 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CC2(Cl)Cl)c1 ZINC000775370465 628086271 /nfs/dbraw/zinc/08/62/71/628086271.db2.gz NITZKNFISJUOHC-RKDXNWHRSA-N 1 0 290.190 3.245 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccn(C(C)C)n1)c1ccccc1O ZINC000775413895 628092312 /nfs/dbraw/zinc/09/23/12/628092312.db2.gz JSUMCHAZEMPEKL-OAHLLOKOSA-N 1 0 273.380 3.411 20 10 CGCDRO CC[C@H]([NH2+]Cc1cn2ccccc2n1)c1ccccc1O ZINC000775413163 628092765 /nfs/dbraw/zinc/09/27/65/628092765.db2.gz XYCQXWJKZOWGOT-HNNXBMFYSA-N 1 0 281.359 3.281 20 10 CGCDRO CC[C@H]([NH2+][C@H](CCO)C(C)C)c1cc(Cl)ccc1O ZINC000775507769 628101933 /nfs/dbraw/zinc/10/19/33/628101933.db2.gz DYHOQSPDPOGVAW-UONOGXRCSA-N 1 0 285.815 3.493 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](C)CCO)c1cc(Cl)ccc1O ZINC000775514323 628102592 /nfs/dbraw/zinc/10/25/92/628102592.db2.gz ZACPOGKAOZSIGX-GWCFXTLKSA-N 1 0 271.788 3.105 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H](O)C(C)C)c1cc(Cl)ccc1O ZINC000775508820 628102856 /nfs/dbraw/zinc/10/28/56/628102856.db2.gz XNBIZSLCAKAWIW-TZMCWYRMSA-N 1 0 271.788 3.103 20 10 CGCDRO CC[C@H](CCO)[NH2+][C@H](CC)c1cc(Cl)ccc1O ZINC000775509995 628102872 /nfs/dbraw/zinc/10/28/72/628102872.db2.gz UEZGGIYEPZRUJM-DGCLKSJQSA-N 1 0 271.788 3.247 20 10 CGCDRO CC[C@H]([NH2+]CCC(C)(C)O)c1cc(Cl)ccc1O ZINC000775586599 628111558 /nfs/dbraw/zinc/11/15/58/628111558.db2.gz TTZYZUTWEKCNES-LBPRGKRZSA-N 1 0 271.788 3.247 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CCc3cccc(F)c3C2)c1 ZINC000775701256 628127274 /nfs/dbraw/zinc/12/72/74/628127274.db2.gz PULDDVUQOMYGQU-UHFFFAOYSA-N 1 0 287.334 3.098 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCC[C@@H]2C(=O)OC(C)(C)C)c1O ZINC000775724152 628129233 /nfs/dbraw/zinc/12/92/33/628129233.db2.gz KCPINZHHISDRCD-CQSZACIVSA-N 1 0 291.391 3.007 20 10 CGCDRO Cc1cccc(C[NH2+][C@H](c2cnn(C)c2)C(C)(C)C)c1O ZINC000776231105 628183128 /nfs/dbraw/zinc/18/31/28/628183128.db2.gz LNBQWRQQZXKPEC-MRXNPFEDSA-N 1 0 287.407 3.311 20 10 CGCDRO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]Cc2cc(Cl)ccc2O)C1(C)C ZINC000776499723 628214998 /nfs/dbraw/zinc/21/49/98/628214998.db2.gz XTWTUODQZFGSAX-CUOATXAZSA-N 1 0 283.799 3.195 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCOC2CCC2)cc1 ZINC000777119431 628250256 /nfs/dbraw/zinc/25/02/56/628250256.db2.gz NRVCYMOAHKNPHL-CQSZACIVSA-N 1 0 276.424 3.362 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCO[C@H](C3CC3)C2)cc1 ZINC000777222415 628256806 /nfs/dbraw/zinc/25/68/06/628256806.db2.gz SCQICZZHITVPEK-SFHVURJKSA-N 1 0 288.435 3.144 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C2(CO)CCCC2)cc1F ZINC000777486481 628275334 /nfs/dbraw/zinc/27/53/34/628275334.db2.gz MBXNTIXNHXURNG-UHFFFAOYSA-N 1 0 294.414 3.067 20 10 CGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@H]1CCO[C@@H](C)C1 ZINC000779002056 628382888 /nfs/dbraw/zinc/38/28/88/628382888.db2.gz JQILVDSTYLZBBT-GJZGRUSLSA-N 1 0 277.408 3.419 20 10 CGCDRO CO[C@]1(C)C[C@H]([N@H+](C)Cc2cc(F)ccc2O)C1(C)C ZINC000779032541 628385021 /nfs/dbraw/zinc/38/50/21/628385021.db2.gz JVILBRPSSQGUIA-GOEBONIOSA-N 1 0 281.371 3.167 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCn2ccnc2C1)c1ccc(N(C)C)cc1 ZINC000779067622 628386684 /nfs/dbraw/zinc/38/66/84/628386684.db2.gz XURZRNYGJRCZQA-RDJZCZTQSA-N 1 0 298.434 3.005 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2CCO)c2c1c(F)ccc2O ZINC000779088338 628388192 /nfs/dbraw/zinc/38/81/92/628388192.db2.gz MSAMHKNJIATQPW-WVWOOGAGSA-N 1 0 293.382 3.220 20 10 CGCDRO COc1cccc(C[NH2+]C(C)(C)CC(F)(F)F)c1O ZINC000780587905 628502949 /nfs/dbraw/zinc/50/29/49/628502949.db2.gz RUORPKIQFVURSN-UHFFFAOYSA-N 1 0 277.286 3.221 20 10 CGCDRO CC[C@@H]1C[C@@H](C[N@H+](C)Cc2ccc(N(C)C)cc2)CCO1 ZINC000780755461 628514686 /nfs/dbraw/zinc/51/46/86/628514686.db2.gz VJNIEXAUAFHHHX-FUHWJXTLSA-N 1 0 290.451 3.390 20 10 CGCDRO CO[C@H](C)C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000782476218 628649363 /nfs/dbraw/zinc/64/93/63/628649363.db2.gz SRUIFCJWTBJVGA-CYBMUJFWSA-N 1 0 263.381 3.172 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C[C@]2(O)CCCC(C)(C)C2)cc1 ZINC000782534496 628652572 /nfs/dbraw/zinc/65/25/72/628652572.db2.gz FRNWIPDDTKEJIS-SFHVURJKSA-N 1 0 290.451 3.174 20 10 CGCDRO COc1cccc(O)c1C[NH2+]CC(C)(C)C(C)C ZINC000782534706 628652604 /nfs/dbraw/zinc/65/26/04/628652604.db2.gz GDWRIVUSRXRSID-UHFFFAOYSA-N 1 0 251.370 3.173 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCC=CO2)c(O)c1C ZINC000783312055 628703150 /nfs/dbraw/zinc/70/31/50/628703150.db2.gz ZGMTUKJWKCVRCA-ZIAGYGMSSA-N 1 0 261.365 3.352 20 10 CGCDRO C[C@@H](C[NH2+][C@@H](C)c1ccccc1O)N1CCCC[C@@H]1C ZINC000783501522 628718719 /nfs/dbraw/zinc/71/87/19/628718719.db2.gz JDVZPCZIPGAEPU-KKUMJFAQSA-N 1 0 276.424 3.306 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]CC[C@H]2CCO[C@@H](C)C2)c1 ZINC000784643582 628827284 /nfs/dbraw/zinc/82/72/84/628827284.db2.gz LYBPRBKZNAGTFU-KBPBESRZSA-N 1 0 293.407 3.086 20 10 CGCDRO C[C@H]1C[C@H](O)C[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000788269387 629043758 /nfs/dbraw/zinc/04/37/58/629043758.db2.gz MACHPQVMLMQHJR-GUYCJALGSA-N 1 0 283.371 3.014 20 10 CGCDRO CC(C)[C@@H]([NH2+]Cc1ccccc1O)[C@H](O)c1ccccc1 ZINC000788541900 629063480 /nfs/dbraw/zinc/06/34/80/629063480.db2.gz YTNFQIOTVCXUEJ-QZTJIDSGSA-N 1 0 285.387 3.240 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C2CC(C)(C)C2)cc1F ZINC000788576184 629065336 /nfs/dbraw/zinc/06/53/36/629065336.db2.gz GBRDTLIBUOQUHP-UHFFFAOYSA-N 1 0 250.361 3.170 20 10 CGCDRO COc1ccc(N2CCC([NH2+]C3CC(C)(C)C3)CC2)cc1 ZINC000788578355 629065735 /nfs/dbraw/zinc/06/57/35/629065735.db2.gz SVNXJLMQFAOGTK-UHFFFAOYSA-N 1 0 288.435 3.442 20 10 CGCDRO C[C@H]1CC[C@H](C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)O1 ZINC000789310333 629123119 /nfs/dbraw/zinc/12/31/19/629123119.db2.gz QQANSLVRCLYVTH-KBXCAEBGSA-N 1 0 288.435 3.285 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCSC(C)(C)CC2)c1 ZINC000789763467 629166825 /nfs/dbraw/zinc/16/68/25/629166825.db2.gz LGPKDGBCBSXLNB-UHFFFAOYSA-N 1 0 265.422 3.418 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2N(C)CCCC2(C)C)c(O)c1 ZINC000790496545 629213456 /nfs/dbraw/zinc/21/34/56/629213456.db2.gz FSBRWLJREZPECL-PBHICJAKSA-N 1 0 290.451 3.472 20 10 CGCDRO C[C@H](O)C[C@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000790934288 629242209 /nfs/dbraw/zinc/24/22/09/629242209.db2.gz JTRNMIXARRXQNA-DZGCQCFKSA-N 1 0 294.414 3.017 20 10 CGCDRO COC1(C[N@H+](C)Cc2ccc(N(C)C)cc2)CCCC1 ZINC000792162477 629342907 /nfs/dbraw/zinc/34/29/07/629342907.db2.gz RRNJFVFTTWNSNS-UHFFFAOYSA-N 1 0 276.424 3.144 20 10 CGCDRO Cc1cccc(C[NH2+][C@H]2COc3cccc(C)c3C2)c1O ZINC000862441646 629374499 /nfs/dbraw/zinc/37/44/99/629374499.db2.gz XCQCEPVOVVAOCB-OAHLLOKOSA-N 1 0 283.371 3.102 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+][C@H]2CO[C@H](C3CC3)C2)c1O ZINC000862530238 629392967 /nfs/dbraw/zinc/39/29/67/629392967.db2.gz XHJUYUFVIDLJFU-KGLIPLIRSA-N 1 0 281.783 3.011 20 10 CGCDRO Cc1ccc(O)c(C[NH+]2CC(Cc3cccs3)C2)c1 ZINC000862538809 629394491 /nfs/dbraw/zinc/39/44/91/629394491.db2.gz VJXPAJWKKVBGSI-UHFFFAOYSA-N 1 0 273.401 3.437 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)c1O ZINC000793214793 629429267 /nfs/dbraw/zinc/42/92/67/629429267.db2.gz RGJVOSSYDDCOBZ-NHYWBVRUSA-N 1 0 295.810 3.353 20 10 CGCDRO COc1cccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)c1O ZINC000793232566 629433119 /nfs/dbraw/zinc/43/31/19/629433119.db2.gz YMWJDZHSDNMNBM-MWLCHTKSSA-N 1 0 289.297 3.174 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000793230686 629433128 /nfs/dbraw/zinc/43/31/28/629433128.db2.gz IAVXKYYEJZDNMP-KOLCDFICSA-N 1 0 289.297 3.174 20 10 CGCDRO Oc1cccnc1C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000793257067 629436915 /nfs/dbraw/zinc/43/69/15/629436915.db2.gz ORLVQIOJUBEYHI-UHFFFAOYSA-N 1 0 297.402 3.067 20 10 CGCDRO COC1(C[NH2+]Cc2cc(C)ccc2O)CCC(C)CC1 ZINC000793289779 629440696 /nfs/dbraw/zinc/44/06/96/629440696.db2.gz DFDRHQKTLZTGAO-UHFFFAOYSA-N 1 0 277.408 3.386 20 10 CGCDRO COCCC1([NH2+]Cc2ccc(OC)c(C)c2)CCC1 ZINC000793330376 629444363 /nfs/dbraw/zinc/44/43/63/629444363.db2.gz XBVIRPPWJFKTNW-UHFFFAOYSA-N 1 0 263.381 3.052 20 10 CGCDRO Cc1ccncc1C[N@@H+](C)Cc1cc(Cl)ccc1O ZINC000793338310 629444844 /nfs/dbraw/zinc/44/48/44/629444844.db2.gz UHCNJJWXIFBIAG-UHFFFAOYSA-N 1 0 276.767 3.381 20 10 CGCDRO COc1ccc(C[NH2+]Cc2cc(F)c(F)c(F)c2)c(O)c1 ZINC000793386737 629452998 /nfs/dbraw/zinc/45/29/98/629452998.db2.gz YOGYFQUDRUQLOR-UHFFFAOYSA-N 1 0 297.276 3.108 20 10 CGCDRO COc1ccc(C[NH2+]Cc2ncc(C(C)C)s2)c(O)c1 ZINC000793388587 629453041 /nfs/dbraw/zinc/45/30/41/629453041.db2.gz QACFZAGNVDWFEQ-UHFFFAOYSA-N 1 0 292.404 3.271 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2CS[C@H](C(C)C)C2)c(O)c1 ZINC000793390347 629453587 /nfs/dbraw/zinc/45/35/87/629453587.db2.gz PFGMSFDVOHBGIM-DOMZBBRYSA-N 1 0 281.421 3.021 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCCCC[C@@H]2CCO)cc1F ZINC000793607712 629489746 /nfs/dbraw/zinc/48/97/46/629489746.db2.gz CAFUIXYGHKOCMM-OAHLLOKOSA-N 1 0 294.414 3.019 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+]2CCCCC[C@H]2CCO)c1O ZINC000793610775 629490292 /nfs/dbraw/zinc/49/02/92/629490292.db2.gz YFLPYNYNBNNMJU-HNNXBMFYSA-N 1 0 297.826 3.481 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H](O)c1ccco1)c1ccc(C)cc1O ZINC000794796964 629578084 /nfs/dbraw/zinc/57/80/84/629578084.db2.gz YTMVIXPYTXTRPJ-HIFRSBDPSA-N 1 0 275.348 3.068 20 10 CGCDRO CC[C@H]([NH2+]CCCc1c[nH]nc1C)c1ccc(C)cc1O ZINC000794797991 629578506 /nfs/dbraw/zinc/57/85/06/629578506.db2.gz RONDPCGMAUFXIL-INIZCTEOSA-N 1 0 287.407 3.406 20 10 CGCDRO Cc1ccc([C@H](O)[C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2)cc1 ZINC000796479804 629787951 /nfs/dbraw/zinc/78/79/51/629787951.db2.gz HHXBPCNGJJAUHV-DNVCBOLYSA-N 1 0 298.430 3.273 20 10 CGCDRO CC[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc(F)cc1[O-] ZINC000796664475 629812243 /nfs/dbraw/zinc/81/22/43/629812243.db2.gz XHVXYXBJHMRHJF-CQSZACIVSA-N 1 0 282.403 3.160 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CSC[C@@H]1C)c1ccc(C)cc1O ZINC000797065584 629880661 /nfs/dbraw/zinc/88/06/61/629880661.db2.gz MEKOJMRBHVFVFM-FPMFFAJLSA-N 1 0 265.422 3.493 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H]1CCOC[C@H]1C)c1ccc(C)cc1O ZINC000797086857 629883337 /nfs/dbraw/zinc/88/33/37/629883337.db2.gz QDZVGDISDVUBQS-YCPHGPKFSA-N 1 0 277.408 3.414 20 10 CGCDRO CCOc1ccc(C[NH2+]C[C@H]2CCC[C@H]2C)c(O)c1 ZINC000798506016 630061290 /nfs/dbraw/zinc/06/12/90/630061290.db2.gz QSSVJETXPWJUFO-CHWSQXEVSA-N 1 0 263.381 3.317 20 10 CGCDRO c1cnc2c(c1)CCC[C@@H]2[NH2+]Cc1ccc2c(c1)CCO2 ZINC000798925867 630125881 /nfs/dbraw/zinc/12/58/81/630125881.db2.gz DUPQCVRKLMMVIG-INIZCTEOSA-N 1 0 280.371 3.184 20 10 CGCDRO C[C@H]([NH2+]C[C@@H](CO)CC1CCCC1)c1cc(F)ccc1O ZINC000798938556 630127646 /nfs/dbraw/zinc/12/76/46/630127646.db2.gz YVUWXVABCQWELQ-JSGCOSHPSA-N 1 0 295.398 3.371 20 10 CGCDRO Cc1cc(C[NH2+][C@@H](C)Cc2ccc(N(C)C)cc2C)on1 ZINC000865604153 630214613 /nfs/dbraw/zinc/21/46/13/630214613.db2.gz RYSCQPFCAMAHMI-ZDUSSCGKSA-N 1 0 287.407 3.078 20 10 CGCDRO CO[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000799739780 630229026 /nfs/dbraw/zinc/22/90/26/630229026.db2.gz FBJIQWXAPKQHHE-KBPBESRZSA-N 1 0 283.799 3.401 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCC12CCC2 ZINC000800478326 630284207 /nfs/dbraw/zinc/28/42/07/630284207.db2.gz DIDNRXLLEYLTBM-MRXNPFEDSA-N 1 0 258.409 3.483 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCC[C@H]3C[C@H]32)c1 ZINC000800987181 630317738 /nfs/dbraw/zinc/31/77/38/630317738.db2.gz RRYALWMYMWOXJH-AZHAFVHUSA-N 1 0 261.365 3.240 20 10 CGCDRO C[C@H]1CC(CC[NH2+]Cc2ccc3c(c2)CCO3)C[C@H](C)O1 ZINC000801732616 630353534 /nfs/dbraw/zinc/35/35/34/630353534.db2.gz QZLKKYFGCOZQKR-KBPBESRZSA-N 1 0 289.419 3.305 20 10 CGCDRO Oc1ccc2ccccc2c1C[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000802658826 630403700 /nfs/dbraw/zinc/40/37/00/630403700.db2.gz RFXMXIDNIIZFRL-LBPRGKRZSA-N 1 0 293.313 3.359 20 10 CGCDRO COC[C@@H]1CC[N@@H+]1Cc1cc(C(C)C)c(C)cc1O ZINC000840083995 630583824 /nfs/dbraw/zinc/58/38/24/630583824.db2.gz SQCPKPBJCCSCFC-AWEZNQCLSA-N 1 0 263.381 3.045 20 10 CGCDRO COc1cc(C[N@@H+]2CC[C@@H](F)C2)c(O)c(C(C)(C)C)c1 ZINC000840107828 630596802 /nfs/dbraw/zinc/59/68/02/630596802.db2.gz ZCIPPPKLAQLTFD-GFCCVEGCSA-N 1 0 281.371 3.242 20 10 CGCDRO CCOCc1cc(C[NH2+][C@H]2C[C@H](SC)C2)ccc1OC ZINC000865734347 630606906 /nfs/dbraw/zinc/60/69/06/630606906.db2.gz UHVYJOARXOXPSR-SHTZXODSSA-N 1 0 295.448 3.215 20 10 CGCDRO CC(C)[C@@H](CO)C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000808421965 630643008 /nfs/dbraw/zinc/64/30/08/630643008.db2.gz VNIJGPSVGMMBJG-GOSISDBHSA-N 1 0 299.414 3.413 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCCSC2)cc1C ZINC000808431265 630644319 /nfs/dbraw/zinc/64/43/19/630644319.db2.gz YHOITVJQAIBWIL-ZDUSSCGKSA-N 1 0 265.422 3.242 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CC(C)(C)N(C)C)c1O ZINC000808672282 630662615 /nfs/dbraw/zinc/66/26/15/630662615.db2.gz ILHCUYVFCUJFQI-LLVKDONJSA-N 1 0 284.831 3.345 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](CO)CC(C)C)c1O ZINC000808680018 630663994 /nfs/dbraw/zinc/66/39/94/630663994.db2.gz GXJZKJKPZKZXIZ-AAEUAGOBSA-N 1 0 285.815 3.412 20 10 CGCDRO CC[C@H](COC)[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808697544 630666515 /nfs/dbraw/zinc/66/65/15/630666515.db2.gz MTLJDEAMDAUDIL-CMPLNLGQSA-N 1 0 271.788 3.430 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](CO)C(C)C)c1O ZINC000808699971 630666520 /nfs/dbraw/zinc/66/65/20/630666520.db2.gz ADTYIMIZHYJZDY-GXFFZTMASA-N 1 0 271.788 3.022 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)CCCO)c1O ZINC000808701777 630667123 /nfs/dbraw/zinc/66/71/23/630667123.db2.gz ICRZKCNQTOGSFD-QWRGUYRKSA-N 1 0 271.788 3.166 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2(CCO)CC2)c1O ZINC000808715710 630669724 /nfs/dbraw/zinc/66/97/24/630669724.db2.gz NQSSMJIXXIRKIM-LLVKDONJSA-N 1 0 283.799 3.167 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H]2CC[C@H](O)C2)c1O ZINC000808715980 630669907 /nfs/dbraw/zinc/66/99/07/630669907.db2.gz PCADVBJNDVDTBH-LOWVWBTDSA-N 1 0 283.799 3.166 20 10 CGCDRO COc1cncc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000808748677 630674335 /nfs/dbraw/zinc/67/43/35/630674335.db2.gz XLMQFEDWWZSGAG-ZDUSSCGKSA-N 1 0 285.391 3.007 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CCC=C(c2ccco2)C1 ZINC000809688229 630783484 /nfs/dbraw/zinc/78/34/84/630783484.db2.gz FHMJPNJOOABGBW-UHFFFAOYSA-N 1 0 285.343 3.283 20 10 CGCDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000809728770 630794079 /nfs/dbraw/zinc/79/40/79/630794079.db2.gz HKHDJHMVMXPSNA-HNNXBMFYSA-N 1 0 272.323 3.263 20 10 CGCDRO CCN(CC)c1ccc(CN(C)CCC[NH+](C)C)cc1F ZINC000809730029 630794949 /nfs/dbraw/zinc/79/49/49/630794949.db2.gz XLSIBTQTAKCDEW-UHFFFAOYSA-N 1 0 295.446 3.055 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@](C)(CO)C(C)C)cc1F ZINC000810172372 630849957 /nfs/dbraw/zinc/84/99/57/630849957.db2.gz GQJWYXYBBBGGEI-QGZVFWFLSA-N 1 0 296.430 3.169 20 10 CGCDRO CC[C@@H]([NH2+]CCCOC)c1ccc(C(F)(F)F)cc1O ZINC000810206918 630853951 /nfs/dbraw/zinc/85/39/51/630853951.db2.gz AKCCZRKZIDSFDS-GFCCVEGCSA-N 1 0 291.313 3.488 20 10 CGCDRO CO[C@@H](C)[C@@H](C)[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000810257414 630860201 /nfs/dbraw/zinc/86/02/01/630860201.db2.gz QGHMWKXPRKMKSR-VWYCJHECSA-N 1 0 271.788 3.428 20 10 CGCDRO CC[C@H]([NH2+]CCC1(COC)CC1)c1ccccc1O ZINC000842890754 635506213 /nfs/dbraw/zinc/50/62/13/635506213.db2.gz KZDQHELSASKHDI-AWEZNQCLSA-N 1 0 263.381 3.250 20 10 CGCDRO Cc1cccc(C[NH2+][C@H]2COc3c(C)cccc3C2)c1O ZINC000811518979 631083269 /nfs/dbraw/zinc/08/32/69/631083269.db2.gz UCQUDEJOVHRFSM-MRXNPFEDSA-N 1 0 283.371 3.102 20 10 CGCDRO COc1cc(C[N@@H+]2CCC(F)(F)[C@H](C)C2)c(O)cc1C ZINC000811778215 631119712 /nfs/dbraw/zinc/11/97/12/631119712.db2.gz BZSZNTRBSGBJAU-LLVKDONJSA-N 1 0 285.334 3.186 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2c3c(nn2C)CCCC3)c1 ZINC000812736968 631299997 /nfs/dbraw/zinc/29/99/97/631299997.db2.gz KQALYOWARCJGPB-CYBMUJFWSA-N 1 0 299.418 3.164 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)c(O)c1 ZINC000876513052 634849995 /nfs/dbraw/zinc/84/99/95/634849995.db2.gz GOXWUNHJIYKNBP-OAHLLOKOSA-N 1 0 256.349 3.366 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c(O)c1 ZINC000814169323 631536439 /nfs/dbraw/zinc/53/64/39/631536439.db2.gz GRIUYCQTTJNSIB-CABCVRRESA-N 1 0 297.345 3.268 20 10 CGCDRO Cc1cc(C[N@@H+]2CCCOC(C)(C)C2)ccc1N(C)C ZINC000815050837 631707490 /nfs/dbraw/zinc/70/74/90/631707490.db2.gz GJXBQJLWFUCUNJ-UHFFFAOYSA-N 1 0 276.424 3.062 20 10 CGCDRO Cc1cc(C[N@H+]2CCS[C@H](C)[C@@H]2C)ccc1N(C)C ZINC000815050643 631707980 /nfs/dbraw/zinc/70/79/80/631707980.db2.gz DKDKCNBTPMEGIM-UONOGXRCSA-N 1 0 278.465 3.387 20 10 CGCDRO Cc1cc(C[N@@H+]2CCC3(CCC3)C2)ccc1N(C)C ZINC000815061419 631708775 /nfs/dbraw/zinc/70/87/75/631708775.db2.gz UMURUKQJGDBRRG-UHFFFAOYSA-N 1 0 258.409 3.437 20 10 CGCDRO COc1cccc(O)c1C[NH2+]C[C@H]1CCCC1(C)C ZINC000815164706 631734795 /nfs/dbraw/zinc/73/47/95/631734795.db2.gz ZYCQWEBBVHZCRB-GFCCVEGCSA-N 1 0 263.381 3.317 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2cccnc2)c(O)c1 ZINC000815553121 631793757 /nfs/dbraw/zinc/79/37/57/631793757.db2.gz RUVZKFDYOVWYIB-ZDUSSCGKSA-N 1 0 256.349 3.255 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)[C@]1(C)CCCO1 ZINC000815580955 631799434 /nfs/dbraw/zinc/79/94/34/631799434.db2.gz UJVGDKWUNAIFAF-YOEHRIQHSA-N 1 0 276.424 3.108 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@]2(C)CCCO2)c(O)c1 ZINC000815587443 631801072 /nfs/dbraw/zinc/80/10/72/631801072.db2.gz JUHVUFZFSLLAJO-CJNGLKHVSA-N 1 0 263.381 3.229 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2cccc(F)n2)c(O)c1 ZINC000815597959 631803799 /nfs/dbraw/zinc/80/37/99/631803799.db2.gz JMKSDESPHSXLOY-GFCCVEGCSA-N 1 0 274.339 3.394 20 10 CGCDRO CCN1CC[N@H+](Cc2ccc3ccccc3c2O)C[C@@H]1C ZINC000816506707 631998449 /nfs/dbraw/zinc/99/84/49/631998449.db2.gz KQDCFUFZTCWFNK-AWEZNQCLSA-N 1 0 284.403 3.071 20 10 CGCDRO Oc1c(C[NH2+]C[C@H]2CCCCO2)ccc2ccccc21 ZINC000816540429 632005781 /nfs/dbraw/zinc/00/57/81/632005781.db2.gz LCCGQJAQXKJZOL-OAHLLOKOSA-N 1 0 271.360 3.204 20 10 CGCDRO CCC[C@@H](CCO)C[NH2+]Cc1ccc2ccccc2c1O ZINC000816553849 632010736 /nfs/dbraw/zinc/01/07/36/632010736.db2.gz INIYALJGQFSSIF-AWEZNQCLSA-N 1 0 287.403 3.434 20 10 CGCDRO CS[C@@H](C)C[NH2+]Cc1ccc2ccccc2c1O ZINC000816558082 632011663 /nfs/dbraw/zinc/01/16/63/632011663.db2.gz MGTCDWRDFFHMDE-NSHDSACASA-N 1 0 261.390 3.387 20 10 CGCDRO Oc1c(C[NH+]2CC(C3CCOCC3)C2)ccc2ccccc21 ZINC000816599992 632021251 /nfs/dbraw/zinc/02/12/51/632021251.db2.gz HENWTPNHCHMUOV-UHFFFAOYSA-N 1 0 297.398 3.404 20 10 CGCDRO CC[C@H](C[NH2+]Cc1ccc2ccccc2c1O)OC ZINC000816616226 632024425 /nfs/dbraw/zinc/02/44/25/632024425.db2.gz RNQFEONYYHZENC-CQSZACIVSA-N 1 0 259.349 3.060 20 10 CGCDRO CC[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(OC)c2O)CCO1 ZINC000817415278 632145586 /nfs/dbraw/zinc/14/55/86/632145586.db2.gz QDNJIQIWOBQPNB-QWHCGFSZSA-N 1 0 299.798 3.101 20 10 CGCDRO CON1CCC([NH2+][C@H](C)c2cc(Cl)cc(C)c2O)CC1 ZINC000817589495 632192993 /nfs/dbraw/zinc/19/29/93/632192993.db2.gz YKHHSTMVBIWHLU-LLVKDONJSA-N 1 0 298.814 3.030 20 10 CGCDRO CC[NH2+]CCC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000817943765 632241723 /nfs/dbraw/zinc/24/17/23/632241723.db2.gz SIQFWZPEPAKGJW-SNVBAGLBSA-N 1 0 290.329 3.061 20 10 CGCDRO CC[C@H](NC[C@H]1CCCC[NH2+]1)c1cc(Cl)ccc1O ZINC000817949318 632245508 /nfs/dbraw/zinc/24/55/08/632245508.db2.gz INBJMYDBMZNZIH-OCCSQVGLSA-N 1 0 282.815 3.228 20 10 CGCDRO CC[C@@H]([NH2+]CC[C@H](C)[NH3+])c1cc(Cl)cc(Cl)c1[O-] ZINC000817952182 632248130 /nfs/dbraw/zinc/24/81/30/632248130.db2.gz IHNQYVJQBKKBFU-QPUJVOFHSA-N 1 0 291.222 3.477 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](N)c1ccccc1)c1ccc(C)cc1O ZINC000817954635 632249277 /nfs/dbraw/zinc/24/92/77/632249277.db2.gz FPJBRKWHKMGJBO-SJORKVTESA-N 1 0 284.403 3.441 20 10 CGCDRO CC[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cccc(Cl)c1[O-] ZINC000817955527 632249904 /nfs/dbraw/zinc/24/99/04/632249904.db2.gz YAOBULPFVBWFMZ-FZMZJTMJSA-N 1 0 282.815 3.086 20 10 CGCDRO Cc1cc([C@@H](C)[NH2+]CCc2ccc(N)cc2)c(C)o1 ZINC000817955742 632250482 /nfs/dbraw/zinc/25/04/82/632250482.db2.gz GRJBYXWYSQOPSM-GFCCVEGCSA-N 1 0 258.365 3.372 20 10 CGCDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)c1ccc(F)c(F)c1 ZINC000817956284 632251274 /nfs/dbraw/zinc/25/12/74/632251274.db2.gz VQOKNTXIHHXWNH-LLVKDONJSA-N 1 0 276.330 3.440 20 10 CGCDRO Cc1cc([C@H](C)[NH2+]CCc2ccc(N)cc2)oc1C ZINC000817956676 632251899 /nfs/dbraw/zinc/25/18/99/632251899.db2.gz ALTZYOKBWLSNAY-LBPRGKRZSA-N 1 0 258.365 3.372 20 10 CGCDRO C[C@H]([NH2+]CCc1ccc(N)cc1)c1ccccc1N(C)C ZINC000817957388 632252184 /nfs/dbraw/zinc/25/21/84/632252184.db2.gz LVAYXGDHPCNOPQ-AWEZNQCLSA-N 1 0 283.419 3.228 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCc2ccc(N)cc2)c(C)n1 ZINC000817958115 632253700 /nfs/dbraw/zinc/25/37/00/632253700.db2.gz SFDLVTCONJTSAO-CYBMUJFWSA-N 1 0 269.392 3.174 20 10 CGCDRO CCCC[C@H](CN)[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000817963193 632258523 /nfs/dbraw/zinc/25/85/23/632258523.db2.gz SDICMHIEJTZTEI-NQBHXWOUSA-N 1 0 280.387 3.187 20 10 CGCDRO CCCC[C@H](CN)[NH2+][C@H](C)c1ccc(N(C)CC)cc1 ZINC000817962829 632259013 /nfs/dbraw/zinc/25/90/13/632259013.db2.gz LJGMYAHEBUVQOO-GDBMZVCRSA-N 1 0 277.456 3.311 20 10 CGCDRO CC[NH2+][C@H](C)CN[C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000817971276 632264969 /nfs/dbraw/zinc/26/49/69/632264969.db2.gz BTGRWZFETMNGFH-HZPDHXFCSA-N 1 0 289.467 3.326 20 10 CGCDRO CC[NH2+][C@H](C)CN[C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000817973270 632266298 /nfs/dbraw/zinc/26/62/98/632266298.db2.gz SCLUNPNVADAQDH-BDAKNGLRSA-N 1 0 291.222 3.348 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2NCCc3ccccc32)c(O)c1 ZINC000817973397 632266711 /nfs/dbraw/zinc/26/67/11/632266711.db2.gz FFNRRKGSHGTGLJ-KBXCAEBGSA-N 1 0 296.414 3.238 20 10 CGCDRO CC[C@@H]([NH3+])CN[C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000817979001 632270453 /nfs/dbraw/zinc/27/04/53/632270453.db2.gz GIRAGFHXEPQERB-DZGCQCFKSA-N 1 0 293.430 3.204 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H](CN)C2CCCC2)c(O)c1C ZINC000817982011 632271992 /nfs/dbraw/zinc/27/19/92/632271992.db2.gz PCURCUILXSOYOX-XJKSGUPXSA-N 1 0 276.424 3.177 20 10 CGCDRO C[C@@H](N[C@H]1CCCC[NH2+]C1)c1cc2c(cc1O)CCCC2 ZINC000817983904 632272887 /nfs/dbraw/zinc/27/28/87/632272887.db2.gz LCJIODJEOKTCJO-CJNGLKHVSA-N 1 0 288.435 3.064 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CC23CC3)cc1F ZINC000818230030 632300420 /nfs/dbraw/zinc/30/04/20/632300420.db2.gz MTXAOMSFNDVURI-OAHLLOKOSA-N 1 0 262.372 3.314 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@]23CCC[C@H]2OCC3)cc1 ZINC000865857945 632922255 /nfs/dbraw/zinc/92/22/55/632922255.db2.gz WSXIZHJLBGBHCZ-ZLKFPQNLSA-N 1 0 286.419 3.067 20 10 CGCDRO CS[C@H]1CC[C@@H]1[NH2+]CCCSc1nccs1 ZINC000822464399 632934696 /nfs/dbraw/zinc/93/46/96/632934696.db2.gz PMYYRSBFHCNVGY-UWVGGRQHSA-N 1 0 274.480 3.109 20 10 CGCDRO CCCN(Cc1cncn1C(C)C)c1ccc(C[NH3+])cc1 ZINC000822476595 632939004 /nfs/dbraw/zinc/93/90/04/632939004.db2.gz QKRMFPDXKQXWIM-UHFFFAOYSA-N 1 0 286.423 3.339 20 10 CGCDRO CCC[C@H](CCO)[NH2+][C@H](CC)c1ccc(C)cc1O ZINC000866415129 633127505 /nfs/dbraw/zinc/12/75/05/633127505.db2.gz PFAIPEPEEZWIMQ-UKRRQHHQSA-N 1 0 265.397 3.292 20 10 CGCDRO CS[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc(C)cc2O)C1 ZINC000866488970 633158517 /nfs/dbraw/zinc/15/85/17/633158517.db2.gz ZPZRGKGZORYCRF-SRVKXCTJSA-N 1 0 251.395 3.245 20 10 CGCDRO CC[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(N(C)C)cc2)CCO1 ZINC000824195578 633210378 /nfs/dbraw/zinc/21/03/78/633210378.db2.gz IIKZBBJHMSCKMV-FRFSOERESA-N 1 0 276.424 3.361 20 10 CGCDRO CC[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(N(C)C)cc2)CCO1 ZINC000824195588 633210542 /nfs/dbraw/zinc/21/05/42/633210542.db2.gz IIKZBBJHMSCKMV-UKPHBRMFSA-N 1 0 276.424 3.361 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCn3nccc32)c(O)c1C ZINC000866631437 633221895 /nfs/dbraw/zinc/22/18/95/633221895.db2.gz AHHKCKDCCAJALC-HIFRSBDPSA-N 1 0 285.391 3.391 20 10 CGCDRO C[C@@H]([NH2+]CC[C@@H](O)C1CCCC1)c1ccc(F)cc1[O-] ZINC000866637818 633226419 /nfs/dbraw/zinc/22/64/19/633226419.db2.gz LPIAYFYWACJPBY-IAQYHMDHSA-N 1 0 281.371 3.123 20 10 CGCDRO C[C@@H]([NH2+]CC[C@H](O)C1CCCC1)c1ccc(F)cc1[O-] ZINC000866637816 633226709 /nfs/dbraw/zinc/22/67/09/633226709.db2.gz LPIAYFYWACJPBY-ABAIWWIYSA-N 1 0 281.371 3.123 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)CC[C@@H]2C)c(O)c1 ZINC000824320968 633229784 /nfs/dbraw/zinc/22/97/84/633229784.db2.gz NEEJWAOCMAUUCT-SLEUVZQESA-N 1 0 263.381 3.315 20 10 CGCDRO COc1cccc(C[NH2+][C@@H]2C[C@@H](C)CC[C@H]2C)c1O ZINC000824383515 633240232 /nfs/dbraw/zinc/24/02/32/633240232.db2.gz OOHOKBXXKRAOLY-OUCADQQQSA-N 1 0 263.381 3.315 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]CC(C)(C)c2ccccn2)c1 ZINC000824583984 633262095 /nfs/dbraw/zinc/26/20/95/633262095.db2.gz UITIACLEPVURSA-UHFFFAOYSA-N 1 0 270.376 3.163 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@H](C)CCCO)cc1F ZINC000824602686 633263211 /nfs/dbraw/zinc/26/32/11/633263211.db2.gz ALZHVYYLRMGSAR-CQSZACIVSA-N 1 0 296.430 3.170 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c1O ZINC000824695714 633274738 /nfs/dbraw/zinc/27/47/38/633274738.db2.gz BKUGWDCMHZQVIK-ZACQAIPSSA-N 1 0 289.419 3.216 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000824715173 633278159 /nfs/dbraw/zinc/27/81/59/633278159.db2.gz IVVXRCYNAWYIEH-LZWOXQAQSA-N 1 0 295.810 3.171 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCCOC(C)(C)C2)cc1Cl ZINC000824836190 633299429 /nfs/dbraw/zinc/29/94/29/633299429.db2.gz JOFFPOOLXUSIML-UHFFFAOYSA-N 1 0 283.799 3.355 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+][C@H]2C[C@H](C)n3ccnc32)c1O ZINC000825017579 633318501 /nfs/dbraw/zinc/31/85/01/633318501.db2.gz VKQDDHOQCDKESR-GWCFXTLKSA-N 1 0 291.782 3.346 20 10 CGCDRO CCOc1ccc(O)c(C[N@H+](C)[C@H](CO)CC(C)(C)C)c1 ZINC000825041003 633321138 /nfs/dbraw/zinc/32/11/38/633321138.db2.gz YDNSTEJWTUJUNG-AWEZNQCLSA-N 1 0 295.423 3.020 20 10 CGCDRO COc1cccc([C@H]2C[C@H]([NH2+]Cc3ccccc3O)C2)c1 ZINC000825091024 633327836 /nfs/dbraw/zinc/32/78/36/633327836.db2.gz RULDHIYRSLBHRW-WKILWMFISA-N 1 0 283.371 3.437 20 10 CGCDRO COCCCCC[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825167679 633333526 /nfs/dbraw/zinc/33/35/26/633333526.db2.gz OJYXBUAFIXKKQZ-UHFFFAOYSA-N 1 0 271.788 3.260 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2C[C@H]2C2CC2)cc1F ZINC000825244888 633338695 /nfs/dbraw/zinc/33/86/95/633338695.db2.gz AGSMRGNBEVBASQ-KBPBESRZSA-N 1 0 262.372 3.027 20 10 CGCDRO OCCC[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000825339079 633347100 /nfs/dbraw/zinc/34/71/00/633347100.db2.gz ZWVPPZPCHJRGLU-CQSZACIVSA-N 1 0 285.387 3.140 20 10 CGCDRO COC1(C[NH2+]Cc2cc(Cl)c(C)cc2O)CCC1 ZINC000825467904 633356925 /nfs/dbraw/zinc/35/69/25/633356925.db2.gz AXMHHQOGSCRGIL-UHFFFAOYSA-N 1 0 269.772 3.013 20 10 CGCDRO CC(C)C1C[NH+](Cc2ccc(Br)cc2O)C1 ZINC000825738662 633378885 /nfs/dbraw/zinc/37/88/85/633378885.db2.gz RLYXBIVTOXKMSF-UHFFFAOYSA-N 1 0 284.197 3.243 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](O)C23CCCC3)cc1Cl ZINC000826011814 633396526 /nfs/dbraw/zinc/39/65/26/633396526.db2.gz IXOZUJCVGVDTDI-HNNXBMFYSA-N 1 0 295.810 3.233 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+][C@H]2COC(C)(C)C2)c1O ZINC000826797642 633433391 /nfs/dbraw/zinc/43/33/91/633433391.db2.gz WPNHMORKGGAFKQ-GFCCVEGCSA-N 1 0 269.772 3.011 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H](C)c1ccccn1 ZINC000826803368 633434487 /nfs/dbraw/zinc/43/44/87/633434487.db2.gz NHNQXNHOADQDFC-OAHLLOKOSA-N 1 0 283.419 3.349 20 10 CGCDRO C[C@@]12COC[C@]1(C)C[N@@H+](Cc1ccc3ccccc3c1O)C2 ZINC000827017393 633448773 /nfs/dbraw/zinc/44/87/73/633448773.db2.gz BXOZJZINUQCVFV-KDURUIRLSA-N 1 0 297.398 3.404 20 10 CGCDRO CCc1cccc(C[NH2+]CC[C@]2(C)CC2(F)F)c1O ZINC000827259804 633476246 /nfs/dbraw/zinc/47/62/46/633476246.db2.gz HTCJIIOKOSLNPF-CQSZACIVSA-N 1 0 269.335 3.480 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](CCF)C2)c1 ZINC000827271591 633477352 /nfs/dbraw/zinc/47/73/52/633477352.db2.gz RUMUSHPTURIGLK-CYBMUJFWSA-N 1 0 281.371 3.363 20 10 CGCDRO CCC(=O)CCC[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000827441982 633491367 /nfs/dbraw/zinc/49/13/67/633491367.db2.gz IAUAZCBIZXXGME-UHFFFAOYSA-N 1 0 288.435 3.476 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)c1O ZINC000827488484 633494110 /nfs/dbraw/zinc/49/41/10/633494110.db2.gz IGSPNVQTQKNOGZ-ITGUQSILSA-N 1 0 251.757 3.242 20 10 CGCDRO Cc1ccc(O)c(C[N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)c1 ZINC000827849131 633525579 /nfs/dbraw/zinc/52/55/79/633525579.db2.gz AJKYLUIPJBVNSW-HDICACEKSA-N 1 0 287.403 3.093 20 10 CGCDRO CCCCCC[N@H+](C)CC(=O)N[C@@H](C)c1ccccc1O ZINC000827978484 633544178 /nfs/dbraw/zinc/54/41/78/633544178.db2.gz VDLVLUKQUCCIRP-AWEZNQCLSA-N 1 0 292.423 3.082 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@@](C)(O)c1ccccc1 ZINC000846038194 636134906 /nfs/dbraw/zinc/13/49/06/636134906.db2.gz LVKRWXILAIAYNN-DNVCBOLYSA-N 1 0 298.430 3.138 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+][C@H](C1CC1)C1CCOCC1)CC2 ZINC000846185919 636155789 /nfs/dbraw/zinc/15/57/89/636155789.db2.gz BHFRQPRWAJUQQP-CRAIPNDOSA-N 1 0 287.403 3.174 20 10 CGCDRO C[C@@H]([NH2+][C@H](CO)CCF)c1ccc(N2CCCCC2)cc1 ZINC000846209737 636159374 /nfs/dbraw/zinc/15/93/74/636159374.db2.gz TYINELOBUUALQW-ZBFHGGJFSA-N 1 0 294.414 3.048 20 10 CGCDRO CC(C)Oc1ccc(C[NH2+][C@H]2CCc3cccc(O)c32)cn1 ZINC000834513377 634174598 /nfs/dbraw/zinc/17/45/98/634174598.db2.gz LFSRIUOBJFNLAB-HNNXBMFYSA-N 1 0 298.386 3.352 20 10 CGCDRO C[C@@H]1CCC[C@H](C)N1CC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834575826 634187135 /nfs/dbraw/zinc/18/71/35/634187135.db2.gz OUBXKIPPKGAIRF-IJEWVQPXSA-N 1 0 288.435 3.232 20 10 CGCDRO COc1cc(C[NH+]2CCC(C)(F)CC2)c(O)cc1C ZINC000872691262 634188248 /nfs/dbraw/zinc/18/82/48/634188248.db2.gz DPZVUCHUUJDNFQ-UHFFFAOYSA-N 1 0 267.344 3.033 20 10 CGCDRO Cc1ncc2c(n1)CCC[C@@H]2[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834590844 634192996 /nfs/dbraw/zinc/19/29/96/634192996.db2.gz ZSOLSHREFNDFBW-HOTGVXAUSA-N 1 0 295.386 3.145 20 10 CGCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H]3CSC[C@@H]3C1)CCC2 ZINC000872722112 634196290 /nfs/dbraw/zinc/19/62/90/634196290.db2.gz NRRWUJPOLHFDRJ-HOCLYGCPSA-N 1 0 289.444 3.066 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]CCC[C@@H]1CCCC[C@@H]1O)CC2 ZINC000834684893 634219676 /nfs/dbraw/zinc/21/96/76/634219676.db2.gz AHZPJRSBOXRFNR-IMJJTQAJSA-N 1 0 289.419 3.300 20 10 CGCDRO CN1Cc2ccccc2[C@@H]([NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000834693087 634220810 /nfs/dbraw/zinc/22/08/10/634220810.db2.gz KKXATOYGPDRURS-SJORKVTESA-N 1 0 294.398 3.156 20 10 CGCDRO CC1(C)C[C@@H]([NH2+][C@H]2CCc3cccc(O)c32)C(C)(C)O1 ZINC000834756249 634236377 /nfs/dbraw/zinc/23/63/77/634236377.db2.gz LHQODNUEEDTJQT-GXTWGEPZSA-N 1 0 275.392 3.315 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]CCC[C@@H]1CCCCO1)CC2 ZINC000834766762 634237939 /nfs/dbraw/zinc/23/79/39/634237939.db2.gz YETUXPBHYHGIOD-GJZGRUSLSA-N 1 0 275.392 3.318 20 10 CGCDRO CCCOc1ccc(C[NH2+]CC[C@H](C)[S@](C)=O)cc1C ZINC000873080586 634242967 /nfs/dbraw/zinc/24/29/67/634242967.db2.gz QBTMPFUQIANQQX-XOBRGWDASA-N 1 0 297.464 3.031 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]CC1(c3ccccn3)CCC1)CC2 ZINC000834798373 634243523 /nfs/dbraw/zinc/24/35/23/634243523.db2.gz CZEUORPYCFGRDS-HNNXBMFYSA-N 1 0 294.398 3.486 20 10 CGCDRO CCCOc1ccc(C[NH2+]CCC2CC(O)C2)cc1C ZINC000873114598 634249106 /nfs/dbraw/zinc/24/91/06/634249106.db2.gz MDPBNOLIYWFACQ-UHFFFAOYSA-N 1 0 277.408 3.034 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCn2ccnc21)c1cc2c(cc1O)CCCC2 ZINC000834829998 634250895 /nfs/dbraw/zinc/25/08/95/634250895.db2.gz AWGXOUZUZWGDNE-LRDDRELGSA-N 1 0 297.402 3.263 20 10 CGCDRO C[C@H](CCO)CC[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000834831961 634252113 /nfs/dbraw/zinc/25/21/13/634252113.db2.gz LWGHUVSZAKMKCX-LOWVWBTDSA-N 1 0 281.371 3.078 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](C)CCCO)c1O ZINC000834870910 634261481 /nfs/dbraw/zinc/26/14/81/634261481.db2.gz LNXPWHMWAUWARC-CMPLNLGQSA-N 1 0 285.815 3.413 20 10 CGCDRO CC[C@H]([NH2+][C@@H](CC)[C@H](C)O)c1cc(Cl)ccc1O ZINC000834888207 634268502 /nfs/dbraw/zinc/26/85/02/634268502.db2.gz NNSVFKFMUXISRF-XDTLVQLUSA-N 1 0 271.788 3.246 20 10 CGCDRO CCn1ccnc1[C@H](C)[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000834894240 634272020 /nfs/dbraw/zinc/27/20/20/634272020.db2.gz JLBKZQOKHFTHKN-STQMWFEESA-N 1 0 273.380 3.329 20 10 CGCDRO COc1cccc(CNc2ccc3c([nH+]2)CCCC3)c1O ZINC000873190193 634277695 /nfs/dbraw/zinc/27/76/95/634277695.db2.gz XCVKJBNHPRLDKN-UHFFFAOYSA-N 1 0 284.359 3.287 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@H](O)c1ccccc1 ZINC000873194311 634279198 /nfs/dbraw/zinc/27/91/98/634279198.db2.gz SDBRIHDCJOGMTM-IEBWSBKVSA-N 1 0 297.398 3.223 20 10 CGCDRO COc1cccnc1C[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000834906652 634281909 /nfs/dbraw/zinc/28/19/09/634281909.db2.gz RFMMAVNGZNNEAD-JTQLQIEISA-N 1 0 292.766 3.300 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1CCC[C@H]1O)c1ccc2ccccc2c1O ZINC000834905890 634282569 /nfs/dbraw/zinc/28/25/69/634282569.db2.gz LZUDOXCPEGQBAR-HACGYAERSA-N 1 0 285.387 3.357 20 10 CGCDRO [NH3+][C@@H]1C[C@H]1c1ccc(NCc2cc(Cl)ccc2O)cc1 ZINC000873217151 634287728 /nfs/dbraw/zinc/28/77/28/634287728.db2.gz IYJNVGVZHGPWPF-LSDHHAIUSA-N 1 0 288.778 3.472 20 10 CGCDRO CN(C)c1ccc(/C=C/C[N@H+](C)C[C@@H]2CCCCO2)cc1 ZINC000835029077 634326273 /nfs/dbraw/zinc/32/62/73/634326273.db2.gz UUTXCOQQPMADEP-DKFQHHCZSA-N 1 0 288.435 3.267 20 10 CGCDRO CN(C)c1ccc(/C=C\C[N@H+](C)C[C@@H]2CCCCO2)cc1 ZINC000835029093 634326328 /nfs/dbraw/zinc/32/63/28/634326328.db2.gz UUTXCOQQPMADEP-MJRGOJFPSA-N 1 0 288.435 3.267 20 10 CGCDRO Cc1cnccc1CC[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835041977 634330463 /nfs/dbraw/zinc/33/04/63/634330463.db2.gz QBFSCRHHQIUBDG-SNAWJCMRSA-N 1 0 295.430 3.302 20 10 CGCDRO CO[C@@H](C[NH2+]C/C=C/c1ccc(N(C)C)cc1)C(C)C ZINC000835043167 634330488 /nfs/dbraw/zinc/33/04/88/634330488.db2.gz NOMTUKGVPOFXBC-LXXRFIIISA-N 1 0 276.424 3.026 20 10 CGCDRO CO[C@@H]1C[N@H+](C/C=C/c2ccc(N(C)C)cc2)CC[C@@H]1C ZINC000835045142 634332277 /nfs/dbraw/zinc/33/22/77/634332277.db2.gz JQEQOYQVTNSJEI-HLJKATFASA-N 1 0 288.435 3.123 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@H]2CCC(C)(C)O2)cc1 ZINC000835045906 634332492 /nfs/dbraw/zinc/33/24/92/634332492.db2.gz LMCZMWVETYWWQW-KEGWNNHHSA-N 1 0 288.435 3.313 20 10 CGCDRO CO[C@@]1(C)CCC[N@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835054520 634338213 /nfs/dbraw/zinc/33/82/13/634338213.db2.gz QRQMNCCZRHVFLF-YEODSOHDSA-N 1 0 288.435 3.267 20 10 CGCDRO CC(C)[N@H+](C/C=C/c1ccc(N(C)C)cc1)[C@H]1CCOC1 ZINC000835056661 634340305 /nfs/dbraw/zinc/34/03/05/634340305.db2.gz WNXAXMVEZKHLJW-QWNKOJSDSA-N 1 0 288.435 3.265 20 10 CGCDRO Cc1cccc(O)c1CNc1ccc(CC[NH+](C)C)cc1 ZINC000876855279 634915070 /nfs/dbraw/zinc/91/50/70/634915070.db2.gz QHHFNMLOKKCSHE-UHFFFAOYSA-N 1 0 284.403 3.417 20 10 CGCDRO Cc1nc2ccccc2n1CC[NH2+]Cc1c(C)cccc1O ZINC000876899695 634924469 /nfs/dbraw/zinc/92/44/69/634924469.db2.gz OMZCTOGUFNLVJS-UHFFFAOYSA-N 1 0 295.386 3.149 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H](C)Cc2cccc(O)c2)c(O)c1 ZINC000877016913 634951625 /nfs/dbraw/zinc/95/16/25/634951625.db2.gz CEONQQYBLQYJDU-ZDUSSCGKSA-N 1 0 271.360 3.127 20 10 CGCDRO Cc1cc(C[NH2+]CCCSc2nccs2)sn1 ZINC000877061298 634967706 /nfs/dbraw/zinc/96/77/06/634967706.db2.gz DFEHJQJUMLYSBQ-UHFFFAOYSA-N 1 0 285.463 3.180 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2ccc3c(c2)COC3)c(O)c1 ZINC000877098332 634984666 /nfs/dbraw/zinc/98/46/66/634984666.db2.gz QIDKQTPXIQFOFJ-UHFFFAOYSA-N 1 0 269.344 3.021 20 10 CGCDRO Cc1ccc(C[NH2+]CCCCC(=O)OC(C)(C)C)c(O)c1 ZINC000877133890 634996852 /nfs/dbraw/zinc/99/68/52/634996852.db2.gz KCHMBZAAFXSWFM-UHFFFAOYSA-N 1 0 293.407 3.302 20 10 CGCDRO CSc1cc(C[NH2+]Cc2ccc(C)cc2O)ccn1 ZINC000877166758 635004594 /nfs/dbraw/zinc/00/45/94/635004594.db2.gz YGFGQADBMUBLNV-UHFFFAOYSA-N 1 0 274.389 3.107 20 10 CGCDRO C[C@@H]([NH2+]Cc1cccc(F)c1N)c1ccc(N(C)C)cc1 ZINC000877417533 635037831 /nfs/dbraw/zinc/03/78/31/635037831.db2.gz VIMNBHYODQILAK-GFCCVEGCSA-N 1 0 287.382 3.325 20 10 CGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@@H](C)[C@@H]1CC1(F)F ZINC000877479642 635052717 /nfs/dbraw/zinc/05/27/17/635052717.db2.gz VNCUPJKGXAPLSW-FZMZJTMJSA-N 1 0 268.351 3.405 20 10 CGCDRO Cc1ccc(C[N@@H+]2CC[C@@H](c3ccccn3)C2)c(O)c1 ZINC000877500027 635062852 /nfs/dbraw/zinc/06/28/52/635062852.db2.gz AECXSPANVRNFND-CQSZACIVSA-N 1 0 268.360 3.085 20 10 CGCDRO Cc1ccc(C[N@H+]2CCCCC[C@H]2C[C@H](C)O)c(O)c1 ZINC000877517346 635067285 /nfs/dbraw/zinc/06/72/85/635067285.db2.gz NGBYVTOKWDTZST-HOCLYGCPSA-N 1 0 277.408 3.216 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCC[C@H](CO)C1)c1ccc(C)cc1O ZINC000840893745 635077531 /nfs/dbraw/zinc/07/75/31/635077531.db2.gz LYJRZDSMIUEDLW-DZKIICNBSA-N 1 0 277.408 3.292 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCO[C@@H](C)C2)c(Cl)c1 ZINC000840908747 635080000 /nfs/dbraw/zinc/08/00/00/635080000.db2.gz WKGANINXRAAMCO-RYUDHWBXSA-N 1 0 283.799 3.259 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@](C)(CO)c1ccccc1 ZINC000840933675 635085123 /nfs/dbraw/zinc/08/51/23/635085123.db2.gz HHTYIZLINKJNSG-LJQANCHMSA-N 1 0 298.430 3.058 20 10 CGCDRO Cc1cc(O)c(C[NH+]2CCC(CCCO)CC2)c(Cl)c1 ZINC000840936772 635085494 /nfs/dbraw/zinc/08/54/94/635085494.db2.gz MERGJELAVQGPNL-UHFFFAOYSA-N 1 0 297.826 3.339 20 10 CGCDRO CC[C@@H]1C[N@H+](Cc2c(O)cc(C)cc2Cl)CCCO1 ZINC000840942507 635088284 /nfs/dbraw/zinc/08/82/84/635088284.db2.gz YIJUCEVAFSZUFU-GFCCVEGCSA-N 1 0 283.799 3.355 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000840942665 635088588 /nfs/dbraw/zinc/08/85/88/635088588.db2.gz RXHAYJUSMQDOCD-KRWDZBQOSA-N 1 0 295.430 3.446 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)[C@@H](O)c1ccccc1 ZINC000840946722 635089756 /nfs/dbraw/zinc/08/97/56/635089756.db2.gz NHPRJZRAEHPCRI-HNAYVOBHSA-N 1 0 298.430 3.273 20 10 CGCDRO COc1ccncc1C[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840951087 635090560 /nfs/dbraw/zinc/09/05/60/635090560.db2.gz YDYRJLJUDIKINE-UHFFFAOYSA-N 1 0 292.766 3.047 20 10 CGCDRO COCC(C)(C)C[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840950351 635090769 /nfs/dbraw/zinc/09/07/69/635090769.db2.gz MPJGKDICDGLBOG-UHFFFAOYSA-N 1 0 271.788 3.116 20 10 CGCDRO CS[C@H]1CC[N@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000840951178 635091436 /nfs/dbraw/zinc/09/14/36/635091436.db2.gz TVKGQBNIYCLVAD-JTQLQIEISA-N 1 0 271.813 3.291 20 10 CGCDRO COC[C@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)cc1C ZINC000840953319 635091893 /nfs/dbraw/zinc/09/18/93/635091893.db2.gz PPKZVEUKQBCVDH-QGZVFWFLSA-N 1 0 276.424 3.062 20 10 CGCDRO Cc1ccc(C[NH2+]C[C@@H]2CCO[C@@H](C(C)C)C2)c(O)c1 ZINC000877566167 635094426 /nfs/dbraw/zinc/09/44/26/635094426.db2.gz VUFUSJVUYOHXCE-RHSMWYFYSA-N 1 0 277.408 3.241 20 10 CGCDRO CCOc1cccc(C[NH2+][C@H](C)[C@](C)(OC)C2CC2)c1O ZINC000840962023 635094791 /nfs/dbraw/zinc/09/47/91/635094791.db2.gz ZXXYLRWKJAJMAQ-PXAZEXFGSA-N 1 0 293.407 3.084 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H](C)CC(F)(F)F)c1 ZINC000840964387 635095281 /nfs/dbraw/zinc/09/52/81/635095281.db2.gz RMVXJTGIOBNUHX-JTQLQIEISA-N 1 0 291.313 3.469 20 10 CGCDRO CC[C@H]([NH2+]Cc1cc(Cl)cc(C)c1O)[C@H](O)C(C)C ZINC000840967909 635095786 /nfs/dbraw/zinc/09/57/86/635095786.db2.gz KWPARNFFYWKYHG-UONOGXRCSA-N 1 0 285.815 3.239 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)[C@H]1CC1(F)F ZINC000840968447 635096163 /nfs/dbraw/zinc/09/61/63/635096163.db2.gz SBPGNTBUWVFXDZ-SMDDNHRTSA-N 1 0 268.351 3.194 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)[C@@H]1CC1(F)F ZINC000840967868 635096332 /nfs/dbraw/zinc/09/63/32/635096332.db2.gz KMADEDHSNKUMMG-KOLCDFICSA-N 1 0 272.314 3.025 20 10 CGCDRO Cc1cccc(O)c1CNc1ccc2c([nH+]1)CCC2 ZINC000877571793 635097315 /nfs/dbraw/zinc/09/73/15/635097315.db2.gz JQPPWLLNHQQSRX-UHFFFAOYSA-N 1 0 254.333 3.196 20 10 CGCDRO COc1cccc(C[N@@H+]2CC[C@@H](C3CCC3)C2)c1O ZINC000840979018 635098803 /nfs/dbraw/zinc/09/88/03/635098803.db2.gz UROIBVGMZVHPPC-CYBMUJFWSA-N 1 0 261.365 3.023 20 10 CGCDRO CN(C)c1ccc(CN(CC[NH2+]C(C)(C)C)C2CC2)cc1 ZINC000841004897 635105280 /nfs/dbraw/zinc/10/52/80/635105280.db2.gz RGTWWQSABXUUIY-UHFFFAOYSA-N 1 0 289.467 3.105 20 10 CGCDRO Cc1cc(C[NH2+]Cc2c(C)cccc2O)cc(C)n1 ZINC000877594298 635105944 /nfs/dbraw/zinc/10/59/44/635105944.db2.gz DKJHWPFXZPEEIZ-UHFFFAOYSA-N 1 0 256.349 3.002 20 10 CGCDRO CCOc1ccc(CNc2ccc([C@@H](C)[NH3+])cc2)c(O)c1 ZINC000841027670 635108455 /nfs/dbraw/zinc/10/84/55/635108455.db2.gz DZUPVDZFWQEPIH-GFCCVEGCSA-N 1 0 286.375 3.423 20 10 CGCDRO CC[NH2+]Cc1cccc(NCc2ccc(N(C)C)cc2)c1 ZINC000841044215 635113209 /nfs/dbraw/zinc/11/32/09/635113209.db2.gz XKDGRHXAWILARR-UHFFFAOYSA-N 1 0 283.419 3.474 20 10 CGCDRO CC[NH2+]Cc1ccccc1NCc1cc(C)ccc1O ZINC000841044204 635113674 /nfs/dbraw/zinc/11/36/74/635113674.db2.gz XHCYXONKSXKPEL-UHFFFAOYSA-N 1 0 270.376 3.422 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCCc3cc(N)ccc32)c1 ZINC000841057838 635116909 /nfs/dbraw/zinc/11/69/09/635116909.db2.gz KQKCMQXPAPDJHN-QGZVFWFLSA-N 1 0 282.387 3.450 20 10 CGCDRO C[C@@H](CCCC[NH3+])[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000841077770 635118801 /nfs/dbraw/zinc/11/88/01/635118801.db2.gz BDWZYJYWNJKTMQ-VIFPVBQESA-N 1 0 291.222 3.306 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000877633624 635123736 /nfs/dbraw/zinc/12/37/36/635123736.db2.gz OAZJOGPMKWZVIQ-YJBOKZPZSA-N 1 0 289.419 3.482 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCCC[C@@H]2F)c1O ZINC000877682541 635143571 /nfs/dbraw/zinc/14/35/71/635143571.db2.gz OGMAGXJGBHMLBY-NWDGAFQWSA-N 1 0 287.762 3.425 20 10 CGCDRO CCc1cccc(C[N@@H+]2CC[C@@H]3CSC[C@H]3C2)c1O ZINC000877740507 635174991 /nfs/dbraw/zinc/17/49/91/635174991.db2.gz VUHCHMPTISFJQB-HUUCEWRRSA-N 1 0 277.433 3.140 20 10 CGCDRO Oc1cccc(Cl)c1C[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000877740740 635175830 /nfs/dbraw/zinc/17/58/30/635175830.db2.gz TUXNPMZQXBOZBR-WDEREUQCSA-N 1 0 283.824 3.231 20 10 CGCDRO CC1(C)C[C@H](O)C[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000877753374 635182886 /nfs/dbraw/zinc/18/28/86/635182886.db2.gz YHZNLIGADCPYML-HNNXBMFYSA-N 1 0 285.387 3.138 20 10 CGCDRO Cc1nn(C(C)C)cc1C[NH2+][C@@H](C)c1ccccc1O ZINC000877758363 635187772 /nfs/dbraw/zinc/18/77/72/635187772.db2.gz WAOOGPCJDXBJST-ZDUSSCGKSA-N 1 0 273.380 3.329 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@@H]2C[C@H]3CCC[C@H]3O2)c1O ZINC000877805242 635208634 /nfs/dbraw/zinc/20/86/34/635208634.db2.gz JFZJPHGLGFNAGT-VNQPRFMTSA-N 1 0 275.392 3.002 20 10 CGCDRO Cc1csc([C@H]2CC[N@H+](Cc3cc(C)ccc3O)C2)n1 ZINC000877812960 635218385 /nfs/dbraw/zinc/21/83/85/635218385.db2.gz GYLOYFQGKNYDDB-ZDUSSCGKSA-N 1 0 288.416 3.455 20 10 CGCDRO Cc1csc([C@@H]2CC[N@H+](Cc3ccccc3O)C2)n1 ZINC000877812969 635218676 /nfs/dbraw/zinc/21/86/76/635218676.db2.gz HEBMWRHMCVDCDY-CYBMUJFWSA-N 1 0 274.389 3.147 20 10 CGCDRO C[C@H]([NH2+]C[C@@H](O)c1ccco1)c1ccc(Cl)cc1O ZINC000841743425 635220610 /nfs/dbraw/zinc/22/06/10/635220610.db2.gz GFYURXTTZQLHET-TVQRCGJNSA-N 1 0 281.739 3.023 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1O)c1ccn(C)n1 ZINC000841753229 635226604 /nfs/dbraw/zinc/22/66/04/635226604.db2.gz FHJQYYDRELSEAI-VHSXEESVSA-N 1 0 279.771 3.191 20 10 CGCDRO C[C@H]([NH2+]CCN1CCC[C@@H]1C)c1ccc(Cl)cc1O ZINC000841754847 635229100 /nfs/dbraw/zinc/22/91/00/635229100.db2.gz MONLOHTZGXFTFW-RYUDHWBXSA-N 1 0 282.815 3.181 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+][C@H]1COCc3ccccc31)CC2 ZINC000841755603 635230361 /nfs/dbraw/zinc/23/03/61/635230361.db2.gz KCQZKNCQFXDMAW-CVEARBPZSA-N 1 0 281.355 3.241 20 10 CGCDRO C[C@H]([NH2+][C@@H]1COCC1(C)C)c1ccc(Cl)cc1O ZINC000841757098 635231091 /nfs/dbraw/zinc/23/10/91/635231091.db2.gz MCRDKMJWMMGKSW-TVQRCGJNSA-N 1 0 269.772 3.121 20 10 CGCDRO CCOc1ccc(C[NH2+][C@H]2COCc3ccccc32)c(O)c1 ZINC000841890988 635247312 /nfs/dbraw/zinc/24/73/12/635247312.db2.gz LNGAZMJETGTQGY-KRWDZBQOSA-N 1 0 299.370 3.152 20 10 CGCDRO COc1cc(C[N@@H+]2CC[C@H](c3cccnc3)C2)c(O)cc1C ZINC000842629640 635419953 /nfs/dbraw/zinc/41/99/53/635419953.db2.gz WRWCRVQJEDIQFQ-HNNXBMFYSA-N 1 0 298.386 3.094 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)cc1C(C)C ZINC000842625607 635420186 /nfs/dbraw/zinc/42/01/86/635420186.db2.gz PYTXLYLMTCPMOT-KDOFPFPSSA-N 1 0 289.419 3.435 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+](C)C[C@@](C)(O)c2ccccc2)c1 ZINC000842628537 635420752 /nfs/dbraw/zinc/42/07/52/635420752.db2.gz WXFKKEOKUMVBLB-LJQANCHMSA-N 1 0 299.414 3.349 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CC2CCC(F)CC2)cc1 ZINC000842773950 635468899 /nfs/dbraw/zinc/46/88/99/635468899.db2.gz BFQMLOLBOAKSLR-UHFFFAOYSA-N 1 0 264.388 3.371 20 10 CGCDRO Cc1cc(O)c(CN2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cc1C ZINC000843048159 635549475 /nfs/dbraw/zinc/54/94/75/635549475.db2.gz QJGYSSMCQMPQLG-IRXDYDNUSA-N 1 0 288.435 3.116 20 10 CGCDRO CCCN(CCC)c1ccc(CN2CC[C@H]([NH2+]C)C2)cc1 ZINC000843044438 635550499 /nfs/dbraw/zinc/55/04/99/635550499.db2.gz BYYIIBFAFHAACR-KRWDZBQOSA-N 1 0 289.467 3.107 20 10 CGCDRO c1cc(N2CCCCC2)ccc1CN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000843055169 635551851 /nfs/dbraw/zinc/55/18/51/635551851.db2.gz FKNRPAAZKIFABE-MSOLQXFVSA-N 1 0 299.462 3.003 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)Cc2ccc(N)nc2)cc1 ZINC000843060107 635555209 /nfs/dbraw/zinc/55/52/09/635555209.db2.gz CVMPGOOGCIXXPM-UHFFFAOYSA-N 1 0 298.434 3.142 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C2(c3ccccc3C)CC2)c1 ZINC000843419362 635664810 /nfs/dbraw/zinc/66/48/10/635664810.db2.gz UFGKEUNMKVCEHO-UHFFFAOYSA-N 1 0 283.371 3.488 20 10 CGCDRO COC(=O)c1cc(C[NH2+][C@@H](C)c2ccccc2O)ccc1C ZINC000879650189 635826733 /nfs/dbraw/zinc/82/67/33/635826733.db2.gz NLOCUEGSXIFOBA-ZDUSSCGKSA-N 1 0 299.370 3.338 20 10 CGCDRO C[C@H](c1cccnc1)N1CCCc2cc(C[NH3+])ccc21 ZINC000844219207 635832975 /nfs/dbraw/zinc/83/29/75/635832975.db2.gz IKBZHYYDVDGNLD-CYBMUJFWSA-N 1 0 267.376 3.054 20 10 CGCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@]3(CC3(F)F)C1)CCC2 ZINC000844760345 635959498 /nfs/dbraw/zinc/95/94/98/635959498.db2.gz QGUDTHHNBXKXDL-HNNXBMFYSA-N 1 0 279.330 3.112 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CNc2ccccc2C1)c1ccccc1O ZINC000844921846 635985207 /nfs/dbraw/zinc/98/52/07/635985207.db2.gz VMMCYBDFDXIVHT-ZBFHGGJFSA-N 1 0 282.387 3.470 20 10 CGCDRO CC[C@H]([NH2+]CCC1CC[NH2+]CC1)c1cccc(Cl)c1[O-] ZINC000844927395 635987003 /nfs/dbraw/zinc/98/70/03/635987003.db2.gz ZSIQDZUSAKOCOY-HNNXBMFYSA-N 1 0 296.842 3.476 20 10 CGCDRO CCC[N@H+](Cc1cnoc1C)Cc1ccccc1O ZINC000128752132 636070092 /nfs/dbraw/zinc/07/00/92/636070092.db2.gz BFZFZWZWIXCBMV-UHFFFAOYSA-N 1 0 260.337 3.101 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CC(C)(C)OC[C@@H]2CC)c(O)c1 ZINC000846028057 636132138 /nfs/dbraw/zinc/13/21/38/636132138.db2.gz VMUAJHBWLLFWGY-AWEZNQCLSA-N 1 0 293.407 3.180 20 10 CGCDRO C[C@@]1(CC[NH2+]Cc2ccccc2O)C[C@]1(F)Cl ZINC000846040211 636135815 /nfs/dbraw/zinc/13/58/15/636135815.db2.gz WZOKMUCJAJQXAO-CHWSQXEVSA-N 1 0 257.736 3.187 20 10 CGCDRO COC1(C[C@@H](C)[NH2+]Cc2cc(Cl)ccc2O)CCC1 ZINC000846056703 636139912 /nfs/dbraw/zinc/13/99/12/636139912.db2.gz XYYOHSNLOAYNHM-LLVKDONJSA-N 1 0 283.799 3.483 20 10 CGCDRO COc1cccc(C[N@@H+]2CCC[C@]3(CC3(F)F)C2)c1O ZINC000846107114 636143929 /nfs/dbraw/zinc/14/39/29/636143929.db2.gz FNFKMWJIYCNZFA-AWEZNQCLSA-N 1 0 283.318 3.022 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]CCOC2CCCC2)c1O ZINC000846143306 636149240 /nfs/dbraw/zinc/14/92/40/636149240.db2.gz ZAKLIMUAIQJXPW-LBPRGKRZSA-N 1 0 279.380 3.011 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]CC(C2CC2)C2CC2)c1O ZINC000846144659 636149322 /nfs/dbraw/zinc/14/93/22/636149322.db2.gz IFLQQFOXURXHLL-NSHDSACASA-N 1 0 275.392 3.488 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2CC=CCC2)c1O ZINC000846142903 636149343 /nfs/dbraw/zinc/14/93/43/636149343.db2.gz GNKIHYKXNVKGLI-QWHCGFSZSA-N 1 0 261.365 3.408 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]Cc2scnc2C)c1O ZINC000846144941 636149480 /nfs/dbraw/zinc/14/94/80/636149480.db2.gz KWTOGRCBKDDZIF-VIFPVBQESA-N 1 0 278.377 3.017 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)c1O ZINC000846150896 636149905 /nfs/dbraw/zinc/14/99/05/636149905.db2.gz SNYJKOPLKSGVSF-MHEUCROKSA-N 1 0 291.391 3.009 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]Cc2cnc(C)s2)c1O ZINC000846147764 636149918 /nfs/dbraw/zinc/14/99/18/636149918.db2.gz VXKMUCWVEMRPFH-SECBINFHSA-N 1 0 278.377 3.017 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]CCc2cnc(C)s2)c1O ZINC000846154509 636150384 /nfs/dbraw/zinc/15/03/84/636150384.db2.gz ACRGCBOPGKXZAT-SNVBAGLBSA-N 1 0 292.404 3.059 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](C)c2ccncc2)c1O ZINC000846151136 636150535 /nfs/dbraw/zinc/15/05/35/636150535.db2.gz UOOXNOPFOKCNBE-CHWSQXEVSA-N 1 0 286.375 3.250 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]CCOCC2CCCC2)c1O ZINC000846168604 636152344 /nfs/dbraw/zinc/15/23/44/636152344.db2.gz KYSMENBQDDWLFE-CYBMUJFWSA-N 1 0 293.407 3.258 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]Cc2cnc(C)cc2C)c1O ZINC000846169700 636152852 /nfs/dbraw/zinc/15/28/52/636152852.db2.gz RVGWVGAAGPKAQT-ZDUSSCGKSA-N 1 0 286.375 3.263 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]CCCC(C)(F)F)c1O ZINC000846169070 636153151 /nfs/dbraw/zinc/15/31/51/636153151.db2.gz FPJPJLRUEHPAGT-JTQLQIEISA-N 1 0 273.323 3.487 20 10 CGCDRO CCOCC(C)(C)C[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846173989 636153625 /nfs/dbraw/zinc/15/36/25/636153625.db2.gz VUEUSBHSERHXLR-GFCCVEGCSA-N 1 0 281.396 3.114 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2F)c1O ZINC000846175366 636153939 /nfs/dbraw/zinc/15/39/39/636153939.db2.gz YUPSUBQNSKNOIQ-CYZMBNFOSA-N 1 0 267.344 3.332 20 10 CGCDRO CCOc1cccc(C[NH2+]Cc2cc(F)cc(F)c2[O-])c1 ZINC000882893816 636450588 /nfs/dbraw/zinc/45/05/88/636450588.db2.gz CPYDGUZMHZUEBX-UHFFFAOYSA-N 1 0 293.313 3.359 20 10 CGCDRO Cc1cnc(C(C)(C)[NH2+]Cc2cc(F)cc(F)c2[O-])s1 ZINC000883030509 636512814 /nfs/dbraw/zinc/51/28/14/636512814.db2.gz LLHCDJUOEIOVDY-UHFFFAOYSA-N 1 0 298.358 3.460 20 10 CGCDRO C[C@@H]1CC[C@@H]([NH2+]CCCSc2nccs2)CS1 ZINC000848528051 636590091 /nfs/dbraw/zinc/59/00/91/636590091.db2.gz JINPQYGHFDJIDB-GHMZBOCLSA-N 1 0 288.507 3.499 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@H]2C[C@H](OC(C)(C)C)C2)c1 ZINC000848566838 636609602 /nfs/dbraw/zinc/60/96/02/636609602.db2.gz KIDMWNXDIZWUQT-CTYIDZIISA-N 1 0 293.407 3.227 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)c1cccc(OC)c1O)[C@H]1CCCCO1 ZINC000848567981 636610565 /nfs/dbraw/zinc/61/05/65/636610565.db2.gz VHLHUZWQBZCOPM-AEGPPILISA-N 1 0 293.407 3.399 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCCN2CCCC[C@@H]12)c1ccccc1O ZINC000848568582 636612066 /nfs/dbraw/zinc/61/20/66/636612066.db2.gz MIDJPJQWTSNSBX-BBWFWOEESA-N 1 0 288.435 3.450 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)[C@H]1CCCCO1 ZINC000848575875 636614047 /nfs/dbraw/zinc/61/40/47/636614047.db2.gz XLJBCIULCGKXAG-NVXWUHKLSA-N 1 0 294.414 3.329 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)[C@H]1CCCCO1 ZINC000848575874 636614629 /nfs/dbraw/zinc/61/46/29/636614629.db2.gz XLJBCIULCGKXAG-DOTOQJQBSA-N 1 0 294.414 3.329 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCc2ccns2)c(O)c1 ZINC000883247455 636616510 /nfs/dbraw/zinc/61/65/10/636616510.db2.gz KRTXXLYKYBWYOH-LBPRGKRZSA-N 1 0 276.405 3.359 20 10 CGCDRO CO[C@H]1C[C@H](C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)C1 ZINC000883272740 636644022 /nfs/dbraw/zinc/64/40/22/636644022.db2.gz VARGYVOUVPZDCT-IHRRRGAJSA-N 1 0 263.381 3.085 20 10 CGCDRO COC[C@H]1C[C@@H]([NH2+][C@@H](C)c2c(C)cc(C)cc2O)C1 ZINC000883319623 636670472 /nfs/dbraw/zinc/67/04/72/636670472.db2.gz JQDKNNJOMJJYCW-MELADBBJSA-N 1 0 263.381 3.085 20 10 CGCDRO CCc1cccc(C[NH2+]Cc2ccc(Cl)nc2)c1O ZINC000848895690 636678786 /nfs/dbraw/zinc/67/87/86/636678786.db2.gz WDZNPGDVRLYUSY-UHFFFAOYSA-N 1 0 276.767 3.293 20 10 CGCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(CC)c2O)C12CCC2 ZINC000848897003 636679571 /nfs/dbraw/zinc/67/95/71/636679571.db2.gz LYWIGHWGXDDEJD-HZPDHXFCSA-N 1 0 289.419 3.392 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@@H](C)c2ccncc2)c1O ZINC000848896828 636679760 /nfs/dbraw/zinc/67/97/60/636679760.db2.gz AZFIISHBLMPSIR-CYBMUJFWSA-N 1 0 270.376 3.243 20 10 CGCDRO CCc1cccc(C[NH2+][C@H](C)CCc2cccn2C)c1O ZINC000848896645 636679924 /nfs/dbraw/zinc/67/99/24/636679924.db2.gz FUDRGOZCDDMAAE-CQSZACIVSA-N 1 0 286.419 3.404 20 10 CGCDRO CCc1cccc(C[NH2+]CC2([C@H](C)CCO)CCC2)c1O ZINC000848900548 636681294 /nfs/dbraw/zinc/68/12/94/636681294.db2.gz NPRRTFUPXKWQCP-CQSZACIVSA-N 1 0 291.435 3.233 20 10 CGCDRO CCc1cccc(C[NH2+]Cc2nccn2CC(C)C)c1O ZINC000848901031 636681821 /nfs/dbraw/zinc/68/18/21/636681821.db2.gz UCMDYGDCSVKGNC-UHFFFAOYSA-N 1 0 287.407 3.097 20 10 CGCDRO CCc1cccc(C[NH2+]Cc2ccc3cnn(C)c3c2)c1O ZINC000848913489 636687460 /nfs/dbraw/zinc/68/74/60/636687460.db2.gz YHDHZAPMMTVKCZ-UHFFFAOYSA-N 1 0 295.386 3.131 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@@H]2CCOC(C)(C)C2)c1O ZINC000848915521 636688393 /nfs/dbraw/zinc/68/83/93/636688393.db2.gz XANHIBPMRYINHK-CYBMUJFWSA-N 1 0 277.408 3.249 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H](COC)C(C)C)cc1 ZINC000086683391 636782749 /nfs/dbraw/zinc/78/27/49/636782749.db2.gz YNLREKXTADVIKT-QGZVFWFLSA-N 1 0 278.440 3.293 20 10 CGCDRO CC(C)CN(CC[NH+](C)C)Cc1c(O)cccc1Cl ZINC000132549387 636817765 /nfs/dbraw/zinc/81/77/65/636817765.db2.gz JTBCPYKJQGVYHJ-UHFFFAOYSA-N 1 0 284.831 3.065 20 10 CGCDRO Cc1cc(Br)cc(C[NH2+][C@@H](C)C2CC2)c1O ZINC000132566104 636820769 /nfs/dbraw/zinc/82/07/69/636820769.db2.gz LXQIJZHBCRKAPH-VIFPVBQESA-N 1 0 284.197 3.351 20 10 CGCDRO COc1cc(C[NH2+][C@H](C)[C@@H](C)OC)c(O)c(C(C)(C)C)c1 ZINC000850304487 637011318 /nfs/dbraw/zinc/01/13/18/637011318.db2.gz LVPBBUHNJJDUFJ-VXGBXAGGSA-N 1 0 295.423 3.211 20 10 CGCDRO CC[C@@H]1C[C@H]([NH2+][C@@H](C)Cc2ccc(N(C)C)cc2C)CO1 ZINC000850328642 637017365 /nfs/dbraw/zinc/01/73/65/637017365.db2.gz WRULPCCQSMKFOD-QILLFSRXSA-N 1 0 290.451 3.149 20 10 CGCDRO CC[C@@H](COCC1CC1)[NH2+]Cc1cc(Cl)ccc1O ZINC000850350047 637022879 /nfs/dbraw/zinc/02/28/79/637022879.db2.gz NNAXMBSIBCNNIB-AWEZNQCLSA-N 1 0 283.799 3.340 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]CC1CCSCC1 ZINC000134608890 637030605 /nfs/dbraw/zinc/03/06/05/637030605.db2.gz AZPJOQYCNIHGFK-UHFFFAOYSA-N 1 0 271.813 3.278 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCc3ccc(O)cc32)c1 ZINC000850387573 637043192 /nfs/dbraw/zinc/04/31/92/637043192.db2.gz UYYDNDNKKSVJNE-MRXNPFEDSA-N 1 0 269.344 3.183 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+]CC2SCCS2)cc1 ZINC000850402092 637048515 /nfs/dbraw/zinc/04/85/15/637048515.db2.gz OJBOOMMQSCYWAL-ARJAWSKDSA-N 1 0 294.489 3.162 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CCCc2ccco2)cc1F ZINC000850407438 637050695 /nfs/dbraw/zinc/05/06/95/637050695.db2.gz IDSOWAZQVGMWFI-UHFFFAOYSA-N 1 0 276.355 3.207 20 10 CGCDRO C[C@H]([NH2+]CCCF)c1cc(Br)ccc1O ZINC000134935531 637053519 /nfs/dbraw/zinc/05/35/19/637053519.db2.gz DOCQSTRWDQJEAN-QMMMGPOBSA-N 1 0 276.149 3.165 20 10 CGCDRO C[C@H](O)[C@@H]([NH2+]Cc1cc(Cl)ccc1O)c1ccccc1 ZINC000850419137 637054127 /nfs/dbraw/zinc/05/41/27/637054127.db2.gz BVOVALDKPSINFT-MEDUHNTESA-N 1 0 291.778 3.257 20 10 CGCDRO CCOC1CCC([NH2+]Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000850430243 637058974 /nfs/dbraw/zinc/05/89/74/637058974.db2.gz KFHBQJZUKQRJSD-UHFFFAOYSA-N 1 0 294.414 3.329 20 10 CGCDRO CC[C@@H]([NH2+][C@H]1CCN(c2ccc(OC)cc2)C1)C(C)C ZINC000850488420 637088062 /nfs/dbraw/zinc/08/80/62/637088062.db2.gz MQOXREBUEZPNNN-WMLDXEAASA-N 1 0 276.424 3.298 20 10 CGCDRO CC[C@H](COCC1CC1)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000850494425 637089839 /nfs/dbraw/zinc/08/98/39/637089839.db2.gz PFHFXJZINRICFV-GXTWGEPZSA-N 1 0 293.407 3.257 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)c2cscn2)c1O ZINC000850511263 637097225 /nfs/dbraw/zinc/09/72/25/637097225.db2.gz ARVFIDLSTVPYJO-ZJUUUORDSA-N 1 0 278.377 3.269 20 10 CGCDRO COc1cccc(F)c1[C@H](C)[NH2+]Cc1ccccc1O ZINC000135224818 637098620 /nfs/dbraw/zinc/09/86/20/637098620.db2.gz UDEFATDSHFORGL-NSHDSACASA-N 1 0 275.323 3.391 20 10 CGCDRO CCO[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc(N(C)CC)cc2)C1 ZINC000850515612 637099401 /nfs/dbraw/zinc/09/94/01/637099401.db2.gz ZNOGBIGANVPWKV-QRTARXTBSA-N 1 0 276.424 3.361 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2C[C@@H](O)c3ccccc32)c1O ZINC000850526305 637105671 /nfs/dbraw/zinc/10/56/71/637105671.db2.gz PENHAFJHASPHIW-IUIKQTSFSA-N 1 0 299.370 3.230 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2C[C@@H](O)c3ccccc32)c1 ZINC000850528765 637107674 /nfs/dbraw/zinc/10/76/74/637107674.db2.gz MUELBNVHBVNRKR-SDDDUWNISA-N 1 0 299.370 3.230 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2c(C3CC3)cnn2C)c(O)c1 ZINC000850534280 637111608 /nfs/dbraw/zinc/11/16/08/637111608.db2.gz ISQRSBTZRCXFHN-CYBMUJFWSA-N 1 0 299.418 3.471 20 10 CGCDRO C[C@H](CN1CCC(C)CC1)[NH2+][C@@H](C)c1ccccc1O ZINC000850543234 637115452 /nfs/dbraw/zinc/11/54/52/637115452.db2.gz GTCTZPKAJRGFOH-CABCVRRESA-N 1 0 276.424 3.163 20 10 CGCDRO CC[C@H]([NH2+][C@H]1C[C@@H](O)C12CCC2)c1ccc(N(C)C)cc1 ZINC000850548054 637116854 /nfs/dbraw/zinc/11/68/54/637116854.db2.gz XWNHQCXUOWAHPZ-YESZJQIVSA-N 1 0 288.435 3.097 20 10 CGCDRO CC[C@@H]([NH2+]CC1(O)CCC(F)(F)CC1)c1ccccc1O ZINC000850565657 637127062 /nfs/dbraw/zinc/12/70/62/637127062.db2.gz DXHWGOAPPDASKF-CYBMUJFWSA-N 1 0 299.361 3.373 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCOC2(C)C)c2c1c(F)ccc2O ZINC000850571195 637128825 /nfs/dbraw/zinc/12/88/25/637128825.db2.gz OODCZPLIZNVHJV-MDZLAQPJSA-N 1 0 293.382 3.484 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H](C)c2nccn2C)c(O)c1 ZINC000850572299 637129702 /nfs/dbraw/zinc/12/97/02/637129702.db2.gz JIPXZGZMICNGJE-STQMWFEESA-N 1 0 273.380 3.154 20 10 CGCDRO C[C@H](O)[C@H]([NH2+][C@H]1CCc2cccc(O)c21)c1ccccc1 ZINC000850583937 637132846 /nfs/dbraw/zinc/13/28/46/637132846.db2.gz OORWMIWPAZOKTM-QITLCBANSA-N 1 0 283.371 3.091 20 10 CGCDRO CO[C@H]1CCC[C@@H]([NH2+]Cc2ccc(N(C)C)cc2C)CC1 ZINC000885989256 637344342 /nfs/dbraw/zinc/34/43/42/637344342.db2.gz ZOMKLPGUHCMLOY-AEFFLSMTSA-N 1 0 290.451 3.498 20 10 CGCDRO CCC[N@H+](CC[C@H]1COC(C)(C)O1)Cc1ccccc1O ZINC000851792962 637504637 /nfs/dbraw/zinc/50/46/37/637504637.db2.gz VJPWMMTWQHJQOY-HNNXBMFYSA-N 1 0 293.407 3.146 20 10 CGCDRO CC[C@H]([NH2+]Cc1cccc(N)c1)c1ccccc1O ZINC000851904015 637539991 /nfs/dbraw/zinc/53/99/91/637539991.db2.gz YNPPNXWMMIBRIV-HNNXBMFYSA-N 1 0 256.349 3.215 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@H](C)[C@H]2CCO)cc1 ZINC000852460102 637654921 /nfs/dbraw/zinc/65/49/21/637654921.db2.gz ANGLHBCHFITHHR-MAUKXSAKSA-N 1 0 290.451 3.126 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CC3(CCC3)CO2)c1 ZINC000886701978 637665193 /nfs/dbraw/zinc/66/51/93/637665193.db2.gz YHWRGJYZTIVJEW-KBPBESRZSA-N 1 0 275.392 3.310 20 10 CGCDRO COc1cccc(C[NH2+]CC(C)(C)CC(F)(F)F)c1O ZINC000853096259 637756499 /nfs/dbraw/zinc/75/64/99/637756499.db2.gz UXPXTAODIWWJNZ-UHFFFAOYSA-N 1 0 291.313 3.469 20 10 CGCDRO CCCN(CCC)c1ccc(C[NH2+]CC(C)(C)O)cc1 ZINC000111385551 637860335 /nfs/dbraw/zinc/86/03/35/637860335.db2.gz KGWLOIYHEZRVRD-UHFFFAOYSA-N 1 0 278.440 3.174 20 10 CGCDRO COc1cccc(C[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)c1O ZINC000111398481 637861888 /nfs/dbraw/zinc/86/18/88/637861888.db2.gz HOZNHDZYFVFPKS-JKSUJKDBSA-N 1 0 283.371 3.294 20 10 CGCDRO C[C@@]12COC[C@@H]1C[N@H+](Cc1c(O)ccc3ccccc31)C2 ZINC000853565974 637868205 /nfs/dbraw/zinc/86/82/05/637868205.db2.gz LGJMPWCOBGGRNS-KBXCAEBGSA-N 1 0 283.371 3.014 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2[C@@H](C)COC[C@H]2C)cc1 ZINC000924707826 638392165 /nfs/dbraw/zinc/39/21/65/638392165.db2.gz ATGOWYMYPJNPRW-HWWDLCQESA-N 1 0 290.451 3.293 20 10 CGCDRO Cc1ccc([C@H](C)[N@@H+]2CCOc3ccc(N)cc3C2)c(O)c1 ZINC000925755145 638597896 /nfs/dbraw/zinc/59/78/96/638597896.db2.gz SJLYRRXAWLFNPX-ZDUSSCGKSA-N 1 0 298.386 3.238 20 10 CGCDRO C[C@H]([NH2+]CC[C@@H]1CCCOC1)c1ccc(N(C)C)cc1 ZINC000858445153 638721756 /nfs/dbraw/zinc/72/17/56/638721756.db2.gz BDGFSXIKNGWJIK-GJZGRUSLSA-N 1 0 276.424 3.220 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](CO)CCC(C)C)c1 ZINC000858484841 638736255 /nfs/dbraw/zinc/73/62/55/638736255.db2.gz CPUJHGLEUSSMJB-KBPBESRZSA-N 1 0 265.397 3.148 20 10 CGCDRO CC(C)CC[C@H](CO)[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000858485502 638737734 /nfs/dbraw/zinc/73/77/34/638737734.db2.gz NUEUHGDKAAENRP-BZPMIXESSA-N 1 0 295.398 3.466 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CO[C@@H](C3CC3)C2)c(O)c1 ZINC000858548638 638759268 /nfs/dbraw/zinc/75/92/68/638759268.db2.gz WJBRUXXADZWKCN-DUVNUKRYSA-N 1 0 275.392 3.227 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+][C@H]1CCCc3cccnc31)CC2 ZINC000927063946 638836598 /nfs/dbraw/zinc/83/65/98/638836598.db2.gz MHBQRCFPOBXEGE-CABCVRRESA-N 1 0 280.371 3.442 20 10 CGCDRO CC(C)[C@H]([NH2+][C@@H](C)c1ccccc1O)c1cnn(C)c1 ZINC000927072176 638838482 /nfs/dbraw/zinc/83/84/82/638838482.db2.gz WVZUHQQDDRRUNZ-LRDDRELGSA-N 1 0 273.380 3.174 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cc(C3CC3)n(C)n2)c(O)c1 ZINC000927109689 638843038 /nfs/dbraw/zinc/84/30/38/638843038.db2.gz VMTIXZMMPYHVPH-GFCCVEGCSA-N 1 0 285.391 3.162 20 10 CGCDRO CCC[N@H+](Cc1ccccc1O)[C@@H](C)c1ncccn1 ZINC000929753130 638947114 /nfs/dbraw/zinc/94/71/14/638947114.db2.gz LYVIMWGZJVZPJT-ZDUSSCGKSA-N 1 0 271.364 3.155 20 10 CGCDRO C[C@H](C[N@H+](C)Cc1ccccc1O)C(=O)c1ccc(O)cc1 ZINC000929974766 638965509 /nfs/dbraw/zinc/96/55/09/638965509.db2.gz APIMCTOROJTQKI-CYBMUJFWSA-N 1 0 299.370 3.049 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(C)cc(C)n2)c1 ZINC000930216804 638983471 /nfs/dbraw/zinc/98/34/71/638983471.db2.gz OEAOMSKABMANRJ-CYBMUJFWSA-N 1 0 286.375 3.263 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccnc(F)c1)c1ccccc1O ZINC000859232228 639116779 /nfs/dbraw/zinc/11/67/79/639116779.db2.gz IBXZPKNPONVWRH-CYBMUJFWSA-N 1 0 260.312 3.167 20 10 CGCDRO CCN(C)c1ccc(C[N@H+](C)CC(O)(CC)CC)cc1 ZINC000860064946 639277642 /nfs/dbraw/zinc/27/76/42/639277642.db2.gz FGIYZNCWFKBEIY-UHFFFAOYSA-N 1 0 278.440 3.126 20 10 CGCDRO Cc1cc(C[N@@H+]2CCC[C@@H]2c2ccnn2C)ccc1N(C)C ZINC000932261378 639304998 /nfs/dbraw/zinc/30/49/98/639304998.db2.gz OVCLITNGWAKEGE-GOSISDBHSA-N 1 0 298.434 3.132 20 10 CGCDRO C[C@@H]1CCCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000187514272 639692681 /nfs/dbraw/zinc/69/26/81/639692681.db2.gz XXWJXHKKVKLQGP-MRXNPFEDSA-N 1 0 288.435 3.145 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCCN(C)C1)c1ccc2ccccc2c1O ZINC000040671903 639895912 /nfs/dbraw/zinc/89/59/12/639895912.db2.gz FGJSSWKLHKKVLW-ZFWWWQNUSA-N 1 0 284.403 3.290 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]Cc1cccc2c1OCO2 ZINC000040667012 639896396 /nfs/dbraw/zinc/89/63/96/639896396.db2.gz NOMYEHDOZBRMNT-UHFFFAOYSA-N 1 0 291.734 3.064 20 10 CGCDRO C[C@@H]([NH2+]Cc1cnn(C)c1)c1ccc2ccccc2c1O ZINC000041158833 639901225 /nfs/dbraw/zinc/90/12/25/639901225.db2.gz QCBXOWVRDKVRKE-GFCCVEGCSA-N 1 0 281.359 3.130 20 10 CGCDRO Oc1ccccc1CNc1ccc(-n2ccnc2)cc1 ZINC000155942467 639959005 /nfs/dbraw/zinc/95/90/05/639959005.db2.gz UXDANUWDXSCLGN-UHFFFAOYSA-N 1 0 265.316 3.190 20 10 CGCDRO Cc1cccc(C[NH2+]C[C@@H]2CCCCS2)c1O ZINC000158813265 640019217 /nfs/dbraw/zinc/01/92/17/640019217.db2.gz PGIOUQJQXPNADL-ZDUSSCGKSA-N 1 0 251.395 3.076 20 10 CGCDRO COc1cnccc1[C@H](C)[NH2+]Cc1cc(C)c(C)cc1O ZINC000189560490 640199638 /nfs/dbraw/zinc/19/96/38/640199638.db2.gz GBPXZPFBOGLVHI-ZDUSSCGKSA-N 1 0 286.375 3.263 20 10 CGCDRO COc1cccc(C[NH2+][C@H]2CCC[C@@H](C)CC2)c1O ZINC000191112934 640290157 /nfs/dbraw/zinc/29/01/57/640290157.db2.gz DVEPEKVWUQHAOT-OCCSQVGLSA-N 1 0 263.381 3.459 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](CO)Cc2ccccc2C)c1 ZINC000191566850 640319629 /nfs/dbraw/zinc/31/96/29/640319629.db2.gz DZGNGOCGFFKIOO-WBVHZDCISA-N 1 0 299.414 3.263 20 10 CGCDRO CC(C)=CC[NH2+]Cc1cc(Br)ccc1O ZINC000191627481 640323431 /nfs/dbraw/zinc/32/34/31/640323431.db2.gz PQRZAOIAAXVLSP-UHFFFAOYSA-N 1 0 270.170 3.211 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCS[C@H](C)CC2)c1 ZINC000191662682 640325905 /nfs/dbraw/zinc/32/59/05/640325905.db2.gz YFOZNDSVEWDWIR-CYBMUJFWSA-N 1 0 265.422 3.336 20 10 CGCDRO CC[C@@H](COC)[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC000079736437 640425527 /nfs/dbraw/zinc/42/55/27/640425527.db2.gz ICLDPMRGSUEZAZ-HNNXBMFYSA-N 1 0 264.413 3.047 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H](CO)C(C)(C)C)cc1 ZINC000194633123 640544618 /nfs/dbraw/zinc/54/46/18/640544618.db2.gz DIKBLZPLAKFTAK-MRXNPFEDSA-N 1 0 278.440 3.029 20 10 CGCDRO CCOc1cccc(C[NH+]2C[C@H]3CCCC[C@@H]3C2)c1O ZINC000093441973 640770487 /nfs/dbraw/zinc/77/04/87/640770487.db2.gz MTVXJCHXLKEJHQ-ZIAGYGMSSA-N 1 0 275.392 3.413 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H](C)C[C@@H](O)c2ccco2)cc1C ZINC000305714041 640899849 /nfs/dbraw/zinc/89/98/49/640899849.db2.gz GKMVLJUNRZYXNU-XJKSGUPXSA-N 1 0 289.375 3.204 20 10 CGCDRO COc1cccc(CC[NH2+]Cc2c(O)cccc2Cl)c1 ZINC000113322874 640974821 /nfs/dbraw/zinc/97/48/21/640974821.db2.gz MZJMFKWGUISQEL-UHFFFAOYSA-N 1 0 291.778 3.387 20 10 CGCDRO Cc1cccc(CC[NH2+][C@@H](C)c2cc(F)ccc2O)n1 ZINC000280258225 641035464 /nfs/dbraw/zinc/03/54/64/641035464.db2.gz XBRSIUKAQZDQDY-LBPRGKRZSA-N 1 0 274.339 3.128 20 10 CGCDRO CC[N@@H+](Cc1ccccc1O)C[C@H](O)c1ccc(F)cc1 ZINC001252850021 806130833 /nfs/dbraw/zinc/13/08/33/806130833.db2.gz OQOAUJJRMHRANU-KRWDZBQOSA-N 1 0 289.350 3.087 20 10 CGCDRO Nc1ccc(Nc2ccccc2OC2CC[NH2+]CC2)cc1 ZINC001159796664 806176464 /nfs/dbraw/zinc/17/64/64/806176464.db2.gz WXFLEGVULRFJDG-UHFFFAOYSA-N 1 0 283.375 3.143 20 10 CGCDRO CO[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001254197307 806363554 /nfs/dbraw/zinc/36/35/54/806363554.db2.gz WWJAZYVASHWJKB-AEFFLSMTSA-N 1 0 288.435 3.192 20 10 CGCDRO COC1CCC([NH2+]Cc2c(C)cc(C)cc2O)CC1 ZINC001255452277 806642005 /nfs/dbraw/zinc/64/20/05/806642005.db2.gz MOUHIWDRWOPGPQ-UHFFFAOYSA-N 1 0 263.381 3.056 20 10 CGCDRO Cc1cc(C)c(C[NH2+][C@@H]2CCOC(C)(C)C2)c(O)c1 ZINC001255532656 806666135 /nfs/dbraw/zinc/66/61/35/806666135.db2.gz FAUHIUJPNCVMSK-CYBMUJFWSA-N 1 0 263.381 3.056 20 10 CGCDRO COC[C@@H](C)[NH2+][C@@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001255568197 806675716 /nfs/dbraw/zinc/67/57/16/806675716.db2.gz RWTAOBRPSINUSK-MLGOLLRUSA-N 1 0 277.408 3.257 20 10 CGCDRO COc1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)c(O)c1 ZINC000093442223 798964323 /nfs/dbraw/zinc/96/43/23/798964323.db2.gz VUAWNKBGWRGSMK-BETUJISGSA-N 1 0 261.365 3.023 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCCCC2(C)C)c1 ZINC000094323214 798969604 /nfs/dbraw/zinc/96/96/04/798969604.db2.gz XEBDHFJFFZKUJB-OAHLLOKOSA-N 1 0 263.381 3.459 20 10 CGCDRO Cc1ncccc1C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000155190726 799062054 /nfs/dbraw/zinc/06/20/54/799062054.db2.gz QVYVPECSMWWATO-UHFFFAOYSA-N 1 0 269.392 3.088 20 10 CGCDRO Oc1ccccc1C[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000160989246 799078498 /nfs/dbraw/zinc/07/84/98/799078498.db2.gz IAINIVLEUXIMMJ-UHFFFAOYSA-N 1 0 265.715 3.475 20 10 CGCDRO Oc1ccccc1C[NH2+]Cc1cccc2cnccc21 ZINC000167384565 799085339 /nfs/dbraw/zinc/08/53/39/799085339.db2.gz HUOIITFYLUWIEI-UHFFFAOYSA-N 1 0 264.328 3.230 20 10 CGCDRO CC[C@@H]1CC[C@@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000310019118 799221629 /nfs/dbraw/zinc/22/16/29/799221629.db2.gz MIDSYXLVDCYSBA-SKDRFNHKSA-N 1 0 284.197 3.433 20 10 CGCDRO Cc1cccc(OCC[NH2+][C@H]2CCc3cccc(O)c32)c1 ZINC000315431820 799236283 /nfs/dbraw/zinc/23/62/83/799236283.db2.gz IUZAPXSCUVKGIU-INIZCTEOSA-N 1 0 283.371 3.357 20 10 CGCDRO COc1ccc(CCN2CCCc3cc(C[NH3+])ccc32)cc1 ZINC000315704562 799238250 /nfs/dbraw/zinc/23/82/50/799238250.db2.gz GMQRIPPOEGXYMO-UHFFFAOYSA-N 1 0 296.414 3.149 20 10 CGCDRO COC1(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)CCCC1 ZINC000380803499 799368018 /nfs/dbraw/zinc/36/80/18/799368018.db2.gz XELGINUOUHVXOE-AWEZNQCLSA-N 1 0 276.424 3.362 20 10 CGCDRO CC[C@@H](C)[C@H](C[NH2+]Cc1ccc(OC)c(C)c1)OC ZINC000381278491 799376437 /nfs/dbraw/zinc/37/64/37/799376437.db2.gz KEYZADYFDUWELY-WBMJQRKESA-N 1 0 265.397 3.154 20 10 CGCDRO CS[C@H]1CC[C@@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000381540226 799381365 /nfs/dbraw/zinc/38/13/65/799381365.db2.gz HKCGLTNZXXEKQI-JQWIXIFHSA-N 1 0 257.786 3.029 20 10 CGCDRO Cc1cccc(C[N@H+](C)CC2CC(F)(F)C2)c1O ZINC000383466405 799402946 /nfs/dbraw/zinc/40/29/46/799402946.db2.gz BRVLRFQPFRRQGZ-UHFFFAOYSA-N 1 0 255.308 3.178 20 10 CGCDRO CO[C@@](C)(C[NH2+][C@@H](C)c1cc(C)ccc1O)C1CC1 ZINC000388897198 799458064 /nfs/dbraw/zinc/45/80/64/799458064.db2.gz UFLDANJEUXYEOP-LRDDRELGSA-N 1 0 263.381 3.166 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)[C@H]1CCCOC1)c1ccccc1O ZINC000389041900 799459886 /nfs/dbraw/zinc/45/98/86/799459886.db2.gz ZOYQLJQNSCRCSZ-YDHLFZDLSA-N 1 0 263.381 3.248 20 10 CGCDRO COc1ccc(C[NH2+]CC2(OC)CCCC2)cc1C ZINC000389179856 799461034 /nfs/dbraw/zinc/46/10/34/799461034.db2.gz SAESIOGWKSLFCB-UHFFFAOYSA-N 1 0 263.381 3.052 20 10 CGCDRO CCC[C@]1([NH2+]Cc2cc(Cl)ccc2O)CCOC1 ZINC000393469625 799487437 /nfs/dbraw/zinc/48/74/37/799487437.db2.gz FFTKDFNIFQLEQF-AWEZNQCLSA-N 1 0 269.772 3.094 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)C(C)(C)O ZINC000394028442 799493096 /nfs/dbraw/zinc/49/30/96/799493096.db2.gz HMADCCJOXOBTLL-QGZVFWFLSA-N 1 0 290.451 3.316 20 10 CGCDRO CC/C=C/C[NH2+]Cc1cc(Br)ccc1O ZINC000395186952 799503484 /nfs/dbraw/zinc/50/34/84/799503484.db2.gz VBHASVOMBHZSHS-ONEGZZNKSA-N 1 0 270.170 3.211 20 10 CGCDRO C[C@@]1(C[NH2+]Cc2ccc(N3CCCCC3)cc2)CCOC1 ZINC000397290724 799515490 /nfs/dbraw/zinc/51/54/90/799515490.db2.gz LGRBARSDGAOMHV-SFHVURJKSA-N 1 0 288.435 3.193 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CS[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000397822192 799520797 /nfs/dbraw/zinc/52/07/97/799520797.db2.gz FFVQWILARRECAA-DYEKYZERSA-N 1 0 264.438 3.297 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CCC1(O)CCC1 ZINC000397825054 799521114 /nfs/dbraw/zinc/52/11/14/799521114.db2.gz ISSWEMSQODWTRD-OLZOCXBDSA-N 1 0 275.392 3.144 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCC[C@H]2CCOC2)c(O)c1 ZINC000402029358 799560225 /nfs/dbraw/zinc/56/02/25/799560225.db2.gz HXSSYKZMQDXMLQ-KGLIPLIRSA-N 1 0 263.381 3.168 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)c1O ZINC000403409020 799566722 /nfs/dbraw/zinc/56/67/22/799566722.db2.gz PZBONUGKBWLRQP-GIPNMCIBSA-N 1 0 281.783 3.332 20 10 CGCDRO Cc1cc(C[NH2+]Cc2ccc3c(c2)CCCN3C)sn1 ZINC000404331459 799575459 /nfs/dbraw/zinc/57/54/59/799575459.db2.gz PXILYQDEAYNZNJ-UHFFFAOYSA-N 1 0 287.432 3.124 20 10 CGCDRO CC(C)O[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000404505616 799577443 /nfs/dbraw/zinc/57/74/43/799577443.db2.gz BGELRWJSQXOGQY-AWEZNQCLSA-N 1 0 283.799 3.435 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCN2C(C)(C)C)c1 ZINC000690375368 799775798 /nfs/dbraw/zinc/77/57/98/799775798.db2.gz NUFKLPMFRXHTKK-UONOGXRCSA-N 1 0 276.424 3.224 20 10 CGCDRO CCc1cccc(C[NH2+][C@H]2CCOC(C)(C)C2)c1O ZINC000691433318 799784392 /nfs/dbraw/zinc/78/43/92/799784392.db2.gz DZCUXIHZEODXGR-AWEZNQCLSA-N 1 0 263.381 3.002 20 10 CGCDRO COc1ccc2c(c1)C[N@@H+](Cc1cccc(C)c1O)C2 ZINC000692920450 799803022 /nfs/dbraw/zinc/80/30/22/799803022.db2.gz ASSLQEWGJUGAEB-UHFFFAOYSA-N 1 0 269.344 3.225 20 10 CGCDRO CO[C@H](C[NH2+][C@H](C)c1cc(F)ccc1O)C1CCCC1 ZINC000692983252 799806650 /nfs/dbraw/zinc/80/66/50/799806650.db2.gz QPNZJCWXCSFKFM-BDJLRTHQSA-N 1 0 281.371 3.387 20 10 CGCDRO CCOc1cccc(C[NH2+]C[C@]23C[C@H]2CCC3)c1O ZINC000693632797 799814002 /nfs/dbraw/zinc/81/40/02/799814002.db2.gz VTGAVEPWRKIBGK-CJNGLKHVSA-N 1 0 261.365 3.071 20 10 CGCDRO Nc1ccc(CC[NH2+][C@@H]2CCCC[C@H]2C2CC2)cc1 ZINC000695959852 799836566 /nfs/dbraw/zinc/83/65/66/799836566.db2.gz VVYYZUXNQNHYGQ-DLBZAZTESA-N 1 0 258.409 3.370 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(Cl)o1)c1ccccc1O ZINC000698169569 799852467 /nfs/dbraw/zinc/85/24/67/799852467.db2.gz XEDSKTKJWWKUOG-VIFPVBQESA-N 1 0 251.713 3.489 20 10 CGCDRO C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Br)cc1O ZINC000701044225 799883038 /nfs/dbraw/zinc/88/30/38/799883038.db2.gz PEGAOQBSYIFQHI-BXKDBHETSA-N 1 0 284.197 3.433 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(Br)cc1O)C1CCC1 ZINC000701045716 799884449 /nfs/dbraw/zinc/88/44/49/799884449.db2.gz UFARNPXFXIZKNI-VIFPVBQESA-N 1 0 284.197 3.433 20 10 CGCDRO C[C@@H]([NH2+]CC[C@@H]1CC1(F)F)c1cc(F)ccc1O ZINC000701935025 799899294 /nfs/dbraw/zinc/89/92/94/799899294.db2.gz LTGRFZTWEKYOKX-RKDXNWHRSA-N 1 0 259.271 3.227 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]CC[C@@H]1CC1(F)F ZINC000701944679 799899861 /nfs/dbraw/zinc/89/98/61/799899861.db2.gz OIUFMFHEHZNTQB-MRVPVSSYSA-N 1 0 261.699 3.181 20 10 CGCDRO CC[N@H+](CCC(F)(F)F)Cc1ccc(F)c(F)c1[O-] ZINC000703445842 799924690 /nfs/dbraw/zinc/92/46/90/799924690.db2.gz CVKHWDOBTNWFNK-UHFFFAOYSA-N 1 0 283.240 3.445 20 10 CGCDRO CO[C@@]1(C)C[C@H]1[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000703676664 799928571 /nfs/dbraw/zinc/92/85/71/799928571.db2.gz UALCQPBDJNFPGP-CXMBCZLWSA-N 1 0 271.360 3.373 20 10 CGCDRO CCC[C@@H](C[NH2+]Cc1cccc(CC)c1O)OCC ZINC000705386118 799948978 /nfs/dbraw/zinc/94/89/78/799948978.db2.gz VFUQYCCXBMRMOB-HNNXBMFYSA-N 1 0 265.397 3.249 20 10 CGCDRO CCC(CC)[NH2+]Cc1c(O)cccc1Br ZINC000706844015 799967520 /nfs/dbraw/zinc/96/75/20/799967520.db2.gz YISNMSZJHVIEDI-UHFFFAOYSA-N 1 0 272.186 3.433 20 10 CGCDRO CC[C@H]([NH2+]Cc1c(O)cccc1Br)C1CC1 ZINC000706854295 799967780 /nfs/dbraw/zinc/96/77/80/799967780.db2.gz ZBXAUACEVBTKJL-LBPRGKRZSA-N 1 0 284.197 3.433 20 10 CGCDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(O)c(O)c2)CC(C)(C)C1 ZINC000708338613 799985901 /nfs/dbraw/zinc/98/59/01/799985901.db2.gz BNMIJMYQMLMXFW-WCQYABFASA-N 1 0 263.381 3.402 20 10 CGCDRO CCOC[C@@H]1CCCC[N@@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000708422293 799988094 /nfs/dbraw/zinc/98/80/94/799988094.db2.gz LYNFSKRMEPYIFV-ZDUSSCGKSA-N 1 0 285.334 3.061 20 10 CGCDRO CC(C)O[C@H]1CCC[N@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000708423137 799989350 /nfs/dbraw/zinc/98/93/50/799989350.db2.gz PMFGAAKUDYSDEJ-ZDUSSCGKSA-N 1 0 285.334 3.060 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@](C)(C(F)(F)F)C2)c1 ZINC000708603386 799991488 /nfs/dbraw/zinc/99/14/88/799991488.db2.gz YZGMASPXRRZNMI-ZDUSSCGKSA-N 1 0 273.298 3.475 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](C3CCCC3)C2)c1 ZINC000708871963 799998870 /nfs/dbraw/zinc/99/88/70/799998870.db2.gz WRPZJAZAGGXEGS-AWEZNQCLSA-N 1 0 275.392 3.413 20 10 CGCDRO COCC1(C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3C)CC1 ZINC000709517624 800009304 /nfs/dbraw/zinc/00/93/04/800009304.db2.gz UZSXKOFYIREBMK-STQMWFEESA-N 1 0 275.392 3.265 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+][C@@]23C[C@@H]2CCCC3)c1O ZINC000710545923 800035672 /nfs/dbraw/zinc/03/56/72/800035672.db2.gz MLWSWYJQPZIWDA-NHYWBVRUSA-N 1 0 281.783 3.477 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]C[C@@H]1CCC2(CCC2)O1 ZINC000711427912 800057736 /nfs/dbraw/zinc/05/77/36/800057736.db2.gz QRWPEEXQCDVYQE-ZDUSSCGKSA-N 1 0 281.783 3.237 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1CCC2(CCC2)O1)c1cc(F)ccc1O ZINC000711471824 800061455 /nfs/dbraw/zinc/06/14/55/800061455.db2.gz LXIZHCPLIYAHAZ-DGCLKSJQSA-N 1 0 279.355 3.284 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H]2C[C@@H]3CCCC[C@H]23)c1 ZINC000712400017 800086484 /nfs/dbraw/zinc/08/64/84/800086484.db2.gz CFOOCFGAXWCYTH-TUKIKUTGSA-N 1 0 261.365 3.069 20 10 CGCDRO CO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(C)cc2O)C12CCC2 ZINC000713481861 800110821 /nfs/dbraw/zinc/11/08/21/800110821.db2.gz ZAPGRRHDIUHNDQ-DAXOMENPSA-N 1 0 275.392 3.309 20 10 CGCDRO CC[N@H+](Cc1c(O)cccc1Cl)C1CCOCC1 ZINC000716475676 800171956 /nfs/dbraw/zinc/17/19/56/800171956.db2.gz BPGPUISDPYYWOF-UHFFFAOYSA-N 1 0 269.772 3.047 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](C)C(C)(C)OC)c1ccccc1O ZINC000720207318 800253338 /nfs/dbraw/zinc/25/33/38/800253338.db2.gz NROGKCGTGJZMSJ-WCQYABFASA-N 1 0 251.370 3.246 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]C[C@H]1CC[C@@H](C2CC2)O1 ZINC000722320312 800313645 /nfs/dbraw/zinc/31/36/45/800313645.db2.gz LOYHYUCKSYQJCX-ABAIWWIYSA-N 1 0 281.783 3.093 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1CC[C@H](C(F)(F)F)O1)c1ccccc1O ZINC000722394471 800322098 /nfs/dbraw/zinc/32/20/98/800322098.db2.gz GUTHFGUCVSOHFX-OUJBWJOFSA-N 1 0 289.297 3.153 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1O ZINC000724300724 800357747 /nfs/dbraw/zinc/35/77/47/800357747.db2.gz LCQDOUXKQSAOHN-RQJABVFESA-N 1 0 263.381 3.246 20 10 CGCDRO OCC[C@@H]([NH2+]Cc1c(O)cccc1Cl)C1CCCC1 ZINC000725126555 800375667 /nfs/dbraw/zinc/37/56/67/800375667.db2.gz RZWREPAEFNIGRL-CQSZACIVSA-N 1 0 283.799 3.076 20 10 CGCDRO COc1cccc(C[C@@H](C)[N@@H+]2CCc3cccc(O)c3C2)c1 ZINC001256169856 806842486 /nfs/dbraw/zinc/84/24/86/806842486.db2.gz OFLWMBLPBRSLKX-CQSZACIVSA-N 1 0 297.398 3.390 20 10 CGCDRO Cc1cccc(C[NH2+][C@]2(C)CCOc3ccccc32)c1O ZINC000897386212 800587034 /nfs/dbraw/zinc/58/70/34/800587034.db2.gz SSIQTRSHJSJQHO-GOSISDBHSA-N 1 0 283.371 3.488 20 10 CGCDRO Cc1ccc(C[NH2+][C@]2(C)CCOc3ccccc32)c(O)c1 ZINC000897386397 800587071 /nfs/dbraw/zinc/58/70/71/800587071.db2.gz WBUHLFKEQBVPHU-GOSISDBHSA-N 1 0 283.371 3.488 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@H](C)c2ccc3c(c2)CCO3)c1 ZINC000897417900 800590613 /nfs/dbraw/zinc/59/06/13/800590613.db2.gz DYFNFTUFHSLKDK-GFCCVEGCSA-N 1 0 299.370 3.187 20 10 CGCDRO Cc1c(C)c(N2CC[C@H]([NH3+])C2)ccc1OCc1ccccc1 ZINC001164289251 806929005 /nfs/dbraw/zinc/92/90/05/806929005.db2.gz WNRGZWPFYSFTTO-KRWDZBQOSA-N 1 0 296.414 3.420 20 10 CGCDRO CCCC[C@H](CN)[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC001118122710 802527456 /nfs/dbraw/zinc/52/74/56/802527456.db2.gz ZRAYEVUDJZCINT-MGPQQGTHSA-N 1 0 276.424 3.356 20 10 CGCDRO Cc1c(C[N@H+]2CC[C@@H](C)[C@H](O)CC2)c2ccccc2n1C ZINC001138252278 803880097 /nfs/dbraw/zinc/88/00/97/803880097.db2.gz AKPLSGHEHSBRTR-FZKQIMNGSA-N 1 0 286.419 3.080 20 10 CGCDRO Cc1c(C[N@H+]2CC[C@@H](C)[C@@](C)(O)C2)c2ccccc2n1C ZINC001138252644 803881704 /nfs/dbraw/zinc/88/17/04/803881704.db2.gz OHKHUYAOKVBJOH-ACJLOTCBSA-N 1 0 286.419 3.080 20 10 CGCDRO CCN(CC[NH+]1CCCC1)Cc1c2ccccc2n(C)c1C ZINC001138256645 803882519 /nfs/dbraw/zinc/88/25/19/803882519.db2.gz FDKOCGLJDXXDER-UHFFFAOYSA-N 1 0 299.462 3.404 20 10 CGCDRO Cc1c(C[N@@H+]2CC[C@H]3CCCO[C@H]3C2)c2ccccc2n1C ZINC001138253712 803882689 /nfs/dbraw/zinc/88/26/89/803882689.db2.gz DKTOPCGHHSAZLC-BEFAXECRSA-N 1 0 298.430 3.488 20 10 CGCDRO CO[C@H]1CCC[N@H+](Cc2ccc3c(c2)CCCN3C)CC1 ZINC001138356441 803901022 /nfs/dbraw/zinc/90/10/22/803901022.db2.gz OIXNADUQGTUDCZ-KRWDZBQOSA-N 1 0 288.435 3.070 20 10 CGCDRO CN1CCCc2cc(C[N@H+](C)CCc3cccnc3)ccc21 ZINC001138356557 803901098 /nfs/dbraw/zinc/90/10/98/803901098.db2.gz RALOCXZBWONCSE-UHFFFAOYSA-N 1 0 295.430 3.139 20 10 CGCDRO CN1CCCc2cc(C[N@H+]3C[C@@H]4[C@H](C3)C4(C)C)ccc21 ZINC001138355866 803901107 /nfs/dbraw/zinc/90/11/07/803901107.db2.gz FFZHPNWUWQUDNQ-IYBDPMFKSA-N 1 0 270.420 3.157 20 10 CGCDRO CC[N@H+](Cc1c[nH]nc1C(C)(C)C)Cc1ccccc1O ZINC001138579110 803972627 /nfs/dbraw/zinc/97/26/27/803972627.db2.gz BTNVGRJZOFGMRH-UHFFFAOYSA-N 1 0 287.407 3.435 20 10 CGCDRO Cc1cccc2c1C[N@H+](Cc1cc(F)ccc1O)C2 ZINC001140058369 804364565 /nfs/dbraw/zinc/36/45/65/804364565.db2.gz XVXKPZRSFNXDLI-UHFFFAOYSA-N 1 0 257.308 3.356 20 10 CGCDRO Oc1ccc(F)cc1C[N@H+]1C[C@H]2[C@H](CCC2(F)F)C1 ZINC001140063135 804368994 /nfs/dbraw/zinc/36/89/94/804368994.db2.gz LLIFHZWFTKCUAX-SKDRFNHKSA-N 1 0 271.282 3.008 20 10 CGCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@@H]3CCCO[C@H]3C2)c1O ZINC001140179491 804396267 /nfs/dbraw/zinc/39/62/67/804396267.db2.gz FGRRCYCLRSHMQF-HOCLYGCPSA-N 1 0 275.392 3.010 20 10 CGCDRO C[C@@]1(CF)CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC001140337730 804417496 /nfs/dbraw/zinc/41/74/96/804417496.db2.gz BFCMKZHTZHVQQR-ZDUSSCGKSA-N 1 0 257.736 3.227 20 10 CGCDRO CC1(C)C[NH+](Cc2ccc(Cl)cc2O)CC(C)(C)O1 ZINC001140464568 804441658 /nfs/dbraw/zinc/44/16/58/804441658.db2.gz VNQWJOHRQGICJB-UHFFFAOYSA-N 1 0 283.799 3.435 20 10 CGCDRO C[N@@H+]1CCN(Cc2ccc(Cl)cc2O)C2(CCCC2)C1 ZINC001140468446 804443972 /nfs/dbraw/zinc/44/39/72/804443972.db2.gz LGLHWUBOJKTWEJ-UHFFFAOYSA-N 1 0 294.826 3.106 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](Oc3cccnc3)C2)c1 ZINC001140621356 804476411 /nfs/dbraw/zinc/47/64/11/804476411.db2.gz YPDRHOVSKLDYIN-QGZVFWFLSA-N 1 0 298.386 3.139 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCC(=O)[C@@H]3CCCC[C@@H]32)c1 ZINC001140617492 804476628 /nfs/dbraw/zinc/47/66/28/804476628.db2.gz REFQFNHRXYKFIM-CABCVRRESA-N 1 0 273.376 3.034 20 10 CGCDRO Cc1ccc(O)c(CN2CCC[C@@H](F)C(F)(F)C2)c1 ZINC001140617498 804476724 /nfs/dbraw/zinc/47/67/24/804476724.db2.gz RHSXKPPTDPLHPB-CYBMUJFWSA-N 1 0 273.298 3.270 20 10 CGCDRO COC(C)(C)[C@H]1CCC[N@@H+]1Cc1cc(C)ccc1O ZINC001140621331 804476732 /nfs/dbraw/zinc/47/67/32/804476732.db2.gz WIFMBTVTPNEXCP-OAHLLOKOSA-N 1 0 263.381 3.090 20 10 CGCDRO Cc1nc2c(s1)C[N@H+](Cc1cc(C)ccc1O)CC2 ZINC001140621123 804476922 /nfs/dbraw/zinc/47/69/22/804476922.db2.gz PVYLDANLBMBKQU-UHFFFAOYSA-N 1 0 274.389 3.024 20 10 CGCDRO Cc1ccc(O)c(C[N@H+](C)Cc2cccc3c2OCO3)c1 ZINC001140624162 804477658 /nfs/dbraw/zinc/47/76/58/804477658.db2.gz JCWUEJAZGRLPLL-UHFFFAOYSA-N 1 0 285.343 3.061 20 10 CGCDRO Cc1c(O)ccc(C[N@@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)c1O ZINC001140747673 804505124 /nfs/dbraw/zinc/50/51/24/804505124.db2.gz IGPMAYNXESLOTE-GASCZTMLSA-N 1 0 295.382 3.493 20 10 CGCDRO Cc1c(O)ccc(C[N@@H+](C)[C@H]2CC[C@H](C)CC2)c1O ZINC001140751307 804505297 /nfs/dbraw/zinc/50/52/97/804505297.db2.gz RETLSWDXGWDFHC-YEORSEQZSA-N 1 0 263.381 3.417 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)c(O)c1 ZINC001140850695 804533591 /nfs/dbraw/zinc/53/35/91/804533591.db2.gz REDBWUNHABDPPT-GASCZTMLSA-N 1 0 288.435 3.470 20 10 CGCDRO CN(C)c1ccc(CN2CCOC(C)(C)C2)c(Cl)c1 ZINC001140921609 804549044 /nfs/dbraw/zinc/54/90/44/804549044.db2.gz KBGAPTBDVYNQEB-UHFFFAOYSA-N 1 0 282.815 3.017 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)c(OC)c1 ZINC001141029176 804574771 /nfs/dbraw/zinc/57/47/71/804574771.db2.gz LEOWCPZCJWFOKC-WFASDCNBSA-N 1 0 291.391 3.174 20 10 CGCDRO Cc1cccc(CC[N@@H+](C)Cc2cc(O)ccc2O)c1 ZINC001141160026 804599600 /nfs/dbraw/zinc/59/96/00/804599600.db2.gz PJVBFSWERVUDIO-UHFFFAOYSA-N 1 0 271.360 3.081 20 10 CGCDRO C[C@H]1C[N@H+](Cc2cc(O)ccc2O)Cc2ccccc21 ZINC001141156905 804599723 /nfs/dbraw/zinc/59/97/23/804599723.db2.gz XFFJTDKTPHMTHJ-LBPRGKRZSA-N 1 0 269.344 3.217 20 10 CGCDRO Cc1ccc([C@H]2CCC[N@@H+]2Cc2cc(O)ccc2O)cn1 ZINC001141161522 804601300 /nfs/dbraw/zinc/60/13/00/804601300.db2.gz TXOTYOJPGPVVHF-MRXNPFEDSA-N 1 0 284.359 3.138 20 10 CGCDRO C[N@H+](Cc1[nH]cnc1C(C)(C)C)Cc1ccccc1O ZINC001142235207 804705359 /nfs/dbraw/zinc/70/53/59/804705359.db2.gz QYRYNKNHPNFXHC-UHFFFAOYSA-N 1 0 273.380 3.045 20 10 CGCDRO CC(C)(C)c1cccc(C[N@@H+]2CC[C@]3(CCOC3)C2)c1O ZINC001143104384 804802029 /nfs/dbraw/zinc/80/20/29/804802029.db2.gz SMAWAFQXZPQUSG-SFHVURJKSA-N 1 0 289.419 3.302 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2cccc(C(C)(C)C)c2O)CC[C@H]1O ZINC001143103391 804802414 /nfs/dbraw/zinc/80/24/14/804802414.db2.gz BSQRAHGWGDFDSR-CZUORRHYSA-N 1 0 291.435 3.283 20 10 CGCDRO CC(C)(C)c1cccc(C[NH+]2CCC3(COC3)CC2)c1O ZINC001143103731 804802564 /nfs/dbraw/zinc/80/25/64/804802564.db2.gz JJIJSHONEUTQFT-UHFFFAOYSA-N 1 0 289.419 3.302 20 10 CGCDRO C[C@@H]1C[C@H](O)CC[N@@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001143111481 804802873 /nfs/dbraw/zinc/80/28/73/804802873.db2.gz BYOBOSKMLLTJMT-TZMCWYRMSA-N 1 0 277.408 3.035 20 10 CGCDRO Cc1c(O)cccc1C[N@@H+](C)Cc1ccccc1O ZINC001144117531 804937742 /nfs/dbraw/zinc/93/77/42/804937742.db2.gz FXUUVOUTNNLMSM-UHFFFAOYSA-N 1 0 257.333 3.038 20 10 CGCDRO CC1(C)CC([NH3+])CC(C)(C)N1c1ccc2c(c1)CCO2 ZINC001167624199 807217767 /nfs/dbraw/zinc/21/77/67/807217767.db2.gz BGDHMUOOHMAWSU-UHFFFAOYSA-N 1 0 274.408 3.106 20 10 CGCDRO CSC(C)(C)C[C@H](C)[NH2+]Cc1ccc(O)c(O)c1 ZINC001258326472 807410797 /nfs/dbraw/zinc/41/07/97/807410797.db2.gz JSWXVFVXEUYKFM-JTQLQIEISA-N 1 0 269.410 3.108 20 10 CGCDRO CCCC1CCC([NH2+]CCc2cc(O)c(O)cc2O)CC1 ZINC001258528610 807486409 /nfs/dbraw/zinc/48/64/09/807486409.db2.gz SZDPNJHVXFVQSR-UHFFFAOYSA-N 1 0 293.407 3.294 20 10 CGCDRO CC[C@@H](C)C[C@H](CC)[NH2+]CCc1ccc(O)c(O)c1 ZINC001258780540 807607498 /nfs/dbraw/zinc/60/74/98/807607498.db2.gz OUCUALHCDQXTDB-OCCSQVGLSA-N 1 0 265.397 3.445 20 10 CGCDRO Cc1c([C@@H](C)[NH2+][C@@H](C)c2ccc(Cl)cc2O)cnn1C ZINC001261374675 807740436 /nfs/dbraw/zinc/74/04/36/807740436.db2.gz QJWSFOOTMYBHRV-VHSXEESVSA-N 1 0 293.798 3.499 20 10 CGCDRO CC[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(N(C)C)cc2)CCO1 ZINC001170237213 807799584 /nfs/dbraw/zinc/79/95/84/807799584.db2.gz HRVKBJVAYCSSIQ-DLBZAZTESA-N 1 0 276.424 3.142 20 10 CGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC001262207299 807837886 /nfs/dbraw/zinc/83/78/86/807837886.db2.gz YDQJFMPNGUUOTB-QMHWVQJVSA-N 1 0 299.414 3.430 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC001262207298 807838129 /nfs/dbraw/zinc/83/81/29/807838129.db2.gz YDQJFMPNGUUOTB-LEOABGAYSA-N 1 0 299.414 3.430 20 10 CGCDRO Cc1cccc2c1CC[C@H]([NH2+]Cc1ccccc1O)C2 ZINC001171550131 808092227 /nfs/dbraw/zinc/09/22/27/808092227.db2.gz IXPCCAUNSQHLHV-INIZCTEOSA-N 1 0 267.372 3.348 20 10 CGCDRO C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2C)c1ccccc1O ZINC001172105110 808177180 /nfs/dbraw/zinc/17/71/80/808177180.db2.gz GUNGJEUHPCLYJF-ZQDZILKHSA-N 1 0 274.408 3.058 20 10 CGCDRO Oc1ccccc1C[NH2+][C@@H]1CSc2ccccc2C1 ZINC001172189258 808192544 /nfs/dbraw/zinc/19/25/44/808192544.db2.gz CWVUAKDDEBXXTH-AWEZNQCLSA-N 1 0 271.385 3.199 20 10 CGCDRO CC[C@H](C)OCC[C@@H](C)[N@H+](C)Cc1ccccc1O ZINC001172352762 808249062 /nfs/dbraw/zinc/24/90/62/808249062.db2.gz JEROFASBMYNGSV-KGLIPLIRSA-N 1 0 265.397 3.418 20 10 CGCDRO C[C@@H]1CC[C@H]([NH2+]CCc2ccc(O)c(O)c2)C[C@H]1C ZINC001172359815 808253602 /nfs/dbraw/zinc/25/36/02/808253602.db2.gz OLRAJUDMLFHFED-BZPMIXESSA-N 1 0 263.381 3.055 20 10 CGCDRO Cc1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc(O)c(O)c1)CC2 ZINC001172841894 808456313 /nfs/dbraw/zinc/45/63/13/808456313.db2.gz JTXJYBRYTCNIND-INIZCTEOSA-N 1 0 283.371 3.053 20 10 CGCDRO CC[N@H+](Cc1ccccc1O)[C@@H]1CCC[C@@H](OC)C1 ZINC001172946189 808492793 /nfs/dbraw/zinc/49/27/93/808492793.db2.gz SMOODFKUHVVXPN-HUUCEWRRSA-N 1 0 263.381 3.172 20 10 CGCDRO COC(=O)CCCC[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001173440076 808636111 /nfs/dbraw/zinc/63/61/11/808636111.db2.gz CVPLGPAMXQOZOY-AWEZNQCLSA-N 1 0 293.407 3.215 20 10 CGCDRO COC(=O)CCCC[C@@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC001173453008 808640099 /nfs/dbraw/zinc/64/00/99/808640099.db2.gz KYJTWYFGKMAXLH-OLZOCXBDSA-N 1 0 279.380 3.165 20 10 CGCDRO Cc1cc(Nc2cc(C(F)(F)F)ccc2O)cc[nH+]1 ZINC001174656516 809120516 /nfs/dbraw/zinc/12/05/16/809120516.db2.gz BTRZTAVQNJRHPN-UHFFFAOYSA-N 1 0 268.238 3.280 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@@H]2CCN(CCC)C2)cc1C ZINC001179238442 809910644 /nfs/dbraw/zinc/91/06/44/809910644.db2.gz NQWJYONOWKOYSN-QGZVFWFLSA-N 1 0 290.451 3.358 20 10 CGCDRO C[C@]1(C[NH2+]Cc2ccc3c(c2)CCCO3)CCCCO1 ZINC001179699533 809939152 /nfs/dbraw/zinc/93/91/52/809939152.db2.gz AKBLRWPYTZTSDP-QGZVFWFLSA-N 1 0 275.392 3.060 20 10 CGCDRO CO[C@@H](CC[NH2+]Cc1ccc(Cl)cc1O)C(F)(F)F ZINC001180916730 810026746 /nfs/dbraw/zinc/02/67/46/810026746.db2.gz HFHYOLOSUAKIBV-NSHDSACASA-N 1 0 297.704 3.103 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H]2CCc3ccccc3OC2)c1O ZINC001181195891 810042650 /nfs/dbraw/zinc/04/26/50/810042650.db2.gz FFMXGANJGIHKHT-QGZVFWFLSA-N 1 0 297.398 3.438 20 10 CGCDRO Cc1ccc(C[NH2+][C@H](C(C)C)[C@@H](CO)C(C)C)c(O)c1 ZINC001181894243 810081588 /nfs/dbraw/zinc/08/15/88/810081588.db2.gz WZQFSAGPQVJTGU-DOTOQJQBSA-N 1 0 279.424 3.079 20 10 CGCDRO COc1cc(C)cc(C[NH2+]C[C@]2(C)C[C@H]3C[C@H]3C2)c1O ZINC001183239719 810141778 /nfs/dbraw/zinc/14/17/78/810141778.db2.gz ZBMZGIMOZJMEIL-FVCICTRLSA-N 1 0 275.392 3.235 20 10 CGCDRO COc1cc(C)c(C[NH2+][C@@H](C)c2ccccc2O)c(O)c1 ZINC001183362959 810146401 /nfs/dbraw/zinc/14/64/01/810146401.db2.gz GCMZAVGYIAZSIR-LBPRGKRZSA-N 1 0 287.359 3.266 20 10 CGCDRO CCC[N@H+](Cc1cccc(OC)c1O)[C@H](C)CC ZINC001203586098 812400088 /nfs/dbraw/zinc/40/00/88/812400088.db2.gz YJIDCQFEEKNGRI-GFCCVEGCSA-N 1 0 251.370 3.411 20 10 CGCDRO COc1ccc(C[N@@H+]2CCC[C@H]2c2cccnc2)c(O)c1 ZINC001203620851 812409638 /nfs/dbraw/zinc/40/96/38/812409638.db2.gz JYTXZFGMVLXZFA-INIZCTEOSA-N 1 0 284.359 3.133 20 10 CGCDRO C[C@H]1C[C@H]2C[N@H+](Cc3cc(Cl)ccc3O)CC[C@H]2O1 ZINC001203656340 812417717 /nfs/dbraw/zinc/41/77/17/812417717.db2.gz NLJPHRZXTLHOLD-ITDIGPHOSA-N 1 0 281.783 3.045 20 10 CGCDRO COC(C)(C)[C@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC001203663943 812422883 /nfs/dbraw/zinc/42/28/83/812422883.db2.gz HGQOKTAIACTRDW-CQSZACIVSA-N 1 0 283.799 3.435 20 10 CGCDRO CC1(C)CCC2(CC[NH+](Cc3ccc(O)c(O)c3)CC2)O1 ZINC001203879955 812477872 /nfs/dbraw/zinc/47/78/72/812477872.db2.gz HQHHUPUOJKQIST-UHFFFAOYSA-N 1 0 291.391 3.021 20 10 CGCDRO Oc1ccc(C[N@@H+]2CCC[C@@H](c3ccccc3)C2)cc1O ZINC001203878636 812478240 /nfs/dbraw/zinc/47/82/40/812478240.db2.gz IZDYNZXTOAJOOZ-MRXNPFEDSA-N 1 0 283.371 3.477 20 10 CGCDRO CCN(CC)c1ccc(CN(C)CC[NH+](CC)CC)cc1 ZINC001203936290 812496009 /nfs/dbraw/zinc/49/60/09/812496009.db2.gz LTBWFOYRDUOLTB-UHFFFAOYSA-N 1 0 291.483 3.306 20 10 CGCDRO CN(C)c1ccc(C[NH+]2CC3CCC(CC3)C2)cc1 ZINC001203936414 812496073 /nfs/dbraw/zinc/49/60/73/812496073.db2.gz FBDBOPKBNMEMCK-UHFFFAOYSA-N 1 0 258.409 3.375 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)cc1 ZINC001203942450 812498093 /nfs/dbraw/zinc/49/80/93/812498093.db2.gz QUPIAMOJUHJKDR-OSYLJGHBSA-N 1 0 276.399 3.180 20 10 CGCDRO CCN(CC)c1ccc(C[NH+]2CC3(CSC3)C2)cc1 ZINC001203945381 812499262 /nfs/dbraw/zinc/49/92/62/812499262.db2.gz LKDXCKPETQOSNA-UHFFFAOYSA-N 1 0 276.449 3.082 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)s1 ZINC001204033707 812525967 /nfs/dbraw/zinc/52/59/67/812525967.db2.gz QQYFWJYUSCFSQE-UHFFFAOYSA-N 1 0 289.400 3.416 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)c3ccccc23)CC[C@H]1O ZINC001204234146 812581177 /nfs/dbraw/zinc/58/11/77/812581177.db2.gz XRHWZGRCYOEVFM-AUUYWEPGSA-N 1 0 298.430 3.109 20 10 CGCDRO C[N@H+](Cc1ccc(Cl)cc1)Cc1ccc(O)cc1O ZINC001204274753 812592864 /nfs/dbraw/zinc/59/28/64/812592864.db2.gz IKRRPWAAUXGNMA-UHFFFAOYSA-N 1 0 277.751 3.383 20 10 CGCDRO CCCO[C@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204327448 812614202 /nfs/dbraw/zinc/61/42/02/812614202.db2.gz UQKJDUZDIUVBII-SFHVURJKSA-N 1 0 288.435 3.288 20 10 CGCDRO CC[C@@]12C[C@@H](CO1)[N@H+](Cc1ccc(N3CCCC3)cc1)C2 ZINC001204328792 812614654 /nfs/dbraw/zinc/61/46/54/812614654.db2.gz NQQTZSQNBDUFMF-ROUUACIJSA-N 1 0 286.419 3.040 20 10 CGCDRO C[C@@H]1C[NH+](C/C=C/c2ccc(N(C)C)cc2)C[C@H]1C ZINC001204769897 812731059 /nfs/dbraw/zinc/73/10/59/812731059.db2.gz XJNNIFHWDPQTMI-XEVLESSRSA-N 1 0 258.409 3.354 20 10 CGCDRO CCC[C@@H](C[NH2+]Cc1cc(C(C)C)ccc1O)OC ZINC001205959430 813146050 /nfs/dbraw/zinc/14/60/50/813146050.db2.gz DWZZEUUACJMDNC-HNNXBMFYSA-N 1 0 265.397 3.420 20 10 CGCDRO CC(C)[N@H+](Cc1cc(Cl)ccc1[O-])[C@H]1CCC[NH2+]CC1 ZINC001206579931 813361299 /nfs/dbraw/zinc/36/12/99/813361299.db2.gz BGPAVOPDRABHSS-HNNXBMFYSA-N 1 0 296.842 3.398 20 10 CGCDRO C[C@@H]1C[C@@H](C[N@H+](C)Cc2ccccc2O)C[C@H](C)O1 ZINC001209397028 814013947 /nfs/dbraw/zinc/01/39/47/814013947.db2.gz IMZVRYCOTUHMEH-BTTYYORXSA-N 1 0 263.381 3.028 20 10 CGCDRO C[C@H]1CC(C[N@H+](C)Cc2ccc(N(C)C)cc2)C[C@H](C)O1 ZINC001209399850 814014014 /nfs/dbraw/zinc/01/40/14/814014014.db2.gz VBLDWUVODFUFCI-GJZGRUSLSA-N 1 0 290.451 3.388 20 10 CGCDRO C[C@H]1CC(C[N@H+](C)Cc2ccccc2O)C[C@H](C)O1 ZINC001209397034 814014819 /nfs/dbraw/zinc/01/48/19/814014819.db2.gz IMZVRYCOTUHMEH-STQMWFEESA-N 1 0 263.381 3.028 20 10 CGCDRO COc1ccc2c(c1)c1c(n2C)CC[N@@H+](C[C@H]2C[C@@H]2C)C1 ZINC001209421828 814024147 /nfs/dbraw/zinc/02/41/47/814024147.db2.gz PMTWTESFOWOBJE-QWHCGFSZSA-N 1 0 284.403 3.201 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CCCOCC2)cc1 ZINC001209517167 814071711 /nfs/dbraw/zinc/07/17/11/814071711.db2.gz AAMKYYXBVGZHNB-UHFFFAOYSA-N 1 0 284.403 3.316 20 10 CGCDRO Cc1ccc(C)c(CN2CC[NH2+]C[C@H]2c2ccccc2)c1O ZINC001210215382 814345612 /nfs/dbraw/zinc/34/56/12/814345612.db2.gz HOBYYZGNNDJTRC-SFHVURJKSA-N 1 0 296.414 3.156 20 10 CGCDRO C[C@@H]1CC[C@@H](C)[C@@H](Oc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001218291555 816153420 /nfs/dbraw/zinc/15/34/20/816153420.db2.gz OYIHCFRIGCAKQM-RKVPGOIHSA-N 1 0 288.435 3.300 20 10 CGCDRO CCC[C@@H](Oc1ccc(N2CC[NH2+]CC2)cc1)C(C)C ZINC001218293630 816155663 /nfs/dbraw/zinc/15/56/63/816155663.db2.gz KZVLLNIFAJEXBZ-QGZVFWFLSA-N 1 0 276.424 3.300 20 10 CGCDRO CC(C)Oc1ccc(C[N@H+](C)Cc2ccccc2O)cn1 ZINC001231539074 818122410 /nfs/dbraw/zinc/12/24/10/818122410.db2.gz VSPGQRLCCZKVSL-UHFFFAOYSA-N 1 0 286.375 3.206 20 10 CGCDRO COc1ccc(Br)c(C[N@H+](C)C(C)C)c1O ZINC001231548319 818124811 /nfs/dbraw/zinc/12/48/11/818124811.db2.gz RVJUDSZQKMZDBH-UHFFFAOYSA-N 1 0 288.185 3.004 20 10 CGCDRO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c(O)ccc2ccccc21 ZINC001231587717 818130168 /nfs/dbraw/zinc/13/01/68/818130168.db2.gz YHHWZLOZBMBYAQ-OKILXGFUSA-N 1 0 281.355 3.241 20 10 CGCDRO CCOC[C@@]12CCC[C@@H]1C[N@H+](Cc1cccc(C)c1O)C2 ZINC001231592043 818132276 /nfs/dbraw/zinc/13/22/76/818132276.db2.gz KCNNOCHCSPIZAO-AEFFLSMTSA-N 1 0 289.419 3.339 20 10 CGCDRO COc1cc(C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)c(O)cc1O ZINC001231636325 818143975 /nfs/dbraw/zinc/14/39/75/818143975.db2.gz SOHCQAOGQYJIEA-GXTWGEPZSA-N 1 0 291.391 3.261 20 10 CGCDRO Cc1cc(C)c(C[N@@H+]2CCC[C@H](F)CC2)c(O)c1 ZINC001231841862 818186138 /nfs/dbraw/zinc/18/61/38/818186138.db2.gz FDRJRAHBVUCIOM-ZDUSSCGKSA-N 1 0 251.345 3.333 20 10 CGCDRO CCCO[C@H]1CC[N@H+](Cc2c(C)cc(C)cc2O)C1 ZINC001231844017 818186210 /nfs/dbraw/zinc/18/62/10/818186210.db2.gz DVGKLDXPJOBEGO-AWEZNQCLSA-N 1 0 263.381 3.010 20 10 CGCDRO Cc1cc(C)c(C[NH+]2CCC3(CCOCC3)CC2)c(O)c1 ZINC001231846884 818186900 /nfs/dbraw/zinc/18/69/00/818186900.db2.gz SFFAYINBKWMMAD-UHFFFAOYSA-N 1 0 289.419 3.402 20 10 CGCDRO CC[N@H+](Cc1c(C)cc(C)cc1O)C1CCOCC1 ZINC001231845669 818187485 /nfs/dbraw/zinc/18/74/85/818187485.db2.gz PRVMSYXWFDOSFG-UHFFFAOYSA-N 1 0 263.381 3.010 20 10 CGCDRO Cc1cc(C)c(C[N@@H+](CCCCCO)C(C)C)c(O)c1 ZINC001231848573 818187791 /nfs/dbraw/zinc/18/77/91/818187791.db2.gz JFQFEAPQRPNMAF-UHFFFAOYSA-N 1 0 279.424 3.382 20 10 CGCDRO CC[C@H](C)[C@@H](C(=O)OC)[N@H+](C)Cc1c(C)cc(C)cc1O ZINC001231849155 818188490 /nfs/dbraw/zinc/18/84/90/818188490.db2.gz OWTGIWUKNKDGBK-LRDDRELGSA-N 1 0 293.407 3.029 20 10 CGCDRO COc1cc(N(C)C)ccc1C[N@H+](C)CC1CCCC1 ZINC001231854580 818189074 /nfs/dbraw/zinc/18/90/74/818189074.db2.gz IUJJHZSQRRPTAQ-UHFFFAOYSA-N 1 0 276.424 3.383 20 10 CGCDRO CCN1CC[N@H+](Cc2ccc3ccccc3c2O)[C@H](C)C1 ZINC001231883002 818201619 /nfs/dbraw/zinc/20/16/19/818201619.db2.gz FXJHLOKKIKVLMR-CQSZACIVSA-N 1 0 284.403 3.071 20 10 CGCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@@H](F)CC2)cc1Cl ZINC001232258617 818294933 /nfs/dbraw/zinc/29/49/33/818294933.db2.gz AZSHCHFVAVEBJZ-SNVBAGLBSA-N 1 0 273.735 3.075 20 10 CGCDRO C[C@H]1CCC[N@H+](Cc2cc(Cl)c(O)cc2O)[C@H]1C ZINC001232267539 818296931 /nfs/dbraw/zinc/29/69/31/818296931.db2.gz ISZOZXBIWWBROT-UWVGGRQHSA-N 1 0 269.772 3.372 20 10 CGCDRO COC(C)(C)[C@H]1CCC[N@@H+]1Cc1cc(Cl)c(O)cc1O ZINC001232268282 818298373 /nfs/dbraw/zinc/29/83/73/818298373.db2.gz NTAQPFXVFBUVLA-CQSZACIVSA-N 1 0 299.798 3.141 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)cc1Cl ZINC001232266085 818298966 /nfs/dbraw/zinc/29/89/66/818298966.db2.gz IOHNMISQXTTZSS-PHIMTYICSA-N 1 0 281.783 3.286 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC(F)(F)C(C)(C)C2)c(O)c1 ZINC001232835959 818452302 /nfs/dbraw/zinc/45/23/02/818452302.db2.gz IWISQKPUCBXJGQ-UHFFFAOYSA-N 1 0 298.377 3.325 20 10 CGCDRO C[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2O)CCC[C@@H]1C ZINC001232834853 818452401 /nfs/dbraw/zinc/45/24/01/818452401.db2.gz OSTUFCNUHJBBGJ-KBPBESRZSA-N 1 0 276.424 3.326 20 10 CGCDRO CC1(C)CN(Cc2cc(O)c(O)c(O)c2)Cc2ccccc21 ZINC001233015417 818502816 /nfs/dbraw/zinc/50/28/16/818502816.db2.gz MYTBGFRHCARRFK-UHFFFAOYSA-N 1 0 299.370 3.097 20 10 CGCDRO CC[N@H+](Cc1[nH]nc2cc(F)ccc21)Cc1ccccc1O ZINC001233127658 818528909 /nfs/dbraw/zinc/52/89/09/818528909.db2.gz ZWJDCPBCRDYWBU-UHFFFAOYSA-N 1 0 299.349 3.430 20 10 CGCDRO C[C@@H]1C[NH+](Cc2cc(C(C)(C)C)ccc2O)C[C@@H](C)O1 ZINC001233283818 818566117 /nfs/dbraw/zinc/56/61/17/818566117.db2.gz XDOXPLJUFDUQPY-CHWSQXEVSA-N 1 0 277.408 3.299 20 10 CGCDRO [O-]c1ccc(F)c(F)c1C[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC001233335272 818584174 /nfs/dbraw/zinc/58/41/74/818584174.db2.gz OHXXXMLWDBNOGD-ZWNOBZJWSA-N 1 0 267.319 3.435 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2c([O-])ccc(F)c2F)C2(CC2)C1 ZINC001233336094 818588660 /nfs/dbraw/zinc/58/86/60/818588660.db2.gz YGEDKWMMQDKHNW-VIFPVBQESA-N 1 0 253.292 3.045 20 10 CGCDRO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2cc(O)c(O)cc2O)c1 ZINC001233482200 818625461 /nfs/dbraw/zinc/62/54/61/818625461.db2.gz DVQPWKQMILZFMJ-HNNXBMFYSA-N 1 0 299.370 3.449 20 10 CGCDRO CC[C@H](c1ccccc1)[N@H+](C)Cc1cc(O)c(O)cc1O ZINC001233486460 818625691 /nfs/dbraw/zinc/62/56/91/818625691.db2.gz NRFKGJZJKKWLRF-CQSZACIVSA-N 1 0 287.359 3.387 20 10 CGCDRO CCN1CCc2cc(OC3CC[NH+](C4CC4)CC3)ccc21 ZINC001233601015 818655482 /nfs/dbraw/zinc/65/54/82/818655482.db2.gz FJCRNDOGIGAZRP-UHFFFAOYSA-N 1 0 286.419 3.075 20 10 CGCDRO Oc1c(C[N@@H+]2CCC3(CC3)C2)cccc1OC(F)(F)F ZINC001233736307 818694449 /nfs/dbraw/zinc/69/44/49/818694449.db2.gz HBXZTGPIJAKAPZ-UHFFFAOYSA-N 1 0 287.281 3.277 20 10 CGCDRO COc1ccc2ccc(O)c(C[NH+]3CC(C)C3)c2c1 ZINC001234526021 818874088 /nfs/dbraw/zinc/87/40/88/818874088.db2.gz OUNVVFNYNUAMAR-UHFFFAOYSA-N 1 0 257.333 3.006 20 10 CGCDRO CC(C)(C)c1ccc(C[N@@H+]2CC[C@@H]3CCO[C@H]3C2)c(O)c1 ZINC001235684456 819141976 /nfs/dbraw/zinc/14/19/76/819141976.db2.gz XQMYASLGLGVMJK-DYVFJYSZSA-N 1 0 289.419 3.301 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(CN(CC[NH3+])C(C)C)cc1 ZINC001235947912 819238537 /nfs/dbraw/zinc/23/85/37/819238537.db2.gz HSQBLSLKXAWMAC-UHFFFAOYSA-N 1 0 285.435 3.263 20 10 CGCDRO CCC[C@@H]1C[NH2+]CCN1Cc1ccc(N(CC)CC)cc1 ZINC001236132962 819336761 /nfs/dbraw/zinc/33/67/61/819336761.db2.gz SUJRTHHYMVNENA-GOSISDBHSA-N 1 0 289.467 3.107 20 10 CGCDRO CCCN(Cc1cc2ccccc2cc1O)[C@@H]1CC[NH2+]C1 ZINC001236323267 819425614 /nfs/dbraw/zinc/42/56/14/819425614.db2.gz CFZKFTHYWINIJJ-QGZVFWFLSA-N 1 0 284.403 3.119 20 10 CGCDRO CCCN(Cc1ccc(N(CC)CC)cc1)[C@H]1CC[NH2+]C1 ZINC001236323197 819425895 /nfs/dbraw/zinc/42/58/95/819425895.db2.gz XNQPFZKTOAZMLM-SFHVURJKSA-N 1 0 289.467 3.107 20 10 CGCDRO COc1ccc2c(c1)C[N@@H+](Cc1ccc(N)cc1)CCC2 ZINC001236432869 819477066 /nfs/dbraw/zinc/47/70/66/819477066.db2.gz DURYTZGVIOWTKE-UHFFFAOYSA-N 1 0 282.387 3.226 20 10 CGCDRO COc1cc(O)c(C[NH+]2[C@H](C)CCC[C@H]2C)cc1OC ZINC001236750404 819589579 /nfs/dbraw/zinc/58/95/79/819589579.db2.gz MACAGKCYABCDPS-VXGBXAGGSA-N 1 0 279.380 3.172 20 10 CGCDRO CCc1ccc(C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)c(O)c1 ZINC001236788831 819595052 /nfs/dbraw/zinc/59/50/52/819595052.db2.gz RCCVGYYAOXCHQU-QGZVFWFLSA-N 1 0 298.386 3.003 20 10 CGCDRO CCc1ccc(C[NH+]2CC3(C2)CC(F)(F)CS3)c(O)c1 ZINC001236789662 819595421 /nfs/dbraw/zinc/59/54/21/819595421.db2.gz CVPNRIOIBUXQMC-UHFFFAOYSA-N 1 0 299.386 3.281 20 10 CGCDRO CCc1ccc(C[N@H+](C)Cc2cccc3c2OCO3)c(O)c1 ZINC001236788586 819595805 /nfs/dbraw/zinc/59/58/05/819595805.db2.gz PKLOSPVATKFXPR-UHFFFAOYSA-N 1 0 299.370 3.315 20 10 CGCDRO C[C@]1(O)CCC[N@H+](Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236795545 819596835 /nfs/dbraw/zinc/59/68/35/819596835.db2.gz GFSSQSYTSODUCL-ZDUSSCGKSA-N 1 0 290.190 3.046 20 10 CGCDRO COc1cc(O)c(C[NH+]2CCCCC2)c(Cl)c1 ZINC001236801433 819599373 /nfs/dbraw/zinc/59/93/73/819599373.db2.gz CMKVXOUZOXYQAK-UHFFFAOYSA-N 1 0 255.745 3.040 20 10 CGCDRO CC[N@H+](Cc1c(O)cc(OC)cc1Cl)C1CC1 ZINC001236799677 819599967 /nfs/dbraw/zinc/59/99/67/819599967.db2.gz VMUWBFYLGKXUQT-UHFFFAOYSA-N 1 0 255.745 3.039 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CCCC[C@H](F)C2)c(O)c1 ZINC001236808063 819603055 /nfs/dbraw/zinc/60/30/55/819603055.db2.gz LHLBYOWYUYOWJP-LBPRGKRZSA-N 1 0 267.344 3.033 20 10 CGCDRO O=C1CCC[C@@H]2C[N@@H+](Cc3cc4ccccc4cc3O)C[C@H]12 ZINC001236835768 819614630 /nfs/dbraw/zinc/61/46/30/819614630.db2.gz RVFHIMUZXCIYLC-WBVHZDCISA-N 1 0 295.382 3.346 20 10 CGCDRO CC[N@H+](Cc1cc2ccccc2cc1O)C1CCN(C)CC1 ZINC001236838758 819616910 /nfs/dbraw/zinc/61/69/10/819616910.db2.gz BVGRDAIUBOZVFQ-UHFFFAOYSA-N 1 0 298.430 3.462 20 10 CGCDRO Oc1cc2ccccc2cc1C[N@@H+]1CCOC[C@H]1C1CC1 ZINC001236836599 819617053 /nfs/dbraw/zinc/61/70/53/819617053.db2.gz LHPAIOYQRDHYDN-KRWDZBQOSA-N 1 0 283.371 3.156 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2CCOCC23CCC3)c(O)c1 ZINC001237047953 819649905 /nfs/dbraw/zinc/64/99/05/819649905.db2.gz BBWFGQAVAXLRJA-UHFFFAOYSA-N 1 0 275.392 3.271 20 10 CGCDRO CC[NH+](CC)CCN(C)Cc1ccc(C(C)C)cc1O ZINC001237047020 819650002 /nfs/dbraw/zinc/65/00/02/819650002.db2.gz JQSSUDQHMQNYEN-UHFFFAOYSA-N 1 0 278.440 3.289 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2CCC[C@@H](O)[C@@H](C)C2)c(O)c1 ZINC001237044415 819651016 /nfs/dbraw/zinc/65/10/16/819651016.db2.gz CSGMBDXZFOBRSB-XJKSGUPXSA-N 1 0 277.408 3.108 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2C[C@@H](C)OC[C@H]2C)c(O)c1 ZINC001237056264 819654009 /nfs/dbraw/zinc/65/40/09/819654009.db2.gz VXGVGABQGOGUHK-CHWSQXEVSA-N 1 0 263.381 3.125 20 10 CGCDRO Oc1cccc(OC(F)(F)F)c1C[N@@H+]1CCC2(CC2)C1 ZINC001237115831 819671510 /nfs/dbraw/zinc/67/15/10/819671510.db2.gz IUNPXMPNRRWIFG-UHFFFAOYSA-N 1 0 287.281 3.277 20 10 CGCDRO C[C@H]1CCC[N@H+](Cc2c(O)ccc(F)c2Cl)C1 ZINC001237119041 819671977 /nfs/dbraw/zinc/67/19/77/819671977.db2.gz ADBIHQGPEJNWPD-VIFPVBQESA-N 1 0 257.736 3.417 20 10 CGCDRO Oc1ccc(F)c(Cl)c1C[N@@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001237125977 819672945 /nfs/dbraw/zinc/67/29/45/819672945.db2.gz XMSNIHYVFBTVAU-DKCNOQQISA-N 1 0 273.710 3.117 20 10 CGCDRO Cc1cc(Cl)cc(CN2CC[NH2+]C3=CCCC[C@H]32)c1O ZINC001237229912 819707314 /nfs/dbraw/zinc/70/73/14/819707314.db2.gz QUEZXNQAEQQONY-OAHLLOKOSA-N 1 0 292.810 3.196 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@](CF)(C(F)(F)F)C1 ZINC001237485771 819761730 /nfs/dbraw/zinc/76/17/30/819761730.db2.gz SHFCTIUURSMIEK-CYBMUJFWSA-N 1 0 291.288 3.425 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCCC(F)(F)[C@@H](F)C1 ZINC001237486192 819762690 /nfs/dbraw/zinc/76/26/90/819762690.db2.gz WZJIZPAASVNWKR-ZDUSSCGKSA-N 1 0 273.298 3.270 20 10 CGCDRO COc1cc(C[N@@H+]2CC[C@H]3CCC[C@H]3C2)c(O)c(OC)c1 ZINC001237670229 819803321 /nfs/dbraw/zinc/80/33/21/819803321.db2.gz QYLZWFWGYDIISW-OLZOCXBDSA-N 1 0 291.391 3.031 20 10 CGCDRO CCC[N@H+](CCOC)Cc1cc(Cl)cc(C)c1O ZINC001237680501 819805468 /nfs/dbraw/zinc/80/54/68/819805468.db2.gz CGHXCAZUQGBSMS-UHFFFAOYSA-N 1 0 271.788 3.212 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@]3(CCCO3)C2)c1O ZINC001237680486 819806117 /nfs/dbraw/zinc/80/61/17/819806117.db2.gz CAWGZSVSPCVBDK-OAHLLOKOSA-N 1 0 281.783 3.109 20 10 CGCDRO Cc1cc(Cl)cc(C[NH+]2CCC3(CCOC3)CC2)c1O ZINC001237681389 819806758 /nfs/dbraw/zinc/80/67/58/819806758.db2.gz OUEXCZDNTMQSJO-UHFFFAOYSA-N 1 0 295.810 3.357 20 10 CGCDRO CC[N@H+](CCn1ccnc1)Cc1cc(Cl)cc(C)c1O ZINC001237688302 819808906 /nfs/dbraw/zinc/80/89/06/819808906.db2.gz HNXWSWOKIKZMET-UHFFFAOYSA-N 1 0 293.798 3.073 20 10 CGCDRO [O-]c1cc(Cl)c(F)cc1C[N@@H+]1CCC2(CC2)C1 ZINC001237933569 819886056 /nfs/dbraw/zinc/88/60/56/819886056.db2.gz CYEOFZOXXRPTCJ-UHFFFAOYSA-N 1 0 255.720 3.171 20 10 CGCDRO CCN(CC[NH+](CC)CC)Cc1cc(F)cc(C)c1O ZINC001238062955 819921638 /nfs/dbraw/zinc/92/16/38/819921638.db2.gz VBRVNLFQTUEEQG-UHFFFAOYSA-N 1 0 282.403 3.003 20 10 CGCDRO Cc1ccc(O)cc1C[N@@H+](C)Cc1ccccc1O ZINC001238102849 819933371 /nfs/dbraw/zinc/93/33/71/819933371.db2.gz KEYWNZJJNFZDBM-UHFFFAOYSA-N 1 0 257.333 3.038 20 10 CGCDRO CC(C)Oc1cncc(C[N@H+](C)Cc2ccccc2O)c1 ZINC001238472050 820013108 /nfs/dbraw/zinc/01/31/08/820013108.db2.gz SQBPRHNRNPRRNN-UHFFFAOYSA-N 1 0 286.375 3.206 20 10 CGCDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)[C@@H](CO)C(C)(C)C ZINC001341569692 936442873 /nfs/dbraw/zinc/44/28/73/936442873.db2.gz TVUDCDSFNCQYJM-KRWDZBQOSA-N 1 0 290.451 3.126 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2CC[C@@H](C)O[C@@H](C)C2)cc1C ZINC001347237386 936874961 /nfs/dbraw/zinc/87/49/61/936874961.db2.gz JQVGLCIGQOWEGX-KGLIPLIRSA-N 1 0 263.381 3.008 20 10 CGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@H]2CCC(C)(C)O2)cc1F ZINC001348272691 936915886 /nfs/dbraw/zinc/91/58/86/936915886.db2.gz XEOZZPWAJMVJEI-GFCCVEGCSA-N 1 0 298.377 3.078 20 10 CGCDRO C[C@@H](Cc1cccc(F)c1)[N@H+](C)Cc1ccc(N)cc1 ZINC001352791097 937049790 /nfs/dbraw/zinc/04/97/90/937049790.db2.gz UXXBPOZBDMQDEM-ZDUSSCGKSA-N 1 0 272.367 3.471 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2C=CCCC2)cc1Cn1cccn1 ZINC001352836281 937050630 /nfs/dbraw/zinc/05/06/30/937050630.db2.gz HGFKRXFADJYVIE-KRWDZBQOSA-N 1 0 297.402 3.138 20 10 CGCDRO [O-]c1c(Cl)cccc1C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001345957107 926696700 /nfs/dbraw/zinc/69/67/00/926696700.db2.gz SFSQZWBYKLSCRX-UHFFFAOYSA-N 1 0 294.826 3.011 20 10 CGCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@@](C)(F)[C@H](F)C2)c1O ZINC001140178341 931956980 /nfs/dbraw/zinc/95/69/80/931956980.db2.gz ISKHDSQWGAPTPB-UKRRQHHQSA-N 1 0 269.335 3.281 20 10 CGCDRO COc1ccc(C[N@@H+]2Cc3ccccc3C[C@H]2C)c(O)c1 ZINC000179911348 932015875 /nfs/dbraw/zinc/01/58/75/932015875.db2.gz BWWFJEKZZQXZCD-CYBMUJFWSA-N 1 0 283.371 3.348 20 10 CGCDRO CC(C)CC[C@@](C)(O)C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001461225940 937570487 /nfs/dbraw/zinc/57/04/87/937570487.db2.gz DIWOKMSHPRKDBB-GOSISDBHSA-N 1 0 291.435 3.288 20 10 CGCDRO CC[C@H](CSC)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001461391671 937579046 /nfs/dbraw/zinc/57/90/46/937579046.db2.gz LFEXUBUSWPVLDJ-CQSZACIVSA-N 1 0 265.422 3.243 20 10 CGCDRO CCC[C@H](C)[C@@H](CO)[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC001461614767 937588538 /nfs/dbraw/zinc/58/85/38/937588538.db2.gz AAHFQFSFYJTYCD-MAUKXSAKSA-N 1 0 292.467 3.420 20 10 CGCDRO Oc1cc(Cl)ccc1C[N@@H+]1CCC[C@H]1C1CC1 ZINC001461896279 937604722 /nfs/dbraw/zinc/60/47/22/937604722.db2.gz DDWGUGUORZUNLW-ZDUSSCGKSA-N 1 0 251.757 3.420 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cccn2C(F)F)c1 ZINC001462205578 937625074 /nfs/dbraw/zinc/62/50/74/937625074.db2.gz FDZLWACHBYKYSN-JTQLQIEISA-N 1 0 296.317 3.448 20 10 CGCDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cc1ccc(Cl)cc1O ZINC001462213798 937625592 /nfs/dbraw/zinc/62/55/92/937625592.db2.gz CLMCCMCRTOSTSX-SWLSCSKDSA-N 1 0 294.826 3.104 20 10 CGCDRO C[NH+](C)C1(C)CCC([NH2+]Cc2cc(F)c(F)cc2[O-])CC1 ZINC001462513041 937646380 /nfs/dbraw/zinc/64/63/80/937646380.db2.gz BHEDKWSECNYKPJ-UHFFFAOYSA-N 1 0 298.377 3.023 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC(C)(C)CC[C@@H]2CO)cc1Cl ZINC001462531194 937648065 /nfs/dbraw/zinc/64/80/65/937648065.db2.gz CXXOLQJLKABBIH-CYBMUJFWSA-N 1 0 297.826 3.337 20 10 CGCDRO CC(C)[C@H]1OCCC[C@H]1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC001308293970 933089702 /nfs/dbraw/zinc/08/97/02/933089702.db2.gz YECHZUMKVURRGR-FUHWJXTLSA-N 1 0 289.419 3.162 20 10 CGCDRO CC1CCC(O)(C[NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC001308478934 933117543 /nfs/dbraw/zinc/11/75/43/933117543.db2.gz WRBLPPFAMWRBHG-UHFFFAOYSA-N 1 0 289.419 3.042 20 10 CGCDRO CCOC(=O)C[C@](C)([NH2+]Cc1ccc(C)cc1O)C(C)C ZINC001308708521 933163650 /nfs/dbraw/zinc/16/36/50/933163650.db2.gz DYMARIUATIUALS-KRWDZBQOSA-N 1 0 293.407 3.158 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+][C@H](C)[C@@H]2CCOC2)c1 ZINC001308721246 933164601 /nfs/dbraw/zinc/16/46/01/933164601.db2.gz RIBWHEFBVODLGL-TZMCWYRMSA-N 1 0 263.381 3.030 20 10 CGCDRO CCC[C@]1(CO)CCC[N@@H+]1Cc1ccc(N(C)C)cc1C ZINC001308729282 933165438 /nfs/dbraw/zinc/16/54/38/933165438.db2.gz SRNFICCVIABELG-GOSISDBHSA-N 1 0 290.451 3.188 20 10 CGCDRO CC(C)O[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001308851625 933190658 /nfs/dbraw/zinc/19/06/58/933190658.db2.gz SMCJOKIQPVTLQN-AWEZNQCLSA-N 1 0 283.799 3.435 20 10 CGCDRO COc1cc(C)cc(C[NH2+]C[C@@H]2CCC[C@@H]3C[C@@H]32)c1O ZINC001308864642 933193004 /nfs/dbraw/zinc/19/30/04/933193004.db2.gz NFQFYFYJYHOLQM-IPYPFGDCSA-N 1 0 275.392 3.235 20 10 CGCDRO CCC[C@H](C[NH2+]Cc1ccc(Cl)cc1O)OCC ZINC001308881641 933196576 /nfs/dbraw/zinc/19/65/76/933196576.db2.gz XUZNEAQFDNTACJ-CYBMUJFWSA-N 1 0 271.788 3.340 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@@H](C)CC2CCC2)c1O ZINC001308887727 933197577 /nfs/dbraw/zinc/19/75/77/933197577.db2.gz XTFRPFZXJRUDOS-LBPRGKRZSA-N 1 0 263.381 3.378 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)CC(=O)OC(C)(C)C)c(O)c1 ZINC001320253500 934020877 /nfs/dbraw/zinc/02/08/77/934020877.db2.gz WVVGXIAFXRTTEC-QWHCGFSZSA-N 1 0 293.407 3.472 20 10 CGCDRO CC[C@]1(CO)CCC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001320677359 934084841 /nfs/dbraw/zinc/08/48/41/934084841.db2.gz SZZNYVPQYSZBMB-GOSISDBHSA-N 1 0 288.435 3.024 20 10 CGCDRO COc1cccnc1C[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2C ZINC001324551335 934523537 /nfs/dbraw/zinc/52/35/37/934523537.db2.gz PBRWPTLFKNKRAT-STQMWFEESA-N 1 0 298.386 3.442 20 10 CGCDRO CC(C)[C@@]1(CO)CC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC001324555894 934523859 /nfs/dbraw/zinc/52/38/59/934523859.db2.gz YBYQUUAYKCLKLR-IBGZPJMESA-N 1 0 299.414 3.386 20 10 CGCDRO CCC(O)(CC)CC[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001326187177 934957949 /nfs/dbraw/zinc/95/79/49/934957949.db2.gz WMHDKTMAFNOGEG-UHFFFAOYSA-N 1 0 290.451 3.318 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+]C2C[C@@H]3[C@H](C2)C3(F)F)cc1 ZINC001327197254 935043988 /nfs/dbraw/zinc/04/39/88/935043988.db2.gz ARVJHAMSLZBZDJ-HCYWJTFHSA-N 1 0 292.373 3.399 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC001329588986 935231081 /nfs/dbraw/zinc/23/10/81/935231081.db2.gz UCNUGWVBMGHGCU-OSRDXIQISA-N 1 0 287.403 3.142 20 10 CGCDRO C[C@@H]([NH2+]C1CC2(CC2(F)F)C1)c1cc(F)ccc1O ZINC001333324316 935525883 /nfs/dbraw/zinc/52/58/83/935525883.db2.gz BBOGYYQXSGJNQH-NCZMNARYSA-N 1 0 271.282 3.370 20 10 CGCDRO Cc1nc(C[NH2+][C@@H](C)c2ccccc2O)c(C)s1 ZINC001333443446 935535697 /nfs/dbraw/zinc/53/56/97/935535697.db2.gz NSMNJZSHCACLPB-VIFPVBQESA-N 1 0 262.378 3.316 20 10 CGCDRO CCS[C@H]1CC[C@H]([N@H+](C)Cc2ccc(N)cc2)C1 ZINC001334774274 936113008 /nfs/dbraw/zinc/11/30/08/936113008.db2.gz HRGYGCVPBHSAMJ-GJZGRUSLSA-N 1 0 264.438 3.375 20 10 CGCDRO Nc1ccc(C[N@@H+]2CCC[C@@H](Cc3nccs3)C2)cc1 ZINC001336118905 936176935 /nfs/dbraw/zinc/17/69/35/936176935.db2.gz MEMBZFAIMLSJQE-AWEZNQCLSA-N 1 0 287.432 3.180 20 10 CGCDRO C[C@@H]([NH2+]Cc1cc(-n2ccnc2)cs1)c1ccccc1O ZINC001474253849 937846949 /nfs/dbraw/zinc/84/69/49/937846949.db2.gz XPDRHOYYSQOBJF-GFCCVEGCSA-N 1 0 299.399 3.490 20 10 CGCDRO COc1ccc(C[N@@H+]2C[C@H](C)CCC[C@H]2C)c(O)c1OC ZINC001474371034 937855419 /nfs/dbraw/zinc/85/54/19/937855419.db2.gz LGQNEANFCHXZBB-CHWSQXEVSA-N 1 0 293.407 3.420 20 10 CGCDRO Cc1cc(O)c(C[N@H+](C)C[C@H]2CCCC[C@@H]2O)cc1Cl ZINC001474390558 937856444 /nfs/dbraw/zinc/85/64/44/937856444.db2.gz HLGNVYQBIGVNBK-DOMZBBRYSA-N 1 0 297.826 3.337 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+]CCO[C@H]2CC2(F)F)c1 ZINC001474619349 937870632 /nfs/dbraw/zinc/87/06/32/937870632.db2.gz USSYEDOJXJXAJX-AWEZNQCLSA-N 1 0 285.334 3.029 20 10 CGCDRO Cn1c(C[N@@H+]2Cc3cccc(O)c3C2)cc2ccccc21 ZINC001474677576 937874388 /nfs/dbraw/zinc/87/43/88/937874388.db2.gz QAQITMHSTPDQSU-UHFFFAOYSA-N 1 0 278.355 3.400 20 10 CGCDRO Cc1cc(C[N@H+]2C[C@@H](C)OCC[C@H]2C)ccc1N(C)C ZINC001560233146 938248584 /nfs/dbraw/zinc/24/85/84/938248584.db2.gz SIRPULIPIXXUNF-HUUCEWRRSA-N 1 0 276.424 3.060 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H](C)N2CCCCC2)c(Cl)c1 ZINC001560284173 938250989 /nfs/dbraw/zinc/25/09/89/938250989.db2.gz HJDBJIHHHXWSCI-CYBMUJFWSA-N 1 0 296.842 3.318 20 10 CGCDRO c1cc2c(cc1C[NH2+][C@@H]1C[C@@H]3CCC[C@@H]13)CCCO2 ZINC001560615368 938265746 /nfs/dbraw/zinc/26/57/46/938265746.db2.gz NSPADDPLQBIPRU-NUEKZKHPSA-N 1 0 257.377 3.290 20 10 CGCDRO CCOC[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001560692088 938270573 /nfs/dbraw/zinc/27/05/73/938270573.db2.gz FMUMPRAODFJBHC-GFCCVEGCSA-N 1 0 283.799 3.294 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+][C@@H]2CSC[C@H]2C)c1 ZINC001560823581 938278068 /nfs/dbraw/zinc/27/80/68/938278068.db2.gz LGGGRNDISUPJOG-BXUZGUMPSA-N 1 0 265.422 3.357 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)c1 ZINC001561002655 938288685 /nfs/dbraw/zinc/28/86/85/938288685.db2.gz WKKQAYJZYNISDM-UAGQMJEPSA-N 1 0 287.403 3.196 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]Cc2ccc(N)cc2)c1 ZINC001579258744 960482622 /nfs/dbraw/zinc/48/26/22/960482622.db2.gz AAGQBXHNSWWHKZ-LBPRGKRZSA-N 1 0 256.349 3.128 20 10 CGCDRO CC(C)(CO)[C@@H]([NH2+]Cc1ccc(N)cc1)c1cccs1 ZINC001575338564 962366842 /nfs/dbraw/zinc/36/68/42/962366842.db2.gz QUIRBPCXQSCEES-HNNXBMFYSA-N 1 0 290.432 3.180 20 10 CGCDRO CC(C)OC1CCC([NH2+]Cc2ccc(N)cc2)CC1 ZINC001575751120 962413199 /nfs/dbraw/zinc/41/31/99/962413199.db2.gz RAOZVMVLSZRNMA-UHFFFAOYSA-N 1 0 262.397 3.095 20 10 CGCDRO CCOc1ccc(N(CC2CC2)C[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC001578181919 962571027 /nfs/dbraw/zinc/57/10/27/962571027.db2.gz RBKHKRVUKVRQNP-ZBFHGGJFSA-N 1 0 288.435 3.157 20 10 CGCDRO CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]Cc1ccc(N)cc1 ZINC001578920827 962601576 /nfs/dbraw/zinc/60/15/76/962601576.db2.gz SVFXETXXDIFBJW-CXAGYDPISA-N 1 0 270.376 3.135 20 10 CGCDRO Nc1ccc(C[NH2+]Cc2cccc(OC(F)F)c2)cc1 ZINC001580446955 962726573 /nfs/dbraw/zinc/72/65/73/962726573.db2.gz LYOLJPFVVIEPEU-UHFFFAOYSA-N 1 0 278.302 3.160 20 10 CGCDRO c1ccc2c(c1)NC[C@@H]2CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC001580896589 962744875 /nfs/dbraw/zinc/74/48/75/962744875.db2.gz JMPKPILTANBNLW-INIZCTEOSA-N 1 0 294.398 3.311 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CCCc2nccs2)cc1F ZINC000076892780 345553951 /nfs/dbraw/zinc/55/39/51/345553951.db2.gz WXZDDTCNTKFWLS-UHFFFAOYSA-N 1 0 293.411 3.071 20 10 CGCDRO COc1ccc(C[NH2+][C@H](CCO)c2ccccc2)cc1C ZINC000077468443 345573806 /nfs/dbraw/zinc/57/38/06/345573806.db2.gz NILAOVJLYBFMDG-QGZVFWFLSA-N 1 0 285.387 3.217 20 10 CGCDRO C[C@@H]([NH2+][C@@H](CO)c1ccccc1)c1cc(Cl)ccc1O ZINC000169520463 346192668 /nfs/dbraw/zinc/19/26/68/346192668.db2.gz AOCYTOVTKNCQLT-ABAIWWIYSA-N 1 0 291.778 3.430 20 10 CGCDRO CCC[N@@H+](Cc1ccccc1O)CC1CCC(=O)CC1 ZINC000295103938 283297461 /nfs/dbraw/zinc/29/74/61/283297461.db2.gz UNFFBRRFPBVYCJ-UHFFFAOYSA-N 1 0 275.392 3.364 20 10 CGCDRO C[N@H+](Cc1c(O)ccc2ccccc21)[C@@H]1CCSC1 ZINC000125027979 370928890 /nfs/dbraw/zinc/92/88/90/370928890.db2.gz OMKZSKLBNAFNER-CYBMUJFWSA-N 1 0 273.401 3.483 20 10 CGCDRO CN(CCC[NH2+]Cc1ccccc1O)c1ccccc1 ZINC000019906523 368780141 /nfs/dbraw/zinc/78/01/41/368780141.db2.gz LTEMOOORDHGREK-UHFFFAOYSA-N 1 0 270.376 3.008 20 10 CGCDRO COc1ccc(C[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000019909042 368780416 /nfs/dbraw/zinc/78/04/16/368780416.db2.gz HSIWRLQFYFMODL-GFCCVEGCSA-N 1 0 257.333 3.252 20 10 CGCDRO CN(C)c1ccc(C[NH2+]Cc2csc([N+](=O)[O-])c2)cc1 ZINC000037562630 369089189 /nfs/dbraw/zinc/08/91/89/369089189.db2.gz FVIGKEVEXSSAOK-UHFFFAOYSA-N 1 0 291.376 3.012 20 10 CGCDRO O[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000051993787 369459650 /nfs/dbraw/zinc/45/96/50/369459650.db2.gz DJADDBOZFPTXRL-ZWKOTPCHSA-N 1 0 288.435 3.070 20 10 CGCDRO C[C@@H]([NH2+]Cc1cccc(N(C)C)n1)c1ccc(N(C)C)cc1 ZINC000090851835 370069861 /nfs/dbraw/zinc/06/98/61/370069861.db2.gz LBHXLXBVUJPYCL-CQSZACIVSA-N 1 0 298.434 3.064 20 10 CGCDRO C[C@@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1cc(F)ccc1O ZINC000134797050 371365480 /nfs/dbraw/zinc/36/54/80/371365480.db2.gz BPRXTPIJUOGEQY-LPGAHRBXSA-N 1 0 291.366 3.140 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCc2ccccn2)cc1 ZINC000151393986 371599271 /nfs/dbraw/zinc/59/92/71/371599271.db2.gz IUHOHUHUONPJNE-OAHLLOKOSA-N 1 0 283.419 3.431 20 10 CGCDRO C[C@H](CF)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000288354619 371735477 /nfs/dbraw/zinc/73/54/77/371735477.db2.gz CLBJLWKTVSHRRI-SECBINFHSA-N 1 0 278.293 3.219 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCCC[C@H]2c2cc[nH]n2)c1 ZINC000289354085 371755430 /nfs/dbraw/zinc/75/54/30/371755430.db2.gz JMUWHHSSHNBNFU-HNNXBMFYSA-N 1 0 271.364 3.151 20 10 CGCDRO CCc1nc(C)c(C[NH2+][C@@H](CC)c2ccccc2O)o1 ZINC000291987185 372178583 /nfs/dbraw/zinc/17/85/83/372178583.db2.gz WFSXNDTYTJWYSI-ZDUSSCGKSA-N 1 0 274.364 3.492 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCOC(C)(C)C2)c1 ZINC000159930399 372194603 /nfs/dbraw/zinc/19/46/03/372194603.db2.gz VEUSKLDDCOCBPD-NEPJUHHUSA-N 1 0 279.380 3.009 20 10 CGCDRO CC[C@H]([NH2+]CCC1(OC)CCC1)c1ccccc1O ZINC000293725217 372463085 /nfs/dbraw/zinc/46/30/85/372463085.db2.gz GBENMRWHXDIABE-AWEZNQCLSA-N 1 0 263.381 3.392 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCCSC1)c1cc(F)ccc1O ZINC000168817459 372621183 /nfs/dbraw/zinc/62/11/83/372621183.db2.gz QEGGUCMKOAPCES-ONGXEEELSA-N 1 0 255.358 3.078 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)c1cnn(CC)c1)c1ccccc1O ZINC000294952798 372682036 /nfs/dbraw/zinc/68/20/36/372682036.db2.gz WAHYNSSYZIUTQQ-DOMZBBRYSA-N 1 0 273.380 3.411 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCc2nccnc2C)c(O)c1C ZINC000295026471 372686760 /nfs/dbraw/zinc/68/67/60/372686760.db2.gz OBOHPPYXJYNBCL-ZDUSSCGKSA-N 1 0 285.391 3.001 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC=C(c3cccnc3)C2)cc1 ZINC000295166177 372696608 /nfs/dbraw/zinc/69/66/08/372696608.db2.gz FMXKFMOTRVGCIL-UHFFFAOYSA-N 1 0 293.414 3.437 20 10 CGCDRO CC(C)N(CC[NH2+][C@@H]1CCc2cccc(O)c21)C(C)C ZINC000296012352 372992920 /nfs/dbraw/zinc/99/29/20/372992920.db2.gz OXJFISJFHRUDCD-OAHLLOKOSA-N 1 0 276.424 3.088 20 10 CGCDRO C[C@H](CC(C)(C)O)[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000296343152 373096329 /nfs/dbraw/zinc/09/63/29/373096329.db2.gz HWQKFELIPMJFLN-CHWSQXEVSA-N 1 0 291.435 3.471 20 10 CGCDRO CCOC[C@H]([NH2+][C@H]1CCc2cccc(O)c21)C(C)C ZINC000296360675 373104093 /nfs/dbraw/zinc/10/40/93/373104093.db2.gz HZPJGJVLLFXAJM-KBPBESRZSA-N 1 0 263.381 3.030 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H](C)CC(C)(C)O)c(O)c1C ZINC000296587667 373186901 /nfs/dbraw/zinc/18/69/01/373186901.db2.gz UTYCJHNASHYXTD-YPMHNXCESA-N 1 0 265.397 3.209 20 10 CGCDRO CC(C)[C@@H]1OCCC[C@H]1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296714082 373227306 /nfs/dbraw/zinc/22/73/06/373227306.db2.gz IIXAPGGSGADVCH-DAYGRLMNSA-N 1 0 289.419 3.420 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@@H]2CCc3cccc(O)c32)cn1 ZINC000297807112 373281808 /nfs/dbraw/zinc/28/18/08/373281808.db2.gz QQWTYLCQSIOGKO-OAHLLOKOSA-N 1 0 298.386 3.353 20 10 CGCDRO C[C@H]([NH2+]Cc1cccc(CO)c1)c1ccc(N(C)C)cc1 ZINC000177840133 373714382 /nfs/dbraw/zinc/71/43/82/373714382.db2.gz WZEJIBREUKJVSU-AWEZNQCLSA-N 1 0 284.403 3.096 20 10 CGCDRO Oc1ccccc1C[N@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000179586064 373890140 /nfs/dbraw/zinc/89/01/40/373890140.db2.gz JMVBIJNOGTVQCN-ZBFHGGJFSA-N 1 0 287.359 3.073 20 10 CGCDRO Cc1cccc(C[N@H+](C)Cc2ccc(Cl)nc2)c1O ZINC000179664145 373900394 /nfs/dbraw/zinc/90/03/94/373900394.db2.gz PECZKZZEVBBFGB-UHFFFAOYSA-N 1 0 276.767 3.381 20 10 CGCDRO COc1ccc(O)c(C[N@H+](C)CCc2cccs2)c1 ZINC000180476649 374013250 /nfs/dbraw/zinc/01/32/50/374013250.db2.gz FTCGWSBDFSFGBP-UHFFFAOYSA-N 1 0 277.389 3.137 20 10 CGCDRO C[C@@H](O)c1ccc(C[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC000183442653 374413391 /nfs/dbraw/zinc/41/33/91/374413391.db2.gz HIRGVTDEVBFTHI-QWHCGFSZSA-N 1 0 271.360 3.296 20 10 CGCDRO C[C@H](CN1CCC[C@H](C)C1)[NH2+][C@@H](C)c1ccccc1O ZINC000183443576 374413555 /nfs/dbraw/zinc/41/35/55/374413555.db2.gz BYRURRFYYGUYQJ-ZNMIVQPWSA-N 1 0 276.424 3.163 20 10 CGCDRO C[C@H]([NH2+][C@@H]1COc2ccccc2C1)c1ccccc1O ZINC000183466886 374418551 /nfs/dbraw/zinc/41/85/51/374418551.db2.gz YUMQYRYHQUGYPS-JSGCOSHPSA-N 1 0 269.344 3.047 20 10 CGCDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2O)C12CCC2 ZINC000183530859 374424985 /nfs/dbraw/zinc/42/49/85/374424985.db2.gz AZCSLHLJEZOWMU-APHBMKBZSA-N 1 0 275.392 3.391 20 10 CGCDRO CC[S@@](=O)[C@H]1CCC[C@H]([NH2+][C@@H](C)c2ccccc2O)C1 ZINC000183545841 374426500 /nfs/dbraw/zinc/42/65/00/374426500.db2.gz MARLRKHLIAMPGT-DBHZFRFHSA-N 1 0 295.448 3.123 20 10 CGCDRO CCC(CC)(C[NH2+][C@H](C)c1ccccc1O)C(=O)OC ZINC000183880769 374468892 /nfs/dbraw/zinc/46/88/92/374468892.db2.gz FOHYFUCGRQJFPG-GFCCVEGCSA-N 1 0 279.380 3.022 20 10 CGCDRO COCCCC[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000185037427 374578408 /nfs/dbraw/zinc/57/84/08/374578408.db2.gz ITTCSFZNOJPWGI-CYBMUJFWSA-N 1 0 277.408 3.348 20 10 CGCDRO C[C@@H]([NH2+]CC1CCOCC1)c1cc2c(cc1O)CCCC2 ZINC000185261444 374623955 /nfs/dbraw/zinc/62/39/55/374623955.db2.gz JCWPDFSTKQKCAO-CYBMUJFWSA-N 1 0 289.419 3.348 20 10 CGCDRO Cc1nccn1CCCC[NH2+][C@H](C)c1cc(F)ccc1O ZINC000185545501 374685202 /nfs/dbraw/zinc/68/52/02/374685202.db2.gz TYLRMVRGORCXOH-GFCCVEGCSA-N 1 0 291.370 3.167 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CCCC[C@H](C)C2)cc1OC ZINC000187517844 375033886 /nfs/dbraw/zinc/03/38/86/375033886.db2.gz VSLOWJUUDNAVEO-LBPRGKRZSA-N 1 0 279.380 3.031 20 10 CGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000475195116 375131550 /nfs/dbraw/zinc/13/15/50/375131550.db2.gz HEYUBPRYOLQLPL-QGTPRVQTSA-N 1 0 298.430 3.390 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCS[C@H](C)CC2)c1 ZINC000190700394 375532674 /nfs/dbraw/zinc/53/26/74/375532674.db2.gz XOYSLEBYXGSNSC-GFCCVEGCSA-N 1 0 251.395 3.028 20 10 CGCDRO CSC1(C[NH2+][C@H](C)c2cc(F)ccc2O)CC1 ZINC000193826127 375928115 /nfs/dbraw/zinc/92/81/15/375928115.db2.gz VLWGBRYCRHRJIQ-SECBINFHSA-N 1 0 255.358 3.078 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H]3CCC[C@H]32)c1 ZINC000228172662 376430669 /nfs/dbraw/zinc/43/06/69/376430669.db2.gz FXFVEVNCMHOBHV-IUODEOHRSA-N 1 0 261.365 3.165 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CC[C@@H](C)OC)cc1 ZINC000268861502 378133283 /nfs/dbraw/zinc/13/32/83/378133283.db2.gz RQDJZJWACZSUJM-KGLIPLIRSA-N 1 0 264.413 3.218 20 10 CGCDRO C[C@@H]([NH2+]Cc1cn2ccccc2n1)c1ccc(N(C)C)cc1 ZINC000268698938 378092225 /nfs/dbraw/zinc/09/22/25/378092225.db2.gz AUONFZOBVFHRBY-CQSZACIVSA-N 1 0 294.402 3.251 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](C)Cn2cccn2)cc1 ZINC000271474145 378495730 /nfs/dbraw/zinc/49/57/30/378495730.db2.gz MHEPNCHOMNKTNK-LSDHHAIUSA-N 1 0 286.423 3.079 20 10 CGCDRO Cc1nn(C)c(C)c1C[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000273366590 378741682 /nfs/dbraw/zinc/74/16/82/378741682.db2.gz BLJRLOZAZLJLKA-LBPRGKRZSA-N 1 0 287.407 3.210 20 10 CGCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2cccs2)c1 ZINC000273389113 378744156 /nfs/dbraw/zinc/74/41/56/378744156.db2.gz KHIOBMBUIWULBW-JTQLQIEISA-N 1 0 291.372 3.091 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCCc2nccs2)c(O)c1 ZINC000273463183 378748967 /nfs/dbraw/zinc/74/89/67/378748967.db2.gz ILOGYBPUOQZUKE-LBPRGKRZSA-N 1 0 276.405 3.441 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCc2ccncc2C)c1 ZINC000273485557 378749965 /nfs/dbraw/zinc/74/99/65/378749965.db2.gz NFDAVFALYWRZMO-CQSZACIVSA-N 1 0 270.376 3.297 20 10 CGCDRO CCc1nnc([C@H](C)[NH2+][C@@H](C)c2ccc(C)c(C)c2O)[nH]1 ZINC000273505240 378750022 /nfs/dbraw/zinc/75/00/22/378750022.db2.gz QXLRCLZIJXVCTG-RYUDHWBXSA-N 1 0 288.395 3.101 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CC2CCOCC2)c(O)c1C ZINC000273556329 378751912 /nfs/dbraw/zinc/75/19/12/378751912.db2.gz GYUDOIPZLYTFAA-ZDUSSCGKSA-N 1 0 263.381 3.086 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CCO[C@H](C)C1)c1cc2c(cc1O)CCCC2 ZINC000273544100 378752452 /nfs/dbraw/zinc/75/24/52/378752452.db2.gz YZXIVIGYCCWHGL-IOASZLSFSA-N 1 0 289.419 3.489 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2COC3(CCCC3)O2)c1 ZINC000273539491 378752807 /nfs/dbraw/zinc/75/28/07/378752807.db2.gz XYSFHKKTFYCJAZ-KGLIPLIRSA-N 1 0 291.391 3.037 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCCc2cnn(C)c2)c(O)c1C ZINC000273573763 378754194 /nfs/dbraw/zinc/75/41/94/378754194.db2.gz LGSXZBHPRPELDX-AWEZNQCLSA-N 1 0 287.407 3.026 20 10 CGCDRO C[C@H]([NH2+]Cc1ccn(C)c1)c1cc2c(cc1O)CCCC2 ZINC000273601789 378755162 /nfs/dbraw/zinc/75/51/62/378755162.db2.gz SCNDCSTVCZEBNG-ZDUSSCGKSA-N 1 0 284.403 3.460 20 10 CGCDRO CSCCC[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000273598079 378755253 /nfs/dbraw/zinc/75/52/53/378755253.db2.gz RDAWWXWCUOTOEO-GFCCVEGCSA-N 1 0 253.411 3.413 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCc3nn(C)cc32)c(O)c1C ZINC000282489783 379930992 /nfs/dbraw/zinc/93/09/92/379930992.db2.gz QXVPWLXTGJFNQO-BBRMVZONSA-N 1 0 299.418 3.471 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCO[C@@H]2c2cccnc2)cc1C ZINC000284416717 380139430 /nfs/dbraw/zinc/13/94/30/380139430.db2.gz BXTUIHKNWOMQIK-FUHWJXTLSA-N 1 0 298.386 3.024 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2CC=C(c3ccnn3C)CC2)cc1C ZINC000285178512 380144968 /nfs/dbraw/zinc/14/49/68/380144968.db2.gz UMJRZBSFXSCXEM-UHFFFAOYSA-N 1 0 297.402 3.032 20 10 CGCDRO Cc1cccc(CCC[NH2+]Cc2ccc(N(C)C)cc2)n1 ZINC000285413598 380148792 /nfs/dbraw/zinc/14/87/92/380148792.db2.gz DEXGNIOPIQXNIU-UHFFFAOYSA-N 1 0 283.419 3.178 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)c2c(F)cncc2F)c1 ZINC000285613679 380150509 /nfs/dbraw/zinc/15/05/09/380150509.db2.gz XNJVTKJSEZJDHG-JTQLQIEISA-N 1 0 278.302 3.225 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCc3cn[nH]c32)c(O)c1C ZINC000363865387 382259557 /nfs/dbraw/zinc/25/95/57/382259557.db2.gz NDIWTQCLLHPRQC-DOMZBBRYSA-N 1 0 285.391 3.460 20 10 CGCDRO CCCO[C@@H]1CCC[N@H+](Cc2cccc(OC)c2O)CC1 ZINC000093317406 392237571 /nfs/dbraw/zinc/23/75/71/392237571.db2.gz UJNNKYCRPJHEIA-OAHLLOKOSA-N 1 0 293.407 3.182 20 10 CGCDRO CC[C@H]([NH2+]CC1(COC)CCC1)c1ccccc1O ZINC000281943694 392260381 /nfs/dbraw/zinc/26/03/81/392260381.db2.gz BRAZYLLYTNQPDX-AWEZNQCLSA-N 1 0 263.381 3.250 20 10 CGCDRO Cc1c(C[N@H+](C)Cc2ccccc2O)cccc1[N+](=O)[O-] ZINC000109769067 392372666 /nfs/dbraw/zinc/37/26/66/392372666.db2.gz WGVSFCKHQVBSRV-UHFFFAOYSA-N 1 0 286.331 3.241 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H](C)c2cccc(O)c2)c1O ZINC000124807297 392437167 /nfs/dbraw/zinc/43/71/67/392437167.db2.gz CIDFUVLXNOUGMN-LBPRGKRZSA-N 1 0 257.333 3.257 20 10 CGCDRO CCOC(C)(C)C[NH2+][C@H](C)c1cc(C)ccc1O ZINC000159217354 392578783 /nfs/dbraw/zinc/57/87/83/392578783.db2.gz YWMBWRNCUDZBRZ-GFCCVEGCSA-N 1 0 251.370 3.166 20 10 CGCDRO CCn1cc([C@H](C)[NH2+]Cc2ccc(N3CCCC3)cc2)cn1 ZINC000177973374 392670683 /nfs/dbraw/zinc/67/06/83/392670683.db2.gz LTSAMWDABRRALD-HNNXBMFYSA-N 1 0 298.434 3.354 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H]1CCCOC1)c1ccc(N(C)C)cc1 ZINC000178427473 392678721 /nfs/dbraw/zinc/67/87/21/392678721.db2.gz MAKHHEJGBLBUPY-RHSMWYFYSA-N 1 0 276.424 3.220 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)c1ccc(N(C)C)cc1 ZINC000374469359 392679803 /nfs/dbraw/zinc/67/98/03/392679803.db2.gz QBLAWPILYOAXHH-WBVHZDCISA-N 1 0 298.434 3.074 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](CC)C(C)(C)O)c1ccc(N(C)C)cc1 ZINC000294944124 286922744 /nfs/dbraw/zinc/92/27/44/286922744.db2.gz IDMOZIKMOCBXEA-CVEARBPZSA-N 1 0 278.440 3.343 20 10 CGCDRO Oc1ccccc1C[NH2+]CCc1ccc(Cl)cc1 ZINC000020122549 171002872 /nfs/dbraw/zinc/00/28/72/171002872.db2.gz KZUISUULQRTKJA-UHFFFAOYSA-N 1 0 261.752 3.378 20 10 CGCDRO CC[C@@H]([NH2+]C1CC1)c1cc(Br)ccc1O ZINC000022210893 171373667 /nfs/dbraw/zinc/37/36/67/171373667.db2.gz DMAAZUBPAKVORO-LLVKDONJSA-N 1 0 270.170 3.358 20 10 CGCDRO CC[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000035718045 172371910 /nfs/dbraw/zinc/37/19/10/172371910.db2.gz WEOCLOSMKVKGBH-UHFFFAOYSA-N 1 0 260.406 3.494 20 10 CGCDRO CCCOc1ccc(C[N@@H+]2CCC[C@@H](COC)C2)c(O)c1 ZINC000093337932 260275126 /nfs/dbraw/zinc/27/51/26/260275126.db2.gz FTXWEIMZILYLOZ-CQSZACIVSA-N 1 0 293.407 3.039 20 10 CGCDRO COc1ccc(C[C@H](C)[NH2+]Cc2ccccc2O)cc1 ZINC000130424955 260395659 /nfs/dbraw/zinc/39/56/59/260395659.db2.gz YUHFVKWPQHZTKS-ZDUSSCGKSA-N 1 0 271.360 3.122 20 10 CGCDRO C[C@@H]([NH2+]CCn1ccnc1)c1ccc(N2CCCCC2)cc1 ZINC000155732179 261106541 /nfs/dbraw/zinc/10/65/41/261106541.db2.gz BJEMFRQHKQVTRB-MRXNPFEDSA-N 1 0 298.434 3.224 20 10 CGCDRO CC[C@H]([NH2+]C[C@]1(C)CCCC[C@@H]1O)c1ccccc1O ZINC000156213755 261116650 /nfs/dbraw/zinc/11/66/50/261116650.db2.gz SODWGDUFNIXXMF-XIRDDKMYSA-N 1 0 277.408 3.374 20 10 CGCDRO CC[C@H]([NH2+][C@H]1c2ccccc2C[C@@H]1O)c1ccccc1O ZINC000156300416 261118997 /nfs/dbraw/zinc/11/89/97/261118997.db2.gz HPSWWFAKVXVDPH-SZMVWBNQSA-N 1 0 283.371 3.091 20 10 CGCDRO CC[C@@H]([NH2+]CCc1ccncc1C)c1ccccc1O ZINC000156926193 261135665 /nfs/dbraw/zinc/13/56/65/261135665.db2.gz VGZNJRKECDQDIY-MRXNPFEDSA-N 1 0 270.376 3.379 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H](C)C[C@@H](C)O)cc1 ZINC000157620278 261149148 /nfs/dbraw/zinc/14/91/48/261149148.db2.gz XBPYFASEFQUELM-RRFJBIMHSA-N 1 0 278.440 3.200 20 10 CGCDRO COc1ccc(O)c(C[N@H+](C)Cc2ccccc2F)c1 ZINC000179565976 261797250 /nfs/dbraw/zinc/79/72/50/261797250.db2.gz JHINEWBVLMUJNM-UHFFFAOYSA-N 1 0 275.323 3.172 20 10 CGCDRO CC[N@H+](Cc1cc(Cl)cc(OC)c1O)C1CC1 ZINC000184679162 262025992 /nfs/dbraw/zinc/02/59/92/262025992.db2.gz XRTCEZAJANAURC-UHFFFAOYSA-N 1 0 255.745 3.039 20 10 CGCDRO CCOCCC[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000184830618 262030760 /nfs/dbraw/zinc/03/07/60/262030760.db2.gz BFTUNFJBPGBXBF-JTQLQIEISA-N 1 0 257.761 3.123 20 10 CGCDRO Cc1ccc([C@@H](O)C[NH2+][C@@H](C)c2cc(F)ccc2O)cc1 ZINC000185099397 262040875 /nfs/dbraw/zinc/04/08/75/262040875.db2.gz AJMBMOSJJCBENZ-SJCJKPOMSA-N 1 0 289.350 3.224 20 10 CGCDRO C[C@H]([NH2+]C[C@@H](O)c1ccccc1F)c1cc(F)ccc1O ZINC000185096303 262041240 /nfs/dbraw/zinc/04/12/40/262041240.db2.gz PTMVGFGEKDNDBG-MGPLVRAMSA-N 1 0 293.313 3.055 20 10 CGCDRO COc1cccc(C[NH2+][C@H]2CCCO[C@@H]2CC(C)C)c1O ZINC000185191785 262045450 /nfs/dbraw/zinc/04/54/50/262045450.db2.gz CHSVTIFKIMKNTA-GOEBONIOSA-N 1 0 293.407 3.084 20 10 CGCDRO COCC[C@@H](C)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000185290600 262049226 /nfs/dbraw/zinc/04/92/26/262049226.db2.gz DZCINCGWXJMNQY-OLZOCXBDSA-N 1 0 277.408 3.347 20 10 CGCDRO COCC[C@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000185290287 262049291 /nfs/dbraw/zinc/04/92/91/262049291.db2.gz SJTYNCHNNDGDMT-UWVGGRQHSA-N 1 0 257.761 3.121 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2[C@@H]3CCO[C@@H]3C2(C)C)c1 ZINC000185534378 262058620 /nfs/dbraw/zinc/05/86/20/262058620.db2.gz SMRXICIKOSKXSY-APYUEPQZSA-N 1 0 275.392 3.165 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)CCCO)c1cc2c(cc1O)CCCC2 ZINC000185689461 262066436 /nfs/dbraw/zinc/06/64/36/262066436.db2.gz MDYZHJHRKRVXCU-QWHCGFSZSA-N 1 0 277.408 3.083 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2cccc(N(C)C)n2)c1 ZINC000186179204 262083760 /nfs/dbraw/zinc/08/37/60/262083760.db2.gz PXGYTRLBNLMIJX-ZDUSSCGKSA-N 1 0 285.391 3.012 20 10 CGCDRO C[C@H]([NH2+][C@@H](C)[C@@H](O)c1cccc(F)c1)c1ccccc1O ZINC000272903409 263009867 /nfs/dbraw/zinc/00/98/67/263009867.db2.gz VIWCYCFGXSMNCL-NVGCLXPQSA-N 1 0 289.350 3.304 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CC[C@@H]2CCO[C@@H](C)C2)cc1C ZINC000273042675 263011445 /nfs/dbraw/zinc/01/14/45/263011445.db2.gz IWEIQZXWEIHLFV-LSDHHAIUSA-N 1 0 277.408 3.304 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](O)c2ccccc2)c(O)c1 ZINC000293789916 264995518 /nfs/dbraw/zinc/99/55/18/264995518.db2.gz QNEZXHNPDDJNPF-WMLDXEAASA-N 1 0 285.387 3.393 20 10 CGCDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1c(O)cccc1Cl ZINC000368043416 267141372 /nfs/dbraw/zinc/14/13/72/267141372.db2.gz PMAFSOSEYZTCNX-CHWSQXEVSA-N 1 0 294.826 3.104 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCc2cn3c(n2)CCCC3)c(O)c1 ZINC000368477217 267176723 /nfs/dbraw/zinc/17/67/23/267176723.db2.gz DQQNLJHNCXXBDP-AWEZNQCLSA-N 1 0 299.418 3.127 20 10 CGCDRO COc1ccc(N2CCC([NH2+]C[C@@H](C)SC)CC2)cc1 ZINC000368584480 267188747 /nfs/dbraw/zinc/18/87/47/267188747.db2.gz UCYZDVVGGBPQGD-CYBMUJFWSA-N 1 0 294.464 3.005 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH+]1CCC(OCC2CC2)CC1 ZINC000371337194 267393224 /nfs/dbraw/zinc/39/32/24/267393224.db2.gz SYCZINFICFSNOY-UHFFFAOYSA-N 1 0 295.810 3.437 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000291504590 275061630 /nfs/dbraw/zinc/06/16/30/275061630.db2.gz HQZVCTKSJLKSOQ-KRWDZBQOSA-N 1 0 294.398 3.029 20 10 CGCDRO CCOC[C@@H]([NH2+][C@@H]1CCc2cccc(O)c21)C(C)C ZINC000296360702 276329787 /nfs/dbraw/zinc/32/97/87/276329787.db2.gz HZPJGJVLLFXAJM-ZIAGYGMSSA-N 1 0 263.381 3.030 20 10 CGCDRO COCCC(C)(C)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296594408 277202488 /nfs/dbraw/zinc/20/24/88/277202488.db2.gz XCRMSIFRPYMYHL-CYBMUJFWSA-N 1 0 263.381 3.032 20 10 CGCDRO CC[C@H]([NH2+]CC1([C@@H](O)C(C)C)CC1)c1ccccc1O ZINC000274734159 288038061 /nfs/dbraw/zinc/03/80/61/288038061.db2.gz CPSFHSXZNIEOQB-HOCLYGCPSA-N 1 0 277.408 3.230 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H]2c3ccccc3O[C@@H]2C)c1O ZINC000290275077 281218446 /nfs/dbraw/zinc/21/84/46/281218446.db2.gz YIUYYIFMVBOAFJ-WBMJQRKESA-N 1 0 269.344 3.312 20 10 CGCDRO C[C@H]([NH2+][C@H]1c2ccccc2C[C@H]1O)c1ccc(N(C)C)cc1 ZINC000268902281 290062725 /nfs/dbraw/zinc/06/27/25/290062725.db2.gz BMCHVTFAQBPGQF-BKTGTZMESA-N 1 0 296.414 3.062 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000268983044 328188023 /nfs/dbraw/zinc/18/80/23/328188023.db2.gz RUJAEULKIRLANF-LLVKDONJSA-N 1 0 281.783 3.237 20 10 CGCDRO Cc1cccc(C[NH2+]C2(c3ccccc3)CC2)c1O ZINC000271859700 328198471 /nfs/dbraw/zinc/19/84/71/328198471.db2.gz JXSOUMRYUUJPJB-UHFFFAOYSA-N 1 0 253.345 3.480 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCc2csc(C)n2)c1 ZINC000223739382 327149047 /nfs/dbraw/zinc/14/90/47/327149047.db2.gz MVOJIDXDDJRTPO-SNVBAGLBSA-N 1 0 292.404 3.059 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCCC[C@@H]1O)c1ccc2ccccc2c1O ZINC000051991394 327547991 /nfs/dbraw/zinc/54/79/91/327547991.db2.gz DXUPSTFYOZFZQZ-ZLIFDBKOSA-N 1 0 285.387 3.500 20 10 CGCDRO Cc1n[nH]cc1C1CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC000375271897 329002361 /nfs/dbraw/zinc/00/23/61/329002361.db2.gz HXKVTTOSQKGSFN-UHFFFAOYSA-N 1 0 285.391 3.112 20 10 CGCDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1cc(Cl)ccc1O ZINC000377703265 329026035 /nfs/dbraw/zinc/02/60/35/329026035.db2.gz WJCUBNJBVBFIKP-SWLSCSKDSA-N 1 0 294.826 3.104 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000188249694 329367011 /nfs/dbraw/zinc/36/70/11/329367011.db2.gz MHDVGXDIBMXGTO-MRXNPFEDSA-N 1 0 295.810 3.437 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2C[C@]2(C)OC(C)C)cc1C ZINC000527797262 330284037 /nfs/dbraw/zinc/28/40/37/330284037.db2.gz CLUXUHIENJMBIV-CVEARBPZSA-N 1 0 263.381 3.049 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CC[C@H]2CCCOC2)c(O)c1 ZINC000527925129 330296482 /nfs/dbraw/zinc/29/64/82/330296482.db2.gz IAHAOISQVOSHCH-ZIAGYGMSSA-N 1 0 263.381 3.168 20 10 CGCDRO Oc1ccc(Br)cc1C[NH2+]CCC1CC1 ZINC000164898362 331305337 /nfs/dbraw/zinc/30/53/37/331305337.db2.gz QOHWMYHILJLAFI-UHFFFAOYSA-N 1 0 270.170 3.044 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H](c2ccccn2)C2CCC2)c1 ZINC000529643984 333503230 /nfs/dbraw/zinc/50/32/30/333503230.db2.gz NAEFFKDEJGZDPL-GOSISDBHSA-N 1 0 298.386 3.427 20 10 CGCDRO COc1cccc(C[NH2+]C(C)(C)c2ccccc2)c1O ZINC000263648954 334673389 /nfs/dbraw/zinc/67/33/89/334673389.db2.gz CPSXGLIFYIYZJQ-UHFFFAOYSA-N 1 0 271.360 3.426 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CCCc2c1cnn2C)c1ccc(N(C)C)cc1 ZINC000268851933 334717757 /nfs/dbraw/zinc/71/77/57/334717757.db2.gz WPYLIQNQANLMAY-DYVFJYSZSA-N 1 0 298.434 3.214 20 10 CGCDRO CC(C)OCCC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000037239621 519764430 /nfs/dbraw/zinc/76/44/30/519764430.db2.gz KIBHDMURRQAZIP-CQSZACIVSA-N 1 0 264.413 3.218 20 10 CGCDRO CC(C)N1CCC([NH2+][C@H](C)c2cc(F)ccc2O)CC1 ZINC000094616972 519672556 /nfs/dbraw/zinc/67/25/56/519672556.db2.gz RLJUYRBNAOXTGJ-GFCCVEGCSA-N 1 0 280.387 3.055 20 10 CGCDRO CC(C)C[C@@H](CCO)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297576410 519775247 /nfs/dbraw/zinc/77/52/47/519775247.db2.gz GYLDFRXVUOGFHK-HIFRSBDPSA-N 1 0 277.408 3.014 20 10 CGCDRO CCC1(CO)CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000129821330 519844342 /nfs/dbraw/zinc/84/43/42/519844342.db2.gz LPHKVNJGHUKFDU-UHFFFAOYSA-N 1 0 283.799 3.030 20 10 CGCDRO CCOCc1cc(C[NH2+]Cc2occc2C)ccc1OC ZINC000291700023 520186226 /nfs/dbraw/zinc/18/62/26/520186226.db2.gz KATXTFMIVFRHMM-UHFFFAOYSA-N 1 0 289.375 3.423 20 10 CGCDRO CCCCN(C)C[C@@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000289995360 520413367 /nfs/dbraw/zinc/41/33/67/520413367.db2.gz YRKBVLQKPZQIHI-KGLIPLIRSA-N 1 0 264.413 3.163 20 10 CGCDRO CC[N@H+](Cc1cc(-c2ccccc2)ccc1O)[C@H](C)CO ZINC000292807175 521283727 /nfs/dbraw/zinc/28/37/27/521283727.db2.gz OHEYGTGIXWPNAN-CQSZACIVSA-N 1 0 285.387 3.262 20 10 CGCDRO CCC[C@](C)(O)C[NH2+][C@@H](CC)c1ccc(C)cc1O ZINC000280294050 521295862 /nfs/dbraw/zinc/29/58/62/521295862.db2.gz ZKWIDDHPBGIPFJ-HOCLYGCPSA-N 1 0 265.397 3.292 20 10 CGCDRO CC[N@H+](Cc1ccccc1O)[C@@H](C)c1cccnc1 ZINC000290661607 521386331 /nfs/dbraw/zinc/38/63/31/521386331.db2.gz ZSHGEIMQAYZIEX-ZDUSSCGKSA-N 1 0 256.349 3.370 20 10 CGCDRO C[NH+](C)CCc1ccccc1NCc1ccccc1O ZINC000275610781 521817621 /nfs/dbraw/zinc/81/76/21/521817621.db2.gz MRTQCQCXPBETHS-UHFFFAOYSA-N 1 0 270.376 3.108 20 10 CGCDRO CN(C)[C@@H](C[NH2+]Cc1c(O)cccc1Cl)c1ccco1 ZINC000083551360 522031141 /nfs/dbraw/zinc/03/11/41/522031141.db2.gz HCVCDHOZAADYDD-ZDUSSCGKSA-N 1 0 294.782 3.031 20 10 CGCDRO CN(C)c1ccc(C[NH2+]Cc2cc(F)ccc2F)cc1 ZINC000037233254 522210005 /nfs/dbraw/zinc/21/00/05/522210005.db2.gz DLSBWTDUARQEEQ-UHFFFAOYSA-N 1 0 276.330 3.321 20 10 CGCDRO CC[C@H]([NH2+]CCCOCC1CC1)c1ccccc1O ZINC000020190833 522583812 /nfs/dbraw/zinc/58/38/12/522583812.db2.gz FIWVUUXHMMQOBD-HNNXBMFYSA-N 1 0 263.381 3.250 20 10 CGCDRO CC[C@H]([NH2+]CC[C@H](C)OC)c1ccc(C)cc1O ZINC000280214660 522599497 /nfs/dbraw/zinc/59/94/97/522599497.db2.gz UJPOZYBFIXFFBT-JSGCOSHPSA-N 1 0 251.370 3.166 20 10 CGCDRO CC[C@H]([NH2+]CCc1nccs1)c1ccc(N(C)C)cc1 ZINC000127915508 522603286 /nfs/dbraw/zinc/60/32/86/522603286.db2.gz ANGORJZRMLJDMQ-HNNXBMFYSA-N 1 0 289.448 3.493 20 10 CGCDRO COC1CCC([N@H+](C)Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000293065537 522687090 /nfs/dbraw/zinc/68/70/90/522687090.db2.gz LJLCBEUWNRECCO-UHFFFAOYSA-N 1 0 290.451 3.450 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCSC1)c1ccc(C)cc1O ZINC000279988808 522722572 /nfs/dbraw/zinc/72/25/72/522722572.db2.gz FFEKBPMTFZNTSW-YPMHNXCESA-N 1 0 251.395 3.247 20 10 CGCDRO COCC(C)(C)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000293747731 522812680 /nfs/dbraw/zinc/81/26/80/522812680.db2.gz RBWIWOZGCBURCK-CYBMUJFWSA-N 1 0 264.413 3.076 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](C)Cc1cc(C)n[nH]1)c1ccc(C)cc1O ZINC000280026490 522908675 /nfs/dbraw/zinc/90/86/75/522908675.db2.gz HSRKRSAUEHVYMP-BLLLJJGKSA-N 1 0 287.407 3.404 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1CCCOCC1)c1ccc(C)cc1O ZINC000280239255 522924051 /nfs/dbraw/zinc/92/40/51/522924051.db2.gz VXUOQPJYQUBASV-UKRRQHHQSA-N 1 0 263.381 3.310 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1CCN(c2ccccn2)C1)c1ccccc1O ZINC000156901566 522928258 /nfs/dbraw/zinc/92/82/58/522928258.db2.gz SKFZTVTVHAWATL-GDBMZVCRSA-N 1 0 297.402 3.107 20 10 CGCDRO CC[C@@H]([NH2+][C@H](CO)Cc1ccccc1)c1ccccc1O ZINC000063218194 522944306 /nfs/dbraw/zinc/94/43/06/522944306.db2.gz USERLRLQKMLPBQ-DOTOQJQBSA-N 1 0 285.387 3.037 20 10 CGCDRO COCCCC[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000265411354 523141807 /nfs/dbraw/zinc/14/18/07/523141807.db2.gz UMCBGZMSFWEOBV-UHFFFAOYSA-N 1 0 278.440 3.390 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CC(C)(C)C[C@H](C)O)c(O)c1 ZINC000285451628 524330103 /nfs/dbraw/zinc/33/01/03/524330103.db2.gz ZNBSXFOSUTUKLG-UONOGXRCSA-N 1 0 279.424 3.457 20 10 CGCDRO Cc1cccc(C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1O ZINC000290947594 524385857 /nfs/dbraw/zinc/38/58/57/524385857.db2.gz QJAOXEGVLKMTRQ-DOTOQJQBSA-N 1 0 287.403 3.234 20 10 CGCDRO Cc1cccc(C[NH2+]C[C@@H]2CCC(F)(F)C2)c1O ZINC000281089699 524433801 /nfs/dbraw/zinc/43/38/01/524433801.db2.gz KATGVONKBGSAMR-LLVKDONJSA-N 1 0 255.308 3.226 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C(C)(C)c2c(C)noc2C)c1 ZINC000289777425 524750910 /nfs/dbraw/zinc/75/09/10/524750910.db2.gz KXZRUFOXCHWRRT-UHFFFAOYSA-N 1 0 290.363 3.031 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+]C2(CCO)CCCC2)c1O ZINC000289537202 524868085 /nfs/dbraw/zinc/86/80/85/524868085.db2.gz QFKXCFQWRQAADP-UHFFFAOYSA-N 1 0 283.799 3.139 20 10 CGCDRO Cc1cc(Cl)nc(C[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000282107345 524918685 /nfs/dbraw/zinc/91/86/85/524918685.db2.gz TURNYORTQXUQDJ-UHFFFAOYSA-N 1 0 288.778 3.268 20 10 CGCDRO Cc1ccccc1[C@@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000042879441 525358961 /nfs/dbraw/zinc/35/89/61/525358961.db2.gz SWOKIWAZIGXGQG-GFCCVEGCSA-N 1 0 285.343 3.280 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1COc2ccccc21)c1ccccc1O ZINC000290261356 525396934 /nfs/dbraw/zinc/39/69/34/525396934.db2.gz KSMCTCXXXOPXBA-QWHCGFSZSA-N 1 0 269.344 3.219 20 10 CGCDRO C[C@@H]([NH2+]C1CCN(C)CC1)c1ccc2ccccc2c1O ZINC000037267150 525402563 /nfs/dbraw/zinc/40/25/63/525402563.db2.gz RLAWYDFZFGIHRH-CYBMUJFWSA-N 1 0 284.403 3.290 20 10 CGCDRO Cc1ccccc1[C@H](O)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297721923 525432228 /nfs/dbraw/zinc/43/22/28/525432228.db2.gz NELZDYIUOHFPAL-NVXWUHKLSA-N 1 0 283.371 3.011 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1CCSC1)c1cc(Cl)ccc1O ZINC000280191687 525486780 /nfs/dbraw/zinc/48/67/80/525486780.db2.gz UVMZRKFGJNJJRH-ZJUUUORDSA-N 1 0 271.813 3.449 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCOC[C@@H]1C)c1cc(Cl)ccc1O ZINC000278540517 525622775 /nfs/dbraw/zinc/62/27/75/525622775.db2.gz NYRITYCUWJLXJG-KWBADKCTSA-N 1 0 269.772 3.121 20 10 CGCDRO COc1cccc(C[NH2+]Cc2cc(C)ccc2C)c1O ZINC000289421934 526023547 /nfs/dbraw/zinc/02/35/47/526023547.db2.gz JFDCMPQKHMFAHY-UHFFFAOYSA-N 1 0 271.360 3.307 20 10 CGCDRO c1cc(C[NH2+][C@@H]2CCCC23CCOCC3)cc2c1OCC2 ZINC000282654867 526429198 /nfs/dbraw/zinc/42/91/98/526429198.db2.gz LKDUPWFNZBWHDB-QGZVFWFLSA-N 1 0 287.403 3.060 20 10 CGCDRO COc1ccc(C[NH2+]C[C@@H](C)c2ccncc2)cc1C ZINC000749297064 571700036 /nfs/dbraw/zinc/70/00/36/571700036.db2.gz PPERJCUTGMLFDY-CQSZACIVSA-N 1 0 270.376 3.292 20 10 CGCDRO CCOCCC[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000741804966 572531572 /nfs/dbraw/zinc/53/15/72/572531572.db2.gz KFMKQAPFMTXRRN-UHFFFAOYSA-N 1 0 278.440 3.390 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(Cl)nc2)c1 ZINC000733324763 572555684 /nfs/dbraw/zinc/55/56/84/572555684.db2.gz BARCENUKLUHOMM-UHFFFAOYSA-N 1 0 262.740 3.039 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CC2(C)C)cc1F ZINC000733326484 572556254 /nfs/dbraw/zinc/55/62/54/572556254.db2.gz GNIJGQDCOOFEPG-LBPRGKRZSA-N 1 0 250.361 3.027 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)CC2(C)COC2)cc1 ZINC000743839680 572687034 /nfs/dbraw/zinc/68/70/34/572687034.db2.gz RPPMHLPMTFMVHA-UHFFFAOYSA-N 1 0 276.424 3.001 20 10 CGCDRO CCC[C@@H](C(=O)OCC)[N@H+](CCC)Cc1ccccc1O ZINC000743870687 572694633 /nfs/dbraw/zinc/69/46/33/572694633.db2.gz ZUDZOBBHNHQWCB-HNNXBMFYSA-N 1 0 293.407 3.336 20 10 CGCDRO Cc1cc(CC[NH2+][C@@H]2CCO[C@H]2C)c(C)n1-c1ccccc1 ZINC000747859629 572951576 /nfs/dbraw/zinc/95/15/76/572951576.db2.gz OMRKQARSCVEQOK-QFBILLFUSA-N 1 0 298.430 3.404 20 10 CGCDRO C[C@@H]1CC[C@H](C)[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000749925561 573061002 /nfs/dbraw/zinc/06/10/02/573061002.db2.gz YDBHPIOCFDHNQM-HWWDLCQESA-N 1 0 288.435 3.047 20 10 CGCDRO COc1ccc2ccc(O)c(C[NH+]3CCSCC3)c2c1 ZINC000048621431 618052246 /nfs/dbraw/zinc/05/22/46/618052246.db2.gz RNAQFCBVKXUPHK-UHFFFAOYSA-N 1 0 289.400 3.103 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]CCC(F)(F)F ZINC000090740061 618158145 /nfs/dbraw/zinc/15/81/45/618158145.db2.gz WCSGJHJWAFAABV-UHFFFAOYSA-N 1 0 253.651 3.088 20 10 CGCDRO CO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000049949078 618644930 /nfs/dbraw/zinc/64/49/30/618644930.db2.gz HVGMBMGEWPJFEB-QZTJIDSGSA-N 1 0 288.435 3.334 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(NC(N)=O)cc2)c1 ZINC000184971317 625284707 /nfs/dbraw/zinc/28/47/07/625284707.db2.gz VUHWLQOQPRVCKG-LBPRGKRZSA-N 1 0 299.374 3.042 20 10 CGCDRO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1cc(C)cc(OC)c1O ZINC000184984857 625286868 /nfs/dbraw/zinc/28/68/68/625286868.db2.gz AJPGVFLRTNNSHX-JSGCOSHPSA-N 1 0 263.381 3.330 20 10 CGCDRO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](C)[C@@H](C)C2)c1O ZINC000161842225 618722785 /nfs/dbraw/zinc/72/27/85/618722785.db2.gz VMMWPODUQLXCPK-MNOVXSKESA-N 1 0 279.355 3.212 20 10 CGCDRO CC(C)OCCCC[NH2+]Cc1cc(Cl)ccc1O ZINC000228564283 618734034 /nfs/dbraw/zinc/73/40/34/618734034.db2.gz WXACJEHLQGOZDD-UHFFFAOYSA-N 1 0 271.788 3.340 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCS[C@@H]2C)c1 ZINC000310223624 618782868 /nfs/dbraw/zinc/78/28/68/618782868.db2.gz FTTZLEGWQASBMW-DMDPSCGWSA-N 1 0 251.395 3.245 20 10 CGCDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2ccccc2O)C1(C)C ZINC000179560816 618794860 /nfs/dbraw/zinc/79/48/60/618794860.db2.gz KECXUVKSZMOZSY-GJZGRUSLSA-N 1 0 263.381 3.028 20 10 CGCDRO CC[C@@H]([NH2+]C[C@]1(C)CCCO1)c1ccc(N(C)C)cc1 ZINC000167059312 618798947 /nfs/dbraw/zinc/79/89/47/618798947.db2.gz JHQYMKJILPFSNM-SJORKVTESA-N 1 0 276.424 3.362 20 10 CGCDRO CO[C@H]1CC[N@H+](Cc2cc(Cl)ccc2O)[C@@H](C)C1 ZINC000310601833 618813448 /nfs/dbraw/zinc/81/34/48/618813448.db2.gz BPYCOEZNGJWADE-GWCFXTLKSA-N 1 0 269.772 3.045 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cccc2c1OCO2 ZINC000924575546 618859978 /nfs/dbraw/zinc/85/99/78/618859978.db2.gz XGNMNVYKYIGQSD-ZDUSSCGKSA-N 1 0 298.386 3.332 20 10 CGCDRO COC1([C@H](C)[NH2+][C@H](C)c2ccc(C)cc2O)CCC1 ZINC000840883525 618868656 /nfs/dbraw/zinc/86/86/56/618868656.db2.gz DUVPOBDCKPNQME-OLZOCXBDSA-N 1 0 263.381 3.309 20 10 CGCDRO CCC[N@H+](CCc1c(C)noc1C)Cc1ccccc1O ZINC000166204466 618902818 /nfs/dbraw/zinc/90/28/18/618902818.db2.gz NVOCMLZLFGOPCV-UHFFFAOYSA-N 1 0 288.391 3.452 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](C1CC1)N(C)C)c1ccc(N(C)C)cc1 ZINC000166264730 618903513 /nfs/dbraw/zinc/90/35/13/618903513.db2.gz CRVFCFVHMTYBDZ-ROUUACIJSA-N 1 0 289.467 3.134 20 10 CGCDRO c1cc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cc2c1OCC2 ZINC000168981892 618914570 /nfs/dbraw/zinc/91/45/70/618914570.db2.gz KTWTUPCJBHRWMA-SZMVWBNQSA-N 1 0 299.414 3.059 20 10 CGCDRO CCC(CC)(C[NH2+]Cc1ccc(OC)c(C)c1)OC ZINC000311943848 618956065 /nfs/dbraw/zinc/95/60/65/618956065.db2.gz KAXDLDYUSSUIIE-UHFFFAOYSA-N 1 0 265.397 3.298 20 10 CGCDRO CC[C@H]1CCC[C@@H]([NH2+]Cc2ccc(OC)c(OC)c2O)C1 ZINC000893014285 618977364 /nfs/dbraw/zinc/97/73/64/618977364.db2.gz QICTXVKUARYUMA-GXTWGEPZSA-N 1 0 293.407 3.468 20 10 CGCDRO CC(C)[N@H+](CCc1nccs1)Cc1cc(F)ccc1O ZINC000180221685 619014016 /nfs/dbraw/zinc/01/40/16/619014016.db2.gz FIVXQDQFBJKZCC-UHFFFAOYSA-N 1 0 294.395 3.441 20 10 CGCDRO Cc1nc(C)c(C[NH2+][C@H]2CCc3cccc(O)c32)s1 ZINC000312083089 619024333 /nfs/dbraw/zinc/02/43/33/619024333.db2.gz MOBVAOVFVLKNCI-LBPRGKRZSA-N 1 0 274.389 3.243 20 10 CGCDRO CC(C)c1noc(CCC[NH2+][C@H](C)c2ccccc2O)n1 ZINC000183485740 619044546 /nfs/dbraw/zinc/04/45/46/619044546.db2.gz WFBBWEPEDUXHFZ-GFCCVEGCSA-N 1 0 289.379 3.182 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)C2CCCCC2)c(O)c1 ZINC000185328196 619060340 /nfs/dbraw/zinc/06/03/40/619060340.db2.gz DMYJOYDUGCQWCN-GUYCJALGSA-N 1 0 277.408 3.292 20 10 CGCDRO CC(C)[C@@](C)(O)C[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000185434330 619060788 /nfs/dbraw/zinc/06/07/88/619060788.db2.gz LQRSGODKADNQGU-ACJLOTCBSA-N 1 0 291.435 3.329 20 10 CGCDRO CC[N@H+](Cc1ccoc1)Cc1cc(OC)ccc1O ZINC000775674622 619091125 /nfs/dbraw/zinc/09/11/25/619091125.db2.gz GPCUTFRZGASADW-UHFFFAOYSA-N 1 0 261.321 3.016 20 10 CGCDRO CC(C)(C)[C@H](Cn1ccnc1)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000319207731 619101329 /nfs/dbraw/zinc/10/13/29/619101329.db2.gz FZHOZYXARZEUHQ-HOCLYGCPSA-N 1 0 299.418 3.281 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](CO)Cc2ccccc2C)c1 ZINC000191566890 619111052 /nfs/dbraw/zinc/11/10/52/619111052.db2.gz DZGNGOCGFFKIOO-DOTOQJQBSA-N 1 0 299.414 3.263 20 10 CGCDRO CC1(C)C([NH2+]Cc2ccc(N3CCOCC3)cc2)C1(C)C ZINC000092816031 619129128 /nfs/dbraw/zinc/12/91/28/619129128.db2.gz NAWRWINXYWHUDQ-UHFFFAOYSA-N 1 0 288.435 3.047 20 10 CGCDRO Oc1ccc(Br)cc1C[NH+]1CC(CC2CC2)C1 ZINC000857066018 619150766 /nfs/dbraw/zinc/15/07/66/619150766.db2.gz CVKAWPSLJPCKGF-UHFFFAOYSA-N 1 0 296.208 3.387 20 10 CGCDRO C[C@@H]([NH2+]CCc1ccnn1C)c1ccc2ccccc2c1O ZINC000184009287 619162585 /nfs/dbraw/zinc/16/25/85/619162585.db2.gz ZHNQECVRHRAMSR-CYBMUJFWSA-N 1 0 295.386 3.172 20 10 CGCDRO CCOC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000313480865 619175811 /nfs/dbraw/zinc/17/58/11/619175811.db2.gz GNFXQXBGFLPLQX-CYBMUJFWSA-N 1 0 283.799 3.437 20 10 CGCDRO COc1ccc(C[N@@H+]2CC[C@@H](C(C)(C)C)C2)c(O)c1OC ZINC000893531003 619206287 /nfs/dbraw/zinc/20/62/87/619206287.db2.gz GGGXVNSQKYSNBS-CYBMUJFWSA-N 1 0 293.407 3.277 20 10 CGCDRO CCC(CC)(CCO)C[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840935115 619226745 /nfs/dbraw/zinc/22/67/45/619226745.db2.gz FQQQJJJQWNUJOZ-UHFFFAOYSA-N 1 0 292.467 3.339 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2COc3ccccc3O2)c1 ZINC000314461331 619229640 /nfs/dbraw/zinc/22/96/40/619229640.db2.gz LAEBMLPMXYWJHF-UONOGXRCSA-N 1 0 299.370 3.191 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCO[C@@H](C3CC3)C2)c(Cl)c1 ZINC000840939990 619231527 /nfs/dbraw/zinc/23/15/27/619231527.db2.gz SVLHIUUMQQIYGR-BLLLJJGKSA-N 1 0 295.810 3.401 20 10 CGCDRO CCOc1cccc(C[NH2+]CCCCOC(C)C)c1O ZINC000228564154 619235262 /nfs/dbraw/zinc/23/52/62/619235262.db2.gz AZBHLUUNRDEXOU-UHFFFAOYSA-N 1 0 281.396 3.086 20 10 CGCDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1cccc(C)c1O ZINC000840955977 619264270 /nfs/dbraw/zinc/26/42/70/619264270.db2.gz FCVNEIVYNLGIPG-AEFFLSMTSA-N 1 0 283.371 3.103 20 10 CGCDRO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1ccc(OC)c(OC)c1O ZINC000893677099 619277515 /nfs/dbraw/zinc/27/75/15/619277515.db2.gz QBGHNVXQDYIDQP-AAEUAGOBSA-N 1 0 279.380 3.030 20 10 CGCDRO COc1ccc(CC[NH2+][C@@H](C)c2cc(F)ccc2O)cc1 ZINC000094616619 619285367 /nfs/dbraw/zinc/28/53/67/619285367.db2.gz UXCSZUHDWCYOPZ-LBPRGKRZSA-N 1 0 289.350 3.433 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@H](C)Cc2ccco2)c1O ZINC000894166113 619398456 /nfs/dbraw/zinc/39/84/56/619398456.db2.gz VDBFPLZPFLYBFI-GFCCVEGCSA-N 1 0 275.348 3.023 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]Cc2c(C)ccnc2N)cc1 ZINC000894195404 619409173 /nfs/dbraw/zinc/40/91/73/619409173.db2.gz ZHADBGMPKPEAGX-UHFFFAOYSA-N 1 0 298.434 3.108 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@@H](C)Cc2ccsc2)c1O ZINC000894198991 619410597 /nfs/dbraw/zinc/41/05/97/619410597.db2.gz ISEDLGLYVXHLAG-LBPRGKRZSA-N 1 0 291.416 3.492 20 10 CGCDRO COc1cc(C)cc(C[NH2+]Cc2ccc(F)c(F)c2)c1O ZINC000894202014 619411849 /nfs/dbraw/zinc/41/18/49/619411849.db2.gz BBRMOKFJPGMGCI-UHFFFAOYSA-N 1 0 293.313 3.277 20 10 CGCDRO COc1cc(C)cc(C[NH2+]C(C)(C)C(C)C)c1O ZINC000894228570 619432045 /nfs/dbraw/zinc/43/20/45/619432045.db2.gz GAJGOVBESAFMTB-UHFFFAOYSA-N 1 0 251.370 3.233 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@@H](C)CC(C)(C)OC)c1O ZINC000894298565 619473339 /nfs/dbraw/zinc/47/33/39/619473339.db2.gz KVAXGKMSPHELSI-LBPRGKRZSA-N 1 0 281.396 3.002 20 10 CGCDRO COc1cc(C)cc(C[NH2+]Cc2nc(C)c(C)s2)c1O ZINC000894298377 619473415 /nfs/dbraw/zinc/47/34/15/619473415.db2.gz JZYOAHVKNJSFDB-UHFFFAOYSA-N 1 0 292.404 3.072 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@H]2CC[C@H](SC)C2)c1O ZINC000894312985 619486734 /nfs/dbraw/zinc/48/67/34/619486734.db2.gz PMLXNUPDUXELOY-STQMWFEESA-N 1 0 281.421 3.083 20 10 CGCDRO COc1cc(C)cc(C[NH2+]CCc2sccc2C)c1O ZINC000894372750 619509096 /nfs/dbraw/zinc/50/90/96/619509096.db2.gz OHVDAPYXPCYDPX-UHFFFAOYSA-N 1 0 291.416 3.411 20 10 CGCDRO CCCSC[C@H](C)[NH2+]Cc1cccc(OC)c1O ZINC000894457454 619544120 /nfs/dbraw/zinc/54/41/20/619544120.db2.gz BCRQLAJSWKEVBQ-NSHDSACASA-N 1 0 269.410 3.022 20 10 CGCDRO COc1cc(C)cc(C[NH2+]CCCC2CCOCC2)c1O ZINC000894868870 619660496 /nfs/dbraw/zinc/66/04/96/619660496.db2.gz JSVOUDMVSJJJDO-UHFFFAOYSA-N 1 0 293.407 3.006 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@@H](C)[C@@](C)(OC)C2CC2)c1O ZINC000894993377 619692097 /nfs/dbraw/zinc/69/20/97/619692097.db2.gz QPNQYDQCDCCRLB-YVEFUNNKSA-N 1 0 293.407 3.002 20 10 CGCDRO CO[C@@]1(C)C[C@H]([NH2+]Cc2cc(C)c(C)cc2O)C1(C)C ZINC000237161268 619699432 /nfs/dbraw/zinc/69/94/32/619699432.db2.gz GYPZWDZZVCYCSH-RDJZCZTQSA-N 1 0 277.408 3.302 20 10 CGCDRO CCSCC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000310430319 619710573 /nfs/dbraw/zinc/71/05/73/619710573.db2.gz RLNFQYLFBKYJMY-GFCCVEGCSA-N 1 0 252.427 3.156 20 10 CGCDRO COC(=O)c1ccc(C[NH2+]Cc2cc(C)ccc2O)cc1C ZINC000895583237 619853643 /nfs/dbraw/zinc/85/36/43/619853643.db2.gz XEEIWOQNXLBZEB-UHFFFAOYSA-N 1 0 299.370 3.085 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H](c3nccs3)C2)c1 ZINC000895581598 619856447 /nfs/dbraw/zinc/85/64/47/619856447.db2.gz CDJHIXPGCPLIOG-LBPRGKRZSA-N 1 0 274.389 3.147 20 10 CGCDRO Oc1cccc(Cl)c1C[N@@H+]1CC[C@@H](c2nccs2)C1 ZINC000895581602 619856474 /nfs/dbraw/zinc/85/64/74/619856474.db2.gz CDQDQCLULGNUAX-SNVBAGLBSA-N 1 0 294.807 3.492 20 10 CGCDRO CCc1cccc(C[NH+]2CCC3(CCCCO3)CC2)c1O ZINC000895656536 619864289 /nfs/dbraw/zinc/86/42/89/619864289.db2.gz RMFRHKIOOVXXGE-UHFFFAOYSA-N 1 0 289.419 3.490 20 10 CGCDRO Oc1cccc(Cl)c1C[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000895847315 619895975 /nfs/dbraw/zinc/89/59/75/619895975.db2.gz UFZLXEKFMISPTB-IAQYHMDHSA-N 1 0 281.783 3.047 20 10 CGCDRO Oc1cccc(Cl)c1C[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000895847318 619896149 /nfs/dbraw/zinc/89/61/49/619896149.db2.gz UFZLXEKFMISPTB-XHDPSFHLSA-N 1 0 281.783 3.047 20 10 CGCDRO COc1cc(C)cc(C[NH2+]C2CCC=CCC2)c1O ZINC000895894564 619902566 /nfs/dbraw/zinc/90/25/66/619902566.db2.gz LJHHRQDHELNMJB-UHFFFAOYSA-N 1 0 261.365 3.298 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@]2(C)CCCCO2)c1O ZINC000896923318 620103508 /nfs/dbraw/zinc/10/35/08/620103508.db2.gz IRVRACLPGYKMBH-INIZCTEOSA-N 1 0 263.381 3.003 20 10 CGCDRO CCc1cccc(CN2CCn3nc(C4CC4)cc3C2)c1O ZINC000896937846 620106429 /nfs/dbraw/zinc/10/64/29/620106429.db2.gz CAPRSIHWIDKJBH-UHFFFAOYSA-N 1 0 297.402 3.044 20 10 CGCDRO CSCC1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000896940929 620108947 /nfs/dbraw/zinc/10/89/47/620108947.db2.gz NIDKUWYOFKBKQA-UHFFFAOYSA-N 1 0 269.385 3.106 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2C[C@@](C)(OC)C2(C)C)c1 ZINC000185618537 625397636 /nfs/dbraw/zinc/39/76/36/625397636.db2.gz QQJCUWYMDXOLFA-UXEPBGEESA-N 1 0 293.407 3.255 20 10 CGCDRO CCc1cccc(C[NH2+][C@H](c2cnn(C)c2)C(C)C)c1O ZINC000897080715 620135547 /nfs/dbraw/zinc/13/55/47/620135547.db2.gz ASKWRJXYHVYRKR-INIZCTEOSA-N 1 0 287.407 3.175 20 10 CGCDRO CCC(CC)(CCO)C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000185621381 625399691 /nfs/dbraw/zinc/39/96/91/625399691.db2.gz BGLQYNKUUMMMAI-LBPRGKRZSA-N 1 0 283.387 3.371 20 10 CGCDRO Cc1ccc(C[NH2+]C[C@]2(c3ccccc3)CCCO2)c(O)c1 ZINC000897233322 620166765 /nfs/dbraw/zinc/16/67/65/620166765.db2.gz MKKMBZQAVXIKHM-IBGZPJMESA-N 1 0 297.398 3.496 20 10 CGCDRO COc1ccc(C[NH2+]CC2(N(C)C)CCCCC2)cc1C ZINC000035052658 620265567 /nfs/dbraw/zinc/26/55/67/620265567.db2.gz QUVVIMFJANBAID-UHFFFAOYSA-N 1 0 290.451 3.358 20 10 CGCDRO CC(C)(C[NH2+]Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000897442798 620337189 /nfs/dbraw/zinc/33/71/89/620337189.db2.gz JHGTXBJAHXOWNP-UHFFFAOYSA-N 1 0 288.435 3.049 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1[O-] ZINC000841744136 620345847 /nfs/dbraw/zinc/34/58/47/620345847.db2.gz FIIYFVBTWHLNMT-YUTCNCBUSA-N 1 0 294.826 3.323 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H]2C[C@@H]3CCC[C@@H]23)c1O ZINC000897952296 620453952 /nfs/dbraw/zinc/45/39/52/620453952.db2.gz FQBPRFVGOOSFJC-IACUBPJLSA-N 1 0 261.365 3.069 20 10 CGCDRO COc1ccc(O)c(C[NH2+]CC[C@@H]2CCC(F)(F)C2)c1 ZINC000898016891 620466919 /nfs/dbraw/zinc/46/69/19/620466919.db2.gz DSKPZLVEERKUGJ-NSHDSACASA-N 1 0 285.334 3.316 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+]C[C@H](N)c2ccccc2)c1O ZINC000841038033 620478382 /nfs/dbraw/zinc/47/83/82/620478382.db2.gz SHYNAMWQOPHZHR-HNNXBMFYSA-N 1 0 290.794 3.144 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H](c2ccncc2)C2CC2)c1 ZINC000898324151 620506026 /nfs/dbraw/zinc/50/60/26/620506026.db2.gz CETQTCLRNVOMTL-KRWDZBQOSA-N 1 0 268.360 3.337 20 10 CGCDRO Nc1ccc(N[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000841040011 620517750 /nfs/dbraw/zinc/51/77/50/620517750.db2.gz GHYPBQRNEHFXQU-SJORKVTESA-N 1 0 267.376 3.174 20 10 CGCDRO Nc1ccc(N[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000841040005 620517823 /nfs/dbraw/zinc/51/78/23/620517823.db2.gz GHYPBQRNEHFXQU-DLBZAZTESA-N 1 0 267.376 3.174 20 10 CGCDRO CC[C@@](C)(C[NH2+][C@H](C)c1cc(C)ccc1O)OC ZINC000322962484 620526471 /nfs/dbraw/zinc/52/64/71/620526471.db2.gz UXQTZRLNXXUNKJ-DOMZBBRYSA-N 1 0 251.370 3.166 20 10 CGCDRO C[C@@H](C[NH2+]C[C@H](N)c1ccc(N(C)C)cc1)C(C)(C)C ZINC000841043420 620540367 /nfs/dbraw/zinc/54/03/67/620540367.db2.gz RWXLLXRBWKHKHK-BBRMVZONSA-N 1 0 277.456 3.024 20 10 CGCDRO C[C@H]([NH2+]C1([C@@H]2CCCCO2)CC1)c1cc(F)ccc1O ZINC000927158925 620611770 /nfs/dbraw/zinc/61/17/70/620611770.db2.gz DKKVQDLNHIVBDY-NHYWBVRUSA-N 1 0 279.355 3.284 20 10 CGCDRO C[C@H](C[C@H](O)c1ccco1)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000185837785 625463509 /nfs/dbraw/zinc/46/35/09/625463509.db2.gz PUTPYKVKUFBICM-ZETOZRRWSA-N 1 0 293.338 3.287 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1cc(Cl)ccc1O ZINC000903286645 621669569 /nfs/dbraw/zinc/66/95/69/621669569.db2.gz LTOWMKFGOYQJFG-GUHREWKASA-N 1 0 293.794 3.262 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H](CO)CCc2ccccc2)c(O)c1 ZINC000903289452 621672734 /nfs/dbraw/zinc/67/27/34/621672734.db2.gz JYVMQOHCRFILMO-RDJZCZTQSA-N 1 0 299.414 3.345 20 10 CGCDRO CC[C@H]([NH2+][C@H](CO)CCc1ccccc1)c1ccccc1O ZINC000903290536 621673807 /nfs/dbraw/zinc/67/38/07/621673807.db2.gz YCMBTUMTXDDOIB-WMZOPIPTSA-N 1 0 299.414 3.427 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](c2ncccn2)C2CC2)c1 ZINC000903327830 621701836 /nfs/dbraw/zinc/70/18/36/621701836.db2.gz ZPJFEKJSUZEUGR-WBMJQRKESA-N 1 0 283.375 3.293 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCOC23CCCC3)c(O)c1 ZINC000903383076 621724719 /nfs/dbraw/zinc/72/47/19/621724719.db2.gz LZDSKXYQOPSGIC-XJKSGUPXSA-N 1 0 275.392 3.453 20 10 CGCDRO C[C@H]([NH2+]CC[C@@H](O)C1CC1)c1cc2c(cc1O)CCCC2 ZINC000903405900 621729594 /nfs/dbraw/zinc/72/95/94/621729594.db2.gz FWUIJZLSLCNGTR-YVEFUNNKSA-N 1 0 289.419 3.083 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2c(F)cccc2F)c1 ZINC000083458545 625522861 /nfs/dbraw/zinc/52/28/61/625522861.db2.gz RLTRUXYZYMAEMY-UHFFFAOYSA-N 1 0 263.287 3.269 20 10 CGCDRO C[C@H]1CC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CCO1 ZINC000905743050 622104045 /nfs/dbraw/zinc/10/40/45/622104045.db2.gz YRVFLFYXZNMLQJ-LBPRGKRZSA-N 1 0 293.407 3.006 20 10 CGCDRO COc1cccc(C[N@@H+]2CCC[C@H]2C(C)(C)C)c1O ZINC000769312393 625564576 /nfs/dbraw/zinc/56/45/76/625564576.db2.gz LWQLOOWXTMDCGL-AWEZNQCLSA-N 1 0 263.381 3.411 20 10 CGCDRO CCCN(CC)CC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000156785047 622843974 /nfs/dbraw/zinc/84/39/74/622843974.db2.gz UWLXPBOCIKROOG-OAHLLOKOSA-N 1 0 277.456 3.135 20 10 CGCDRO CC[N@H+](Cc1ccn(C)c1)Cc1ccc(N(C)C)cc1 ZINC000156840593 622848796 /nfs/dbraw/zinc/84/87/96/622848796.db2.gz VNPXJHDMDJGWEG-UHFFFAOYSA-N 1 0 271.408 3.113 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H](C1CC1)N(C)C)c1ccc(N(C)C)cc1 ZINC000166264850 622879600 /nfs/dbraw/zinc/87/96/00/622879600.db2.gz CRVFCFVHMTYBDZ-MSOLQXFVSA-N 1 0 289.467 3.134 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](C)CN(CC)CC)c1ccccc1O ZINC000045690277 622886943 /nfs/dbraw/zinc/88/69/43/622886943.db2.gz PXQPMUDPHOGUCS-DZGCQCFKSA-N 1 0 264.413 3.163 20 10 CGCDRO C[C@H]1CCC[C@@](C[NH2+]Cc2cc(F)ccc2O)(N(C)C)C1 ZINC000226585987 622986165 /nfs/dbraw/zinc/98/61/65/622986165.db2.gz HDXUCGZDJZCTBM-SUMWQHHRSA-N 1 0 294.414 3.131 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CCCCS2)cc1 ZINC000158108799 623004691 /nfs/dbraw/zinc/00/46/91/623004691.db2.gz DDYIBADLOZALDM-OAHLLOKOSA-N 1 0 264.438 3.128 20 10 CGCDRO Cc1cccc(C[NH2+][C@H](C)c2ccc3c(c2)OCO3)c1O ZINC000158095215 623005561 /nfs/dbraw/zinc/00/55/61/623005561.db2.gz LBMPQJCGSZLHJD-GFCCVEGCSA-N 1 0 285.343 3.280 20 10 CGCDRO C[C@H]([NH2+]CC1(O)CCC1)c1ccc2ccccc2c1O ZINC000168763159 623013870 /nfs/dbraw/zinc/01/38/70/623013870.db2.gz YHCPKEZMOPOOST-LBPRGKRZSA-N 1 0 271.360 3.111 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]Cc2cccs2)c1O ZINC000228668684 623069732 /nfs/dbraw/zinc/06/97/32/623069732.db2.gz NYCBRARPMYSLMG-UHFFFAOYSA-N 1 0 283.780 3.406 20 10 CGCDRO COc1ccc(O)c(C[NH2+]Cc2ccc([C@H]3C[C@@H]3C)o2)c1 ZINC000172015638 623208270 /nfs/dbraw/zinc/20/82/70/623208270.db2.gz DLIUZFQMSDKVEX-NHYWBVRUSA-N 1 0 287.359 3.407 20 10 CGCDRO CS[C@H]1CC[C@H]([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000230698609 623263801 /nfs/dbraw/zinc/26/38/01/623263801.db2.gz FFLGAYRLQSBMQM-RYUDHWBXSA-N 1 0 271.813 3.419 20 10 CGCDRO C[C@@H](CCc1ccccc1)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000063255925 623310013 /nfs/dbraw/zinc/31/00/13/623310013.db2.gz FRRXYQQUXWSVLU-ZDUSSCGKSA-N 1 0 299.370 3.232 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCO[C@H]2c2ccccc2)cc1 ZINC000267075285 623321265 /nfs/dbraw/zinc/32/12/65/623321265.db2.gz RKFDUVDTNYIFCU-MOPGFXCFSA-N 1 0 296.414 3.372 20 10 CGCDRO CC(C)C[C@@H](C[NH2+]Cc1c(O)cccc1Cl)N(C)C ZINC000083551790 625647092 /nfs/dbraw/zinc/64/70/92/625647092.db2.gz CNIHYLSCXOYATN-LBPRGKRZSA-N 1 0 284.831 3.112 20 10 CGCDRO COCc1cccc(C[NH2+]Cc2ccc3c(c2)CCCO3)c1 ZINC000921543762 625658759 /nfs/dbraw/zinc/65/87/59/625658759.db2.gz RDTVDXOXYAAKKZ-UHFFFAOYSA-N 1 0 297.398 3.448 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)Cc2cnc3ccccn23)cc1 ZINC000152861707 623725660 /nfs/dbraw/zinc/72/56/60/623725660.db2.gz OVGRVRTVNLZNQX-UHFFFAOYSA-N 1 0 294.402 3.032 20 10 CGCDRO Cc1ccc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)cn1 ZINC000153681050 624021412 /nfs/dbraw/zinc/02/14/12/624021412.db2.gz MDLBBCNRUFJBMD-UHFFFAOYSA-N 1 0 269.392 3.088 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H]2C(C)(C)O)cc1 ZINC000154476600 624301509 /nfs/dbraw/zinc/30/15/09/624301509.db2.gz ATBLUOTXEJQBIS-KRWDZBQOSA-N 1 0 290.451 3.268 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1cccnc1 ZINC000921490768 624595798 /nfs/dbraw/zinc/59/57/98/624595798.db2.gz RCYYIABGVIULKQ-CYBMUJFWSA-N 1 0 268.360 3.257 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](Cc3ccccc3)C2)c1 ZINC000179705383 624678427 /nfs/dbraw/zinc/67/84/27/624678427.db2.gz QCHNKUPKTVABED-MRXNPFEDSA-N 1 0 297.398 3.465 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCS[C@H](C(C)C)C2)c1O ZINC000180668838 624766693 /nfs/dbraw/zinc/76/66/93/624766693.db2.gz OMAFBKRKPCRJEK-AWEZNQCLSA-N 1 0 265.422 3.274 20 10 CGCDRO C[C@H](CC1CC1)[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000070100576 624954472 /nfs/dbraw/zinc/95/44/72/624954472.db2.gz PVRRUGOUVNBNPJ-CYBMUJFWSA-N 1 0 258.409 3.347 20 10 CGCDRO COc1cccc(C[NH2+][C@@H]2CC[C@@H](C)C[C@H]2C)c1O ZINC000070110697 624957465 /nfs/dbraw/zinc/95/74/65/624957465.db2.gz CRDVBMHOJCRZKO-YRGRVCCFSA-N 1 0 263.381 3.315 20 10 CGCDRO CCc1cnc(C[NH2+][C@H](C)c2ccccc2O)s1 ZINC000183535877 625087891 /nfs/dbraw/zinc/08/78/91/625087891.db2.gz ILSJIVGNWVBRQB-SNVBAGLBSA-N 1 0 262.378 3.262 20 10 CGCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]C[C@H](C)O)cc1 ZINC000076276148 625209799 /nfs/dbraw/zinc/20/97/99/625209799.db2.gz FFILSBNFALYTRW-INIZCTEOSA-N 1 0 298.430 3.184 20 10 CGCDRO c1cc2c(cc1C[NH2+][C@@H]1CCC[C@@H]3OCC[C@H]31)CCCO2 ZINC000921841605 625899242 /nfs/dbraw/zinc/89/92/42/625899242.db2.gz HIMWGUIOHJNDHD-JZXOWHBKSA-N 1 0 287.403 3.059 20 10 CGCDRO c1cc2c(cc1C[NH2+][C@@H]1[C@H]3CCO[C@@H]3C13CCC3)CCCO2 ZINC000921934492 625934147 /nfs/dbraw/zinc/93/41/47/625934147.db2.gz GLBAUILJAUAXPX-NXHRZFHOSA-N 1 0 299.414 3.059 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)[C@H]1CCCO1 ZINC000921934066 625935317 /nfs/dbraw/zinc/93/53/17/625935317.db2.gz NYZCEFFJZOKFGB-NVXWUHKLSA-N 1 0 275.392 3.059 20 10 CGCDRO CCc1noc(C)c1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922146534 625972988 /nfs/dbraw/zinc/97/29/88/625972988.db2.gz SRPIJDRPWXWGAQ-UHFFFAOYSA-N 1 0 286.375 3.160 20 10 CGCDRO FC1(F)C[C@H]1CC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922273679 625992540 /nfs/dbraw/zinc/99/25/40/625992540.db2.gz ZPDVQKMIAKRWTB-CYBMUJFWSA-N 1 0 267.319 3.147 20 10 CGCDRO Oc1ccccc1C[N@H+](CC1=CCCOC1)C1CCCC1 ZINC000093319323 626016990 /nfs/dbraw/zinc/01/69/90/626016990.db2.gz AHGLMRWRVPXDRM-UHFFFAOYSA-N 1 0 287.403 3.484 20 10 CGCDRO COc1cccc(O)c1C[NH2+]Cc1ccc2c(c1)C[C@@H](C)O2 ZINC000922703457 626034376 /nfs/dbraw/zinc/03/43/76/626034376.db2.gz WVJPROUTRDFAOD-GFCCVEGCSA-N 1 0 299.370 3.014 20 10 CGCDRO C[C@@]1(C[NH2+]Cc2c(O)cccc2Cl)CCCCO1 ZINC000922820703 626051565 /nfs/dbraw/zinc/05/15/65/626051565.db2.gz RMDGXETVKQCBHB-AWEZNQCLSA-N 1 0 269.772 3.094 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H]2CCS[C@H](C)C2)c1 ZINC000922836816 626053897 /nfs/dbraw/zinc/05/38/97/626053897.db2.gz OFUSEHKRRWZOJR-YPMHNXCESA-N 1 0 251.395 3.074 20 10 CGCDRO CC[C@H](C)[C@@](C)(O)C[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000756576417 626103376 /nfs/dbraw/zinc/10/33/76/626103376.db2.gz NMCXEJJTEIYVAU-QEORTHHSSA-N 1 0 279.424 3.457 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CC[C@@H]2CCC3(CCC3)O2)cc1 ZINC000922969413 626112325 /nfs/dbraw/zinc/11/23/25/626112325.db2.gz VRNJPCBLXOXVPV-KRWDZBQOSA-N 1 0 288.435 3.334 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C2([C@@H]3CCCCO3)CC2)cc1C ZINC000923028721 626123733 /nfs/dbraw/zinc/12/37/33/626123733.db2.gz BMFQEOGPJDQPLE-INIZCTEOSA-N 1 0 275.392 3.200 20 10 CGCDRO COc1ccc(O)c(C[NH+]2CC(Cc3cccc(C)c3)C2)c1 ZINC000839130883 626321295 /nfs/dbraw/zinc/32/12/95/626321295.db2.gz CWPHKZRKSWTFST-UHFFFAOYSA-N 1 0 297.398 3.384 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)c1 ZINC000839190843 626327880 /nfs/dbraw/zinc/32/78/80/626327880.db2.gz DUDYYXWUVPTOHE-FUHWJXTLSA-N 1 0 289.419 3.074 20 10 CGCDRO CCOc1ccc(C[NH2+]Cc2ccc(C)c(C)n2)c(O)c1 ZINC000839163314 626330136 /nfs/dbraw/zinc/33/01/36/626330136.db2.gz HDJZUTUXOMMQIO-UHFFFAOYSA-N 1 0 286.375 3.093 20 10 CGCDRO CCN(C)c1ccc(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000839197267 626331502 /nfs/dbraw/zinc/33/15/02/626331502.db2.gz WZBSHKQLNPRINX-PVAVHDDUSA-N 1 0 258.409 3.421 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cccc(Cl)c1[O-] ZINC000806138896 626360698 /nfs/dbraw/zinc/36/06/98/626360698.db2.gz DLVQAEUKKQEJCB-WFASDCNBSA-N 1 0 296.842 3.428 20 10 CGCDRO C[C@H]([NH2+]Cc1ccccc1O)[C@H]1Oc2ccccc2[C@@H]1C ZINC000752264378 626423228 /nfs/dbraw/zinc/42/32/28/626423228.db2.gz CXNLHNMEINTBKP-LXIYXOSZSA-N 1 0 283.371 3.435 20 10 CGCDRO Cc1cccc(C[NH2+]CCc2ccc(F)c(F)c2F)c1O ZINC000753575143 626456243 /nfs/dbraw/zinc/45/62/43/626456243.db2.gz IKFCEJGNOLAKLQ-UHFFFAOYSA-N 1 0 295.304 3.450 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+][C@]2(C)CCO[C@H]2C2CC2)c1O ZINC000753596046 626457718 /nfs/dbraw/zinc/45/77/18/626457718.db2.gz SMLHAORGTOBFCR-JKSUJKDBSA-N 1 0 295.810 3.401 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@H]2C2CC2)c1O ZINC000754727481 626584857 /nfs/dbraw/zinc/58/48/57/626584857.db2.gz YKOBUMUGVPELPE-AWEZNQCLSA-N 1 0 261.365 3.084 20 10 CGCDRO COc1ccc(C[NH2+]CCc2cnc(C3CC3)nc2)cc1C ZINC000756033124 626671026 /nfs/dbraw/zinc/67/10/26/626671026.db2.gz JOXXCYWSHSBIHA-UHFFFAOYSA-N 1 0 297.402 3.003 20 10 CGCDRO C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1cc(F)cc(F)c1[O-] ZINC000756363250 626696827 /nfs/dbraw/zinc/69/68/27/626696827.db2.gz PRWIRWNBKKZYMS-GFCCVEGCSA-N 1 0 298.377 3.197 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCOCC(F)(F)F)c(O)c1C ZINC000756469269 626707430 /nfs/dbraw/zinc/70/74/30/626707430.db2.gz IAFBCPHDCBNQBK-NSHDSACASA-N 1 0 291.313 3.239 20 10 CGCDRO C[C@@H]([NH2+]CCn1cnc2ccccc21)c1cc(F)ccc1O ZINC000756483114 626708746 /nfs/dbraw/zinc/70/87/46/626708746.db2.gz NFKQNDKLEJAMGG-GFCCVEGCSA-N 1 0 299.349 3.232 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C2CCN(CC(F)F)CC2)c1 ZINC000756503531 626710685 /nfs/dbraw/zinc/71/06/85/626710685.db2.gz OHWBCSHKBJUJEO-LBPRGKRZSA-N 1 0 298.377 3.081 20 10 CGCDRO COCC[C@H](C)[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756525564 626711865 /nfs/dbraw/zinc/71/18/65/626711865.db2.gz IJOLYJWDFSVXJD-NHCYSSNCSA-N 1 0 267.344 3.094 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@@H](O)C2)c2c1c(F)ccc2O ZINC000756611567 626720342 /nfs/dbraw/zinc/72/03/42/626720342.db2.gz WNJLWYACMTZJIE-BYNQJWBRSA-N 1 0 293.382 3.220 20 10 CGCDRO C[C@H]1C[C@@H]([NH2+]CC(C)(C)CCO)c2c1c(F)ccc2O ZINC000756619895 626721119 /nfs/dbraw/zinc/72/11/19/626721119.db2.gz ZAXYZZQJHJGKMV-CMPLNLGQSA-N 1 0 281.371 3.078 20 10 CGCDRO C[C@H]1C[C@H]([NH2+]C2CCC(C)(O)CC2)c2c1c(F)ccc2O ZINC000756637141 626723087 /nfs/dbraw/zinc/72/30/87/626723087.db2.gz ZRUXUDLBPBFEBI-JXBBEZQWSA-N 1 0 293.382 3.363 20 10 CGCDRO COC1CCC(C[NH2+][C@@H](C)c2cc(F)ccc2O)CC1 ZINC000756641854 626723462 /nfs/dbraw/zinc/72/34/62/626723462.db2.gz JCKBYXJVCRYXEH-DCBWTQNWSA-N 1 0 281.371 3.387 20 10 CGCDRO Cc1ccsc1[C@@H](CO)[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000756735584 626728626 /nfs/dbraw/zinc/72/86/26/626728626.db2.gz FSPOVKCNUJYROQ-GXTWGEPZSA-N 1 0 291.416 3.455 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@H](C)C2)c2c1c(F)ccc2O ZINC000756781573 626731769 /nfs/dbraw/zinc/73/17/69/626731769.db2.gz GWZDNWISASIUMI-UZWSLXQKSA-N 1 0 279.355 3.237 20 10 CGCDRO CO[C@@H]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000756785574 626731927 /nfs/dbraw/zinc/73/19/27/626731927.db2.gz GGSBROXRCKINHC-IJEWVQPXSA-N 1 0 277.408 3.475 20 10 CGCDRO C[C@H]([NH2+]CC[C@H]1CCOC1)c1cc2c(cc1O)CCCC2 ZINC000757657655 626798460 /nfs/dbraw/zinc/79/84/60/626798460.db2.gz MPMJHLYXNGDHST-KBPBESRZSA-N 1 0 289.419 3.348 20 10 CGCDRO CCOc1ccc(C[NH2+]CC(C)(C)CC)c(O)c1 ZINC000758477944 626845537 /nfs/dbraw/zinc/84/55/37/626845537.db2.gz AORKIIXEWNQQRI-UHFFFAOYSA-N 1 0 251.370 3.317 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H](c2cccnc2)C2CC2)c1O ZINC000758633198 626852012 /nfs/dbraw/zinc/85/20/12/626852012.db2.gz UHAXSMBISXDIKX-QGZVFWFLSA-N 1 0 298.386 3.427 20 10 CGCDRO Cc1ncc([C@H](C)[NH2+]Cc2ccc3c(c2)CCO3)s1 ZINC000761433878 627041053 /nfs/dbraw/zinc/04/10/53/627041053.db2.gz FSYVZIXUYBUCLZ-JTQLQIEISA-N 1 0 274.389 3.237 20 10 CGCDRO C[C@@H]([NH2+]CCC1CC(O)C1)c1cc2c(cc1O)CCCC2 ZINC000762647141 627119197 /nfs/dbraw/zinc/11/91/97/627119197.db2.gz DNBWMBJKVUTJNK-VEAWUBTESA-N 1 0 289.419 3.083 20 10 CGCDRO Oc1cc2c(cc1C[NH+]1CCC(C(F)F)CC1)CCC2 ZINC000765148719 627241730 /nfs/dbraw/zinc/24/17/30/627241730.db2.gz WUBDSTMZJHQPKE-UHFFFAOYSA-N 1 0 281.346 3.358 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)[C@@H](C)OC)cc1F ZINC000765876698 627276392 /nfs/dbraw/zinc/27/63/92/627276392.db2.gz CKTCBDJLXCKXAK-CHWSQXEVSA-N 1 0 282.403 3.185 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](OC(C)C)C2(C)C)c(O)c1 ZINC000766089777 627294459 /nfs/dbraw/zinc/29/44/59/627294459.db2.gz RAOACBIMXIKOPC-JKSUJKDBSA-N 1 0 293.407 3.083 20 10 CGCDRO CC[C@@H]([NH2+]CCNc1ccccn1)c1ccc(N(C)C)cc1 ZINC000766141667 627299574 /nfs/dbraw/zinc/29/95/74/627299574.db2.gz IUYNUFFHKVNQET-QGZVFWFLSA-N 1 0 298.434 3.300 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]C[C@H]1CCCCN1C1CC1 ZINC000766222054 627304487 /nfs/dbraw/zinc/30/44/87/627304487.db2.gz DCKLZHRMOFQRHH-OAHLLOKOSA-N 1 0 294.826 3.152 20 10 CGCDRO CC[C@H]([NH2+]CCN1CCC[C@H]1C)c1ccc(N(C)C)cc1 ZINC000766274895 627311048 /nfs/dbraw/zinc/31/10/48/627311048.db2.gz WTRYBUBVTCUAJH-QAPCUYQASA-N 1 0 289.467 3.278 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CC(C)(C)OC)cc1 ZINC000766583058 627346223 /nfs/dbraw/zinc/34/62/23/627346223.db2.gz BDJBLSUQBAHNGV-CYBMUJFWSA-N 1 0 264.413 3.218 20 10 CGCDRO C[C@H](C[C@H]1CCOC1)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000766583921 627346306 /nfs/dbraw/zinc/34/63/06/627346306.db2.gz XIPZUYFCRXULQV-RBSFLKMASA-N 1 0 276.424 3.218 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCc3cc(O)ccc3C2)cc1C ZINC000767726418 627433068 /nfs/dbraw/zinc/43/30/68/627433068.db2.gz ATNAYUNSKOHDPK-QGZVFWFLSA-N 1 0 297.398 3.362 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCOC3(CCC3)C2)cc1F ZINC000767928804 627444806 /nfs/dbraw/zinc/44/48/06/627444806.db2.gz SFKYHEUVVPDFDJ-AWEZNQCLSA-N 1 0 292.398 3.083 20 10 CGCDRO COc1cc(C)cc(C[N@H+](Cc2cccnc2)C2CC2)c1O ZINC000835658345 634575981 /nfs/dbraw/zinc/57/59/81/634575981.db2.gz AZBOVZABDROSMB-UHFFFAOYSA-N 1 0 298.386 3.269 20 10 CGCDRO COc1cccc(O)c1C[N@H+](C)Cc1ccccc1C ZINC000768160061 627464112 /nfs/dbraw/zinc/46/41/12/627464112.db2.gz MKIJKBDAWIOXAL-UHFFFAOYSA-N 1 0 271.360 3.341 20 10 CGCDRO CCOc1ccc(C[N@H+](C)Cc2ccco2)c(O)c1 ZINC000768187049 627466989 /nfs/dbraw/zinc/46/69/89/627466989.db2.gz OTPWXNJRNBTPBR-UHFFFAOYSA-N 1 0 261.321 3.016 20 10 CGCDRO CCC[N@H+](C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768242807 627470975 /nfs/dbraw/zinc/47/09/75/627470975.db2.gz CHDBNABUZZHPJD-UHFFFAOYSA-N 1 0 291.395 3.427 20 10 CGCDRO CCC(CC)C[N@H+](CC)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768439718 627480078 /nfs/dbraw/zinc/48/00/78/627480078.db2.gz MSWLKCBGXDJQDK-INIZCTEOSA-N 1 0 293.407 3.076 20 10 CGCDRO CC[N@@H+](Cc1cc2c(cc1O)CCCC2)C[C@@H]1CCOC1 ZINC000768446623 627480458 /nfs/dbraw/zinc/48/04/58/627480458.db2.gz LQMGIMNHSZVSMO-AWEZNQCLSA-N 1 0 289.419 3.129 20 10 CGCDRO CC[C@H]1C[C@H](C)C[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000768464949 627481167 /nfs/dbraw/zinc/48/11/67/627481167.db2.gz CWPYOVNPOXOQGR-AAEUAGOBSA-N 1 0 279.380 3.030 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](CC)C[C@@H]2CCOC2)cc1 ZINC000768521006 627483071 /nfs/dbraw/zinc/48/30/71/627483071.db2.gz KZNYOOOEYVFWJU-KRWDZBQOSA-N 1 0 290.451 3.391 20 10 CGCDRO C[C@H]1CCCCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000769404098 627549555 /nfs/dbraw/zinc/54/95/55/627549555.db2.gz JAQWLMSGTCTSOH-INIZCTEOSA-N 1 0 288.435 3.288 20 10 CGCDRO COc1cccc(O)c1C[NH+]1CCc2ccccc2CC1 ZINC000769411767 627549788 /nfs/dbraw/zinc/54/97/88/627549788.db2.gz KWDUTCASCAPCRM-UHFFFAOYSA-N 1 0 283.371 3.002 20 10 CGCDRO CCOC[C@H]1CCC[N@H+](Cc2ccc(OCC)cc2O)C1 ZINC000769423189 627551141 /nfs/dbraw/zinc/55/11/41/627551141.db2.gz PKTVEARNCGKAGQ-AWEZNQCLSA-N 1 0 293.407 3.039 20 10 CGCDRO CS[C@H]1CCCC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000770351732 627615043 /nfs/dbraw/zinc/61/50/43/627615043.db2.gz UVLGPRZWVMENGC-INIZCTEOSA-N 1 0 278.465 3.470 20 10 CGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H]2CCCC[C@@H]2C)c1O ZINC000771791414 627731629 /nfs/dbraw/zinc/73/16/29/627731629.db2.gz LCPHEVXSFHBWTE-ZUZCIYMTSA-N 1 0 279.355 3.402 20 10 CGCDRO CC(C)[C@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2O)CCO1 ZINC000771893751 627742241 /nfs/dbraw/zinc/74/22/41/627742241.db2.gz QLWCQPIJPCZRJX-UKRRQHHQSA-N 1 0 283.799 3.339 20 10 CGCDRO C[N@H+](Cc1cn[nH]c1)Cc1ccc(N2CCCCC2)cc1 ZINC000771934830 627746310 /nfs/dbraw/zinc/74/63/10/627746310.db2.gz AVUACXWVQQXSBZ-UHFFFAOYSA-N 1 0 284.407 3.032 20 10 CGCDRO COc1cccc(C[N@@H+]2CC[C@H]2c2ccccc2)c1O ZINC000771941277 627747670 /nfs/dbraw/zinc/74/76/70/627747670.db2.gz ZMXJKZNPCHUCHU-HNNXBMFYSA-N 1 0 269.344 3.348 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cnn(CC)c1)c1ccc(N(C)C)cc1 ZINC000772997699 627839362 /nfs/dbraw/zinc/83/93/62/627839362.db2.gz ILMOYHHIWBRLQQ-QGZVFWFLSA-N 1 0 286.423 3.210 20 10 CGCDRO Cc1cc(C[NH2+][C@H]2CC(C)(C)OC2(C)C)ccc1N(C)C ZINC000773001922 627840311 /nfs/dbraw/zinc/84/03/11/627840311.db2.gz UFPDACZSTRAKKR-INIZCTEOSA-N 1 0 290.451 3.497 20 10 CGCDRO C[C@@H]([NH2+]CCN1CCC1)c1ccc(N2CCCCC2)cc1 ZINC000773097137 627855643 /nfs/dbraw/zinc/85/56/43/627855643.db2.gz ZOCORNNGMMEOIZ-MRXNPFEDSA-N 1 0 287.451 3.033 20 10 CGCDRO CCN(C)c1ccc(C[N@H+](C)CCOCC2CC2)cc1 ZINC000773767165 627914149 /nfs/dbraw/zinc/91/41/49/627914149.db2.gz YEPVOQGNRAIFKR-UHFFFAOYSA-N 1 0 276.424 3.001 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCCC[C@@H](COC)C2)cc1 ZINC000773861963 627920822 /nfs/dbraw/zinc/92/08/22/627920822.db2.gz XNYKSSASANJMPK-QGZVFWFLSA-N 1 0 290.451 3.391 20 10 CGCDRO C[C@@H]([NH2+]C[C@H](O)c1c(F)cccc1F)c1ccccc1O ZINC000775137752 628066888 /nfs/dbraw/zinc/06/68/88/628066888.db2.gz YCOVZBITHUZELZ-BMIGLBTASA-N 1 0 293.313 3.055 20 10 CGCDRO CCCN(Cc1ccc(F)nc1)c1ccc(C[NH3+])cc1 ZINC000775140193 628067186 /nfs/dbraw/zinc/06/71/86/628067186.db2.gz KNUGGZGTFKLKGH-UHFFFAOYSA-N 1 0 273.355 3.096 20 10 CGCDRO CCC[C@]1(C(=O)OCC)CCC[N@@H+]1Cc1ccccc1O ZINC000775186012 628070887 /nfs/dbraw/zinc/07/08/87/628070887.db2.gz ZBYXNZWCZAPBNI-QGZVFWFLSA-N 1 0 291.391 3.090 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H](C)N(C)C)c1cc(Cl)ccc1O ZINC000775499359 628100739 /nfs/dbraw/zinc/10/07/39/628100739.db2.gz RDYFMMBAQQAZCG-ZWNOBZJWSA-N 1 0 270.804 3.036 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](C1CC1)N(C)C)c1cc(Cl)ccc1O ZINC000775493944 628101220 /nfs/dbraw/zinc/10/12/20/628101220.db2.gz WUKMGSLSOJHYII-GJZGRUSLSA-N 1 0 296.842 3.427 20 10 CGCDRO CCCCC[N@H+](CCO)Cc1cc(Cl)cc(C)c1O ZINC000775648386 628119280 /nfs/dbraw/zinc/11/92/80/628119280.db2.gz STTJEVQOSZFQRR-UHFFFAOYSA-N 1 0 285.815 3.339 20 10 CGCDRO COc1cc(O)c(C[NH2+]CC2(C)CCCCC2)cc1OC ZINC000776251471 628184511 /nfs/dbraw/zinc/18/45/11/628184511.db2.gz ZOYMYJBJULGTEJ-UHFFFAOYSA-N 1 0 293.407 3.469 20 10 CGCDRO COc1cc(F)cc(C[NH2+]Cc2c(O)cccc2Cl)c1 ZINC000776251911 628184800 /nfs/dbraw/zinc/18/48/00/628184800.db2.gz BYXOUSQBIHEUGY-UHFFFAOYSA-N 1 0 295.741 3.483 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+]C[C@H]2CCO[C@@H](C)C2)c1O ZINC000776256208 628185553 /nfs/dbraw/zinc/18/55/53/628185553.db2.gz NDOFTPLSFTWFPN-RYUDHWBXSA-N 1 0 283.799 3.259 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@@H](OCC3CC3)C2)c1 ZINC000777554831 628283211 /nfs/dbraw/zinc/28/32/11/628283211.db2.gz JWDNHIMQQCRQHZ-QGZVFWFLSA-N 1 0 289.419 3.400 20 10 CGCDRO C[C@@H]1c2ccccc2OCC[N@H+]1Cc1cc(F)ccc1O ZINC000778999662 628381534 /nfs/dbraw/zinc/38/15/34/628381534.db2.gz JGILZSMBLWJTTJ-GFCCVEGCSA-N 1 0 287.334 3.487 20 10 CGCDRO C[N@H+](CCOc1ccc(F)cc1)Cc1cc(F)ccc1O ZINC000778993828 628381884 /nfs/dbraw/zinc/38/18/84/628381884.db2.gz APAAYQRXJROCCU-UHFFFAOYSA-N 1 0 293.313 3.181 20 10 CGCDRO COCC[N@H+](Cc1cccs1)Cc1cc(F)ccc1O ZINC000778994379 628382239 /nfs/dbraw/zinc/38/22/39/628382239.db2.gz KJXVTNVTYGWXFQ-UHFFFAOYSA-N 1 0 295.379 3.241 20 10 CGCDRO Cc1cc([C@@H]2CCC[N@@H+]2Cc2cc(F)ccc2O)on1 ZINC000779000164 628382929 /nfs/dbraw/zinc/38/29/29/628382929.db2.gz QVVVJEYQGGVECY-ZDUSSCGKSA-N 1 0 276.311 3.165 20 10 CGCDRO Cc1cccc2c1CC[N@H+](Cc1cc(F)ccc1O)C2 ZINC000779014916 628383227 /nfs/dbraw/zinc/38/32/27/628383227.db2.gz RHOBFZNBUVQURI-UHFFFAOYSA-N 1 0 271.335 3.398 20 10 CGCDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2cc(F)ccc2O)C12CCC2 ZINC000779034844 628385063 /nfs/dbraw/zinc/38/50/63/628385063.db2.gz VGJFSVYNZDEQIS-CVEARBPZSA-N 1 0 293.382 3.311 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+]2CC=CCC2)cc1F ZINC000779159386 628391794 /nfs/dbraw/zinc/39/17/94/628391794.db2.gz HRYHOHGRSCFYTI-UHFFFAOYSA-N 1 0 262.372 3.434 20 10 CGCDRO CC[C@H]([NH2+]C[C@H]1CCC=CO1)c1ccc(N(C)C)cc1 ZINC000783302101 628701376 /nfs/dbraw/zinc/70/13/76/628701376.db2.gz BKLBZESDNZBMOE-SJORKVTESA-N 1 0 274.408 3.486 20 10 CGCDRO COc1nc(C)cc(C)c1C[NH2+][C@@H](C)c1ccccc1O ZINC000783505596 628719018 /nfs/dbraw/zinc/71/90/18/628719018.db2.gz IFKJZCYGTXBFEM-ZDUSSCGKSA-N 1 0 286.375 3.263 20 10 CGCDRO Cc1ncc(CC[NH2+][C@H](C)c2ccccc2O)s1 ZINC000783517242 628720010 /nfs/dbraw/zinc/72/00/10/628720010.db2.gz GXNFWWLLORSFDJ-SNVBAGLBSA-N 1 0 262.378 3.050 20 10 CGCDRO Cc1noc(C)c1CCC[NH2+][C@@H](C)c1ccccc1O ZINC000783518521 628720650 /nfs/dbraw/zinc/72/06/50/628720650.db2.gz CYHJQBWBNUKTJS-NSHDSACASA-N 1 0 274.364 3.280 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCS[C@@H]1C ZINC000783628889 628732918 /nfs/dbraw/zinc/73/29/18/628732918.db2.gz NDNQCPDSDBLXIG-IUODEOHRSA-N 1 0 264.438 3.045 20 10 CGCDRO C[NH+](C)CCc1ccccc1NCc1cc(F)ccc1O ZINC000783743963 628744498 /nfs/dbraw/zinc/74/44/98/628744498.db2.gz NDIGZJKOYXGJAQ-UHFFFAOYSA-N 1 0 288.366 3.248 20 10 CGCDRO COc1ccc(C[NH2+]C[C@@H](O)CCc2ccccc2)cc1C ZINC000784679271 628829412 /nfs/dbraw/zinc/82/94/12/628829412.db2.gz DKAJCIAGAJCCPM-SFHVURJKSA-N 1 0 299.414 3.087 20 10 CGCDRO CC[C@H]([NH2+]C[C@H](C)OC)c1cc(Cl)ccc1O ZINC000785573126 628871770 /nfs/dbraw/zinc/87/17/70/628871770.db2.gz NRIBKEPLQPFBIJ-CABZTGNLSA-N 1 0 257.761 3.121 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCOc2cccnc2)c(O)c1 ZINC000788604283 629068656 /nfs/dbraw/zinc/06/86/56/629068656.db2.gz HXGZCJGVFKNLMY-AWEZNQCLSA-N 1 0 286.375 3.134 20 10 CGCDRO Cc1ncc(C[NH2+][C@@H](C)Cc2ccc(N(C)C)cc2C)o1 ZINC000862394783 629361014 /nfs/dbraw/zinc/36/10/14/629361014.db2.gz QSPKHVHFDLADPS-ZDUSSCGKSA-N 1 0 287.407 3.078 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)c1ccns1 ZINC000862538686 629394684 /nfs/dbraw/zinc/39/46/84/629394684.db2.gz CNVPGQDIBNCVMX-LBPRGKRZSA-N 1 0 275.421 3.368 20 10 CGCDRO COc1cc(C)cc(C[NH+]2CCC(C3CC3)CC2)c1O ZINC000793629193 629491591 /nfs/dbraw/zinc/49/15/91/629491591.db2.gz BDBPQACTWCQCIA-UHFFFAOYSA-N 1 0 275.392 3.331 20 10 CGCDRO Oc1ccc2ccncc2c1C[NH+](C1CC1)C1CC1 ZINC000863302713 629528779 /nfs/dbraw/zinc/52/87/79/629528779.db2.gz KDVRBEWYDZKQLZ-UHFFFAOYSA-N 1 0 254.333 3.067 20 10 CGCDRO CC[C@H]([NH2+]Cc1cc(C)ncn1)c1ccc(C)cc1O ZINC000794813382 629581184 /nfs/dbraw/zinc/58/11/84/629581184.db2.gz CYHQWFJUZZVEOJ-HNNXBMFYSA-N 1 0 271.364 3.040 20 10 CGCDRO CC[C@H](N[C@H]1CC[NH2+]C12CCC2)c1ccc(N(C)C)cc1 ZINC000863540993 629602102 /nfs/dbraw/zinc/60/21/02/629602102.db2.gz FNBXCKSOWWCXPD-IRXDYDNUSA-N 1 0 287.451 3.078 20 10 CGCDRO CC(C)C[C@H](O)C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000119761803 629723736 /nfs/dbraw/zinc/72/37/36/629723736.db2.gz OXVJEMFIKBUNBD-SFHVURJKSA-N 1 0 290.451 3.174 20 10 CGCDRO CCc1ccc([C@@H](O)C[NH2+]Cc2ccc(OC)c(C)c2)cc1 ZINC000796452841 629782835 /nfs/dbraw/zinc/78/28/35/629782835.db2.gz YQCXMSAIDDMXAJ-SFHVURJKSA-N 1 0 299.414 3.389 20 10 CGCDRO CC(C)CC[C@@H](O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000796457523 629784137 /nfs/dbraw/zinc/78/41/37/629784137.db2.gz XAKPGUMGLGQPSI-WMLDXEAASA-N 1 0 278.440 3.200 20 10 CGCDRO CC[C@H]([NH2+]CC1CC[NH+](CC)CC1)c1ccc(F)cc1[O-] ZINC000796748378 629825016 /nfs/dbraw/zinc/82/50/16/629825016.db2.gz UQDPHXUDLFMACQ-INIZCTEOSA-N 1 0 294.414 3.304 20 10 CGCDRO c1csc(SCCC[NH2+][C@H]2CCCc3n[nH]cc32)n1 ZINC000796772441 629830465 /nfs/dbraw/zinc/83/04/65/629830465.db2.gz RRWPQXBFCRDMFR-NSHDSACASA-N 1 0 294.449 3.016 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(F)cc1[O-] ZINC000796799577 629836252 /nfs/dbraw/zinc/83/62/52/629836252.db2.gz RHXRWRQONUUZFS-FMKPAKJESA-N 1 0 294.414 3.445 20 10 CGCDRO C[C@H]([NH2+][C@H]1CSC[C@H]1C)c1cc(Cl)ccc1O ZINC000797066937 629881420 /nfs/dbraw/zinc/88/14/20/629881420.db2.gz VHXXMRMIOKVYGZ-PTRXPTGYSA-N 1 0 271.813 3.448 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CSC[C@H]2C)c(O)c1C ZINC000797067306 629881472 /nfs/dbraw/zinc/88/14/72/629881472.db2.gz YTESOZCYYBSDQJ-SCDSUCTJSA-N 1 0 265.422 3.411 20 10 CGCDRO COc1ccc(O)c(C[NH2+]Cc2cc(C)nc(Cl)c2)c1 ZINC000797600286 629967495 /nfs/dbraw/zinc/96/74/95/629967495.db2.gz OXVQRGVCRNRPGP-UHFFFAOYSA-N 1 0 292.766 3.047 20 10 CGCDRO CC[C@H]([NH2+][C@H](CCO)Cc1ccccc1)c1ccccc1O ZINC000799730245 630227097 /nfs/dbraw/zinc/22/70/97/630227097.db2.gz CUTLVGKCNYOZSW-AEFFLSMTSA-N 1 0 299.414 3.427 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CC[C@H]2CCSC2)cc1C ZINC000865654509 630259470 /nfs/dbraw/zinc/25/94/70/630259470.db2.gz NZQZQDGFXUWYIC-ZDUSSCGKSA-N 1 0 265.422 3.242 20 10 CGCDRO COc1ccc(O)c(C[NH2+]CCc2cccc3[nH]ccc32)c1 ZINC000800535520 630291739 /nfs/dbraw/zinc/29/17/39/630291739.db2.gz CGLSGKZXSKUEQD-UHFFFAOYSA-N 1 0 296.370 3.214 20 10 CGCDRO CN1CCCc2cc(C[NH2+][C@H]3CCC[C@H]4C[C@H]43)ccc21 ZINC000800969314 630314290 /nfs/dbraw/zinc/31/42/90/630314290.db2.gz LPYGJNFFKNDYCP-UAGQMJEPSA-N 1 0 270.420 3.347 20 10 CGCDRO CCCC[N@H+](Cc1cnc(C)cn1)Cc1ccccc1O ZINC000801599246 630347620 /nfs/dbraw/zinc/34/76/20/630347620.db2.gz HBJMJFMEZBAIAS-UHFFFAOYSA-N 1 0 285.391 3.293 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@H](C)c2cnc(C)s2)c1 ZINC000865701932 630396415 /nfs/dbraw/zinc/39/64/15/630396415.db2.gz SNOUQMBWIVLSCL-SNVBAGLBSA-N 1 0 292.404 3.407 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H](C)c2cnc(C)s2)c1O ZINC000865701877 630396636 /nfs/dbraw/zinc/39/66/36/630396636.db2.gz RAWVCNZEHRVTJH-JTQLQIEISA-N 1 0 292.404 3.407 20 10 CGCDRO CC[C@@H]1CC[C@H]1[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000806134061 630546262 /nfs/dbraw/zinc/54/62/62/630546262.db2.gz UQEROTZZBJTLFW-HDMKZQKVSA-N 1 0 288.435 3.362 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000806141968 630548395 /nfs/dbraw/zinc/54/83/95/630548395.db2.gz XMGHXUSYVSNTML-DLBZAZTESA-N 1 0 258.409 3.339 20 10 CGCDRO CC[C@H]([NH2+]CC1=CCCOC1)c1cc(Cl)ccc1O ZINC000806177764 630553378 /nfs/dbraw/zinc/55/33/78/630553378.db2.gz JAVXFHDSWAAAHW-AWEZNQCLSA-N 1 0 281.783 3.433 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)c1 ZINC000840118346 630599942 /nfs/dbraw/zinc/59/99/42/630599942.db2.gz DEZGKOUOOLPEJF-BRWVUGGUSA-N 1 0 289.419 3.134 20 10 CGCDRO CCN1CCC[C@H]1C[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808672264 630662322 /nfs/dbraw/zinc/66/23/22/630662322.db2.gz HWXFRPCSJWGESL-OCCSQVGLSA-N 1 0 296.842 3.489 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H]2CCCO2)c1O ZINC000808672482 630662341 /nfs/dbraw/zinc/66/23/41/630662341.db2.gz OZANUNPKVQJBMU-CMPLNLGQSA-N 1 0 269.772 3.184 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H]2CCCN2C)c1O ZINC000808680559 630663778 /nfs/dbraw/zinc/66/37/78/630663778.db2.gz LNTWJCVDBFIXET-DGCLKSJQSA-N 1 0 282.815 3.099 20 10 CGCDRO Cc1nccn1CC[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808685103 630664571 /nfs/dbraw/zinc/66/45/71/630664571.db2.gz AYAWMILXJCJSDN-LLVKDONJSA-N 1 0 293.798 3.210 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)Cn2cccn2)c1O ZINC000808704378 630666946 /nfs/dbraw/zinc/66/69/46/630666946.db2.gz CCHVDILYXNVUFS-RYUDHWBXSA-N 1 0 293.798 3.290 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCC[C@@H](C)O)c1O ZINC000808716811 630670472 /nfs/dbraw/zinc/67/04/72/630670472.db2.gz WQSCNWPMSBQKDM-GHMZBOCLSA-N 1 0 271.788 3.166 20 10 CGCDRO Cc1cccc(C[NH2+]CC2(C(F)(F)F)CC2)c1O ZINC000809706152 630786847 /nfs/dbraw/zinc/78/68/47/630786847.db2.gz MVJWKSSHPLBPHA-UHFFFAOYSA-N 1 0 259.271 3.133 20 10 CGCDRO Cc1ccc2c(c1)C[N@@H+](Cc1ccccc1O)CCO2 ZINC000809704292 630787431 /nfs/dbraw/zinc/78/74/31/630787431.db2.gz YHCWBCIQUFOJDT-UHFFFAOYSA-N 1 0 269.344 3.095 20 10 CGCDRO COc1cccc(C[NH2+]Cc2cnc(C3CC3)s2)c1O ZINC000809739973 630796806 /nfs/dbraw/zinc/79/68/06/630796806.db2.gz JGJWNHARVNBKBY-UHFFFAOYSA-N 1 0 290.388 3.025 20 10 CGCDRO C[C@H](C[N@H+](Cc1ccccc1O)[C@@H](C)CO)c1ccccc1 ZINC000809774931 630804158 /nfs/dbraw/zinc/80/41/58/630804158.db2.gz VFVFNUYVTPBLKH-CVEARBPZSA-N 1 0 299.414 3.379 20 10 CGCDRO CCC(CC)[N@H+](CC)Cc1cccc(OC)c1O ZINC000809788275 630809927 /nfs/dbraw/zinc/80/99/27/630809927.db2.gz PGCLCCUORAUQEH-UHFFFAOYSA-N 1 0 251.370 3.411 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)cc1 ZINC000810026969 630830227 /nfs/dbraw/zinc/83/02/27/630830227.db2.gz IHXYRTFNRVLWHS-IAGOWNOFSA-N 1 0 288.435 3.142 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](CC)CO)c1ccc(C(F)(F)F)cc1O ZINC000810208523 630853850 /nfs/dbraw/zinc/85/38/50/630853850.db2.gz WJGWJLRDQFEYAT-CMPLNLGQSA-N 1 0 291.313 3.223 20 10 CGCDRO CC[C@@H]([NH2+][C@H](CO)C1CCCC1)c1ccc(N(C)C)cc1 ZINC000810259564 630861482 /nfs/dbraw/zinc/86/14/82/630861482.db2.gz LXDNAMJNCIFTNX-QZTJIDSGSA-N 1 0 290.451 3.344 20 10 CGCDRO CC[C@H]([NH2+][C@H](CO)C1CCCC1)c1ccc(C)cc1O ZINC000810259991 630861590 /nfs/dbraw/zinc/86/15/90/630861590.db2.gz ZKIFZOLRMIIKDP-JKSUJKDBSA-N 1 0 277.408 3.292 20 10 CGCDRO Cc1c[nH+]ccc1NCc1c(O)ccc2c1CCCC2 ZINC000811808661 631121661 /nfs/dbraw/zinc/12/16/61/631121661.db2.gz NKXWPPVWGQLTBF-UHFFFAOYSA-N 1 0 268.360 3.008 20 10 CGCDRO CC[N@H+](Cc1cc(C(C)(C)C)cc(O)c1O)[C@H]1CCOC1 ZINC000812297302 631236330 /nfs/dbraw/zinc/23/63/30/631236330.db2.gz YZVWKPKRXWAOKC-AWEZNQCLSA-N 1 0 293.407 3.006 20 10 CGCDRO CC[C@H](O)C[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000813885856 631476212 /nfs/dbraw/zinc/47/62/12/631476212.db2.gz XKOIQWCOCJXYGZ-QAPCUYQASA-N 1 0 290.451 3.489 20 10 CGCDRO CCOc1ccc(C[NH+]2CCC(C3CC3)CC2)c(O)c1 ZINC000814172546 631539012 /nfs/dbraw/zinc/53/90/12/631539012.db2.gz RTJNVKOLEGOTCZ-UHFFFAOYSA-N 1 0 275.392 3.413 20 10 CGCDRO Cc1cc(C[N@@H+]2CCC[C@H]3COCC[C@H]32)ccc1N(C)C ZINC000815061478 631709367 /nfs/dbraw/zinc/70/93/67/631709367.db2.gz WGGOFJMIYWINJS-FUHWJXTLSA-N 1 0 288.435 3.062 20 10 CGCDRO Cc1cc(C[N@@H+]2CC[C@@H](C3CC3)C2)ccc1N(C)C ZINC000815078251 631712981 /nfs/dbraw/zinc/71/29/81/631712981.db2.gz UAOPEUZMQGIGHN-MRXNPFEDSA-N 1 0 258.409 3.293 20 10 CGCDRO CC[C@]1(C)C[N@H+](Cc2ccc(N(C)C)c(C)c2)CCO1 ZINC000815099900 631716786 /nfs/dbraw/zinc/71/67/86/631716786.db2.gz ODCBFLCEPCPDKE-QGZVFWFLSA-N 1 0 276.424 3.062 20 10 CGCDRO COc1cccc(C[NH2+]C2CC(C(C)(C)C)C2)c1O ZINC000815146433 631730194 /nfs/dbraw/zinc/73/01/94/631730194.db2.gz HJPZEAKTWJYDIX-UHFFFAOYSA-N 1 0 263.381 3.315 20 10 CGCDRO CN(C)c1ccc(CNc2cc3c(c[nH+]2)CCC3)cc1 ZINC000815158861 631733058 /nfs/dbraw/zinc/73/30/58/631733058.db2.gz CNAKAFANHUWUCT-UHFFFAOYSA-N 1 0 267.376 3.248 20 10 CGCDRO CCC(CC)[C@@H](O)C[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000815578187 631799061 /nfs/dbraw/zinc/79/90/61/631799061.db2.gz JNFWGWBVHVQECB-BBRMVZONSA-N 1 0 279.424 3.457 20 10 CGCDRO CCc1cc(C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)on1 ZINC000815582363 631800782 /nfs/dbraw/zinc/80/07/82/631800782.db2.gz DLRFUDAMSWWBBZ-LBPRGKRZSA-N 1 0 274.364 3.410 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]C2CCC(C)(O)CC2)c(O)c1 ZINC000815586849 631801546 /nfs/dbraw/zinc/80/15/46/631801546.db2.gz TXJGBPGLGNUONM-CBCUQQMYSA-N 1 0 277.408 3.353 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]CC[C@@H]2CCOC2)c(O)c1 ZINC000815615633 631805547 /nfs/dbraw/zinc/80/55/47/631805547.db2.gz TVPSUOBQPNQGME-UONOGXRCSA-N 1 0 263.381 3.086 20 10 CGCDRO C[C@H]([NH2+][C@@H](C)c1cc[nH]c(=O)c1)c1ccc(N(C)C)cc1 ZINC000815642934 631811284 /nfs/dbraw/zinc/81/12/84/631811284.db2.gz PBDSHGSUGOIFDE-STQMWFEESA-N 1 0 285.391 3.265 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2cc[nH]c(=O)c2)c1 ZINC000815643047 631811534 /nfs/dbraw/zinc/81/15/34/631811534.db2.gz RWQQQRQDSSDRNQ-NEPJUHHUSA-N 1 0 272.348 3.213 20 10 CGCDRO Oc1c(C[NH+]2CCSCC2)ccc2ccccc21 ZINC000816484018 631989625 /nfs/dbraw/zinc/98/96/25/631989625.db2.gz NEGSLZJSBJQUJF-UHFFFAOYSA-N 1 0 259.374 3.094 20 10 CGCDRO COC1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC000816483264 631990383 /nfs/dbraw/zinc/99/03/83/631990383.db2.gz MCNAQVXHAHNBPT-UHFFFAOYSA-N 1 0 271.360 3.156 20 10 CGCDRO CCOCC[N@H+](CC)Cc1ccc2ccccc2c1O ZINC000816497812 631994024 /nfs/dbraw/zinc/99/40/24/631994024.db2.gz TXFQBGIQKWSKJF-UHFFFAOYSA-N 1 0 273.376 3.404 20 10 CGCDRO CCN1CC[N@H+](Cc2ccc3ccccc3c2O)C[C@H]1C ZINC000816506708 631997177 /nfs/dbraw/zinc/99/71/77/631997177.db2.gz KQDCFUFZTCWFNK-CQSZACIVSA-N 1 0 284.403 3.071 20 10 CGCDRO Cc1nccn1CCC[NH2+]Cc1ccc2ccccc2c1O ZINC000816536079 632005555 /nfs/dbraw/zinc/00/55/55/632005555.db2.gz LOSVEZHULBIFNF-UHFFFAOYSA-N 1 0 295.386 3.230 20 10 CGCDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc3ccccc3c2O)CCO1 ZINC000816559022 632011227 /nfs/dbraw/zinc/01/12/27/632011227.db2.gz VAHLJFDVQVMXGD-WFASDCNBSA-N 1 0 271.360 3.203 20 10 CGCDRO Oc1c(C[N@@H+]2CC[C@H](n3cccn3)C2)ccc2ccccc21 ZINC000816617422 632025196 /nfs/dbraw/zinc/02/51/96/632025196.db2.gz YTLDGKCPYBKAFE-INIZCTEOSA-N 1 0 293.370 3.189 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCOC[C@H]2CC2CCC2)cc1C ZINC000816667293 632042072 /nfs/dbraw/zinc/04/20/72/632042072.db2.gz JAHIDXCKFDSSOT-QGZVFWFLSA-N 1 0 289.419 3.400 20 10 CGCDRO CCOc1ccc(C[NH+]2C[C@@H](CC)O[C@H](CC)C2)c(O)c1 ZINC000817412045 632142559 /nfs/dbraw/zinc/14/25/59/632142559.db2.gz BRGFKMNLBXRLIP-HUUCEWRRSA-N 1 0 293.407 3.180 20 10 CGCDRO COc1ccc(C[NH2+]Cc2cc(C)nc(C)c2)cc1C ZINC000817411709 632142685 /nfs/dbraw/zinc/14/26/85/632142685.db2.gz UJXFMRBCEWUSME-UHFFFAOYSA-N 1 0 270.376 3.305 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CC23CCSCC3)c1 ZINC000817411866 632142756 /nfs/dbraw/zinc/14/27/56/632142756.db2.gz XNAILCPSCSEICZ-ZDUSSCGKSA-N 1 0 293.432 3.024 20 10 CGCDRO C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000817414611 632144599 /nfs/dbraw/zinc/14/45/99/632144599.db2.gz MDTYPSFDDANKSM-QAPCUYQASA-N 1 0 288.435 3.022 20 10 CGCDRO Cc1cccc([C@H](C)[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)c1 ZINC000817939110 632238614 /nfs/dbraw/zinc/23/86/14/632238614.db2.gz ZCUFEGBJNYZGJY-HNAYVOBHSA-N 1 0 297.446 3.412 20 10 CGCDRO CC[NH2+]CCN[C@@H](CC)c1ccc(C(F)(F)F)cc1O ZINC000817953256 632247847 /nfs/dbraw/zinc/24/78/47/632247847.db2.gz YEKLRKBPBPAXCD-LBPRGKRZSA-N 1 0 290.329 3.061 20 10 CGCDRO CC[NH2+]CCN[C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000817953320 632248031 /nfs/dbraw/zinc/24/80/31/632248031.db2.gz ZZQYCEZWQPCPRM-MRXNPFEDSA-N 1 0 289.467 3.327 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](N)c2ccccc2)c1 ZINC000817955577 632250307 /nfs/dbraw/zinc/25/03/07/632250307.db2.gz ZGLHKDWZGHHOGE-CJNGLKHVSA-N 1 0 270.376 3.051 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](N)c2ccccc2)c(O)c1C ZINC000817955195 632250690 /nfs/dbraw/zinc/25/06/90/632250690.db2.gz SAYFMVMTNNETNB-WMLDXEAASA-N 1 0 284.403 3.360 20 10 CGCDRO Nc1ccc(CC[NH2+][C@H]2CSCCc3ccccc32)cc1 ZINC000817955860 632251242 /nfs/dbraw/zinc/25/12/42/632251242.db2.gz JKCXWCMPRKJAJJ-SFHVURJKSA-N 1 0 298.455 3.432 20 10 CGCDRO C[C@H]([NH2+]CCc1ccc(N)cc1)c1ccc(F)cc1F ZINC000817956017 632251285 /nfs/dbraw/zinc/25/12/85/632251285.db2.gz NRMGTQSIPWUQSI-NSHDSACASA-N 1 0 276.330 3.440 20 10 CGCDRO Nc1ccc(CC[NH2+][C@@H](c2cncc(F)c2)C2CC2)cc1 ZINC000817956748 632252205 /nfs/dbraw/zinc/25/22/05/632252205.db2.gz BXGLMWMBZRSICF-QGZVFWFLSA-N 1 0 285.366 3.086 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCc2ccc(N)cc2)c(O)c1C ZINC000817957872 632253063 /nfs/dbraw/zinc/25/30/63/632253063.db2.gz QCVGFZORWZDIMQ-CQSZACIVSA-N 1 0 284.403 3.485 20 10 CGCDRO C[C@H]([NH2+]CCc1ccc(N)cc1)c1cccc(F)c1F ZINC000817958552 632253693 /nfs/dbraw/zinc/25/36/93/632253693.db2.gz XFPDSZBMOIZCHU-NSHDSACASA-N 1 0 276.330 3.440 20 10 CGCDRO COc1ccc([C@@H](C)[NH2+]CCc2ccc(N)cc2)c(C)c1 ZINC000817958825 632254694 /nfs/dbraw/zinc/25/46/94/632254694.db2.gz ZAFLUQWMPJETDN-CQSZACIVSA-N 1 0 284.403 3.479 20 10 CGCDRO C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817964569 632258804 /nfs/dbraw/zinc/25/88/04/632258804.db2.gz CMGYILYDHKGVOY-MADCSZMMSA-N 1 0 289.206 3.087 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1cccc(Cl)c1[O-] ZINC000817970121 632262669 /nfs/dbraw/zinc/26/26/69/632262669.db2.gz LVVOPJUGZYNNSZ-WDMOLILDSA-N 1 0 282.815 3.356 20 10 CGCDRO C[C@H](CCC[NH3+])[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000817977448 632268777 /nfs/dbraw/zinc/26/87/77/632268777.db2.gz KLKSMDQDOMKAHJ-ZJUUUORDSA-N 1 0 290.329 3.189 20 10 CGCDRO CC[C@H]([NH2+][C@@H](CN)C1CCCC1)c1ccc(C)cc1O ZINC000817981407 632271961 /nfs/dbraw/zinc/27/19/61/632271961.db2.gz JAIHIJQRSXCSGN-HOTGVXAUSA-N 1 0 276.424 3.259 20 10 CGCDRO CC[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818342678 632310805 /nfs/dbraw/zinc/31/08/05/632310805.db2.gz UPBAKFHPYHYVFT-HDMKZQKVSA-N 1 0 288.435 3.300 20 10 CGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H](C)CC3CC3)C2)cc1 ZINC000818344024 632311229 /nfs/dbraw/zinc/31/12/29/632311229.db2.gz HJLXDMBCJSSTBH-HOCLYGCPSA-N 1 0 288.435 3.300 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CC12CC2)c1cc(Br)ccc1O ZINC000818355498 632312745 /nfs/dbraw/zinc/31/27/45/632312745.db2.gz GYSHMIDLUBOQMT-PRHODGIISA-N 1 0 282.181 3.358 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3C[C@H]3C2)c2c1c(F)ccc2O ZINC000818359443 632314636 /nfs/dbraw/zinc/31/46/36/632314636.db2.gz KQLHOBVHLROHOH-HMUNZLOLSA-N 1 0 261.340 3.468 20 10 CGCDRO COC(C)(C)CC[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000865754407 632878688 /nfs/dbraw/zinc/87/86/88/632878688.db2.gz HRAFBMNURPSVEW-UHFFFAOYSA-N 1 0 271.788 3.259 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H](C2CCC2)[C@H]2CCOC2)cc1 ZINC000865762172 632883593 /nfs/dbraw/zinc/88/35/93/632883593.db2.gz WQBFRVTZXHTUPJ-WMZOPIPTSA-N 1 0 288.435 3.047 20 10 CGCDRO CS[C@@H]1CC[C@@H]1[NH2+][C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000822489913 632946399 /nfs/dbraw/zinc/94/63/99/632946399.db2.gz MLWLKGDZOWSRCR-RRQGHBQHSA-N 1 0 292.492 3.476 20 10 CGCDRO CCCC[N@@H+](Cc1ccccc1O)C[C@@H](OC)C1CC1 ZINC000823025673 633051069 /nfs/dbraw/zinc/05/10/69/633051069.db2.gz KZMINIXEPGXBEE-QGZVFWFLSA-N 1 0 277.408 3.419 20 10 CGCDRO Cc1cccc(C[N@H+](C)Cc2ccccc2O)c1F ZINC000823408845 633099557 /nfs/dbraw/zinc/09/95/57/633099557.db2.gz RSELREBWIXHIKL-UHFFFAOYSA-N 1 0 259.324 3.472 20 10 CGCDRO CC[C@H]([NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23)c1ccc(C)cc1O ZINC000866445301 633134861 /nfs/dbraw/zinc/13/48/61/633134861.db2.gz ORQXDZRLDMNNPX-XBQCTYLHSA-N 1 0 287.403 3.165 20 10 CGCDRO C[C@H]1C[C@@H]([NH2+]Cc2ccnc(F)c2)c2c1c(F)ccc2O ZINC000866473434 633147552 /nfs/dbraw/zinc/14/75/52/633147552.db2.gz NKLKWMQIIUSVBW-JOYOIKCWSA-N 1 0 290.313 3.404 20 10 CGCDRO CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)CCO1 ZINC000823752586 633148596 /nfs/dbraw/zinc/14/85/96/633148596.db2.gz IJXRMFZNQGJEQU-LSDHHAIUSA-N 1 0 263.381 3.051 20 10 CGCDRO C[C@H]([NH2+]Cc1cccc2c1CCOC2)c1ccccc1O ZINC000866479464 633151509 /nfs/dbraw/zinc/15/15/09/633151509.db2.gz UHDZMCOGYDMNTA-ZDUSSCGKSA-N 1 0 283.371 3.316 20 10 CGCDRO CS[C@H]1C[C@H]([NH2+][C@H](C)c2cc(F)ccc2O)C1 ZINC000866488124 633156766 /nfs/dbraw/zinc/15/67/66/633156766.db2.gz KIXBIVNTOYKISU-FBIMIBRVSA-N 1 0 255.358 3.076 20 10 CGCDRO CC[C@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)c1ccccc1O ZINC000121084659 633162918 /nfs/dbraw/zinc/16/29/18/633162918.db2.gz KINFSRLECZSOEC-JMSVASOKSA-N 1 0 263.381 3.389 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]CCCSc2nccs2)C[C@H](C)O1 ZINC000823938112 633170840 /nfs/dbraw/zinc/17/08/40/633170840.db2.gz SZVKBTCSDCTYBP-ZSBIGDGJSA-N 1 0 286.466 3.171 20 10 CGCDRO CCCN(Cc1ccncc1F)c1ccc(C[NH3+])cc1 ZINC000824292550 633225789 /nfs/dbraw/zinc/22/57/89/633225789.db2.gz QGOOSKVPLWKEPY-UHFFFAOYSA-N 1 0 273.355 3.096 20 10 CGCDRO CC[C@H](C)[C@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)OC ZINC000824596173 633262778 /nfs/dbraw/zinc/26/27/78/633262778.db2.gz GGYYZLDDICFRFU-LRDDRELGSA-N 1 0 282.403 3.042 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]C[C@@H]2CCOC3(CCC3)C2)c1 ZINC000824751416 633283416 /nfs/dbraw/zinc/28/34/16/633283416.db2.gz WADZOWPABRRUMI-CQSZACIVSA-N 1 0 275.392 3.140 20 10 CGCDRO Cc1cccc(C[N@@H+]2C[C@H](C3CC3)[C@@H]2C2CC2)c1O ZINC000824941583 633309177 /nfs/dbraw/zinc/30/91/77/633309177.db2.gz PUZATDWHCQHUJA-CVEARBPZSA-N 1 0 257.377 3.321 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@H](C3CC3)[C@H]2C2CC2)c1 ZINC000824940719 633309242 /nfs/dbraw/zinc/30/92/42/633309242.db2.gz BEODOEQLPFUDNI-SJLPKXTDSA-N 1 0 287.403 3.411 20 10 CGCDRO COc1cccc(C[NH2+]CCc2cc(C)ccc2F)c1O ZINC000824978731 633314065 /nfs/dbraw/zinc/31/40/65/633314065.db2.gz ZKIWRFUOHAVMPG-UHFFFAOYSA-N 1 0 289.350 3.181 20 10 CGCDRO CO[C@H]([C@@H](C)[NH2+]Cc1cc(Cl)cc(C)c1O)C1CC1 ZINC000825098403 633328264 /nfs/dbraw/zinc/32/82/64/633328264.db2.gz IGAKVPHWCHLEHD-MEBBXXQBSA-N 1 0 283.799 3.257 20 10 CGCDRO CCOc1ccc(C[NH2+][C@H](C)C2CCCC2)c(O)c1 ZINC000825182870 633334389 /nfs/dbraw/zinc/33/43/89/633334389.db2.gz CZLVPFXWZABONU-GFCCVEGCSA-N 1 0 263.381 3.459 20 10 CGCDRO CC[C@]1([NH2+]Cc2cc(Cl)c(C)cc2O)CCOC1 ZINC000825685772 633374596 /nfs/dbraw/zinc/37/45/96/633374596.db2.gz LZBPMOAIFHRENH-AWEZNQCLSA-N 1 0 269.772 3.013 20 10 CGCDRO CO[C@H]1CC[N@H+](Cc2cc(Cl)c(C)cc2O)[C@@H](C)C1 ZINC000825774561 633381551 /nfs/dbraw/zinc/38/15/51/633381551.db2.gz YLMSKEOZJAZVSZ-AAEUAGOBSA-N 1 0 283.799 3.353 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](OC(F)F)C2)cc1Cl ZINC000825804333 633382251 /nfs/dbraw/zinc/38/22/51/633382251.db2.gz ZPOUOPZVCMVEMG-JTQLQIEISA-N 1 0 291.725 3.168 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H](C)c2cc[nH]c(=O)c2)cc1Cl ZINC000826011209 633396398 /nfs/dbraw/zinc/39/63/98/633396398.db2.gz BBYUUTAFDIYZCG-SNVBAGLBSA-N 1 0 292.766 3.305 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H]2C[C@H](C)n3ccnc32)cc1Cl ZINC000826083840 633404236 /nfs/dbraw/zinc/40/42/36/633404236.db2.gz NIZPHPVPKWTWLL-GWCFXTLKSA-N 1 0 291.782 3.346 20 10 CGCDRO CCOc1ccc(C[NH2+]CC2CCC(F)CC2)c(O)c1 ZINC000842775945 633410620 /nfs/dbraw/zinc/41/06/20/633410620.db2.gz UXISXNFPXMJTOF-UHFFFAOYSA-N 1 0 281.371 3.409 20 10 CGCDRO C[C@H](CC(F)(F)F)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000122482122 633421550 /nfs/dbraw/zinc/42/15/50/633421550.db2.gz INTOMKOFRZAAIO-SECBINFHSA-N 1 0 278.293 3.322 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)c1O ZINC000827376882 633487376 /nfs/dbraw/zinc/48/73/76/633487376.db2.gz KIWCTNVVTPXPID-NVXWUHKLSA-N 1 0 289.419 3.482 20 10 CGCDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@H]3C[C@H]3C2)c1O ZINC000827506060 633495278 /nfs/dbraw/zinc/49/52/78/633495278.db2.gz BWDVOVMUPJEBQB-QWRGUYRKSA-N 1 0 296.208 3.305 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+]C[C@H]2CCOC2(C)C)c1O ZINC000827707496 633511349 /nfs/dbraw/zinc/51/13/49/633511349.db2.gz QCXBKIPOQRMYPY-GFCCVEGCSA-N 1 0 283.799 3.259 20 10 CGCDRO C[N@H+](Cc1ccc(N2CCCCC2)cc1)C1(CO)CCC1 ZINC000827903085 633532583 /nfs/dbraw/zinc/53/25/83/633532583.db2.gz AYVSVOYSKBKZPP-UHFFFAOYSA-N 1 0 288.435 3.024 20 10 CGCDRO Cc1cc(C[N@H+](C)Cc2cn[nH]c2)ccc1N1CCCCC1 ZINC000828358518 633608184 /nfs/dbraw/zinc/60/81/84/633608184.db2.gz REEGYPYBUWANMJ-UHFFFAOYSA-N 1 0 298.434 3.340 20 10 CGCDRO COc1cccc(O)c1C[NH2+]CC[C@@]1(C)C[C@@]1(F)Cl ZINC000846032555 636132741 /nfs/dbraw/zinc/13/27/41/636132741.db2.gz FGLSQHZNNISJDB-KBPBESRZSA-N 1 0 287.762 3.195 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2C[C@@H]3CCC[C@H]3O2)c1O ZINC000872106395 634028868 /nfs/dbraw/zinc/02/88/68/634028868.db2.gz GADVGMQLEAITGK-PWNZVWSESA-N 1 0 291.391 3.009 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1)c1ccccc1O ZINC000872109063 634032547 /nfs/dbraw/zinc/03/25/47/634032547.db2.gz GQMNTKGTWUZQDO-HPZZRFSDSA-N 1 0 275.392 3.391 20 10 CGCDRO Cc1cc(C[N@@H+]2CCC[C@@]3(CCOC3)C2)ccc1N(C)C ZINC000832347790 634051584 /nfs/dbraw/zinc/05/15/84/634051584.db2.gz CMAPVURYYFIXOA-GOSISDBHSA-N 1 0 288.435 3.064 20 10 CGCDRO Oc1ccccc1C[N@H+](Cc1cncnc1)C1CCCC1 ZINC000124083464 634145854 /nfs/dbraw/zinc/14/58/54/634145854.db2.gz GEQHCIADFQGQQO-UHFFFAOYSA-N 1 0 283.375 3.127 20 10 CGCDRO C[C@@H](CN1CCC[C@@H](C)C1)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834531259 634176584 /nfs/dbraw/zinc/17/65/84/634176584.db2.gz ULHZXUDYAYGTFY-IJEWVQPXSA-N 1 0 288.435 3.090 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC000834588397 634192163 /nfs/dbraw/zinc/19/21/63/634192163.db2.gz BMSRWNLOXMBBNQ-CJNGLKHVSA-N 1 0 284.407 3.053 20 10 CGCDRO CN1Cc2ccccc2[C@@H]([NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000834693084 634220983 /nfs/dbraw/zinc/22/09/83/634220983.db2.gz KKXATOYGPDRURS-IRXDYDNUSA-N 1 0 294.398 3.156 20 10 CGCDRO CO[C@@H]1[C@H](C)[C@H]([NH2+][C@H]2CCc3cccc(O)c32)C1(C)C ZINC000834701828 634223719 /nfs/dbraw/zinc/22/37/19/634223719.db2.gz HJGVCZBCXLWGLX-WJCKQCIISA-N 1 0 275.392 3.029 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@H](C)Cc2cnccn2)cc1C ZINC000873026067 634233232 /nfs/dbraw/zinc/23/32/32/634233232.db2.gz HTBLGRKKASUHHX-OAHLLOKOSA-N 1 0 299.418 3.295 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]CCC[C@H]1CCCCO1)CC2 ZINC000834766761 634238054 /nfs/dbraw/zinc/23/80/54/634238054.db2.gz YETUXPBHYHGIOD-CABCVRRESA-N 1 0 275.392 3.318 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@H](C)c2cn[nH]c2)cc1C ZINC000873098969 634245901 /nfs/dbraw/zinc/24/59/01/634245901.db2.gz XBYXMGFPZQULOE-CYBMUJFWSA-N 1 0 273.380 3.358 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@@]2(C)CCOC2)cc1C ZINC000873098619 634246543 /nfs/dbraw/zinc/24/65/43/634246543.db2.gz SSCYHXUCUILENE-INIZCTEOSA-N 1 0 263.381 3.052 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@@H]2CCn3ccnc3C2)cc1C ZINC000873109200 634247482 /nfs/dbraw/zinc/24/74/82/634247482.db2.gz HBKHNDLLUOOZDF-MRXNPFEDSA-N 1 0 299.418 3.085 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCn3ccnc32)cc1 ZINC000834835771 634253154 /nfs/dbraw/zinc/25/31/54/634253154.db2.gz JKBOXZIWSPFJKB-XJKSGUPXSA-N 1 0 284.407 3.135 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(Cn2cccn2)c1)C1CC1 ZINC000873137990 634256301 /nfs/dbraw/zinc/25/63/01/634256301.db2.gz MAIDOFLKMLEFNP-QGZVFWFLSA-N 1 0 299.418 3.218 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]CCC[C@@H]2CCOC2)c2c1c(F)ccc2O ZINC000834902588 634278998 /nfs/dbraw/zinc/27/89/98/634278998.db2.gz HIBGRVWFLYNDIG-BZPMIXESSA-N 1 0 293.382 3.486 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H]1CC[C@H](C)O1)c1ccc(N(C)C)cc1 ZINC000834915247 634286329 /nfs/dbraw/zinc/28/63/29/634286329.db2.gz PJQHZBLMQLQCAQ-JQFCIGGWSA-N 1 0 276.424 3.361 20 10 CGCDRO COC(C)(C)C[N@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835028898 634325217 /nfs/dbraw/zinc/32/52/17/634325217.db2.gz LYPBJYAVVMDCQH-FPLPWBNLSA-N 1 0 276.424 3.123 20 10 CGCDRO CN(C)c1ccc(/C=C\C[N@H+](C)C[C@H]2CCCCO2)cc1 ZINC000835029081 634325669 /nfs/dbraw/zinc/32/56/69/634325669.db2.gz UUTXCOQQPMADEP-HPFMTEOYSA-N 1 0 288.435 3.267 20 10 CGCDRO Cc1cncc(C[NH2+]C/C=C\c2ccc(N(C)C)cc2)c1 ZINC000835042701 634330323 /nfs/dbraw/zinc/33/03/23/634330323.db2.gz XBIRNQWLXCFCQA-PLNGDYQASA-N 1 0 281.403 3.259 20 10 CGCDRO CO[C@H](C[NH2+]C/C=C/c1ccc(N(C)C)cc1)C(C)(C)C ZINC000835042046 634330547 /nfs/dbraw/zinc/33/05/47/634330547.db2.gz GOGMYNDWHXBKLS-IWAYRVGRSA-N 1 0 290.451 3.417 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@@H]2CCCS2)cc1 ZINC000835042308 634330606 /nfs/dbraw/zinc/33/06/06/634330606.db2.gz IDTRLGVNCYYHJP-WMHVBEDNSA-N 1 0 276.449 3.251 20 10 CGCDRO CC(C)[N@H+](C/C=C\c1ccc(N(C)C)cc1)[C@@H]1CCOC1 ZINC000835056659 634340345 /nfs/dbraw/zinc/34/03/45/634340345.db2.gz WNXAXMVEZKHLJW-OOFWQKGWSA-N 1 0 288.435 3.265 20 10 CGCDRO COc1ccc(O)c(C[NH2+]CC2(C3CCC3)CCC2)c1 ZINC000835058891 634340459 /nfs/dbraw/zinc/34/04/59/634340459.db2.gz KWPCAMDONAKWHX-UHFFFAOYSA-N 1 0 275.392 3.461 20 10 CGCDRO C[C@H](F)CC[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835057169 634340602 /nfs/dbraw/zinc/34/06/02/634340602.db2.gz YQJHKWYBXNHLNF-ZFDPJTLLSA-N 1 0 250.361 3.104 20 10 CGCDRO COc1ccc(C[N@H+](C)Cc2c(C)cccc2O)cc1F ZINC000876546696 634854758 /nfs/dbraw/zinc/85/47/58/634854758.db2.gz RBUUBFBHGUDWDB-UHFFFAOYSA-N 1 0 289.350 3.480 20 10 CGCDRO COc1cccc(C)c1C[N@H+](C)Cc1ccccc1O ZINC000876615831 634869124 /nfs/dbraw/zinc/86/91/24/634869124.db2.gz MIUSKGJXNPXKBR-UHFFFAOYSA-N 1 0 271.360 3.341 20 10 CGCDRO CCC[N@H+](Cc1ccc(Cl)nn1)Cc1ccccc1O ZINC000876654715 634875305 /nfs/dbraw/zinc/87/53/05/634875305.db2.gz MRSSMSSLOIDYBU-UHFFFAOYSA-N 1 0 291.782 3.248 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H](C)CCc2ccco2)c(O)c1 ZINC000876884498 634920174 /nfs/dbraw/zinc/92/01/74/634920174.db2.gz KCVMIYUPAKVEMX-ZDUSSCGKSA-N 1 0 259.349 3.405 20 10 CGCDRO Cc1ccc(C[NH2+][C@H]2CCN(Cc3ccccc3)C2)c(O)c1 ZINC000876891403 634922615 /nfs/dbraw/zinc/92/26/15/634922615.db2.gz XOBWRPMZBGSVBP-SFHVURJKSA-N 1 0 296.414 3.065 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H]2CCc3ccccc32)c(O)c1 ZINC000876905624 634925897 /nfs/dbraw/zinc/92/58/97/634925897.db2.gz VLHFEXGYYFRMKE-MRXNPFEDSA-N 1 0 253.345 3.478 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]CCCCNc1ccccn1 ZINC000877006767 634947720 /nfs/dbraw/zinc/94/77/20/634947720.db2.gz QJGXKXMDIYWIEY-UHFFFAOYSA-N 1 0 285.391 3.078 20 10 CGCDRO Cc1nc(C)c(CC[NH2+]Cc2ccc(C)cc2O)s1 ZINC000877027663 634954364 /nfs/dbraw/zinc/95/43/64/634954364.db2.gz PYLWGTCUQSOFCM-UHFFFAOYSA-N 1 0 276.405 3.106 20 10 CGCDRO Cc1ccc(C[NH2+]C(C)(C)C(=O)Nc2ccccc2)c(O)c1 ZINC000877027104 634955051 /nfs/dbraw/zinc/95/50/51/634955051.db2.gz KFQGCIGFFSEINT-UHFFFAOYSA-N 1 0 298.386 3.208 20 10 CGCDRO CS[C@@H]1CC[C@H]([NH2+]Cc2ccc(C)cc2O)C1 ZINC000877070573 634971646 /nfs/dbraw/zinc/97/16/46/634971646.db2.gz QJYUVGXXFUWUDS-QWHCGFSZSA-N 1 0 251.395 3.074 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H](C)[C@@H](O)c2cccc(F)c2)c(O)c1 ZINC000877082751 634978337 /nfs/dbraw/zinc/97/83/37/634978337.db2.gz BUIZCBCNZWVCLM-YVEFUNNKSA-N 1 0 289.350 3.051 20 10 CGCDRO Cc1ccc(C[NH2+]C[C@H](c2cccs2)N(C)C)c(O)c1 ZINC000877142976 635000840 /nfs/dbraw/zinc/00/08/40/635000840.db2.gz XVBZVDDXLROBOM-CQSZACIVSA-N 1 0 290.432 3.155 20 10 CGCDRO CCn1ccc(C[N@H+](C)Cc2c(C)cccc2O)c1 ZINC000877472195 635049514 /nfs/dbraw/zinc/04/95/14/635049514.db2.gz MJRIVZBOUCXALH-UHFFFAOYSA-N 1 0 258.365 3.154 20 10 CGCDRO Cc1cccc(O)c1C[N@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000877486344 635056715 /nfs/dbraw/zinc/05/67/15/635056715.db2.gz ICVPISUWLUNPNC-PWSUYJOCSA-N 1 0 273.298 3.473 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)c2ccn(C)n2)c1O ZINC000840815893 635057934 /nfs/dbraw/zinc/05/79/34/635057934.db2.gz QQLAVYFFXPSXKZ-QWRGUYRKSA-N 1 0 293.798 3.499 20 10 CGCDRO COCC[C@@H](C)C[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000840836247 635061082 /nfs/dbraw/zinc/06/10/82/635061082.db2.gz WLVJGKRULQHRPR-GHMZBOCLSA-N 1 0 271.788 3.369 20 10 CGCDRO Cc1ccc(C[NH2+]CCC2C[C@@H](C)O[C@H](C)C2)c(O)c1 ZINC000877504760 635065117 /nfs/dbraw/zinc/06/51/17/635065117.db2.gz KCUQKDZEOKRQSB-ZIAGYGMSSA-N 1 0 277.408 3.384 20 10 CGCDRO CCN(CC)c1ccc(CNc2[nH+]ccn2CC)cc1 ZINC000840886295 635074056 /nfs/dbraw/zinc/07/40/56/635074056.db2.gz AUMMUXQYXRBBQX-UHFFFAOYSA-N 1 0 272.396 3.361 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CC2(O)CCCCC2)c(Cl)c1 ZINC000840886784 635075552 /nfs/dbraw/zinc/07/55/52/635075552.db2.gz CIXNDRALRUDHBK-UHFFFAOYSA-N 1 0 283.799 3.139 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@@H](C)C1CC1 ZINC000840890532 635076662 /nfs/dbraw/zinc/07/66/62/635076662.db2.gz AICSRVMACAZADT-KGLIPLIRSA-N 1 0 260.425 3.380 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H]1C[C@H](C)O[C@@H]1C ZINC000840893504 635077528 /nfs/dbraw/zinc/07/75/28/635077528.db2.gz KCSPNFOYWPDOEL-OIPACUDHSA-N 1 0 290.451 3.148 20 10 CGCDRO COCC1CC[NH+](Cc2c(O)cc(C)cc2Cl)CC1 ZINC000840914257 635078880 /nfs/dbraw/zinc/07/88/80/635078880.db2.gz RWCBPKLUAICRQU-UHFFFAOYSA-N 1 0 283.799 3.212 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H]2C[C@@H](C)N(C3CC3)C2)c(Cl)c1 ZINC000840904277 635079281 /nfs/dbraw/zinc/07/92/81/635079281.db2.gz IJKLUDXMXCIETA-NEPJUHHUSA-N 1 0 294.826 3.069 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cccc(N(C)C)c1 ZINC000840930861 635083728 /nfs/dbraw/zinc/08/37/28/635083728.db2.gz AZYCOAVFPVCNOL-UHFFFAOYSA-N 1 0 297.446 3.417 20 10 CGCDRO CCOc1ncccc1C[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840936251 635085407 /nfs/dbraw/zinc/08/54/07/635085407.db2.gz HPQDUODNGBGWNC-UHFFFAOYSA-N 1 0 299.418 3.145 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000840937737 635085558 /nfs/dbraw/zinc/08/55/58/635085558.db2.gz WEMNJQGXKWWMNQ-OAHLLOKOSA-N 1 0 298.377 3.265 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@H+](C)CCc1ccncc1 ZINC000840940124 635086761 /nfs/dbraw/zinc/08/67/61/635086761.db2.gz VQLMAKKLMCEBNR-UHFFFAOYSA-N 1 0 283.419 3.131 20 10 CGCDRO CO[C@@H]1C[N@H+](Cc2c(O)cc(C)cc2Cl)CC[C@H]1C ZINC000840940126 635087363 /nfs/dbraw/zinc/08/73/63/635087363.db2.gz UWZFFLCAGZHEMN-IAQYHMDHSA-N 1 0 283.799 3.211 20 10 CGCDRO CCC(CC)(CCO)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840943157 635087796 /nfs/dbraw/zinc/08/77/96/635087796.db2.gz GIJIUYLFKWFBGY-UHFFFAOYSA-N 1 0 278.440 3.092 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000840943516 635089343 /nfs/dbraw/zinc/08/93/43/635089343.db2.gz TVUAYOOLLDJGLX-ZWKOTPCHSA-N 1 0 288.435 3.204 20 10 CGCDRO CO[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2C)CC1(C)C ZINC000840951317 635090540 /nfs/dbraw/zinc/09/05/40/635090540.db2.gz WFLHWKVXQIYOPY-QGZVFWFLSA-N 1 0 290.451 3.308 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]CC(C)(C)c1ccccn1 ZINC000877558736 635090823 /nfs/dbraw/zinc/09/08/23/635090823.db2.gz MHAVHYHOEPTRHV-UHFFFAOYSA-N 1 0 270.376 3.163 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C[C@H]2CCC[C@H]2C2CC2)c1 ZINC000840954336 635091830 /nfs/dbraw/zinc/09/18/30/635091830.db2.gz HLBAOLBZMDLQRT-CJNGLKHVSA-N 1 0 275.392 3.317 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]C2CCC(COC)CC2)c1 ZINC000840964135 635095212 /nfs/dbraw/zinc/09/52/12/635095212.db2.gz XYUOESKEMOKEAM-UHFFFAOYSA-N 1 0 293.407 3.086 20 10 CGCDRO CC(C)[C@H]1[N@H+](Cc2ccccc2O)CC12CCOCC2 ZINC000840969788 635097364 /nfs/dbraw/zinc/09/73/64/635097364.db2.gz MVWQBBYGJGLUTB-MRXNPFEDSA-N 1 0 275.392 3.029 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1ccccn1 ZINC000840976749 635098720 /nfs/dbraw/zinc/09/87/20/635098720.db2.gz QQNFOUCIGRWKRY-OAHLLOKOSA-N 1 0 283.419 3.177 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]C[C@@H]1CCSC1 ZINC000840975306 635099427 /nfs/dbraw/zinc/09/94/27/635099427.db2.gz FSNOKBCSDWTOJU-GJZGRUSLSA-N 1 0 292.492 3.335 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1ccns1 ZINC000877592973 635105668 /nfs/dbraw/zinc/10/56/68/635105668.db2.gz XCKADXMLLDSEJL-ZDUSSCGKSA-N 1 0 289.448 3.238 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1ccns1 ZINC000877592971 635106104 /nfs/dbraw/zinc/10/61/04/635106104.db2.gz XCKADXMLLDSEJL-CYBMUJFWSA-N 1 0 289.448 3.238 20 10 CGCDRO Nc1ccc(CC[NH2+][C@@H]2CCC[C@H](C3CC3)C2)cc1 ZINC000841035187 635111155 /nfs/dbraw/zinc/11/11/55/635111155.db2.gz LDOZEVCLNULEGA-DOTOQJQBSA-N 1 0 258.409 3.370 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@@H](N)c2ccccc2)cc1 ZINC000841035416 635111280 /nfs/dbraw/zinc/11/12/80/635111280.db2.gz GXGUMGIXXULZDE-LIXSYLKWSA-N 1 0 295.430 3.055 20 10 CGCDRO C[NH2+]Cc1ccccc1NCc1ccc(N(C)C)cc1C ZINC000841043765 635113505 /nfs/dbraw/zinc/11/35/05/635113505.db2.gz SYFMKLRKXJWFNI-UHFFFAOYSA-N 1 0 283.419 3.393 20 10 CGCDRO C[NH2+]Cc1cccc(NCc2cccc(C)c2O)c1 ZINC000841043836 635113534 /nfs/dbraw/zinc/11/35/34/635113534.db2.gz VVKLZAQZJGJDPO-UHFFFAOYSA-N 1 0 256.349 3.032 20 10 CGCDRO CCOc1cccc(C[NH+]2CCC(SC)CC2)c1O ZINC000877663151 635137753 /nfs/dbraw/zinc/13/77/53/635137753.db2.gz INDYXRCPLYVACB-UHFFFAOYSA-N 1 0 281.421 3.118 20 10 CGCDRO Cc1cccc(C[N@@H+]2CC[C@H](O)C[C@H]2c2ccccc2)c1O ZINC000877672506 635141486 /nfs/dbraw/zinc/14/14/86/635141486.db2.gz GFFLXNOUFMTRFH-ROUUACIJSA-N 1 0 297.398 3.399 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](O)C[C@H]2c2ccccc2)c1 ZINC000877674885 635142198 /nfs/dbraw/zinc/14/21/98/635142198.db2.gz WKEFTADYIZTCKA-MSOLQXFVSA-N 1 0 297.398 3.399 20 10 CGCDRO CC1(C)C[C@@H](O)C[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000877753377 635182486 /nfs/dbraw/zinc/18/24/86/635182486.db2.gz YHZNLIGADCPYML-OAHLLOKOSA-N 1 0 285.387 3.138 20 10 CGCDRO CC[C@@H](C)[C@@H](C[NH2+][C@@H](C)c1ccccc1O)OC ZINC000877758334 635187043 /nfs/dbraw/zinc/18/70/43/635187043.db2.gz TVISGQGDAXGWMA-TYNCELHUSA-N 1 0 251.370 3.104 20 10 CGCDRO C[C@H]([NH2+]Cc1nc(Cl)cs1)c1ccccc1O ZINC000877758411 635187270 /nfs/dbraw/zinc/18/72/70/635187270.db2.gz YZCXUAFKVDXVCY-QMMMGPOBSA-N 1 0 268.769 3.353 20 10 CGCDRO CC(C)N(C)c1ccc(C[NH2+][C@@H](C)c2ccccc2O)cn1 ZINC000877758319 635187539 /nfs/dbraw/zinc/18/75/39/635187539.db2.gz SONMLZZAMJTYSM-AWEZNQCLSA-N 1 0 299.418 3.483 20 10 CGCDRO C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(Cl)cc1[O-] ZINC000841746385 635222726 /nfs/dbraw/zinc/22/27/26/635222726.db2.gz FTKRZXYCUPCLLW-NSHDSACASA-N 1 0 282.815 3.038 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1ccc(Cl)cc1O ZINC000841748185 635223885 /nfs/dbraw/zinc/22/38/85/635223885.db2.gz IHFRHMQYLBBWDF-RNCFNFMXSA-N 1 0 291.782 3.497 20 10 CGCDRO CC(C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841747543 635224025 /nfs/dbraw/zinc/22/40/25/635224025.db2.gz RCFRFBQCUBIBHJ-CMPLNLGQSA-N 1 0 271.788 3.103 20 10 CGCDRO CCN(CC[NH2+][C@@H](C)c1ccc(Cl)cc1O)C1CC1 ZINC000841747405 635224493 /nfs/dbraw/zinc/22/44/93/635224493.db2.gz QFUPSRFEROAVOS-NSHDSACASA-N 1 0 282.815 3.181 20 10 CGCDRO CO[C@H](C[NH2+][C@@H](C)c1ccccc1O)CC(C)C ZINC000841755722 635230256 /nfs/dbraw/zinc/23/02/56/635230256.db2.gz LRITXRVQCJAEPB-STQMWFEESA-N 1 0 251.370 3.104 20 10 CGCDRO C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1[O-] ZINC000841758614 635232088 /nfs/dbraw/zinc/23/20/88/635232088.db2.gz UAEYIYPBZSNBLW-QWHCGFSZSA-N 1 0 296.842 3.428 20 10 CGCDRO Cc1ncccc1OC[C@H]1CCC[N@@H+]1Cc1ccccc1O ZINC000841900039 635250305 /nfs/dbraw/zinc/25/03/05/635250305.db2.gz ZDFFCWDSKQPHOZ-MRXNPFEDSA-N 1 0 298.386 3.139 20 10 CGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@H]1CCO[C@H]1C ZINC000878150426 635379009 /nfs/dbraw/zinc/37/90/09/635379009.db2.gz DCHPKFQNWPQRKZ-UONOGXRCSA-N 1 0 263.381 3.029 20 10 CGCDRO C[C@@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)CC(F)F ZINC000842727147 635451368 /nfs/dbraw/zinc/45/13/68/635451368.db2.gz DJMPDBVKUCPKTH-SNVBAGLBSA-N 1 0 274.330 3.273 20 10 CGCDRO CC[C@H](C)C[C@H](CO)[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000842913112 635510662 /nfs/dbraw/zinc/51/06/62/635510662.db2.gz ABOAYMWHBLUNCY-NILFDRSVSA-N 1 0 279.424 3.457 20 10 CGCDRO CC[C@H](C)C[C@@H](CO)[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000842917622 635512008 /nfs/dbraw/zinc/51/20/08/635512008.db2.gz QRNIRDJFLKHBKI-UBHSHLNASA-N 1 0 265.397 3.148 20 10 CGCDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cc(F)ccc2O)[C@@H]1SC ZINC000842924890 635513261 /nfs/dbraw/zinc/51/32/61/635513261.db2.gz VICOFVKFQKPJIW-FFFUXKDYSA-N 1 0 299.411 3.091 20 10 CGCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1ccc(F)cc1F ZINC000843057745 635553051 /nfs/dbraw/zinc/55/30/51/635553051.db2.gz SUGADJNJPYZUES-UHFFFAOYSA-N 1 0 288.341 3.376 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)c1 ZINC000843416955 635662906 /nfs/dbraw/zinc/66/29/06/635662906.db2.gz MMADHYDVZHUTMD-HOCLYGCPSA-N 1 0 275.392 3.092 20 10 CGCDRO C[C@H]1CC2(C[N@@H+]1Cc1cc(Cl)ccc1O)CCOCC2 ZINC000843432583 635674596 /nfs/dbraw/zinc/67/45/96/635674596.db2.gz ZASRVRIOMPKIEA-LBPRGKRZSA-N 1 0 295.810 3.437 20 10 CGCDRO CC[N@H+](CCSC)Cc1ccc(N(C)C)cc1C ZINC000843437481 635676186 /nfs/dbraw/zinc/67/61/86/635676186.db2.gz GVHRGTXIPDXXJN-UHFFFAOYSA-N 1 0 266.454 3.246 20 10 CGCDRO CCN(CC)[C@H](C)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000127528653 635711136 /nfs/dbraw/zinc/71/11/36/635711136.db2.gz DTCPWIJNCAVHCQ-CABCVRRESA-N 1 0 277.456 3.134 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1)c1ccccc1O ZINC000879650204 635827138 /nfs/dbraw/zinc/82/71/38/635827138.db2.gz PBTXYYXPVZTUCB-NFFDBFGFSA-N 1 0 261.365 3.000 20 10 CGCDRO C[C@@H]([NH2+]Cc1cnc(C(F)(F)F)nc1)c1ccccc1O ZINC000844312790 635866639 /nfs/dbraw/zinc/86/66/39/635866639.db2.gz NSEJDEDAGLTZNA-SECBINFHSA-N 1 0 297.280 3.052 20 10 CGCDRO COc1ccc(N(C)CC[N@H+](C)[C@@H](C)c2cccnc2)cc1 ZINC000844399885 635890268 /nfs/dbraw/zinc/89/02/68/635890268.db2.gz RRQHGEZPEGEVRI-HNNXBMFYSA-N 1 0 299.418 3.219 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+][C@@H]1CNc2ccccc2C1 ZINC000844907680 635981241 /nfs/dbraw/zinc/98/12/41/635981241.db2.gz LSMDVTNLRILATR-LBPRGKRZSA-N 1 0 288.778 3.172 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2ccc(F)nc2)c1 ZINC000930215287 636069361 /nfs/dbraw/zinc/06/93/61/636069361.db2.gz SDXBEAVIVAFNFT-WDEREUQCSA-N 1 0 290.338 3.347 20 10 CGCDRO CCC[C@H](C)[C@H](CO)[NH2+][C@@H](CC)c1ccccc1O ZINC000846012781 636129204 /nfs/dbraw/zinc/12/92/04/636129204.db2.gz DLJNDDZGHXGMOE-QEJZJMRPSA-N 1 0 265.397 3.230 20 10 CGCDRO CC[C@@H]1C[C@@H](C[NH2+]Cc2cc(Cl)ccc2O)CCO1 ZINC000846054794 636139198 /nfs/dbraw/zinc/13/91/98/636139198.db2.gz GDLHRBHDWIFRJP-SMDDNHRTSA-N 1 0 283.799 3.340 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]C2(C3CCC3)CC2)c1 ZINC000846054812 636139935 /nfs/dbraw/zinc/13/99/35/636139935.db2.gz GTGASBTZHXHPRN-UHFFFAOYSA-N 1 0 261.365 3.213 20 10 CGCDRO CCc1cccc(C[NH2+]Cc2cc(F)ccc2O)c1 ZINC000846100644 636142333 /nfs/dbraw/zinc/14/23/33/636142333.db2.gz QSQBJSBILRISIF-UHFFFAOYSA-N 1 0 259.324 3.384 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CC[C@]3(CC3(F)F)C2)c(O)c1 ZINC000846117087 636146647 /nfs/dbraw/zinc/14/66/47/636146647.db2.gz MVIMCNHOYIFAGN-AWEZNQCLSA-N 1 0 283.318 3.022 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]CCc2ccccc2)c1O ZINC000846136925 636148535 /nfs/dbraw/zinc/14/85/35/636148535.db2.gz MAROZLRLHGEPNS-CYBMUJFWSA-N 1 0 271.360 3.294 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@H](C)C(C)C)c1O ZINC000846142720 636149340 /nfs/dbraw/zinc/14/93/40/636149340.db2.gz CCELGESRAGGURE-RYUDHWBXSA-N 1 0 251.370 3.344 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]CC(C)(C)SC)c1O ZINC000846149133 636149687 /nfs/dbraw/zinc/14/96/87/636149687.db2.gz WFYIOZZTTWPZAM-SNVBAGLBSA-N 1 0 269.410 3.193 20 10 CGCDRO CCCC[C@H](COC)[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846148415 636150020 /nfs/dbraw/zinc/15/00/20/636150020.db2.gz YZAWULYLYLKTRL-QWHCGFSZSA-N 1 0 281.396 3.257 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]CCCCOC(C)C)c1O ZINC000846166491 636152141 /nfs/dbraw/zinc/15/21/41/636152141.db2.gz XVLCPLSAFWYIOX-CYBMUJFWSA-N 1 0 281.396 3.257 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2CCCC2(F)F)c1O ZINC000846168143 636152165 /nfs/dbraw/zinc/15/21/65/636152165.db2.gz HCWOEIRGNUUMSX-QWRGUYRKSA-N 1 0 285.334 3.487 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2CCOC(C)(C)C2)c1O ZINC000846168037 636152227 /nfs/dbraw/zinc/15/22/27/636152227.db2.gz GEQFGLJXMHEAQX-QWHCGFSZSA-N 1 0 293.407 3.257 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]CCC(C)(F)F)c1O ZINC000846170169 636152845 /nfs/dbraw/zinc/15/28/45/636152845.db2.gz MBVLJOSTCWNMNM-SECBINFHSA-N 1 0 259.296 3.097 20 10 CGCDRO CC[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cccc(OC)c2O)CCO1 ZINC000846175182 636154012 /nfs/dbraw/zinc/15/40/12/636154012.db2.gz XNZWOGCBSVNOBB-RWMBFGLXSA-N 1 0 279.380 3.009 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2c(C)nsc2C)c1 ZINC000846845061 636258654 /nfs/dbraw/zinc/25/86/54/636258654.db2.gz SNVNMLAEOZNGAL-VIFPVBQESA-N 1 0 292.404 3.325 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@H]1CCCCO1 ZINC000847077117 636330024 /nfs/dbraw/zinc/33/00/24/636330024.db2.gz HIYVBPQPQRVQDO-DLBZAZTESA-N 1 0 276.424 3.190 20 10 CGCDRO COc1cccc(C[N@H+](C2CC2)C2CCCC2)c1O ZINC000130221286 636433087 /nfs/dbraw/zinc/43/30/87/636433087.db2.gz HBGGEVNTAXTJCW-UHFFFAOYSA-N 1 0 261.365 3.308 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H](C)C(=O)OC(C)(C)C)cc1C ZINC000848566448 636609140 /nfs/dbraw/zinc/60/91/40/636609140.db2.gz YEYUUDGCTFYLIC-CYBMUJFWSA-N 1 0 293.407 3.076 20 10 CGCDRO CCOc1ccc(C[NH2+][C@H](CC)[C@H]2CCCCO2)c(O)c1 ZINC000848574421 636612767 /nfs/dbraw/zinc/61/27/67/636612767.db2.gz FDUVITXGONPEHH-NVXWUHKLSA-N 1 0 293.407 3.228 20 10 CGCDRO c1cc(C[NH2+]C[C@H]2CCC3(CCCC3)O2)cc2c1OCC2 ZINC000848576034 636614144 /nfs/dbraw/zinc/61/41/44/636614144.db2.gz FZLARYVFCQQMRI-MRXNPFEDSA-N 1 0 287.403 3.203 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CCC3(CCCC3)O2)cc1 ZINC000848576008 636614300 /nfs/dbraw/zinc/61/43/00/636614300.db2.gz FJSQTMNXAGHZEX-KRWDZBQOSA-N 1 0 288.435 3.334 20 10 CGCDRO CO[C@H]1C[C@H](C[NH2+][C@@H](C)c2cc(Cl)ccc2O)C1 ZINC000883272273 636643005 /nfs/dbraw/zinc/64/30/05/636643005.db2.gz INTQZDARWXWLKN-NHCYSSNCSA-N 1 0 269.772 3.121 20 10 CGCDRO CCc1cccc(C[N@H+](C)Cc2ccc3c(c2)OCO3)c1O ZINC000848880215 636670311 /nfs/dbraw/zinc/67/03/11/636670311.db2.gz LRUJPRJKBTZMOO-UHFFFAOYSA-N 1 0 299.370 3.315 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)c1O ZINC000848882133 636672193 /nfs/dbraw/zinc/67/21/93/636672193.db2.gz LYBLQLIDGBFUGQ-AWEZNQCLSA-N 1 0 285.391 3.057 20 10 CGCDRO CCc1cccc(C[NH2+]Cc2ccc3c(c2)OCCO3)c1O ZINC000848890642 636678194 /nfs/dbraw/zinc/67/81/94/636678194.db2.gz JLWNISNWODMCLJ-UHFFFAOYSA-N 1 0 299.370 3.016 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@H]2Cc3ccccc3O2)c1O ZINC000848893616 636679039 /nfs/dbraw/zinc/67/90/39/636679039.db2.gz YHTGGHRWBXKQCF-MRXNPFEDSA-N 1 0 283.371 3.048 20 10 CGCDRO CCc1cccc(C[NH2+]CCc2ccc3c(c2)CCO3)c1O ZINC000848897972 636680743 /nfs/dbraw/zinc/68/07/43/636680743.db2.gz XPBTWJMLTOYTFA-UHFFFAOYSA-N 1 0 297.398 3.222 20 10 CGCDRO CCc1cccc(C[NH2+]CC(C)(C)[C@H](O)C(C)C)c1O ZINC000848899686 636680817 /nfs/dbraw/zinc/68/08/17/636680817.db2.gz IHNRLOFLKSPDIL-MRXNPFEDSA-N 1 0 279.424 3.087 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H](C)c2cncc(F)c2)c1O ZINC000848902446 636683055 /nfs/dbraw/zinc/68/30/55/636683055.db2.gz NWTLOGFOHMVOCX-NSHDSACASA-N 1 0 274.339 3.340 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@@H](CO)CC2CCCC2)c1O ZINC000848909372 636686541 /nfs/dbraw/zinc/68/65/41/636686541.db2.gz RYFARQQOQTWYNT-HNNXBMFYSA-N 1 0 291.435 3.233 20 10 CGCDRO CCc1noc(C)c1C[NH2+]Cc1cccc(CC)c1O ZINC000848913594 636687283 /nfs/dbraw/zinc/68/72/83/636687283.db2.gz BQMMSRGLUHOLJA-UHFFFAOYSA-N 1 0 274.364 3.103 20 10 CGCDRO CCc1cccc(C[N@@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c1O ZINC000848912874 636687895 /nfs/dbraw/zinc/68/78/95/636687895.db2.gz LEZSKIJSSSTVMM-DOTOQJQBSA-N 1 0 289.419 3.344 20 10 CGCDRO COc1ccc(C[NH2+]C2CCC3(COC3)CC2)cc1C ZINC000883391137 636735246 /nfs/dbraw/zinc/73/52/46/636735246.db2.gz CXFKLIQTDRYOGJ-UHFFFAOYSA-N 1 0 275.392 3.052 20 10 CGCDRO CCOc1cccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)c1O ZINC000131826343 636757451 /nfs/dbraw/zinc/75/74/51/636757451.db2.gz HCIIRBCNXIPLLQ-STQMWFEESA-N 1 0 263.381 3.269 20 10 CGCDRO Cc1cc(C)n(CCC[NH2+]Cc2cc(Cl)ccc2O)n1 ZINC000134225471 637007090 /nfs/dbraw/zinc/00/70/90/637007090.db2.gz HIIBCWNKXQYQKR-UHFFFAOYSA-N 1 0 293.798 3.039 20 10 CGCDRO Cc1cn2c(nc(C)c2C[NH2+]Cc2ccccc2O)s1 ZINC000134236560 637008344 /nfs/dbraw/zinc/00/83/44/637008344.db2.gz ZSIMLBYQHPMVKB-UHFFFAOYSA-N 1 0 287.388 3.008 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+][C@H]3CCC[C@@H]3C)C2)cc1 ZINC000850346513 637022950 /nfs/dbraw/zinc/02/29/50/637022950.db2.gz GPGOMAIHDBMBRC-ZQIUZPCESA-N 1 0 274.408 3.052 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2COC3(CCC3)C2)cc1 ZINC000850367525 637031421 /nfs/dbraw/zinc/03/14/21/637031421.db2.gz MARWMPNUYFWNDN-MRXNPFEDSA-N 1 0 288.435 3.334 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2C[C@@H](O)c3ccccc32)cc1C ZINC000850372753 637036033 /nfs/dbraw/zinc/03/60/33/637036033.db2.gz YJCFOWAVXVAJPE-SJLPKXTDSA-N 1 0 283.371 3.277 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCc3ccc(O)cc32)cc1 ZINC000850385563 637042033 /nfs/dbraw/zinc/04/20/33/637042033.db2.gz AZRNXHHMQYGVNG-SFHVURJKSA-N 1 0 282.387 3.235 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]C2(CC(C)C)CC2)c1 ZINC000850404417 637050860 /nfs/dbraw/zinc/05/08/60/637050860.db2.gz MBVWFLNDUDHBOO-UHFFFAOYSA-N 1 0 263.381 3.459 20 10 CGCDRO C[C@@H](O)[C@@H]([NH2+]Cc1cc(Cl)ccc1O)c1ccccc1 ZINC000850419135 637053978 /nfs/dbraw/zinc/05/39/78/637053978.db2.gz BVOVALDKPSINFT-BDJLRTHQSA-N 1 0 291.778 3.257 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C(C)C)C3CC3)C2)cc1 ZINC000850487160 637087621 /nfs/dbraw/zinc/08/76/21/637087621.db2.gz GUKUTPHKICXKDH-YJBOKZPZSA-N 1 0 288.435 3.298 20 10 CGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)C3CCC3)C2)cc1 ZINC000850487560 637088215 /nfs/dbraw/zinc/08/82/15/637088215.db2.gz IHKZDISTTWJUIB-DZGCQCFKSA-N 1 0 274.408 3.052 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+][C@H]3CCCC3(C)C)C2)cc1 ZINC000850489407 637088518 /nfs/dbraw/zinc/08/85/18/637088518.db2.gz SYVITYSXVZVDBM-YOEHRIQHSA-N 1 0 288.435 3.442 20 10 CGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)c3ccoc3)C2)cc1 ZINC000850490119 637088706 /nfs/dbraw/zinc/08/87/06/637088706.db2.gz ZWDUBPMGBMHZKB-UKRRQHHQSA-N 1 0 286.375 3.218 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+][C@H](C)c3ccoc3)C2)cc1 ZINC000850490116 637088950 /nfs/dbraw/zinc/08/89/50/637088950.db2.gz ZWDUBPMGBMHZKB-HIFRSBDPSA-N 1 0 286.375 3.218 20 10 CGCDRO CC[C@H](COCC1CC1)[NH2+][C@@H](C)c1ccccc1O ZINC000850495296 637090768 /nfs/dbraw/zinc/09/07/68/637090768.db2.gz ZNZZTIKZVMPDHP-GXTWGEPZSA-N 1 0 263.381 3.248 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1C[C@H](C)n2ncnc21)c1ccc(C)cc1O ZINC000850498760 637091434 /nfs/dbraw/zinc/09/14/34/637091434.db2.gz CRANZYVNLVPJPD-FPMFFAJLSA-N 1 0 286.379 3.039 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCc2cnccc2C)c(O)c1 ZINC000850506698 637094467 /nfs/dbraw/zinc/09/44/67/637094467.db2.gz KIGVPVIPISSTNU-AWEZNQCLSA-N 1 0 270.376 3.297 20 10 CGCDRO CCO[C@H]1C[C@H]([NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)C1 ZINC000850513797 637098266 /nfs/dbraw/zinc/09/82/66/637098266.db2.gz JOVUUWUOSNYXMJ-UZWSLXQKSA-N 1 0 279.355 3.237 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+][C@H]2COC3(CCC3)C2)c2c1c(F)ccc2O ZINC000850523575 637102342 /nfs/dbraw/zinc/10/23/42/637102342.db2.gz AXJUSXGKYGOXOE-NQBHXWOUSA-N 1 0 291.366 3.381 20 10 CGCDRO C[C@H]([NH2+]Cc1c(C2CC2)cnn1C)c1ccc(N(C)C)cc1 ZINC000850534251 637110292 /nfs/dbraw/zinc/11/02/92/637110292.db2.gz HVUUZEXDIXEWFV-ZDUSSCGKSA-N 1 0 298.434 3.214 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]Cc2c(C3CC3)cnn2C)c(O)c1C ZINC000850535038 637111630 /nfs/dbraw/zinc/11/16/30/637111630.db2.gz PYHTVMJZDULZGF-ZDUSSCGKSA-N 1 0 299.418 3.471 20 10 CGCDRO C[C@H]([NH2+][C@H]1COc2cc(F)ccc2C1)c1ccccc1O ZINC000850536317 637112620 /nfs/dbraw/zinc/11/26/20/637112620.db2.gz FIBMPJNNMDVCRC-SMDDNHRTSA-N 1 0 287.334 3.186 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]CC[C@@]2(C)CC2(F)F)c1O ZINC000850536912 637112726 /nfs/dbraw/zinc/11/27/26/637112726.db2.gz OXKQOROJKKMAJN-HZMBPMFUSA-N 1 0 285.334 3.487 20 10 CGCDRO C[C@H]([NH2+][C@H]1C[C@@H](O)C12CCC2)c1ccc2ccccc2c1O ZINC000850545142 637116036 /nfs/dbraw/zinc/11/60/36/637116036.db2.gz FDQBMFFSSOYALB-AFAVFJNCSA-N 1 0 297.398 3.500 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]CCC2SCCS2)c1O ZINC000850568634 637128149 /nfs/dbraw/zinc/12/81/49/637128149.db2.gz DCDKEUQAAWQDJC-JTQLQIEISA-N 1 0 299.461 3.248 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2nccn2C)c(O)c1C ZINC000850571800 637128708 /nfs/dbraw/zinc/12/87/08/637128708.db2.gz AZXNAMDIIRGEIP-CHWSQXEVSA-N 1 0 273.380 3.154 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2nccn2C)c(O)c1C ZINC000850571802 637128888 /nfs/dbraw/zinc/12/88/88/637128888.db2.gz AZXNAMDIIRGEIP-QWHCGFSZSA-N 1 0 273.380 3.154 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)c1nccn1C ZINC000850573086 637129918 /nfs/dbraw/zinc/12/99/18/637129918.db2.gz UDPBIOXJEXUZQB-QWHCGFSZSA-N 1 0 299.418 3.416 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)C[C@@H]2C[C@H]3C[C@H]3C2)cc1 ZINC000851720226 637476390 /nfs/dbraw/zinc/47/63/90/637476390.db2.gz DEWWPTXTQPTPOE-MUJYYYPQSA-N 1 0 258.409 3.231 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1CC[C@H](C2CC2)O1)c1ccccc1O ZINC000886310182 637494564 /nfs/dbraw/zinc/49/45/64/637494564.db2.gz GGRPUYJONVOEGV-PVXIVEMSSA-N 1 0 261.365 3.000 20 10 CGCDRO CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2c([O-])cccc2F)C1 ZINC000886522026 637551731 /nfs/dbraw/zinc/55/17/31/637551731.db2.gz AMSJGLUYZCADRC-ZIAGYGMSSA-N 1 0 294.414 3.302 20 10 CGCDRO CCSCCC[NH2+]Cc1cc(Cl)ccc1O ZINC000300934641 637856359 /nfs/dbraw/zinc/85/63/59/637856359.db2.gz MYZFZJWSYICKPG-UHFFFAOYSA-N 1 0 259.802 3.278 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2C[C@@H]3COC[C@]3(C)C2)cc1C(C)C ZINC000853566100 637868257 /nfs/dbraw/zinc/86/82/57/637868257.db2.gz LSQCUVNGKBPIQK-QAPCUYQASA-N 1 0 289.419 3.292 20 10 CGCDRO COc1ccc(N2CC[C@H](Nc3cccc(C)n3)C2)cc1 ZINC000853758607 637911808 /nfs/dbraw/zinc/91/18/08/637911808.db2.gz IFXKSMLWAAVPGI-AWEZNQCLSA-N 1 0 283.375 3.089 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)CCOC)cc1 ZINC000112018460 638026105 /nfs/dbraw/zinc/02/61/05/638026105.db2.gz JOKCNTRUPXTGDZ-CQSZACIVSA-N 1 0 264.413 3.047 20 10 CGCDRO Nc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000854226697 638027198 /nfs/dbraw/zinc/02/71/98/638027198.db2.gz OEFOOEZHHWUQJG-HZPDHXFCSA-N 1 0 280.371 3.239 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H](C)Cc2ccc(O)cc2)c1 ZINC000113335940 638200418 /nfs/dbraw/zinc/20/04/18/638200418.db2.gz KBJNZFOUANRBOV-CYBMUJFWSA-N 1 0 271.360 3.127 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)cc1F ZINC000924861442 638416428 /nfs/dbraw/zinc/41/64/28/638416428.db2.gz JFCFUYRVCVAKHW-AGUYFDCRSA-N 1 0 294.439 3.408 20 10 CGCDRO C[C@H]([NH2+]CCC(C)(C)[NH3+])c1ccc(Cl)c(Cl)c1[O-] ZINC000925739599 638591779 /nfs/dbraw/zinc/59/17/79/638591779.db2.gz ZVPUJCQCIJYJFM-QMMMGPOBSA-N 1 0 291.222 3.477 20 10 CGCDRO CC(C)=CC[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858160004 638640763 /nfs/dbraw/zinc/64/07/63/638640763.db2.gz NCNATJAJJXGHEF-UHFFFAOYSA-N 1 0 254.324 3.087 20 10 CGCDRO C[C@@H]([NH2+]CCCSc1nccs1)[C@H]1CCCCO1 ZINC000858365281 638694199 /nfs/dbraw/zinc/69/41/99/638694199.db2.gz MFKAQPRCXWFVGM-VXGBXAGGSA-N 1 0 286.466 3.173 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]C[C@@H]1Cc3ccccc3CO1)CC2 ZINC000858452815 638723951 /nfs/dbraw/zinc/72/39/51/638723951.db2.gz GHZRSBCVSXOHIO-DLBZAZTESA-N 1 0 295.382 3.111 20 10 CGCDRO CC(=O)N(C)c1ccc(C[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000858495924 638742370 /nfs/dbraw/zinc/74/23/70/638742370.db2.gz KXIDHXHBMIFRJD-CYBMUJFWSA-N 1 0 298.386 3.226 20 10 CGCDRO CCOC(=O)C1=CC[C@@H]([NH2+][C@H](C)c2ccc(C)cc2O)C1 ZINC000858507456 638749007 /nfs/dbraw/zinc/74/90/07/638749007.db2.gz ZKKTUIMUQJICIJ-TZMCWYRMSA-N 1 0 289.375 3.003 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@H](C)c1ncco1 ZINC000926594430 638789414 /nfs/dbraw/zinc/78/94/14/638789414.db2.gz BPTARJZFFRYIPC-ZIAGYGMSSA-N 1 0 287.407 3.331 20 10 CGCDRO C[C@@H]1Cc2cc(C[NH2+][C@@H]3CCc4cccc(O)c43)ccc2O1 ZINC000926921896 638825925 /nfs/dbraw/zinc/82/59/25/638825925.db2.gz WNGUQSAXZNMNAQ-MLGOLLRUSA-N 1 0 295.382 3.493 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1ccccc1O ZINC000926936613 638827335 /nfs/dbraw/zinc/82/73/35/638827335.db2.gz KRHFANYOGGBJRP-FQLMCAECSA-N 1 0 273.376 3.024 20 10 CGCDRO CC[C@H]([NH2+]C[C@@]1(C)CCCCO1)c1ccccc1O ZINC000927017049 638831937 /nfs/dbraw/zinc/83/19/37/638831937.db2.gz IEHBLWCKNVAVJF-GOEBONIOSA-N 1 0 263.381 3.392 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]Cc1cccc3c1OCC3)CC2 ZINC000927091159 638840608 /nfs/dbraw/zinc/84/06/08/638840608.db2.gz WWTYBCONOIANBP-OAHLLOKOSA-N 1 0 281.355 3.104 20 10 CGCDRO CO[C@H]1C[C@@H](C[NH2+][C@@H](C)c2cc(Cl)ccc2O)C1 ZINC000858592688 638999126 /nfs/dbraw/zinc/99/91/26/638999126.db2.gz INTQZDARWXWLKN-JBLDHEPKSA-N 1 0 269.772 3.121 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C(C)(C)[C@@H](O)c2ccccc2)cc1 ZINC000039257908 639662928 /nfs/dbraw/zinc/66/29/28/639662928.db2.gz HVUVUDQGCGELIE-SFHVURJKSA-N 1 0 298.430 3.354 20 10 CGCDRO CCOc1cccc(C[NH+]2CCc3ccccc3CC2)c1O ZINC000156050347 639962272 /nfs/dbraw/zinc/96/22/72/639962272.db2.gz XABZBDHJUFSURZ-UHFFFAOYSA-N 1 0 297.398 3.392 20 10 CGCDRO COc1cc(C[N@H+](C)Cc2ccc(F)cc2)c(O)cc1C ZINC000159488133 640049286 /nfs/dbraw/zinc/04/92/86/640049286.db2.gz VMEWWMCNFLSSEU-UHFFFAOYSA-N 1 0 289.350 3.480 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CC[C@@H](C)[C@H](C)C2)c1O ZINC000159974530 640081787 /nfs/dbraw/zinc/08/17/87/640081787.db2.gz OVADWWSZWBYGRF-CHWSQXEVSA-N 1 0 263.381 3.187 20 10 CGCDRO Cc1ccc(O)c(C[N@H+]2CCC[C@@]2(CO)CC(C)C)c1 ZINC000188039768 640116035 /nfs/dbraw/zinc/11/60/35/640116035.db2.gz RKCDHQZPRTURGF-KRWDZBQOSA-N 1 0 277.408 3.074 20 10 CGCDRO COc1cnccc1[C@H](C)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000188776720 640152602 /nfs/dbraw/zinc/15/26/02/640152602.db2.gz NKYHRPOQFCNEEA-WDEREUQCSA-N 1 0 290.338 3.347 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CC(C)(C)C[C@@H]2C)c1 ZINC000193135594 640435417 /nfs/dbraw/zinc/43/54/17/640435417.db2.gz LNILQBORKOGKQX-SMDDNHRTSA-N 1 0 263.381 3.315 20 10 CGCDRO CSC1(C[NH2+]Cc2cc(Cl)ccc2O)CCC1 ZINC000193647304 640481730 /nfs/dbraw/zinc/48/17/30/640481730.db2.gz RHYKGGXYIHLQIR-UHFFFAOYSA-N 1 0 271.813 3.421 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000245617311 640628944 /nfs/dbraw/zinc/62/89/44/640628944.db2.gz VPPSTVIWRQJBCT-HLPPOEQASA-N 1 0 276.424 3.359 20 10 CGCDRO CC[C@H]1C[N@H+](Cc2cc(C)cc(C)c2O)C[C@@H](C)O1 ZINC000247000843 640705559 /nfs/dbraw/zinc/70/55/59/640705559.db2.gz UEINJLHJZPKGHU-HIFRSBDPSA-N 1 0 263.381 3.008 20 10 CGCDRO CC[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000091919362 640725799 /nfs/dbraw/zinc/72/57/99/640725799.db2.gz JJQDILBJXQKNQJ-MRXNPFEDSA-N 1 0 288.435 3.145 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)c(O)c1 ZINC000248489852 640762976 /nfs/dbraw/zinc/76/29/76/640762976.db2.gz HOKSUTALOUACJE-CRWXNKLISA-N 1 0 263.381 3.307 20 10 CGCDRO Cc1cccc(C[NH2+][C@H](C)c2cc(F)ccc2O)n1 ZINC000094618062 640800339 /nfs/dbraw/zinc/80/03/39/640800339.db2.gz NGPDUNUDNSCAFP-LLVKDONJSA-N 1 0 260.312 3.086 20 10 CGCDRO CC[C@@H](CCO)[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000305117009 640882685 /nfs/dbraw/zinc/88/26/85/640882685.db2.gz IHXXJKCPJBCWBA-RDJZCZTQSA-N 1 0 290.451 3.489 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000113318459 640974726 /nfs/dbraw/zinc/97/47/26/640974726.db2.gz KKUNHSUOKLAYIY-OAHLLOKOSA-N 1 0 295.741 3.008 20 10 CGCDRO Cc1ccc(CC[NH2+]Cc2c(O)cccc2Cl)cn1 ZINC000113341155 640976982 /nfs/dbraw/zinc/97/69/82/640976982.db2.gz ZCAZRGGRJWLURK-UHFFFAOYSA-N 1 0 276.767 3.081 20 10 CGCDRO CC[N@H+](Cc1ccccc1O)C[C@@](C)(O)c1ccccc1 ZINC001253103495 806168060 /nfs/dbraw/zinc/16/80/60/806168060.db2.gz DRGCVNGHCCXBIY-GOSISDBHSA-N 1 0 285.387 3.122 20 10 CGCDRO Cc1cccc(CNc2ncc(C)c(NCC3CC3)n2)c1O ZINC001160765201 806300777 /nfs/dbraw/zinc/30/07/77/806300777.db2.gz WOBBSVOROFDKPD-UHFFFAOYSA-N 1 0 298.390 3.233 20 10 CGCDRO C[C@H]([NH2+][C@H](Cn1ccnc1)C(C)(C)C)c1ccccc1O ZINC000037156702 798862592 /nfs/dbraw/zinc/86/25/92/798862592.db2.gz HLPUOFYOCTXAPG-XJKSGUPXSA-N 1 0 287.407 3.354 20 10 CGCDRO CC[N@H+](Cc1ccc(N2CCCCC2)cc1)CC(C)(C)O ZINC000093436879 798964125 /nfs/dbraw/zinc/96/41/25/798964125.db2.gz DHFZTYPDNLVKPO-UHFFFAOYSA-N 1 0 290.451 3.270 20 10 CGCDRO COc1cc(C)cc(C[N@H+](C)Cc2ccccc2)c1O ZINC000125111845 798999795 /nfs/dbraw/zinc/99/97/95/798999795.db2.gz QSZBMKHAFWJUQE-UHFFFAOYSA-N 1 0 271.360 3.341 20 10 CGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H](C)CN(C)C(C)C ZINC000315371367 799236548 /nfs/dbraw/zinc/23/65/48/799236548.db2.gz RAMVGXHQBYTNAA-CQSZACIVSA-N 1 0 287.451 3.305 20 10 CGCDRO Cc1cc(C[NH2+]Cc2ccnn2C)c(C)n1-c1ccccc1 ZINC000316004824 799239965 /nfs/dbraw/zinc/23/99/65/799239965.db2.gz FBFZMTORAPZYBP-UHFFFAOYSA-N 1 0 294.402 3.117 20 10 CGCDRO C[C@H]([NH2+]Cc1cc(Cl)ccc1O)[C@H]1CCCCO1 ZINC000379184709 799347990 /nfs/dbraw/zinc/34/79/90/799347990.db2.gz QRCNIZKTWMJWHM-IINYFYTJSA-N 1 0 269.772 3.093 20 10 CGCDRO CC1(C)C[N@H+](Cc2c(O)ccc3ccccc32)[C@@H]2COC[C@@H]21 ZINC000384812560 799418512 /nfs/dbraw/zinc/41/85/12/799418512.db2.gz DOZARBUACKGYGV-DLBZAZTESA-N 1 0 297.398 3.402 20 10 CGCDRO Oc1ccccc1C[NH2+]Cc1cccc(O)c1Cl ZINC000385517068 799426653 /nfs/dbraw/zinc/42/66/53/799426653.db2.gz BRHVWWPJECWSLU-UHFFFAOYSA-N 1 0 263.724 3.041 20 10 CGCDRO CC1(C)C[N@H+](Cc2c(O)cccc2Cl)CCCO1 ZINC000386634189 799438366 /nfs/dbraw/zinc/43/83/66/799438366.db2.gz QFQMIINVFDTUPC-UHFFFAOYSA-N 1 0 269.772 3.047 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]CCCOc1ccccc1)CC2 ZINC000386807657 799440216 /nfs/dbraw/zinc/44/02/16/799440216.db2.gz ONDAGGWEDNAGEO-MRXNPFEDSA-N 1 0 283.371 3.438 20 10 CGCDRO CO[C@@H]([C@H](C)[NH2+][C@H](C)c1ccc(N(C)C)cc1)C1CC1 ZINC000388293701 799452092 /nfs/dbraw/zinc/45/20/92/799452092.db2.gz YEKGTZKZCYGPTA-IGCXYCKISA-N 1 0 276.424 3.217 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2O)[C@@H]1C ZINC000390530713 799472271 /nfs/dbraw/zinc/47/22/71/799472271.db2.gz IJOSRHCZJDQDND-KBVBSXBZSA-N 1 0 284.197 3.289 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@@H]1CCCC1(F)F)CC2 ZINC000390855367 799475193 /nfs/dbraw/zinc/47/51/93/799475193.db2.gz JIGWAXBXBBRTDE-RYUDHWBXSA-N 1 0 267.319 3.405 20 10 CGCDRO Cc1cc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)ccn1 ZINC000391145963 799476555 /nfs/dbraw/zinc/47/65/55/799476555.db2.gz LCADADVYHRPXGK-CQSZACIVSA-N 1 0 269.392 3.307 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(N(CC)CC)cc1)C(C)(C)O ZINC000394003626 799493651 /nfs/dbraw/zinc/49/36/51/799493651.db2.gz JVGWCAWCOPOGLF-INIZCTEOSA-N 1 0 278.440 3.172 20 10 CGCDRO CC[C@H](C)[C@H](C[NH2+][C@H](C)c1cc(C)ccc1O)OC ZINC000394453433 799497099 /nfs/dbraw/zinc/49/70/99/799497099.db2.gz PYNORHKELXKNCJ-ZENOOKHLSA-N 1 0 265.397 3.412 20 10 CGCDRO COc1ccc(C[NH2+]C(C)(C)COC(C)C)cc1C ZINC000396340994 799508273 /nfs/dbraw/zinc/50/82/73/799508273.db2.gz NGTKTGXZZUTGQM-UHFFFAOYSA-N 1 0 265.397 3.297 20 10 CGCDRO CC[C@H]1C[NH+](Cc2cc(C)ccc2O)C[C@H](CC)O1 ZINC000398779717 799533443 /nfs/dbraw/zinc/53/34/43/799533443.db2.gz LPRCRFDUKZVVCE-GJZGRUSLSA-N 1 0 263.381 3.090 20 10 CGCDRO CCOc1cccc(C[N@@H+]2C[C@@H](C)C[C@H]2CC)c1O ZINC000399608844 799539658 /nfs/dbraw/zinc/53/96/58/799539658.db2.gz PZOSTCGGDBSRMK-GXTWGEPZSA-N 1 0 263.381 3.411 20 10 CGCDRO COC(C)(C)C[N@H+](C)Cc1c(O)ccc2ccccc21 ZINC000404225578 799574835 /nfs/dbraw/zinc/57/48/35/799574835.db2.gz BUZPLXCSBUHHAP-UHFFFAOYSA-N 1 0 273.376 3.402 20 10 CGCDRO CC(C)O[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000404505620 799577426 /nfs/dbraw/zinc/57/74/26/799577426.db2.gz BGELRWJSQXOGQY-CQSZACIVSA-N 1 0 283.799 3.435 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H]1CCN1C(C)(C)C)c1ccccc1O ZINC000690377601 799775402 /nfs/dbraw/zinc/77/54/02/799775402.db2.gz UZXVZJKFJNFPDB-UKRRQHHQSA-N 1 0 276.424 3.306 20 10 CGCDRO C[C@H]1CC[C@@H]([NH2+]Cc2ccc(Br)cc2O)C1 ZINC000691425237 799783368 /nfs/dbraw/zinc/78/33/68/799783368.db2.gz DFYSRRPJEMTOFW-JOYOIKCWSA-N 1 0 284.197 3.433 20 10 CGCDRO CCc1cccc(C[NH2+]C(C)(C)c2nccs2)c1O ZINC000691444053 799783503 /nfs/dbraw/zinc/78/35/03/799783503.db2.gz IIQPKJULWBVWNO-UHFFFAOYSA-N 1 0 276.405 3.436 20 10 CGCDRO CC(C)(C)[NH2+]Cc1ccc(Br)cc1O ZINC000691393473 799783760 /nfs/dbraw/zinc/78/37/60/799783760.db2.gz SXEXQKQOLPTWNJ-UHFFFAOYSA-N 1 0 258.159 3.043 20 10 CGCDRO CCC(CC)[NH2+]Cc1ccc(Br)cc1O ZINC000691394664 799784345 /nfs/dbraw/zinc/78/43/45/799784345.db2.gz HCYQIQDJMYPPOU-UHFFFAOYSA-N 1 0 272.186 3.433 20 10 CGCDRO CCc1cccc(C[NH2+]Cc2cnc(C)cc2C)c1O ZINC000691479589 799785745 /nfs/dbraw/zinc/78/57/45/799785745.db2.gz GOWDWCUETUOBBL-UHFFFAOYSA-N 1 0 270.376 3.256 20 10 CGCDRO CO[C@H](C[NH2+][C@@H](C)c1ccc(N(C)C)cc1)C1CCC1 ZINC000692868284 799802220 /nfs/dbraw/zinc/80/22/20/799802220.db2.gz NZYYQCYKFWCBLU-SUMWQHHRSA-N 1 0 276.424 3.218 20 10 CGCDRO COc1cccc(C[N@@H+]2CCC[C@H](C(C)C)C2)c1O ZINC000694455539 799822007 /nfs/dbraw/zinc/82/20/07/799822007.db2.gz VLPXGELOGJKMIT-ZDUSSCGKSA-N 1 0 263.381 3.269 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2c(O)cccc2Cl)C[C@H](C)O1 ZINC000694871202 799824513 /nfs/dbraw/zinc/82/45/13/799824513.db2.gz PAFYOPLLJXCWCE-MNOVXSKESA-N 1 0 269.772 3.045 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(Cl)o2)c1 ZINC000698169933 799852940 /nfs/dbraw/zinc/85/29/40/799852940.db2.gz ZPCKYOQYXVJROQ-UHFFFAOYSA-N 1 0 251.713 3.237 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2cscn2)c1 ZINC000700444505 799871669 /nfs/dbraw/zinc/87/16/69/799871669.db2.gz RXXLTCDITVIKSI-UWVGGRQHSA-N 1 0 278.377 3.269 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]CC[C@H]2CC2(F)F)c1O ZINC000701937456 799899952 /nfs/dbraw/zinc/89/99/52/799899952.db2.gz GHYMQBAQJFXPLG-VIFPVBQESA-N 1 0 291.725 3.189 20 10 CGCDRO CCC[C@@H](C[NH2+]Cc1ccc(N(C)C)cc1)OCC ZINC000705310809 799946534 /nfs/dbraw/zinc/94/65/34/799946534.db2.gz BBMWTGXKGFYRBH-INIZCTEOSA-N 1 0 264.413 3.047 20 10 CGCDRO CCC[C@H](C[NH2+]Cc1ccc(OC)c(C)c1)OCC ZINC000707852251 799980354 /nfs/dbraw/zinc/98/03/54/799980354.db2.gz FPESCWJRVNFSDC-OAHLLOKOSA-N 1 0 265.397 3.298 20 10 CGCDRO CCC[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000708479815 799989784 /nfs/dbraw/zinc/98/97/84/799989784.db2.gz AGXPWLCZGROYDE-GFCCVEGCSA-N 1 0 277.364 3.133 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2C[C@@H]3CCCC[C@H]23)c(O)c1 ZINC000712403135 800086151 /nfs/dbraw/zinc/08/61/51/800086151.db2.gz LRQFAYKOGIIZEH-TUKIKUTGSA-N 1 0 261.365 3.069 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]CC[C@@H]2CCCS2)c1 ZINC000715611383 800141494 /nfs/dbraw/zinc/14/14/94/800141494.db2.gz NTVOUALEHWELLB-ZDUSSCGKSA-N 1 0 251.395 3.076 20 10 CGCDRO Cc1cccc(C[NH2+]C[C@H]2CCN2Cc2ccccc2)c1O ZINC000716226638 800166164 /nfs/dbraw/zinc/16/61/64/800166164.db2.gz GISIHYAAMJRROT-GOSISDBHSA-N 1 0 296.414 3.065 20 10 CGCDRO C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000716530127 800175197 /nfs/dbraw/zinc/17/51/97/800175197.db2.gz IITVXZPYFDESPN-MEYUZBJRSA-N 1 0 257.377 3.003 20 10 CGCDRO CCOc1cccc(C[NH2+]Cc2cnc(Cl)s2)c1O ZINC000718189856 800213540 /nfs/dbraw/zinc/21/35/40/800213540.db2.gz OHYWONJQQFLXIE-UHFFFAOYSA-N 1 0 298.795 3.191 20 10 CGCDRO COCC(C)(C)CC[NH2+][C@H](C)c1cc(F)ccc1O ZINC000718795806 800224085 /nfs/dbraw/zinc/22/40/85/800224085.db2.gz SIITUMDOXGBLRS-LLVKDONJSA-N 1 0 269.360 3.245 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]Cc1nc2c(s1)CCCC2 ZINC000719539054 800242183 /nfs/dbraw/zinc/24/21/83/800242183.db2.gz IXJLWMCRMHHRLO-UHFFFAOYSA-N 1 0 292.379 3.156 20 10 CGCDRO COC(C)(C)[C@@H](C)[NH2+][C@H](C)c1cc(C)ccc1O ZINC000720200173 800254131 /nfs/dbraw/zinc/25/41/31/800254131.db2.gz BJBLUIGDEGRSDV-VXGBXAGGSA-N 1 0 251.370 3.165 20 10 CGCDRO CCOc1cccc(C[NH2+]C2(C)CC(F)(F)C2)c1O ZINC000720990528 800275645 /nfs/dbraw/zinc/27/56/45/800275645.db2.gz SVKLJGXLAVLTPS-UHFFFAOYSA-N 1 0 271.307 3.068 20 10 CGCDRO CCO[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N(C)C)cc2)C1 ZINC000721182147 800278891 /nfs/dbraw/zinc/27/88/91/800278891.db2.gz ARUCMFPNHOIDHW-DOTOQJQBSA-N 1 0 276.424 3.190 20 10 CGCDRO C[C@H]([NH2+][C@H](C1CC1)[C@@H]1CCCOC1)c1ccccc1O ZINC000724010948 800352966 /nfs/dbraw/zinc/35/29/66/800352966.db2.gz PXNOVNWSMRVHAG-DXCKQFNASA-N 1 0 275.392 3.248 20 10 CGCDRO COc1cccc(C[NH2+]C[C@@]2(C)CC2(Cl)Cl)c1O ZINC000824766581 800471779 /nfs/dbraw/zinc/47/17/79/800471779.db2.gz VUXOQRQUOMAXTB-GFCCVEGCSA-N 1 0 290.190 3.074 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCC[C@H](C)O2)c(Cl)c1 ZINC000850379418 800517843 /nfs/dbraw/zinc/51/78/43/800517843.db2.gz OEEYPMKYEKNGLM-RYUDHWBXSA-N 1 0 283.799 3.401 20 10 CGCDRO CNc1ccccc1NCc1cccc(C[NH+](C)C)c1 ZINC001163999436 806871629 /nfs/dbraw/zinc/87/16/29/806871629.db2.gz WQRVDHKYPIHXMZ-UHFFFAOYSA-N 1 0 269.392 3.402 20 10 CGCDRO CC[N@H+](Cc1ccccc1O)[C@@H](C)Cc1ccncc1 ZINC001256751531 806972476 /nfs/dbraw/zinc/97/24/76/806972476.db2.gz YQMXUXFUASRVBY-AWEZNQCLSA-N 1 0 270.376 3.240 20 10 CGCDRO C/C=C\C[C@H](CO)[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC001116629677 802388100 /nfs/dbraw/zinc/38/81/00/802388100.db2.gz PKKQEATXBWPHCU-YNLGZWBXSA-N 1 0 275.392 3.166 20 10 CGCDRO c1cc2c(cc1C[NH2+][C@@H]1CCOC13CCCC3)CCCO2 ZINC001119987155 802720646 /nfs/dbraw/zinc/72/06/46/802720646.db2.gz LFLQRWCRBNBMJP-QGZVFWFLSA-N 1 0 287.403 3.203 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CCCN(C2CCCC2)C1)c1ccccc1O ZINC001256901443 807001987 /nfs/dbraw/zinc/00/19/87/807001987.db2.gz HLBJCTDFHNSWDX-CABCVRRESA-N 1 0 288.435 3.450 20 10 CGCDRO CCC[N@H+](Cc1cccc(OCC)c1O)C1CCOCC1 ZINC001203615017 812406508 /nfs/dbraw/zinc/40/65/08/812406508.db2.gz KSEIKLFCDSNFEN-UHFFFAOYSA-N 1 0 293.407 3.182 20 10 CGCDRO C(=C/C1CC[NH2+]CC1)\c1ccc(N2CCSCC2)cc1 ZINC001243896684 803065898 /nfs/dbraw/zinc/06/58/98/803065898.db2.gz NXMZPNXACSBCEB-OWOJBTEDSA-N 1 0 288.460 3.253 20 10 CGCDRO CCCC[NH+]1CCC(N(C)Cc2c(O)cccc2F)CC1 ZINC001137841862 803782848 /nfs/dbraw/zinc/78/28/48/803782848.db2.gz YCAQEQBAMCCPQX-UHFFFAOYSA-N 1 0 294.414 3.228 20 10 CGCDRO Cc1c(C[N@@H+]2CC[C@](C)(O)[C@H](C)C2)c2ccccc2n1C ZINC001138252470 803879149 /nfs/dbraw/zinc/87/91/49/803879149.db2.gz IBGQEUQJNHGZJC-ACJLOTCBSA-N 1 0 286.419 3.080 20 10 CGCDRO Cc1c(C[N@@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)c2ccccc2n1C ZINC001138253709 803881657 /nfs/dbraw/zinc/88/16/57/803881657.db2.gz DFULKMPVRYBICJ-NOLJZWGESA-N 1 0 272.367 3.277 20 10 CGCDRO CO[C@H]1CC[N@H+](Cc2c3ccccc3n(C)c2C)[C@H](C)C1 ZINC001138260752 803887640 /nfs/dbraw/zinc/88/76/40/803887640.db2.gz RDLGEFOALUJIML-HIFRSBDPSA-N 1 0 286.419 3.486 20 10 CGCDRO CN1CCCc2cc(C[N@@H+]3CCCC3(C)C)ccc21 ZINC001138354387 803900894 /nfs/dbraw/zinc/90/08/94/803900894.db2.gz HRFVRAXFFNTHKE-UHFFFAOYSA-N 1 0 258.409 3.443 20 10 CGCDRO CCO[C@@H]1CCC[N@H+](Cc2ccc3c(c2)CCCN3C)C1 ZINC001138357791 803902278 /nfs/dbraw/zinc/90/22/78/803902278.db2.gz KMUMLZKFPNDJJO-QGZVFWFLSA-N 1 0 288.435 3.070 20 10 CGCDRO Cc1cc(C[N@@H+]2CCC[C@H]2c2cnccn2)ccc1N(C)C ZINC001139673603 804247220 /nfs/dbraw/zinc/24/72/20/804247220.db2.gz VVKGDDBNYOGNBP-SFHVURJKSA-N 1 0 296.418 3.188 20 10 CGCDRO Cc1cc(C[N@@H+]2CC[C@H]3CCCO[C@@H]3C2)ccc1N(C)C ZINC001139671753 804248200 /nfs/dbraw/zinc/24/82/00/804248200.db2.gz ZHCSILIJDSYIDI-SJLPKXTDSA-N 1 0 288.435 3.062 20 10 CGCDRO CC1CC([N@H+](C)Cc2c(O)cccc2Br)C1 ZINC001140098834 804378017 /nfs/dbraw/zinc/37/80/17/804378017.db2.gz OCDNXRJMJGCWDJ-UHFFFAOYSA-N 1 0 284.197 3.385 20 10 CGCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@H](Oc3ccccn3)C2)c1O ZINC001140183675 804396537 /nfs/dbraw/zinc/39/65/37/804396537.db2.gz FWNJMVUUJDGCCH-HNNXBMFYSA-N 1 0 298.386 3.057 20 10 CGCDRO CO[C@H]1CC[N@H+](Cc2c(C)ccc(C)c2O)[C@@H](C)C1 ZINC001140184673 804398679 /nfs/dbraw/zinc/39/86/79/804398679.db2.gz DPZIOOBSGZKELS-KBPBESRZSA-N 1 0 263.381 3.008 20 10 CGCDRO Cc1ccc(C)c(C[N@H+](C)C[C@@H]2Cc3ccccc3O2)c1O ZINC001140185941 804398960 /nfs/dbraw/zinc/39/89/60/804398960.db2.gz UUIDFNVMFIDXEC-INIZCTEOSA-N 1 0 297.398 3.445 20 10 CGCDRO Oc1cccc2[nH]cc(C[N@@H+]3CCc4cccc(O)c4C3)c21 ZINC001140234990 804403038 /nfs/dbraw/zinc/40/30/38/804403038.db2.gz NGBUWJRLQTYYDV-UHFFFAOYSA-N 1 0 294.354 3.137 20 10 CGCDRO CSC1CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001140466658 804444154 /nfs/dbraw/zinc/44/41/54/804444154.db2.gz JYODCDFGDHRXQQ-UHFFFAOYSA-N 1 0 271.813 3.373 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H]2Cc2ccccn2)c1 ZINC001140620948 804476232 /nfs/dbraw/zinc/47/62/32/804476232.db2.gz JHNHEMAKXVGBEI-QGZVFWFLSA-N 1 0 282.387 3.303 20 10 CGCDRO Cc1c(O)ccc(C[N@@H+]2CCCC[C@@](C)(F)C2)c1O ZINC001140744343 804502637 /nfs/dbraw/zinc/50/26/37/804502637.db2.gz ULNHSPHAEYYOFY-OAHLLOKOSA-N 1 0 267.344 3.120 20 10 CGCDRO Cc1c(O)ccc(C[N@@H+]2CCC3(CCCC3)C2)c1O ZINC001140745779 804503116 /nfs/dbraw/zinc/50/31/16/804503116.db2.gz NIJCTPIMLGJGPE-UHFFFAOYSA-N 1 0 261.365 3.172 20 10 CGCDRO Cc1ccc(C[N@H+]2CCN(C)C[C@H]2c2ccccc2)c(O)c1 ZINC001140948348 804556602 /nfs/dbraw/zinc/55/66/02/804556602.db2.gz GBGJQQKRDACQOR-SFHVURJKSA-N 1 0 296.414 3.189 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](C)[C@@H]2C)c(OC)c1 ZINC001141028203 804575680 /nfs/dbraw/zinc/57/56/80/804575680.db2.gz FUWZJNUALPNFFK-NEPJUHHUSA-N 1 0 279.380 3.030 20 10 CGCDRO C[C@@H]1CCC[N@H+](Cc2ccc3c(c2)OCCN3C)[C@H]1C ZINC001141142829 804596768 /nfs/dbraw/zinc/59/67/68/804596768.db2.gz BYUPMMYIJMEKPQ-KGLIPLIRSA-N 1 0 274.408 3.136 20 10 CGCDRO CN1CCOc2cc(C[N@@H+]3CC[C@@H]4CCC[C@@H]4C3)ccc21 ZINC001141142091 804596828 /nfs/dbraw/zinc/59/68/28/804596828.db2.gz FEPXHYBJMYVELK-JKSUJKDBSA-N 1 0 286.419 3.137 20 10 CGCDRO CC(C)[C@H]1CCC[N@@H+]1Cc1ccc2c(c1)OCCN2C ZINC001141145631 804597908 /nfs/dbraw/zinc/59/79/08/804597908.db2.gz XCWLOQFGOVAKMK-OAHLLOKOSA-N 1 0 274.408 3.136 20 10 CGCDRO CN1CCOc2cc(C[NH+]3CC4(C3)CCCCC4)ccc21 ZINC001141145087 804598066 /nfs/dbraw/zinc/59/80/66/804598066.db2.gz POOYAMUEBAAVSX-UHFFFAOYSA-N 1 0 286.419 3.281 20 10 CGCDRO Oc1ccc(O)c(C[N@@H+]2CCC[C@H]2c2cccs2)c1 ZINC001141158663 804599832 /nfs/dbraw/zinc/59/98/32/804599832.db2.gz ITAGFRVVXJDIGB-ZDUSSCGKSA-N 1 0 275.373 3.496 20 10 CGCDRO Oc1ccc(O)c(C[N@@H+]2CCC[C@@H](c3ccccc3)C2)c1 ZINC001141158669 804600561 /nfs/dbraw/zinc/60/05/61/804600561.db2.gz IXYIWPXMOSFJJU-OAHLLOKOSA-N 1 0 283.371 3.477 20 10 CGCDRO CCN(Cc1cc(O)ccc1O)Cc1cccc(F)c1F ZINC001141162608 804601341 /nfs/dbraw/zinc/60/13/41/804601341.db2.gz XAQKBVUJFLSMRA-UHFFFAOYSA-N 1 0 293.313 3.398 20 10 CGCDRO C[N@H+](Cc1cccc(-n2ccnc2)c1)Cc1ccccc1O ZINC001141244997 804624280 /nfs/dbraw/zinc/62/42/80/804624280.db2.gz ZXNOLJAYHVCFCK-UHFFFAOYSA-N 1 0 293.370 3.210 20 10 CGCDRO CC[N@H+](Cc1ccccn1)Cc1cc(F)c(F)cc1[O-] ZINC001142525013 804731580 /nfs/dbraw/zinc/73/15/80/804731580.db2.gz TUJJQHXSWVVZIZ-UHFFFAOYSA-N 1 0 278.302 3.088 20 10 CGCDRO C[C@H]1CC[C@H](CO)C[N@@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001143104001 804801876 /nfs/dbraw/zinc/80/18/76/804801876.db2.gz NZEDGZZFIRCCCV-KBPBESRZSA-N 1 0 291.435 3.283 20 10 CGCDRO CC(C)(C)c1cccc(C[N@@H+]2CCOC[C@@H]2C2CC2)c1O ZINC001143111989 804803722 /nfs/dbraw/zinc/80/37/22/804803722.db2.gz IPXBIPVHEOMFQQ-MRXNPFEDSA-N 1 0 289.419 3.301 20 10 CGCDRO CC(C)(C)c1cccc(C[NH+]2CC3(CSC3)C2)c1O ZINC001143117098 804805640 /nfs/dbraw/zinc/80/56/40/804805640.db2.gz SJZBYCISXACKHN-UHFFFAOYSA-N 1 0 277.433 3.239 20 10 CGCDRO C[C@H]1C[N@H+](Cc2cc(Cl)c(C(C)(C)C)cc2O)C[C@H]1O ZINC001248881142 805029539 /nfs/dbraw/zinc/02/95/39/805029539.db2.gz RGVABSUWLPMRGD-ZUZCIYMTSA-N 1 0 297.826 3.156 20 10 CGCDRO CCCCCC[C@H](C)[NH2+]CCc1cc(O)c(O)cc1O ZINC001257363755 807126555 /nfs/dbraw/zinc/12/65/55/807126555.db2.gz YYYBKQHSSMOQNO-LBPRGKRZSA-N 1 0 281.396 3.294 20 10 CGCDRO CCn1cc(C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3C)cn1 ZINC001257437898 807156148 /nfs/dbraw/zinc/15/61/48/807156148.db2.gz PVYUWBXUDQMSNU-GXTWGEPZSA-N 1 0 285.391 3.255 20 10 CGCDRO COc1ccc(N2CC[NH+]([C@@H](C)CC3CC3)CC2)c(C)c1 ZINC001258471377 807470184 /nfs/dbraw/zinc/47/01/84/807470184.db2.gz ZSIJJBXRCRGLCE-HNNXBMFYSA-N 1 0 288.435 3.314 20 10 CGCDRO COc1ccc(N2CC[NH+]([C@H](C)CC3CC3)CC2)c(C)c1 ZINC001258471378 807470216 /nfs/dbraw/zinc/47/02/16/807470216.db2.gz ZSIJJBXRCRGLCE-OAHLLOKOSA-N 1 0 288.435 3.314 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]CCc2cc(O)c(O)cc2O)CC(C)(C)C1 ZINC001258687568 807543809 /nfs/dbraw/zinc/54/38/09/807543809.db2.gz RBZGOTHCHNSWHR-YPMHNXCESA-N 1 0 293.407 3.150 20 10 CGCDRO CC(C)CC(CC(C)C)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001258829633 807644841 /nfs/dbraw/zinc/64/48/41/807644841.db2.gz CBBJVYWYMNCSRA-QGZVFWFLSA-N 1 0 295.423 3.182 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2Cc3cccc(F)c3C2)cc1C ZINC001171783495 808139114 /nfs/dbraw/zinc/13/91/14/808139114.db2.gz SCDYVKKSIGPKEK-HNNXBMFYSA-N 1 0 285.362 3.400 20 10 CGCDRO Oc1cc2ccccc2cc1C[NH2+]C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172237584 808206450 /nfs/dbraw/zinc/20/64/50/808206450.db2.gz VOUAXWOIJIGBKO-ALOPSCKCSA-N 1 0 281.355 3.121 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCc2ncsc2C1)c1ccccc1O ZINC001173123528 808519041 /nfs/dbraw/zinc/51/90/41/808519041.db2.gz GBTXQMOBCGIEIH-QWRGUYRKSA-N 1 0 274.389 3.057 20 10 CGCDRO Cc1c(C[N@H+]2CCCC3(CN(C)C3)C2)c2ccccc2n1C ZINC001276556924 809016276 /nfs/dbraw/zinc/01/62/76/809016276.db2.gz TVBYZECWJPWNAR-UHFFFAOYSA-N 1 0 297.446 3.014 20 10 CGCDRO CCCn1nc(C)c(C[NH2+]Cc2ccc3c(c2)CCO3)c1C ZINC001177586776 809810709 /nfs/dbraw/zinc/81/07/09/809810709.db2.gz JXJRJQHMMXDRCS-UHFFFAOYSA-N 1 0 299.418 3.135 20 10 CGCDRO CC(C)c1ccc(O)c(C[N@H+](CCO)C2CCCC2)c1 ZINC001180488112 810005949 /nfs/dbraw/zinc/00/59/49/810005949.db2.gz CZGHWNRWJWOCRP-UHFFFAOYSA-N 1 0 277.408 3.253 20 10 CGCDRO COCC1(C[NH2+]Cc2cc(C(C)C)ccc2O)CCC1 ZINC001181176246 810042043 /nfs/dbraw/zinc/04/20/43/810042043.db2.gz ZSXMJRXMSNDTKY-UHFFFAOYSA-N 1 0 277.408 3.422 20 10 CGCDRO Oc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC001181741668 810069519 /nfs/dbraw/zinc/06/95/19/810069519.db2.gz TZDIIDRAVWPZKI-UKRRQHHQSA-N 1 0 281.783 3.189 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+][C@@H]2[C@H](C)O[C@H](C)[C@H]2C)c1 ZINC001183311400 810144363 /nfs/dbraw/zinc/14/43/63/810144363.db2.gz CDSWWCPUXYBGEP-FJZAXULXSA-N 1 0 277.408 3.417 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC001183371725 810147366 /nfs/dbraw/zinc/14/73/66/810147366.db2.gz SAJDFVQTJBGYQO-HZPDHXFCSA-N 1 0 290.476 3.246 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CC[C@H](O)C1CCCC1 ZINC001183428792 810148517 /nfs/dbraw/zinc/14/85/17/810148517.db2.gz LAWYKOFKPIGSEY-SFHVURJKSA-N 1 0 290.451 3.092 20 10 CGCDRO Cc1cc(C[C@H](C)[NH2+]Cc2ccc(N3CCCC3)cc2)[nH]n1 ZINC001201441459 811847155 /nfs/dbraw/zinc/84/71/55/811847155.db2.gz BECBYFQYONWVPJ-AWEZNQCLSA-N 1 0 298.434 3.039 20 10 CGCDRO C[C@@H]1CC([NH2+]Cc2ccc(N3CCCC3)cc2)C[C@@H](C)O1 ZINC001201842656 811971311 /nfs/dbraw/zinc/97/13/11/811971311.db2.gz NXKSWUQMJRFUAF-HUUCEWRRSA-N 1 0 288.435 3.332 20 10 CGCDRO CCOC[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1O)C2 ZINC001203551952 812390968 /nfs/dbraw/zinc/39/09/68/812390968.db2.gz URWORYSPQFZVGV-WBVHZDCISA-N 1 0 275.392 3.031 20 10 CGCDRO COc1cccc(C[N@@H+]2CCC[C@](C)(F)CC2)c1O ZINC001203584871 812400367 /nfs/dbraw/zinc/40/03/67/812400367.db2.gz JDHVEMQDKNVVBE-HNNXBMFYSA-N 1 0 267.344 3.115 20 10 CGCDRO COc1cccc(C[N@@H+]2CCC[C@H]2Cc2ccccn2)c1O ZINC001203595552 812404047 /nfs/dbraw/zinc/40/40/47/812404047.db2.gz IJFBFCHDGPQQTM-INIZCTEOSA-N 1 0 298.386 3.003 20 10 CGCDRO CC1(C)C[N@H+](Cc2cc(Cl)ccc2O)[C@](C)(CO)C1 ZINC001203651867 812414974 /nfs/dbraw/zinc/41/49/74/812414974.db2.gz YOTQNAKAPKDMNE-HNNXBMFYSA-N 1 0 283.799 3.029 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@H+]1C[C@H]2[C@H](CC2(F)F)C1 ZINC001203651160 812416160 /nfs/dbraw/zinc/41/61/60/812416160.db2.gz JPUMPWBPCSEECS-KOLCDFICSA-N 1 0 273.710 3.133 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH+]1CCC2(CCCO2)CC1 ZINC001203658136 812418444 /nfs/dbraw/zinc/41/84/44/812418444.db2.gz RELFBXAMCJVKGZ-UHFFFAOYSA-N 1 0 281.783 3.191 20 10 CGCDRO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(O)c(O)c2)cc1 ZINC001203879714 812478999 /nfs/dbraw/zinc/47/89/99/812478999.db2.gz ZAZDIDKTHVMKHN-MRXNPFEDSA-N 1 0 299.370 3.444 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](C(F)F)C2)cc1 ZINC001203933655 812496594 /nfs/dbraw/zinc/49/65/94/812496594.db2.gz DIKRFERPMKIUGX-ZDUSSCGKSA-N 1 0 268.351 3.230 20 10 CGCDRO COc1cc(C[N@H+](C)CC2CCCCC2)cc(O)c1O ZINC001204344763 812615719 /nfs/dbraw/zinc/61/57/19/812615719.db2.gz CQNLKWMPRRGDDT-UHFFFAOYSA-N 1 0 279.380 3.119 20 10 CGCDRO COc1cc(C[NH+]2CCC(C(C)(C)C)CC2)cc(O)c1O ZINC001204343482 812616505 /nfs/dbraw/zinc/61/65/05/812616505.db2.gz RNNVXGCVDFHJQC-UHFFFAOYSA-N 1 0 293.407 3.365 20 10 CGCDRO COc1cc(C[NH+]2CCCCCCCC2)cc(O)c1O ZINC001204348667 812618261 /nfs/dbraw/zinc/61/82/61/812618261.db2.gz HQIWOIIYDQFZMB-UHFFFAOYSA-N 1 0 279.380 3.263 20 10 CGCDRO Cc1ccc(C)c(N2CC[NH+](Cc3ccc(N)cc3)CC2)c1 ZINC001204621996 812692757 /nfs/dbraw/zinc/69/27/57/812692757.db2.gz VHJQRTRXMSBXKN-UHFFFAOYSA-N 1 0 295.430 3.208 20 10 CGCDRO CN(C)c1ccc(CN2CCCC[C@@H]2C[NH3+])c2ccccc21 ZINC001204925301 812777918 /nfs/dbraw/zinc/77/79/18/812777918.db2.gz PRVOPXTUNFXGLL-MRXNPFEDSA-N 1 0 297.446 3.219 20 10 CGCDRO C[C@@H]1CC[C@H](CN)[N@H+](Cc2ccc(C(C)(C)C)cc2O)C1 ZINC001205841834 813104153 /nfs/dbraw/zinc/10/41/53/813104153.db2.gz LJAOBMZBDSQMAA-CZUORRHYSA-N 1 0 290.451 3.249 20 10 CGCDRO CC[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2C)C[C@H](CC)O1 ZINC001206351669 813299477 /nfs/dbraw/zinc/29/94/77/813299477.db2.gz WGAZNLXOLBNSLT-HDICACEKSA-N 1 0 290.451 3.450 20 10 CGCDRO CC[N@H+](CCc1cccc(OC)c1)Cc1ccccc1O ZINC001207433843 813565706 /nfs/dbraw/zinc/56/57/06/813565706.db2.gz ZGSJUIDORSALGO-UHFFFAOYSA-N 1 0 285.387 3.465 20 10 CGCDRO Oc1cccc2c1C[N@H+](CCc1ccc(F)cc1)CC2 ZINC001207516724 813583452 /nfs/dbraw/zinc/58/34/52/813583452.db2.gz HQZXGGMQHHAMTB-UHFFFAOYSA-N 1 0 271.335 3.132 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)CC2(C)CCOCC2)cc1 ZINC001208078354 813688971 /nfs/dbraw/zinc/68/89/71/813688971.db2.gz NGIYOTOTCCOOST-UHFFFAOYSA-N 1 0 276.424 3.001 20 10 CGCDRO CC[N@@H+](Cc1ccccc1O)CC1C[C@@H](C)O[C@H](C)C1 ZINC001209399030 814014852 /nfs/dbraw/zinc/01/48/52/814014852.db2.gz RQQWDKRNRSDLDD-ZIAGYGMSSA-N 1 0 277.408 3.418 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(CN(C)CCC[NH+](C)C)cc1 ZINC001209519445 814073057 /nfs/dbraw/zinc/07/30/57/814073057.db2.gz URYJTRQPHSMAIQ-UHFFFAOYSA-N 1 0 299.462 3.478 20 10 CGCDRO Cn1ccc2c1cccc2-c1cnn(C2CC[NH+](C)CC2)c1 ZINC001242729467 823114834 /nfs/dbraw/zinc/11/48/34/823114834.db2.gz XHVKLLSFPBYDMN-UHFFFAOYSA-N 1 0 294.402 3.309 20 10 CGCDRO Cc1ccc(C)c(CN2CC[NH2+]C[C@@H]2c2ccccc2)c1O ZINC001210215381 814344807 /nfs/dbraw/zinc/34/48/07/814344807.db2.gz HOBYYZGNNDJTRC-GOSISDBHSA-N 1 0 296.414 3.156 20 10 CGCDRO COc1c[nH+]ccc1Nc1cc(Cl)c(Cl)cc1O ZINC001211263431 814865011 /nfs/dbraw/zinc/86/50/11/814865011.db2.gz QYVBOMTVRTUVDW-UHFFFAOYSA-N 1 0 285.130 3.268 20 10 CGCDRO C[C@@H]1CC[C@@H](C)[C@H](Oc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001218291553 816153917 /nfs/dbraw/zinc/15/39/17/816153917.db2.gz OYIHCFRIGCAKQM-IIDMSEBBSA-N 1 0 288.435 3.300 20 10 CGCDRO Cc1cc(Cl)cc(CN2CCC[C@]23CCC[NH2+]C3)c1O ZINC001222259522 816388943 /nfs/dbraw/zinc/38/89/43/816388943.db2.gz RUJSINHUISTXSA-INIZCTEOSA-N 1 0 294.826 3.072 20 10 CGCDRO CC(C)(C)c1cccc(CN2CCC[C@@]3(CC[NH2+]3)C2)c1O ZINC001222282970 816395156 /nfs/dbraw/zinc/39/51/56/816395156.db2.gz RUJKNNPPTIWCAX-GOSISDBHSA-N 1 0 288.435 3.018 20 10 CGCDRO Oc1ccc2ccccc2c1CN1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001222435863 816444769 /nfs/dbraw/zinc/44/47/69/816444769.db2.gz UDLZLCHQHFGTOC-LJQANCHMSA-N 1 0 296.414 3.263 20 10 CGCDRO Oc1c(CN2CC[C@@]3(C2)CCCC[NH2+]3)ccc2ccccc21 ZINC001222434947 816444929 /nfs/dbraw/zinc/44/49/29/816444929.db2.gz LSOQRRBFPKXVIS-LJQANCHMSA-N 1 0 296.414 3.263 20 10 CGCDRO Cc1cccc(O[C@H]2CC[N@H+](Cc3cccc(C)c3O)C2)n1 ZINC001231594440 818131939 /nfs/dbraw/zinc/13/19/39/818131939.db2.gz FDPGXZRKPBHZFG-INIZCTEOSA-N 1 0 298.386 3.057 20 10 CGCDRO Cc1cccc(C[N@H+]2CCC(=O)[C@@H](C)C23CCCC3)c1O ZINC001231595490 818133528 /nfs/dbraw/zinc/13/35/28/818133528.db2.gz WUUABMXWZAHDPB-CQSZACIVSA-N 1 0 287.403 3.424 20 10 CGCDRO COc1cc(C[N@@H+]2CCC23CCCCC3)c(O)cc1O ZINC001231633665 818144494 /nfs/dbraw/zinc/14/44/94/818144494.db2.gz RUIXIXMVYIAWEP-UHFFFAOYSA-N 1 0 277.364 3.015 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)Cc2cc3cc[nH]c3cn2)cc1 ZINC001231673720 818156803 /nfs/dbraw/zinc/15/68/03/818156803.db2.gz UYJPYRQOZAMYJV-UHFFFAOYSA-N 1 0 294.402 3.261 20 10 CGCDRO Cc1cc(C)c(C[N@@H+]2CCC(F)(F)[C@H](C)C2)c(O)c1 ZINC001231842187 818186246 /nfs/dbraw/zinc/18/62/46/818186246.db2.gz KPKCYLSZXBBKHE-GFCCVEGCSA-N 1 0 269.335 3.486 20 10 CGCDRO Cc1cc(C)c(C[N@@H+]2CCCC[C@H](F)C2)c(O)c1 ZINC001231842561 818186564 /nfs/dbraw/zinc/18/65/64/818186564.db2.gz OEPUEEHFNQMFNS-ZDUSSCGKSA-N 1 0 251.345 3.333 20 10 CGCDRO Cc1cc(C)c(C[N@@H+]2CCC[C@@H](C(F)F)C2)c(O)c1 ZINC001231846068 818186918 /nfs/dbraw/zinc/18/69/18/818186918.db2.gz FDVGXAKVHGOSPF-GFCCVEGCSA-N 1 0 269.335 3.486 20 10 CGCDRO CCC[N@@H+](Cc1ccc(N(C)C)cc1OC)CC1CC1 ZINC001231847649 818187875 /nfs/dbraw/zinc/18/78/75/818187875.db2.gz AXLHCKQNYOQDOB-UHFFFAOYSA-N 1 0 276.424 3.383 20 10 CGCDRO CCC(CC)[N@H+](C)Cc1ccc(N(C)C)cc1OC ZINC001231855447 818189501 /nfs/dbraw/zinc/18/95/01/818189501.db2.gz UVVNXLLFIUWHQZ-UHFFFAOYSA-N 1 0 264.413 3.382 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@](C)(CO)CC2)cc1Cl ZINC001231867432 818191277 /nfs/dbraw/zinc/19/12/77/818191277.db2.gz KBXCXNINYOJKCN-MRXNPFEDSA-N 1 0 297.826 3.339 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H]3C[C@@H]32)cc1Cl ZINC001231870361 818194499 /nfs/dbraw/zinc/19/44/99/818194499.db2.gz VWBJVEUNFYOMHM-MFKMUULPSA-N 1 0 251.757 3.338 20 10 CGCDRO CCC[N@H+](CCOC)Cc1ccc2ccccc2c1O ZINC001231878978 818197114 /nfs/dbraw/zinc/19/71/14/818197114.db2.gz XLOZBAHZWTZYSC-UHFFFAOYSA-N 1 0 273.376 3.404 20 10 CGCDRO CN(Cc1ccccc1O)Cc1nc(Cl)ccc1F ZINC001232163074 818269528 /nfs/dbraw/zinc/26/95/28/818269528.db2.gz XUJNTFLKTACGGR-UHFFFAOYSA-N 1 0 280.730 3.212 20 10 CGCDRO CC[C@H]1CCC[N@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232262738 818298287 /nfs/dbraw/zinc/29/82/87/818298287.db2.gz ODKSJRSNMPDNCC-JTQLQIEISA-N 1 0 269.772 3.373 20 10 CGCDRO COc1cc(O)c(C[NH+]2C3CCC2CC3)cc1Cl ZINC001232270020 818300502 /nfs/dbraw/zinc/30/05/02/818300502.db2.gz PQVXIJFJWGYNJD-UHFFFAOYSA-N 1 0 267.756 3.181 20 10 CGCDRO CC[C@H](C)[N@H+](C)Cc1cc(Cl)c(OC)cc1O ZINC001232268979 818300787 /nfs/dbraw/zinc/30/07/87/818300787.db2.gz XSVIQDJESCALES-VIFPVBQESA-N 1 0 257.761 3.285 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccccc2)c(O)c1 ZINC001232833588 818452151 /nfs/dbraw/zinc/45/21/51/818452151.db2.gz AZUHZEYTDYAKPO-UHFFFAOYSA-N 1 0 270.376 3.090 20 10 CGCDRO CCC[N@H+](Cc1ccc(N(C)C)cc1O)[C@@H](C)CC ZINC001232835089 818452580 /nfs/dbraw/zinc/45/25/80/818452580.db2.gz VLPZUKJEVOGXBA-ZDUSSCGKSA-N 1 0 264.413 3.469 20 10 CGCDRO CN(C)c1ccc(C[NH+]2CC3(C2)CCCCC3)c(O)c1 ZINC001232840228 818453225 /nfs/dbraw/zinc/45/32/25/818453225.db2.gz QAXXRKNZAJTFJU-UHFFFAOYSA-N 1 0 274.408 3.224 20 10 CGCDRO CN(C)c1ccc(C[NH+]2CCc3ccccc3CC2)c(O)c1 ZINC001232838778 818453735 /nfs/dbraw/zinc/45/37/35/818453735.db2.gz JITLOMSYYIMMEC-UHFFFAOYSA-N 1 0 296.414 3.059 20 10 CGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cc(C)c[nH]c1=O ZINC001233199209 818538547 /nfs/dbraw/zinc/53/85/47/818538547.db2.gz YHSNWMKWLMDTOC-UHFFFAOYSA-N 1 0 299.418 3.184 20 10 CGCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CCC[C@H](O)CC2)c1 ZINC001233283919 818566254 /nfs/dbraw/zinc/56/62/54/818566254.db2.gz AXSOGLORQBNCTC-HNNXBMFYSA-N 1 0 277.408 3.037 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2cc(C(C)(C)C)ccc2O)C[C@@H]1F ZINC001233284025 818566364 /nfs/dbraw/zinc/56/63/64/818566364.db2.gz FBDLTUPDKHLNOW-RISCZKNCSA-N 1 0 265.372 3.480 20 10 CGCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)c1 ZINC001233286699 818568017 /nfs/dbraw/zinc/56/80/17/818568017.db2.gz FWVZNCFKVWDKLG-ZFWWWQNUSA-N 1 0 289.419 3.158 20 10 CGCDRO Cc1cnsc1C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC001233321885 818579613 /nfs/dbraw/zinc/57/96/13/818579613.db2.gz IRYNCXQAHUXPBV-UHFFFAOYSA-N 1 0 275.421 3.150 20 10 CGCDRO Cc1ncccc1CN(C)Cc1c(O)ccc(F)c1F ZINC001233336064 818587723 /nfs/dbraw/zinc/58/77/23/818587723.db2.gz XHOZXWRWOLTQSA-UHFFFAOYSA-N 1 0 278.302 3.006 20 10 CGCDRO Oc1cc(O)c(C[N@@H+]2CC[C@@H](C3CCCCC3)C2)cc1O ZINC001233486573 818624999 /nfs/dbraw/zinc/62/49/99/818624999.db2.gz SNVNOQIGQUVWCU-CYBMUJFWSA-N 1 0 291.391 3.206 20 10 CGCDRO CC(C)(C)c1ccc(C[N@@H+]2CCCC[C@](C)(O)C2)c(O)c1 ZINC001235676351 819137016 /nfs/dbraw/zinc/13/70/16/819137016.db2.gz QVUSFPVYVVIDAV-SFHVURJKSA-N 1 0 291.435 3.427 20 10 CGCDRO CC[C@@]12C[C@@H](CO1)[N@H+](Cc1ccc(C(C)(C)C)cc1O)C2 ZINC001235677622 819138502 /nfs/dbraw/zinc/13/85/02/819138502.db2.gz GDSRGWZOYSFHFD-YJBOKZPZSA-N 1 0 289.419 3.443 20 10 CGCDRO Cc1c(CN2CC[NH2+][C@@H](CC(C)C)C2)c2ccccc2n1C ZINC001235881830 819194418 /nfs/dbraw/zinc/19/44/18/819194418.db2.gz QRCKAKDEINOQQS-INIZCTEOSA-N 1 0 299.462 3.307 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(CN2C[C@@H]([NH3+])CC[C@H]2C)cc1 ZINC001235891363 819200656 /nfs/dbraw/zinc/20/06/56/819200656.db2.gz GADQHWNVGGSGAW-KDOFPFPSSA-N 1 0 297.446 3.406 20 10 CGCDRO Cc1cc(CN2C[C@H]3CC[C@@]3([NH3+])C2)c(C)n1-c1ccccc1 ZINC001235977496 819255930 /nfs/dbraw/zinc/25/59/30/819255930.db2.gz GURNGWFCTWPCQL-IEBWSBKVSA-N 1 0 295.430 3.017 20 10 CGCDRO CCN(CC[NH2+]C)Cc1cc(C)n(-c2ccccc2)c1C ZINC001236143490 819343636 /nfs/dbraw/zinc/34/36/36/819343636.db2.gz KSOODRDCYCTWMH-UHFFFAOYSA-N 1 0 285.435 3.135 20 10 CGCDRO CCC1([NH3+])CN(Cc2cc(C)n(-c3ccccc3)c2C)C1 ZINC001236185216 819359493 /nfs/dbraw/zinc/35/94/93/819359493.db2.gz BGGSQEYXEULWDC-UHFFFAOYSA-N 1 0 283.419 3.017 20 10 CGCDRO CCN(CC)c1ccc(CN(C)[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC001236210476 819372503 /nfs/dbraw/zinc/37/25/03/819372503.db2.gz COSCRFBILVXSII-ROUUACIJSA-N 1 0 289.467 3.235 20 10 CGCDRO Cc1cc(Cl)cc(CN(C)[C@@H]2CCCC[C@@H]2[NH3+])c1O ZINC001236212891 819374451 /nfs/dbraw/zinc/37/44/51/819374451.db2.gz AIDAMCXWINRQBP-UONOGXRCSA-N 1 0 282.815 3.056 20 10 CGCDRO C[NH2+]C[C@H]1CCCN1Cc1cc(C)n(-c2ccccc2)c1C ZINC001236417924 819463385 /nfs/dbraw/zinc/46/33/85/819463385.db2.gz WQSKHIZHXBZDGD-LJQANCHMSA-N 1 0 297.446 3.278 20 10 CGCDRO CC(C)N(Cc1cc(Cl)ccc1O)[C@@H]1CCC[NH2+]C1 ZINC001236470027 819490896 /nfs/dbraw/zinc/49/08/96/819490896.db2.gz ZNXHSBDYJFUMRD-CQSZACIVSA-N 1 0 282.815 3.008 20 10 CGCDRO Oc1cccc(F)c1CN([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236650766 819561966 /nfs/dbraw/zinc/56/19/66/819561966.db2.gz FDLYDRGVFYHQGY-CQSZACIVSA-N 1 0 292.398 3.028 20 10 CGCDRO CCc1ccc(C[N@@H+]2CC[C@]3(C2)CCCCO3)c(O)c1 ZINC001236786958 819595259 /nfs/dbraw/zinc/59/52/59/819595259.db2.gz SWPSKLHMEGLRDD-KRWDZBQOSA-N 1 0 275.392 3.100 20 10 CGCDRO C[N@H+](Cc1cc(Cl)c(Cl)cc1[O-])CC1(C)COC1 ZINC001236795354 819597264 /nfs/dbraw/zinc/59/72/64/819597264.db2.gz DTYHHNPHKOTZSE-UHFFFAOYSA-N 1 0 290.190 3.167 20 10 CGCDRO CCc1ccc(C[N@@H+]2CC[C@H](Oc3ccccn3)C2)c(O)c1 ZINC001236793401 819598026 /nfs/dbraw/zinc/59/80/26/819598026.db2.gz VYRXYMATHUTABU-INIZCTEOSA-N 1 0 298.386 3.003 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CCC[C@@](C)(F)CC2)c(O)c1 ZINC001236808073 819601868 /nfs/dbraw/zinc/60/18/68/819601868.db2.gz LPARLCSWKOQNGL-MRXNPFEDSA-N 1 0 281.371 3.423 20 10 CGCDRO COc1cc(C)c(C[N@H+](C)C[C@@H]2CC2(C)C)c(O)c1 ZINC001236812104 819603797 /nfs/dbraw/zinc/60/37/97/819603797.db2.gz ZKXFCDXXLNZULW-LBPRGKRZSA-N 1 0 263.381 3.187 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CCc3ccsc3C2)c(O)c1 ZINC001236814177 819604096 /nfs/dbraw/zinc/60/40/96/819604096.db2.gz QBTDYLIVPQMTAY-UHFFFAOYSA-N 1 0 289.400 3.329 20 10 CGCDRO COCC[C@H]1CCCC[N@@H+]1Cc1c(C)cc(OC)cc1O ZINC001236812344 819604161 /nfs/dbraw/zinc/60/41/61/819604161.db2.gz COFDNNPKJASFPR-CQSZACIVSA-N 1 0 293.407 3.100 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CCC[C@@H](C)[C@H]2C)c(O)c1 ZINC001236813364 819604202 /nfs/dbraw/zinc/60/42/02/819604202.db2.gz JCWZFLKCRVVCKE-DGCLKSJQSA-N 1 0 263.381 3.330 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CCc3sccc3C2)c(O)c1 ZINC001236809611 819604769 /nfs/dbraw/zinc/60/47/69/819604769.db2.gz YLQQAIKEQDGSBK-UHFFFAOYSA-N 1 0 289.400 3.329 20 10 CGCDRO COc1cc(C)c(C[N@H+](CC2CC2)C2CC2)c(O)c1 ZINC001236817680 819605442 /nfs/dbraw/zinc/60/54/42/819605442.db2.gz FWMZIRPXUQQNAA-UHFFFAOYSA-N 1 0 261.365 3.084 20 10 CGCDRO C[C@@]1(O)CCCC[N@H+](Cc2cc3ccccc3cc2O)C1 ZINC001236827559 819609166 /nfs/dbraw/zinc/60/91/66/819609166.db2.gz VDJITTNJRMVRKB-GOSISDBHSA-N 1 0 285.387 3.282 20 10 CGCDRO C[C@H]1CC[C@@H](CO)C[N@@H+]1Cc1cc2ccccc2cc1O ZINC001236827661 819609751 /nfs/dbraw/zinc/60/97/51/819609751.db2.gz VOSBXCFFJUJLFI-UONOGXRCSA-N 1 0 285.387 3.138 20 10 CGCDRO CN1C[C@H]2CCC[N@H+](Cc3cc4ccccc4cc3O)[C@H]2C1 ZINC001236833168 819613289 /nfs/dbraw/zinc/61/32/89/819613289.db2.gz PDXBOYOGDWLDRE-AEFFLSMTSA-N 1 0 296.414 3.071 20 10 CGCDRO COCC1CC[NH+](Cc2cc3ccccc3cc2O)CC1 ZINC001236841230 819618456 /nfs/dbraw/zinc/61/84/56/819618456.db2.gz WUYNBXAOLUEXEC-UHFFFAOYSA-N 1 0 285.387 3.404 20 10 CGCDRO C[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236921412 819636345 /nfs/dbraw/zinc/63/63/45/819636345.db2.gz GELHSSIUEMBWFO-ZDUSSCGKSA-N 1 0 294.826 3.018 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CCc3cccc(O)c3C2)c(O)c1 ZINC001237045899 819649944 /nfs/dbraw/zinc/64/99/44/819649944.db2.gz KGGZDZHHSAKOCJ-UHFFFAOYSA-N 1 0 299.370 3.055 20 10 CGCDRO Oc1ccc(F)c(Cl)c1C[N@@H+]1CC[C@@H]2CCCO[C@@H]2C1 ZINC001237124948 819672817 /nfs/dbraw/zinc/67/28/17/819672817.db2.gz SWMBDEHYLXSBRO-IINYFYTJSA-N 1 0 299.773 3.186 20 10 CGCDRO Oc1c(C[N@@H+]2CCNC3=CCCC[C@H]32)ccc2ccccc21 ZINC001237225762 819705583 /nfs/dbraw/zinc/70/55/83/819705583.db2.gz QWKIUMFSCSQOJC-GOSISDBHSA-N 1 0 294.398 3.387 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCC(=O)[C@H]2CCCC[C@@H]21 ZINC001237483712 819760649 /nfs/dbraw/zinc/76/06/49/819760649.db2.gz RHXWBNSOAUZKTE-ZFWWWQNUSA-N 1 0 273.376 3.034 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2CC[C@@H]2C)cc1Br ZINC001237678435 819804194 /nfs/dbraw/zinc/80/41/94/819804194.db2.gz ZADZTSKJLMULMD-VIFPVBQESA-N 1 0 270.170 3.057 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@](C)(O)[C@@H](C)C2)c1O ZINC001237681773 819806317 /nfs/dbraw/zinc/80/63/17/819806317.db2.gz RKEQFRRACNUBBP-BLLLJJGKSA-N 1 0 297.826 3.337 20 10 CGCDRO [O-]c1c(Cl)cc(F)cc1C[N@@H+]1CC[C@@H]2CCCO[C@@H]2C1 ZINC001237799173 819845510 /nfs/dbraw/zinc/84/55/10/819845510.db2.gz DSTZZDDWUBNCAB-IINYFYTJSA-N 1 0 299.773 3.186 20 10 CGCDRO CCc1ncc(C[N@@H+](CC)Cc2ccccc2O)s1 ZINC001237828121 819852128 /nfs/dbraw/zinc/85/21/28/819852128.db2.gz HWBNBPKCIJUPEP-UHFFFAOYSA-N 1 0 276.405 3.433 20 10 CGCDRO Cc1sccc1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001237968701 819898931 /nfs/dbraw/zinc/89/89/31/819898931.db2.gz PXQLOHAQCYAJSA-UHFFFAOYSA-N 1 0 259.374 3.320 20 10 CGCDRO CCn1ccc(C2=CCC[N@H+](Cc3ccccc3)C2)cc1=O ZINC001240388374 821011567 /nfs/dbraw/zinc/01/15/67/821011567.db2.gz AUUQOQZORNCMST-UHFFFAOYSA-N 1 0 294.398 3.158 20 10 CGCDRO FC1(F)[C@@H]2C[C@@H]([NH2+]Cc3ccc(N4CCCC4)cc3)C[C@@H]21 ZINC001350136384 936980239 /nfs/dbraw/zinc/98/02/39/936980239.db2.gz NIDWXJXOJXXOPM-MKZZRHPPSA-N 1 0 292.373 3.420 20 10 CGCDRO CC1([NH2+]Cc2ccc(N)cc2)CCC(F)(F)CC1 ZINC001352790605 937049424 /nfs/dbraw/zinc/04/94/24/937049424.db2.gz SDPWOZVFOPPBOR-UHFFFAOYSA-N 1 0 254.324 3.326 20 10 CGCDRO CC(C)(C)N1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2O)C1 ZINC001474625075 937208008 /nfs/dbraw/zinc/20/80/08/937208008.db2.gz IQHSWYWBBYGVGV-CYBMUJFWSA-N 1 0 282.815 3.008 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH+]2CC3(CCC3)C2)cc1 ZINC001308808042 928544952 /nfs/dbraw/zinc/54/49/52/928544952.db2.gz JNMQJTLUKPBGJD-HYXAFXHYSA-N 1 0 256.393 3.252 20 10 CGCDRO Cc1ccc(C)c(C[N@@H+]2CCC[C@](C)(F)C2)c1O ZINC001140178423 931956858 /nfs/dbraw/zinc/95/68/58/931956858.db2.gz LHWGXPRXHYKONC-HNNXBMFYSA-N 1 0 251.345 3.333 20 10 CGCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@@]3(C2)CCCCO3)c1O ZINC001140178443 931957075 /nfs/dbraw/zinc/95/70/75/931957075.db2.gz LSNLBQBSLUIBNM-QGZVFWFLSA-N 1 0 275.392 3.154 20 10 CGCDRO CC(C)[C@@H](CO)[C@@H]([NH2+]Cc1c(O)cccc1Cl)C(C)C ZINC001461518340 937584213 /nfs/dbraw/zinc/58/42/13/937584213.db2.gz BYLCVUJISBKFMV-CJNGLKHVSA-N 1 0 299.842 3.424 20 10 CGCDRO COCC1([NH2+]Cc2ccc(N(C)C)c(F)c2)CCCCC1 ZINC001461659051 937591027 /nfs/dbraw/zinc/59/10/27/937591027.db2.gz JJDOLRMTHZBGCE-UHFFFAOYSA-N 1 0 294.414 3.331 20 10 CGCDRO COc1cc(C)c(C[NH2+]CCCCOC(C)C)c(O)c1 ZINC001461992125 937611408 /nfs/dbraw/zinc/61/14/08/937611408.db2.gz MADAUHORAJHMCD-UHFFFAOYSA-N 1 0 281.396 3.004 20 10 CGCDRO Oc1cc(Cl)ccc1C[NH+]1CCC([C@H]2CCCO2)CC1 ZINC001462117406 937618962 /nfs/dbraw/zinc/61/89/62/937618962.db2.gz PDIFBWJOOMQPTI-MRXNPFEDSA-N 1 0 295.810 3.437 20 10 CGCDRO CCC[C@@H](C[NH2+][C@H](C)Cc1ccc(N(C)C)cc1C)OC ZINC001462353076 937635185 /nfs/dbraw/zinc/63/51/85/937635185.db2.gz DBMORSALKCRZLF-QAPCUYQASA-N 1 0 292.467 3.397 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH+]1CC(CC2CC2)C1 ZINC001462457760 937643275 /nfs/dbraw/zinc/64/32/75/937643275.db2.gz FVVXKRXAWZRXNY-UHFFFAOYSA-N 1 0 258.409 3.293 20 10 CGCDRO CCN(C)c1ccc(C[NH2+][C@H]2C[C@@](C)(OC)C2(C)C)cc1 ZINC001307777896 932998348 /nfs/dbraw/zinc/99/83/48/932998348.db2.gz FLRTWKLVQZWFPC-FUHWJXTLSA-N 1 0 290.451 3.436 20 10 CGCDRO CC[C@@H](C)[N@H+](C)CCNCc1c(O)cc(C)cc1Cl ZINC001308240387 933078381 /nfs/dbraw/zinc/07/83/81/933078381.db2.gz PWNHQPSPNNLYTO-GFCCVEGCSA-N 1 0 284.831 3.174 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CCOC2CCCCC2)cc1F ZINC001308249573 933079718 /nfs/dbraw/zinc/07/97/18/933079718.db2.gz HSGZQTOKRYYXNL-UHFFFAOYSA-N 1 0 294.414 3.331 20 10 CGCDRO C[C@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)c1nccs1 ZINC001308364817 933101624 /nfs/dbraw/zinc/10/16/24/933101624.db2.gz CIUBQIHTKKRITK-LLVKDONJSA-N 1 0 293.411 3.242 20 10 CGCDRO CC[C@H]1CC[N@H+](Cc2c(C)cc(OC)cc2O)[C@H]1C ZINC001308706223 933163140 /nfs/dbraw/zinc/16/31/40/933163140.db2.gz TWHXWSUDECLVHF-STQMWFEESA-N 1 0 263.381 3.330 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]Cc1cccc2ncccc12 ZINC001308931348 933205667 /nfs/dbraw/zinc/20/56/67/933205667.db2.gz QSQKTTKRYKBFJK-UHFFFAOYSA-N 1 0 282.318 3.369 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC001319691648 933915154 /nfs/dbraw/zinc/91/51/54/933915154.db2.gz QOTFSHMONWREME-INIZCTEOSA-N 1 0 297.398 3.465 20 10 CGCDRO c1cc(N2CCCC2)ccc1C[N@@H+]1CCCSCC1 ZINC001320138437 934006604 /nfs/dbraw/zinc/00/66/04/934006604.db2.gz KFISXPTZHBVJON-UHFFFAOYSA-N 1 0 276.449 3.226 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CC(C)(C)C2(C)C)c(O)c1 ZINC001320508703 934057449 /nfs/dbraw/zinc/05/74/49/934057449.db2.gz GUHNDQMQLWUBPI-UHFFFAOYSA-N 1 0 263.381 3.411 20 10 CGCDRO C[C@H]1COC(C)(C)C[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001320723775 934092644 /nfs/dbraw/zinc/09/26/44/934092644.db2.gz ZXXPYLCZSZKKGA-HNNXBMFYSA-N 1 0 288.435 3.286 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2N(C)C)c(O)c1 ZINC001321025065 934135946 /nfs/dbraw/zinc/13/59/46/934135946.db2.gz XIGLVQLCZLANDT-IMJJTQAJSA-N 1 0 276.424 3.224 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2N(C)C)c(O)c1 ZINC001321025066 934136069 /nfs/dbraw/zinc/13/60/69/934136069.db2.gz XIGLVQLCZLANDT-NUEKZKHPSA-N 1 0 276.424 3.224 20 10 CGCDRO C[C@H]1CSCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001321090331 934148214 /nfs/dbraw/zinc/14/82/14/934148214.db2.gz JTWQPQMZTFLLTF-OAHLLOKOSA-N 1 0 290.476 3.472 20 10 CGCDRO [O-]c1cc(F)c(Cl)cc1C[NH2+]CCC1CCOCC1 ZINC001325009875 934881516 /nfs/dbraw/zinc/88/15/16/934881516.db2.gz BGXHACVXCZEMGG-UHFFFAOYSA-N 1 0 287.762 3.091 20 10 CGCDRO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@@]12CCOC2 ZINC001325475977 934914435 /nfs/dbraw/zinc/91/44/35/934914435.db2.gz SXROCCXTDLKVJR-IBGZPJMESA-N 1 0 295.382 3.424 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@@H](C)c1ccn(C)n1 ZINC001326047010 934947354 /nfs/dbraw/zinc/94/73/54/934947354.db2.gz SEKMKTVVWBOSAT-MBNYWOFBSA-N 1 0 285.391 3.333 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@]2(CO)CCCC(C)(C)C2)cc1 ZINC001473652948 937816099 /nfs/dbraw/zinc/81/60/99/937816099.db2.gz BSGZXLKEKGTRKM-SFHVURJKSA-N 1 0 290.451 3.174 20 10 CGCDRO c1cc(C[NH2+]Cc2ccc3c(c2)CCO3)n(C2CC2)c1 ZINC001326429040 934978770 /nfs/dbraw/zinc/97/87/70/934978770.db2.gz AKQFZUJKDULWHO-UHFFFAOYSA-N 1 0 268.360 3.048 20 10 CGCDRO COc1ccc(C[NH2+][C@H](C)Cc2ccc(C)cc2)c(O)c1 ZINC001326835975 935011758 /nfs/dbraw/zinc/01/17/58/935011758.db2.gz ODRIWTJFMCORAZ-CQSZACIVSA-N 1 0 285.387 3.430 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C2CC3(CC3(F)F)C2)c1 ZINC001327609748 935073279 /nfs/dbraw/zinc/07/32/79/935073279.db2.gz XGXIIUWYALDIOV-NAUIOFCNSA-N 1 0 283.318 3.239 20 10 CGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC001330716986 935316119 /nfs/dbraw/zinc/31/61/19/935316119.db2.gz YUSLHMVYYQHWKT-CMPLNLGQSA-N 1 0 298.390 3.034 20 10 CGCDRO c1cc(N2CCCC2)ccc1C[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC001330780432 935321580 /nfs/dbraw/zinc/32/15/80/935321580.db2.gz SLGGABKEPXQOIA-HOTGVXAUSA-N 1 0 256.393 3.129 20 10 CGCDRO CN(C)c1cc(F)c(C[NH2+]C/C=C\C2CC2)cc1F ZINC001331522210 935388603 /nfs/dbraw/zinc/38/86/03/935388603.db2.gz WVFVRUOPABVVOM-ARJAWSKDSA-N 1 0 266.335 3.087 20 10 CGCDRO CCc1onc(C)c1C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001332352734 935461477 /nfs/dbraw/zinc/46/14/77/935461477.db2.gz SUPKHNGUZZPUGS-UHFFFAOYSA-N 1 0 299.418 3.435 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCC[C@@H](F)C2)c1 ZINC001332436680 935469105 /nfs/dbraw/zinc/46/91/05/935469105.db2.gz RYKZLVOUFLWCAH-OLZOCXBDSA-N 1 0 267.344 3.161 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2CC[C@H](C)CC2)c(O)c1OC ZINC001333670562 935559615 /nfs/dbraw/zinc/55/96/15/935559615.db2.gz JQPVWVLPFSFFGL-AULYBMBSSA-N 1 0 279.380 3.078 20 10 CGCDRO COc1cccc([C@@]2(C)CC[N@H+](Cc3ccc(N)cc3)C2)c1 ZINC001335287756 936136991 /nfs/dbraw/zinc/13/69/91/936136991.db2.gz AQOIJVFTSKHJKY-IBGZPJMESA-N 1 0 296.414 3.441 20 10 CGCDRO Cc1cc(CC[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3C)nn1C ZINC001335295409 936137573 /nfs/dbraw/zinc/13/75/73/936137573.db2.gz CTEGWAGUVFZWHS-SWLSCSKDSA-N 1 0 299.418 3.123 20 10 CGCDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2ccc(N)cc2)C12CCC2 ZINC001336286665 936186278 /nfs/dbraw/zinc/18/62/78/936186278.db2.gz UEXQUHHUPBRMGM-HOTGVXAUSA-N 1 0 274.408 3.048 20 10 CGCDRO CS[C@H]1CC[C@@H]([N@H+](C)Cc2ccccc2O)C1 ZINC001337074198 936235818 /nfs/dbraw/zinc/23/58/18/936235818.db2.gz ZAAOIWDOGHTUBR-OLZOCXBDSA-N 1 0 251.395 3.108 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)CC(=O)OC(C)(C)C)c1cc(F)ccc1O ZINC001337800267 936290326 /nfs/dbraw/zinc/29/03/26/936290326.db2.gz MKBIVROGZREWGI-WDEREUQCSA-N 1 0 297.370 3.302 20 10 CGCDRO Cc1csc([C@@H]2CC[N@H+](Cc3ccc(N)cc3)C2)n1 ZINC001337838583 936293918 /nfs/dbraw/zinc/29/39/18/936293918.db2.gz PTYRWSAYGBREPP-CYBMUJFWSA-N 1 0 273.405 3.023 20 10 CGCDRO Cc1ccc(F)cc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC001473970097 937833301 /nfs/dbraw/zinc/83/33/01/937833301.db2.gz GSMPERIUNFQAQL-UHFFFAOYSA-N 1 0 271.335 3.359 20 10 CGCDRO CCCOc1ccc(C[NH2+]CCOCC2CC2)cc1C ZINC001473995971 937834648 /nfs/dbraw/zinc/83/46/48/937834648.db2.gz VNIMLQCBKYNROD-UHFFFAOYSA-N 1 0 277.408 3.300 20 10 CGCDRO CCCOc1ccc(C[NH2+]CCC[C@H](C)CO)cc1C ZINC001474101761 937840048 /nfs/dbraw/zinc/84/00/48/937840048.db2.gz RELUODGHDFIMSW-AWEZNQCLSA-N 1 0 279.424 3.282 20 10 CGCDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(N(CC)CC)cc2)C1 ZINC001474202530 937843921 /nfs/dbraw/zinc/84/39/21/937843921.db2.gz ZAZCBOAIZVLGNY-JCNLHEQBSA-N 1 0 276.424 3.190 20 10 CGCDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2C[C@@H]3CCC[C@@H]23)cc1F ZINC001474293644 937849031 /nfs/dbraw/zinc/84/90/31/937849031.db2.gz CQNSLGVTCDULMX-JVLSTEMRSA-N 1 0 280.362 3.309 20 10 CGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@H]1C[C@@H](C)n2ccnc21 ZINC001474494986 937863309 /nfs/dbraw/zinc/86/33/09/937863309.db2.gz HZGHPOFGYPAKJA-CJNGLKHVSA-N 1 0 284.407 3.264 20 10 CGCDRO CO[C@@H](C)CC[NH2+]Cc1cc(C(C)C)ccc1O ZINC001474531866 937865535 /nfs/dbraw/zinc/86/55/35/937865535.db2.gz QWVMNCFTQLZLKW-LBPRGKRZSA-N 1 0 251.370 3.030 20 10 CGCDRO C[C@@H]1CC(C)(C)C[N@@H+]1Cc1cc(F)cc(F)c1[O-] ZINC001474582972 937868579 /nfs/dbraw/zinc/86/85/79/937868579.db2.gz VDDAZUJLKNWLQG-SECBINFHSA-N 1 0 255.308 3.291 20 10 CGCDRO CCO[C@@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC001474608556 937870415 /nfs/dbraw/zinc/87/04/15/937870415.db2.gz GOGXXOKETDCGOJ-ZIAGYGMSSA-N 1 0 283.799 3.483 20 10 CGCDRO Oc1cc(Cl)ccc1C[NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC001474694440 937875810 /nfs/dbraw/zinc/87/58/10/937875810.db2.gz DBURRCFHHGHYNT-XEGUGMAKSA-N 1 0 281.783 3.093 20 10 CGCDRO COc1ccc(C[NH2+]CCc2nc(C)c(C)s2)cc1C ZINC001560373317 938255716 /nfs/dbraw/zinc/25/57/16/938255716.db2.gz ZZKZYFXPELLBNN-UHFFFAOYSA-N 1 0 290.432 3.409 20 10 CGCDRO CCC(C)(C)C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC001560439437 938258529 /nfs/dbraw/zinc/25/85/29/938258529.db2.gz LDJUQFOFIMMYCY-UHFFFAOYSA-N 1 0 252.377 3.418 20 10 CGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H]1CCC[C@@H]1CCO ZINC001560448826 938258907 /nfs/dbraw/zinc/25/89/07/938258907.db2.gz QSSLXJFVFYYJFV-ZBFHGGJFSA-N 1 0 286.419 3.127 20 10 CGCDRO COC(=O)C(C)(C)CC[NH2+]Cc1cc(C(C)C)ccc1O ZINC001560822519 938277875 /nfs/dbraw/zinc/27/78/75/938277875.db2.gz HDXONDKPKVRXJK-UHFFFAOYSA-N 1 0 293.407 3.195 20 10 CGCDRO Cc1cc(C[NH2+]Cc2ccc(Cl)cc2O)ccn1 ZINC001560843863 938279188 /nfs/dbraw/zinc/27/91/88/938279188.db2.gz MGOCIRBEOCIKBM-UHFFFAOYSA-N 1 0 262.740 3.039 20 10 CGCDRO Oc1c(C[NH2+]CCc2ccoc2)ccc2ccccc21 ZINC001560933730 938285086 /nfs/dbraw/zinc/28/50/86/938285086.db2.gz YCZJSHQBXJJJHW-UHFFFAOYSA-N 1 0 267.328 3.471 20 10 CGCDRO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]Cc1ccc(N)cc1 ZINC001578920828 962602104 /nfs/dbraw/zinc/60/21/04/962602104.db2.gz SVFXETXXDIFBJW-DYVFJYSZSA-N 1 0 270.376 3.135 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)cc1 ZINC000270671057 282290787 /nfs/dbraw/zinc/29/07/87/282290787.db2.gz QKPNEBRWVDADNC-NVXWUHKLSA-N 1 0 290.451 3.436 20 10 CGCDRO CCOc1ccc(O)c(C[N@H+](C)C2CCC(OC)CC2)c1 ZINC000093415142 345877795 /nfs/dbraw/zinc/87/77/95/345877795.db2.gz ABMICPIAVCBZRY-UHFFFAOYSA-N 1 0 293.407 3.180 20 10 CGCDRO C[C@@H]([NH2+]C1CCC1)c1cc(Br)ccc1O ZINC000273474193 346412658 /nfs/dbraw/zinc/41/26/58/346412658.db2.gz KHDSSRBGXPRPCU-MRVPVSSYSA-N 1 0 270.170 3.358 20 10 CGCDRO CC[C@H]([NH2+]CC[C@H](C)CCO)c1ccc(C)cc1O ZINC000297368557 522601241 /nfs/dbraw/zinc/60/12/41/522601241.db2.gz QHUZRXWPIRSBQU-WFASDCNBSA-N 1 0 265.397 3.150 20 10 CGCDRO C[N@H+](Cc1c(O)ccc2ccccc21)[C@H]1CCSC1 ZINC000125028216 370928534 /nfs/dbraw/zinc/92/85/34/370928534.db2.gz OMKZSKLBNAFNER-ZDUSSCGKSA-N 1 0 273.401 3.483 20 10 CGCDRO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000042552107 369224492 /nfs/dbraw/zinc/22/44/92/369224492.db2.gz FTSQHPQLGOURTO-SRVKXCTJSA-N 1 0 251.370 3.486 20 10 CGCDRO Cc1cccc(C[NH2+]CCc2cccc(F)c2)c1O ZINC000083432598 370005782 /nfs/dbraw/zinc/00/57/82/370005782.db2.gz UXYQDYIMTNOFET-UHFFFAOYSA-N 1 0 259.324 3.172 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCc3c2cccc3O)c1 ZINC000113337305 370471226 /nfs/dbraw/zinc/47/12/26/370471226.db2.gz PHKXMQFXGDKJDA-OAHLLOKOSA-N 1 0 269.344 3.183 20 10 CGCDRO CCOc1cccc(C[NH2+]C(C)(CC)CC)c1O ZINC000116359130 370558248 /nfs/dbraw/zinc/55/82/48/370558248.db2.gz ZQWRWBSKIYHFNZ-UHFFFAOYSA-N 1 0 251.370 3.459 20 10 CGCDRO C[C@H]([NH2+]C[C@]1(C)CCCS1)c1cc(F)ccc1O ZINC000134052693 371300391 /nfs/dbraw/zinc/30/03/91/371300391.db2.gz XSAJUOMSVAXDRE-HZMBPMFUSA-N 1 0 269.385 3.468 20 10 CGCDRO c1cc(C[NH2+][C@H]2CCOC3(CCCC3)C2)cc2c1OCC2 ZINC000136687515 371481922 /nfs/dbraw/zinc/48/19/22/371481922.db2.gz SCZFOWBSVWMXIS-INIZCTEOSA-N 1 0 287.403 3.203 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCCSC2)c1 ZINC000286927000 371573940 /nfs/dbraw/zinc/57/39/40/371573940.db2.gz FYPCIXXNHWGCDB-RYUDHWBXSA-N 1 0 281.421 3.195 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1CCOC[C@@H]1C)c1cc(Cl)ccc1O ZINC000287375489 371645258 /nfs/dbraw/zinc/64/52/58/371645258.db2.gz HYJILWPJUVSDDS-SRVKXCTJSA-N 1 0 283.799 3.369 20 10 CGCDRO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1cccc(C)c1O ZINC000290303139 371958152 /nfs/dbraw/zinc/95/81/52/371958152.db2.gz BMFBTNLDRFLFDH-HNNXBMFYSA-N 1 0 285.391 3.378 20 10 CGCDRO C[C@@H]1C[C@@H](C[NH2+]Cc2cc(Cl)c(F)cc2[O-])CCO1 ZINC000293660818 372441040 /nfs/dbraw/zinc/44/10/40/372441040.db2.gz PPJJWUGDMAGTIV-ZJUUUORDSA-N 1 0 287.762 3.089 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CCCO[C@H](C(C)C)C2)c1 ZINC000294144996 372593074 /nfs/dbraw/zinc/59/30/74/372593074.db2.gz VBDIMEOCJMBXQD-KRWDZBQOSA-N 1 0 293.407 3.038 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)cc1C ZINC000294214137 372616187 /nfs/dbraw/zinc/61/61/87/372616187.db2.gz YKHPQESGYKTVMH-ROUUACIJSA-N 1 0 287.403 3.152 20 10 CGCDRO Oc1ccc(F)cc1C[NH+]1CCC2(CCC(O)CC2)CC1 ZINC000295194747 372698954 /nfs/dbraw/zinc/69/89/54/372698954.db2.gz XSXCDLYEHQUETH-UHFFFAOYSA-N 1 0 293.382 3.048 20 10 CGCDRO CC[C@@H]1C[N@H+](Cc2cc(Cl)c(F)cc2[O-])CCCO1 ZINC000294564233 372660657 /nfs/dbraw/zinc/66/06/57/372660657.db2.gz FZQIDDCLTSWVFY-LLVKDONJSA-N 1 0 287.762 3.186 20 10 CGCDRO CCn1cc([C@@H](C)[NH2+]Cc2cc(Cl)cc(C)c2O)cn1 ZINC000294888079 372675663 /nfs/dbraw/zinc/67/56/63/372675663.db2.gz QQDSHABMPAIOEI-LLVKDONJSA-N 1 0 293.798 3.421 20 10 CGCDRO [O-]c1c(F)cccc1C[NH2+]C[C@@H]1CCCCC1(F)F ZINC000295033519 372688400 /nfs/dbraw/zinc/68/84/00/372688400.db2.gz DJYGZVMTOKFICR-NSHDSACASA-N 1 0 273.298 3.446 20 10 CGCDRO CO[C@@H]1CC[N@H+](Cc2c(O)cccc2Cl)CC1(C)C ZINC000295122704 372694090 /nfs/dbraw/zinc/69/40/90/372694090.db2.gz XOORGWBDCVHNHI-CQSZACIVSA-N 1 0 283.799 3.293 20 10 CGCDRO Cc1ccc([C@@H](O)C[NH2+][C@H]2CCc3cccc(O)c32)cc1 ZINC000295809586 372919784 /nfs/dbraw/zinc/91/97/84/372919784.db2.gz CSVVOILLHWXKPG-RDJZCZTQSA-N 1 0 283.371 3.011 20 10 CGCDRO CC[C@@H]([NH2+]CCC(C)(C)CO)c1ccc(C)cc1O ZINC000295851793 372935970 /nfs/dbraw/zinc/93/59/70/372935970.db2.gz BAKZAHCYHXIOME-CQSZACIVSA-N 1 0 265.397 3.150 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]CCc1cccc(F)c1)CC2 ZINC000295938995 372966613 /nfs/dbraw/zinc/96/66/13/372966613.db2.gz KTKWSDLUSLCZQF-HNNXBMFYSA-N 1 0 271.335 3.351 20 10 CGCDRO C[C@](O)(CC[NH2+][C@H]1CCc2cccc(O)c21)c1ccccc1 ZINC000296342531 373096489 /nfs/dbraw/zinc/09/64/89/373096489.db2.gz HBGBVUZBZLJUQQ-LPHOPBHVSA-N 1 0 297.398 3.267 20 10 CGCDRO CCc1nc(CC[NH2+][C@@H]2CCc3cccc(O)c32)cs1 ZINC000297622642 373276504 /nfs/dbraw/zinc/27/65/04/373276504.db2.gz IZLVXWOSZIEJLD-CYBMUJFWSA-N 1 0 288.416 3.231 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCO[C@H](c3cccs3)C2)c1O ZINC000179887764 373933901 /nfs/dbraw/zinc/93/39/01/373933901.db2.gz MIDBQWYYRFIDKL-AWEZNQCLSA-N 1 0 289.400 3.336 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCCC[C@@H]2c2ncc[nH]2)c1O ZINC000179937663 373941335 /nfs/dbraw/zinc/94/13/35/373941335.db2.gz LDJCATUAFRKEBK-CQSZACIVSA-N 1 0 271.364 3.151 20 10 CGCDRO CO[C@@H](C)C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000182022109 374205055 /nfs/dbraw/zinc/20/50/55/374205055.db2.gz OIPRGPCFIXYCOM-HNNXBMFYSA-N 1 0 276.424 3.144 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C(C)(C)c2nc(C)cs2)c1 ZINC000182213893 374236881 /nfs/dbraw/zinc/23/68/81/374236881.db2.gz NFKJKJNMTVCURP-UHFFFAOYSA-N 1 0 292.404 3.191 20 10 CGCDRO C[C@H]([NH2+]C[C@@](C)(O)c1ccc(F)cc1)c1ccccc1O ZINC000183631120 374436793 /nfs/dbraw/zinc/43/67/93/374436793.db2.gz YADDYDQCGGEVQF-YVEFUNNKSA-N 1 0 289.350 3.090 20 10 CGCDRO Cc1ccc(NC(=O)C[N@@H+](C)Cc2cccc(C)c2O)cc1 ZINC000183481221 374418809 /nfs/dbraw/zinc/41/88/09/374418809.db2.gz YANJSJZGYFUVSY-UHFFFAOYSA-N 1 0 298.386 3.080 20 10 CGCDRO Cc1noc(C)c1[C@H](C)C[NH2+][C@H](C)c1ccccc1O ZINC000183626871 374436428 /nfs/dbraw/zinc/43/64/28/374436428.db2.gz DATWFFZLUUJYCF-GHMZBOCLSA-N 1 0 274.364 3.451 20 10 CGCDRO CCO[C@H](CC[NH2+][C@H](C)c1ccccc1O)C(C)C ZINC000183540471 374426068 /nfs/dbraw/zinc/42/60/68/374426068.db2.gz BSUWINAIPZJIMR-CZUORRHYSA-N 1 0 265.397 3.494 20 10 CGCDRO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2ccccc2O)C1 ZINC000183545824 374426229 /nfs/dbraw/zinc/42/62/29/374426229.db2.gz MARLRKHLIAMPGT-YGGLWSGOSA-N 1 0 295.448 3.123 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCC[C@@H]1CCO)c1ccc(N(C)C)cc1 ZINC000187998460 375135693 /nfs/dbraw/zinc/13/56/93/375135693.db2.gz YVJOYYLSAHWFOQ-JLSDUUJJSA-N 1 0 290.451 3.344 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CCS[C@H](C)CC2)c1 ZINC000190700188 375532886 /nfs/dbraw/zinc/53/28/86/375532886.db2.gz NGEDJWGVYNOXNX-GFCCVEGCSA-N 1 0 281.421 3.118 20 10 CGCDRO CCC[N@H+](CCO[C@@H]1CCCCO1)Cc1ccccc1O ZINC000193060680 375820133 /nfs/dbraw/zinc/82/01/33/375820133.db2.gz MMPOXGAJWQYYPQ-QGZVFWFLSA-N 1 0 293.407 3.147 20 10 CGCDRO CO[C@]1(C)CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000230300129 376501896 /nfs/dbraw/zinc/50/18/96/376501896.db2.gz VBGISYXYEREQNU-CQSZACIVSA-N 1 0 269.772 3.047 20 10 CGCDRO C[C@@H]([NH2+]Cc1cccc2c1OCO2)c1ccc(N(C)C)cc1 ZINC000237337683 376741126 /nfs/dbraw/zinc/74/11/26/376741126.db2.gz CEDCXOJPWFQQAG-CYBMUJFWSA-N 1 0 298.386 3.332 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCN(C)[C@H]1c1ccccc1)c1ccccc1O ZINC000248394895 377306566 /nfs/dbraw/zinc/30/65/66/377306566.db2.gz YKQYQMHZTVCXFO-FNHZYXHNSA-N 1 0 296.414 3.488 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1CCOC1)c1ccc(N2CCCCC2)cc1 ZINC000268883797 378143643 /nfs/dbraw/zinc/14/36/43/378143643.db2.gz YKXINGCSNVYDQL-CVEARBPZSA-N 1 0 288.435 3.364 20 10 CGCDRO CCC[C@@H](O)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000268889155 378144729 /nfs/dbraw/zinc/14/47/29/378144729.db2.gz NLKPAFLYYQXAOO-MAUKXSAKSA-N 1 0 290.451 3.489 20 10 CGCDRO C[C@H]([NH2+]CCCC(C)(C)CO)c1ccc(N(C)C)cc1 ZINC000268960244 378162019 /nfs/dbraw/zinc/16/20/19/378162019.db2.gz FNCBTCKHGUDOMC-AWEZNQCLSA-N 1 0 278.440 3.202 20 10 CGCDRO C[C@@H](O)C(C)(C)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000270731702 378394756 /nfs/dbraw/zinc/39/47/56/378394756.db2.gz RFFVCBLLRAVLMK-CYBMUJFWSA-N 1 0 285.387 3.308 20 10 CGCDRO CCC1CC[NH+](Cc2cc(OC)c(OC)cc2O)CC1 ZINC000271101003 378452752 /nfs/dbraw/zinc/45/27/52/378452752.db2.gz PDCLTXNNKMUKSV-UHFFFAOYSA-N 1 0 279.380 3.031 20 10 CGCDRO CC(C)CSCC[NH2+][C@@H](C)c1ccccc1O ZINC000271719664 378500738 /nfs/dbraw/zinc/50/07/38/378500738.db2.gz XNNCGOSDMBJWQT-LBPRGKRZSA-N 1 0 253.411 3.432 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C2(c3ccccc3)CC2)c1 ZINC000271813925 378508189 /nfs/dbraw/zinc/50/81/89/378508189.db2.gz BDQUJCSQISWGHA-UHFFFAOYSA-N 1 0 269.344 3.180 20 10 CGCDRO CCN(CC)CC[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000273395101 378744148 /nfs/dbraw/zinc/74/41/48/378744148.db2.gz LVJBSPWGIWQZNF-AWEZNQCLSA-N 1 0 264.413 3.001 20 10 CGCDRO CCc1nnc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)c(C)c2O)[nH]1 ZINC000273505237 378750079 /nfs/dbraw/zinc/75/00/79/378750079.db2.gz QXLRCLZIJXVCTG-NWDGAFQWSA-N 1 0 288.395 3.101 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)Cc2ccccc2)c(O)c1C ZINC000273584505 378753669 /nfs/dbraw/zinc/75/36/69/378753669.db2.gz NLXSRKKMGMNIJI-NVXWUHKLSA-N 1 0 299.414 3.263 20 10 CGCDRO COc1ccc2c(c1)OC[C@H]([NH2+][C@@H](C)c1ccccc1O)C2 ZINC000272795543 378705332 /nfs/dbraw/zinc/70/53/32/378705332.db2.gz AJUXUZWHNBEQNN-GXTWGEPZSA-N 1 0 299.370 3.055 20 10 CGCDRO CCOc1cccc(C[NH2+]CC[C@H]2CCO[C@H](C)C2)c1O ZINC000273005156 378733484 /nfs/dbraw/zinc/73/34/84/378733484.db2.gz AVXRWZUSOXYYAU-KGLIPLIRSA-N 1 0 293.407 3.086 20 10 CGCDRO Cc1nccnc1[C@@H](C)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000187761523 542246100 /nfs/dbraw/zinc/24/61/00/542246100.db2.gz VIRZEYZUTZDTJI-OAHLLOKOSA-N 1 0 296.418 3.236 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2CCCC[C@@H]2c2ccnn2C)cc1C ZINC000281366176 379831472 /nfs/dbraw/zinc/83/14/72/379831472.db2.gz VEEUWXKXJVRQNC-QGZVFWFLSA-N 1 0 299.418 3.470 20 10 CGCDRO CC[C@H]1C[N@H+](Cc2cc(Cl)cc(OC)c2O)CCCO1 ZINC000281206544 379823398 /nfs/dbraw/zinc/82/33/98/379823398.db2.gz JJSFKUFBBKZVQP-ZDUSSCGKSA-N 1 0 299.798 3.055 20 10 CGCDRO CCOC1CC2(C1)CC[N@H+](Cc1ccc(N(C)C)cc1)C2 ZINC000285484749 380146949 /nfs/dbraw/zinc/14/69/49/380146949.db2.gz LXMUZYRTRDIJMN-UHFFFAOYSA-N 1 0 288.435 3.144 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1c(F)cncc1F)c1ccccc1O ZINC000285707426 380153585 /nfs/dbraw/zinc/15/35/85/380153585.db2.gz PHEQEMDYOOZZNH-ZJUUUORDSA-N 1 0 278.302 3.477 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1 ZINC000365624087 382290203 /nfs/dbraw/zinc/29/02/03/382290203.db2.gz SITTXTURUONFQG-SJORKVTESA-N 1 0 287.403 3.234 20 10 CGCDRO Fc1cccc2c1OCC[C@H]2[NH2+]Cc1ccc2c(c1)CCO2 ZINC000364638610 382274162 /nfs/dbraw/zinc/27/41/62/382274162.db2.gz RLTSGNKOPJRUIK-MRXNPFEDSA-N 1 0 299.345 3.374 20 10 CGCDRO COC[C@H]1CCCC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000368654646 382379197 /nfs/dbraw/zinc/37/91/97/382379197.db2.gz AXAMRCIWTHMXPX-INIZCTEOSA-N 1 0 276.424 3.001 20 10 CGCDRO Oc1cc2c(cc1C[NH2+]C1CC(c3ccccc3)C1)OCO2 ZINC000105492435 392290611 /nfs/dbraw/zinc/29/06/11/392290611.db2.gz WHDHMKYWOMFAPI-UHFFFAOYSA-N 1 0 297.354 3.157 20 10 CGCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)CC(C)(C)C ZINC000121326227 392412789 /nfs/dbraw/zinc/41/27/89/392412789.db2.gz QSLOWFBOIPMOJB-UHFFFAOYSA-N 1 0 276.424 3.001 20 10 CGCDRO CSC[C@@H](C)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000131542957 392457175 /nfs/dbraw/zinc/45/71/75/392457175.db2.gz WGFNNHPQOHNNCL-VXGBXAGGSA-N 1 0 252.427 3.155 20 10 CGCDRO CC[N@@H+](Cc1c(O)cccc1Cl)C[C@@H]1CCCO1 ZINC000132664219 392461547 /nfs/dbraw/zinc/46/15/47/392461547.db2.gz IADGXTKVSHTUAF-NSHDSACASA-N 1 0 269.772 3.047 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](CC)c1ccc(N(C)C)cc1)C(C)(C)O ZINC000294944133 392541185 /nfs/dbraw/zinc/54/11/85/392541185.db2.gz IDMOZIKMOCBXEA-JKSUJKDBSA-N 1 0 278.440 3.343 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1O ZINC000158109708 392554587 /nfs/dbraw/zinc/55/45/87/392554587.db2.gz JEBYSDPSRLZMDI-LBPRGKRZSA-N 1 0 286.331 3.460 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1c(F)cncc1F ZINC000297348420 392568291 /nfs/dbraw/zinc/56/82/91/392568291.db2.gz PAISRGGRKTTYBY-TVQRCGJNSA-N 1 0 290.313 3.404 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000179558781 392702754 /nfs/dbraw/zinc/70/27/54/392702754.db2.gz SASJLZZYWJAZQG-QGZVFWFLSA-N 1 0 287.334 3.105 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000179580327 392704835 /nfs/dbraw/zinc/70/48/35/392704835.db2.gz VRJUWVMOORQWFM-QGZVFWFLSA-N 1 0 297.398 3.431 20 10 CGCDRO C[C@H]([NH2+]CCCCO)c1ccc(N2CCCCC2)c(F)c1 ZINC000194211238 392907182 /nfs/dbraw/zinc/90/71/82/392907182.db2.gz WFLQWENCQIALIH-AWEZNQCLSA-N 1 0 294.414 3.239 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C(C2CC2)C2CC2)c1 ZINC000020131097 171020143 /nfs/dbraw/zinc/02/01/43/171020143.db2.gz CKATWVQFZIHYBR-JTQLQIEISA-N 1 0 261.365 3.240 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H](O)c1ccccc1)c1ccccc1O ZINC000035601242 172289991 /nfs/dbraw/zinc/28/99/91/172289991.db2.gz WLIYDZFQBWULKV-WBVHZDCISA-N 1 0 271.360 3.167 20 10 CGCDRO Cc1ncsc1C[NH2+][C@H](C)c1cc(C)ccc1O ZINC000071212689 176084234 /nfs/dbraw/zinc/08/42/34/176084234.db2.gz OYNMLIXAEAYQBK-SNVBAGLBSA-N 1 0 262.378 3.316 20 10 CGCDRO CN(Cc1cccc2c1CC[NH2+]C2)c1ccc(F)c(F)c1 ZINC000662254365 419372109 /nfs/dbraw/zinc/37/21/09/419372109.db2.gz PQDMPOIJAQJXBY-UHFFFAOYSA-N 1 0 288.341 3.247 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCCC2)nc1)c1ccccc1O ZINC000154022490 261086865 /nfs/dbraw/zinc/08/68/65/261086865.db2.gz VGOPXMWCZQBJQO-CQSZACIVSA-N 1 0 297.402 3.238 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCO[C@H](C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000157843636 261153901 /nfs/dbraw/zinc/15/39/01/261153901.db2.gz OWKATSZWVAWCSD-XCRHUMRWSA-N 1 0 288.435 3.361 20 10 CGCDRO CCCC[N@H+](CC)Cc1cc(OC)c(OC)cc1O ZINC000159750981 261193217 /nfs/dbraw/zinc/19/32/17/261193217.db2.gz DOFSKJRJKWGEJW-UHFFFAOYSA-N 1 0 267.369 3.031 20 10 CGCDRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000184985344 262036122 /nfs/dbraw/zinc/03/61/22/262036122.db2.gz DVCXQLKOQYGTIJ-DGCLKSJQSA-N 1 0 279.380 3.030 20 10 CGCDRO Cc1nn(C)c(C)c1C[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000185276779 262048607 /nfs/dbraw/zinc/04/86/07/262048607.db2.gz NIXQVLUYQVOSBY-VIFPVBQESA-N 1 0 293.798 3.247 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccccc2C)c(O)c1 ZINC000185435567 262054598 /nfs/dbraw/zinc/05/45/98/262054598.db2.gz QPPXZKPMSHRCNQ-KBXCAEBGSA-N 1 0 285.387 3.393 20 10 CGCDRO Cc1ccccc1[C@H](O)C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000185435863 262054681 /nfs/dbraw/zinc/05/46/81/262054681.db2.gz NSRVWAPLMQHCGL-YVEFUNNKSA-N 1 0 289.350 3.224 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@](C)(O)c2ccccc2)c(O)c1 ZINC000185454301 262055320 /nfs/dbraw/zinc/05/53/20/262055320.db2.gz WCSGMRUMMLBNBV-KDOFPFPSSA-N 1 0 285.387 3.259 20 10 CGCDRO CCCC[C@H](COC)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000185494573 262056860 /nfs/dbraw/zinc/05/68/60/262056860.db2.gz ODKUKVLAPOBUMX-QWHCGFSZSA-N 1 0 281.396 3.257 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCC[C@H]3OCC[C@@H]32)c1 ZINC000185771955 262069484 /nfs/dbraw/zinc/06/94/84/262069484.db2.gz HDADHRVGFRBFOZ-LNCBFAARSA-N 1 0 275.392 3.309 20 10 CGCDRO C[C@@H]([NH2+]CCCCCCO)c1cc(Cl)ccc1O ZINC000186231115 262085424 /nfs/dbraw/zinc/08/54/24/262085424.db2.gz FVDVBZHMTFSAJV-LLVKDONJSA-N 1 0 271.788 3.249 20 10 CGCDRO CC[C@H]([NH2+]CCOC(C)C)c1ccc(N(C)C)cc1 ZINC000186639337 262103327 /nfs/dbraw/zinc/10/33/27/262103327.db2.gz ZQYJXQMEBQIVPA-INIZCTEOSA-N 1 0 264.413 3.218 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2COc3ccccc3C2)c1 ZINC000185224378 262302312 /nfs/dbraw/zinc/30/23/12/262302312.db2.gz GFUDGZMKFHOQED-OCCSQVGLSA-N 1 0 299.370 3.055 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](CCO)C(C)(C)C)c(O)c1 ZINC000186397785 262314933 /nfs/dbraw/zinc/31/49/33/262314933.db2.gz LMRHNAFHMMDGLG-WFASDCNBSA-N 1 0 265.397 3.148 20 10 CGCDRO CO[C@@H]1CC[N@H+](Cc2ccc(N(C)C)c(C)c2)CC1(C)C ZINC000296268029 263188868 /nfs/dbraw/zinc/18/88/68/263188868.db2.gz YNACYCWVBZCGOK-QGZVFWFLSA-N 1 0 290.451 3.308 20 10 CGCDRO CC1(C)OCC[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000293759803 264976163 /nfs/dbraw/zinc/97/61/63/264976163.db2.gz OWWUUZXLQIXTNB-KRWDZBQOSA-N 1 0 288.435 3.334 20 10 CGCDRO COc1cccc(C[N@@H+]2CCC23CCCCC3)c1O ZINC000369325844 267235303 /nfs/dbraw/zinc/23/53/03/267235303.db2.gz AOSAMADIBJKLBX-UHFFFAOYSA-N 1 0 261.365 3.309 20 10 CGCDRO C[C@H]([NH2+][C@@H]1COc2ccc(F)cc2C1)c1ccccc1O ZINC000290375434 274522993 /nfs/dbraw/zinc/52/29/93/274522993.db2.gz RLWZCFBVEDUXBR-FZMZJTMJSA-N 1 0 287.334 3.186 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](C)Cn1cccn1)c1ccc(N(C)C)cc1 ZINC000271468601 280192188 /nfs/dbraw/zinc/19/21/88/280192188.db2.gz LGMXMMVMMCGKJZ-WMLDXEAASA-N 1 0 286.423 3.079 20 10 CGCDRO CCC(CC)[C@@H](O)C[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000185424433 327915611 /nfs/dbraw/zinc/91/56/11/327915611.db2.gz NQAAWINJSVGXMT-LRDDRELGSA-N 1 0 265.397 3.148 20 10 CGCDRO COc1cccc(C[NH+]2CCC(c3ccccn3)CC2)c1O ZINC000378346795 329046866 /nfs/dbraw/zinc/04/68/66/329046866.db2.gz BEQOEXKPZKTKAP-UHFFFAOYSA-N 1 0 298.386 3.175 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CC[C@@H]2CCCOC2)c1 ZINC000527925133 330296484 /nfs/dbraw/zinc/29/64/84/330296484.db2.gz IBZLCBBRPUXCCW-KBPBESRZSA-N 1 0 263.381 3.168 20 10 CGCDRO C[C@H]([NH2+][C@@H](C)c1ncccc1F)c1ccccc1O ZINC000528035887 330302716 /nfs/dbraw/zinc/30/27/16/330302716.db2.gz MUWWMGQMCDNGMB-QWRGUYRKSA-N 1 0 260.312 3.338 20 10 CGCDRO CCC(CC)[C@@H](O)C[NH2+][C@@H](CC)c1ccccc1O ZINC000155786541 330698921 /nfs/dbraw/zinc/69/89/21/330698921.db2.gz SFHXACUTHCTBOY-HOCLYGCPSA-N 1 0 265.397 3.230 20 10 CGCDRO CC(C)(CCO)C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000231403337 333324922 /nfs/dbraw/zinc/32/49/22/333324922.db2.gz NPTGFLNZYWIYON-UHFFFAOYSA-N 1 0 290.451 3.175 20 10 CGCDRO C[C@@H]([NH2+]CCCC(C)(C)CO)c1ccc(N(C)C)cc1 ZINC000268960245 334718717 /nfs/dbraw/zinc/71/87/17/334718717.db2.gz FNCBTCKHGUDOMC-CQSZACIVSA-N 1 0 278.440 3.202 20 10 CGCDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCc3cccc(O)c32)cc1 ZINC000297060598 334914568 /nfs/dbraw/zinc/91/45/68/334914568.db2.gz VYDVRXXFFZXPAL-CQSZACIVSA-N 1 0 284.315 3.078 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1COC2(CCCCC2)O1)c1ccccc1O ZINC000183645081 500650960 /nfs/dbraw/zinc/65/09/60/500650960.db2.gz SUHKERCRGMNWEQ-UONOGXRCSA-N 1 0 291.391 3.119 20 10 CGCDRO CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2ccccc2O)CS1 ZINC000277194229 518949290 /nfs/dbraw/zinc/94/92/90/518949290.db2.gz IVRIWLNEKGEFQI-OCCSQVGLSA-N 1 0 265.422 3.402 20 10 CGCDRO CC(C)COCCC[NH2+][C@H](C)c1ccccc1O ZINC000020147225 519754272 /nfs/dbraw/zinc/75/42/72/519754272.db2.gz YWPRAWIMOUZIIJ-CYBMUJFWSA-N 1 0 251.370 3.106 20 10 CGCDRO CCOC[C@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000126579555 520170551 /nfs/dbraw/zinc/17/05/51/520170551.db2.gz YNQGSPBFHBZHAQ-LBPRGKRZSA-N 1 0 283.799 3.294 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CC[C@@H](C)OC)cc1 ZINC000268861504 520285657 /nfs/dbraw/zinc/28/56/57/520285657.db2.gz RQDJZJWACZSUJM-ZIAGYGMSSA-N 1 0 264.413 3.218 20 10 CGCDRO CCCOc1ccc(C[N@H+](C)[C@@H]2CCSC2)c(O)c1 ZINC000130594740 520344719 /nfs/dbraw/zinc/34/47/19/520344719.db2.gz GNUWZXPLHIWMHO-CYBMUJFWSA-N 1 0 281.421 3.118 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](O)C(C)(C)C2)cc1 ZINC000276022685 520894336 /nfs/dbraw/zinc/89/43/36/520894336.db2.gz QVFGDHHMCMAUOY-QGZVFWFLSA-N 1 0 290.451 3.126 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CCC[C@@](C)(OC)CC2)c1O ZINC000280239756 521335198 /nfs/dbraw/zinc/33/51/98/521335198.db2.gz KLGCXXAELVLYEQ-QGZVFWFLSA-N 1 0 293.407 3.182 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H](C)c2cccc(O)c2)c1O ZINC000037151460 521370381 /nfs/dbraw/zinc/37/03/81/521370381.db2.gz WVXFDTXAIBHLRD-LBPRGKRZSA-N 1 0 287.359 3.347 20 10 CGCDRO CC[N@H+](Cc1ccccc1O)[C@@H]1CCOC(C)(C)C1 ZINC000291690213 521387671 /nfs/dbraw/zinc/38/76/71/521387671.db2.gz YADTXSVGEISCJD-CQSZACIVSA-N 1 0 263.381 3.172 20 10 CGCDRO CCCN(CC)C[C@@H](C)[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000290074123 521611673 /nfs/dbraw/zinc/61/16/73/521611673.db2.gz GHJJWDROARBHPO-ZIAGYGMSSA-N 1 0 294.439 3.172 20 10 CGCDRO CN(C)[C@H](C[NH2+]Cc1c(O)cccc1Cl)c1ccco1 ZINC000083551362 522087317 /nfs/dbraw/zinc/08/73/17/522087317.db2.gz HCVCDHOZAADYDD-CYBMUJFWSA-N 1 0 294.782 3.031 20 10 CGCDRO CC[C@@H](C)NC(=O)CC[NH2+][C@H](CC)c1ccc(C)cc1O ZINC000280187035 522156347 /nfs/dbraw/zinc/15/63/47/522156347.db2.gz SADZCTRHXNINOR-UKRRQHHQSA-N 1 0 292.423 3.046 20 10 CGCDRO CC[C@H]([NH2+]CCc1nccs1)c1ccccc1O ZINC000063133342 522603771 /nfs/dbraw/zinc/60/37/71/522603771.db2.gz NVYMIKSRWYZKKH-LBPRGKRZSA-N 1 0 262.378 3.132 20 10 CGCDRO CC[C@H]([NH2+]CCc1cccnc1)c1ccc(C)cc1O ZINC000280276110 522604475 /nfs/dbraw/zinc/60/44/75/522604475.db2.gz YDWJFRWATGNABC-INIZCTEOSA-N 1 0 270.376 3.379 20 10 CGCDRO CC[C@H]([NH2+]Cc1cnn(CC)c1)c1ccc(C)cc1O ZINC000280077291 522665983 /nfs/dbraw/zinc/66/59/83/522665983.db2.gz LMKFTKBUXGPNNQ-HNNXBMFYSA-N 1 0 273.380 3.158 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCCOCC1)c1ccc(C)cc1O ZINC000280239254 522713529 /nfs/dbraw/zinc/71/35/29/522713529.db2.gz VXUOQPJYQUBASV-HIFRSBDPSA-N 1 0 263.381 3.310 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H](C)N(C)C1CC1)c1ccc(C)cc1O ZINC000280142463 522848411 /nfs/dbraw/zinc/84/84/11/522848411.db2.gz PUBPXGVFNPZVAH-CZUORRHYSA-N 1 0 276.424 3.224 20 10 CGCDRO CO[C@@](C)(C[NH2+][C@H](C)c1ccc(C)c(C)c1O)C1CC1 ZINC000291099542 523800073 /nfs/dbraw/zinc/80/00/73/523800073.db2.gz DNEOZJJRGFFTTG-DYVFJYSZSA-N 1 0 277.408 3.475 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H](C)c2ccccc2OC)c1 ZINC000020097082 524751888 /nfs/dbraw/zinc/75/18/88/524751888.db2.gz BTKSRDMBFNTPNI-LBPRGKRZSA-N 1 0 287.359 3.260 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000037668370 525361753 /nfs/dbraw/zinc/36/17/53/525361753.db2.gz BDCNGQDBENRSMA-GFCCVEGCSA-N 1 0 286.331 3.460 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](C)CN2CCCCC2)c1 ZINC000037154413 525363440 /nfs/dbraw/zinc/36/34/40/525363440.db2.gz VZJZQLGSLHLNDP-HUUCEWRRSA-N 1 0 276.424 3.226 20 10 CGCDRO C[C@@H]([NH2+]C1CC(F)(F)C1)c1cc(Cl)ccc1O ZINC000277089132 525394463 /nfs/dbraw/zinc/39/44/63/525394463.db2.gz KJPJAUNUPJWNLI-SSDOTTSWSA-N 1 0 261.699 3.494 20 10 CGCDRO C[C@@H]([NH2+]CC1(C)CCOCC1)c1ccc(N(C)C)cc1 ZINC000222240512 525419128 /nfs/dbraw/zinc/41/91/28/525419128.db2.gz RWZDWEUDFGMCEC-CQSZACIVSA-N 1 0 276.424 3.220 20 10 CGCDRO C[C@@H]([NH2+]CCC(C)(C)O)c1cc2c(cc1O)CCCC2 ZINC000274813497 525427593 /nfs/dbraw/zinc/42/75/93/525427593.db2.gz WAUBCRKQHJSKDY-GFCCVEGCSA-N 1 0 277.408 3.083 20 10 CGCDRO C[C@@H]1Oc2ccccc2[C@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000288516684 525620533 /nfs/dbraw/zinc/62/05/33/525620533.db2.gz JGBLEBDBYGTITJ-UGSOOPFHSA-N 1 0 282.387 3.364 20 10 CGCDRO COc1cccc(C[N@@H+]2CCSC(C)(C)CC2)c1O ZINC000279500149 525952618 /nfs/dbraw/zinc/95/26/18/525952618.db2.gz WAMIRCCQWGGKEP-UHFFFAOYSA-N 1 0 281.421 3.118 20 10 CGCDRO COc1cccc(C[NH2+]C2CCC3(CC3)CC2)c1O ZINC000277551941 526012076 /nfs/dbraw/zinc/01/20/76/526012076.db2.gz ZCDJNBWCGOPZCJ-UHFFFAOYSA-N 1 0 261.365 3.213 20 10 CGCDRO Cc1cnccc1OC1CC[NH+](Cc2ccccc2O)CC1 ZINC000278787015 526243318 /nfs/dbraw/zinc/24/33/18/526243318.db2.gz WFARUGUAQNLTPB-UHFFFAOYSA-N 1 0 298.386 3.139 20 10 CGCDRO [O-]c1c(Cl)cccc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000278586786 526325984 /nfs/dbraw/zinc/32/59/84/526325984.db2.gz DPXRQZZWZKRSFE-UHFFFAOYSA-N 1 0 294.826 3.010 20 10 CGCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]C[C@H]1CCOC1 ZINC000263700361 526338290 /nfs/dbraw/zinc/33/82/90/526338290.db2.gz RAYXFIVRMXWDAK-CQSZACIVSA-N 1 0 283.371 3.185 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]CC1CC(F)(F)C1 ZINC000291700112 526364003 /nfs/dbraw/zinc/36/40/03/526364003.db2.gz KBYWMFJIRXUIRQ-UHFFFAOYSA-N 1 0 261.699 3.181 20 10 CGCDRO Oc1ccccc1C[NH2+]C[C@@H]1CCCN(c2ccccc2)C1 ZINC000366047184 526374774 /nfs/dbraw/zinc/37/47/74/526374774.db2.gz ULNXARBGXVKVHT-INIZCTEOSA-N 1 0 296.414 3.398 20 10 CGCDRO Cc1ncsc1CC[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000294736569 527488819 /nfs/dbraw/zinc/48/88/19/527488819.db2.gz DRTSGLDQAVSOOB-UHFFFAOYSA-N 1 0 296.823 3.451 20 10 CGCDRO CC[C@H](COC)[NH2+]Cc1ccc(N(CC)CC)c(F)c1 ZINC000740007969 572428762 /nfs/dbraw/zinc/42/87/62/572428762.db2.gz VRWZJRVRGXXUKG-CQSZACIVSA-N 1 0 282.403 3.187 20 10 CGCDRO Oc1ccccc1C[N@H+](C[C@@H]1CCOC1)C1CCCC1 ZINC000732204063 572451723 /nfs/dbraw/zinc/45/17/23/572451723.db2.gz BATMHOBTAXFFQR-AWEZNQCLSA-N 1 0 275.392 3.173 20 10 CGCDRO CC(C)CC[C@@](C)(O)C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000740900599 572468663 /nfs/dbraw/zinc/46/86/63/572468663.db2.gz SJRHUKZRZUYFKI-QGZVFWFLSA-N 1 0 296.430 3.169 20 10 CGCDRO CC(C)[N@H+](CCOCC1CC1)Cc1ccc(N(C)C)cc1 ZINC000741804864 572531664 /nfs/dbraw/zinc/53/16/64/572531664.db2.gz IRDBULDXMCESSZ-UHFFFAOYSA-N 1 0 290.451 3.390 20 10 CGCDRO C[C@H](Cc1ccco1)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000733324448 572555137 /nfs/dbraw/zinc/55/51/37/572555137.db2.gz YSQMNCSZPIUTEO-GFCCVEGCSA-N 1 0 276.355 3.206 20 10 CGCDRO Oc1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)cc1Cl ZINC000733327892 572556140 /nfs/dbraw/zinc/55/61/40/572556140.db2.gz ZPJRLGHXTMAZMI-UHFFFAOYSA-N 1 0 289.762 3.270 20 10 CGCDRO Oc1ccccc1C[N@H+](CCC1CC1)C[C@H]1CCCO1 ZINC000744402685 572750535 /nfs/dbraw/zinc/75/05/35/572750535.db2.gz PSOZTZQVWXZQPC-MRXNPFEDSA-N 1 0 275.392 3.173 20 10 CGCDRO CCC(CC)[C@H](CC[NH2+]Cc1ccccc1O)OC ZINC000746761502 572895044 /nfs/dbraw/zinc/89/50/44/572895044.db2.gz ORYXQZSSPNLINI-INIZCTEOSA-N 1 0 265.397 3.323 20 10 CGCDRO C[C@@H](CC1CCOCC1)[NH2+]Cc1cc(Cl)ccc1O ZINC000747100800 572909010 /nfs/dbraw/zinc/90/90/10/572909010.db2.gz VEQWIOCHLMUPIP-NSHDSACASA-N 1 0 283.799 3.340 20 10 CGCDRO Oc1ccc(CCNc2cc[nH+]c3ccccc23)cc1O ZINC000145844942 617629881 /nfs/dbraw/zinc/62/98/81/617629881.db2.gz ARHWOFZSQJCXJR-UHFFFAOYSA-N 1 0 280.327 3.301 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2C[C@H](C)C[C@H](C)[C@H]2C)c1 ZINC000253105755 617677073 /nfs/dbraw/zinc/67/70/73/617677073.db2.gz TZLUVMYZLJLWSK-FRRDWIJNSA-N 1 0 263.381 3.267 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCC[C@H]2OC)cc1 ZINC000049948927 618032245 /nfs/dbraw/zinc/03/22/45/618032245.db2.gz XKJWSBRTBWIAFR-DLBZAZTESA-N 1 0 276.424 3.190 20 10 CGCDRO CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846146029 618074282 /nfs/dbraw/zinc/07/42/82/618074282.db2.gz RDYLMICVGYLMSZ-SDDRHHMPSA-N 1 0 251.370 3.486 20 10 CGCDRO Cc1cccc(C[NH+]2CCC(C(F)F)CC2)c1O ZINC000307884180 618108174 /nfs/dbraw/zinc/10/81/74/618108174.db2.gz ZHQAUBVBEWGJLX-UHFFFAOYSA-N 1 0 255.308 3.178 20 10 CGCDRO CC[C@H]1CCCC[N@@H+]1Cc1ccc(OC)c(OC)c1O ZINC000891443592 618212206 /nfs/dbraw/zinc/21/22/06/618212206.db2.gz JGQVHFUTVSLYTP-ZDUSSCGKSA-N 1 0 279.380 3.174 20 10 CGCDRO COC[C@@H](Cc1ccccc1)[N@H+](C)Cc1cccc(C)c1O ZINC000187993239 618340001 /nfs/dbraw/zinc/34/00/01/618340001.db2.gz ZVSGTFXONKULAR-GOSISDBHSA-N 1 0 299.414 3.390 20 10 CGCDRO COCCC[C@@H](C)[NH2+]CCCSc1nccs1 ZINC000178463285 618456694 /nfs/dbraw/zinc/45/66/94/618456694.db2.gz QXTMWYUDBGJKLI-LLVKDONJSA-N 1 0 274.455 3.030 20 10 CGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)c2cncs2)c1O ZINC000934197160 618527735 /nfs/dbraw/zinc/52/77/35/618527735.db2.gz AZYYVRCZYBTOJK-QMMMGPOBSA-N 1 0 294.351 3.041 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCCCn2ccnc2)c(O)c1 ZINC000045105630 618619257 /nfs/dbraw/zinc/61/92/57/618619257.db2.gz LHAULCGOGDDUBN-AWEZNQCLSA-N 1 0 273.380 3.028 20 10 CGCDRO CC1(C)CC([NH2+]CCCSc2nccs2)C1 ZINC000309378934 618671926 /nfs/dbraw/zinc/67/19/26/618671926.db2.gz DAPKHXHVGIHYMQ-UHFFFAOYSA-N 1 0 256.440 3.404 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(NC(N)=O)cc2)c(O)c1 ZINC000184971813 625284785 /nfs/dbraw/zinc/28/47/85/625284785.db2.gz ASPWXQFGQTVGGD-LBPRGKRZSA-N 1 0 299.374 3.042 20 10 CGCDRO COc1cc(C)cc(C[N@H+](C)Cc2scnc2C)c1O ZINC000178891911 618712731 /nfs/dbraw/zinc/71/27/31/618712731.db2.gz VEHPDAJAFVRJLX-UHFFFAOYSA-N 1 0 292.404 3.106 20 10 CGCDRO CC[N@@H+](Cc1ccccc1O)C[C@H](O)c1ccc(C)cc1 ZINC000179579624 618795931 /nfs/dbraw/zinc/79/59/31/618795931.db2.gz QLKSMOSVTZSIHD-SFHVURJKSA-N 1 0 285.387 3.256 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2CCC(F)(F)C2)cc1C ZINC000310775400 618864902 /nfs/dbraw/zinc/86/49/02/618864902.db2.gz AMXPDMDCGHKMCG-LBPRGKRZSA-N 1 0 255.308 3.281 20 10 CGCDRO COC1([C@@H](C)[NH2+][C@H](C)c2cc(C)ccc2O)CCC1 ZINC000840884910 618876658 /nfs/dbraw/zinc/87/66/58/618876658.db2.gz RQUPEIZLUUOZGI-CHWSQXEVSA-N 1 0 263.381 3.309 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCC[C@@H](CO)C1)c1cc(Cl)ccc1O ZINC000840895573 618961928 /nfs/dbraw/zinc/96/19/28/618961928.db2.gz NVEVFTNEYMYYGC-LOWVWBTDSA-N 1 0 283.799 3.247 20 10 CGCDRO COc1ccc(O)c(C[NH2+]Cc2cccc(Cl)c2)c1 ZINC000053148107 618966316 /nfs/dbraw/zinc/96/63/16/618966316.db2.gz QMOKWPOGTSIVTA-UHFFFAOYSA-N 1 0 277.751 3.344 20 10 CGCDRO CC[C@H]1CCC[C@H]([NH2+]Cc2ccc(OC)c(OC)c2O)C1 ZINC000893014288 618977289 /nfs/dbraw/zinc/97/72/89/618977289.db2.gz QICTXVKUARYUMA-JSGCOSHPSA-N 1 0 293.407 3.468 20 10 CGCDRO Oc1ccc(C[NH2+]CCCSc2nccs2)cc1F ZINC000893045312 618984367 /nfs/dbraw/zinc/98/43/67/618984367.db2.gz PFLXFKCROKUCBB-UHFFFAOYSA-N 1 0 298.408 3.260 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CC3CCC2CC3)c(O)c1OC ZINC000893112086 618997467 /nfs/dbraw/zinc/99/74/67/618997467.db2.gz KYTOYBCRCXWSMT-ORHYLEIMSA-N 1 0 291.391 3.078 20 10 CGCDRO CCCC1(C[NH2+]Cc2ccc(OC)c(OC)c2O)CCC1 ZINC000893110762 618997590 /nfs/dbraw/zinc/99/75/90/618997590.db2.gz ONFRLIJFXHEMPY-UHFFFAOYSA-N 1 0 293.407 3.469 20 10 CGCDRO CCc1cnc(CC[NH2+][C@H](C)c2cc(F)ccc2O)s1 ZINC000185583899 619063236 /nfs/dbraw/zinc/06/32/36/619063236.db2.gz YYSKKTSSBQFRJV-SNVBAGLBSA-N 1 0 294.395 3.444 20 10 CGCDRO CC(C)C[C@H]1OCCC[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000185196886 625319056 /nfs/dbraw/zinc/31/90/56/625319056.db2.gz UYBOTPKEEVLJAG-SJLPKXTDSA-N 1 0 289.419 3.305 20 10 CGCDRO Oc1cc2c(cc1C[NH2+]C(C1CCC1)C1CCC1)OCO2 ZINC000325016201 625321101 /nfs/dbraw/zinc/32/11/01/625321101.db2.gz DSZKPKQCZNCBMI-UHFFFAOYSA-N 1 0 289.375 3.179 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H]2C[C@@H](OC(C)C)C2(C)C)c1 ZINC000185242046 625326900 /nfs/dbraw/zinc/32/69/00/625326900.db2.gz XBURQEXCICLEKZ-HZPDHXFCSA-N 1 0 293.407 3.083 20 10 CGCDRO CCC(O)(CC)C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000185231409 625324636 /nfs/dbraw/zinc/32/46/36/625324636.db2.gz FOGKIVBWSBJNOD-ZDUSSCGKSA-N 1 0 291.435 3.473 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CC[C@H]1CCCCO1 ZINC000840936448 619227547 /nfs/dbraw/zinc/22/75/47/619227547.db2.gz IWJCJPNDSMQAHE-QGZVFWFLSA-N 1 0 276.424 3.110 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)cc1C ZINC000840957066 619270004 /nfs/dbraw/zinc/27/00/04/619270004.db2.gz IETOPSYYRYGCKG-ZWKOTPCHSA-N 1 0 297.398 3.317 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1cccn1C ZINC000840976253 619308274 /nfs/dbraw/zinc/30/82/74/619308274.db2.gz NTWWHRUFWQHYBX-HNNXBMFYSA-N 1 0 285.435 3.120 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2CCC[C@@H](C)CC2)c(O)c1OC ZINC000893907582 619329197 /nfs/dbraw/zinc/32/91/97/619329197.db2.gz NGTYXWZMBHBDQE-OCCSQVGLSA-N 1 0 293.407 3.468 20 10 CGCDRO COc1cc(C)cc(C[N@H+](C)[C@@H](C)c2ccco2)c1O ZINC000893930574 619334985 /nfs/dbraw/zinc/33/49/85/619334985.db2.gz DAXRIABMCULPLE-LBPRGKRZSA-N 1 0 275.348 3.495 20 10 CGCDRO CCCN(c1ccc(C[NH3+])cc1)C1CC2(C1)CO[C@H](C)C2 ZINC000894046891 619358780 /nfs/dbraw/zinc/35/87/80/619358780.db2.gz PBHFWQBRYGCAEW-RWBZWWBESA-N 1 0 288.435 3.319 20 10 CGCDRO COc1cc(C)cc(C[NH2+]C[C@@]2(C)CCCS2)c1O ZINC000894329055 619493860 /nfs/dbraw/zinc/49/38/60/619493860.db2.gz FNXOKKYQAXYWLB-OAHLLOKOSA-N 1 0 281.421 3.085 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@@H]2CC(C)(C)OC2(C)C)c1O ZINC000894413908 619527074 /nfs/dbraw/zinc/52/70/74/619527074.db2.gz FRYVYWAHAXPCFM-CQSZACIVSA-N 1 0 293.407 3.145 20 10 CGCDRO Cc1cccc2nc(C[NH2+][C@@H](C)c3ccc(F)cc3[O-])cn21 ZINC000185412413 625357159 /nfs/dbraw/zinc/35/71/59/625357159.db2.gz DUJMFIXQTFPRGG-LBPRGKRZSA-N 1 0 299.349 3.338 20 10 CGCDRO Cc1ccoc1C[N@@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000894845496 619650989 /nfs/dbraw/zinc/65/09/89/619650989.db2.gz BRZIJQGOXMNQSI-UHFFFAOYSA-N 1 0 267.275 3.204 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2C[C@@](C)(OC)C2(C)C)cc1C ZINC000237182587 619716678 /nfs/dbraw/zinc/71/66/78/619716678.db2.gz YRCMVGCCVCJJIM-DOTOQJQBSA-N 1 0 277.408 3.297 20 10 CGCDRO CCOc1ccc(C[NH2+]Cc2cnc(Cl)s2)c(O)c1 ZINC000895155979 619759482 /nfs/dbraw/zinc/75/94/82/619759482.db2.gz PYHPXKVQJRDIRR-UHFFFAOYSA-N 1 0 298.795 3.191 20 10 CGCDRO COc1cc(C)cc(C[NH2+]CCCc2ccco2)c1O ZINC000895335048 619806854 /nfs/dbraw/zinc/80/68/54/619806854.db2.gz VUMLOLPLGSPSMO-UHFFFAOYSA-N 1 0 275.348 3.025 20 10 CGCDRO COc1cc(C)cc(C[NH2+]C[C@H]2CCC(C)(C)CO2)c1O ZINC000895529863 619842775 /nfs/dbraw/zinc/84/27/75/619842775.db2.gz YPWPZIONRCBNNL-CQSZACIVSA-N 1 0 293.407 3.004 20 10 CGCDRO FC[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000895575827 619852244 /nfs/dbraw/zinc/85/22/44/619852244.db2.gz VFLSWPHMLZXXRP-MRXNPFEDSA-N 1 0 276.399 3.468 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]Cc1nccc2c1CCCC2 ZINC000896282417 619986142 /nfs/dbraw/zinc/98/61/42/619986142.db2.gz ZUIHMTJSWWPLPZ-UHFFFAOYSA-N 1 0 282.387 3.264 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H](c2ccccn2)C2CC2)c(O)c1 ZINC000896607829 620036875 /nfs/dbraw/zinc/03/68/75/620036875.db2.gz ABLPIWHFHYBLMQ-QGZVFWFLSA-N 1 0 268.360 3.337 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)[C@H]1C[C@H]1C ZINC000840714122 620152569 /nfs/dbraw/zinc/15/25/69/620152569.db2.gz IQJHZSBWKSTHKW-CPUCHLNUSA-N 1 0 290.476 3.374 20 10 CGCDRO Cc1ccc(C[NH2+]CC[C@@H]2OCCc3ccccc32)c(O)c1 ZINC000897231283 620166771 /nfs/dbraw/zinc/16/67/71/620166771.db2.gz CEKPVJGHPQLXEH-IBGZPJMESA-N 1 0 297.398 3.494 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H]2CCC[C@H](O)C2)cc1 ZINC000163332707 620257539 /nfs/dbraw/zinc/25/75/39/620257539.db2.gz GDJFQCCVWKJWBL-DAYGRLMNSA-N 1 0 290.451 3.344 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CC(C)(C)C[C@H]2C)c1 ZINC000193135580 620359009 /nfs/dbraw/zinc/35/90/09/620359009.db2.gz LNILQBORKOGKQX-BXUZGUMPSA-N 1 0 263.381 3.315 20 10 CGCDRO CC[C@H]([NH2+]CC1(C2(O)CCC2)CC1)c1ccccc1O ZINC000897527424 620370515 /nfs/dbraw/zinc/37/05/15/620370515.db2.gz MCUNIOYDEWGUQQ-AWEZNQCLSA-N 1 0 275.392 3.128 20 10 CGCDRO C[C@@H](CO)[NH2+]Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000237452448 620376763 /nfs/dbraw/zinc/37/67/63/620376763.db2.gz LCCHRWWHTKTNQX-LBPRGKRZSA-N 1 0 293.451 3.458 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CC[C@@H]2CCCC[C@@H]2O)cc1Cl ZINC000897533955 620378109 /nfs/dbraw/zinc/37/81/09/620378109.db2.gz MMCUTFXFLGYXJV-WFASDCNBSA-N 1 0 297.826 3.385 20 10 CGCDRO C[C@H]([NH2+]Cc1ccon1)c1ccc2ccccc2c1O ZINC000148607217 620398260 /nfs/dbraw/zinc/39/82/60/620398260.db2.gz XZFLLQBEAJDUMT-NSHDSACASA-N 1 0 268.316 3.384 20 10 CGCDRO CCOc1cccc(CNc2ccc([C@@H](C)[NH3+])cc2)c1O ZINC000841029527 620406986 /nfs/dbraw/zinc/40/69/86/620406986.db2.gz VZYSOKFTJOQHFM-GFCCVEGCSA-N 1 0 286.375 3.423 20 10 CGCDRO C[C@@H]([NH2+][C@H]1COCc2ccccc21)c1ccccc1O ZINC000841761652 620407016 /nfs/dbraw/zinc/40/70/16/620407016.db2.gz QEAYHVUXZVCEHE-WBMJQRKESA-N 1 0 269.344 3.314 20 10 CGCDRO CCOc1cccc(C[NH+]2CC(Cc3ccoc3)C2)c1O ZINC000898160716 620484545 /nfs/dbraw/zinc/48/45/45/620484545.db2.gz QOENUFCKJGTBFT-UHFFFAOYSA-N 1 0 287.359 3.058 20 10 CGCDRO Nc1ccc(N[C@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000841040009 620518074 /nfs/dbraw/zinc/51/80/74/620518074.db2.gz GHYPBQRNEHFXQU-IRXDYDNUSA-N 1 0 267.376 3.174 20 10 CGCDRO Cc1nc(C[NH2+][C@@H](C)c2cc(C)ccc2O)cs1 ZINC000041010520 620549917 /nfs/dbraw/zinc/54/99/17/620549917.db2.gz QMWACSAUUXLUND-JTQLQIEISA-N 1 0 262.378 3.316 20 10 CGCDRO CCC[C@@H](O)CC[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000927020866 620562924 /nfs/dbraw/zinc/56/29/24/620562924.db2.gz ZNMDDPVBDUVKMA-ZIAGYGMSSA-N 1 0 265.397 3.211 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCCC[C@H]([C@H]3CCOC3)C2)c1O ZINC000898515896 620594904 /nfs/dbraw/zinc/59/49/04/620594904.db2.gz HJUWVPAJQNFUPB-RDJZCZTQSA-N 1 0 289.419 3.339 20 10 CGCDRO CNc1ccccc1C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000902614977 621386000 /nfs/dbraw/zinc/38/60/00/621386000.db2.gz WGPMLIXDPWACRN-GFCCVEGCSA-N 1 0 286.375 3.293 20 10 CGCDRO CO[C@@H]1CC[C@@H]1[N@H+](C)Cc1c(O)ccc2ccccc21 ZINC000902634654 621390163 /nfs/dbraw/zinc/39/01/63/621390163.db2.gz OUECROFMQIDGGV-DOTOQJQBSA-N 1 0 271.360 3.155 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CC[C@@H]2CCCC[C@@H]2O)c1 ZINC000903262821 621648741 /nfs/dbraw/zinc/64/87/41/621648741.db2.gz HFRYUTMBLPXBCE-DZKIICNBSA-N 1 0 277.408 3.292 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)c1cc(Cl)ccc1O ZINC000903266171 621652719 /nfs/dbraw/zinc/65/27/19/621652719.db2.gz UKTWTYIKYWMXQW-PKPZWWHKSA-N 1 0 281.783 3.264 20 10 CGCDRO C[C@@H]([NH2+]C1CC2(C1)CO[C@H](C)C2)c1cc(F)ccc1O ZINC000903281143 621661335 /nfs/dbraw/zinc/66/13/35/621661335.db2.gz FLAXPTZCTXOWKV-UUKUIKCLSA-N 1 0 279.355 3.140 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC(C)(C)C[C@@H](C)O)c1 ZINC000186075041 625511498 /nfs/dbraw/zinc/51/14/98/625511498.db2.gz KBRQMUNZUJVGCG-CHWSQXEVSA-N 1 0 265.397 3.148 20 10 CGCDRO CC[C@H]([NH2+]C[C@@]1(OC)CCSC1)c1ccc(C)cc1O ZINC000903315669 621687047 /nfs/dbraw/zinc/68/70/47/621687047.db2.gz XXUMZVYFLZGIPG-HOCLYGCPSA-N 1 0 295.448 3.263 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](c2ncccn2)C2CC2)c(O)c1 ZINC000903326411 621699898 /nfs/dbraw/zinc/69/98/98/621699898.db2.gz LQNJEZVSOGMJOT-MLGOLLRUSA-N 1 0 283.375 3.293 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](c2ncccn2)C2CC2)c1 ZINC000903327828 621701187 /nfs/dbraw/zinc/70/11/87/621701187.db2.gz ZPJFEKJSUZEUGR-LRDDRELGSA-N 1 0 283.375 3.293 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCOC12CCCC2)c1cc(F)ccc1O ZINC000903382279 621723314 /nfs/dbraw/zinc/72/33/14/621723314.db2.gz GLLOJAHXKWORLI-NHYWBVRUSA-N 1 0 279.355 3.284 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCOC12CCCC2)c1cc(F)ccc1O ZINC000903382280 621723665 /nfs/dbraw/zinc/72/36/65/621723665.db2.gz GLLOJAHXKWORLI-XHDPSFHLSA-N 1 0 279.355 3.284 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CC[C@H](O)C2CC2)c1O ZINC000903407653 621731878 /nfs/dbraw/zinc/73/18/78/621731878.db2.gz PJLQIXNGSXPWDW-YGRLFVJLSA-N 1 0 283.799 3.166 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(CCO)cc2)c(O)c1 ZINC000903403520 621740911 /nfs/dbraw/zinc/74/09/11/621740911.db2.gz RRNFPUAKZHNDNH-CQSZACIVSA-N 1 0 285.387 3.086 20 10 CGCDRO COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H](C)c2cc(C)ccc2O)C1 ZINC000903450080 621760614 /nfs/dbraw/zinc/76/06/14/621760614.db2.gz DKTBXGOJIZMTDI-MJBXVCDLSA-N 1 0 291.391 3.083 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)c1ccc(N(C)C)cc1 ZINC000268924428 625530219 /nfs/dbraw/zinc/53/02/19/625530219.db2.gz PSEHXVFQNQQNDB-VQHPVUNQSA-N 1 0 274.408 3.113 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCCS2)c1 ZINC000149707298 622375165 /nfs/dbraw/zinc/37/51/65/622375165.db2.gz JWAFXQIBTSGGEW-NWDGAFQWSA-N 1 0 251.395 3.247 20 10 CGCDRO COc1cccc(C[N@@H+]2CCC[C@@H]2C(C)(C)C)c1O ZINC000769312394 625564765 /nfs/dbraw/zinc/56/47/65/625564765.db2.gz LWQLOOWXTMDCGL-CQSZACIVSA-N 1 0 263.381 3.411 20 10 CGCDRO CCCCN(C)CC[NH2+][C@@H](CC)c1ccccc1O ZINC000155798676 622491442 /nfs/dbraw/zinc/49/14/42/622491442.db2.gz CMJNLIFTLMNANM-HNNXBMFYSA-N 1 0 264.413 3.165 20 10 CGCDRO CC[C@@H]([NH2+][C@H](CO)CC(C)C)c1ccc(N(C)C)cc1 ZINC000151194778 622743162 /nfs/dbraw/zinc/74/31/62/622743162.db2.gz MEEDLUPMDWYGTH-DOTOQJQBSA-N 1 0 278.440 3.200 20 10 CGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]1C1CCCC1)OCO2 ZINC000055034949 622809115 /nfs/dbraw/zinc/80/91/15/622809115.db2.gz JGDCVPZDWNFXOW-CQSZACIVSA-N 1 0 289.375 3.276 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCC(C)(C)C)c1 ZINC000163992851 622810948 /nfs/dbraw/zinc/81/09/48/622810948.db2.gz JCEUSVHEJUDEDW-NSHDSACASA-N 1 0 251.370 3.488 20 10 CGCDRO C[C@@H]1OCC[N@H+](Cc2c(O)ccc3ccccc32)[C@H]1C ZINC000164099525 622816482 /nfs/dbraw/zinc/81/64/82/622816482.db2.gz NTPZZYPGMBXWRL-STQMWFEESA-N 1 0 271.360 3.155 20 10 CGCDRO CC[C@H]1C[N@H+](Cc2cc(C)cc(C)c2O)CCS1 ZINC000164428792 622834423 /nfs/dbraw/zinc/83/44/23/622834423.db2.gz NSHSEEVJPDGJSP-AWEZNQCLSA-N 1 0 265.422 3.336 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]C[C@H]1CC=CCC1 ZINC000045628814 622875478 /nfs/dbraw/zinc/87/54/78/622875478.db2.gz RKOIDAUZIGOVNR-NSHDSACASA-N 1 0 251.757 3.492 20 10 CGCDRO CCCN(CCC)c1ccc(C[NH2+]CCOC)cc1 ZINC000057901145 622891044 /nfs/dbraw/zinc/89/10/44/622891044.db2.gz GAOFWUHGOVOFJY-UHFFFAOYSA-N 1 0 264.413 3.049 20 10 CGCDRO CCCN(Cc1ccc(CO)cc1)c1ccc(C[NH3+])cc1 ZINC000157916852 622974254 /nfs/dbraw/zinc/97/42/54/622974254.db2.gz OUDABZVUFQOYGJ-UHFFFAOYSA-N 1 0 284.403 3.054 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+][C@H]2CC=CCC2)c1O ZINC000228675018 623070233 /nfs/dbraw/zinc/07/02/33/623070233.db2.gz LBSJIJRUPLVDSI-LBPRGKRZSA-N 1 0 267.756 3.253 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CC[C@H]2CCOC2)cc1 ZINC000230166077 623213777 /nfs/dbraw/zinc/21/37/77/623213777.db2.gz NYCFDRFKNXRDCN-INIZCTEOSA-N 1 0 276.424 3.049 20 10 CGCDRO CC[C@@H]([NH3+])C[NH2+][C@H](CC)c1ccc(Cl)c(Cl)c1[O-] ZINC000817981005 625633626 /nfs/dbraw/zinc/63/36/26/625633626.db2.gz YUBJWYOTIHCZLI-LDYMZIIASA-N 1 0 291.222 3.477 20 10 CGCDRO C[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000230659805 623260379 /nfs/dbraw/zinc/26/03/79/623260379.db2.gz PPEDMWQZUWBBGJ-DOTOQJQBSA-N 1 0 288.435 3.049 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H]2CC2(C)C)c1O ZINC000230934485 623284866 /nfs/dbraw/zinc/28/48/66/623284866.db2.gz VBVSXMAKRCYMBQ-JTQLQIEISA-N 1 0 269.772 3.190 20 10 CGCDRO C[C@H]1CC[C@H]([NH2+]Cc2cc(Br)ccc2O)C1 ZINC000232180862 623368727 /nfs/dbraw/zinc/36/87/27/623368727.db2.gz WYDGZCCAKRQPNC-CABZTGNLSA-N 1 0 284.197 3.433 20 10 CGCDRO CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)CS1 ZINC000754119494 623811910 /nfs/dbraw/zinc/81/19/10/623811910.db2.gz CMAACCRSFBYVBK-HOCLYGCPSA-N 1 0 277.433 3.241 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)c1 ZINC000754799337 623955522 /nfs/dbraw/zinc/95/55/22/623955522.db2.gz UDFFJHJCBIXCCV-MRXNPFEDSA-N 1 0 289.419 3.258 20 10 CGCDRO CCOc1ccc(O)c(C[N@H+](CC)CC(C)C)c1 ZINC000153694542 624022077 /nfs/dbraw/zinc/02/20/77/624022077.db2.gz KPODKCMBUYQCPI-UHFFFAOYSA-N 1 0 251.370 3.269 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(-n2cccn2)cc1)c1ccccc1O ZINC000154056072 624176547 /nfs/dbraw/zinc/17/65/47/624176547.db2.gz PASAYCRMAQKSLI-AWEZNQCLSA-N 1 0 293.370 3.429 20 10 CGCDRO CC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000154141443 624208089 /nfs/dbraw/zinc/20/80/89/624208089.db2.gz NOXPYBQQIMXBFU-SJLPKXTDSA-N 1 0 288.435 3.192 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@H](C)CSC(C)(C)C)c1 ZINC000089725869 624256057 /nfs/dbraw/zinc/25/60/57/624256057.db2.gz CPWODKMEIILOHC-LLVKDONJSA-N 1 0 283.437 3.411 20 10 CGCDRO Oc1ccc2ccncc2c1C[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000917473276 624272165 /nfs/dbraw/zinc/27/21/65/624272165.db2.gz OFWZWDHAMLMIGY-SJLPKXTDSA-N 1 0 298.386 3.084 20 10 CGCDRO CC[N@H+](CCOC)Cc1c(O)ccc2ccc(OC)cc21 ZINC000921046979 624565273 /nfs/dbraw/zinc/56/52/73/624565273.db2.gz RBDUKYYEALPIIU-UHFFFAOYSA-N 1 0 289.375 3.022 20 10 CGCDRO CCS[C@@H]1CC[C@@H]([N@H+](C)Cc2ccccc2O)C1 ZINC000179584723 624665576 /nfs/dbraw/zinc/66/55/76/624665576.db2.gz NHUOJDGWVPCWOP-ZIAGYGMSSA-N 1 0 265.422 3.498 20 10 CGCDRO CCS[C@H]1CC[C@@H]([N@H+](C)Cc2ccccc2O)C1 ZINC000179584730 624665702 /nfs/dbraw/zinc/66/57/02/624665702.db2.gz NHUOJDGWVPCWOP-KGLIPLIRSA-N 1 0 265.422 3.498 20 10 CGCDRO Cc1ccc(OCC[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000179873731 624691223 /nfs/dbraw/zinc/69/12/23/624691223.db2.gz LKUGULLXHDMIDS-CQSZACIVSA-N 1 0 271.360 3.430 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(Cl)nc1)c1ccccc1O ZINC000179887708 624694620 /nfs/dbraw/zinc/69/46/20/624694620.db2.gz WLOMYMYJWQUTAQ-SNVBAGLBSA-N 1 0 262.740 3.291 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CC2(OC)CCC2)cc1 ZINC000180197706 624725841 /nfs/dbraw/zinc/72/58/41/624725841.db2.gz TWJDJNYFWGJCKD-AWEZNQCLSA-N 1 0 276.424 3.362 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCc3cc(F)ccc3C2)c1 ZINC000181445261 624860805 /nfs/dbraw/zinc/86/08/05/624860805.db2.gz QXCBIEIAFRJWLJ-UHFFFAOYSA-N 1 0 271.335 3.398 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccn(C(C)C)n2)c1 ZINC000182465519 625003588 /nfs/dbraw/zinc/00/35/88/625003588.db2.gz PSTVWOCQCQFQHN-LBPRGKRZSA-N 1 0 289.379 3.029 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000183209127 625052436 /nfs/dbraw/zinc/05/24/36/625052436.db2.gz GTQDIXLDMCKYPE-MRXNPFEDSA-N 1 0 287.334 3.185 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]CC2(N(C)C)CCCCC2)c1 ZINC000071406309 625086032 /nfs/dbraw/zinc/08/60/32/625086032.db2.gz YXESFWZREKMHOG-UHFFFAOYSA-N 1 0 276.424 3.055 20 10 CGCDRO CC(C)[C@H]1OCCC[C@H]1C[NH2+][C@@H](C)c1ccccc1O ZINC000183614696 625097015 /nfs/dbraw/zinc/09/70/15/625097015.db2.gz GPYAEVMHVXXERJ-GRDNDAEWSA-N 1 0 277.408 3.494 20 10 CGCDRO Cc1cncc(C[NH2+][C@H](C)c2cc(F)ccc2O)c1 ZINC000186192068 625749025 /nfs/dbraw/zinc/74/90/25/625749025.db2.gz CDHBQIAWTXPRNU-LLVKDONJSA-N 1 0 260.312 3.086 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCOC[C@@H]2C)cc1C(C)C ZINC000073586303 625799826 /nfs/dbraw/zinc/79/98/26/625799826.db2.gz ZIATZXFKJBHQEX-ZDUSSCGKSA-N 1 0 263.381 3.045 20 10 CGCDRO COc1ccc(C[NH2+]Cc2cnn(CC3CCC3)c2)cc1C ZINC000921651475 625807153 /nfs/dbraw/zinc/80/71/53/625807153.db2.gz LJOJNISDQMVCGA-UHFFFAOYSA-N 1 0 299.418 3.290 20 10 CGCDRO c1cc2c(cc1C[NH2+]CCC[C@H]1CCCCO1)CCCO2 ZINC000922000434 625957144 /nfs/dbraw/zinc/95/71/44/625957144.db2.gz PNUKSAGCGPJPER-QGZVFWFLSA-N 1 0 289.419 3.451 20 10 CGCDRO C[C@H](CC(F)(F)F)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922002826 625959554 /nfs/dbraw/zinc/95/95/54/625959554.db2.gz URESDBGSBFLIBQ-SNVBAGLBSA-N 1 0 273.298 3.442 20 10 CGCDRO Cc1ccncc1CC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922239024 625987949 /nfs/dbraw/zinc/98/79/49/625987949.db2.gz BMPYGZIBGODAQS-UHFFFAOYSA-N 1 0 282.387 3.047 20 10 CGCDRO CCO[C@H]1CCC[C@H]([NH2+]Cc2cc(C)ccc2O)C1 ZINC000922285657 625993285 /nfs/dbraw/zinc/99/32/85/625993285.db2.gz OAOAKNYUOGRKTC-GJZGRUSLSA-N 1 0 263.381 3.138 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)[C@@H]1CCCOC1 ZINC000922335405 625999487 /nfs/dbraw/zinc/99/94/87/625999487.db2.gz RUIDCOZNLABNMH-SJORKVTESA-N 1 0 289.419 3.306 20 10 CGCDRO C[C@H]1[C@@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)CCN1C ZINC000922557448 626013075 /nfs/dbraw/zinc/01/30/75/626013075.db2.gz OHSYWVWCDLMTOP-KSSFIOAISA-N 1 0 296.414 3.241 20 10 CGCDRO C[C@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2O)CCS1 ZINC000922843337 626056277 /nfs/dbraw/zinc/05/62/77/626056277.db2.gz QASBUCHZGWTIBR-JOYOIKCWSA-N 1 0 271.813 3.419 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)cc1C ZINC000922891325 626070972 /nfs/dbraw/zinc/07/09/72/626070972.db2.gz HWRNIFAYMLRWDG-AEFFLSMTSA-N 1 0 289.419 3.298 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H]2c3ccccc3CC[C@H]2O)cc1C ZINC000922991179 626116538 /nfs/dbraw/zinc/11/65/38/626116538.db2.gz UYZIXLNPHOQUDL-MJGOQNOKSA-N 1 0 297.398 3.147 20 10 CGCDRO CC[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccc(F)cc1[O-] ZINC000840808751 626189787 /nfs/dbraw/zinc/18/97/87/626189787.db2.gz DTOAAMXSDQHGDB-CJNGLKHVSA-N 1 0 294.414 3.304 20 10 CGCDRO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc2ccccc2c1O ZINC000839128844 626321398 /nfs/dbraw/zinc/32/13/98/626321398.db2.gz GOHFUNUHBGBZJF-GASCZTMLSA-N 1 0 281.355 3.241 20 10 CGCDRO C[C@H]([NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)c1ccn(C)n1 ZINC000840818806 626322296 /nfs/dbraw/zinc/32/22/96/626322296.db2.gz ZSWVKTAODHHYMS-STQMWFEESA-N 1 0 299.418 3.416 20 10 CGCDRO Cc1cc(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)ccc1N(C)C ZINC000839195738 626331692 /nfs/dbraw/zinc/33/16/92/626331692.db2.gz GNVRRSDPRDNSIB-PMPSAXMXSA-N 1 0 258.409 3.339 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+][C@@]2(C)CCO[C@@H]2C2CC2)c1O ZINC000753596034 626457550 /nfs/dbraw/zinc/45/75/50/626457550.db2.gz SMLHAORGTOBFCR-CVEARBPZSA-N 1 0 295.810 3.401 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@H]2C(C)C)c1O ZINC000754723425 626584650 /nfs/dbraw/zinc/58/46/50/626584650.db2.gz SDJUPWSTPFPADP-AWEZNQCLSA-N 1 0 263.381 3.330 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@H+](C)CCOC(C)(C)C)c1 ZINC000754739582 626585739 /nfs/dbraw/zinc/58/57/39/626585739.db2.gz DLJVOOPMGUMHCO-UHFFFAOYSA-N 1 0 265.397 3.256 20 10 CGCDRO Cc1cc(CC[NH2+][C@@H]2CCOC2)c(C)n1-c1ccccc1 ZINC000756103786 626677274 /nfs/dbraw/zinc/67/72/74/626677274.db2.gz UELCBJQBMYIMBU-QGZVFWFLSA-N 1 0 284.403 3.015 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCCN(C)C1)c1cc2c(cc1O)CCCC2 ZINC000756445129 626706290 /nfs/dbraw/zinc/70/62/90/626706290.db2.gz KJLDZNCWVDENNF-CZUORRHYSA-N 1 0 288.435 3.016 20 10 CGCDRO C[C@H]1C[C@H]([NH2+]CC2CCOCC2)c2c1c(F)ccc2O ZINC000756510493 626711417 /nfs/dbraw/zinc/71/14/17/626711417.db2.gz JBGJRUDPXPFGNQ-GWCFXTLKSA-N 1 0 279.355 3.096 20 10 CGCDRO CC(C)c1cc(C[NH2+][C@@H](C)c2cc(F)ccc2O)on1 ZINC000756573891 626717065 /nfs/dbraw/zinc/71/70/65/626717065.db2.gz STGQAFGGAFNWDE-JTQLQIEISA-N 1 0 278.327 3.494 20 10 CGCDRO CSC[C@H](C)[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756585497 626718767 /nfs/dbraw/zinc/71/87/67/626718767.db2.gz KORBRGDJGWYTSV-QXEWZRGKSA-N 1 0 269.385 3.421 20 10 CGCDRO CC[C@H](COC)[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756591143 626718800 /nfs/dbraw/zinc/71/88/00/626718800.db2.gz FDTTTWNPHAYDRA-FOGDFJRCSA-N 1 0 267.344 3.094 20 10 CGCDRO COC[C@H]([NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F)C(C)C ZINC000756597026 626719380 /nfs/dbraw/zinc/71/93/80/626719380.db2.gz JGSGJFLZZAIPRF-UHTWSYAYSA-N 1 0 281.371 3.340 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H](C)c1ccncc1)c1cc(F)ccc1O ZINC000756632253 626722200 /nfs/dbraw/zinc/72/22/00/626722200.db2.gz BDMMVAOIUYNCCN-VXGBXAGGSA-N 1 0 274.339 3.381 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)C[C@H]2CCOC2)c1 ZINC000756645720 626724013 /nfs/dbraw/zinc/72/40/13/626724013.db2.gz JLNXVPCPWQTMBI-HZSPNIEDSA-N 1 0 263.381 3.166 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCCO2)c2c1c(F)ccc2O ZINC000756644957 626724264 /nfs/dbraw/zinc/72/42/64/626724264.db2.gz GRYCUTZKZNJNLM-XAGWURHQSA-N 1 0 279.355 3.238 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C[C@H]2CCOC2)c(O)c1 ZINC000756647844 626724292 /nfs/dbraw/zinc/72/42/92/626724292.db2.gz WCOGYECGPCFNJE-HZSPNIEDSA-N 1 0 263.381 3.166 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]CCc2cscn2)c2c1c(F)ccc2O ZINC000756660194 626725239 /nfs/dbraw/zinc/72/52/39/626725239.db2.gz KWHVGIXYBGBMQB-BXKDBHETSA-N 1 0 292.379 3.368 20 10 CGCDRO CCC1(O)CCC([NH2+][C@@H](C)c2cc(C)ccc2O)CC1 ZINC000756675061 626726371 /nfs/dbraw/zinc/72/63/71/626726371.db2.gz FBWKYNNJXRLRHB-CBCUQQMYSA-N 1 0 277.408 3.435 20 10 CGCDRO CCC1(O)CCC([NH2+][C@H](C)c2ccc(C)cc2O)CC1 ZINC000756674734 626726709 /nfs/dbraw/zinc/72/67/09/626726709.db2.gz ATUANTJCIMALPD-TUBUQKNSSA-N 1 0 277.408 3.435 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](CO)c2cccc(F)c2)c(O)c1 ZINC000756711490 626727188 /nfs/dbraw/zinc/72/71/88/626727188.db2.gz LKJJXVJQNZWMJZ-WBMJQRKESA-N 1 0 289.350 3.224 20 10 CGCDRO C[C@@H]([NH2+][C@@H](CCO)C1CC1)c1cc2c(cc1O)CCCC2 ZINC000756741231 626729159 /nfs/dbraw/zinc/72/91/59/626729159.db2.gz WIEAAOUZAYVDNN-PXAZEXFGSA-N 1 0 289.419 3.083 20 10 CGCDRO Cc1ncc(CC[NH2+][C@H](C)c2ccc(C)cc2O)s1 ZINC000756762076 626729708 /nfs/dbraw/zinc/72/97/08/626729708.db2.gz SPDSVLOAQJTFBM-LLVKDONJSA-N 1 0 276.405 3.359 20 10 CGCDRO COCCC1(C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)CC1 ZINC000756762446 626729717 /nfs/dbraw/zinc/72/97/17/626729717.db2.gz ZZINHUSMLHKQLR-WCQYABFASA-N 1 0 293.382 3.486 20 10 CGCDRO C[C@H]([NH2+]CC1(CCO)CCC1)c1cc(Cl)ccc1O ZINC000756765111 626729804 /nfs/dbraw/zinc/72/98/04/626729804.db2.gz OGKAXPKBIOKDPE-NSHDSACASA-N 1 0 283.799 3.249 20 10 CGCDRO C[C@H]([NH2+][C@H]1CC[C@H](O)CC1)c1cc2c(cc1O)CCCC2 ZINC000756771276 626730393 /nfs/dbraw/zinc/73/03/93/626730393.db2.gz UABLYJMVMUZDQH-RCBQFDQVSA-N 1 0 289.419 3.225 20 10 CGCDRO CC(C)[C@@H](O)C1(C[NH2+][C@@H](C)c2cc(Cl)ccc2O)CC1 ZINC000756789614 626732568 /nfs/dbraw/zinc/73/25/68/626732568.db2.gz HUSJLBSJULUBEW-XHDPSFHLSA-N 1 0 297.826 3.493 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)cc1C ZINC000756880035 626739074 /nfs/dbraw/zinc/73/90/74/626739074.db2.gz DXYUYZLPXJVVIZ-ZBFHGGJFSA-N 1 0 275.392 3.010 20 10 CGCDRO CCOc1cccc(C[NH2+]CC23CCC(CC2)C3)c1O ZINC000756989908 626745242 /nfs/dbraw/zinc/74/52/42/626745242.db2.gz NLPUSHZGQRRHEO-UHFFFAOYSA-N 1 0 275.392 3.461 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)c(O)c1 ZINC000763525677 627163593 /nfs/dbraw/zinc/16/35/93/627163593.db2.gz LHQNSHDNOLQXQO-XJKSGUPXSA-N 1 0 293.407 3.084 20 10 CGCDRO COc1cccc(O)c1C[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000763533283 627164110 /nfs/dbraw/zinc/16/41/10/627164110.db2.gz ZUXBFVSKUOJAAH-MLGOLLRUSA-N 1 0 293.407 3.084 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H](C)Cc2cnccn2)cc1 ZINC000765442366 627249848 /nfs/dbraw/zinc/24/98/48/627249848.db2.gz UOHDDNWSIDPJPQ-HUUCEWRRSA-N 1 0 298.434 3.215 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCN(C3CC3)C2)cc1 ZINC000765780718 627270028 /nfs/dbraw/zinc/27/00/28/627270028.db2.gz KOCGFMSKWSWKQL-GOEBONIOSA-N 1 0 287.451 3.030 20 10 CGCDRO Oc1ccccc1C[N@H+](CCCF)C1CCCC1 ZINC000766071351 627292617 /nfs/dbraw/zinc/29/26/17/627292617.db2.gz XAXWROOBPZQUKR-UHFFFAOYSA-N 1 0 251.345 3.496 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2C[C@H](OC(C)C)C2(C)C)c1 ZINC000766091320 627294867 /nfs/dbraw/zinc/29/48/67/627294867.db2.gz XNPKKKGSSINYMQ-CVEARBPZSA-N 1 0 277.408 3.382 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCN(C)[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000766165937 627301033 /nfs/dbraw/zinc/30/10/33/627301033.db2.gz MTULGFBMKLCAQU-ZVZYQTTQSA-N 1 0 289.467 3.276 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCN2CCC[C@@H]2C)cc1 ZINC000766273548 627310928 /nfs/dbraw/zinc/31/09/28/627310928.db2.gz QGQIQUOVBAPMNH-JKSUJKDBSA-N 1 0 289.467 3.278 20 10 CGCDRO CCCCCn1cc(C[NH2+]Cc2ccccc2O)c(C)n1 ZINC000767427226 627407638 /nfs/dbraw/zinc/40/76/38/627407638.db2.gz RSGKIZIBSUTYIR-UHFFFAOYSA-N 1 0 287.407 3.377 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@H]1c1cccn1C ZINC000768196424 627467863 /nfs/dbraw/zinc/46/78/63/627467863.db2.gz CYRRRXPNILNXJJ-HNNXBMFYSA-N 1 0 286.375 3.076 20 10 CGCDRO CCN(CC)c1ccc(C[NH+]2CCSCC2)cc1F ZINC000768236257 627469867 /nfs/dbraw/zinc/46/98/67/627469867.db2.gz DNHAOIOHZBCLDE-UHFFFAOYSA-N 1 0 282.428 3.221 20 10 CGCDRO COc1cc(C[N@H+](C)[C@H](C)C2(C)CC2)c(O)cc1C ZINC000768463750 627481407 /nfs/dbraw/zinc/48/14/07/627481407.db2.gz LUAGOXBIPXKYBX-GFCCVEGCSA-N 1 0 263.381 3.330 20 10 CGCDRO Cc1occc1C[N@@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000769061403 627520317 /nfs/dbraw/zinc/52/03/17/627520317.db2.gz QPLKVFUNPXUNBM-UHFFFAOYSA-N 1 0 276.355 3.425 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C[C@@H](C)O)C(C)C)cc1F ZINC000769343744 627544413 /nfs/dbraw/zinc/54/44/13/627544413.db2.gz UDPUJOZEESJARM-CQSZACIVSA-N 1 0 296.430 3.263 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CCS[C@H](CC)C2)c(O)c1 ZINC000769445156 627552902 /nfs/dbraw/zinc/55/29/02/627552902.db2.gz FQZCHRSLOCJTGM-CQSZACIVSA-N 1 0 281.421 3.118 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCCOC[C@@H]2C)cc1F ZINC000769456237 627555003 /nfs/dbraw/zinc/55/50/03/627555003.db2.gz HOXYVEIGDZVXED-AWEZNQCLSA-N 1 0 294.414 3.283 20 10 CGCDRO COCC[N@H+](CCc1ccccc1)Cc1ccccc1O ZINC000770510161 627623723 /nfs/dbraw/zinc/62/37/23/627623723.db2.gz ZZHRHUINBOMULI-UHFFFAOYSA-N 1 0 285.387 3.083 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCSC(C)(C)C2)cc1 ZINC000773756935 627911707 /nfs/dbraw/zinc/91/17/07/627911707.db2.gz XPPIGPFRAAVTMN-UHFFFAOYSA-N 1 0 278.465 3.470 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)cc1 ZINC000773783765 627915346 /nfs/dbraw/zinc/91/53/46/627915346.db2.gz FGVUJEZMDLSQRY-IRXDYDNUSA-N 1 0 288.435 3.001 20 10 CGCDRO CCN(C)c1ccc(C[NH2+][C@@H](CO)c2ccsc2)cc1 ZINC000773862027 627921216 /nfs/dbraw/zinc/92/12/16/627921216.db2.gz YAJYIZSODWDZDW-INIZCTEOSA-N 1 0 290.432 3.027 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCN2CCCC(C)(C)C2)c(O)c1 ZINC000774489845 627997675 /nfs/dbraw/zinc/99/76/75/627997675.db2.gz VOAOEYPPMBLCII-HNNXBMFYSA-N 1 0 290.451 3.473 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCOCC3(CCCC3)C2)cc1C ZINC000774651493 628011825 /nfs/dbraw/zinc/01/18/25/628011825.db2.gz JWMOLQIWBJCIOB-UHFFFAOYSA-N 1 0 289.419 3.402 20 10 CGCDRO C=Cn1cc(C[N@@H+](C)Cc2ccc(N(CC)CC)cc2)cn1 ZINC000774821892 628035252 /nfs/dbraw/zinc/03/52/52/628035252.db2.gz VBPMXNQXVFSWKW-UHFFFAOYSA-N 1 0 298.434 3.462 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H](C1CC1)N(C)C)c1cc(Cl)ccc1O ZINC000775493943 628101204 /nfs/dbraw/zinc/10/12/04/628101204.db2.gz WUKMGSLSOJHYII-CABCVRRESA-N 1 0 296.842 3.427 20 10 CGCDRO CC[C@@H](CCO)C[NH2+][C@@H](CC)c1cc(Cl)ccc1O ZINC000775513906 628102538 /nfs/dbraw/zinc/10/25/38/628102538.db2.gz WFANCYIMARHQEL-FZMZJTMJSA-N 1 0 285.815 3.495 20 10 CGCDRO CC[C@H](O)CC[NH2+][C@@H](CC)c1cc(Cl)ccc1O ZINC000775513979 628102744 /nfs/dbraw/zinc/10/27/44/628102744.db2.gz PTTFPOZYOBIUOV-AAEUAGOBSA-N 1 0 271.788 3.247 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H](C)CCO)c1cc(Cl)ccc1O ZINC000775514328 628103161 /nfs/dbraw/zinc/10/31/61/628103161.db2.gz ZACPOGKAOZSIGX-ZWNOBZJWSA-N 1 0 271.788 3.105 20 10 CGCDRO CC[C@@H]([NH2+][C@H](CO)c1ccsc1)c1ccccc1O ZINC000775553337 628105974 /nfs/dbraw/zinc/10/59/74/628105974.db2.gz ASGJHSDUCYYRLD-ZIAGYGMSSA-N 1 0 277.389 3.228 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1O ZINC000775697813 628126252 /nfs/dbraw/zinc/12/62/52/628126252.db2.gz ICYBAVVREXOEFK-UHFFFAOYSA-N 1 0 298.342 3.167 20 10 CGCDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cccc(C)c2O)C1(C)C ZINC000775715075 628128458 /nfs/dbraw/zinc/12/84/58/628128458.db2.gz BHFBLFNGKOUKOE-HUUCEWRRSA-N 1 0 277.408 3.336 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)nc1 ZINC000775834031 628141046 /nfs/dbraw/zinc/14/10/46/628141046.db2.gz JCJZZXLPYKXEOQ-ZDUSSCGKSA-N 1 0 285.391 3.007 20 10 CGCDRO CCO[C@H]1C[C@@H]([NH2+]Cc2c(O)cccc2Cl)C12CCC2 ZINC000776176991 628176666 /nfs/dbraw/zinc/17/66/66/628176666.db2.gz HPSHZVGMPQOVRC-CABCVRRESA-N 1 0 295.810 3.483 20 10 CGCDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]Cc2cc(Cl)ccc2O)C1(C)C ZINC000776499724 628214950 /nfs/dbraw/zinc/21/49/50/628214950.db2.gz XTWTUODQZFGSAX-OWYVNGRQSA-N 1 0 283.799 3.195 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCO[C@H](C(C)C)C1 ZINC000777436241 628269915 /nfs/dbraw/zinc/26/99/15/628269915.db2.gz NRUJXUYCQKIVTI-WMZOPIPTSA-N 1 0 290.451 3.354 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2c(O)ccc3ccncc32)C[C@H]1F ZINC000777965511 628316500 /nfs/dbraw/zinc/31/65/00/628316500.db2.gz WZKIOESJEZUMBD-IAQYHMDHSA-N 1 0 274.339 3.120 20 10 CGCDRO C[C@H]1CC[N@H+](Cc2c(O)ccc3ccncc32)C[C@H]1F ZINC000777965514 628317024 /nfs/dbraw/zinc/31/70/24/628317024.db2.gz WZKIOESJEZUMBD-XHDPSFHLSA-N 1 0 274.339 3.120 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(F)nc1)c1ccc(N(C)C)cc1 ZINC000778176185 628331696 /nfs/dbraw/zinc/33/16/96/628331696.db2.gz AVPOOPTWDPMKGC-GFCCVEGCSA-N 1 0 273.355 3.138 20 10 CGCDRO CC(C)[N@H+](Cc1ccccn1)Cc1cc(F)ccc1O ZINC000779000477 628380914 /nfs/dbraw/zinc/38/09/14/628380914.db2.gz YCFMJIWOXPFNGI-UHFFFAOYSA-N 1 0 274.339 3.337 20 10 CGCDRO CCOC[C@H](C)[NH2+][C@H](C)c1ccc(N(C)CC)cc1 ZINC000779075213 628387368 /nfs/dbraw/zinc/38/73/68/628387368.db2.gz WYIDZCDLVMRULN-UONOGXRCSA-N 1 0 264.413 3.218 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2CCO)c2c1c(F)ccc2O ZINC000779088337 628388387 /nfs/dbraw/zinc/38/83/87/628388387.db2.gz MSAMHKNJIATQPW-RFHZTLPTSA-N 1 0 293.382 3.220 20 10 CGCDRO CCC(CC)[C@@H](CC[NH2+]Cc1cc(F)ccc1O)OC ZINC000779101770 628388717 /nfs/dbraw/zinc/38/87/17/628388717.db2.gz FYFIBQCLPNNASU-MRXNPFEDSA-N 1 0 283.387 3.462 20 10 CGCDRO Oc1cccc(Cl)c1C[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000779189991 628393325 /nfs/dbraw/zinc/39/33/25/628393325.db2.gz VDSQWCGZTGQMQI-CYBMUJFWSA-N 1 0 295.810 3.437 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](C(C)C)C2)cc1OC ZINC000780499496 628493236 /nfs/dbraw/zinc/49/32/36/628493236.db2.gz SIYQSYSVRHNWNC-CYBMUJFWSA-N 1 0 293.407 3.277 20 10 CGCDRO CCC[C@H](C)[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000782192248 628622617 /nfs/dbraw/zinc/62/26/17/628622617.db2.gz AHOFFUYJUJBWRI-HNNXBMFYSA-N 1 0 276.424 3.396 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1CCC=CO1)c1cc(Cl)ccc1O ZINC000783310209 628702266 /nfs/dbraw/zinc/70/22/66/628702266.db2.gz LPRNMBCWXSPVMC-PWSUYJOCSA-N 1 0 267.756 3.389 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC=CO2)c2c1c(F)ccc2O ZINC000783310647 628702404 /nfs/dbraw/zinc/70/24/04/628702404.db2.gz QVNYKBFSFYHKAC-NTZNESFSSA-N 1 0 277.339 3.362 20 10 CGCDRO CCOC(C)(C)C[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000783313433 628703142 /nfs/dbraw/zinc/70/31/42/628703142.db2.gz RDAXMPDQKLJZLZ-ZYHUDNBSSA-N 1 0 281.371 3.484 20 10 CGCDRO C[C@@H]([NH2+]CCN1c2ccccc2C[C@@H]1C)c1ccccc1O ZINC000783505133 628718794 /nfs/dbraw/zinc/71/87/94/628718794.db2.gz MAMJKTRVYLBLDY-LSDHHAIUSA-N 1 0 296.414 3.494 20 10 CGCDRO C[C@@H]([NH2+]CCNc1ccccc1)c1ccccc1O ZINC000783519953 628720814 /nfs/dbraw/zinc/72/08/14/628720814.db2.gz NNYNKUSPIDAOQF-CYBMUJFWSA-N 1 0 256.349 3.155 20 10 CGCDRO C[C@H]([NH2+]CCNc1ccccc1)c1ccccc1O ZINC000783519955 628720965 /nfs/dbraw/zinc/72/09/65/628720965.db2.gz NNYNKUSPIDAOQF-ZDUSSCGKSA-N 1 0 256.349 3.155 20 10 CGCDRO C[C@H](O)C[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000783535592 628723427 /nfs/dbraw/zinc/72/34/27/628723427.db2.gz HSOXHNVTKRHKDP-JYJNAYRXSA-N 1 0 290.451 3.487 20 10 CGCDRO CCC[N@H+](CC[C@H]1CCOC1)Cc1ccccc1O ZINC000783554643 628725072 /nfs/dbraw/zinc/72/50/72/628725072.db2.gz DBCZQEOCSJJNRE-AWEZNQCLSA-N 1 0 263.381 3.031 20 10 CGCDRO COc1ccc(O)c(C[NH2+]Cc2scnc2C2CC2)c1 ZINC000785469503 628864302 /nfs/dbraw/zinc/86/43/02/628864302.db2.gz SEWCNLOXOAFDKS-UHFFFAOYSA-N 1 0 290.388 3.025 20 10 CGCDRO Cc1nc(F)ccc1C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000785511961 628868649 /nfs/dbraw/zinc/86/86/49/628868649.db2.gz PRSXEAPWTYQTJJ-GFCCVEGCSA-N 1 0 287.382 3.446 20 10 CGCDRO Cc1cc(C)c(O)c(C[NH+]2CC(C)(C)OC(C)(C)C2)c1 ZINC000785515139 628869083 /nfs/dbraw/zinc/86/90/83/628869083.db2.gz LZUDWDNXAPNFOZ-UHFFFAOYSA-N 1 0 277.408 3.398 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2cccc3cc[nH]c32)c1 ZINC000786159841 628916840 /nfs/dbraw/zinc/91/68/40/628916840.db2.gz CFWVMHWBUNHYJU-UHFFFAOYSA-N 1 0 266.344 3.472 20 10 CGCDRO Cc1ccc([C@H](O)C[NH2+][C@H](C)c2c(C)cc(C)cc2O)o1 ZINC000788603966 629068492 /nfs/dbraw/zinc/06/84/92/629068492.db2.gz ROCJGVMPRSKEEU-UKRRQHHQSA-N 1 0 289.375 3.295 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCOC(F)(F)F)c(O)c1C ZINC000788980231 629093231 /nfs/dbraw/zinc/09/32/31/629093231.db2.gz LQPREWFCGFCXKC-JTQLQIEISA-N 1 0 277.286 3.196 20 10 CGCDRO Oc1ccc2ccncc2c1C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000789508832 629141428 /nfs/dbraw/zinc/14/14/28/629141428.db2.gz SDPGQDCRBGQTIO-SJLPKXTDSA-N 1 0 298.386 3.084 20 10 CGCDRO Cc1ccc(C[N@@H+](C)Cc2ccc(N(C)C)c(F)c2)nc1 ZINC000789593885 629149181 /nfs/dbraw/zinc/14/91/81/629149181.db2.gz BTUATRPMBCBYRE-UHFFFAOYSA-N 1 0 287.382 3.227 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)Cc2cccc3n[nH]cc32)cc1 ZINC000862210887 629322992 /nfs/dbraw/zinc/32/29/92/629322992.db2.gz ZKARHCMWXWHTPC-UHFFFAOYSA-N 1 0 294.402 3.261 20 10 CGCDRO CCOc1ccc(C[NH2+]CCCC(C)(C)COC)c(O)c1 ZINC000808428209 629338417 /nfs/dbraw/zinc/33/84/17/629338417.db2.gz CLWFOFTWHXMBAL-UHFFFAOYSA-N 1 0 295.423 3.333 20 10 CGCDRO COCC[N@H+](Cc1cccc(OC)c1O)[C@@H]1CC[C@@H](C)C1 ZINC000792192825 629346859 /nfs/dbraw/zinc/34/68/59/629346859.db2.gz NZUNXUBAKHTSOM-UKRRQHHQSA-N 1 0 293.407 3.038 20 10 CGCDRO COc1cccc(O)c1C[NH+]1C[C@H](C)C(F)(F)[C@@H](C)C1 ZINC000862443978 629376767 /nfs/dbraw/zinc/37/67/67/629376767.db2.gz RLMXQRAYGGUSLT-QWRGUYRKSA-N 1 0 285.334 3.124 20 10 CGCDRO COc1cccc2c1C[N@H+](Cc1cccc(C)c1O)C2 ZINC000862529498 629390985 /nfs/dbraw/zinc/39/09/85/629390985.db2.gz MIBAVIKHJCGSKS-UHFFFAOYSA-N 1 0 269.344 3.225 20 10 CGCDRO Oc1c(C[NH2+][C@H]2CO[C@H](C3CC3)C2)ccc2ccccc21 ZINC000862530065 629392043 /nfs/dbraw/zinc/39/20/43/629392043.db2.gz ULJBEGDYHSIFHD-WBVHZDCISA-N 1 0 283.371 3.203 20 10 CGCDRO Oc1ccc2ccccc2c1C[N@@H+]1CCO[C@@H](CCF)C1 ZINC000862531483 629392103 /nfs/dbraw/zinc/39/21/03/629392103.db2.gz ZMSMMFWXANGCII-AWEZNQCLSA-N 1 0 289.350 3.106 20 10 CGCDRO COc1cccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H]2C)c1O ZINC000793232565 629433260 /nfs/dbraw/zinc/43/32/60/629433260.db2.gz YMWJDZHSDNMNBM-KOLCDFICSA-N 1 0 289.297 3.174 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H](CO)CC2CCC2)cc1 ZINC000793322706 629443525 /nfs/dbraw/zinc/44/35/25/629443525.db2.gz PEVDCQRAAIWVCY-KRWDZBQOSA-N 1 0 290.451 3.174 20 10 CGCDRO CCOc1ccc(O)c(C[NH+]2CCC(F)(F)CC2)c1 ZINC000793361750 629447925 /nfs/dbraw/zinc/44/79/25/629447925.db2.gz KVMVCEFGAUIRHK-UHFFFAOYSA-N 1 0 271.307 3.022 20 10 CGCDRO COc1cc(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c(O)cc1C ZINC000793543175 629480413 /nfs/dbraw/zinc/48/04/13/629480413.db2.gz GAWZEAPXOMVVFI-CABCVRRESA-N 1 0 297.345 3.186 20 10 CGCDRO CC[C@H]([NH2+]C[C@H]1CCC[C@@H](O)C1)c1ccc(C)cc1O ZINC000794800581 629578489 /nfs/dbraw/zinc/57/84/89/629578489.db2.gz DWVKNNXKFQTJAX-LZWOXQAQSA-N 1 0 277.408 3.292 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H](OC)C(C)C)c1ccc(C)cc1O ZINC000794804199 629579430 /nfs/dbraw/zinc/57/94/30/629579430.db2.gz TXIVWBDCRDOOFM-GDBMZVCRSA-N 1 0 265.397 3.412 20 10 CGCDRO CC[C@H]([NH2+]CCOC(F)(F)F)c1ccc(C)cc1O ZINC000794812010 629580212 /nfs/dbraw/zinc/58/02/12/629580212.db2.gz BESWIZZIEZVXBZ-NSHDSACASA-N 1 0 277.286 3.278 20 10 CGCDRO CC[C@@H]([NH2+]C[C@]1(C)CCCO1)c1ccc(C)cc1O ZINC000794811603 629580319 /nfs/dbraw/zinc/58/03/19/629580319.db2.gz SBOJURACTYKKOL-ZBFHGGJFSA-N 1 0 263.381 3.310 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+][C@H](CO)CC2CCC2)c2c1c(F)ccc2O ZINC000794833881 629584912 /nfs/dbraw/zinc/58/49/12/629584912.db2.gz MIPGTCWZWZPKOA-SCDSUCTJSA-N 1 0 293.382 3.220 20 10 CGCDRO COc1cc(C[NH+]2CCC3(CCC3)CC2)c(O)cc1C ZINC000795713721 629712001 /nfs/dbraw/zinc/71/20/01/629712001.db2.gz LCHRXAOVNKIOSA-UHFFFAOYSA-N 1 0 275.392 3.475 20 10 CGCDRO CO[C@H](C)C[N@H+](C)Cc1cc(C(C)C)c(C)cc1O ZINC000795750149 629713541 /nfs/dbraw/zinc/71/35/41/629713541.db2.gz JYEQXXOLENJAJO-CYBMUJFWSA-N 1 0 265.397 3.291 20 10 CGCDRO CCC[N@H+](Cc1ccccc1O)[C@H](CC(C)C)C(=O)OC ZINC000795925502 629726836 /nfs/dbraw/zinc/72/68/36/629726836.db2.gz HHMSNYPIBVXYOJ-OAHLLOKOSA-N 1 0 293.407 3.192 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC(C)=C(C)C2)c1 ZINC000796017180 629735839 /nfs/dbraw/zinc/73/58/39/629735839.db2.gz GMCWFEMNTDKYEG-UHFFFAOYSA-N 1 0 261.365 3.333 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C2(CCO)CCCC2)cc1 ZINC000796453596 629782888 /nfs/dbraw/zinc/78/28/88/629782888.db2.gz JRKUSAJXISFZSH-UHFFFAOYSA-N 1 0 290.451 3.318 20 10 CGCDRO CCc1ccc([C@H](O)C[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000796451781 629782930 /nfs/dbraw/zinc/78/29/30/629782930.db2.gz VHTHKNWYSMVCJM-GOSISDBHSA-N 1 0 297.398 3.007 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CSC[C@H]1C)c1ccc(C)cc1O ZINC000797065587 629881468 /nfs/dbraw/zinc/88/14/68/629881468.db2.gz MEKOJMRBHVFVFM-XBFCOCLRSA-N 1 0 265.422 3.493 20 10 CGCDRO CC1=C[C@@H](C)C[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000797416146 629944099 /nfs/dbraw/zinc/94/40/99/629944099.db2.gz GZPGBBRKJBXGSY-GFCCVEGCSA-N 1 0 257.377 3.279 20 10 CGCDRO CN(C)c1ccc(C[NH2+]Cc2ccc(C(F)F)nc2)cc1 ZINC000865404689 630105504 /nfs/dbraw/zinc/10/55/04/630105504.db2.gz RPLMPRVXLAAWRW-UHFFFAOYSA-N 1 0 291.345 3.375 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCCC[C@@H]2OC)c1 ZINC000799728645 630226219 /nfs/dbraw/zinc/22/62/19/630226219.db2.gz BWUORELRNWWERF-WPGHFRTFSA-N 1 0 279.380 3.009 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+]CC[C@H]2CCSC2)cc1 ZINC000865651897 630253040 /nfs/dbraw/zinc/25/30/40/630253040.db2.gz IVSQSNWQYKHNPQ-CWDCEQMOSA-N 1 0 290.476 3.499 20 10 CGCDRO CCC[C@H](CCO)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000865663558 630273662 /nfs/dbraw/zinc/27/36/62/630273662.db2.gz RZQOKAKMUCDXNJ-QGZVFWFLSA-N 1 0 290.451 3.318 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]CC(C)(C)C(F)(F)F)c1 ZINC000800888393 630309351 /nfs/dbraw/zinc/30/93/51/630309351.db2.gz AYWADVJLDDWCAT-UHFFFAOYSA-N 1 0 291.313 3.469 20 10 CGCDRO Cc1cc(C)cc([C@@H](O)C[NH2+]Cc2cc(C)c(C)cc2O)c1 ZINC000800897534 630310527 /nfs/dbraw/zinc/31/05/27/630310527.db2.gz KAQJRQMPNROTRQ-IBGZPJMESA-N 1 0 299.414 3.449 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000800971268 630314948 /nfs/dbraw/zinc/31/49/48/630314948.db2.gz IDESVDIWLZRXAZ-IAOVAPTHSA-N 1 0 258.409 3.339 20 10 CGCDRO CCCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)OCCC ZINC000801596663 630346677 /nfs/dbraw/zinc/34/66/77/630346677.db2.gz JBKSEUOHGCXMQM-CQSZACIVSA-N 1 0 293.407 3.336 20 10 CGCDRO C[C@@H]1CC(CC[NH2+]Cc2ccccc2O)C[C@@H](C)O1 ZINC000801732663 630354029 /nfs/dbraw/zinc/35/40/29/630354029.db2.gz SKZPYDZGEHMYSX-CHWSQXEVSA-N 1 0 263.381 3.076 20 10 CGCDRO COc1ccc(O)c(C[NH2+]CCC2C[C@H](C)O[C@@H](C)C2)c1 ZINC000802659849 630403915 /nfs/dbraw/zinc/40/39/15/630403915.db2.gz OBOVAZZGPHXVKN-STQMWFEESA-N 1 0 293.407 3.084 20 10 CGCDRO Oc1ccccc1C[NH2+]CC1([C@H]2CCCCO2)CCC1 ZINC000865726425 630506913 /nfs/dbraw/zinc/50/69/13/630506913.db2.gz NVGZUWZVYTYZSY-MRXNPFEDSA-N 1 0 275.392 3.221 20 10 CGCDRO C[C@H]1C[C@H]([NH2+]CC2=CCCOC2)c2c1c(F)ccc2O ZINC000806177597 630553458 /nfs/dbraw/zinc/55/34/58/630553458.db2.gz DLYUUXOUULSYJC-GWCFXTLKSA-N 1 0 277.339 3.016 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)c1O ZINC000840118195 630599704 /nfs/dbraw/zinc/59/97/04/630599704.db2.gz YGEDPXRZSWOLQJ-UEABVUSTSA-N 1 0 299.414 3.353 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@H](CO)C(C)C)cc1F ZINC000808422614 630643660 /nfs/dbraw/zinc/64/36/60/630643660.db2.gz WHAANKYXSVZESL-OAHLLOKOSA-N 1 0 296.430 3.026 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H]2CCCN2C)c1O ZINC000808680558 630663999 /nfs/dbraw/zinc/66/39/99/630663999.db2.gz LNTWJCVDBFIXET-AAEUAGOBSA-N 1 0 282.815 3.099 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CC(C)(C)CCO)c1O ZINC000808700966 630666571 /nfs/dbraw/zinc/66/65/71/630666571.db2.gz UUCFQBXJVKAAPB-NSHDSACASA-N 1 0 285.815 3.413 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+](CC2CCC2)[C@@H](C)CO)c1O ZINC000809664373 630778566 /nfs/dbraw/zinc/77/85/66/630778566.db2.gz DXMSPRJTFWACHC-LBPRGKRZSA-N 1 0 297.826 3.337 20 10 CGCDRO COc1cccc(C[NH2+]Cc2scnc2C2CC2)c1O ZINC000809739510 630796419 /nfs/dbraw/zinc/79/64/19/630796419.db2.gz MWPJJKBYPCAVTR-UHFFFAOYSA-N 1 0 290.388 3.025 20 10 CGCDRO C[N@@H+](Cc1cc(-c2ccccc2)ccc1O)C[C@@H](O)C1CC1 ZINC000809751208 630800916 /nfs/dbraw/zinc/80/09/16/630800916.db2.gz DUYXFWAHGLNKOK-LJQANCHMSA-N 1 0 297.398 3.262 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](C3CC3)C2)c1O ZINC000809786891 630808654 /nfs/dbraw/zinc/80/86/54/630808654.db2.gz NVASPRDVEVUXPG-CQSZACIVSA-N 1 0 275.392 3.413 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCCc3occc3C2)cc1F ZINC000809792341 630812124 /nfs/dbraw/zinc/81/21/24/630812124.db2.gz SGLOWNMRKXVANM-UHFFFAOYSA-N 1 0 288.366 3.433 20 10 CGCDRO CC[C@@H](CO)[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1O ZINC000810208525 630853538 /nfs/dbraw/zinc/85/35/38/630853538.db2.gz WJGWJLRDQFEYAT-JQWIXIFHSA-N 1 0 291.313 3.223 20 10 CGCDRO CC[C@@H]([NH2+][C@H](CO)C1CCCC1)c1ccc(C)cc1O ZINC000810259990 630861371 /nfs/dbraw/zinc/86/13/71/630861371.db2.gz ZKIFZOLRMIIKDP-HZPDHXFCSA-N 1 0 277.408 3.292 20 10 CGCDRO CCCN(CC)C[C@H](C)[NH2+][C@H](C)c1ccc(C)cc1O ZINC000810262051 630862344 /nfs/dbraw/zinc/86/23/44/630862344.db2.gz IUAKAQZYUWNTLT-LSDHHAIUSA-N 1 0 278.440 3.472 20 10 CGCDRO CCCN(CC)C[C@H](C)[NH2+][C@H](C)c1cc(C)ccc1O ZINC000810263785 630862522 /nfs/dbraw/zinc/86/25/22/630862522.db2.gz SWXJDSHYOTWFKT-LSDHHAIUSA-N 1 0 278.440 3.472 20 10 CGCDRO CC1(C)[C@H](O)CC[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000812778065 631307352 /nfs/dbraw/zinc/30/73/52/631307352.db2.gz AQBOEEIGXXNSIV-GOSISDBHSA-N 1 0 297.398 3.404 20 10 CGCDRO Cc1ccc(NC(=O)C[N@@H+](C)Cc2ccc(C)cc2O)cc1 ZINC000876528990 634852161 /nfs/dbraw/zinc/85/21/61/634852161.db2.gz CGHHPPVWXOJVOT-UHFFFAOYSA-N 1 0 298.386 3.080 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCSCC3)cc2)[C@@H]1C ZINC000813856039 631471450 /nfs/dbraw/zinc/47/14/50/631471450.db2.gz XKNGIMGWVUZXMZ-CKEIUWERSA-N 1 0 290.476 3.374 20 10 CGCDRO CC[C@@H]([NH2+]Cc1snnc1C)c1cc(Cl)ccc1O ZINC000813884656 631476565 /nfs/dbraw/zinc/47/65/65/631476565.db2.gz YBLYRWSYQUXSRL-LLVKDONJSA-N 1 0 297.811 3.446 20 10 CGCDRO CC[C@H]1CC[C@H]([NH2+]Cc2c(O)cccc2OC)CC1 ZINC000814300790 631569555 /nfs/dbraw/zinc/56/95/55/631569555.db2.gz RCUPRHSJWNZETR-JOCQHMNTSA-N 1 0 263.381 3.459 20 10 CGCDRO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000815052375 631707525 /nfs/dbraw/zinc/70/75/25/631707525.db2.gz MLDVEROOKBYEHW-ZWKOTPCHSA-N 1 0 290.451 3.186 20 10 CGCDRO Cc1cc(C[N@@H+]2CCOC3(CCCC3)C2)ccc1N(C)C ZINC000815062445 631710394 /nfs/dbraw/zinc/71/03/94/631710394.db2.gz UPTFTZGGWZXKPR-UHFFFAOYSA-N 1 0 288.435 3.206 20 10 CGCDRO Cc1cc(C[N@H+]2CC[C@H](C)C[C@H]2[C@H](C)O)ccc1N(C)C ZINC000815100818 631717581 /nfs/dbraw/zinc/71/75/81/631717581.db2.gz XNOFKKSRZFFIPH-YEWWUXTCSA-N 1 0 290.451 3.042 20 10 CGCDRO CO[C@H]1CC[N@H+](Cc2ccc(N(C)C)c(C)c2)[C@H](C)C1 ZINC000815107163 631718699 /nfs/dbraw/zinc/71/86/99/631718699.db2.gz HHCWLCBKRLHBGD-ZBFHGGJFSA-N 1 0 276.424 3.060 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCN2CCC[C@H](C)C2)c(O)c1 ZINC000815559730 631795353 /nfs/dbraw/zinc/79/53/53/631795353.db2.gz OVOBLDPJLXKKCV-BBRMVZONSA-N 1 0 290.451 3.392 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+][C@@H]2CCN(CC3CC3)C2)c(O)c1 ZINC000815578691 631799119 /nfs/dbraw/zinc/79/91/19/631799119.db2.gz TZUKOUHOXIJPRS-GDBMZVCRSA-N 1 0 288.435 3.144 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CC2(CCO)CCC2)c(O)c1 ZINC000815596845 631803319 /nfs/dbraw/zinc/80/33/19/631803319.db2.gz GGFQVUIUMZHUQU-CQSZACIVSA-N 1 0 277.408 3.212 20 10 CGCDRO CO[C@@H](C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O)C1CC1 ZINC000815651342 631812688 /nfs/dbraw/zinc/81/26/88/631812688.db2.gz QITSCNGXKVZPKF-HZMBPMFUSA-N 1 0 283.799 3.430 20 10 CGCDRO CC[N@H+](Cc1conc1C)Cc1ccc(N(C)C)cc1 ZINC000816480286 631986963 /nfs/dbraw/zinc/98/69/63/631986963.db2.gz IWBUESWGFHOIRF-UHFFFAOYSA-N 1 0 273.380 3.071 20 10 CGCDRO Oc1c(C[NH2+][C@H]2CCSC2)ccc2ccccc21 ZINC000816555205 632010721 /nfs/dbraw/zinc/01/07/21/632010721.db2.gz XBIBFUIICHZSKG-ZDUSSCGKSA-N 1 0 259.374 3.141 20 10 CGCDRO CC(C)(CCCO)C[NH2+]Cc1ccc2ccccc2c1O ZINC000816560393 632012587 /nfs/dbraw/zinc/01/25/87/632012587.db2.gz NFHARDOMONBOCN-UHFFFAOYSA-N 1 0 287.403 3.434 20 10 CGCDRO OCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc2ccccc2c1O ZINC000816575710 632016339 /nfs/dbraw/zinc/01/63/39/632016339.db2.gz WLPSXUMTYZUQCB-WMLDXEAASA-N 1 0 285.387 3.186 20 10 CGCDRO CN(C)C1(C[N@H+](C)Cc2ccc3ccccc3c2O)CCC1 ZINC000816586216 632017241 /nfs/dbraw/zinc/01/72/41/632017241.db2.gz CRSFIAHEDIZTCL-UHFFFAOYSA-N 1 0 298.430 3.462 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](O)C23CCCC3)c1O ZINC000816630551 632026284 /nfs/dbraw/zinc/02/62/84/632026284.db2.gz IREFFIZLVNFBRV-AWEZNQCLSA-N 1 0 295.810 3.233 20 10 CGCDRO Cc1cc(Br)cc(C[NH2+]CC[C@H](C)F)c1O ZINC000816643516 632030170 /nfs/dbraw/zinc/03/01/70/632030170.db2.gz HUMNVBQZBSIHOO-VIFPVBQESA-N 1 0 290.176 3.301 20 10 CGCDRO C[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2O)C[C@H](C)N1C ZINC000816653421 632038960 /nfs/dbraw/zinc/03/89/60/632038960.db2.gz RGEUOZCMBKGDCL-OKILXGFUSA-N 1 0 284.403 3.070 20 10 CGCDRO CC(C)[C@@]1(CO)CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000816662782 632040740 /nfs/dbraw/zinc/04/07/40/632040740.db2.gz YHTDVWDTBAJEAF-INIZCTEOSA-N 1 0 297.826 3.276 20 10 CGCDRO OCC[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)CC1 ZINC000817418891 632146402 /nfs/dbraw/zinc/14/64/02/632146402.db2.gz KHHVGDJQILFHKO-LBPRGKRZSA-N 1 0 283.799 3.030 20 10 CGCDRO C[C@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1ccsc1 ZINC000817938482 632239114 /nfs/dbraw/zinc/23/91/14/632239114.db2.gz LFBMRJHJGDVYPZ-LRDDRELGSA-N 1 0 289.448 3.165 20 10 CGCDRO CN(C)c1ccc([C@H](N)C[NH2+][C@@H]2CCCC23CCC3)cc1 ZINC000817941945 632240266 /nfs/dbraw/zinc/24/02/66/632240266.db2.gz LXDMQJFTALSBSK-IAGOWNOFSA-N 1 0 287.451 3.065 20 10 CGCDRO CC[C@H]([NH2+]C1CCC([NH3+])CC1)c1cccc(Cl)c1[O-] ZINC000817946597 632243622 /nfs/dbraw/zinc/24/36/22/632243622.db2.gz APSWUJCCZPZGCB-MGULZYLOSA-N 1 0 282.815 3.356 20 10 CGCDRO CC[NH2+]CCN[C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000817951176 632247953 /nfs/dbraw/zinc/24/79/53/632247953.db2.gz AOLSZOJOLNTWPJ-CQSZACIVSA-N 1 0 293.430 3.076 20 10 CGCDRO CCO[C@@H]1C[C@H]([NH2+]CCc2ccc(N)cc2)C12CCCC2 ZINC000817956822 632251921 /nfs/dbraw/zinc/25/19/21/632251921.db2.gz DOADEVIOYARFJJ-DLBZAZTESA-N 1 0 288.435 3.139 20 10 CGCDRO CC(C)C[C@@H](CN)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000817958738 632255295 /nfs/dbraw/zinc/25/52/95/632255295.db2.gz MDDYBSHJOKHUNA-BBRMVZONSA-N 1 0 290.451 3.295 20 10 CGCDRO C[C@H](NCC[NH2+]C1CCCCCC1)c1cc(F)ccc1O ZINC000817961003 632256443 /nfs/dbraw/zinc/25/64/43/632256443.db2.gz WCMIXXSMRSGIJA-ZDUSSCGKSA-N 1 0 294.414 3.494 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1cccc(Cl)c1[O-] ZINC000817970119 632262729 /nfs/dbraw/zinc/26/27/29/632262729.db2.gz LVVOPJUGZYNNSZ-MJVIPROJSA-N 1 0 282.815 3.356 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1cccc(Cl)c1[O-] ZINC000817970650 632263819 /nfs/dbraw/zinc/26/38/19/632263819.db2.gz BHXUCHLSSJTTQK-SUNKGSAMSA-N 1 0 282.815 3.227 20 10 CGCDRO CC[C@@H]([NH2+][C@H](C)CCC[NH3+])c1cccc(Cl)c1[O-] ZINC000817977441 632268545 /nfs/dbraw/zinc/26/85/45/632268545.db2.gz KJFUYHNCMHYVJR-ZWNOBZJWSA-N 1 0 270.804 3.214 20 10 CGCDRO C[C@H](CCC[NH3+])[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000817977825 632269013 /nfs/dbraw/zinc/26/90/13/632269013.db2.gz PYJPMJTUEFATEA-RKDXNWHRSA-N 1 0 291.222 3.477 20 10 CGCDRO CC[C@H]([NH3+])CN[C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000817979004 632269655 /nfs/dbraw/zinc/26/96/55/632269655.db2.gz GIRAGFHXEPQERB-ZFWWWQNUSA-N 1 0 293.430 3.204 20 10 CGCDRO CC[C@@H]([NH3+])CN[C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000817979003 632269931 /nfs/dbraw/zinc/26/99/31/632269931.db2.gz GIRAGFHXEPQERB-UKRRQHHQSA-N 1 0 293.430 3.204 20 10 CGCDRO CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817979888 632270719 /nfs/dbraw/zinc/27/07/19/632270719.db2.gz PZGCNRMIYYGDSC-HTQZYQBOSA-N 1 0 277.195 3.087 20 10 CGCDRO CC[C@@H]([NH3+])CN[C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000817978808 632270752 /nfs/dbraw/zinc/27/07/52/632270752.db2.gz DZJIFWBDWCNQBO-GDBMZVCRSA-N 1 0 275.440 3.065 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H](CN)C2CCCC2)c(O)c1C ZINC000817982009 632271523 /nfs/dbraw/zinc/27/15/23/632271523.db2.gz PCURCUILXSOYOX-CZUORRHYSA-N 1 0 276.424 3.177 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](CN)C1CCCC1)c1ccc(N(C)C)cc1 ZINC000817982686 632272788 /nfs/dbraw/zinc/27/27/88/632272788.db2.gz VLYRMILYHXIJIJ-MSOLQXFVSA-N 1 0 289.467 3.311 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)N[C@@H]2CCCC[NH2+]C2)c1O ZINC000817984075 632273328 /nfs/dbraw/zinc/27/33/28/632273328.db2.gz MNVKJJSLCFYJSR-DGCLKSJQSA-N 1 0 282.815 3.147 20 10 CGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)C3CCC3)C2)cc1 ZINC000818345621 632312015 /nfs/dbraw/zinc/31/20/15/632312015.db2.gz WOZDNGCJZSNEKX-HUUCEWRRSA-N 1 0 288.435 3.300 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cccc(Cl)c1[O-] ZINC000818614770 632341480 /nfs/dbraw/zinc/34/14/80/632341480.db2.gz GDTJQKRREDTYCY-HZSPNIEDSA-N 1 0 282.815 3.356 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H](O)CC1CCCC1 ZINC000819078443 632375293 /nfs/dbraw/zinc/37/52/93/632375293.db2.gz VJLQQNWRWZDSGJ-GOSISDBHSA-N 1 0 290.451 3.092 20 10 CGCDRO CCOc1ccc(C[NH2+]C(C)(C)[C@H]2CCCCO2)c(O)c1 ZINC000865746821 632876579 /nfs/dbraw/zinc/87/65/79/632876579.db2.gz PRQYFBJFTPWIOY-MRXNPFEDSA-N 1 0 293.407 3.228 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000822530067 632963105 /nfs/dbraw/zinc/96/31/05/632963105.db2.gz PHAQZZKJKDJFQE-KRWDZBQOSA-N 1 0 287.403 3.173 20 10 CGCDRO C[C@H](CCc1cccnc1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000866252833 633046920 /nfs/dbraw/zinc/04/69/20/633046920.db2.gz RAYYDNFTRVFCKR-CQSZACIVSA-N 1 0 282.387 3.127 20 10 CGCDRO COc1cc(F)cc(C[N@H+](C)Cc2ccccc2O)c1 ZINC000823409105 633099997 /nfs/dbraw/zinc/09/99/97/633099997.db2.gz UNAVYEQIKZNMHF-UHFFFAOYSA-N 1 0 275.323 3.172 20 10 CGCDRO CCC[C@H](CCO)[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000866414781 633126966 /nfs/dbraw/zinc/12/69/66/633126966.db2.gz KLXFLWGAVSAMQG-ZIAGYGMSSA-N 1 0 265.397 3.211 20 10 CGCDRO CC[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)CCO1 ZINC000823752584 633149194 /nfs/dbraw/zinc/14/91/94/633149194.db2.gz IJXRMFZNQGJEQU-GJZGRUSLSA-N 1 0 263.381 3.051 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cc2cccnc2o1 ZINC000823846028 633159028 /nfs/dbraw/zinc/15/90/28/633159028.db2.gz GJLCFCKLRQLTAO-UHFFFAOYSA-N 1 0 295.386 3.492 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]CCCSc2nccs2)C[C@H](C)O1 ZINC000823938111 633170997 /nfs/dbraw/zinc/17/09/97/633170997.db2.gz SZVKBTCSDCTYBP-GDNZZTSVSA-N 1 0 286.466 3.171 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2nn(C)cc2C(F)F)c1 ZINC000866564971 633197650 /nfs/dbraw/zinc/19/76/50/633197650.db2.gz GOZILCVEDRXZJZ-JTQLQIEISA-N 1 0 295.333 3.223 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)c1ccnn1C)c1ccc(C)cc1O ZINC000866613335 633213611 /nfs/dbraw/zinc/21/36/11/633213611.db2.gz HLUXOJCXKYGJGO-JSGCOSHPSA-N 1 0 273.380 3.236 20 10 CGCDRO COc1cccc(C[NH2+][C@H]2CCCc3ccccc3C2)c1O ZINC000824383376 633239565 /nfs/dbraw/zinc/23/95/65/633239565.db2.gz NPKJQVOOGYRZNB-KRWDZBQOSA-N 1 0 297.398 3.438 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCCC2CCOCC2)cc1C ZINC000824477098 633249058 /nfs/dbraw/zinc/24/90/58/633249058.db2.gz CCRBGSORZFYBKH-UHFFFAOYSA-N 1 0 277.408 3.305 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](SC)C2)cc1 ZINC000824683578 633272195 /nfs/dbraw/zinc/27/21/95/633272195.db2.gz QLNKKHYLLZIHHC-INIZCTEOSA-N 1 0 278.465 3.470 20 10 CGCDRO COc1cccc(O)c1C[NH2+]Cc1cc(C)cs1 ZINC000824751350 633282760 /nfs/dbraw/zinc/28/27/60/633282760.db2.gz UKYARCAMSQLPOZ-UHFFFAOYSA-N 1 0 263.362 3.061 20 10 CGCDRO CO[C@H]1CC[N@H+](Cc2ccc3ccccc3c2O)C[C@@H]1C ZINC000824820936 633297185 /nfs/dbraw/zinc/29/71/85/633297185.db2.gz RCRBGGUYUOLQQJ-GUYCJALGSA-N 1 0 285.387 3.402 20 10 CGCDRO Oc1ccc(F)cc1C[N@@H+]1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC000824941118 633309134 /nfs/dbraw/zinc/30/91/34/633309134.db2.gz IZKGAZILCDIDNW-ZBFHGGJFSA-N 1 0 261.340 3.152 20 10 CGCDRO CC[C@H]([NH2+]Cc1cc(OC)c(OC)cc1O)C1CCCC1 ZINC000825124697 633330621 /nfs/dbraw/zinc/33/06/21/633330621.db2.gz WNWIQQYGKLLMHL-AWEZNQCLSA-N 1 0 293.407 3.468 20 10 CGCDRO CCOc1ccc(C[NH2+]CC2(COC)CCCC2)c(O)c1 ZINC000825244899 633338883 /nfs/dbraw/zinc/33/88/83/633338883.db2.gz ATXARSHEXRQRGA-UHFFFAOYSA-N 1 0 293.407 3.087 20 10 CGCDRO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1cc(C)c(C)cc1O ZINC000825284696 633342045 /nfs/dbraw/zinc/34/20/45/633342045.db2.gz YKNGTKZRTGIQKV-GDBMZVCRSA-N 1 0 263.381 3.056 20 10 CGCDRO CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000825299163 633343035 /nfs/dbraw/zinc/34/30/35/633343035.db2.gz DQRHBDCNOPOWGH-NVXWUHKLSA-N 1 0 294.414 3.329 20 10 CGCDRO COCCC1([NH2+]Cc2cc(Cl)c(C)cc2O)CCC1 ZINC000825748618 633379090 /nfs/dbraw/zinc/37/90/90/633379090.db2.gz HFXSBHQOTFGSPL-UHFFFAOYSA-N 1 0 283.799 3.403 20 10 CGCDRO COCc1csc(C[NH2+]Cc2cccc(C)c2O)c1 ZINC000827236985 633473258 /nfs/dbraw/zinc/47/32/58/633473258.db2.gz KBMPMTVFSNJRLZ-UHFFFAOYSA-N 1 0 277.389 3.198 20 10 CGCDRO CCc1cccc(C[NH2+]CC[C@@]2(C)CC2(F)F)c1O ZINC000827259802 633475808 /nfs/dbraw/zinc/47/58/08/633475808.db2.gz HTCJIIOKOSLNPF-AWEZNQCLSA-N 1 0 269.335 3.480 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+][C@H]1CCN(C2CCCCC2)C1 ZINC000827261128 633476349 /nfs/dbraw/zinc/47/63/49/633476349.db2.gz VLGKSEFEVCIILR-HNNXBMFYSA-N 1 0 292.398 3.028 20 10 CGCDRO Oc1ccc2c(c1)[C@@H]([NH2+]Cc1cc(F)ccc1O)CC2 ZINC000827346136 633483676 /nfs/dbraw/zinc/48/36/76/633483676.db2.gz FSORIGZCXNONPC-HNNXBMFYSA-N 1 0 273.307 3.014 20 10 CGCDRO Oc1ccc(F)cc1C[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC000827376621 633485491 /nfs/dbraw/zinc/48/54/91/633485491.db2.gz GLYOAUZJEHJERB-QGZVFWFLSA-N 1 0 293.382 3.312 20 10 CGCDRO COCC[N@H+](C)Cc1ccc(N2CCCCC2)c(C)c1 ZINC000827472247 633492937 /nfs/dbraw/zinc/49/29/37/633492937.db2.gz BMBVJAWMAQLELF-UHFFFAOYSA-N 1 0 276.424 3.064 20 10 CGCDRO COCC(C)(C)[NH2+]Cc1ccc(N2CCCCC2)c(C)c1 ZINC000827661273 633509056 /nfs/dbraw/zinc/50/90/56/633509056.db2.gz NEZLPSMVXHTEBR-UHFFFAOYSA-N 1 0 290.451 3.500 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C[C@H](OC)C2CCCCC2)c1 ZINC000827674252 633509703 /nfs/dbraw/zinc/50/97/03/633509703.db2.gz NVJVLYOSHXKNEO-KRWDZBQOSA-N 1 0 293.407 3.086 20 10 CGCDRO COc1ccc(N2CCC[N@H+](CC3=CCCC3)CC2)cc1 ZINC000827802163 633519084 /nfs/dbraw/zinc/51/90/84/633519084.db2.gz AJUZOGWJMMRNOA-UHFFFAOYSA-N 1 0 286.419 3.318 20 10 CGCDRO C[N@H+](Cc1cc(-c2ccccc2)ccc1O)C1(CO)CCC1 ZINC000827904189 633532386 /nfs/dbraw/zinc/53/23/86/633532386.db2.gz VSMHLHRRHOWDML-UHFFFAOYSA-N 1 0 297.398 3.406 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872261053 634092354 /nfs/dbraw/zinc/09/23/54/634092354.db2.gz YSEIIWAUFJOZQD-MRXNPFEDSA-N 1 0 275.392 3.316 20 10 CGCDRO COc1ccc(C[NH2+]CCc2cc(C)cc(C)c2)c(O)c1 ZINC000124054470 634114109 /nfs/dbraw/zinc/11/41/09/634114109.db2.gz BCKBPUORZJFSTB-UHFFFAOYSA-N 1 0 285.387 3.350 20 10 CGCDRO COc1cc(C[NH+]2CCC(CCF)CC2)c(O)cc1C ZINC000872648041 634180926 /nfs/dbraw/zinc/18/09/26/634180926.db2.gz HDQMZSPYBNHITM-UHFFFAOYSA-N 1 0 281.371 3.281 20 10 CGCDRO C[C@H](C[C@H](O)c1ccco1)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834625098 634201239 /nfs/dbraw/zinc/20/12/39/634201239.db2.gz SYNPPPIMBCUUGM-KYOSRNDESA-N 1 0 287.359 3.074 20 10 CGCDRO Cc1ccncc1[C@H](C)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834629751 634202465 /nfs/dbraw/zinc/20/24/65/634202465.db2.gz OQKNDVXLIZLJMB-WFASDCNBSA-N 1 0 268.360 3.434 20 10 CGCDRO C[C@@H](C[NH2+][C@H]1CCc2cccc(O)c21)Oc1ccccc1 ZINC000834649902 634208085 /nfs/dbraw/zinc/20/80/85/634208085.db2.gz BMJHJBIGAIOJPP-BBRMVZONSA-N 1 0 283.371 3.437 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]CC1Cc3ccccc3C1)CC2 ZINC000834655032 634210187 /nfs/dbraw/zinc/21/01/87/634210187.db2.gz WMXZAXBTGLCDQD-KRWDZBQOSA-N 1 0 279.383 3.384 20 10 CGCDRO CCCOc1ccc(C[NH2+]CC[C@@H](C)[S@](C)=O)cc1C ZINC000873080585 634243072 /nfs/dbraw/zinc/24/30/72/634243072.db2.gz QBTMPFUQIANQQX-VLIAUNLRSA-N 1 0 297.464 3.031 20 10 CGCDRO COc1ccc(C[NH2+]C2(C)CC=CC2)cc1Cn1cccn1 ZINC000873133642 634254105 /nfs/dbraw/zinc/25/41/05/634254105.db2.gz TWYJNAQBVFKUIE-UHFFFAOYSA-N 1 0 297.402 3.138 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCOC2(C)C)cc1 ZINC000834874378 634262179 /nfs/dbraw/zinc/26/21/79/634262179.db2.gz CVZIKBNZWGXGDQ-XJKSGUPXSA-N 1 0 276.424 3.361 20 10 CGCDRO C[C@H]([NH2+]CC1(CF)CCOCC1)c1ccc(N(C)C)cc1 ZINC000834886374 634267545 /nfs/dbraw/zinc/26/75/45/634267545.db2.gz SFFFOPMDIZERFG-AWEZNQCLSA-N 1 0 294.414 3.170 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)c1cc(Cl)cc(C)c1O)[C@@H](C)O ZINC000834889815 634270217 /nfs/dbraw/zinc/27/02/17/634270217.db2.gz ZXAUIEUYBDOEAF-CWSCBRNRSA-N 1 0 271.788 3.164 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2C[C@H](C)n3ccnc32)c1 ZINC000834892641 634271335 /nfs/dbraw/zinc/27/13/35/634271335.db2.gz CCKWGAXWSDNLMA-OBJOEFQTSA-N 1 0 271.364 3.254 20 10 CGCDRO CCn1ccnc1[C@H](C)[NH2+][C@H](C)c1cc(C)ccc1O ZINC000834894238 634272275 /nfs/dbraw/zinc/27/22/75/634272275.db2.gz JLBKZQOKHFTHKN-OLZOCXBDSA-N 1 0 273.380 3.329 20 10 CGCDRO CCCc1ncc(C[NH2+][C@@H](C)c2ccc(C)cc2O)o1 ZINC000834898496 634275798 /nfs/dbraw/zinc/27/57/98/634275798.db2.gz FGAZWQPTUDMLKU-LBPRGKRZSA-N 1 0 274.364 3.492 20 10 CGCDRO CC[C@H]([NH2+]Cc1cc(C)ccc1O)[C@H](O)c1ccccc1 ZINC000873194591 634278755 /nfs/dbraw/zinc/27/87/55/634278755.db2.gz UMQXQNKDRWKETF-FUHWJXTLSA-N 1 0 285.387 3.302 20 10 CGCDRO CC1(C)C[C@@H](C[NH2+][C@H]2CCc3cccc(O)c32)CCO1 ZINC000834910091 634284229 /nfs/dbraw/zinc/28/42/29/634284229.db2.gz NEWBHYNTBABPCU-JSGCOSHPSA-N 1 0 275.392 3.174 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1CCOC(C)(C)C1)c1cc(F)ccc1O ZINC000834912933 634285180 /nfs/dbraw/zinc/28/51/80/634285180.db2.gz YGXJLWDCOCJYNC-RYUDHWBXSA-N 1 0 281.371 3.387 20 10 CGCDRO CCOc1cccc(CNc2ccc([C@@H]3C[C@H]3[NH3+])cc2)c1O ZINC000873214658 634287564 /nfs/dbraw/zinc/28/75/64/634287564.db2.gz CWHIRKSPILKWFI-JKSUJKDBSA-N 1 0 298.386 3.218 20 10 CGCDRO c1cc(N2CCCCC2)ccc1CN[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000873230137 634292590 /nfs/dbraw/zinc/29/25/90/634292590.db2.gz MPQWTEBTMUVEQI-OALUTQOASA-N 1 0 299.462 3.051 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1ccc(F)cc1[O-] ZINC000873245613 634299395 /nfs/dbraw/zinc/29/93/95/634299395.db2.gz SHDQKUNDNNSLBA-UKRRQHHQSA-N 1 0 294.414 3.350 20 10 CGCDRO C[C@@H](C1CC1)[N@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835025785 634324479 /nfs/dbraw/zinc/32/44/79/634324479.db2.gz NJHFBHGMMJCJPI-GJBLVYBDSA-N 1 0 258.409 3.496 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+]CC2(O)CCCCC2)cc1 ZINC000835036527 634327178 /nfs/dbraw/zinc/32/71/78/634327178.db2.gz KXWDVESTCSQKGH-SREVYHEPSA-N 1 0 288.435 3.051 20 10 CGCDRO CCN(CC)[C@H](C)C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835035159 634327654 /nfs/dbraw/zinc/32/76/54/634327654.db2.gz GDTYNFMPYGAQNN-ROJDOSBLSA-N 1 0 289.467 3.086 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+]CCCC(C)(C)CO)cc1 ZINC000835039330 634329728 /nfs/dbraw/zinc/32/97/28/634329728.db2.gz DGLHGTPBNCYETL-FNORWQNLSA-N 1 0 290.451 3.154 20 10 CGCDRO C[C@H]([NH2+]C/C=C\c1ccc(N(C)C)cc1)c1ccc[nH]1 ZINC000835042070 634330269 /nfs/dbraw/zinc/33/02/69/634330269.db2.gz QQLFQRAZHJEVNI-SDQPKGBYSA-N 1 0 269.392 3.445 20 10 CGCDRO Cc1cc(C[C@H](C)[NH2+]C/C=C\c2ccc(N(C)C)cc2)[nH]n1 ZINC000835043917 634331452 /nfs/dbraw/zinc/33/14/52/634331452.db2.gz VZVHQXVRRFTVQR-GXMNPTEKSA-N 1 0 298.434 3.018 20 10 CGCDRO CCC[C@]1([NH2+]C/C=C/c2ccc(N(C)C)cc2)CCOC1 ZINC000835053402 634338005 /nfs/dbraw/zinc/33/80/05/634338005.db2.gz MOFPPSKLAUFDRD-QWNKOJSDSA-N 1 0 288.435 3.315 20 10 CGCDRO CC(C)C[C@H](CO)[N@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835054506 634338070 /nfs/dbraw/zinc/33/80/70/634338070.db2.gz WEXKXUHQFJFKIG-IPLHWJFFSA-N 1 0 290.451 3.105 20 10 CGCDRO CO[C@@H]1CC[N@H+](C/C=C\c2ccc(N(C)C)cc2)C[C@H]1C ZINC000835054005 634338495 /nfs/dbraw/zinc/33/84/95/634338495.db2.gz GONXGAYFQZDQFK-CPHMMYSSSA-N 1 0 288.435 3.123 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]C/C=C\c2ccc(N(C)C)cc2)c2nccn21 ZINC000835055085 634338803 /nfs/dbraw/zinc/33/88/03/634338803.db2.gz QNJXJVOJFCMIQG-DSLFPGPSSA-N 1 0 296.418 3.258 20 10 CGCDRO C[C@@H]1COCC[C@@H]1C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835054852 634339614 /nfs/dbraw/zinc/33/96/14/634339614.db2.gz ZPXPDBHJSXWTSN-XQJUWPJRSA-N 1 0 288.435 3.028 20 10 CGCDRO COC1(CC[NH2+]C/C=C/c2ccc(N(C)C)cc2)CCC1 ZINC000835056621 634341137 /nfs/dbraw/zinc/34/11/37/634341137.db2.gz WFASDMMMKNZROI-GQCTYLIASA-N 1 0 288.435 3.315 20 10 CGCDRO CCOc1cccc(C[NH2+]CCC2CC(F)(F)C2)c1O ZINC000835061069 634342130 /nfs/dbraw/zinc/34/21/30/634342130.db2.gz PMORUDRHEPWXRW-UHFFFAOYSA-N 1 0 285.334 3.316 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+](Cc2cnn(C)c2)CC(C)C)c1 ZINC000835077097 634346175 /nfs/dbraw/zinc/34/61/75/634346175.db2.gz OJSHOUAXZORMFQ-UHFFFAOYSA-N 1 0 287.407 3.092 20 10 CGCDRO Cc1ccc(C[N@H+](C)Cc2ccc3c(c2)OCO3)c(O)c1 ZINC000876547092 634854951 /nfs/dbraw/zinc/85/49/51/634854951.db2.gz HXQRHZIPQLIXHA-UHFFFAOYSA-N 1 0 285.343 3.061 20 10 CGCDRO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(C)cc2O)no1 ZINC000876591342 634863307 /nfs/dbraw/zinc/86/33/07/634863307.db2.gz HHJGKDPUCFEOHC-HNNXBMFYSA-N 1 0 272.348 3.334 20 10 CGCDRO C[N@H+](Cc1ccnn1CC1CCC1)Cc1ccccc1O ZINC000876616229 634868702 /nfs/dbraw/zinc/86/87/02/634868702.db2.gz UYKBPRBMZVPJEE-UHFFFAOYSA-N 1 0 285.391 3.021 20 10 CGCDRO O=c1ccc(C[N@@H+](Cc2ccccc2O)C2CCCC2)c[nH]1 ZINC000876721070 634885947 /nfs/dbraw/zinc/88/59/47/634885947.db2.gz FRROJNFTIPTVAN-UHFFFAOYSA-N 1 0 298.386 3.438 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc3c(c2)OCO3)c(O)c1 ZINC000876919445 634928936 /nfs/dbraw/zinc/92/89/36/634928936.db2.gz VZRQCYMDYQUXIA-LBPRGKRZSA-N 1 0 285.343 3.280 20 10 CGCDRO CCc1ccc([C@@H](COC)[NH2+]Cc2ccc(C)cc2O)o1 ZINC000877043118 634961914 /nfs/dbraw/zinc/96/19/14/634961914.db2.gz BLEBYVBPOLXZRQ-OAHLLOKOSA-N 1 0 289.375 3.333 20 10 CGCDRO Cc1noc(C)c1[C@H](C)[NH2+]Cc1ccc(C)cc1O ZINC000877045640 634962196 /nfs/dbraw/zinc/96/21/96/634962196.db2.gz DFZNLUOFRIDPNP-JTQLQIEISA-N 1 0 260.337 3.156 20 10 CGCDRO c1csc(SCCC[NH2+]CCC2CCOCC2)n1 ZINC000877062107 634967561 /nfs/dbraw/zinc/96/75/61/634967561.db2.gz XTUKDVHYACJASV-UHFFFAOYSA-N 1 0 286.466 3.032 20 10 CGCDRO Cc1ccc(C[NH2+]CCc2nc3c(cccc3C)o2)c(O)c1 ZINC000877064865 634968418 /nfs/dbraw/zinc/96/84/18/634968418.db2.gz DSQURRAKEXNPER-UHFFFAOYSA-N 1 0 296.370 3.483 20 10 CGCDRO Cc1cccc2oc(CC[NH2+]Cc3c(C)cccc3O)nc21 ZINC000877065524 634968611 /nfs/dbraw/zinc/96/86/11/634968611.db2.gz PLJKANNRQQJMRU-UHFFFAOYSA-N 1 0 296.370 3.483 20 10 CGCDRO Cc1cnc([C@H](C)[NH2+]Cc2ccc(C)cc2O)s1 ZINC000877081380 634977074 /nfs/dbraw/zinc/97/70/74/634977074.db2.gz NEKYHCQMWVOJRH-NSHDSACASA-N 1 0 262.378 3.316 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCC[C@H]2C2CCOCC2)c(O)c1 ZINC000877140105 635000387 /nfs/dbraw/zinc/00/03/87/635000387.db2.gz NAHWLGRAVDQPOX-INIZCTEOSA-N 1 0 275.392 3.092 20 10 CGCDRO Cc1ccc(C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)c(O)c1 ZINC000877398780 635033819 /nfs/dbraw/zinc/03/38/19/635033819.db2.gz IVQNUEIRRKBFCV-LJQANCHMSA-N 1 0 295.382 3.332 20 10 CGCDRO CC[C@@H](C)c1nnc([C@@H](C)[NH2+]Cc2ccc(C)cc2O)[nH]1 ZINC000877475547 635051561 /nfs/dbraw/zinc/05/15/61/635051561.db2.gz SKQUGYPYIVIQFV-VXGBXAGGSA-N 1 0 288.395 3.183 20 10 CGCDRO COCC[C@H](C)C[NH2+][C@H](C)c1cc(C)ccc1O ZINC000840834930 635061044 /nfs/dbraw/zinc/06/10/44/635061044.db2.gz CBXWCCVEHJPEST-QWHCGFSZSA-N 1 0 251.370 3.024 20 10 CGCDRO Cc1cc(O)c(CNCCC[N@@H+](C)C(C)C)c(Cl)c1 ZINC000840875291 635071002 /nfs/dbraw/zinc/07/10/02/635071002.db2.gz MFKRNBVQPPNQDW-UHFFFAOYSA-N 1 0 284.831 3.174 20 10 CGCDRO Cc1cccc(O)c1C[N@H+](C)Cc1ccc(O)cc1 ZINC000877528374 635073497 /nfs/dbraw/zinc/07/34/97/635073497.db2.gz YNSLUBZQLQQNFL-UHFFFAOYSA-N 1 0 257.333 3.038 20 10 CGCDRO COCCC[C@H](C)[NH2+][C@H](C)Cc1ccc(N(C)C)cc1C ZINC000840893958 635077305 /nfs/dbraw/zinc/07/73/05/635077305.db2.gz NSRLSZJOOGIXPR-JKSUJKDBSA-N 1 0 292.467 3.397 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@H](O)CC(C)(C)C)c(Cl)c1 ZINC000840898053 635077957 /nfs/dbraw/zinc/07/79/57/635077957.db2.gz DWQGVHUJSODLQD-LLVKDONJSA-N 1 0 285.815 3.241 20 10 CGCDRO Cc1ccc(C[N@@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c(O)c1 ZINC000877539943 635079414 /nfs/dbraw/zinc/07/94/14/635079414.db2.gz QSWIDXMQQOUKQJ-JKSUJKDBSA-N 1 0 275.392 3.090 20 10 CGCDRO Cc1cc(O)c(C[N@@H+](C)[C@H]2CCSC2)c(Cl)c1 ZINC000840911276 635080974 /nfs/dbraw/zinc/08/09/74/635080974.db2.gz ZWMBAQSILQQMAT-JTQLQIEISA-N 1 0 271.813 3.291 20 10 CGCDRO Cc1ccoc1C[N@@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000877546653 635082623 /nfs/dbraw/zinc/08/26/23/635082623.db2.gz VOEUZERBHHNUJY-UHFFFAOYSA-N 1 0 267.275 3.204 20 10 CGCDRO Cc1cc(O)c(CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(Cl)c1 ZINC000840917892 635083168 /nfs/dbraw/zinc/08/31/68/635083168.db2.gz UYYBOCHBBLOOFP-STQMWFEESA-N 1 0 296.842 3.269 20 10 CGCDRO CSC[C@@H]1CCC[N@H+](Cc2c(C)cccc2O)C1 ZINC000877547570 635083221 /nfs/dbraw/zinc/08/32/21/635083221.db2.gz BIPNBIGQWRWTAM-CYBMUJFWSA-N 1 0 265.422 3.276 20 10 CGCDRO [O-]c1c(C[NH2+]CCCCC[NH+]2CCCC2)ccc(F)c1F ZINC000877551526 635085375 /nfs/dbraw/zinc/08/53/75/635085375.db2.gz DLLZPDGNAHFLNK-UHFFFAOYSA-N 1 0 298.377 3.026 20 10 CGCDRO COCC1(C)CC[NH+](Cc2ccc(N(C)C)cc2C)CC1 ZINC000840937237 635086265 /nfs/dbraw/zinc/08/62/65/635086265.db2.gz QURITONPSGZRGA-UHFFFAOYSA-N 1 0 290.451 3.310 20 10 CGCDRO COC[C@H]1CCCC[N@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000840939434 635086850 /nfs/dbraw/zinc/08/68/50/635086850.db2.gz YBDZQWPISOUDDP-INIZCTEOSA-N 1 0 290.451 3.310 20 10 CGCDRO CO[C@H](C[NH2+]Cc1ccc(C)cc1O)Cc1ccccc1 ZINC000877558216 635089001 /nfs/dbraw/zinc/08/90/01/635089001.db2.gz AIZQLGDVOSLHOA-KRWDZBQOSA-N 1 0 285.387 3.048 20 10 CGCDRO COc1cccc(O)c1C[NH2+]C[C@@H]1CCC[C@H]1C1CC1 ZINC000840955310 635091999 /nfs/dbraw/zinc/09/19/99/635091999.db2.gz UJFCPXXYPQKANH-KBPBESRZSA-N 1 0 275.392 3.317 20 10 CGCDRO CCOc1ccc(C[NH2+]C2CCC(COC)CC2)c(O)c1 ZINC000840962130 635094915 /nfs/dbraw/zinc/09/49/15/635094915.db2.gz ILSXUMLRHATMAX-UHFFFAOYSA-N 1 0 293.407 3.086 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+][C@@H](C)C2(OC)CCC2)c1O ZINC000840969276 635095920 /nfs/dbraw/zinc/09/59/20/635095920.db2.gz DJUMBJUDRSMMAM-JTQLQIEISA-N 1 0 299.798 3.101 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)[C@@H]1CC1(F)F ZINC000840968445 635096040 /nfs/dbraw/zinc/09/60/40/635096040.db2.gz SBPGNTBUWVFXDZ-FZMZJTMJSA-N 1 0 268.351 3.194 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]C[C@@H]1CCC=CO1 ZINC000840975099 635098309 /nfs/dbraw/zinc/09/83/09/635098309.db2.gz DCSWIXBLUKIICC-QAPCUYQASA-N 1 0 288.435 3.274 20 10 CGCDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1 ZINC000877573617 635098640 /nfs/dbraw/zinc/09/86/40/635098640.db2.gz SFINOOYLCQWYSK-RDTXWAMCSA-N 1 0 298.386 3.106 20 10 CGCDRO C=Cn1cc(C[NH2+][C@H](C)Cc2ccc(N(C)C)cc2C)cn1 ZINC000840975565 635099222 /nfs/dbraw/zinc/09/92/22/635099222.db2.gz IQFDPSIAWHKWRK-OAHLLOKOSA-N 1 0 298.434 3.079 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CC[C@H](C3CCC3)C2)c1O ZINC000840979548 635100221 /nfs/dbraw/zinc/10/02/21/635100221.db2.gz XBVNFWGDSWJGSV-AWEZNQCLSA-N 1 0 275.392 3.413 20 10 CGCDRO CC(C)Oc1ccc(N(C)C[C@@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000841024638 635108510 /nfs/dbraw/zinc/10/85/10/635108510.db2.gz WILQNAOVWVBRJS-LSDHHAIUSA-N 1 0 276.424 3.298 20 10 CGCDRO C[C@H]([NH3+])c1ccc(C[NH2+]Cc2cccc(Cl)c2[O-])cc1 ZINC000841030697 635109316 /nfs/dbraw/zinc/10/93/16/635109316.db2.gz ZATIDQOJPOBPAH-NSHDSACASA-N 1 0 290.794 3.355 20 10 CGCDRO Cc1cc(C)cc(C[NH2+]CCc2ccc(N)cc2)c1 ZINC000841034615 635109994 /nfs/dbraw/zinc/10/99/94/635109994.db2.gz IHUWHNAVJUMIDJ-UHFFFAOYSA-N 1 0 254.377 3.218 20 10 CGCDRO Cc1ccccc1C[C@@H](C)[NH2+]CCc1ccc(N)cc1 ZINC000841037250 635111329 /nfs/dbraw/zinc/11/13/29/635111329.db2.gz ZPDHLWXZHIVOPS-OAHLLOKOSA-N 1 0 268.404 3.341 20 10 CGCDRO COc1ccccc1C[C@H](C)[NH2+]CCc1ccc(N)cc1 ZINC000841037247 635111467 /nfs/dbraw/zinc/11/14/67/635111467.db2.gz ZOMJAGRSFPOZGX-AWEZNQCLSA-N 1 0 284.403 3.041 20 10 CGCDRO Nc1ccc(CC[NH2+]CCCCOc2ccccc2)cc1 ZINC000841038478 635111496 /nfs/dbraw/zinc/11/14/96/635111496.db2.gz KJILRQSGVNPHNB-UHFFFAOYSA-N 1 0 284.403 3.260 20 10 CGCDRO CC(C)C[C@@H](C)C[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000841042006 635113254 /nfs/dbraw/zinc/11/32/54/635113254.db2.gz JCQMTPQIKBWDDR-PBHICJAKSA-N 1 0 277.456 3.024 20 10 CGCDRO CC[NH2+]Cc1ccccc1NCc1cccc(F)c1O ZINC000841043707 635113286 /nfs/dbraw/zinc/11/32/86/635113286.db2.gz QWJZLASOQQBOOQ-UHFFFAOYSA-N 1 0 274.339 3.253 20 10 CGCDRO C[C@@H]1CCC[C@@H](C[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)C1 ZINC000841044508 635113642 /nfs/dbraw/zinc/11/36/42/635113642.db2.gz ZDNXPMUUOHOXEH-RKVPGOIHSA-N 1 0 289.467 3.168 20 10 CGCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]C1CSC1 ZINC000877635391 635125385 /nfs/dbraw/zinc/12/53/85/635125385.db2.gz PLUQCMNRNGNTTB-UHFFFAOYSA-N 1 0 271.385 3.264 20 10 CGCDRO CSC1CC[NH+](Cc2ccc(C)cc2O)CC1 ZINC000877663075 635137632 /nfs/dbraw/zinc/13/76/32/635137632.db2.gz FNDHAEUZORSFIV-UHFFFAOYSA-N 1 0 251.395 3.028 20 10 CGCDRO Oc1ccc(F)cc1C[NH+]1CC(c2ccccc2)C1 ZINC000877666065 635138625 /nfs/dbraw/zinc/13/86/25/635138625.db2.gz UMXZWHAITPMGGE-UHFFFAOYSA-N 1 0 257.308 3.131 20 10 CGCDRO CCc1cccc(C[NH2+]Cc2cccc3c2CCOC3)c1O ZINC000877697569 635148951 /nfs/dbraw/zinc/14/89/51/635148951.db2.gz LADZCEQASSEMJI-UHFFFAOYSA-N 1 0 297.398 3.317 20 10 CGCDRO Oc1cccc2c1CN(Cc1scnc1C1CC1)C2 ZINC000877702741 635154155 /nfs/dbraw/zinc/15/41/55/635154155.db2.gz FUITTZBTXBTMSW-UHFFFAOYSA-N 1 0 272.373 3.242 20 10 CGCDRO Oc1cccc(Cl)c1C[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000877740737 635175801 /nfs/dbraw/zinc/17/58/01/635175801.db2.gz TUXNPMZQXBOZBR-MNOVXSKESA-N 1 0 283.824 3.231 20 10 CGCDRO COC(=O)CC1CCC([NH2+][C@H](C)c2ccccc2O)CC1 ZINC000877755787 635184254 /nfs/dbraw/zinc/18/42/54/635184254.db2.gz MVNCSWFEQLWPJR-IYXRBSQSSA-N 1 0 291.391 3.165 20 10 CGCDRO CC(C)n1cc(C[NH2+][C@H](C)c2ccccc2O)cn1 ZINC000877756477 635185202 /nfs/dbraw/zinc/18/52/02/635185202.db2.gz KUWADFJRHDNDMW-GFCCVEGCSA-N 1 0 259.353 3.020 20 10 CGCDRO CC(C)[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2O)CCO1 ZINC000877756276 635185516 /nfs/dbraw/zinc/18/55/16/635185516.db2.gz DXGAKDMWEHAPSF-DVOMOZLQSA-N 1 0 263.381 3.246 20 10 CGCDRO C[C@@H]([NH2+]Cc1cn(C)nc1C(C)(C)C)c1ccccc1O ZINC000877756601 635186186 /nfs/dbraw/zinc/18/61/86/635186186.db2.gz XBWHMSBPMCWMGL-GFCCVEGCSA-N 1 0 287.407 3.274 20 10 CGCDRO C[C@H](CCc1cccnc1)[NH2+][C@@H](C)c1ccccc1O ZINC000877758143 635186906 /nfs/dbraw/zinc/18/69/06/635186906.db2.gz KLESCTHJTOFKIK-KGLIPLIRSA-N 1 0 270.376 3.459 20 10 CGCDRO Cc1cccc(O)c1C[NH2+][C@@H](C)c1ccccc1O ZINC000877758405 635187423 /nfs/dbraw/zinc/18/74/23/635187423.db2.gz YQEKQVKXDFXWAU-LBPRGKRZSA-N 1 0 257.333 3.257 20 10 CGCDRO CC[C@H](COC)[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841754216 635229223 /nfs/dbraw/zinc/22/92/23/635229223.db2.gz JAWGUGRJCXLXTD-GXSJLCMTSA-N 1 0 257.761 3.121 20 10 CGCDRO CCCC[N@H+](Cc1cc(C)nn1C)Cc1ccccc1O ZINC000841883711 635246354 /nfs/dbraw/zinc/24/63/54/635246354.db2.gz DWKMWOKMTJNNBD-UHFFFAOYSA-N 1 0 287.407 3.236 20 10 CGCDRO CC[C@H]([NH2+]Cc1cc(OC)c(OC)cc1O)[C@@H]1CC1(C)C ZINC000841890981 635247021 /nfs/dbraw/zinc/24/70/21/635247021.db2.gz LJYLFPWQBNQEDU-STQMWFEESA-N 1 0 293.407 3.324 20 10 CGCDRO COCCCC[N@H+](C)Cc1c(O)cc(C)cc1Cl ZINC000841893391 635248514 /nfs/dbraw/zinc/24/85/14/635248514.db2.gz DRJQOCDWSAUEPN-UHFFFAOYSA-N 1 0 271.788 3.212 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCSC[C@H]2C2CCC2)c1 ZINC000841893276 635248754 /nfs/dbraw/zinc/24/87/54/635248754.db2.gz HUUYWVWVDXFPIG-HNNXBMFYSA-N 1 0 277.433 3.418 20 10 CGCDRO CO[C@H]1C[C@@H](C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)C1 ZINC000877977108 635301981 /nfs/dbraw/zinc/30/19/81/635301981.db2.gz MLSUVWGDDMWZNB-RHNCMZPLSA-N 1 0 288.435 3.142 20 10 CGCDRO C[C@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)CC(F)F ZINC000842727145 635451477 /nfs/dbraw/zinc/45/14/77/635451477.db2.gz DJMPDBVKUCPKTH-JTQLQIEISA-N 1 0 274.330 3.273 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1CC2(CCC2)CO1)c1ccc(N(C)C)cc1 ZINC000878455307 635513064 /nfs/dbraw/zinc/51/30/64/635513064.db2.gz VXVGEZPZRXTAJY-YOEHRIQHSA-N 1 0 288.435 3.362 20 10 CGCDRO [O-]c1c(Cl)cccc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000843046212 635550532 /nfs/dbraw/zinc/55/05/32/635550532.db2.gz PWEBLBNCGSNHFC-OAHLLOKOSA-N 1 0 294.826 3.010 20 10 CGCDRO Cc1ccc(CN2CCCc3cc(C[NH3+])ccc32)s1 ZINC000843057146 635554035 /nfs/dbraw/zinc/55/40/35/635554035.db2.gz DOSVMHGTEQALQI-UHFFFAOYSA-N 1 0 272.417 3.468 20 10 CGCDRO CC[C@H](C)C[C@H](CO)[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000843426833 635671709 /nfs/dbraw/zinc/67/17/09/635671709.db2.gz BQBMLDCAZMIGEM-IINYFYTJSA-N 1 0 285.815 3.241 20 10 CGCDRO C[C@H]1C[N@H+](Cc2cc(F)ccc2O)CC2(CCCC2)O1 ZINC000843435697 635675581 /nfs/dbraw/zinc/67/55/81/635675581.db2.gz XJADPRPNQPBVJD-LBPRGKRZSA-N 1 0 279.355 3.065 20 10 CGCDRO C[C@@H]([NH2+]C[C@H](O)[C@H](C)c1ccccc1)c1ccccc1O ZINC000879648833 635826761 /nfs/dbraw/zinc/82/67/61/635826761.db2.gz BIOCAROHMHKQAR-LBTNJELSSA-N 1 0 285.387 3.207 20 10 CGCDRO CC(C)Oc1ccnc(C[N@H+](C)Cc2ccccc2O)c1 ZINC000844305544 635865666 /nfs/dbraw/zinc/86/56/66/635865666.db2.gz DBQNWFNDOOWNGQ-UHFFFAOYSA-N 1 0 286.375 3.206 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CNc3ccccc3C2)c(O)c1 ZINC000844919348 635983161 /nfs/dbraw/zinc/98/31/61/635983161.db2.gz FSGVORXWTKMMPI-DZGCQCFKSA-N 1 0 282.387 3.388 20 10 CGCDRO COC[C@@H](CC(C)(C)C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000845928882 636120017 /nfs/dbraw/zinc/12/00/17/636120017.db2.gz GNKOHZZVCQISCH-OAHLLOKOSA-N 1 0 277.408 3.162 20 10 CGCDRO CCC[C@H](C)[C@H](CO)[NH2+][C@H](CC)c1ccccc1O ZINC000846012778 636129233 /nfs/dbraw/zinc/12/92/33/636129233.db2.gz DLJNDDZGHXGMOE-CFVMTHIKSA-N 1 0 265.397 3.230 20 10 CGCDRO CO[C@H]1C[C@H]2C[C@@H]([NH2+]Cc3cc(Cl)ccc3O)C[C@H]2C1 ZINC000846054709 636139261 /nfs/dbraw/zinc/13/92/61/636139261.db2.gz DWBABWOQTLFTCX-HGSJOUDDSA-N 1 0 295.810 3.339 20 10 CGCDRO CCCC[C@@H](COC)[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846148414 636149766 /nfs/dbraw/zinc/14/97/66/636149766.db2.gz YZAWULYLYLKTRL-OLZOCXBDSA-N 1 0 281.396 3.257 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCO[C@H](C(C)C)C2)c1O ZINC000846147556 636150017 /nfs/dbraw/zinc/15/00/17/636150017.db2.gz SAIABWXMOHWDJA-ZENOOKHLSA-N 1 0 293.407 3.255 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)c2ccc[nH]2)c1O ZINC000846158180 636150351 /nfs/dbraw/zinc/15/03/51/636150351.db2.gz UMYMSKWXIHWPQS-QWRGUYRKSA-N 1 0 260.337 3.141 20 10 CGCDRO CCC(C)(C)C[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846164986 636151025 /nfs/dbraw/zinc/15/10/25/636151025.db2.gz JWZRXUMQQFIXSD-NSHDSACASA-N 1 0 251.370 3.488 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H]2COc3ccccc32)c1O ZINC000846169537 636153181 /nfs/dbraw/zinc/15/31/81/636153181.db2.gz DYTLNUIYNNLBKD-CHWSQXEVSA-N 1 0 299.370 3.228 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2C[C@H]2C2CCC2)c1O ZINC000846173439 636153472 /nfs/dbraw/zinc/15/34/72/636153472.db2.gz RHZGPVUOZBAXHX-WHOFXGATSA-N 1 0 275.392 3.488 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)COCC2CC2)c(O)c1 ZINC000846204565 636158612 /nfs/dbraw/zinc/15/86/12/636158612.db2.gz MTXFJZDGDWCQHG-STQMWFEESA-N 1 0 263.381 3.166 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]C2(C3CCC3)CC2)c1O ZINC000846207521 636158779 /nfs/dbraw/zinc/15/87/79/636158779.db2.gz OMDDDGNUZKIWBE-LLVKDONJSA-N 1 0 261.365 3.384 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@@H]1CCCCO1 ZINC000847077129 636329813 /nfs/dbraw/zinc/32/98/13/636329813.db2.gz HIYVBPQPQRVQDO-SJORKVTESA-N 1 0 276.424 3.190 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)C1CCC1 ZINC000130072728 636413471 /nfs/dbraw/zinc/41/34/71/636413471.db2.gz NIPIGKIKFQVESL-ZDUSSCGKSA-N 1 0 258.409 3.347 20 10 CGCDRO Oc1c(F)cc(F)cc1CNc1ccc2c([nH+]1)CCC2 ZINC000883137482 636552565 /nfs/dbraw/zinc/55/25/65/636552565.db2.gz GPESSVSUPLVSQR-UHFFFAOYSA-N 1 0 276.286 3.166 20 10 CGCDRO C[C@H](Cc1ccccn1)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000848567027 636609422 /nfs/dbraw/zinc/60/94/22/636609422.db2.gz OQGJSJVKKLWZOB-CYBMUJFWSA-N 1 0 287.382 3.008 20 10 CGCDRO CC[C@H]([NH2+]Cc1cc(Cl)ccc1O)[C@@H]1CCCCO1 ZINC000848575591 636614806 /nfs/dbraw/zinc/61/48/06/636614806.db2.gz SUIKUKCRALTQLM-ZFWWWQNUSA-N 1 0 283.799 3.483 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCc2ccns2)cc1 ZINC000883248508 636618370 /nfs/dbraw/zinc/61/83/70/636618370.db2.gz VFJJLKZFBYFOSL-CYBMUJFWSA-N 1 0 289.448 3.493 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@H]2C[C@@H](COC)C2)cc1C ZINC000883315121 636664215 /nfs/dbraw/zinc/66/42/15/636664215.db2.gz YLIXAIDYOGWKFF-IYBDPMFKSA-N 1 0 277.408 3.298 20 10 CGCDRO CCc1cccc(C[N@H+](C)[C@@H]2CCCc3c2cnn3C)c1O ZINC000848891023 636678049 /nfs/dbraw/zinc/67/80/49/636678049.db2.gz WEWUHASQHNPKSY-MRXNPFEDSA-N 1 0 299.418 3.198 20 10 CGCDRO CCc1cccc(C[NH2+][C@H](COC)c2ccccc2)c1O ZINC000848894949 636678807 /nfs/dbraw/zinc/67/88/07/636678807.db2.gz ISTXSSHJAFGZCG-QGZVFWFLSA-N 1 0 285.387 3.432 20 10 CGCDRO CCc1cccc(C[N@@H+]2CC[C@H](C)[C@H](F)C2)c1O ZINC000848900111 636681465 /nfs/dbraw/zinc/68/14/65/636681465.db2.gz AYMCVLIUMPDRNO-SMDDNHRTSA-N 1 0 251.345 3.135 20 10 CGCDRO CCc1cccc(C[N@H+](C)CCc2ccccn2)c1O ZINC000848903010 636682824 /nfs/dbraw/zinc/68/28/24/636682824.db2.gz WVEYZWGIHSEWNA-UHFFFAOYSA-N 1 0 270.376 3.024 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1O ZINC000848916864 636689998 /nfs/dbraw/zinc/68/99/98/636689998.db2.gz YAFODCIFAXYZBT-BBWFWOEESA-N 1 0 289.419 3.080 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCOC2)c1O ZINC000848919223 636691597 /nfs/dbraw/zinc/69/15/97/636691597.db2.gz IBJRURLGYXWNEZ-SJORKVTESA-N 1 0 289.419 3.346 20 10 CGCDRO CCc1cccc(C[N@@H+]2CC3(C[C@H]2C)CCOCC3)c1O ZINC000848919296 636691785 /nfs/dbraw/zinc/69/17/85/636691785.db2.gz JGVGBFBAQMAZSU-CQSZACIVSA-N 1 0 289.419 3.346 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H]2CCCN3CCCC[C@@H]23)c1O ZINC000848927956 636700461 /nfs/dbraw/zinc/70/04/61/636700461.db2.gz RFPPYDWFRRISQR-SJORKVTESA-N 1 0 288.435 3.061 20 10 CGCDRO CCOc1cccc(C[N@H+](C)C[C@H](C)CC)c1O ZINC000132094400 636782141 /nfs/dbraw/zinc/78/21/41/636782141.db2.gz BGOGWKUCFMZFIN-GFCCVEGCSA-N 1 0 251.370 3.269 20 10 CGCDRO CC[C@H]([NH2+]CC1(O)CCC(C)CC1)c1ccccc1O ZINC000087045455 636790182 /nfs/dbraw/zinc/79/01/82/636790182.db2.gz CCRFEZCWIBUZGH-GULBITTBSA-N 1 0 277.408 3.374 20 10 CGCDRO COC[C@H](C)C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000187260326 636800220 /nfs/dbraw/zinc/80/02/20/636800220.db2.gz HYPQNGKSSXBUEI-CQSZACIVSA-N 1 0 277.408 3.419 20 10 CGCDRO Nc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cc(Cl)ccc1O ZINC000849352718 636818055 /nfs/dbraw/zinc/81/80/55/636818055.db2.gz QJLAHMBXFMSNKW-OAHLLOKOSA-N 1 0 288.778 3.405 20 10 CGCDRO COc1ccc(O)c(C[N@H+](C)C2CCC(C)CC2)c1 ZINC000133503082 636907671 /nfs/dbraw/zinc/90/76/71/636907671.db2.gz FPBYCWKILZTLMA-UHFFFAOYSA-N 1 0 263.381 3.411 20 10 CGCDRO COc1cccc(C[N@H+](C)C2CCC(C)CC2)c1O ZINC000133505227 636909888 /nfs/dbraw/zinc/90/98/88/636909888.db2.gz IYVZLLZXZBWMNV-UHFFFAOYSA-N 1 0 263.381 3.411 20 10 CGCDRO CCOc1ccc(C[NH2+][C@H](C)c2cscn2)c(O)c1 ZINC000850359327 637028022 /nfs/dbraw/zinc/02/80/22/637028022.db2.gz DRCZODLAAXKYRO-SNVBAGLBSA-N 1 0 278.377 3.098 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CCO[C@H]2CC2(F)F)cc1 ZINC000850365994 637030363 /nfs/dbraw/zinc/03/03/63/637030363.db2.gz WLSFZDGIAYDYFH-HNNXBMFYSA-N 1 0 298.377 3.047 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]C[C@@H]2C[C@H](c3ccccc3)CO2)c1 ZINC000850377958 637038547 /nfs/dbraw/zinc/03/85/47/637038547.db2.gz QGCKKXIRIYJWAW-ROUUACIJSA-N 1 0 297.398 3.363 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@]2(C)CC2(F)F)cc1 ZINC000850378878 637039447 /nfs/dbraw/zinc/03/94/47/637039447.db2.gz ATUCHFLFKXEFBN-XVWMLYKFSA-N 1 0 280.362 3.401 20 10 CGCDRO COc1cccc(C[NH2+][C@H](C)C2CCC(F)CC2)c1O ZINC000850395599 637046716 /nfs/dbraw/zinc/04/67/16/637046716.db2.gz IVYOQCFPVLRHFC-LKSINWNRSA-N 1 0 281.371 3.407 20 10 CGCDRO CC(C)CC1([NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000850404287 637050367 /nfs/dbraw/zinc/05/03/67/637050367.db2.gz FHNNDGLLJYUNKV-UHFFFAOYSA-N 1 0 288.435 3.192 20 10 CGCDRO C[C@@H](CSCCF)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000850422796 637055695 /nfs/dbraw/zinc/05/56/95/637055695.db2.gz CVVZTLVGPZKHOV-AWEZNQCLSA-N 1 0 296.455 3.468 20 10 CGCDRO COC1CC(CC[NH2+][C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000850482154 637086169 /nfs/dbraw/zinc/08/61/69/637086169.db2.gz PTFMNOWWHNYBKO-CBCUQQMYSA-N 1 0 276.424 3.218 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+][C@H](C)c3ccco3)C2)cc1 ZINC000850486616 637087530 /nfs/dbraw/zinc/08/75/30/637087530.db2.gz CGIJKSYKMZVSHR-KGLIPLIRSA-N 1 0 286.375 3.218 20 10 CGCDRO CCC[C@@H](C)[NH2+][C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850487887 637087542 /nfs/dbraw/zinc/08/75/42/637087542.db2.gz JXJDFDNHXOLJJR-KGLIPLIRSA-N 1 0 262.397 3.052 20 10 CGCDRO CCC[C@H](CC)[NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850488395 637087690 /nfs/dbraw/zinc/08/76/90/637087690.db2.gz MOHROEHWCUDPHT-LSDHHAIUSA-N 1 0 276.424 3.442 20 10 CGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)CC3CC3)C2)cc1 ZINC000850488157 637087829 /nfs/dbraw/zinc/08/78/29/637087829.db2.gz LNKUUZCBTSMDGM-DZGCQCFKSA-N 1 0 274.408 3.052 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+][C@H]3CCC(C)(C)C3)C2)cc1 ZINC000850489082 637088573 /nfs/dbraw/zinc/08/85/73/637088573.db2.gz QJFICOCXIVIKHS-GJZGRUSLSA-N 1 0 288.435 3.442 20 10 CGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)c3ccccn3)C2)cc1 ZINC000850489456 637088587 /nfs/dbraw/zinc/08/85/87/637088587.db2.gz URLJTBRKABVOSX-HUUCEWRRSA-N 1 0 297.402 3.020 20 10 CGCDRO CCCC[C@H](C)[NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850489399 637088930 /nfs/dbraw/zinc/08/89/30/637088930.db2.gz SXUCOZRSPDGUNF-LSDHHAIUSA-N 1 0 276.424 3.442 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCN(C(C)(C)C)C1)c1ccc(N(C)C)cc1 ZINC000850495014 637091136 /nfs/dbraw/zinc/09/11/36/637091136.db2.gz VALDHGKPRBSXFV-HOCLYGCPSA-N 1 0 289.467 3.276 20 10 CGCDRO CC[C@H](COCC1CC1)[NH2+][C@H](C)c1ccccc1O ZINC000850495299 637091360 /nfs/dbraw/zinc/09/13/60/637091360.db2.gz ZNZZTIKZVMPDHP-TZMCWYRMSA-N 1 0 263.381 3.248 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCc2cnccc2C)c1 ZINC000850506718 637094302 /nfs/dbraw/zinc/09/43/02/637094302.db2.gz KQFHFGKZZVTSRO-AWEZNQCLSA-N 1 0 270.376 3.297 20 10 CGCDRO CCO[C@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)C1 ZINC000850513793 637098153 /nfs/dbraw/zinc/09/81/53/637098153.db2.gz JOVUUWUOSNYXMJ-MRBYEJRBSA-N 1 0 279.355 3.237 20 10 CGCDRO CCO[C@H]1C[C@H]([NH2+][C@H](C)c2ccc(N(C)CC)cc2)C1 ZINC000850515611 637099218 /nfs/dbraw/zinc/09/92/18/637099218.db2.gz ZNOGBIGANVPWKV-FRFSOERESA-N 1 0 276.424 3.361 20 10 CGCDRO C[C@@H]([NH2+][C@H](C)C1(CO)CC1)c1cc2c(cc1O)CCCC2 ZINC000850517112 637100426 /nfs/dbraw/zinc/10/04/26/637100426.db2.gz QSCNGUHZLDSCLB-CHWSQXEVSA-N 1 0 289.419 3.083 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1COC2(CCC2)C1)c1cc(Cl)ccc1O ZINC000850526826 637105123 /nfs/dbraw/zinc/10/51/23/637105123.db2.gz XEDFNEQUBXHOOG-PWSUYJOCSA-N 1 0 281.783 3.408 20 10 CGCDRO COCc1csc(C[NH2+][C@H]2CCc3cccc(O)c32)c1 ZINC000850532157 637109353 /nfs/dbraw/zinc/10/93/53/637109353.db2.gz KEBFZAOWHIQRKK-AWEZNQCLSA-N 1 0 289.400 3.377 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](CO)CC1CC1)c1cc(Cl)ccc1O ZINC000850543940 637115895 /nfs/dbraw/zinc/11/58/95/637115895.db2.gz BAUUFTCKQNLIPW-WFASDCNBSA-N 1 0 297.826 3.495 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCc2ccc(O)cc21)c1ccccc1O ZINC000850543586 637116032 /nfs/dbraw/zinc/11/60/32/637116032.db2.gz MQFNKYXJDLIQAI-MEDUHNTESA-N 1 0 269.344 3.436 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2C[C@H](O)C23CCC3)c1O ZINC000850545392 637116398 /nfs/dbraw/zinc/11/63/98/637116398.db2.gz GSSCTYUCHRZDNC-BPNCWPANSA-N 1 0 295.810 3.308 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CC2CCC(O)CC2)c(O)c1 ZINC000850553572 637118708 /nfs/dbraw/zinc/11/87/08/637118708.db2.gz YXNHNHCTTJNVMS-WLYUNCDWSA-N 1 0 277.408 3.211 20 10 CGCDRO CCCN1CC[C@H]([NH2+][C@H](CC)c2ccc(C)cc2O)C1 ZINC000850557621 637121138 /nfs/dbraw/zinc/12/11/38/637121138.db2.gz XEECVIWAHSTBNR-GOEBONIOSA-N 1 0 276.424 3.226 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCOC2(C)C)c(O)c1C ZINC000850571755 637128902 /nfs/dbraw/zinc/12/89/02/637128902.db2.gz VULYOZUORGPTRK-UONOGXRCSA-N 1 0 277.408 3.475 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+][C@@H](C)c2nccn2C)c(O)c1 ZINC000850572296 637129856 /nfs/dbraw/zinc/12/98/56/637129856.db2.gz JIPXZGZMICNGJE-OLZOCXBDSA-N 1 0 273.380 3.154 20 10 CGCDRO Cc1coc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)c1 ZINC000885954082 637329504 /nfs/dbraw/zinc/32/95/04/637329504.db2.gz NAXPIJVXYGDGFO-UHFFFAOYSA-N 1 0 262.328 3.083 20 10 CGCDRO CO[C@H]1CCC[C@@H]([NH2+][C@@H](C)c2ccccc2O)CC1 ZINC000886186053 637452957 /nfs/dbraw/zinc/45/29/57/637452957.db2.gz OTQIUEWFIKFPDE-MJBXVCDLSA-N 1 0 263.381 3.391 20 10 CGCDRO O=C(C=C1CC[NH2+]CC1)N(CC1CCC1)c1ccccc1 ZINC000852848101 637718607 /nfs/dbraw/zinc/71/86/07/637718607.db2.gz AHPWRUJTLJMAOE-UHFFFAOYSA-N 1 0 284.403 3.130 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@]2(C)CCCOC2)cc1 ZINC000221372756 637729186 /nfs/dbraw/zinc/72/91/86/637729186.db2.gz QIQPELDGBGFAHK-QGZVFWFLSA-N 1 0 276.424 3.192 20 10 CGCDRO C[C@]1([NH2+]Cc2ccc(N3CCCCC3)cc2)CCCOC1 ZINC000221342149 637730106 /nfs/dbraw/zinc/73/01/06/637730106.db2.gz MBFURFQQYRZDAP-SFHVURJKSA-N 1 0 288.435 3.336 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccnn1CC)c1ccc(N(C)C)cc1 ZINC000853242061 637792879 /nfs/dbraw/zinc/79/28/79/637792879.db2.gz ZYFSFNDNUYGHMN-QGZVFWFLSA-N 1 0 286.423 3.210 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)cc1C(C)C ZINC000853585618 637870512 /nfs/dbraw/zinc/87/05/12/637870512.db2.gz HSFKYWRXAKVSOE-ZBFHGGJFSA-N 1 0 289.419 3.292 20 10 CGCDRO CCC[N@H+](CCN1CCCCC1)Cc1ccccc1O ZINC000112680213 638104449 /nfs/dbraw/zinc/10/44/49/638104449.db2.gz HYAROJQRNFLFLI-UHFFFAOYSA-N 1 0 276.424 3.090 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cccc(OC)n1 ZINC000924575621 638366068 /nfs/dbraw/zinc/36/60/68/638366068.db2.gz XPSWGVALPRRYIF-INIZCTEOSA-N 1 0 299.418 3.397 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C2[C@H](C)COC[C@H]2C)cc1 ZINC000924707824 638392274 /nfs/dbraw/zinc/39/22/74/638392274.db2.gz ATGOWYMYPJNPRW-HUUCEWRRSA-N 1 0 290.451 3.293 20 10 CGCDRO CC1(c2ccccc2)C[NH+](Cc2ccccc2O)C1 ZINC000857057832 638445523 /nfs/dbraw/zinc/44/55/23/638445523.db2.gz FFTKHKFIOANPGR-UHFFFAOYSA-N 1 0 253.345 3.166 20 10 CGCDRO COc1ccc(F)c(C[NH2+][C@@H]2CCc3cccc(O)c32)c1 ZINC000857080467 638454052 /nfs/dbraw/zinc/45/40/52/638454052.db2.gz GUHGVNYBBILJMY-OAHLLOKOSA-N 1 0 287.334 3.317 20 10 CGCDRO CC[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1ccc(F)cc1[O-] ZINC000925842208 638629653 /nfs/dbraw/zinc/62/96/53/638629653.db2.gz YJMOXOIOYNZXCB-DJIMGWMZSA-N 1 0 292.398 3.104 20 10 CGCDRO CN(C)c1cc(F)c(C[NH2+][C@H]2CC=CCC2)cc1F ZINC000858140246 638640152 /nfs/dbraw/zinc/64/01/52/638640152.db2.gz AHQBSZUPHKXLEP-LBPRGKRZSA-N 1 0 266.335 3.229 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2c[nH]nc2C(C)(C)C)c1 ZINC000858236948 638661200 /nfs/dbraw/zinc/66/12/00/638661200.db2.gz BJNYFHHZNJCYHW-UHFFFAOYSA-N 1 0 273.380 3.011 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000858237162 638661847 /nfs/dbraw/zinc/66/18/47/638661847.db2.gz HZBCQAUVLLDCBR-UHFFFAOYSA-N 1 0 286.331 3.207 20 10 CGCDRO C/C=C/C[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000858290874 638673223 /nfs/dbraw/zinc/67/32/23/638673223.db2.gz IWUWTDUISJQQLW-VOTSOKGWSA-N 1 0 263.381 3.364 20 10 CGCDRO CC(C)CC[C@@H](CO)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000858486581 638739771 /nfs/dbraw/zinc/73/97/71/638739771.db2.gz WEHVBACJZQWUBE-ZBFHGGJFSA-N 1 0 278.440 3.200 20 10 CGCDRO C/C=C/C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000858537980 638757675 /nfs/dbraw/zinc/75/76/75/638757675.db2.gz RHBZSJPPNUDAQH-OOPCZODUSA-N 1 0 294.826 3.403 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CO[C@H](C2CC2)C1)c1cc(Cl)ccc1O ZINC000858547733 638759384 /nfs/dbraw/zinc/75/93/84/638759384.db2.gz OAZWZLSJYTXLTN-FMSQNYNMSA-N 1 0 281.783 3.264 20 10 CGCDRO CC(C)[C@H]([NH2+][C@H](C)c1cc(F)ccc1O)c1cnn(C)c1 ZINC000927068438 638837652 /nfs/dbraw/zinc/83/76/52/638837652.db2.gz JEBWRUVUPYLOPN-BZNIZROVSA-N 1 0 291.370 3.313 20 10 CGCDRO CCc1onc(C)c1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000927133705 638846186 /nfs/dbraw/zinc/84/61/86/638846186.db2.gz DBYVSZALRZDRQJ-CYBMUJFWSA-N 1 0 272.348 3.028 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C2([C@H]3CCCCO3)CC2)c(O)c1 ZINC000927162810 638849198 /nfs/dbraw/zinc/84/91/98/638849198.db2.gz SZVYAVJPIGFFQS-XJKSGUPXSA-N 1 0 275.392 3.453 20 10 CGCDRO COCCC1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000859402227 639136015 /nfs/dbraw/zinc/13/60/15/639136015.db2.gz SONWTLUICYCLKS-UHFFFAOYSA-N 1 0 276.424 3.001 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H](SC)C2)c(O)c1 ZINC000117393874 639326556 /nfs/dbraw/zinc/32/65/56/639326556.db2.gz RXMWMMGNPXFFPA-TZMCWYRMSA-N 1 0 281.421 3.165 20 10 CGCDRO Cn1c(-c2ccccc2)cnc1SC[C@@H]1CC[N@H+](C)C1 ZINC000187671586 640093640 /nfs/dbraw/zinc/09/36/40/640093640.db2.gz ISGFPNGSNAHNKQ-CYBMUJFWSA-N 1 0 287.432 3.131 20 10 CGCDRO CCOC[C@@H]([NH2+]Cc1cc(Cl)ccc1O)C(C)C ZINC000188867005 640154794 /nfs/dbraw/zinc/15/47/94/640154794.db2.gz ZVNRUGDDPGIODM-CYBMUJFWSA-N 1 0 271.788 3.196 20 10 CGCDRO C[C@H]([NH2+]CCCOC(F)F)c1ccc(N(C)C)cc1 ZINC000194041005 640508819 /nfs/dbraw/zinc/50/88/19/640508819.db2.gz WGJIEVDRENNOLY-NSHDSACASA-N 1 0 272.339 3.033 20 10 CGCDRO CC(C)COCCC[NH2+]Cc1c(O)cccc1Cl ZINC000083551599 640596636 /nfs/dbraw/zinc/59/66/36/640596636.db2.gz FZERFHKWLFELQT-UHFFFAOYSA-N 1 0 271.788 3.198 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCOC1)c1ccc(N2CCCCC2)cc1 ZINC000090774193 640692555 /nfs/dbraw/zinc/69/25/55/640692555.db2.gz HVSHNTGHHPICDZ-HOCLYGCPSA-N 1 0 274.408 3.116 20 10 CGCDRO C[N@H+](Cc1c[nH]nc1C(C)(C)C)Cc1ccccc1O ZINC000091974513 640728051 /nfs/dbraw/zinc/72/80/51/640728051.db2.gz XGHAVLGHCCPUKX-UHFFFAOYSA-N 1 0 273.380 3.045 20 10 CGCDRO Cc1noc(C)c1[C@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000092328235 640735321 /nfs/dbraw/zinc/73/53/21/640735321.db2.gz IWWOXVKWGKZOCS-ZJUUUORDSA-N 1 0 260.337 3.409 20 10 CGCDRO CCN(CC)c1ccc(C[NH+]2CCC(COC)CC2)cc1 ZINC000093103816 640757190 /nfs/dbraw/zinc/75/71/90/640757190.db2.gz YVASPFBUWSILCY-UHFFFAOYSA-N 1 0 290.451 3.391 20 10 CGCDRO C[C@H](C[NH2+][C@@H](C)c1cc(F)ccc1O)N1CCC[C@@H](C)C1 ZINC000248480618 640763329 /nfs/dbraw/zinc/76/33/29/640763329.db2.gz ATJLDWJAVZLIGC-MCIONIFRSA-N 1 0 294.414 3.302 20 10 CGCDRO COc1cccc(C[N@@H+]2CC[C@H](CC(C)C)C2)c1O ZINC000093338540 640768180 /nfs/dbraw/zinc/76/81/80/640768180.db2.gz HFSUVXIJDHMWEG-CYBMUJFWSA-N 1 0 263.381 3.269 20 10 CGCDRO C[C@@H]([NH2+]Cc1cccs1)c1cc(F)ccc1O ZINC000094616918 640798392 /nfs/dbraw/zinc/79/83/92/640798392.db2.gz UVZTYIHFRYZFBO-SECBINFHSA-N 1 0 251.326 3.444 20 10 CGCDRO C[C@H]([NH2+]CC1(N(C)C)CCCCC1)c1cc(F)ccc1O ZINC000094616791 640798859 /nfs/dbraw/zinc/79/88/59/640798859.db2.gz BUISXKXBAGRKQX-ZDUSSCGKSA-N 1 0 294.414 3.446 20 10 CGCDRO CC[C@@H]1COCC[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC000096810777 640839222 /nfs/dbraw/zinc/83/92/22/640839222.db2.gz AIGDOQQUVNUNEB-CQSZACIVSA-N 1 0 271.360 3.156 20 10 CGCDRO CC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1ccccc1O ZINC000305750359 640902575 /nfs/dbraw/zinc/90/25/75/640902575.db2.gz ZHXLDKCPLLJDBQ-QGZVFWFLSA-N 1 0 285.387 3.165 20 10 CGCDRO CN(C)c1ccc(-c2nc3cc(C[NH+](C)C)ccc3[nH]2)cc1 ZINC001250468588 805636191 /nfs/dbraw/zinc/63/61/91/805636191.db2.gz GIBSJUUWMUIHRH-UHFFFAOYSA-N 1 0 294.402 3.358 20 10 CGCDRO CCC[C@H](O)C[NH2+][C@@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001252809920 806125656 /nfs/dbraw/zinc/12/56/56/806125656.db2.gz UNWRQYAXGLRTJV-SUMWQHHRSA-N 1 0 291.435 3.383 20 10 CGCDRO CN(c1ccc2c(c1)CC[NH2+]C2)c1cc(Cl)ccc1N ZINC001159684420 806149149 /nfs/dbraw/zinc/14/91/49/806149149.db2.gz AHLSKXLCXWSXNR-UHFFFAOYSA-N 1 0 287.794 3.336 20 10 CGCDRO Cc1cc(C)c(CNc2cccc(N(C)C)[nH+]2)c(O)c1 ZINC001160807760 806304335 /nfs/dbraw/zinc/30/43/35/806304335.db2.gz BZACHNCWLJWBHT-UHFFFAOYSA-N 1 0 271.364 3.082 20 10 CGCDRO CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])C1 ZINC001254720987 806487161 /nfs/dbraw/zinc/48/71/61/806487161.db2.gz FGJVCEOTZTWQGH-VXGBXAGGSA-N 1 0 298.377 3.053 20 10 CGCDRO C[C@H](CN1CCCCC1)[NH2+]Cc1cc(Cl)ccc1O ZINC000037154197 798860328 /nfs/dbraw/zinc/86/03/28/798860328.db2.gz QBJDSCQTAMDOQG-GFCCVEGCSA-N 1 0 282.815 3.010 20 10 CGCDRO CC(C)C[C@H](C[NH2+][C@@H](C)c1ccc(N(C)C)cc1)N(C)C ZINC000037240715 798863774 /nfs/dbraw/zinc/86/37/74/798863774.db2.gz OACDTIMDGRHDGO-MAUKXSAKSA-N 1 0 291.483 3.380 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H]2CCC[C@@H](C)C2)c1O ZINC000037254229 798863829 /nfs/dbraw/zinc/86/38/29/798863829.db2.gz URWIHWYJJPRQMU-TZMCWYRMSA-N 1 0 263.381 3.459 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2Cc3ccccc32)cc1 ZINC000037565172 798868814 /nfs/dbraw/zinc/86/88/14/798868814.db2.gz XNLVIHMPPGWTRR-INIZCTEOSA-N 1 0 266.388 3.182 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2Cc3ccccc32)c1 ZINC000037565479 798868864 /nfs/dbraw/zinc/86/88/64/798868864.db2.gz AKARVYJBKVQWGI-OCCSQVGLSA-N 1 0 283.371 3.391 20 10 CGCDRO COCc1cccc(C[NH2+]Cc2cc(Cl)ccc2O)c1 ZINC000038010572 798883330 /nfs/dbraw/zinc/88/33/30/798883330.db2.gz JNZPVPZHMMGFMS-UHFFFAOYSA-N 1 0 291.778 3.482 20 10 CGCDRO C[C@H]1C[C@H](C)[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000161294373 799079388 /nfs/dbraw/zinc/07/93/88/799079388.db2.gz GGCFNNMQLJZFCB-UWVGGRQHSA-N 1 0 284.197 3.385 20 10 CGCDRO COCC1(C[NH2+]Cc2ccc(N3CCCC3)cc2)CCC1 ZINC000314235117 799233831 /nfs/dbraw/zinc/23/38/31/799233831.db2.gz WNQMYKCWQQGOMJ-UHFFFAOYSA-N 1 0 288.435 3.193 20 10 CGCDRO OC[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC000378921474 799345717 /nfs/dbraw/zinc/34/57/17/799345717.db2.gz CVVZMASMMYGHCG-IBGZPJMESA-N 1 0 296.414 3.110 20 10 CGCDRO CSCCCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000380124441 799358803 /nfs/dbraw/zinc/35/88/03/799358803.db2.gz NJTHQVGYPXSDLQ-LBPRGKRZSA-N 1 0 251.395 3.112 20 10 CGCDRO Cc1ccoc1C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000380605091 799364652 /nfs/dbraw/zinc/36/46/52/799364652.db2.gz FSIDSYIVMOMMFK-UHFFFAOYSA-N 1 0 270.376 3.478 20 10 CGCDRO C[C@H]1CC[N@H+](Cc2cc(Br)ccc2O)[C@H]1C ZINC000380726795 799365654 /nfs/dbraw/zinc/36/56/54/799365654.db2.gz FWIKOHVJPIUNHQ-UWVGGRQHSA-N 1 0 284.197 3.385 20 10 CGCDRO CC[C@@H](C)[C@H](C[NH2+]Cc1cc(Cl)ccc1O)OC ZINC000381136755 799373136 /nfs/dbraw/zinc/37/31/36/799373136.db2.gz IKZYMEJYPQAISM-YGRLFVJLSA-N 1 0 271.788 3.196 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](OC)C(C)C)cc1 ZINC000381641561 799384838 /nfs/dbraw/zinc/38/48/38/799384838.db2.gz MUXGKTCNULSJCA-QGZVFWFLSA-N 1 0 278.440 3.293 20 10 CGCDRO CC[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)C1CCCC1 ZINC000382778753 799397211 /nfs/dbraw/zinc/39/72/11/799397211.db2.gz QKPCVTUXRSVACT-ZDUSSCGKSA-N 1 0 277.364 3.179 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2COc3ccccc3O2)c(O)c1 ZINC000386195318 799432778 /nfs/dbraw/zinc/43/27/78/799432778.db2.gz IZZSXRYTUONHRG-ZIAGYGMSSA-N 1 0 299.370 3.191 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@H](CO)C1CCCC1 ZINC000386230395 799432789 /nfs/dbraw/zinc/43/27/89/799432789.db2.gz WYXQMGWBHQWBLY-BPLDGKMQSA-N 1 0 289.419 3.390 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)[C@H]2CCCOC2)c1 ZINC000388485325 799454199 /nfs/dbraw/zinc/45/41/99/799454199.db2.gz PJOCPOWNHIGMRH-IHRRRGAJSA-N 1 0 263.381 3.166 20 10 CGCDRO CC[C@]1([NH2+]Cc2ccc(N3CCCCC3)cc2)CCOC1 ZINC000393494767 799487198 /nfs/dbraw/zinc/48/71/98/799487198.db2.gz OSPGSYBIPCMOCI-SFHVURJKSA-N 1 0 288.435 3.336 20 10 CGCDRO CC(C)C1([NH2+]Cc2cc(Br)ccc2O)CC1 ZINC000393924372 799492560 /nfs/dbraw/zinc/49/25/60/799492560.db2.gz DYLDWPNGUQZXHI-UHFFFAOYSA-N 1 0 284.197 3.433 20 10 CGCDRO CC[C@@H](C)[C@H](C[NH2+]Cc1ccc2c(c1)CCCN2C)OC ZINC000394475600 799497384 /nfs/dbraw/zinc/49/73/84/799497384.db2.gz HSUPMXUSGYCIOY-KDOFPFPSSA-N 1 0 290.451 3.220 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CC23CCCC3)c1 ZINC000395658934 799507497 /nfs/dbraw/zinc/50/74/97/799507497.db2.gz XFTFUZZGGRKYNM-XHDPSFHLSA-N 1 0 261.365 3.384 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cnc(C)cc2C)c1 ZINC000397068311 799513275 /nfs/dbraw/zinc/51/32/75/799513275.db2.gz WWRWQMSHNKGBAW-CYBMUJFWSA-N 1 0 286.375 3.263 20 10 CGCDRO C[C@]1(C[NH2+]Cc2ccc(N3CCCCC3)cc2)CCOC1 ZINC000397290721 799514904 /nfs/dbraw/zinc/51/49/04/799514904.db2.gz LGRBARSDGAOMHV-GOSISDBHSA-N 1 0 288.435 3.193 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H]1C[C@H](C)O[C@H]1C)c1ccccc1O ZINC000686510285 799734320 /nfs/dbraw/zinc/73/43/20/799734320.db2.gz AKUSOYARYZYINV-ABHRYQDASA-N 1 0 263.381 3.246 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCc2cccc(C)n2)c(O)c1 ZINC000689465987 799764209 /nfs/dbraw/zinc/76/42/09/799764209.db2.gz VWAMTPPWCUVFPN-CQSZACIVSA-N 1 0 270.376 3.297 20 10 CGCDRO CC1CC([NH2+]Cc2ccc(Br)cc2O)C1 ZINC000691395513 799783830 /nfs/dbraw/zinc/78/38/30/799783830.db2.gz MTLZDYHQWKBIEA-UHFFFAOYSA-N 1 0 270.170 3.043 20 10 CGCDRO CC1(CC[NH2+]Cc2ccc(Br)cc2O)CC1 ZINC000691445053 799783849 /nfs/dbraw/zinc/78/38/49/799783849.db2.gz OCCOIKUNHPDTFR-UHFFFAOYSA-N 1 0 284.197 3.435 20 10 CGCDRO Oc1cc(Br)ccc1C[NH2+]C1(C2CC2)CC1 ZINC000691454413 799784293 /nfs/dbraw/zinc/78/42/93/799784293.db2.gz LEVWYUFURCYWKD-UHFFFAOYSA-N 1 0 282.181 3.187 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@@H]2CCCSC2)c1O ZINC000691449462 799784308 /nfs/dbraw/zinc/78/43/08/799784308.db2.gz UBLZTHFSKCGWOA-LBPRGKRZSA-N 1 0 265.422 3.187 20 10 CGCDRO CCC[C@]1([NH2+]Cc2cccc(CC)c2O)CCOC1 ZINC000691520946 799784933 /nfs/dbraw/zinc/78/49/33/799784933.db2.gz DKKZUNJFQQSIIM-INIZCTEOSA-N 1 0 263.381 3.003 20 10 CGCDRO CCc1cccc(C[NH2+]Cc2csc(C)n2)c1O ZINC000691491928 799785750 /nfs/dbraw/zinc/78/57/50/799785750.db2.gz FOGSEEMCBWDNBT-UHFFFAOYSA-N 1 0 262.378 3.009 20 10 CGCDRO CCSC1(C[NH2+]Cc2cccc(CC)c2O)CC1 ZINC000691868035 799789907 /nfs/dbraw/zinc/78/99/07/799789907.db2.gz JTKVELRKGKNFEB-UHFFFAOYSA-N 1 0 265.422 3.330 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCCSCC1)c1ccccc1O ZINC000692498673 799795680 /nfs/dbraw/zinc/79/56/80/799795680.db2.gz DRGOPUHLQURRDB-VXGBXAGGSA-N 1 0 251.395 3.329 20 10 CGCDRO CC(C)[C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000694440909 799821387 /nfs/dbraw/zinc/82/13/87/799821387.db2.gz BRQCWXIWUDTWRD-GFCCVEGCSA-N 1 0 251.345 3.399 20 10 CGCDRO Nc1ccc(CC[NH2+][C@H]2CCCC[C@@H]2C2CC2)cc1 ZINC000695959863 799835538 /nfs/dbraw/zinc/83/55/38/799835538.db2.gz VVYYZUXNQNHYGQ-SJORKVTESA-N 1 0 258.409 3.370 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@@H](C)CC(F)F)c1O ZINC000697716044 799848023 /nfs/dbraw/zinc/84/80/23/799848023.db2.gz JAXALXQGZVZXCU-JTQLQIEISA-N 1 0 257.324 3.336 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCc2cccc(O)c21)c1cscn1 ZINC000697819221 799850596 /nfs/dbraw/zinc/85/05/96/799850596.db2.gz JWJCAADJHZWCDQ-ONGXEEELSA-N 1 0 260.362 3.187 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]CCSCC(F)(F)F)CC2 ZINC000698953616 799858238 /nfs/dbraw/zinc/85/82/38/799858238.db2.gz RZRPSHSBFNJKTG-JTQLQIEISA-N 1 0 291.338 3.265 20 10 CGCDRO CCO[C@H]1CC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000701668372 799892612 /nfs/dbraw/zinc/89/26/12/799892612.db2.gz PWVHPZQSCMZLAV-AWEZNQCLSA-N 1 0 271.360 3.156 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]CCC2(F)CCC2)c1O ZINC000702486802 799909977 /nfs/dbraw/zinc/90/99/77/799909977.db2.gz FSMADFGYXJRRCP-UHFFFAOYSA-N 1 0 287.762 3.426 20 10 CGCDRO CCC[C@@H](C[NH2+][C@H](C)c1cc(OC)ccc1O)OCC ZINC000705345222 799947975 /nfs/dbraw/zinc/94/79/75/799947975.db2.gz WRKYLVJVNNQFNG-OCCSQVGLSA-N 1 0 281.396 3.257 20 10 CGCDRO CCCO[C@H]1CC[N@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000706503050 799963457 /nfs/dbraw/zinc/96/34/57/799963457.db2.gz BBVAZOASTZJCMH-ZDUSSCGKSA-N 1 0 299.798 3.055 20 10 CGCDRO C[C@H]([NH2+]Cc1c(O)cccc1Br)C1CC1 ZINC000706834227 799967692 /nfs/dbraw/zinc/96/76/92/799967692.db2.gz PDNIEVXFVQKMKB-QMMMGPOBSA-N 1 0 270.170 3.043 20 10 CGCDRO [O-]c1c(F)cc(F)cc1C[N@@H+]1CCC[C@H](CCF)C1 ZINC000708440937 799988780 /nfs/dbraw/zinc/98/87/80/799988780.db2.gz FXVWZLPEISJKOP-SNVBAGLBSA-N 1 0 273.298 3.242 20 10 CGCDRO COc1cccc(C[N@@H+]2CC[C@H](C3CCCC3)C2)c1O ZINC000708870485 799999582 /nfs/dbraw/zinc/99/95/82/799999582.db2.gz QKCFKYFIOCVWFT-AWEZNQCLSA-N 1 0 275.392 3.413 20 10 CGCDRO Cc1ccc(CC[NH2+][C@@H](C)c2cc(C)ccc2O)o1 ZINC000709746676 800017824 /nfs/dbraw/zinc/01/78/24/800017824.db2.gz QWSFHKBZYUPYJX-ZDUSSCGKSA-N 1 0 259.349 3.495 20 10 CGCDRO CCc1cccc(C[NH2+]CC[C@H]2CCCS2)c1O ZINC000715667165 800142703 /nfs/dbraw/zinc/14/27/03/800142703.db2.gz KSVOWDVQUSRCGR-CQSZACIVSA-N 1 0 265.422 3.330 20 10 CGCDRO Oc1ccccc1C[NH2+]CC1C[C@H]2CC[C@@H](C1)S2 ZINC000716079249 800165100 /nfs/dbraw/zinc/16/51/00/800165100.db2.gz BTNUNZFARXGTHJ-QXMXGUDHSA-N 1 0 263.406 3.156 20 10 CGCDRO CC[C@H]([NH2+]C[C@H]1CC(C)(C)CO1)c1ccccc1O ZINC000717318317 800199230 /nfs/dbraw/zinc/19/92/30/800199230.db2.gz NSCBQBNJXUXLFL-OCCSQVGLSA-N 1 0 263.381 3.248 20 10 CGCDRO Oc1cccc(Br)c1C[NH2+]CC1CC=CC1 ZINC000717372129 800201001 /nfs/dbraw/zinc/20/10/01/800201001.db2.gz AOAUJZHDOIFELH-UHFFFAOYSA-N 1 0 282.181 3.211 20 10 CGCDRO COCC(C)(C)CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC000718774138 800223185 /nfs/dbraw/zinc/22/31/85/800223185.db2.gz OOLMAASJCPVWFT-UHFFFAOYSA-N 1 0 265.397 3.156 20 10 CGCDRO CC[C@H]([NH2+]C[C@H]1CC[C@@H](C2CC2)O1)c1ccccc1O ZINC000722333770 800314979 /nfs/dbraw/zinc/31/49/79/800314979.db2.gz OELJLGHBDNICPD-KMFMINBZSA-N 1 0 275.392 3.391 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)c1ccccc1O)[C@@H]1CCCOC1 ZINC000724012710 800352629 /nfs/dbraw/zinc/35/26/29/800352629.db2.gz IBYLVWSPZUWTIY-NFAWXSAZSA-N 1 0 263.381 3.248 20 10 CGCDRO C[C@H]([NH2+][C@@H](CCO)C1CCCC1)c1cc(F)ccc1O ZINC000725086549 800371518 /nfs/dbraw/zinc/37/15/18/800371518.db2.gz UHCRUQKFFZLQIC-NHYWBVRUSA-N 1 0 281.371 3.123 20 10 CGCDRO Cc1cccc(C[NH2+]C[C@@]2(C)CC2(Cl)Cl)c1O ZINC000824765532 800472123 /nfs/dbraw/zinc/47/21/23/800472123.db2.gz NCKMXPQPTJIISQ-GFCCVEGCSA-N 1 0 274.191 3.374 20 10 CGCDRO C[C@H](Cc1ccncc1)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001256720850 806957272 /nfs/dbraw/zinc/95/72/72/806957272.db2.gz ZROJBHGDQPLNAW-MRXNPFEDSA-N 1 0 295.430 3.403 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1N(C)C)c1ccc(N(C)C)cc1 ZINC001116296472 802327891 /nfs/dbraw/zinc/32/78/91/802327891.db2.gz ULMTXSOBNSXNPO-BMGDILEWSA-N 1 0 289.467 3.276 20 10 CGCDRO CO[C@@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)CC[C@@H]1C ZINC001116721086 802401648 /nfs/dbraw/zinc/40/16/48/802401648.db2.gz PVQXGGIPXSABGR-MAUKXSAKSA-N 1 0 288.435 3.144 20 10 CGCDRO CO[C@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)CC[C@H]1C ZINC001116721087 802401693 /nfs/dbraw/zinc/40/16/93/802401693.db2.gz PVQXGGIPXSABGR-QAPCUYQASA-N 1 0 288.435 3.144 20 10 CGCDRO COc1ccc(CC[NH2+][C@H](C)c2ccc(N(C)C)cc2)cn1 ZINC001118864038 802613155 /nfs/dbraw/zinc/61/31/55/802613155.db2.gz AXVNUFSRWKLNCJ-CQSZACIVSA-N 1 0 299.418 3.050 20 10 CGCDRO COc1ccc(C[N@@H+]2CC[C@@H](CC(C)C)C2)c(O)c1OC ZINC001120018110 802725643 /nfs/dbraw/zinc/72/56/43/802725643.db2.gz MJUJXNOQSSTKFI-ZDUSSCGKSA-N 1 0 293.407 3.277 20 10 CGCDRO CCOc1cccc(C[N@H+](CCCCCO)C(C)C)c1O ZINC001203615338 812406317 /nfs/dbraw/zinc/40/63/17/812406317.db2.gz REPNBEPWSIVQNF-UHFFFAOYSA-N 1 0 295.423 3.164 20 10 CGCDRO Cc1cc(C[N@@H+]2CCC[C@@](C)(O)C2)c(C)n1-c1ccccc1 ZINC001137857199 803786374 /nfs/dbraw/zinc/78/63/74/803786374.db2.gz BWHRNTUKJUVIDD-LJQANCHMSA-N 1 0 298.430 3.441 20 10 CGCDRO [O-]c1c(F)cccc1C[N@H+]1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001138123863 803864604 /nfs/dbraw/zinc/86/46/04/803864604.db2.gz ORLMCFXYNOGBQU-PHIMTYICSA-N 1 0 271.282 3.008 20 10 CGCDRO c1cc(N2CCCCC2)ccc1C[N@@H+]1CCCC12COC2 ZINC001138220052 803873871 /nfs/dbraw/zinc/87/38/71/803873871.db2.gz YAJZXJCJRMIGOQ-UHFFFAOYSA-N 1 0 286.419 3.042 20 10 CGCDRO C[C@H]1CC[C@@H](CO)[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC001138215688 803874016 /nfs/dbraw/zinc/87/40/16/803874016.db2.gz PCNIRVNJHNXMHC-YJBOKZPZSA-N 1 0 288.435 3.022 20 10 CGCDRO Cc1c(C[N@@H+]2CC[C@@H](O)[C@@H](C)CC2)c2ccccc2n1C ZINC001138252279 803880250 /nfs/dbraw/zinc/88/02/50/803880250.db2.gz AKPLSGHEHSBRTR-SCLBCKFNSA-N 1 0 286.419 3.080 20 10 CGCDRO Cc1ccc(C[N@@H+](C)Cc2ccc3c(c2)CCCN3C)cn1 ZINC001138357126 803902431 /nfs/dbraw/zinc/90/24/31/803902431.db2.gz BQWWYYMXWMVDEI-UHFFFAOYSA-N 1 0 295.430 3.404 20 10 CGCDRO CCO[C@H]1CCC[N@H+](Cc2ccc3c(c2)CCCN3C)C1 ZINC001138357790 803902499 /nfs/dbraw/zinc/90/24/99/803902499.db2.gz KMUMLZKFPNDJJO-KRWDZBQOSA-N 1 0 288.435 3.070 20 10 CGCDRO CN1CCCc2cc(C[N@@H+]3CCc4ncccc4C3)ccc21 ZINC001138357773 803903452 /nfs/dbraw/zinc/90/34/52/803903452.db2.gz JWDAJKIPRGHWBQ-UHFFFAOYSA-N 1 0 293.414 3.022 20 10 CGCDRO COc1ccc(C)cc1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001138487268 803949173 /nfs/dbraw/zinc/94/91/73/803949173.db2.gz KAKLLIQTLVPSJV-UHFFFAOYSA-N 1 0 283.371 3.268 20 10 CGCDRO Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CCC(C)(C)C1 ZINC001139129046 804134436 /nfs/dbraw/zinc/13/44/36/804134436.db2.gz MENLHMGYHZBZIC-UHFFFAOYSA-N 1 0 287.359 3.039 20 10 CGCDRO Cc1cc(C[N@@H+]2CCc3cc(O)ccc3C2)ccc1N(C)C ZINC001139670173 804248662 /nfs/dbraw/zinc/24/86/62/804248662.db2.gz JJPYKHJFMAQCJJ-UHFFFAOYSA-N 1 0 296.414 3.325 20 10 CGCDRO Oc1ccc(F)cc1CN1CCc2cc(F)c(F)cc2C1 ZINC001140056296 804362345 /nfs/dbraw/zinc/36/23/45/804362345.db2.gz PZDLAXLHMLUCHQ-UHFFFAOYSA-N 1 0 293.288 3.368 20 10 CGCDRO Oc1ccc(F)cc1C[N@@H+]1C[C@@H](CF)[C@H](C(F)(F)F)C1 ZINC001140057425 804365318 /nfs/dbraw/zinc/36/53/18/804365318.db2.gz HGBQXIFECCVOIX-MWLCHTKSSA-N 1 0 295.251 3.111 20 10 CGCDRO Cc1ccc(C)c(C[NH+]2CCN(c3ccccc3)CC2)c1O ZINC001140180996 804395838 /nfs/dbraw/zinc/39/58/38/804395838.db2.gz SCWVFKVOLPWFNH-UHFFFAOYSA-N 1 0 296.414 3.331 20 10 CGCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@H](c3ccccn3)C2)c1O ZINC001140180352 804396282 /nfs/dbraw/zinc/39/62/82/804396282.db2.gz VNNOZUWGCLYJOQ-HNNXBMFYSA-N 1 0 282.387 3.394 20 10 CGCDRO Cc1ccc(O)c(CN2CCC[C@H](F)C(F)(F)C2)c1 ZINC001140617499 804476794 /nfs/dbraw/zinc/47/67/94/804476794.db2.gz RHSXKPPTDPLHPB-ZDUSSCGKSA-N 1 0 273.298 3.270 20 10 CGCDRO Cc1c(O)ccc(C[N@H+]2CCC[C@H](C)[C@@H](C)C2)c1O ZINC001140742162 804502542 /nfs/dbraw/zinc/50/25/42/804502542.db2.gz JFGADYBWMLJGRZ-RYUDHWBXSA-N 1 0 263.381 3.274 20 10 CGCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@@H]3CCC[C@@H]3C2)c1O ZINC001140744437 804503420 /nfs/dbraw/zinc/50/34/20/804503420.db2.gz XFCYNWZCNYIDJZ-QWHCGFSZSA-N 1 0 261.365 3.028 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)c(O)c1 ZINC001140855099 804533642 /nfs/dbraw/zinc/53/36/42/804533642.db2.gz NGPKURQQDYOLOQ-CWRNSKLLSA-N 1 0 292.398 3.171 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)C2CC(F)(F)C2)c(O)c1 ZINC001140850243 804534194 /nfs/dbraw/zinc/53/41/94/804534194.db2.gz HVHSAZFEJRIALB-UHFFFAOYSA-N 1 0 298.377 3.468 20 10 CGCDRO CCCOC1CC[NH+](Cc2ccc(C)cc2O)CC1 ZINC001140949849 804556260 /nfs/dbraw/zinc/55/62/60/804556260.db2.gz NGTZLSCVMZWOTE-UHFFFAOYSA-N 1 0 263.381 3.092 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCC[C@@H]2Cc2ccccn2)c(O)c1 ZINC001140950193 804557202 /nfs/dbraw/zinc/55/72/02/804557202.db2.gz UYNJHYDESBBOEV-QGZVFWFLSA-N 1 0 282.387 3.303 20 10 CGCDRO Cc1ccc(C[N@H+]2CCN(C)[C@@H](c3ccccc3)C2)c(O)c1 ZINC001140950056 804559065 /nfs/dbraw/zinc/55/90/65/804559065.db2.gz SRVLKBHGCNBHKK-GOSISDBHSA-N 1 0 296.414 3.189 20 10 CGCDRO COc1cc(O)c(C[NH+]2[C@H](C)CCC[C@H]2C)c(OC)c1 ZINC001141031262 804575765 /nfs/dbraw/zinc/57/57/65/804575765.db2.gz AKEZPJKDYZCJGO-VXGBXAGGSA-N 1 0 279.380 3.172 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccn3ccnc3c2)cc1 ZINC001141049500 804578058 /nfs/dbraw/zinc/57/80/58/804578058.db2.gz HWKIEZIWPGIUOI-UHFFFAOYSA-N 1 0 294.402 3.032 20 10 CGCDRO C[C@H]1CCC[N@H+](Cc2ccc3c(c2)OCCN3C)[C@H]1C ZINC001141142828 804596478 /nfs/dbraw/zinc/59/64/78/804596478.db2.gz BYUPMMYIJMEKPQ-KBPBESRZSA-N 1 0 274.408 3.136 20 10 CGCDRO C[C@@H]1CCC[N@H+](Cc2ccc3c(c2)OCCN3C)C[C@@H]1C ZINC001141140441 804596782 /nfs/dbraw/zinc/59/67/82/804596782.db2.gz MFVPKSMVVXWCCK-CABCVRRESA-N 1 0 288.435 3.383 20 10 CGCDRO CC(C)[C@@H]1CCC[N@@H+]1Cc1ccc2c(c1)OCCN2C ZINC001141145629 804598695 /nfs/dbraw/zinc/59/86/95/804598695.db2.gz XCWLOQFGOVAKMK-HNNXBMFYSA-N 1 0 274.408 3.136 20 10 CGCDRO Oc1ccc(O)c(C[N@@H+]2CCC[C@H]2c2ccccc2)c1 ZINC001141158590 804599424 /nfs/dbraw/zinc/59/94/24/804599424.db2.gz FWWSOMLOJFJRHS-INIZCTEOSA-N 1 0 269.344 3.435 20 10 CGCDRO Cc1ncccc1C[N@@H+](C)Cc1cc(F)c(F)cc1[O-] ZINC001142531315 804733280 /nfs/dbraw/zinc/73/32/80/804733280.db2.gz TVQFXUDRKWOLBH-UHFFFAOYSA-N 1 0 278.302 3.006 20 10 CGCDRO C[C@H]1C[N@H+](Cc2cccc(C(C)(C)C)c2O)CC[C@]1(C)O ZINC001143104521 804801746 /nfs/dbraw/zinc/80/17/46/804801746.db2.gz USLWGZIFHAAIFM-UGSOOPFHSA-N 1 0 291.435 3.283 20 10 CGCDRO CC[NH+](CC)CCN(C)Cc1cccc(C(C)(C)C)c1O ZINC001143104382 804801932 /nfs/dbraw/zinc/80/19/32/804801932.db2.gz SKUWYTCKOZGJFS-UHFFFAOYSA-N 1 0 292.467 3.463 20 10 CGCDRO CC(=O)C1CC[NH+](Cc2cccc(C(C)(C)C)c2O)CC1 ZINC001143110457 804803680 /nfs/dbraw/zinc/80/36/80/804803680.db2.gz HBFNHDHVPRLAAA-UHFFFAOYSA-N 1 0 289.419 3.491 20 10 CGCDRO CCN(Cc1ccccc1O)c1nccc(F)c1C ZINC001154888994 805504800 /nfs/dbraw/zinc/50/48/00/805504800.db2.gz NUIHZUHOPXXSJK-UHFFFAOYSA-N 1 0 260.312 3.261 20 10 CGCDRO CCCC1CCC([NH2+]C[C@@H](O)c2ccc(O)c(O)c2)CC1 ZINC001258527936 807484425 /nfs/dbraw/zinc/48/44/25/807484425.db2.gz ZESXTXYXOHMNKO-MKTAYPAQSA-N 1 0 293.407 3.080 20 10 CGCDRO CC1(C)CC[C@@H]([N@@H+]2CCCc3cc(O)c(O)cc3C2)C1 ZINC001258607876 807505080 /nfs/dbraw/zinc/50/50/80/807505080.db2.gz TWOWEEQCVRVGAX-CQSZACIVSA-N 1 0 275.392 3.425 20 10 CGCDRO C[C@@H]1CCC[C@H]([N@@H+]2CCCc3cc(O)c(O)cc3C2)C1 ZINC001258826614 807641121 /nfs/dbraw/zinc/64/11/21/807641121.db2.gz DVNLLJTXDNZQTJ-DOMZBBRYSA-N 1 0 275.392 3.425 20 10 CGCDRO Oc1ccc2c(c1)C1(CC1)C[N@@H+](Cc1cc(F)ccc1O)C2 ZINC001261213184 807715773 /nfs/dbraw/zinc/71/57/73/807715773.db2.gz ACUICEKVTVWRHP-UHFFFAOYSA-N 1 0 299.345 3.284 20 10 CGCDRO CCOc1ccc(N2CC[NH+]([C@@H]3CC[C@@H](C)C3)CC2)cc1 ZINC001170157620 807780212 /nfs/dbraw/zinc/78/02/12/807780212.db2.gz LCKKFZXFRQPFKF-NVXWUHKLSA-N 1 0 288.435 3.396 20 10 CGCDRO CC[C@H]1C[C@H]([N@H+](C)Cc2ccc(N(C)C)cc2)CCO1 ZINC001170237217 807799832 /nfs/dbraw/zinc/79/98/32/807799832.db2.gz HRVKBJVAYCSSIQ-SJORKVTESA-N 1 0 276.424 3.142 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(NCC(C)(C)[NH3+])cc1 ZINC001171196637 808006296 /nfs/dbraw/zinc/00/62/96/808006296.db2.gz ZVEIVCNIKKVRQG-UHFFFAOYSA-N 1 0 257.381 3.243 20 10 CGCDRO CCCOC1CCC([NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC001173092235 808504788 /nfs/dbraw/zinc/50/47/88/808504788.db2.gz KJAKDQWVBHBURX-UHFFFAOYSA-N 1 0 289.419 3.449 20 10 CGCDRO CN(c1ccc(N)cc1)c1ccccc1C[NH+](C)C ZINC001173930238 808769812 /nfs/dbraw/zinc/76/98/12/808769812.db2.gz ATLPFKLULNTAMW-UHFFFAOYSA-N 1 0 255.365 3.098 20 10 CGCDRO Cc1cc(C[NH2+][C@@H](CCO)C2CCCC2)ccc1N(C)C ZINC001176506067 809708686 /nfs/dbraw/zinc/70/86/86/809708686.db2.gz ZCIHTNKPNDQYBF-KRWDZBQOSA-N 1 0 290.451 3.092 20 10 CGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@H](C3CC3)C2)cc1 ZINC001180082803 809971780 /nfs/dbraw/zinc/97/17/80/809971780.db2.gz TVEXINRVLRZPLE-IDOMTICXSA-N 1 0 270.420 3.498 20 10 CGCDRO CC[C@@H]1C[C@H]1C[NH2+]Cc1cc(Cl)c(C)cc1O ZINC001181752701 810069260 /nfs/dbraw/zinc/06/92/60/810069260.db2.gz JKYOXPUEXATUOG-MNOVXSKESA-N 1 0 253.773 3.490 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cc(C(C)C)ccc1O)[C@@H](O)C(C)C ZINC001182387977 810108395 /nfs/dbraw/zinc/10/83/95/810108395.db2.gz QFWFUQGNIQGGLP-WBVHZDCISA-N 1 0 279.424 3.401 20 10 CGCDRO CC1(C)CO[C@H](C[NH2+]Cc2ccc3ccccc3c2O)C1 ZINC001183674266 810156236 /nfs/dbraw/zinc/15/62/36/810156236.db2.gz WACYMVJIZAROKD-HNNXBMFYSA-N 1 0 285.387 3.450 20 10 CGCDRO C=C/C=C/CC[N@@H+](C)CCN(C)c1ccc(OC)cc1 ZINC001195791081 811291330 /nfs/dbraw/zinc/29/13/30/811291330.db2.gz XCFFZPMVYTXLIW-VOTSOKGWSA-N 1 0 274.408 3.196 20 10 CGCDRO CCN(C)c1ccc(C[NH+]2CCC(F)CC2)cc1 ZINC001197335675 811416886 /nfs/dbraw/zinc/41/68/86/811416886.db2.gz PJJDDXWTEWYGFT-UHFFFAOYSA-N 1 0 250.361 3.077 20 10 CGCDRO CCOc1ccc(N(C)CCC[NH+]2CCCCC2)cc1 ZINC001197564044 811429880 /nfs/dbraw/zinc/42/98/80/811429880.db2.gz FVZNZJMFOJUCOU-UHFFFAOYSA-N 1 0 276.424 3.398 20 10 CGCDRO CC[N@H+](CCNCc1c(O)cc(C)cc1Cl)C(C)C ZINC001199991484 811623937 /nfs/dbraw/zinc/62/39/37/811623937.db2.gz YEOPNZIFAVPPEH-UHFFFAOYSA-N 1 0 284.831 3.174 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CC[C@H]1COCc1ccccc1 ZINC001203555695 812390331 /nfs/dbraw/zinc/39/03/31/812390331.db2.gz GGVVFPUKNVZSCJ-KRWDZBQOSA-N 1 0 283.371 3.183 20 10 CGCDRO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+]1Cc1ccccc1O ZINC001203558611 812392679 /nfs/dbraw/zinc/39/26/79/812392679.db2.gz PPLIIFYKTNULDS-AWEZNQCLSA-N 1 0 291.391 3.088 20 10 CGCDRO COc1cccc(C[N@H+](C)CCC(=O)c2ccccc2)c1O ZINC001203595770 812404246 /nfs/dbraw/zinc/40/42/46/812404246.db2.gz KTXMQPUMERKKOU-UHFFFAOYSA-N 1 0 299.370 3.106 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CCC[C@H]2C(C)(C)OC)c1O ZINC001203609040 812405306 /nfs/dbraw/zinc/40/53/06/812405306.db2.gz GXWYSHYHNBLTTG-HNNXBMFYSA-N 1 0 293.407 3.180 20 10 CGCDRO COc1ccc(C[N@@H+]2CC[C@H]3CCC[C@H]3C2)c(O)c1 ZINC001203621377 812409571 /nfs/dbraw/zinc/40/95/71/812409571.db2.gz BZSJGOAIUSFPEX-OLZOCXBDSA-N 1 0 261.365 3.023 20 10 CGCDRO COc1cccc(C[N@H+](C)Cc2ccc(OC)cc2O)c1 ZINC001203630393 812412307 /nfs/dbraw/zinc/41/23/07/812412307.db2.gz RZHDXSPSOCXUJZ-UHFFFAOYSA-N 1 0 287.359 3.041 20 10 CGCDRO Oc1ccc(Br)cc1C[N@@H+]1CCCC12CC2 ZINC001203636522 812412614 /nfs/dbraw/zinc/41/26/14/812412614.db2.gz VZSRNQMACDKBDC-UHFFFAOYSA-N 1 0 282.181 3.283 20 10 CGCDRO OCC[C@H]1CC12CC[NH+](Cc1cc(Cl)ccc1O)CC2 ZINC001203651414 812416225 /nfs/dbraw/zinc/41/62/25/812416225.db2.gz NTSDKKNBIMCOEJ-ZDUSSCGKSA-N 1 0 295.810 3.030 20 10 CGCDRO COc1ccc(O)c(C[NH+]2CCC3(CC(F)C3)CC2)c1 ZINC001203670054 812425968 /nfs/dbraw/zinc/42/59/68/812425968.db2.gz LDIFWRIUDMDKCD-UHFFFAOYSA-N 1 0 279.355 3.115 20 10 CGCDRO Oc1ccc(C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)cc1O ZINC001203878784 812478568 /nfs/dbraw/zinc/47/85/68/812478568.db2.gz BRZVZPDLVPZXIO-ZIAGYGMSSA-N 1 0 261.365 3.110 20 10 CGCDRO Cc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(O)c(O)c2)cn1 ZINC001203878571 812478617 /nfs/dbraw/zinc/47/86/17/812478617.db2.gz CUVNVCFOZBVQPO-OAHLLOKOSA-N 1 0 284.359 3.138 20 10 CGCDRO Oc1cccc(C2CC[NH+](Cc3ccc(O)c(O)c3)CC2)c1 ZINC001203880958 812480172 /nfs/dbraw/zinc/48/01/72/812480172.db2.gz KMCYRTAKOAMCBO-UHFFFAOYSA-N 1 0 299.370 3.183 20 10 CGCDRO CN(C)c1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)cc1 ZINC001203931034 812495024 /nfs/dbraw/zinc/49/50/24/812495024.db2.gz LVDYEOAYQXDHFK-OKILXGFUSA-N 1 0 280.362 3.230 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](Oc3ccccc3)C2)cc1 ZINC001203934355 812496189 /nfs/dbraw/zinc/49/61/89/812496189.db2.gz RSMCYBOPFNCMGY-IBGZPJMESA-N 1 0 296.414 3.406 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@](C)(O)[C@@H](C)C2)cc1 ZINC001203939978 812497620 /nfs/dbraw/zinc/49/76/20/812497620.db2.gz HCPROBSAODOHIN-YJBOKZPZSA-N 1 0 290.451 3.126 20 10 CGCDRO CN(C)c1ccc(C[NH+]2CC(c3ccccc3)C2)cc1 ZINC001203937630 812497700 /nfs/dbraw/zinc/49/77/00/812497700.db2.gz HWYJGHOROCWCJU-UHFFFAOYSA-N 1 0 266.388 3.352 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](COCC3CC3)C2)cc1 ZINC001203937653 812498140 /nfs/dbraw/zinc/49/81/40/812498140.db2.gz JFAGRKOVTUMZLZ-KRWDZBQOSA-N 1 0 288.435 3.001 20 10 CGCDRO CC[N@H+](Cc1ccc(OC(C)=O)cc1)Cc1ccccc1O ZINC001203951997 812500591 /nfs/dbraw/zinc/50/05/91/812500591.db2.gz RHQINZOEPFDLJJ-UHFFFAOYSA-N 1 0 299.370 3.340 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)c2ccccc21 ZINC001204236418 812581402 /nfs/dbraw/zinc/58/14/02/812581402.db2.gz VORRFMXEGODFKQ-GASCZTMLSA-N 1 0 266.388 3.358 20 10 CGCDRO C[C@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)CCC1=O ZINC001204323401 812613413 /nfs/dbraw/zinc/61/34/13/812613413.db2.gz HRSARUUAQTVKMI-HNNXBMFYSA-N 1 0 286.419 3.088 20 10 CGCDRO CO[C@@]1(C)C[C@H]([N@H+](C)Cc2ccc(C)cc2O)C1(C)C ZINC001204359003 812621053 /nfs/dbraw/zinc/62/10/53/812621053.db2.gz NYRWXWMLCCOHTH-RDJZCZTQSA-N 1 0 277.408 3.336 20 10 CGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC001204594036 812684173 /nfs/dbraw/zinc/68/41/73/812684173.db2.gz WIAOQDQIRDTBBJ-HZPDHXFCSA-N 1 0 289.419 3.374 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CCCC[C@@H](C)C2)c1O ZINC001205437760 812982410 /nfs/dbraw/zinc/98/24/10/812982410.db2.gz JUPPBPMUBFWWBW-GFCCVEGCSA-N 1 0 263.381 3.331 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(CN2CCCC[C@@H]([NH3+])C2)cc1 ZINC001205931305 813139356 /nfs/dbraw/zinc/13/93/56/813139356.db2.gz IOUQBQUAUTYIOU-GOSISDBHSA-N 1 0 297.446 3.407 20 10 CGCDRO Cc1cc(CN2CC[NH2+]C[C@@H](C)C2)c(C)n1-c1ccccc1 ZINC001206269894 813266124 /nfs/dbraw/zinc/26/61/24/813266124.db2.gz XGNVFZNBLRMLCE-OAHLLOKOSA-N 1 0 297.446 3.135 20 10 CGCDRO COc1ccc(N(C)CC[N@H+](C)Cc2ccoc2C)cc1 ZINC001206544327 813346013 /nfs/dbraw/zinc/34/60/13/813346013.db2.gz JQQDYDWAPQTUQU-UHFFFAOYSA-N 1 0 288.391 3.165 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@@H]2OCc3ccccc32)c1O ZINC001207806497 813655498 /nfs/dbraw/zinc/65/54/98/813655498.db2.gz VOPUTAXMNDMQPV-KRWDZBQOSA-N 1 0 283.371 3.316 20 10 CGCDRO Oc1cc2c(cc1O)C[N@H+](CCc1cccs1)CCC2 ZINC001209226479 813974981 /nfs/dbraw/zinc/97/49/81/813974981.db2.gz VZKGITQZQZDKGS-UHFFFAOYSA-N 1 0 289.400 3.150 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2[C@@H](C)CC[C@H]2CO)cc1 ZINC001209517093 814070684 /nfs/dbraw/zinc/07/06/84/814070684.db2.gz XWKCNFVQOSLLAP-LIRRHRJNSA-N 1 0 298.430 3.439 20 10 CGCDRO c1ccc2c(c1)CC[C@H]2Oc1ccc(N2CC[NH2+]CC2)cc1 ZINC001217969271 816023027 /nfs/dbraw/zinc/02/30/27/816023027.db2.gz ULGNCWZLHSAXFX-LJQANCHMSA-N 1 0 294.398 3.163 20 10 CGCDRO COC(C)(C)[C@@H]1CCC[N@@H+]1Cc1cccc(C)c1O ZINC001231593175 818131379 /nfs/dbraw/zinc/13/13/79/818131379.db2.gz QESUHHOXZUAEOP-AWEZNQCLSA-N 1 0 263.381 3.090 20 10 CGCDRO O=C1CCC[C@@H]2C[N@@H+](Cc3c(O)ccc4ccccc43)C[C@@H]12 ZINC001231590627 818131844 /nfs/dbraw/zinc/13/18/44/818131844.db2.gz CITMIYAYXJSUMV-GDBMZVCRSA-N 1 0 295.382 3.346 20 10 CGCDRO Cc1cccc(C[N@@H+]2CC[C@H](C(=O)c3ccccc3)C2)c1O ZINC001231594662 818133376 /nfs/dbraw/zinc/13/33/76/818133376.db2.gz MQXROEOGWWEVGD-KRWDZBQOSA-N 1 0 295.382 3.405 20 10 CGCDRO CCCC[N@H+](CCC)Cc1cc(OC)c(O)cc1O ZINC001231637016 818144275 /nfs/dbraw/zinc/14/42/75/818144275.db2.gz YAFZUSSZCBKPHV-UHFFFAOYSA-N 1 0 267.369 3.119 20 10 CGCDRO COc1cc(C[N@H+](C)[C@@H]2CCc3ccccc32)c(O)cc1O ZINC001231640736 818144612 /nfs/dbraw/zinc/14/46/12/818144612.db2.gz UKPZBQOCIWLENT-OAHLLOKOSA-N 1 0 299.370 3.226 20 10 CGCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@](C)(F)CC1 ZINC001231849239 818188920 /nfs/dbraw/zinc/18/89/20/818188920.db2.gz PQHJASUZXCCUNN-KRWDZBQOSA-N 1 0 294.414 3.475 20 10 CGCDRO Cc1cc(O)c(CN2CC[C@H]([N@H+](C)C3CC3)C2)cc1Cl ZINC001231870244 818194049 /nfs/dbraw/zinc/19/40/49/818194049.db2.gz PNFYAYPSKONDMU-AWEZNQCLSA-N 1 0 294.826 3.023 20 10 CGCDRO Oc1c(CN2CC([NH+]3CCCCC3)C2)ccc2ccccc21 ZINC001231880606 818198749 /nfs/dbraw/zinc/19/87/49/818198749.db2.gz KHPGOLDSRDCWST-UHFFFAOYSA-N 1 0 296.414 3.216 20 10 CGCDRO CC(C)[C@H]1COCC[N@@H+]1Cc1ccc2ccccc2c1O ZINC001231881354 818199794 /nfs/dbraw/zinc/19/97/94/818199794.db2.gz VVHDIVFZADQPQE-QGZVFWFLSA-N 1 0 285.387 3.402 20 10 CGCDRO CC(C)(C)[NH+]1CCN(Cc2ccc3ccccc3c2O)CC1 ZINC001231882682 818201177 /nfs/dbraw/zinc/20/11/77/818201177.db2.gz RGYMQOMBMINECZ-UHFFFAOYSA-N 1 0 298.430 3.462 20 10 CGCDRO CC[N@H+](C)C1CCN(Cc2ccc3ccccc3c2O)CC1 ZINC001231883321 818201605 /nfs/dbraw/zinc/20/16/05/818201605.db2.gz OEFBZBRXXFNLDC-UHFFFAOYSA-N 1 0 298.430 3.462 20 10 CGCDRO CO[C@@H](C)C1C[NH+](Cc2ccc3ccccc3c2O)C1 ZINC001231882350 818202045 /nfs/dbraw/zinc/20/20/45/818202045.db2.gz HKVQQSYWXQZCQW-LBPRGKRZSA-N 1 0 271.360 3.012 20 10 CGCDRO CC(C)N1CC[N@H+](Cc2ccc3ccccc3c2O)C[C@@H]1C ZINC001231884070 818202078 /nfs/dbraw/zinc/20/20/78/818202078.db2.gz VEJICQQTHQRUDV-HNNXBMFYSA-N 1 0 298.430 3.460 20 10 CGCDRO C[N@H+](Cc1cccc(C(F)(F)F)n1)Cc1ccccc1O ZINC001232073144 818247785 /nfs/dbraw/zinc/24/77/85/818247785.db2.gz BVTWRTPVWVCZHC-UHFFFAOYSA-N 1 0 296.292 3.438 20 10 CGCDRO COc1cc(O)c(C[N@H+](C)C(C)C)cc1Br ZINC001233134902 818527871 /nfs/dbraw/zinc/52/78/71/818527871.db2.gz HHTHQWNUVXZTLJ-UHFFFAOYSA-N 1 0 288.185 3.004 20 10 CGCDRO CC(C)(C)c1ccc(O)c(C[N@H+]2[C@@H]3CC[C@H]2CC(=O)C3)c1 ZINC001233284014 818565722 /nfs/dbraw/zinc/56/57/22/818565722.db2.gz DTKMLZCTXOIASW-GASCZTMLSA-N 1 0 287.403 3.386 20 10 CGCDRO C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1cc(C(C)(C)C)ccc1O ZINC001233284465 818567073 /nfs/dbraw/zinc/56/70/73/818567073.db2.gz VPOPHONPEQBTFP-DOMZBBRYSA-N 1 0 277.408 3.035 20 10 CGCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)c1 ZINC001233287120 818567504 /nfs/dbraw/zinc/56/75/04/818567504.db2.gz XKRWCLUIXVQRBY-DYVFJYSZSA-N 1 0 289.419 3.301 20 10 CGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCCC(=O)CC3)c2c1 ZINC001234525381 818873204 /nfs/dbraw/zinc/87/32/04/818873204.db2.gz DXKNMBDNIFJKRM-UHFFFAOYSA-N 1 0 299.370 3.109 20 10 CGCDRO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1cccc(-c2ccccc2)c1O ZINC001234993752 818972111 /nfs/dbraw/zinc/97/21/11/818972111.db2.gz BDBQSDBGDCDXMG-YOEHRIQHSA-N 1 0 297.398 3.404 20 10 CGCDRO CC(C)(C)c1ccc(CN2CCC[C@]23CC[NH2+]C3)c(O)c1 ZINC001235108587 819003709 /nfs/dbraw/zinc/00/37/09/819003709.db2.gz BKSIXEHUACWWDE-GOSISDBHSA-N 1 0 288.435 3.018 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(CN2CCC[C@@H]3[NH2+]C[C@@H]32)cc1 ZINC001235304018 819065584 /nfs/dbraw/zinc/06/55/84/819065584.db2.gz ZPPBOYYKBLRIAA-OALUTQOASA-N 1 0 295.430 3.030 20 10 CGCDRO C[C@@H]1C[C@@H](O)CC[N@@H+]1Cc1ccc(C(C)(C)C)cc1O ZINC001235677136 819136906 /nfs/dbraw/zinc/13/69/06/819136906.db2.gz BRTRPYNPQWYBNE-DOMZBBRYSA-N 1 0 277.408 3.035 20 10 CGCDRO CCN1CC[N@H+](Cc2ccc(C(C)(C)C)cc2O)[C@H](C)C1 ZINC001235680164 819139519 /nfs/dbraw/zinc/13/95/19/819139519.db2.gz JHNZRUBNAWKIJG-CQSZACIVSA-N 1 0 290.451 3.216 20 10 CGCDRO CC(C)(C)c1ccc(C[NH+]2CC(C(F)F)C2)c(O)c1 ZINC001235682097 819139881 /nfs/dbraw/zinc/13/98/81/819139881.db2.gz UZWVHVBQXGEPLR-UHFFFAOYSA-N 1 0 269.335 3.387 20 10 CGCDRO CC(C)(C)c1ccc(C[N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)c(O)c1 ZINC001235680086 819139896 /nfs/dbraw/zinc/13/98/96/819139896.db2.gz RWPJUASCBKQKSL-QKDCVEJESA-N 1 0 277.383 3.337 20 10 CGCDRO Nc1ccc(C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)cc1 ZINC001235949534 819239933 /nfs/dbraw/zinc/23/99/33/819239933.db2.gz NZZUDGSZTLLOGP-HNNXBMFYSA-N 1 0 270.351 3.397 20 10 CGCDRO Nc1ccc2c(c1)CC[N@@H+](Cc1ccc(Cl)cc1O)C2 ZINC001236104882 819321429 /nfs/dbraw/zinc/32/14/29/819321429.db2.gz GLPDFHIISOOYPT-UHFFFAOYSA-N 1 0 288.778 3.186 20 10 CGCDRO CN(Cc1ccc(N(C)C)c2ccccc12)C[C@@H]1CCC[NH2+]1 ZINC001236118610 819327963 /nfs/dbraw/zinc/32/79/63/819327963.db2.gz XGPSOGWWVHXXMK-INIZCTEOSA-N 1 0 297.446 3.090 20 10 CGCDRO CCC[C@H]1CN(Cc2cccc(C(C)(C)C)c2O)CC[NH2+]1 ZINC001236179228 819358338 /nfs/dbraw/zinc/35/83/38/819358338.db2.gz VAFBYRMNKTWDGI-HNNXBMFYSA-N 1 0 290.451 3.264 20 10 CGCDRO Oc1ccc2ccccc2c1CN1CCC[C@H]([NH2+]C2CC2)C1 ZINC001236218208 819384626 /nfs/dbraw/zinc/38/46/26/819384626.db2.gz LGKUIGBPOUXWCJ-INIZCTEOSA-N 1 0 296.414 3.262 20 10 CGCDRO Cc1cc(Cl)cc(CN2CCC[C@H]([NH2+]C3CC3)C2)c1O ZINC001236222031 819388159 /nfs/dbraw/zinc/38/81/59/819388159.db2.gz IGZOVOLALPHHHZ-HNNXBMFYSA-N 1 0 294.826 3.070 20 10 CGCDRO Oc1c(CN(C2CC2)[C@@H]2CCC[NH2+]C2)ccc2ccccc21 ZINC001236240928 819400099 /nfs/dbraw/zinc/40/00/99/819400099.db2.gz NMQQKMSXUAPVOO-QGZVFWFLSA-N 1 0 296.414 3.262 20 10 CGCDRO CC[N@H+](Cc1oc(C)nc1C)Cc1ccccc1O ZINC001236594496 819547290 /nfs/dbraw/zinc/54/72/90/819547290.db2.gz LVRNWWKOFKUIIC-UHFFFAOYSA-N 1 0 260.337 3.019 20 10 CGCDRO Cc1ccc(O)c(CN([C@@H]2CC[NH2+]C2)C2CCCCC2)c1 ZINC001236651260 819561862 /nfs/dbraw/zinc/56/18/62/819561862.db2.gz HBVKSBKKHFEKBW-QGZVFWFLSA-N 1 0 288.435 3.197 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](C)[C@H](C)C2)cc1OC ZINC001236749055 819589913 /nfs/dbraw/zinc/58/99/13/819589913.db2.gz FLCBEUFHTATAHZ-QWHCGFSZSA-N 1 0 293.407 3.277 20 10 CGCDRO CCc1ccc(C[N@H+](C)CCc2ccccn2)c(O)c1 ZINC001236783651 819593283 /nfs/dbraw/zinc/59/32/83/819593283.db2.gz NROGYWZARRYWTA-UHFFFAOYSA-N 1 0 270.376 3.024 20 10 CGCDRO CCc1ccc(C[N@@H+]2CCCC[C@H](F)C2)c(O)c1 ZINC001236783540 819594113 /nfs/dbraw/zinc/59/41/13/819594113.db2.gz LYCQBKAKNQXASI-AWEZNQCLSA-N 1 0 251.345 3.279 20 10 CGCDRO CCc1ccc(C[N@@H+]2CC[C@](C)(F)[C@@H](F)C2)c(O)c1 ZINC001236783897 819594163 /nfs/dbraw/zinc/59/41/63/819594163.db2.gz PNWLEEMILXTQLF-GJZGRUSLSA-N 1 0 269.335 3.227 20 10 CGCDRO CCc1ccc(C[N@@H+]2CCC[C@@H](C(F)F)C2)c(O)c1 ZINC001236793820 819596711 /nfs/dbraw/zinc/59/67/11/819596711.db2.gz FNZRBSTZDDMYOW-CYBMUJFWSA-N 1 0 269.335 3.432 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CCOc3ccccc3C2)c(O)c1 ZINC001236812213 819604724 /nfs/dbraw/zinc/60/47/24/819604724.db2.gz AKVYFYCNJGCNFM-UHFFFAOYSA-N 1 0 299.370 3.104 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2cc3ccccc3cc2O)C[C@@]1(C)O ZINC001236826188 819607957 /nfs/dbraw/zinc/60/79/57/819607957.db2.gz HXOCYZBFNKYFBV-FZKQIMNGSA-N 1 0 285.387 3.138 20 10 CGCDRO C[C@H]1C[N@H+](Cc2cc3ccccc3cc2O)CC[C@]1(C)O ZINC001236825699 819608203 /nfs/dbraw/zinc/60/82/03/819608203.db2.gz CMJHYLNPASBJNK-UGSOOPFHSA-N 1 0 285.387 3.138 20 10 CGCDRO C[C@@H]1C[C@@H](F)C[N@@H+]1Cc1cc2ccccc2cc1O ZINC001236827916 819610168 /nfs/dbraw/zinc/61/01/68/819610168.db2.gz WOGUUHSPLAUGQU-IAQYHMDHSA-N 1 0 259.324 3.478 20 10 CGCDRO CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1cc2ccccc2cc1O ZINC001236834433 819613178 /nfs/dbraw/zinc/61/31/78/819613178.db2.gz ZEVBBBDMVQQDJU-KRWDZBQOSA-N 1 0 285.387 3.281 20 10 CGCDRO CCC[N@@H+](Cc1c(O)ccc2ccccc21)C[C@@H]1CC[NH2+]C1 ZINC001236843007 819618292 /nfs/dbraw/zinc/61/82/92/819618292.db2.gz JPZDPABWESWHJF-OAHLLOKOSA-N 1 0 298.430 3.367 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2CCC[C@](C)(O)[C@@H](C)C2)c(O)c1 ZINC001237047079 819650229 /nfs/dbraw/zinc/65/02/29/819650229.db2.gz ZTDCJHMIIFAWST-KSSFIOAISA-N 1 0 291.435 3.499 20 10 CGCDRO CCOc1ccc(CN2CC[C@](C)(F)[C@@H](F)C2)c(O)c1 ZINC001237049839 819652260 /nfs/dbraw/zinc/65/22/60/819652260.db2.gz LWTOLOCQKLLNNO-GJZGRUSLSA-N 1 0 285.334 3.063 20 10 CGCDRO CC[N@H+](CCn1ccnc1)Cc1ccc(C(C)C)cc1O ZINC001237054823 819653937 /nfs/dbraw/zinc/65/39/37/819653937.db2.gz HNPWVOOUMGFQAO-UHFFFAOYSA-N 1 0 287.407 3.234 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)c(O)c1 ZINC001237056265 819654204 /nfs/dbraw/zinc/65/42/04/819654204.db2.gz VXGVGABQGOGUHK-QWHCGFSZSA-N 1 0 263.381 3.125 20 10 CGCDRO Oc1ccc(F)c(Cl)c1C[N@@H+]1C[C@H]2CC[C@@H]1C2 ZINC001237126405 819672737 /nfs/dbraw/zinc/67/27/37/819672737.db2.gz KIILGKULCZQLMB-DTWKUNHWSA-N 1 0 255.720 3.169 20 10 CGCDRO Cc1c(CN2CC[C@H]3[NH2+]CCC[C@H]3C2)c2ccccc2n1C ZINC001237392627 819742718 /nfs/dbraw/zinc/74/27/18/819742718.db2.gz PDKMCJPCPZPZJQ-MAUKXSAKSA-N 1 0 297.446 3.061 20 10 CGCDRO Cc1cccc(O)c1C[N@H+]1CC[C@H](Oc2ncccc2C)C1 ZINC001237494689 819764658 /nfs/dbraw/zinc/76/46/58/819764658.db2.gz KLQNVSLOCVSRLS-HNNXBMFYSA-N 1 0 298.386 3.057 20 10 CGCDRO COc1cc(C[N@H+](C)CC2CCCC2)c(O)c(OC)c1 ZINC001237673011 819803144 /nfs/dbraw/zinc/80/31/44/819803144.db2.gz BZWSPNXVVUDFGO-UHFFFAOYSA-N 1 0 279.380 3.031 20 10 CGCDRO Cc1cc(F)cc(C[N@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)c1O ZINC001238065706 819921685 /nfs/dbraw/zinc/92/16/85/819921685.db2.gz ZETHLGHZHDZTFB-TXEJJXNPSA-N 1 0 285.309 3.317 20 10 CGCDRO CN(C(=O)C1=CCC[NH2+]CC1)c1cccc2ccccc21 ZINC001341386436 936436817 /nfs/dbraw/zinc/43/68/17/936436817.db2.gz FRPUMJBCIIMPLF-UHFFFAOYSA-N 1 0 280.371 3.112 20 10 CGCDRO COc1ccncc1C[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2C ZINC001347669197 936891901 /nfs/dbraw/zinc/89/19/01/936891901.db2.gz UHWRDCZYUSQICI-GXTWGEPZSA-N 1 0 298.386 3.442 20 10 CGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]Cc1cc(N)ccn1 ZINC001350955167 937004126 /nfs/dbraw/zinc/00/41/26/937004126.db2.gz GXVREAVQCYMDSF-FZMZJTMJSA-N 1 0 283.375 3.016 20 10 CGCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)c1O ZINC001140178222 926714483 /nfs/dbraw/zinc/71/44/83/926714483.db2.gz CZPFQPNUCHGXGX-GOEBONIOSA-N 1 0 275.392 3.010 20 10 CGCDRO CC1(C)C[C@@H]([NH2+]Cc2cc(Cl)ccc2O)CCO1 ZINC000160481575 927439585 /nfs/dbraw/zinc/43/95/85/927439585.db2.gz BQJVYGAJAAIVEV-LBPRGKRZSA-N 1 0 269.772 3.093 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2F)cc1C ZINC001203313955 931998718 /nfs/dbraw/zinc/99/87/18/931998718.db2.gz GEYFQDNZFVMMBS-UONOGXRCSA-N 1 0 251.345 3.374 20 10 CGCDRO CC[N@H+](Cc1cc[nH]c1)Cc1ccc(N(C)C)cc1 ZINC000179491295 932014734 /nfs/dbraw/zinc/01/47/34/932014734.db2.gz PEWLRHYSWOLQBY-UHFFFAOYSA-N 1 0 257.381 3.103 20 10 CGCDRO C[C@H]1[N@H+](C/C=C\c2ccc(N(C)C)cc2)CCOC1(C)C ZINC001461961440 937609448 /nfs/dbraw/zinc/60/94/48/937609448.db2.gz RGZCJLUFPGIJOQ-IDTUSYRASA-N 1 0 288.435 3.265 20 10 CGCDRO Cc1cc(C[NH2+]C2([C@@H]3CCCO3)CCC2)ccc1N(C)C ZINC001308161480 933062254 /nfs/dbraw/zinc/06/22/54/933062254.db2.gz QLAPSJWNWZBNCV-KRWDZBQOSA-N 1 0 288.435 3.252 20 10 CGCDRO CCCOc1ccc(C[NH2+]CC[C@H](O)C(C)C)cc1C ZINC001308276091 933085785 /nfs/dbraw/zinc/08/57/85/933085785.db2.gz YDBKMDJIFQISNU-INIZCTEOSA-N 1 0 279.424 3.280 20 10 CGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H](CO)CC1CCC1 ZINC001308415143 933107543 /nfs/dbraw/zinc/10/75/43/933107543.db2.gz UPNQJQRFARHVPW-HNNXBMFYSA-N 1 0 286.419 3.127 20 10 CGCDRO CCCOc1ccc(C[NH2+]C[C@@H](CO)CC2CC2)cc1C ZINC001308464129 933114806 /nfs/dbraw/zinc/11/48/06/933114806.db2.gz KICPTEUPICQBIB-KRWDZBQOSA-N 1 0 291.435 3.282 20 10 CGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC001308489199 933118636 /nfs/dbraw/zinc/11/86/36/933118636.db2.gz OHESLLSRJLGSLV-CQEJWKIFSA-N 1 0 286.419 3.388 20 10 CGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC001308489200 933118679 /nfs/dbraw/zinc/11/86/79/933118679.db2.gz OHESLLSRJLGSLV-IUWMUCMRSA-N 1 0 286.419 3.388 20 10 CGCDRO C[C@@H]([NH2+]Cc1cccc2[nH]c(=O)oc21)c1ccccc1O ZINC001308506423 933122045 /nfs/dbraw/zinc/12/20/45/933122045.db2.gz QNZIRKHTWJRNAL-SNVBAGLBSA-N 1 0 284.315 3.090 20 10 CGCDRO Cc1cc(O)c(CN2CC[NH+](CC(C)C)CC2)c(Cl)c1 ZINC001308649700 933149640 /nfs/dbraw/zinc/14/96/40/933149640.db2.gz HVDIYCSHMBKKST-UHFFFAOYSA-N 1 0 296.842 3.128 20 10 CGCDRO CO[C@@H](C)C[NH2+]CCc1cc(C)n(-c2ccccc2)c1C ZINC001308889159 933197340 /nfs/dbraw/zinc/19/73/40/933197340.db2.gz DNFYAJNRXVPDQJ-HNNXBMFYSA-N 1 0 286.419 3.261 20 10 CGCDRO C[C@@H]([NH2+]Cc1cnc2ccccc2n1)c1ccccc1O ZINC001308901563 933199309 /nfs/dbraw/zinc/19/93/09/933199309.db2.gz ITVOWVAQAWWLNJ-GFCCVEGCSA-N 1 0 279.343 3.186 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001319681864 933913525 /nfs/dbraw/zinc/91/35/25/933913525.db2.gz LBFFJWUMDQQEDM-KGLIPLIRSA-N 1 0 275.392 3.413 20 10 CGCDRO CC[N@@H+](Cc1ccc(N2CCCC2)cc1)C[C@H]1CCCO1 ZINC001319706152 933920045 /nfs/dbraw/zinc/92/00/45/933920045.db2.gz WLEWVJIVOPEAOI-GOSISDBHSA-N 1 0 288.435 3.288 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CCN1CC[C@H](C)C1 ZINC001320248549 934018683 /nfs/dbraw/zinc/01/86/83/934018683.db2.gz WIZJIFJNYIUCQM-NWANDNLSSA-N 1 0 288.435 3.180 20 10 CGCDRO CC[C@H](C)[C@H](O)C[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2C ZINC001320411690 934045146 /nfs/dbraw/zinc/04/51/46/934045146.db2.gz RBAHGIWEZUZKNP-GZCFXPHUSA-N 1 0 277.408 3.246 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CCOc1cccnc1 ZINC001320411295 934045332 /nfs/dbraw/zinc/04/53/32/934045332.db2.gz LNQXMACHKMRVQW-HIFRSBDPSA-N 1 0 298.386 3.313 20 10 CGCDRO COc1cccnc1C[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC001324551329 934523973 /nfs/dbraw/zinc/52/39/73/934523973.db2.gz PBRWPTLFKNKRAT-CHWSQXEVSA-N 1 0 298.386 3.442 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@H]2C=CCCC2)cc1 ZINC001324610409 934532662 /nfs/dbraw/zinc/53/26/62/934532662.db2.gz OCOUJXZQUYYGDP-WLMCBFPDSA-N 1 0 256.393 3.464 20 10 CGCDRO CC[C@@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)CCCO1 ZINC001325127939 934889293 /nfs/dbraw/zinc/88/92/93/934889293.db2.gz HBLFVRHUTGLRMA-GOSISDBHSA-N 1 0 288.435 3.288 20 10 CGCDRO Nc1ccc(CC[NH2+]Cc2ccc(N3CCCC3)cc2)cc1 ZINC001325609898 934920038 /nfs/dbraw/zinc/92/00/38/934920038.db2.gz BKAJBGLIKWAGJX-UHFFFAOYSA-N 1 0 295.430 3.201 20 10 CGCDRO CC[C@@H]([NH2+]CC[C@@H](C)[NH2+]C)c1cccc(Cl)c1[O-] ZINC001325755801 934927726 /nfs/dbraw/zinc/92/77/26/934927726.db2.gz HXIDPGOBWBBGKL-ZWNOBZJWSA-N 1 0 270.804 3.084 20 10 CGCDRO Cc1cnc(CC[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3C)cn1 ZINC001326622246 934995355 /nfs/dbraw/zinc/99/53/55/934995355.db2.gz GUBUYFDMUBWQEB-IUODEOHRSA-N 1 0 297.402 3.180 20 10 CGCDRO CCc1cccc(C[NH2+][C@H]2CCC[C@@H](F)C2)c1O ZINC001327196277 935043559 /nfs/dbraw/zinc/04/35/59/935043559.db2.gz ZKKWXCIEZJEGSV-KGLIPLIRSA-N 1 0 251.345 3.325 20 10 CGCDRO CN(C)c1cc(F)c(C[NH2+]C2(C)CCC2)cc1F ZINC001329156472 935191250 /nfs/dbraw/zinc/19/12/50/935191250.db2.gz OXTDAYXGBJFXII-UHFFFAOYSA-N 1 0 254.324 3.063 20 10 CGCDRO CC1(C)CO[C@H](C[NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC001329797733 935246742 /nfs/dbraw/zinc/24/67/42/935246742.db2.gz DDPBJJHHLIIROS-KRWDZBQOSA-N 1 0 288.435 3.192 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC001330716988 935316071 /nfs/dbraw/zinc/31/60/71/935316071.db2.gz YUSLHMVYYQHWKT-PWSUYJOCSA-N 1 0 298.390 3.034 20 10 CGCDRO C[C@@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)c1ccc[nH]1 ZINC001331693775 935403473 /nfs/dbraw/zinc/40/34/73/935403473.db2.gz XACQTJZAQRVHJO-SNVBAGLBSA-N 1 0 279.334 3.210 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H](CN)CC(C)C ZINC001331837142 935412946 /nfs/dbraw/zinc/41/29/46/935412946.db2.gz ZPIKSSGMBCWJAN-RDBSUJKOSA-N 1 0 276.424 3.212 20 10 CGCDRO FC1(F)CC12CC([NH2+]Cc1ccc3c(c1)CCCO3)C2 ZINC001332313858 935458935 /nfs/dbraw/zinc/45/89/35/935458935.db2.gz BLBHJYCGSUYTQS-UHFFFAOYSA-N 1 0 279.330 3.289 20 10 CGCDRO COc1cc(C)cc(C[NH2+]CCCCCSC)c1O ZINC001332704177 935483606 /nfs/dbraw/zinc/48/36/06/935483606.db2.gz DFZBLIXFWWPKJT-UHFFFAOYSA-N 1 0 283.437 3.332 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CCc2ccc(F)cc2)cc1F ZINC001333650913 935556164 /nfs/dbraw/zinc/55/61/64/935556164.db2.gz OXHKBBNIKULDRA-UHFFFAOYSA-N 1 0 290.357 3.363 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)CCCC3)C[C@H](C)O1 ZINC001333721268 936059182 /nfs/dbraw/zinc/05/91/82/936059182.db2.gz GYTBZYBRUMDCGM-KGLIPLIRSA-N 1 0 289.419 3.270 20 10 CGCDRO Cc1csc(C(C)(C)[NH2+]Cc2ccc(N)cc2)n1 ZINC001334753323 936111704 /nfs/dbraw/zinc/11/17/04/936111704.db2.gz CHAWYWPCWYYSDG-UHFFFAOYSA-N 1 0 261.394 3.059 20 10 CGCDRO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1ccc(N)cc1 ZINC001336287093 936186362 /nfs/dbraw/zinc/18/63/62/936186362.db2.gz XJBAZYVKXREWML-ZYHUDNBSSA-N 1 0 272.314 3.432 20 10 CGCDRO CO[C@@H]1C[C@@H]([NH2+]C/C=C\c2ccc(N(C)C)cc2)C1(C)C ZINC001474034962 937837189 /nfs/dbraw/zinc/83/71/89/937837189.db2.gz DQYCVZLRZLCDNL-TZNMXKOXSA-N 1 0 288.435 3.169 20 10 CGCDRO COC[C@H](C[NH2+]Cc1c(O)cccc1Cl)C(C)C ZINC001474279044 937847813 /nfs/dbraw/zinc/84/78/13/937847813.db2.gz FZKPWMOKAYVBCP-NSHDSACASA-N 1 0 271.788 3.054 20 10 CGCDRO COC(=O)CC1([NH2+]Cc2ccc(C)cc2O)CCCCC1 ZINC001474396739 937856964 /nfs/dbraw/zinc/85/69/64/937856964.db2.gz JJEFPAWBOBUDHX-UHFFFAOYSA-N 1 0 291.391 3.056 20 10 CGCDRO Oc1cc(Cl)ccc1C[NH2+]C[C@@H]1CCCCN1C1CC1 ZINC001474495591 937863314 /nfs/dbraw/zinc/86/33/14/937863314.db2.gz IPVYSWSZGRKEAL-HNNXBMFYSA-N 1 0 294.826 3.152 20 10 CGCDRO CC[C@H](C)[NH+]1CCN(Cc2c(O)cc(C)cc2Cl)CC1 ZINC001474526270 937865012 /nfs/dbraw/zinc/86/50/12/937865012.db2.gz TVGBQRWIZZIGNN-ZDUSSCGKSA-N 1 0 296.842 3.270 20 10 CGCDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2O)CS1 ZINC001474581314 937868289 /nfs/dbraw/zinc/86/82/89/937868289.db2.gz QUSUWQCPEOEILI-KWQFWETISA-N 1 0 257.786 3.029 20 10 CGCDRO Cc1cc(O)c(C[NH2+]Cc2ccoc2)c(Cl)c1 ZINC001560285094 938251040 /nfs/dbraw/zinc/25/10/40/938251040.db2.gz CTSAWMOEIGCLBN-UHFFFAOYSA-N 1 0 251.713 3.237 20 10 CGCDRO COc1ccc(C[NH2+][C@@]2(C)CC2(C)C)cc1Cn1cccn1 ZINC001560540319 938262124 /nfs/dbraw/zinc/26/21/24/938262124.db2.gz KQPPIXCIYNNWSF-SFHVURJKSA-N 1 0 299.418 3.218 20 10 CGCDRO COc1ccc(C[NH2+]CCC2CCC2)cc1Cn1cccn1 ZINC001560576903 938263814 /nfs/dbraw/zinc/26/38/14/938263814.db2.gz TXHOKJIWZOKWGD-UHFFFAOYSA-N 1 0 299.418 3.220 20 10 CGCDRO CC[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2C)CCS1 ZINC001560685322 938270433 /nfs/dbraw/zinc/27/04/33/938270433.db2.gz PSHPRPMFVWJGPH-MRXNPFEDSA-N 1 0 278.465 3.388 20 10 CGCDRO CCOC[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001560692090 938270744 /nfs/dbraw/zinc/27/07/44/938270744.db2.gz FMUMPRAODFJBHC-LBPRGKRZSA-N 1 0 283.799 3.294 20 10 CGCDRO CC[N@H+](Cc1ccc(OC)o1)Cc1ccc(N(C)C)cc1 ZINC001560724397 938272693 /nfs/dbraw/zinc/27/26/93/938272693.db2.gz IJPLZVFIZRGOBE-UHFFFAOYSA-N 1 0 288.391 3.376 20 10 CGCDRO CCc1cccc(C[N@@H+]2CC[C@@H]3[C@H](C2)C3(F)F)c1O ZINC001560877659 938281355 /nfs/dbraw/zinc/28/13/55/938281355.db2.gz ZNHBHBVDBPAKDQ-OLZOCXBDSA-N 1 0 267.319 3.042 20 10 CGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H]3C[C@@H]4CCC[C@H]34)C2)cc1 ZINC001560928651 938284495 /nfs/dbraw/zinc/28/44/95/938284495.db2.gz YVDDXWYOYPPBLP-IHETXDGRSA-N 1 0 286.419 3.052 20 10 CGCDRO Oc1cc(Cl)ccc1C[NH2+][C@H]1CCOCC12CCCC2 ZINC001561050634 938291870 /nfs/dbraw/zinc/29/18/70/938291870.db2.gz CAOGZZYMWVNIKD-HNNXBMFYSA-N 1 0 295.810 3.485 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@@H]2CCO[C@H]2CC)cc1C ZINC001202778591 958805672 /nfs/dbraw/zinc/80/56/72/958805672.db2.gz JBMXUDWICUYRHW-CVEARBPZSA-N 1 0 277.408 3.441 20 10 CGCDRO COc1cccc(C[NH2+]C2(c3ccccc3)CC2)c1O ZINC000068980034 345369972 /nfs/dbraw/zinc/36/99/72/345369972.db2.gz LSENBZIHIHHLPN-UHFFFAOYSA-N 1 0 269.344 3.180 20 10 CGCDRO C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccc(F)c(F)c1[O-] ZINC000276859825 299278696 /nfs/dbraw/zinc/27/86/96/299278696.db2.gz CHSXUKZAUSMAFF-NSHDSACASA-N 1 0 298.377 3.053 20 10 CGCDRO CC1([NH2+]Cc2ccccc2O)Cc2ccccc2C1 ZINC000125400621 370937424 /nfs/dbraw/zinc/93/74/24/370937424.db2.gz UOJCLBKVVQNJCW-UHFFFAOYSA-N 1 0 253.345 3.039 20 10 CGCDRO CC[N@H+](CCCF)Cc1cc(Br)ccc1O ZINC000151179959 371579534 /nfs/dbraw/zinc/57/95/34/371579534.db2.gz UZDRVYDDHSHBOQ-UHFFFAOYSA-N 1 0 290.176 3.336 20 10 CGCDRO CC[C@H](O)CC[NH2+][C@@H](CC)c1cccc(Cl)c1[O-] ZINC000287273736 371633626 /nfs/dbraw/zinc/63/36/26/371633626.db2.gz BCOYFBVIWLCOKF-GWCFXTLKSA-N 1 0 271.788 3.247 20 10 CGCDRO OCC[C@@H]([NH2+]Cc1ccccc1O)c1ccc(Cl)cc1 ZINC000288533698 371739078 /nfs/dbraw/zinc/73/90/78/371739078.db2.gz VZQFRKQAIZRVFS-OAHLLOKOSA-N 1 0 291.778 3.259 20 10 CGCDRO C[C@H]1Oc2ccccc2[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000288609936 371740995 /nfs/dbraw/zinc/74/09/95/371740995.db2.gz QLXKXMWILAIRMT-XIKOKIGWSA-N 1 0 281.355 3.233 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCOCC2CC2)c(O)c1 ZINC000293673858 372446062 /nfs/dbraw/zinc/44/60/62/372446062.db2.gz JWBYRWVMPFVUSQ-ZDUSSCGKSA-N 1 0 263.381 3.086 20 10 CGCDRO Cc1nnc(CC[NH2+][C@@H](C)c2c(C)cc(C)cc2O)s1 ZINC000293966212 372539915 /nfs/dbraw/zinc/53/99/15/372539915.db2.gz AMFGNFLOZYHMLJ-NSHDSACASA-N 1 0 291.420 3.062 20 10 CGCDRO Oc1ccc(-c2ccccc2)cc1C[NH+]1CC2(C1)CCOC2 ZINC000293940987 372532041 /nfs/dbraw/zinc/53/20/41/372532041.db2.gz IBXBNMFXOIFAPO-UHFFFAOYSA-N 1 0 295.382 3.282 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)cc1C ZINC000294214132 372615944 /nfs/dbraw/zinc/61/59/44/372615944.db2.gz YKHPQESGYKTVMH-QZTJIDSGSA-N 1 0 287.403 3.152 20 10 CGCDRO C[C@@H](CO)[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000294957813 372681889 /nfs/dbraw/zinc/68/18/89/372681889.db2.gz YTWGQFOHZBHDCQ-YOEHRIQHSA-N 1 0 285.387 3.037 20 10 CGCDRO C[N@H+](Cc1ccccc1O)[C@@H](CO)c1ccc(Cl)cc1 ZINC000295075892 372689648 /nfs/dbraw/zinc/68/96/48/372689648.db2.gz PSAYSBTUXMIFRS-HNNXBMFYSA-N 1 0 291.778 3.211 20 10 CGCDRO CCC[N@H+](CCc1cccnc1)Cc1ccccc1O ZINC000172159450 372916522 /nfs/dbraw/zinc/91/65/22/372916522.db2.gz WFZZQNIYBRBPNS-UHFFFAOYSA-N 1 0 270.376 3.242 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1O ZINC000296063079 373010035 /nfs/dbraw/zinc/01/00/35/373010035.db2.gz PKKJYVRWIMTTPA-LBPRGKRZSA-N 1 0 286.331 3.460 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]CCc1cccs1)CC2 ZINC000296146986 373035969 /nfs/dbraw/zinc/03/59/69/373035969.db2.gz WMCNZARKNRLYQU-CYBMUJFWSA-N 1 0 259.374 3.273 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@](C)(F)C2)c1 ZINC000296077168 373014979 /nfs/dbraw/zinc/01/49/79/373014979.db2.gz QGDBQJMARHXZNI-OAHLLOKOSA-N 1 0 267.344 3.115 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@H](C)CC(C)(C)O)c(O)c1 ZINC000296284075 373079009 /nfs/dbraw/zinc/07/90/09/373079009.db2.gz FDLQIILSROKSMH-OLZOCXBDSA-N 1 0 265.397 3.209 20 10 CGCDRO COC[C@@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1ccccc1 ZINC000296685984 373219776 /nfs/dbraw/zinc/21/97/76/373219776.db2.gz GVHCSFQDWPGCAY-HZPDHXFCSA-N 1 0 283.371 3.357 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+][C@@H](C)CCCCO)c(O)c1 ZINC000296579538 373185229 /nfs/dbraw/zinc/18/52/29/373185229.db2.gz UGHWGKXZTIZOTD-UONOGXRCSA-N 1 0 265.397 3.211 20 10 CGCDRO COC[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1ccc(C)o1 ZINC000297516795 373273847 /nfs/dbraw/zinc/27/38/47/373273847.db2.gz CWORKZVUKVTSSJ-KGLIPLIRSA-N 1 0 287.359 3.258 20 10 CGCDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296807941 373248109 /nfs/dbraw/zinc/24/81/09/373248109.db2.gz LTKWDZYZTWQIHZ-CYBMUJFWSA-N 1 0 284.315 3.078 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]CCCc1nccs1)CC2 ZINC000296949870 373253069 /nfs/dbraw/zinc/25/30/69/373253069.db2.gz QRQYYRGAYIRQTF-LBPRGKRZSA-N 1 0 274.389 3.058 20 10 CGCDRO Cc1cc(CN(Cc2ccc(N(C)C)cc2)C2CC2)no1 ZINC000298702332 373386471 /nfs/dbraw/zinc/38/64/71/373386471.db2.gz HOOMYOGWFOUVFO-UHFFFAOYSA-N 1 0 285.391 3.214 20 10 CGCDRO C[C@@H](O)C[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000179585791 373891484 /nfs/dbraw/zinc/89/14/84/373891484.db2.gz UKWQOURGKGIHFE-HUUCEWRRSA-N 1 0 276.424 3.098 20 10 CGCDRO CC[N@H+](Cc1cnn(C)c1)Cc1cc(Cl)cc(C)c1O ZINC000179839356 373925710 /nfs/dbraw/zinc/92/57/10/373925710.db2.gz GJCQYWPBOZBEPH-UHFFFAOYSA-N 1 0 293.798 3.110 20 10 CGCDRO COc1ccc(C[N@H+](C)Cc2cc(F)ccc2O)cc1 ZINC000179881629 373934629 /nfs/dbraw/zinc/93/46/29/373934629.db2.gz QSMFMZBMNIFYJP-UHFFFAOYSA-N 1 0 275.323 3.172 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(Cl)cn2)c1 ZINC000181229481 374096846 /nfs/dbraw/zinc/09/68/46/374096846.db2.gz CQBBBXKYYBKILZ-JTQLQIEISA-N 1 0 292.766 3.300 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCc2scnc2C)c1 ZINC000182465692 374277733 /nfs/dbraw/zinc/27/77/33/374277733.db2.gz BWPRZFDDGFYWMB-JTQLQIEISA-N 1 0 292.404 3.059 20 10 CGCDRO C[C@H]([NH2+]CCN(C)Cc1ccccc1)c1ccccc1O ZINC000183440462 374414327 /nfs/dbraw/zinc/41/43/27/374414327.db2.gz IVJLALMXZARWIR-HNNXBMFYSA-N 1 0 284.403 3.175 20 10 CGCDRO C[C@@H]([NH2+]CCCOC1CCCC1)c1ccccc1O ZINC000183472130 374417688 /nfs/dbraw/zinc/41/76/88/374417688.db2.gz WONRHVKFOYGFPF-CYBMUJFWSA-N 1 0 263.381 3.392 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(F)c(F)c1[O-] ZINC000187747711 375085715 /nfs/dbraw/zinc/08/57/15/375085715.db2.gz JBDAKRCSUUYBTF-SRVKXCTJSA-N 1 0 298.377 3.194 20 10 CGCDRO CC(C)=CC[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000188442404 375214812 /nfs/dbraw/zinc/21/48/12/375214812.db2.gz MORDVFJPCKNKKO-CQSZACIVSA-N 1 0 292.398 3.279 20 10 CGCDRO Cc1cccc(C[N@H+]2CCSCC[C@H]2C)c1O ZINC000191809807 375664707 /nfs/dbraw/zinc/66/47/07/375664707.db2.gz XXLMJERBQHQAIK-GFCCVEGCSA-N 1 0 251.395 3.028 20 10 CGCDRO Cc1ccc(O)c(C[N@H+]2CCSCC[C@H]2C)c1 ZINC000191812778 375664770 /nfs/dbraw/zinc/66/47/70/375664770.db2.gz MHIJWAZOKLOHMK-GFCCVEGCSA-N 1 0 251.395 3.028 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)CCCO)c1ccc(N2CCCCC2)cc1 ZINC000269001978 378171176 /nfs/dbraw/zinc/17/11/76/378171176.db2.gz JUAIPMYIOGRDIF-JKSUJKDBSA-N 1 0 290.451 3.489 20 10 CGCDRO Cc1ccc([C@H](O)C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)o1 ZINC000269059197 378183129 /nfs/dbraw/zinc/18/31/29/378183129.db2.gz SWCWATFCIDKMGR-XJKSGUPXSA-N 1 0 288.391 3.038 20 10 CGCDRO C[N@H+](Cc1cc(-c2ccccc2)ccc1O)[C@@H]1CCOC1 ZINC000271158069 378464522 /nfs/dbraw/zinc/46/45/22/378464522.db2.gz ISBXVZRUENDPKT-QGZVFWFLSA-N 1 0 283.371 3.280 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)c1O ZINC000271799962 378504585 /nfs/dbraw/zinc/50/45/85/378504585.db2.gz IPFMWEJRZXNVOZ-HUUCEWRRSA-N 1 0 277.408 3.384 20 10 CGCDRO Oc1ccc(F)cc1C[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000272314145 378610868 /nfs/dbraw/zinc/61/08/68/378610868.db2.gz SHFREYKEGXSQSX-UHFFFAOYSA-N 1 0 275.245 3.226 20 10 CGCDRO C[C@H]1C[C@H](CC[NH2+]Cc2c(O)cccc2Cl)CCO1 ZINC000273051495 378735905 /nfs/dbraw/zinc/73/59/05/378735905.db2.gz KKDDEGLPBKDFCK-NWDGAFQWSA-N 1 0 283.799 3.340 20 10 CGCDRO COc1ccc(C[NH2+]CC[C@@H]2CCO[C@@H](C)C2)cc1C ZINC000273031188 378736119 /nfs/dbraw/zinc/73/61/19/378736119.db2.gz GGNKJVHQWVIGHS-LSDHHAIUSA-N 1 0 277.408 3.298 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](O)CCc1ccccc1)c1ccccc1O ZINC000273316338 378741978 /nfs/dbraw/zinc/74/19/78/378741978.db2.gz OJIHZUMYUMEPSY-WMZOPIPTSA-N 1 0 299.414 3.427 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H](CO)CC(C)C)c(O)c1C ZINC000273411972 378745349 /nfs/dbraw/zinc/74/53/49/378745349.db2.gz PXIQZJVTGALSPR-KBPBESRZSA-N 1 0 265.397 3.067 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)[C@@H]2CCCCO2)c1 ZINC000273460519 378748984 /nfs/dbraw/zinc/74/89/84/378748984.db2.gz IBQOZGUKZZQMLU-XEZPLFJOSA-N 1 0 263.381 3.309 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](CO)c2ccc(F)cc2)c(O)c1 ZINC000273517943 378749613 /nfs/dbraw/zinc/74/96/13/378749613.db2.gz SXEJMZVTDGYBAQ-WBMJQRKESA-N 1 0 289.350 3.224 20 10 CGCDRO C[C@@H]([NH2+]CC1([C@@H](C)CCO)CCC1)c1ccccc1O ZINC000272827729 378711700 /nfs/dbraw/zinc/71/17/00/378711700.db2.gz HBEXGYIGCASXLI-UONOGXRCSA-N 1 0 277.408 3.232 20 10 CGCDRO CC[C@@H](CCO)C[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000273595928 378755521 /nfs/dbraw/zinc/75/55/21/378755521.db2.gz QPFRPEWXJYUZRD-KBPBESRZSA-N 1 0 265.397 3.068 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)COCC(F)(F)F)c(O)c1 ZINC000273595067 378756166 /nfs/dbraw/zinc/75/61/66/378756166.db2.gz QFJYPDOOKMHMID-GHMZBOCLSA-N 1 0 291.313 3.319 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2c2cc[nH]n2)cc1 ZINC000375620620 379502565 /nfs/dbraw/zinc/50/25/65/379502565.db2.gz XTVPHIRWOSIHBI-QGZVFWFLSA-N 1 0 284.407 3.203 20 10 CGCDRO Cc1noc(C)c1C(C)(C)[NH2+]Cc1ccccc1O ZINC000285457763 380147463 /nfs/dbraw/zinc/14/74/63/380147463.db2.gz JMNJLDMSDHNWJX-UHFFFAOYSA-N 1 0 260.337 3.022 20 10 CGCDRO CCOCCCC[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000283919552 380105438 /nfs/dbraw/zinc/10/54/38/380105438.db2.gz DOYILOIIYKWDKI-CQSZACIVSA-N 1 0 265.397 3.476 20 10 CGCDRO CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](CC)c2ccc(F)cc2[O-])C1 ZINC000286319102 380194598 /nfs/dbraw/zinc/19/45/98/380194598.db2.gz XNGVNUHWYSTCAO-BBRMVZONSA-N 1 0 294.414 3.304 20 10 CGCDRO CC[C@@H](C)N(C)CC[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000185316327 262304415 /nfs/dbraw/zinc/30/44/15/262304415.db2.gz RHXUKDIWGLZKDC-KGLIPLIRSA-N 1 0 264.413 3.082 20 10 CGCDRO Oc1cccc2c1CC[C@@H]2[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297712820 285395127 /nfs/dbraw/zinc/39/51/27/285395127.db2.gz MVTGIDDHFGWCMP-GJZGRUSLSA-N 1 0 281.355 3.362 20 10 CGCDRO C[N@@H+](Cc1c(O)ccc2ccccc21)C[C@@H]1CCCOC1 ZINC000107669865 392327973 /nfs/dbraw/zinc/32/79/73/392327973.db2.gz AMNQEMUGTZHYDD-AWEZNQCLSA-N 1 0 285.387 3.404 20 10 CGCDRO COc1c(C)cnc(C[N@H+](C)Cc2ccccc2O)c1C ZINC000110031328 392375076 /nfs/dbraw/zinc/37/50/76/392375076.db2.gz RRINTCCPZGHNHC-UHFFFAOYSA-N 1 0 286.375 3.045 20 10 CGCDRO CC[C@@H]([NH2+]CCC[NH+](C)C)c1cccc(Cl)c1[O-] ZINC000286924465 392391064 /nfs/dbraw/zinc/39/10/64/392391064.db2.gz LAADMVHGPRZFRQ-CYBMUJFWSA-N 1 0 270.804 3.038 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)[C@@H]1CCOC1)c1ccc(N(C)C)cc1 ZINC000119668958 392396685 /nfs/dbraw/zinc/39/66/85/392396685.db2.gz JUVUEPPZXGBWJV-UNEWFSDZSA-N 1 0 276.424 3.218 20 10 CGCDRO Cc1cc(O)c(C[N@H+](C)CCC2CCOCC2)cc1C ZINC000121123038 392408520 /nfs/dbraw/zinc/40/85/20/392408520.db2.gz OSCDJXLQFHHEPL-UHFFFAOYSA-N 1 0 277.408 3.258 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](C3CCOCC3)C2)cc1C ZINC000372210366 392593241 /nfs/dbraw/zinc/59/32/41/392593241.db2.gz GKQKWUZPDLCPKR-INIZCTEOSA-N 1 0 289.419 3.258 20 10 CGCDRO OCCC[N@H+](Cc1ccccc1O)[C@H]1CCc2ccccc21 ZINC000179574991 392705016 /nfs/dbraw/zinc/70/50/16/392705016.db2.gz BMBDRSGCVXPZBB-SFHVURJKSA-N 1 0 297.398 3.264 20 10 CGCDRO CCCN(Cc1cccc2nccn21)c1ccc(C[NH3+])cc1 ZINC000194980387 392948947 /nfs/dbraw/zinc/94/89/47/392948947.db2.gz YEEJVDCGPWAXQF-UHFFFAOYSA-N 1 0 294.402 3.210 20 10 CGCDRO Cc1cccc(C[N@H+](CCCO)Cc2ccccc2)c1O ZINC000271693899 393254229 /nfs/dbraw/zinc/25/42/29/393254229.db2.gz ABQJSXHCCAAWHW-UHFFFAOYSA-N 1 0 285.387 3.085 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCN2CCCC[C@H]12)c1cc(Cl)ccc1O ZINC000273394042 393275548 /nfs/dbraw/zinc/27/55/48/393275548.db2.gz LOBQPZHYMOICDF-NILFDRSVSA-N 1 0 294.826 3.323 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H]1CCCCO1)c1ccc(C)cc1O ZINC000280262218 393340669 /nfs/dbraw/zinc/34/06/69/393340669.db2.gz XHSALRLAAFKGRB-UKRRQHHQSA-N 1 0 263.381 3.310 20 10 CGCDRO CC(C)CCC[C@@H](C)[NH2+]Cc1ccc(O)cc1O ZINC000020138683 171026187 /nfs/dbraw/zinc/02/61/87/171026187.db2.gz IITHNBYISRHCAX-GFCCVEGCSA-N 1 0 251.370 3.402 20 10 CGCDRO Cc1ncsc1C[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000071212690 176084267 /nfs/dbraw/zinc/08/42/67/176084267.db2.gz OYNMLIXAEAYQBK-JTQLQIEISA-N 1 0 262.378 3.316 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cccc(O)c1 ZINC000037363559 260094618 /nfs/dbraw/zinc/09/46/18/260094618.db2.gz HUGWKMWZAXUSHM-GFCCVEGCSA-N 1 0 269.344 3.178 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](CCO)CC(C)C)c1ccccc1O ZINC000156147935 261115149 /nfs/dbraw/zinc/11/51/49/261115149.db2.gz VFYAUPIXHGNRSN-HOCLYGCPSA-N 1 0 279.424 3.478 20 10 CGCDRO C[C@H]([NH2+]CCC[C@@H]1CCCCO1)c1ccccc1O ZINC000184001941 262004713 /nfs/dbraw/zinc/00/47/13/262004713.db2.gz ZCWUZKYTAAIISI-KBPBESRZSA-N 1 0 263.381 3.392 20 10 CGCDRO Cc1nccn1C[C@H](C)C[NH2+][C@H](C)c1cc(C)ccc1O ZINC000185346330 262051431 /nfs/dbraw/zinc/05/14/31/262051431.db2.gz CLSVSZDIUZRECC-ZIAGYGMSSA-N 1 0 287.407 3.192 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)c2ccccc2C)c1 ZINC000185435177 262054140 /nfs/dbraw/zinc/05/41/40/262054140.db2.gz LDORSXLQHWTZNO-RDTXWAMCSA-N 1 0 285.387 3.393 20 10 CGCDRO C[C@H]([NH2+]C[C@@](C)(O)c1cccs1)c1cc(F)ccc1O ZINC000185519663 262057919 /nfs/dbraw/zinc/05/79/19/262057919.db2.gz VLKFWXDTLZTNAX-ZUZCIYMTSA-N 1 0 295.379 3.151 20 10 CGCDRO CO[C@H](C[NH2+][C@H](C)c1ccc(C)cc1O)C(C)(C)C ZINC000185617823 262062793 /nfs/dbraw/zinc/06/27/93/262062793.db2.gz INCLHPYHNNGRGR-IUODEOHRSA-N 1 0 265.397 3.412 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@]2(C)CCCC[C@@H]2O)c1 ZINC000185644043 262063494 /nfs/dbraw/zinc/06/34/94/262063494.db2.gz YWJGGXOTRFUAGW-RRQGHBQHSA-N 1 0 277.408 3.292 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H]3OCC[C@@H]32)c(O)c1 ZINC000185773399 262069884 /nfs/dbraw/zinc/06/98/84/262069884.db2.gz MCIFFHNQRQJBDW-PWXKEOIMSA-N 1 0 275.392 3.309 20 10 CGCDRO Cc1cccc([C@H](O)C[NH2+][C@@H](C)c2cc(F)ccc2O)c1 ZINC000186125136 262081110 /nfs/dbraw/zinc/08/11/10/262081110.db2.gz PFWBBDCVSBGMOX-YVEFUNNKSA-N 1 0 289.350 3.224 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](CCO)C(C)(C)C)c1 ZINC000185197866 262302140 /nfs/dbraw/zinc/30/21/40/262302140.db2.gz PTFSWRLHFDFZIC-DOMZBBRYSA-N 1 0 265.397 3.148 20 10 CGCDRO COc1cccc(CC[NH2+][C@H](C)c2ccccc2O)c1 ZINC000059228869 262387692 /nfs/dbraw/zinc/38/76/92/262387692.db2.gz LIIOEAVOVVLUDD-CYBMUJFWSA-N 1 0 271.360 3.294 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)[C@@H](O)c1cccc(F)c1 ZINC000272903412 263009811 /nfs/dbraw/zinc/00/98/11/263009811.db2.gz VIWCYCFGXSMNCL-XWCIJXRUSA-N 1 0 289.350 3.304 20 10 CGCDRO COc1cc(O)c(C[NH+]2CCC3(CCC3)CC2)cc1OC ZINC000368511623 267178447 /nfs/dbraw/zinc/17/84/47/267178447.db2.gz LHXHUCAZPRRMNE-UHFFFAOYSA-N 1 0 291.391 3.176 20 10 CGCDRO COCC[C@@H]1CCCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000368672559 267196570 /nfs/dbraw/zinc/19/65/70/267196570.db2.gz GBHCMIWYMNKZCU-ZDUSSCGKSA-N 1 0 281.371 3.170 20 10 CGCDRO Cc1cc([C@@H]2CCC[N@@H+]2Cc2cc(C)ccc2O)no1 ZINC000371397238 267399176 /nfs/dbraw/zinc/39/91/76/267399176.db2.gz YSFVOFRUGRVTQJ-HNNXBMFYSA-N 1 0 272.348 3.334 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CCc2ccccc2OC1)c1ccccc1O ZINC000376758411 268014353 /nfs/dbraw/zinc/01/43/53/268014353.db2.gz OTVYYACWNOELLN-HIFRSBDPSA-N 1 0 283.371 3.437 20 10 CGCDRO CC(C)[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cccc(O)c32)CCO1 ZINC000296711255 275687239 /nfs/dbraw/zinc/68/72/39/275687239.db2.gz IFSVSSGXIRZAAL-LZWOXQAQSA-N 1 0 275.392 3.173 20 10 CGCDRO COCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000282275979 277241317 /nfs/dbraw/zinc/24/13/17/277241317.db2.gz RLUPMSGJIZSZCS-WBVHZDCISA-N 1 0 276.424 3.047 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1O)c1ccc(C)cc1O ZINC000280263989 288066344 /nfs/dbraw/zinc/06/63/44/288066344.db2.gz XKLRZDNWQZMNCL-ZNMIVQPWSA-N 1 0 263.381 3.045 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCCc2nn(C)cc21)c1ccc(N(C)C)cc1 ZINC000280286120 290015146 /nfs/dbraw/zinc/01/51/46/290015146.db2.gz YXZRBQKQVUEZQI-SUMWQHHRSA-N 1 0 298.434 3.214 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+][C@@H]1[C@H]3CCO[C@H]3C13CCCC3)CC2 ZINC000296672065 304845987 /nfs/dbraw/zinc/84/59/87/304845987.db2.gz FXRWBFRMBXHWIJ-DTTOXWODSA-N 1 0 299.414 3.317 20 10 CGCDRO CCCOc1ccc(C[NH2+]Cc2ccoc2)c(O)c1 ZINC000171128398 327751779 /nfs/dbraw/zinc/75/17/79/327751779.db2.gz GNJXBJOQCIKBFZ-UHFFFAOYSA-N 1 0 261.321 3.064 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CCCO[C@H](C(C)C)C2)c1O ZINC000293868090 327171792 /nfs/dbraw/zinc/17/17/92/327171792.db2.gz CJONZXLMTFPCLS-INIZCTEOSA-N 1 0 293.407 3.038 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CSCCS2)c1 ZINC000168817842 329059675 /nfs/dbraw/zinc/05/96/75/329059675.db2.gz ZPFWKYXLEXFHRO-NEPJUHHUSA-N 1 0 283.462 3.200 20 10 CGCDRO CS[C@H]1CCC[C@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000226608980 329262348 /nfs/dbraw/zinc/26/23/48/329262348.db2.gz MPFVKXQFCKPBMF-STQMWFEESA-N 1 0 269.385 3.295 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)c1 ZINC000186451815 329342708 /nfs/dbraw/zinc/34/27/08/329342708.db2.gz DMFMJDVTTFATPR-IBGZPJMESA-N 1 0 295.382 3.332 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C)c1ccccc1O ZINC000527999979 330300017 /nfs/dbraw/zinc/30/00/17/330300017.db2.gz DWMSCQPSAXSNCH-JMUUTAKRSA-N 1 0 263.381 3.245 20 10 CGCDRO C[C@H]([NH2+]Cc1ccccc1-n1cccn1)c1ccccc1O ZINC000194373941 330842313 /nfs/dbraw/zinc/84/23/13/330842313.db2.gz CTVAJRWZFUUHKN-AWEZNQCLSA-N 1 0 293.370 3.429 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)c2cn[nH]c2)cc1 ZINC000229884672 333310772 /nfs/dbraw/zinc/31/07/72/333310772.db2.gz QKPYFBPZEKJRAV-CYBMUJFWSA-N 1 0 272.396 3.107 20 10 CGCDRO C[C@H]([NH2+]C1CCC1)c1ccc(Br)cc1O ZINC000273450649 334766057 /nfs/dbraw/zinc/76/60/57/334766057.db2.gz FWZATQPCHPOEMK-QMMMGPOBSA-N 1 0 270.170 3.358 20 10 CGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000355112064 335766917 /nfs/dbraw/zinc/76/69/17/335766917.db2.gz DSPHXAOYYVPNAV-HUUCEWRRSA-N 1 0 286.419 3.391 20 10 CGCDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1ccc(C)cn1 ZINC000355121029 335767089 /nfs/dbraw/zinc/76/70/89/335767089.db2.gz KPFUJZQXRLJCPR-UHFFFAOYSA-N 1 0 279.387 3.480 20 10 CGCDRO CC[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000186939212 520176128 /nfs/dbraw/zinc/17/61/28/520176128.db2.gz CSIHZFXCHZDYQY-MRVPVSSYSA-N 1 0 258.159 3.134 20 10 CGCDRO CC(=O)c1cc(F)cc(C[N@@H+]2C[C@H]3CCCC[C@H]32)c1O ZINC000368241205 518288287 /nfs/dbraw/zinc/28/82/87/518288287.db2.gz KGWUGTCQUKXTCA-IAQYHMDHSA-N 1 0 277.339 3.108 20 10 CGCDRO CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccccc2O)CS1 ZINC000277293820 519805011 /nfs/dbraw/zinc/80/50/11/519805011.db2.gz RKGPWENPXMHZKX-OCCSQVGLSA-N 1 0 251.395 3.012 20 10 CGCDRO CCOCCC[NH2+][C@@H](CC)c1ccc(C)cc1O ZINC000280040361 519898457 /nfs/dbraw/zinc/89/84/57/519898457.db2.gz IUMXSUYTLAHDBO-AWEZNQCLSA-N 1 0 251.370 3.168 20 10 CGCDRO CC[N@H+](Cc1ccccc1O)[C@H](C)c1cccnc1 ZINC000290661606 521386109 /nfs/dbraw/zinc/38/61/09/521386109.db2.gz ZSHGEIMQAYZIEX-CYBMUJFWSA-N 1 0 256.349 3.370 20 10 CGCDRO CCOC(CC[NH2+][C@@H](C)c1cc(C)ccc1O)OCC ZINC000276566066 521629640 /nfs/dbraw/zinc/62/96/40/521629640.db2.gz SJSZOIWBKCQIHH-ZDUSSCGKSA-N 1 0 281.396 3.140 20 10 CGCDRO CCOC(CC[NH2+][C@H](CC)c1ccccc1O)OCC ZINC000276614405 521629950 /nfs/dbraw/zinc/62/99/50/521629950.db2.gz ZTTHWVXPSZXDFM-CQSZACIVSA-N 1 0 281.396 3.222 20 10 CGCDRO CCC(O)(CC)CC[NH2+][C@H](C)c1cc(F)ccc1O ZINC000276718593 521652611 /nfs/dbraw/zinc/65/26/11/521652611.db2.gz WJGZFGYXUQZVPX-LLVKDONJSA-N 1 0 269.360 3.123 20 10 CGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@H]1CCOC2(CCC2)C1 ZINC000094364481 521697385 /nfs/dbraw/zinc/69/73/85/521697385.db2.gz TVKVCZGIPBDNOL-KRWDZBQOSA-N 1 0 288.435 3.463 20 10 CGCDRO COC1(C[C@H](C)[NH2+]Cc2ccc(N(C)C)cc2)CCC1 ZINC000277368585 522641553 /nfs/dbraw/zinc/64/15/53/522641553.db2.gz XMTXUPRJDFGGRC-AWEZNQCLSA-N 1 0 276.424 3.190 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1ccccc1O ZINC000363699230 522752931 /nfs/dbraw/zinc/75/29/31/522752931.db2.gz VYOGBZRGTKTPMN-KBPBESRZSA-N 1 0 271.364 3.234 20 10 CGCDRO CC[C@H]([NH2+][C@H]1c2ccccc2C[C@H]1O)c1ccc(C)cc1O ZINC000280245655 522761759 /nfs/dbraw/zinc/76/17/59/522761759.db2.gz WICZUIPVHRLKCL-UHOSZYNNSA-N 1 0 297.398 3.400 20 10 CGCDRO CCc1noc(C)c1C[NH2+]Cc1cc(C)c(C)cc1O ZINC000292961615 522843025 /nfs/dbraw/zinc/84/30/25/522843025.db2.gz LLOOAHIZJQGMHN-UHFFFAOYSA-N 1 0 274.364 3.158 20 10 CGCDRO CC[C@@H]([NH2+]CCn1cnc2ccccc21)c1ccccc1O ZINC000274925788 522844451 /nfs/dbraw/zinc/84/44/51/522844451.db2.gz PWCHSWMXYLYBOI-OAHLLOKOSA-N 1 0 295.386 3.483 20 10 CGCDRO CC[C@@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1ccccc1O ZINC000363699232 522947806 /nfs/dbraw/zinc/94/78/06/522947806.db2.gz VYOGBZRGTKTPMN-KGLIPLIRSA-N 1 0 271.364 3.234 20 10 CGCDRO CN(Cc1c(O)cccc1Cl)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000289628817 523156167 /nfs/dbraw/zinc/15/61/67/523156167.db2.gz LVQVPRLYZSCYPV-FUNVUKJBSA-N 1 0 294.826 3.103 20 10 CGCDRO C[C@H](CCCO)[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000094941574 524150310 /nfs/dbraw/zinc/15/03/10/524150310.db2.gz SFURJVSPHVCUHR-CHWSQXEVSA-N 1 0 273.376 3.357 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCc3c2cnn3C)c1 ZINC000037087409 525364010 /nfs/dbraw/zinc/36/40/10/525364010.db2.gz LSLPSWBIAQWRQR-WFASDCNBSA-N 1 0 285.391 3.162 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1CCC(F)(F)C1)c1ccccc1O ZINC000280879284 525480110 /nfs/dbraw/zinc/48/01/10/525480110.db2.gz COCZHJFVSNASGH-GHMZBOCLSA-N 1 0 255.308 3.478 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])c(O)c1 ZINC000050015551 525733329 /nfs/dbraw/zinc/73/33/29/525733329.db2.gz GZKCORGUAJVWPM-GFCCVEGCSA-N 1 0 286.331 3.460 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H](CO)c2ccccc2)c(O)c1 ZINC000062999644 525943509 /nfs/dbraw/zinc/94/35/09/525943509.db2.gz PLLPJKWUUZMNCC-XJKSGUPXSA-N 1 0 271.360 3.085 20 10 CGCDRO COc1cccc(C[NH2+]Cc2cc(C)c(O)c(C)c2)c1O ZINC000263724818 526023436 /nfs/dbraw/zinc/02/34/36/526023436.db2.gz WWXKTKBYBTVFID-UHFFFAOYSA-N 1 0 287.359 3.013 20 10 CGCDRO COc1cccc(C[NH2+][C@@H](C)Cc2ccccc2C)c1O ZINC000037776986 526029662 /nfs/dbraw/zinc/02/96/62/526029662.db2.gz VEFGVFVBBWJLIO-AWEZNQCLSA-N 1 0 285.387 3.430 20 10 CGCDRO Oc1ccc(F)cc1C[N@@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000290953958 526346181 /nfs/dbraw/zinc/34/61/81/526346181.db2.gz QXDNEJTWJUDTCK-JKSUJKDBSA-N 1 0 291.366 3.065 20 10 CGCDRO CCOc1ccc(C[NH2+][C@H](C)Cc2ccco2)c(O)c1 ZINC000725843884 572436718 /nfs/dbraw/zinc/43/67/18/572436718.db2.gz GTQFBLKVDXRBOM-GFCCVEGCSA-N 1 0 275.348 3.105 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CCc2ccccc2)cc1F ZINC000733323315 572555288 /nfs/dbraw/zinc/55/52/88/572555288.db2.gz UCJSAYFOEHFFTC-UHFFFAOYSA-N 1 0 272.367 3.224 20 10 CGCDRO CCOC(=O)CC[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000733613893 572591395 /nfs/dbraw/zinc/59/13/95/572591395.db2.gz PIQCDTFTKBNKSE-UHFFFAOYSA-N 1 0 291.391 3.090 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1[nH]nc2ccccc21 ZINC000734512420 572662831 /nfs/dbraw/zinc/66/28/31/572662831.db2.gz SNUNFETUOJMPNU-UHFFFAOYSA-N 1 0 294.402 3.227 20 10 CGCDRO C[C@@H](c1ccccc1)[C@@H](CO)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000734845735 572686985 /nfs/dbraw/zinc/68/69/85/572686985.db2.gz DEDIBAATONMXEZ-HNAYVOBHSA-N 1 0 298.430 3.007 20 10 CGCDRO C[C@H](C[NH2+]Cc1cc(Cl)ccc1O)c1ccncc1 ZINC000749297261 572991831 /nfs/dbraw/zinc/99/18/31/572991831.db2.gz SXWTVGGIEWBDHS-LLVKDONJSA-N 1 0 276.767 3.334 20 10 CGCDRO C[C@H]1CC[C@@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)C1 ZINC000742369065 618097580 /nfs/dbraw/zinc/09/75/80/618097580.db2.gz VNDCTIJZGXLNHQ-WCQYABFASA-N 1 0 250.361 3.170 20 10 CGCDRO COCC[C@@H](C)C[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000840835796 618148915 /nfs/dbraw/zinc/14/89/15/618148915.db2.gz QTSXCQRKCZIZJI-BXUZGUMPSA-N 1 0 265.397 3.332 20 10 CGCDRO COc1ccc(C[N@H+](C)[C@H](C)C(C)(C)C)c(O)c1OC ZINC000891671510 618245281 /nfs/dbraw/zinc/24/52/81/618245281.db2.gz PEIPXVOAPPOMKN-LLVKDONJSA-N 1 0 281.396 3.276 20 10 CGCDRO CC[C@H]([NH2+]CCc1cscn1)c1ccc(N(C)C)cc1 ZINC000178471272 618463150 /nfs/dbraw/zinc/46/31/50/618463150.db2.gz HYGMFBZDPIRUQT-INIZCTEOSA-N 1 0 289.448 3.493 20 10 CGCDRO CCN(CC)C[C@@H](C)[NH2+][C@H](C)c1ccc(C)cc1O ZINC000045691446 618621939 /nfs/dbraw/zinc/62/19/39/618621939.db2.gz SHEWYHYILNSHJQ-ZIAGYGMSSA-N 1 0 264.413 3.082 20 10 CGCDRO COc1ccc(C[NH2+]Cc2ccccc2C)c(O)c1OC ZINC000892411351 618763903 /nfs/dbraw/zinc/76/39/03/618763903.db2.gz HNZKFEDWXXNCCP-UHFFFAOYSA-N 1 0 287.359 3.008 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](C)c2ccccc2)c(O)c1OC ZINC000892434056 618778400 /nfs/dbraw/zinc/77/84/00/618778400.db2.gz WYBGCNCZDPYPQE-LBPRGKRZSA-N 1 0 287.359 3.260 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]Cc2cccnc2N(C)C)c(O)c1 ZINC000185015728 625292212 /nfs/dbraw/zinc/29/22/12/625292212.db2.gz PIWBUZZZMACBIT-ZDUSSCGKSA-N 1 0 285.391 3.012 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CCC(F)(F)C2)cc1C ZINC000310775399 618865161 /nfs/dbraw/zinc/86/51/61/618865161.db2.gz AMXPDMDCGHKMCG-GFCCVEGCSA-N 1 0 255.308 3.281 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc(OC)o2)cc1 ZINC000892614440 618874674 /nfs/dbraw/zinc/87/46/74/618874674.db2.gz JMCQNVHFXLVUBB-UHFFFAOYSA-N 1 0 288.391 3.424 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1CCCC(F)(F)[C@H]1O)c1ccc(C)cc1O ZINC000840886728 618891952 /nfs/dbraw/zinc/89/19/52/618891952.db2.gz OGFSSMHGYBMTNL-NFAWXSAZSA-N 1 0 299.361 3.290 20 10 CGCDRO Cc1ccsc1[C@H](CO)[NH2+][C@H](C)c1ccccc1O ZINC000783518731 618912401 /nfs/dbraw/zinc/91/24/01/618912401.db2.gz NXWTZCOHGZKLHY-YPMHNXCESA-N 1 0 277.389 3.146 20 10 CGCDRO CSCCCC[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000168785120 618913933 /nfs/dbraw/zinc/91/39/33/618913933.db2.gz XKPWZHHIBDJTGM-LBPRGKRZSA-N 1 0 253.411 3.494 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCCSC2)c1 ZINC000168814773 618914242 /nfs/dbraw/zinc/91/42/42/618914242.db2.gz WSEQCMZVWLWHNU-NEPJUHHUSA-N 1 0 251.395 3.247 20 10 CGCDRO CC(C)Cc1ccc(C[NH2+]Cc2ccccc2O)cn1 ZINC000892791871 618936836 /nfs/dbraw/zinc/93/68/36/618936836.db2.gz QDWKCWFFRICSJT-UHFFFAOYSA-N 1 0 270.376 3.276 20 10 CGCDRO COc1cccc(O)c1CN[C@H](C)c1nc(C)cs1 ZINC000892856122 618944453 /nfs/dbraw/zinc/94/44/53/618944453.db2.gz NJMIRUSXOCEJOL-SNVBAGLBSA-N 1 0 278.377 3.017 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCO[C@H](Cc3ccccc3)C2)c1 ZINC000181920778 619029966 /nfs/dbraw/zinc/02/99/66/619029966.db2.gz MOQGGRGKTCNJKN-GOSISDBHSA-N 1 0 297.398 3.144 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCCO[C@@H]2CC(C)C)c1 ZINC000185192454 619058494 /nfs/dbraw/zinc/05/84/94/619058494.db2.gz CNUVYHYODVINSK-NVXWUHKLSA-N 1 0 277.408 3.384 20 10 CGCDRO CCc1cnc(CC[NH2+][C@@H](C)c2cc(F)ccc2O)s1 ZINC000185583882 619063023 /nfs/dbraw/zinc/06/30/23/619063023.db2.gz YYSKKTSSBQFRJV-JTQLQIEISA-N 1 0 294.395 3.444 20 10 CGCDRO Cc1cccc(C[NH2+][C@H](C)[C@H](c2ccccc2)N(C)C)c1O ZINC000186457582 619070770 /nfs/dbraw/zinc/07/07/70/619070770.db2.gz HGWLKUGALTVJGP-CRAIPNDOSA-N 1 0 298.430 3.482 20 10 CGCDRO CC(C)[C@H](C[NH2+][C@H](C)c1ccccc1O)c1ccnn1C ZINC000788260102 619124941 /nfs/dbraw/zinc/12/49/41/619124941.db2.gz SWLSCVBQDMRCJD-HIFRSBDPSA-N 1 0 287.407 3.216 20 10 CGCDRO CCOC[C@@H]1CCCC[N@@H+]1Cc1cccc(C)c1O ZINC000313467436 619173543 /nfs/dbraw/zinc/17/35/43/619173543.db2.gz HDNIBRAJMJBWDZ-HNNXBMFYSA-N 1 0 263.381 3.092 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H]2C[C@H](OC(C)C)C2(C)C)c1 ZINC000185242063 625327266 /nfs/dbraw/zinc/32/72/66/625327266.db2.gz XBURQEXCICLEKZ-CVEARBPZSA-N 1 0 293.407 3.083 20 10 CGCDRO COc1ccccc1CC[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000184861576 619222138 /nfs/dbraw/zinc/22/21/38/619222138.db2.gz RSSKNYFFXVYUPR-LBPRGKRZSA-N 1 0 289.350 3.433 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2COc3ccccc3C2)c1 ZINC000185224178 619222707 /nfs/dbraw/zinc/22/27/07/619222707.db2.gz HCJXHNOJTNSTEA-DZGCQCFKSA-N 1 0 283.371 3.355 20 10 CGCDRO COc1ccc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)o1 ZINC000893683323 619278792 /nfs/dbraw/zinc/27/87/92/619278792.db2.gz GWTFXHUDCHAIMU-GFCCVEGCSA-N 1 0 274.364 3.205 20 10 CGCDRO CCOc1ccc(C[NH2+]C[C@H](C)CC(F)(F)F)c(O)c1 ZINC000840964893 619285105 /nfs/dbraw/zinc/28/51/05/619285105.db2.gz XFRORQKUGVEJJH-SNVBAGLBSA-N 1 0 291.313 3.469 20 10 CGCDRO COc1ccc(N2CCC([NH2+]CC=C(C)C)CC2)cc1 ZINC000178772074 619384911 /nfs/dbraw/zinc/38/49/11/619384911.db2.gz VIFICTIJTCKJMW-UHFFFAOYSA-N 1 0 274.408 3.220 20 10 CGCDRO COc1cc(C)cc(C[NH2+]Cc2ccc(F)cc2)c1O ZINC000894149707 619393789 /nfs/dbraw/zinc/39/37/89/619393789.db2.gz OAIKYJRCVYLSRG-UHFFFAOYSA-N 1 0 275.323 3.138 20 10 CGCDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894202818 619413211 /nfs/dbraw/zinc/41/32/11/619413211.db2.gz MHIAUUONBSVZQN-VXGBXAGGSA-N 1 0 251.370 3.233 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@H]2CCCC(F)(F)C2)c1O ZINC000894331286 619494101 /nfs/dbraw/zinc/49/41/01/619494101.db2.gz DGVMQQVXYKOAAJ-LBPRGKRZSA-N 1 0 285.334 3.377 20 10 CGCDRO COc1cccc(C[NH2+]C2C[C@@H]3CCC[C@H]3C2)c1O ZINC000894457826 619543875 /nfs/dbraw/zinc/54/38/75/619543875.db2.gz IQSIMMFSTONFQO-RYUDHWBXSA-N 1 0 261.365 3.069 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C2CC3(C2)CO[C@@H](C)C3)c1 ZINC000894503182 619556798 /nfs/dbraw/zinc/55/67/98/619556798.db2.gz YROHQEOLKIPFQO-IWZJZLAVSA-N 1 0 291.391 3.009 20 10 CGCDRO CC[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000894689198 619605860 /nfs/dbraw/zinc/60/58/60/619605860.db2.gz HXGRTVHIVJJQKN-OLZOCXBDSA-N 1 0 293.407 3.325 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCOC[C@@H]1C(C)C ZINC000925081524 619644049 /nfs/dbraw/zinc/64/40/49/619644049.db2.gz RCAQNIUXWINBSN-MSOLQXFVSA-N 1 0 290.451 3.212 20 10 CGCDRO COc1cc(C)cc(C[NH2+]Cc2cnc(C)cc2C)c1O ZINC000894944378 619684671 /nfs/dbraw/zinc/68/46/71/619684671.db2.gz XLUSEOQANPXZBJ-UHFFFAOYSA-N 1 0 286.375 3.011 20 10 CGCDRO COc1ccc(C[N@@H+]2CC[C@H](C3CCC3)C2)c(O)c1OC ZINC000894947278 619685525 /nfs/dbraw/zinc/68/55/25/619685525.db2.gz DWRSMGZPPFLZCJ-ZDUSSCGKSA-N 1 0 291.391 3.031 20 10 CGCDRO CCOc1ccc(C[NH2+]Cc2cc(Cl)ccc2O)o1 ZINC000895155270 619759299 /nfs/dbraw/zinc/75/92/99/619759299.db2.gz GUHVBTIBIMTHGC-UHFFFAOYSA-N 1 0 281.739 3.327 20 10 CGCDRO CN(C)c1ccc(C[NH2+]Cc2cc(Cl)ccc2O)cc1 ZINC000020146086 619767187 /nfs/dbraw/zinc/76/71/87/619767187.db2.gz CXXAOCGUKCZUAJ-UHFFFAOYSA-N 1 0 290.794 3.401 20 10 CGCDRO COc1ccc(O)c(C[NH2+]CC[C@@H]2CCCC2(F)F)c1 ZINC000895544529 619847209 /nfs/dbraw/zinc/84/72/09/619847209.db2.gz LBRRDQLTSYALHT-LBPRGKRZSA-N 1 0 285.334 3.316 20 10 CGCDRO COC(=O)c1ccc(C[NH2+][C@@H](C)c2ccccc2O)cc1C ZINC000895852366 619897398 /nfs/dbraw/zinc/89/73/98/619897398.db2.gz TWQGNRTVPJFTSE-ZDUSSCGKSA-N 1 0 299.370 3.338 20 10 CGCDRO COc1ccc(C[NH2+]CC2(C3(O)CCC3)CCC2)cc1C ZINC000895870216 619898930 /nfs/dbraw/zinc/89/89/30/619898930.db2.gz LTQWIBFYTCLEAA-UHFFFAOYSA-N 1 0 289.419 3.179 20 10 CGCDRO COc1ccc(C[NH2+]CC2(CC3CC3)CC2)c(O)c1OC ZINC000895995833 619927724 /nfs/dbraw/zinc/92/77/24/619927724.db2.gz VMUPODGFVJYNGV-UHFFFAOYSA-N 1 0 291.391 3.079 20 10 CGCDRO COc1cccc(C[NH2+]CC(C)(C)CC(F)F)c1O ZINC000883252139 619935901 /nfs/dbraw/zinc/93/59/01/619935901.db2.gz SYTWPVCMDVEZGB-UHFFFAOYSA-N 1 0 273.323 3.172 20 10 CGCDRO CC(C)=CC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000072952785 625392437 /nfs/dbraw/zinc/39/24/37/625392437.db2.gz IBJKOMVWYPJVQN-MRXNPFEDSA-N 1 0 275.392 3.339 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]C[C@@H]1CCCC2(CCC2)O1 ZINC000896919541 620100949 /nfs/dbraw/zinc/10/09/49/620100949.db2.gz ZTOHQTZHMNLJLZ-AWEZNQCLSA-N 1 0 279.355 3.113 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]CCc1c(F)cc(O)cc1F ZINC000897304704 620186881 /nfs/dbraw/zinc/18/68/81/620186881.db2.gz HQZIUUJUQUDTTC-UHFFFAOYSA-N 1 0 293.313 3.017 20 10 CGCDRO CC(C)[C@H](C[NH2+]Cc1cc(Cl)ccc1O)N1CCCC1 ZINC000021510128 620211785 /nfs/dbraw/zinc/21/17/85/620211785.db2.gz MQTAFKJRMVTMNM-HNNXBMFYSA-N 1 0 296.842 3.256 20 10 CGCDRO CCc1cccc(C[NH2+][C@H]2c3ccccc3CC[C@H]2O)c1O ZINC000897339941 620213089 /nfs/dbraw/zinc/21/30/89/620213089.db2.gz PLCDAUZESDIJOL-MSOLQXFVSA-N 1 0 297.398 3.093 20 10 CGCDRO COc1ccc(O)c(C[NH2+]CC[C@@H]2CCC(C)(C)CO2)c1 ZINC000897477532 620345724 /nfs/dbraw/zinc/34/57/24/620345724.db2.gz AZYPYPASJCOQLA-AWEZNQCLSA-N 1 0 293.407 3.086 20 10 CGCDRO CC[C@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1O)OC ZINC000841752991 620388252 /nfs/dbraw/zinc/38/82/52/620388252.db2.gz DLOSENKGTGNMJR-GXSJLCMTSA-N 1 0 257.761 3.121 20 10 CGCDRO COc1cc(O)c(C[NH2+][C@H]2CCCC3(CC3)C2)cc1OC ZINC000897773511 620427272 /nfs/dbraw/zinc/42/72/72/620427272.db2.gz JTCBBKGAQNCLES-ZDUSSCGKSA-N 1 0 291.391 3.222 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCSC(C)(C)C2)c1 ZINC000897798237 620434341 /nfs/dbraw/zinc/43/43/41/620434341.db2.gz PHCGOLLHZJVNKC-GFCCVEGCSA-N 1 0 281.421 3.165 20 10 CGCDRO CC[C@@H]([NH2+]CC[C@H](OC)C(F)(F)F)c1ccccc1O ZINC000786951167 620436227 /nfs/dbraw/zinc/43/62/27/620436227.db2.gz URKXBELNBCQKCA-YPMHNXCESA-N 1 0 291.313 3.400 20 10 CGCDRO C[C@@H]1CCC[C@H](C[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)C1 ZINC000841044509 620543250 /nfs/dbraw/zinc/54/32/50/620543250.db2.gz ZDNXPMUUOHOXEH-RVKKMQEKSA-N 1 0 289.467 3.168 20 10 CGCDRO COC[C@H](C[NH2+][C@@H](C)c1ccc(C)cc1O)C(C)C ZINC000927097320 620575730 /nfs/dbraw/zinc/57/57/30/620575730.db2.gz UOCOYVLZLDCMCT-KBPBESRZSA-N 1 0 265.397 3.270 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]CCc1ccsc1 ZINC000042599253 621275391 /nfs/dbraw/zinc/27/53/91/621275391.db2.gz GHXHXBCSSATUJI-UHFFFAOYSA-N 1 0 267.781 3.439 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)N[C@@H]2C[NH2+]CC2(C)C)c1O ZINC000902441649 621320524 /nfs/dbraw/zinc/32/05/24/621320524.db2.gz FNACFUNZKVWZSZ-GXFFZTMASA-N 1 0 282.815 3.003 20 10 CGCDRO CNc1ccccc1C[NH2+][C@@H](C)c1ccccc1O ZINC000902644017 621392126 /nfs/dbraw/zinc/39/21/26/621392126.db2.gz NOAMOEGYBQUXFV-LBPRGKRZSA-N 1 0 256.349 3.285 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccccc1O)[C@@H]1COc2ccccc2C1 ZINC000902786368 621445575 /nfs/dbraw/zinc/44/55/75/621445575.db2.gz NDLMGQIUUUNSTD-CJNGLKHVSA-N 1 0 283.371 3.122 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCN(C)[C@@H]1C)c1ccc2ccccc2c1O ZINC000903302091 621668337 /nfs/dbraw/zinc/66/83/37/621668337.db2.gz YULUXJVKORMRPY-AHIWAGSCSA-N 1 0 284.403 3.289 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCOc2ccc(C#N)cc2)c1 ZINC000186080109 625511720 /nfs/dbraw/zinc/51/17/20/625511720.db2.gz GBZSBXFKWSEFKP-AWEZNQCLSA-N 1 0 296.370 3.302 20 10 CGCDRO CC[C@@H]([NH2+]C1CC(CCO)C1)c1cc(Cl)ccc1O ZINC000903330579 621705770 /nfs/dbraw/zinc/70/57/70/621705770.db2.gz RUTOPTOJQJBFKY-MMWSSPAHSA-N 1 0 283.799 3.247 20 10 CGCDRO COC(C)(C)[C@H](C)[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000903331441 621706385 /nfs/dbraw/zinc/70/63/85/621706385.db2.gz NSHKSQUSLUYCIO-JBLDHEPKSA-N 1 0 281.371 3.483 20 10 CGCDRO CC1(C)CCC[C@@H](C[NH2+][C@H]2CCc3cccc(O)c32)O1 ZINC000903356097 621712984 /nfs/dbraw/zinc/71/29/84/621712984.db2.gz OUDGEHWCUYQUAA-KBPBESRZSA-N 1 0 275.392 3.317 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+][C@@H]1CCOC13CCCC3)CC2 ZINC000903389328 621727959 /nfs/dbraw/zinc/72/79/59/621727959.db2.gz PGQITFVKJLDFPO-UKRRQHHQSA-N 1 0 273.376 3.071 20 10 CGCDRO CCO[C@H]1C[C@@H]([NH2+][C@@H](C)c2c(C)cc(C)cc2O)C1 ZINC000840763767 625555926 /nfs/dbraw/zinc/55/59/26/625555926.db2.gz KRCMVZDURPAQBB-MELADBBJSA-N 1 0 263.381 3.227 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H]1CCCS1)c1ccccc1O ZINC000149724353 622375014 /nfs/dbraw/zinc/37/50/14/622375014.db2.gz OQBUFTRHZCCMIA-AAEUAGOBSA-N 1 0 251.395 3.329 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CCC[C@@H]2CSC)c(O)c1 ZINC000769513511 625572494 /nfs/dbraw/zinc/57/24/94/625572494.db2.gz AYIZYHIDEKVLQN-CYBMUJFWSA-N 1 0 281.421 3.118 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CCCC(C)(C)C2)c1O ZINC000156036480 622637449 /nfs/dbraw/zinc/63/74/49/622637449.db2.gz IVNMASVIUQDJNI-UHFFFAOYSA-N 1 0 263.381 3.413 20 10 CGCDRO CCOc1ncccc1C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000151185220 622743633 /nfs/dbraw/zinc/74/36/33/622743633.db2.gz RJHFLLIVXYBRSX-CQSZACIVSA-N 1 0 299.418 3.397 20 10 CGCDRO CCCC[N@H+](CC)Cc1cc(C)cc(OC)c1O ZINC000163931002 622809251 /nfs/dbraw/zinc/80/92/51/622809251.db2.gz QKHYUVSTCLNREX-UHFFFAOYSA-N 1 0 251.370 3.331 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H]1CCCN1CC)c1ccc(N(C)C)cc1 ZINC000156572071 622826187 /nfs/dbraw/zinc/82/61/87/622826187.db2.gz HCVQLMQIGOXQPL-ZWKOTPCHSA-N 1 0 289.467 3.278 20 10 CGCDRO CC[C@@H]1C[N@H+](Cc2cc(C)cc(OC)c2O)CCS1 ZINC000164428926 622834566 /nfs/dbraw/zinc/83/45/66/622834566.db2.gz GQNWSPYBSYVEHC-CYBMUJFWSA-N 1 0 281.421 3.037 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCSC(C)(C)C2)c1 ZINC000164470647 622835948 /nfs/dbraw/zinc/83/59/48/622835948.db2.gz YQSXDDCXTIUWHN-UHFFFAOYSA-N 1 0 265.422 3.336 20 10 CGCDRO Cc1cc(O)c(CN2CC[NH2+]C[C@@H]2c2ccccc2)cc1C ZINC000841100560 622878060 /nfs/dbraw/zinc/87/80/60/622878060.db2.gz HYTDEKHJSNOXRU-GOSISDBHSA-N 1 0 296.414 3.156 20 10 CGCDRO C[C@H]([NH2+]CC1(CO)CCCCC1)c1ccc(N(C)C)cc1 ZINC000157963979 622987828 /nfs/dbraw/zinc/98/78/28/622987828.db2.gz DKYWOHHILVGGBJ-HNNXBMFYSA-N 1 0 290.451 3.346 20 10 CGCDRO C[C@@H]1CCC[C@H](C[NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000227439758 623019537 /nfs/dbraw/zinc/01/95/37/623019537.db2.gz AJZGYUKRTLRCAV-NEPJUHHUSA-N 1 0 277.364 3.037 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2CCC[C@H](O)C2)cc1 ZINC000230668708 623258067 /nfs/dbraw/zinc/25/80/67/623258067.db2.gz XFJFPIPZTOJJIR-WMZOPIPTSA-N 1 0 290.451 3.174 20 10 CGCDRO CS[C@H]1CC[C@@H]([NH2+]Cc2c(O)cccc2Cl)C1 ZINC000230698213 623263458 /nfs/dbraw/zinc/26/34/58/623263458.db2.gz RGJOXXVEZKFGQY-ZJUUUORDSA-N 1 0 271.813 3.419 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@](C)(CO)C2CCCCC2)cc1C ZINC000174420495 623391802 /nfs/dbraw/zinc/39/18/02/623391802.db2.gz MFUCBFCMXWCXHI-SFHVURJKSA-N 1 0 291.435 3.430 20 10 CGCDRO [NH3+]Cc1ccc2c(c1)CCCN2C[C@H]1CCC(F)(F)C1 ZINC000312135698 623484208 /nfs/dbraw/zinc/48/42/08/623484208.db2.gz NSZHZLAKKQJBQT-ZDUSSCGKSA-N 1 0 280.362 3.333 20 10 CGCDRO Cc1cccc(C[NH2+]Cc2ccc3c(c2)CCCO3)n1 ZINC000921554483 625672987 /nfs/dbraw/zinc/67/29/87/625672987.db2.gz BTCWWNBLPFIXRC-UHFFFAOYSA-N 1 0 268.360 3.005 20 10 CGCDRO CC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000154141341 624208117 /nfs/dbraw/zinc/20/81/17/624208117.db2.gz NOXPYBQQIMXBFU-WMZOPIPTSA-N 1 0 288.435 3.192 20 10 CGCDRO c1ccc2nc(C[NH2+]Cc3ccc4c(c3)CCO4)ccc2c1 ZINC000921067409 624563979 /nfs/dbraw/zinc/56/39/79/624563979.db2.gz RANSNEBFNAYNQU-UHFFFAOYSA-N 1 0 290.366 3.460 20 10 CGCDRO CCN(CCC[NH+](CC)CC)Cc1cc(F)ccc1O ZINC000233431626 624628234 /nfs/dbraw/zinc/62/82/34/624628234.db2.gz TVVZLGFWRZYOQN-UHFFFAOYSA-N 1 0 282.403 3.085 20 10 CGCDRO CCC[C@H](C)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000179617091 624672592 /nfs/dbraw/zinc/67/25/92/624672592.db2.gz HOAMZUAXBSSQPX-INIZCTEOSA-N 1 0 290.451 3.391 20 10 CGCDRO CC(=O)Nc1cccc(C[NH2+][C@@H](C)c2ccccc2O)c1 ZINC000179899348 624693735 /nfs/dbraw/zinc/69/37/35/624693735.db2.gz KTDCSWCAKVTIKW-LBPRGKRZSA-N 1 0 284.359 3.201 20 10 CGCDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cc(OC)ccc2O)C1(C)C ZINC000180395394 624745172 /nfs/dbraw/zinc/74/51/72/624745172.db2.gz WQXOXXITFLXUHW-HZPDHXFCSA-N 1 0 293.407 3.036 20 10 CGCDRO COc1cc(O)c(C[N@H+](C(C)C)C2CCC2)cc1OC ZINC000180400391 624745188 /nfs/dbraw/zinc/74/51/88/624745188.db2.gz NLKKBIOUEUDAJQ-UHFFFAOYSA-N 1 0 279.380 3.172 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)[C@H]2CCCC[C@H]12 ZINC000181404725 624854810 /nfs/dbraw/zinc/85/48/10/624854810.db2.gz DAKBWXDPCQLIFZ-BNOWGMLFSA-N 1 0 289.375 3.131 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CC[C@@H](C)C[C@H]2C)c1 ZINC000070111101 624958604 /nfs/dbraw/zinc/95/86/04/624958604.db2.gz FTQYGOGTQAJVRF-LALPHHSUSA-N 1 0 263.381 3.315 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCSCC(C)C)c1 ZINC000182381260 624995200 /nfs/dbraw/zinc/99/52/00/624995200.db2.gz OLVMOWHJWISGSL-LBPRGKRZSA-N 1 0 283.437 3.441 20 10 CGCDRO CN(Cc1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000071711268 625139408 /nfs/dbraw/zinc/13/94/08/625139408.db2.gz FPNCPGGPSQJLPS-UHFFFAOYSA-N 1 0 284.403 3.263 20 10 CGCDRO CCC(CC)(C[NH2+][C@@H](C)c1ccc(C)cc1O)C(=O)OC ZINC000183876681 625160959 /nfs/dbraw/zinc/16/09/59/625160959.db2.gz PLMKZNFRYSBLSN-ZDUSSCGKSA-N 1 0 293.407 3.331 20 10 CGCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C)[C@H]2C)c1O ZINC000184702048 625263550 /nfs/dbraw/zinc/26/35/50/625263550.db2.gz PCBPNONWJAXJQQ-NXEZZACHSA-N 1 0 269.772 3.285 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cncc(C)c2)c(O)c1 ZINC000186191887 625749126 /nfs/dbraw/zinc/74/91/26/625749126.db2.gz XEMNWNULKBCOFV-CYBMUJFWSA-N 1 0 256.349 3.255 20 10 CGCDRO COc1ccc(C[NH2+]Cc2ccc3c(c2)CCCO3)cc1O ZINC000921657081 625810705 /nfs/dbraw/zinc/81/07/05/625810705.db2.gz YORWHXDEAVYFGD-UHFFFAOYSA-N 1 0 299.370 3.016 20 10 CGCDRO CCC1([NH2+]Cc2ccc3c(c2)CCCO3)CCOCC1 ZINC000921943576 625941140 /nfs/dbraw/zinc/94/11/40/625941140.db2.gz LDJPIQFONSSDFM-UHFFFAOYSA-N 1 0 275.392 3.060 20 10 CGCDRO CCO[C@@H]1CCC[C@H]([NH2+][C@H](C)c2ccccc2O)C1 ZINC000922329653 625998886 /nfs/dbraw/zinc/99/88/86/625998886.db2.gz PBOLQKYRYIWWDM-HZSPNIEDSA-N 1 0 263.381 3.391 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H](c2ccccn2)C2CC2)cc1 ZINC000922584707 626016805 /nfs/dbraw/zinc/01/68/05/626016805.db2.gz FGFOZKFNCOSAPP-GOSISDBHSA-N 1 0 281.403 3.389 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)cc1 ZINC000922894148 626090975 /nfs/dbraw/zinc/09/09/75/626090975.db2.gz YNKBFYKFYSMLNH-AEFFLSMTSA-N 1 0 288.435 3.047 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)c1ccn(C)n1 ZINC000840818804 626321891 /nfs/dbraw/zinc/32/18/91/626321891.db2.gz ZSWVKTAODHHYMS-QWHCGFSZSA-N 1 0 299.418 3.416 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000839191998 626328604 /nfs/dbraw/zinc/32/86/04/626328604.db2.gz RRYALWMYMWOXJH-JLUCKKNBSA-N 1 0 261.365 3.240 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)cc1 ZINC000839193520 626329274 /nfs/dbraw/zinc/32/92/74/626329274.db2.gz VJYPICQMSOLWFC-HOTGVXAUSA-N 1 0 276.449 3.223 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2C[C@H]2CC(C)C)c1 ZINC000839163021 626330101 /nfs/dbraw/zinc/33/01/01/626330101.db2.gz MHDUWXJYRHYQID-IUODEOHRSA-N 1 0 263.381 3.315 20 10 CGCDRO CCN(CC)[C@H](C)C[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000788803566 626330742 /nfs/dbraw/zinc/33/07/42/626330742.db2.gz GNQVSEKJKUWCKS-HUUCEWRRSA-N 1 0 278.440 3.390 20 10 CGCDRO CS[C@@H](C[NH2+]Cc1cc(F)ccc1O)C(C)(C)C ZINC000753567590 626455570 /nfs/dbraw/zinc/45/55/70/626455570.db2.gz BHQGXALAANFLPS-ZDUSSCGKSA-N 1 0 271.401 3.399 20 10 CGCDRO CC[NH+](CC)CCC[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756343321 626694115 /nfs/dbraw/zinc/69/41/15/626694115.db2.gz XWYAFSKYAMDOFL-LLVKDONJSA-N 1 0 286.366 3.053 20 10 CGCDRO CCN(CC)CC[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000756354923 626695234 /nfs/dbraw/zinc/69/52/34/626695234.db2.gz KOOXVOPMYYWNIN-CQSZACIVSA-N 1 0 290.451 3.263 20 10 CGCDRO CCN(CC)CC[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756354599 626695253 /nfs/dbraw/zinc/69/52/53/626695253.db2.gz FXBNLIRBUUKYMN-DGCLKSJQSA-N 1 0 280.387 3.011 20 10 CGCDRO C[C@H]([NH2+]C[C@@H](O)c1ccco1)c1cc(Cl)ccc1O ZINC000756384720 626699367 /nfs/dbraw/zinc/69/93/67/626699367.db2.gz OFJJPMQTEMZKRC-TVQRCGJNSA-N 1 0 281.739 3.023 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCOC2)c2c1c(F)ccc2O ZINC000756440446 626706278 /nfs/dbraw/zinc/70/62/78/626706278.db2.gz DUTKIFHKALTLOK-NQBHXWOUSA-N 1 0 279.355 3.096 20 10 CGCDRO CC[C@H](C)N(C)CC[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000756536648 626713468 /nfs/dbraw/zinc/71/34/68/626713468.db2.gz SFUNEGOAEQOKGC-DZGCQCFKSA-N 1 0 278.440 3.390 20 10 CGCDRO Cc1cc(C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)on1 ZINC000756542506 626713933 /nfs/dbraw/zinc/71/39/33/626713933.db2.gz AUIWMTDIRDMHQG-PELKAZGASA-N 1 0 276.311 3.166 20 10 CGCDRO CC(C)[C@H](CCO)[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756610919 626720815 /nfs/dbraw/zinc/72/08/15/626720815.db2.gz URTJYTYCSPKKIN-WXHSDQCUSA-N 1 0 281.371 3.076 20 10 CGCDRO C[C@H](C[NH2+][C@@H](C)c1cc(F)ccc1O)c1ccncc1 ZINC000756632244 626722233 /nfs/dbraw/zinc/72/22/33/626722233.db2.gz BDMMVAOIUYNCCN-NEPJUHHUSA-N 1 0 274.339 3.381 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2csc(N(C)C)n2)c1 ZINC000756637047 626722920 /nfs/dbraw/zinc/72/29/20/626722920.db2.gz LKLUHNWEWMDHAY-LLVKDONJSA-N 1 0 291.420 3.074 20 10 CGCDRO CO[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)C1(C)C ZINC000756646727 626723994 /nfs/dbraw/zinc/72/39/94/626723994.db2.gz DAKPQZUNDMTNEP-DTCNJJKHSA-N 1 0 293.382 3.483 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](CO)CC2)c2c1c(F)ccc2O ZINC000756644342 626724067 /nfs/dbraw/zinc/72/40/67/626724067.db2.gz ARQYGEGDEDQFPL-BYNQJWBRSA-N 1 0 293.382 3.220 20 10 CGCDRO C[C@H]1C[C@H]([NH2+]CCc2ccncc2)c2c1c(F)ccc2O ZINC000756660087 626725142 /nfs/dbraw/zinc/72/51/42/626725142.db2.gz RRXDVRONWLEGSP-FZMZJTMJSA-N 1 0 286.350 3.307 20 10 CGCDRO CCC1(O)CCC([NH2+][C@H](C)c2cc(C)ccc2O)CC1 ZINC000756675063 626726698 /nfs/dbraw/zinc/72/66/98/626726698.db2.gz FBWKYNNJXRLRHB-TUBUQKNSSA-N 1 0 277.408 3.435 20 10 CGCDRO CC[C@H](O)CCC[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000756736684 626728499 /nfs/dbraw/zinc/72/84/99/626728499.db2.gz CGBBGLYUYDFPCG-PWSUYJOCSA-N 1 0 271.788 3.247 20 10 CGCDRO CCC(CC)(CO)C[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756770897 626730816 /nfs/dbraw/zinc/73/08/16/626730816.db2.gz PIMHXMPMHLXTDY-DGCLKSJQSA-N 1 0 295.398 3.468 20 10 CGCDRO Cc1cc(C[N@@H+]2CCO[C@H](C3CCC3)C2)ccc1N(C)C ZINC000839623505 626767538 /nfs/dbraw/zinc/76/75/38/626767538.db2.gz FEGNKZUYLIUEPQ-SFHVURJKSA-N 1 0 288.435 3.062 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCOC[C@@H]2C)c2c1c(F)ccc2O ZINC000762647153 627118893 /nfs/dbraw/zinc/11/88/93/627118893.db2.gz DQBVOJZVYAWZLR-URBCHYCLSA-N 1 0 279.355 3.094 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCC(F)(F)C2)c1 ZINC000763520370 627162644 /nfs/dbraw/zinc/16/26/44/627162644.db2.gz DDLXLAAHRMOHBD-LLVKDONJSA-N 1 0 271.307 3.068 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCC(F)(F)C2)c1 ZINC000763520372 627163069 /nfs/dbraw/zinc/16/30/69/627163069.db2.gz DDLXLAAHRMOHBD-NSHDSACASA-N 1 0 271.307 3.068 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)c(O)c1 ZINC000763525676 627163312 /nfs/dbraw/zinc/16/33/12/627163312.db2.gz LHQNSHDNOLQXQO-CZUORRHYSA-N 1 0 293.407 3.084 20 10 CGCDRO COc1cccc(O)c1C[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000763533281 627163761 /nfs/dbraw/zinc/16/37/61/627163761.db2.gz ZUXBFVSKUOJAAH-LRDDRELGSA-N 1 0 293.407 3.084 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@H+]2CC[C@H](N3CCCC3)[C@@H]2C)c1 ZINC000808193007 627176131 /nfs/dbraw/zinc/17/61/31/627176131.db2.gz TZVMMGOUNUEIQU-RDJZCZTQSA-N 1 0 288.435 3.068 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CC[C@H]2CCCO2)cc1 ZINC000764841832 627228889 /nfs/dbraw/zinc/22/88/89/627228889.db2.gz USPIEGICXKQONE-WMLDXEAASA-N 1 0 276.424 3.362 20 10 CGCDRO CC[C@H]([NH2+]CCNc1ccccn1)c1ccc(N(C)C)cc1 ZINC000766141665 627299500 /nfs/dbraw/zinc/29/95/00/627299500.db2.gz IUYNUFFHKVNQET-KRWDZBQOSA-N 1 0 298.434 3.300 20 10 CGCDRO CC[C@H]([NH2+]CCN1CC[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000766380367 627325503 /nfs/dbraw/zinc/32/55/03/627325503.db2.gz CWQCFFZELBVPEO-QAPCUYQASA-N 1 0 289.467 3.135 20 10 CGCDRO C[C@@]1(C[NH2+]Cc2c(O)cccc2Cl)CCO[C@@H]1C1CC1 ZINC000767195211 627389109 /nfs/dbraw/zinc/38/91/09/627389109.db2.gz JTOTWULZBPQVKB-CVEARBPZSA-N 1 0 295.810 3.340 20 10 CGCDRO CCCN(CCC)c1ccc(C[NH2+]C2(CO)CCC2)cc1 ZINC000767929219 627444707 /nfs/dbraw/zinc/44/47/07/627444707.db2.gz MAVSHZPGRDFUDD-UHFFFAOYSA-N 1 0 290.451 3.318 20 10 CGCDRO COc1cccc(O)c1C[NH+]1CCC(C(F)(F)F)CC1 ZINC000768240696 627470905 /nfs/dbraw/zinc/47/09/05/627470905.db2.gz CWICVSNDFHCKPH-UHFFFAOYSA-N 1 0 289.297 3.175 20 10 CGCDRO CC(C)CC[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000768263031 627471816 /nfs/dbraw/zinc/47/18/16/627471816.db2.gz PENSMAJVQIZSBE-UHFFFAOYSA-N 1 0 252.377 3.370 20 10 CGCDRO CCC[C@@H](C)[N@H+](C)Cc1cc(OCC)ccc1O ZINC000768340071 627474219 /nfs/dbraw/zinc/47/42/19/627474219.db2.gz ZPFMNVYMOLELHZ-GFCCVEGCSA-N 1 0 251.370 3.411 20 10 CGCDRO CCCC[N@H+](Cc1cc2c(cc1O)OC[C@@H]2O)[C@H](C)CC ZINC000768439079 627480141 /nfs/dbraw/zinc/48/01/41/627480141.db2.gz GNDQWMJXMPJTRB-WBMJQRKESA-N 1 0 293.407 3.219 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CCCCC[C@H]2C)cc1OC ZINC000768448742 627480318 /nfs/dbraw/zinc/48/03/18/627480318.db2.gz WZINAIRSCPVYLO-GFCCVEGCSA-N 1 0 279.380 3.174 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H](C)OC[C@@H]2C)cc1 ZINC000768537117 627485546 /nfs/dbraw/zinc/48/55/46/627485546.db2.gz MNGXCONBYSOTOP-GJZGRUSLSA-N 1 0 276.424 3.142 20 10 CGCDRO CC(C)C[C@@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000768543416 627486212 /nfs/dbraw/zinc/48/62/12/627486212.db2.gz JEZSXKMPLAJKQP-MRXNPFEDSA-N 1 0 290.451 3.390 20 10 CGCDRO CCC[N@H+](Cc1c(O)cccc1Cl)CC(C)(C)O ZINC000769326301 627541752 /nfs/dbraw/zinc/54/17/52/627541752.db2.gz IPQVXLTXAGIAFQ-UHFFFAOYSA-N 1 0 271.788 3.029 20 10 CGCDRO CCOc1ccc(C[N@H+](C)C(C)(C)CC)c(O)c1 ZINC000769382852 627546887 /nfs/dbraw/zinc/54/68/87/627546887.db2.gz YBHYHHHFFGKULL-UHFFFAOYSA-N 1 0 251.370 3.411 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CC[C@H](C)[C@H](C)C2)c(O)c1 ZINC000769451576 627554354 /nfs/dbraw/zinc/55/43/54/627554354.db2.gz NFEFUAPHRYPKCV-QWHCGFSZSA-N 1 0 263.381 3.269 20 10 CGCDRO CN(C)c1ccc(C[N@H+]2CC=C(C(F)(F)F)CC2)cc1 ZINC000769483772 627559418 /nfs/dbraw/zinc/55/94/18/627559418.db2.gz IXFJRTJPTJNBIZ-UHFFFAOYSA-N 1 0 284.325 3.447 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)CC(C)(C)OC)cc1 ZINC000770331650 627614235 /nfs/dbraw/zinc/61/42/35/627614235.db2.gz ZHERITXHEPPHCQ-UHFFFAOYSA-N 1 0 278.440 3.390 20 10 CGCDRO CC[C@H]1C[N@H+](Cc2cc(-c3ccccc3)ccc2O)C[C@@H]1O ZINC000770381258 627616001 /nfs/dbraw/zinc/61/60/01/627616001.db2.gz ORGSIGGZKGJXDE-LIRRHRJNSA-N 1 0 297.398 3.262 20 10 CGCDRO CCOc1ccc(C[NH2+][C@@H](C)c2cnccc2C)c(O)c1 ZINC000770744707 627641864 /nfs/dbraw/zinc/64/18/64/627641864.db2.gz BFLNFDIJZFERHK-ZDUSSCGKSA-N 1 0 286.375 3.345 20 10 CGCDRO CCN(CC)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000772597862 627805835 /nfs/dbraw/zinc/80/58/35/627805835.db2.gz CRPVBKSBVBLELC-HUUCEWRRSA-N 1 0 276.424 3.142 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@H]2CSc3ccccc32)c1 ZINC000772983780 627837558 /nfs/dbraw/zinc/83/75/58/627837558.db2.gz LWJHARKIHHPXDB-AWEZNQCLSA-N 1 0 287.384 3.337 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H](COC)C2)cc1 ZINC000773756368 627911250 /nfs/dbraw/zinc/91/12/50/627911250.db2.gz KNNDEZVSAAFQDW-MRXNPFEDSA-N 1 0 276.424 3.001 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)cc1 ZINC000773766749 627913879 /nfs/dbraw/zinc/91/38/79/627913879.db2.gz VFLSMDYGVCQCTD-AEFFLSMTSA-N 1 0 288.435 3.144 20 10 CGCDRO CCN(C)c1ccc(C[N@H+](C)C[C@@H]2CCCC[C@@H]2O)cc1 ZINC000773832090 627917625 /nfs/dbraw/zinc/91/76/25/627917625.db2.gz MSNIZZFWFNDESO-WMZOPIPTSA-N 1 0 290.451 3.126 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@]2(C)CCCO)cc1 ZINC000773825103 627917787 /nfs/dbraw/zinc/91/77/87/627917787.db2.gz WOJKJAGMQHITHH-GOSISDBHSA-N 1 0 290.451 3.270 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCSC[C@H](C)C2)cc1 ZINC000773888692 627924923 /nfs/dbraw/zinc/92/49/23/627924923.db2.gz MATBBEDDGRPGAV-CQSZACIVSA-N 1 0 278.465 3.328 20 10 CGCDRO CCC[C@]1(CO)CCC[N@@H+]1Cc1ccc(N(C)CC)cc1 ZINC000773894296 627925987 /nfs/dbraw/zinc/92/59/87/627925987.db2.gz IZILXQBWRUFEDR-GOSISDBHSA-N 1 0 290.451 3.270 20 10 CGCDRO C[C@H]([NH2+]Cc1[nH]nc2ccccc21)c1ccc(N(C)C)cc1 ZINC000775365075 628086516 /nfs/dbraw/zinc/08/65/16/628086516.db2.gz SDCGQXXKOJKJAR-ZDUSSCGKSA-N 1 0 294.402 3.480 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)cc1C)c1nccn1C ZINC000775393466 628089112 /nfs/dbraw/zinc/08/91/12/628089112.db2.gz MEOWCSGEQRSEDC-INIZCTEOSA-N 1 0 286.423 3.035 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)C[C@H]1CCOC1)c1ccccc1O ZINC000775514453 628103208 /nfs/dbraw/zinc/10/32/08/628103208.db2.gz WLZRVUVJPHPHPV-GUTXKFCHSA-N 1 0 263.381 3.248 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](C)Cn1cccn1)c1cc(Cl)ccc1O ZINC000775519125 628103528 /nfs/dbraw/zinc/10/35/28/628103528.db2.gz IRGNPPBKSSRSDK-SMDDNHRTSA-N 1 0 293.798 3.372 20 10 CGCDRO CC[C@@H]([NH2+]C1(COC)CC1)c1cc(Cl)ccc1O ZINC000775540089 628104962 /nfs/dbraw/zinc/10/49/62/628104962.db2.gz IFOHGWIDCYIEOZ-GFCCVEGCSA-N 1 0 269.772 3.265 20 10 CGCDRO COCC[N@@H+](Cc1cc(Cl)cc(C)c1O)CC(C)C ZINC000775656648 628120976 /nfs/dbraw/zinc/12/09/76/628120976.db2.gz LRHRXTYMPYPDAU-UHFFFAOYSA-N 1 0 285.815 3.458 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+](C)[C@H]2CCN(C3CC3)C2)c1O ZINC000775680314 628124608 /nfs/dbraw/zinc/12/46/08/628124608.db2.gz AJRDMPLNTNZXDQ-HNNXBMFYSA-N 1 0 294.826 3.023 20 10 CGCDRO CCCN(CCC)c1ccc(C[NH2+][C@@H]2CCN(C)C2)cc1 ZINC000776173914 628175780 /nfs/dbraw/zinc/17/57/80/628175780.db2.gz PGXONVWJLXFCJL-QGZVFWFLSA-N 1 0 289.467 3.107 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCO[C@@H](C3CC3)C2)cc1C(C)C ZINC000776773750 628230950 /nfs/dbraw/zinc/23/09/50/628230950.db2.gz VSVQADZQSCGRTH-GOSISDBHSA-N 1 0 289.419 3.435 20 10 CGCDRO CC1(C)[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)C[C@@H]1O ZINC000778193107 628333045 /nfs/dbraw/zinc/33/30/45/628333045.db2.gz PWOJWWDOWMZSSE-MSOLQXFVSA-N 1 0 297.398 3.308 20 10 CGCDRO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CC=CCC2)c1 ZINC000778577764 628358900 /nfs/dbraw/zinc/35/89/00/628358900.db2.gz VTTNFWKTDOKKIC-UHFFFAOYSA-N 1 0 261.365 3.157 20 10 CGCDRO CC(C)[C@@H]1C[C@H](C[NH2+]Cc2ccc(N(C)C)cc2)CCO1 ZINC000778626284 628361933 /nfs/dbraw/zinc/36/19/33/628361933.db2.gz DJWJRMTZIRHFLW-AEFFLSMTSA-N 1 0 290.451 3.293 20 10 CGCDRO CC[C@H]([NH2+]CC1(CCO)CC1)c1cc(Cl)ccc1O ZINC000779086409 628387783 /nfs/dbraw/zinc/38/77/83/628387783.db2.gz VSEFRNXJNHEEGJ-ZDUSSCGKSA-N 1 0 283.799 3.249 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000779188663 628393297 /nfs/dbraw/zinc/39/32/97/628393297.db2.gz WPHMVABUTCMNFH-OAHLLOKOSA-N 1 0 295.810 3.437 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CC[C@]2(CC[C@H](C)C2)C1 ZINC000781930413 628605994 /nfs/dbraw/zinc/60/59/94/628605994.db2.gz WSERUMOJDXJCHE-GUYCJALGSA-N 1 0 275.392 3.413 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC=CO2)c2c1c(F)ccc2O ZINC000783310646 628702623 /nfs/dbraw/zinc/70/26/23/628702623.db2.gz QVNYKBFSFYHKAC-NQBHXWOUSA-N 1 0 277.339 3.362 20 10 CGCDRO CC[N@H+](CC[C@@H]1CCOC1)Cc1ccc(N(C)C)cc1 ZINC000783506526 628719307 /nfs/dbraw/zinc/71/93/07/628719307.db2.gz LKULOZKKVXHUQS-MRXNPFEDSA-N 1 0 276.424 3.001 20 10 CGCDRO COC[C@@H](Cc1ccccc1)[NH2+][C@H](C)c1ccccc1O ZINC000783515839 628720224 /nfs/dbraw/zinc/72/02/24/628720224.db2.gz CGOCGUDPGWGQLG-GDBMZVCRSA-N 1 0 285.387 3.301 20 10 CGCDRO COc1ccc(C[NH2+][C@H](C)c2ccccc2O)c(F)c1 ZINC000783516078 628720245 /nfs/dbraw/zinc/72/02/45/628720245.db2.gz AUKFCVZXADTSTG-LLVKDONJSA-N 1 0 275.323 3.391 20 10 CGCDRO C[C@@H](C[NH2+][C@@H](C)c1ccccc1O)c1ccncc1 ZINC000783521400 628720590 /nfs/dbraw/zinc/72/05/90/628720590.db2.gz WYEYSAXZRFHIEU-STQMWFEESA-N 1 0 256.349 3.242 20 10 CGCDRO CC[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cccc(Cl)c1[O-] ZINC000806150072 628930819 /nfs/dbraw/zinc/93/08/19/628930819.db2.gz KSDPAXKJVFRYRN-HNNXBMFYSA-N 1 0 294.826 3.348 20 10 CGCDRO COc1ccc(C[NH2+]CC[C@@H](OC)C(F)(F)F)cc1C ZINC000786823056 628965037 /nfs/dbraw/zinc/96/50/37/628965037.db2.gz FUCFTLGSVODOEK-CYBMUJFWSA-N 1 0 291.313 3.061 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2cc[nH]c(=O)c2)cc1 ZINC000788546913 629064404 /nfs/dbraw/zinc/06/44/04/629064404.db2.gz MYYGPQSUXPWMIC-AWEZNQCLSA-N 1 0 299.418 3.484 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCOc2cccnc2)c(O)c1 ZINC000788604292 629068398 /nfs/dbraw/zinc/06/83/98/629068398.db2.gz HXGZCJGVFKNLMY-CQSZACIVSA-N 1 0 286.375 3.134 20 10 CGCDRO CS[C@H](C)C[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000788668315 629071618 /nfs/dbraw/zinc/07/16/18/629071618.db2.gz AIWHHADNJWFDIX-VXGBXAGGSA-N 1 0 253.411 3.411 20 10 CGCDRO COCC[N@H+](Cc1c(O)cccc1OC)[C@H]1CC[C@H](C)C1 ZINC000792192996 629346615 /nfs/dbraw/zinc/34/66/15/629346615.db2.gz PHKLYEQMGJBQIM-KBPBESRZSA-N 1 0 293.407 3.038 20 10 CGCDRO COCC[N@H+](Cc1ccc(N(C)C)cc1)[C@@H]1CC[C@@H](C)C1 ZINC000792192128 629347192 /nfs/dbraw/zinc/34/71/92/629347192.db2.gz DMHYNSICWAYVBD-CRAIPNDOSA-N 1 0 290.451 3.390 20 10 CGCDRO C[C@@H]1C[C@H](C)[N@H+]1Cc1c(O)cccc1Br ZINC000862351337 629347410 /nfs/dbraw/zinc/34/74/10/629347410.db2.gz NBYGCIFRJVBLBW-DTORHVGOSA-N 1 0 270.170 3.137 20 10 CGCDRO CC[C@H](C)[N@H+](CCO)Cc1ccc(N2CCCCC2)cc1 ZINC000862386745 629358530 /nfs/dbraw/zinc/35/85/30/629358530.db2.gz BHYNFYVQONBHPY-INIZCTEOSA-N 1 0 290.451 3.270 20 10 CGCDRO CN(C)c1cc(F)c(C[N@@H+]2CC[C@H]2C2CC2)cc1F ZINC000862385002 629358904 /nfs/dbraw/zinc/35/89/04/629358904.db2.gz NMMGQHVYFVLXHA-AWEZNQCLSA-N 1 0 266.335 3.015 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@]23C[C@@H]2COC3(C)C)cc1Cl ZINC000862468717 629384277 /nfs/dbraw/zinc/38/42/77/629384277.db2.gz MLUCKRAMYBUEBE-ABAIWWIYSA-N 1 0 281.783 3.011 20 10 CGCDRO COc1ccc(N2CC[NH+](CCCCCF)CC2)cc1F ZINC000792870665 629388750 /nfs/dbraw/zinc/38/87/50/629388750.db2.gz JFYWQCGXZGJOCU-UHFFFAOYSA-N 1 0 298.377 3.096 20 10 CGCDRO C/C=C\C[NH2+]Cc1cc(Br)cc(C)c1O ZINC000862531123 629392143 /nfs/dbraw/zinc/39/21/43/629392143.db2.gz XBEQXQMCHHAIBM-ARJAWSKDSA-N 1 0 270.170 3.129 20 10 CGCDRO CC(C)n1nccc1C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000793085331 629409882 /nfs/dbraw/zinc/40/98/82/629409882.db2.gz OKKRPXXLHUZOPM-AWEZNQCLSA-N 1 0 286.423 3.381 20 10 CGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@@H](C)[C@H]1CCCOC1 ZINC000793192758 629426743 /nfs/dbraw/zinc/42/67/43/629426743.db2.gz RSZJXMDXZXWYNG-HOCLYGCPSA-N 1 0 276.424 3.177 20 10 CGCDRO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1cc(F)ccc1O ZINC000793231034 629433389 /nfs/dbraw/zinc/43/33/89/629433389.db2.gz JMPKZKMJGYSETK-GZMMTYOYSA-N 1 0 277.261 3.304 20 10 CGCDRO COc1ccc(C[NH2+]C/C=C/c2ccccc2OC)c(O)c1 ZINC000793386728 629452553 /nfs/dbraw/zinc/45/25/53/629452553.db2.gz YFYXOIOLJZALGH-FNORWQNLSA-N 1 0 299.370 3.212 20 10 CGCDRO COc1ccc(C[NH2+]Cc2cccc(C)c2C)c(O)c1 ZINC000793388750 629452833 /nfs/dbraw/zinc/45/28/33/629452833.db2.gz IOHPCIKUPVIJPR-UHFFFAOYSA-N 1 0 271.360 3.307 20 10 CGCDRO COc1ccc(C[NH2+]Cc2sccc2Cl)c(O)c1 ZINC000793388494 629452985 /nfs/dbraw/zinc/45/29/85/629452985.db2.gz PEWQECZKOVNEKY-UHFFFAOYSA-N 1 0 283.780 3.406 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCc2ccc3c[nH]nc3c2)c1 ZINC000793569965 629485509 /nfs/dbraw/zinc/48/55/09/629485509.db2.gz OJAGNMFYPRYGEZ-CYBMUJFWSA-N 1 0 295.386 3.470 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCN(CC2CC2)C1)c1ccc(C)cc1O ZINC000794803638 629579334 /nfs/dbraw/zinc/57/93/34/629579334.db2.gz CDXPYMJHYGXSFJ-WBVHZDCISA-N 1 0 288.435 3.226 20 10 CGCDRO CC[C@@H]([NH2+]CCN1CCC[C@H]1C)c1ccc(C)cc1O ZINC000794804925 629579396 /nfs/dbraw/zinc/57/93/96/629579396.db2.gz WHLJLXVRBCUMGU-GDBMZVCRSA-N 1 0 276.424 3.226 20 10 CGCDRO C[C@@H](N[C@H]1CC[C@@H](C)[NH2+]C1)c1cc2c(cc1O)CCCC2 ZINC000863546682 629603623 /nfs/dbraw/zinc/60/36/23/629603623.db2.gz MVRVIHNMCHEBDS-IOASZLSFSA-N 1 0 288.435 3.062 20 10 CGCDRO COc1cccc(CNc2cc[nH+]c3c(O)cccc23)c1O ZINC000795087228 629630877 /nfs/dbraw/zinc/63/08/77/629630877.db2.gz YOZHISNUFCZRHV-UHFFFAOYSA-N 1 0 296.326 3.267 20 10 CGCDRO c1c(C[NH2+]Cc2ccc3c(c2)CCO3)[nH]c2ccccc12 ZINC000119725730 629706526 /nfs/dbraw/zinc/70/65/26/629706526.db2.gz YASVOWSHTUHPBT-UHFFFAOYSA-N 1 0 278.355 3.393 20 10 CGCDRO Cc1noc([C@@H]2CCC[N@@H+]2Cc2cc(C)cc(C)c2O)n1 ZINC000795749529 629713594 /nfs/dbraw/zinc/71/35/94/629713594.db2.gz JENXQLNLMJFGSQ-AWEZNQCLSA-N 1 0 287.363 3.038 20 10 CGCDRO CCOc1ccc(O)c(C[N@H+]2CC(C)=C[C@H](C)C2)c1 ZINC000797604800 629970294 /nfs/dbraw/zinc/97/02/94/629970294.db2.gz ITGRRRDICWWXOH-LBPRGKRZSA-N 1 0 261.365 3.189 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H](CO)CC1CCCC1)c1cc(F)ccc1O ZINC000798938557 630127403 /nfs/dbraw/zinc/12/74/03/630127403.db2.gz YVUWXVABCQWELQ-OCCSQVGLSA-N 1 0 295.398 3.371 20 10 CGCDRO C[C@@H]([NH2+]Cc1cn(C2CC2)cn1)c1ccc(N(C)C)cc1 ZINC000865532239 630172202 /nfs/dbraw/zinc/17/22/02/630172202.db2.gz VQXQMNJIHGKBPD-CYBMUJFWSA-N 1 0 284.407 3.135 20 10 CGCDRO COc1ccc(C[NH2+]C2CCC(C(F)F)CC2)c(O)c1 ZINC000799735434 630228122 /nfs/dbraw/zinc/22/81/22/630228122.db2.gz SWHKWUCMAJAGBZ-UHFFFAOYSA-N 1 0 285.334 3.314 20 10 CGCDRO CC(C)OC[C@H](C)[NH2+]CCCSc1nccs1 ZINC000800240885 630255327 /nfs/dbraw/zinc/25/53/27/630255327.db2.gz WDWQPMBIYYGEIR-NSHDSACASA-N 1 0 274.455 3.028 20 10 CGCDRO CCOC[C@H](C)[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808716480 630300522 /nfs/dbraw/zinc/30/05/22/630300522.db2.gz XMFKVGZBVQUZRS-QWRGUYRKSA-N 1 0 271.788 3.430 20 10 CGCDRO COc1cccc(C[NH2+]CCC2C[C@H](C)O[C@@H](C)C2)c1O ZINC000801731758 630353363 /nfs/dbraw/zinc/35/33/63/630353363.db2.gz DDOQMLZGPGDWJX-STQMWFEESA-N 1 0 293.407 3.084 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2C[C@H](C)O[C@H]2C)c(Cl)c1 ZINC000865689614 630360584 /nfs/dbraw/zinc/36/05/84/630360584.db2.gz KVZIEIBZCKSHEM-OUJBWJOFSA-N 1 0 269.772 3.010 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](OC(F)F)C2)c1O ZINC000802658492 630403686 /nfs/dbraw/zinc/40/36/86/630403686.db2.gz FNLMQCLCJUCGAX-NSHDSACASA-N 1 0 291.725 3.168 20 10 CGCDRO COc1ccc2c(c1)OCC[N@@H+](Cc1cc(C)ccc1O)C2 ZINC000802659674 630403940 /nfs/dbraw/zinc/40/39/40/630403940.db2.gz RKEZMTPAFPVYQV-UHFFFAOYSA-N 1 0 299.370 3.104 20 10 CGCDRO CC(C)[C@@H](CO)C[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000806169790 630553138 /nfs/dbraw/zinc/55/31/38/630553138.db2.gz QUHPFHYFAPHRLG-CZUORRHYSA-N 1 0 291.435 3.186 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCCO[C@H](C(C)C)C2)c1 ZINC000840095348 630590873 /nfs/dbraw/zinc/59/08/73/630590873.db2.gz LISKAEURNVFEED-INIZCTEOSA-N 1 0 277.408 3.256 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1 ZINC000840118343 630599773 /nfs/dbraw/zinc/59/97/73/630599773.db2.gz DEZGKOUOOLPEJF-BBWFWOEESA-N 1 0 289.419 3.134 20 10 CGCDRO CS[C@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000865734342 630606445 /nfs/dbraw/zinc/60/64/45/630606445.db2.gz UCNZISWYQYKCBU-XYPYZODXSA-N 1 0 257.786 3.029 20 10 CGCDRO CCOC1CC([N@H+](C)Cc2cc(C)c(C)cc2O)C1 ZINC000808214005 630630595 /nfs/dbraw/zinc/63/05/95/630630595.db2.gz WLIAHXXCYYRKPR-UHFFFAOYSA-N 1 0 263.381 3.008 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@H](C3CC3)C2)c1O ZINC000808230563 630631374 /nfs/dbraw/zinc/63/13/74/630631374.db2.gz KZFAURIGKKTBAB-AWEZNQCLSA-N 1 0 275.392 3.331 20 10 CGCDRO CCOc1cccc(C[NH2+]CCCC(C)(C)COC)c1O ZINC000808428650 630643884 /nfs/dbraw/zinc/64/38/84/630643884.db2.gz KERCAJWUNVFOCE-UHFFFAOYSA-N 1 0 295.423 3.333 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]C[C@H]1COc2ccccc21 ZINC000808451376 630646097 /nfs/dbraw/zinc/64/60/97/630646097.db2.gz MXZXGSPJFFWWQH-LBPRGKRZSA-N 1 0 289.762 3.311 20 10 CGCDRO COCC[C@@H](C)[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808689017 630664499 /nfs/dbraw/zinc/66/44/99/630664499.db2.gz XDGLRRMOQQFRLK-MNOVXSKESA-N 1 0 271.788 3.430 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](O)CC(C)C)c1O ZINC000808687880 630664654 /nfs/dbraw/zinc/66/46/54/630664654.db2.gz VSXKIJKHASAEEI-DGCLKSJQSA-N 1 0 285.815 3.412 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](C)C(C)(C)O)c1O ZINC000808710166 630668377 /nfs/dbraw/zinc/66/83/77/630668377.db2.gz ZDQBZYSBMSXTOS-NXEZZACHSA-N 1 0 271.788 3.164 20 10 CGCDRO COc1ccc(C[NH2+]C[C@H](C)CC(C)C)c(O)c1 ZINC000809658344 630777592 /nfs/dbraw/zinc/77/75/92/630777592.db2.gz LODFNZQCYPHAJF-GFCCVEGCSA-N 1 0 251.370 3.173 20 10 CGCDRO COc1cccc(O)c1C[NH+]1CCC(c2cccnc2)CC1 ZINC000809737088 630794611 /nfs/dbraw/zinc/79/46/11/630794611.db2.gz CWULQAFVWHKEGR-UHFFFAOYSA-N 1 0 298.386 3.175 20 10 CGCDRO COc1cccc(C[NH2+][C@H]2CC[C@@H]2C2CCC2)c1O ZINC000809740427 630796448 /nfs/dbraw/zinc/79/64/48/630796448.db2.gz YNGIJFFUWMUMKH-KGLIPLIRSA-N 1 0 261.365 3.069 20 10 CGCDRO COc1cccc(C[NH2+]C/C=C\c2ccc(F)cc2)c1O ZINC000809739953 630796469 /nfs/dbraw/zinc/79/64/69/630796469.db2.gz IAONIDJSUJLKCH-ARJAWSKDSA-N 1 0 287.334 3.343 20 10 CGCDRO COc1cccc(O)c1C[N@H+](C)C1CCC(F)(F)CC1 ZINC000809781783 630806641 /nfs/dbraw/zinc/80/66/41/630806641.db2.gz ALPKTQRSVJIWAW-UHFFFAOYSA-N 1 0 285.334 3.411 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](C3CCC3)C2)cc1OC ZINC000840189937 630820174 /nfs/dbraw/zinc/82/01/74/630820174.db2.gz UGLALWFPFHCMEN-CYBMUJFWSA-N 1 0 291.391 3.031 20 10 CGCDRO COc1cc(C[N@@H+]2CC[C@@H](C3CCC3)C2)c(O)cc1C ZINC000840190240 630826987 /nfs/dbraw/zinc/82/69/87/630826987.db2.gz UILIEMIOWZLZGA-CQSZACIVSA-N 1 0 275.392 3.331 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](C)OC)c1ccc(C(F)(F)F)cc1O ZINC000810237219 630857848 /nfs/dbraw/zinc/85/78/48/630857848.db2.gz ABTGFJMTCPKKHS-SKDRFNHKSA-N 1 0 291.313 3.487 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CC(C)(C)[C@H]2C2CC2)c(O)c1 ZINC000811513845 631081699 /nfs/dbraw/zinc/08/16/99/631081699.db2.gz SGRUWAUVGAIOCD-MRXNPFEDSA-N 1 0 275.392 3.411 20 10 CGCDRO COc1ccc(O)c(C[NH+]2CCC(C)(C3CC3)CC2)c1 ZINC000811514464 631082086 /nfs/dbraw/zinc/08/20/86/631082086.db2.gz LGGYFGRBDSUKEA-UHFFFAOYSA-N 1 0 275.392 3.413 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc2cnn(C)c2c1)c1ccccc1O ZINC000812734109 631298747 /nfs/dbraw/zinc/29/87/47/631298747.db2.gz FCJJNJDYGIAXBP-LBPRGKRZSA-N 1 0 281.359 3.130 20 10 CGCDRO COc1ccc(O)c(C[NH+]2CC(c3ccccc3F)C2)c1 ZINC000812789964 631309648 /nfs/dbraw/zinc/30/96/48/631309648.db2.gz FRXMUHFKGBGSAW-UHFFFAOYSA-N 1 0 287.334 3.139 20 10 CGCDRO Cc1cc(C[N@H+](C)Cc2ccoc2)ccc1N(C)C ZINC000815022240 631704578 /nfs/dbraw/zinc/70/45/78/631704578.db2.gz VMHYNDPKFWGEIS-UHFFFAOYSA-N 1 0 258.365 3.286 20 10 CGCDRO Cc1cc(C[N@H+]2C[C@H](C)OC(C)(C)C2)ccc1N(C)C ZINC000815023825 631705411 /nfs/dbraw/zinc/70/54/11/631705411.db2.gz JRLHZOZXXWHANA-AWEZNQCLSA-N 1 0 276.424 3.060 20 10 CGCDRO CCC[N@H+](Cc1ccc(N(C)C)c(C)c1)CC(C)(C)O ZINC000815037354 631705906 /nfs/dbraw/zinc/70/59/06/631705906.db2.gz IXJXVRWOJOTQCW-UHFFFAOYSA-N 1 0 278.440 3.044 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2C[C@H](C)O[C@@H](C3CC3)C2)cc1 ZINC000815102642 631717321 /nfs/dbraw/zinc/71/73/21/631717321.db2.gz LDLHZHOHEDMIPK-KBXCAEBGSA-N 1 0 288.435 3.142 20 10 CGCDRO Cc1cc(C[N@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)ccc1N(C)C ZINC000815102211 631717513 /nfs/dbraw/zinc/71/75/13/631717513.db2.gz HEPMETZQIIASQG-RDTXWAMCSA-N 1 0 288.435 3.060 20 10 CGCDRO Cc1cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)ccc1N(C)C ZINC000815113406 631719812 /nfs/dbraw/zinc/71/98/12/631719812.db2.gz ALHKFBZJAXQUHV-MSOLQXFVSA-N 1 0 288.435 3.204 20 10 CGCDRO Cc1cc(C[N@@H+]2CCCCC[C@H]2CCO)ccc1N(C)C ZINC000815114374 631719960 /nfs/dbraw/zinc/71/99/60/631719960.db2.gz PTMYXJOVKGPUTQ-KRWDZBQOSA-N 1 0 290.451 3.188 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2cscn2)c(O)c1 ZINC000815571779 631796341 /nfs/dbraw/zinc/79/63/41/631796341.db2.gz LZTWMVWYEIKNKQ-LLVKDONJSA-N 1 0 262.378 3.316 20 10 CGCDRO CCC(CC)[C@@H](O)C[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000815578188 631799748 /nfs/dbraw/zinc/79/97/48/631799748.db2.gz JNFWGWBVHVQECB-CJNGLKHVSA-N 1 0 279.424 3.457 20 10 CGCDRO C[N@@H+](Cc1ccc2ccccc2c1O)C[C@H]1CCOC1 ZINC000816519047 632003390 /nfs/dbraw/zinc/00/33/90/632003390.db2.gz WNQJDUINJUTRLF-CYBMUJFWSA-N 1 0 271.360 3.014 20 10 CGCDRO CC(C)OCCC[NH2+]Cc1ccc2ccccc2c1O ZINC000816529026 632004550 /nfs/dbraw/zinc/00/45/50/632004550.db2.gz DDPREPCAGBSDJR-UHFFFAOYSA-N 1 0 273.376 3.450 20 10 CGCDRO CC[C@H](C)[C@@](C)(O)C[NH2+]Cc1ccc2ccccc2c1O ZINC000816549207 632008694 /nfs/dbraw/zinc/00/86/94/632008694.db2.gz HPQZIGFPIWOVNZ-UGSOOPFHSA-N 1 0 287.403 3.432 20 10 CGCDRO CN(C)c1cc[nH+]c(NCc2cc(Cl)c(F)cc2O)c1 ZINC000816567653 632014997 /nfs/dbraw/zinc/01/49/97/632014997.db2.gz IJVPZPNEYDRFNZ-UHFFFAOYSA-N 1 0 295.745 3.258 20 10 CGCDRO CN(C)C1(C[NH2+]Cc2ccc3ccccc3c2O)CCC1 ZINC000816586310 632017942 /nfs/dbraw/zinc/01/79/42/632017942.db2.gz FKAPJLONNKWSHC-UHFFFAOYSA-N 1 0 284.403 3.119 20 10 CGCDRO Cc1cc(C[NH2+]Cc2ccc(N(C)C)cc2)cc(C)n1 ZINC000817411832 632142224 /nfs/dbraw/zinc/14/22/24/632142224.db2.gz WUTCTXMKVKQVRU-UHFFFAOYSA-N 1 0 269.392 3.054 20 10 CGCDRO CCOc1ccc(C[NH+]2C[C@H](CC)O[C@@H](CC)C2)c(O)c1 ZINC000817412044 632142716 /nfs/dbraw/zinc/14/27/16/632142716.db2.gz BRGFKMNLBXRLIP-GJZGRUSLSA-N 1 0 293.407 3.180 20 10 CGCDRO CC[C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(OC)c2O)CCO1 ZINC000817415277 632144574 /nfs/dbraw/zinc/14/45/74/632144574.db2.gz QDNJIQIWOBQPNB-OLZOCXBDSA-N 1 0 299.798 3.101 20 10 CGCDRO C[C@H]1C[C@H]([NH2+]CCCC2(O)CCC2)c2c1c(F)ccc2O ZINC000817585181 632190354 /nfs/dbraw/zinc/19/03/54/632190354.db2.gz CCCPONMRYAHCGS-AAEUAGOBSA-N 1 0 293.382 3.364 20 10 CGCDRO CC[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(C)cc2O)CCO1 ZINC000817586445 632191310 /nfs/dbraw/zinc/19/13/10/632191310.db2.gz OOXTUQXSUKLLFO-MELADBBJSA-N 1 0 263.381 3.309 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCCC2(O)CCC2)c(O)c1C ZINC000817587163 632192757 /nfs/dbraw/zinc/19/27/57/632192757.db2.gz VKFKVAUXJJUNTC-AWEZNQCLSA-N 1 0 277.408 3.355 20 10 CGCDRO C[C@@H]([NH2+]CCCC1(O)CCC1)c1cc(Cl)ccc1O ZINC000817587597 632193198 /nfs/dbraw/zinc/19/31/98/632193198.db2.gz ZGXZFBSCPALDLF-LLVKDONJSA-N 1 0 283.799 3.391 20 10 CGCDRO CN(C)c1ccc([C@@H](N)C[NH2+][C@H]2CCCC(C)(C)C2)cc1 ZINC000817939207 632238768 /nfs/dbraw/zinc/23/87/68/632238768.db2.gz AKNKSRYZQFWWJT-RDJZCZTQSA-N 1 0 289.467 3.311 20 10 CGCDRO CN(C)c1ccc([C@@H](N)C[NH2+][C@@H]2CCCC(C)(C)C2)cc1 ZINC000817939209 632239092 /nfs/dbraw/zinc/23/90/92/632239092.db2.gz AKNKSRYZQFWWJT-WBVHZDCISA-N 1 0 289.467 3.311 20 10 CGCDRO Cc1ccccc1[C@H](C)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000817938291 632239708 /nfs/dbraw/zinc/23/97/08/632239708.db2.gz IIMNJBXDQSZODJ-KXBFYZLASA-N 1 0 297.446 3.412 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)C1CCCC1 ZINC000817940682 632240380 /nfs/dbraw/zinc/24/03/80/632240380.db2.gz GSCBXJWQNTUWKT-QZTJIDSGSA-N 1 0 289.467 3.311 20 10 CGCDRO CCC[C@@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)C1CCC1 ZINC000817942588 632241677 /nfs/dbraw/zinc/24/16/77/632241677.db2.gz PQVVOEGNYRGQSP-ZWKOTPCHSA-N 1 0 289.467 3.311 20 10 CGCDRO C[C@@H](NC[C@@H]1CCCC[NH2+]1)c1cc2c(cc1O)CCCC2 ZINC000817949896 632246705 /nfs/dbraw/zinc/24/67/05/632246705.db2.gz OUWNPXKGBLDDKS-CJNGLKHVSA-N 1 0 288.435 3.064 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](N)c2ccccc2)c1 ZINC000817955576 632250066 /nfs/dbraw/zinc/25/00/66/632250066.db2.gz ZGLHKDWZGHHOGE-BBRMVZONSA-N 1 0 270.376 3.051 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](N)c2ccccc2)c1 ZINC000817955579 632250638 /nfs/dbraw/zinc/25/06/38/632250638.db2.gz ZGLHKDWZGHHOGE-XJKSGUPXSA-N 1 0 270.376 3.051 20 10 CGCDRO C[C@H]1Cc2ccccc2[C@@H]1[NH2+]CCc1ccc(N)cc1 ZINC000817955853 632251113 /nfs/dbraw/zinc/25/11/13/632251113.db2.gz JHDKVHAMEUVZKU-SCLBCKFNSA-N 1 0 266.388 3.334 20 10 CGCDRO CCc1nc(C)c([C@H](C)[NH2+]CCc2ccc(N)cc2)s1 ZINC000817956221 632251294 /nfs/dbraw/zinc/25/12/94/632251294.db2.gz UGURIIJDMNTSEP-NSHDSACASA-N 1 0 289.448 3.489 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H](CN)CC(C)C)c(O)c1C ZINC000817958972 632255194 /nfs/dbraw/zinc/25/51/94/632255194.db2.gz NVOPHVCXGIIONT-KGLIPLIRSA-N 1 0 264.413 3.033 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H]([NH3+])C(C)C)c1cccc(Cl)c1[O-] ZINC000817959793 632255324 /nfs/dbraw/zinc/25/53/24/632255324.db2.gz VCANBWMHRWJHNU-QWHCGFSZSA-N 1 0 270.804 3.070 20 10 CGCDRO C[C@H]([NH2+]CC(C)(C)[NH3+])c1cc(Cl)c(Cl)cc1[O-] ZINC000817960524 632256583 /nfs/dbraw/zinc/25/65/83/632256583.db2.gz MLNIOZWFAXUNSP-ZETCQYMHSA-N 1 0 277.195 3.087 20 10 CGCDRO CC[C@H]([NH2+]C[C@H](C)C[NH3+])c1ccc(Cl)c(Cl)c1[O-] ZINC000817963620 632258486 /nfs/dbraw/zinc/25/84/86/632258486.db2.gz WNCMJRVMUNUTQS-KCJUWKMLSA-N 1 0 291.222 3.335 20 10 CGCDRO C[C@H]([NH3+])c1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])cc1 ZINC000817963521 632259301 /nfs/dbraw/zinc/25/93/01/632259301.db2.gz TWQIZQRAXTYSOW-RYUDHWBXSA-N 1 0 288.366 3.402 20 10 CGCDRO CC[NH2+][C@H](C)CN[C@@H](CC)c1cc(Cl)ccc1O ZINC000817972960 632266744 /nfs/dbraw/zinc/26/67/44/632266744.db2.gz QOJXBEBYRRIISD-MFKMUULPSA-N 1 0 270.804 3.084 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H](CN)C2CCCC2)cc1 ZINC000817982470 632273105 /nfs/dbraw/zinc/27/31/05/632273105.db2.gz SSJZSOJYHUWEEV-KBXCAEBGSA-N 1 0 289.467 3.311 20 10 CGCDRO COc1ccc(C[NH2+]C[C@H](O)[C@@H](C)c2ccccc2)cc1C ZINC000818997571 632361565 /nfs/dbraw/zinc/36/15/65/632361565.db2.gz FZONBJTUCIOHSU-YJBOKZPZSA-N 1 0 299.414 3.258 20 10 CGCDRO CC(C)CC[C@@H](O)C[NH2+]CCCSc1nccs1 ZINC000819063333 632372916 /nfs/dbraw/zinc/37/29/16/632372916.db2.gz KSVOKHWOPCAABK-GFCCVEGCSA-N 1 0 288.482 3.012 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]C(C)(C)[C@@H]2CCCCO2)c1 ZINC000865746891 632876244 /nfs/dbraw/zinc/87/62/44/632876244.db2.gz QPBMCSQLUPOZHJ-HNNXBMFYSA-N 1 0 263.381 3.138 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000865754647 632879299 /nfs/dbraw/zinc/87/92/99/632879299.db2.gz YNMGDVQMTLCAPU-RKDXNWHRSA-N 1 0 265.662 3.086 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]CC[C@H](O)C1CCCC1 ZINC000865874777 632934628 /nfs/dbraw/zinc/93/46/28/632934628.db2.gz IOZBCLPGAOVONH-HNNXBMFYSA-N 1 0 283.799 3.076 20 10 CGCDRO C[C@@H](CCc1cccnc1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000866252832 633046494 /nfs/dbraw/zinc/04/64/94/633046494.db2.gz RAYYDNFTRVFCKR-AWEZNQCLSA-N 1 0 282.387 3.127 20 10 CGCDRO CCC[C@H](CCO)[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000866414780 633127379 /nfs/dbraw/zinc/12/73/79/633127379.db2.gz KLXFLWGAVSAMQG-UONOGXRCSA-N 1 0 265.397 3.211 20 10 CGCDRO C[C@H]([NH2+][C@H](C1CCC1)[C@H]1CCCO1)c1ccccc1O ZINC000866491756 633159805 /nfs/dbraw/zinc/15/98/05/633159805.db2.gz XZHUVAJLAJPWEG-JCURWCKSSA-N 1 0 275.392 3.391 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2nn(C)cc2C(F)F)c1 ZINC000866564972 633197416 /nfs/dbraw/zinc/19/74/16/633197416.db2.gz GOZILCVEDRXZJZ-SNVBAGLBSA-N 1 0 295.333 3.223 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](C)c2ccnn2C)cc1 ZINC000866613433 633213496 /nfs/dbraw/zinc/21/34/96/633213496.db2.gz SRQPMGCZMHRIMW-KGLIPLIRSA-N 1 0 286.423 3.288 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](C)c2ccnn2C)c1O ZINC000866616155 633215386 /nfs/dbraw/zinc/21/53/86/633215386.db2.gz ZJMJJYWNBDKKFN-MNOVXSKESA-N 1 0 293.798 3.499 20 10 CGCDRO F[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000824570692 633260804 /nfs/dbraw/zinc/26/08/04/633260804.db2.gz DSNCIOSBYMWMDE-OAHLLOKOSA-N 1 0 262.372 3.221 20 10 CGCDRO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc(N(CC)CC)cc1 ZINC000824636862 633266160 /nfs/dbraw/zinc/26/61/60/633266160.db2.gz UNWGFVYIQJSVCP-AEFFLSMTSA-N 1 0 290.451 3.126 20 10 CGCDRO C[C@H](CCCCO)[NH2+]Cc1ccc2ccccc2c1O ZINC000824654952 633270146 /nfs/dbraw/zinc/27/01/46/633270146.db2.gz SKSXJXNGNQKFMF-CYBMUJFWSA-N 1 0 273.376 3.186 20 10 CGCDRO COc1cc(O)c(C[NH2+]CC2CCCCCC2)cc1OC ZINC000824790370 633291426 /nfs/dbraw/zinc/29/14/26/633291426.db2.gz SRUNLULIIIWNDX-UHFFFAOYSA-N 1 0 293.407 3.469 20 10 CGCDRO CO[C@H]1CC[N@H+](Cc2cc(Cl)cc(C)c2O)C[C@@H]1C ZINC000824815360 633294177 /nfs/dbraw/zinc/29/41/77/633294177.db2.gz MPLARILMGAUTQO-FZMZJTMJSA-N 1 0 283.799 3.211 20 10 CGCDRO COc1ccc2c(c1)C[N@@H+](Cc1cccc(C)c1O)CCO2 ZINC000824908619 633304138 /nfs/dbraw/zinc/30/41/38/633304138.db2.gz AHKOOZLYBZOPGC-UHFFFAOYSA-N 1 0 299.370 3.104 20 10 CGCDRO CCOc1ccc(C[N@@H+]2C[C@H](C3CC3)[C@H]2C2CC2)c(O)c1 ZINC000824941149 633309229 /nfs/dbraw/zinc/30/92/29/633309229.db2.gz JSRPWJGGZBDIKI-SJLPKXTDSA-N 1 0 287.403 3.411 20 10 CGCDRO COc1cccc2c1C[N@H+](Cc1cccc(C)c1O)CC2 ZINC000824982441 633313544 /nfs/dbraw/zinc/31/35/44/633313544.db2.gz FRYOAZRHGBGPAS-UHFFFAOYSA-N 1 0 283.371 3.268 20 10 CGCDRO CCn1ccnc1[C@H](C)[NH2+]Cc1cc(Cl)ccc1O ZINC000825005706 633316250 /nfs/dbraw/zinc/31/62/50/633316250.db2.gz QDMGOIPFKQLDAE-JTQLQIEISA-N 1 0 279.771 3.113 20 10 CGCDRO COCC[N@H+](Cc1ccc(C)cc1O)C1CCCC1 ZINC000876601794 634865529 /nfs/dbraw/zinc/86/55/29/634865529.db2.gz XZCSCTGUNGLNHC-UHFFFAOYSA-N 1 0 263.381 3.092 20 10 CGCDRO CO[C@@H]([C@H](C)[NH2+]Cc1cc(Cl)cc(C)c1O)C1CC1 ZINC000825098402 633328803 /nfs/dbraw/zinc/32/88/03/633328803.db2.gz IGAKVPHWCHLEHD-BONVTDFDSA-N 1 0 283.799 3.257 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@]3(CCOC3)C2)cc1C ZINC000825134317 633331816 /nfs/dbraw/zinc/33/18/16/633331816.db2.gz YDXZFXJVHNXXPY-QGZVFWFLSA-N 1 0 275.392 3.012 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@]3(CCSC3)C2)cc1 ZINC000825215479 633336044 /nfs/dbraw/zinc/33/60/44/633336044.db2.gz PLCYUBXFVJKFES-QGZVFWFLSA-N 1 0 290.476 3.472 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CC(C)(C)C[C@@H](C)O)cc1Cl ZINC000825297291 633342679 /nfs/dbraw/zinc/34/26/79/633342679.db2.gz ABQZLNBHSCRUSR-LLVKDONJSA-N 1 0 285.815 3.241 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@H](O)c2ccsc2)cc1Cl ZINC000825291763 633342851 /nfs/dbraw/zinc/34/28/51/633342851.db2.gz PMKDRWCVDIMOBK-AWEZNQCLSA-N 1 0 297.807 3.239 20 10 CGCDRO c1csc(SCCC[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)n1 ZINC000825303458 633343149 /nfs/dbraw/zinc/34/31/49/633343149.db2.gz HVWKVXULOLMUJI-WOPDTQHZSA-N 1 0 268.451 3.404 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCOC(C)(C)C2)cc1Cl ZINC000825384598 633351000 /nfs/dbraw/zinc/35/10/00/633351000.db2.gz GBWYPQUSWVXMIH-LBPRGKRZSA-N 1 0 283.799 3.401 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCO[C@H](C)C2)cc1Cl ZINC000825406514 633353231 /nfs/dbraw/zinc/35/32/31/633353231.db2.gz UPQVHABOBHFTRN-VXGBXAGGSA-N 1 0 283.799 3.259 20 10 CGCDRO Cc1cc(O)c(C[N@H+](C)CCc2ccccn2)cc1Cl ZINC000825501140 633358553 /nfs/dbraw/zinc/35/85/53/633358553.db2.gz LJWDFOHHJZXTOG-UHFFFAOYSA-N 1 0 290.794 3.424 20 10 CGCDRO CCCN(c1ccc(C[NH3+])cc1)C1CC(CF)(CF)C1 ZINC000825710250 633376640 /nfs/dbraw/zinc/37/66/40/633376640.db2.gz JPYWTVZTRUYNQN-UHFFFAOYSA-N 1 0 282.378 3.450 20 10 CGCDRO Cc1cccc(CC[NH2+]Cc2cc(Cl)c(C)cc2O)n1 ZINC000825738866 633379358 /nfs/dbraw/zinc/37/93/58/633379358.db2.gz UZHCQFKOPIDMGO-UHFFFAOYSA-N 1 0 290.794 3.390 20 10 CGCDRO CO[C@@]1(C)CCC[N@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000825737672 633379564 /nfs/dbraw/zinc/37/95/64/633379564.db2.gz CZWKUWYPYNQGER-HNNXBMFYSA-N 1 0 283.799 3.355 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCC(C)(F)F)cc1Cl ZINC000826030141 633399670 /nfs/dbraw/zinc/39/96/70/633399670.db2.gz PNWZPQPZWOGROU-UHFFFAOYSA-N 1 0 263.715 3.489 20 10 CGCDRO Oc1cc(Br)ccc1C[N@@H+]1CC[C@@H]1C1CC1 ZINC000826043189 633400712 /nfs/dbraw/zinc/40/07/12/633400712.db2.gz FRERHKCQBCILKD-GFCCVEGCSA-N 1 0 282.181 3.139 20 10 CGCDRO CO[C@@H]([C@H](C)[NH2+]Cc1cc(Cl)c(C)cc1O)C1CC1 ZINC000826089361 633404452 /nfs/dbraw/zinc/40/44/52/633404452.db2.gz FRJOQWWOQGNRBI-BONVTDFDSA-N 1 0 283.799 3.257 20 10 CGCDRO COCC[C@H](C)C[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000826120690 633405257 /nfs/dbraw/zinc/40/52/57/633405257.db2.gz HQQLYWOGIMWVFJ-JTQLQIEISA-N 1 0 271.788 3.116 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H]2CS[C@H](C)C2)cc1Cl ZINC000826120273 633406263 /nfs/dbraw/zinc/40/62/63/633406263.db2.gz ARGLVNQWFSDIBB-MWLCHTKSSA-N 1 0 271.813 3.338 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H](C)COCC2CC2)cc1Cl ZINC000826140100 633407365 /nfs/dbraw/zinc/40/73/65/633407365.db2.gz YBSRWXKAIMUGTN-LLVKDONJSA-N 1 0 283.799 3.259 20 10 CGCDRO C[C@H](CSCCF)[NH2+]Cc1cc(Cl)ccc1O ZINC000826139502 633407902 /nfs/dbraw/zinc/40/79/02/633407902.db2.gz DNMJYMZJCFTUHW-SECBINFHSA-N 1 0 277.792 3.226 20 10 CGCDRO COc1cc(O)c(C[NH2+][C@@H]2CCc3ccccc32)cc1OC ZINC000827184481 633468583 /nfs/dbraw/zinc/46/85/83/633468583.db2.gz BGNFZASWBYZMMP-OAHLLOKOSA-N 1 0 299.370 3.187 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)c1cnc(C)nc1C ZINC000122700736 633492946 /nfs/dbraw/zinc/49/29/46/633492946.db2.gz IHRBLSUAKJJNIY-ZDUSSCGKSA-N 1 0 298.434 3.319 20 10 CGCDRO Oc1c(C[N@@H+]2CC[C@H]3C[C@H]3C2)ccc2ccccc21 ZINC000827506776 633495457 /nfs/dbraw/zinc/49/54/57/633495457.db2.gz LTLFNSPSDOTGLQ-ZFWWWQNUSA-N 1 0 253.345 3.387 20 10 CGCDRO Cc1cc(C[N@@H+](C)CC[C@H](C)O)ccc1N1CCCCC1 ZINC000827893827 633530941 /nfs/dbraw/zinc/53/09/41/633530941.db2.gz IVAYFRQUPZPGJQ-INIZCTEOSA-N 1 0 290.451 3.188 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+]2CCCc3n[nH]cc3C2)c1O ZINC000828013772 633547859 /nfs/dbraw/zinc/54/78/59/633547859.db2.gz KERFALJPLGWGRY-UHFFFAOYSA-N 1 0 291.782 3.026 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2Cc3c[nH]nc3CC(C)(C)C2)cc1C ZINC000828013843 633548398 /nfs/dbraw/zinc/54/83/98/633548398.db2.gz LYIMRICEVJGDDO-UHFFFAOYSA-N 1 0 299.418 3.317 20 10 CGCDRO Cc1cc(C[NH2+][C@H](CO)C(C)C)ccc1N1CCCCC1 ZINC000828761636 633649140 /nfs/dbraw/zinc/64/91/40/633649140.db2.gz KQDLDBRXGAYGTM-QGZVFWFLSA-N 1 0 290.451 3.092 20 10 CGCDRO C[C@@H](NC(=O)CC[C@@H]([NH3+])c1ccccc1)c1ccccc1O ZINC000870988066 633673302 /nfs/dbraw/zinc/67/33/02/633673302.db2.gz FMDNEJSGDHDJHG-CZUORRHYSA-N 1 0 298.386 3.050 20 10 CGCDRO Cc1cccc(C[NH2+][C@H](C)[C@](C)(O)c2ccccc2)c1O ZINC000846035458 636133606 /nfs/dbraw/zinc/13/36/06/636133606.db2.gz HWIOSMDKPICNFS-KDOFPFPSSA-N 1 0 285.387 3.086 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)[C@@H]1CCCOC1 ZINC000872027554 633947298 /nfs/dbraw/zinc/94/72/98/633947298.db2.gz FAPIAUINAIBVFB-ZBFHGGJFSA-N 1 0 294.414 3.187 20 10 CGCDRO CCCOc1ccc(C[NH2+]CC2CCOCC2)cc1C ZINC000873031041 634234117 /nfs/dbraw/zinc/23/41/17/634234117.db2.gz OAZWSXRGVCZXBV-UHFFFAOYSA-N 1 0 277.408 3.300 20 10 CGCDRO CCCOc1ccc(C[NH2+]CCC[C@H](O)CC)cc1C ZINC000873060437 634238277 /nfs/dbraw/zinc/23/82/77/634238277.db2.gz IDEKSTMJVSCDRH-MRXNPFEDSA-N 1 0 279.424 3.425 20 10 CGCDRO CC1(C)CCCN(CC[NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000834787685 634242351 /nfs/dbraw/zinc/24/23/51/634242351.db2.gz QZRMUDJMXGDGLH-OAHLLOKOSA-N 1 0 288.435 3.091 20 10 CGCDRO CN1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834787479 634242980 /nfs/dbraw/zinc/24/29/80/634242980.db2.gz MSIJBBCWGYEKSE-ZBFHGGJFSA-N 1 0 288.435 3.090 20 10 CGCDRO CCCOc1ccc(C[NH2+]C(C)(C)[C@H](C)O)cc1C ZINC000873096937 634245006 /nfs/dbraw/zinc/24/50/06/634245006.db2.gz BDSUSJAAEXBIEG-ZDUSSCGKSA-N 1 0 265.397 3.033 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@]2(C)CCOC2)cc1C ZINC000873098620 634246120 /nfs/dbraw/zinc/24/61/20/634246120.db2.gz SSCYHXUCUILENE-MRXNPFEDSA-N 1 0 263.381 3.052 20 10 CGCDRO CC[C@H]([NH2+]CC[C@@H](C)CCO)c1cc(Cl)ccc1O ZINC000834832207 634251444 /nfs/dbraw/zinc/25/14/44/634251444.db2.gz MTMIENNOBGGKKO-RISCZKNCSA-N 1 0 285.815 3.495 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@@H]2CO[C@H](C)C2)cc1C ZINC000873133977 634253579 /nfs/dbraw/zinc/25/35/79/634253579.db2.gz LZXGWWMNYQBZOD-HIFRSBDPSA-N 1 0 263.381 3.051 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCOC1(C)C)c1cc2c(cc1O)CCCC2 ZINC000834874079 634262520 /nfs/dbraw/zinc/26/25/20/634262520.db2.gz AWIMUIBKYAZVAU-YVEFUNNKSA-N 1 0 289.419 3.489 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@@H]1CCOC3(CCC3)C1)CC2 ZINC000834881796 634264141 /nfs/dbraw/zinc/26/41/41/634264141.db2.gz BGNVETDPCDFKKY-HIFRSBDPSA-N 1 0 287.403 3.318 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](C)Cc1cnn(C)c1)c1ccc(C)cc1O ZINC000834898080 634274085 /nfs/dbraw/zinc/27/40/85/634274085.db2.gz YUKFQNPXJBWPAQ-XJKSGUPXSA-N 1 0 287.407 3.106 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@H](O)c1ccccc1 ZINC000873193662 634278870 /nfs/dbraw/zinc/27/88/70/634278870.db2.gz NJPITOONURHELN-RTBURBONSA-N 1 0 298.430 3.354 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+][C@H]2COCC2(C)C)c2c1c(F)ccc2O ZINC000834904892 634281519 /nfs/dbraw/zinc/28/15/19/634281519.db2.gz PWAIPPFKHKTDCT-CDMKHQONSA-N 1 0 279.355 3.094 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2COCC2(C)C)c1O ZINC000834905803 634282545 /nfs/dbraw/zinc/28/25/45/634282545.db2.gz WNBGGYSZYIXIOS-GWCFXTLKSA-N 1 0 283.799 3.430 20 10 CGCDRO COc1cccnc1C[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000834907224 634283452 /nfs/dbraw/zinc/28/34/52/634283452.db2.gz YYQGDHOBBGIBMT-CYBMUJFWSA-N 1 0 286.375 3.263 20 10 CGCDRO COc1cccnc1C[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000834907182 634283509 /nfs/dbraw/zinc/28/35/09/634283509.db2.gz YANYURJNPLSOAE-CYBMUJFWSA-N 1 0 286.375 3.263 20 10 CGCDRO CCO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000834911220 634285067 /nfs/dbraw/zinc/28/50/67/634285067.db2.gz IJLPEGIEOIEPDG-JGGQBBKZSA-N 1 0 263.381 3.309 20 10 CGCDRO C[C@@H]1CC[C@H](C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)O1 ZINC000834915975 634286426 /nfs/dbraw/zinc/28/64/26/634286426.db2.gz VVHMMFXQZQWTNC-WGBDABJCSA-N 1 0 279.355 3.237 20 10 CGCDRO C[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1cc(F)cc(F)c1[O-] ZINC000873241861 634298327 /nfs/dbraw/zinc/29/83/27/634298327.db2.gz GUUWKADNPWJCRB-JQWIXIFHSA-N 1 0 298.377 3.099 20 10 CGCDRO C[C@H]1CSCC[N@@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC000835027762 634325587 /nfs/dbraw/zinc/32/55/87/634325587.db2.gz GTOKHHUFOOCBCQ-NNTXTVRGSA-N 1 0 276.449 3.203 20 10 CGCDRO CC[N@H+](C/C=C\c1ccc(N(C)C)cc1)C[C@@H]1CCOC1 ZINC000835026234 634325798 /nfs/dbraw/zinc/32/57/98/634325798.db2.gz SMAFOAWAQPZWKB-OSJSJHBBSA-N 1 0 288.435 3.124 20 10 CGCDRO CCOC1CC[NH+](C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000835026490 634326240 /nfs/dbraw/zinc/32/62/40/634326240.db2.gz YBQMYVZROXAQOJ-AATRIKPKSA-N 1 0 288.435 3.267 20 10 CGCDRO CSCCC[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835039162 634328499 /nfs/dbraw/zinc/32/84/99/634328499.db2.gz CACCHCVFVZTZPB-GQCTYLIASA-N 1 0 264.438 3.109 20 10 CGCDRO C[C@@H](C[NH2+]C/C=C\c1ccc(N(C)C)cc1)C1CC1 ZINC000835038065 634328510 /nfs/dbraw/zinc/32/85/10/634328510.db2.gz UFNYSTFEFCSSRD-WSNITJDQSA-N 1 0 258.409 3.402 20 10 CGCDRO CCC(CC)[C@@H](O)C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835041534 634329775 /nfs/dbraw/zinc/32/97/75/634329775.db2.gz YDHXWCUQXXXMGB-ZEVQVBBLSA-N 1 0 290.451 3.153 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H]2CCCSC2)cc1 ZINC000835042598 634330455 /nfs/dbraw/zinc/33/04/55/634330455.db2.gz KRETVPHYVWHUNB-UYWPIULCSA-N 1 0 276.449 3.251 20 10 CGCDRO CN(C)c1ccc(/C=C/C[N@H+](C)Cc2ccncc2)cc1 ZINC000835047285 634334256 /nfs/dbraw/zinc/33/42/56/634334256.db2.gz FSIJSBIQZLFRTH-SNAWJCMRSA-N 1 0 281.403 3.293 20 10 CGCDRO CCOC[C@H]([NH2+]C/C=C/c1ccc(N(C)C)cc1)C(C)C ZINC000835051189 634336730 /nfs/dbraw/zinc/33/67/30/634336730.db2.gz XCWKDDLSUFIRTD-DVBCCOPCSA-N 1 0 290.451 3.417 20 10 CGCDRO C[C@@H]1CSC[C@@H]1[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835054370 634338130 /nfs/dbraw/zinc/33/81/30/634338130.db2.gz UXYPQHCTAVSGGY-GNVQUDOXSA-N 1 0 276.449 3.107 20 10 CGCDRO CO[C@](C)(C[NH2+]C/C=C\c1ccc(N(C)C)cc1)C1CC1 ZINC000835055766 634339429 /nfs/dbraw/zinc/33/94/29/634339429.db2.gz OKACCJBLOUSXMC-OOFWQKGWSA-N 1 0 288.435 3.171 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCc3ccc(O)cc3CC2)c(O)c1 ZINC000876651945 634875208 /nfs/dbraw/zinc/87/52/08/634875208.db2.gz DDBATORPYWZGFT-UHFFFAOYSA-N 1 0 283.371 3.007 20 10 CGCDRO CC[N@H+](CCC(F)(F)F)Cc1c(C)cccc1O ZINC000876657409 634876906 /nfs/dbraw/zinc/87/69/06/634876906.db2.gz NBQAYZVHIVIJHG-UHFFFAOYSA-N 1 0 261.287 3.475 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCO[C@@H](c3ccsc3)C2)c(O)c1 ZINC000876778939 634898254 /nfs/dbraw/zinc/89/82/54/634898254.db2.gz SNQRILQFDAPHRM-MRXNPFEDSA-N 1 0 289.400 3.336 20 10 CGCDRO Cc1cccc(O)c1CNc1cccc(C[NH+](C)C)c1 ZINC000876822596 634907740 /nfs/dbraw/zinc/90/77/40/634907740.db2.gz CKUUHPBZRTUUGD-UHFFFAOYSA-N 1 0 270.376 3.374 20 10 CGCDRO Cc1ccc(C[NH2+]CCOc2ccccc2F)c(O)c1 ZINC000876881562 634920497 /nfs/dbraw/zinc/92/04/97/634920497.db2.gz JWYJEGLJOUWZHD-UHFFFAOYSA-N 1 0 275.323 3.008 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H]2CCOC3(CCCC3)C2)c(O)c1 ZINC000877087972 634980257 /nfs/dbraw/zinc/98/02/57/634980257.db2.gz YFABAWCOAAVBET-OAHLLOKOSA-N 1 0 275.392 3.282 20 10 CGCDRO Cc1cccc(O)c1C[NH2+][C@H](C)C[C@@H](O)c1cccs1 ZINC000877130544 634995187 /nfs/dbraw/zinc/99/51/87/634995187.db2.gz RSTJVUTUZBNMDQ-IUODEOHRSA-N 1 0 291.416 3.364 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H]2CC(C)(C)OC2(C)C)c(O)c1 ZINC000877164892 635004524 /nfs/dbraw/zinc/00/45/24/635004524.db2.gz FTLLPEPMAFKUFT-CQSZACIVSA-N 1 0 263.381 3.136 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccc(OC)nc2)cc1 ZINC000126380114 635006353 /nfs/dbraw/zinc/00/63/53/635006353.db2.gz BIWIMWXNRVKHAH-AWEZNQCLSA-N 1 0 299.418 3.397 20 10 CGCDRO COC1CCC(CC[NH2+]Cc2c(C)cccc2O)CC1 ZINC000877335607 635028013 /nfs/dbraw/zinc/02/80/13/635028013.db2.gz IEWKIUYXCCZSEJ-UHFFFAOYSA-N 1 0 277.408 3.386 20 10 CGCDRO Cc1cccc(O)c1C[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000877386368 635033259 /nfs/dbraw/zinc/03/32/59/635033259.db2.gz QJGYMEJFPKDQQJ-UHFFFAOYSA-N 1 0 297.398 3.184 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@H]1C[C@H]1C ZINC000840718083 635041247 /nfs/dbraw/zinc/04/12/47/635041247.db2.gz LGVIZOMMVPYHJD-JLSDUUJJSA-N 1 0 288.435 3.047 20 10 CGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@H]1CS[C@@H](C)C1 ZINC000877477360 635051346 /nfs/dbraw/zinc/05/13/46/635051346.db2.gz BLXXLHNVGWFGPI-SWLSCSKDSA-N 1 0 264.438 3.256 20 10 CGCDRO CCCN(Cc1cc(C)ns1)c1ccc(C[NH3+])cc1 ZINC000877477960 635052792 /nfs/dbraw/zinc/05/27/92/635052792.db2.gz JGTBZGXAFSSHNW-UHFFFAOYSA-N 1 0 275.421 3.327 20 10 CGCDRO CCn1ccc(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)n1 ZINC000840840502 635062083 /nfs/dbraw/zinc/06/20/83/635062083.db2.gz ILUQKLGFYKZHTF-LLVKDONJSA-N 1 0 293.798 3.421 20 10 CGCDRO CCn1ccc(C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)n1 ZINC000840841254 635062609 /nfs/dbraw/zinc/06/26/09/635062609.db2.gz YMHRIIFLVPAHJS-ZDUSSCGKSA-N 1 0 273.380 3.076 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCC23CCC3)c1 ZINC000877533505 635076313 /nfs/dbraw/zinc/07/63/13/635076313.db2.gz PKJMLAYNVKCVAZ-ABAIWWIYSA-N 1 0 261.365 3.384 20 10 CGCDRO COCCC[C@H](C)[NH2+][C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000840893956 635077002 /nfs/dbraw/zinc/07/70/02/635077002.db2.gz NSRLSZJOOGIXPR-HOTGVXAUSA-N 1 0 292.467 3.397 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCC(F)(F)[C@@H](C)C2)c(O)c1 ZINC000877538827 635078041 /nfs/dbraw/zinc/07/80/41/635078041.db2.gz HGGCCICQLKMVIX-NSHDSACASA-N 1 0 255.308 3.178 20 10 CGCDRO CO[C@H](C[NH2+]Cc1c(O)cc(C)cc1Cl)C(C)C ZINC000840901524 635079312 /nfs/dbraw/zinc/07/93/12/635079312.db2.gz KFYBJINXNZRILI-CQSZACIVSA-N 1 0 271.788 3.115 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCO[C@H](C)C2)c(Cl)c1 ZINC000840908748 635080569 /nfs/dbraw/zinc/08/05/69/635080569.db2.gz WKGANINXRAAMCO-VXGBXAGGSA-N 1 0 283.799 3.259 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000840919466 635083066 /nfs/dbraw/zinc/08/30/66/635083066.db2.gz GTMLNJBELJOWEI-FUHWJXTLSA-N 1 0 288.435 3.062 20 10 CGCDRO CS[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N(C)C)cc2C)C1 ZINC000840935001 635084743 /nfs/dbraw/zinc/08/47/43/635084743.db2.gz BEDSSPBCFBVNHY-GDBMZVCRSA-N 1 0 278.465 3.435 20 10 CGCDRO CCC(O)(CC)CC[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840942372 635087823 /nfs/dbraw/zinc/08/78/23/635087823.db2.gz ZZNCBGQBVQFKRV-UHFFFAOYSA-N 1 0 285.815 3.385 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@]1(C)CCCO ZINC000840949102 635090782 /nfs/dbraw/zinc/09/07/82/635090782.db2.gz QMZRETOXLSPVIO-GOSISDBHSA-N 1 0 290.451 3.188 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000840950892 635091362 /nfs/dbraw/zinc/09/13/62/635091362.db2.gz QFRPGYNRJQJHQD-SFHVURJKSA-N 1 0 288.435 3.064 20 10 CGCDRO C[NH+](C)Cc1ccc(NCc2ccccc2O)c(F)c1 ZINC000840957161 635093355 /nfs/dbraw/zinc/09/33/55/635093355.db2.gz GXCBQXWTARXPCX-UHFFFAOYSA-N 1 0 274.339 3.205 20 10 CGCDRO Cc1ccc(C[NH2+]C[C@@H]2CCO[C@H](C(C)C)C2)c(O)c1 ZINC000877566166 635094239 /nfs/dbraw/zinc/09/42/39/635094239.db2.gz VUFUSJVUYOHXCE-PBHICJAKSA-N 1 0 277.408 3.241 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CS[C@H](C)C2)c(Cl)c1 ZINC000840959437 635094316 /nfs/dbraw/zinc/09/43/16/635094316.db2.gz VMSGPVXXRPDPMO-ZJUUUORDSA-N 1 0 271.813 3.338 20 10 CGCDRO CC[C@H]([NH2+]C/C=C\c1ccc(N(C)C)cc1)[C@H](O)C(C)C ZINC000840968039 635095753 /nfs/dbraw/zinc/09/57/53/635095753.db2.gz NDSKBNGEBUNTOT-MZIIKBMYSA-N 1 0 290.451 3.151 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]C[C@H]1C[C@@H]1C ZINC000840975195 635098083 /nfs/dbraw/zinc/09/80/83/635098083.db2.gz DVKGCMJJFUHHMT-DUVNUKRYSA-N 1 0 260.425 3.238 20 10 CGCDRO COc1cccc(C[N@@H+]2CC[C@H](C3CCC3)C2)c1O ZINC000840979020 635098832 /nfs/dbraw/zinc/09/88/32/635098832.db2.gz UROIBVGMZVHPPC-ZDUSSCGKSA-N 1 0 261.365 3.023 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1cc[nH]c1 ZINC000840976678 635099183 /nfs/dbraw/zinc/09/91/83/635099183.db2.gz PUNVPNTXWQWJNJ-AWEZNQCLSA-N 1 0 271.408 3.110 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000877575488 635099565 /nfs/dbraw/zinc/09/95/65/635099565.db2.gz WHEBJKXTFSAHKF-MRXNPFEDSA-N 1 0 277.433 3.420 20 10 CGCDRO Cc1ccc(C[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)c(O)c1 ZINC000877585642 635102258 /nfs/dbraw/zinc/10/22/58/635102258.db2.gz KZYPPFQHXTVNGN-DLBZAZTESA-N 1 0 289.419 3.074 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+](C)C[C@@](C)(O)c1ccccc1 ZINC000877599040 635106891 /nfs/dbraw/zinc/10/68/91/635106891.db2.gz ORCCZCAFRFCIKU-GOSISDBHSA-N 1 0 285.387 3.040 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H](CCO)c2ccccc2F)c(O)c1 ZINC000877606469 635108800 /nfs/dbraw/zinc/10/88/00/635108800.db2.gz CCADCEFBLZBRTE-INIZCTEOSA-N 1 0 289.350 3.053 20 10 CGCDRO C[C@H](Cc1ccccc1F)[NH2+]CCc1ccc(N)cc1 ZINC000841038953 635112335 /nfs/dbraw/zinc/11/23/35/635112335.db2.gz VQTCUBMICOOEKH-CYBMUJFWSA-N 1 0 272.367 3.171 20 10 CGCDRO CCCCC[C@H](C)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000841046266 635114063 /nfs/dbraw/zinc/11/40/63/635114063.db2.gz YRTUSQQLUZKFIN-WMLDXEAASA-N 1 0 277.456 3.311 20 10 CGCDRO CN(C)c1ccc([C@@H](N)C[NH2+][C@@H]2CCCCC2(C)C)cc1 ZINC000841046082 635114415 /nfs/dbraw/zinc/11/44/15/635114415.db2.gz VTGQHGTUECNTEX-DLBZAZTESA-N 1 0 289.467 3.311 20 10 CGCDRO CCC[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)C(C)C ZINC000877616922 635114835 /nfs/dbraw/zinc/11/48/35/635114835.db2.gz IQGNTQAHJHLSFN-UHFFFAOYSA-N 1 0 290.451 3.268 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCC[C@@H](OC3CCC3)C2)c(O)c1 ZINC000877618559 635116048 /nfs/dbraw/zinc/11/60/48/635116048.db2.gz YRFQBIUGDXRHEN-MRXNPFEDSA-N 1 0 275.392 3.234 20 10 CGCDRO COc1cccc(OC)c1C[NH2+]Cc1c(C)cccc1O ZINC000877624518 635119563 /nfs/dbraw/zinc/11/95/63/635119563.db2.gz PIIVECFXZKYHBR-UHFFFAOYSA-N 1 0 287.359 3.008 20 10 CGCDRO COc1cccc(C[NH2+]Cc2ccc(C)cc2O)c1C ZINC000877640475 635127589 /nfs/dbraw/zinc/12/75/89/635127589.db2.gz ZOPQBPFNZVENSK-UHFFFAOYSA-N 1 0 271.360 3.307 20 10 CGCDRO COc1cc(Cl)cc(C[NH+]2CCC(C)(F)CC2)c1O ZINC000877700647 635151360 /nfs/dbraw/zinc/15/13/60/635151360.db2.gz RUZVAXFXZSXGAA-UHFFFAOYSA-N 1 0 287.762 3.378 20 10 CGCDRO COCc1cccc(C[N@@H+]2Cc3cccc(O)c3C2)c1 ZINC000877703119 635155173 /nfs/dbraw/zinc/15/51/73/635155173.db2.gz SAQOACPWNADPIC-UHFFFAOYSA-N 1 0 269.344 3.054 20 10 CGCDRO CCOc1cncc(C[NH2+][C@H](C)c2ccccc2O)c1 ZINC000877755407 635183986 /nfs/dbraw/zinc/18/39/86/635183986.db2.gz AIZZGLPFQKIWRN-GFCCVEGCSA-N 1 0 272.348 3.037 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)CC1CCOCC1)c1ccccc1O ZINC000877755829 635184344 /nfs/dbraw/zinc/18/43/44/635184344.db2.gz OBWJIQRIKLIDCN-QWHCGFSZSA-N 1 0 263.381 3.248 20 10 CGCDRO CCOC(=O)CC(C)(C)C[NH2+][C@H](C)c1ccccc1O ZINC000877755439 635184539 /nfs/dbraw/zinc/18/45/39/635184539.db2.gz BDBLUAZAIZYSTD-GFCCVEGCSA-N 1 0 279.380 3.022 20 10 CGCDRO COc1ccsc1C[NH2+][C@H](C)c1ccccc1O ZINC000877756315 635185432 /nfs/dbraw/zinc/18/54/32/635185432.db2.gz GSOLTJMBDAXNIV-SNVBAGLBSA-N 1 0 263.362 3.313 20 10 CGCDRO CC[C@H]1C[C@H](C[NH2+][C@@H](C)c2ccccc2O)CCO1 ZINC000877757096 635185457 /nfs/dbraw/zinc/18/54/57/635185457.db2.gz FTWKMOUGNKCIDA-MJBXVCDLSA-N 1 0 263.381 3.248 20 10 CGCDRO CCOc1ccc(C[NH2+][C@H](C)c2ccccc2O)nc1 ZINC000877756564 635185468 /nfs/dbraw/zinc/18/54/68/635185468.db2.gz SKIYVJYIKOAIIX-GFCCVEGCSA-N 1 0 272.348 3.037 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CC[C@H](C)SC1)c1ccccc1O ZINC000877758053 635187022 /nfs/dbraw/zinc/18/70/22/635187022.db2.gz HCTZFSABFBWDAJ-SDDRHHMPSA-N 1 0 251.395 3.327 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1CCCCO1)c1ccc(Cl)cc1O ZINC000841746023 635222399 /nfs/dbraw/zinc/22/23/99/635222399.db2.gz UGIHWHDYCFCQRK-CMPLNLGQSA-N 1 0 269.772 3.265 20 10 CGCDRO COC1(C[NH2+][C@H](C)c2ccc(Cl)cc2O)CCC1 ZINC000841752119 635225731 /nfs/dbraw/zinc/22/57/31/635225731.db2.gz FZTBYIJOUWHQBA-SNVBAGLBSA-N 1 0 269.772 3.265 20 10 CGCDRO CO[C@H](C[NH2+][C@H](C)c1ccc(N(C)C)cc1)CC(C)C ZINC000841755303 635228551 /nfs/dbraw/zinc/22/85/51/635228551.db2.gz JANROEXKYARBKS-PBHICJAKSA-N 1 0 278.440 3.464 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)c1 ZINC000842613186 635418125 /nfs/dbraw/zinc/41/81/25/635418125.db2.gz WOLCDBQTFTYMRJ-RDJZCZTQSA-N 1 0 289.419 3.400 20 10 CGCDRO COc1cccc(C[NH2+]C2(c3ccccc3C)CC2)c1O ZINC000842731956 635452607 /nfs/dbraw/zinc/45/26/07/635452607.db2.gz GMZPWJMKRFPSEF-UHFFFAOYSA-N 1 0 283.371 3.488 20 10 CGCDRO COc1cccc(O)c1C[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000842737162 635454856 /nfs/dbraw/zinc/45/48/56/635454856.db2.gz VGROXTCBYZDHJV-HUUCEWRRSA-N 1 0 283.371 3.294 20 10 CGCDRO CCc1ccc([C@@H]2C[NH2+]CCN2Cc2ccccc2O)cc1 ZINC000843118573 635561055 /nfs/dbraw/zinc/56/10/55/635561055.db2.gz MQMHOVVCJINLDQ-SFHVURJKSA-N 1 0 296.414 3.101 20 10 CGCDRO [NH3+]CCC[N@@H+](Cc1cccc(Cl)c1[O-])CC1CCCC1 ZINC000843122403 635561206 /nfs/dbraw/zinc/56/12/06/635561206.db2.gz BZGXFCHPJZCOQI-UHFFFAOYSA-N 1 0 296.842 3.387 20 10 CGCDRO CC[C@@H]([NH2+]CCCCCC[NH3+])c1ccc(F)cc1[O-] ZINC000843340345 635648880 /nfs/dbraw/zinc/64/88/80/635648880.db2.gz BGSKMOKXOBFLJZ-CQSZACIVSA-N 1 0 268.376 3.091 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H](c3cccnc3)C2)c1 ZINC000843420024 635664894 /nfs/dbraw/zinc/66/48/94/635664894.db2.gz YXQQKVNISQVKMV-HNNXBMFYSA-N 1 0 268.360 3.085 20 10 CGCDRO C[C@H]([NH2+]C[C@H](O)c1ccc(F)c(F)c1)c1ccccc1O ZINC000879651940 635828389 /nfs/dbraw/zinc/82/83/89/635828389.db2.gz QCIAQZWUTJBJJD-QFYYESIMSA-N 1 0 293.313 3.055 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@]3(CC3(F)F)C2)cc1 ZINC000844441635 635903238 /nfs/dbraw/zinc/90/32/38/635903238.db2.gz PXXREBYPDLYSQW-HNNXBMFYSA-N 1 0 280.362 3.374 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](C)SC)cc1 ZINC000128182166 635908718 /nfs/dbraw/zinc/90/87/18/635908718.db2.gz XEYMVGDBUBVPHG-CYBMUJFWSA-N 1 0 266.454 3.374 20 10 CGCDRO CCN(C)c1ccc(C[NH2+][C@@H](C)c2nccnc2C)cc1 ZINC000880108580 635915866 /nfs/dbraw/zinc/91/58/66/635915866.db2.gz BXWYTWFZSIFZMM-AWEZNQCLSA-N 1 0 284.407 3.092 20 10 CGCDRO CN1CCC[C@H]1C[N@H+](C)Cc1c(O)ccc2ccccc21 ZINC000211291234 636068073 /nfs/dbraw/zinc/06/80/73/636068073.db2.gz DBQZSMHYKRJWKR-HNNXBMFYSA-N 1 0 284.403 3.071 20 10 CGCDRO CCc1cccc(C[NH2+]Cc2ccc(OC)cc2O)c1 ZINC000845966389 636124943 /nfs/dbraw/zinc/12/49/43/636124943.db2.gz HTBNROZNPOBHNG-UHFFFAOYSA-N 1 0 271.360 3.253 20 10 CGCDRO C[C@]1(CC[NH2+]Cc2ccc3c(c2)CCO3)C[C@@]1(F)Cl ZINC000846041179 636136700 /nfs/dbraw/zinc/13/67/00/636136700.db2.gz ZLSSNWHGMQBSNJ-GJZGRUSLSA-N 1 0 283.774 3.416 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000846107530 636144716 /nfs/dbraw/zinc/14/47/16/636144716.db2.gz IYLVDOUFFXLUBP-CYBMUJFWSA-N 1 0 253.292 3.013 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]Cc2ccsc2)c1O ZINC000846139830 636148582 /nfs/dbraw/zinc/14/85/82/636148582.db2.gz AIVLZQODSJIXMS-JTQLQIEISA-N 1 0 263.362 3.313 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCC[C@H]3OCC[C@H]32)c1O ZINC000846150898 636150023 /nfs/dbraw/zinc/15/00/23/636150023.db2.gz SNYJKOPLKSGVSF-SPWCGHHHSA-N 1 0 291.391 3.009 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCO[C@@H](C3CC3)C2)c1O ZINC000846165690 636151006 /nfs/dbraw/zinc/15/10/06/636151006.db2.gz XQGSEHQSBOFHRZ-NORZTCDRSA-N 1 0 291.391 3.009 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]Cc2ccc(C)c(C)n2)c1O ZINC000846167694 636151850 /nfs/dbraw/zinc/15/18/50/636151850.db2.gz BDIVMQBSTYUTEW-ZDUSSCGKSA-N 1 0 286.375 3.263 20 10 CGCDRO CCSCCC[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846168605 636151917 /nfs/dbraw/zinc/15/19/17/636151917.db2.gz SZZFZPWMPVCLIN-NSHDSACASA-N 1 0 269.410 3.195 20 10 CGCDRO CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846167740 636152236 /nfs/dbraw/zinc/15/22/36/636152236.db2.gz COGCGLZYLJUJTR-NWANDNLSSA-N 1 0 293.407 3.399 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@H]2C[C@@H](OC)C23CCC3)c1O ZINC000846167688 636152287 /nfs/dbraw/zinc/15/22/87/636152287.db2.gz AZXLIVPYJBYTIV-TUKIKUTGSA-N 1 0 291.391 3.009 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C1CC1)C1CCOCC1)c1cc(F)ccc1O ZINC000846188947 636156349 /nfs/dbraw/zinc/15/63/49/636156349.db2.gz RGQHPVYZDNIWNG-DIFFPNOSSA-N 1 0 293.382 3.387 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2nc(C(C)C)c[nH]2)c1 ZINC000883156328 636559336 /nfs/dbraw/zinc/55/93/36/636559336.db2.gz LAYCYMAHBQLAAK-NSHDSACASA-N 1 0 289.379 3.098 20 10 CGCDRO Cc1ncncc1[C@H](C)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000848517597 636584093 /nfs/dbraw/zinc/58/40/93/636584093.db2.gz GLLMYOGOJVHKDS-AWEZNQCLSA-N 1 0 296.418 3.236 20 10 CGCDRO C[C@@H](C[NH2+][C@@H](C)c1cc(F)ccc1O)C(=O)OC(C)(C)C ZINC000848563634 636607339 /nfs/dbraw/zinc/60/73/39/636607339.db2.gz VYLUHDHGAVMMMU-QWRGUYRKSA-N 1 0 297.370 3.160 20 10 CGCDRO C[C@H](C[NH2+][C@@H](C)c1ccccc1O)C(=O)OC(C)(C)C ZINC000848563766 636607435 /nfs/dbraw/zinc/60/74/35/636607435.db2.gz XFBBQRNMVXOVPM-NEPJUHHUSA-N 1 0 279.380 3.021 20 10 CGCDRO C[C@@H](Cc1ccccn1)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000848566611 636609585 /nfs/dbraw/zinc/60/95/85/636609585.db2.gz CBDXOHJHOHJJEM-WLMCBFPDSA-N 1 0 295.430 3.382 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCCN2CCCC[C@@H]12)c1ccccc1O ZINC000848568584 636611606 /nfs/dbraw/zinc/61/16/06/636611606.db2.gz MIDJPJQWTSNSBX-ULQDDVLXSA-N 1 0 288.435 3.450 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cc(Cl)ccc1O)[C@@H]1CCCCO1 ZINC000848575589 636614106 /nfs/dbraw/zinc/61/41/06/636614106.db2.gz SUIKUKCRALTQLM-HIFRSBDPSA-N 1 0 283.799 3.483 20 10 CGCDRO C[C@H]([NH2+]CCc1ccns1)c1ccc(Cl)cc1O ZINC000883247631 636617329 /nfs/dbraw/zinc/61/73/29/636617329.db2.gz QVXWJUKKGKHTED-VIFPVBQESA-N 1 0 282.796 3.395 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H]2CCC(C)(C)CO2)c1O ZINC000883249620 636620410 /nfs/dbraw/zinc/62/04/10/636620410.db2.gz MIRFIPMMHBQQAT-OLZOCXBDSA-N 1 0 293.407 3.257 20 10 CGCDRO COC[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC000883317738 636667644 /nfs/dbraw/zinc/66/76/44/636667644.db2.gz TZOHCOHTHZZDNV-CALCHBBNSA-N 1 0 288.435 3.192 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c1O ZINC000848888454 636675654 /nfs/dbraw/zinc/67/56/54/636675654.db2.gz BGEIJYFOAQASIW-WBVHZDCISA-N 1 0 289.419 3.203 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCC[C@H]2c2cn(C)nc2C)c1O ZINC000848890862 636678054 /nfs/dbraw/zinc/67/80/54/636678054.db2.gz UYGDGCPVHMCADQ-KRWDZBQOSA-N 1 0 299.418 3.334 20 10 CGCDRO CCc1cccc(C[NH2+]Cc2cn3cc(C)ccc3n2)c1O ZINC000848896176 636679920 /nfs/dbraw/zinc/67/99/20/636679920.db2.gz UMQITOFOSVWFQD-UHFFFAOYSA-N 1 0 295.386 3.201 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@@](C)(O)CCC(C)C)c1O ZINC000848896953 636679963 /nfs/dbraw/zinc/67/99/63/636679963.db2.gz LFMWCWZYZDJUFS-KRWDZBQOSA-N 1 0 279.424 3.231 20 10 CGCDRO CCc1cccc(C[NH2+]CCC[C@@H]2CCCC[C@H]2O)c1O ZINC000848899683 636680695 /nfs/dbraw/zinc/68/06/95/636680695.db2.gz SDRHNCFAIIIPPE-DOTOQJQBSA-N 1 0 291.435 3.376 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCCC[C@@H]2C[C@H](C)O)c1O ZINC000848907612 636685394 /nfs/dbraw/zinc/68/53/94/636685394.db2.gz GAVFNMQXGGHMKN-XJKSGUPXSA-N 1 0 277.408 3.080 20 10 CGCDRO CCc1cccc(C[NH+]2CCC(c3c[nH]nc3C)CC2)c1O ZINC000848910199 636686506 /nfs/dbraw/zinc/68/65/06/636686506.db2.gz IIAMWRYLSJGFKQ-UHFFFAOYSA-N 1 0 299.418 3.366 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCC[C@@](CO)(C(C)C)C2)c1O ZINC000848913636 636687350 /nfs/dbraw/zinc/68/73/50/636687350.db2.gz CXEIOXQJJPXNLF-GOSISDBHSA-N 1 0 291.435 3.185 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@@H]2CCO[C@@H](C(C)C)C2)c1O ZINC000848915416 636688959 /nfs/dbraw/zinc/68/89/59/636688959.db2.gz HLLXRNYNYZIIMT-RHSMWYFYSA-N 1 0 291.435 3.495 20 10 CGCDRO CCc1cccc(C[N@@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)c1O ZINC000848916103 636690007 /nfs/dbraw/zinc/69/00/07/636690007.db2.gz CQZAUMWCBWQLIB-ZWKOTPCHSA-N 1 0 297.398 3.263 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cc(C)c(C)cc1O)[C@@H]1CCCOC1 ZINC000883353180 636694131 /nfs/dbraw/zinc/69/41/31/636694131.db2.gz PSCPBGLLWXNRCE-GDBMZVCRSA-N 1 0 277.408 3.304 20 10 CGCDRO CCc1cccc(C[NH2+][C@H]2CCCN3CCCC[C@H]23)c1O ZINC000848927953 636700082 /nfs/dbraw/zinc/70/00/82/636700082.db2.gz RFPPYDWFRRISQR-DLBZAZTESA-N 1 0 288.435 3.061 20 10 CGCDRO CCN(CC)c1ccc(CNC(=[NH2+])N2CCCCC2)cc1 ZINC000849069171 636738685 /nfs/dbraw/zinc/73/86/85/636738685.db2.gz RYYWPWGTAJCGIC-UHFFFAOYSA-N 1 0 288.439 3.043 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CC2(O)CCC(C)CC2)c1 ZINC000087044243 636789850 /nfs/dbraw/zinc/78/98/50/636789850.db2.gz VQOFDKBSVCHDBS-TVIZTDCDSA-N 1 0 277.408 3.292 20 10 CGCDRO COCC1([NH2+]Cc2ccc(OC)c(C)c2)CCCC1 ZINC000850345254 637022199 /nfs/dbraw/zinc/02/21/99/637022199.db2.gz PQMJGLGOERGJEV-UHFFFAOYSA-N 1 0 263.381 3.052 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3ccccc3C)C2)cc1 ZINC000850346838 637022553 /nfs/dbraw/zinc/02/25/53/637022553.db2.gz YGRXMNDJAXBFJP-KRWDZBQOSA-N 1 0 296.414 3.372 20 10 CGCDRO Cc1ccncc1CC[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000850355979 637024775 /nfs/dbraw/zinc/02/47/75/637024775.db2.gz PLPYXVKFKNOURP-PLNGDYQASA-N 1 0 295.430 3.302 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)cc1 ZINC000850392974 637045591 /nfs/dbraw/zinc/04/55/91/637045591.db2.gz PAFSDCMMQWSNNV-DGYQADGPSA-N 1 0 256.393 3.154 20 10 CGCDRO CCOCc1cc(C[NH2+]CC2=CCCC2)ccc1OC ZINC000850395436 637046371 /nfs/dbraw/zinc/04/63/71/637046371.db2.gz HJAZBRUFEQLDEL-UHFFFAOYSA-N 1 0 275.392 3.432 20 10 CGCDRO COc1cccc(O)c1C[NH2+]C[C@H](OC)C1CCCCC1 ZINC000850407611 637050425 /nfs/dbraw/zinc/05/04/25/637050425.db2.gz LESBHAKDBPSHPX-KRWDZBQOSA-N 1 0 293.407 3.086 20 10 CGCDRO COc1cccc(O)c1C[NH2+]C[C@@H](OC)C1CCCCC1 ZINC000850407612 637050584 /nfs/dbraw/zinc/05/05/84/637050584.db2.gz LESBHAKDBPSHPX-QGZVFWFLSA-N 1 0 293.407 3.086 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](c2ccccc2)[C@@H](C)O)cc1C ZINC000850419651 637054931 /nfs/dbraw/zinc/05/49/31/637054931.db2.gz GIJIELWPVYTZRO-RDTXWAMCSA-N 1 0 285.387 3.215 20 10 CGCDRO COC1CC(CC[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)C1 ZINC000850482322 637085570 /nfs/dbraw/zinc/08/55/70/637085570.db2.gz NMUGEJXLMYXGOK-NPZBDFSRSA-N 1 0 293.382 3.484 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2COC(C)(C)C2)c2c1c(F)ccc2O ZINC000850483563 637086505 /nfs/dbraw/zinc/08/65/05/637086505.db2.gz YQYHFPGSTJTZES-SCVCMEIPSA-N 1 0 279.355 3.237 20 10 CGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@H]3CCC(C)(C)C3)C2)cc1 ZINC000850489084 637089083 /nfs/dbraw/zinc/08/90/83/637089083.db2.gz QJFICOCXIVIKHS-LSDHHAIUSA-N 1 0 288.435 3.442 20 10 CGCDRO CC[C@@H](COCC1CC1)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000850493194 637090132 /nfs/dbraw/zinc/09/01/32/637090132.db2.gz HVMYWZSUUFWWLC-RISCZKNCSA-N 1 0 281.371 3.387 20 10 CGCDRO CC[C@@H](COCC1CC1)[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000850495157 637090894 /nfs/dbraw/zinc/09/08/94/637090894.db2.gz XMFKWEKYJMXQNM-JSGCOSHPSA-N 1 0 293.407 3.257 20 10 CGCDRO C[C@@H]([NH2+]C/C=C\CO)c1ccc(N2CCCCC2)c(F)c1 ZINC000850509105 637095246 /nfs/dbraw/zinc/09/52/46/637095246.db2.gz PHEAGWHTALSPPD-JHAQOBCDSA-N 1 0 292.398 3.015 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2COC3(CCC3)C2)c(O)c1C ZINC000850524712 637104391 /nfs/dbraw/zinc/10/43/91/637104391.db2.gz HRYWVPPIOPJTDK-KBPBESRZSA-N 1 0 275.392 3.371 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]CCC(C)(C)F)c1O ZINC000850531254 637108245 /nfs/dbraw/zinc/10/82/45/637108245.db2.gz HXSPZIVDRFFYNP-JTQLQIEISA-N 1 0 255.333 3.190 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)CN2CCC(C)CC2)c(O)c1 ZINC000850543793 637115764 /nfs/dbraw/zinc/11/57/64/637115764.db2.gz QGXDGQUPBZAPNP-HOTGVXAUSA-N 1 0 290.451 3.472 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2C[C@@H](O)C23CCC3)c1O ZINC000850545394 637116895 /nfs/dbraw/zinc/11/68/95/637116895.db2.gz GSSCTYUCHRZDNC-LEWSCRJBSA-N 1 0 295.810 3.308 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]CCCc1ccco1)CC2 ZINC000850570262 637127957 /nfs/dbraw/zinc/12/79/57/637127957.db2.gz SGWWFJPACQUZIX-CQSZACIVSA-N 1 0 257.333 3.195 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCc3cccnc32)cc1F ZINC000886519477 637550830 /nfs/dbraw/zinc/55/08/30/637550830.db2.gz WEPKAVJXJMAOKB-HNNXBMFYSA-N 1 0 285.366 3.064 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCc3cccnc32)cc1F ZINC000886519478 637552033 /nfs/dbraw/zinc/55/20/33/637552033.db2.gz WEPKAVJXJMAOKB-OAHLLOKOSA-N 1 0 285.366 3.064 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]CC[C@H]2CC(C)(C)CO2)c1O ZINC000886717513 637669912 /nfs/dbraw/zinc/66/99/12/637669912.db2.gz BLKQAHQAZJHYHV-OLZOCXBDSA-N 1 0 293.407 3.257 20 10 CGCDRO CCN(C)c1ccc(C[N@H+](C)CC2=CCSC2)cc1 ZINC000852747695 637705441 /nfs/dbraw/zinc/70/54/41/637705441.db2.gz UHTWBYBQYWGBJV-UHFFFAOYSA-N 1 0 276.449 3.248 20 10 CGCDRO O=C(C=C1CC[NH2+]CC1)N1CC2(CCCC2)c2ccccc21 ZINC000852842803 637717866 /nfs/dbraw/zinc/71/78/66/637717866.db2.gz IXFQHXXHMUNUDM-UHFFFAOYSA-N 1 0 296.414 3.155 20 10 CGCDRO CS[C@@H]1CC[C@@H]([NH2+][C@H](C)c2ccccc2O)C1 ZINC000300417538 637838455 /nfs/dbraw/zinc/83/84/55/637838455.db2.gz FGXDGVDOMQMMDH-IJLUTSLNSA-N 1 0 251.395 3.327 20 10 CGCDRO Cc1cc(C[N@@H+]2CCC3(COC3)C2)c(O)c(C(C)(C)C)c1 ZINC000853595512 637871246 /nfs/dbraw/zinc/87/12/46/637871246.db2.gz QPLKIDSSECOQKX-UHFFFAOYSA-N 1 0 289.419 3.220 20 10 CGCDRO COC[C@@H]1CCC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000112961105 638140060 /nfs/dbraw/zinc/14/00/60/638140060.db2.gz XLRMPANEOHKRFL-CQSZACIVSA-N 1 0 285.387 3.404 20 10 CGCDRO Cc1cc(N(C)C)ccc1CN[C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925498334 638244011 /nfs/dbraw/zinc/24/40/11/638244011.db2.gz OKOHVPWXKIMWJB-KXBFYZLASA-N 1 0 297.446 3.239 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2CCCO)cc1 ZINC000924574290 638365330 /nfs/dbraw/zinc/36/53/30/638365330.db2.gz NEIOCMHSIGIRIH-FUHWJXTLSA-N 1 0 290.451 3.174 20 10 CGCDRO Cc1cc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)ccn1 ZINC000856717910 638375963 /nfs/dbraw/zinc/37/59/63/638375963.db2.gz JGPSXKJZXPVHHZ-UHFFFAOYSA-N 1 0 269.392 3.088 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CC[C@@H]2CC2(F)F)cc1C ZINC000856802844 638391981 /nfs/dbraw/zinc/39/19/81/638391981.db2.gz ZIEKDQQZWHPKMY-GFCCVEGCSA-N 1 0 255.308 3.144 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cc(O)cc(F)c1 ZINC000924900771 638423148 /nfs/dbraw/zinc/42/31/48/638423148.db2.gz PAOSNNHQIWIZJH-NSHDSACASA-N 1 0 287.334 3.317 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+]CC[C@@H]2CC2(F)F)c1O ZINC000857060333 638447366 /nfs/dbraw/zinc/44/73/66/638447366.db2.gz QEHKPNZVFITDFN-SNVBAGLBSA-N 1 0 275.726 3.489 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@@H]1C[C@H]1C1CC1 ZINC000858088723 638624352 /nfs/dbraw/zinc/62/43/52/638624352.db2.gz PHNHTVPFFWVUHP-DQYPLSBCSA-N 1 0 258.409 3.277 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+]CC[C@H]2CCCOC2)cc1 ZINC000858206245 638657463 /nfs/dbraw/zinc/65/74/63/638657463.db2.gz IVFXRXBRQZIMSF-MAVJXHJTSA-N 1 0 288.435 3.172 20 10 CGCDRO CC(C)CC[C@H](CO)[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000858486262 638737786 /nfs/dbraw/zinc/73/77/86/638737786.db2.gz SQWIBXKDPXBQIP-DGCLKSJQSA-N 1 0 285.815 3.493 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H](CO)CCC(C)C)c(O)c1 ZINC000858486249 638737816 /nfs/dbraw/zinc/73/78/16/638737816.db2.gz SKYXYJWCNUSHBA-KBPBESRZSA-N 1 0 265.397 3.148 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc[nH]c1=O)c1cc(Cl)ccc1O ZINC000858562361 638762009 /nfs/dbraw/zinc/76/20/09/638762009.db2.gz BRWDQFMIWGOWMQ-ZDUSSCGKSA-N 1 0 292.766 3.387 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1ccccc1O ZINC000926936614 638827341 /nfs/dbraw/zinc/82/73/41/638827341.db2.gz KRHFANYOGGBJRP-KNCOVGOOSA-N 1 0 273.376 3.024 20 10 CGCDRO COC[C@H](C[NH2+][C@@H](C)c1cc(C)ccc1O)C(C)C ZINC000927097785 638841515 /nfs/dbraw/zinc/84/15/15/638841515.db2.gz ZRLOHJWDLQKZJN-KBPBESRZSA-N 1 0 265.397 3.270 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]C[C@]23C[C@H]2CCC3)c1O ZINC000927120179 638844972 /nfs/dbraw/zinc/84/49/72/638844972.db2.gz CGXAASLHHRUQTE-HSMVNMDESA-N 1 0 261.365 3.242 20 10 CGCDRO CCc1onc(C)c1C[NH2+][C@H](C)c1cccc(OC)c1O ZINC000927135521 638846310 /nfs/dbraw/zinc/84/63/10/638846310.db2.gz TUFAOXZZZQDKEM-SNVBAGLBSA-N 1 0 290.363 3.110 20 10 CGCDRO CCc1onc(C)c1C[NH2+][C@H](C)c1cc(C)ccc1O ZINC000927138610 638846684 /nfs/dbraw/zinc/84/66/84/638846684.db2.gz GTMGGWPKCJFOGG-LLVKDONJSA-N 1 0 274.364 3.410 20 10 CGCDRO Oc1ccccc1C[N@H+](CCOC1CC1)C1CCCC1 ZINC000929636935 638936297 /nfs/dbraw/zinc/93/62/97/638936297.db2.gz ZFBZAMVIAIMUIE-UHFFFAOYSA-N 1 0 275.392 3.316 20 10 CGCDRO CCC(C)(CC)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000116358833 639022512 /nfs/dbraw/zinc/02/25/12/639022512.db2.gz HAJJXBQTGZUKFT-UHFFFAOYSA-N 1 0 294.414 3.331 20 10 CGCDRO CCC(C)(CC)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000116359481 639022891 /nfs/dbraw/zinc/02/28/91/639022891.db2.gz CITNGOUVRWMNGC-UHFFFAOYSA-N 1 0 276.424 3.192 20 10 CGCDRO CC[C@@H](C)[N@H+](CC)Cc1ccc(N2CCOCC2)cc1 ZINC000930925305 639087141 /nfs/dbraw/zinc/08/71/41/639087141.db2.gz XKCCYOLULYGSND-OAHLLOKOSA-N 1 0 276.424 3.144 20 10 CGCDRO COCCC1CC[NH+](Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000859402392 639136020 /nfs/dbraw/zinc/13/60/20/639136020.db2.gz ZXKQPCJELHNOQO-UHFFFAOYSA-N 1 0 290.451 3.310 20 10 CGCDRO CCN(C)c1ccc(C[NH+]2CCC(CCOC)CC2)cc1 ZINC000859402245 639136263 /nfs/dbraw/zinc/13/62/63/639136263.db2.gz TYAVWBCNGQUMED-UHFFFAOYSA-N 1 0 290.451 3.391 20 10 CGCDRO COC(=O)[C@H]1CCCC[C@H]1C[NH2+][C@H](C)c1ccccc1O ZINC000931555218 639169979 /nfs/dbraw/zinc/16/99/79/639169979.db2.gz VGHVPAZMWAPIJR-IPYPFGDCSA-N 1 0 291.391 3.022 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)c1ccc(F)nc1 ZINC000931557938 639171163 /nfs/dbraw/zinc/17/11/63/639171163.db2.gz MEHFRHHTNKRHNG-MNOVXSKESA-N 1 0 260.312 3.338 20 10 CGCDRO C[C@@H]([NH2+][C@H](C)C1CCC1)c1ccc(N2CCOCC2)cc1 ZINC000155299061 639928669 /nfs/dbraw/zinc/92/86/69/639928669.db2.gz GRXZATONNGNVPB-HUUCEWRRSA-N 1 0 288.435 3.362 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)C1CC1 ZINC000155351595 639930816 /nfs/dbraw/zinc/93/08/16/639930816.db2.gz PHKDMEYTAFWFJZ-KBXCAEBGSA-N 1 0 288.435 3.362 20 10 CGCDRO C[C@H]([NH2+]C[C@@]1(C)CCCC[C@@H]1O)c1ccc(N(C)C)cc1 ZINC000159177220 640033320 /nfs/dbraw/zinc/03/33/20/640033320.db2.gz ZHDGOBKVNWXJCU-JCGIZDLHSA-N 1 0 290.451 3.344 20 10 CGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H]1CC[C@H](C)O1 ZINC000188543313 640140734 /nfs/dbraw/zinc/14/07/34/640140734.db2.gz CIAVHKPQWHLXQF-ZFWWWQNUSA-N 1 0 263.381 3.172 20 10 CGCDRO CC(C)OC1CC([NH2+]Cc2ccc3c(c2)CCCN3C)C1 ZINC000189527262 640198094 /nfs/dbraw/zinc/19/80/94/640198094.db2.gz FEYJJBSWSSAGEJ-UHFFFAOYSA-N 1 0 288.435 3.115 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CCS[C@H](C)CC2)c1O ZINC000191665320 640327109 /nfs/dbraw/zinc/32/71/09/640327109.db2.gz FZDYVPGFVNUIKS-GFCCVEGCSA-N 1 0 281.421 3.037 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2CCSC[C@@H](C)C2)cc1C ZINC000192180769 640355398 /nfs/dbraw/zinc/35/53/98/640355398.db2.gz XRQOIDYZYMFFIO-NSHDSACASA-N 1 0 265.422 3.194 20 10 CGCDRO Cc1cc(O)c(C[N@H+](C)Cc2cccnc2)cc1C ZINC000192501135 640375427 /nfs/dbraw/zinc/37/54/27/640375427.db2.gz YIDKEROZBYUPDS-UHFFFAOYSA-N 1 0 256.349 3.036 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cc(OC)ccc1O)c1nccs1 ZINC000080256400 640459463 /nfs/dbraw/zinc/45/94/63/640459463.db2.gz MIPNHDSBQZXJOD-GFCCVEGCSA-N 1 0 278.377 3.098 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCCOC(F)F)cc1 ZINC000194024945 640507837 /nfs/dbraw/zinc/50/78/37/640507837.db2.gz PGMFNHPIUBFTON-LBPRGKRZSA-N 1 0 286.366 3.423 20 10 CGCDRO CC(C)[C@@H](O)C(C)(C)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000090810568 640694157 /nfs/dbraw/zinc/69/41/57/640694157.db2.gz LJQFTCPYYZZXHW-WMLDXEAASA-N 1 0 292.467 3.446 20 10 CGCDRO CC(C)C[N@H+](Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000092008973 640729411 /nfs/dbraw/zinc/72/94/11/640729411.db2.gz LNZPDEHMGKGAGJ-UHFFFAOYSA-N 1 0 288.435 3.144 20 10 CGCDRO COc1cccc(C[N@@H+]2C[C@H](C)[C@@H]3CCCC[C@H]32)c1O ZINC000248373379 640754036 /nfs/dbraw/zinc/75/40/36/640754036.db2.gz IKNXBNLLDLGTSI-AEGPPILISA-N 1 0 275.392 3.411 20 10 CGCDRO CCOc1cccc(C[NH+]2C[C@@H]3CCCC[C@H]3C2)c1O ZINC000093441974 640770535 /nfs/dbraw/zinc/77/05/35/640770535.db2.gz MTVXJCHXLKEJHQ-KBPBESRZSA-N 1 0 275.392 3.413 20 10 CGCDRO COc1cccc(C[NH+]2C[C@@H]3CCCC[C@H]3C2)c1O ZINC000093442055 640770630 /nfs/dbraw/zinc/77/06/30/640770630.db2.gz VNCTXZWELGGGFC-STQMWFEESA-N 1 0 261.365 3.023 20 10 CGCDRO CN(CC[C@@H]1CCCC[N@@H+]1C)Cc1cc(Cl)ccc1O ZINC000093660027 640778018 /nfs/dbraw/zinc/77/80/18/640778018.db2.gz VKZHZKHJRNAEMN-HNNXBMFYSA-N 1 0 296.842 3.352 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCc3cc(N)ccc32)cc1 ZINC000094075174 640788822 /nfs/dbraw/zinc/78/88/22/640788822.db2.gz MGPLAYYLLPPYPI-SFHVURJKSA-N 1 0 281.403 3.112 20 10 CGCDRO CC(C)[C@@H](C[NH2+][C@@H](C)c1cc(F)ccc1O)N1CCCC1 ZINC000094616991 640798546 /nfs/dbraw/zinc/79/85/46/640798546.db2.gz IBENWGNNOZDNBN-XJKSGUPXSA-N 1 0 294.414 3.302 20 10 CGCDRO C[C@@H]([NH2+]CC1(O)CCCCCC1)c1cc(F)ccc1O ZINC000094618395 640800576 /nfs/dbraw/zinc/80/05/76/640800576.db2.gz IVNJFGZPYJQOAI-GFCCVEGCSA-N 1 0 281.371 3.267 20 10 CGCDRO CC[C@H]1COCC[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC000096810779 640839412 /nfs/dbraw/zinc/83/94/12/640839412.db2.gz AIGDOQQUVNUNEB-AWEZNQCLSA-N 1 0 271.360 3.156 20 10 CGCDRO C[C@H]([NH2+]Cc1ccccc1CO)c1ccc(N(C)C)cc1 ZINC000305163442 640884525 /nfs/dbraw/zinc/88/45/25/640884525.db2.gz XRDGOEZDFUBEBU-AWEZNQCLSA-N 1 0 284.403 3.096 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000305629872 640895248 /nfs/dbraw/zinc/89/52/48/640895248.db2.gz DYPNBAAARCLNAM-HNNXBMFYSA-N 1 0 298.430 3.404 20 10 CGCDRO CN(C)c1ccc(CN(C)c2[nH+]ccc3c2ccn3C)cc1 ZINC001156924249 805752684 /nfs/dbraw/zinc/75/26/84/805752684.db2.gz SWMQOJMBSQGSSY-UHFFFAOYSA-N 1 0 294.402 3.276 20 10 CGCDRO Nc1ccc(Nc2ccc([C@H]3CC[NH2+]C3)cc2)cc1 ZINC001159776046 806170300 /nfs/dbraw/zinc/17/03/00/806170300.db2.gz QBFRURAWRKLPFF-ZDUSSCGKSA-N 1 0 253.349 3.089 20 10 CGCDRO C[C@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccc1O ZINC001254574192 806454506 /nfs/dbraw/zinc/45/45/06/806454506.db2.gz GQJTZTYBOZQGLO-FZMZJTMJSA-N 1 0 298.342 3.118 20 10 CGCDRO C[C@H](CN1CCCCC1)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000037319549 798866962 /nfs/dbraw/zinc/86/69/62/798866962.db2.gz ZZBBUPDHLQUNJA-CVEARBPZSA-N 1 0 289.467 3.278 20 10 CGCDRO COc1cccc(C[NH2+]CCC2CCCCC2)c1O ZINC000037739893 798873360 /nfs/dbraw/zinc/87/33/60/798873360.db2.gz CSZKMBPACFFZAO-UHFFFAOYSA-N 1 0 263.381 3.461 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2Cc3ccccc3O2)c1 ZINC000038009610 798883021 /nfs/dbraw/zinc/88/30/21/798883021.db2.gz OWSSSLRRPGEQBH-HIFRSBDPSA-N 1 0 283.371 3.355 20 10 CGCDRO c1cc(N2CCSCC2)ccc1C[NH2+]C1CCCC1 ZINC000069716531 798914650 /nfs/dbraw/zinc/91/46/50/798914650.db2.gz MBDWAFBPYLLQNJ-UHFFFAOYSA-N 1 0 276.449 3.272 20 10 CGCDRO Oc1cccc(Cl)c1C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000156104302 799064916 /nfs/dbraw/zinc/06/49/16/799064916.db2.gz IHQZWQHABIWALY-PHIMTYICSA-N 1 0 251.757 3.278 20 10 CGCDRO Oc1cccc(Cl)c1C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000156104532 799065271 /nfs/dbraw/zinc/06/52/71/799065271.db2.gz IHQZWQHABIWALY-QWRGUYRKSA-N 1 0 251.757 3.278 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CC2(N(C)C)CCCC2)c(O)c1 ZINC000160716771 799076791 /nfs/dbraw/zinc/07/67/91/799076791.db2.gz QSFIJLUZOIBDHT-CQSZACIVSA-N 1 0 276.424 3.226 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCOC2(C)C)cc1 ZINC000328213307 799249931 /nfs/dbraw/zinc/24/99/31/799249931.db2.gz LBKRGGRXWGILIP-MRXNPFEDSA-N 1 0 276.424 3.190 20 10 CGCDRO CC[C@@H](C)[C@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)OC ZINC000381120116 799373437 /nfs/dbraw/zinc/37/34/37/799373437.db2.gz FBQVSKFXSFPNBX-QAPCUYQASA-N 1 0 290.451 3.438 20 10 CGCDRO CC(C)C[C@@H]1C[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000385861182 799428804 /nfs/dbraw/zinc/42/88/04/799428804.db2.gz SBDOFOMMTAKHFT-SJLPKXTDSA-N 1 0 288.435 3.047 20 10 CGCDRO C[C@H]([NH2+]C[C@](C)(O)C1CC1)c1ccc2ccccc2c1O ZINC000386955995 799441854 /nfs/dbraw/zinc/44/18/54/799441854.db2.gz OFYZTMZHZLDEDC-SGTLLEGYSA-N 1 0 285.387 3.357 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)[C@@H]1CCCOC1 ZINC000388859469 799456997 /nfs/dbraw/zinc/45/69/97/799456997.db2.gz JWGURTPUYZZSBX-SQWLQELKSA-N 1 0 276.424 3.218 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)[C@@H]1CCCOC1 ZINC000388916764 799457429 /nfs/dbraw/zinc/45/74/29/799457429.db2.gz CNZVFQVTROMERQ-NVXWUHKLSA-N 1 0 288.435 3.192 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@H]2CC3CCC2CC3)cc1 ZINC000389076947 799459659 /nfs/dbraw/zinc/45/96/59/799459659.db2.gz ZJVLKRRYZFZANK-PGEKIEPBSA-N 1 0 258.409 3.421 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@@H]1CC1(C)C ZINC000397667809 799517902 /nfs/dbraw/zinc/51/79/02/799517902.db2.gz DXZXYEYENJOHTB-PBHICJAKSA-N 1 0 288.435 3.047 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CSC[C@H]2C)c(O)c1 ZINC000397873444 799521914 /nfs/dbraw/zinc/52/19/14/799521914.db2.gz GSPWAQSBMOQRRD-NTZNESFSSA-N 1 0 251.395 3.103 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CSC[C@@H]2C)c1 ZINC000397903713 799522841 /nfs/dbraw/zinc/52/28/41/799522841.db2.gz UUANWLHKCIXHMM-GVXVVHGQSA-N 1 0 251.395 3.103 20 10 CGCDRO C[C@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])CS1 ZINC000397892475 799522986 /nfs/dbraw/zinc/52/29/86/799522986.db2.gz PKMJVAIJDPPTMG-WCBMZHEXSA-N 1 0 257.786 3.029 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CSC[C@H]2C)cc1 ZINC000397939767 799523311 /nfs/dbraw/zinc/52/33/11/799523311.db2.gz UDZFMLCATDZTLA-CZUORRHYSA-N 1 0 278.465 3.374 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CC[C@H](C)SC2)c1 ZINC000689562439 799765897 /nfs/dbraw/zinc/76/58/97/799765897.db2.gz SOESTXBXLOOPBF-SDDRHHMPSA-N 1 0 281.421 3.336 20 10 CGCDRO C[C@@H]1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2O)CS1 ZINC000689641163 799768023 /nfs/dbraw/zinc/76/80/23/799768023.db2.gz JXJSWQIOGCYXLA-BXKDBHETSA-N 1 0 271.813 3.419 20 10 CGCDRO Oc1cc(Br)ccc1C[NH2+][C@@H]1CC=CCC1 ZINC000691426151 799783589 /nfs/dbraw/zinc/78/35/89/799783589.db2.gz GTELVJZVRROCRW-GFCCVEGCSA-N 1 0 282.181 3.353 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCOC2(C)C)c(O)c1 ZINC000693079604 799807915 /nfs/dbraw/zinc/80/79/15/799807915.db2.gz POQARSLWZSWCIU-OLZOCXBDSA-N 1 0 263.381 3.166 20 10 CGCDRO CCOc1cccc(C[NH2+][C@H]2CCCC(F)(F)C2)c1O ZINC000695082365 799825629 /nfs/dbraw/zinc/82/56/29/799825629.db2.gz LLNAORDPASKDCP-LBPRGKRZSA-N 1 0 285.334 3.458 20 10 CGCDRO C[C@@H](C[NH2+][C@H]1CCc2cccc(O)c21)CC(F)F ZINC000697736050 799848895 /nfs/dbraw/zinc/84/88/95/799848895.db2.gz KOWKJHAKMONEMK-KOLCDFICSA-N 1 0 255.308 3.260 20 10 CGCDRO Oc1ccc(Br)cc1C[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000698942085 799857885 /nfs/dbraw/zinc/85/78/85/799857885.db2.gz KGXQGGCUOJSLOZ-GWCFXTLKSA-N 1 0 296.208 3.290 20 10 CGCDRO C[C@@H]([NH2+]Cc1c(O)cccc1Br)C1CC1 ZINC000706834225 799967707 /nfs/dbraw/zinc/96/77/07/799967707.db2.gz PDNIEVXFVQKMKB-MRVPVSSYSA-N 1 0 270.170 3.043 20 10 CGCDRO CC(C)([NH2+]Cc1c(O)cccc1Br)C1CC1 ZINC000706857894 799968799 /nfs/dbraw/zinc/96/87/99/799968799.db2.gz MAUKOUIHGSTIFJ-UHFFFAOYSA-N 1 0 284.197 3.433 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)c1O ZINC000709510242 800009244 /nfs/dbraw/zinc/00/92/44/800009244.db2.gz YCVYQZGUPFZPTQ-XPKDYRNWSA-N 1 0 259.393 3.480 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H]2C[C@@H](OC)C23CCC3)c1O ZINC000713464337 800109122 /nfs/dbraw/zinc/10/91/22/800109122.db2.gz MAOCAHFBPQBIAP-HUUCEWRRSA-N 1 0 275.392 3.002 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1CCN1Cc1ccccc1)c1ccccc1O ZINC000716230461 800166204 /nfs/dbraw/zinc/16/62/04/800166204.db2.gz RAHWDHWQXSTUQS-NVXWUHKLSA-N 1 0 296.414 3.317 20 10 CGCDRO COCC(C)(C)CC[NH2+]Cc1cc(Cl)ccc1O ZINC000718741930 800220367 /nfs/dbraw/zinc/22/03/67/800220367.db2.gz UPZZEAPSXJURNZ-UHFFFAOYSA-N 1 0 271.788 3.198 20 10 CGCDRO COc1cccc(C[NH2+]CC2CCC(SC)CC2)c1O ZINC000720572930 800262011 /nfs/dbraw/zinc/26/20/11/800262011.db2.gz LIGWNENUEMEFFZ-UHFFFAOYSA-N 1 0 295.448 3.412 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000724640559 800365041 /nfs/dbraw/zinc/36/50/41/800365041.db2.gz USFVGJUQECMSND-QNWHQSFQSA-N 1 0 279.380 3.007 20 10 CGCDRO CC(C)N(CCC[NH3+])c1ccc2c(c1)CCC(C)(C)O2 ZINC001164129123 806897880 /nfs/dbraw/zinc/89/78/80/806897880.db2.gz YZMPPUPVJLODBI-UHFFFAOYSA-N 1 0 276.424 3.354 20 10 CGCDRO COc1cccc(O)c1C[N@H+](C)[C@@H]1CC[C@@H](SC)C1 ZINC001116444859 802351432 /nfs/dbraw/zinc/35/14/32/802351432.db2.gz BQLNLJNJGCGKQT-VXGBXAGGSA-N 1 0 281.421 3.117 20 10 CGCDRO C[C@H]1C[N@H+](Cc2ccc(N)cc2)C[C@H](c2ccccc2)O1 ZINC001120370840 802742246 /nfs/dbraw/zinc/74/22/46/802742246.db2.gz HFCZNANCPHISME-KBXCAEBGSA-N 1 0 282.387 3.231 20 10 CGCDRO CCc1ccc([C@@H]2C[N@H+](Cc3ccc(N)cc3)CCO2)cc1 ZINC001120371157 802742501 /nfs/dbraw/zinc/74/25/01/802742501.db2.gz SPAHVHZTOKVMOC-IBGZPJMESA-N 1 0 296.414 3.405 20 10 CGCDRO CC[N@H+](Cc1ccc2c(c1)COC2)Cc1ccccc1O ZINC001137028679 803673492 /nfs/dbraw/zinc/67/34/92/803673492.db2.gz ZRDPBVWPIBNUOB-UHFFFAOYSA-N 1 0 283.371 3.445 20 10 CGCDRO Cc1cc(C[N@@H+]2C[C@@H]3CCO[C@@H]3C2)c(C)n1-c1ccccc1 ZINC001137859131 803788212 /nfs/dbraw/zinc/78/82/12/803788212.db2.gz KABYFAHGAHWYIL-QFBILLFUSA-N 1 0 296.414 3.315 20 10 CGCDRO [O-]c1c(F)cccc1C[N@H+]1C[C@H]2[C@H](CCC2(F)F)C1 ZINC001138124076 803864242 /nfs/dbraw/zinc/86/42/42/803864242.db2.gz YBQAVERHTTXPAZ-KOLCDFICSA-N 1 0 271.282 3.008 20 10 CGCDRO Cc1c(C[N@@H+]2CCC[C@H](O)[C@@H](C)C2)c2ccccc2n1C ZINC001138252300 803879228 /nfs/dbraw/zinc/87/92/28/803879228.db2.gz AWECDGUSRMTCES-UGSOOPFHSA-N 1 0 286.419 3.080 20 10 CGCDRO Cc1c(CN2CCC[N@@H+]3CCC[C@H]3C2)c2ccccc2n1C ZINC001138256627 803882845 /nfs/dbraw/zinc/88/28/45/803882845.db2.gz CYWPLMYHWQNKLG-INIZCTEOSA-N 1 0 297.446 3.157 20 10 CGCDRO Cc1c(C[N@H+]2CC[C@@H](OC(C)C)C2)c2ccccc2n1C ZINC001138258716 803885042 /nfs/dbraw/zinc/88/50/42/803885042.db2.gz ZHAJLHXVYJKTKX-OAHLLOKOSA-N 1 0 286.419 3.486 20 10 CGCDRO CC[N@H+](Cc1cc2c3c(c1O)CCCN3CCC2)C1CC1 ZINC001138338137 803898908 /nfs/dbraw/zinc/89/89/08/803898908.db2.gz KNRZCFOZVAITGW-UHFFFAOYSA-N 1 0 286.419 3.075 20 10 CGCDRO CN1CCCc2cc(C[N@@H+]3CCc4ccncc4C3)ccc21 ZINC001138356501 803900388 /nfs/dbraw/zinc/90/03/88/803900388.db2.gz PMZOPANBNGYNBO-UHFFFAOYSA-N 1 0 293.414 3.022 20 10 CGCDRO CC(=O)[C@H]1CCCC[N@H+]1Cc1ccc2c(c1)CCCN2C ZINC001138355787 803901506 /nfs/dbraw/zinc/90/15/06/803901506.db2.gz CTZYVZDRSPDTHS-QGZVFWFLSA-N 1 0 286.419 3.013 20 10 CGCDRO C[C@H]1C[N@H+](Cc2ccc3c(c2)CCCN3C)C2(CC2)C1 ZINC001138358889 803902699 /nfs/dbraw/zinc/90/26/99/803902699.db2.gz DJEXWUFSJSLRMO-CQSZACIVSA-N 1 0 270.420 3.443 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccccc2O)s1 ZINC001138493698 803951319 /nfs/dbraw/zinc/95/13/19/803951319.db2.gz ULBDERBJNGBPLF-UHFFFAOYSA-N 1 0 276.405 3.152 20 10 CGCDRO Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+](C)CCC1CC1 ZINC001139130411 804133777 /nfs/dbraw/zinc/13/37/77/804133777.db2.gz DJGNIVMZWGTERC-UHFFFAOYSA-N 1 0 287.359 3.039 20 10 CGCDRO Cc1cc(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)ccc1N(C)C ZINC001139669660 804246371 /nfs/dbraw/zinc/24/63/71/804246371.db2.gz GDDJTRGONZQMEV-AEFFLSMTSA-N 1 0 288.435 3.062 20 10 CGCDRO Cc1cc(C[N@@H+]2CC[C@@](C)(CF)C2)ccc1N(C)C ZINC001139670132 804246999 /nfs/dbraw/zinc/24/69/99/804246999.db2.gz XJVJFUTZUMOELF-INIZCTEOSA-N 1 0 264.388 3.243 20 10 CGCDRO COC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(N(C)C)c(C)c1 ZINC001139674147 804247942 /nfs/dbraw/zinc/24/79/42/804247942.db2.gz RDFPHLVPOJLIQE-SJPCQFCGSA-N 1 0 288.435 3.203 20 10 CGCDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@H]1Cc1ccccn1 ZINC001140054946 804361922 /nfs/dbraw/zinc/36/19/22/804361922.db2.gz AVDQBCLSIHQTKF-INIZCTEOSA-N 1 0 286.350 3.133 20 10 CGCDRO COc1cccc(CC[N@H+](C)Cc2cc(F)ccc2O)c1 ZINC001140054980 804362993 /nfs/dbraw/zinc/36/29/93/804362993.db2.gz BZBHQXZTMOQHTH-UHFFFAOYSA-N 1 0 289.350 3.214 20 10 CGCDRO Oc1ccc(F)cc1C[N@H+]1C[C@@H]2CC(F)(F)C[C@@H]2C1 ZINC001140063158 804368946 /nfs/dbraw/zinc/36/89/46/804368946.db2.gz LSPHODVLJAKKFX-PHIMTYICSA-N 1 0 271.282 3.008 20 10 CGCDRO CC1(C)C[N@H+](Cc2c(O)cccc2Cl)[C@@](C)(CO)C1 ZINC001140337840 804418332 /nfs/dbraw/zinc/41/83/32/804418332.db2.gz IWFAZAVBOPPWFY-OAHLLOKOSA-N 1 0 283.799 3.029 20 10 CGCDRO C[N@H+](Cc1c(O)cccc1Cl)C1CC(F)(F)C1 ZINC001140337954 804418791 /nfs/dbraw/zinc/41/87/91/804418791.db2.gz OORLIWHWLBRJCD-UHFFFAOYSA-N 1 0 261.699 3.275 20 10 CGCDRO COCCC1CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001140466919 804443487 /nfs/dbraw/zinc/44/34/87/804443487.db2.gz MFHLMWPCXYWIEE-UHFFFAOYSA-N 1 0 283.799 3.294 20 10 CGCDRO CCC[NH+](CCC)Cc1ccc(N2CCOCC2)cc1F ZINC001140662150 804487122 /nfs/dbraw/zinc/48/71/22/804487122.db2.gz HFIZBSHCCSSEHL-UHFFFAOYSA-N 1 0 294.414 3.284 20 10 CGCDRO Cc1c(O)ccc(C[NH+]2C[C@@H]3CCCC[C@H]3C2)c1O ZINC001140742546 804503633 /nfs/dbraw/zinc/50/36/33/804503633.db2.gz RJXJGCBCWSJKLY-STQMWFEESA-N 1 0 261.365 3.028 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)Cc2cccnc2)c(O)c1 ZINC001140851488 804533160 /nfs/dbraw/zinc/53/31/60/804533160.db2.gz JSSSMUJRYROYNJ-UHFFFAOYSA-N 1 0 299.418 3.265 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](C)C2)c(O)c1 ZINC001140850109 804533325 /nfs/dbraw/zinc/53/33/25/804533325.db2.gz DUAIKTXEODVRIB-CYBMUJFWSA-N 1 0 262.397 3.080 20 10 CGCDRO Cc1ccc(C[N@@H+]2CC[C@H]2COCc2ccccc2)c(O)c1 ZINC001140950225 804557584 /nfs/dbraw/zinc/55/75/84/804557584.db2.gz WDMFHTOFLIBQNG-SFHVURJKSA-N 1 0 297.398 3.492 20 10 CGCDRO Cc1ccc(C[N@@H+]2CC[C@@H](Oc3cccc(C)n3)C2)c(O)c1 ZINC001140954101 804558008 /nfs/dbraw/zinc/55/80/08/804558008.db2.gz LOWCCWNHXDFWHC-MRXNPFEDSA-N 1 0 298.386 3.057 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCC[C@@H](Oc3ccncc3)C2)c(O)c1 ZINC001140953552 804558643 /nfs/dbraw/zinc/55/86/43/804558643.db2.gz BFRHLJMILXQJOP-QGZVFWFLSA-N 1 0 298.386 3.139 20 10 CGCDRO COc1cccc2c1CC[N@H+](Cc1ccc(C)cc1O)C2 ZINC001140954700 804558851 /nfs/dbraw/zinc/55/88/51/804558851.db2.gz WUZXRFHDQSNXNO-UHFFFAOYSA-N 1 0 283.371 3.268 20 10 CGCDRO Cc1ccc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)c(O)c1 ZINC001140957729 804558923 /nfs/dbraw/zinc/55/89/23/804558923.db2.gz LSPMTXPSWZFKRB-UHFFFAOYSA-N 1 0 284.403 3.399 20 10 CGCDRO CCCC[N@H+](CCC)Cc1c(O)cc(OC)cc1OC ZINC001141027017 804573602 /nfs/dbraw/zinc/57/36/02/804573602.db2.gz KGKHUOWAQMFUQG-UHFFFAOYSA-N 1 0 281.396 3.422 20 10 CGCDRO CN1CCOc2cc(C[N@@H+]3CCC[C@H]4CCC[C@@H]43)ccc21 ZINC001141143523 804596642 /nfs/dbraw/zinc/59/66/42/804596642.db2.gz CHSKSPFUKXVADO-CVEARBPZSA-N 1 0 286.419 3.280 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)Cc2cc3cccnc3[nH]2)cc1 ZINC001143229588 804824061 /nfs/dbraw/zinc/82/40/61/804824061.db2.gz WQUKZWYEKUJIGM-UHFFFAOYSA-N 1 0 294.402 3.261 20 10 CGCDRO Oc1cc(O)c(C[NH+]2CCC(c3ccccc3)CC2)c(O)c1 ZINC001144504636 804997204 /nfs/dbraw/zinc/99/72/04/804997204.db2.gz YGCAZBBTINSHAR-UHFFFAOYSA-N 1 0 299.370 3.183 20 10 CGCDRO Cc1cc(C[N@@H+]2CCC[C@@H]3C[C@@H]32)c(O)cc1Br ZINC001250133659 805434584 /nfs/dbraw/zinc/43/45/84/805434584.db2.gz NPGJVXPDIKDSBR-MFKMUULPSA-N 1 0 296.208 3.447 20 10 CGCDRO COc1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)C2 ZINC001168241177 807363287 /nfs/dbraw/zinc/36/32/87/807363287.db2.gz GBTVCNKTKYHICA-KRWDZBQOSA-N 1 0 296.414 3.018 20 10 CGCDRO CC[N@H+](Cc1ccccc1O)[C@@H]1Cc2ccc(OC)cc2C1 ZINC001168284828 807373608 /nfs/dbraw/zinc/37/36/08/807373608.db2.gz WKTBTAGIDJLFPI-QGZVFWFLSA-N 1 0 297.398 3.390 20 10 CGCDRO Fc1ccc2c(c1)CC[C@H]([NH2+]Cc1ccc3c(c1)CCO3)C2 ZINC001168401666 807406534 /nfs/dbraw/zinc/40/65/34/807406534.db2.gz CRWGYCVEXNTZGW-SFHVURJKSA-N 1 0 297.373 3.408 20 10 CGCDRO CSC(C)(C)C[C@H](C)[NH2+]Cc1cccc(O)c1O ZINC001258333640 807414827 /nfs/dbraw/zinc/41/48/27/807414827.db2.gz PGTOBHDDTFALCD-JTQLQIEISA-N 1 0 269.410 3.108 20 10 CGCDRO C[C@@H](Cc1cccc(F)c1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC001168455686 807421504 /nfs/dbraw/zinc/42/15/04/807421504.db2.gz IJMDFZXNQPMPCF-ZDUSSCGKSA-N 1 0 285.362 3.481 20 10 CGCDRO Oc1ccc(C[NH2+][C@@H]2Cc3cccc(Cl)c3C2)c(O)c1 ZINC001168698920 807488081 /nfs/dbraw/zinc/48/80/81/807488081.db2.gz MFENFHWAPQZDCH-GFCCVEGCSA-N 1 0 289.762 3.008 20 10 CGCDRO C[C@@H](Cc1cccnc1)[NH2+][C@@H](C)c1ccccc1O ZINC001258614739 807511188 /nfs/dbraw/zinc/51/11/88/807511188.db2.gz UWUPNTJXTVRDPK-STQMWFEESA-N 1 0 256.349 3.069 20 10 CGCDRO CC[C@@H](C)C[C@H](CC)[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC001258781857 807608288 /nfs/dbraw/zinc/60/82/88/807608288.db2.gz GQWNFZHUEJQBEL-YPMHNXCESA-N 1 0 279.380 3.085 20 10 CGCDRO Oc1ccc(CNc2cc[nH+]c(N3CCCCC3)c2)cc1O ZINC001169995048 807736032 /nfs/dbraw/zinc/73/60/32/807736032.db2.gz QDEZVWVZEDMADI-UHFFFAOYSA-N 1 0 299.374 3.095 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)c(Cl)c1 ZINC001261366866 807739714 /nfs/dbraw/zinc/73/97/14/807739714.db2.gz IIHBQQIVEBGMQS-WBMJQRKESA-N 1 0 295.810 3.355 20 10 CGCDRO CCOc1ccc(C[NH2+][C@H]2CCC[C@@H](F)C2)c(O)c1 ZINC001261493571 807751380 /nfs/dbraw/zinc/75/13/80/807751380.db2.gz ICVNYJGNUCSGKT-OLZOCXBDSA-N 1 0 267.344 3.161 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]C2CC3(CC3(F)F)C2)c1 ZINC001261671169 807777532 /nfs/dbraw/zinc/77/75/32/807777532.db2.gz JQKKRTFRMSOVMX-UHFFFAOYSA-N 1 0 283.318 3.068 20 10 CGCDRO COc1ccc(N2CC[NH+]([C@H]3CC[C@@H](C)C3)CC2)c(C)c1 ZINC001170157336 807780203 /nfs/dbraw/zinc/78/02/03/807780203.db2.gz KICYJDQGZTYILC-ZBFHGGJFSA-N 1 0 288.435 3.314 20 10 CGCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](CF)C1)CCCC2 ZINC001262052654 807815325 /nfs/dbraw/zinc/81/53/25/807815325.db2.gz BXEKMVVWQQCCBC-LBPRGKRZSA-N 1 0 263.356 3.062 20 10 CGCDRO CCC(C)(CC)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC001262361231 807855122 /nfs/dbraw/zinc/85/51/22/807855122.db2.gz GLLMEVUAWLZPTA-UHFFFAOYSA-N 1 0 267.369 3.078 20 10 CGCDRO CCCCCC[C@@H](CC)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001170582817 807859371 /nfs/dbraw/zinc/85/93/71/807859371.db2.gz XSAXIIZGSLACSG-RHSMWYFYSA-N 1 0 295.423 3.470 20 10 CGCDRO Nc1ccc(C[N@@H+]2CCC[C@H]2c2ccccn2)cc1 ZINC001262487205 807867678 /nfs/dbraw/zinc/86/76/78/807867678.db2.gz NMVBBNYYFYJSLK-INIZCTEOSA-N 1 0 253.349 3.001 20 10 CGCDRO Cc1ccc(C[N@@H+](Cc2ccc(N)cc2)CC2CC2)cn1 ZINC001262487975 807868366 /nfs/dbraw/zinc/86/83/66/807868366.db2.gz MBOABPSSZXCDAC-UHFFFAOYSA-N 1 0 281.403 3.384 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H]2C[C@@H]3[C@H](C2)C3(C)C)cc1 ZINC001170727960 807888349 /nfs/dbraw/zinc/88/83/49/807888349.db2.gz PXJQUQVTHXHPLS-MKZZRHPPSA-N 1 0 258.409 3.277 20 10 CGCDRO C[C@@H]([NH2+][C@H]1Cc2cccc(F)c2C1)c1ccccc1O ZINC001171777136 808137212 /nfs/dbraw/zinc/13/72/12/808137212.db2.gz IYFLSIFRWZBTJR-YPMHNXCESA-N 1 0 271.335 3.349 20 10 CGCDRO c1ccc2c(c1)C[C@H]([NH2+]Cc1ccc3c(c1)CCO3)CS2 ZINC001172185459 808191902 /nfs/dbraw/zinc/19/19/02/808191902.db2.gz SHDZKPGWDIZWOS-INIZCTEOSA-N 1 0 297.423 3.428 20 10 CGCDRO CC(C)OCC[C@H](C)[NH2+][C@H](C)c1ccccc1O ZINC001172444227 808319119 /nfs/dbraw/zinc/31/91/19/808319119.db2.gz UYIXTKUNTOKRCV-QWHCGFSZSA-N 1 0 251.370 3.246 20 10 CGCDRO CC(C)OCC[C@@H](C)[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001172456255 808326736 /nfs/dbraw/zinc/32/67/36/808326736.db2.gz NBRCZHPTTPRDSM-CYBMUJFWSA-N 1 0 293.407 3.050 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCc2ncsc2C1)c1ccccc1O ZINC001173123526 808519394 /nfs/dbraw/zinc/51/93/94/808519394.db2.gz GBTXQMOBCGIEIH-GHMZBOCLSA-N 1 0 274.389 3.057 20 10 CGCDRO CCCC[C@@H](CC(C)C)[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001173245336 808553711 /nfs/dbraw/zinc/55/37/11/808553711.db2.gz DPHIYPCKAJIIEJ-YOEHRIQHSA-N 1 0 295.423 3.326 20 10 CGCDRO CCOc1ccc(N2CC3(C2)C[NH+](C2CCCC2)C3)cc1 ZINC001276925659 809044923 /nfs/dbraw/zinc/04/49/23/809044923.db2.gz GFFCOBJGNZDOGI-UHFFFAOYSA-N 1 0 286.419 3.150 20 10 CGCDRO Cc1cc(Nc2cc(Br)c(C)cc2O)cc[nH+]1 ZINC001174656427 809120227 /nfs/dbraw/zinc/12/02/27/809120227.db2.gz MDBZPZWAXFVKIJ-UHFFFAOYSA-N 1 0 293.164 3.332 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@H]2CCN(C3CC3)C2)cc1C ZINC001177744114 809818768 /nfs/dbraw/zinc/81/87/68/809818768.db2.gz RPKRKNMQZRLVND-INIZCTEOSA-N 1 0 288.435 3.110 20 10 CGCDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1cc(C)c[nH]c1=O ZINC001179733865 809940711 /nfs/dbraw/zinc/94/07/11/809940711.db2.gz LDUWSDAIRANCQJ-UHFFFAOYSA-N 1 0 295.386 3.186 20 10 CGCDRO C[C@H]1C[N@H+](C/C=C/c2ccc(N(C)C)cc2)CC(C)(C)O1 ZINC001180039093 809968978 /nfs/dbraw/zinc/96/89/78/809968978.db2.gz LHKHVBGYPRNPRB-LFAOLKIESA-N 1 0 288.435 3.265 20 10 CGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CCOCC2(C)C)c1 ZINC001181399098 810050779 /nfs/dbraw/zinc/05/07/79/810050779.db2.gz GTWBSEBCFNHYCA-UHFFFAOYSA-N 1 0 263.381 3.126 20 10 CGCDRO CC[C@H]([NH2+]Cc1cc(C(C)C)ccc1O)[C@H](O)C(C)C ZINC001182387972 810108474 /nfs/dbraw/zinc/10/84/74/810108474.db2.gz QFWFUQGNIQGGLP-DOTOQJQBSA-N 1 0 279.424 3.401 20 10 CGCDRO Cc1ccc(C[NH2+][C@H]2C[C@@]2(F)c2ccccc2)c(O)c1 ZINC001182497695 810112761 /nfs/dbraw/zinc/11/27/61/810112761.db2.gz ALENDTAIWJUYJA-DLBZAZTESA-N 1 0 271.335 3.428 20 10 CGCDRO CCC[C@@H](C[NH2+]Cc1c(C)cc(OC)cc1O)OCC ZINC001183066319 810136306 /nfs/dbraw/zinc/13/63/06/810136306.db2.gz XHBNJQZBHPWDLG-ZDUSSCGKSA-N 1 0 281.396 3.004 20 10 CGCDRO C[C@H]([NH2+]C1CC(C(=O)OC(C)(C)C)C1)c1ccccc1O ZINC001183362443 810146739 /nfs/dbraw/zinc/14/67/39/810146739.db2.gz BJQNMXZYLQIKRL-HIFPTAJRSA-N 1 0 291.391 3.163 20 10 CGCDRO COC1(C[NH2+]Cc2cc(F)c(F)cc2[O-])CCCCCC1 ZINC001184217355 810183004 /nfs/dbraw/zinc/18/30/04/810183004.db2.gz FIKWJQPYTCQVRW-UHFFFAOYSA-N 1 0 299.361 3.499 20 10 CGCDRO Cc1cc(C[N@@H+]2CC[C@H]3[C@@H](C2)C3(F)F)ccc1N(C)C ZINC001192387260 810792779 /nfs/dbraw/zinc/79/27/79/810792779.db2.gz BIHJBJMEJUMMAF-UONOGXRCSA-N 1 0 280.362 3.148 20 10 CGCDRO COCC1([NH2+]Cc2ccc(OC)c(C)c2)CCCCC1 ZINC001196442157 811343199 /nfs/dbraw/zinc/34/31/99/811343199.db2.gz OJYFINDHNSVZNK-UHFFFAOYSA-N 1 0 277.408 3.443 20 10 CGCDRO CCC[N@H+](C)Cc1c(Br)ccc(OC)c1O ZINC001231548517 818123663 /nfs/dbraw/zinc/12/36/63/818123663.db2.gz UKKALNDSDDCNAU-UHFFFAOYSA-N 1 0 288.185 3.005 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CC[C@H](Oc2ccc(F)cc2)C1 ZINC001203556417 812390028 /nfs/dbraw/zinc/39/00/28/812390028.db2.gz PJTLBRWYBHMVOL-INIZCTEOSA-N 1 0 287.334 3.185 20 10 CGCDRO C[C@@H]1C(=O)CC[N@H+](Cc2ccccc2O)C12CCCC2 ZINC001203562059 812393997 /nfs/dbraw/zinc/39/39/97/812393997.db2.gz CJNCLEMLWBBMRI-CYBMUJFWSA-N 1 0 273.376 3.116 20 10 CGCDRO COc1ccc(C[N@@H+]2CC[C@H](C)C(F)(F)CC2)c(O)c1 ZINC001203621433 812409102 /nfs/dbraw/zinc/40/91/02/812409102.db2.gz TXXHNXNHKWUUIE-NSHDSACASA-N 1 0 285.334 3.268 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH+]1CCC2(CCOC2)CC1 ZINC001203650764 812414828 /nfs/dbraw/zinc/41/48/28/812414828.db2.gz ATNSESARTHIINX-UHFFFAOYSA-N 1 0 281.783 3.048 20 10 CGCDRO Cc1ccc(C[N@@H+](C)Cc2cc(Cl)ccc2O)cn1 ZINC001203664713 812422509 /nfs/dbraw/zinc/42/25/09/812422509.db2.gz RCPFSUHNWWRLAP-UHFFFAOYSA-N 1 0 276.767 3.381 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)C2(CC2)C1 ZINC001203664434 812423020 /nfs/dbraw/zinc/42/30/20/812423020.db2.gz FEWWSCKHWCNDCO-JTQLQIEISA-N 1 0 251.757 3.420 20 10 CGCDRO C[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(O)c(O)c1 ZINC001203880524 812477793 /nfs/dbraw/zinc/47/77/93/812477793.db2.gz UZGZXRMFIUXJFS-GFCCVEGCSA-N 1 0 269.344 3.045 20 10 CGCDRO COc1ccccc1[C@H]1CC[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203874190 812478475 /nfs/dbraw/zinc/47/84/75/812478475.db2.gz SHXHPZDWLSKKNS-AWEZNQCLSA-N 1 0 299.370 3.096 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCCC3(COC3)C2)cc1 ZINC001203940636 812497479 /nfs/dbraw/zinc/49/74/79/812497479.db2.gz SDRJMRSVELHQSJ-UHFFFAOYSA-N 1 0 288.435 3.145 20 10 CGCDRO CN(C)c1ccc(C[NH+]2CCC3(CCCOC3)CC2)cc1 ZINC001203937592 812497841 /nfs/dbraw/zinc/49/78/41/812497841.db2.gz YXNSAISKTIJAOX-UHFFFAOYSA-N 1 0 288.435 3.145 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCc3cccc(O)c3C2)s1 ZINC001204033605 812526967 /nfs/dbraw/zinc/52/69/67/812526967.db2.gz KLJJRINMXKLDTK-UHFFFAOYSA-N 1 0 259.374 3.320 20 10 CGCDRO CN(C)c1ccc(C[NH+]2CC3(CSC3)C2)c2ccccc21 ZINC001204239695 812581667 /nfs/dbraw/zinc/58/16/67/812581667.db2.gz CQORYMBTAKEYQZ-UHFFFAOYSA-N 1 0 298.455 3.455 20 10 CGCDRO c1cc(N2CCCC2)ccc1C[NH+]1CCC2(CCO2)CC1 ZINC001204321637 812613020 /nfs/dbraw/zinc/61/30/20/812613020.db2.gz JMCSEOWPOJNJBV-UHFFFAOYSA-N 1 0 286.419 3.042 20 10 CGCDRO Oc1cc(Cl)ccc1C[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC001204333287 812616762 /nfs/dbraw/zinc/61/67/62/812616762.db2.gz ARWLZDGYFSMVTJ-GXTWGEPZSA-N 1 0 281.783 3.047 20 10 CGCDRO CC(C)(C)c1ccc(CN2CCCC[C@@H]2C[NH3+])c(O)c1 ZINC001204932271 812782214 /nfs/dbraw/zinc/78/22/14/812782214.db2.gz IUKBZAZVMAWLSD-OAHLLOKOSA-N 1 0 276.424 3.003 20 10 CGCDRO C[C@H]1CC[C@@H](C[NH3+])N1Cc1cc(Cl)c(Cl)cc1O ZINC001205082264 812851567 /nfs/dbraw/zinc/85/15/67/812851567.db2.gz DUAQNZJTXYJNHC-WPRPVWTQSA-N 1 0 289.206 3.011 20 10 CGCDRO C[C@@H]1CC[C@H](C[NH3+])N(Cc2cccc(C(C)(C)C)c2O)C1 ZINC001205831197 813101951 /nfs/dbraw/zinc/10/19/51/813101951.db2.gz WUMKLOWILQRCPT-UKRRQHHQSA-N 1 0 290.451 3.249 20 10 CGCDRO CC[N@H+](Cc1ccccc1O)CC1(C)CCOCC1 ZINC001208076140 813688262 /nfs/dbraw/zinc/68/82/62/813688262.db2.gz DSBIUBZJZUZWLX-UHFFFAOYSA-N 1 0 263.381 3.031 20 10 CGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)CC1(C)CCOCC1 ZINC001208079909 813688897 /nfs/dbraw/zinc/68/88/97/813688897.db2.gz YDNCCKUQFJGSDX-UHFFFAOYSA-N 1 0 290.451 3.391 20 10 CGCDRO CC[N@H+](CC[C@H](C)SC)Cc1ccccc1O ZINC001208152420 813710544 /nfs/dbraw/zinc/71/05/44/813710544.db2.gz HFDKONDQRBWPNP-LBPRGKRZSA-N 1 0 253.411 3.356 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(C[NH+]2CC=CC2)cc1 ZINC001209519435 814073624 /nfs/dbraw/zinc/07/36/24/814073624.db2.gz UHWZITGTNQSENR-UHFFFAOYSA-N 1 0 252.361 3.466 20 10 CGCDRO Oc1ccc2ccccc2c1C[NH+]1CC(C(F)F)C1 ZINC001231589937 818128966 /nfs/dbraw/zinc/12/89/66/818128966.db2.gz VTXJQGIOTNGXRR-UHFFFAOYSA-N 1 0 263.287 3.242 20 10 CGCDRO O=C1CCC[N@@H+](Cc2c(O)ccc3ccccc32)CC1 ZINC001231586392 818129318 /nfs/dbraw/zinc/12/93/18/818129318.db2.gz GPIGMAUFPBHZII-UHFFFAOYSA-N 1 0 269.344 3.100 20 10 CGCDRO Cc1cccc(C[N@@H+]2CC[C@@](CF)(C(F)(F)F)C2)c1O ZINC001231591029 818131184 /nfs/dbraw/zinc/13/11/84/818131184.db2.gz QIZOYZHIMCHTQM-ZDUSSCGKSA-N 1 0 291.288 3.425 20 10 CGCDRO COc1cccc(CC[N@H+](C)Cc2cccc(C)c2O)c1 ZINC001231593357 818131274 /nfs/dbraw/zinc/13/12/74/818131274.db2.gz VCWXBKHKZZLHDE-UHFFFAOYSA-N 1 0 285.387 3.384 20 10 CGCDRO Cc1cccc(C[NH+]2CC3(C2)CC(F)(F)CS3)c1O ZINC001231593925 818131757 /nfs/dbraw/zinc/13/17/57/818131757.db2.gz OMUAAXHUGOZZOT-UHFFFAOYSA-N 1 0 285.359 3.027 20 10 CGCDRO COc1cc(C[N@@H+]2CC[C@@H](c3ccccc3)C2)c(O)cc1O ZINC001231634324 818143995 /nfs/dbraw/zinc/14/39/95/818143995.db2.gz LHFVYYPDFKWQHA-CQSZACIVSA-N 1 0 299.370 3.096 20 10 CGCDRO Cc1cc(C)c(C[N@@H+]2CCC(=O)[C@H]3CCCC[C@H]32)c(O)c1 ZINC001231843014 818185817 /nfs/dbraw/zinc/18/58/17/818185817.db2.gz SCTGKEVDBJRNTE-GOEBONIOSA-N 1 0 287.403 3.343 20 10 CGCDRO CO[C@@H]1CCC[C@@H]2C[N@H+](Cc3c(C)cc(C)cc3O)C[C@@H]21 ZINC001231845870 818187038 /nfs/dbraw/zinc/18/70/38/818187038.db2.gz RYWYOSGSJNJVAZ-UWWQBHOKSA-N 1 0 289.419 3.256 20 10 CGCDRO Cc1cc(C)c(C[N@@H+]2CC[C@H](Oc3cccnc3)C2)c(O)c1 ZINC001231845979 818187090 /nfs/dbraw/zinc/18/70/90/818187090.db2.gz WQSDGMNTTTZOQW-INIZCTEOSA-N 1 0 298.386 3.057 20 10 CGCDRO Cc1cc(C)c(C[N@H+](C)Cc2ccc(C)nc2)c(O)c1 ZINC001231847912 818187827 /nfs/dbraw/zinc/18/78/27/818187827.db2.gz FRSKOSKRBRXMIJ-UHFFFAOYSA-N 1 0 270.376 3.344 20 10 CGCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCCC[C@](C)(F)C1 ZINC001231849716 818188578 /nfs/dbraw/zinc/18/85/78/818188578.db2.gz XGVVYVWREOJMNH-KRWDZBQOSA-N 1 0 294.414 3.475 20 10 CGCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H]1C(C)C ZINC001231855673 818190648 /nfs/dbraw/zinc/19/06/48/818190648.db2.gz YLKQRGVNKRBERX-MRXNPFEDSA-N 1 0 276.424 3.382 20 10 CGCDRO CCCC[N@H+](CC)Cc1cc(Cl)c(O)cc1O ZINC001232257439 818295440 /nfs/dbraw/zinc/29/54/40/818295440.db2.gz CNFHVSBSNCSAEF-UHFFFAOYSA-N 1 0 257.761 3.373 20 10 CGCDRO Oc1cc(O)c(C[N@@H+]2CC[C@H]3CCC[C@H]3C2)cc1Cl ZINC001232257956 818295674 /nfs/dbraw/zinc/29/56/74/818295674.db2.gz NLYWMRCETJHOPJ-MNOVXSKESA-N 1 0 281.783 3.373 20 10 CGCDRO Cc1ccc(C[N@@H+](C)Cc2cc(Cl)c(O)cc2O)cn1 ZINC001232263377 818298082 /nfs/dbraw/zinc/29/80/82/818298082.db2.gz OIOQCXNUKYWYFN-UHFFFAOYSA-N 1 0 292.766 3.087 20 10 CGCDRO COc1cc(O)c(CN2CCC[C@](C)(F)C2)cc1Cl ZINC001232266922 818298161 /nfs/dbraw/zinc/29/81/61/818298161.db2.gz SRDAYAVPDACOKN-AWEZNQCLSA-N 1 0 287.762 3.378 20 10 CGCDRO COc1cc(O)c(C[NH+]2CCC(CF)CC2)cc1Cl ZINC001232269900 818300933 /nfs/dbraw/zinc/30/09/33/818300933.db2.gz MQXOELOHPPVJAU-UHFFFAOYSA-N 1 0 287.762 3.236 20 10 CGCDRO COC(=O)c1c(C[N@@H+]2CCCC23CC3)c2ccccc2n1C ZINC001232402509 818340751 /nfs/dbraw/zinc/34/07/51/818340751.db2.gz PBDXCNANGFAFPT-UHFFFAOYSA-N 1 0 298.386 3.093 20 10 CGCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CCC[C@]3(CCO3)C2)c1 ZINC001233286108 818567467 /nfs/dbraw/zinc/56/74/67/818567467.db2.gz FZCXQDZLJYFQLI-SFHVURJKSA-N 1 0 289.419 3.445 20 10 CGCDRO CC[N@H+](Cc1ccccc1O)Cc1cc(F)c(F)cc1N ZINC001233381916 818604179 /nfs/dbraw/zinc/60/41/79/818604179.db2.gz XTQDTRDCICESLW-UHFFFAOYSA-N 1 0 292.329 3.275 20 10 CGCDRO CCN1CCc2cc(O[C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)ccc21 ZINC001233607172 818657503 /nfs/dbraw/zinc/65/75/03/818657503.db2.gz IVMDCHPAVYPVQN-QLPKVWCKSA-N 1 0 286.419 3.073 20 10 CGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCC[C@@H](F)C3)c2c1 ZINC001234552859 818881304 /nfs/dbraw/zinc/88/13/04/818881304.db2.gz LTZKGJQUPSCWSL-CYBMUJFWSA-N 1 0 289.350 3.488 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2ccc(C(C)(C)C)cc2O)CCC[C@@H]1O ZINC001235676362 819137368 /nfs/dbraw/zinc/13/73/68/819137368.db2.gz RDUKAZWFBMGOSM-CJNGLKHVSA-N 1 0 291.435 3.283 20 10 CGCDRO CCCC[C@@H]1CN(Cc2ccc(Cl)cc2O)CC[NH2+]1 ZINC001236139307 819340146 /nfs/dbraw/zinc/34/01/46/819340146.db2.gz XPYGCHGCDJGTBF-CQSZACIVSA-N 1 0 282.815 3.010 20 10 CGCDRO Cc1c(CN(C)[C@]2(C)CCC[NH2+]C2)c2ccccc2n1C ZINC001236204777 819367752 /nfs/dbraw/zinc/36/77/52/819367752.db2.gz BWPAZSXCDCERTG-GOSISDBHSA-N 1 0 285.435 3.061 20 10 CGCDRO Oc1ccc(F)cc1CN([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236653721 819562732 /nfs/dbraw/zinc/56/27/32/819562732.db2.gz QVRMPTFWFGMSBN-INIZCTEOSA-N 1 0 292.398 3.028 20 10 CGCDRO CCc1ccc(C[NH+]2CCC(CF)CC2)c(O)c1 ZINC001236795182 819596389 /nfs/dbraw/zinc/59/63/89/819596389.db2.gz RKGRQLABLGSZBJ-UHFFFAOYSA-N 1 0 251.345 3.136 20 10 CGCDRO CCc1ccc(C[N@@H+]2CCC[C@H](CF)C2)c(O)c1 ZINC001236795272 819596977 /nfs/dbraw/zinc/59/69/77/819596977.db2.gz SVTMFZBCCCMEJK-CYBMUJFWSA-N 1 0 251.345 3.136 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CCC23CCCC3)c(O)c1 ZINC001236806773 819601778 /nfs/dbraw/zinc/60/17/78/819601778.db2.gz AZJSNRFCHDPEAM-UHFFFAOYSA-N 1 0 261.365 3.228 20 10 CGCDRO COc1cc(O)c(C[N@H+]2CC[C@H](OC)C[C@@H]2C)c(Cl)c1 ZINC001236805408 819601805 /nfs/dbraw/zinc/60/18/05/819601805.db2.gz FSINOCIGESBCTR-QWRGUYRKSA-N 1 0 299.798 3.054 20 10 CGCDRO Oc1cc2ccccc2cc1C[NH+]1CCSCC1 ZINC001236829054 819609212 /nfs/dbraw/zinc/60/92/12/819609212.db2.gz HWPONMOHBFXGMF-UHFFFAOYSA-N 1 0 259.374 3.094 20 10 CGCDRO CC(C)[N@H+](C)[C@H]1CCN(Cc2cc3ccccc3cc2O)C1 ZINC001236838448 819616235 /nfs/dbraw/zinc/61/62/35/819616235.db2.gz YKDIIYAHTFYPTO-SFHVURJKSA-N 1 0 298.430 3.460 20 10 CGCDRO CC(C)c1ccc(CN2CCC(=O)[C@@H](F)CC2)c(O)c1 ZINC001237044189 819647723 /nfs/dbraw/zinc/64/77/23/819647723.db2.gz BJPWXWRUIRYKOS-AWEZNQCLSA-N 1 0 279.355 3.019 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2CCC[C@](F)(CO)CC2)c(O)c1 ZINC001237046705 819650269 /nfs/dbraw/zinc/65/02/69/819650269.db2.gz VUPLUVOKFRGNIT-QGZVFWFLSA-N 1 0 295.398 3.202 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2CCCC(=O)[C@@H](C)C2)c(O)c1 ZINC001237047072 819650754 /nfs/dbraw/zinc/65/07/54/819650754.db2.gz ZIOMCYJBCXNGHW-ZDUSSCGKSA-N 1 0 275.392 3.317 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2CCc3cnccc3C2)c(O)c1 ZINC001237045389 819651171 /nfs/dbraw/zinc/65/11/71/819651171.db2.gz KCVOSDUSIQOJME-UHFFFAOYSA-N 1 0 282.387 3.469 20 10 CGCDRO CO[C@@H]1CCC[N@H+](Cc2c(O)ccc(F)c2Cl)CC1 ZINC001237127023 819672716 /nfs/dbraw/zinc/67/27/16/819672716.db2.gz SFAYVEYQLAZKDX-SNVBAGLBSA-N 1 0 287.762 3.186 20 10 CGCDRO CO[C@@H]1CC[N@H+](Cc2c(O)ccc(F)c2Cl)[C@H](C)C1 ZINC001237128545 819674773 /nfs/dbraw/zinc/67/47/73/819674773.db2.gz RKXRXWGKQSLYGG-NXEZZACHSA-N 1 0 287.762 3.184 20 10 CGCDRO Oc1cc2ccccc2cc1C[N@@H+]1CCNC2=CCCC[C@H]21 ZINC001237232100 819708382 /nfs/dbraw/zinc/70/83/82/819708382.db2.gz ZXKFSMKYYDUGQL-GOSISDBHSA-N 1 0 294.398 3.387 20 10 CGCDRO Cc1cccc(O)c1C[NH+]1CCC(Oc2cccnc2)CC1 ZINC001237489883 819764369 /nfs/dbraw/zinc/76/43/69/819764369.db2.gz MMINPESGDZOCEE-UHFFFAOYSA-N 1 0 298.386 3.139 20 10 CGCDRO CCc1n[nH]cc1C[N@@H+](CC)Cc1ccc(N(C)C)cc1 ZINC001237653760 819799305 /nfs/dbraw/zinc/79/93/05/819799305.db2.gz PAYYGVNXQPJJTR-UHFFFAOYSA-N 1 0 286.423 3.060 20 10 CGCDRO CC(=O)C1CC[NH+](Cc2cc(Cl)cc(C)c2O)CC1 ZINC001237684493 819805138 /nfs/dbraw/zinc/80/51/38/819805138.db2.gz AWJJTNCESCWZEF-UHFFFAOYSA-N 1 0 281.783 3.155 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@](C)(CO)CC2)c1O ZINC001237681807 819806711 /nfs/dbraw/zinc/80/67/11/819806711.db2.gz SVHQGPXSLVAWNC-MRXNPFEDSA-N 1 0 297.826 3.339 20 10 CGCDRO [O-]c1cc(Cl)c(F)cc1C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC001237933633 819884388 /nfs/dbraw/zinc/88/43/88/819884388.db2.gz FHDODKNBKUJDSX-HNNXBMFYSA-N 1 0 299.773 3.187 20 10 CGCDRO Cc1cc(F)cc(C[N@H+]2CCC[C@H]2C(C)C)c1O ZINC001238069348 819923489 /nfs/dbraw/zinc/92/34/89/819923489.db2.gz YHVQGIAAGFDHHY-AWEZNQCLSA-N 1 0 251.345 3.460 20 10 CGCDRO Cc1cc(F)cc(C[N@H+](C)C[C@@H]2CC2(C)C)c1O ZINC001238071383 819924660 /nfs/dbraw/zinc/92/46/60/819924660.db2.gz WAGREEOPLDVYGF-LBPRGKRZSA-N 1 0 251.345 3.318 20 10 CGCDRO CSc1ncc(C)cc1C[N@H+](C)Cc1ccccc1O ZINC001238718822 820101591 /nfs/dbraw/zinc/10/15/91/820101591.db2.gz RZANCEWIIIXUTB-UHFFFAOYSA-N 1 0 288.416 3.450 20 10 CGCDRO Cn1ccc2ccc(-c3ccccc3N3CC[NH2+]CC3)cc21 ZINC001240574984 821161337 /nfs/dbraw/zinc/16/13/37/821161337.db2.gz NIYODLQGCFRVFF-UHFFFAOYSA-N 1 0 291.398 3.255 20 10 CGCDRO Oc1cccc(Br)c1C[NH2+][C@@H]1C[C@H]2CCC[C@@H]21 ZINC001474295043 937848836 /nfs/dbraw/zinc/84/88/36/937848836.db2.gz WRKXGBINRJHWMK-GBIKHYSHSA-N 1 0 296.208 3.433 20 10 CGCDRO C[N@H+](CCOc1ccccc1Cl)Cc1ccc(N)cc1 ZINC001352788242 937049348 /nfs/dbraw/zinc/04/93/48/937049348.db2.gz NDKWDEODTSDKHT-UHFFFAOYSA-N 1 0 290.794 3.433 20 10 CGCDRO Nc1ccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC001356083749 937152665 /nfs/dbraw/zinc/15/26/65/937152665.db2.gz ZULZBMYWSUUKTE-UHFFFAOYSA-N 1 0 297.358 3.342 20 10 CGCDRO CC(C)(C)N1CC[C@H]([NH2+]Cc2ccc(Cl)cc2O)C1 ZINC001474625076 937207858 /nfs/dbraw/zinc/20/78/58/937207858.db2.gz IQHSWYWBBYGVGV-ZDUSSCGKSA-N 1 0 282.815 3.008 20 10 CGCDRO Cc1cccc(CNc2cc3[nH]ccc3c(C)[nH+]2)c1O ZINC001160769907 928203892 /nfs/dbraw/zinc/20/38/92/928203892.db2.gz MOLFWDTXCOLSCU-UHFFFAOYSA-N 1 0 267.332 3.497 20 10 CGCDRO COCC[C@H](C)[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2C ZINC000081709707 928271352 /nfs/dbraw/zinc/27/13/52/928271352.db2.gz CNFXAXAFANJYST-RWMBFGLXSA-N 1 0 263.381 3.264 20 10 CGCDRO COCC[C@H](C)[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC000081709700 928271373 /nfs/dbraw/zinc/27/13/73/928271373.db2.gz CNFXAXAFANJYST-FRRDWIJNSA-N 1 0 263.381 3.264 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+][C@@H]2CCCOCC2)c1 ZINC001560708706 937237084 /nfs/dbraw/zinc/23/70/84/937237084.db2.gz QABYSRUKWGXOSZ-OAHLLOKOSA-N 1 0 263.381 3.174 20 10 CGCDRO Cc1ccc(C)c(C[N@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)c1O ZINC001140178257 931956957 /nfs/dbraw/zinc/95/69/57/931956957.db2.gz FZBYIYCPQJQVBF-BETUJISGSA-N 1 0 281.346 3.486 20 10 CGCDRO Cc1ccc(C[N@@H+]2C[C@H]3C[C@@]3(c3ccccc3)C2)c(O)c1 ZINC001462583204 937651693 /nfs/dbraw/zinc/65/16/93/937651693.db2.gz VXJLPNSVZPVZEX-MJGOQNOKSA-N 1 0 279.383 3.474 20 10 CGCDRO COc1ccc(C[NH2+]CC(C)(C)[C@@H](O)C(C)C)cc1C ZINC001308358473 933100481 /nfs/dbraw/zinc/10/04/81/933100481.db2.gz FEMYWQLOAWRYCW-INIZCTEOSA-N 1 0 279.424 3.136 20 10 CGCDRO Cc1cccc2c1C[C@H]([NH2+]Cc1ccc3c(c1)CCO3)CO2 ZINC001308473385 933116544 /nfs/dbraw/zinc/11/65/44/933116544.db2.gz DTKUVOCFBQQYMB-INIZCTEOSA-N 1 0 295.382 3.023 20 10 CGCDRO CC1=CC[N@H+](C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC001308618087 933143293 /nfs/dbraw/zinc/14/32/93/933143293.db2.gz GFQSTAQUIVNSGJ-SNAWJCMRSA-N 1 0 256.393 3.418 20 10 CGCDRO Oc1cc(Cl)ccc1C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC001308626417 933144927 /nfs/dbraw/zinc/14/49/27/933144927.db2.gz AXIQDKAIBAYQDG-NSHDSACASA-N 1 0 291.782 3.148 20 10 CGCDRO COc1ccc(C[NH2+]CC2(OC)CCCCCC2)c(O)c1 ZINC001308714547 933163044 /nfs/dbraw/zinc/16/30/44/933163044.db2.gz BDNVPTDXOUYXKK-UHFFFAOYSA-N 1 0 293.407 3.230 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](CO)CCC(C)(C)C ZINC001308720664 933164418 /nfs/dbraw/zinc/16/44/18/933164418.db2.gz XMUULBQIQFKYNH-INIZCTEOSA-N 1 0 292.467 3.338 20 10 CGCDRO CC(C)O[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001308851626 933190241 /nfs/dbraw/zinc/19/02/41/933190241.db2.gz SMCJOKIQPVTLQN-CQSZACIVSA-N 1 0 283.799 3.435 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001319681867 933914673 /nfs/dbraw/zinc/91/46/73/933914673.db2.gz LBFFJWUMDQQEDM-ZIAGYGMSSA-N 1 0 275.392 3.413 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC001320411271 934045707 /nfs/dbraw/zinc/04/57/07/934045707.db2.gz LDCYTRDFDPVLBH-KYOSRNDESA-N 1 0 297.402 3.119 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2N(C)C)c(O)c1 ZINC001321025063 934136568 /nfs/dbraw/zinc/13/65/68/934136568.db2.gz XIGLVQLCZLANDT-BPUTZDHNSA-N 1 0 276.424 3.224 20 10 CGCDRO CCCC[N@H+](Cc1cc(C)n[nH]1)Cc1ccccc1O ZINC001321473130 934188741 /nfs/dbraw/zinc/18/87/41/934188741.db2.gz FIRAYSMQXXMDNM-UHFFFAOYSA-N 1 0 273.380 3.226 20 10 CGCDRO CC[C@@H](C[C@@H](C)CO)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001322145112 934252558 /nfs/dbraw/zinc/25/25/58/934252558.db2.gz RGTILYHWMROQET-WBVHZDCISA-N 1 0 290.451 3.174 20 10 CGCDRO Cc1csc(CCC[NH2+][C@@H]2CCc3cccc(O)c32)n1 ZINC001324601244 934530257 /nfs/dbraw/zinc/53/02/57/934530257.db2.gz IFBKUBBASKDNNW-CYBMUJFWSA-N 1 0 288.416 3.367 20 10 CGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]C[C@@H]1CCCC[C@H]1O ZINC001324848407 934865368 /nfs/dbraw/zinc/86/53/68/934865368.db2.gz OYADKOKSFHIZOZ-ZQDZILKHSA-N 1 0 289.419 3.390 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](C)Cc2ccc(C)cc2)c(O)c1 ZINC001326835974 935011165 /nfs/dbraw/zinc/01/11/65/935011165.db2.gz ODRIWTJFMCORAZ-AWEZNQCLSA-N 1 0 285.387 3.430 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)c1 ZINC001328161525 935121194 /nfs/dbraw/zinc/12/11/94/935121194.db2.gz UPTHXPFNLXBRPP-BNOWGMLFSA-N 1 0 297.345 3.314 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC001328252637 935126742 /nfs/dbraw/zinc/12/67/42/935126742.db2.gz IGFQCUOLOZXJCJ-YOWGUQMCSA-N 1 0 280.362 3.194 20 10 CGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@H](CF)C3)c2c1 ZINC001331044667 935344947 /nfs/dbraw/zinc/34/49/47/935344947.db2.gz BGPYHBKKAACAET-GFCCVEGCSA-N 1 0 289.350 3.345 20 10 CGCDRO C[NH2+][C@@H](C)CC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC001331832565 935413498 /nfs/dbraw/zinc/41/34/98/935413498.db2.gz DLAXOUJLIHJURO-DTWKUNHWSA-N 1 0 291.222 3.348 20 10 CGCDRO C[C@@H]([NH2+]CCCC(F)F)c1ccc(N(C)C)cc1 ZINC001331996870 935432128 /nfs/dbraw/zinc/43/21/28/935432128.db2.gz NVRFJVJOIOKZNO-LLVKDONJSA-N 1 0 256.340 3.449 20 10 CGCDRO CN(C)c1cc(F)c(C[NH2+]CCCC(F)F)cc1F ZINC001332319500 935459376 /nfs/dbraw/zinc/45/93/76/935459376.db2.gz VCRMKLHJTXNAAW-UHFFFAOYSA-N 1 0 278.293 3.166 20 10 CGCDRO C[N@H+](Cc1ccc(N)cc1)[C@H]1CCc2ccccc21 ZINC001336117962 936176747 /nfs/dbraw/zinc/17/67/47/936176747.db2.gz RURYIPFWDBPUMU-KRWDZBQOSA-N 1 0 252.361 3.388 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(N)cc1)c1ccc2c(c1)CCCO2 ZINC001336286572 936186308 /nfs/dbraw/zinc/18/63/08/936186308.db2.gz SRPFHYIKDRWTHW-CYBMUJFWSA-N 1 0 282.387 3.445 20 10 CGCDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(N)cc2)C12CCC2 ZINC001336286669 936186344 /nfs/dbraw/zinc/18/63/44/936186344.db2.gz UEXQUHHUPBRMGM-HZPDHXFCSA-N 1 0 274.408 3.048 20 10 CGCDRO COc1cc(C[NH2+][C@@H](C)c2ccccc2O)ccc1F ZINC001336918206 936227775 /nfs/dbraw/zinc/22/77/75/936227775.db2.gz JMWZHVDKKUFIGC-NSHDSACASA-N 1 0 275.323 3.391 20 10 CGCDRO CCC[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC001473858463 937825044 /nfs/dbraw/zinc/82/50/44/937825044.db2.gz NGUPJJOVABYLTJ-QGZVFWFLSA-N 1 0 288.435 3.288 20 10 CGCDRO CC(C)n1cc(C[NH2+]Cc2ccc3c(c2)CCCN3C)cn1 ZINC001473963778 937832855 /nfs/dbraw/zinc/83/28/55/937832855.db2.gz QQUVZNCDDHKDMH-UHFFFAOYSA-N 1 0 298.434 3.136 20 10 CGCDRO CC(C)C[C@H](CCO)C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC001474021060 937835952 /nfs/dbraw/zinc/83/59/52/937835952.db2.gz JQEHMVZQFIZOPW-HNNXBMFYSA-N 1 0 296.430 3.026 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc3[nH]cnc3c2)c1 ZINC001474196209 937843673 /nfs/dbraw/zinc/84/36/73/937843673.db2.gz NRRWXRNNQUPVLL-NSHDSACASA-N 1 0 297.358 3.128 20 10 CGCDRO CCCCC[N@@H+](C/C=C/c1ccc(N(C)C)cc1)CCO ZINC001474414274 937858373 /nfs/dbraw/zinc/85/83/73/937858373.db2.gz WEEKKGOYJTUXIF-BQYQJAHWSA-N 1 0 290.451 3.250 20 10 CGCDRO CC(C)c1ccc(O)c(C[N@@H+]2C[C@@H](C)N(C)C[C@@H]2C)c1 ZINC001474463641 937861284 /nfs/dbraw/zinc/86/12/84/937861284.db2.gz TVUQJKMMJKDSJS-KGLIPLIRSA-N 1 0 276.424 3.040 20 10 CGCDRO COc1cccc(C[NH2+][C@@H](C)c2cc3cnccc3o2)c1O ZINC001474500174 937863099 /nfs/dbraw/zinc/86/30/99/937863099.db2.gz BTYUTFUYWGLGKN-NSHDSACASA-N 1 0 298.342 3.393 20 10 CGCDRO Oc1cc(Cl)ccc1C[NH2+]CCC1SCCS1 ZINC001474644403 937872377 /nfs/dbraw/zinc/87/23/77/937872377.db2.gz QFDOZOODTZYULV-UHFFFAOYSA-N 1 0 289.853 3.331 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]C[C@@H]1C[C@H]1Cc1ccccc1 ZINC001474750882 937878765 /nfs/dbraw/zinc/87/87/65/937878765.db2.gz BIOANRMVXKEGAC-CABCVRRESA-N 1 0 285.362 3.500 20 10 CGCDRO CO[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC001560065253 938243238 /nfs/dbraw/zinc/24/32/38/938243238.db2.gz INTMISGCWUKFBJ-GOEBONIOSA-N 1 0 276.424 3.060 20 10 CGCDRO C[C@@H]1CC=CC[C@H]1[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001560616033 938265827 /nfs/dbraw/zinc/26/58/27/938265827.db2.gz LDKITQZNWUXQPJ-IAQYHMDHSA-N 1 0 280.362 3.475 20 10 CGCDRO Oc1cc(Cl)ccc1CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC001560695764 938270799 /nfs/dbraw/zinc/27/07/99/938270799.db2.gz SZGRLKPUGUUWNY-HNNXBMFYSA-N 1 0 294.826 3.106 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+][C@H](CCO)c2ccco2)c1 ZINC001560779829 938275445 /nfs/dbraw/zinc/27/54/45/938275445.db2.gz YNBHRQIJYXBOAS-OAHLLOKOSA-N 1 0 289.375 3.322 20 10 CGCDRO COc1cc(C)cc(C[NH2+]C[C@@H]2C[C@@H]2[C@H]2C[C@H]2C)c1O ZINC001561008138 938289144 /nfs/dbraw/zinc/28/91/44/938289144.db2.gz QNQRIVVKGBPOIU-DHMWGJHJSA-N 1 0 275.392 3.091 20 10 CGCDRO CC[C@@H]1CC[C@@H]1[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001561039737 938291260 /nfs/dbraw/zinc/29/12/60/938291260.db2.gz ABQXUCCYNBONLU-FHLIZLRMSA-N 1 0 289.467 3.134 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CCO[C@H](C(C)(C)C)CC2)c1 ZINC001561052313 938291966 /nfs/dbraw/zinc/29/19/66/938291966.db2.gz YDLITLQPQNNWRT-INIZCTEOSA-N 1 0 293.407 3.038 20 10 CGCDRO CC1(C)OCc2cc(C[NH2+]Cc3ccc(N)cc3)ccc2O1 ZINC001576494865 962467933 /nfs/dbraw/zinc/46/79/33/962467933.db2.gz GUYMWYUVVSVQIV-UHFFFAOYSA-N 1 0 298.386 3.204 20 10 CGCDRO CCc1ccc(N(CC2CC2)C(=O)C2=CC[C@H]([NH3+])C2)cc1 ZINC001578260889 962582599 /nfs/dbraw/zinc/58/25/99/962582599.db2.gz GOUDKDSXOUBKEE-INIZCTEOSA-N 1 0 284.403 3.040 20 10 CGCDRO Cc1ccc(O[C@@H](C)C[NH2+]Cc2ccc(N)cc2)cc1 ZINC001579723579 962660424 /nfs/dbraw/zinc/66/04/24/962660424.db2.gz PFHMYUUQLUXNDR-AWEZNQCLSA-N 1 0 270.376 3.134 20 10 CGCDRO CC[C@H]([NH2+]CCOCC1CC1)c1ccc(C)cc1O ZINC000279987264 522593766 /nfs/dbraw/zinc/59/37/66/522593766.db2.gz FDBJGWWBVJVBPW-HNNXBMFYSA-N 1 0 263.381 3.168 20 10 CGCDRO Oc1cc(Br)ccc1C[NH2+][C@]12C[C@H]1CCC2 ZINC000691441957 799784112 /nfs/dbraw/zinc/78/41/12/799784112.db2.gz ZMGWOUBMCOBRBN-ZWNOBZJWSA-N 1 0 282.181 3.187 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CCc3sccc3C2)c1O ZINC000124285573 370923128 /nfs/dbraw/zinc/92/31/28/370923128.db2.gz MPCDGSHIWLYLBU-UHFFFAOYSA-N 1 0 289.400 3.411 20 10 CGCDRO COc1cccc(C[NH2+][C@H](C)c2ccccc2)c1O ZINC000019878323 368774476 /nfs/dbraw/zinc/77/44/76/368774476.db2.gz BMBGPGQJCYSEHF-GFCCVEGCSA-N 1 0 257.333 3.252 20 10 CGCDRO CC[NH2+][C@@H](CC)c1cc(Br)ccc1O ZINC000019433527 368752589 /nfs/dbraw/zinc/75/25/89/368752589.db2.gz WVCXEGSQPQDSSG-JTQLQIEISA-N 1 0 258.159 3.215 20 10 CGCDRO CN(C)C(C)(C)C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000020125975 368805080 /nfs/dbraw/zinc/80/50/80/368805080.db2.gz DQJIPIRBMSOTGC-UHFFFAOYSA-N 1 0 289.467 3.107 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCc3c2cnn3C)c(O)c1 ZINC000037087191 369060385 /nfs/dbraw/zinc/06/03/85/369060385.db2.gz YGNSRBKQTKKKEC-DOMZBBRYSA-N 1 0 285.391 3.162 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2cnn(C)c2C)cc1 ZINC000090888189 370071396 /nfs/dbraw/zinc/07/13/96/370071396.db2.gz DDVVVDWIMKTZAY-CYBMUJFWSA-N 1 0 286.423 3.035 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)C[C@@H]1n1ccnc1 ZINC000091959660 370083647 /nfs/dbraw/zinc/08/36/47/370083647.db2.gz OCJJORYFYOMFEH-QAPCUYQASA-N 1 0 298.434 3.032 20 10 CGCDRO Cc1cc(O)c(CN2CCC[C@@H]([NH+]3CCCC3)C2)cc1C ZINC000092046835 370089587 /nfs/dbraw/zinc/08/95/87/370089587.db2.gz NGVHNHYZUDZGMF-QGZVFWFLSA-N 1 0 288.435 3.069 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCc2ccccn2)cc1 ZINC000151394043 371599149 /nfs/dbraw/zinc/59/91/49/371599149.db2.gz IUHOHUHUONPJNE-HNNXBMFYSA-N 1 0 283.419 3.431 20 10 CGCDRO Oc1ccc(F)cc1C[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000290953950 372082512 /nfs/dbraw/zinc/08/25/12/372082512.db2.gz QXDNEJTWJUDTCK-HOTGVXAUSA-N 1 0 291.366 3.065 20 10 CGCDRO CCc1nc(C)c(C[NH2+][C@@H](C)c2ccccc2O)o1 ZINC000292021948 372180069 /nfs/dbraw/zinc/18/00/69/372180069.db2.gz ZXTNVBDIVONLOI-JTQLQIEISA-N 1 0 260.337 3.102 20 10 CGCDRO CCC[C@@]1(CO)CC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000293531642 372405443 /nfs/dbraw/zinc/40/54/43/372405443.db2.gz JLFLEJFBKJCHSE-GOSISDBHSA-N 1 0 290.451 3.046 20 10 CGCDRO CC[C@@H]([NH2+]CCC1(OC)CCC1)c1ccccc1O ZINC000293725221 372463293 /nfs/dbraw/zinc/46/32/93/372463293.db2.gz GBENMRWHXDIABE-CQSZACIVSA-N 1 0 263.381 3.392 20 10 CGCDRO Cc1nnsc1C[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000293751144 372469926 /nfs/dbraw/zinc/46/99/26/372469926.db2.gz RIYVZPNJPFARCT-JTQLQIEISA-N 1 0 277.393 3.020 20 10 CGCDRO Cc1cccc(C[NH2+]C[C@H](O)c2ccc(Cl)cc2)c1O ZINC000294009140 372553429 /nfs/dbraw/zinc/55/34/29/372553429.db2.gz UBQPEQUZEDPRST-HNNXBMFYSA-N 1 0 291.778 3.177 20 10 CGCDRO CC[C@H](C)[C@H](C[NH2+][C@H](C)c1cc(OC)ccc1O)OC ZINC000294227910 372620448 /nfs/dbraw/zinc/62/04/48/372620448.db2.gz NZUXHUZPFAIGEO-OZVIIMIRSA-N 1 0 281.396 3.113 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCCc2ncccc2C)cc1C ZINC000294702437 372667399 /nfs/dbraw/zinc/66/73/99/372667399.db2.gz BHXRKVITBMFJJZ-UHFFFAOYSA-N 1 0 284.403 3.435 20 10 CGCDRO CCCOc1ccc(C[NH2+]CCC(C)(F)F)c(O)c1 ZINC000295970566 372979663 /nfs/dbraw/zinc/97/96/63/372979663.db2.gz IOKURTAROQPSNZ-UHFFFAOYSA-N 1 0 273.323 3.316 20 10 CGCDRO C[C@H](CCCO)C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000296376466 373111301 /nfs/dbraw/zinc/11/13/01/373111301.db2.gz JKVYUGNAHVIMRA-KGLIPLIRSA-N 1 0 291.435 3.330 20 10 CGCDRO COc1cccc(C[N@@H+]2CCC[C@@H]2c2cccn2C)c1O ZINC000179708020 373907480 /nfs/dbraw/zinc/90/74/80/373907480.db2.gz UAQZASQAEFDEMX-OAHLLOKOSA-N 1 0 286.375 3.076 20 10 CGCDRO C[C@@H]([NH2+]CCc1ccc2c(c1)CCO2)c1ccccc1O ZINC000179891854 373936960 /nfs/dbraw/zinc/93/69/60/373936960.db2.gz BLCYROGIYIFTMH-CYBMUJFWSA-N 1 0 283.371 3.220 20 10 CGCDRO CSC[C@@H]1CCC[N@@H+]1Cc1cccc(C)c1O ZINC000180534667 374018538 /nfs/dbraw/zinc/01/85/38/374018538.db2.gz QWDJMUCIIBHFDB-ZDUSSCGKSA-N 1 0 251.395 3.028 20 10 CGCDRO Cc1ccc([C@H]2COCCN2Cc2cc(F)ccc2O)o1 ZINC000180166512 373971624 /nfs/dbraw/zinc/97/16/24/373971624.db2.gz NCSDXCNEBCYQFV-CQSZACIVSA-N 1 0 291.322 3.006 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+](C)C[C@@H](C)c2nccs2)c1 ZINC000183259331 374392975 /nfs/dbraw/zinc/39/29/75/374392975.db2.gz KFQYZKRHAQUAJE-GFCCVEGCSA-N 1 0 276.405 3.393 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCCOCC1)c1ccc(N(C)C)cc1 ZINC000183343265 374403488 /nfs/dbraw/zinc/40/34/88/374403488.db2.gz IAXDKTPOYDOWMJ-RDJZCZTQSA-N 1 0 276.424 3.362 20 10 CGCDRO COC1CCC([NH2+]Cc2ccc(N3CCCC3)cc2)CC1 ZINC000183349623 374403690 /nfs/dbraw/zinc/40/36/90/374403690.db2.gz QCELBMZSHMKBLY-UHFFFAOYSA-N 1 0 288.435 3.334 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CCO[C@]2(CCSC2)C1)c1ccccc1O ZINC000183622145 374434313 /nfs/dbraw/zinc/43/43/13/374434313.db2.gz FUSPAUQZVVUQBV-DVOMOZLQSA-N 1 0 293.432 3.098 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)OCCCO2)c1ccccc1O ZINC000183486259 374417438 /nfs/dbraw/zinc/41/74/38/374417438.db2.gz DNXZCNIRQWUUMY-CYBMUJFWSA-N 1 0 299.370 3.404 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)Cc1ccc(O)cc1)c1ccccc1O ZINC000183493432 374420054 /nfs/dbraw/zinc/42/00/54/374420054.db2.gz CPNQMHQUEQYZQF-QWHCGFSZSA-N 1 0 271.360 3.380 20 10 CGCDRO CC[C@@H](C[NH2+][C@@H](C)c1cc(C)ccc1O)N1CCCC1 ZINC000184990652 374575279 /nfs/dbraw/zinc/57/52/79/374575279.db2.gz YKDJWIFCZKLGIE-GJZGRUSLSA-N 1 0 276.424 3.226 20 10 CGCDRO COc1ccc(F)cc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000189212545 375342478 /nfs/dbraw/zinc/34/24/78/375342478.db2.gz PQXDUMDLDIIFGV-UHFFFAOYSA-N 1 0 287.334 3.059 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1CC[C@H](O)C1)c1cc2c(cc1O)CCCC2 ZINC000189304194 375360818 /nfs/dbraw/zinc/36/08/18/375360818.db2.gz GQFHZTNQXQJEJA-XEZPLFJOSA-N 1 0 289.419 3.083 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CC[C@@](C)(O)c2ccccc2)cc1 ZINC000189833533 375450917 /nfs/dbraw/zinc/45/09/17/375450917.db2.gz ZDNDFFPZDWJLQA-LJQANCHMSA-N 1 0 298.430 3.140 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCS[C@@H](C)CC2)c1 ZINC000190700374 375532548 /nfs/dbraw/zinc/53/25/48/375532548.db2.gz XOYSLEBYXGSNSC-LBPRGKRZSA-N 1 0 251.395 3.028 20 10 CGCDRO C[C@@H](O)[C@](C)(C[NH2+]Cc1ccccc1O)Cc1ccccc1 ZINC000191718292 375655851 /nfs/dbraw/zinc/65/58/51/375655851.db2.gz NWZXTLAGVWALDU-BEFAXECRSA-N 1 0 299.414 3.112 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)c1O ZINC000245637870 376872748 /nfs/dbraw/zinc/87/27/48/376872748.db2.gz CNTHNFPJOGWXFA-WFASDCNBSA-N 1 0 295.810 3.355 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2c[nH]nc2C)cc1 ZINC000271566514 378496988 /nfs/dbraw/zinc/49/69/88/378496988.db2.gz YOOLSGUOJXJLSV-GFCCVEGCSA-N 1 0 272.396 3.025 20 10 CGCDRO COc1ccc(C[N@H+](C)Cc2cccc(F)c2[O-])cc1 ZINC000272229057 378589929 /nfs/dbraw/zinc/58/99/29/378589929.db2.gz DKXMGMYJPKSZGE-UHFFFAOYSA-N 1 0 275.323 3.172 20 10 CGCDRO COc1ccc(C[NH2+][C@@]2(C)CCO[C@@H]2C2CC2)cc1C ZINC000273171924 378736978 /nfs/dbraw/zinc/73/69/78/378736978.db2.gz WBQNTOWBSIQXNW-SJORKVTESA-N 1 0 275.392 3.051 20 10 CGCDRO CC(C)[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc(F)ccc2O)CCO1 ZINC000273354382 378742576 /nfs/dbraw/zinc/74/25/76/378742576.db2.gz CHIVCOPXFDRKBH-GHJWDPDVSA-N 1 0 281.371 3.386 20 10 CGCDRO CCN1CCC([NH2+][C@H](C)c2cc(Cl)ccc2O)CC1 ZINC000273369869 378742725 /nfs/dbraw/zinc/74/27/25/378742725.db2.gz FURZWTXWLVUHOT-LLVKDONJSA-N 1 0 282.815 3.181 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N(C)C)nc2)c(O)c1C ZINC000273402583 378744359 /nfs/dbraw/zinc/74/43/59/378744359.db2.gz NNZKNFPSYZNSSW-CQSZACIVSA-N 1 0 299.418 3.321 20 10 CGCDRO C[C@H](CO)CCC[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000273475351 378747984 /nfs/dbraw/zinc/74/79/84/378747984.db2.gz KONAIGDVVUETPS-KBPBESRZSA-N 1 0 291.435 3.330 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCC[C@H](C)CO)c(O)c1C ZINC000273481217 378750603 /nfs/dbraw/zinc/75/06/03/378750603.db2.gz MDHUVHJYWIUNPJ-SMDDNHRTSA-N 1 0 265.397 3.068 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1cc(F)ccc1O ZINC000273519126 378751957 /nfs/dbraw/zinc/75/19/57/378751957.db2.gz TUBLVGJJNRTQAT-WCQYABFASA-N 1 0 279.355 3.284 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CC(C)(C)C[C@H](C)O)c(O)c1C ZINC000273542929 378752040 /nfs/dbraw/zinc/75/20/40/378752040.db2.gz YRTSIFDJWROPQV-JSGCOSHPSA-N 1 0 279.424 3.457 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CC2([C@@H](O)C(C)C)CC2)c1 ZINC000273538388 378752702 /nfs/dbraw/zinc/75/27/02/378752702.db2.gz XWHGGBVTNNOQIO-BBRMVZONSA-N 1 0 277.408 3.148 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc(CO)c2)c(O)c1C ZINC000273585288 378753777 /nfs/dbraw/zinc/75/37/77/378753777.db2.gz NSPYTGCNGPEKCA-AWEZNQCLSA-N 1 0 285.387 3.352 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1cnn(C)c1)c1cc2c(cc1O)CCCC2 ZINC000273583476 378754111 /nfs/dbraw/zinc/75/41/11/378754111.db2.gz NDLFUCAWXYLATF-QWHCGFSZSA-N 1 0 299.418 3.416 20 10 CGCDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccccc1O ZINC000272928456 378723917 /nfs/dbraw/zinc/72/39/17/378723917.db2.gz ZARZZRYUKFMMSC-GFCCVEGCSA-N 1 0 286.331 3.194 20 10 CGCDRO Cc1ccc([C@@H](O)C[NH2+][C@@H](C)c2cc(Cl)ccc2O)o1 ZINC000273592903 378756236 /nfs/dbraw/zinc/75/62/36/378756236.db2.gz PSJUTNCPQUUIKW-HZMBPMFUSA-N 1 0 295.766 3.331 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)[C@@H]1CCCCO1)c1ccccc1O ZINC000274812040 378900239 /nfs/dbraw/zinc/90/02/39/378900239.db2.gz YAOPAVDOQNJPJU-INWMFGNUSA-N 1 0 263.381 3.391 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2COc3ccc(C)cc32)c1 ZINC000373269057 379250086 /nfs/dbraw/zinc/25/00/86/379250086.db2.gz YKLCFPJSZVGRAB-LRDDRELGSA-N 1 0 299.370 3.494 20 10 CGCDRO [O-]c1c(Cl)cccc1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000376026413 379519220 /nfs/dbraw/zinc/51/92/20/379519220.db2.gz ACZVRXFEDDEGKP-UHFFFAOYSA-N 1 0 294.826 3.152 20 10 CGCDRO CCOc1cccc(C[NH2+]C[C@H]2CCC(F)(F)C2)c1O ZINC000281742359 379844803 /nfs/dbraw/zinc/84/48/03/379844803.db2.gz RQPORMZCLOYVCH-NSHDSACASA-N 1 0 285.334 3.316 20 10 CGCDRO CCCC[N@H+](CCCCOC)Cc1ccccc1O ZINC000282435517 379919347 /nfs/dbraw/zinc/91/93/47/379919347.db2.gz KNWPYLTZDAKRHU-UHFFFAOYSA-N 1 0 265.397 3.421 20 10 CGCDRO CCSCCC[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000282934938 380013589 /nfs/dbraw/zinc/01/35/89/380013589.db2.gz YPZUVBUGEKCMDY-JTQLQIEISA-N 1 0 257.374 3.325 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCC1(C)C)c1ccc(N2CCOCC2)cc1 ZINC000284419202 380139604 /nfs/dbraw/zinc/13/96/04/380139604.db2.gz QRYAYMQVJYSEBN-WMLDXEAASA-N 1 0 288.435 3.362 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CCCOC2)c(O)c1 ZINC000285379195 380148182 /nfs/dbraw/zinc/14/81/82/380148182.db2.gz WGJBNKZVKNOGGE-ZIAGYGMSSA-N 1 0 263.381 3.086 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]CC(C)(C)C[C@@H](C)O)c(O)c1 ZINC000285451625 380148477 /nfs/dbraw/zinc/14/84/77/380148477.db2.gz ZNBSXFOSUTUKLG-KGLIPLIRSA-N 1 0 279.424 3.457 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(F)cc1[O-] ZINC000285572354 380149986 /nfs/dbraw/zinc/14/99/86/380149986.db2.gz IBGAKMCRZXUSFV-MLGOLLRUSA-N 1 0 292.398 3.056 20 10 CGCDRO COc1cccc(C[NH2+]Cc2c(C)c3ccccc3n2C)n1 ZINC000355113769 380579810 /nfs/dbraw/zinc/57/98/10/380579810.db2.gz FSMOKRALMPZRBY-UHFFFAOYSA-N 1 0 295.386 3.180 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C[C@H]2COc3ccccc32)cc1 ZINC000288656709 542397802 /nfs/dbraw/zinc/39/78/02/542397802.db2.gz VNQBVDYHZQDXOM-HNNXBMFYSA-N 1 0 282.387 3.018 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)C2CCOCC2)c1 ZINC000185782308 262308553 /nfs/dbraw/zinc/30/85/53/262308553.db2.gz KUOZEGSHHSCKDJ-STQMWFEESA-N 1 0 263.381 3.166 20 10 CGCDRO CC[N@H+](Cc1ccccn1)Cc1cc(C)ccc1O ZINC000093338898 392238041 /nfs/dbraw/zinc/23/80/41/392238041.db2.gz LJPQKIVMKKJBOZ-UHFFFAOYSA-N 1 0 256.349 3.118 20 10 CGCDRO CCOCC(C)(C)C[NH2+][C@H](C)c1cc(C)ccc1O ZINC000290517392 392449316 /nfs/dbraw/zinc/44/93/16/392449316.db2.gz YRLWZSKAHFNSFJ-CYBMUJFWSA-N 1 0 265.397 3.414 20 10 CGCDRO CCOc1cccc(C[N@H+](C)CC(C)(C)C)c1O ZINC000133376005 392463193 /nfs/dbraw/zinc/46/31/93/392463193.db2.gz OVWNZRNQZLLOBE-UHFFFAOYSA-N 1 0 251.370 3.269 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1CCOC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000287462216 392399180 /nfs/dbraw/zinc/39/91/80/392399180.db2.gz LZHLXNTZWYNBPA-DZKIICNBSA-N 1 0 276.424 3.076 20 10 CGCDRO CC[C@@H]([NH2+]C[C@](C)(O)c1ccccc1)c1ccccc1O ZINC000121100472 392408619 /nfs/dbraw/zinc/40/86/19/392408619.db2.gz KLPYWKVCSCKDRQ-AEFFLSMTSA-N 1 0 285.387 3.341 20 10 CGCDRO CCn1cc([C@@H](C)[NH2+]Cc2ccc(N3CCCC3)cc2)cn1 ZINC000177973359 392670209 /nfs/dbraw/zinc/67/02/09/392670209.db2.gz LTSAMWDABRRALD-OAHLLOKOSA-N 1 0 298.434 3.354 20 10 CGCDRO Oc1ccccc1C[NH+]1CCC2(CC1)OCc1ccccc12 ZINC000374884695 392714133 /nfs/dbraw/zinc/71/41/33/392714133.db2.gz WMNMSZKZFJKLSA-UHFFFAOYSA-N 1 0 295.382 3.414 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CN(C3CC3)C[C@@H]2C)c(O)c1C ZINC000273583701 292247898 /nfs/dbraw/zinc/24/78/98/292247898.db2.gz NGETXKGCXGRCCG-RVSPLBMKSA-N 1 0 288.435 3.142 20 10 CGCDRO CCOc1cccc(C[NH2+]CCc2ccc(F)cc2)c1O ZINC000019904077 170916035 /nfs/dbraw/zinc/91/60/35/170916035.db2.gz GWNVXIQBJFEKAI-UHFFFAOYSA-N 1 0 289.350 3.262 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](C(C)C)N2CCCC2)c1 ZINC000035628948 172308063 /nfs/dbraw/zinc/30/80/63/172308063.db2.gz UQBINMRJQUBRSZ-RDJZCZTQSA-N 1 0 290.451 3.472 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C2Cc3ccccc3C2)cc1 ZINC000035658053 172333286 /nfs/dbraw/zinc/33/32/86/172333286.db2.gz AXPLCGURMRVQHA-UHFFFAOYSA-N 1 0 266.388 3.010 20 10 CGCDRO Fc1cccc(C[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000037362973 173151565 /nfs/dbraw/zinc/15/15/65/173151565.db2.gz LOBNPOLVYVNJFX-UHFFFAOYSA-N 1 0 257.308 3.050 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2nc(C)cs2)c1 ZINC000038090670 174104013 /nfs/dbraw/zinc/10/40/13/174104013.db2.gz MSJIWOIXLCZQIJ-JTQLQIEISA-N 1 0 278.377 3.017 20 10 CGCDRO c1ccc2c(c1)NCCCN2Cc1cccc2c1CC[NH2+]C2 ZINC000662274224 419383339 /nfs/dbraw/zinc/38/33/39/419383339.db2.gz GAPYYSGBVSEJDB-UHFFFAOYSA-N 1 0 293.414 3.155 20 10 CGCDRO COc1cccc(C[NH2+]CC2(c3ccccn3)CCC2)c1O ZINC000367596164 261209273 /nfs/dbraw/zinc/20/92/73/261209273.db2.gz FCYHCUFJHNOAOW-UHFFFAOYSA-N 1 0 298.386 3.007 20 10 CGCDRO CC[C@@H]([NH2+][C@H](C)c1cnn(C)c1)c1ccc(N(C)C)cc1 ZINC000163890887 261333780 /nfs/dbraw/zinc/33/37/80/261333780.db2.gz KEAWBXBTXAPNNU-CXAGYDPISA-N 1 0 286.423 3.288 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H](CC)CCO)c1ccc(N(C)C)cc1 ZINC000166797618 261393056 /nfs/dbraw/zinc/39/30/56/261393056.db2.gz DOPVEZJWGLVJRK-WMLDXEAASA-N 1 0 278.440 3.202 20 10 CGCDRO CC[C@H]([NH2+]CCCCCCO)c1ccc(N(C)C)cc1 ZINC000182148410 261926231 /nfs/dbraw/zinc/92/62/31/261926231.db2.gz RMOBCKBLJCAHBI-KRWDZBQOSA-N 1 0 278.440 3.346 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C2CCC3(CC2)OCCO3)c(O)c1 ZINC000185052535 262039116 /nfs/dbraw/zinc/03/91/16/262039116.db2.gz LWWWCJNIILJSEC-CYBMUJFWSA-N 1 0 291.391 3.037 20 10 CGCDRO CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(Cl)ccc2O)C1 ZINC000185112219 262042090 /nfs/dbraw/zinc/04/20/90/262042090.db2.gz WAVAKRBVLNVCMD-STQMWFEESA-N 1 0 296.842 3.428 20 10 CGCDRO COCC[C@@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000185290312 262049019 /nfs/dbraw/zinc/04/90/19/262049019.db2.gz SJTYNCHNNDGDMT-ZJUUUORDSA-N 1 0 257.761 3.121 20 10 CGCDRO C[C@@H]([NH2+]CCCc1cnn(C)c1)c1cc(Cl)ccc1O ZINC000185313005 262050106 /nfs/dbraw/zinc/05/01/06/262050106.db2.gz PQRFYKCRFKCWTM-LLVKDONJSA-N 1 0 293.798 3.063 20 10 CGCDRO COC(C)(C)C[C@H](C)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000185565123 262060031 /nfs/dbraw/zinc/06/00/31/262060031.db2.gz HHKVVWDEQNPOPO-WDEREUQCSA-N 1 0 269.360 3.386 20 10 CGCDRO CC[C@@H]([NH2+]CCOC(C)C)c1ccc(N(C)C)cc1 ZINC000186639356 262103229 /nfs/dbraw/zinc/10/32/29/262103229.db2.gz ZQYJXQMEBQIVPA-MRXNPFEDSA-N 1 0 264.413 3.218 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)cc1F ZINC000284957755 263088720 /nfs/dbraw/zinc/08/87/20/263088720.db2.gz HUEILDGFIGWQGJ-IAGOWNOFSA-N 1 0 292.398 3.035 20 10 CGCDRO CCOC[C@H]([NH2+][C@@H](CC)c1ccccc1O)C(C)C ZINC000189345715 264292182 /nfs/dbraw/zinc/29/21/82/264292182.db2.gz YAMYAUZDNOYZSW-GJZGRUSLSA-N 1 0 265.397 3.494 20 10 CGCDRO CCOC[C@H]([NH2+][C@H](C)c1cc(C)ccc1O)C(C)C ZINC000189357050 264293928 /nfs/dbraw/zinc/29/39/28/264293928.db2.gz HFZHYQDIZFHTDM-HIFRSBDPSA-N 1 0 265.397 3.412 20 10 CGCDRO CC[C@@H](CO)[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000294372369 265013851 /nfs/dbraw/zinc/01/38/51/265013851.db2.gz RACDKDRFEUBGQK-FUHWJXTLSA-N 1 0 299.414 3.427 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CCCC[C@@H](COC)C2)c1O ZINC000368661312 267194980 /nfs/dbraw/zinc/19/49/80/267194980.db2.gz VJRWDOJTKRSBSR-CQSZACIVSA-N 1 0 293.407 3.039 20 10 CGCDRO COCC[C@@H]1CCCC[N@H+](Cc2cccc(C)c2O)C1 ZINC000368677120 267197599 /nfs/dbraw/zinc/19/75/99/267197599.db2.gz QCSQXGNFPWYQFM-HNNXBMFYSA-N 1 0 277.408 3.339 20 10 CGCDRO Cc1cccc(C[NH+]2CCC(OCC3CC3)CC2)c1O ZINC000373232180 267652621 /nfs/dbraw/zinc/65/26/21/267652621.db2.gz UQOKQTBRQKVBBN-UHFFFAOYSA-N 1 0 275.392 3.092 20 10 CGCDRO COc1cccc(CC[NH2+]Cc2cc(C)ccc2O)c1 ZINC000113322867 327786231 /nfs/dbraw/zinc/78/62/31/327786231.db2.gz WNGPPRLLWACQIV-UHFFFAOYSA-N 1 0 271.360 3.042 20 10 CGCDRO CCc1nc(C)c(C[NH2+][C@H](C)c2cc(F)ccc2O)o1 ZINC000291855747 328124818 /nfs/dbraw/zinc/12/48/18/328124818.db2.gz HDYQXHKPBLKYCU-SECBINFHSA-N 1 0 278.327 3.241 20 10 CGCDRO COC(C)(C)C[C@@H](C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000266128331 328167879 /nfs/dbraw/zinc/16/78/79/328167879.db2.gz CDYCHMXVVOOKFO-GFCCVEGCSA-N 1 0 282.403 3.185 20 10 CGCDRO Cc1ccc(O)c(C[N@H+]2CCCCC[C@H]2C[C@@H](C)O)c1 ZINC000289947581 328256973 /nfs/dbraw/zinc/25/69/73/328256973.db2.gz YMRVTEIYQWWVKT-ZBFHGGJFSA-N 1 0 277.408 3.216 20 10 CGCDRO C[C@@H]1Oc2ccccc2[C@@H]1[NH2+]Cc1cc(F)ccc1O ZINC000290243040 328258611 /nfs/dbraw/zinc/25/86/11/328258611.db2.gz UVAAZSJSJBWXGE-MGPLVRAMSA-N 1 0 273.307 3.143 20 10 CGCDRO CCOc1cccc(C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)c1O ZINC000403391463 327331371 /nfs/dbraw/zinc/33/13/71/327331371.db2.gz QIUKSEXQOARGOC-VNHYZAJKSA-N 1 0 275.392 3.317 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CC[C@@H](C)CCO)cc1 ZINC000295054368 327601156 /nfs/dbraw/zinc/60/11/56/327601156.db2.gz FZDMMGIIHIPGSJ-OAHLLOKOSA-N 1 0 278.440 3.031 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]Cc2cnc3n2CCCC3)c(O)c1 ZINC000375270595 329002526 /nfs/dbraw/zinc/00/25/26/329002526.db2.gz VXJGJYBGDDBREE-ZDUSSCGKSA-N 1 0 285.391 3.084 20 10 CGCDRO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2ccccc2O)n1 ZINC000179576017 329209817 /nfs/dbraw/zinc/20/98/17/329209817.db2.gz DCPMCBMDNJAYQJ-INIZCTEOSA-N 1 0 268.360 3.433 20 10 CGCDRO COc1cccc2c1OC[C@H]([NH2+][C@H](C)c1ccccc1O)C2 ZINC000183488513 329247923 /nfs/dbraw/zinc/24/79/23/329247923.db2.gz MQROFSHDLDPVOA-TZMCWYRMSA-N 1 0 299.370 3.055 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3ccccn3)C2)c(O)c1 ZINC000186171892 329338857 /nfs/dbraw/zinc/33/88/57/329338857.db2.gz CABKQQRUNCRVGG-HUUCEWRRSA-N 1 0 297.402 3.025 20 10 CGCDRO Cc1c2ccccc2n(C)c1CN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423084286 330168872 /nfs/dbraw/zinc/16/88/72/330168872.db2.gz HLRKAPHDLCEBGP-ZBFHGGJFSA-N 1 0 285.435 3.107 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CC[C@@H]2CCCOC2)c(O)c1 ZINC000527924156 330296168 /nfs/dbraw/zinc/29/61/68/330296168.db2.gz HIQRPZCKVKVNPM-CABCVRRESA-N 1 0 277.408 3.476 20 10 CGCDRO CCO[C@@]1(C)C[C@H]1[NH2+][C@H](CC)c1ccc(C)cc1O ZINC000527980543 330298145 /nfs/dbraw/zinc/29/81/45/330298145.db2.gz QDPQTECYKFYVOB-BMFZPTHFSA-N 1 0 263.381 3.309 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCOC(C)(C)C2)c1 ZINC000159955017 330855064 /nfs/dbraw/zinc/85/50/64/330855064.db2.gz GRGPZDXTMGZMSR-STQMWFEESA-N 1 0 263.381 3.309 20 10 CGCDRO Oc1ccccc1C[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC000167384696 331308168 /nfs/dbraw/zinc/30/81/68/331308168.db2.gz AIKIZDWSYHAZNW-UHFFFAOYSA-N 1 0 289.762 3.270 20 10 CGCDRO COc1cccc(C[NH2+]CCCCCCSC)c1O ZINC000230149561 333314851 /nfs/dbraw/zinc/31/48/51/333314851.db2.gz MOCPFSKIAIDVQI-UHFFFAOYSA-N 1 0 283.437 3.414 20 10 CGCDRO C[C@@H]([NH2+]C[C@H](O)C(F)(F)F)c1ccc2ccccc2c1O ZINC000230659266 333319785 /nfs/dbraw/zinc/31/97/85/333319785.db2.gz UWYGDNGNMYZJQR-RNCFNFMXSA-N 1 0 299.292 3.119 20 10 CGCDRO CC(C)COCCC[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000094616951 519754123 /nfs/dbraw/zinc/75/41/23/519754123.db2.gz KFOJCWZUXVAINO-LBPRGKRZSA-N 1 0 269.360 3.245 20 10 CGCDRO CCOCc1cc(C[NH2+][C@@H](C)CC)ccc1OC ZINC000264523342 520185753 /nfs/dbraw/zinc/18/57/53/520185753.db2.gz BKISGXHYIUHFMX-LBPRGKRZSA-N 1 0 251.370 3.120 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2cc(C)no2)cc1 ZINC000125531888 520284399 /nfs/dbraw/zinc/28/43/99/520284399.db2.gz RBILNQVLDJWKJW-CYBMUJFWSA-N 1 0 273.380 3.290 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCOC2)cc1 ZINC000268921902 520290074 /nfs/dbraw/zinc/29/00/74/520290074.db2.gz VBAVBFNCTJQIAF-SQWLQELKSA-N 1 0 276.424 3.218 20 10 CGCDRO CCC[C@@H]([NH2+]Cc1ccccc1O)[C@H](O)c1ccccc1 ZINC000279712702 520781910 /nfs/dbraw/zinc/78/19/10/520781910.db2.gz SUBVGQDDPNUIBE-SJLPKXTDSA-N 1 0 285.387 3.384 20 10 CGCDRO CCOc1ccc(O)c(C[N@H+](C)CCC2CCOCC2)c1 ZINC000129685108 521139608 /nfs/dbraw/zinc/13/96/08/521139608.db2.gz VETARHASGREHCX-UHFFFAOYSA-N 1 0 293.407 3.039 20 10 CGCDRO CCCc1nc(C)c(C[NH2+]Cc2cccc(C)c2O)o1 ZINC000292745736 521497664 /nfs/dbraw/zinc/49/76/64/521497664.db2.gz HXVOBRMNSPQEAX-UHFFFAOYSA-N 1 0 274.364 3.239 20 10 CGCDRO CCC[N@H+](Cc1ccccc1O)[C@H](C)c1nnc(C)o1 ZINC000076074290 521690856 /nfs/dbraw/zinc/69/08/56/521690856.db2.gz JWEDEGMSCQYJSV-LLVKDONJSA-N 1 0 275.352 3.057 20 10 CGCDRO COC[C@@H]1CC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000096832847 522474973 /nfs/dbraw/zinc/47/49/73/522474973.db2.gz HEWHACZVEIGFFZ-CYBMUJFWSA-N 1 0 271.360 3.014 20 10 CGCDRO CC[C@H]([NH2+]CC[C@@H](C)CCO)c1ccc(C)cc1O ZINC000297368550 522597293 /nfs/dbraw/zinc/59/72/93/522597293.db2.gz QHUZRXWPIRSBQU-DOMZBBRYSA-N 1 0 265.397 3.150 20 10 CGCDRO CC[C@@H](CSC)[N@H+](C)Cc1cc(C)ccc1O ZINC000290372016 522604531 /nfs/dbraw/zinc/60/45/31/522604531.db2.gz HLXCSVRDGMYORQ-ZDUSSCGKSA-N 1 0 253.411 3.274 20 10 CGCDRO CC[C@H]([NH2+]C[C@H](C)COC)c1ccc(C)cc1O ZINC000280011207 522624219 /nfs/dbraw/zinc/62/42/19/522624219.db2.gz GSLQOXSMIQEPQE-JSGCOSHPSA-N 1 0 251.370 3.024 20 10 CGCDRO CC[C@H]([NH2+]C[C@](C)(OC)C1CC1)c1ccccc1O ZINC000291226143 522639465 /nfs/dbraw/zinc/63/94/65/522639465.db2.gz NUHWIMYASPPBJW-HOCLYGCPSA-N 1 0 263.381 3.248 20 10 CGCDRO CC[C@H]([NH2+][C@@H](CO)c1ccccc1)c1ccccc1O ZINC000062999194 522708659 /nfs/dbraw/zinc/70/86/59/522708659.db2.gz HHUXVHHVTSCTCT-HOTGVXAUSA-N 1 0 271.360 3.167 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CN(C2CC2)C[C@@H]1C)c1ccc(C)cc1O ZINC000279935201 522759952 /nfs/dbraw/zinc/75/99/52/522759952.db2.gz AXGNEEIQZALCNT-JQFCIGGWSA-N 1 0 288.435 3.224 20 10 CGCDRO CC[C@@H]([NH2+]CC1(CCO)CCCC1)c1ccccc1O ZINC000274962943 522819432 /nfs/dbraw/zinc/81/94/32/522819432.db2.gz WXQJRVNKWUYLGR-OAHLLOKOSA-N 1 0 277.408 3.376 20 10 CGCDRO CC[C@@H]([NH2+]CCC(=O)N[C@@H](C)CC)c1ccc(C)cc1O ZINC000280187027 522823117 /nfs/dbraw/zinc/82/31/17/522823117.db2.gz SADZCTRHXNINOR-DZGCQCFKSA-N 1 0 292.423 3.046 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cccnc1OC)c1ccc(C)cc1O ZINC000279970161 522887165 /nfs/dbraw/zinc/88/71/65/522887165.db2.gz CYPMWWKRTVUXOA-OAHLLOKOSA-N 1 0 286.375 3.345 20 10 CGCDRO COCC1(C[NH2+]Cc2cc(OC)ccc2O)CCCCC1 ZINC000290862422 522899596 /nfs/dbraw/zinc/89/95/96/522899596.db2.gz JTRAIUMFSZALQP-UHFFFAOYSA-N 1 0 293.407 3.087 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1O)c1ccc(C)cc1O ZINC000280263981 522923914 /nfs/dbraw/zinc/92/39/14/522923914.db2.gz XKLRZDNWQZMNCL-RBSFLKMASA-N 1 0 263.381 3.045 20 10 CGCDRO CC[C@@H]([NH2+][C@H](C)CSC)c1ccc(C)cc1O ZINC000280175773 522933590 /nfs/dbraw/zinc/93/35/90/522933590.db2.gz RJILOAIQTCDEEY-DGCLKSJQSA-N 1 0 253.411 3.493 20 10 CGCDRO COCCCC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000044656485 523173861 /nfs/dbraw/zinc/17/38/61/523173861.db2.gz WJLUTQJVNYJCES-UHFFFAOYSA-N 1 0 276.424 3.193 20 10 CGCDRO CO[C@@]1(C)CCC[N@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000279727117 523807131 /nfs/dbraw/zinc/80/71/31/523807131.db2.gz VJHVIJWDGLYCHC-INIZCTEOSA-N 1 0 263.381 3.010 20 10 CGCDRO Cc1cccc(C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1O ZINC000290947595 524386321 /nfs/dbraw/zinc/38/63/21/524386321.db2.gz QJAOXEGVLKMTRQ-NVXWUHKLSA-N 1 0 287.403 3.234 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CC3(CCC3)[C@H]2C2CC2)c1 ZINC000291654373 524738925 /nfs/dbraw/zinc/73/89/25/524738925.db2.gz UWKVEHDRHLSNBB-MRXNPFEDSA-N 1 0 273.376 3.165 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CC=CCC2)c1 ZINC000045628729 524764296 /nfs/dbraw/zinc/76/42/96/524764296.db2.gz DMYGLLDSSRIKLS-CHWSQXEVSA-N 1 0 261.365 3.408 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)CC(C)C)c1 ZINC000037261110 524767005 /nfs/dbraw/zinc/76/70/05/524767005.db2.gz UVQZTHCUSADCLH-NWDGAFQWSA-N 1 0 251.370 3.486 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CCOC[C@H]2C)c1O ZINC000289842844 524869983 /nfs/dbraw/zinc/86/99/83/524869983.db2.gz URECFNRBELWDKR-NEPJUHHUSA-N 1 0 283.799 3.116 20 10 CGCDRO CSC(C)(C)C[NH2+]Cc1c(O)cccc1Cl ZINC000128208628 525290054 /nfs/dbraw/zinc/29/00/54/525290054.db2.gz UPOUGNIUHDTJRG-UHFFFAOYSA-N 1 0 259.802 3.277 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](C(C)C)C(C)(C)O)c1 ZINC000276980561 525361814 /nfs/dbraw/zinc/36/18/14/525361814.db2.gz ZBJVJPSLGSLTLJ-DOMZBBRYSA-N 1 0 265.397 3.147 20 10 CGCDRO COc1cccc(C[NH2+]CCc2ccc(F)cc2C)c1O ZINC000094950705 526015728 /nfs/dbraw/zinc/01/57/28/526015728.db2.gz XONSTRLTPXLQHY-UHFFFAOYSA-N 1 0 289.350 3.181 20 10 CGCDRO Oc1ccc(F)cc1C[N@@H+]1CCCc2occc2C1 ZINC000290269628 526348269 /nfs/dbraw/zinc/34/82/69/526348269.db2.gz XTBBQHRBZWHIPE-UHFFFAOYSA-N 1 0 261.296 3.073 20 10 CGCDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000278315707 526348474 /nfs/dbraw/zinc/34/84/74/526348474.db2.gz FNQIVBVFGLTPOG-VIFPVBQESA-N 1 0 277.261 3.306 20 10 CGCDRO OCCC[C@@H]([NH2+][C@H]1CCc2cccc(O)c21)c1ccccc1 ZINC000297760208 527543766 /nfs/dbraw/zinc/54/37/66/527543766.db2.gz OTSRLVZDGTWFEI-SJORKVTESA-N 1 0 297.398 3.483 20 10 CGCDRO OCC[C@H](C[NH2+][C@H]1CCc2cccc(O)c21)c1ccccc1 ZINC000297719139 527566941 /nfs/dbraw/zinc/56/69/41/527566941.db2.gz NBGYPTBHZOBYPJ-SJORKVTESA-N 1 0 297.398 3.135 20 10 CGCDRO Cc1cc(C[NH2+][C@H](C)CCO)c(C)n1-c1cccc(C)c1 ZINC000738436272 571749304 /nfs/dbraw/zinc/74/93/04/571749304.db2.gz PCOXBPGLRFWWJE-CQSZACIVSA-N 1 0 286.419 3.263 20 10 CGCDRO Cn1cc([C@@H]([NH2+]Cc2ccccc2O)C(C)(C)C)cn1 ZINC000748246349 571673972 /nfs/dbraw/zinc/67/39/72/571673972.db2.gz MVQFOWLLILPSMU-OAHLLOKOSA-N 1 0 273.380 3.003 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCCO[C@@H](C)C2)cc1C(C)C ZINC000738161068 572365658 /nfs/dbraw/zinc/36/56/58/572365658.db2.gz LTBXPWIJUMGCJJ-AWEZNQCLSA-N 1 0 277.408 3.435 20 10 CGCDRO CC(C)[C@H]1CN(C)CC[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC000738285942 572369496 /nfs/dbraw/zinc/36/94/96/572369496.db2.gz RBSAPQWODLIYIA-GOSISDBHSA-N 1 0 298.430 3.317 20 10 CGCDRO COc1ccc(C2([NH2+]Cc3ccc4c(c3)CCO4)CC2)cc1 ZINC000731679046 572423559 /nfs/dbraw/zinc/42/35/59/572423559.db2.gz VKGDTVJIJBBEHI-UHFFFAOYSA-N 1 0 295.382 3.409 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CC[C@H](C)OC)cc1F ZINC000740004267 572427580 /nfs/dbraw/zinc/42/75/80/572427580.db2.gz MFJBCJLATNVEHO-ZDUSSCGKSA-N 1 0 282.403 3.187 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)cc1[N+](=O)[O-] ZINC000725852907 572445320 /nfs/dbraw/zinc/44/53/20/572445320.db2.gz KWFXOEOMZKLCPQ-UHFFFAOYSA-N 1 0 298.342 3.128 20 10 CGCDRO CC(C)CC[C@](C)(O)C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000740900597 572467519 /nfs/dbraw/zinc/46/75/19/572467519.db2.gz SJRHUKZRZUYFKI-KRWDZBQOSA-N 1 0 296.430 3.169 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc(N(CC)CC)cc1)[C@@H]1CCOC1 ZINC000742380381 572571003 /nfs/dbraw/zinc/57/10/03/572571003.db2.gz IBFFHCMIWZFUPB-SJLPKXTDSA-N 1 0 290.451 3.438 20 10 CGCDRO c1cc(N2CCCCC2)ccc1C[NH2+]CCOC1CCC1 ZINC000742386348 572574101 /nfs/dbraw/zinc/57/41/01/572574101.db2.gz BAPVUSPUTDSUQA-UHFFFAOYSA-N 1 0 288.435 3.336 20 10 CGCDRO Cc1ccc(NC(=O)C2=CC(=O)CS2)c(C[NH+](C)C)c1 ZINC000733806390 572604713 /nfs/dbraw/zinc/60/47/13/572604713.db2.gz AWFKACLGQYIHQY-UHFFFAOYSA-N 1 0 290.388 3.076 20 10 CGCDRO COc1ccc(O)c(C[NH2+]Cc2ccc3cccnc3c2)c1 ZINC000734003517 572623262 /nfs/dbraw/zinc/62/32/62/572623262.db2.gz KWYSNPZPUMALBL-UHFFFAOYSA-N 1 0 294.354 3.239 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]CC2(O)CCC(C)(C)CC2)c1 ZINC000087048451 618077510 /nfs/dbraw/zinc/07/75/10/618077510.db2.gz VQGNEVCUSJRCGK-UHFFFAOYSA-N 1 0 277.408 3.122 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2C[C@@H](C)CCC[C@H]2C)cc1OC ZINC000160289298 617874075 /nfs/dbraw/zinc/87/40/75/617874075.db2.gz YVIYBUDPGRLAPW-QWHCGFSZSA-N 1 0 293.407 3.420 20 10 CGCDRO COc1cc(C[NH+]2C[C@@H](C)S[C@H](C)C2)c(O)cc1C ZINC000160301765 617930650 /nfs/dbraw/zinc/93/06/50/617930650.db2.gz KKQFRQYTNRESRB-VXGBXAGGSA-N 1 0 281.421 3.035 20 10 CGCDRO CC[C@@H]1CC[C@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000806135889 617951528 /nfs/dbraw/zinc/95/15/28/617951528.db2.gz PDLKNUUFGFZKJZ-TZMCWYRMSA-N 1 0 250.361 3.170 20 10 CGCDRO C[C@H]([NH2+]Cc1cncn1C)c1ccc(N2CCCCC2)cc1 ZINC000289650165 618078754 /nfs/dbraw/zinc/07/87/54/618078754.db2.gz GFWYLFWUWWWSTE-HNNXBMFYSA-N 1 0 298.434 3.261 20 10 CGCDRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)C1 ZINC000742369067 618097251 /nfs/dbraw/zinc/09/72/51/618097251.db2.gz VNDCTIJZGXLNHQ-YPMHNXCESA-N 1 0 250.361 3.170 20 10 CGCDRO CCC[C@H](CC)[NH2+]Cc1cccc(OCC)c1O ZINC000050400523 618100768 /nfs/dbraw/zinc/10/07/68/618100768.db2.gz XUNGGVBPPIOGNL-ZDUSSCGKSA-N 1 0 251.370 3.459 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]CCCC(F)(F)F ZINC000097988918 618467323 /nfs/dbraw/zinc/46/73/23/618467323.db2.gz TVWOVBGWLCQZHJ-UHFFFAOYSA-N 1 0 267.678 3.478 20 10 CGCDRO CC[C@H]([NH2+]Cc1cccc(C)n1)c1ccccc1O ZINC000051573798 618610728 /nfs/dbraw/zinc/61/07/28/618610728.db2.gz DFCAPVXYOJVLRS-HNNXBMFYSA-N 1 0 256.349 3.337 20 10 CGCDRO CC[C@@H](C)N(C)CC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000247019133 618611290 /nfs/dbraw/zinc/61/12/90/618611290.db2.gz MTDMBUIJDIUAOR-HUUCEWRRSA-N 1 0 277.456 3.134 20 10 CGCDRO CCOc1cccc(C[NH2+]C[C@@](C)(O)CCC(C)C)c1O ZINC000077456136 618713407 /nfs/dbraw/zinc/71/34/07/618713407.db2.gz SHYFNCGPHCWCJF-KRWDZBQOSA-N 1 0 295.423 3.068 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CCOc3ccccc3C2)c1O ZINC000318039596 618734388 /nfs/dbraw/zinc/73/43/88/618734388.db2.gz GHVGHDZBIOGDHK-UHFFFAOYSA-N 1 0 299.370 3.186 20 10 CGCDRO C[C@H]([NH2+]C[C@H](C)N1CCC[C@@H](C)C1)c1cc(F)ccc1O ZINC000185024206 625290301 /nfs/dbraw/zinc/29/03/01/625290301.db2.gz ATJLDWJAVZLIGC-RDBSUJKOSA-N 1 0 294.414 3.302 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2CCC[C@H](C)C2)c(O)c1OC ZINC000892510619 618825173 /nfs/dbraw/zinc/82/51/73/618825173.db2.gz PBPMUCZLVFJKIA-AAEUAGOBSA-N 1 0 279.380 3.078 20 10 CGCDRO CC[C@H](C)C[N@H+](CC)Cc1cc(OC)ccc1O ZINC000156088191 618839580 /nfs/dbraw/zinc/83/95/80/618839580.db2.gz FFOMXSYGQIDGCD-LBPRGKRZSA-N 1 0 251.370 3.269 20 10 CGCDRO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000892522030 618843517 /nfs/dbraw/zinc/84/35/17/618843517.db2.gz NGOQMSHWGKVPHA-TZMCWYRMSA-N 1 0 293.407 3.468 20 10 CGCDRO CC[C@H]([NH2+]CC(C)(C)COC)c1ccccc1O ZINC000310793041 618865535 /nfs/dbraw/zinc/86/55/35/618865535.db2.gz BGFBFRYSPDPUDX-ZDUSSCGKSA-N 1 0 251.370 3.106 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]CCCC(F)(F)F)CC2 ZINC000310830715 618871452 /nfs/dbraw/zinc/87/14/52/618871452.db2.gz IYBRRLPDJNHBIO-JTQLQIEISA-N 1 0 259.271 3.312 20 10 CGCDRO COc1ccc(C[NH2+]Cc2ccc(C)s2)c(O)c1OC ZINC000892606095 618872422 /nfs/dbraw/zinc/87/24/22/618872422.db2.gz XSKXETVIPGSKJX-UHFFFAOYSA-N 1 0 293.388 3.069 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H](C2CC2)N(C)C)cc1 ZINC000166221302 618903086 /nfs/dbraw/zinc/90/30/86/618903086.db2.gz ZOCZIEOPOAHCRY-KSSFIOAISA-N 1 0 289.467 3.134 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H](CC(F)(F)F)C(C)C)c1 ZINC000783741969 618917005 /nfs/dbraw/zinc/91/70/05/618917005.db2.gz WKRKZUHBWHIIJH-LBPRGKRZSA-N 1 0 291.313 3.467 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]C1CC(C)C1 ZINC000840893361 618935166 /nfs/dbraw/zinc/93/51/66/618935166.db2.gz IVQIRHHFEPRPDY-UGWHAMFMSA-N 1 0 260.425 3.380 20 10 CGCDRO COc1cccc(O)c1CN[C@@H](C)c1nc(C)cs1 ZINC000892856121 618944302 /nfs/dbraw/zinc/94/43/02/618944302.db2.gz NJMIRUSXOCEJOL-JTQLQIEISA-N 1 0 278.377 3.017 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H](C)c1ncc[nH]1 ZINC000840894405 618945144 /nfs/dbraw/zinc/94/51/44/618945144.db2.gz RCWRTUJNQGJMPU-KBPBESRZSA-N 1 0 286.423 3.066 20 10 CGCDRO C[C@@H]1CCCC[C@]1(C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000308708476 618973485 /nfs/dbraw/zinc/97/34/85/618973485.db2.gz KZKKQLMKZCXYID-BZNIZROVSA-N 1 0 277.364 3.179 20 10 CGCDRO CC[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H](C)C(C)C ZINC000092590294 618995145 /nfs/dbraw/zinc/99/51/45/618995145.db2.gz JGZLUYUARZEIOP-INIZCTEOSA-N 1 0 290.451 3.390 20 10 CGCDRO Cc1ccc(F)cc1C[N@@H+](C)Cc1ccccc1O ZINC000179942611 619011527 /nfs/dbraw/zinc/01/15/27/619011527.db2.gz LBCLNSXWCYUQNH-UHFFFAOYSA-N 1 0 259.324 3.472 20 10 CGCDRO Cc1cccc(C[N@H+]2CCS[C@@H](C)[C@@H]2C)c1O ZINC000180311320 619014530 /nfs/dbraw/zinc/01/45/30/619014530.db2.gz XSYPGTBBTAPVIF-RYUDHWBXSA-N 1 0 251.395 3.026 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2cccc(C)c2O)nc1C ZINC000313886264 619196762 /nfs/dbraw/zinc/19/67/62/619196762.db2.gz CXWYGHCGSOCMGE-UHFFFAOYSA-N 1 0 256.349 3.002 20 10 CGCDRO C[C@H]([NH2+][C@H]1COc2ccccc2C1)c1cc(F)ccc1O ZINC000185224607 619222558 /nfs/dbraw/zinc/22/25/58/619222558.db2.gz IBDBZNIMXSJJDR-SMDDNHRTSA-N 1 0 287.334 3.186 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](C)[C@@H](C)C2)c(O)c1OC ZINC000893568058 619224717 /nfs/dbraw/zinc/22/47/17/619224717.db2.gz RQNKYFSDDMESIW-SGMGOOAPSA-N 1 0 293.407 3.324 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@]1(C)CCCC[C@H]1O ZINC000840935805 619226981 /nfs/dbraw/zinc/22/69/81/619226981.db2.gz ZCXFZBUSSYLTAR-QZTJIDSGSA-N 1 0 290.451 3.092 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CC(C)(C)[C@H](O)C(C)C ZINC000840935897 619227053 /nfs/dbraw/zinc/22/70/53/619227053.db2.gz DKKPXMKMUHYYQM-QGZVFWFLSA-N 1 0 292.467 3.194 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000840942251 619237557 /nfs/dbraw/zinc/23/75/57/619237557.db2.gz WTZJJFBGNIDEBN-INIZCTEOSA-N 1 0 296.414 3.024 20 10 CGCDRO CCC[N@H+](CCC(=O)OC(C)(C)C)Cc1ccccc1O ZINC000076074008 619270269 /nfs/dbraw/zinc/27/02/69/619270269.db2.gz FSTXDAXYWIUQLW-UHFFFAOYSA-N 1 0 293.407 3.336 20 10 CGCDRO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1ccc(OC)c(OC)c1O ZINC000893677110 619277406 /nfs/dbraw/zinc/27/74/06/619277406.db2.gz QBGHNVXQDYIDQP-YPMHNXCESA-N 1 0 279.380 3.030 20 10 CGCDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1ccc(OC)c(OC)c1O ZINC000893677107 619277509 /nfs/dbraw/zinc/27/75/09/619277509.db2.gz QBGHNVXQDYIDQP-WCQYABFASA-N 1 0 279.380 3.030 20 10 CGCDRO CCC[N@H+](Cc1cnc2ccccn12)Cc1ccccc1O ZINC000159485927 619284535 /nfs/dbraw/zinc/28/45/35/619284535.db2.gz LNDQSSCTNKTSAS-UHFFFAOYSA-N 1 0 295.386 3.452 20 10 CGCDRO CC[C@@H]([NH2+]Cc1c(O)cc(C)cc1Cl)[C@@H](O)C(C)C ZINC000840969091 619293042 /nfs/dbraw/zinc/29/30/42/619293042.db2.gz YDFNQMYYAPZUCT-HIFRSBDPSA-N 1 0 285.815 3.239 20 10 CGCDRO COc1cc(C)cc(CN2CCn3cccc3[C@H]2C)c1O ZINC000893879737 619326027 /nfs/dbraw/zinc/32/60/27/619326027.db2.gz IMQSAJGDOXKMCH-CYBMUJFWSA-N 1 0 286.375 3.088 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CCCC(C)(C)C2)c(O)c1OC ZINC000893907109 619328755 /nfs/dbraw/zinc/32/87/55/619328755.db2.gz DPRBPXGVYYSJJS-CYBMUJFWSA-N 1 0 293.407 3.468 20 10 CGCDRO COc1cc(C)cc(C[N@H+](C)[C@@H](C)CCSC)c1O ZINC000894038874 619356142 /nfs/dbraw/zinc/35/61/42/619356142.db2.gz GSBPXBFWTJLHPJ-LBPRGKRZSA-N 1 0 283.437 3.283 20 10 CGCDRO Cc1cccc(O)c1C[NH+]1CCC2(CC2(F)F)CC1 ZINC000877613060 619413075 /nfs/dbraw/zinc/41/30/75/619413075.db2.gz VMHJSPZAADCFCR-UHFFFAOYSA-N 1 0 267.319 3.322 20 10 CGCDRO COc1ccc(C[NH2+]C2CC(C(C)(C)C)C2)c(O)c1OC ZINC000894617584 619590521 /nfs/dbraw/zinc/59/05/21/619590521.db2.gz SNUVAPCSNQXVIM-UHFFFAOYSA-N 1 0 293.407 3.324 20 10 CGCDRO COc1cc(C)cc(C[NH2+]C[C@@H]2CCC(F)(F)C2)c1O ZINC000894645470 619593990 /nfs/dbraw/zinc/59/39/90/619593990.db2.gz QTWCRJOSGPINGJ-LLVKDONJSA-N 1 0 285.334 3.234 20 10 CGCDRO COc1cc(C)cc(C[NH2+]CCC2(F)CCC2)c1O ZINC000894781748 619634215 /nfs/dbraw/zinc/63/42/15/619634215.db2.gz RUBJMKLZGZTIER-UHFFFAOYSA-N 1 0 267.344 3.081 20 10 CGCDRO COc1cccc(C[NH2+][C@H](C)Cc2ccccc2F)c1O ZINC000237234733 619739536 /nfs/dbraw/zinc/73/95/36/619739536.db2.gz IVZGWLWTWXLMKB-GFCCVEGCSA-N 1 0 289.350 3.261 20 10 CGCDRO COC[C@H](CC(C)(C)C)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000895188311 619773387 /nfs/dbraw/zinc/77/33/87/619773387.db2.gz LHPUJUGSZCYJBW-AWEZNQCLSA-N 1 0 295.423 3.250 20 10 CGCDRO COc1ccc(C[NH2+]C[C@@H](CC(C)C)OC)cc1C ZINC000841887964 619813643 /nfs/dbraw/zinc/81/36/43/619813643.db2.gz BFDMLFXMCPVMFU-OAHLLOKOSA-N 1 0 265.397 3.154 20 10 CGCDRO CC(C)(C[NH2+]Cc1cc(F)ccc1O)CC(F)F ZINC000895535332 619844312 /nfs/dbraw/zinc/84/43/12/619844312.db2.gz QTMCCTUCETUELL-UHFFFAOYSA-N 1 0 261.287 3.302 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1CCC2(CCC2)O1 ZINC000895677962 619867378 /nfs/dbraw/zinc/86/73/78/619867378.db2.gz VYMWDDSFUVXBRK-KRWDZBQOSA-N 1 0 288.435 3.252 20 10 CGCDRO CCOc1ccc(C[NH2+][C@H](C)c2ccccc2O)o1 ZINC000895850624 619897541 /nfs/dbraw/zinc/89/75/41/619897541.db2.gz CXSFBBLKCWTROV-LLVKDONJSA-N 1 0 261.321 3.235 20 10 CGCDRO CCc1cccc(C[NH2+]Cc2c(C)cc(CO)cc2C)c1O ZINC000896561861 620027210 /nfs/dbraw/zinc/02/72/10/620027210.db2.gz PRJRFQQAKLEPJN-UHFFFAOYSA-N 1 0 299.414 3.354 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000896613925 620035675 /nfs/dbraw/zinc/03/56/75/620035675.db2.gz ZVOXTPLWAVSUSI-MRXNPFEDSA-N 1 0 272.323 3.167 20 10 CGCDRO CC(C)[C@@H](C[NH2+]Cc1cc(Cl)ccc1O)N1CCCC1 ZINC000021510126 620211975 /nfs/dbraw/zinc/21/19/75/620211975.db2.gz MQTAFKJRMVTMNM-OAHLLOKOSA-N 1 0 296.842 3.256 20 10 CGCDRO [O-]c1c(F)cc(Cl)cc1C[NH2+]C1([C@H]2CCCCO2)CC1 ZINC000897387367 620280381 /nfs/dbraw/zinc/28/03/81/620280381.db2.gz RXUQCDPOYAHYLV-CYBMUJFWSA-N 1 0 299.773 3.376 20 10 CGCDRO Cc1cc(O)c(C[N@H+](C)Cc2cccc(=O)[nH]2)cc1Cl ZINC000897391071 620282373 /nfs/dbraw/zinc/28/23/73/620282373.db2.gz DDAUSBDUVDNMGA-UHFFFAOYSA-N 1 0 292.766 3.087 20 10 CGCDRO CC1(C)CC[C@@H](CC[NH2+]Cc2ccccc2O)OC1 ZINC000897478295 620346110 /nfs/dbraw/zinc/34/61/10/620346110.db2.gz PMDUGSUGAQZTDP-AWEZNQCLSA-N 1 0 263.381 3.077 20 10 CGCDRO C[C@H]1CC2(CC([NH2+]Cc3ccc4c(c3)CCCO4)C2)CO1 ZINC000897774735 620427250 /nfs/dbraw/zinc/42/72/50/620427250.db2.gz UDYJRSUJTQOOLA-BELGNNRLSA-N 1 0 287.403 3.059 20 10 CGCDRO COc1c(C)cc(C[NH2+]CCc2ccc(N)cc2)cc1C ZINC000841036978 620459679 /nfs/dbraw/zinc/45/96/79/620459679.db2.gz QXKRKDPTIHMCOL-UHFFFAOYSA-N 1 0 284.403 3.227 20 10 CGCDRO CC[C@@H]([NH2+]CCc1cccnc1C)c1ccccc1O ZINC000898251594 620497765 /nfs/dbraw/zinc/49/77/65/620497765.db2.gz FLMAWPILZJZSAD-MRXNPFEDSA-N 1 0 270.376 3.379 20 10 CGCDRO COc1cccc(C[NH2+][C@H]2CCCc3cc(N)ccc32)c1O ZINC000841058973 620548345 /nfs/dbraw/zinc/54/83/45/620548345.db2.gz YALIBKFYWKTZBO-INIZCTEOSA-N 1 0 298.386 3.150 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@]2(C)CCCCO2)c1 ZINC000927017590 620562222 /nfs/dbraw/zinc/56/22/22/620562222.db2.gz JTGRLBGBEHFESM-CJNGLKHVSA-N 1 0 263.381 3.310 20 10 CGCDRO CCC[C@H](O)CC[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000927020863 620563212 /nfs/dbraw/zinc/56/32/12/620563212.db2.gz ZNMDDPVBDUVKMA-KBPBESRZSA-N 1 0 265.397 3.211 20 10 CGCDRO Cc1ccc(NCC[NH2+][C@H](C)c2cc(C)ccc2O)nc1 ZINC000927074024 620571208 /nfs/dbraw/zinc/57/12/08/620571208.db2.gz YIKYXGWEWHYNNZ-CQSZACIVSA-N 1 0 285.391 3.167 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cc(C2CC2)n(C)n1)c1ccccc1O ZINC000927109637 620577702 /nfs/dbraw/zinc/57/77/02/620577702.db2.gz UPDRRMGYFAZDOV-OAHLLOKOSA-N 1 0 285.391 3.244 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1O)c1ccccc1O ZINC000898387258 620582033 /nfs/dbraw/zinc/58/20/33/620582033.db2.gz OIDZKEGVCACLKC-JFIYKMOQSA-N 1 0 283.371 3.091 20 10 CGCDRO CCc1onc(C)c1C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000927142671 620601604 /nfs/dbraw/zinc/60/16/04/620601604.db2.gz VHQFUTKGIYQIRK-LBPRGKRZSA-N 1 0 287.407 3.462 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1N)c1ccccc1O ZINC000902439371 621320075 /nfs/dbraw/zinc/32/00/75/621320075.db2.gz RFHJHQIEUVCIAX-LZLYRXPVSA-N 1 0 282.387 3.058 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(N(C)C)ccn2)c1 ZINC000903198409 621623072 /nfs/dbraw/zinc/62/30/72/621623072.db2.gz KTZLWSSPDZMEPZ-CYBMUJFWSA-N 1 0 285.391 3.012 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C2CC3(C2)CO[C@H](C)C3)c1 ZINC000903283168 621650447 /nfs/dbraw/zinc/65/04/47/621650447.db2.gz PPZNQWQCQQSHNR-YFTKNLTDSA-N 1 0 275.392 3.309 20 10 CGCDRO C[C@@H]([NH2+]Cc1cnn(CCF)c1)c1ccc(Cl)cc1O ZINC000903273980 621658116 /nfs/dbraw/zinc/65/81/16/621658116.db2.gz GZZDCZHRSZVJKA-SNVBAGLBSA-N 1 0 297.761 3.062 20 10 CGCDRO CC[C@H]([NH2+][C@@H](CO)CCc1ccccc1)c1ccccc1O ZINC000903293832 621663055 /nfs/dbraw/zinc/66/30/55/621663055.db2.gz YCMBTUMTXDDOIB-AEFFLSMTSA-N 1 0 299.414 3.427 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1cc2c(cc1O)CCCC2 ZINC000903286377 621670039 /nfs/dbraw/zinc/67/00/39/621670039.db2.gz IEOMPIUPTKFXLZ-DCVKRKNHSA-N 1 0 299.414 3.097 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)c2cncs2)c1O ZINC000903310494 621682782 /nfs/dbraw/zinc/68/27/82/621682782.db2.gz JWYYBDYZDGMCFA-UWVGGRQHSA-N 1 0 278.377 3.269 20 10 CGCDRO CO[C@@]1(C[NH2+][C@H](C)c2c(C)cc(C)cc2O)CCSC1 ZINC000903315458 621685764 /nfs/dbraw/zinc/68/57/64/621685764.db2.gz WFXLUOZGFNYGQN-CZUORRHYSA-N 1 0 295.448 3.182 20 10 CGCDRO CC[C@@H]([NH2+]C[C@]1(OC)CCSC1)c1ccc(C)cc1O ZINC000903315666 621686522 /nfs/dbraw/zinc/68/65/22/621686522.db2.gz XXUMZVYFLZGIPG-GDBMZVCRSA-N 1 0 295.448 3.263 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H](c2ncccn2)C2CC2)c(O)c1 ZINC000903326412 621700036 /nfs/dbraw/zinc/70/00/36/621700036.db2.gz LQNJEZVSOGMJOT-WBMJQRKESA-N 1 0 283.375 3.293 20 10 CGCDRO CC[C@H](C[NH2+][C@@H](C)c1ccccc1O)C(=O)OC(C)(C)C ZINC000903354907 621712866 /nfs/dbraw/zinc/71/28/66/621712866.db2.gz YWTTUXJUBATKGK-QWHCGFSZSA-N 1 0 293.407 3.411 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(F)c(C)c2)c1 ZINC000083432615 625519168 /nfs/dbraw/zinc/51/91/68/625519168.db2.gz GYKNHGDXVQPTPE-UHFFFAOYSA-N 1 0 259.324 3.438 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)[C@H](O)Cc2ccccc2)c1 ZINC000186147434 625521873 /nfs/dbraw/zinc/52/18/73/625521873.db2.gz ILDGRANWOOKBHL-YZVOILCLSA-N 1 0 299.414 3.343 20 10 CGCDRO CC(C)Cn1cc[nH+]c1NCc1cc(F)cc(F)c1O ZINC000905414222 622069803 /nfs/dbraw/zinc/06/98/03/622069803.db2.gz ZGEPYRNCNBJLCM-UHFFFAOYSA-N 1 0 281.306 3.135 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1CCCS1)c1cc(F)ccc1O ZINC000149669124 622365268 /nfs/dbraw/zinc/36/52/68/622365268.db2.gz AYHOLYRQNJQUPJ-GXSJLCMTSA-N 1 0 255.358 3.078 20 10 CGCDRO CCCC[N@H+](CCOC)Cc1cc(Cl)ccc1O ZINC000769388450 625567683 /nfs/dbraw/zinc/56/76/83/625567683.db2.gz AASOATOAXPPHQR-UHFFFAOYSA-N 1 0 271.788 3.294 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H]1CCCCO1)c1ccc(N(C)C)cc1 ZINC000156416020 622817407 /nfs/dbraw/zinc/81/74/07/622817407.db2.gz QMLBLLSUIQHLTI-IAGOWNOFSA-N 1 0 276.424 3.362 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CCCC(C)(C)C2)c1O ZINC000164329817 622828200 /nfs/dbraw/zinc/82/82/00/622828200.db2.gz GGQWYGJWZYFBMR-UHFFFAOYSA-N 1 0 263.381 3.331 20 10 CGCDRO CC[C@@H]1C[N@H+](Cc2cc(C)cc(C)c2O)C[C@H](C)O1 ZINC000164318022 622828583 /nfs/dbraw/zinc/82/85/83/622828583.db2.gz UEINJLHJZPKGHU-DZGCQCFKSA-N 1 0 263.381 3.008 20 10 CGCDRO CC[N@H+](Cc1ccccn1)Cc1cc(C)cc(OC)c1O ZINC000164471862 622836942 /nfs/dbraw/zinc/83/69/42/622836942.db2.gz MLEKTZIGEVPSMZ-UHFFFAOYSA-N 1 0 286.375 3.126 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CCN2CCCCC2)cc1 ZINC000057394958 622871433 /nfs/dbraw/zinc/87/14/33/622871433.db2.gz YNLGJNLUVAFKAY-UHFFFAOYSA-N 1 0 289.467 3.108 20 10 CGCDRO Fc1cc(C[NH+]2CCCCCC2)ccc1N1CCOCC1 ZINC000157376465 622899946 /nfs/dbraw/zinc/89/99/46/622899946.db2.gz IVCCDYZVGCWUMG-UHFFFAOYSA-N 1 0 292.398 3.038 20 10 CGCDRO C[C@@H](C1CC1)[N@H+](C)Cc1cc(Br)ccc1O ZINC000158016625 622993064 /nfs/dbraw/zinc/99/30/64/622993064.db2.gz CXXUNRFEFLCNFH-VIFPVBQESA-N 1 0 284.197 3.385 20 10 CGCDRO Cc1cccc(C[NH2+]CCCOc2ccccc2)c1O ZINC000158085295 623003801 /nfs/dbraw/zinc/00/38/01/623003801.db2.gz MDKOOHARYPOKIN-UHFFFAOYSA-N 1 0 271.360 3.259 20 10 CGCDRO CS[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2ccccc2O)C1 ZINC000228794834 623078194 /nfs/dbraw/zinc/07/81/94/623078194.db2.gz FGXDGVDOMQMMDH-QJPTWQEYSA-N 1 0 251.395 3.327 20 10 CGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H](O)Cc1ccccc1 ZINC000170779253 623098119 /nfs/dbraw/zinc/09/81/19/623098119.db2.gz MBNCUSOLLXBRNK-SFHVURJKSA-N 1 0 299.414 3.208 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)[C@H](C)[NH3+])c1cc(Cl)cc(Cl)c1[O-] ZINC000817978243 625630974 /nfs/dbraw/zinc/63/09/74/625630974.db2.gz YWFXNAUOEOPWMP-SXMVTHIZSA-N 1 0 291.222 3.475 20 10 CGCDRO CC(C)(C)[C@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000230392987 623236392 /nfs/dbraw/zinc/23/63/92/623236392.db2.gz GLUUUQJVHOEVDN-LBPRGKRZSA-N 1 0 251.345 3.399 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CCCO1 ZINC000172495180 623252667 /nfs/dbraw/zinc/25/26/67/623252667.db2.gz QBKUANLMJACHGM-GFCCVEGCSA-N 1 0 293.407 3.006 20 10 CGCDRO CS[C@H]1CC[C@@H]([NH2+]Cc2cc(C)ccc2O)C1 ZINC000230699552 623263608 /nfs/dbraw/zinc/26/36/08/623263608.db2.gz QUZHRFPCIWHUPL-OLZOCXBDSA-N 1 0 251.395 3.074 20 10 CGCDRO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H]2C(C)C)c1O ZINC000088837866 623508989 /nfs/dbraw/zinc/50/89/89/623508989.db2.gz DYCDGPQVMRWZMO-OAHLLOKOSA-N 1 0 279.355 3.354 20 10 CGCDRO COc1cc(O)c(C[N@H+](C)C2CCC(C)CC2)cc1OC ZINC000179438647 624657987 /nfs/dbraw/zinc/65/79/87/624657987.db2.gz NXBMDSQQWZFABN-UHFFFAOYSA-N 1 0 293.407 3.420 20 10 CGCDRO COc1ccccc1CC[N@H+](C)Cc1cc(F)ccc1O ZINC000180081195 624712909 /nfs/dbraw/zinc/71/29/09/624712909.db2.gz HWJNCMBAIRTJQR-UHFFFAOYSA-N 1 0 289.350 3.214 20 10 CGCDRO COc1ccc(O)c(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)c1 ZINC000180273854 624731199 /nfs/dbraw/zinc/73/11/99/624731199.db2.gz QYSPJENPPMJOGB-BETUJISGSA-N 1 0 261.365 3.023 20 10 CGCDRO C[C@@H]([NH2+]C1Cc2ccccc2C1)c1cc(F)ccc1O ZINC000184008248 625191650 /nfs/dbraw/zinc/19/16/50/625191650.db2.gz RYRJVJRYGDCVAT-LLVKDONJSA-N 1 0 271.335 3.349 20 10 CGCDRO FC1(F)CC[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000921856683 625910961 /nfs/dbraw/zinc/91/09/61/625910961.db2.gz YLMPIMXJISGLJV-CYBMUJFWSA-N 1 0 267.319 3.289 20 10 CGCDRO C[C@H]([NH2+]C[C@H](O)c1ccco1)c1cc(Cl)ccc1O ZINC000756384721 625938941 /nfs/dbraw/zinc/93/89/41/625938941.db2.gz OFJJPMQTEMZKRC-ZANVPECISA-N 1 0 281.739 3.023 20 10 CGCDRO C[C@H]1C[C@@H](CC[NH2+]Cc2ccc3c(c2)CCCO3)CCO1 ZINC000921990917 625955164 /nfs/dbraw/zinc/95/51/64/625955164.db2.gz RATWDAICAVEADR-GJZGRUSLSA-N 1 0 289.419 3.306 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1)c1ccccc1O ZINC000922328877 625998180 /nfs/dbraw/zinc/99/81/80/625998180.db2.gz HNEBZPGFDQGCJZ-CBBWQLFWSA-N 1 0 275.392 3.248 20 10 CGCDRO CO[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2O)C12CCC2 ZINC000922329589 625998619 /nfs/dbraw/zinc/99/86/19/625998619.db2.gz NXZLVXUJDDOWCQ-UGFHNGPFSA-N 1 0 261.365 3.000 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCS[C@H](C)C2)c1 ZINC000922836813 626054202 /nfs/dbraw/zinc/05/42/02/626054202.db2.gz OFUSEHKRRWZOJR-DGCLKSJQSA-N 1 0 251.395 3.074 20 10 CGCDRO CC[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccc(F)cc1[O-] ZINC000840808753 626190161 /nfs/dbraw/zinc/19/01/61/626190161.db2.gz DTOAAMXSDQHGDB-CZUORRHYSA-N 1 0 294.414 3.304 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H](C)c2ccn(C)n2)cc1 ZINC000840816448 626274903 /nfs/dbraw/zinc/27/49/03/626274903.db2.gz NIQVOKIDNNFYGY-ZIAGYGMSSA-N 1 0 286.423 3.288 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@H](C)CCc2ccco2)c1 ZINC000020145248 634491423 /nfs/dbraw/zinc/49/14/23/634491423.db2.gz FRQBFLXQVJMLOB-GFCCVEGCSA-N 1 0 275.348 3.105 20 10 CGCDRO Cc1cccc(C[NH+]2CC(Cc3ccccc3)C2)c1O ZINC000839127635 626320900 /nfs/dbraw/zinc/32/09/00/626320900.db2.gz HJXRPAXBZPQDBE-UHFFFAOYSA-N 1 0 267.372 3.375 20 10 CGCDRO Cc1cccc(CC2C[NH+](Cc3ccccc3O)C2)c1 ZINC000839131281 626321226 /nfs/dbraw/zinc/32/12/26/626321226.db2.gz IKWNCXSSSHLMON-UHFFFAOYSA-N 1 0 267.372 3.375 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH+]1CC(CC(F)(F)F)C1 ZINC000839138234 626322642 /nfs/dbraw/zinc/32/26/42/626322642.db2.gz NNKLMNSNXYILBN-UHFFFAOYSA-N 1 0 279.689 3.430 20 10 CGCDRO COc1cccc(O)c1C[NH+]1CC(C2CCCC2)C1 ZINC000839142301 626323026 /nfs/dbraw/zinc/32/30/26/626323026.db2.gz HGBCVQIKBDMHKO-UHFFFAOYSA-N 1 0 261.365 3.023 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@H]2CS[C@H](C(C)(C)C)C2)c1 ZINC000754119468 626558674 /nfs/dbraw/zinc/55/86/74/626558674.db2.gz CIXOCOAZQHZYFD-DOMZBBRYSA-N 1 0 295.448 3.411 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCOC(C)(C)[C@H]2C)c1 ZINC000754741759 626585920 /nfs/dbraw/zinc/58/59/20/626585920.db2.gz RTBLJKJOQULQBF-CYBMUJFWSA-N 1 0 263.381 3.008 20 10 CGCDRO CSCC[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756351858 626695053 /nfs/dbraw/zinc/69/50/53/626695053.db2.gz OYVNYBJABJQVPZ-WCBMZHEXSA-N 1 0 255.358 3.032 20 10 CGCDRO CC(C)C[C@H](CO)[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756449457 626706719 /nfs/dbraw/zinc/70/67/19/626706719.db2.gz MGKGREKWLHSCHM-WZRBSPASSA-N 1 0 281.371 3.076 20 10 CGCDRO CC[C@H](C)[C@H](O)C[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756575271 626717135 /nfs/dbraw/zinc/71/71/35/626717135.db2.gz OJNSDHKYRZLDMV-JYYRZZBQSA-N 1 0 281.371 3.076 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccn(C(C)C)n2)c1 ZINC000756591293 626718447 /nfs/dbraw/zinc/71/84/47/626718447.db2.gz FHCNKKKMZSXPCO-CYBMUJFWSA-N 1 0 273.380 3.329 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCCC(=O)OC(C)(C)C)c(O)c1 ZINC000756630455 626722185 /nfs/dbraw/zinc/72/21/85/626722185.db2.gz WCMRLTYPZXXTMO-ZDUSSCGKSA-N 1 0 293.407 3.473 20 10 CGCDRO C[C@H]([NH2+]CCCC(=O)OC(C)(C)C)c1cc(F)ccc1O ZINC000756628370 626722285 /nfs/dbraw/zinc/72/22/85/626722285.db2.gz LUAUUZLZPSCLHO-NSHDSACASA-N 1 0 297.370 3.304 20 10 CGCDRO Cc1ccccc1[C@@H](CO)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000756636995 626722908 /nfs/dbraw/zinc/72/29/08/626722908.db2.gz KVYHPGOGNDGAEJ-BLLLJJGKSA-N 1 0 289.350 3.224 20 10 CGCDRO CCCN(CC)CC[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000756638023 626723159 /nfs/dbraw/zinc/72/31/59/626723159.db2.gz QKYDGPHSTICLQF-LBPRGKRZSA-N 1 0 284.831 3.428 20 10 CGCDRO C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@H](CO)CC2)c2c1c(F)ccc2O ZINC000756644348 626724070 /nfs/dbraw/zinc/72/40/70/626724070.db2.gz ARQYGEGDEDQFPL-ZJQBRPOHSA-N 1 0 293.382 3.220 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(F)cn1)c1cc(Cl)ccc1O ZINC000756657723 626725316 /nfs/dbraw/zinc/72/53/16/626725316.db2.gz FUGSKLIMXFQABQ-SECBINFHSA-N 1 0 280.730 3.431 20 10 CGCDRO C[C@H]1C[C@@H]([NH2+]C[C@@H]2CCO[C@H](C)C2)c2c1c(F)ccc2O ZINC000756676666 626726673 /nfs/dbraw/zinc/72/66/73/626726673.db2.gz MXACUABIOFEWBS-FMCLSXCISA-N 1 0 293.382 3.484 20 10 CGCDRO C[C@H]1C[C@H]([NH2+]Cc2cccc(F)n2)c2c1c(F)ccc2O ZINC000756768231 626729917 /nfs/dbraw/zinc/72/99/17/626729917.db2.gz KYHZZEQFINTVML-CABZTGNLSA-N 1 0 290.313 3.404 20 10 CGCDRO COC[C@H]([NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F)C1CC1 ZINC000756769326 626730449 /nfs/dbraw/zinc/73/04/49/626730449.db2.gz QBDHLRXDDHLUOW-WQAKAFBOSA-N 1 0 279.355 3.094 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)c1cn[nH]c1 ZINC000756776753 626731225 /nfs/dbraw/zinc/73/12/25/626731225.db2.gz RBOQLRCUSBOOEA-BDAKNGLRSA-N 1 0 265.744 3.181 20 10 CGCDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000839630020 626768489 /nfs/dbraw/zinc/76/84/89/626768489.db2.gz YDDAUMFRCBDHSZ-MOPGFXCFSA-N 1 0 296.414 3.155 20 10 CGCDRO Oc1ccccc1C[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000758630671 626851800 /nfs/dbraw/zinc/85/18/00/626851800.db2.gz IABCIKZQNTUSGK-MRXNPFEDSA-N 1 0 254.333 3.028 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](C)C(C)(C)C2)cc1OC ZINC000758998382 626869791 /nfs/dbraw/zinc/86/97/91/626869791.db2.gz BSOZCJGCIMMUHE-GFCCVEGCSA-N 1 0 293.407 3.277 20 10 CGCDRO CN(Cc1cccs1)c1ccc(OCC[NH+](C)C)cc1 ZINC000761219973 627026051 /nfs/dbraw/zinc/02/60/51/627026051.db2.gz FUMGSSLSUJBYRY-UHFFFAOYSA-N 1 0 290.432 3.325 20 10 CGCDRO Oc1ccc2ccncc2c1C[N@@H+]1CCOC2(CCCC2)C1 ZINC000765103181 627240647 /nfs/dbraw/zinc/24/06/47/627240647.db2.gz WAMASFPYIWZCRQ-UHFFFAOYSA-N 1 0 298.386 3.085 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C[C@H]2C[C@H]2c2ccccc2)c1 ZINC000767371199 627402690 /nfs/dbraw/zinc/40/26/90/627402690.db2.gz KQPLAPWKBPDYSE-PBHICJAKSA-N 1 0 283.371 3.294 20 10 CGCDRO CCOc1ccc(C[NH2+][C@H]2CC3CCC2CC3)c(O)c1 ZINC000767929213 627444711 /nfs/dbraw/zinc/44/47/11/627444711.db2.gz LVKPNPAISSMCRC-ZUEPYMLJSA-N 1 0 275.392 3.459 20 10 CGCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@@H]1CCCOC1 ZINC000768535097 627485523 /nfs/dbraw/zinc/48/55/23/627485523.db2.gz NVWPKEROEQFLSI-KRWDZBQOSA-N 1 0 290.451 3.390 20 10 CGCDRO CCOc1cccc(C[N@H+](CCOC)C2CCCC2)c1O ZINC000768579106 627487417 /nfs/dbraw/zinc/48/74/17/627487417.db2.gz PPFIUFRYBKZTET-UHFFFAOYSA-N 1 0 293.407 3.182 20 10 CGCDRO Cc1cc([C@H]2CCC[N@H+]2Cc2ccc(N(C)C)cc2)on1 ZINC000768878520 627505895 /nfs/dbraw/zinc/50/58/95/627505895.db2.gz QEOGLBYGNYXHJS-MRXNPFEDSA-N 1 0 285.391 3.386 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCc3ccc(O)cc3CC2)cc1C ZINC000769191765 627530438 /nfs/dbraw/zinc/53/04/38/627530438.db2.gz LARWEDZOFPDCNJ-UHFFFAOYSA-N 1 0 297.398 3.315 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CCCc2sccc2C1 ZINC000769381315 627547288 /nfs/dbraw/zinc/54/72/88/627547288.db2.gz OHPNBHIXHQVFBV-UHFFFAOYSA-N 1 0 289.400 3.411 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CCS[C@H](C)[C@@H]2C)c(O)c1 ZINC000769445573 627552511 /nfs/dbraw/zinc/55/25/11/627552511.db2.gz GUFZBRUUUHZWOD-NWDGAFQWSA-N 1 0 281.421 3.117 20 10 CGCDRO CCOc1ccc(C[N@@H+]2C[C@@H](C)C[C@@H]2CC)c(O)c1 ZINC000769449124 627553299 /nfs/dbraw/zinc/55/32/99/627553299.db2.gz ZCOOVGKJBRHDMH-JSGCOSHPSA-N 1 0 263.381 3.411 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](C)[C@@H](C)C2)c1 ZINC000769451557 627554383 /nfs/dbraw/zinc/55/43/83/627554383.db2.gz MXTYEQGCNISLNE-STQMWFEESA-N 1 0 263.381 3.269 20 10 CGCDRO CS[C@@H]1CCCC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000770351798 627614583 /nfs/dbraw/zinc/61/45/83/627614583.db2.gz UVLGPRZWVMENGC-MRXNPFEDSA-N 1 0 278.465 3.470 20 10 CGCDRO COc1ccc2c(c1)CCC[N@@H+](Cc1ccccc1O)C2 ZINC000770510118 627623851 /nfs/dbraw/zinc/62/38/51/627623851.db2.gz JTDBBBMRXQFRFZ-UHFFFAOYSA-N 1 0 283.371 3.349 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc(F)cn1 ZINC000771382293 627704961 /nfs/dbraw/zinc/70/49/61/627704961.db2.gz JVXKASRASJGWSH-NSHDSACASA-N 1 0 272.323 3.006 20 10 CGCDRO CSc1cc(C[NH2+]Cc2cc(Cl)ccc2O)ccn1 ZINC000771894724 627742863 /nfs/dbraw/zinc/74/28/63/627742863.db2.gz LYUCFDWVLRXFPY-UHFFFAOYSA-N 1 0 294.807 3.452 20 10 CGCDRO CCC1(O)CCC([NH2+][C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000772464500 627793926 /nfs/dbraw/zinc/79/39/26/627793926.db2.gz BHPVMXQWOWSXCU-MXWWQKGMSA-N 1 0 290.451 3.487 20 10 CGCDRO CC[C@H](O)CCC[NH2+][C@H](C)c1ccc(N(C)CC)cc1 ZINC000773012940 627842416 /nfs/dbraw/zinc/84/24/16/627842416.db2.gz FDLSFHMDAMICKF-PBHICJAKSA-N 1 0 278.440 3.344 20 10 CGCDRO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(N(C)CC)cc1 ZINC000773730729 627908810 /nfs/dbraw/zinc/90/88/10/627908810.db2.gz PZJDMDSEUVNKMS-GDBMZVCRSA-N 1 0 276.424 3.142 20 10 CGCDRO CCN(C)c1ccc(C[NH2+][C@@](C)(CO)c2ccccc2)cc1 ZINC000773753790 627910975 /nfs/dbraw/zinc/91/09/75/627910975.db2.gz AGWMUJFGMPQRGY-IBGZPJMESA-N 1 0 298.430 3.140 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@H](OC)CC2)cc1 ZINC000773835443 627918533 /nfs/dbraw/zinc/91/85/33/627918533.db2.gz FGXUYXASCTVOPY-KRWDZBQOSA-N 1 0 276.424 3.144 20 10 CGCDRO CCN(C)c1ccc(C[NH2+][C@@H]2Cc3cccc(O)c3C2)cc1 ZINC000773887841 627925312 /nfs/dbraw/zinc/92/53/12/627925312.db2.gz IPNHFXRCXGLRQN-MRXNPFEDSA-N 1 0 296.414 3.105 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H](O)c1cccc(Cl)c1)c1ccccc1O ZINC000775130458 628066350 /nfs/dbraw/zinc/06/63/50/628066350.db2.gz LOJUEIHRKWBXDK-BDJLRTHQSA-N 1 0 291.778 3.430 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)COC)c1cc(Cl)ccc1O ZINC000775483226 628098252 /nfs/dbraw/zinc/09/82/52/628098252.db2.gz POFACPGLRBYVBG-CABZTGNLSA-N 1 0 257.761 3.121 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H]1CCCO1)c1cc(Cl)ccc1O ZINC000775483137 628098589 /nfs/dbraw/zinc/09/85/89/628098589.db2.gz MERWAXVOHLZMBV-WCQYABFASA-N 1 0 269.772 3.265 20 10 CGCDRO CC[C@H]([NH2+]CCN1CCc2ccccc21)c1ccccc1O ZINC000775496622 628101390 /nfs/dbraw/zinc/10/13/90/628101390.db2.gz KVWXYJBOMWNLHS-KRWDZBQOSA-N 1 0 296.414 3.496 20 10 CGCDRO CC[C@@H](O)CC[NH2+][C@H](CC)c1cc(Cl)ccc1O ZINC000775513980 628102806 /nfs/dbraw/zinc/10/28/06/628102806.db2.gz PTTFPOZYOBIUOV-DGCLKSJQSA-N 1 0 271.788 3.247 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CC[C@H](O)CC1)c1cc(Cl)ccc1O ZINC000775522948 628103548 /nfs/dbraw/zinc/10/35/48/628103548.db2.gz CHSQZCLEEHUUBO-OBJOEFQTSA-N 1 0 283.799 3.390 20 10 CGCDRO CC[C@H]([NH2+]CCc1ccnn1C)c1cc(Cl)ccc1O ZINC000775556539 628106655 /nfs/dbraw/zinc/10/66/55/628106655.db2.gz ZUZOWJGEGSFXPH-AWEZNQCLSA-N 1 0 293.798 3.063 20 10 CGCDRO Cc1cc(Cl)cc(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)c1O ZINC000775717284 628129644 /nfs/dbraw/zinc/12/96/44/628129644.db2.gz ACROMRLABTUKQS-BETUJISGSA-N 1 0 265.784 3.442 20 10 CGCDRO C[C@H]([NH2+]C[Si](C)(C)C)c1ccc(N(C)C)cc1 ZINC000775832767 628140581 /nfs/dbraw/zinc/14/05/81/628140581.db2.gz BNDRPLCARKWPIJ-LBPRGKRZSA-N 1 0 250.462 3.281 20 10 CGCDRO C[C@@H](C[NH2+]Cc1ccccc1O)Cc1ccccc1 ZINC000775952961 628153377 /nfs/dbraw/zinc/15/33/77/628153377.db2.gz ARSDGVUNCWVXGU-CQSZACIVSA-N 1 0 255.361 3.361 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCC[C@@H]2OC)cc1F ZINC000776174046 628175935 /nfs/dbraw/zinc/17/59/35/628175935.db2.gz ZJDOEVJSFDDIRN-RDJZCZTQSA-N 1 0 294.414 3.329 20 10 CGCDRO CO[C@@]1(C)C[C@H]([N@H+](C)Cc2cc(F)ccc2O)C1(C)C ZINC000779032544 628384443 /nfs/dbraw/zinc/38/44/43/628384443.db2.gz JVILBRPSSQGUIA-HOCLYGCPSA-N 1 0 281.371 3.167 20 10 CGCDRO Cn1cc([C@H]([NH2+]Cc2cc(F)ccc2O)C(C)(C)C)cn1 ZINC000779088170 628388276 /nfs/dbraw/zinc/38/82/76/628388276.db2.gz QUEQSGGAABVYPL-HNNXBMFYSA-N 1 0 291.370 3.142 20 10 CGCDRO CC(C)(C)[C@H]1CC[N@H+](Cc2c(O)cccc2Cl)C[C@H]1O ZINC000779432257 628413178 /nfs/dbraw/zinc/41/31/78/628413178.db2.gz QDERGUVXKVBSGT-SWLSCSKDSA-N 1 0 297.826 3.275 20 10 CGCDRO CN(Cc1ccc(N2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000780754364 628514826 /nfs/dbraw/zinc/51/48/26/628514826.db2.gz NVNLOIKVCQAKRX-UHFFFAOYSA-N 1 0 295.430 3.075 20 10 CGCDRO COC[C@H]([NH2+]Cc1ccc(N(C)C)cc1C)C1CCCC1 ZINC000783246915 628694350 /nfs/dbraw/zinc/69/43/50/628694350.db2.gz UKCXKQHJLIEUAS-SFHVURJKSA-N 1 0 290.451 3.356 20 10 CGCDRO C[C@@H]([NH2+]CCn1cnc2ccccc21)c1ccccc1O ZINC000783499628 628718294 /nfs/dbraw/zinc/71/82/94/628718294.db2.gz AHRIIJVVIAJLOO-CYBMUJFWSA-N 1 0 281.359 3.093 20 10 CGCDRO C[C@H]([NH2+]CCN1[C@H](C)CCC[C@H]1C)c1ccccc1O ZINC000783509308 628719687 /nfs/dbraw/zinc/71/96/87/628719687.db2.gz RRSQYEPJPARYMW-KFWWJZLASA-N 1 0 276.424 3.306 20 10 CGCDRO C[C@H](Cc1ccncc1)[NH2+][C@H](C)c1ccccc1O ZINC000783518526 628720555 /nfs/dbraw/zinc/72/05/55/628720555.db2.gz DEBWHVRQAALGBF-CHWSQXEVSA-N 1 0 256.349 3.069 20 10 CGCDRO CCOc1ccc(C[NH2+]C23CCC(CC2)C3)c(O)c1 ZINC000784642839 628827005 /nfs/dbraw/zinc/82/70/05/628827005.db2.gz BMAPIMRWVIAYIV-UHFFFAOYSA-N 1 0 261.365 3.213 20 10 CGCDRO C[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)[C@@H]1CO ZINC000785984163 628905723 /nfs/dbraw/zinc/90/57/23/628905723.db2.gz HHJDNEYZOKWEHK-KBXCAEBGSA-N 1 0 297.398 3.262 20 10 CGCDRO CO[C@H](CC[NH2+][C@H](C)c1cc(F)ccc1O)C(F)(F)F ZINC000786950839 628972260 /nfs/dbraw/zinc/97/22/60/628972260.db2.gz RQWVDLGDDCGQFW-PRHODGIISA-N 1 0 295.276 3.149 20 10 CGCDRO CC[C@H]([NH2+]CCC[C@@H](C)O)c1cc(Cl)ccc1O ZINC000788604853 629067220 /nfs/dbraw/zinc/06/72/20/629067220.db2.gz MWFDSPIGRYZNSD-MFKMUULPSA-N 1 0 271.788 3.247 20 10 CGCDRO CC[C@H](C)[C@](C)(O)C[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000788594626 629067447 /nfs/dbraw/zinc/06/74/47/629067447.db2.gz WYRBUUJLRCKOHU-JJRVBVJISA-N 1 0 279.424 3.457 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCC(=O)OC(C)(C)C)c(O)c1 ZINC000788608474 629069288 /nfs/dbraw/zinc/06/92/88/629069288.db2.gz GBSBPYSVYRLJFN-ZDUSSCGKSA-N 1 0 293.407 3.391 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2C[C@H](C)C[C@@H](C)[C@H]2C)cc1OC ZINC000789586380 629148311 /nfs/dbraw/zinc/14/83/11/629148311.db2.gz NGHSHBJAHVDBQA-JHJVBQTASA-N 1 0 293.407 3.276 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2N(C)CCCC2(C)C)c(O)c1 ZINC000790496548 629213374 /nfs/dbraw/zinc/21/33/74/629213374.db2.gz FSBRWLJREZPECL-YOEHRIQHSA-N 1 0 290.451 3.472 20 10 CGCDRO C[C@@](O)(C[NH2+]Cc1c(O)cccc1Cl)C1CCCCC1 ZINC000790995179 629247967 /nfs/dbraw/zinc/24/79/67/629247967.db2.gz AHKHQNKUJZOPPJ-MRXNPFEDSA-N 1 0 297.826 3.467 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CC2CC=CC2)cc1Cl ZINC000862455841 629380716 /nfs/dbraw/zinc/38/07/16/629380716.db2.gz ROMYKOSTSDDPDO-UHFFFAOYSA-N 1 0 251.757 3.410 20 10 CGCDRO Cc1cccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)c1O ZINC000862473159 629383670 /nfs/dbraw/zinc/38/36/70/629383670.db2.gz GQJJSWKIFNPTJX-KGLIPLIRSA-N 1 0 263.406 3.171 20 10 CGCDRO CCO[C@@]1(C)C[C@H]1[NH2+]Cc1ccc2ccccc2c1O ZINC000862487402 629388236 /nfs/dbraw/zinc/38/82/36/629388236.db2.gz QOQDQUFKGMKXDG-WBVHZDCISA-N 1 0 271.360 3.203 20 10 CGCDRO Oc1c(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)ccc2ccccc21 ZINC000862530063 629392673 /nfs/dbraw/zinc/39/26/73/629392673.db2.gz ULJBEGDYHSIFHD-NVXWUHKLSA-N 1 0 283.371 3.203 20 10 CGCDRO Oc1ccc([C@@H]2CC[N@H+](Cc3cc(F)ccc3O)C2)cc1 ZINC000862540839 629396543 /nfs/dbraw/zinc/39/65/43/629396543.db2.gz KWNYSWDXHQUTKT-CYBMUJFWSA-N 1 0 287.334 3.226 20 10 CGCDRO CC[C@@H]([NH2+]CCCCn1ccnc1)c1ccc(C)cc1O ZINC000794796415 629577301 /nfs/dbraw/zinc/57/73/01/629577301.db2.gz KIRZOMXNWBFHFC-MRXNPFEDSA-N 1 0 287.407 3.418 20 10 CGCDRO CC[C@H]([NH2+]CCN1CC[C@H](C)C1)c1ccc(C)cc1O ZINC000794800639 629578385 /nfs/dbraw/zinc/57/83/85/629578385.db2.gz FKOOHRUIADJLJF-HOCLYGCPSA-N 1 0 276.424 3.083 20 10 CGCDRO CC[C@H]([NH2+]C[C@H]1CCC[C@H](O)C1)c1ccc(C)cc1O ZINC000794800576 629578546 /nfs/dbraw/zinc/57/85/46/629578546.db2.gz DWVKNNXKFQTJAX-DZKIICNBSA-N 1 0 277.408 3.292 20 10 CGCDRO CC[C@H]([NH2+]C[C@@]1(C)CCCO1)c1ccc(C)cc1O ZINC000794811601 629580310 /nfs/dbraw/zinc/58/03/10/629580310.db2.gz SBOJURACTYKKOL-GOEBONIOSA-N 1 0 263.381 3.310 20 10 CGCDRO CC[C@H]([NH2+]CC1(CO)CCCC1)c1ccc(C)cc1O ZINC000794818967 629581987 /nfs/dbraw/zinc/58/19/87/629581987.db2.gz ZWJMSNNASDZOTL-HNNXBMFYSA-N 1 0 277.408 3.294 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cccnc1F)c1ccc(C)cc1O ZINC000794832145 629584015 /nfs/dbraw/zinc/58/40/15/629584015.db2.gz CLPRYWCLTGQCDS-CQSZACIVSA-N 1 0 274.339 3.476 20 10 CGCDRO CC[C@H](N[C@H]1CC[C@H](C)[NH2+]C1)c1cc(Cl)ccc1O ZINC000863547573 629603372 /nfs/dbraw/zinc/60/33/72/629603372.db2.gz PYQBHIXWDOOTLW-JKOKRWQUSA-N 1 0 282.815 3.227 20 10 CGCDRO CCc1ccc([C@@H](O)C[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000796451783 629782951 /nfs/dbraw/zinc/78/29/51/629782951.db2.gz VHTHKNWYSMVCJM-SFHVURJKSA-N 1 0 297.398 3.007 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]Cc2cnn3ccccc23)c(O)c1 ZINC000797057799 629879898 /nfs/dbraw/zinc/87/98/98/629879898.db2.gz PYJRKVUZSGWZGC-ZDUSSCGKSA-N 1 0 281.359 3.199 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]C[C@H]2CCOC[C@H]2C)c2c1c(F)ccc2O ZINC000797077077 629881695 /nfs/dbraw/zinc/88/16/95/629881695.db2.gz CDTPTRBFBGTIHD-BYNQJWBRSA-N 1 0 293.382 3.342 20 10 CGCDRO Cc1cc(C[N@@H+](C)Cc2ccccc2O)cc(Cl)n1 ZINC000797589915 629964799 /nfs/dbraw/zinc/96/47/99/629964799.db2.gz RMLAHTHXWDUGKS-UHFFFAOYSA-N 1 0 276.767 3.381 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](c3ccccn3)C2)cc1 ZINC000798962872 630129833 /nfs/dbraw/zinc/12/98/33/630129833.db2.gz RSGYDJBIYUAPQF-INIZCTEOSA-N 1 0 281.403 3.137 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CC[C@H](c3ccccn3)C2)c1O ZINC000798964701 630130525 /nfs/dbraw/zinc/13/05/25/630130525.db2.gz MPXXENMVKBLCEW-AWEZNQCLSA-N 1 0 298.386 3.175 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](CCO)Cc2ccccc2)c1 ZINC000799729206 630225898 /nfs/dbraw/zinc/22/58/98/630225898.db2.gz INXBJIOHLMZDMG-WBVHZDCISA-N 1 0 299.414 3.345 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](CCO)Cc2ccccc2)c1 ZINC000799729204 630226454 /nfs/dbraw/zinc/22/64/54/630226454.db2.gz INXBJIOHLMZDMG-RDJZCZTQSA-N 1 0 299.414 3.345 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+]CC[C@@H]2CCSC2)cc1 ZINC000865651898 630253574 /nfs/dbraw/zinc/25/35/74/630253574.db2.gz IVSQSNWQYKHNPQ-MJSXRHKHSA-N 1 0 290.476 3.499 20 10 CGCDRO COc1cccc(C[NH2+][C@@H]2CCO[C@H]2c2ccccc2)c1O ZINC000865650195 630254173 /nfs/dbraw/zinc/25/41/73/630254173.db2.gz GTYNBVVGLZXITE-QAPCUYQASA-N 1 0 299.370 3.021 20 10 CGCDRO CN1CCCc2cc(C[NH2+][C@H]3CCC34CCC4)ccc21 ZINC000800473618 630282780 /nfs/dbraw/zinc/28/27/80/630282780.db2.gz BSCCHBOETPMGOD-KRWDZBQOSA-N 1 0 270.420 3.491 20 10 CGCDRO COc1ccc(C[NH2+]C[C@H](O)c2cc(C)cc(C)c2)cc1C ZINC000800896231 630309995 /nfs/dbraw/zinc/30/99/95/630309995.db2.gz DCUAOSYPABVHSY-SFHVURJKSA-N 1 0 299.414 3.444 20 10 CGCDRO COc1cccc(O)c1C[NH2+]Cc1csc(C)c1C ZINC000865680220 630348930 /nfs/dbraw/zinc/34/89/30/630348930.db2.gz TXWZISBRZCEVBN-UHFFFAOYSA-N 1 0 277.389 3.369 20 10 CGCDRO COc1cccc(O)c1C[NH2+]CCC1C[C@H](C)O[C@@H](C)C1 ZINC000801732794 630354082 /nfs/dbraw/zinc/35/40/82/630354082.db2.gz XCXIRJVFAAJPKH-STQMWFEESA-N 1 0 293.407 3.084 20 10 CGCDRO CN1CCCc2cc(C[NH2+][C@@H]3CC[C@@H]3C3CC3)ccc21 ZINC000806134745 630546381 /nfs/dbraw/zinc/54/63/81/630546381.db2.gz BNTGOVQQCZGZQX-IAGOWNOFSA-N 1 0 270.420 3.347 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H](CO)C(C)C)c1ccc(C)cc1O ZINC000806169411 630552410 /nfs/dbraw/zinc/55/24/10/630552410.db2.gz LGNVCLKPRYRTAW-DZGCQCFKSA-N 1 0 265.397 3.006 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](CO)C(C)C)c1cc(Cl)ccc1O ZINC000806170239 630552921 /nfs/dbraw/zinc/55/29/21/630552921.db2.gz XWVQCKAGGDOISB-FZMZJTMJSA-N 1 0 285.815 3.351 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCCO[C@@H](C(C)C)C2)c1 ZINC000840095363 630590926 /nfs/dbraw/zinc/59/09/26/630590926.db2.gz LISKAEURNVFEED-MRXNPFEDSA-N 1 0 277.408 3.256 20 10 CGCDRO COCCC[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808673177 630662957 /nfs/dbraw/zinc/66/29/57/630662957.db2.gz ZFWMMHQQYNMBNA-SNVBAGLBSA-N 1 0 257.761 3.041 20 10 CGCDRO CC[C@@H](COC)[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808697546 630665086 /nfs/dbraw/zinc/66/50/86/630665086.db2.gz MTLJDEAMDAUDIL-PWSUYJOCSA-N 1 0 271.788 3.430 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCOCC2CC2)c1O ZINC000808693795 630665137 /nfs/dbraw/zinc/66/51/37/630665137.db2.gz PUXVMSJXTJUUEJ-NSHDSACASA-N 1 0 283.799 3.431 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](CO)C(C)C)c1O ZINC000808718423 630670554 /nfs/dbraw/zinc/67/05/54/630670554.db2.gz OASJCBWLURBEEW-VXGBXAGGSA-N 1 0 285.815 3.269 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C[C@H](C)CC(C)C)c1 ZINC000809620354 630764384 /nfs/dbraw/zinc/76/43/84/630764384.db2.gz QDRWDNOOJFEMOO-GFCCVEGCSA-N 1 0 251.370 3.173 20 10 CGCDRO CCCCN(C)C[C@@H](C)[NH2+]Cc1cc(C)c(C)cc1O ZINC000810162959 630848480 /nfs/dbraw/zinc/84/84/80/630848480.db2.gz GQZDEWKISWNOQF-OAHLLOKOSA-N 1 0 278.440 3.219 20 10 CGCDRO CCCN(CC)C[C@@H](C)[NH2+]Cc1ccc(OCC)cc1O ZINC000810179544 630851136 /nfs/dbraw/zinc/85/11/36/630851136.db2.gz CRACJQVDHZZPCK-CQSZACIVSA-N 1 0 294.439 3.001 20 10 CGCDRO CC(C)N(C)C[C@H](C)[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000810244130 630858098 /nfs/dbraw/zinc/85/80/98/630858098.db2.gz AFQIQOPFFVJMHE-SGMGOOAPSA-N 1 0 294.414 3.398 20 10 CGCDRO CC(C)N(C)C[C@@H](C)[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000810253687 630860227 /nfs/dbraw/zinc/86/02/27/630860227.db2.gz AFQIQOPFFVJMHE-YRGRVCCFSA-N 1 0 294.414 3.398 20 10 CGCDRO Cc1cccc2c1OC[C@@H]([NH2+][C@@H](C)c1ccccc1O)C2 ZINC000810259451 630861505 /nfs/dbraw/zinc/86/15/05/630861505.db2.gz JMIJJZZZZVYIFO-ZFWWWQNUSA-N 1 0 283.371 3.355 20 10 CGCDRO CCCN(CC)C[C@H](C)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000810261857 630861546 /nfs/dbraw/zinc/86/15/46/630861546.db2.gz GHJJWDROARBHPO-KBPBESRZSA-N 1 0 294.439 3.172 20 10 CGCDRO Oc1ccccc1CN1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000811508232 631077467 /nfs/dbraw/zinc/07/74/67/631077467.db2.gz HHFRULJMZGMPGR-KRWDZBQOSA-N 1 0 294.398 3.377 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2c3c(nn2C)CCCC3)c(O)c1 ZINC000812738083 631299987 /nfs/dbraw/zinc/29/99/87/631299987.db2.gz WOLVRQVXPLMWQY-CYBMUJFWSA-N 1 0 299.418 3.164 20 10 CGCDRO CC(C)[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)C1(CO)CCC1 ZINC000814169968 631536806 /nfs/dbraw/zinc/53/68/06/631536806.db2.gz PDVKBRGMXXADFF-QGZVFWFLSA-N 1 0 290.451 3.029 20 10 CGCDRO CCOc1ccc(O)c(C[NH+]2CCC(C3CC3)CC2)c1 ZINC000814172626 631538816 /nfs/dbraw/zinc/53/88/16/631538816.db2.gz WOCMPLYQJUVKOE-UHFFFAOYSA-N 1 0 275.392 3.413 20 10 CGCDRO CC[C@@H]1CC[N@@H+]1Cc1cc(Br)cc(C)c1O ZINC000814179630 631539514 /nfs/dbraw/zinc/53/95/14/631539514.db2.gz WPGLPKXBPHORQH-GFCCVEGCSA-N 1 0 284.197 3.447 20 10 CGCDRO CSC[C@H]1CCC[N@@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000815061726 631708667 /nfs/dbraw/zinc/70/86/67/631708667.db2.gz FVYGLSZSEDKLSH-OAHLLOKOSA-N 1 0 278.465 3.388 20 10 CGCDRO Cc1cc(C[NH2+][C@@]2(C)CCO[C@@H]2C2CC2)ccc1N(C)C ZINC000815088423 631713862 /nfs/dbraw/zinc/71/38/62/631713862.db2.gz DJNSICFZZLZIDC-MSOLQXFVSA-N 1 0 288.435 3.108 20 10 CGCDRO CSCCC[N@H+](C)Cc1ccc(N(C)C)c(C)c1 ZINC000815107064 631718689 /nfs/dbraw/zinc/71/86/89/631718689.db2.gz DSCRXSRYXWMFOG-UHFFFAOYSA-N 1 0 266.454 3.246 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@H](OC)C[C@@H]2C)cc1 ZINC000815107955 631718885 /nfs/dbraw/zinc/71/88/85/631718885.db2.gz PTIQVKBVZHPGNQ-WMLDXEAASA-N 1 0 276.424 3.142 20 10 CGCDRO Cc1cc(C[N@@H+]2CC[C@@]3(C2)CCCOC3)ccc1N(C)C ZINC000815112964 631718927 /nfs/dbraw/zinc/71/89/27/631718927.db2.gz JTXDIYIDSNDHRU-GOSISDBHSA-N 1 0 288.435 3.064 20 10 CGCDRO CCN(C)c1ccc(C[N@H+](CC2CCC2)[C@@H](C)CO)cc1 ZINC000815106691 631719010 /nfs/dbraw/zinc/71/90/10/631719010.db2.gz ZSYBJDFNXCVVBE-HNNXBMFYSA-N 1 0 290.451 3.126 20 10 CGCDRO CCOC1CC([N@H+](C)Cc2ccc(N(C)C)c(C)c2)C1 ZINC000815117582 631721106 /nfs/dbraw/zinc/72/11/06/631721106.db2.gz HODTWXAHWBHCFF-UHFFFAOYSA-N 1 0 276.424 3.060 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@H](n3cc(C)cn3)C2)cc1 ZINC000815119140 631721379 /nfs/dbraw/zinc/72/13/79/631721379.db2.gz QEONLVHTOSWBTI-GOSISDBHSA-N 1 0 298.434 3.095 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@]2(O)CCCC2(C)C)cc1C ZINC000815146346 631729776 /nfs/dbraw/zinc/72/97/76/631729776.db2.gz FNDZZPPWDPKDBA-QGZVFWFLSA-N 1 0 277.408 3.040 20 10 CGCDRO COCC1(CC[NH2+]Cc2cc(Cl)ccc2O)CCC1 ZINC000815148246 631730543 /nfs/dbraw/zinc/73/05/43/631730543.db2.gz PRFFZUYMJYBECB-UHFFFAOYSA-N 1 0 283.799 3.342 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc(N(CC)CC)c(F)c1)C(C)(C)O ZINC000815155524 631733030 /nfs/dbraw/zinc/73/30/30/631733030.db2.gz RGBVWSVTEGSRCJ-MRXNPFEDSA-N 1 0 296.430 3.311 20 10 CGCDRO CC(C)(O)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000815578155 631797878 /nfs/dbraw/zinc/79/78/78/631797878.db2.gz IOOUMLZEPFXDAB-KRWDZBQOSA-N 1 0 299.414 3.427 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCc2cscn2)c(O)c1 ZINC000815588943 631802191 /nfs/dbraw/zinc/80/21/91/631802191.db2.gz DJIXEMDXKGQORZ-GFCCVEGCSA-N 1 0 276.405 3.359 20 10 CGCDRO CN(C)CC[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000815625861 631808686 /nfs/dbraw/zinc/80/86/86/631808686.db2.gz OIKLYXFOABBILL-SFHVURJKSA-N 1 0 298.430 3.217 20 10 CGCDRO Oc1c(C[N@@H+]2CCOCC3(CC3)C2)ccc2ccccc21 ZINC000816567018 632014719 /nfs/dbraw/zinc/01/47/19/632014719.db2.gz OGIHNKDWYCKIPP-UHFFFAOYSA-N 1 0 283.371 3.158 20 10 CGCDRO COCC1=CC[N@H+](Cc2ccc3ccccc3c2O)CC1 ZINC000816573718 632015780 /nfs/dbraw/zinc/01/57/80/632015780.db2.gz ISPVCQZFFMSSJH-UHFFFAOYSA-N 1 0 283.371 3.324 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CC23CCSCC3)cc1 ZINC000817411941 632142584 /nfs/dbraw/zinc/14/25/84/632142584.db2.gz ZSOULWUOISNXJE-OAHLLOKOSA-N 1 0 290.476 3.376 20 10 CGCDRO Cc1cc(N(C)C)ccc1CN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000817895046 632230469 /nfs/dbraw/zinc/23/04/69/632230469.db2.gz TVPNLHIAZXNSJB-RBUKOAKNSA-N 1 0 295.430 3.295 20 10 CGCDRO Cc1cc(N(C)C)ccc1CN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000817895045 632230749 /nfs/dbraw/zinc/23/07/49/632230749.db2.gz TVPNLHIAZXNSJB-OALUTQOASA-N 1 0 295.430 3.295 20 10 CGCDRO CN(C)c1ccc(CN[C@H]2C[C@@H]([NH3+])c3ccccc32)cc1F ZINC000817900589 632231437 /nfs/dbraw/zinc/23/14/37/632231437.db2.gz OCRMDSFQMSMUDW-SJORKVTESA-N 1 0 299.393 3.126 20 10 CGCDRO CC[NH2+]CCC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817942666 632241826 /nfs/dbraw/zinc/24/18/26/632241826.db2.gz CKSQZMJVQLOVHR-SECBINFHSA-N 1 0 291.222 3.349 20 10 CGCDRO CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000817943344 632242420 /nfs/dbraw/zinc/24/24/20/632242420.db2.gz UOQDAEARPDPENY-ZTFGCOKTSA-N 1 0 289.467 3.311 20 10 CGCDRO CC(C)[C@H]([NH2+]CCc1ccc(N)cc1)c1cccnc1 ZINC000817955682 632249974 /nfs/dbraw/zinc/24/99/74/632249974.db2.gz FHTNSSJMGQVFIG-KRWDZBQOSA-N 1 0 269.392 3.193 20 10 CGCDRO CC(C)[C@@H]([NH2+]CCc1ccc(N)cc1)c1cccnc1 ZINC000817955683 632250333 /nfs/dbraw/zinc/25/03/33/632250333.db2.gz FHTNSSJMGQVFIG-QGZVFWFLSA-N 1 0 269.392 3.193 20 10 CGCDRO C[C@H]([NH2+]CCc1ccc(N)cc1)c1ccc(F)cc1 ZINC000817955850 632251219 /nfs/dbraw/zinc/25/12/19/632251219.db2.gz JFMLIBMKKDRHOX-LBPRGKRZSA-N 1 0 258.340 3.301 20 10 CGCDRO CCCCO[C@@H]1C[C@H]([NH2+]CCc2ccc(N)cc2)C1(C)C ZINC000817956733 632251983 /nfs/dbraw/zinc/25/19/83/632251983.db2.gz BMHVMJJAQQVPQF-DLBZAZTESA-N 1 0 290.451 3.385 20 10 CGCDRO CC(C)[C@H]([NH2+]CCc1ccc(N)cc1)c1ccc(F)cn1 ZINC000817956991 632252172 /nfs/dbraw/zinc/25/21/72/632252172.db2.gz GZPMHTJHYHVQRT-KRWDZBQOSA-N 1 0 287.382 3.332 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCc2ccc(N)cc2)c(O)c1 ZINC000817957965 632253442 /nfs/dbraw/zinc/25/34/42/632253442.db2.gz RREZDFFMCVFKQJ-CYBMUJFWSA-N 1 0 270.376 3.176 20 10 CGCDRO Nc1ccc(CC[NH2+]C2CCc3ccccc3CC2)cc1 ZINC000817957945 632253864 /nfs/dbraw/zinc/25/38/64/632253864.db2.gz RDSOFCRQCMAXET-UHFFFAOYSA-N 1 0 280.415 3.349 20 10 CGCDRO CC[C@H]([NH2+]C[C@H]([NH3+])C(C)C)c1cccc(Cl)c1[O-] ZINC000817959795 632254875 /nfs/dbraw/zinc/25/48/75/632254875.db2.gz VCANBWMHRWJHNU-STQMWFEESA-N 1 0 270.804 3.070 20 10 CGCDRO CCCC[C@@H](CN)[NH2+][C@@H](CC)c1ccc(C)cc1O ZINC000817963068 632258987 /nfs/dbraw/zinc/25/89/87/632258987.db2.gz ROSXTMPNIWNYFJ-ZFWWWQNUSA-N 1 0 264.413 3.259 20 10 CGCDRO CC[C@H]([NH2+]C[C@H](C)[NH3+])c1ccc(Cl)c(Cl)c1[O-] ZINC000817973762 632266750 /nfs/dbraw/zinc/26/67/50/632266750.db2.gz WBXMGOZHCRFRQE-XVKPBYJWSA-N 1 0 277.195 3.087 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](CN)C2CCCC2)c(O)c1C ZINC000817982006 632271898 /nfs/dbraw/zinc/27/18/98/632271898.db2.gz PCURCUILXSOYOX-BBRMVZONSA-N 1 0 276.424 3.177 20 10 CGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)CC3CC3)C2)cc1 ZINC000818344022 632311047 /nfs/dbraw/zinc/31/10/47/632311047.db2.gz HJLXDMBCJSSTBH-GDBMZVCRSA-N 1 0 288.435 3.300 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]C[C@H]1CCC12CCOCC2 ZINC000865779595 632888416 /nfs/dbraw/zinc/88/84/16/632888416.db2.gz YSYQMPPBFGCOGT-CYBMUJFWSA-N 1 0 295.810 3.342 20 10 CGCDRO CC[C@@H](C[C@H](C)O)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000865872169 632931818 /nfs/dbraw/zinc/93/18/18/632931818.db2.gz SIZOTLFSGDLGGQ-RDJZCZTQSA-N 1 0 290.451 3.316 20 10 CGCDRO CO[C@@H](C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C)C1CC1 ZINC000822582354 632976038 /nfs/dbraw/zinc/97/60/38/632976038.db2.gz DIRCIIPWRRCDGA-SFHVURJKSA-N 1 0 290.451 3.388 20 10 CGCDRO c1cnc2c(c1)[C@H]([NH2+]Cc1ccc3c(c1)CCO3)CCC2 ZINC000866253448 633046900 /nfs/dbraw/zinc/04/69/00/633046900.db2.gz ZFKHCOLXBITGMD-QGZVFWFLSA-N 1 0 280.371 3.184 20 10 CGCDRO CCC[C@H](CCO)[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000866414210 633126997 /nfs/dbraw/zinc/12/69/97/633126997.db2.gz AFUVHAKIGONQPX-WZRBSPASSA-N 1 0 281.371 3.220 20 10 CGCDRO C[C@@H]([NH2+]CC[C@@H](O)C(F)F)c1ccc2ccccc2c1O ZINC000866443146 633133403 /nfs/dbraw/zinc/13/34/03/633133403.db2.gz WRBWTSNWWVIJHE-QMTHXVAHSA-N 1 0 295.329 3.212 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)c(O)c1C ZINC000866445844 633136089 /nfs/dbraw/zinc/13/60/89/633136089.db2.gz SLDKBRYMBILMRN-DDMNYJTGSA-N 1 0 287.403 3.083 20 10 CGCDRO CC[C@@H]([NH2+][C@H](C)c1ccnn1C)c1ccc(C)cc1O ZINC000866613337 633213659 /nfs/dbraw/zinc/21/36/59/633213659.db2.gz HLUXOJCXKYGJGO-TZMCWYRMSA-N 1 0 273.380 3.236 20 10 CGCDRO CC[C@@H]([NH2+][C@H]1CCCn2nccc21)c1ccc(C)cc1O ZINC000866633509 633222457 /nfs/dbraw/zinc/22/24/57/633222457.db2.gz JCYRNPIYTUDVMZ-CABCVRRESA-N 1 0 285.391 3.473 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC[C@@H](O)C2CCCC2)c1 ZINC000866638624 633227338 /nfs/dbraw/zinc/22/73/38/633227338.db2.gz RXRCTQHNBRWVSQ-CZUORRHYSA-N 1 0 277.408 3.292 20 10 CGCDRO Oc1ccc(-c2ccccc2)cc1C[N@H+](C1CC1)C1COC1 ZINC000824471677 633248726 /nfs/dbraw/zinc/24/87/26/633248726.db2.gz FZUXEXOYXAAAGD-UHFFFAOYSA-N 1 0 295.382 3.422 20 10 CGCDRO CO[C@H](C[NH2+]Cc1cc(C)c(C)cc1O)Cc1ccccc1 ZINC000824589483 633262363 /nfs/dbraw/zinc/26/23/63/633262363.db2.gz FDWQSRHLPQZGFU-SFHVURJKSA-N 1 0 299.414 3.356 20 10 CGCDRO CC[C@@H]1CCC[C@H]1C[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000824655197 633270008 /nfs/dbraw/zinc/27/00/08/633270008.db2.gz UWKFAUWNMZCLGY-OLZOCXBDSA-N 1 0 293.407 3.325 20 10 CGCDRO C[N@H+](Cc1cc(Cl)ccc1O)[C@H](CO)c1ccccc1 ZINC000824696236 633274258 /nfs/dbraw/zinc/27/42/58/633274258.db2.gz IYYMZEIAJVHOAV-OAHLLOKOSA-N 1 0 291.778 3.211 20 10 CGCDRO Cc1cc(O)c(C[N@@H+](C)[C@H]2CCN(C3CC3)C2)cc1Cl ZINC000824713859 633277712 /nfs/dbraw/zinc/27/77/12/633277712.db2.gz LEIQBRTZRSYFMN-AWEZNQCLSA-N 1 0 294.826 3.023 20 10 CGCDRO CO[C@@H]1CC[N@H+](Cc2c(O)ccc3ccccc32)C[C@@H]1C ZINC000824815670 633295091 /nfs/dbraw/zinc/29/50/91/633295091.db2.gz WJYJLYFVBPQLQS-SCLBCKFNSA-N 1 0 285.387 3.402 20 10 CGCDRO CO[C@H]1CC[N@H+](Cc2cc(Cl)ccc2O)CC1(C)C ZINC000824820512 633297790 /nfs/dbraw/zinc/29/77/90/633297790.db2.gz GVGAGWCYPYYBLR-AWEZNQCLSA-N 1 0 283.799 3.293 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000824892819 633303066 /nfs/dbraw/zinc/30/30/66/633303066.db2.gz CFIJCTSHFVGKHU-CVEARBPZSA-N 1 0 287.403 3.173 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCSC[C@@H]1C1CC1 ZINC000824914533 633305072 /nfs/dbraw/zinc/30/50/72/633305072.db2.gz UHRVQTNUHOKGPX-CYBMUJFWSA-N 1 0 283.824 3.373 20 10 CGCDRO Cc1cccc(C[N@@H+]2C[C@@H](C3CC3)[C@@H]2C2CC2)c1O ZINC000824941584 633309248 /nfs/dbraw/zinc/30/92/48/633309248.db2.gz PUZATDWHCQHUJA-HOTGVXAUSA-N 1 0 257.377 3.321 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)c1O ZINC000824953420 633309971 /nfs/dbraw/zinc/30/99/71/633309971.db2.gz JNQZLXCEZDGSSD-SJORKVTESA-N 1 0 298.386 3.106 20 10 CGCDRO CC1(C)C[C@H](O)CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000825091409 633327610 /nfs/dbraw/zinc/32/76/10/633327610.db2.gz ZKJXLCZSIOGOTP-CYBMUJFWSA-N 1 0 283.799 3.029 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCOC2CCCC2)cc1Cl ZINC000825159565 633333328 /nfs/dbraw/zinc/33/33/28/633333328.db2.gz FNXJOIOKRYYJPR-UHFFFAOYSA-N 1 0 283.799 3.403 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@H](O)CC(C)(C)C)cc1Cl ZINC000825284037 633341648 /nfs/dbraw/zinc/34/16/48/633341648.db2.gz WQOSKAWYNUXLPY-GFCCVEGCSA-N 1 0 285.815 3.241 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H]2CCCC[C@H]2OCC)c1O ZINC000825300130 633343227 /nfs/dbraw/zinc/34/32/27/633343227.db2.gz WWVXAJVHFSGPEK-HUUCEWRRSA-N 1 0 293.407 3.228 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@](C)(O)CC2)cc1Cl ZINC000825739038 633378828 /nfs/dbraw/zinc/37/88/28/633378828.db2.gz WKVLVXPVLWOOCY-HNNXBMFYSA-N 1 0 283.799 3.091 20 10 CGCDRO CO[C@]1(C)CCC[N@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000825737673 633379151 /nfs/dbraw/zinc/37/91/51/633379151.db2.gz CZWKUWYPYNQGER-OAHLLOKOSA-N 1 0 283.799 3.355 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CC2CC(F)(F)C2)cc1Cl ZINC000825959532 633392886 /nfs/dbraw/zinc/39/28/86/633392886.db2.gz PEEPXATXNHLTNK-UHFFFAOYSA-N 1 0 275.726 3.489 20 10 CGCDRO COc1ccncc1C[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825991319 633394385 /nfs/dbraw/zinc/39/43/85/633394385.db2.gz CLGNGRKNABZFSD-UHFFFAOYSA-N 1 0 292.766 3.047 20 10 CGCDRO CC[C@H](COCC1CC1)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000826866774 633438625 /nfs/dbraw/zinc/43/86/25/633438625.db2.gz DEEOASDCSSHASJ-QGZVFWFLSA-N 1 0 290.451 3.356 20 10 CGCDRO COc1ccc(O)c(C[NH+]2CCC(c3ccco3)CC2)c1 ZINC000826877208 633440167 /nfs/dbraw/zinc/44/01/67/633440167.db2.gz CXQIWNGYZLGBET-UHFFFAOYSA-N 1 0 287.359 3.373 20 10 CGCDRO COCC1(C2CCC2)C[NH+](Cc2cc(C)c(C)cc2O)C1 ZINC000827012057 633448543 /nfs/dbraw/zinc/44/85/43/633448543.db2.gz QTLPJZAGPVQCGX-UHFFFAOYSA-N 1 0 289.419 3.258 20 10 CGCDRO COc1cc(O)c(C[NH2+]CCCC2CCC2)cc1OC ZINC000827251864 633475268 /nfs/dbraw/zinc/47/52/68/633475268.db2.gz PQQBESRUSZZSDR-UHFFFAOYSA-N 1 0 279.380 3.079 20 10 CGCDRO Cc1cccc(C[NH2+][C@H]2CCN(C3CCCCC3)C2)c1O ZINC000827260982 633475738 /nfs/dbraw/zinc/47/57/38/633475738.db2.gz UFGQJCUHXWTCFC-INIZCTEOSA-N 1 0 288.435 3.197 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](c1ccccc1)[C@@H](C)O ZINC000827857018 633526102 /nfs/dbraw/zinc/52/61/02/633526102.db2.gz WGCICPOTZZFBSL-DNVCBOLYSA-N 1 0 298.430 3.273 20 10 CGCDRO Cc1cc(C[N@H+]2CC[C@@H](OC(C)C)C2)ccc1N(C)C ZINC000828832599 633659541 /nfs/dbraw/zinc/65/95/41/633659541.db2.gz XXVCFJRALAXDGD-MRXNPFEDSA-N 1 0 276.424 3.060 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)CC2(OC)CCC2)c1 ZINC000845973104 636126010 /nfs/dbraw/zinc/12/60/10/636126010.db2.gz XKGSFGKIRQCNQI-CHWSQXEVSA-N 1 0 293.407 3.399 20 10 CGCDRO COC[C@H](CC(C)C)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000845972140 636126240 /nfs/dbraw/zinc/12/62/40/636126240.db2.gz PEIVBBVOMQMTNR-STQMWFEESA-N 1 0 281.396 3.113 20 10 CGCDRO COc1cccc(O)c1C[NH2+]CC[C@@]1(C)C[C@]1(F)Cl ZINC000846032564 636132564 /nfs/dbraw/zinc/13/25/64/636132564.db2.gz FGLSQHZNNISJDB-UONOGXRCSA-N 1 0 287.762 3.195 20 10 CGCDRO COc1cccc(C[NH2+]CC[C@@]2(C)C[C@@]2(F)Cl)c1O ZINC000846031421 636132586 /nfs/dbraw/zinc/13/25/86/636132586.db2.gz BNJJWINJKUIOMI-KBPBESRZSA-N 1 0 287.762 3.195 20 10 CGCDRO CC1(C)C[C@@H]([NH2+]CCCSc2nccs2)CCO1 ZINC000872039633 633959409 /nfs/dbraw/zinc/95/94/09/633959409.db2.gz UPPQNXOMVXOEDP-NSHDSACASA-N 1 0 286.466 3.173 20 10 CGCDRO CCC[C@H](C)[C@H](CO)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000846184197 636154947 /nfs/dbraw/zinc/15/49/47/636154947.db2.gz RJNIYEVIDKZSJA-VBQJREDUSA-N 1 0 278.440 3.200 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2C[C@@H]3CCC[C@@H]3O2)c1O ZINC000872106394 634029406 /nfs/dbraw/zinc/02/94/06/634029406.db2.gz GADVGMQLEAITGK-ABHRYQDASA-N 1 0 291.391 3.009 20 10 CGCDRO Cc1nccnc1[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000872134079 634057596 /nfs/dbraw/zinc/05/75/96/634057596.db2.gz RAPZDGLKTUTKGH-ONGXEEELSA-N 1 0 275.327 3.042 20 10 CGCDRO C[C@H](C[NH2+][C@@H]1CCc2cccc(O)c21)N1CCCC[C@H]1C ZINC000834508958 634174837 /nfs/dbraw/zinc/17/48/37/634174837.db2.gz UFPAOEABAGWCLH-IIAWOOMASA-N 1 0 288.435 3.232 20 10 CGCDRO C[C@H](CN1CCC[C@@H](C)C1)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834531257 634176281 /nfs/dbraw/zinc/17/62/81/634176281.db2.gz ULHZXUDYAYGTFY-FMKPAKJESA-N 1 0 288.435 3.090 20 10 CGCDRO Cc1ncc2c(n1)CCC[C@H]2[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834590845 634192610 /nfs/dbraw/zinc/19/26/10/634192610.db2.gz ZSOLSHREFNDFBW-HZPDHXFCSA-N 1 0 295.386 3.145 20 10 CGCDRO CC(=O)C1CC[NH+](Cc2cc3c(cc2O)CCCC3)CC1 ZINC000872799855 634211776 /nfs/dbraw/zinc/21/17/76/634211776.db2.gz MSVUPKPQOJFFRH-UHFFFAOYSA-N 1 0 287.403 3.072 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]Cc1ccc3c(c1)COC3)CC2 ZINC000834685226 634219588 /nfs/dbraw/zinc/21/95/88/634219588.db2.gz MLRMDSFTLHIKNV-INIZCTEOSA-N 1 0 281.355 3.200 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2CCC[C@@H]2C)cc1Cn1cccn1 ZINC000873045890 634236136 /nfs/dbraw/zinc/23/61/36/634236136.db2.gz JPSNXSVZYRLVTA-YOEHRIQHSA-N 1 0 299.418 3.218 20 10 CGCDRO CCn1ccnc1[C@H](C)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000834768591 634238902 /nfs/dbraw/zinc/23/89/02/634238902.db2.gz CPSZDHDXMOVNKX-KGLIPLIRSA-N 1 0 286.423 3.381 20 10 CGCDRO CCCOc1ccc(C[NH2+]C[C@@H]2CC[C@H](O)C2)cc1C ZINC000873113251 634248321 /nfs/dbraw/zinc/24/83/21/634248321.db2.gz VZSMBDHFYQWDBJ-CVEARBPZSA-N 1 0 277.408 3.034 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CCC2(C)C)cc1Cn1cccn1 ZINC000873126320 634251467 /nfs/dbraw/zinc/25/14/67/634251467.db2.gz DXDABSQQQMLMQP-QGZVFWFLSA-N 1 0 299.418 3.218 20 10 CGCDRO CCC[C@@H](C[NH2+][C@H](C)c1ccc(C)c(C)c1O)OC ZINC000834839773 634253765 /nfs/dbraw/zinc/25/37/65/634253765.db2.gz CUJJQSTXKLZSJO-KGLIPLIRSA-N 1 0 265.397 3.475 20 10 CGCDRO CCCOc1ccc(C[NH2+]Cc2conc2C)cc1C ZINC000873145609 634258880 /nfs/dbraw/zinc/25/88/80/634258880.db2.gz FBUMATRGQQDKKX-UHFFFAOYSA-N 1 0 274.364 3.370 20 10 CGCDRO CCn1ccnc1C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000834880267 634263077 /nfs/dbraw/zinc/26/30/77/634263077.db2.gz QUYUHUKPRPXAOH-PWSUYJOCSA-N 1 0 289.354 3.086 20 10 CGCDRO CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000834894941 634272519 /nfs/dbraw/zinc/27/25/19/634272519.db2.gz WTELKRHTMDPGHU-GVXVVHGQSA-N 1 0 251.345 3.474 20 10 CGCDRO CO[C@@H]([C@H](C)[NH2+][C@H](C)c1ccc(C)c(C)c1O)C1CC1 ZINC000834901987 634278604 /nfs/dbraw/zinc/27/86/04/634278604.db2.gz CKBRILIQINOHEC-IGCXYCKISA-N 1 0 277.408 3.473 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CC(C)(C)C(C)(C)O)c(O)c1C ZINC000834904809 634281031 /nfs/dbraw/zinc/28/10/31/634281031.db2.gz QLHMHSJBVOPKES-ZDUSSCGKSA-N 1 0 279.424 3.457 20 10 CGCDRO COCC1(C[NH2+][C@@H](C)c2ccccc2O)CCCC1 ZINC000834905771 634282459 /nfs/dbraw/zinc/28/24/59/634282459.db2.gz KYHBTCZCWPJFGJ-ZDUSSCGKSA-N 1 0 263.381 3.250 20 10 CGCDRO C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1ccc(F)cc1[O-] ZINC000834908323 634282935 /nfs/dbraw/zinc/28/29/35/634282935.db2.gz INFQKFUFRHVXNR-GFCCVEGCSA-N 1 0 280.387 3.056 20 10 CGCDRO c1cc(N2CCCCC2)ccc1CN[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000873230139 634292507 /nfs/dbraw/zinc/29/25/07/634292507.db2.gz MPQWTEBTMUVEQI-RTBURBONSA-N 1 0 299.462 3.051 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000873256189 634304933 /nfs/dbraw/zinc/30/49/33/634304933.db2.gz KWXVIDIJZHHRCV-CIUDSAMLSA-N 1 0 289.206 3.087 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2Cc3ccccc3CN2)c1 ZINC000873293258 634323747 /nfs/dbraw/zinc/32/37/47/634323747.db2.gz JXXDSMZFRBPSAJ-PBHICJAKSA-N 1 0 296.414 3.066 20 10 CGCDRO CCC(CC)[C@@H](O)C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835041528 634329206 /nfs/dbraw/zinc/32/92/06/634329206.db2.gz YDHXWCUQXXXMGB-DVBCCOPCSA-N 1 0 290.451 3.153 20 10 CGCDRO Cc1cnc(C[NH2+]C/C=C/c2ccc(N(C)C)cc2)s1 ZINC000835039453 634329453 /nfs/dbraw/zinc/32/94/53/634329453.db2.gz HKPGLWBNVKPPMK-SNAWJCMRSA-N 1 0 287.432 3.321 20 10 CGCDRO CCC(CC)(CO)C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835042630 634330525 /nfs/dbraw/zinc/33/05/25/634330525.db2.gz WLFVOEDAKMJGBS-FPLPWBNLSA-N 1 0 290.451 3.154 20 10 CGCDRO CS[C@@H](C)C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835042409 634330623 /nfs/dbraw/zinc/33/06/23/634330623.db2.gz VFIBUMQOOWMHNL-GFUIURDCSA-N 1 0 264.438 3.107 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@H]2CSC2(C)C)cc1 ZINC000835049030 634335141 /nfs/dbraw/zinc/33/51/41/634335141.db2.gz DMZIQSKQYYGGOE-NFAHFFEMSA-N 1 0 276.449 3.249 20 10 CGCDRO CCC[C@@H](C[NH2+]C/C=C\c1ccc(N(C)C)cc1)OC ZINC000835054697 634338547 /nfs/dbraw/zinc/33/85/47/634338547.db2.gz MENNXNZIIOGJEL-QLBOMPFWSA-N 1 0 276.424 3.171 20 10 CGCDRO COc1cccc(C[NH2+]CC2(C3CCC3)CCC2)c1O ZINC000835059411 634342174 /nfs/dbraw/zinc/34/21/74/634342174.db2.gz RXZNPTOOGASSNK-UHFFFAOYSA-N 1 0 275.392 3.461 20 10 CGCDRO COC[C@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000019904584 634368182 /nfs/dbraw/zinc/36/81/82/634368182.db2.gz SSHREZKKSXEWIS-NWDGAFQWSA-N 1 0 259.349 3.231 20 10 CGCDRO Cc1cc([C@H]2CCC[N@@H+]2Cc2c(C)cccc2O)on1 ZINC000876617213 634869079 /nfs/dbraw/zinc/86/90/79/634869079.db2.gz HJKWNEJKYGJWJY-CQSZACIVSA-N 1 0 272.348 3.334 20 10 CGCDRO CCCO[C@@H]1CCC[N@H+](Cc2ccc(C)cc2O)CC1 ZINC000876720471 634885722 /nfs/dbraw/zinc/88/57/22/634885722.db2.gz IVPWSJNPODGBFR-MRXNPFEDSA-N 1 0 277.408 3.482 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]C[C@@H]1COc2ccccc2C1 ZINC000876876936 634918598 /nfs/dbraw/zinc/91/85/98/634918598.db2.gz MDMUVZAJEFTTDS-CQSZACIVSA-N 1 0 283.371 3.042 20 10 CGCDRO COc1ccc(C[NH2+]Cc2ccc(C)cc2O)cc1F ZINC000876909440 634927137 /nfs/dbraw/zinc/92/71/37/634927137.db2.gz YWBTZYUUJXKFDL-UHFFFAOYSA-N 1 0 275.323 3.138 20 10 CGCDRO CCCOc1ccc(C[NH2+]Cc2c(C)cccc2O)cn1 ZINC000876940655 634933664 /nfs/dbraw/zinc/93/36/64/634933664.db2.gz XTQZEXTZKZPSTR-UHFFFAOYSA-N 1 0 286.375 3.174 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H](C)Cc2ccsc2)c(O)c1 ZINC000876958385 634937970 /nfs/dbraw/zinc/93/79/70/634937970.db2.gz BCWPWTLLFAXCIW-LBPRGKRZSA-N 1 0 261.390 3.483 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]C[C@H]1Cc2ccccc21 ZINC000877015988 634951313 /nfs/dbraw/zinc/95/13/13/634951313.db2.gz HQYLBEAQQLRAHB-CQSZACIVSA-N 1 0 253.345 3.130 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]CCSC(C)(C)C ZINC000877016550 634951576 /nfs/dbraw/zinc/95/15/76/634951576.db2.gz HHHVGVLKSHGAAC-UHFFFAOYSA-N 1 0 253.411 3.322 20 10 CGCDRO Cc1ccc(C[NH2+]C[C@@H]2CCOc3ccccc32)c(O)c1 ZINC000877024497 634953454 /nfs/dbraw/zinc/95/34/54/634953454.db2.gz FXDQCYZWQBUQLS-AWEZNQCLSA-N 1 0 283.371 3.357 20 10 CGCDRO CS[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C)cc2O)C1 ZINC000877037314 634959516 /nfs/dbraw/zinc/95/95/16/634959516.db2.gz ZUXJXKUCYFHZCG-UONOGXRCSA-N 1 0 265.422 3.464 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]CC[C@H]1COc2ccccc2O1 ZINC000877110070 634986332 /nfs/dbraw/zinc/98/63/32/634986332.db2.gz LYULYNOPLPJBTJ-AWEZNQCLSA-N 1 0 299.370 3.020 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]C1CCC(F)(F)CC1 ZINC000877125604 634992776 /nfs/dbraw/zinc/99/27/76/634992776.db2.gz QNVYWVMIIOEHRT-UHFFFAOYSA-N 1 0 255.308 3.368 20 10 CGCDRO Cc1cccc(O)c1C[NH2+][C@@H](C)C[C@@H](O)c1ccccc1 ZINC000877128025 634993645 /nfs/dbraw/zinc/99/36/45/634993645.db2.gz POKNAABLAHSTRY-KBXCAEBGSA-N 1 0 285.387 3.302 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)c(O)c1 ZINC000877129052 634994311 /nfs/dbraw/zinc/99/43/11/634994311.db2.gz HUFOMNFAYGWSJH-VHDGCEQUSA-N 1 0 295.473 3.170 20 10 CGCDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCO[C@@H](CC(C)C)C1 ZINC000877141527 635000032 /nfs/dbraw/zinc/00/00/32/635000032.db2.gz JLGZNGBULLZPAO-CABCVRRESA-N 1 0 277.408 3.384 20 10 CGCDRO Cc1ccc(C[NH2+]C[C@H](c2ccccc2)N(C)C)c(O)c1 ZINC000877142731 635000808 /nfs/dbraw/zinc/00/08/08/635000808.db2.gz UZDXFJFWHLZASS-QGZVFWFLSA-N 1 0 284.403 3.093 20 10 CGCDRO Cc1csc([C@@H](C)C[NH2+]Cc2c(C)cccc2O)n1 ZINC000877332590 635027931 /nfs/dbraw/zinc/02/79/31/635027931.db2.gz DPWUNIRHLDBPKN-NSHDSACASA-N 1 0 276.405 3.359 20 10 CGCDRO Cc1ccc(C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)c(O)c1 ZINC000877398779 635034301 /nfs/dbraw/zinc/03/43/01/635034301.db2.gz IVQNUEIRRKBFCV-IBGZPJMESA-N 1 0 295.382 3.332 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)[C@@H]1C[C@H]1C ZINC000840714581 635040764 /nfs/dbraw/zinc/04/07/64/635040764.db2.gz WAAQEIZQXICNBM-CKEIUWERSA-N 1 0 258.409 3.421 20 10 CGCDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCOc2ccc(F)cc21 ZINC000877459399 635044798 /nfs/dbraw/zinc/04/47/98/635044798.db2.gz JAHFKFDXIHZQAD-OAHLLOKOSA-N 1 0 287.334 3.453 20 10 CGCDRO Cc1cccc(O)c1C[NH2+][C@H]1CCc2cnn(C(C)C)c2C1 ZINC000877472131 635050256 /nfs/dbraw/zinc/05/02/56/635050256.db2.gz KVAVEXSCIZYJDR-HNNXBMFYSA-N 1 0 299.418 3.125 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](C)c2ccn(C)n2)c1O ZINC000840815892 635057658 /nfs/dbraw/zinc/05/76/58/635057658.db2.gz QQLAVYFFXPSXKZ-MNOVXSKESA-N 1 0 293.798 3.499 20 10 CGCDRO COCC[C@H](C)C[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000840836309 635061310 /nfs/dbraw/zinc/06/13/10/635061310.db2.gz XVDVLCWACVHCKH-SMDDNHRTSA-N 1 0 265.397 3.332 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000877523986 635071692 /nfs/dbraw/zinc/07/16/92/635071692.db2.gz OVDXVQODKPEGET-INIZCTEOSA-N 1 0 268.360 3.433 20 10 CGCDRO COc1cccc(C[NH2+]Cc2ccc(C)cc2F)c1O ZINC000877527039 635071713 /nfs/dbraw/zinc/07/17/13/635071713.db2.gz XTAMRBQTNGLWTE-UHFFFAOYSA-N 1 0 275.323 3.138 20 10 CGCDRO Cc1cc(O)c(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000840881634 635073513 /nfs/dbraw/zinc/07/35/13/635073513.db2.gz PBOQHDHPKLGXIX-OLZOCXBDSA-N 1 0 294.826 3.070 20 10 CGCDRO Cc1ccc(C[N@H+](Cc2ccccc2O)C2CCCC2)nn1 ZINC000840917236 635082280 /nfs/dbraw/zinc/08/22/80/635082280.db2.gz HZIKZIXUGKGDMN-UHFFFAOYSA-N 1 0 297.402 3.435 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](CO)C1CCCCC1 ZINC000840935518 635084918 /nfs/dbraw/zinc/08/49/18/635084918.db2.gz RQMYRIJLNQVYKB-GOSISDBHSA-N 1 0 290.451 3.092 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)[C@@H]1CCCCO1 ZINC000840936968 635085916 /nfs/dbraw/zinc/08/59/16/635085916.db2.gz PFGTWMTVCSXTAC-PBHICJAKSA-N 1 0 276.424 3.108 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)[C@H]1CC1(F)F ZINC000840967869 635096029 /nfs/dbraw/zinc/09/60/29/635096029.db2.gz KMADEDHSNKUMMG-MWLCHTKSSA-N 1 0 272.314 3.025 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]CC(C)(C)C1(O)CCCC1 ZINC000877574416 635098222 /nfs/dbraw/zinc/09/82/22/635098222.db2.gz JFASBURKNINSRY-UHFFFAOYSA-N 1 0 277.408 3.122 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2c(C)cccc2O)nc1C ZINC000877583465 635102430 /nfs/dbraw/zinc/10/24/30/635102430.db2.gz HXYAPYPLIDJQEU-UHFFFAOYSA-N 1 0 256.349 3.002 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]C[C@H]1CC12CCSCC2 ZINC000877594656 635106131 /nfs/dbraw/zinc/10/61/31/635106131.db2.gz IEIMXSAQKCYSCZ-CYBMUJFWSA-N 1 0 277.433 3.324 20 10 CGCDRO COc1ccc(N(C)C[C@H]2CC[NH2+][C@@H](C)C2)cc1Cl ZINC000841011826 635106219 /nfs/dbraw/zinc/10/62/19/635106219.db2.gz ONAWGZGESLJWDF-RYUDHWBXSA-N 1 0 282.815 3.173 20 10 CGCDRO Cc1ccc(C[NH2+][C@H](C)[C@@](C)(O)c2ccccc2)c(O)c1 ZINC000877610462 635111405 /nfs/dbraw/zinc/11/14/05/635111405.db2.gz PGSCGSVGONPLDK-RDTXWAMCSA-N 1 0 285.387 3.086 20 10 CGCDRO C[C@@H](CC1CCCC1)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000841046129 635114264 /nfs/dbraw/zinc/11/42/64/635114264.db2.gz WSGDMBLKFBJZPO-KSSFIOAISA-N 1 0 289.467 3.311 20 10 CGCDRO CCCC[C@@H](CC)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000841045833 635114368 /nfs/dbraw/zinc/11/43/68/635114368.db2.gz QYZMDABGMYFYGF-WBVHZDCISA-N 1 0 277.456 3.311 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(C)cc1O)[C@H]1CCCCO1 ZINC000877619351 635116317 /nfs/dbraw/zinc/11/63/17/635116317.db2.gz WWBMNNFGNYZUKT-GOEBONIOSA-N 1 0 263.381 3.138 20 10 CGCDRO CSCC1(CC[NH2+]Cc2c(C)cccc2O)CC1 ZINC000877625484 635118683 /nfs/dbraw/zinc/11/86/83/635118683.db2.gz ZCNNRNKEUISBRO-UHFFFAOYSA-N 1 0 265.422 3.324 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)cc1Cl ZINC000877682372 635143829 /nfs/dbraw/zinc/14/38/29/635143829.db2.gz NHCNEQKXSPLUAB-GIPNMCIBSA-N 1 0 269.772 3.010 20 10 CGCDRO Cc1ccc(C[NH2+]C(C)(C)[C@@H]2CCCCO2)c(O)c1 ZINC000877701922 635152824 /nfs/dbraw/zinc/15/28/24/635152824.db2.gz DAXWZUNBYRLKQD-HNNXBMFYSA-N 1 0 263.381 3.138 20 10 CGCDRO C[C@@H]([NH2+]Cc1cnc(C2CC2)o1)c1ccccc1O ZINC000877755469 635183898 /nfs/dbraw/zinc/18/38/98/635183898.db2.gz CAXDINGKPPVXTP-SNVBAGLBSA-N 1 0 258.321 3.108 20 10 CGCDRO COc1ccsc1C[NH2+][C@@H](C)c1ccccc1O ZINC000877757107 635186258 /nfs/dbraw/zinc/18/62/58/635186258.db2.gz GSOLTJMBDAXNIV-JTQLQIEISA-N 1 0 263.362 3.313 20 10 CGCDRO CCOc1cccc(C[NH2+][C@H](C)c2ccccc2O)n1 ZINC000877756627 635186294 /nfs/dbraw/zinc/18/62/94/635186294.db2.gz ZUZOIJIAADHUPF-GFCCVEGCSA-N 1 0 272.348 3.037 20 10 CGCDRO CCc1nn(C)c(Cl)c1C[NH2+][C@@H](C)c1ccccc1O ZINC000877757346 635186310 /nfs/dbraw/zinc/18/63/10/635186310.db2.gz RSPYAKYGUYMFNL-JTQLQIEISA-N 1 0 293.798 3.192 20 10 CGCDRO C[C@H]([NH2+][C@@H](C)C1CC(F)(F)C1)c1ccccc1O ZINC000877758393 635187581 /nfs/dbraw/zinc/18/75/81/635187581.db2.gz XWTBZGRLVPFKNO-UWVGGRQHSA-N 1 0 255.308 3.477 20 10 CGCDRO CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841744193 635222321 /nfs/dbraw/zinc/22/23/21/635222321.db2.gz MTTYKKMKLJIIRC-GFCCVEGCSA-N 1 0 284.831 3.427 20 10 CGCDRO C[C@@H]([NH2+]C[C@](C)(O)C(F)(F)F)c1ccc(Cl)cc1O ZINC000841750804 635225770 /nfs/dbraw/zinc/22/57/70/635225770.db2.gz JDRJKWAZTBVHQG-HQJQHLMTSA-N 1 0 297.704 3.010 20 10 CGCDRO CO[C@H](C[NH2+][C@H](C)c1ccc(Cl)cc1O)C(F)(F)F ZINC000841749875 635226063 /nfs/dbraw/zinc/22/60/63/635226063.db2.gz IUGMVGWHBYPCEX-RDDDGLTNSA-N 1 0 297.704 3.274 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2COCc3ccccc32)c1 ZINC000841891761 635249171 /nfs/dbraw/zinc/24/91/71/635249171.db2.gz UERPLJUVIJYVHB-QGZVFWFLSA-N 1 0 299.370 3.152 20 10 CGCDRO C[N@@H+](Cc1ccccc1O)C[C@H]1CCCC(C)(C)O1 ZINC000878241480 635428608 /nfs/dbraw/zinc/42/86/08/635428608.db2.gz GEZNGQIEQDHSDI-CQSZACIVSA-N 1 0 263.381 3.172 20 10 CGCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(C)c(C)cc2O)[C@@H]1SC ZINC000842767446 635466593 /nfs/dbraw/zinc/46/65/93/635466593.db2.gz UFQBZWYSZQOGTP-BMFZPTHFSA-N 1 0 295.448 3.008 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCS[C@@H]2C)c(Cl)c1 ZINC000842780988 635470955 /nfs/dbraw/zinc/47/09/55/635470955.db2.gz XJNFSEWZLKVHTP-BXKDBHETSA-N 1 0 271.813 3.338 20 10 CGCDRO CC[C@H](C)C[C@H](CO)[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000842916410 635511672 /nfs/dbraw/zinc/51/16/72/635511672.db2.gz JQXWNCITHZZWCF-NILFDRSVSA-N 1 0 279.424 3.457 20 10 CGCDRO CCCN(CCC)c1ccc(CN2CC[C@@H]([NH2+]C)C2)cc1 ZINC000843044439 635549393 /nfs/dbraw/zinc/54/93/93/635549393.db2.gz BYYIIBFAFHAACR-QGZVFWFLSA-N 1 0 289.467 3.107 20 10 CGCDRO c1cc(N2CCCCC2)ccc1CN1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000843104836 635558442 /nfs/dbraw/zinc/55/84/42/635558442.db2.gz MTOFBOIRZXDZCO-HDICACEKSA-N 1 0 299.462 3.003 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@@H](OC(C)C)C1 ZINC000843413766 635661305 /nfs/dbraw/zinc/66/13/05/635661305.db2.gz QJJNOBLUSVDURV-QGZVFWFLSA-N 1 0 276.424 3.060 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(F)c(F)c1)c1ccccc1O ZINC000879649304 635826722 /nfs/dbraw/zinc/82/67/22/635826722.db2.gz QCIAQZWUTJBJJD-QLJPJBMISA-N 1 0 293.313 3.055 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CC[C@H]2C(C)C)c1 ZINC000845971363 636125278 /nfs/dbraw/zinc/12/52/78/636125278.db2.gz JBWHNQKZGXGUFN-WHOFXGATSA-N 1 0 263.381 3.486 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](C)c1cccc(OC)c1O)C1CCOCC1 ZINC000846144049 636149255 /nfs/dbraw/zinc/14/92/55/636149255.db2.gz FWFLYYVHNNEOFJ-SWLSCSKDSA-N 1 0 293.407 3.257 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]CCc2cnc(C)s2)c1O ZINC000846154507 636150284 /nfs/dbraw/zinc/15/02/84/636150284.db2.gz ACRGCBOPGKXZAT-JTQLQIEISA-N 1 0 292.404 3.059 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)Cc2ccncc2)c1O ZINC000846150942 636150672 /nfs/dbraw/zinc/15/06/72/636150672.db2.gz TWEXDGCGYQHYJE-STQMWFEESA-N 1 0 286.375 3.078 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+][C@H]2CC23CCCC3)c1O ZINC000846164769 636151088 /nfs/dbraw/zinc/15/10/88/636151088.db2.gz IHNJYTWFWRYHBX-RISCZKNCSA-N 1 0 261.365 3.384 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@H](CC(C)C)OC)c1O ZINC000846172279 636153699 /nfs/dbraw/zinc/15/36/99/636153699.db2.gz KFVMMRSSZKJLEI-STQMWFEESA-N 1 0 281.396 3.113 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)c1cc(Cl)ccc1O ZINC000846191548 636156940 /nfs/dbraw/zinc/15/69/40/636156940.db2.gz WQUVMEUOSBTTRM-OPQSFPLASA-N 1 0 281.783 3.406 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)COCC2CC2)c1 ZINC000846206033 636158735 /nfs/dbraw/zinc/15/87/35/636158735.db2.gz UHABEUMQUDZACP-OLZOCXBDSA-N 1 0 263.381 3.166 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H](C)N(C)C2CC2)cc1 ZINC000130805602 636515449 /nfs/dbraw/zinc/51/54/49/636515449.db2.gz OHTCRTXLEAYRNO-CABCVRRESA-N 1 0 289.467 3.276 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@]2(c3ccccc3)C[C@@H](O)C2)cc1C ZINC000883234618 636604308 /nfs/dbraw/zinc/60/43/08/636604308.db2.gz JAPVPUJFSJRJES-IZAXUBKRSA-N 1 0 297.398 3.149 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCc2ccns2)c(O)c1C ZINC000883247215 636616303 /nfs/dbraw/zinc/61/63/03/636616303.db2.gz CGJYCUJLHIJXTB-GFCCVEGCSA-N 1 0 276.405 3.359 20 10 CGCDRO CC[C@H]([NH2+]C[C@H]1C[C@H](OC)C1)c1ccc(N(C)C)cc1 ZINC000883270623 636641822 /nfs/dbraw/zinc/64/18/22/636641822.db2.gz RZLFICFMCISVEZ-JQFCIGGWSA-N 1 0 276.424 3.218 20 10 CGCDRO CCc1cccc(C[N@H+](C)Cc2ccccc2O)c1O ZINC000848881878 636672181 /nfs/dbraw/zinc/67/21/81/636672181.db2.gz IZZDRQFHFMKMAP-UHFFFAOYSA-N 1 0 271.360 3.292 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@H]2COc3ccccc3C2)c1O ZINC000848890322 636677854 /nfs/dbraw/zinc/67/78/54/636677854.db2.gz GXDWAVXZAPMOAF-AWEZNQCLSA-N 1 0 297.398 3.296 20 10 CGCDRO CCc1cccc(C[NH2+]Cc2cccc(N(C)C)c2)c1O ZINC000848894663 636678723 /nfs/dbraw/zinc/67/87/23/636678723.db2.gz GFQBBDZDPNXHMB-UHFFFAOYSA-N 1 0 284.403 3.310 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H](C)CCc2cccn2C)c1O ZINC000848896644 636679744 /nfs/dbraw/zinc/67/97/44/636679744.db2.gz FUDRGOZCDDMAAE-AWEZNQCLSA-N 1 0 286.419 3.404 20 10 CGCDRO CCO[C@H]1C[C@H]([NH2+]Cc2cccc(CC)c2O)C12CCC2 ZINC000848897001 636680050 /nfs/dbraw/zinc/68/00/50/636680050.db2.gz LYWIGHWGXDDEJD-HOTGVXAUSA-N 1 0 289.419 3.392 20 10 CGCDRO CCc1cccc(C[NH2+]CCCC(=O)OC(C)(C)C)c1O ZINC000848898337 636680546 /nfs/dbraw/zinc/68/05/46/636680546.db2.gz UIDUHYFHQBMUEP-UHFFFAOYSA-N 1 0 293.407 3.166 20 10 CGCDRO CCO[C@H](CC[NH2+]Cc1cccc(CC)c1O)C(C)C ZINC000848897633 636680554 /nfs/dbraw/zinc/68/05/54/636680554.db2.gz KRGBGMYRSYHZOM-MRXNPFEDSA-N 1 0 279.424 3.495 20 10 CGCDRO CCc1cccc(C[NH2+][C@H]2CN(C)Cc3ccccc32)c1O ZINC000848901190 636681765 /nfs/dbraw/zinc/68/17/65/636681765.db2.gz WIBPBGHUOGZSQF-SFHVURJKSA-N 1 0 296.414 3.231 20 10 CGCDRO CCOC1CC(CC[NH2+]Cc2cccc(CC)c2O)C1 ZINC000848905936 636683772 /nfs/dbraw/zinc/68/37/72/636683772.db2.gz NDCOHGOBYBKUNP-UHFFFAOYSA-N 1 0 277.408 3.249 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCCC[C@H]2c2cc[nH]n2)c1O ZINC000848910318 636686358 /nfs/dbraw/zinc/68/63/58/636686358.db2.gz IUIPHKYTOFUDDN-INIZCTEOSA-N 1 0 285.391 3.405 20 10 CGCDRO CCc1cccc(CN2CC[C@H]([NH+]3CCCC3)[C@H]2C)c1O ZINC000848910516 636686453 /nfs/dbraw/zinc/68/64/53/636686453.db2.gz KYZKSISQDYKBEI-PBHICJAKSA-N 1 0 288.435 3.013 20 10 CGCDRO CCc1cccc(C[NH2+]CC[C@@H](O)c2ccccc2)c1O ZINC000848912634 636687716 /nfs/dbraw/zinc/68/77/16/636687716.db2.gz UTDFURMCWHGZBI-QGZVFWFLSA-N 1 0 285.387 3.168 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@H]2CCO[C@H](C(C)C)C2)c1O ZINC000848915418 636688838 /nfs/dbraw/zinc/68/88/38/636688838.db2.gz HLLXRNYNYZIIMT-YOEHRIQHSA-N 1 0 291.435 3.495 20 10 CGCDRO CCc1cccc(C[N@@H+]2C[C@H](O)C[C@H]2c2ccccc2)c1O ZINC000848916100 636689784 /nfs/dbraw/zinc/68/97/84/636689784.db2.gz CQZAUMWCBWQLIB-MSOLQXFVSA-N 1 0 297.398 3.263 20 10 CGCDRO CCc1cccc(C[NH2+]C2CCC(COC)CC2)c1O ZINC000848916823 636690129 /nfs/dbraw/zinc/69/01/29/636690129.db2.gz NIXTZNLCYGFCQA-UHFFFAOYSA-N 1 0 277.408 3.249 20 10 CGCDRO CCc1cccc(C[NH2+]CC(C)(C)OCC2CC2)c1O ZINC000848916172 636690411 /nfs/dbraw/zinc/69/04/11/636690411.db2.gz DUTBXKQCZFAGSA-UHFFFAOYSA-N 1 0 277.408 3.249 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H](CC)[C@@H]2CCCOC2)c1O ZINC000883352409 636693430 /nfs/dbraw/zinc/69/34/30/636693430.db2.gz ALAYAFNPGLNETI-CABCVRRESA-N 1 0 293.407 3.086 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@H](C)C(=O)OC(C)(C)C)c1O ZINC000848925649 636697917 /nfs/dbraw/zinc/69/79/17/636697917.db2.gz AUBQGYUSKCZPIS-LBPRGKRZSA-N 1 0 293.407 3.022 20 10 CGCDRO COc1ccc(N2CC[NH+]([C@@H]3C=CCCC3)CC2)cc1F ZINC000084866462 636768362 /nfs/dbraw/zinc/76/83/62/636768362.db2.gz XAMGYIBZXJZWPA-CQSZACIVSA-N 1 0 290.382 3.065 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+]CCCC(C)C)C2)cc1 ZINC000850347586 637022646 /nfs/dbraw/zinc/02/26/46/637022646.db2.gz UHNBYDDIYZCWRG-HNNXBMFYSA-N 1 0 276.424 3.300 20 10 CGCDRO CC[C@H](COCC1CC1)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000850349149 637022822 /nfs/dbraw/zinc/02/28/22/637022822.db2.gz CVHQWVLFNPFZOT-MRXNPFEDSA-N 1 0 276.424 3.047 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@](C)(CC)CCO)cc1 ZINC000134467004 637023614 /nfs/dbraw/zinc/02/36/14/637023614.db2.gz NMGWHYFTGBWNAB-KRWDZBQOSA-N 1 0 278.440 3.174 20 10 CGCDRO CCOc1ccc(C[NH2+]CCCOC(C)(C)C)c(O)c1 ZINC000850370464 637033224 /nfs/dbraw/zinc/03/32/24/637033224.db2.gz OZEZIBGRFMUKCQ-UHFFFAOYSA-N 1 0 281.396 3.086 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](O)c3ccccc32)cc1C ZINC000850372708 637035947 /nfs/dbraw/zinc/03/59/47/637035947.db2.gz XQYQDWOPFUYYTM-IRXDYDNUSA-N 1 0 283.371 3.272 20 10 CGCDRO COc1ccc(N2CCC([NH2+]CCC(C)(C)F)CC2)cc1 ZINC000850374709 637037294 /nfs/dbraw/zinc/03/72/94/637037294.db2.gz ODAJYLCZQROARA-UHFFFAOYSA-N 1 0 294.414 3.392 20 10 CGCDRO COc1cccc(Cl)c1C[NH2+]Cc1ccccc1O ZINC000134783503 637038012 /nfs/dbraw/zinc/03/80/12/637038012.db2.gz ZIFSDHYPTHOGEL-UHFFFAOYSA-N 1 0 277.751 3.344 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]CCc1noc3ccccc31)CC2 ZINC000850483879 637087113 /nfs/dbraw/zinc/08/71/13/637087113.db2.gz XGXYMJLCIKFJFI-OAHLLOKOSA-N 1 0 294.354 3.353 20 10 CGCDRO CC[C@H]([NH2+][C@@H](CO)C1CCC1)c1cc(Cl)ccc1O ZINC000850487317 637087817 /nfs/dbraw/zinc/08/78/17/637087817.db2.gz HNEYJWJCDZYYLG-KBPBESRZSA-N 1 0 283.799 3.247 20 10 CGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)CCC3CC3)C2)cc1 ZINC000850488433 637088102 /nfs/dbraw/zinc/08/81/02/637088102.db2.gz MRWCCOZXDKVJOW-GOEBONIOSA-N 1 0 288.435 3.442 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)C3CCCC3)C2)cc1 ZINC000850488631 637088481 /nfs/dbraw/zinc/08/84/81/637088481.db2.gz OCTOKRHPSRBXKH-HOCLYGCPSA-N 1 0 288.435 3.442 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+][C@H]3CC[C@@H]3C3CC3)C2)cc1 ZINC000850488837 637088777 /nfs/dbraw/zinc/08/87/77/637088777.db2.gz USHLPUDJJKNOLW-QGTPRVQTSA-N 1 0 286.419 3.052 20 10 CGCDRO OC/C=C/C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000850506888 637093899 /nfs/dbraw/zinc/09/38/99/637093899.db2.gz CLSQYTSRZQSBPE-DKFQHHCZSA-N 1 0 297.398 3.204 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1C=CCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000850511889 637097098 /nfs/dbraw/zinc/09/70/98/637097098.db2.gz QAORAPVSBUPHGE-UKRRQHHQSA-N 1 0 290.382 3.032 20 10 CGCDRO C[C@H]([NH2+][C@@H]1C=CCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000850511887 637097159 /nfs/dbraw/zinc/09/71/59/637097159.db2.gz QAORAPVSBUPHGE-DZGCQCFKSA-N 1 0 290.382 3.032 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+][C@@H]2COC3(CCC3)C2)c(O)c1 ZINC000850523874 637103109 /nfs/dbraw/zinc/10/31/09/637103109.db2.gz QLMRZUNKERHDAS-KGLIPLIRSA-N 1 0 275.392 3.371 20 10 CGCDRO CC[C@@H](O)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000850528115 637106418 /nfs/dbraw/zinc/10/64/18/637106418.db2.gz FPAOKKMEIWQKHP-AEFFLSMTSA-N 1 0 299.414 3.427 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@]23OCCC[C@H]2C3(F)F)c(O)c1 ZINC000850532049 637109395 /nfs/dbraw/zinc/10/93/95/637109395.db2.gz JAHQIBKLOXGOQT-GLQYFDAESA-N 1 0 297.345 3.166 20 10 CGCDRO C[C@H]([NH2+]CC[C@@]1(C)CC1(F)F)c1ccccc1O ZINC000850535813 637112124 /nfs/dbraw/zinc/11/21/24/637112124.db2.gz BYEKILSPUDJPFA-GWCFXTLKSA-N 1 0 255.308 3.478 20 10 CGCDRO C[C@@H]([NH2+]C[C@H](CO)CC1CC1)c1cc(Cl)ccc1O ZINC000850544773 637115886 /nfs/dbraw/zinc/11/58/86/637115886.db2.gz JSVSIMPOGCDVCA-ZYHUDNBSSA-N 1 0 283.799 3.105 20 10 CGCDRO C[C@H](CN1CCC(C)CC1)[NH2+][C@H](C)c1ccccc1O ZINC000850543238 637115969 /nfs/dbraw/zinc/11/59/69/637115969.db2.gz GTCTZPKAJRGFOH-HUUCEWRRSA-N 1 0 276.424 3.163 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2nccn2C)c(O)c1C ZINC000850571801 637128986 /nfs/dbraw/zinc/12/89/86/637128986.db2.gz AZXNAMDIIRGEIP-OLZOCXBDSA-N 1 0 273.380 3.154 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](C)c2nccn2C)c1O ZINC000850573200 637129644 /nfs/dbraw/zinc/12/96/44/637129644.db2.gz WLXHDGGHXJZQSC-MNOVXSKESA-N 1 0 293.798 3.499 20 10 CGCDRO Cc1coc(C[NH2+]Cc2ccc3c(c2)CCCN3C)c1 ZINC000885954045 637328842 /nfs/dbraw/zinc/32/88/42/637328842.db2.gz LYNKOZUNXMLIAT-UHFFFAOYSA-N 1 0 270.376 3.260 20 10 CGCDRO CCCC[N@H+](CCC(OC)OC)Cc1ccccc1O ZINC000852019086 637574532 /nfs/dbraw/zinc/57/45/32/637574532.db2.gz UNPIINQUITZHBL-UHFFFAOYSA-N 1 0 281.396 3.003 20 10 CGCDRO Cc1cc(C[N@H+]2CCC[C@H](C)[C@H]2CCO)ccc1N(C)C ZINC000852461399 637654155 /nfs/dbraw/zinc/65/41/55/637654155.db2.gz IQSASNBODIXUGB-KBXCAEBGSA-N 1 0 290.451 3.044 20 10 CGCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]CCOCCF ZINC000853091207 637754697 /nfs/dbraw/zinc/75/46/97/637754697.db2.gz AMBPYBMAHFXNQF-UHFFFAOYSA-N 1 0 289.350 3.135 20 10 CGCDRO CCn1nccc1C[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000853241646 637791673 /nfs/dbraw/zinc/79/16/73/637791673.db2.gz WQGURYKGWKBLPV-JTQLQIEISA-N 1 0 279.771 3.113 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccnn1CC)c1ccc(N(C)C)cc1 ZINC000853242060 637792497 /nfs/dbraw/zinc/79/24/97/637792497.db2.gz ZYFSFNDNUYGHMN-KRWDZBQOSA-N 1 0 286.423 3.210 20 10 CGCDRO C[N@H+](Cc1ccc(-n2ccnc2)cc1)Cc1ccccc1O ZINC000111235877 637804387 /nfs/dbraw/zinc/80/43/87/637804387.db2.gz IVGNJVJXJDVLHD-UHFFFAOYSA-N 1 0 293.370 3.210 20 10 CGCDRO CCCC(C)(C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000111387340 637860627 /nfs/dbraw/zinc/86/06/27/637860627.db2.gz YTBGDPABTYXVMD-UHFFFAOYSA-N 1 0 276.424 3.192 20 10 CGCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H]3C[C@@H]3C1)CCCC2 ZINC000853578848 637869078 /nfs/dbraw/zinc/86/90/78/637869078.db2.gz XRCPPKJOQNVCMP-HUUCEWRRSA-N 1 0 257.377 3.113 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCc2cc(N)ccc21)c1ccccc1O ZINC000854225358 638028024 /nfs/dbraw/zinc/02/80/24/638028024.db2.gz DJECUFWNAXSQOW-MEDUHNTESA-N 1 0 268.360 3.313 20 10 CGCDRO C[NH2+]C[C@@H](C)N[C@@H](CCc1ccccc1)c1ccccc1O ZINC000854232237 638030003 /nfs/dbraw/zinc/03/00/03/638030003.db2.gz OIVFPKSESFRQNV-QAPCUYQASA-N 1 0 298.430 3.264 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCCC[C@H]2CCCO)cc1 ZINC000924574299 638365729 /nfs/dbraw/zinc/36/57/29/638365729.db2.gz NEIOCMHSIGIRIH-WMZOPIPTSA-N 1 0 290.451 3.174 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+]CC[C@H]2CC2(F)F)cc1 ZINC000856802966 638392141 /nfs/dbraw/zinc/39/21/41/638392141.db2.gz WHKXSEATULCFCG-NQHOJNORSA-N 1 0 280.362 3.401 20 10 CGCDRO CCOCc1cc(C[NH2+]CC2CC(C)C2)ccc1OC ZINC000856811971 638394868 /nfs/dbraw/zinc/39/48/68/638394868.db2.gz UZBQTILWAHAICI-UHFFFAOYSA-N 1 0 277.408 3.367 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C1CCSCC1 ZINC000115629402 638569446 /nfs/dbraw/zinc/56/94/46/638569446.db2.gz XSMWBZOVAJBSMN-UHFFFAOYSA-N 1 0 264.438 3.046 20 10 CGCDRO C[C@@H]([NH2+]CCC(C)(C)[NH3+])c1ccc(Cl)c(Cl)c1[O-] ZINC000925739597 638591948 /nfs/dbraw/zinc/59/19/48/638591948.db2.gz ZVPUJCQCIJYJFM-MRVPVSSYSA-N 1 0 291.222 3.477 20 10 CGCDRO Cc1ccc(O[C@H]2CC[N@H+](Cc3cccc(C)c3O)C2)nc1 ZINC000858013612 638618093 /nfs/dbraw/zinc/61/80/93/638618093.db2.gz USWYQJOUBFKODF-INIZCTEOSA-N 1 0 298.386 3.057 20 10 CGCDRO CN(C)c1cc(F)c(C[NH2+]CCC(C)(F)F)cc1F ZINC000858170550 638648613 /nfs/dbraw/zinc/64/86/13/638648613.db2.gz NQVXEGCAWJKYFC-UHFFFAOYSA-N 1 0 278.293 3.166 20 10 CGCDRO CC(C)CC[C@@H](CO)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000858241253 638663094 /nfs/dbraw/zinc/66/30/94/638663094.db2.gz NHXCXOXILXEJCW-RTRPANQVSA-N 1 0 290.451 3.153 20 10 CGCDRO CCOc1ccc(C[NH2+]C[C@@H]2CCCC23CC3)c(O)c1 ZINC000858332511 638684095 /nfs/dbraw/zinc/68/40/95/638684095.db2.gz KAALAJWXWNQNOR-AWEZNQCLSA-N 1 0 275.392 3.461 20 10 CGCDRO C[C@H]([NH2+]C1CC2(C1)CO[C@@H](C)C2)c1ccc(N(C)C)cc1 ZINC000926211096 638742105 /nfs/dbraw/zinc/74/21/05/638742105.db2.gz WRQBIZLGAQNWMQ-GPIMWBBRSA-N 1 0 288.435 3.361 20 10 CGCDRO C/C=C\C[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000858538416 638757403 /nfs/dbraw/zinc/75/74/03/638757403.db2.gz UOTYBPSCGXYIAL-TYRPZCRBSA-N 1 0 270.170 3.381 20 10 CGCDRO C[C@@H]([NH2+]C[C@]1(C)CCCCO1)c1cc(F)ccc1O ZINC000927023318 638833090 /nfs/dbraw/zinc/83/30/90/638833090.db2.gz UVBGVLLLYKEUJN-ABAIWWIYSA-N 1 0 267.344 3.141 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2cccc3c2OCC3)c1 ZINC000927090272 638840192 /nfs/dbraw/zinc/84/01/92/638840192.db2.gz JWROANIBHAVUPI-ZDUSSCGKSA-N 1 0 283.371 3.486 20 10 CGCDRO CCc1onc(C)c1C[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000927138612 638846835 /nfs/dbraw/zinc/84/68/35/638846835.db2.gz GTMGGWPKCJFOGG-NSHDSACASA-N 1 0 274.364 3.410 20 10 CGCDRO CN(Cc1coc(C(C)(C)C)n1)Cc1ccccc1O ZINC000929976393 638965563 /nfs/dbraw/zinc/96/55/63/638965563.db2.gz OIWQTIIGIJVKMK-UHFFFAOYSA-N 1 0 274.364 3.310 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)c2ccns2)c1O ZINC000858576683 638996502 /nfs/dbraw/zinc/99/65/02/638996502.db2.gz MDHOAEFDKIWBKA-ZJUUUORDSA-N 1 0 278.377 3.269 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@H](C)c2ccns2)c1O ZINC000858576682 638997008 /nfs/dbraw/zinc/99/70/08/638997008.db2.gz MDHOAEFDKIWBKA-VHSXEESVSA-N 1 0 278.377 3.269 20 10 CGCDRO CCO[C@H](C[NH2+][C@@H](C)c1ccc(N(C)C)cc1)C1CC1 ZINC000859257433 639120939 /nfs/dbraw/zinc/12/09/39/639120939.db2.gz BDIDEDLJNLKHAS-SUMWQHHRSA-N 1 0 276.424 3.218 20 10 CGCDRO CC(C)C[C@@H](CO)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000040774841 639895959 /nfs/dbraw/zinc/89/59/59/639895959.db2.gz JTQSWEGQMDFZFC-KRWDZBQOSA-N 1 0 290.451 3.174 20 10 CGCDRO CC[C@@H]([NH2+][C@H]1COc2ccccc2C1)c1ccccc1O ZINC000155437626 639934839 /nfs/dbraw/zinc/93/48/39/639934839.db2.gz MXUOZXWSLFSMFW-GDBMZVCRSA-N 1 0 283.371 3.437 20 10 CGCDRO CCOC[C@@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)C(C)C ZINC000189355951 640188325 /nfs/dbraw/zinc/18/83/25/640188325.db2.gz UCYMJKJOYIHMBD-RHSMWYFYSA-N 1 0 278.440 3.464 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2CCC=CO2)cc1 ZINC000189563738 640199441 /nfs/dbraw/zinc/19/94/41/640199441.db2.gz OYNGJUTYEFLVEK-QGZVFWFLSA-N 1 0 274.408 3.315 20 10 CGCDRO COc1cccc(C[NH2+][C@H]2CCC[C@H](C)CC2)c1O ZINC000191112950 640290005 /nfs/dbraw/zinc/29/00/05/640290005.db2.gz DVEPEKVWUQHAOT-JSGCOSHPSA-N 1 0 263.381 3.459 20 10 CGCDRO C[C@H]1CC[N@H+](Cc2cc3c(cc2O)CCC3)CCS1 ZINC000191659430 640325757 /nfs/dbraw/zinc/32/57/57/640325757.db2.gz HTARTDYWTIAYSW-LBPRGKRZSA-N 1 0 277.433 3.208 20 10 CGCDRO CCC[N@H+](Cc1ccccc1O)Cc1cccnc1OC ZINC000193364993 640453077 /nfs/dbraw/zinc/45/30/77/640453077.db2.gz SSNYVHKNPPISCM-UHFFFAOYSA-N 1 0 286.375 3.208 20 10 CGCDRO CC[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000088296481 640616385 /nfs/dbraw/zinc/61/63/85/640616385.db2.gz PMEUNMMHCGRJON-JKSUJKDBSA-N 1 0 290.451 3.438 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2CCCCC[C@@H]2C)c(O)c1 ZINC000088507703 640618661 /nfs/dbraw/zinc/61/86/61/640618661.db2.gz PBEFIBVBSRXJGZ-WFASDCNBSA-N 1 0 263.381 3.459 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]CCc2ccc(F)cc2C)c1 ZINC000088510455 640619012 /nfs/dbraw/zinc/61/90/12/640619012.db2.gz ZCNRQKVXXLQNLH-UHFFFAOYSA-N 1 0 273.351 3.480 20 10 CGCDRO CC(=O)c1cc(Cl)cc(C[NH+]2C[C@@H](C)[C@H](C)C2)c1O ZINC000092086290 640730949 /nfs/dbraw/zinc/73/09/49/640730949.db2.gz DWKXZWUFOYOMMV-NXEZZACHSA-N 1 0 281.783 3.336 20 10 CGCDRO C[C@H](C[C@H](O)c1ccco1)[NH2+][C@H](C)c1ccccc1O ZINC000248386785 640753804 /nfs/dbraw/zinc/75/38/04/640753804.db2.gz NXGGPMJHJZWOSR-JMSVASOKSA-N 1 0 275.348 3.148 20 10 CGCDRO COc1cccc(C[N@@H+]2C[C@H](C)[C@@H]3CCCC[C@@H]32)c1O ZINC000248373381 640754149 /nfs/dbraw/zinc/75/41/49/640754149.db2.gz IKNXBNLLDLGTSI-QEJZJMRPSA-N 1 0 275.392 3.411 20 10 CGCDRO COc1ccccc1CC[N@H+](C)Cc1cc(C)ccc1O ZINC000093105292 640757102 /nfs/dbraw/zinc/75/71/02/640757102.db2.gz JUFPYIONYRQKIR-UHFFFAOYSA-N 1 0 285.387 3.384 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C2C[C@H](C)O[C@@H](C)C2)c(O)c1 ZINC000248489850 640763181 /nfs/dbraw/zinc/76/31/81/640763181.db2.gz HOKSUTALOUACJE-AVGNSLFASA-N 1 0 263.381 3.307 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](C)N2CCC[C@@H](C)C2)c1 ZINC000248490314 640763243 /nfs/dbraw/zinc/76/32/43/640763243.db2.gz HZWCGNMWOZDJBS-PMPSAXMXSA-N 1 0 290.451 3.472 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000248514584 640765944 /nfs/dbraw/zinc/76/59/44/640765944.db2.gz NOZCDUFLYQUCHY-CRWXNKLISA-N 1 0 263.381 3.307 20 10 CGCDRO CCCN1CCC([NH2+][C@H](C)c2cc(F)ccc2O)CC1 ZINC000094616974 640799217 /nfs/dbraw/zinc/79/92/17/640799217.db2.gz HRRGEAIUHJSIRH-GFCCVEGCSA-N 1 0 280.387 3.056 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)C[C@@H](O)c2ccco2)c1 ZINC000252952309 640867248 /nfs/dbraw/zinc/86/72/48/640867248.db2.gz NJUDAUZJXDJRCH-DVOMOZLQSA-N 1 0 289.375 3.456 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]C[C@@H](O)C1CCCCC1 ZINC000113334863 640976716 /nfs/dbraw/zinc/97/67/16/640976716.db2.gz MOYXJOQEWDYTKH-OAHLLOKOSA-N 1 0 283.799 3.076 20 10 CGCDRO CN(C)c1ccc(CN(C)c2cc3[nH]ccc3c[nH+]2)cc1 ZINC001156924290 805752892 /nfs/dbraw/zinc/75/28/92/805752892.db2.gz WAVYTARSBDKUEC-UHFFFAOYSA-N 1 0 280.375 3.265 20 10 CGCDRO O=C(c1ccccc1)c1ccccc1NC1=CC[NH2+]CC1 ZINC001159476988 806110277 /nfs/dbraw/zinc/11/02/77/806110277.db2.gz CDJPMRVDACSVKL-UHFFFAOYSA-N 1 0 278.355 3.207 20 10 CGCDRO Nc1ccc(Nc2ccc(COC3CC[NH2+]CC3)cc2)cc1 ZINC001159486060 806112596 /nfs/dbraw/zinc/11/25/96/806112596.db2.gz VCYLEGJADQZLAK-UHFFFAOYSA-N 1 0 297.402 3.281 20 10 CGCDRO Nc1ccc(Cc2ccccc2NC2=CCC[NH2+]C2)cc1 ZINC001159741626 806164908 /nfs/dbraw/zinc/16/49/08/806164908.db2.gz LRHYDIURXHVQDL-UHFFFAOYSA-N 1 0 279.387 3.149 20 10 CGCDRO CNc1ccc(Nc2cccc3c2CC[NH2+]C3)cc1 ZINC001159829039 806181719 /nfs/dbraw/zinc/18/17/19/806181719.db2.gz ONIZCDYZJREQFX-UHFFFAOYSA-N 1 0 253.349 3.118 20 10 CGCDRO Cc1cccc(CNc2cc(N3CCCC3)nc(C)[nH+]2)c1O ZINC001160764857 806300420 /nfs/dbraw/zinc/30/04/20/806300420.db2.gz PTHGNHXGPONQSX-UHFFFAOYSA-N 1 0 298.390 3.011 20 10 CGCDRO Fc1cccc(F)c1CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000077329593 798927604 /nfs/dbraw/zinc/92/76/04/798927604.db2.gz WNKYLYBMPIQFJO-UHFFFAOYSA-N 1 0 289.325 3.232 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](CC)CC(C)(C)O)cc1 ZINC000093437175 798963891 /nfs/dbraw/zinc/96/38/91/798963891.db2.gz PQYFSSBPVWTZCB-UHFFFAOYSA-N 1 0 278.440 3.126 20 10 CGCDRO C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cc(Br)ccc1O ZINC000380726797 799365959 /nfs/dbraw/zinc/36/59/59/799365959.db2.gz FWIKOHVJPIUNHQ-VHSXEESVSA-N 1 0 284.197 3.385 20 10 CGCDRO CC[C@H](C)[C@H](C[NH2+][C@H](C)c1ccc(C)cc1O)OC ZINC000381320684 799377635 /nfs/dbraw/zinc/37/76/35/799377635.db2.gz WFJGSGPUBQDEBB-ZENOOKHLSA-N 1 0 265.397 3.412 20 10 CGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCSC2)cc1C ZINC000384125502 799411795 /nfs/dbraw/zinc/41/17/95/799411795.db2.gz KAKCSQYTUOFWOT-AWEZNQCLSA-N 1 0 265.422 3.236 20 10 CGCDRO CC[C@H]1C[N@H+](Cc2cc(Cl)ccc2O)CCCO1 ZINC000384714111 799419108 /nfs/dbraw/zinc/41/91/08/799419108.db2.gz GVENVYNEEICWCH-ZDUSSCGKSA-N 1 0 269.772 3.047 20 10 CGCDRO Cc1ccc(C[C@@H](C)[NH2+]Cc2ccccc2O)cc1 ZINC001255771857 806743763 /nfs/dbraw/zinc/74/37/63/806743763.db2.gz DMEMFWAVBRZMGC-CQSZACIVSA-N 1 0 255.361 3.421 20 10 CGCDRO Cc1ccc(C[C@@H](C)[NH2+]Cc2cccc(O)c2O)cc1 ZINC001255780945 806748068 /nfs/dbraw/zinc/74/80/68/806748068.db2.gz SGDNPFMFLBZRJI-CYBMUJFWSA-N 1 0 271.360 3.127 20 10 CGCDRO CO[C@@](C)(C[NH2+][C@H](C)c1cc(C)ccc1O)C1CC1 ZINC000388897202 799457790 /nfs/dbraw/zinc/45/77/90/799457790.db2.gz UFLDANJEUXYEOP-WBMJQRKESA-N 1 0 263.381 3.166 20 10 CGCDRO CCC1([NH2+]Cc2ccc(OC)c(C)c2)CCOCC1 ZINC000389595953 799463818 /nfs/dbraw/zinc/46/38/18/799463818.db2.gz JLTQCHPQHVCCHF-UHFFFAOYSA-N 1 0 263.381 3.052 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCc2nccs2)c1 ZINC000391199410 799477656 /nfs/dbraw/zinc/47/76/56/799477656.db2.gz PKZXMQRTSSNKAM-NSHDSACASA-N 1 0 292.404 3.141 20 10 CGCDRO CCc1nc(C[NH2+][C@H]2CCc3cccc(O)c32)cs1 ZINC000393229786 799485139 /nfs/dbraw/zinc/48/51/39/799485139.db2.gz GIIDESNUSDWJTF-LBPRGKRZSA-N 1 0 274.389 3.188 20 10 CGCDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1c(O)cccc1Cl ZINC000394367668 799495964 /nfs/dbraw/zinc/49/59/64/799495964.db2.gz SWBHERHVMIJOBB-OLZOCXBDSA-N 1 0 294.826 3.104 20 10 CGCDRO Cc1cc(C)c(C[NH2+]Cc2c(O)cccc2Cl)cn1 ZINC000397492939 799516453 /nfs/dbraw/zinc/51/64/53/799516453.db2.gz NFCOEINXCIBQTP-UHFFFAOYSA-N 1 0 276.767 3.347 20 10 CGCDRO COc1cccc(C[NH2+]Cc2csc(C)c2C)c1O ZINC000399787605 799542060 /nfs/dbraw/zinc/54/20/60/799542060.db2.gz YAENJVOMFODNNU-UHFFFAOYSA-N 1 0 277.389 3.369 20 10 CGCDRO Cc1ccc(O)c(C[N@H+]2CCC[C@@H](OC(C)C)C2)c1 ZINC000404540514 799577997 /nfs/dbraw/zinc/57/79/97/799577997.db2.gz FEWCVKGHHKYUTR-OAHLLOKOSA-N 1 0 263.381 3.090 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2C[C@@H](C)O[C@H]2C)c1 ZINC000686509272 799735079 /nfs/dbraw/zinc/73/50/79/799735079.db2.gz QJVALYFUHJNVKD-RFGFWPKPSA-N 1 0 263.381 3.165 20 10 CGCDRO CO[C@@H]1CC[C@H](C)[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000687212155 799737422 /nfs/dbraw/zinc/73/74/22/799737422.db2.gz HLLSNRHARVFIOD-GXFFZTMASA-N 1 0 269.772 3.045 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2COC3(CCC3)C2)c1 ZINC000688283049 799745846 /nfs/dbraw/zinc/74/58/46/799745846.db2.gz NDEASNFEHJRDKS-CHWSQXEVSA-N 1 0 261.365 3.063 20 10 CGCDRO CCc1cccc(C[NH2+]CC2(OC)CCCC2)c1O ZINC000691435943 799783466 /nfs/dbraw/zinc/78/34/66/799783466.db2.gz QEJMWZJKBAIDTI-UHFFFAOYSA-N 1 0 263.381 3.003 20 10 CGCDRO CC(C)(C)C[NH2+]Cc1ccc(Br)cc1O ZINC000691397138 799783534 /nfs/dbraw/zinc/78/35/34/799783534.db2.gz WVEPGPNERKJAOE-UHFFFAOYSA-N 1 0 272.186 3.290 20 10 CGCDRO CO[C@@H](C[NH2+][C@@H](C)c1cc(F)ccc1O)C1CCCC1 ZINC000692983260 799806191 /nfs/dbraw/zinc/80/61/91/799806191.db2.gz QPNZJCWXCSFKFM-ZBEGNZNMSA-N 1 0 281.371 3.387 20 10 CGCDRO C[C@@H](Cc1ccccn1)[NH2+]Cc1c(O)cccc1Cl ZINC000694063783 799820662 /nfs/dbraw/zinc/82/06/62/799820662.db2.gz JHAKGOXUUWUKGR-NSHDSACASA-N 1 0 276.767 3.161 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000694324214 799821475 /nfs/dbraw/zinc/82/14/75/799821475.db2.gz RRYALWMYMWOXJH-IDTSFGKNSA-N 1 0 261.365 3.240 20 10 CGCDRO CO[C@H](C[NH2+]Cc1cc(F)ccc1O)C1CCCCC1 ZINC000695113874 799825500 /nfs/dbraw/zinc/82/55/00/799825500.db2.gz QSKLVYZECOSSLD-MRXNPFEDSA-N 1 0 281.371 3.216 20 10 CGCDRO C[C@@H]([NH2+]CCCOC(C)(C)C)c1ccccc1O ZINC000695281681 799828075 /nfs/dbraw/zinc/82/80/75/799828075.db2.gz GIRVZDFIIKATHW-GFCCVEGCSA-N 1 0 251.370 3.248 20 10 CGCDRO CC(C)(C)OCCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000695262427 799828498 /nfs/dbraw/zinc/82/84/98/799828498.db2.gz JCQMKUXTPJGELW-ZDUSSCGKSA-N 1 0 263.381 3.174 20 10 CGCDRO Nc1ccc(CC[NH2+][C@H]2CCCC[C@H]2C2CC2)cc1 ZINC000695959859 799835670 /nfs/dbraw/zinc/83/56/70/799835670.db2.gz VVYYZUXNQNHYGQ-IRXDYDNUSA-N 1 0 258.409 3.370 20 10 CGCDRO CCOc1cccc(C[NH2+]CC[C@@H](C)CC)c1O ZINC000696179485 799838813 /nfs/dbraw/zinc/83/88/13/799838813.db2.gz DEDHTYIHSSIABI-LBPRGKRZSA-N 1 0 251.370 3.317 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CCc2cccc(O)c21)c1cscn1 ZINC000697819217 799849988 /nfs/dbraw/zinc/84/99/88/799849988.db2.gz JWJCAADJHZWCDQ-KOLCDFICSA-N 1 0 260.362 3.187 20 10 CGCDRO [NH3+]Cc1ccc2c(c1)CCCN2CC[C@H]1CC1(Cl)Cl ZINC000700815059 799880655 /nfs/dbraw/zinc/88/06/55/799880655.db2.gz XFYWWNFZNDHWTG-ZDUSSCGKSA-N 1 0 299.245 3.482 20 10 CGCDRO CC1(C)CC[C@H]1[NH2+]Cc1ccc(Br)cc1O ZINC000701044200 799882952 /nfs/dbraw/zinc/88/29/52/799882952.db2.gz OXGDZOHIUOTNPH-GFCCVEGCSA-N 1 0 284.197 3.433 20 10 CGCDRO C[C@H]([NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C)c1ccc(N(C)C)cc1 ZINC000701021629 799883394 /nfs/dbraw/zinc/88/33/94/799883394.db2.gz SYKZHLISZDQSKT-LHLGERLTSA-N 1 0 276.424 3.215 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC[C@H]2CC2(F)F)c1 ZINC000701949399 799899174 /nfs/dbraw/zinc/89/91/74/799899174.db2.gz CRBGMZOKMDWLEE-UWVGGRQHSA-N 1 0 271.307 3.097 20 10 CGCDRO C[C@H]([NH2+]CC[C@@H]1CC1(F)F)c1cc(F)ccc1O ZINC000701935021 799899742 /nfs/dbraw/zinc/89/97/42/799899742.db2.gz LTGRFZTWEKYOKX-DTWKUNHWSA-N 1 0 259.271 3.227 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]CC[C@@H]1CC1(F)F)CC2 ZINC000701946644 799900221 /nfs/dbraw/zinc/90/02/21/799900221.db2.gz VTAXVERPDNOJOM-MNOVXSKESA-N 1 0 253.292 3.014 20 10 CGCDRO C1=C(C[NH2+]Cc2ccc(N3CCCC3)cc2)CCC1 ZINC000702418233 799910029 /nfs/dbraw/zinc/91/00/29/799910029.db2.gz WPBHSZLMLSGKOJ-UHFFFAOYSA-N 1 0 256.393 3.487 20 10 CGCDRO COc1ccc(O)c(C[NH2+]CCc2cccc(Cl)c2)c1 ZINC000702883925 799915002 /nfs/dbraw/zinc/91/50/02/799915002.db2.gz RKFOLWLJQMCHQC-UHFFFAOYSA-N 1 0 291.778 3.387 20 10 CGCDRO CC[C@@H]([NH2+]CC1SCCS1)c1ccccc1O ZINC000703061720 799919151 /nfs/dbraw/zinc/91/91/51/799919151.db2.gz ZSMLQSWCCRFMEI-LLVKDONJSA-N 1 0 269.435 3.239 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C2CCC(OC)CC2)c1 ZINC000703788393 799930270 /nfs/dbraw/zinc/93/02/70/799930270.db2.gz WAZOBFXXBJLRDN-HIFPTAJRSA-N 1 0 279.380 3.009 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC[C@@H]2CCSC2)c1 ZINC000704814633 799942592 /nfs/dbraw/zinc/94/25/92/799942592.db2.gz WRYNCUOFCYZHSJ-NWDGAFQWSA-N 1 0 281.421 3.195 20 10 CGCDRO COc1cccc(C[NH2+]C[C@H]2CCCC23CC3)c1O ZINC000706218634 799959133 /nfs/dbraw/zinc/95/91/33/799959133.db2.gz VHOQCPZPFVAMIB-CYBMUJFWSA-N 1 0 261.365 3.071 20 10 CGCDRO CC(F)(F)CC[NH2+]Cc1c(O)cccc1Br ZINC000706821742 799967310 /nfs/dbraw/zinc/96/73/10/799967310.db2.gz OFQQWFRMXJHMBZ-UHFFFAOYSA-N 1 0 294.139 3.290 20 10 CGCDRO COc1ccc(C[NH+]2C3CCCC2CCC3)c(O)c1 ZINC000707154935 799973235 /nfs/dbraw/zinc/97/32/35/799973235.db2.gz INAKMYQCIPPMJN-UHFFFAOYSA-N 1 0 261.365 3.308 20 10 CGCDRO Oc1cccc(Br)c1C[NH+]1C2CCC1CC2 ZINC000707142267 799973643 /nfs/dbraw/zinc/97/36/43/799973643.db2.gz IHKJNEALNDHJQI-UHFFFAOYSA-N 1 0 282.181 3.282 20 10 CGCDRO C[C@H]1C[C@H]([NH2+]Cc2cccc(O)c2O)CC(C)(C)C1 ZINC000708342807 799987146 /nfs/dbraw/zinc/98/71/46/799987146.db2.gz ZDQAHVGKGDBEKU-AAEUAGOBSA-N 1 0 263.381 3.402 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H](C)CCSC)c1O ZINC000709424512 800008439 /nfs/dbraw/zinc/00/84/39/800008439.db2.gz SBQAOKXFUNNLBX-NSHDSACASA-N 1 0 253.411 3.186 20 10 CGCDRO C[C@H](C[NH2+]Cc1ccc(N(C)C)cc1)c1ccccn1 ZINC000709601025 800010774 /nfs/dbraw/zinc/01/07/74/800010774.db2.gz MHQLSBAXYSMHHK-CQSZACIVSA-N 1 0 269.392 3.041 20 10 CGCDRO COc1ccc(C[NH2+]C[C@@H]2CCC3(CCC3)O2)cc1C ZINC000711456385 800059639 /nfs/dbraw/zinc/05/96/39/800059639.db2.gz NXOFPIHBIQWFCK-HNNXBMFYSA-N 1 0 275.392 3.195 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCC[C@H](CF)C2)c1O ZINC000711500594 800064510 /nfs/dbraw/zinc/06/45/10/800064510.db2.gz WYGAVSHZQHLBNR-GFCCVEGCSA-N 1 0 251.345 3.136 20 10 CGCDRO CC1(C)CO[C@@H](CC[NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000717260371 800199673 /nfs/dbraw/zinc/19/96/73/800199673.db2.gz FDOJEDVSWWGTNY-KBPBESRZSA-N 1 0 275.392 3.174 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CC1(CO)CCC1 ZINC000717632006 800204955 /nfs/dbraw/zinc/20/49/55/800204955.db2.gz IOMIFEYLIIMZJQ-CHWSQXEVSA-N 1 0 275.392 3.001 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1CC[C@@H](C(F)(F)F)O1)c1ccccc1O ZINC000722394465 800321690 /nfs/dbraw/zinc/32/16/90/800321690.db2.gz GUTHFGUCVSOHFX-CWSCBRNRSA-N 1 0 289.297 3.153 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1CC[C@@H](C(F)(F)F)O1)c1ccccc1O ZINC000722394467 800322581 /nfs/dbraw/zinc/32/25/81/800322581.db2.gz GUTHFGUCVSOHFX-KWBADKCTSA-N 1 0 289.297 3.153 20 10 CGCDRO C[C@@H]([NH2+]CC[C@H]1CCOC1)c1cc(Cl)ccc1O ZINC000757658644 800380738 /nfs/dbraw/zinc/38/07/38/800380738.db2.gz SLJSMBLFMDQATG-MNOVXSKESA-N 1 0 269.772 3.123 20 10 CGCDRO CC[C@H](C[C@@](C)(O)CC)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000924573243 800626112 /nfs/dbraw/zinc/62/61/12/800626112.db2.gz GQWQJNNFZFXOSQ-WBVHZDCISA-N 1 0 278.440 3.172 20 10 CGCDRO CC(C)N(CCC[NH3+])c1cc(F)c(OC(F)F)c(F)c1 ZINC001164126771 806898302 /nfs/dbraw/zinc/89/83/02/806898302.db2.gz JHAJMHBPDWGHOV-UHFFFAOYSA-N 1 0 294.292 3.130 20 10 CGCDRO c1c[nH]c([C@@H]2CCCN2Cc2ccc(N3CCCC3)cc2)n1 ZINC001116706941 802399076 /nfs/dbraw/zinc/39/90/76/802399076.db2.gz PIEDCGSJXWDPRQ-KRWDZBQOSA-N 1 0 296.418 3.347 20 10 CGCDRO COCC(C)(C)[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001117722771 802481820 /nfs/dbraw/zinc/48/18/20/802481820.db2.gz IAOTXVGEPQUWEP-UHFFFAOYSA-N 1 0 276.424 3.144 20 10 CGCDRO CS[C@@H]1CC[C@H]([N@H+](C)Cc2ccc(C)cc2O)C1 ZINC001119237387 802636831 /nfs/dbraw/zinc/63/68/31/802636831.db2.gz UVTRQKRBCDGHSI-UONOGXRCSA-N 1 0 265.422 3.417 20 10 CGCDRO CCC1(C[NH2+]Cc2ccc(OC)c(OC)c2O)CCC1 ZINC001120030624 802727375 /nfs/dbraw/zinc/72/73/75/802727375.db2.gz FOMPNIGVSHKWHW-UHFFFAOYSA-N 1 0 279.380 3.079 20 10 CGCDRO Cc1cnc(C2CC[NH+](Cc3ccc(N)cc3)CC2)s1 ZINC001120268192 802737611 /nfs/dbraw/zinc/73/76/11/802737611.db2.gz BPZQJWXIBSWNOQ-UHFFFAOYSA-N 1 0 287.432 3.413 20 10 CGCDRO CC(C)c1cc([C@H]2CCC[N@H+](Cc3ccc(N)cc3)C2)[nH]n1 ZINC001120371606 802742381 /nfs/dbraw/zinc/74/23/81/802742381.db2.gz KTQMPJCKFDUMTA-HNNXBMFYSA-N 1 0 298.434 3.495 20 10 CGCDRO CN(c1ccccc1)C1CC[NH+](Cc2ccc(N)cc2)CC1 ZINC001120370612 802742834 /nfs/dbraw/zinc/74/28/34/802742834.db2.gz CEDLOYOXWGYELL-UHFFFAOYSA-N 1 0 295.430 3.370 20 10 CGCDRO CO[C@H]1CC=C(c2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC001243817297 803029254 /nfs/dbraw/zinc/02/92/54/803029254.db2.gz WPXTYHDEKYRJDX-SFHVURJKSA-N 1 0 286.419 3.021 20 10 CGCDRO CC[N@H+](Cc1[nH]nc2ccccc21)Cc1ccccc1O ZINC001137351248 803721744 /nfs/dbraw/zinc/72/17/44/803721744.db2.gz VJRHEHJEZXRLMS-UHFFFAOYSA-N 1 0 281.359 3.291 20 10 CGCDRO Cc1cc(C[N@@H+]2CCC[C@H](O)C2)c(C)n1-c1ccccc1 ZINC001137854105 803784660 /nfs/dbraw/zinc/78/46/60/803784660.db2.gz INORWZNPAINJOV-SFHVURJKSA-N 1 0 284.403 3.051 20 10 CGCDRO Cc1c(C[N@H+](C)C2CCN(C)CC2)c2ccccc2n1C ZINC001138252418 803880180 /nfs/dbraw/zinc/88/01/80/803880180.db2.gz GPNLPIMFICFLIO-UHFFFAOYSA-N 1 0 285.435 3.013 20 10 CGCDRO Cc1c(C[N@@H+]2CCCC[C@@](C)(O)C2)c2ccccc2n1C ZINC001138252701 803881984 /nfs/dbraw/zinc/88/19/84/803881984.db2.gz QYKDIEOIZGKXSP-GOSISDBHSA-N 1 0 286.419 3.224 20 10 CGCDRO Cc1c(CN2CCC[C@@H]([NH+](C)C)C2)c2ccccc2n1C ZINC001138256732 803882706 /nfs/dbraw/zinc/88/27/06/803882706.db2.gz IRMINLZJYHMMII-OAHLLOKOSA-N 1 0 285.435 3.013 20 10 CGCDRO Cc1c(C[N@@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)c2ccccc2n1C ZINC001138253708 803882983 /nfs/dbraw/zinc/88/29/83/803882983.db2.gz DFULKMPVRYBICJ-DUVNUKRYSA-N 1 0 272.367 3.277 20 10 CGCDRO CC[N@H+](Cc1nc2ccccc2n1C)Cc1ccccc1O ZINC001138380422 803910901 /nfs/dbraw/zinc/91/09/01/803910901.db2.gz DJIBNMFTAXWTBX-UHFFFAOYSA-N 1 0 295.386 3.301 20 10 CGCDRO CC[N@H+](Cc1c(C)ccc(C)c1O)C1CCOCC1 ZINC001140179863 804395729 /nfs/dbraw/zinc/39/57/29/804395729.db2.gz QJUXFRKVQKZAON-UHFFFAOYSA-N 1 0 263.381 3.010 20 10 CGCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@]3(CC3(F)F)C2)c1O ZINC001140181494 804395822 /nfs/dbraw/zinc/39/58/22/804395822.db2.gz CFIPBYAYJRJASU-AWEZNQCLSA-N 1 0 267.319 3.240 20 10 CGCDRO COCC[C@@H]1CCCC[N@@H+]1Cc1c(C)ccc(C)c1O ZINC001140180472 804396157 /nfs/dbraw/zinc/39/61/57/804396157.db2.gz XIXOVIVEBMMNLC-HNNXBMFYSA-N 1 0 277.408 3.400 20 10 CGCDRO Oc1cccc(Cl)c1C[N@@H+]1CCCC[C@@H](F)C1 ZINC001140338073 804417540 /nfs/dbraw/zinc/41/75/40/804417540.db2.gz UBZPJWVIPGXEPT-SNVBAGLBSA-N 1 0 257.736 3.370 20 10 CGCDRO Oc1cccc(Cl)c1C[NH+]1CCC2(C[C@@H](F)CO2)CC1 ZINC001140341757 804419514 /nfs/dbraw/zinc/41/95/14/804419514.db2.gz GNWOIICKMKHMBY-LLVKDONJSA-N 1 0 299.773 3.139 20 10 CGCDRO Cc1ncccc1C[N@@H+](C)Cc1ccc(Cl)cc1O ZINC001140464374 804441449 /nfs/dbraw/zinc/44/14/49/804441449.db2.gz MXSUCLSTZKVCTK-UHFFFAOYSA-N 1 0 276.767 3.381 20 10 CGCDRO CO[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2O)CC1 ZINC001140466067 804443919 /nfs/dbraw/zinc/44/39/19/804443919.db2.gz VYEAOLBMCLXSHV-ZDUSSCGKSA-N 1 0 269.772 3.047 20 10 CGCDRO CCO[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140467579 804444021 /nfs/dbraw/zinc/44/40/21/804444021.db2.gz YIAHGQSVGBCAJC-CYBMUJFWSA-N 1 0 269.772 3.047 20 10 CGCDRO Cc1ccnn1C1CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC001140623975 804478274 /nfs/dbraw/zinc/47/82/74/804478274.db2.gz ZTRIJVWIHSSKLC-UHFFFAOYSA-N 1 0 285.391 3.043 20 10 CGCDRO CCN(CC)c1ccc(C[NH+]2CCC(C)CC2)c(O)c1 ZINC001140851871 804533969 /nfs/dbraw/zinc/53/39/69/804533969.db2.gz SEDPIAPDRPQNGZ-UHFFFAOYSA-N 1 0 276.424 3.470 20 10 CGCDRO C[C@@H]1CN(Cc2ccc(N(C)C)cc2Cl)CCCC1=O ZINC001140921555 804549521 /nfs/dbraw/zinc/54/95/21/804549521.db2.gz HWWDRMHFKJJNJQ-GFCCVEGCSA-N 1 0 294.826 3.207 20 10 CGCDRO CCO[C@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2Cl)C1 ZINC001140923430 804551117 /nfs/dbraw/zinc/55/11/17/804551117.db2.gz AFMXNQRTZZPQLI-HNNXBMFYSA-N 1 0 296.842 3.407 20 10 CGCDRO COCC[C@@H]1CCCC[N@@H+]1Cc1ccc(C)cc1O ZINC001140949838 804556897 /nfs/dbraw/zinc/55/68/97/804556897.db2.gz MYVYKXRTPWBTOI-HNNXBMFYSA-N 1 0 263.381 3.092 20 10 CGCDRO COC(=O)c1cccc2c1CN(Cc1ccc(C)cc1O)C2 ZINC001140950885 804559018 /nfs/dbraw/zinc/55/90/18/804559018.db2.gz NFELJSABIJONKM-UHFFFAOYSA-N 1 0 297.354 3.003 20 10 CGCDRO CN1CCOc2cc(C[N@@H+]3CCC[C@H]4CCC[C@H]43)ccc21 ZINC001141143525 804596540 /nfs/dbraw/zinc/59/65/40/804596540.db2.gz CHSKSPFUKXVADO-HZPDHXFCSA-N 1 0 286.419 3.280 20 10 CGCDRO Oc1ccc(O)c(C[N@@H+]2CCCc3ccccc3C2)c1 ZINC001141159246 804599667 /nfs/dbraw/zinc/59/96/67/804599667.db2.gz DOSOTBIXOZUPGJ-UHFFFAOYSA-N 1 0 269.344 3.046 20 10 CGCDRO Oc1cccc(C2CC[NH+](Cc3cc(O)ccc3O)CC2)c1 ZINC001141161312 804601383 /nfs/dbraw/zinc/60/13/83/804601383.db2.gz DJQKYIUQOOQWBW-UHFFFAOYSA-N 1 0 299.370 3.183 20 10 CGCDRO C[N@H+](CCc1cccc(F)c1)Cc1cc(F)c(F)cc1[O-] ZINC001142530819 804733117 /nfs/dbraw/zinc/73/31/17/804733117.db2.gz MEWINRVXVQSJSR-UHFFFAOYSA-N 1 0 295.304 3.484 20 10 CGCDRO CC(C)(C)c1cccc(C[N@@H+]2CCC[C@@H](CCO)C2)c1O ZINC001143110533 804802999 /nfs/dbraw/zinc/80/29/99/804802999.db2.gz IKMICKWDEYNUGA-AWEZNQCLSA-N 1 0 291.435 3.284 20 10 CGCDRO CC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001143116781 804805618 /nfs/dbraw/zinc/80/56/18/804805618.db2.gz KTHOIGIVHNZZRO-HNNXBMFYSA-N 1 0 275.392 3.243 20 10 CGCDRO C[N@H+](Cc1ccno1)Cc1cccc(C(C)(C)C)c1O ZINC001143116652 804806168 /nfs/dbraw/zinc/80/61/68/804806168.db2.gz HPMHONSNFHIPDN-UHFFFAOYSA-N 1 0 274.364 3.310 20 10 CGCDRO CCN(Cc1ccccc1O)c1[nH+]ccc2[nH]ccc21 ZINC001154890334 805506257 /nfs/dbraw/zinc/50/62/57/805506257.db2.gz VQXWVGGWBKTRPN-UHFFFAOYSA-N 1 0 267.332 3.295 20 10 CGCDRO CCC[C@@H](C)[NH+]1CCN(c2ccc(OCC)cc2)CC1 ZINC001257329478 807110635 /nfs/dbraw/zinc/11/06/35/807110635.db2.gz YTMTUYAYPBRVNW-OAHLLOKOSA-N 1 0 276.424 3.396 20 10 CGCDRO CSC(C)(C)C[C@H](C)[NH2+]Cc1ccccc1O ZINC001258317497 807407024 /nfs/dbraw/zinc/40/70/24/807407024.db2.gz ZLPHBGLQOYUHMV-NSHDSACASA-N 1 0 253.411 3.402 20 10 CGCDRO C[C@H](Cc1cccc(F)c1)[NH2+]CCc1ccc(O)c(O)c1 ZINC001168460970 807423690 /nfs/dbraw/zinc/42/36/90/807423690.db2.gz XPLDYVSWHNQHLR-GFCCVEGCSA-N 1 0 289.350 3.000 20 10 CGCDRO CCN(C)c1ccc(CN2C[C@H](C)[N@H+](CC)C[C@H]2C)cc1 ZINC001168839531 807524566 /nfs/dbraw/zinc/52/45/66/807524566.db2.gz VDNBTPCYVSAKHI-JKSUJKDBSA-N 1 0 289.467 3.057 20 10 CGCDRO CC(C)(C)Oc1cc[nH+]c(NCc2ccc(O)c(O)c2)c1 ZINC001169997385 807736558 /nfs/dbraw/zinc/73/65/58/807736558.db2.gz UYHDWRYOUUQLPS-UHFFFAOYSA-N 1 0 288.347 3.282 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCC[C@H](F)C2)c1 ZINC001261481930 807748493 /nfs/dbraw/zinc/74/84/93/807748493.db2.gz VFYSQUQZLDABCP-SRVKXCTJSA-N 1 0 267.344 3.332 20 10 CGCDRO CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+]Cc1ccccc1O ZINC001170410766 807836992 /nfs/dbraw/zinc/83/69/92/807836992.db2.gz HDQGJRJMJKTWJT-OAHLLOKOSA-N 1 0 299.370 3.232 20 10 CGCDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(N)cc2)cc1C ZINC001262488017 807868061 /nfs/dbraw/zinc/86/80/61/807868061.db2.gz NEECNEMHJMAMAS-CYBMUJFWSA-N 1 0 270.376 3.437 20 10 CGCDRO Fc1cccc2c1CC[C@@H]([NH2+]Cc1ccc3c(c1)CCO3)C2 ZINC001171401075 808046858 /nfs/dbraw/zinc/04/68/58/808046858.db2.gz JERJFHHCECNTMA-MRXNPFEDSA-N 1 0 297.373 3.408 20 10 CGCDRO Nc1cc(NCc2cc3ccccc3cc2O)[nH+]cc1F ZINC001171401947 808046986 /nfs/dbraw/zinc/04/69/86/808046986.db2.gz CTUZOOCDCWWHEN-UHFFFAOYSA-N 1 0 283.306 3.274 20 10 CGCDRO Cc1cc(C)c(C[NH2+][C@@H](C)CCOC(C)C)c(O)c1 ZINC001172440761 808314813 /nfs/dbraw/zinc/31/48/13/808314813.db2.gz JSRSIIKQMDXKLU-AWEZNQCLSA-N 1 0 265.397 3.302 20 10 CGCDRO CC(C)OCC[C@@H](C)[NH2+][C@H](C)c1ccccc1O ZINC001172444226 808317739 /nfs/dbraw/zinc/31/77/39/808317739.db2.gz UYIXTKUNTOKRCV-CHWSQXEVSA-N 1 0 251.370 3.246 20 10 CGCDRO CC(C)OC(=O)CC[C@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC001172744089 808427180 /nfs/dbraw/zinc/42/71/80/808427180.db2.gz OGICJGJGUUSLJL-STQMWFEESA-N 1 0 279.380 3.163 20 10 CGCDRO CCc1ccc(C[C@@H](C)[NH2+]Cc2ccc(O)cc2O)cc1 ZINC001173245150 808553318 /nfs/dbraw/zinc/55/33/18/808553318.db2.gz RJUPNJGWVMQAND-CYBMUJFWSA-N 1 0 285.387 3.381 20 10 CGCDRO CCOc1ccc(N2CCC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC001276925985 809045099 /nfs/dbraw/zinc/04/50/99/809045099.db2.gz KYQGLTQBEHVKDJ-QGZVFWFLSA-N 1 0 274.408 3.007 20 10 CGCDRO COc1ccc(N2CC3(C2)CC[N@@H+](C2CCCC2)C3)cc1 ZINC001276926990 809045133 /nfs/dbraw/zinc/04/51/33/809045133.db2.gz KLQHQQKFNQXBDK-UHFFFAOYSA-N 1 0 286.419 3.150 20 10 CGCDRO Cc1cc(Nc2ccc(Br)cc2O)cc(C)[nH+]1 ZINC001176052943 809608906 /nfs/dbraw/zinc/60/89/06/809608906.db2.gz XJGFUKFOLQEVDL-UHFFFAOYSA-N 1 0 293.164 3.332 20 10 CGCDRO CO[C@@H]1[C@H](C)[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1(C)C ZINC001178304510 809859470 /nfs/dbraw/zinc/85/94/70/809859470.db2.gz KCCMNYHBYOHSHW-OAUYIBNBSA-N 1 0 289.419 3.161 20 10 CGCDRO CC[NH+](CC)C[C@H]1CCN(Cc2ccc(Cl)cc2O)C1 ZINC001180057806 809970154 /nfs/dbraw/zinc/97/01/54/809970154.db2.gz IWOXMFKBPCGSIU-CYBMUJFWSA-N 1 0 296.842 3.209 20 10 CGCDRO OC[C@H](C[NH2+]Cc1ccc(Cl)cc1O)C1CCCCC1 ZINC001182073095 810092955 /nfs/dbraw/zinc/09/29/55/810092955.db2.gz XCBJLRSTGBUREG-AWEZNQCLSA-N 1 0 297.826 3.324 20 10 CGCDRO C[C@@H](C[NH2+]Cc1ccc(Cl)cc1O)c1ccccn1 ZINC001182845427 810127648 /nfs/dbraw/zinc/12/76/48/810127648.db2.gz SKPBXBYEXJIYJO-NSHDSACASA-N 1 0 276.767 3.334 20 10 CGCDRO C[C@H]([NH2+]CC1CCCC1)c1ccc(N2CCOCC2)cc1 ZINC001192890939 810826526 /nfs/dbraw/zinc/82/65/26/810826526.db2.gz RMORJIYSQXSLKQ-HNNXBMFYSA-N 1 0 288.435 3.364 20 10 CGCDRO COc1cccc(C[N@@H+]2CC[C@@H]3CCC[C@H]3C2)c1O ZINC001203589086 812401829 /nfs/dbraw/zinc/40/18/29/812401829.db2.gz DDKBHKMLNMISNN-STQMWFEESA-N 1 0 261.365 3.023 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](c3ccncc3)C2)c1O ZINC001203609394 812405607 /nfs/dbraw/zinc/40/56/07/812405607.db2.gz QQJJSOQNUWKKEF-OAHLLOKOSA-N 1 0 298.386 3.175 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)CCC[C@]1(C)O ZINC001203650839 812415679 /nfs/dbraw/zinc/41/56/79/812415679.db2.gz FIHJXGXSJFROIO-ABAIWWIYSA-N 1 0 283.799 3.029 20 10 CGCDRO Oc1ccc(C[N@@H+]2CCC[C@H](Oc3ccccc3)C2)cc1O ZINC001203879522 812477731 /nfs/dbraw/zinc/47/77/31/812477731.db2.gz SQIDKBCETYKQIC-INIZCTEOSA-N 1 0 299.370 3.141 20 10 CGCDRO COc1ccc([C@@H](C)[N@H+](C)Cc2ccc(O)c(O)c2)cc1 ZINC001203879207 812478098 /nfs/dbraw/zinc/47/80/98/812478098.db2.gz GYNNDIZQXHPZTE-GFCCVEGCSA-N 1 0 287.359 3.299 20 10 CGCDRO C[N@H+](CCCc1ccccc1)Cc1ccc(O)c(O)c1 ZINC001203878085 812478140 /nfs/dbraw/zinc/47/81/40/812478140.db2.gz AYEUIHUDDBLWMG-UHFFFAOYSA-N 1 0 271.360 3.162 20 10 CGCDRO CC[N@H+](Cc1cccc(F)c1)Cc1ccc(O)c(O)c1 ZINC001203879223 812478857 /nfs/dbraw/zinc/47/88/57/812478857.db2.gz HAOWOOUKUWVQJQ-UHFFFAOYSA-N 1 0 275.323 3.259 20 10 CGCDRO CC[N@H+](Cc1ccc(NC(C)=O)cc1)Cc1ccccc1O ZINC001203930259 812495159 /nfs/dbraw/zinc/49/51/59/812495159.db2.gz WEUZHUQJWQHMFE-UHFFFAOYSA-N 1 0 298.386 3.373 20 10 CGCDRO CCC[N@H+](CCOC)Cc1ccc(N(CC)CC)cc1 ZINC001203936058 812495857 /nfs/dbraw/zinc/49/58/57/812495857.db2.gz HWDUQPPNYSOLBU-UHFFFAOYSA-N 1 0 278.440 3.391 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H]3CCO[C@H]3C2)cc1 ZINC001203940578 812497782 /nfs/dbraw/zinc/49/77/82/812497782.db2.gz QLDZOTFKSYTXRD-AEFFLSMTSA-N 1 0 288.435 3.144 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCc3cccc(O)c3C2)cc1 ZINC001203937909 812498193 /nfs/dbraw/zinc/49/81/93/812498193.db2.gz YTTYFOVNMIFNJS-UHFFFAOYSA-N 1 0 282.387 3.017 20 10 CGCDRO Oc1cccc2c1C[N@H+](Cc1ccnc3ccccc13)CC2 ZINC001204090237 812546726 /nfs/dbraw/zinc/54/67/26/812546726.db2.gz BUJOJRSDBRFLLI-UHFFFAOYSA-N 1 0 290.366 3.499 20 10 CGCDRO COc1cc(C)c(C[N@H+](C)CCc2cccs2)c(O)c1 ZINC001204211421 812574608 /nfs/dbraw/zinc/57/46/08/812574608.db2.gz ASTMBNVVOWOSKJ-UHFFFAOYSA-N 1 0 291.416 3.445 20 10 CGCDRO CO[C@H]1CC[N@H+](Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001204235066 812582122 /nfs/dbraw/zinc/58/21/22/812582122.db2.gz FMPJGVLBIFTSLJ-HNNXBMFYSA-N 1 0 284.403 3.127 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)CCF)c2ccccc21 ZINC001204241019 812582852 /nfs/dbraw/zinc/58/28/52/812582852.db2.gz RLZLCHVQYRGXES-UHFFFAOYSA-N 1 0 260.356 3.307 20 10 CGCDRO C[C@@]1(O)CCC[N@H+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204323747 812612563 /nfs/dbraw/zinc/61/25/63/812612563.db2.gz IVKIMTBRQUBQFD-GOSISDBHSA-N 1 0 288.435 3.024 20 10 CGCDRO FC[C@H]1CCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204327511 812614288 /nfs/dbraw/zinc/61/42/88/812614288.db2.gz WRXMPURLTCTXHM-MRXNPFEDSA-N 1 0 276.399 3.468 20 10 CGCDRO c1cc(N2CCCC2)ccc1C[NH+]1CC2CC(C2)C1 ZINC001204329120 812614433 /nfs/dbraw/zinc/61/44/33/812614433.db2.gz XRXSUJHGGHJWAS-UHFFFAOYSA-N 1 0 256.393 3.129 20 10 CGCDRO CCO[C@H]1CCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204326341 812614979 /nfs/dbraw/zinc/61/49/79/812614979.db2.gz GBFFRCFYMBLGAY-SFHVURJKSA-N 1 0 288.435 3.288 20 10 CGCDRO C[C@H]1C[N@H+](C/C=C\c2ccc(N(C)C)cc2)C[C@H]1C ZINC001204769902 812730850 /nfs/dbraw/zinc/73/08/50/812730850.db2.gz XJNNIFHWDPQTMI-YPDHSMTDSA-N 1 0 258.409 3.354 20 10 CGCDRO C[C@H]1CC[C@@H](C[NH3+])N1Cc1c(O)ccc(Cl)c1Cl ZINC001205083010 812853658 /nfs/dbraw/zinc/85/36/58/812853658.db2.gz MLABJSMWPUIGFT-IUCAKERBSA-N 1 0 289.206 3.011 20 10 CGCDRO CC[C@@H]1CO[C@@H](C)C[N@@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC001205178582 812900969 /nfs/dbraw/zinc/90/09/69/812900969.db2.gz XCJIOPMNUNMOGU-RWGIFROESA-N 1 0 288.435 3.265 20 10 CGCDRO COc1ccc(C[NH2+]Cc2cc3c(cccc3C)[nH]2)c(O)c1 ZINC001205516963 812994194 /nfs/dbraw/zinc/99/41/94/812994194.db2.gz CJSNXBSJNSBYFH-UHFFFAOYSA-N 1 0 296.370 3.480 20 10 CGCDRO CC1=C(C)C[N@H+](Cc2cc(F)c(F)cc2[O-])CC1 ZINC001205562817 813004633 /nfs/dbraw/zinc/00/46/33/813004633.db2.gz ZPWCQBYZNWRUHO-UHFFFAOYSA-N 1 0 253.292 3.213 20 10 CGCDRO C[C@@H]1CC[C@@H](C[NH3+])N(Cc2cccc(C(C)(C)C)c2O)C1 ZINC001205831192 813101851 /nfs/dbraw/zinc/10/18/51/813101851.db2.gz WUMKLOWILQRCPT-HIFRSBDPSA-N 1 0 290.451 3.249 20 10 CGCDRO C[C@H]1CC[C@@H](CN)[N@H+](Cc2ccc(C(C)(C)C)cc2O)C1 ZINC001205841829 813103696 /nfs/dbraw/zinc/10/36/96/813103696.db2.gz LJAOBMZBDSQMAA-BBRMVZONSA-N 1 0 290.451 3.249 20 10 CGCDRO CCc1cccc(C[N@@H+]2C[C@H](C)OC3(CCCC3)C2)c1O ZINC001206544851 813347469 /nfs/dbraw/zinc/34/74/69/813347469.db2.gz OYAMISBWGROMCM-AWEZNQCLSA-N 1 0 289.419 3.488 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@H](C)c2ncccc2C)c1O ZINC001207783517 813649532 /nfs/dbraw/zinc/64/95/32/813649532.db2.gz IMYAUDJHYHNKLH-CYBMUJFWSA-N 1 0 286.375 3.263 20 10 CGCDRO CC[N@@H+](Cc1ccccc1O)C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001209399029 814014447 /nfs/dbraw/zinc/01/44/47/814014447.db2.gz RQQWDKRNRSDLDD-QDMKHBRRSA-N 1 0 277.408 3.418 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CCCC[C@H](O)C2)cc1 ZINC001209516332 814071564 /nfs/dbraw/zinc/07/15/64/814071564.db2.gz DJYSNROTJOXVTO-IBGZPJMESA-N 1 0 298.430 3.441 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(C[N@H+]2CCOC[C@@H]2C)cc1 ZINC001209518442 814072368 /nfs/dbraw/zinc/07/23/68/814072368.db2.gz LPFAYIOYTILVMN-INIZCTEOSA-N 1 0 284.403 3.315 20 10 CGCDRO CCc1ccc(CN2CCC[C@@]3(CCCC[NH2+]3)C2)c(O)c1 ZINC001222394968 816430823 /nfs/dbraw/zinc/43/08/23/816430823.db2.gz DBUHBNOIVIISLN-SFHVURJKSA-N 1 0 288.435 3.063 20 10 CGCDRO Oc1c(CN2CC[C@]3(C2)CCCC[NH2+]3)ccc2ccccc21 ZINC001222434946 816445257 /nfs/dbraw/zinc/44/52/57/816445257.db2.gz LSOQRRBFPKXVIS-IBGZPJMESA-N 1 0 296.414 3.263 20 10 CGCDRO CN(C)c1ccc(OC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC001227939066 817759491 /nfs/dbraw/zinc/75/94/91/817759491.db2.gz KHAZMYGDKSESAS-UHFFFAOYSA-N 1 0 297.402 3.195 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCCC[C@H]2CN2CCCC2)c1O ZINC001231592335 818131261 /nfs/dbraw/zinc/13/12/61/818131261.db2.gz KJPOZSZQNZFRIC-KRWDZBQOSA-N 1 0 288.435 3.151 20 10 CGCDRO CC(=O)c1ccc2c(c1)C[N@@H+](Cc1cccc(C)c1O)CC2 ZINC001231593977 818131340 /nfs/dbraw/zinc/13/13/40/818131340.db2.gz QGYNJSJNZXGJOT-UHFFFAOYSA-N 1 0 295.382 3.462 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCCC(F)(F)[C@H](F)C2)c1O ZINC001231590849 818131391 /nfs/dbraw/zinc/13/13/91/818131391.db2.gz ISHRAILOSCNYJN-GFCCVEGCSA-N 1 0 273.298 3.270 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCC[C@H](C(F)F)C2)c1O ZINC001231592331 818132028 /nfs/dbraw/zinc/13/20/28/818132028.db2.gz KHRUSXRBTNXNGY-LBPRGKRZSA-N 1 0 255.308 3.178 20 10 CGCDRO Cc1cccc(C[NH+]2CCC3(CCCOC3)CC2)c1O ZINC001231595422 818133711 /nfs/dbraw/zinc/13/37/11/818133711.db2.gz ZWESBMZNMJAHSE-UHFFFAOYSA-N 1 0 275.392 3.093 20 10 CGCDRO Cc1cc(C)c(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)c(O)c1 ZINC001231841462 818186276 /nfs/dbraw/zinc/18/62/76/818186276.db2.gz BDBPRYUFECLRQR-RHSMWYFYSA-N 1 0 275.392 3.010 20 10 CGCDRO Cc1cc(C)c(C[N@H+](C)Cc2ccc3c(c2)OCO3)c(O)c1 ZINC001231848117 818187387 /nfs/dbraw/zinc/18/73/87/818187387.db2.gz HUWVSXAHILAXHH-UHFFFAOYSA-N 1 0 299.370 3.370 20 10 CGCDRO CC[N@@H+]1CCN(Cc2cc(Cl)c(C)cc2O)C(C)(C)C1 ZINC001231870812 818194632 /nfs/dbraw/zinc/19/46/32/818194632.db2.gz AEYLCEWCWKQHEW-UHFFFAOYSA-N 1 0 296.842 3.270 20 10 CGCDRO Oc1c(C[N@@H+]2CCOCC23CCC3)ccc2ccccc21 ZINC001231881629 818199416 /nfs/dbraw/zinc/19/94/16/818199416.db2.gz ZNAFWTKGFHDSBA-UHFFFAOYSA-N 1 0 283.371 3.300 20 10 CGCDRO Cc1cc(C[N@@H+](C)Cc2ccccc2O)cc(C)n1 ZINC001232002257 818228388 /nfs/dbraw/zinc/22/83/88/818228388.db2.gz ZPFIJUKIYGBCLH-UHFFFAOYSA-N 1 0 256.349 3.036 20 10 CGCDRO CCCC[N@H+](C)Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232198054 818274939 /nfs/dbraw/zinc/27/49/39/818274939.db2.gz GIWINFBIVSTFID-UHFFFAOYSA-N 1 0 296.842 3.409 20 10 CGCDRO CC[N@H+](Cc1cccnc1)Cc1cc(Cl)c(O)cc1O ZINC001232267721 818298343 /nfs/dbraw/zinc/29/83/43/818298343.db2.gz KTUFUZSUJKOBMM-UHFFFAOYSA-N 1 0 292.766 3.168 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](OC(C)C)C2)cc1Cl ZINC001232269165 818299900 /nfs/dbraw/zinc/29/99/00/818299900.db2.gz SDDDQELACMZWEZ-GFCCVEGCSA-N 1 0 299.798 3.054 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H]3CCC[C@@H]3C2)c(O)c1 ZINC001232835663 818451621 /nfs/dbraw/zinc/45/16/21/818451621.db2.gz FJKRPUIIWHNRKI-UONOGXRCSA-N 1 0 274.408 3.080 20 10 CGCDRO C[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2O)C[C@@H]1C ZINC001232834854 818452434 /nfs/dbraw/zinc/45/24/34/818452434.db2.gz OSTUFCNUHJBBGJ-KGLIPLIRSA-N 1 0 276.424 3.326 20 10 CGCDRO CCC[N@H+](Cc1ccc(N(C)C)cc1O)[C@H](C)CC ZINC001232835088 818452498 /nfs/dbraw/zinc/45/24/98/818452498.db2.gz VLPZUKJEVOGXBA-CYBMUJFWSA-N 1 0 264.413 3.469 20 10 CGCDRO Cc1cc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)cnc1C ZINC001233163264 818531238 /nfs/dbraw/zinc/53/12/38/818531238.db2.gz VPZQYKCIRJYUCM-UHFFFAOYSA-N 1 0 283.419 3.396 20 10 CGCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CC[C@H]3OCC[C@H]32)c1 ZINC001233284223 818565674 /nfs/dbraw/zinc/56/56/74/818565674.db2.gz MNZYEERQJKCWRH-GDBMZVCRSA-N 1 0 275.392 3.053 20 10 CGCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CC[C@@]3(CCOC3)C2)c1 ZINC001233283993 818566324 /nfs/dbraw/zinc/56/63/24/818566324.db2.gz DGCSKBXAOJLGHR-GOSISDBHSA-N 1 0 289.419 3.302 20 10 CGCDRO CC[N@H+](CCC(=O)OC)Cc1cc(C(C)(C)C)ccc1O ZINC001233286802 818568636 /nfs/dbraw/zinc/56/86/36/818568636.db2.gz JGFFDUIVOHEQRD-UHFFFAOYSA-N 1 0 293.407 3.075 20 10 CGCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CCC[C@]23CCOC3)c1 ZINC001233286752 818568666 /nfs/dbraw/zinc/56/86/66/818568666.db2.gz HOJYLWIOIFDQDV-GOSISDBHSA-N 1 0 289.419 3.445 20 10 CGCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@](C)(CF)C2)c1O ZINC001233287762 818570354 /nfs/dbraw/zinc/57/03/54/818570354.db2.gz GUJBAOYQDQFBKO-CQSZACIVSA-N 1 0 287.762 3.236 20 10 CGCDRO CC1(C)C[NH+](Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233451801 818622837 /nfs/dbraw/zinc/62/28/37/818622837.db2.gz ZRCGSQDQSPHBBL-UHFFFAOYSA-N 1 0 259.271 3.253 20 10 CGCDRO C[N@@H+](Cc1ccc(C(F)(F)F)cc1O)CC1CC1 ZINC001233451218 818623601 /nfs/dbraw/zinc/62/36/01/818623601.db2.gz BXEHBTQAKTWKSU-UHFFFAOYSA-N 1 0 259.271 3.253 20 10 CGCDRO COCC[N@H+](Cc1ccc(C(F)(F)F)cc1O)C(C)C ZINC001233454155 818623997 /nfs/dbraw/zinc/62/39/97/818623997.db2.gz IMPSGKPMTNAJBP-UHFFFAOYSA-N 1 0 291.313 3.268 20 10 CGCDRO Cc1ccc([C@H]2CCC[N@@H+]2Cc2cc(O)c(O)cc2O)cc1 ZINC001233485033 818624686 /nfs/dbraw/zinc/62/46/86/818624686.db2.gz GSZDIHCRUXSVMU-OAHLLOKOSA-N 1 0 299.370 3.449 20 10 CGCDRO CC(C)[N@H+](Cc1ccccc1)Cc1cc(O)c(O)cc1O ZINC001233482260 818625725 /nfs/dbraw/zinc/62/57/25/818625725.db2.gz GXUPRGHNMHTTLI-UHFFFAOYSA-N 1 0 287.359 3.214 20 10 CGCDRO CSCC[N@H+](C)Cc1ccc(C(F)(F)F)cc1O ZINC001233455793 818625830 /nfs/dbraw/zinc/62/58/30/818625830.db2.gz YUPDBJXUWKNUAI-UHFFFAOYSA-N 1 0 279.327 3.206 20 10 CGCDRO CC[NH+](CC)Cc1c(O)ccc2ccc(OC)cc21 ZINC001234518128 818871262 /nfs/dbraw/zinc/87/12/62/818871262.db2.gz DXURQWXLSVTQBH-UHFFFAOYSA-N 1 0 259.349 3.396 20 10 CGCDRO CC[NH+]1CCN(c2ccc(O[C@H](C)C3CC3)cc2)CC1 ZINC001234657980 818908781 /nfs/dbraw/zinc/90/87/81/818908781.db2.gz PKOFDHMAQSFAQO-CQSZACIVSA-N 1 0 274.408 3.006 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(CN2CC3(C2)CCC[NH2+]3)cc1 ZINC001235197219 819033791 /nfs/dbraw/zinc/03/37/91/819033791.db2.gz DYODTXRBRMTSSK-UHFFFAOYSA-N 1 0 295.430 3.032 20 10 CGCDRO Cc1cc(CN2CC3(C2)CCC[NH2+]3)c(C)n1-c1ccccc1 ZINC001235202390 819035306 /nfs/dbraw/zinc/03/53/06/819035306.db2.gz NRFXOWHKJMQLCP-UHFFFAOYSA-N 1 0 295.430 3.032 20 10 CGCDRO Cn1cc(C[N@H+](C)Cc2ccc(C(C)(C)C)cc2O)cn1 ZINC001235676388 819137094 /nfs/dbraw/zinc/13/70/94/819137094.db2.gz SABPTDIPVJNUQQ-UHFFFAOYSA-N 1 0 287.407 3.055 20 10 CGCDRO Nc1ccc(C[N@@H+]2CCC[C@@H](Oc3ccccc3)C2)cc1 ZINC001235689695 819142063 /nfs/dbraw/zinc/14/20/63/819142063.db2.gz BJXQKLJXHFXABN-GOSISDBHSA-N 1 0 282.387 3.312 20 10 CGCDRO C[C@@H]1CC[C@H]([NH3+])CN1Cc1c(O)ccc(Cl)c1Cl ZINC001235891837 819200787 /nfs/dbraw/zinc/20/07/87/819200787.db2.gz JTKAJAOXVYHJPU-BDAKNGLRSA-N 1 0 289.206 3.011 20 10 CGCDRO Nc1cccc2c1CC[N@H+](Cc1ccc(Cl)cc1O)C2 ZINC001236363428 819436134 /nfs/dbraw/zinc/43/61/34/819436134.db2.gz LJKHHUMVDBXORP-UHFFFAOYSA-N 1 0 288.778 3.186 20 10 CGCDRO C[C@H]1[C@H]([NH3+])CCCN1Cc1cc(C(C)(C)C)ccc1O ZINC001236415966 819462110 /nfs/dbraw/zinc/46/21/10/819462110.db2.gz BACHBKXXMRDGKV-SWLSCSKDSA-N 1 0 276.424 3.001 20 10 CGCDRO C[C@H]1[C@H]([NH3+])CCCN1Cc1ccc(N(C)C)c2ccccc12 ZINC001236420483 819466709 /nfs/dbraw/zinc/46/67/09/819466709.db2.gz MTYHFOHBERDWCP-KBXCAEBGSA-N 1 0 297.446 3.217 20 10 CGCDRO CCN(CC)c1ccc(CN(C(C)C)[C@H]2CC[NH2+]C2)cc1 ZINC001236528897 819520619 /nfs/dbraw/zinc/52/06/19/819520619.db2.gz LEYXBSUUULNDEB-SFHVURJKSA-N 1 0 289.467 3.105 20 10 CGCDRO CC(C)N(Cc1ccc2ccccc2c1O)[C@H]1CC[NH2+]C1 ZINC001236531502 819523738 /nfs/dbraw/zinc/52/37/38/819523738.db2.gz ZQOYHTBHDDFIBF-INIZCTEOSA-N 1 0 284.403 3.118 20 10 CGCDRO Cc1cccnc1O[C@@H]1CCC[N@H+](Cc2ccc(N)cc2)C1 ZINC001236537344 819527860 /nfs/dbraw/zinc/52/78/60/819527860.db2.gz VXYSCHOFETWHGU-QGZVFWFLSA-N 1 0 297.402 3.016 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](C)[C@H](C)C2)cc1OC ZINC001236749053 819590172 /nfs/dbraw/zinc/59/01/72/819590172.db2.gz FLCBEUFHTATAHZ-CHWSQXEVSA-N 1 0 293.407 3.277 20 10 CGCDRO CCc1ccc(C[N@@H+]2CCCC[C@@H](F)C2)c(O)c1 ZINC001236783541 819593564 /nfs/dbraw/zinc/59/35/64/819593564.db2.gz LYCQBKAKNQXASI-CQSZACIVSA-N 1 0 251.345 3.279 20 10 CGCDRO CCc1ccc(C[N@@H+]2Cc3ccc(OC)cc3C2)c(O)c1 ZINC001236787293 819594503 /nfs/dbraw/zinc/59/45/03/819594503.db2.gz ASTBPHWOHJONHI-UHFFFAOYSA-N 1 0 283.371 3.479 20 10 CGCDRO Oc1ccc(OCc2ccccc2)cc1C[NH+]1CCC1 ZINC001236791598 819594521 /nfs/dbraw/zinc/59/45/21/819594521.db2.gz HMGXOIXXGSXKPW-UHFFFAOYSA-N 1 0 269.344 3.177 20 10 CGCDRO CCc1ccc(C[N@H+](C)Cc2cccnc2C)c(O)c1 ZINC001236788855 819595110 /nfs/dbraw/zinc/59/51/10/819595110.db2.gz ROKSEJUJBHLEBL-UHFFFAOYSA-N 1 0 270.376 3.290 20 10 CGCDRO CCc1ccc(C[N@@H+]2CC[C@@H](COCC3CC3)C2)c(O)c1 ZINC001236793495 819596651 /nfs/dbraw/zinc/59/66/51/819596651.db2.gz XBRNOYWORHAORA-MRXNPFEDSA-N 1 0 289.419 3.203 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CCC[C@@H](F)CC2)c(O)c1 ZINC001236807358 819601093 /nfs/dbraw/zinc/60/10/93/819601093.db2.gz GIGCWZCXYWKVMJ-GFCCVEGCSA-N 1 0 267.344 3.033 20 10 CGCDRO COc1cc(C)c(C[N@H+]2C[C@H]3[C@H](CCC3(F)F)C2)c(O)c1 ZINC001236809354 819603836 /nfs/dbraw/zinc/60/38/36/819603836.db2.gz VWCLJUMVQGASCF-RISCZKNCSA-N 1 0 297.345 3.186 20 10 CGCDRO COc1cc(C)c(C[NH+]2CCC(C)(F)CC2)c(O)c1 ZINC001236809037 819604672 /nfs/dbraw/zinc/60/46/72/819604672.db2.gz STDWBFWWPKZVDG-UHFFFAOYSA-N 1 0 267.344 3.033 20 10 CGCDRO COc1cc(C)c(C[NH+]2[C@@H](C)CCC[C@@H]2C)c(O)c1 ZINC001236818637 819606897 /nfs/dbraw/zinc/60/68/97/819606897.db2.gz PUHXAIAJOCOKHM-STQMWFEESA-N 1 0 263.381 3.472 20 10 CGCDRO C[C@H]1C[N@H+](Cc2cc3ccccc3cc2O)CCCO1 ZINC001236826172 819607269 /nfs/dbraw/zinc/60/72/69/819607269.db2.gz HRARPYYRCWAMJM-ZDUSSCGKSA-N 1 0 271.360 3.156 20 10 CGCDRO Oc1cc2ccccc2cc1C[N@@H+]1CC[C@@]2(CCCO2)C1 ZINC001236826153 819608526 /nfs/dbraw/zinc/60/85/26/819608526.db2.gz HJBDQLPJFYJJTB-SFHVURJKSA-N 1 0 283.371 3.300 20 10 CGCDRO C[N@H+](Cc1cc2ccccc2cc1O)[C@H]1CC[C@H](O)CC1 ZINC001236827497 819610127 /nfs/dbraw/zinc/61/01/27/819610127.db2.gz UHDXHZYFPKZZLY-QAQDUYKDSA-N 1 0 285.387 3.281 20 10 CGCDRO C[C@@H]1C[N@@H+](Cc2cc3ccccc3cc2O)C[C@H](C)N1C ZINC001236833845 819612718 /nfs/dbraw/zinc/61/27/18/819612718.db2.gz QMVGHLNKLQKESH-OKILXGFUSA-N 1 0 284.403 3.070 20 10 CGCDRO CC(C)c1ccc(C[N@H+](C)[C@H]2CC[C@H](O)CC2)c(O)c1 ZINC001237044363 819649604 /nfs/dbraw/zinc/64/96/04/819649604.db2.gz CIZZQVXRAGGHJV-WKILWMFISA-N 1 0 277.408 3.251 20 10 CGCDRO CCOc1ccc(C[N@H+](C)Cc2ccc(C)nc2)c(O)c1 ZINC001237047400 819650660 /nfs/dbraw/zinc/65/06/60/819650660.db2.gz WRKASWNMWWFIKR-UHFFFAOYSA-N 1 0 286.375 3.126 20 10 CGCDRO CCOc1ccc(C[NH+]2CC3(C2)CC(F)(F)C3)c(O)c1 ZINC001237045535 819650693 /nfs/dbraw/zinc/65/06/93/819650693.db2.gz QEUUXSWPJSUEKI-UHFFFAOYSA-N 1 0 283.318 3.022 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CCCC[C@H](F)C2)c(O)c1 ZINC001237050150 819652809 /nfs/dbraw/zinc/65/28/09/819652809.db2.gz QKNBRZDVKKKUQX-ZDUSSCGKSA-N 1 0 267.344 3.115 20 10 CGCDRO C[N@H+](CCC1CC1)Cc1c(O)ccc(F)c1Cl ZINC001237131969 819674686 /nfs/dbraw/zinc/67/46/86/819674686.db2.gz ZDEUDSVREBVZBJ-UHFFFAOYSA-N 1 0 257.736 3.417 20 10 CGCDRO Cc1cccc(O)c1C[N@H+]1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001237486236 819762964 /nfs/dbraw/zinc/76/29/64/819762964.db2.gz ZCWLBFRYZQDTCS-TXEJJXNPSA-N 1 0 267.319 3.178 20 10 CGCDRO Cc1cccc(O)c1C[N@H+]1CC[C@H](Oc2ccncc2C)C1 ZINC001237490720 819764845 /nfs/dbraw/zinc/76/48/45/819764845.db2.gz AFSMKDBSWDBEFA-HNNXBMFYSA-N 1 0 298.386 3.057 20 10 CGCDRO COc1cc(C[NH+]2CCC(C)(C)CC2)c(O)c(OC)c1 ZINC001237675217 819804218 /nfs/dbraw/zinc/80/42/18/819804218.db2.gz BWWUYOHEVQNOKW-UHFFFAOYSA-N 1 0 279.380 3.031 20 10 CGCDRO COc1cc(C[N@H+]2[C@H](C)CCC[C@@H]2C)c(O)c(OC)c1 ZINC001237674406 819804614 /nfs/dbraw/zinc/80/46/14/819804614.db2.gz GIEIRGRSSMBENT-TXEJJXNPSA-N 1 0 279.380 3.172 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+]2C[C@@H]3CCCC(=O)[C@H]3C2)c1O ZINC001237690143 819807889 /nfs/dbraw/zinc/80/78/89/819807889.db2.gz MUCJPKJLLKMIFW-FZMZJTMJSA-N 1 0 293.794 3.155 20 10 CGCDRO [O-]c1c(Cl)cc(F)cc1C[N@H+]1C[C@H]2[C@H](CC2(F)F)C1 ZINC001237799241 819845584 /nfs/dbraw/zinc/84/55/84/819845584.db2.gz GAFNPVPLZJWMIJ-SCZZXKLOSA-N 1 0 291.700 3.272 20 10 CGCDRO CC(C)O[C@H]1CC[N@H+](Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001237950627 819891232 /nfs/dbraw/zinc/89/12/32/819891232.db2.gz YQNUQTLXRYLHHF-NSHDSACASA-N 1 0 287.762 3.184 20 10 CGCDRO COc1ccc(C[N@H+](C)Cc2cc(F)cc(C)c2O)cc1 ZINC001238065719 819922157 /nfs/dbraw/zinc/92/21/57/819922157.db2.gz ZQOBDSOGGOSTDF-UHFFFAOYSA-N 1 0 289.350 3.480 20 10 CGCDRO c1cc(N2CCCC2)ccc1C[NH2+]CC[C@H]1CCCOC1 ZINC001334909675 936121712 /nfs/dbraw/zinc/12/17/12/936121712.db2.gz VAARFLJLKFXYTI-QGZVFWFLSA-N 1 0 288.435 3.193 20 10 CGCDRO COc1ccc(C[NH+]2CCC(C3CC3)CC2)c(O)c1OC ZINC001355320369 937136796 /nfs/dbraw/zinc/13/67/96/937136796.db2.gz DHYQAIYQPGYDCH-UHFFFAOYSA-N 1 0 291.391 3.031 20 10 CGCDRO Nc1ccc(C[N@@H+]2C[C@@H]3C[C@]3(c3ccccc3)C2)cc1 ZINC001356083515 937152951 /nfs/dbraw/zinc/15/29/51/937152951.db2.gz QUFDNROSGJFUCT-FUHWJXTLSA-N 1 0 264.372 3.042 20 10 CGCDRO CCC[N@@H+](Cc1ccccc1O)CC1CCC(O)CC1 ZINC001327547000 928678576 /nfs/dbraw/zinc/67/85/76/928678576.db2.gz QOTGNJJBNMHLMD-UHFFFAOYSA-N 1 0 277.408 3.155 20 10 CGCDRO COc1ccc(N2CC[NH+](CCCC3CC3)CC2)cc1F ZINC001459749312 937498706 /nfs/dbraw/zinc/49/87/06/937498706.db2.gz MNIRQOFTZBJIJC-UHFFFAOYSA-N 1 0 292.398 3.147 20 10 CGCDRO Cc1ccc(C)c(C[N@@H+]2CCC(=O)[C@@H]3CCCC[C@H]32)c1O ZINC001140178408 931957352 /nfs/dbraw/zinc/95/73/52/931957352.db2.gz KXTFECYRJBUELE-GDBMZVCRSA-N 1 0 287.403 3.343 20 10 CGCDRO c1ccc2c(c1)CC([NH2+]Cc1ccc3c(c1)CCCO3)C2 ZINC001461417178 937580396 /nfs/dbraw/zinc/58/03/96/937580396.db2.gz KGQAQKKXFBBZMN-UHFFFAOYSA-N 1 0 279.383 3.269 20 10 CGCDRO CCC[C@@H](C)[C@H](CO)[NH2+]Cc1c(C)c2ccccc2n1C ZINC001461622246 937589004 /nfs/dbraw/zinc/58/90/04/937589004.db2.gz XSGYQOBOCQRPPS-CJNGLKHVSA-N 1 0 288.435 3.373 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@@H]2C[C@H](C)O[C@H]2C)cc1C ZINC001461682910 937592344 /nfs/dbraw/zinc/59/23/44/937592344.db2.gz IVYXDNNQVBHWJX-OFQRWUPVSA-N 1 0 277.408 3.439 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@@H](CCC)CCO)cc1C ZINC001461694910 937592574 /nfs/dbraw/zinc/59/25/74/937592574.db2.gz NVSGVPSJJGGIPA-INIZCTEOSA-N 1 0 279.424 3.425 20 10 CGCDRO CC[C@H]1CN(C)CC[N@@H+]1Cc1cc(C(C)C)ccc1O ZINC001462272987 937629245 /nfs/dbraw/zinc/62/92/45/937629245.db2.gz PYLZUDORVZAKKS-INIZCTEOSA-N 1 0 276.424 3.042 20 10 CGCDRO CC1(C)CC[C@H](C[NH2+]Cc2ccc(Cl)cc2O)OC1 ZINC001462542703 937649267 /nfs/dbraw/zinc/64/92/67/937649267.db2.gz MQXKWXHZEVJAHF-CYBMUJFWSA-N 1 0 283.799 3.340 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@H]2CCCC(C)(C)O2)c1O ZINC001462634554 937655239 /nfs/dbraw/zinc/65/52/39/937655239.db2.gz LIPKEZNPUOWGIJ-OAHLLOKOSA-N 1 0 277.408 3.392 20 10 CGCDRO COc1ccc(C[NH2+]Cc2cc(F)cc(F)c2[O-])c(F)c1 ZINC001308329109 933096279 /nfs/dbraw/zinc/09/62/79/933096279.db2.gz RJQHYKUMOXPWCG-UHFFFAOYSA-N 1 0 297.276 3.108 20 10 CGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC001308489202 933118707 /nfs/dbraw/zinc/11/87/07/933118707.db2.gz OHESLLSRJLGSLV-NLNKHKNDSA-N 1 0 286.419 3.388 20 10 CGCDRO CCC[C@H](C)[C@H](CO)[NH2+]Cc1cc(C(C)C)ccc1O ZINC001308848459 933189524 /nfs/dbraw/zinc/18/95/24/933189524.db2.gz SEWCCTHGCFEZLT-BBRMVZONSA-N 1 0 279.424 3.402 20 10 CGCDRO CCC[C@@H](C[NH2+]Cc1ccc(Cl)cc1O)OCC ZINC001308881642 933196534 /nfs/dbraw/zinc/19/65/34/933196534.db2.gz XUZNEAQFDNTACJ-ZDUSSCGKSA-N 1 0 271.788 3.340 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+][C@H]2COC[C@H]2C2CC2)c1 ZINC001308975849 933219391 /nfs/dbraw/zinc/21/93/91/933219391.db2.gz ZFPFEQKERPMIQG-HOTGVXAUSA-N 1 0 275.392 3.030 20 10 CGCDRO OCCCC[N@H+](Cc1ccc(N2CCCC2)cc1)C1CC1 ZINC001319822360 933939018 /nfs/dbraw/zinc/93/90/18/933939018.db2.gz DASUNGGFOCMZJI-UHFFFAOYSA-N 1 0 288.435 3.024 20 10 CGCDRO Cc1cc(O)c(C[N@@H+](Cc2ccccc2)[C@H](C)CO)cc1C ZINC001320510329 934057615 /nfs/dbraw/zinc/05/76/15/934057615.db2.gz VRHJCGBWLMKXMY-MRXNPFEDSA-N 1 0 299.414 3.392 20 10 CGCDRO COc1ccc(O)c(C[N@H+](C)[C@H]2CC[C@@H](SC)C2)c1 ZINC001320637238 934077318 /nfs/dbraw/zinc/07/73/18/934077318.db2.gz LGBSDZYWFHOVTP-GXTWGEPZSA-N 1 0 281.421 3.117 20 10 CGCDRO CC[C@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)C[C@H](C)O1 ZINC001323302696 934381988 /nfs/dbraw/zinc/38/19/88/934381988.db2.gz GJVNDQJDARVIAA-YJBOKZPZSA-N 1 0 288.435 3.286 20 10 CGCDRO Oc1ccccc1[C@H](CCc1ccccc1)[NH2+][C@H]1CCOC1 ZINC001324288942 934482673 /nfs/dbraw/zinc/48/26/73/934482673.db2.gz SLKZGIMOTAGKCR-WMZOPIPTSA-N 1 0 297.398 3.445 20 10 CGCDRO C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC001324847235 934865997 /nfs/dbraw/zinc/86/59/97/934865997.db2.gz DFPVMUFHZJXPAF-DGCLKSJQSA-N 1 0 291.391 3.089 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C[C@@H]1CCCC[C@H]1O ZINC001324848406 934866278 /nfs/dbraw/zinc/86/62/78/934866278.db2.gz OYADKOKSFHIZOZ-LXTVHRRPSA-N 1 0 289.419 3.390 20 10 CGCDRO Nc1ccc(CC[NH2+]Cc2ccccc2N2CCCC2)cc1 ZINC001325318351 934903316 /nfs/dbraw/zinc/90/33/16/934903316.db2.gz FVTARDFFTWBBKV-UHFFFAOYSA-N 1 0 295.430 3.201 20 10 CGCDRO CC[C@@H]([NH2+]CC[C@H](C)[NH2+]C)c1cccc(Cl)c1[O-] ZINC001325755799 934927457 /nfs/dbraw/zinc/92/74/57/934927457.db2.gz HXIDPGOBWBBGKL-GXFFZTMASA-N 1 0 270.804 3.084 20 10 CGCDRO C[NH2+][C@@H](C)CC[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC001326473701 934982009 /nfs/dbraw/zinc/98/20/09/934982009.db2.gz NVKQAWVPAPCHRG-IUCAKERBSA-N 1 0 291.222 3.348 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+][C@@H]1CCC[C@H](F)C1 ZINC001326976798 935018796 /nfs/dbraw/zinc/01/87/96/935018796.db2.gz IJAQAQBSPISYIA-VHSXEESVSA-N 1 0 257.736 3.416 20 10 CGCDRO Cc1ccncc1CC[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001327583463 935072394 /nfs/dbraw/zinc/07/23/94/935072394.db2.gz SHFAHIXAAFJETI-UHFFFAOYSA-N 1 0 295.430 3.323 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)c1O ZINC001328252648 935126592 /nfs/dbraw/zinc/12/65/92/935126592.db2.gz ISWSFPCHNOQECY-MCIONIFRSA-N 1 0 281.346 3.478 20 10 CGCDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2CCC[C@H](F)C2)cc1F ZINC001329157876 935191150 /nfs/dbraw/zinc/19/11/50/935191150.db2.gz APROPDAPCCZSFE-NWDGAFQWSA-N 1 0 286.341 3.401 20 10 CGCDRO C[C@H]([NH2+]C1CC2(CC2(F)F)C1)c1cc(F)ccc1O ZINC001333324314 935525728 /nfs/dbraw/zinc/52/57/28/935525728.db2.gz BBOGYYQXSGJNQH-LUHBLDKBSA-N 1 0 271.282 3.370 20 10 CGCDRO COc1cc(C[NH2+][C@H](C)c2ccccc2O)ccc1F ZINC001333385042 935532619 /nfs/dbraw/zinc/53/26/19/935532619.db2.gz JMWZHVDKKUFIGC-LLVKDONJSA-N 1 0 275.323 3.391 20 10 CGCDRO COc1ccc(F)cc1[C@H](C)[NH2+]Cc1ccc(N)cc1 ZINC001337838182 936293754 /nfs/dbraw/zinc/29/37/54/936293754.db2.gz JQAYXSGGUCALNW-NSHDSACASA-N 1 0 274.339 3.267 20 10 CGCDRO CC[C@H]1C[N@H+](Cc2c(C)cc(OC)cc2O)CCS1 ZINC001474369886 937855456 /nfs/dbraw/zinc/85/54/56/937855456.db2.gz RANSWXYEWPOADD-ZDUSSCGKSA-N 1 0 281.421 3.037 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2O)CS1 ZINC001474581315 937868529 /nfs/dbraw/zinc/86/85/29/937868529.db2.gz QUSUWQCPEOEILI-LDYMZIIASA-N 1 0 257.786 3.029 20 10 CGCDRO CCO[C@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC001474608552 937870039 /nfs/dbraw/zinc/87/00/39/937870039.db2.gz GOGXXOKETDCGOJ-KGLIPLIRSA-N 1 0 283.799 3.483 20 10 CGCDRO Oc1cc(Cl)ccc1C[NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC001474694437 937875573 /nfs/dbraw/zinc/87/55/73/937875573.db2.gz DBURRCFHHGHYNT-DGFSRKRXSA-N 1 0 281.783 3.093 20 10 CGCDRO CCOc1ccc(N2CC[NH+](CCCC3CC3)CC2)cc1 ZINC001559667808 938232245 /nfs/dbraw/zinc/23/22/45/938232245.db2.gz GOGSDCRHPLFJAG-UHFFFAOYSA-N 1 0 288.435 3.398 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@@H]2C[C@]2(C)OCC)cc1C ZINC001560538551 938262271 /nfs/dbraw/zinc/26/22/71/938262271.db2.gz URMASQNWVPFBCL-SJORKVTESA-N 1 0 277.408 3.441 20 10 CGCDRO Oc1cc(Cl)ccc1C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC001560628420 938267052 /nfs/dbraw/zinc/26/70/52/938267052.db2.gz JYNJQNYAQXLLGU-LBPRGKRZSA-N 1 0 291.782 3.148 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCCN(c3ccccc3)CC2)c(O)c1 ZINC001560648630 938268043 /nfs/dbraw/zinc/26/80/43/938268043.db2.gz RQRWMZFGDHTMCX-UHFFFAOYSA-N 1 0 296.414 3.413 20 10 CGCDRO CCC[N@H+](Cc1c(O)cc(C)cc1Cl)CC(C)(C)O ZINC001560683440 938269048 /nfs/dbraw/zinc/26/90/48/938269048.db2.gz YTJWUIULLFCHHC-UHFFFAOYSA-N 1 0 285.815 3.337 20 10 CGCDRO CCC[N@H+](Cc1cc(F)c(N(C)C)cc1F)C1CC1 ZINC001560707591 938271499 /nfs/dbraw/zinc/27/14/99/938271499.db2.gz OSWSCYZBIYMMAZ-UHFFFAOYSA-N 1 0 268.351 3.405 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH+]2CC3(C2)CCOCC3)c1 ZINC001560875827 938281524 /nfs/dbraw/zinc/28/15/24/938281524.db2.gz IICNULMDNMDLQQ-UHFFFAOYSA-N 1 0 275.392 3.128 20 10 CGCDRO CC[C@H](C)CC[NH2+]Cc1c(C)cc(OC)cc1O ZINC001560923917 938284320 /nfs/dbraw/zinc/28/43/20/938284320.db2.gz RORJJCNHTFXZNS-NSHDSACASA-N 1 0 251.370 3.235 20 10 CGCDRO COc1ccc2c(c1)C[C@H](C(C)C)CN2C[C@H]1C[C@@H]([NH3+])C1 ZINC001579245729 962621622 /nfs/dbraw/zinc/62/16/22/962621622.db2.gz ZPNMAGAVMMZHIV-CWRNSKLLSA-N 1 0 288.435 3.067 20 10 CGCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]C[C@@H]1CCCO1 ZINC000011782486 344878914 /nfs/dbraw/zinc/87/89/14/344878914.db2.gz SPXQULTYPVSQSB-KRWDZBQOSA-N 1 0 283.371 3.328 20 10 CGCDRO Oc1ccc2ccccc2c1CN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000052087648 345098843 /nfs/dbraw/zinc/09/88/43/345098843.db2.gz MAPQHGZTDQVWKQ-MRXNPFEDSA-N 1 0 296.414 3.216 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+](C)[C@@H]2CCN(C)[C@H](C)C2)c1O ZINC000180424378 346254543 /nfs/dbraw/zinc/25/45/43/346254543.db2.gz NDMQFPFATKQHCL-IUODEOHRSA-N 1 0 296.842 3.269 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccccc2)c1 ZINC000019899562 368776166 /nfs/dbraw/zinc/77/61/66/368776166.db2.gz WTKWRACXJFGHSS-GFCCVEGCSA-N 1 0 257.333 3.252 20 10 CGCDRO CN(C)c1ccc(C[NH2+]Cc2ccccc2F)cc1 ZINC000019949579 368789484 /nfs/dbraw/zinc/78/94/84/368789484.db2.gz UUXSXRJLSNVHGK-UHFFFAOYSA-N 1 0 258.340 3.182 20 10 CGCDRO COCc1cccc(C[NH2+]Cc2ccc(N(C)C)cc2)c1 ZINC000038010487 369139171 /nfs/dbraw/zinc/13/91/71/369139171.db2.gz ZMITXRMQPBEWTE-UHFFFAOYSA-N 1 0 284.403 3.189 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1CCCSC1)c1cc(F)ccc1O ZINC000286895997 371569421 /nfs/dbraw/zinc/56/94/21/371569421.db2.gz DHPVMYNJUSQUEP-MNOVXSKESA-N 1 0 269.385 3.325 20 10 CGCDRO C[C@H]1Oc2ccccc2[C@@H]1[NH2+]Cc1ccccc1O ZINC000288466010 371740151 /nfs/dbraw/zinc/74/01/51/371740151.db2.gz FGHSVECDUYIUAC-BDJLRTHQSA-N 1 0 255.317 3.004 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H]2c3ccccc3O[C@H]2C)c1 ZINC000288434489 371737417 /nfs/dbraw/zinc/73/74/17/371737417.db2.gz BVFJDIZGTYJFHF-YVEFUNNKSA-N 1 0 269.344 3.312 20 10 CGCDRO CCC[C@H](CCO)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000152439997 371696159 /nfs/dbraw/zinc/69/61/59/371696159.db2.gz SQUOAOPJMUTVDD-HUUCEWRRSA-N 1 0 278.440 3.202 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2nccs2)c(O)c1 ZINC000293594136 372420242 /nfs/dbraw/zinc/42/02/42/372420242.db2.gz FPNPYCBCGFPYRJ-NSHDSACASA-N 1 0 262.378 3.316 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(C)(C)SC)c1 ZINC000168813444 372621717 /nfs/dbraw/zinc/62/17/17/372621717.db2.gz XKAUARPMGOZRKS-JTQLQIEISA-N 1 0 269.410 3.193 20 10 CGCDRO Oc1cc2c(cc1C[NH2+]C[C@H]1CCCCC1(F)F)OCO2 ZINC000295187182 372698198 /nfs/dbraw/zinc/69/81/98/372698198.db2.gz WUMBGQOEFVWSDP-LLVKDONJSA-N 1 0 299.317 3.036 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCc2ccncc2)c(O)c1 ZINC000294620607 372661862 /nfs/dbraw/zinc/66/18/62/372661862.db2.gz FGZOLPBQSKPWDQ-CQSZACIVSA-N 1 0 270.376 3.297 20 10 CGCDRO COCC1CCC([NH2+]Cc2ccc(N(C)C)cc2)CC1 ZINC000294897129 372676292 /nfs/dbraw/zinc/67/62/92/372676292.db2.gz YVMBZOZOHCDKNP-UHFFFAOYSA-N 1 0 276.424 3.047 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(N(C)CC)cc1)C(C)(C)O ZINC000295016649 372686923 /nfs/dbraw/zinc/68/69/23/372686923.db2.gz NEUYZAGIHLEDTO-XJKSGUPXSA-N 1 0 278.440 3.343 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)c1 ZINC000295128971 372693387 /nfs/dbraw/zinc/69/33/87/372693387.db2.gz YEDINUZPPCKLCF-SJLPKXTDSA-N 1 0 298.386 3.106 20 10 CGCDRO CCn1cc([C@H](C)[NH2+][C@H](C)c2cc(C)ccc2O)cn1 ZINC000295951440 372971394 /nfs/dbraw/zinc/97/13/94/372971394.db2.gz MGRQNNTWQGGTQZ-QWHCGFSZSA-N 1 0 273.380 3.329 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]CCCNc1ccccc1)CC2 ZINC000296233609 373062204 /nfs/dbraw/zinc/06/22/04/373062204.db2.gz ANOYTFUKCJHDHL-INIZCTEOSA-N 1 0 282.387 3.471 20 10 CGCDRO Cc1cccnc1CCC[NH2+][C@H](C)c1ccccc1O ZINC000296527100 373165443 /nfs/dbraw/zinc/16/54/43/373165443.db2.gz QHIKMKZOYRKSII-CQSZACIVSA-N 1 0 270.376 3.379 20 10 CGCDRO CO[C@@H](C[NH2+][C@@H](C)c1ccccc1O)Cc1ccccc1 ZINC000296403384 373122766 /nfs/dbraw/zinc/12/27/66/373122766.db2.gz VZESEGHEPISJPX-GOEBONIOSA-N 1 0 285.387 3.301 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCc2ncccc2C)c1 ZINC000296411710 373124393 /nfs/dbraw/zinc/12/43/93/373124393.db2.gz KXLOAUKMCBPVRX-AWEZNQCLSA-N 1 0 270.376 3.297 20 10 CGCDRO CC(F)(F)CCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297248924 373263396 /nfs/dbraw/zinc/26/33/96/373263396.db2.gz JCUVTOVMLQDDLX-NSHDSACASA-N 1 0 255.308 3.405 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1c(F)cncc1F ZINC000297348414 373268631 /nfs/dbraw/zinc/26/86/31/373268631.db2.gz PAISRGGRKTTYBY-NOZJJQNGSA-N 1 0 290.313 3.404 20 10 CGCDRO C[C@H]([NH2+]CC[C@H]1CCCCO1)c1ccc(N(C)C)cc1 ZINC000180257047 373984626 /nfs/dbraw/zinc/98/46/26/373984626.db2.gz TWOGJEFUIGOKLM-WMLDXEAASA-N 1 0 276.424 3.362 20 10 CGCDRO Cn1cc(Cl)cc1C[N@H+](C)Cc1cc(F)ccc1O ZINC000180266953 373985316 /nfs/dbraw/zinc/98/53/16/373985316.db2.gz XFTTVNKVKPCZGD-UHFFFAOYSA-N 1 0 282.746 3.155 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1CCO)c1cc(Cl)ccc1O ZINC000187975193 375128883 /nfs/dbraw/zinc/12/88/83/375128883.db2.gz XAYKYCVHJXGEJR-WDMOLILDSA-N 1 0 283.799 3.247 20 10 CGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000475195115 375132133 /nfs/dbraw/zinc/13/21/33/375132133.db2.gz HEYUBPRYOLQLPL-OLMNPRSZSA-N 1 0 298.430 3.390 20 10 CGCDRO COc1cc(O)c(C[NH2+]CC(C)(C)C(C)C)cc1OC ZINC000188974148 375304765 /nfs/dbraw/zinc/30/47/65/375304765.db2.gz QPIDXARIRKCTLS-UHFFFAOYSA-N 1 0 281.396 3.181 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ncccc2Cl)c1 ZINC000528440320 375901877 /nfs/dbraw/zinc/90/18/77/375901877.db2.gz XSNYVZHJOHCDIO-JTQLQIEISA-N 1 0 292.766 3.300 20 10 CGCDRO Oc1cccc(Cl)c1C[NH+]1CC(Cc2ccco2)C1 ZINC000529650304 375931674 /nfs/dbraw/zinc/93/16/74/375931674.db2.gz YLNMMMKVPGGCNL-UHFFFAOYSA-N 1 0 277.751 3.313 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+]Cc2cccnc2C)c1O ZINC000529662113 375933521 /nfs/dbraw/zinc/93/35/21/375933521.db2.gz NXAIZUVSMPGSMF-UHFFFAOYSA-N 1 0 276.767 3.347 20 10 CGCDRO CC[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1cccc(Cl)c1[O-] ZINC000530219363 375939811 /nfs/dbraw/zinc/93/98/11/375939811.db2.gz ZYFBWFURYPPPSZ-KGLIPLIRSA-N 1 0 294.826 3.371 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1cccc(Cl)c1[O-] ZINC000530219367 375939977 /nfs/dbraw/zinc/93/99/77/375939977.db2.gz ZYFBWFURYPPPSZ-ZIAGYGMSSA-N 1 0 294.826 3.371 20 10 CGCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+][C@H]1CC[C@H](O)CC1 ZINC000269882591 378276184 /nfs/dbraw/zinc/27/61/84/378276184.db2.gz STUKUKASCQMFCK-IYARVYRRSA-N 1 0 297.398 3.452 20 10 CGCDRO CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2ccccc2O)CCO1 ZINC000270649403 378381619 /nfs/dbraw/zinc/38/16/19/378381619.db2.gz LMEHVCSDFFPJLZ-ZFWWWQNUSA-N 1 0 263.381 3.076 20 10 CGCDRO Cc1ccc(O)c(C[N@H+]2CC=C(C(F)(F)F)CC2)c1 ZINC000271166012 378469285 /nfs/dbraw/zinc/46/92/85/378469285.db2.gz CHANHMNRAXIEJA-UHFFFAOYSA-N 1 0 271.282 3.395 20 10 CGCDRO CC[N@H+](CCCO)Cc1cc(-c2ccccc2)ccc1O ZINC000271199090 378480275 /nfs/dbraw/zinc/48/02/75/378480275.db2.gz OSEDRNWQKWPQQV-UHFFFAOYSA-N 1 0 285.387 3.264 20 10 CGCDRO CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+]Cc1ccccc1O ZINC000271337243 378490327 /nfs/dbraw/zinc/49/03/27/378490327.db2.gz GFXPKBDHGADFGB-SJCJKPOMSA-N 1 0 289.350 3.397 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](C)c1cn[nH]c1)c1ccc(N(C)C)cc1 ZINC000271429863 378491763 /nfs/dbraw/zinc/49/17/63/378491763.db2.gz CZECEKVHGGXHDJ-BLLLJJGKSA-N 1 0 272.396 3.278 20 10 CGCDRO CC[C@H]([NH2+]C[C@H](O)c1ccc(C)cc1)c1ccccc1O ZINC000271757030 378502231 /nfs/dbraw/zinc/50/22/31/378502231.db2.gz YZDNHZVCZLIWQU-WMZOPIPTSA-N 1 0 285.387 3.475 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CC[C@H](CO)CC2)c(O)c1C ZINC000273621873 378757400 /nfs/dbraw/zinc/75/74/00/378757400.db2.gz ZJFHDZWNAPRLMN-RBSFLKMASA-N 1 0 277.408 3.211 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]Cc2cccnc2)c(O)c1C ZINC000273394956 378743057 /nfs/dbraw/zinc/74/30/57/378743057.db2.gz LRETZXZMIQFYPP-ZDUSSCGKSA-N 1 0 256.349 3.255 20 10 CGCDRO Cc1cc(O)c(C[N@H+](C)Cc2ccccn2)cc1C ZINC000273423643 378745883 /nfs/dbraw/zinc/74/58/83/378745883.db2.gz RKGGZNOGIAZOAQ-UHFFFAOYSA-N 1 0 256.349 3.036 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCN3CCCC[C@@H]23)c(O)c1C ZINC000273404459 378746696 /nfs/dbraw/zinc/74/66/96/378746696.db2.gz OAGJTHOSESPKBN-XIRDDKMYSA-N 1 0 288.435 3.286 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CC2([C@H](O)C(C)C)CC2)c(O)c1 ZINC000273481221 378749690 /nfs/dbraw/zinc/74/96/90/378749690.db2.gz MDKRATYOVNEDCK-CZUORRHYSA-N 1 0 277.408 3.148 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCc3cn[nH]c32)c(O)c1 ZINC000273494466 378750229 /nfs/dbraw/zinc/75/02/29/378750229.db2.gz OVMGHKSGLCFHCS-FZMZJTMJSA-N 1 0 271.364 3.152 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCCc2nccs2)c1 ZINC000273508814 378750523 /nfs/dbraw/zinc/75/05/23/378750523.db2.gz RKUQTLKCPUMDCD-LBPRGKRZSA-N 1 0 276.405 3.441 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCO[C@H](C)C2)c(O)c1C ZINC000273505274 378750546 /nfs/dbraw/zinc/75/05/46/378750546.db2.gz QYDHENJTLAJIFJ-SNPRPXQTSA-N 1 0 277.408 3.475 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c(O)c1C ZINC000273587033 378753728 /nfs/dbraw/zinc/75/37/28/378753728.db2.gz OBCHMOKZVNYNMD-SDNTUTLCSA-N 1 0 289.419 3.473 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CCN(Cc2ccccc2)C1)c1ccccc1O ZINC000272800414 378706504 /nfs/dbraw/zinc/70/65/04/378706504.db2.gz BGQHVEVTEOWTES-WBVHZDCISA-N 1 0 296.414 3.317 20 10 CGCDRO CO[C@@H](C[NH2+][C@@H](C)c1ccc(C)cc1O)C(C)C ZINC000273597437 378755924 /nfs/dbraw/zinc/75/59/24/378755924.db2.gz RAHXEPYBBQGJGR-WFASDCNBSA-N 1 0 251.370 3.022 20 10 CGCDRO C[C@H]([NH2+]C1CCN(C2CCC2)CC1)c1ccccc1O ZINC000272928419 378724227 /nfs/dbraw/zinc/72/42/27/378724227.db2.gz YZXDMYUWHQPYFG-ZDUSSCGKSA-N 1 0 274.408 3.060 20 10 CGCDRO CCOc1cccc(C[NH2+]CC[C@H]2CCO[C@@H](C)C2)c1O ZINC000273005154 378732856 /nfs/dbraw/zinc/73/28/56/378732856.db2.gz AVXRWZUSOXYYAU-KBPBESRZSA-N 1 0 293.407 3.086 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](CCO)C(C)(C)C)c(O)c1C ZINC000273753769 378759008 /nfs/dbraw/zinc/75/90/08/378759008.db2.gz PGFBLWMXTPZSKE-HIFRSBDPSA-N 1 0 279.424 3.457 20 10 CGCDRO CCn1nc(C[N@H+](C)Cc2ccccc2O)c2ccccc21 ZINC000274553028 378851057 /nfs/dbraw/zinc/85/10/57/378851057.db2.gz JBQSTEGIGONXBN-UHFFFAOYSA-N 1 0 295.386 3.394 20 10 CGCDRO Cc1ccnc(C2CC[NH+](Cc3cccc(C)c3O)CC2)n1 ZINC000371888786 379181027 /nfs/dbraw/zinc/18/10/27/379181027.db2.gz ROVPRIYEVRVOND-UHFFFAOYSA-N 1 0 297.402 3.179 20 10 CGCDRO Cc1nc(F)ccc1C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000278548142 379400887 /nfs/dbraw/zinc/40/08/87/379400887.db2.gz URNJQTPMJSUYBA-UHFFFAOYSA-N 1 0 291.345 3.024 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCc3nn(C)cc32)c(O)c1 ZINC000282346681 379902437 /nfs/dbraw/zinc/90/24/37/379902437.db2.gz GVTXVBGNAUJVAK-IUODEOHRSA-N 1 0 285.391 3.162 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2CCCC23CCOCC3)cc1C ZINC000282721173 379975640 /nfs/dbraw/zinc/97/56/40/379975640.db2.gz QKDMSXUUEIJAEZ-KRWDZBQOSA-N 1 0 289.419 3.443 20 10 CGCDRO CCSCCC[NH2+][C@H](C)c1cc(C)ccc1O ZINC000282840218 380000181 /nfs/dbraw/zinc/00/01/81/380000181.db2.gz SSDHJNWDEIKPAR-GFCCVEGCSA-N 1 0 253.411 3.494 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CSC2(C)C)c(O)c1 ZINC000283388683 380059712 /nfs/dbraw/zinc/05/97/12/380059712.db2.gz PJBGLZCHSIFSLD-GWCFXTLKSA-N 1 0 251.395 3.245 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CSC2(C)C)c1 ZINC000283200789 380044937 /nfs/dbraw/zinc/04/49/37/380044937.db2.gz LHOYSFOFUDPYDD-GWCFXTLKSA-N 1 0 251.395 3.245 20 10 CGCDRO CO[C@H]1C[C@@H]([N@H+](C)Cc2c(O)ccc3ccccc32)C1 ZINC000285105779 380144622 /nfs/dbraw/zinc/14/46/22/380144622.db2.gz NUAKERLTVKCWOB-OKILXGFUSA-N 1 0 271.360 3.155 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCc3nc(C)ncc3C2)c1 ZINC000363855668 382258847 /nfs/dbraw/zinc/25/88/47/382258847.db2.gz AWYJWOCZUIAQNO-DOMZBBRYSA-N 1 0 297.402 3.007 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]Cc1ccccc1F)CC2 ZINC000296054548 285396756 /nfs/dbraw/zinc/39/67/56/285396756.db2.gz RIDUHGGGHBKEFI-AWEZNQCLSA-N 1 0 257.308 3.308 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H]2CSC)c1O ZINC000093761028 392239280 /nfs/dbraw/zinc/23/92/80/392239280.db2.gz WFQYUMHWBVOWCZ-CYBMUJFWSA-N 1 0 281.421 3.118 20 10 CGCDRO CC(C)(C)c1csc(C[NH2+]Cc2ccccc2O)n1 ZINC000105498408 392291367 /nfs/dbraw/zinc/29/13/67/392291367.db2.gz WKMNUWLQUWQOEL-UHFFFAOYSA-N 1 0 276.405 3.436 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCSC(C)C)c1 ZINC000283141391 392300342 /nfs/dbraw/zinc/30/03/42/392300342.db2.gz NZEZKMXIBIDUIX-LLVKDONJSA-N 1 0 269.410 3.193 20 10 CGCDRO CCCOc1ccc(C[NH2+]Cc2ccccc2O)cc1 ZINC000134226622 392466351 /nfs/dbraw/zinc/46/63/51/392466351.db2.gz VJUREBMPYJLKCI-UHFFFAOYSA-N 1 0 271.360 3.471 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000133693521 392462953 /nfs/dbraw/zinc/46/29/53/392462953.db2.gz KXTIJVBEHLSGAW-HNNXBMFYSA-N 1 0 253.345 3.382 20 10 CGCDRO Oc1ccccc1C[N@H+](CC1CCC1)C[C@H]1CCCO1 ZINC000173354485 392625786 /nfs/dbraw/zinc/62/57/86/392625786.db2.gz CJOJXNYMTSCKHI-MRXNPFEDSA-N 1 0 275.392 3.173 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000179558762 392702224 /nfs/dbraw/zinc/70/22/24/392702224.db2.gz SASJLZZYWJAZQG-KRWDZBQOSA-N 1 0 287.334 3.105 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](C)CC2)cc1OC ZINC000179441484 392702374 /nfs/dbraw/zinc/70/23/74/392702374.db2.gz TWZMVUDBRSQNOY-GFCCVEGCSA-N 1 0 279.380 3.031 20 10 CGCDRO Cn1cccc1[C@H]1CCCC[N@@H+]1Cc1ccccc1O ZINC000179584246 392703787 /nfs/dbraw/zinc/70/37/87/392703787.db2.gz QZQVRTNUCSUNSK-MRXNPFEDSA-N 1 0 270.376 3.458 20 10 CGCDRO CC[C@H]([NH2+]C[C@H](CC(C)C)N(C)C)c1ccccc1O ZINC000020201596 171065300 /nfs/dbraw/zinc/06/53/00/171065300.db2.gz ZYBBJTCPBOYPLG-HOCLYGCPSA-N 1 0 278.440 3.409 20 10 CGCDRO C[C@H]([NH2+]CCCCCO)c1ccc2ccccc2c1O ZINC000192926267 227386816 /nfs/dbraw/zinc/38/68/16/227386816.db2.gz MGBOGKSFYBCLAA-ZDUSSCGKSA-N 1 0 273.376 3.359 20 10 CGCDRO Cc1c([C@H](C)[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cnn1C ZINC000037321762 260088931 /nfs/dbraw/zinc/08/89/31/260088931.db2.gz NUTWPCVPBYDIFK-STQMWFEESA-N 1 0 286.423 3.206 20 10 CGCDRO C[C@H]([NH2+][C@H](CO)Cc1ccccc1)c1ccc(N(C)C)cc1 ZINC000130368674 260395632 /nfs/dbraw/zinc/39/56/32/260395632.db2.gz ZOGCRDHKRRVTTH-YJBOKZPZSA-N 1 0 298.430 3.007 20 10 CGCDRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1O)CCO2 ZINC000130445925 260396516 /nfs/dbraw/zinc/39/65/16/260396516.db2.gz ZHHFGGYJOBOLLZ-HNNXBMFYSA-N 1 0 285.343 3.014 20 10 CGCDRO COc1cccc(C[NH2+]C2(c3cccc(F)c3)CC2)c1O ZINC000152858174 261070767 /nfs/dbraw/zinc/07/07/67/261070767.db2.gz USUROCZOJUGJMZ-UHFFFAOYSA-N 1 0 287.334 3.319 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H](CCO)CC(C)C)c1ccccc1O ZINC000156148270 261115392 /nfs/dbraw/zinc/11/53/92/261115392.db2.gz VFYAUPIXHGNRSN-GDBMZVCRSA-N 1 0 279.424 3.478 20 10 CGCDRO CC[C@@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000159801436 261194226 /nfs/dbraw/zinc/19/42/26/261194226.db2.gz IQWLGUFTMFBHAX-GFCCVEGCSA-N 1 0 279.380 3.031 20 10 CGCDRO COc1cc(O)c(C[N@H+]([C@@H](C)C2CC2)C2CC2)cc1OC ZINC000159792649 261194305 /nfs/dbraw/zinc/19/43/05/261194305.db2.gz ZOOXLNFFIHNCRO-NSHDSACASA-N 1 0 291.391 3.172 20 10 CGCDRO COc1cc(O)c(C[N@H+](C)C(C2CC2)C2CC2)cc1OC ZINC000160063944 261203435 /nfs/dbraw/zinc/20/34/35/261203435.db2.gz NBGPOWXUQQQITJ-UHFFFAOYSA-N 1 0 291.391 3.030 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccco2)cc1F ZINC000162151281 261271958 /nfs/dbraw/zinc/27/19/58/261271958.db2.gz QZEJPQFUCCHZIS-UHFFFAOYSA-N 1 0 262.328 3.117 20 10 CGCDRO Cc1csc(C(C)(C)[NH2+]Cc2cccc(C)c2O)n1 ZINC000182213794 261929791 /nfs/dbraw/zinc/92/97/91/261929791.db2.gz XKIJTDUAISQCFT-UHFFFAOYSA-N 1 0 276.405 3.490 20 10 CGCDRO CO[C@H](C[NH2+][C@H](C)c1ccccc1O)C(C)(C)C ZINC000183539445 261979455 /nfs/dbraw/zinc/97/94/55/261979455.db2.gz CYRGPGCDRCDXMP-BXUZGUMPSA-N 1 0 251.370 3.104 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1cc(F)ccc1O ZINC000184945385 262035037 /nfs/dbraw/zinc/03/50/37/262035037.db2.gz IHBIGCVJXOIEQL-QLJPJBMISA-N 1 0 293.313 3.055 20 10 CGCDRO COc1ncccc1C[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000184985235 262035471 /nfs/dbraw/zinc/03/54/71/262035471.db2.gz BIKXQEFRVCSKDC-SNVBAGLBSA-N 1 0 292.766 3.300 20 10 CGCDRO Cc1n[nH]cc1CCC[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000184978423 262035790 /nfs/dbraw/zinc/03/57/90/262035790.db2.gz DJWDZWYLIFEXTC-NSHDSACASA-N 1 0 293.798 3.361 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)c2ccccc2F)c1 ZINC000185095529 262041268 /nfs/dbraw/zinc/04/12/68/262041268.db2.gz SIPRUWMICNMUQS-PXAZEXFGSA-N 1 0 289.350 3.224 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(CO)c(F)c2)c(O)c1 ZINC000185121822 262043151 /nfs/dbraw/zinc/04/31/51/262043151.db2.gz KIIOXNDCQLJXHF-LBPRGKRZSA-N 1 0 289.350 3.183 20 10 CGCDRO C[C@@H]([NH2+][C@H](CCO)C(C)(C)C)c1cc(Cl)ccc1O ZINC000185190855 262045064 /nfs/dbraw/zinc/04/50/64/262045064.db2.gz YQNXEEDYQKIODF-QMTHXVAHSA-N 1 0 285.815 3.493 20 10 CGCDRO Cc1nccn1C[C@H](C)C[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000185346350 262051824 /nfs/dbraw/zinc/05/18/24/262051824.db2.gz CLSVSZDIUZRECC-KGLIPLIRSA-N 1 0 287.407 3.192 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1O)c1cc2c(cc1O)CCCC2 ZINC000185445061 262054462 /nfs/dbraw/zinc/05/44/62/262054462.db2.gz MYPKNVGCORWESO-VUCTXSBTSA-N 1 0 289.419 3.225 20 10 CGCDRO CN(C)c1ccc(C[NH2+]Cc2cc(O)cc(F)c2)cc1F ZINC000185499531 262057224 /nfs/dbraw/zinc/05/72/24/262057224.db2.gz VJHUSFREWNJWGA-UHFFFAOYSA-N 1 0 292.329 3.026 20 10 CGCDRO CO[C@H](C[NH2+][C@@H](C)c1cc(F)ccc1O)C(C)(C)C ZINC000185618049 262062896 /nfs/dbraw/zinc/06/28/96/262062896.db2.gz PCZLSCFWZFFQTR-IINYFYTJSA-N 1 0 269.360 3.243 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCCNc2ccccn2)c(O)c1 ZINC000185659804 262064795 /nfs/dbraw/zinc/06/47/95/262064795.db2.gz MZPMETGAMYFMHI-CQSZACIVSA-N 1 0 285.391 3.248 20 10 CGCDRO CCOCCC1(C[NH2+][C@H](C)c2cc(OC)ccc2O)CC1 ZINC000186155348 262081884 /nfs/dbraw/zinc/08/18/84/262081884.db2.gz ZJSGSVASIFFNSK-CYBMUJFWSA-N 1 0 293.407 3.258 20 10 CGCDRO COC[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)C1CC1 ZINC000186153390 262082080 /nfs/dbraw/zinc/08/20/80/262082080.db2.gz UZNHGQPEQKZDOV-TVQRCGJNSA-N 1 0 269.772 3.121 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(C)(C)[C@@H](O)C(C)C)c1 ZINC000186174743 262082495 /nfs/dbraw/zinc/08/24/95/262082495.db2.gz JYJDRRHWFYYIJS-WBMJQRKESA-N 1 0 295.423 3.095 20 10 CGCDRO C/C=C/C[C@@H](CO)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000186503342 262095500 /nfs/dbraw/zinc/09/55/00/262095500.db2.gz WJSOBSMVQJIYOP-GJZCMGGKSA-N 1 0 289.419 3.249 20 10 CGCDRO C/C=C/C[C@@H](CO)[NH2+][C@@H](C)c1ccc(N(C)CC)cc1 ZINC000186511108 262096593 /nfs/dbraw/zinc/09/65/93/262096593.db2.gz PXRSGFRUMLVTDI-YOFOWSBGSA-N 1 0 276.424 3.120 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CC[C@@H]2CCCCO2)c1 ZINC000186515195 262315771 /nfs/dbraw/zinc/31/57/71/262315771.db2.gz NBSTYAGMBKKOHE-KBPBESRZSA-N 1 0 263.381 3.310 20 10 CGCDRO Oc1ccc(Cl)cc1CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000023373868 262357418 /nfs/dbraw/zinc/35/74/18/262357418.db2.gz BGVKMYMOJNUZBV-HNNXBMFYSA-N 1 0 294.826 3.106 20 10 CGCDRO Cc1ccnc(OC2CC[NH+](Cc3ccccc3O)CC2)c1 ZINC000272835346 263009191 /nfs/dbraw/zinc/00/91/91/263009191.db2.gz GEGXDZIWWXRHAK-UHFFFAOYSA-N 1 0 298.386 3.139 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)cc1 ZINC000270671055 276802554 /nfs/dbraw/zinc/80/25/54/276802554.db2.gz QKPNEBRWVDADNC-DOTOQJQBSA-N 1 0 290.451 3.436 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1ccc(N(C)C)cc1 ZINC000271511779 278383773 /nfs/dbraw/zinc/38/37/73/278383773.db2.gz NWNDCUZTYIPFEA-WBMJQRKESA-N 1 0 284.407 3.204 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C[C@@H]1CCCOC1 ZINC000038044174 280920828 /nfs/dbraw/zinc/92/08/28/280920828.db2.gz INSUKWMSFMMYCH-HZSPNIEDSA-N 1 0 275.392 3.265 20 10 CGCDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2O)C12CCC2 ZINC000183530826 327820260 /nfs/dbraw/zinc/82/02/60/327820260.db2.gz AZCSLHLJEZOWMU-VBNZEHGJSA-N 1 0 275.392 3.391 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000268983047 328188171 /nfs/dbraw/zinc/18/81/71/328188171.db2.gz RUJAEULKIRLANF-NSHDSACASA-N 1 0 281.783 3.237 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]CC2(O)CCCCC2)c(O)c1 ZINC000293910876 328546016 /nfs/dbraw/zinc/54/60/16/328546016.db2.gz WVZJQEAZRSCOGW-AWEZNQCLSA-N 1 0 277.408 3.355 20 10 CGCDRO CCOc1cccc(C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)c1O ZINC000403391455 327331491 /nfs/dbraw/zinc/33/14/91/327331491.db2.gz QIUKSEXQOARGOC-NFAWXSAZSA-N 1 0 275.392 3.317 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1ccccc1O ZINC000155990526 327603575 /nfs/dbraw/zinc/60/35/75/327603575.db2.gz RYNOKULOAIBPEQ-UGQVUOCMSA-N 1 0 275.392 3.246 20 10 CGCDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000377835660 329030896 /nfs/dbraw/zinc/03/08/96/329030896.db2.gz VPWSUHOYQXICLE-ZIAGYGMSSA-N 1 0 293.382 3.170 20 10 CGCDRO CO[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)CC1 ZINC000378631402 329057114 /nfs/dbraw/zinc/05/71/14/329057114.db2.gz GYYMLDIINPQRDU-ZDUSSCGKSA-N 1 0 269.772 3.047 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC2(SC)CCC2)c1 ZINC000193812658 329063182 /nfs/dbraw/zinc/06/31/82/329063182.db2.gz OXHWTQXGIVMKGF-NSHDSACASA-N 1 0 281.421 3.337 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)c1O ZINC000180316694 329219609 /nfs/dbraw/zinc/21/96/09/329219609.db2.gz CNTHNFPJOGWXFA-IUODEOHRSA-N 1 0 295.810 3.355 20 10 CGCDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccccc2O)C12CCC2 ZINC000248383695 329890844 /nfs/dbraw/zinc/89/08/44/329890844.db2.gz AZCSLHLJEZOWMU-UHOFOFEASA-N 1 0 275.392 3.391 20 10 CGCDRO CC[C@H](NCc1c(C)c2ccccc2n1C)[C@@H]1CCC[NH2+]1 ZINC000423089570 330169270 /nfs/dbraw/zinc/16/92/70/330169270.db2.gz VLJGMGMOXKQLBL-HOTGVXAUSA-N 1 0 285.435 3.107 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc3cn(C)nc3c2)c(O)c1 ZINC000527961664 330300681 /nfs/dbraw/zinc/30/06/81/330300681.db2.gz JHGLATPSBXEVJX-CYBMUJFWSA-N 1 0 295.386 3.438 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccc3cn(C)nc3c2)c1 ZINC000527964781 330301052 /nfs/dbraw/zinc/30/10/52/330301052.db2.gz ROSBHFQHJIVFRL-ZDUSSCGKSA-N 1 0 295.386 3.438 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCc2cccc(O)c21)c1ncccc1F ZINC000528038208 330303270 /nfs/dbraw/zinc/30/32/70/330303270.db2.gz RGXLXYWYGQLSKS-GWCFXTLKSA-N 1 0 272.323 3.264 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2C[C@]2(C)OC(C)C)c1 ZINC000528009683 330303918 /nfs/dbraw/zinc/30/39/18/330303918.db2.gz WSUZWLFTCDLOEO-MAZHCROVSA-N 1 0 263.381 3.307 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCC(F)(F)F)c1 ZINC000148653153 330567440 /nfs/dbraw/zinc/56/74/40/330567440.db2.gz DCAYKSFMTIOQGI-SECBINFHSA-N 1 0 277.286 3.394 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)C1CC(F)(F)C1 ZINC000529537196 333494776 /nfs/dbraw/zinc/49/47/76/333494776.db2.gz CFGOELLKBKWYFI-JTQLQIEISA-N 1 0 267.319 3.145 20 10 CGCDRO CCO[C@@]1(C)C[C@H]1[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000529651841 333503980 /nfs/dbraw/zinc/50/39/80/333503980.db2.gz LZWXSHFYNFWOBD-OCCSQVGLSA-N 1 0 269.772 3.011 20 10 CGCDRO COc1ccc([C@H]([NH2+]Cc2cccc(C)c2O)C2CC2)cn1 ZINC000529686865 333505811 /nfs/dbraw/zinc/50/58/11/333505811.db2.gz CCQWDGHOHLUBDU-QGZVFWFLSA-N 1 0 298.386 3.345 20 10 CGCDRO Cc1nnc([C@H](C)[NH2+][C@H](C)c2ccc(C)cc2O)s1 ZINC000274123250 334776104 /nfs/dbraw/zinc/77/61/04/334776104.db2.gz AUEXTJBDHWPSKA-ZJUUUORDSA-N 1 0 277.393 3.272 20 10 CGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000355112060 335766959 /nfs/dbraw/zinc/76/69/59/335766959.db2.gz DSPHXAOYYVPNAV-GJZGRUSLSA-N 1 0 286.419 3.391 20 10 CGCDRO CCCC[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000151039420 520690817 /nfs/dbraw/zinc/69/08/17/520690817.db2.gz OPKTYFNSADFBGZ-UHFFFAOYSA-N 1 0 262.397 3.054 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](CSC)C2)c1 ZINC000292874165 521142457 /nfs/dbraw/zinc/14/24/57/521142457.db2.gz WTTXNKMUDSLSNP-ZDUSSCGKSA-N 1 0 295.448 3.366 20 10 CGCDRO CCOc1cccc(C[NH2+]Cc2ccc(C)s2)c1O ZINC000050225156 521367340 /nfs/dbraw/zinc/36/73/40/521367340.db2.gz AEXJGWBONBWLSU-UHFFFAOYSA-N 1 0 277.389 3.451 20 10 CGCDRO CO[C@]1(C)CCC[N@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000279727118 521750492 /nfs/dbraw/zinc/75/04/92/521750492.db2.gz VJHVIJWDGLYCHC-MRXNPFEDSA-N 1 0 263.381 3.010 20 10 CGCDRO CC[C@H]([NH2+]CC[C@H](C)OC)c1ccc(N(C)C)cc1 ZINC000268808943 522600411 /nfs/dbraw/zinc/60/04/11/522600411.db2.gz CRGABDYQFNJHPJ-BBRMVZONSA-N 1 0 264.413 3.218 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)c1nnc(C(C)C)[nH]1)c1ccccc1O ZINC000274812123 522702432 /nfs/dbraw/zinc/70/24/32/522702432.db2.gz YDKTZHRUKFXXEW-AAEUAGOBSA-N 1 0 288.395 3.436 20 10 CGCDRO CC[C@H]([NH2+][C@H](CCO)C(C)C)c1ccc(N(C)C)cc1 ZINC000123629787 522745670 /nfs/dbraw/zinc/74/56/70/522745670.db2.gz RYKAQVYSZJDZQJ-DLBZAZTESA-N 1 0 278.440 3.200 20 10 CGCDRO C[N@H+](CCCn1ccnc1)Cc1c(O)ccc2ccccc21 ZINC000130596398 522805442 /nfs/dbraw/zinc/80/54/42/522805442.db2.gz AOWKYPGOFXVJIC-UHFFFAOYSA-N 1 0 295.386 3.264 20 10 CGCDRO CC[C@@H]([NH2+]CCc1ccc(O)cc1)c1ccccc1O ZINC000040735125 522841322 /nfs/dbraw/zinc/84/13/22/522841322.db2.gz YRBLRMNFGMXQDT-MRXNPFEDSA-N 1 0 271.360 3.381 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cc(C)no1)c1ccc(C)cc1O ZINC000279975762 522868344 /nfs/dbraw/zinc/86/83/44/522868344.db2.gz DGWDLGDTHPKKTO-CQSZACIVSA-N 1 0 260.337 3.238 20 10 CGCDRO CC[C@@H]([NH2+]Cc1c(C)nn(C)c1C)c1ccc(C)cc1O ZINC000280265604 522869208 /nfs/dbraw/zinc/86/92/08/522869208.db2.gz XMCLHMMTUTZWTQ-MRXNPFEDSA-N 1 0 287.407 3.292 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cccc(O)c1)c1ccccc1O ZINC000155555862 522880375 /nfs/dbraw/zinc/88/03/75/522880375.db2.gz BINKHBRKPCRCDC-OAHLLOKOSA-N 1 0 257.333 3.339 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccnc(OC)c1)c1ccccc1O ZINC000062057793 522885873 /nfs/dbraw/zinc/88/58/73/522885873.db2.gz MBDAOSPVVWIPIS-CQSZACIVSA-N 1 0 272.348 3.037 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](CO)Cc1ccccc1)c1ccccc1O ZINC000063218196 522921256 /nfs/dbraw/zinc/92/12/56/522921256.db2.gz USERLRLQKMLPBQ-NVXWUHKLSA-N 1 0 285.387 3.037 20 10 CGCDRO COC(=O)[C@H]1CC[C@@H]([NH2+][C@H](C)c2ccc(C)c(C)c2O)C1 ZINC000278912242 523966629 /nfs/dbraw/zinc/96/66/29/523966629.db2.gz VVPMWDVWJOCPMT-HZSPNIEDSA-N 1 0 291.391 3.001 20 10 CGCDRO Cc1cc(C[NH2+]Cc2ccc(N(C)C)cc2)cs1 ZINC000292547184 524760915 /nfs/dbraw/zinc/76/09/15/524760915.db2.gz APJXISUVKCYHTJ-UHFFFAOYSA-N 1 0 260.406 3.412 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccccc2OC)c1 ZINC000019903233 524772964 /nfs/dbraw/zinc/77/29/64/524772964.db2.gz JALDFURUPMBOKU-LBPRGKRZSA-N 1 0 287.359 3.260 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CCOC[C@@H]2C)c1O ZINC000289842850 524867727 /nfs/dbraw/zinc/86/77/27/524867727.db2.gz URECFNRBELWDKR-RYUDHWBXSA-N 1 0 283.799 3.116 20 10 CGCDRO C[C@H]([NH2+]C1CC(F)(F)C1)c1ccc(N(C)C)cc1 ZINC000277172222 525288932 /nfs/dbraw/zinc/28/89/32/525288932.db2.gz SAJVKEQCIUNRMV-JTQLQIEISA-N 1 0 254.324 3.201 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCSC(C)C)cc1C ZINC000290130440 525323725 /nfs/dbraw/zinc/32/37/25/525323725.db2.gz MWQBOYOURAIHOI-UHFFFAOYSA-N 1 0 253.411 3.240 20 10 CGCDRO Cc1ccc(O)c(C[N@H+](Cc2cccnc2)C2CC2)c1 ZINC000290549051 525338604 /nfs/dbraw/zinc/33/86/04/525338604.db2.gz RTASUFGLDNYUIN-UHFFFAOYSA-N 1 0 268.360 3.260 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCc3ccccc32)c1 ZINC000071406479 525352120 /nfs/dbraw/zinc/35/21/20/525352120.db2.gz IIGOIILGCBJERX-MRXNPFEDSA-N 1 0 253.345 3.478 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)c2cccc(O)c2)c1 ZINC000071407934 525353105 /nfs/dbraw/zinc/35/31/05/525353105.db2.gz CTDQBORCEYNWBN-LBPRGKRZSA-N 1 0 257.333 3.257 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1CCC(F)(F)C1)c1ccccc1O ZINC000280879317 525385751 /nfs/dbraw/zinc/38/57/51/525385751.db2.gz COCZHJFVSNASGH-WDEREUQCSA-N 1 0 255.308 3.478 20 10 CGCDRO C[C@H]([NH2+]Cc1ccccc1O)[C@@H]1OCCc2sccc21 ZINC000291656149 525462280 /nfs/dbraw/zinc/46/22/80/525462280.db2.gz DLHUZVLERIORJE-ZBEGNZNMSA-N 1 0 289.400 3.246 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc3c2OCO3)c(O)c1 ZINC000040667085 525927090 /nfs/dbraw/zinc/92/70/90/525927090.db2.gz AORQKMXWCYOVPI-LBPRGKRZSA-N 1 0 285.343 3.280 20 10 CGCDRO Cc1csc(C[NH2+][C@@H](C)c2cc(F)ccc2O)n1 ZINC000094617787 526359002 /nfs/dbraw/zinc/35/90/02/526359002.db2.gz PGOJVRFWJPFQBR-VIFPVBQESA-N 1 0 266.341 3.147 20 10 CGCDRO c1cnc2cc(C[NH2+]Cc3ccc4c(c3)CCO4)ccc2c1 ZINC000727470740 571749029 /nfs/dbraw/zinc/74/90/29/571749029.db2.gz KNKNVYXLCIJRJU-UHFFFAOYSA-N 1 0 290.366 3.460 20 10 CGCDRO CCOc1cc(C[NH2+]Cc2ccc3c(c2)CCO3)ccc1O ZINC000729685983 571929379 /nfs/dbraw/zinc/92/93/79/571929379.db2.gz YUDHPIPDOMRCCQ-UHFFFAOYSA-N 1 0 299.370 3.016 20 10 CGCDRO Oc1ccccc1C[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000729685484 571929613 /nfs/dbraw/zinc/92/96/13/571929613.db2.gz CRHFKMCINHBPQS-UHFFFAOYSA-N 1 0 257.308 3.310 20 10 CGCDRO Oc1ccc2ccncc2c1C[NH+]1Cc2ccccc2C1 ZINC000729984277 571939590 /nfs/dbraw/zinc/93/95/90/571939590.db2.gz NECNYUXYKGSDTI-UHFFFAOYSA-N 1 0 276.339 3.456 20 10 CGCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)CC1CCOCC1 ZINC000733029705 572501154 /nfs/dbraw/zinc/50/11/54/572501154.db2.gz KSVVNUXIBIGISR-UHFFFAOYSA-N 1 0 290.451 3.390 20 10 CGCDRO COc1cccc(O)c1C[NH2+]C[C@H](C)C(C)(C)C ZINC000734510825 572661709 /nfs/dbraw/zinc/66/17/09/572661709.db2.gz UBZILPOVACWVDD-NSHDSACASA-N 1 0 251.370 3.173 20 10 CGCDRO CC[C@H](C[C@H](C)CO)[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC000743499962 572666545 /nfs/dbraw/zinc/66/65/45/572666545.db2.gz RIOPLRPOFQTKHK-DOTOQJQBSA-N 1 0 292.467 3.420 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@H](CC)C2CCOCC2)c1 ZINC000746054125 572849722 /nfs/dbraw/zinc/84/97/22/572849722.db2.gz NJXAZLMJKHIYTB-MRXNPFEDSA-N 1 0 293.407 3.086 20 10 CGCDRO C[C@H](Cc1ccncc1)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000749293724 572991694 /nfs/dbraw/zinc/99/16/94/572991694.db2.gz DZNVKCPHPONFHH-CYBMUJFWSA-N 1 0 287.382 3.008 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](CC(C)C)C2)cc1OC ZINC000160329278 617968678 /nfs/dbraw/zinc/96/86/78/617968678.db2.gz OZFSPOFGJRGFBF-CYBMUJFWSA-N 1 0 293.407 3.277 20 10 CGCDRO CCC1(C[NH2+]Cc2ccc(N3CCOCC3)cc2)CCC1 ZINC000084056657 618018749 /nfs/dbraw/zinc/01/87/49/618018749.db2.gz QJLYAWPZBVLHEH-UHFFFAOYSA-N 1 0 288.435 3.193 20 10 CGCDRO Cc1ccc(O)c(C[NH+]2CCC(C(F)F)CC2)c1 ZINC000307882199 618108431 /nfs/dbraw/zinc/10/84/31/618108431.db2.gz SDPYROXHXSWBPQ-UHFFFAOYSA-N 1 0 255.308 3.178 20 10 CGCDRO CCCCOCC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000040506856 618200739 /nfs/dbraw/zinc/20/07/39/618200739.db2.gz SZBRZSFXQCOUEB-CQSZACIVSA-N 1 0 264.413 3.220 20 10 CGCDRO COc1ccc(C[N@H+]([C@H](C)C(C)C)C2CC2)c(O)c1OC ZINC000891438894 618205525 /nfs/dbraw/zinc/20/55/25/618205525.db2.gz VSAOFBFFLLBTDD-GFCCVEGCSA-N 1 0 293.407 3.418 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCOC(C)(C)C)c1 ZINC000308739159 618384683 /nfs/dbraw/zinc/38/46/83/618384683.db2.gz NMKWOPIEPCZEGP-GFCCVEGCSA-N 1 0 251.370 3.166 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(C)n2)c(O)c1 ZINC000051574670 618610779 /nfs/dbraw/zinc/61/07/79/618610779.db2.gz ZOKWKHYFIFGJMB-CYBMUJFWSA-N 1 0 256.349 3.255 20 10 CGCDRO CCC[C@@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000179325978 618776030 /nfs/dbraw/zinc/77/60/30/618776030.db2.gz YLFJSWHXEWHRCT-OAHLLOKOSA-N 1 0 276.424 3.144 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cccnc2N(C)C)c1 ZINC000185015430 625292407 /nfs/dbraw/zinc/29/24/07/625292407.db2.gz CNIMYYXROILHPM-CYBMUJFWSA-N 1 0 285.391 3.012 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)[C@H]2CC2(F)F)c1 ZINC000840879967 618811353 /nfs/dbraw/zinc/81/13/53/618811353.db2.gz VDCXBUQRLMRXJH-HOTUBEGUSA-N 1 0 271.307 3.095 20 10 CGCDRO CC[C@H](C)[C@](C)(O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000163807108 618890844 /nfs/dbraw/zinc/89/08/44/618890844.db2.gz ZJXXFELULMWHMZ-GRDNDAEWSA-N 1 0 278.440 3.200 20 10 CGCDRO CSCC[C@@H](C)[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000168787622 618914117 /nfs/dbraw/zinc/91/41/17/618914117.db2.gz AJGDDZRMTUMAIP-NEPJUHHUSA-N 1 0 253.411 3.493 20 10 CGCDRO Cc1cc(F)ncc1C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000892738216 618928944 /nfs/dbraw/zinc/92/89/44/618928944.db2.gz SZTGAFDOOCRXPI-UHFFFAOYSA-N 1 0 291.345 3.024 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCC[C@H](CO)C1)c1cc(Cl)ccc1O ZINC000840895571 618961618 /nfs/dbraw/zinc/96/16/18/618961618.db2.gz NVEVFTNEYMYYGC-GMXVVIOVSA-N 1 0 283.799 3.247 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CCCC[C@@H]2C(C)C)cc1OC ZINC000180276723 619014236 /nfs/dbraw/zinc/01/42/36/619014236.db2.gz ABPSVBAUYWTMLA-CQSZACIVSA-N 1 0 293.407 3.420 20 10 CGCDRO CSC[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1O)CCC2 ZINC000178341369 619018604 /nfs/dbraw/zinc/01/86/04/619018604.db2.gz ARAWGWMWDBZFLT-HNNXBMFYSA-N 1 0 277.433 3.208 20 10 CGCDRO CC(C)Cn1ccnc1C[NH2+][C@H](C)c1ccccc1O ZINC000183529891 619044597 /nfs/dbraw/zinc/04/45/97/619044597.db2.gz MQYDRCYEADROSV-CYBMUJFWSA-N 1 0 273.380 3.096 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC(C)(C)O2)c(O)c1 ZINC000187868007 619080847 /nfs/dbraw/zinc/08/08/47/619080847.db2.gz FJGVFJFSHNUNKX-QWHCGFSZSA-N 1 0 263.381 3.309 20 10 CGCDRO CC(C)(C)[C@H](Cn1ccnc1)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000319207733 619101152 /nfs/dbraw/zinc/10/11/52/619101152.db2.gz FZHOZYXARZEUHQ-ZBFHGGJFSA-N 1 0 299.418 3.281 20 10 CGCDRO CCOc1cccc(C[NH2+][C@H]2CC3CCC2CC3)c1O ZINC000312812751 619151532 /nfs/dbraw/zinc/15/15/32/619151532.db2.gz LSPLZVLDEONVIF-PIMMBPRGSA-N 1 0 275.392 3.459 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](CCCCO)C2CC2)cc1 ZINC000093383341 619191295 /nfs/dbraw/zinc/19/12/95/619191295.db2.gz XXQUBGZZWFPQNM-UHFFFAOYSA-N 1 0 290.451 3.270 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2COc3ccccc3C2)c(O)c1 ZINC000185224422 619222601 /nfs/dbraw/zinc/22/26/01/619222601.db2.gz GCZSZPPKHWWZCV-DZGCQCFKSA-N 1 0 283.371 3.355 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1COc2ccccc2C1)c1cc(F)ccc1O ZINC000185224660 619222719 /nfs/dbraw/zinc/22/27/19/619222719.db2.gz IBDBZNIMXSJJDR-RISCZKNCSA-N 1 0 287.334 3.186 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCCc1ccccn1 ZINC000840936264 619227138 /nfs/dbraw/zinc/22/71/38/619227138.db2.gz HUHBIXNLVTYBGK-UHFFFAOYSA-N 1 0 283.419 3.178 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)o1 ZINC000893683324 619278830 /nfs/dbraw/zinc/27/88/30/619278830.db2.gz GWTFXHUDCHAIMU-LBPRGKRZSA-N 1 0 274.364 3.205 20 10 CGCDRO COc1cccc(C[NH2+]CC2CCC(C)CC2)c1O ZINC000060942156 619279812 /nfs/dbraw/zinc/27/98/12/619279812.db2.gz QWHQEPMZYXJUHX-UHFFFAOYSA-N 1 0 263.381 3.317 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C(C)(C)COC)cc1 ZINC000066996057 619284745 /nfs/dbraw/zinc/28/47/45/619284745.db2.gz YWTXJXYGSLPBFB-UHFFFAOYSA-N 1 0 264.413 3.047 20 10 CGCDRO CC[C@@H](C)[C@](C)(O)C[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC000236870661 619306680 /nfs/dbraw/zinc/30/66/80/619306680.db2.gz LIZQUQRAHOYZGC-CRAIPNDOSA-N 1 0 292.467 3.420 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H]1CSC[C@H]1C ZINC000840977601 619309358 /nfs/dbraw/zinc/30/93/58/619309358.db2.gz WMAIDPZEWHMRED-JKIFEVAISA-N 1 0 292.492 3.333 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H]1CSC[C@@H]1C ZINC000840977612 619309381 /nfs/dbraw/zinc/30/93/81/619309381.db2.gz WMAIDPZEWHMRED-ZQIUZPCESA-N 1 0 292.492 3.333 20 10 CGCDRO Cc1cc([C@@H]2CCC[N@@H+]2Cc2cc(F)cc(F)c2[O-])on1 ZINC000893994338 619345422 /nfs/dbraw/zinc/34/54/22/619345422.db2.gz DEGVGDHOWXFXLK-ZDUSSCGKSA-N 1 0 294.301 3.304 20 10 CGCDRO COc1ccc(C[N@H+](C)C2(C)CCCC2)c(O)c1OC ZINC000894105269 619375623 /nfs/dbraw/zinc/37/56/23/619375623.db2.gz NWGYNRBUVRNADL-UHFFFAOYSA-N 1 0 279.380 3.174 20 10 CGCDRO COc1ccc(C[N@H+](C)[C@H]2CCCC[C@@H]2C)c(O)c1OC ZINC000894314598 619487033 /nfs/dbraw/zinc/48/70/33/619487033.db2.gz AFQOHJSUBCPKJJ-JSGCOSHPSA-N 1 0 293.407 3.420 20 10 CGCDRO CCc1cnc(C[NH2+]Cc2cc(C)cc(OC)c2O)s1 ZINC000894315810 619487593 /nfs/dbraw/zinc/48/75/93/619487593.db2.gz NESXUDZDVIZMES-UHFFFAOYSA-N 1 0 292.404 3.018 20 10 CGCDRO O[C@@H](CC[NH2+]Cc1ccc2c(c1)CCCO2)c1ccccc1 ZINC000894468620 619546624 /nfs/dbraw/zinc/54/66/24/619546624.db2.gz YOPCZMILNCOPFX-SFHVURJKSA-N 1 0 297.398 3.225 20 10 CGCDRO COc1cc(C)cc(C[NH2+]Cc2ccc(C)c(C)n2)c1O ZINC000894987722 619692889 /nfs/dbraw/zinc/69/28/89/619692889.db2.gz XJEXRGOMAJRMSX-UHFFFAOYSA-N 1 0 286.375 3.011 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCc3nc[nH]c3C23CCC3)c1O ZINC000895069510 619709512 /nfs/dbraw/zinc/70/95/12/619709512.db2.gz ZNNATLTYPCBTMR-UHFFFAOYSA-N 1 0 297.402 3.115 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](CO)CC(F)(F)F)c1ccc(C)cc1O ZINC000794817131 619775130 /nfs/dbraw/zinc/77/51/30/619775130.db2.gz PJDPILZAEOKJAY-ZYHUDNBSSA-N 1 0 291.313 3.055 20 10 CGCDRO C[C@H]1Cc2cc(C[N@@H+]3Cc4cccc(O)c4C3)ccc2O1 ZINC000895784811 619885349 /nfs/dbraw/zinc/88/53/49/619885349.db2.gz MUHOUXJXRGWEET-LBPRGKRZSA-N 1 0 281.355 3.231 20 10 CGCDRO Cc1cnc(C[NH2+][C@@H](C)c2cc(C)ccc2O)s1 ZINC000185568983 625385746 /nfs/dbraw/zinc/38/57/46/625385746.db2.gz FNWQEXRRWMOTEU-NSHDSACASA-N 1 0 262.378 3.316 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCS[C@H](C(F)(F)F)C1 ZINC000896453950 620009110 /nfs/dbraw/zinc/00/91/10/620009110.db2.gz QXZYDYDQHARTNY-LBPRGKRZSA-N 1 0 291.338 3.180 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]C[C@@]2(C)CCCCO2)c1O ZINC000896924794 620103518 /nfs/dbraw/zinc/10/35/18/620103518.db2.gz OMUFGVIHCROSDW-OAHLLOKOSA-N 1 0 299.798 3.103 20 10 CGCDRO CO[C@H]1CCCC[C@@H]1[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000799351602 620294353 /nfs/dbraw/zinc/29/43/53/620294353.db2.gz CYNVRUNFMKWAIP-AAEUAGOBSA-N 1 0 287.762 3.232 20 10 CGCDRO COc1cccc(C[NH2+][C@H](C)c2ccc3c(c2)CCO3)c1O ZINC000897419643 620298671 /nfs/dbraw/zinc/29/86/71/620298671.db2.gz QFBXOFBTGSXUNE-GFCCVEGCSA-N 1 0 299.370 3.187 20 10 CGCDRO Oc1ccccc1C[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC000753368880 620347513 /nfs/dbraw/zinc/34/75/13/620347513.db2.gz SPMOFQYPHQUIRP-UHFFFAOYSA-N 1 0 297.383 3.201 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H](CCO)C2CCCC2)cc1C ZINC000897885169 620444625 /nfs/dbraw/zinc/44/46/25/620444625.db2.gz DHPJPMKTLGFPQW-MRXNPFEDSA-N 1 0 277.408 3.040 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCS[C@H](C)C1)c1ccccc1O ZINC000927029767 620564681 /nfs/dbraw/zinc/56/46/81/620564681.db2.gz FRUCIEAFCLJALO-GRYCIOLGSA-N 1 0 251.395 3.327 20 10 CGCDRO CCc1cccc(C[N@@H+]2C[C@@H]3CSC[C@]3(C)C2)c1O ZINC000898420610 620585642 /nfs/dbraw/zinc/58/56/42/620585642.db2.gz ZBJXOBXNVZGGJL-ZBFHGGJFSA-N 1 0 277.433 3.140 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCCC[C@H]([C@@H]3CCOC3)C2)c1O ZINC000898515894 620595517 /nfs/dbraw/zinc/59/55/17/620595517.db2.gz HJUWVPAJQNFUPB-DOTOQJQBSA-N 1 0 289.419 3.339 20 10 CGCDRO CCc1onc(C)c1C[NH2+][C@H](C)c1ccc(C)cc1O ZINC000927140597 620600723 /nfs/dbraw/zinc/60/07/23/620600723.db2.gz RBXUITXRIXYVCZ-LLVKDONJSA-N 1 0 274.364 3.410 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]C2CC3(C2)CO[C@H](C)C3)c1O ZINC000903280559 621660377 /nfs/dbraw/zinc/66/03/77/621660377.db2.gz VFBDNIHZTXIWTH-SDQNGVQFSA-N 1 0 291.391 3.009 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](CO)CCc2ccccc2)c1 ZINC000903293929 621662885 /nfs/dbraw/zinc/66/28/85/621662885.db2.gz ZSESAZJOYINWHY-DOTOQJQBSA-N 1 0 299.414 3.345 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CC(C)(C)C[C@H](C)O)c1 ZINC000186075098 625511802 /nfs/dbraw/zinc/51/18/02/625511802.db2.gz KBRQMUNZUJVGCG-STQMWFEESA-N 1 0 265.397 3.148 20 10 CGCDRO CO[C@]1(C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)CCSC1 ZINC000903315456 621685815 /nfs/dbraw/zinc/68/58/15/621685815.db2.gz WFXLUOZGFNYGQN-BBRMVZONSA-N 1 0 295.448 3.182 20 10 CGCDRO CC[C@H]([NH2+][C@H](c1ncccn1)C1CC1)c1ccccc1O ZINC000903326653 621700009 /nfs/dbraw/zinc/70/00/09/621700009.db2.gz MDZJBHOVWPKJCZ-HOCLYGCPSA-N 1 0 283.375 3.374 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](c1ncccn1)C1CC1)c1ccccc1O ZINC000903326651 621700386 /nfs/dbraw/zinc/70/03/86/621700386.db2.gz MDZJBHOVWPKJCZ-GDBMZVCRSA-N 1 0 283.375 3.374 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2CCCC(C)(C)O2)c1O ZINC000903355600 621713384 /nfs/dbraw/zinc/71/33/84/621713384.db2.gz IIRSWVJWXJKKJO-STQMWFEESA-N 1 0 293.407 3.399 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2COC[C@@H]2C2CC2)c(O)c1 ZINC000903434742 621745069 /nfs/dbraw/zinc/74/50/69/621745069.db2.gz ARKIPJYMZCLTRT-NWANDNLSSA-N 1 0 275.392 3.085 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+][C@H]2COC[C@@H]2C2CC2)c2c1c(F)ccc2O ZINC000903434699 621745078 /nfs/dbraw/zinc/74/50/78/621745078.db2.gz AJOBMUOIZBZMJY-RCCPXBDUSA-N 1 0 291.366 3.094 20 10 CGCDRO C[C@H]([NH2+][C@H]1COC[C@@H]1C1CC1)c1cc(Cl)ccc1O ZINC000903435281 621745355 /nfs/dbraw/zinc/74/53/55/621745355.db2.gz CCUFLIDGWQLLIR-FZZIBODNSA-N 1 0 281.783 3.121 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)[C@H](O)Cc2ccccc2)c1 ZINC000186147471 625521948 /nfs/dbraw/zinc/52/19/48/625521948.db2.gz ILDGRANWOOKBHL-QMTMVMCOSA-N 1 0 299.414 3.343 20 10 CGCDRO Nc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000904377028 621916856 /nfs/dbraw/zinc/91/68/56/621916856.db2.gz HUEXEDCJUCNUNZ-GOSISDBHSA-N 1 0 294.398 3.371 20 10 CGCDRO COc1ccc(O)c(CNc2ccc(C(C)(C)[NH3+])cc2)c1 ZINC000904470850 621925842 /nfs/dbraw/zinc/92/58/42/621925842.db2.gz RNLRTEYSZMXUSR-UHFFFAOYSA-N 1 0 286.375 3.207 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@H+]2CCC[C@@H](c3ccn(C)n3)C2)c1 ZINC000905719603 622098667 /nfs/dbraw/zinc/09/86/67/622098667.db2.gz SPAJUHKBDNVVRJ-OAHLLOKOSA-N 1 0 299.418 3.122 20 10 CGCDRO COc1cc(C[N@@H+](C)C2CCC(OC)CC2)c(O)cc1C ZINC000768444351 625539073 /nfs/dbraw/zinc/53/90/73/625539073.db2.gz AFTYOWZTJKMLTI-UHFFFAOYSA-N 1 0 293.407 3.099 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@H](C)CCC2CC2)c1 ZINC000768953353 625554596 /nfs/dbraw/zinc/55/45/96/625554596.db2.gz RMRWQIWFOHONFH-GFCCVEGCSA-N 1 0 263.381 3.459 20 10 CGCDRO C[C@H]([NH2+]CC1(N(C)C)CCCC1)c1ccc(N(C)C)cc1 ZINC000149424809 622304252 /nfs/dbraw/zinc/30/42/52/622304252.db2.gz LLFBIFGOCXYKHT-HNNXBMFYSA-N 1 0 289.467 3.278 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCCS2)c1 ZINC000149706753 622374939 /nfs/dbraw/zinc/37/49/39/622374939.db2.gz JWAFXQIBTSGGEW-NEPJUHHUSA-N 1 0 251.395 3.247 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)C1CC1 ZINC000323783153 622732909 /nfs/dbraw/zinc/73/29/09/622732909.db2.gz BKELPKVKZMATCN-INIZCTEOSA-N 1 0 258.409 3.347 20 10 CGCDRO C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC000164099395 622816064 /nfs/dbraw/zinc/81/60/64/622816064.db2.gz NTPZZYPGMBXWRL-OLZOCXBDSA-N 1 0 271.360 3.155 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CCS[C@H](C(C)C)C2)c1O ZINC000164427268 622834643 /nfs/dbraw/zinc/83/46/43/622834643.db2.gz SBAOCYHRXQAVNB-HNNXBMFYSA-N 1 0 295.448 3.283 20 10 CGCDRO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H](C)[C@@H]2C)c1O ZINC000224711517 622882904 /nfs/dbraw/zinc/88/29/04/622882904.db2.gz BQXUHCCWEFMTAY-QWRGUYRKSA-N 1 0 279.355 3.354 20 10 CGCDRO CCN(Cc1ccccc1)c1ccc(C[N@H+](C)CCO)cc1 ZINC000157726773 622942091 /nfs/dbraw/zinc/94/20/91/622942091.db2.gz QXYFKCFZGVEUBG-UHFFFAOYSA-N 1 0 298.430 3.137 20 10 CGCDRO CCC[C@@](C)(O)C[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC000226251877 622955622 /nfs/dbraw/zinc/95/56/22/622955622.db2.gz SZJVHVLRUZNYOP-QGZVFWFLSA-N 1 0 278.440 3.174 20 10 CGCDRO C[C@@H](C1CC1)[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000158050533 622996110 /nfs/dbraw/zinc/99/61/10/622996110.db2.gz HVYQGYISBJLOLB-NSHDSACASA-N 1 0 250.361 3.122 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H](C)CC2)c(O)c1 ZINC000227309279 623015254 /nfs/dbraw/zinc/01/52/54/623015254.db2.gz IRIULGXAZDNCBT-GXTWGEPZSA-N 1 0 263.381 3.459 20 10 CGCDRO C[C@H](C[C@H](C)O)[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000228072710 623039283 /nfs/dbraw/zinc/03/92/83/623039283.db2.gz HNKJWDRGANAYJP-AGIUHOORSA-N 1 0 273.376 3.355 20 10 CGCDRO C[C@H]1CC[C@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000230407472 623238156 /nfs/dbraw/zinc/23/81/56/623238156.db2.gz GIIRGHPDUJRHIW-RDJZCZTQSA-N 1 0 288.435 3.049 20 10 CGCDRO CCOc1cccc(C[NH2+]C[C@@H]2CCC[C@H]2C)c1O ZINC000230665826 623258311 /nfs/dbraw/zinc/25/83/11/623258311.db2.gz IKIIQDCQUJYNAY-OLZOCXBDSA-N 1 0 263.381 3.317 20 10 CGCDRO COc1ccc(C[NH2+]C[C@H](C)c2nccs2)cc1C ZINC000230694191 623266630 /nfs/dbraw/zinc/26/66/30/623266630.db2.gz AXABDWCZYLPBND-LBPRGKRZSA-N 1 0 276.405 3.353 20 10 CGCDRO C[C@@H]1Cc2ccccc2C[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000172927562 623294802 /nfs/dbraw/zinc/29/48/02/623294802.db2.gz VKFSHZBJERGOJV-GFCCVEGCSA-N 1 0 297.354 3.068 20 10 CGCDRO Cc1csc(CC[NH2+][C@@H](C)c2ccc(C)cc2O)n1 ZINC000063132599 623301595 /nfs/dbraw/zinc/30/15/95/623301595.db2.gz HUKRPOSKPCSRRX-LBPRGKRZSA-N 1 0 276.405 3.359 20 10 CGCDRO CCC(CC)[C@H](C[NH2+]Cc1ccc(OC)c(C)c1)N(C)C ZINC000035258594 623423320 /nfs/dbraw/zinc/42/33/20/623423320.db2.gz CXSJJZFHCCHKCC-KRWDZBQOSA-N 1 0 292.467 3.460 20 10 CGCDRO CCC(O)(CC)CC[NH2+]Cc1cc(Cl)ccc1O ZINC000788076864 625652689 /nfs/dbraw/zinc/65/26/89/625652689.db2.gz HGPGHZQYLNHIKS-UHFFFAOYSA-N 1 0 271.788 3.076 20 10 CGCDRO CCOCC(C)(C)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000311737051 623463159 /nfs/dbraw/zinc/46/31/59/623463159.db2.gz SBTUAAQNMRRWRH-CYBMUJFWSA-N 1 0 263.381 3.032 20 10 CGCDRO CCc1nc(C[NH2+][C@@H](C)c2ccccc2O)cs1 ZINC000179882955 624694644 /nfs/dbraw/zinc/69/46/44/624694644.db2.gz KYIIVVMZSGIKEP-JTQLQIEISA-N 1 0 262.378 3.262 20 10 CGCDRO CCSCC[C@H](C)[N@H+](C)Cc1cc(F)ccc1O ZINC000180250748 624730501 /nfs/dbraw/zinc/73/05/01/624730501.db2.gz ZZOJLXQVFNHAHZ-NSHDSACASA-N 1 0 271.401 3.495 20 10 CGCDRO CS[C@@H]1CCCC[N@H+](Cc2cccc(C)c2O)C1 ZINC000180763298 624771553 /nfs/dbraw/zinc/77/15/53/624771553.db2.gz ATNAWHLRBGGSLB-CQSZACIVSA-N 1 0 265.422 3.418 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H](C)c2nc(C)cs2)c1O ZINC000069168287 624801817 /nfs/dbraw/zinc/80/18/17/624801817.db2.gz BIRAKVBXFQKDNQ-NSHDSACASA-N 1 0 292.404 3.407 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2nc3ccccc3o2)c1 ZINC000182429731 624998856 /nfs/dbraw/zinc/99/88/56/624998856.db2.gz YNXBLVWEYVFDCR-LLVKDONJSA-N 1 0 298.342 3.393 20 10 CGCDRO C[C@@H](C[NH2+][C@@H](C)c1ccccc1O)N1CCc2ccccc21 ZINC000183456111 625075734 /nfs/dbraw/zinc/07/57/34/625075734.db2.gz MZHNXSPPOPICSM-GJZGRUSLSA-N 1 0 296.414 3.494 20 10 CGCDRO CCCCC[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000076274258 625209686 /nfs/dbraw/zinc/20/96/86/625209686.db2.gz PLHJIIWFQNTXNW-UHFFFAOYSA-N 1 0 257.761 3.334 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)c1cc(OC)ccc1O)[C@@H]1CCCO1 ZINC000186181896 625733751 /nfs/dbraw/zinc/73/37/51/625733751.db2.gz WOLBRXOXONBKMM-PJODQICGSA-N 1 0 279.380 3.009 20 10 CGCDRO Cc1nccn1CCCC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921774733 625871710 /nfs/dbraw/zinc/87/17/10/625871710.db2.gz LQSUXSIWFNKMJH-UHFFFAOYSA-N 1 0 299.418 3.087 20 10 CGCDRO C[C@@H]([NH2+]CCOc1ccccc1F)c1cc(F)ccc1O ZINC000756370399 625918725 /nfs/dbraw/zinc/91/87/25/625918725.db2.gz GXSKVTIXHYFCTE-LLVKDONJSA-N 1 0 293.313 3.400 20 10 CGCDRO CCO[C@H]1CCC[C@@H]([NH2+][C@@H](C)c2ccccc2O)C1 ZINC000922329662 625998828 /nfs/dbraw/zinc/99/88/28/625998828.db2.gz PBOLQKYRYIWWDM-MJBXVCDLSA-N 1 0 263.381 3.391 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H](CO)CCc2ccccc2)cc1C ZINC000922549476 626011656 /nfs/dbraw/zinc/01/16/56/626011656.db2.gz UTTMWRWNNWDLLI-GOSISDBHSA-N 1 0 299.414 3.092 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@]23CCC[C@H]2OCC3)cc1C ZINC000922694923 626034185 /nfs/dbraw/zinc/03/41/85/626034185.db2.gz CLEXMILQNXFMGE-IAGOWNOFSA-N 1 0 275.392 3.058 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCS[C@H](C)C2)c1 ZINC000922841066 626055211 /nfs/dbraw/zinc/05/52/11/626055211.db2.gz DWWLCBFZNDOGIF-DGCLKSJQSA-N 1 0 281.421 3.165 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCCc3cccnc32)c1 ZINC000922879298 626062154 /nfs/dbraw/zinc/06/21/54/626062154.db2.gz HIOKBUCHQYMYRM-OAHLLOKOSA-N 1 0 268.360 3.263 20 10 CGCDRO COc1ccc(C[NH2+][C@H](C2CC2)[C@H]2CCCOC2)cc1C ZINC000922891326 626070838 /nfs/dbraw/zinc/07/08/38/626070838.db2.gz HWRNIFAYMLRWDG-FUHWJXTLSA-N 1 0 289.419 3.298 20 10 CGCDRO c1cc2c(cc1C[NH2+]C1([C@@H]3CCCCO3)CC1)CCCO2 ZINC000923025460 626121091 /nfs/dbraw/zinc/12/10/91/626121091.db2.gz RNVNCEAAUCWEGA-KRWDZBQOSA-N 1 0 287.403 3.203 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CC2(O)CCCCC2)c(O)c1 ZINC000087017630 626158483 /nfs/dbraw/zinc/15/84/83/626158483.db2.gz OVZVJTIDRNKELT-CYBMUJFWSA-N 1 0 263.381 3.046 20 10 CGCDRO COc1ccc(O)c(C[NH+]2CC(C)(CC(F)(F)F)C2)c1 ZINC000839146041 626317209 /nfs/dbraw/zinc/31/72/09/626317209.db2.gz VSGSYFVJSIUMPM-UHFFFAOYSA-N 1 0 289.297 3.175 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+][C@H]2C[C@@H](OC(C)C)C2)c1O ZINC000839148291 626317518 /nfs/dbraw/zinc/31/75/18/626317518.db2.gz XQKBNRMTURMIBD-OKILXGFUSA-N 1 0 283.799 3.400 20 10 CGCDRO CCOc1ccc(O)c(C[NH+]2CC(C3CCCC3)C2)c1 ZINC000839143384 626323442 /nfs/dbraw/zinc/32/34/42/626323442.db2.gz PFVXTHPBPYEMJI-UHFFFAOYSA-N 1 0 275.392 3.413 20 10 CGCDRO CC[C@@H]1OCC[C@H]1[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000840820737 626338780 /nfs/dbraw/zinc/33/87/80/626338780.db2.gz KLTDPIOLGNCJER-RSXIPKFTSA-N 1 0 279.355 3.237 20 10 CGCDRO CO[C@@H]1CC[N@H+](Cc2cc(C(C)C)c(C)cc2O)C1 ZINC000751940872 626411981 /nfs/dbraw/zinc/41/19/81/626411981.db2.gz OEJLATPTLYQJQT-CQSZACIVSA-N 1 0 263.381 3.045 20 10 CGCDRO COCC[C@@H](Cc1ccco1)[NH2+]Cc1cccc(C)c1O ZINC000753571599 626455788 /nfs/dbraw/zinc/45/57/88/626455788.db2.gz XQWHAQNYBIYLJZ-HNNXBMFYSA-N 1 0 289.375 3.031 20 10 CGCDRO CC[N@H+](CCC(F)(F)F)Cc1cc(C)cc(OC)c1O ZINC000754730706 626585060 /nfs/dbraw/zinc/58/50/60/626585060.db2.gz WRVOQIMLZUACRP-UHFFFAOYSA-N 1 0 291.313 3.484 20 10 CGCDRO CC1=CC[N@H+](Cc2c(O)ccc3ccncc32)CC1 ZINC000755770559 626644936 /nfs/dbraw/zinc/64/49/36/626644936.db2.gz KVNYKOJJFSPOSU-UHFFFAOYSA-N 1 0 254.333 3.092 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)CC(C)C)c(O)c1C ZINC000756498383 626710101 /nfs/dbraw/zinc/71/01/01/626710101.db2.gz VLDLIPDTNIOOBE-KGLIPLIRSA-N 1 0 265.397 3.067 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000756516126 626711201 /nfs/dbraw/zinc/71/12/01/626711201.db2.gz PWRRATQAVFVMQX-LBPRGKRZSA-N 1 0 299.370 3.187 20 10 CGCDRO CCN(CC[NH2+][C@H](C)c1ccc(C)cc1O)C(C)C ZINC000756526928 626712405 /nfs/dbraw/zinc/71/24/05/626712405.db2.gz UPJHBHDNTTUBJR-CQSZACIVSA-N 1 0 264.413 3.082 20 10 CGCDRO CCC[C@](C)(O)C[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756574906 626717095 /nfs/dbraw/zinc/71/70/95/626717095.db2.gz HGZVFXGZNMPALY-PKWAYOAASA-N 1 0 281.371 3.220 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[C@@H]2O)c2c1c(F)ccc2O ZINC000756602218 626719797 /nfs/dbraw/zinc/71/97/97/626719797.db2.gz DIEBDEQTNMTUSZ-RFHZTLPTSA-N 1 0 293.382 3.220 20 10 CGCDRO CCc1cc(C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)on1 ZINC000756604034 626719831 /nfs/dbraw/zinc/71/98/31/626719831.db2.gz CPUFTIAWMSXJMU-TVQRCGJNSA-N 1 0 290.338 3.420 20 10 CGCDRO C[C@H](O)C[C@H](C)C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756606194 626720017 /nfs/dbraw/zinc/72/00/17/626720017.db2.gz WMLCRTVAHVDULL-NOHGZBONSA-N 1 0 281.371 3.076 20 10 CGCDRO CC(C)[C@H](CCO)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000756609976 626720778 /nfs/dbraw/zinc/72/07/78/626720778.db2.gz PAJGCUCBPKFLDW-GUYCJALGSA-N 1 0 291.435 3.329 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]CCN2CCC[C@@H]2C)c2c1c(F)ccc2O ZINC000756616045 626720807 /nfs/dbraw/zinc/72/08/07/626720807.db2.gz HDIWPSSHMBWGFE-DYEKYZERSA-N 1 0 292.398 3.154 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)C1CCOCC1 ZINC000756627368 626721187 /nfs/dbraw/zinc/72/11/87/626721187.db2.gz HPMPOTCCWQZOET-XHDPSFHLSA-N 1 0 281.371 3.387 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]Cc2csc(N(C)C)n2)c(O)c1 ZINC000756636540 626722450 /nfs/dbraw/zinc/72/24/50/626722450.db2.gz KFKKPPKSUKBECN-NSHDSACASA-N 1 0 291.420 3.074 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C2CCOCC2)c(O)c1C ZINC000756652752 626724890 /nfs/dbraw/zinc/72/48/90/626724890.db2.gz ACIQMRCJILHIER-ZIAGYGMSSA-N 1 0 277.408 3.475 20 10 CGCDRO C[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)C1CCOCC1 ZINC000756656374 626725418 /nfs/dbraw/zinc/72/54/18/626725418.db2.gz WQHSSSVVCJGJAE-SUNKGSAMSA-N 1 0 293.382 3.484 20 10 CGCDRO CCn1cc(C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)cn1 ZINC000756732712 626728033 /nfs/dbraw/zinc/72/80/33/626728033.db2.gz JWMXXZZMXCPZAA-ZWNOBZJWSA-N 1 0 289.354 3.086 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCC[C@H](OC)C2)c1 ZINC000756759068 626729712 /nfs/dbraw/zinc/72/97/12/626729712.db2.gz IJOPIWAOZFADIB-AVGNSLFASA-N 1 0 279.380 3.009 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](CO)CC(C)(C)C)c(O)c1C ZINC000756763019 626730166 /nfs/dbraw/zinc/73/01/66/626730166.db2.gz WREMIHAIVPWKEJ-ZIAGYGMSSA-N 1 0 279.424 3.457 20 10 CGCDRO C[C@H]([NH2+]CCOC1CCC1)c1cc2c(cc1O)CCCC2 ZINC000756839397 626736004 /nfs/dbraw/zinc/73/60/04/626736004.db2.gz RDYOWLCSCCOMSZ-ZDUSSCGKSA-N 1 0 289.419 3.491 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2cncc(F)c2)c1 ZINC000757641291 626796940 /nfs/dbraw/zinc/79/69/40/626796940.db2.gz ZPBOHMJRRZRQPI-WDEREUQCSA-N 1 0 290.338 3.347 20 10 CGCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@H](C3CC3)C2)c1O ZINC000761203733 627025018 /nfs/dbraw/zinc/02/50/18/627025018.db2.gz MAAINHQGYLMRPT-NSHDSACASA-N 1 0 281.783 3.286 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)CC2(O)CCC2)cc1F ZINC000761220791 627025979 /nfs/dbraw/zinc/02/59/79/627025979.db2.gz YBKLJIQFTWVLJR-UHFFFAOYSA-N 1 0 294.414 3.019 20 10 CGCDRO CC[C@H]([NH2+]CCC1CC(O)C1)c1cc(Cl)ccc1O ZINC000762646654 627119191 /nfs/dbraw/zinc/11/91/91/627119191.db2.gz ASJDXFDDKWXBCW-OVGLSYRBSA-N 1 0 283.799 3.247 20 10 CGCDRO C[C@@H](CC1CCC1)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000765280802 627244894 /nfs/dbraw/zinc/24/48/94/627244894.db2.gz BQYRMEVNDHAPIE-HNNXBMFYSA-N 1 0 288.435 3.192 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCOCC2CC2)cc1 ZINC000765867316 627275970 /nfs/dbraw/zinc/27/59/70/627275970.db2.gz MMVLFYUUUVCYQQ-CQSZACIVSA-N 1 0 276.424 3.220 20 10 CGCDRO COC[C@H](CC(C)C)[NH2+]CCCSc1nccs1 ZINC000766074664 627292887 /nfs/dbraw/zinc/29/28/87/627292887.db2.gz YZSCTXCFEOJPAS-LBPRGKRZSA-N 1 0 288.482 3.276 20 10 CGCDRO COc1cccc(O)c1C[NH2+][C@@H]1C[C@H](OC(C)C)C1(C)C ZINC000766088516 627293601 /nfs/dbraw/zinc/29/36/01/627293601.db2.gz KIXPMKGVRKCEHP-CVEARBPZSA-N 1 0 293.407 3.083 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCc2ccncc2)cc1 ZINC000766600832 627346920 /nfs/dbraw/zinc/34/69/20/627346920.db2.gz GXOQOOYBOOTESO-HNNXBMFYSA-N 1 0 283.419 3.431 20 10 CGCDRO C[C@]1(C[NH2+]Cc2c(O)cccc2Cl)CCO[C@@H]1C1CC1 ZINC000767195511 627389318 /nfs/dbraw/zinc/38/93/18/627389318.db2.gz JTOTWULZBPQVKB-HZPDHXFCSA-N 1 0 295.810 3.340 20 10 CGCDRO CC1CC[NH+](Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000768143708 627462933 /nfs/dbraw/zinc/46/29/33/627462933.db2.gz MRXQJHXXVCHDTI-UHFFFAOYSA-N 1 0 250.361 3.124 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2Cc3ccccc3[C@@H]2C)cc1OC ZINC000768465301 627481055 /nfs/dbraw/zinc/48/10/55/627481055.db2.gz GDSUWYHLKPFALK-LBPRGKRZSA-N 1 0 299.370 3.486 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@H]1c1cc(C)no1 ZINC000768879802 627505735 /nfs/dbraw/zinc/50/57/35/627505735.db2.gz YFMAGFCFDKOXCL-ZDUSSCGKSA-N 1 0 288.347 3.034 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](C)[C@H]2C)c1 ZINC000769223757 627531872 /nfs/dbraw/zinc/53/18/72/627531872.db2.gz QRHRICJUCBDKJB-CHWSQXEVSA-N 1 0 263.381 3.411 20 10 CGCDRO CCCC[N@H+](CCOC)Cc1c(O)cccc1Cl ZINC000769389812 627547604 /nfs/dbraw/zinc/54/76/04/627547604.db2.gz PVBYGCSQUZJDPU-UHFFFAOYSA-N 1 0 271.788 3.294 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](c3ccco3)C2)cc1F ZINC000769390171 627547991 /nfs/dbraw/zinc/54/79/91/627547991.db2.gz RBSVQEMPKHOVFN-CQSZACIVSA-N 1 0 288.366 3.474 20 10 CGCDRO C[C@@H]1CCCCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000769404102 627549519 /nfs/dbraw/zinc/54/95/19/627549519.db2.gz JAQWLMSGTCTSOH-MRXNPFEDSA-N 1 0 288.435 3.288 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@H](C)CC[C@H]2C)c1 ZINC000769445158 627553043 /nfs/dbraw/zinc/55/30/43/627553043.db2.gz FRNHKWSXNXSIOF-CHWSQXEVSA-N 1 0 263.381 3.411 20 10 CGCDRO CCC[C@@H]1CCC[N@H+](Cc2c(O)cccc2OC)C1 ZINC000769503778 627560559 /nfs/dbraw/zinc/56/05/59/627560559.db2.gz LVXZXFBFNSFFFG-CYBMUJFWSA-N 1 0 263.381 3.413 20 10 CGCDRO COc1cccc(O)c1C[N@H+](C)[C@@H]1C[C@@](C)(OC)C1(C)C ZINC000769548616 627565150 /nfs/dbraw/zinc/56/51/50/627565150.db2.gz IZCGTDMFPLHALJ-NVXWUHKLSA-N 1 0 293.407 3.036 20 10 CGCDRO COc1cc(O)c(C[NH2+][C@@H](C)CCC2CC2)cc1OC ZINC000769560118 627566586 /nfs/dbraw/zinc/56/65/86/627566586.db2.gz SGFJFIRJLNOCRD-NSHDSACASA-N 1 0 279.380 3.078 20 10 CGCDRO Oc1ccccc1CN1CCc2c(F)ccc(F)c2C1 ZINC000770505337 627623988 /nfs/dbraw/zinc/62/39/88/627623988.db2.gz QHTWDTIAVNRUEX-UHFFFAOYSA-N 1 0 275.298 3.229 20 10 CGCDRO CCC1(O)CCC([NH2+]Cc2cc(C)c(C)cc2O)CC1 ZINC000771876501 627738670 /nfs/dbraw/zinc/73/86/70/627738670.db2.gz ZRUIDEIHPHDSHQ-UHFFFAOYSA-N 1 0 277.408 3.182 20 10 CGCDRO CCOc1ccc(C[N@H+](C)Cc2ccccc2)c(O)c1 ZINC000771927146 627745715 /nfs/dbraw/zinc/74/57/15/627745715.db2.gz HJZSDZAUFCCFJV-UHFFFAOYSA-N 1 0 271.360 3.423 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)cc1 ZINC000773766751 627914161 /nfs/dbraw/zinc/91/41/61/627914161.db2.gz VFLSMDYGVCQCTD-SJLPKXTDSA-N 1 0 288.435 3.144 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC000773804951 627916748 /nfs/dbraw/zinc/91/67/48/627916748.db2.gz FGVUJEZMDLSQRY-SJORKVTESA-N 1 0 288.435 3.001 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@H](C3CC3)C2)cc1 ZINC000773821112 627916787 /nfs/dbraw/zinc/91/67/87/627916787.db2.gz SGBOIHVMGBIDJZ-INIZCTEOSA-N 1 0 258.409 3.375 20 10 CGCDRO CCN(C)c1ccc(C[NH2+][C@@H](C)c2ccccn2)cc1 ZINC000773842301 627920336 /nfs/dbraw/zinc/92/03/36/627920336.db2.gz VXKJPCHNLDFXBL-AWEZNQCLSA-N 1 0 269.392 3.389 20 10 CGCDRO CC[C@@H]([NH2+]C1CCN(C)CC1)c1cc(Cl)ccc1O ZINC000775485153 628098836 /nfs/dbraw/zinc/09/88/36/628098836.db2.gz NYXWXIGJNDWGFN-CQSZACIVSA-N 1 0 282.815 3.181 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H](O)c1ccco1)c1cc(Cl)ccc1O ZINC000775487724 628099282 /nfs/dbraw/zinc/09/92/82/628099282.db2.gz NXYWTQDVMPNUHZ-TZMCWYRMSA-N 1 0 295.766 3.413 20 10 CGCDRO CC[C@H]([NH2+]CC(C)(C)CCO)c1cc(Cl)ccc1O ZINC000775513225 628102677 /nfs/dbraw/zinc/10/26/77/628102677.db2.gz OZIJFRSJASHLJT-ZDUSSCGKSA-N 1 0 285.815 3.495 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cnn(C)c1C)c1cc(Cl)ccc1O ZINC000775524232 628103334 /nfs/dbraw/zinc/10/33/34/628103334.db2.gz DRBCGJQHKSNZTK-CQSZACIVSA-N 1 0 293.798 3.328 20 10 CGCDRO CC[C@H]([NH2+]CC1(CO)CCC1)c1cc(Cl)ccc1O ZINC000775550734 628105638 /nfs/dbraw/zinc/10/56/38/628105638.db2.gz AEZWHGFVXKEPPU-ZDUSSCGKSA-N 1 0 283.799 3.249 20 10 CGCDRO COc1ccc(C[N@H+](C)Cc2cccc(C)c2O)cc1F ZINC000775644769 628118888 /nfs/dbraw/zinc/11/88/88/628118888.db2.gz UDKKDIJBYMHEMW-UHFFFAOYSA-N 1 0 289.350 3.480 20 10 CGCDRO Cc1cc(Cl)cc(C[N@H+](C)C[C@@H]2CCCCO2)c1O ZINC000775661958 628122018 /nfs/dbraw/zinc/12/20/18/628122018.db2.gz SJFVAKNJDIGEEB-AWEZNQCLSA-N 1 0 283.799 3.355 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CCCc3sccc3C2)c1 ZINC000775689440 628126670 /nfs/dbraw/zinc/12/66/70/628126670.db2.gz IYHVWRQNUYIJCH-UHFFFAOYSA-N 1 0 289.400 3.411 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CC[C@H](C)[C@@H]2CC)c(O)c1 ZINC000775997563 628156872 /nfs/dbraw/zinc/15/68/72/628156872.db2.gz BEHIRCIVPCVMBX-WFASDCNBSA-N 1 0 263.381 3.411 20 10 CGCDRO COc1ccc(C[NH2+]Cc2cc(OC)ccc2O)c(C)c1 ZINC000776253912 628185539 /nfs/dbraw/zinc/18/55/39/628185539.db2.gz WXUJLANQSOIMFV-UHFFFAOYSA-N 1 0 287.359 3.008 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccccc1O)C1CCSCC1 ZINC000779016119 628382196 /nfs/dbraw/zinc/38/21/96/628382196.db2.gz DDMJRCBINSZROY-LLVKDONJSA-N 1 0 251.395 3.014 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCn3ccnc3C2)cc1 ZINC000779066361 628386468 /nfs/dbraw/zinc/38/64/68/628386468.db2.gz QRSMZYWMWXQRRT-HOCLYGCPSA-N 1 0 298.434 3.005 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+][C@H]1CSc2ccccc21 ZINC000779081596 628387888 /nfs/dbraw/zinc/38/78/88/628387888.db2.gz DBOQHJGHOZNPRX-ZDUSSCGKSA-N 1 0 275.348 3.468 20 10 CGCDRO CC[C@@H](CO)[N@H+](Cc1ccccc1)Cc1ccccc1O ZINC000779511596 628416054 /nfs/dbraw/zinc/41/60/54/628416054.db2.gz TWHYEQFEAXMTRD-KRWDZBQOSA-N 1 0 285.387 3.165 20 10 CGCDRO CC1(C)CC(C[NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000780591191 628503472 /nfs/dbraw/zinc/50/34/72/628503472.db2.gz PEWQBZNFTZIBCK-UHFFFAOYSA-N 1 0 288.435 3.049 20 10 CGCDRO C[C@H]([NH2+]CCCSc1nccs1)[C@@H]1CCCOC1 ZINC000780725843 628511014 /nfs/dbraw/zinc/51/10/14/628511014.db2.gz UFTWALZKTDOZGG-NWDGAFQWSA-N 1 0 286.466 3.030 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](OC(F)F)C2)cc1C ZINC000781150445 628540885 /nfs/dbraw/zinc/54/08/85/628540885.db2.gz DOVKTMQXTNDWDW-CYBMUJFWSA-N 1 0 285.334 3.213 20 10 CGCDRO C[C@H]1CC[C@]2(CC[N@H+](Cc3cc4c(cc3O)OCO4)C2)C1 ZINC000781586251 628575956 /nfs/dbraw/zinc/57/59/56/628575956.db2.gz KIOBZQZLUUOAFE-SJCJKPOMSA-N 1 0 289.375 3.133 20 10 CGCDRO C[C@@H]1CC[C@@]2(CC[N@H+](Cc3cc4c(cc3O)OCO4)C2)C1 ZINC000781586252 628576120 /nfs/dbraw/zinc/57/61/20/628576120.db2.gz KIOBZQZLUUOAFE-SJKOYZFVSA-N 1 0 289.375 3.133 20 10 CGCDRO CC1(C)CCC[C@](O)(C[NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000782535234 628653255 /nfs/dbraw/zinc/65/32/55/628653255.db2.gz MJYZEWTVADYRKU-MRXNPFEDSA-N 1 0 297.826 3.467 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CC2(N(C)C)CCC2)c(O)c1C ZINC000783313704 628702792 /nfs/dbraw/zinc/70/27/92/628702792.db2.gz DYLJBMYKGOTKPD-CQSZACIVSA-N 1 0 276.424 3.144 20 10 CGCDRO C[C@H]([NH2+]CCN1[C@@H](C)CCC[C@@H]1C)c1ccccc1O ZINC000783509309 628719481 /nfs/dbraw/zinc/71/94/81/628719481.db2.gz RRSQYEPJPARYMW-KKUMJFAQSA-N 1 0 276.424 3.306 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCCCS2)cc1C ZINC000784615339 628825163 /nfs/dbraw/zinc/82/51/63/628825163.db2.gz GIQDNGLMFWLOMT-CQSZACIVSA-N 1 0 265.422 3.384 20 10 CGCDRO C[C@H]1C[C@@H](CC[NH2+]Cc2ccc(N(C)C)c(F)c2)CCO1 ZINC000784643671 628827335 /nfs/dbraw/zinc/82/73/35/628827335.db2.gz NPJSMKXJYIGKEC-KBPBESRZSA-N 1 0 294.414 3.187 20 10 CGCDRO COc1ccc(O)c(C[NH2+]Cc2ccc3cnccc3c2)c1 ZINC000785468951 628864584 /nfs/dbraw/zinc/86/45/84/628864584.db2.gz NLUHNCDKYLBXKA-UHFFFAOYSA-N 1 0 294.354 3.239 20 10 CGCDRO CCN1CCC[C@@H]1C[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000788501690 629060295 /nfs/dbraw/zinc/06/02/95/629060295.db2.gz GTTNFGPWGBMVAK-HUUCEWRRSA-N 1 0 276.424 3.144 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2C[C@H](C)C[C@H](C)[C@H]2C)cc1OC ZINC000789586379 629148142 /nfs/dbraw/zinc/14/81/42/629148142.db2.gz NGHSHBJAHVDBQA-FRRDWIJNSA-N 1 0 293.407 3.276 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2N(C)CCCC2(C)C)c(O)c1 ZINC000790496546 629213621 /nfs/dbraw/zinc/21/36/21/629213621.db2.gz FSBRWLJREZPECL-RHSMWYFYSA-N 1 0 290.451 3.472 20 10 CGCDRO C[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1ccc(F)cc1[O-] ZINC000790751888 629228267 /nfs/dbraw/zinc/22/82/67/629228267.db2.gz YXHRHBZMXBNKTD-ZDUSSCGKSA-N 1 0 294.414 3.304 20 10 CGCDRO COCC[N@H+](Cc1cc(OC)ccc1O)[C@H]1CC[C@H](C)C1 ZINC000792192386 629346751 /nfs/dbraw/zinc/34/67/51/629346751.db2.gz JITBDRNZXVXHFD-ZFWWWQNUSA-N 1 0 293.407 3.038 20 10 CGCDRO CC(C)[N@H+](Cc1cc(F)c(N(C)C)cc1F)[C@H]1CCOC1 ZINC000862372729 629356217 /nfs/dbraw/zinc/35/62/17/629356217.db2.gz RPHSWZOEUHDIOV-ZDUSSCGKSA-N 1 0 298.377 3.030 20 10 CGCDRO COc1cc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)c(O)c(C(C)(C)C)c1 ZINC000862443028 629375988 /nfs/dbraw/zinc/37/59/88/629375988.db2.gz KRMGDJVHQUZZQG-TXEJJXNPSA-N 1 0 275.392 3.150 20 10 CGCDRO CCc1cccc(F)c1C[NH2+]Cc1ccccc1O ZINC000792952353 629397386 /nfs/dbraw/zinc/39/73/86/629397386.db2.gz PDEFBONZYFMORU-UHFFFAOYSA-N 1 0 259.324 3.384 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CC2(F)CC2)cc1F ZINC000792975644 629398886 /nfs/dbraw/zinc/39/88/86/629398886.db2.gz YNKKDVNHKAOHNP-UHFFFAOYSA-N 1 0 268.351 3.264 20 10 CGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@@H](C)[C@@H]1CCCOC1 ZINC000793192755 629426862 /nfs/dbraw/zinc/42/68/62/629426862.db2.gz RSZJXMDXZXWYNG-GOEBONIOSA-N 1 0 276.424 3.177 20 10 CGCDRO COc1ccc(C[NH2+]Cc2scnc2C2CC2)c(O)c1 ZINC000793389145 629452807 /nfs/dbraw/zinc/45/28/07/629452807.db2.gz XHXPDLBNKKKMIL-UHFFFAOYSA-N 1 0 290.388 3.025 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2CS[C@@H](C(C)(C)C)C2)c(O)c1 ZINC000793389650 629453598 /nfs/dbraw/zinc/45/35/98/629453598.db2.gz LKMLWKVNSFEBDI-IUODEOHRSA-N 1 0 295.448 3.411 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CS[C@H](C(C)C)C2)c(O)c1 ZINC000793390350 629453686 /nfs/dbraw/zinc/45/36/86/629453686.db2.gz PFGMSFDVOHBGIM-WFASDCNBSA-N 1 0 281.421 3.021 20 10 CGCDRO CC[C@H]([NH2+]CCC1(O)CCC1)c1cc(Cl)ccc1O ZINC000793567055 629484703 /nfs/dbraw/zinc/48/47/03/629484703.db2.gz XBJUQONYMXLGLQ-ZDUSSCGKSA-N 1 0 283.799 3.391 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCOC[C@H](C3CCC3)C2)cc1C ZINC000793743050 629499985 /nfs/dbraw/zinc/49/99/85/629499985.db2.gz NUPIMFBNWBEXIZ-QGZVFWFLSA-N 1 0 289.419 3.258 20 10 CGCDRO CC[C@H]([NH2+]C[C@H](O)c1ccccc1)c1ccc(C)cc1O ZINC000794795209 629577255 /nfs/dbraw/zinc/57/72/55/629577255.db2.gz OWETVKJVHYNQQG-WMZOPIPTSA-N 1 0 285.387 3.475 20 10 CGCDRO CC[C@H]([NH2+][C@@H](CO)CC1CCC1)c1ccc(N(C)C)cc1 ZINC000794830958 629582988 /nfs/dbraw/zinc/58/29/88/629582988.db2.gz AUDKRLVPFCGMSY-AEFFLSMTSA-N 1 0 290.451 3.344 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cccnc1F)c1ccccc1O ZINC000794838250 629586292 /nfs/dbraw/zinc/58/62/92/629586292.db2.gz YADIFCMOIHKHPT-CYBMUJFWSA-N 1 0 260.312 3.167 20 10 CGCDRO C[C@H](N[C@@H]1CC[C@@H](C)[NH2+]C1)c1ccc2ccccc2c1O ZINC000863548495 629603308 /nfs/dbraw/zinc/60/33/08/629603308.db2.gz YERJXLNACHMJSG-VNHYZAJKSA-N 1 0 284.403 3.337 20 10 CGCDRO COC(=O)c1cccc(C[NH2+]Cc2ccc(OC)c(C)c2)c1 ZINC000795913269 629725766 /nfs/dbraw/zinc/72/57/66/629725766.db2.gz SHSXFCJMPMKMOA-UHFFFAOYSA-N 1 0 299.370 3.080 20 10 CGCDRO CCOc1cccc(C[NH2+]CC2(C(F)(F)F)CC2)c1O ZINC000796488610 629789271 /nfs/dbraw/zinc/78/92/71/629789271.db2.gz HNQYBNFSBWLHED-UHFFFAOYSA-N 1 0 289.297 3.223 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]CC2(C(F)(F)F)CC2)c1 ZINC000796488405 629789606 /nfs/dbraw/zinc/78/96/06/629789606.db2.gz GMOXPNGQCFMSJK-UHFFFAOYSA-N 1 0 259.271 3.133 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccccc1O)c1ccc2[nH]c(=O)oc2c1 ZINC000796742758 629823906 /nfs/dbraw/zinc/82/39/06/629823906.db2.gz IECPKSJRSDXNRA-SNVBAGLBSA-N 1 0 284.315 3.090 20 10 CGCDRO C[C@H]([NH2+][C@H]1CSC[C@@H]1C)c1cc(Cl)ccc1O ZINC000797066935 629881211 /nfs/dbraw/zinc/88/12/11/629881211.db2.gz VHXXMRMIOKVYGZ-AUTRQRHGSA-N 1 0 271.813 3.448 20 10 CGCDRO C[C@@H]([NH2+]C[C@H](CO)CC1CCCC1)c1cc(F)ccc1O ZINC000798938558 630127692 /nfs/dbraw/zinc/12/76/92/630127692.db2.gz YVUWXVABCQWELQ-TZMCWYRMSA-N 1 0 295.398 3.371 20 10 CGCDRO C[C@H]([NH2+]C[C@@H](CO)CC1CCCC1)c1ccccc1O ZINC000798937561 630127703 /nfs/dbraw/zinc/12/77/03/630127703.db2.gz MPHFJZYFTSSDPB-ZFWWWQNUSA-N 1 0 277.408 3.232 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](c3ccccn3)C2)c1 ZINC000798962668 630129134 /nfs/dbraw/zinc/12/91/34/630129134.db2.gz OODSUMRSHLXPJR-CQSZACIVSA-N 1 0 268.360 3.085 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H](CCO)Cc2ccccc2)c(O)c1 ZINC000799731078 630226817 /nfs/dbraw/zinc/22/68/17/630226817.db2.gz LORXTLPGEFZFLI-DOTOQJQBSA-N 1 0 299.414 3.345 20 10 CGCDRO CO[C@@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])[C@@H](C)C1 ZINC000799738424 630229359 /nfs/dbraw/zinc/22/93/59/630229359.db2.gz YRACCIYSSKEGKT-JOYOIKCWSA-N 1 0 287.762 3.184 20 10 CGCDRO COc1cccc(C[NH2+]CCc2cccc3[nH]ccc32)c1O ZINC000800296318 630263206 /nfs/dbraw/zinc/26/32/06/630263206.db2.gz LBLAJOUYFNHZAM-UHFFFAOYSA-N 1 0 296.370 3.214 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@]2(C)CCOC2)c1O ZINC000808696799 630295060 /nfs/dbraw/zinc/29/50/60/630295060.db2.gz WNBGSURWXFLDNY-XHDPSFHLSA-N 1 0 283.799 3.431 20 10 CGCDRO Cc1cc(C)cc([C@H](O)C[NH2+]Cc2ccc(N(C)C)cc2)c1 ZINC000800897050 630309824 /nfs/dbraw/zinc/30/98/24/630309824.db2.gz CXAILQHMFFFKHE-LJQANCHMSA-N 1 0 298.430 3.193 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CC[C@H]2C2CCC2)c1 ZINC000800975048 630316039 /nfs/dbraw/zinc/31/60/39/630316039.db2.gz VRXOVMUMRNZRET-LSDHHAIUSA-N 1 0 261.365 3.069 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@]23C[C@H]2CCCC3)c1 ZINC000865704496 630398373 /nfs/dbraw/zinc/39/83/73/630398373.db2.gz VHJVMVLREHBIQD-CZUORRHYSA-N 1 0 261.365 3.213 20 10 CGCDRO CC[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1cccc(Cl)c1[O-] ZINC000806138565 630547756 /nfs/dbraw/zinc/54/77/56/630547756.db2.gz XJLCXUNOKXWKGT-OAHLLOKOSA-N 1 0 296.842 3.428 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)c1 ZINC000840095177 630590647 /nfs/dbraw/zinc/59/06/47/630590647.db2.gz OHUUHBDNBRFFGZ-ROUUACIJSA-N 1 0 287.403 3.152 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@](C)(F)C2)c1O ZINC000840098637 630592361 /nfs/dbraw/zinc/59/23/61/630592361.db2.gz DSOAWFFCHDXJGD-HNNXBMFYSA-N 1 0 267.344 3.033 20 10 CGCDRO CO[C@@H]1CC[N@H+](Cc2cc3c(cc2O)CCC3)CC1(C)C ZINC000840125815 630607976 /nfs/dbraw/zinc/60/79/76/630607976.db2.gz IZPIZGOKMBLGMQ-QGZVFWFLSA-N 1 0 289.419 3.128 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCN2CCCCC2)c1O ZINC000808674131 630662966 /nfs/dbraw/zinc/66/29/66/630662966.db2.gz APGFLDFEBZHORG-ZDUSSCGKSA-N 1 0 296.842 3.491 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCn2cccn2)c1O ZINC000808673541 630663299 /nfs/dbraw/zinc/66/32/99/630663299.db2.gz DXBDPRQCHQDHNU-GFCCVEGCSA-N 1 0 293.798 3.291 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H]2CCCOC2)c1O ZINC000808678731 630663604 /nfs/dbraw/zinc/66/36/04/630663604.db2.gz WPMVTONZMPSBBV-NWDGAFQWSA-N 1 0 283.799 3.431 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)C[C@@H](O)C(C)(C)C)cc1 ZINC000808706747 630667849 /nfs/dbraw/zinc/66/78/49/630667849.db2.gz STMGGDJLKSVUHC-QGZVFWFLSA-N 1 0 292.467 3.372 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCOC(C)C)c1O ZINC000808713464 630668987 /nfs/dbraw/zinc/66/89/87/630668987.db2.gz HWQYBSLOXAVUFZ-NSHDSACASA-N 1 0 271.788 3.430 20 10 CGCDRO C/C=C/C[C@H](CO)[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808714707 630669660 /nfs/dbraw/zinc/66/96/60/630669660.db2.gz OUJCZFRVRPZXSB-SOHMCZBRSA-N 1 0 283.799 3.332 20 10 CGCDRO COC(=O)c1ccc(C[NH2+]Cc2ccc(OC)c(C)c2)cc1 ZINC000809732312 630795253 /nfs/dbraw/zinc/79/52/53/630795253.db2.gz AYLGMPNLURJZFQ-UHFFFAOYSA-N 1 0 299.370 3.080 20 10 CGCDRO CCN(CC)c1ccc(CN(C)CC[N@H+](C)C2CC2)cc1 ZINC000809754381 630800896 /nfs/dbraw/zinc/80/08/96/630800896.db2.gz JNZIEKUNJSLUCL-UHFFFAOYSA-N 1 0 289.467 3.059 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CC(C)=C[C@@H](C)C2)c1 ZINC000810145015 630845747 /nfs/dbraw/zinc/84/57/47/630845747.db2.gz OTPVKVLQVUSLCB-OCCSQVGLSA-N 1 0 275.392 3.483 20 10 CGCDRO Cc1cccc2c1OC[C@@H]([NH2+]Cc1cc(C)c(C)cc1O)C2 ZINC000810178147 630850616 /nfs/dbraw/zinc/85/06/16/630850616.db2.gz JFNLYLPYYNJILS-KRWDZBQOSA-N 1 0 297.398 3.411 20 10 CGCDRO CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000810257413 630860421 /nfs/dbraw/zinc/86/04/21/630860421.db2.gz QGHMWKXPRKMKSR-OUAUKWLOSA-N 1 0 271.788 3.428 20 10 CGCDRO CC[C@H]([NH2+]Cc1c2c(nn1C)CCCC2)c1ccccc1O ZINC000812738092 631300195 /nfs/dbraw/zinc/30/01/95/631300195.db2.gz WVTVXIBRPORUPT-HNNXBMFYSA-N 1 0 299.418 3.245 20 10 CGCDRO CC1(C)[C@@H](O)CC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000812778440 631306973 /nfs/dbraw/zinc/30/69/73/631306973.db2.gz GHEUHWMVXYBZIW-KRWDZBQOSA-N 1 0 288.435 3.022 20 10 CGCDRO CC[N@@H+](Cc1cc(Cl)cc(C)c1O)C[C@@H](C)OC ZINC000812807947 631316900 /nfs/dbraw/zinc/31/69/00/631316900.db2.gz ZXVVOEDPPXHBCM-LLVKDONJSA-N 1 0 271.788 3.211 20 10 CGCDRO CCC[C@H](C)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000813330970 631410734 /nfs/dbraw/zinc/41/07/34/631410734.db2.gz KKJIDCYEOKOCCL-RYUDHWBXSA-N 1 0 251.370 3.488 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCSCC3)cc2)[C@H]1C ZINC000813856042 631471943 /nfs/dbraw/zinc/47/19/43/631471943.db2.gz XKNGIMGWVUZXMZ-KEYYUXOJSA-N 1 0 290.476 3.374 20 10 CGCDRO CSC[C@H]1CCC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000814179327 631539920 /nfs/dbraw/zinc/53/99/20/631539920.db2.gz RIAMWEYXJSVUDK-AWEZNQCLSA-N 1 0 296.455 3.467 20 10 CGCDRO CC[N@@H+](Cc1ccc(N(C)C)c(C)c1)C[C@@H]1CCCO1 ZINC000815029234 631705348 /nfs/dbraw/zinc/70/53/48/631705348.db2.gz OVECCQLCEIRDBJ-INIZCTEOSA-N 1 0 276.424 3.062 20 10 CGCDRO CC[C@@]1(C)COCC[N@@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000815078804 631713076 /nfs/dbraw/zinc/71/30/76/631713076.db2.gz GYIHTWDHIIMAME-KRWDZBQOSA-N 1 0 276.424 3.062 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCCC[C@H]2C[C@@H](C)O)cc1 ZINC000815103331 631717861 /nfs/dbraw/zinc/71/78/61/631717861.db2.gz PCVFGQMABQTBGO-QAPCUYQASA-N 1 0 290.451 3.268 20 10 CGCDRO Cc1cc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)ccc1N(C)C ZINC000815113408 631720161 /nfs/dbraw/zinc/72/01/61/631720161.db2.gz ALHKFBZJAXQUHV-ROUUACIJSA-N 1 0 288.435 3.204 20 10 CGCDRO CCN(CC[NH2+][C@H](C)c1c(C)cc(C)cc1O)C(C)C ZINC000815573698 631798489 /nfs/dbraw/zinc/79/84/89/631798489.db2.gz QWUGQOBIMVJIBB-OAHLLOKOSA-N 1 0 278.440 3.390 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCN2CC[C@@H](C)C2)c(O)c1 ZINC000815585704 631801594 /nfs/dbraw/zinc/80/15/94/631801594.db2.gz PUXCUOYLEDKGHS-IUODEOHRSA-N 1 0 276.424 3.001 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2ccc(F)cn2)c(O)c1 ZINC000815589238 631802613 /nfs/dbraw/zinc/80/26/13/631802613.db2.gz MEQNPIKXMRSSLZ-LBPRGKRZSA-N 1 0 274.339 3.394 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCOC(F)(F)F)c(O)c1 ZINC000815619120 631807936 /nfs/dbraw/zinc/80/79/36/631807936.db2.gz CXKJXHDGCNMUPT-SNVBAGLBSA-N 1 0 277.286 3.196 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2cc[nH]c(=O)c2)c1 ZINC000815643048 631812036 /nfs/dbraw/zinc/81/20/36/631812036.db2.gz RWQQQRQDSSDRNQ-NWDGAFQWSA-N 1 0 272.348 3.213 20 10 CGCDRO COc1cc(O)c(C[NH2+]C2CC(C(C)(C)C)C2)cc1OC ZINC000816642424 632030050 /nfs/dbraw/zinc/03/00/50/632030050.db2.gz ZBQRAKBUFAVIMV-UHFFFAOYSA-N 1 0 293.407 3.324 20 10 CGCDRO Cc1cccc(C[NH2+]Cc2c(F)cc(F)cc2F)c1O ZINC000816651061 632036691 /nfs/dbraw/zinc/03/66/91/632036691.db2.gz QYMXJCVFZAOGOG-UHFFFAOYSA-N 1 0 281.277 3.408 20 10 CGCDRO C[C@@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1cccs1 ZINC000817938317 632239047 /nfs/dbraw/zinc/23/90/47/632239047.db2.gz IZHYFGBKTFLFFD-DOMZBBRYSA-N 1 0 289.448 3.165 20 10 CGCDRO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000817941497 632240949 /nfs/dbraw/zinc/24/09/49/632240949.db2.gz KCSSIZRMTDLHOW-XYPHTWIQSA-N 1 0 289.467 3.167 20 10 CGCDRO CN(C)c1ccc([C@@H](N)C[NH2+][C@@H]2CCC23CCCC3)cc1 ZINC000817942517 632241016 /nfs/dbraw/zinc/24/10/16/632241016.db2.gz PIHPXGRQPMDREB-DLBZAZTESA-N 1 0 287.451 3.065 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]C1)c1cccc(Cl)c1[O-] ZINC000817946612 632243070 /nfs/dbraw/zinc/24/30/70/632243070.db2.gz BBJCXAGCCRCKCB-JMSVASOKSA-N 1 0 296.842 3.474 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H](N)c1ccccc1)c1ccccc1O ZINC000817954486 632248720 /nfs/dbraw/zinc/24/87/20/632248720.db2.gz DHSKFGLBLAJXCY-HZPDHXFCSA-N 1 0 270.376 3.133 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H]([NH3+])C(C)C)c1cccc(Cl)c1[O-] ZINC000817959791 632254402 /nfs/dbraw/zinc/25/44/02/632254402.db2.gz VCANBWMHRWJHNU-OLZOCXBDSA-N 1 0 270.804 3.070 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1ccc(F)cc1[O-] ZINC000817961396 632257501 /nfs/dbraw/zinc/25/75/01/632257501.db2.gz XZATWMAVJQJPKM-TUKIKUTGSA-N 1 0 280.387 3.090 20 10 CGCDRO CCCC[C@H](CN)[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000817963192 632258914 /nfs/dbraw/zinc/25/89/14/632258914.db2.gz SDICMHIEJTZTEI-LOWVWBTDSA-N 1 0 280.387 3.187 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](C)C[NH3+])c1ccc(Cl)c(Cl)c1[O-] ZINC000817963621 632259027 /nfs/dbraw/zinc/25/90/27/632259027.db2.gz WNCMJRVMUNUTQS-KWQFWETISA-N 1 0 291.222 3.335 20 10 CGCDRO Cc1cc(N)cc(C[NH2+][C@@H](C)c2cc(F)ccc2O)c1 ZINC000817980300 632270283 /nfs/dbraw/zinc/27/02/83/632270283.db2.gz KPKPWNWBHBVQJM-NSHDSACASA-N 1 0 274.339 3.273 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)cc1C ZINC000865761727 632883234 /nfs/dbraw/zinc/88/32/34/632883234.db2.gz PCFDXZLYSFWUDN-AEFFLSMTSA-N 1 0 289.419 3.298 20 10 CGCDRO COc1ccc(C[NH2+][C@H](C2CCC2)[C@H]2CCOC2)cc1C ZINC000865761728 632883789 /nfs/dbraw/zinc/88/37/89/632883789.db2.gz PCFDXZLYSFWUDN-FUHWJXTLSA-N 1 0 289.419 3.298 20 10 CGCDRO Cc1cccc(C[NH2+][C@H]2C[C@]2(F)c2ccccc2)c1O ZINC000822498449 632948244 /nfs/dbraw/zinc/94/82/44/632948244.db2.gz YYUCJWGRYBJDIE-RDJZCZTQSA-N 1 0 271.335 3.428 20 10 CGCDRO C[C@H]([NH2+][C@H](C1CCC1)[C@@H]1CCOC1)c1cc(F)ccc1O ZINC000866513628 633169929 /nfs/dbraw/zinc/16/99/29/633169929.db2.gz WYOLQGYOXQZTCS-XTQGRXLLSA-N 1 0 293.382 3.387 20 10 CGCDRO CC[C@H]([NH2+]Cc1nn(C)cc1C(F)F)c1ccccc1O ZINC000866566354 633197369 /nfs/dbraw/zinc/19/73/69/633197369.db2.gz ZMCDCDDNCSLURW-LBPRGKRZSA-N 1 0 295.333 3.304 20 10 CGCDRO CC[C@H](C[C@@H](C)O)[NH2+][C@@H](C)c1ccc(N(C)CC)cc1 ZINC000866634259 633223120 /nfs/dbraw/zinc/22/31/20/633223120.db2.gz DEGFDESQVQKSHJ-IJEWVQPXSA-N 1 0 278.440 3.343 20 10 CGCDRO COc1cccc(C[N@H+](C)CCc2ccccc2C)c1O ZINC000824555574 633259424 /nfs/dbraw/zinc/25/94/24/633259424.db2.gz VGBKQDORABAIJU-UHFFFAOYSA-N 1 0 285.387 3.384 20 10 CGCDRO COc1ccc(O)c(C[N@H+](C)CCc2ccccc2C)c1 ZINC000824554266 633259448 /nfs/dbraw/zinc/25/94/48/633259448.db2.gz DMZOJAJLCDGCKP-UHFFFAOYSA-N 1 0 285.387 3.384 20 10 CGCDRO Cc1cc(C[NH2+]Cc2cc(Cl)cc(C)c2O)ccn1 ZINC000824595940 633261632 /nfs/dbraw/zinc/26/16/32/633261632.db2.gz CDGMDDJDGWIHGA-UHFFFAOYSA-N 1 0 276.767 3.347 20 10 CGCDRO CC(C)(CO)CC[NH2+]Cc1ccc2ccccc2c1O ZINC000824603609 633264350 /nfs/dbraw/zinc/26/43/50/633264350.db2.gz WJACUEZWFSNJAM-UHFFFAOYSA-N 1 0 273.376 3.044 20 10 CGCDRO Oc1ccc(Br)cc1C[N@@H+]1CC[C@H]1C1CC1 ZINC000824650122 633267726 /nfs/dbraw/zinc/26/77/26/633267726.db2.gz JBYCDUCIOUQZAA-LBPRGKRZSA-N 1 0 282.181 3.139 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2CCC[C@@H]2C[C@H](C)O)cc1Cl ZINC000824829683 633297231 /nfs/dbraw/zinc/29/72/31/633297231.db2.gz KGXODJPYXQMXAU-WCQYABFASA-N 1 0 283.799 3.089 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H](C(C)C)[C@@H](CO)C(C)C)c1O ZINC000824845030 633300042 /nfs/dbraw/zinc/30/00/42/633300042.db2.gz GUILUOSZSXVOGC-HOTGVXAUSA-N 1 0 279.424 3.079 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCSC[C@H]2C2CC2)cc1 ZINC000824913912 633305267 /nfs/dbraw/zinc/30/52/67/633305267.db2.gz IQYWPHWDWJXSPS-INIZCTEOSA-N 1 0 276.449 3.080 20 10 CGCDRO Cc1ccc(F)c(CC[NH2+]Cc2cc(F)ccc2O)c1 ZINC000824976704 633313109 /nfs/dbraw/zinc/31/31/09/633313109.db2.gz FJANCAQENMWMPO-UHFFFAOYSA-N 1 0 277.314 3.311 20 10 CGCDRO CCn1ccnc1[C@H](C)[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000825005263 633316608 /nfs/dbraw/zinc/31/66/08/633316608.db2.gz FYFBHRCWUDEBBJ-NSHDSACASA-N 1 0 293.798 3.421 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCN3CCCC[C@@H]23)cc1Cl ZINC000825114662 633330017 /nfs/dbraw/zinc/33/00/17/633330017.db2.gz UWLBONUNCFHOBE-CABCVRRESA-N 1 0 294.826 3.070 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCN3CCCC[C@@H]23)cc1Cl ZINC000825114663 633330342 /nfs/dbraw/zinc/33/03/42/633330342.db2.gz UWLBONUNCFHOBE-GJZGRUSLSA-N 1 0 294.826 3.070 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CO[C@H](C3CC3)C2)cc1 ZINC000825125023 633330574 /nfs/dbraw/zinc/33/05/74/633330574.db2.gz CVENBOJDXOQHJU-AEFFLSMTSA-N 1 0 288.435 3.190 20 10 CGCDRO Cc1cc(O)c(C[NH2+]Cc2nccs2)cc1Cl ZINC000825132019 633331837 /nfs/dbraw/zinc/33/18/37/633331837.db2.gz VXKJPXMEWZROMQ-UHFFFAOYSA-N 1 0 268.769 3.100 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@]3(CCSC3)C2)c1 ZINC000825215052 633336155 /nfs/dbraw/zinc/33/61/55/633336155.db2.gz DXQRFCALEQSLSE-MRXNPFEDSA-N 1 0 277.433 3.420 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@]3(CCSC3)C2)cc1 ZINC000825215478 633336296 /nfs/dbraw/zinc/33/62/96/633336296.db2.gz PLCYUBXFVJKFES-KRWDZBQOSA-N 1 0 290.476 3.472 20 10 CGCDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825501487 633358444 /nfs/dbraw/zinc/35/84/44/633358444.db2.gz QBKYUAZNNPRZKH-GHMZBOCLSA-N 1 0 299.798 3.031 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCO[C@H](C3CC3)C2)cc1Cl ZINC000825525507 633361909 /nfs/dbraw/zinc/36/19/09/633361909.db2.gz FVTULQUUJQWTCK-BBRMVZONSA-N 1 0 295.810 3.401 20 10 CGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@H](C)CSCCF ZINC000825710710 633376643 /nfs/dbraw/zinc/37/66/43/633376643.db2.gz YZMLZJFLQGZCDU-CYBMUJFWSA-N 1 0 284.444 3.453 20 10 CGCDRO COCC1([NH2+]Cc2cc(Cl)c(C)cc2O)CCC1 ZINC000825843187 633384142 /nfs/dbraw/zinc/38/41/42/633384142.db2.gz PTYKIOFAUYRPQK-UHFFFAOYSA-N 1 0 269.772 3.013 20 10 CGCDRO CS[C@@H]1CC[N@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000826049054 633400900 /nfs/dbraw/zinc/40/09/00/633400900.db2.gz OEYGJYOSHNUFNR-LLVKDONJSA-N 1 0 271.813 3.291 20 10 CGCDRO COC1CC(CC[NH2+]Cc2cc(Cl)cc(C)c2O)C1 ZINC000826797792 633433708 /nfs/dbraw/zinc/43/37/08/633433708.db2.gz YRFMPEAASLSOJP-UHFFFAOYSA-N 1 0 283.799 3.259 20 10 CGCDRO COc1ccc(O)c(C[NH2+]CCc2ccc(C)c(C)c2)c1 ZINC000827094747 633457700 /nfs/dbraw/zinc/45/77/00/633457700.db2.gz UAAYKOBVNBGVDW-UHFFFAOYSA-N 1 0 285.387 3.350 20 10 CGCDRO C[C@@H]1CC[N@H+](C/C=C/c2ccc(N(C)C)cc2)C[C@H](C)O1 ZINC000827371455 633485656 /nfs/dbraw/zinc/48/56/56/633485656.db2.gz VCTBRGULNUMXNZ-QDNWOOLPSA-N 1 0 288.435 3.265 20 10 CGCDRO Oc1ccccc1C[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC000827376918 633487086 /nfs/dbraw/zinc/48/70/86/633487086.db2.gz LCNDQUOMMUZRSO-KRWDZBQOSA-N 1 0 275.392 3.173 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccco1 ZINC000827494949 633495026 /nfs/dbraw/zinc/49/50/26/633495026.db2.gz QTJFLYWFTVFGKF-KRWDZBQOSA-N 1 0 299.370 3.339 20 10 CGCDRO CCc1cccc(C[NH2+]CCCc2ccco2)c1O ZINC000827675156 633510108 /nfs/dbraw/zinc/51/01/08/633510108.db2.gz ZFHFWVCVUUTIBA-UHFFFAOYSA-N 1 0 259.349 3.270 20 10 CGCDRO C[C@@H](O)[C@@H]([NH2+]Cc1c(O)cccc1Cl)c1ccccc1 ZINC000827856834 633525767 /nfs/dbraw/zinc/52/57/67/633525767.db2.gz TWUSSYXFZPEWCI-BDJLRTHQSA-N 1 0 291.778 3.257 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)C2(CO)CCC2)cc1F ZINC000827903777 633532814 /nfs/dbraw/zinc/53/28/14/633532814.db2.gz OUAHMRJZRFDODN-UHFFFAOYSA-N 1 0 294.414 3.019 20 10 CGCDRO C[C@H]([NH2+]CC1=CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000828148453 633574047 /nfs/dbraw/zinc/57/40/47/633574047.db2.gz WVYAGMGPYJDNCL-HNNXBMFYSA-N 1 0 286.419 3.284 20 10 CGCDRO COC1CCN(c2ccc(C[N@H+]3CC=CCC3)cc2)CC1 ZINC000828742886 633647329 /nfs/dbraw/zinc/64/73/29/633647329.db2.gz HJBIPYJQEIWIDF-UHFFFAOYSA-N 1 0 286.419 3.064 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)cc1 ZINC000828905255 633668338 /nfs/dbraw/zinc/66/83/38/633668338.db2.gz MEQTXJPVGDSWLB-FUHWJXTLSA-N 1 0 288.435 3.144 20 10 CGCDRO COc1ccc(C[NH2+][C@H](C)[C@](C)(O)c2ccccc2)cc1C ZINC000846038541 636134637 /nfs/dbraw/zinc/13/46/37/636134637.db2.gz MURUZVUNALLJPD-BEFAXECRSA-N 1 0 299.414 3.389 20 10 CGCDRO Cc1cc(C[N@H+]2C[C@H](C)OC3(CCC3)C2)ccc1N(C)C ZINC000830740370 633882869 /nfs/dbraw/zinc/88/28/69/633882869.db2.gz SHWNRPPBGOCIIN-HNNXBMFYSA-N 1 0 288.435 3.204 20 10 CGCDRO Cc1ccc(C[N@@H+](C)Cc2ccc(N(C)C)c(C)c2)nc1 ZINC000831059635 633914396 /nfs/dbraw/zinc/91/43/96/633914396.db2.gz YWAPNMDUVQQERK-UHFFFAOYSA-N 1 0 283.419 3.396 20 10 CGCDRO CCC[C@H](C)[C@@H](CO)[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000846184684 636155623 /nfs/dbraw/zinc/15/56/23/636155623.db2.gz QMDJQUDKTDGCEI-COPLHBTASA-N 1 0 285.815 3.493 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2C[C@@H]3CCC[C@H]3O2)c1 ZINC000872109877 634034742 /nfs/dbraw/zinc/03/47/42/634034742.db2.gz TULXLVQRBBTIPB-AYMQEEERSA-N 1 0 275.392 3.309 20 10 CGCDRO CC(C)(C[NH2+][C@H]1CCc2cccc(O)c21)N1CCCCC1 ZINC000834487943 634173089 /nfs/dbraw/zinc/17/30/89/634173089.db2.gz SWHODBXNFLJUNC-HNNXBMFYSA-N 1 0 288.435 3.234 20 10 CGCDRO C[C@@H](C[NH2+][C@H]1CCc2cccc(O)c21)N(C)c1ccccc1 ZINC000834513302 634174792 /nfs/dbraw/zinc/17/47/92/634174792.db2.gz JJZUKNGCSIYRGO-YOEHRIQHSA-N 1 0 296.414 3.494 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000834588399 634191890 /nfs/dbraw/zinc/19/18/90/634191890.db2.gz BMSRWNLOXMBBNQ-CZUORRHYSA-N 1 0 284.407 3.053 20 10 CGCDRO Cc1ncc2c(n1)CCC[C@H]2[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834590843 634192913 /nfs/dbraw/zinc/19/29/13/634192913.db2.gz ZSOLSHREFNDFBW-CVEARBPZSA-N 1 0 295.386 3.145 20 10 CGCDRO Cc1ccccc1[C@H](CO)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834611620 634197378 /nfs/dbraw/zinc/19/73/78/634197378.db2.gz MQZAPQCLYALULF-HOTGVXAUSA-N 1 0 283.371 3.011 20 10 CGCDRO C[C@H](CCO)CC[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000834831957 634251931 /nfs/dbraw/zinc/25/19/31/634251931.db2.gz LWGHUVSZAKMKCX-GMXVVIOVSA-N 1 0 281.371 3.078 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)cc1C ZINC000873132986 634254021 /nfs/dbraw/zinc/25/40/21/634254021.db2.gz LSLSBQBKJFIGGZ-INMHGKMJSA-N 1 0 275.392 3.193 20 10 CGCDRO CCC1(C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)COC1 ZINC000834899175 634275080 /nfs/dbraw/zinc/27/50/80/634275080.db2.gz IYOSUOWDUQRIGL-CMPLNLGQSA-N 1 0 279.355 3.096 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCC[C@H]2O)c(O)c1C ZINC000834899327 634275139 /nfs/dbraw/zinc/27/51/39/634275139.db2.gz FSLQHCVFYHOTQE-IJEWVQPXSA-N 1 0 277.408 3.211 20 10 CGCDRO CCc1nc(C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)co1 ZINC000834899389 634275763 /nfs/dbraw/zinc/27/57/63/634275763.db2.gz PNZXSZLQICZRRQ-LBPRGKRZSA-N 1 0 274.364 3.410 20 10 CGCDRO CCCc1ncc(C[NH2+][C@@H](C)c2cc(C)ccc2O)o1 ZINC000834900456 634276897 /nfs/dbraw/zinc/27/68/97/634276897.db2.gz PXUNRKKVBCTWRK-LBPRGKRZSA-N 1 0 274.364 3.492 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@@H](O)c1ccccc1 ZINC000873193660 634279136 /nfs/dbraw/zinc/27/91/36/634279136.db2.gz NJPITOONURHELN-OALUTQOASA-N 1 0 298.430 3.354 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1COCC1(C)C)c1ccc(N(C)C)cc1 ZINC000834903536 634279729 /nfs/dbraw/zinc/27/97/29/634279729.db2.gz JUGDPDWGHZPGPO-JKSUJKDBSA-N 1 0 276.424 3.218 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCOC(C)(C)C2)c1 ZINC000834908288 634283112 /nfs/dbraw/zinc/28/31/12/634283112.db2.gz DQUFJVYCMDZEQN-QWHCGFSZSA-N 1 0 293.407 3.257 20 10 CGCDRO Cc1cnc(CC[NH2+][C@@H](C)c2ccc(C)c(C)c2O)cn1 ZINC000834910714 634285455 /nfs/dbraw/zinc/28/54/55/634285455.db2.gz YGXQJGUAYRHDAT-AWEZNQCLSA-N 1 0 285.391 3.001 20 10 CGCDRO Cc1cccc(C[NH2+]C/C=C\c2ccc(N(C)C)cc2)n1 ZINC000835034678 634327345 /nfs/dbraw/zinc/32/73/45/634327345.db2.gz CLNUFOALURKPQP-ALCCZGGFSA-N 1 0 281.403 3.259 20 10 CGCDRO CCN(CC)C[C@@H](C)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835038504 634328489 /nfs/dbraw/zinc/32/84/89/634328489.db2.gz SZIHWVBKTJAPLP-HLRDLLSLSA-N 1 0 289.467 3.086 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+]CC(C)(C)CCCO)cc1 ZINC000835043671 634331362 /nfs/dbraw/zinc/33/13/62/634331362.db2.gz XPHOYFKJERBORH-FNORWQNLSA-N 1 0 290.451 3.154 20 10 CGCDRO CCc1noc(C)c1C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835055931 634339633 /nfs/dbraw/zinc/33/96/33/634339633.db2.gz PSEOSSFNKCXEPY-VOTSOKGWSA-N 1 0 299.418 3.414 20 10 CGCDRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2cccc(C)c2O)cc1C ZINC000835075248 634345312 /nfs/dbraw/zinc/34/53/12/634345312.db2.gz WDVYCKMVHLJCKL-SFHVURJKSA-N 1 0 299.414 3.011 20 10 CGCDRO C[C@@H]1CC[C@@H](C)[NH+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876807405 634902901 /nfs/dbraw/zinc/90/29/01/634902901.db2.gz CROCNFOETFMPQH-HUUCEWRRSA-N 1 0 288.435 3.021 20 10 CGCDRO COc1cccc(C)c1C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000876905444 634926010 /nfs/dbraw/zinc/92/60/10/634926010.db2.gz HPTSOONOQYDRDC-UHFFFAOYSA-N 1 0 284.403 3.359 20 10 CGCDRO Cc1ccc(C[NH2+]C[C@@H](c2ccsc2)N(C)C)c(O)c1 ZINC000876912390 634927651 /nfs/dbraw/zinc/92/76/51/634927651.db2.gz GNQVAXMKMIDKSF-HNNXBMFYSA-N 1 0 290.432 3.155 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H](C)Cc2ccc(O)cc2)c(O)c1 ZINC000877020177 634952832 /nfs/dbraw/zinc/95/28/32/634952832.db2.gz YRBLGLIWVLZBDF-ZDUSSCGKSA-N 1 0 271.360 3.127 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000877024993 634953690 /nfs/dbraw/zinc/95/36/90/634953690.db2.gz VWGUUHCSOPHEDD-AWEZNQCLSA-N 1 0 283.371 3.357 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]CCCSc2nccs2)CS1 ZINC000877062180 634967598 /nfs/dbraw/zinc/96/75/98/634967598.db2.gz ZWOLNAAZOUEPNZ-NXEZZACHSA-N 1 0 274.480 3.109 20 10 CGCDRO CCO[C@H](CC[NH2+]Cc1ccc(C)cc1O)C(C)C ZINC000877083193 634977929 /nfs/dbraw/zinc/97/79/29/634977929.db2.gz JLWQAZIIHDWJPU-MRXNPFEDSA-N 1 0 265.397 3.241 20 10 CGCDRO COc1cccc2c1CC[C@@H]2[NH2+]Cc1ccc(C)cc1O ZINC000877093483 634982635 /nfs/dbraw/zinc/98/26/35/634982635.db2.gz IFLAXHDZBWRJER-INIZCTEOSA-N 1 0 283.371 3.486 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]C[C@@H](c1ccccc1)N(C)C ZINC000877142525 635000303 /nfs/dbraw/zinc/00/03/03/635000303.db2.gz RIMRQMAVCNSXGZ-KRWDZBQOSA-N 1 0 284.403 3.093 20 10 CGCDRO CCn1ccc(C[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)n1 ZINC000840840163 635062237 /nfs/dbraw/zinc/06/22/37/635062237.db2.gz GNSMIUFAXYMSGA-ZDUSSCGKSA-N 1 0 299.418 3.338 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000877523987 635072514 /nfs/dbraw/zinc/07/25/14/635072514.db2.gz OVDXVQODKPEGET-MRXNPFEDSA-N 1 0 268.360 3.433 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CC(C)(C)CCCO)c(Cl)c1 ZINC000840907292 635079766 /nfs/dbraw/zinc/07/97/66/635079766.db2.gz BXRNTSKBBXGODO-UHFFFAOYSA-N 1 0 285.815 3.242 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000877542143 635081093 /nfs/dbraw/zinc/08/10/93/635081093.db2.gz WNBZUWUUQQPQAS-IRXDYDNUSA-N 1 0 287.403 3.234 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@H+](C)Cc1ccccc1O ZINC000840911400 635081166 /nfs/dbraw/zinc/08/11/66/635081166.db2.gz ZGVNHCKKXXJJDI-UHFFFAOYSA-N 1 0 284.403 3.399 20 10 CGCDRO CCCc1nc(C)c(C[NH2+]Cc2ccc(C)cc2O)o1 ZINC000877547953 635083960 /nfs/dbraw/zinc/08/39/60/635083960.db2.gz PAWMOXIPUKWECV-UHFFFAOYSA-N 1 0 274.364 3.239 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000840935720 635085188 /nfs/dbraw/zinc/08/51/88/635085188.db2.gz BKXAQBBFBASAFI-OAHLLOKOSA-N 1 0 276.424 3.108 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCC(C)(C)O2)c(Cl)c1 ZINC000840939997 635086464 /nfs/dbraw/zinc/08/64/64/635086464.db2.gz RVSTZBAWUFYQCI-NSHDSACASA-N 1 0 283.799 3.401 20 10 CGCDRO CSC1(C[NH2+]Cc2c(O)cc(C)cc2Cl)CC1 ZINC000840940529 635087492 /nfs/dbraw/zinc/08/74/92/635087492.db2.gz DWECFZODRBGHSY-UHFFFAOYSA-N 1 0 271.813 3.339 20 10 CGCDRO CO[C@]1(C)CCC[N@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000840940985 635088082 /nfs/dbraw/zinc/08/80/82/635088082.db2.gz LXHNKAMKOLCYAV-QGZVFWFLSA-N 1 0 276.424 3.062 20 10 CGCDRO CO[C@H]1CC[N@H+](Cc2c(O)cc(C)cc2Cl)C[C@H]1C ZINC000840949937 635090614 /nfs/dbraw/zinc/09/06/14/635090614.db2.gz DGWOXCISJHQZDJ-ABAIWWIYSA-N 1 0 283.799 3.211 20 10 CGCDRO COC1(CC[NH2+]Cc2c(O)cc(C)cc2Cl)CCC1 ZINC000840949083 635091550 /nfs/dbraw/zinc/09/15/50/635091550.db2.gz NSHOPMNOYPQXLU-UHFFFAOYSA-N 1 0 283.799 3.403 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CC(C)(C)OCC2CC2)cc1C ZINC000840960646 635094104 /nfs/dbraw/zinc/09/41/04/635094104.db2.gz RKHYBNSPVXPHIR-UHFFFAOYSA-N 1 0 277.408 3.304 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1cccnc1C ZINC000840975004 635098213 /nfs/dbraw/zinc/09/82/13/635098213.db2.gz BDKUNIJRAHABKH-HNNXBMFYSA-N 1 0 297.446 3.485 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1ccncc1 ZINC000840975080 635098359 /nfs/dbraw/zinc/09/83/59/635098359.db2.gz CMDWAKRGNWRJNF-HNNXBMFYSA-N 1 0 283.419 3.177 20 10 CGCDRO Cc1nocc1C[NH2+][C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000840977182 635099486 /nfs/dbraw/zinc/09/94/86/635099486.db2.gz UGMDUAAQNHDUKR-ZDUSSCGKSA-N 1 0 287.407 3.078 20 10 CGCDRO Cc1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2c2ccccc2)c(O)c1 ZINC000877588572 635104577 /nfs/dbraw/zinc/10/45/77/635104577.db2.gz SRYGOIQFOQYCPC-IAGOWNOFSA-N 1 0 283.371 3.009 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)c(O)c1 ZINC000877604126 635107901 /nfs/dbraw/zinc/10/79/01/635107901.db2.gz XFOCHGHYIOMUBB-HOTGVXAUSA-N 1 0 275.392 3.092 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H](C)[C@@](C)(O)c2ccccc2)c(O)c1 ZINC000877610459 635111304 /nfs/dbraw/zinc/11/13/04/635111304.db2.gz PGSCGSVGONPLDK-KBXCAEBGSA-N 1 0 285.387 3.086 20 10 CGCDRO Nc1ccc(CC[NH2+]Cc2ccccc2OCC2CC2)cc1 ZINC000841035247 635111463 /nfs/dbraw/zinc/11/14/63/635111463.db2.gz GVQLMCXZPALELN-UHFFFAOYSA-N 1 0 296.414 3.390 20 10 CGCDRO CN(C)c1ccc([C@@H](N)C[NH2+]C2CCCCCC2)cc1 ZINC000841044538 635113241 /nfs/dbraw/zinc/11/32/41/635113241.db2.gz CODXVXUMSDRGNA-KRWDZBQOSA-N 1 0 275.440 3.065 20 10 CGCDRO C[C@@H]1CCC[C@H]([NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)[C@@H]1C ZINC000841046104 635114685 /nfs/dbraw/zinc/11/46/85/635114685.db2.gz WFKGQDSJGFPCSG-DTDBQYNISA-N 1 0 289.467 3.167 20 10 CGCDRO Nc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccccc1O ZINC000841057470 635115520 /nfs/dbraw/zinc/11/55/20/635115520.db2.gz HRSHUNKSXQJZIZ-INIZCTEOSA-N 1 0 268.360 3.142 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)c(O)c1 ZINC000877641200 635127636 /nfs/dbraw/zinc/12/76/36/635127636.db2.gz WJLJDZPIMCYTGC-CGTJXYLNSA-N 1 0 283.346 3.268 20 10 CGCDRO Cc1ccc(C[NH2+]C[C@@H]2CCN2Cc2ccccc2)c(O)c1 ZINC000877639329 635127718 /nfs/dbraw/zinc/12/77/18/635127718.db2.gz GLKXIGRGKQGHBP-SFHVURJKSA-N 1 0 296.414 3.065 20 10 CGCDRO Cc1ccc(C[NH+]2CC(Cc3ccsc3)C2)c(O)c1 ZINC000877646755 635129993 /nfs/dbraw/zinc/12/99/93/635129993.db2.gz NFNBPLQZUMDSSH-UHFFFAOYSA-N 1 0 273.401 3.437 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H](c2ccc(O)cc2)C1 ZINC000877660101 635135513 /nfs/dbraw/zinc/13/55/13/635135513.db2.gz JELCHWBVVHNSAX-HNNXBMFYSA-N 1 0 283.371 3.396 20 10 CGCDRO Cc1ccc(C[NH+]2CC(Cc3cccs3)C2)c(O)c1 ZINC000877659546 635135524 /nfs/dbraw/zinc/13/55/24/635135524.db2.gz VZSPJAIHFZXBGE-UHFFFAOYSA-N 1 0 273.401 3.437 20 10 CGCDRO CSC1CC[NH+](Cc2cccc(C)c2O)CC1 ZINC000877663287 635137986 /nfs/dbraw/zinc/13/79/86/635137986.db2.gz NXDJCFRRIOYHJB-UHFFFAOYSA-N 1 0 251.395 3.028 20 10 CGCDRO CCC[C@@H](CCO)[NH2+]Cc1ccc2ccccc2c1O ZINC000877666713 635138638 /nfs/dbraw/zinc/13/86/38/635138638.db2.gz GWXCDVUWTGGRJI-HNNXBMFYSA-N 1 0 273.376 3.186 20 10 CGCDRO Oc1ccccc1C[N@H+]1CC[C@@H](O)C[C@@H]1c1ccccc1 ZINC000877673796 635141561 /nfs/dbraw/zinc/14/15/61/635141561.db2.gz RMDGFCSRZMCDRX-IAGOWNOFSA-N 1 0 283.371 3.090 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H](O)C[C@@H]2c2ccccc2)c1 ZINC000877674888 635142165 /nfs/dbraw/zinc/14/21/65/635142165.db2.gz WKEFTADYIZTCKA-ZWKOTPCHSA-N 1 0 297.398 3.399 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2cccc3c2CCOC3)c(O)c1 ZINC000877698121 635150338 /nfs/dbraw/zinc/15/03/38/635150338.db2.gz PWPPLKBNVRWNNL-UHFFFAOYSA-N 1 0 283.371 3.063 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H](C2CCC2)[C@H]2CCCO2)c1O ZINC000877701365 635152739 /nfs/dbraw/zinc/15/27/39/635152739.db2.gz SKUOTKOCRLJHTL-CVEARBPZSA-N 1 0 275.392 3.138 20 10 CGCDRO CCOc1cccc(C[N@@H+]2Cc3cccc(O)c3C2)c1O ZINC000877703761 635154962 /nfs/dbraw/zinc/15/49/62/635154962.db2.gz SUUDLFFMDZVMED-UHFFFAOYSA-N 1 0 285.343 3.012 20 10 CGCDRO COc1cc(C)ccc1C[N@@H+]1Cc2cccc(O)c2C1 ZINC000877703279 635155469 /nfs/dbraw/zinc/15/54/69/635155469.db2.gz ZRNNIWXMAUYLMV-UHFFFAOYSA-N 1 0 269.344 3.225 20 10 CGCDRO COc1ccc(C[N@@H+]2Cc3cccc(O)c3C2)cc1C ZINC000877704049 635155721 /nfs/dbraw/zinc/15/57/21/635155721.db2.gz YGSYMZXBQYIAJT-UHFFFAOYSA-N 1 0 269.344 3.225 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]CC(C)(C)C(C)(F)F ZINC000877731056 635167066 /nfs/dbraw/zinc/16/70/66/635167066.db2.gz MMTZNWHWSXNKNV-UHFFFAOYSA-N 1 0 257.324 3.472 20 10 CGCDRO CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@H](C)c3ccccc3O)C[C@H]2C1 ZINC000877755905 635184202 /nfs/dbraw/zinc/18/42/02/635184202.db2.gz SEOLSUIVZGIJSN-QMIVOQANSA-N 1 0 275.392 3.246 20 10 CGCDRO CC(C)n1cncc1C[NH2+][C@H](C)c1ccccc1O ZINC000877755688 635184628 /nfs/dbraw/zinc/18/46/28/635184628.db2.gz LOXFFXDJFGAPBN-GFCCVEGCSA-N 1 0 259.353 3.020 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H](C)c2ccccc2O)c1O ZINC000877757182 635185568 /nfs/dbraw/zinc/18/55/68/635185568.db2.gz LXACJPPPUUPXCM-LBPRGKRZSA-N 1 0 257.333 3.257 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)CSCCF)c1ccccc1O ZINC000877756018 635185709 /nfs/dbraw/zinc/18/57/09/635185709.db2.gz YXSDQZCKVBYJPB-WDEREUQCSA-N 1 0 257.374 3.134 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](C)c2ccccc2O)c1 ZINC000877757060 635185925 /nfs/dbraw/zinc/18/59/25/635185925.db2.gz DFTBPXWBYLFSIU-LBPRGKRZSA-N 1 0 287.359 3.347 20 10 CGCDRO C[C@H]([NH2+]CCOCC(F)(F)F)c1ccc(Cl)cc1O ZINC000841746594 635222357 /nfs/dbraw/zinc/22/23/57/635222357.db2.gz IZLFTSXEWVJOGO-QMMMGPOBSA-N 1 0 297.704 3.275 20 10 CGCDRO C[C@H]([NH2+]CCN1CC[C@H](C)C1)c1ccc(Cl)cc1O ZINC000841748550 635223741 /nfs/dbraw/zinc/22/37/41/635223741.db2.gz AOHGNAUVRYXCGG-RYUDHWBXSA-N 1 0 282.815 3.038 20 10 CGCDRO CC(C)N(C)CC[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841747632 635223797 /nfs/dbraw/zinc/22/37/97/635223797.db2.gz RTWWSKGMWZXERK-NSHDSACASA-N 1 0 270.804 3.036 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1ccc(Cl)cc1O ZINC000841748188 635224217 /nfs/dbraw/zinc/22/42/17/635224217.db2.gz IHFRHMQYLBBWDF-TVQRCGJNSA-N 1 0 291.782 3.497 20 10 CGCDRO C[C@H]([NH2+]C1CC(F)(F)C1)c1ccc(Cl)cc1O ZINC000841753853 635226886 /nfs/dbraw/zinc/22/68/86/635226886.db2.gz XHZBDSZUUMRLAZ-ZETCQYMHSA-N 1 0 261.699 3.494 20 10 CGCDRO CCc1cc(C[NH2+][C@@H](C)c2ccc(Cl)cc2O)on1 ZINC000841753676 635227476 /nfs/dbraw/zinc/22/74/76/635227476.db2.gz FRQOVMHIHRGMFC-VIFPVBQESA-N 1 0 280.755 3.447 20 10 CGCDRO CO[C@@H](C[NH2+][C@H](C)c1ccc(C)cc1O)CC(C)C ZINC000841755662 635229629 /nfs/dbraw/zinc/22/96/29/635229629.db2.gz KYCSBULAKHFACB-ZIAGYGMSSA-N 1 0 265.397 3.412 20 10 CGCDRO C[C@@H]([NH2+][C@H]1C[C@@](C)(O)C1)c1ccc(N2CCCCC2)cc1 ZINC000841759778 635232776 /nfs/dbraw/zinc/23/27/76/635232776.db2.gz QFIBWUJUHWNKEA-KYJSFNMBSA-N 1 0 288.435 3.241 20 10 CGCDRO CO[C@@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841759024 635233217 /nfs/dbraw/zinc/23/32/17/635233217.db2.gz WZOUTKXPLUZUIV-UTLUCORTSA-N 1 0 257.761 3.120 20 10 CGCDRO FC(F)Oc1ccc2c(c1)CCCN2CC[C@@H]1CC[NH2+]C1 ZINC000842472384 635377701 /nfs/dbraw/zinc/37/77/01/635377701.db2.gz XNGGIZABPVPOAN-LBPRGKRZSA-N 1 0 296.361 3.040 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@H+]2CC[C@@H](OC(C)C)C2)c1 ZINC000842611236 635419027 /nfs/dbraw/zinc/41/90/27/635419027.db2.gz JIQXACIJBPAWRP-OAHLLOKOSA-N 1 0 263.381 3.008 20 10 CGCDRO FC1CCC(C[NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000842773921 635468623 /nfs/dbraw/zinc/46/86/23/635468623.db2.gz AYIDSJIVPQEWTB-UHFFFAOYSA-N 1 0 263.356 3.239 20 10 CGCDRO Cc1cc(CN(C)Cc2ccns2)ccc1N(C)C ZINC000878899609 635653189 /nfs/dbraw/zinc/65/31/89/635653189.db2.gz MDGCOYDFJSBKQT-UHFFFAOYSA-N 1 0 275.421 3.150 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)cc1 ZINC000843420673 635664749 /nfs/dbraw/zinc/66/47/49/635664749.db2.gz CGCZZACDZSKFOO-AEFFLSMTSA-N 1 0 288.435 3.144 20 10 CGCDRO CN(C)c1ccc(C[NH+]2CC(C)(CC(F)F)C2)cc1 ZINC000843424594 635669969 /nfs/dbraw/zinc/66/99/69/635669969.db2.gz CZKZROPEJQDPHB-UHFFFAOYSA-N 1 0 268.351 3.230 20 10 CGCDRO CC(=O)c1cc(F)cc(C[NH+]2CCC(C)(F)CC2)c1O ZINC000879380980 635773239 /nfs/dbraw/zinc/77/32/39/635773239.db2.gz GKTVHPSJEOSSDJ-UHFFFAOYSA-N 1 0 283.318 3.058 20 10 CGCDRO Cc1cccc(NC(=O)C[NH2+][C@H](C)c2ccccc2O)c1C ZINC000879649821 635826524 /nfs/dbraw/zinc/82/65/24/635826524.db2.gz VUDVYALEUFIMJH-CQSZACIVSA-N 1 0 298.386 3.298 20 10 CGCDRO CC1(C)C[N@H+](Cc2c(O)cccc2Cl)CCS1 ZINC000128086983 635883764 /nfs/dbraw/zinc/88/37/64/635883764.db2.gz SAGQBSDGFSPAAW-UHFFFAOYSA-N 1 0 271.813 3.373 20 10 CGCDRO COc1ccc(N(C)CC[N@H+](C)[C@@H](C)c2ccccn2)cc1 ZINC000844401258 635891312 /nfs/dbraw/zinc/89/13/12/635891312.db2.gz LEERSMZLIVNKSI-HNNXBMFYSA-N 1 0 299.418 3.219 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+][C@H]1CNc2ccccc2C1 ZINC000844907676 635980762 /nfs/dbraw/zinc/98/07/62/635980762.db2.gz LSMDVTNLRILATR-GFCCVEGCSA-N 1 0 288.778 3.172 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+][C@@H]1CNc3ccccc3C1)CC2 ZINC000844919104 635983107 /nfs/dbraw/zinc/98/31/07/635983107.db2.gz CKHKSZUJCSGTDQ-HOCLYGCPSA-N 1 0 280.371 3.006 20 10 CGCDRO COC[C@@H](CC(C)(C)C)[NH2+][C@@H](C)c1ccccc1O ZINC000845988871 636126904 /nfs/dbraw/zinc/12/69/04/636126904.db2.gz BOFMJKLQCXEXNF-QWHCGFSZSA-N 1 0 265.397 3.494 20 10 CGCDRO Cc1cccc(C[NH2+][C@H](c2ccccc2F)[C@H](C)O)c1O ZINC000846017498 636130475 /nfs/dbraw/zinc/13/04/75/636130475.db2.gz ORCAVHXVYSPSDA-LRDDRELGSA-N 1 0 289.350 3.051 20 10 CGCDRO CC[N@H+](Cc1cc(C)c(C)cc1O)[C@H]1CCCOC1 ZINC000846053159 636139144 /nfs/dbraw/zinc/13/91/44/636139144.db2.gz SRUFMHSFGLAWBO-HNNXBMFYSA-N 1 0 263.381 3.010 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]Cc2nc(C)cs2)c1O ZINC000846138992 636148784 /nfs/dbraw/zinc/14/87/84/636148784.db2.gz NVCCUBZZIYWPPB-SNVBAGLBSA-N 1 0 278.377 3.017 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+][C@H](C)c2cccnc2)c1O ZINC000846137278 636148827 /nfs/dbraw/zinc/14/88/27/636148827.db2.gz MYKXDNWMJMCADB-VXGBXAGGSA-N 1 0 272.348 3.208 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](C)c2cccc(OC)c2O)cc1 ZINC000846136574 636148907 /nfs/dbraw/zinc/14/89/07/636148907.db2.gz HRIAWIRVWCGCLQ-LBPRGKRZSA-N 1 0 287.359 3.260 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]CCN(C(C)C)C(C)C)c1O ZINC000846138158 636148912 /nfs/dbraw/zinc/14/89/12/636148912.db2.gz UAKUZEGXOIYPIC-CQSZACIVSA-N 1 0 294.439 3.170 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)CC(C)(C)OC)c1O ZINC000846143547 636149426 /nfs/dbraw/zinc/14/94/26/636149426.db2.gz COCXOGRJSMSOQV-RYUDHWBXSA-N 1 0 281.396 3.255 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@H](C)CCSC)c1O ZINC000846145858 636149658 /nfs/dbraw/zinc/14/96/58/636149658.db2.gz PKWMZCATWJGZIX-MNOVXSKESA-N 1 0 269.410 3.193 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]CCCc2nccs2)c1O ZINC000846155904 636150563 /nfs/dbraw/zinc/15/05/63/636150563.db2.gz QUCBYXZRCYGBFG-LLVKDONJSA-N 1 0 292.404 3.141 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2[C@H](C)[C@H](OC)C2(C)C)c1O ZINC000846159438 636151093 /nfs/dbraw/zinc/15/10/93/636151093.db2.gz OKMVEEPHALUCDJ-QMMBQJITSA-N 1 0 293.407 3.111 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@H](C)CC(F)(F)F)c1O ZINC000846164193 636151286 /nfs/dbraw/zinc/15/12/86/636151286.db2.gz NCMOBYIJHFLDRH-BDAKNGLRSA-N 1 0 277.286 3.392 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]CC2(C(F)(F)F)CC2)c1O ZINC000846170568 636152736 /nfs/dbraw/zinc/15/27/36/636152736.db2.gz LZZHGKHBDJIXEZ-VIFPVBQESA-N 1 0 289.297 3.394 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]C[C@H]2CCCSC2)c1O ZINC000846171002 636153076 /nfs/dbraw/zinc/15/30/76/636153076.db2.gz NZJMAWUEOBIBBW-VXGBXAGGSA-N 1 0 281.421 3.195 20 10 CGCDRO C[C@@H]([NH2+][C@H](C1CC1)C1CCOCC1)c1cc(F)ccc1O ZINC000846188951 636156219 /nfs/dbraw/zinc/15/62/19/636156219.db2.gz RGQHPVYZDNIWNG-PIGZYNQJSA-N 1 0 293.382 3.387 20 10 CGCDRO C[C@H](COCC1CC1)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000846206119 636158584 /nfs/dbraw/zinc/15/85/84/636158584.db2.gz VNVSDCDNSRRRQV-ZIAGYGMSSA-N 1 0 276.424 3.218 20 10 CGCDRO Cc1cc(C[N@@H+](C)[C@@H]2CCOC2)c(O)c(C(C)(C)C)c1 ZINC000106857821 636388712 /nfs/dbraw/zinc/38/87/12/636388712.db2.gz FOXQIKXGJKCKKV-CQSZACIVSA-N 1 0 277.408 3.219 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](C)C(=O)OC(C)(C)C)c1ccccc1O ZINC000848563156 636607252 /nfs/dbraw/zinc/60/72/52/636607252.db2.gz QAPJSAWFUCCZNN-OCCSQVGLSA-N 1 0 293.407 3.411 20 10 CGCDRO C[C@@H](Cc1ccccn1)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000848567039 636609496 /nfs/dbraw/zinc/60/94/96/636609496.db2.gz PAIKZWSGNLZHGI-INIZCTEOSA-N 1 0 295.430 3.403 20 10 CGCDRO CC[C@@H]([NH2+][C@H]1c2ccccc2C[C@@H]1O)c1ccc(C)cc1O ZINC000848566380 636609573 /nfs/dbraw/zinc/60/95/73/636609573.db2.gz WICZUIPVHRLKCL-NEWSRXKRSA-N 1 0 297.398 3.400 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)c1ccccc1O)[C@@H]1CCCCO1 ZINC000848567867 636610341 /nfs/dbraw/zinc/61/03/41/636610341.db2.gz RHENRQHEOPWVKB-NOLJZWGESA-N 1 0 263.381 3.391 20 10 CGCDRO CO[C@H]1C[C@H](C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)C1 ZINC000883272290 636642992 /nfs/dbraw/zinc/64/29/92/636642992.db2.gz JBMZPBBLZJWPEE-GVXVVHGQSA-N 1 0 283.799 3.430 20 10 CGCDRO CCc1cccc(C[NH2+][C@H](C)Cc2ccc(O)cc2)c1O ZINC000848895612 636679088 /nfs/dbraw/zinc/67/90/88/636679088.db2.gz OPNJZFLRGKYGQL-CYBMUJFWSA-N 1 0 285.387 3.381 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H](COC)c2ccccc2)c1O ZINC000848894948 636679206 /nfs/dbraw/zinc/67/92/06/636679206.db2.gz ISTXSSHJAFGZCG-KRWDZBQOSA-N 1 0 285.387 3.432 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@](C)(O)c2cccs2)c1O ZINC000848897279 636679698 /nfs/dbraw/zinc/67/96/98/636679698.db2.gz NXMNMZHFTSKUFI-INIZCTEOSA-N 1 0 291.416 3.013 20 10 CGCDRO CCc1cccc(C[NH2+]CC2(CCOC)CCC2)c1O ZINC000848897091 636679846 /nfs/dbraw/zinc/67/98/46/636679846.db2.gz FAJNIXRHABIMRK-UHFFFAOYSA-N 1 0 277.408 3.251 20 10 CGCDRO CCc1cccc(C[NH2+]Cc2ccc([C@H](C)O)cc2)c1O ZINC000848895777 636680026 /nfs/dbraw/zinc/68/00/26/636680026.db2.gz XOWZCQPPAGDZML-ZDUSSCGKSA-N 1 0 285.387 3.298 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@](C)(O)CCC(C)C)c1O ZINC000848896954 636680084 /nfs/dbraw/zinc/68/00/84/636680084.db2.gz LFMWCWZYZDJUFS-QGZVFWFLSA-N 1 0 279.424 3.231 20 10 CGCDRO CCc1cccc(C[NH2+]CCC[C@H]2CCCC[C@H]2O)c1O ZINC000848899684 636680654 /nfs/dbraw/zinc/68/06/54/636680654.db2.gz SDRHNCFAIIIPPE-NVXWUHKLSA-N 1 0 291.435 3.376 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCOCC3(CCCC3)C2)c1O ZINC000848903908 636684140 /nfs/dbraw/zinc/68/41/40/636684140.db2.gz GOXBPSYNKIYIEP-UHFFFAOYSA-N 1 0 289.419 3.347 20 10 CGCDRO CCc1cccc(C[NH2+][C@H](CCO)Cc2ccccc2)c1O ZINC000848909482 636686160 /nfs/dbraw/zinc/68/61/60/636686160.db2.gz VABAKVVXBPEHPV-GOSISDBHSA-N 1 0 299.414 3.038 20 10 CGCDRO CCc1cccc(C[N@@H+]2CC[C@]3(CC3(F)F)C2)c1O ZINC000848919032 636691235 /nfs/dbraw/zinc/69/12/35/636691235.db2.gz QRCZCFUHKCAJLV-AWEZNQCLSA-N 1 0 267.319 3.186 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)Cc1ccccn1 ZINC000848926728 636699251 /nfs/dbraw/zinc/69/92/51/636699251.db2.gz XIEWRVVIIXNJLO-HNNXBMFYSA-N 1 0 283.419 3.177 20 10 CGCDRO C[C@@H]([NH2+]C1CCC2(COC2)CC1)c1ccccc1O ZINC000883379706 636720954 /nfs/dbraw/zinc/72/09/54/636720954.db2.gz KWRICEQNPMCZCX-GFCCVEGCSA-N 1 0 261.365 3.002 20 10 CGCDRO C[C@H]([NH2+]C1CCC2(COC2)CC1)c1ccc(N(C)C)cc1 ZINC000883378590 636721481 /nfs/dbraw/zinc/72/14/81/636721481.db2.gz RNAHTCMVNBESCC-AWEZNQCLSA-N 1 0 288.435 3.362 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C2CCC3(COC3)CC2)c1 ZINC000883380999 636722632 /nfs/dbraw/zinc/72/26/32/636722632.db2.gz DWTOTGFJFRQOCL-GFCCVEGCSA-N 1 0 291.391 3.011 20 10 CGCDRO COc1cccc(C[N@H+](C)[C@H]2CCC[C@@H](C)C2)c1O ZINC000132745387 636834829 /nfs/dbraw/zinc/83/48/29/636834829.db2.gz GQIMMXLXVFUHAN-OCCSQVGLSA-N 1 0 263.381 3.411 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2COC(C)(C)C2)c(Cl)c1 ZINC000850342391 637020541 /nfs/dbraw/zinc/02/05/41/637020541.db2.gz RBQLGNJBFCLJIP-JTQLQIEISA-N 1 0 269.772 3.011 20 10 CGCDRO CC[C@H](COCC1CC1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC000850349710 637022757 /nfs/dbraw/zinc/02/27/57/637022757.db2.gz JAVVMCFDADUONN-MRXNPFEDSA-N 1 0 277.408 3.298 20 10 CGCDRO OC[C@@H]([NH2+]Cc1cc(-c2ccccc2)ccc1O)C1CCC1 ZINC000850349205 637022825 /nfs/dbraw/zinc/02/28/25/637022825.db2.gz AEYCYBSQIBUAIP-GOSISDBHSA-N 1 0 297.398 3.310 20 10 CGCDRO Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1O)CC2 ZINC000134445608 637023036 /nfs/dbraw/zinc/02/30/36/637023036.db2.gz GTFWHHIGFLOADD-MRXNPFEDSA-N 1 0 253.345 3.478 20 10 CGCDRO CSCC1(CC[NH2+]Cc2ccc(N(C)C)cc2)CC1 ZINC000850355836 637024650 /nfs/dbraw/zinc/02/46/50/637024650.db2.gz LFWWLHNXYKUUSJ-UHFFFAOYSA-N 1 0 278.465 3.376 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCC[C@@H](C)O2)cc1C ZINC000850379117 637039389 /nfs/dbraw/zinc/03/93/89/637039389.db2.gz FHAIUEBCSLDXSU-UKRRQHHQSA-N 1 0 263.381 3.056 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)c(Cl)c1 ZINC000850392997 637045530 /nfs/dbraw/zinc/04/55/30/637045530.db2.gz PIKGSSWQEUPKEX-WDAIWFPHSA-N 1 0 251.757 3.242 20 10 CGCDRO CCOc1ccc(C[NH2+]CC2(SCC)CC2)c(O)c1 ZINC000850393379 637045547 /nfs/dbraw/zinc/04/55/47/637045547.db2.gz BPJXAEBIOHVGFX-UHFFFAOYSA-N 1 0 281.421 3.166 20 10 CGCDRO COc1ccc(N2CCC([NH2+]CC3=CCCC3)CC2)cc1 ZINC000850396512 637047678 /nfs/dbraw/zinc/04/76/78/637047678.db2.gz XEGKOWAXDIMUAA-UHFFFAOYSA-N 1 0 286.419 3.364 20 10 CGCDRO CC(C)CCC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850406122 637050356 /nfs/dbraw/zinc/05/03/56/637050356.db2.gz SQQGPKOAMNSENF-UHFFFAOYSA-N 1 0 290.451 3.174 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCCSCC2)cc1F ZINC000850431452 637058921 /nfs/dbraw/zinc/05/89/21/637058921.db2.gz WZWOQQFZZONILC-ZDUSSCGKSA-N 1 0 282.428 3.267 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+][C@H]3CCC[C@H]4C[C@H]43)C2)cc1 ZINC000850485866 637086377 /nfs/dbraw/zinc/08/63/77/637086377.db2.gz BVFSMYMDGTWVST-ZZCKCESHSA-N 1 0 286.419 3.052 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCN(c2ccc(OC)cc2)C1)C(C)C ZINC000850488421 637087559 /nfs/dbraw/zinc/08/75/59/637087559.db2.gz MQOXREBUEZPNNN-YOEHRIQHSA-N 1 0 276.424 3.298 20 10 CGCDRO CC[C@@H]([NH2+]CCO[C@@H]1CC1(F)F)c1ccc(N(C)C)cc1 ZINC000850519445 637099919 /nfs/dbraw/zinc/09/99/19/637099919.db2.gz LTWIGAMSXWGTLC-HUUCEWRRSA-N 1 0 298.377 3.218 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCN(C2CCCCC2)C1)c1ccccc1O ZINC000850538748 637113479 /nfs/dbraw/zinc/11/34/79/637113479.db2.gz LAESSEOKSYZCDW-GJZGRUSLSA-N 1 0 288.435 3.450 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1cnn(C)c1)c1ccccc1O ZINC000850539704 637113729 /nfs/dbraw/zinc/11/37/29/637113729.db2.gz FLNVXEMQRVZNSP-YSVLISHTSA-N 1 0 299.418 3.188 20 10 CGCDRO C[C@H]([NH2+][C@H]1C[C@H](O)C12CCC2)c1ccc2ccccc2c1O ZINC000850545149 637115387 /nfs/dbraw/zinc/11/53/87/637115387.db2.gz FDQBMFFSSOYALB-ZLIFDBKOSA-N 1 0 297.398 3.500 20 10 CGCDRO C[C@@H](CN1CCC(C)CC1)[NH2+][C@@H](C)c1ccccc1O ZINC000850543236 637116128 /nfs/dbraw/zinc/11/61/28/637116128.db2.gz GTCTZPKAJRGFOH-GJZGRUSLSA-N 1 0 276.424 3.163 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H](CO)CC1CC1)c1ccc(C)cc1O ZINC000850546172 637116543 /nfs/dbraw/zinc/11/65/43/637116543.db2.gz XDFJSDSEKAAGQL-GDBMZVCRSA-N 1 0 277.408 3.150 20 10 CGCDRO CC[C@H]([NH2+][C@H]1C[C@H](O)C12CCC2)c1ccc(C)cc1O ZINC000850545836 637117108 /nfs/dbraw/zinc/11/71/08/637117108.db2.gz IJYXQFDBUOYYMM-BPUTZDHNSA-N 1 0 275.392 3.045 20 10 CGCDRO CCCN1CC[C@H]([NH2+][C@@H](C)c2c(C)cc(C)cc2O)C1 ZINC000850554305 637120495 /nfs/dbraw/zinc/12/04/95/637120495.db2.gz IYNIPLGLAGDFHV-GJZGRUSLSA-N 1 0 276.424 3.144 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+][C@H](C)c2nccn2C)c(O)c1 ZINC000850572294 637129720 /nfs/dbraw/zinc/12/97/20/637129720.db2.gz JIPXZGZMICNGJE-CHWSQXEVSA-N 1 0 273.380 3.154 20 10 CGCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@H](C)C[C@@H]2C)c1O ZINC000135821825 637188194 /nfs/dbraw/zinc/18/81/94/637188194.db2.gz LOLLSWCHSACFCW-ZJUUUORDSA-N 1 0 281.783 3.479 20 10 CGCDRO C[C@@H]1CCCC[C@@H]1OCC[N@H+](C)Cc1ccccc1O ZINC000109771504 637267659 /nfs/dbraw/zinc/26/76/59/637267659.db2.gz RFLVZFQAMSTFIL-PBHICJAKSA-N 1 0 277.408 3.419 20 10 CGCDRO CCC[N@H+](Cc1ccccc1O)[C@@H]1CCO[C@H](C)C1 ZINC000851792733 637505704 /nfs/dbraw/zinc/50/57/04/637505704.db2.gz RMAOURPOVYVBHQ-UKRRQHHQSA-N 1 0 263.381 3.172 20 10 CGCDRO CO[C@H](C[N@H+](C)Cc1ccccc1O)C1CCCC1 ZINC000851841608 637518716 /nfs/dbraw/zinc/51/87/16/637518716.db2.gz VQHYFQZWSLHHMK-MRXNPFEDSA-N 1 0 263.381 3.029 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CC[C@H](C)[C@@H](C)C2)c1O ZINC000219816638 637562260 /nfs/dbraw/zinc/56/22/60/637562260.db2.gz UDKOYKSKEPLTEO-STQMWFEESA-N 1 0 263.381 3.269 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)CO)cc1 ZINC000852427054 637651015 /nfs/dbraw/zinc/65/10/15/637651015.db2.gz ZOYSTPWAXTWJQX-MAUKXSAKSA-N 1 0 290.451 3.126 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CCO)cc1 ZINC000852460104 637654003 /nfs/dbraw/zinc/65/40/03/637654003.db2.gz ANGLHBCHFITHHR-QAPCUYQASA-N 1 0 290.451 3.126 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC[C@@H]2CC(C)(C)CO2)c1 ZINC000886718197 637671728 /nfs/dbraw/zinc/67/17/28/637671728.db2.gz STQNHJGJBYYWKZ-GXTWGEPZSA-N 1 0 293.407 3.257 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](C)N(C)C2CC2)cc1 ZINC000222100218 637774653 /nfs/dbraw/zinc/77/46/53/637774653.db2.gz DWNXSBVWORIYJL-OAHLLOKOSA-N 1 0 289.467 3.105 20 10 CGCDRO COc1ccc(C[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)c(O)c1 ZINC000111398371 637861444 /nfs/dbraw/zinc/86/14/44/637861444.db2.gz BDGHTDRUGAOUTR-DOTOQJQBSA-N 1 0 283.371 3.294 20 10 CGCDRO COc1ccc(C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)c(O)c1 ZINC000111398373 637861498 /nfs/dbraw/zinc/86/14/98/637861498.db2.gz BDGHTDRUGAOUTR-NVXWUHKLSA-N 1 0 283.371 3.294 20 10 CGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@H]4C[C@H]4C3)c2c1 ZINC000853577837 637869332 /nfs/dbraw/zinc/86/93/32/637869332.db2.gz JMGKYAQDHBRABX-KBPBESRZSA-N 1 0 283.371 3.396 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2C[C@H](C)O[C@](C)(C(F)F)C2)cc1C ZINC000853629835 637877238 /nfs/dbraw/zinc/87/72/38/637877238.db2.gz LSOCYTTUQIJMBQ-LRDDRELGSA-N 1 0 299.361 3.254 20 10 CGCDRO C[C@H]1C[C@@H]([NH2+]Cc2cccc(N)c2)c2c1c(F)ccc2O ZINC000854216517 638025188 /nfs/dbraw/zinc/02/51/88/638025188.db2.gz BIEBGBJWQVDJTC-IINYFYTJSA-N 1 0 286.350 3.452 20 10 CGCDRO C[C@@H](NCC12CC(C1)C[NH2+]2)c1ccc(N2CCCCC2)cc1 ZINC000854226570 638027183 /nfs/dbraw/zinc/02/71/83/638027183.db2.gz IFEVZTXZCZJTTP-MDCZIUGASA-N 1 0 299.462 3.080 20 10 CGCDRO C[NH2+]C[C@H](C)N[C@@H](CCc1ccccc1)c1ccccc1O ZINC000854232238 638029796 /nfs/dbraw/zinc/02/97/96/638029796.db2.gz OIVFPKSESFRQNV-YJBOKZPZSA-N 1 0 298.430 3.264 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cccc2c1OCO2 ZINC000924902095 638422567 /nfs/dbraw/zinc/42/25/67/638422567.db2.gz WJKIKZRCQNYHSB-LBPRGKRZSA-N 1 0 297.354 3.201 20 10 CGCDRO Cc1ccc(O)c(C[NH+]2CC(Cc3ccsc3)C2)c1 ZINC000857067610 638448678 /nfs/dbraw/zinc/44/86/78/638448678.db2.gz CBCNFFFWXAONBC-UHFFFAOYSA-N 1 0 273.401 3.437 20 10 CGCDRO Cc1ccc(CC[NH2+]Cc2cc(F)c(N(C)C)cc2F)o1 ZINC000858097101 638627022 /nfs/dbraw/zinc/62/70/22/638627022.db2.gz ZYYQRNPFVLFAIN-UHFFFAOYSA-N 1 0 294.345 3.265 20 10 CGCDRO COC1([C@H](C)[NH2+]Cc2cc(F)c(N(C)C)cc2F)CCC1 ZINC000858177346 638649365 /nfs/dbraw/zinc/64/93/65/638649365.db2.gz BLHWXYMPUUVXDH-NSHDSACASA-N 1 0 298.377 3.078 20 10 CGCDRO CN(C)c1cc(F)c(C[NH2+]C2(C3(C)CC3)CC2)cc1F ZINC000858174808 638649845 /nfs/dbraw/zinc/64/98/45/638649845.db2.gz WOZUPMXBBZCXFJ-UHFFFAOYSA-N 1 0 280.362 3.453 20 10 CGCDRO Cc1ncccc1C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000858274625 638670394 /nfs/dbraw/zinc/67/03/94/638670394.db2.gz XTJRAIWTACUOGA-XQRVVYSFSA-N 1 0 281.403 3.259 20 10 CGCDRO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000858284188 638671717 /nfs/dbraw/zinc/67/17/17/638671717.db2.gz YIDNGKLMHKMEQI-RTDYBUJBSA-N 1 0 288.435 3.167 20 10 CGCDRO CCOc1ccc(C[NH2+]C[C@H]2CCCC23CC3)c(O)c1 ZINC000858332512 638684241 /nfs/dbraw/zinc/68/42/41/638684241.db2.gz KAALAJWXWNQNOR-CQSZACIVSA-N 1 0 275.392 3.461 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@@H]1Cc3ccccc3CO1)CC2 ZINC000858452817 638723257 /nfs/dbraw/zinc/72/32/57/638723257.db2.gz GHZRSBCVSXOHIO-IRXDYDNUSA-N 1 0 295.382 3.111 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H]1CCCN1CC(F)F)c1ccccc1O ZINC000858479276 638735260 /nfs/dbraw/zinc/73/52/60/638735260.db2.gz MVWQQMAFRKZQEX-GXTWGEPZSA-N 1 0 298.377 3.162 20 10 CGCDRO CCOC(=O)C1=CC[C@@H]([NH2+][C@@H](CC)c2ccccc2O)C1 ZINC000858505649 638747579 /nfs/dbraw/zinc/74/75/79/638747579.db2.gz NYHFSIMPPORYJD-HIFRSBDPSA-N 1 0 289.375 3.085 20 10 CGCDRO CCOC(=O)C1=CC[C@H]([NH2+][C@@H](C)c2ccc(C)cc2O)C1 ZINC000858507454 638748958 /nfs/dbraw/zinc/74/89/58/638748958.db2.gz ZKKTUIMUQJICIJ-JSGCOSHPSA-N 1 0 289.375 3.003 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@]2(C)C[C@H]3C[C@H]3C2)c1 ZINC000858538763 638757645 /nfs/dbraw/zinc/75/76/45/638757645.db2.gz XUHQAWYVOBBQKU-KOFHJDLBSA-N 1 0 275.392 3.488 20 10 CGCDRO C[C@H]([NH2+][C@H]1CO[C@H](C2CC2)C1)c1ccc(Cl)cc1O ZINC000858548088 638759215 /nfs/dbraw/zinc/75/92/15/638759215.db2.gz QVLGLPCQEFJOEZ-UAKXVISKSA-N 1 0 281.783 3.264 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc[nH]c1=O)c1ccc(C)cc1O ZINC000858563398 638762639 /nfs/dbraw/zinc/76/26/39/638762639.db2.gz PVYRKHOQUQJIMK-AWEZNQCLSA-N 1 0 272.348 3.042 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)c1ccccc1O ZINC000926950923 638828702 /nfs/dbraw/zinc/82/87/02/638828702.db2.gz WVFMKBWKRRQGAA-ATZCPNFKSA-N 1 0 259.271 3.241 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCc3cccc(O)c32)CCS1 ZINC000927025605 638833304 /nfs/dbraw/zinc/83/33/04/638833304.db2.gz COGQBUPZBSFBLY-RTXFEEFZSA-N 1 0 263.406 3.253 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+][C@@H](C1CC1)[C@@H]1CCCOC1)CC2 ZINC000927065082 638836854 /nfs/dbraw/zinc/83/68/54/638836854.db2.gz DVGKGLKGRZHMSI-RKVPGOIHSA-N 1 0 287.403 3.174 20 10 CGCDRO CC(C)[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1cnn(C)c1 ZINC000927068442 638837660 /nfs/dbraw/zinc/83/76/60/638837660.db2.gz JEBWRUVUPYLOPN-MEDUHNTESA-N 1 0 291.370 3.313 20 10 CGCDRO CCc1onc(C)c1C[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000927135520 638846214 /nfs/dbraw/zinc/84/62/14/638846214.db2.gz TUFAOXZZZQDKEM-JTQLQIEISA-N 1 0 290.363 3.110 20 10 CGCDRO C[C@H]1SCC[N@H+](Cc2cc3c(cc2O)CCC3)[C@H]1C ZINC000118381785 639599639 /nfs/dbraw/zinc/59/96/39/639599639.db2.gz JYSJMPTVKGCDED-NWDGAFQWSA-N 1 0 277.433 3.207 20 10 CGCDRO CC[C@@H]([NH2+]CCN1CCCCCC1)c1ccccc1O ZINC000040767189 639895856 /nfs/dbraw/zinc/89/58/56/639895856.db2.gz OCBSHKXNPQDGHC-MRXNPFEDSA-N 1 0 276.424 3.309 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](CO)CC(C)C)cc1 ZINC000040774850 639896610 /nfs/dbraw/zinc/89/66/10/639896610.db2.gz AQOQHSQTFOYATQ-MRXNPFEDSA-N 1 0 278.440 3.029 20 10 CGCDRO Cc1ccc(O)c(C[N@H+]2CCN(C)C[C@@H]2c2ccccc2)c1 ZINC000155211555 639924199 /nfs/dbraw/zinc/92/41/99/639924199.db2.gz ZMFUDLLGVCBXKL-GOSISDBHSA-N 1 0 296.414 3.189 20 10 CGCDRO CC[C@H]([NH2+][C@H]1COc2ccccc2C1)c1ccccc1O ZINC000155437530 639935721 /nfs/dbraw/zinc/93/57/21/639935721.db2.gz MXUOZXWSLFSMFW-ZBFHGGJFSA-N 1 0 283.371 3.437 20 10 CGCDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000158934470 640024762 /nfs/dbraw/zinc/02/47/62/640024762.db2.gz IQVMLARSVWXCTI-CQSZACIVSA-N 1 0 292.398 3.037 20 10 CGCDRO C[C@@H](Cc1ccsc1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000048556932 640059279 /nfs/dbraw/zinc/05/92/79/640059279.db2.gz LHMSACKOGIMZQX-LBPRGKRZSA-N 1 0 273.401 3.404 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CCc2ccc(F)c(F)c2)cc1 ZINC000190286666 640237513 /nfs/dbraw/zinc/23/75/13/640237513.db2.gz ZHDCLTYDMFVIMW-UHFFFAOYSA-N 1 0 290.357 3.363 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CCS[C@@H](C)CC2)c1O ZINC000191665300 640327748 /nfs/dbraw/zinc/32/77/48/640327748.db2.gz FZDYVPGFVNUIKS-LBPRGKRZSA-N 1 0 281.421 3.037 20 10 CGCDRO COc1cc(C)cc(C[N@H+](C)Cc2ccccc2F)c1O ZINC000192478446 640373050 /nfs/dbraw/zinc/37/30/50/640373050.db2.gz DMGHONPDSWBXCV-UHFFFAOYSA-N 1 0 289.350 3.480 20 10 CGCDRO Cc1csc(CC[NH2+]Cc2c(O)cccc2Cl)n1 ZINC000083551857 640596622 /nfs/dbraw/zinc/59/66/22/640596622.db2.gz KHQAEDDLKXUOAS-UHFFFAOYSA-N 1 0 282.796 3.143 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2CCCCC[C@H]2C)c(O)c1 ZINC000088507700 640618939 /nfs/dbraw/zinc/61/89/39/640618939.db2.gz PBEFIBVBSRXJGZ-DOMZBBRYSA-N 1 0 263.381 3.459 20 10 CGCDRO COc1cc(C[N@@H+]2CCS[C@@H](C)[C@H]2C)c(O)cc1C ZINC000245542145 640625522 /nfs/dbraw/zinc/62/55/22/640625522.db2.gz PLFVIFAKGXEPJP-NEPJUHHUSA-N 1 0 281.421 3.035 20 10 CGCDRO COc1ccc(N2CCC[N@@H+]([C@@H]3C=CCCC3)CC2)cc1 ZINC000246223816 640665560 /nfs/dbraw/zinc/66/55/60/640665560.db2.gz FAQKIBCCRSNPMA-MRXNPFEDSA-N 1 0 286.419 3.316 20 10 CGCDRO C[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000092586217 640740591 /nfs/dbraw/zinc/74/05/91/640740591.db2.gz POFXACPLAMFAAU-INIZCTEOSA-N 1 0 288.435 3.145 20 10 CGCDRO C[C@@H]([NH2+]CCN1CCCC[C@@H]1C)c1ccc(F)cc1[O-] ZINC000248519062 640765442 /nfs/dbraw/zinc/76/54/42/640765442.db2.gz QHPUBKUMMJLVFP-QWHCGFSZSA-N 1 0 280.387 3.056 20 10 CGCDRO CCC[C@H]1CCC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000093704771 640779865 /nfs/dbraw/zinc/77/98/65/640779865.db2.gz HUUORNLWTMLEAF-ZDUSSCGKSA-N 1 0 263.381 3.413 20 10 CGCDRO C[C@H]([NH2+]Cc1ccsc1)c1cc(F)ccc1O ZINC000094618177 640799641 /nfs/dbraw/zinc/79/96/41/640799641.db2.gz BGRIMNWJXMCJRC-VIFPVBQESA-N 1 0 251.326 3.444 20 10 CGCDRO CC[C@H](C[NH2+]Cc1c(O)cccc1Cl)N1CCCC1 ZINC000113320582 640974749 /nfs/dbraw/zinc/97/47/49/640974749.db2.gz UAOYKGMIVPBVNF-GFCCVEGCSA-N 1 0 282.815 3.010 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(O)c(F)c2)c1 ZINC000273467300 641002906 /nfs/dbraw/zinc/00/29/06/641002906.db2.gz FBTYENLYXDLODC-SNVBAGLBSA-N 1 0 291.322 3.096 20 10 CGCDRO C[C@H](CC(=O)OC(C)(C)C)[NH2+]Cc1cc(Cl)ccc1O ZINC001254185141 806359696 /nfs/dbraw/zinc/35/96/96/806359696.db2.gz WADPCIAWGBGQRT-SNVBAGLBSA-N 1 0 299.798 3.256 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H](C)Cc2cccs2)c1 ZINC000036992501 798854139 /nfs/dbraw/zinc/85/41/39/798854139.db2.gz PVIGECDNKAPKHD-NSHDSACASA-N 1 0 277.389 3.183 20 10 CGCDRO COC[C@H](C)[NH2+]Cc1cc(C)n(-c2ccccc2)c1C ZINC000037329037 798866575 /nfs/dbraw/zinc/86/65/75/798866575.db2.gz IHAHFUKFQNUQKM-ZDUSSCGKSA-N 1 0 272.392 3.219 20 10 CGCDRO CC(C)CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000123413403 798994202 /nfs/dbraw/zinc/99/42/02/798994202.db2.gz HWIFBTUYOQJBIO-HNNXBMFYSA-N 1 0 276.424 3.220 20 10 CGCDRO Cc1cc(O)c(C[N@H+](C)C[C@@H]2CCCCO2)cc1C ZINC000125349451 799001635 /nfs/dbraw/zinc/00/16/35/799001635.db2.gz HPAQPZLOSWHZSC-HNNXBMFYSA-N 1 0 263.381 3.010 20 10 CGCDRO C[N@@H+](Cc1c(O)ccc2ccccc21)CC1CCOCC1 ZINC000156026709 799065086 /nfs/dbraw/zinc/06/50/86/799065086.db2.gz KXFCPMWZHNDRHF-UHFFFAOYSA-N 1 0 285.387 3.404 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H](CO)Cc2ccccc2C)cc1C ZINC000188931996 799120582 /nfs/dbraw/zinc/12/05/82/799120582.db2.gz YQTVFWMHGIQBFZ-GOSISDBHSA-N 1 0 299.414 3.011 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](OC)C2CC2)cc1 ZINC000381104423 799372327 /nfs/dbraw/zinc/37/23/27/799372327.db2.gz HPBAMMCVZKNKNF-QGZVFWFLSA-N 1 0 276.424 3.047 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@@H](C)CCCO ZINC000384296980 799415693 /nfs/dbraw/zinc/41/56/93/799415693.db2.gz APDDZOCKJNRUMZ-YUTCNCBUSA-N 1 0 277.408 3.247 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)[C@@H]1C ZINC000385662615 799427487 /nfs/dbraw/zinc/42/74/87/799427487.db2.gz ONDSCWPIOUMJEV-CKEIUWERSA-N 1 0 258.409 3.421 20 10 CGCDRO C[C@@H](CC(F)(F)F)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000386280939 799433834 /nfs/dbraw/zinc/43/38/34/799433834.db2.gz ZQFBGBPSHUMLSS-WPRPVWTQSA-N 1 0 259.271 3.310 20 10 CGCDRO CCCC[C@H](C)[N@H+](C)Cc1cccc(OC)c1O ZINC000386492492 799437008 /nfs/dbraw/zinc/43/70/08/799437008.db2.gz XTEPQGWPJOMMQY-LBPRGKRZSA-N 1 0 251.370 3.411 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCCOC2)c(O)c1 ZINC000388996689 799458580 /nfs/dbraw/zinc/45/85/80/799458580.db2.gz QAEVZVQOQXONMS-IHRRRGAJSA-N 1 0 263.381 3.166 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)cc1 ZINC000397715675 799518957 /nfs/dbraw/zinc/51/89/57/799518957.db2.gz RYLLCTWRFOSVHA-MUJYYYPQSA-N 1 0 258.409 3.421 20 10 CGCDRO COCCC(C)(C)[NH2+]Cc1c(C)c2ccccc2n1C ZINC000397848051 799522068 /nfs/dbraw/zinc/52/20/68/799522068.db2.gz FVSAXOXIKQXRNP-UHFFFAOYSA-N 1 0 274.408 3.391 20 10 CGCDRO CC(C)[C@@](C)(CO)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000398569135 799532047 /nfs/dbraw/zinc/53/20/47/799532047.db2.gz KZSFHQZDXXHKER-GOSISDBHSA-N 1 0 290.451 3.174 20 10 CGCDRO Cc1scc(C[NH2+]Cc2cc(F)ccc2O)c1C ZINC000399910699 799543125 /nfs/dbraw/zinc/54/31/25/799543125.db2.gz WSGFSLAIFNJESO-UHFFFAOYSA-N 1 0 265.353 3.499 20 10 CGCDRO CC[C@@H](C[NH2+]Cc1cccc(OC)c1O)CC(F)(F)F ZINC000402575045 799563232 /nfs/dbraw/zinc/56/32/32/799563232.db2.gz PIDOZVFPCQWUCT-SNVBAGLBSA-N 1 0 291.313 3.469 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2C[C@@H](C)O[C@@H]2C)c1 ZINC000686509274 799734972 /nfs/dbraw/zinc/73/49/72/799734972.db2.gz QJVALYFUHJNVKD-RQJABVFESA-N 1 0 263.381 3.165 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCC[C@H](C)O2)c1 ZINC000688879495 799755965 /nfs/dbraw/zinc/75/59/65/799755965.db2.gz PWFMEHHEVUTYGA-SGMGOOAPSA-N 1 0 279.380 3.009 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CC[C@@H](C)SC2)c1 ZINC000689613825 799765987 /nfs/dbraw/zinc/76/59/87/799765987.db2.gz WVQBVLHHTBZKPM-DGCLKSJQSA-N 1 0 251.395 3.074 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCOCC23CCCC3)c1O ZINC000692108858 799791154 /nfs/dbraw/zinc/79/11/54/799791154.db2.gz LJIPDYZKTCZVQS-UHFFFAOYSA-N 1 0 275.392 3.100 20 10 CGCDRO CO[C@H](C[NH2+]Cc1cc(C)ccc1O)C1CCCCC1 ZINC000695163688 799828205 /nfs/dbraw/zinc/82/82/05/799828205.db2.gz ZDYXCLAXASICII-QGZVFWFLSA-N 1 0 277.408 3.386 20 10 CGCDRO CCc1cccc(C[NH2+]CCCOC(C)(C)C)c1O ZINC000695261212 799828381 /nfs/dbraw/zinc/82/83/81/799828381.db2.gz AOKZGOUYKZZTNK-UHFFFAOYSA-N 1 0 265.397 3.249 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C2CC3(CCC3)C2)c1 ZINC000697696532 799848340 /nfs/dbraw/zinc/84/83/40/799848340.db2.gz QNBCVOVVLGXZCT-LLVKDONJSA-N 1 0 261.365 3.384 20 10 CGCDRO CCc1cccc(C[NH2+]Cc2ccc(Cl)o2)c1O ZINC000698169358 799852979 /nfs/dbraw/zinc/85/29/79/799852979.db2.gz UAGITSQDIKRJNM-UHFFFAOYSA-N 1 0 265.740 3.491 20 10 CGCDRO CC[C@H]1COC[C@@H]1[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC000699524544 799863615 /nfs/dbraw/zinc/86/36/15/799863615.db2.gz OZYFLFPYNWAUIE-RDJZCZTQSA-N 1 0 276.424 3.047 20 10 CGCDRO C[C@H]([NH2+]Cc1cncc(F)c1)c1ccc(N(C)C)cc1 ZINC000700794608 799880782 /nfs/dbraw/zinc/88/07/82/799880782.db2.gz RQXBOOCLLPAKBJ-LBPRGKRZSA-N 1 0 273.355 3.138 20 10 CGCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1ccccc1F ZINC000700877911 799882632 /nfs/dbraw/zinc/88/26/32/799882632.db2.gz BRZUCQFAVLJELV-UHFFFAOYSA-N 1 0 270.351 3.237 20 10 CGCDRO CC1(C)CC[C@@H]1[NH2+]Cc1ccc(Br)cc1O ZINC000701044202 799883112 /nfs/dbraw/zinc/88/31/12/799883112.db2.gz OXGDZOHIUOTNPH-LBPRGKRZSA-N 1 0 284.197 3.433 20 10 CGCDRO CC1(C)CC([NH2+]Cc2ccc(Br)cc2O)C1 ZINC000701016541 799883479 /nfs/dbraw/zinc/88/34/79/799883479.db2.gz YCJHEGIKYAQANY-UHFFFAOYSA-N 1 0 284.197 3.433 20 10 CGCDRO CO[C@@]1(C)C[C@H]1[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000703676665 799928055 /nfs/dbraw/zinc/92/80/55/799928055.db2.gz UALCQPBDJNFPGP-JGFGOQIWSA-N 1 0 271.360 3.373 20 10 CGCDRO C[C@@H]([NH2+]CC[C@@H]1CCSC1)c1cc(F)ccc1O ZINC000704791988 799941498 /nfs/dbraw/zinc/94/14/98/799941498.db2.gz ZFHJVXIMXNTKAX-GHMZBOCLSA-N 1 0 269.385 3.325 20 10 CGCDRO C[C@H]([NH2+]CC[C@H]1CCSC1)c1ccccc1O ZINC000704919339 799943903 /nfs/dbraw/zinc/94/39/03/799943903.db2.gz SLWXGQPQCXISNM-RYUDHWBXSA-N 1 0 251.395 3.186 20 10 CGCDRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1c(O)cccc1Br ZINC000706857804 799969447 /nfs/dbraw/zinc/96/94/47/799969447.db2.gz FXUQOZHMQGOIIB-SKDRFNHKSA-N 1 0 284.197 3.433 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1CCC2(CCC2)CO1)c1ccccc1O ZINC000716605919 800176037 /nfs/dbraw/zinc/17/60/37/800176037.db2.gz JVVAHFSVTQNKJY-UONOGXRCSA-N 1 0 275.392 3.392 20 10 CGCDRO CC[C@@H]([NH2+][C@H](C)C(C)(C)OC)c1ccccc1O ZINC000720207313 800254141 /nfs/dbraw/zinc/25/41/41/800254141.db2.gz NROGKCGTGJZMSJ-DGCLKSJQSA-N 1 0 251.370 3.246 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](CCO)C2CCCC2)c(O)c1 ZINC000725073667 800372337 /nfs/dbraw/zinc/37/23/37/800372337.db2.gz ZXPCOKFZLOFQNM-CJNGLKHVSA-N 1 0 277.408 3.292 20 10 CGCDRO Cc1cccc(CC[NH2+]Cc2ccc(N(C)C)cc2C)n1 ZINC000840940720 800501438 /nfs/dbraw/zinc/50/14/38/800501438.db2.gz CRMGPSLDUPVWRX-UHFFFAOYSA-N 1 0 283.419 3.097 20 10 CGCDRO COc1cccc(C[C@H](C)[N@@H+]2CCc3cccc(O)c3C2)c1 ZINC001256169855 806842019 /nfs/dbraw/zinc/84/20/19/806842019.db2.gz OFLWMBLPBRSLKX-AWEZNQCLSA-N 1 0 297.398 3.390 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCC[C@H](F)C1 ZINC001118201783 802537651 /nfs/dbraw/zinc/53/76/51/802537651.db2.gz MZIUKRBCJXGBIU-LSDHHAIUSA-N 1 0 264.388 3.431 20 10 CGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]CC[C@H]1CCCO1 ZINC001119438393 802665222 /nfs/dbraw/zinc/66/52/22/802665222.db2.gz KEZUJCQDGGIDLS-BFHYXJOUSA-N 1 0 275.392 3.408 20 10 CGCDRO CC[N@@H+](Cc1ccccc1O)C[C@@H](C)C(F)(F)F ZINC001208892061 813883714 /nfs/dbraw/zinc/88/37/14/813883714.db2.gz NHOJKWWODOYRTB-SNVBAGLBSA-N 1 0 261.287 3.413 20 10 CGCDRO Oc1cccc2c1C[N@H+](Cc1cccc3ncccc13)CC2 ZINC001137630597 803747287 /nfs/dbraw/zinc/74/72/87/803747287.db2.gz GBZVZWWAHCOUFU-UHFFFAOYSA-N 1 0 290.366 3.499 20 10 CGCDRO Cc1cc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c(C)n1-c1ccccc1 ZINC001137855806 803786296 /nfs/dbraw/zinc/78/62/96/803786296.db2.gz GIVMMCNOENFFBO-HDICACEKSA-N 1 0 296.414 3.172 20 10 CGCDRO Cc1cc(C[N@@H+]2CCC[C@@H](O)CC2)c(C)n1-c1ccccc1 ZINC001137854288 803786432 /nfs/dbraw/zinc/78/64/32/803786432.db2.gz PNUKLCIDUARWPN-LJQANCHMSA-N 1 0 298.430 3.441 20 10 CGCDRO CC(=O)[C@@H]1CCC[N@@H+](Cc2c(C)n(C)c3ccccc32)C1 ZINC001138258631 803883924 /nfs/dbraw/zinc/88/39/24/803883924.db2.gz XGCRMGOVVIFAOT-OAHLLOKOSA-N 1 0 284.403 3.288 20 10 CGCDRO CN1CCCc2cc(C[N@@H+]3CCc4occc4C3)ccc21 ZINC001138356455 803900085 /nfs/dbraw/zinc/90/00/85/803900085.db2.gz ONCMJWACDFXFMS-UHFFFAOYSA-N 1 0 282.387 3.220 20 10 CGCDRO CN1CCCc2cc(C[N@@H+]3CCc4cnccc4C3)ccc21 ZINC001138354997 803901482 /nfs/dbraw/zinc/90/14/82/803901482.db2.gz XWYAKHCZYGDJHL-UHFFFAOYSA-N 1 0 293.414 3.022 20 10 CGCDRO Cn1ccc2ccc(C[N@@H+]3CCc4cccc(O)c4C3)cc21 ZINC001139206905 804162367 /nfs/dbraw/zinc/16/23/67/804162367.db2.gz LSFPKVGOLVBCKT-UHFFFAOYSA-N 1 0 292.382 3.442 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)Cc2cc(Cl)ccn2)cc1 ZINC001139565307 804209952 /nfs/dbraw/zinc/20/99/52/804209952.db2.gz UPZBYUIKJJWEFF-UHFFFAOYSA-N 1 0 289.810 3.433 20 10 CGCDRO CCCO[C@H]1CC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC001139671854 804248122 /nfs/dbraw/zinc/24/81/22/804248122.db2.gz PBZDPYKHQPCNEH-INIZCTEOSA-N 1 0 276.424 3.062 20 10 CGCDRO C[C@H]1C[N@@H+](Cc2cc(F)ccc2O)CCC[C@@H]1C ZINC001140057828 804366125 /nfs/dbraw/zinc/36/61/25/804366125.db2.gz PHRHVNPJQHWNEN-RYUDHWBXSA-N 1 0 251.345 3.399 20 10 CGCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@H]3CCCO[C@@H]3C2)c1O ZINC001140179489 804395777 /nfs/dbraw/zinc/39/57/77/804395777.db2.gz FGRRCYCLRSHMQF-GDBMZVCRSA-N 1 0 275.392 3.010 20 10 CGCDRO CCCO[C@@H]1CC[N@H+](Cc2c(C)ccc(C)c2O)C1 ZINC001140179459 804396000 /nfs/dbraw/zinc/39/60/00/804396000.db2.gz KQZDBEHFBBFYBB-CQSZACIVSA-N 1 0 263.381 3.010 20 10 CGCDRO CC[C@H](C)[C@@H](C(=O)OC)[N@H+](C)Cc1c(C)ccc(C)c1O ZINC001140183310 804397212 /nfs/dbraw/zinc/39/72/12/804397212.db2.gz BLWXFUJZUAGHBR-NHYWBVRUSA-N 1 0 293.407 3.029 20 10 CGCDRO C[N@H+](CCc1cccnc1)Cc1c(O)cccc1Cl ZINC001140341466 804420763 /nfs/dbraw/zinc/42/07/63/804420763.db2.gz PLOMZAYOLOTMDO-UHFFFAOYSA-N 1 0 276.767 3.115 20 10 CGCDRO Cc1ccc(O)c(C[NH+]2CC3(C2)CC(F)(F)CS3)c1 ZINC001140622957 804476889 /nfs/dbraw/zinc/47/68/89/804476889.db2.gz ILEUOITUDQBCCK-UHFFFAOYSA-N 1 0 285.359 3.027 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+](CCCCCO)C(C)C)c1 ZINC001140623339 804476992 /nfs/dbraw/zinc/47/69/92/804476992.db2.gz MDQKYEFENXTQFN-UHFFFAOYSA-N 1 0 265.397 3.074 20 10 CGCDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c1O ZINC001140745719 804503337 /nfs/dbraw/zinc/50/33/37/804503337.db2.gz MTWMOPJCIFSDKX-LLVKDONJSA-N 1 0 289.297 3.181 20 10 CGCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@@H]3CCC[C@H]3C2)c1O ZINC001140744438 804503579 /nfs/dbraw/zinc/50/35/79/804503579.db2.gz XFCYNWZCNYIDJZ-STQMWFEESA-N 1 0 261.365 3.028 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)CC2CC2)c(O)c1 ZINC001140850044 804533109 /nfs/dbraw/zinc/53/31/09/804533109.db2.gz BHFWKSCJANIBSQ-UHFFFAOYSA-N 1 0 262.397 3.080 20 10 CGCDRO CC[C@@H]1CC[N@H+](Cc2ccc(N(CC)CC)cc2O)C1 ZINC001140855828 804533337 /nfs/dbraw/zinc/53/33/37/804533337.db2.gz CRLYFLYXDOYPEE-CQSZACIVSA-N 1 0 276.424 3.470 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)c(O)c1 ZINC001140850984 804533746 /nfs/dbraw/zinc/53/37/46/804533746.db2.gz XOUJSUZQYDYWTB-BPUTZDHNSA-N 1 0 292.398 3.028 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](C)[C@H](F)C2)c(O)c1 ZINC001140850844 804533916 /nfs/dbraw/zinc/53/39/16/804533916.db2.gz WOIMOKCOIHDTOX-CZUORRHYSA-N 1 0 294.414 3.418 20 10 CGCDRO CC[C@@H]1COCCN1Cc1ccc(N(C)C)cc1Cl ZINC001140924666 804550614 /nfs/dbraw/zinc/55/06/14/804550614.db2.gz LIOKHRRDUHDZTP-CYBMUJFWSA-N 1 0 282.815 3.017 20 10 CGCDRO Cc1ccc(C[N@H+](C)Cc2ccc(C)nc2)c(O)c1 ZINC001140954703 804558378 /nfs/dbraw/zinc/55/83/78/804558378.db2.gz WVIDNLDTXBZPCF-UHFFFAOYSA-N 1 0 256.349 3.036 20 10 CGCDRO COc1cc(O)c(C[NH+]2CC(c3ccccc3)C2)c(OC)c1 ZINC001141029277 804574555 /nfs/dbraw/zinc/57/45/55/804574555.db2.gz NGKBBNIZQIFFGE-UHFFFAOYSA-N 1 0 299.370 3.009 20 10 CGCDRO CC[C@@H]1CCCC[N@@H+]1Cc1c(O)cc(OC)cc1OC ZINC001141029183 804575214 /nfs/dbraw/zinc/57/52/14/804575214.db2.gz LKXATPKIRVIBRW-GFCCVEGCSA-N 1 0 279.380 3.174 20 10 CGCDRO CN1CCOc2cc(C[NH+]3CCC(C)(C)CC3)ccc21 ZINC001141142864 804596946 /nfs/dbraw/zinc/59/69/46/804596946.db2.gz DFPXLDYZCXROFO-UHFFFAOYSA-N 1 0 274.408 3.137 20 10 CGCDRO Cc1ccc(C[N@@H+](C)Cc2cc(O)ccc2O)cc1 ZINC001141158911 804600640 /nfs/dbraw/zinc/60/06/40/804600640.db2.gz RELFURCRYAUADM-UHFFFAOYSA-N 1 0 257.333 3.038 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2cccc(C(C)(C)C)c2O)CCC[C@@H]1O ZINC001143104061 804801056 /nfs/dbraw/zinc/80/10/56/804801056.db2.gz OVCCFRXUKPIBHZ-CJNGLKHVSA-N 1 0 291.435 3.283 20 10 CGCDRO CC(C)(C)c1cccc(C[N@@H+]2CCOC(C)(C)C2)c1O ZINC001143104554 804801513 /nfs/dbraw/zinc/80/15/13/804801513.db2.gz VEXZXKXHPYYTHU-UHFFFAOYSA-N 1 0 277.408 3.301 20 10 CGCDRO C[C@H]1CC(=O)CCN1Cc1cccc(C(C)(C)C)c1O ZINC001143104043 804801560 /nfs/dbraw/zinc/80/15/60/804801560.db2.gz OLFAMMKCXUURER-LBPRGKRZSA-N 1 0 275.392 3.243 20 10 CGCDRO C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001143103808 804801772 /nfs/dbraw/zinc/80/17/72/804801772.db2.gz KPOFZYKKQKGVGX-OCCSQVGLSA-N 1 0 277.408 3.035 20 10 CGCDRO CC[C@H]1COCC[N@@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001143112294 804804142 /nfs/dbraw/zinc/80/41/42/804804142.db2.gz PAAHGZRZXASXSI-AWEZNQCLSA-N 1 0 277.408 3.301 20 10 CGCDRO C[N@H+](Cc1cncnc1)Cc1cccc(C(C)(C)C)c1O ZINC001143117116 804805579 /nfs/dbraw/zinc/80/55/79/804805579.db2.gz UODLCJWGGSPDOK-UHFFFAOYSA-N 1 0 285.391 3.112 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2cccc(C(C)(C)C)c2O)[C@@H](C)CO1 ZINC001143117225 804805680 /nfs/dbraw/zinc/80/56/80/804805680.db2.gz YDNIWDYHKVFWMW-QWHCGFSZSA-N 1 0 277.408 3.299 20 10 CGCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@H](c3ccccc3)C2)c(O)c1 ZINC001144509277 804997214 /nfs/dbraw/zinc/99/72/14/804997214.db2.gz RNPPRLBGJQAUQD-AWEZNQCLSA-N 1 0 299.370 3.183 20 10 CGCDRO COCC1C[NH+](Cc2cc(Cl)c(C(C)(C)C)cc2O)C1 ZINC001248881286 805029837 /nfs/dbraw/zinc/02/98/37/805029837.db2.gz VZKAACDJLYGKLJ-UHFFFAOYSA-N 1 0 297.826 3.421 20 10 CGCDRO CC[N@H+](CCOC)Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001249223262 805114772 /nfs/dbraw/zinc/11/47/72/805114772.db2.gz CYGJFJIABTVYFW-UHFFFAOYSA-N 1 0 291.391 3.045 20 10 CGCDRO Cc1cc(C[N@H+]2CC[C@H](C)C2)c(O)cc1Br ZINC001250120932 805427750 /nfs/dbraw/zinc/42/77/50/805427750.db2.gz VIVBAZZRNLQNGH-VIFPVBQESA-N 1 0 284.197 3.305 20 10 CGCDRO CC[N@H+](Cc1cc(C)c(Br)cc1O)C1CC1 ZINC001250120971 805428148 /nfs/dbraw/zinc/42/81/48/805428148.db2.gz WUSRENYSXOJZQJ-UHFFFAOYSA-N 1 0 284.197 3.447 20 10 CGCDRO C[NH+]1CCN(c2ccc(CNc3ccccc3)cc2)CC1 ZINC001167431363 807192581 /nfs/dbraw/zinc/19/25/81/807192581.db2.gz VMASLXSOMZWLQX-UHFFFAOYSA-N 1 0 281.403 3.051 20 10 CGCDRO CC(C)C[C@H](C)C[C@H](C)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001258053126 807279908 /nfs/dbraw/zinc/27/99/08/807279908.db2.gz WIRIKEXAKLHONY-GDZNZVCISA-N 1 0 295.423 3.182 20 10 CGCDRO C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001168128456 807316545 /nfs/dbraw/zinc/31/65/45/807316545.db2.gz QQJHGKPDPQCXTR-YJBOKZPZSA-N 1 0 288.435 3.286 20 10 CGCDRO C[C@@H](CC1CC1)[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001258469773 807467958 /nfs/dbraw/zinc/46/79/58/807467958.db2.gz BVWLRKWJJOSXMC-NSHDSACASA-N 1 0 261.365 3.035 20 10 CGCDRO CCOC(=O)CC[C@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC001258480636 807474507 /nfs/dbraw/zinc/47/45/07/807474507.db2.gz FERVSWUOWRJTLM-KBPBESRZSA-N 1 0 292.423 3.135 20 10 CGCDRO CC[N@H+](Cc1ccccc1O)[C@@H](C)Cc1cccnc1 ZINC001258635282 807519700 /nfs/dbraw/zinc/51/97/00/807519700.db2.gz YSIQDYOWICYOER-AWEZNQCLSA-N 1 0 270.376 3.240 20 10 CGCDRO CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]Cc1ccccc1O ZINC001170410765 807836674 /nfs/dbraw/zinc/83/66/74/807836674.db2.gz HDQGJRJMJKTWJT-HNNXBMFYSA-N 1 0 299.370 3.232 20 10 CGCDRO CC1(C)[C@@H]2C[C@H]([NH2+]Cc3ccc4c(c3)CCO4)C[C@@H]21 ZINC001170721071 807885694 /nfs/dbraw/zinc/88/56/94/807885694.db2.gz QVVGKRSWEPBENW-QDMKHBRRSA-N 1 0 257.377 3.146 20 10 CGCDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)[C@H]1CCCOCC1 ZINC001170827863 807919133 /nfs/dbraw/zinc/91/91/33/807919133.db2.gz OIMACDDEYIGCJV-KRWDZBQOSA-N 1 0 288.435 3.288 20 10 CGCDRO Oc1ccccc1C[NH2+][C@@H]1CCc2cccc(F)c2C1 ZINC001170950801 807943033 /nfs/dbraw/zinc/94/30/33/807943033.db2.gz UJVDWIRZRSCUQP-CQSZACIVSA-N 1 0 271.335 3.178 20 10 CGCDRO CC[C@@H](C)OCC[C@@H](C)[NH2+]Cc1cccc(C)c1O ZINC001172334293 808237488 /nfs/dbraw/zinc/23/74/88/808237488.db2.gz HOLNHQRXMNBXDP-ZIAGYGMSSA-N 1 0 265.397 3.384 20 10 CGCDRO CC(C)COCC[C@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC001172460697 808330486 /nfs/dbraw/zinc/33/04/86/808330486.db2.gz UGOKYQHCMPSELV-KBPBESRZSA-N 1 0 265.397 3.494 20 10 CGCDRO COC(=O)CCCC[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001173440077 808635900 /nfs/dbraw/zinc/63/59/00/808635900.db2.gz CVPLGPAMXQOZOY-CQSZACIVSA-N 1 0 293.407 3.215 20 10 CGCDRO COC(=O)CCCC[C@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC001173453009 808639342 /nfs/dbraw/zinc/63/93/42/808639342.db2.gz KYJTWYFGKMAXLH-STQMWFEESA-N 1 0 279.380 3.165 20 10 CGCDRO COc1ccc(N2CCC[C@@]3(CCC[N@H+](C)C3)C2)cc1 ZINC001276924312 809045349 /nfs/dbraw/zinc/04/53/49/809045349.db2.gz HTTBAHBEQASAAP-QGZVFWFLSA-N 1 0 274.408 3.007 20 10 CGCDRO COc1ccc(N2CC3(CC[N@@H+]3C3CCCC3)C2)c(C)c1 ZINC001277018296 809054529 /nfs/dbraw/zinc/05/45/29/809054529.db2.gz GVPLDHHNOZMHHS-UHFFFAOYSA-N 1 0 286.419 3.211 20 10 CGCDRO Cc1c[nH+]ccc1Nc1ccc(Br)cc1O ZINC001174537355 809069014 /nfs/dbraw/zinc/06/90/14/809069014.db2.gz CTNBLSSGJNJUBD-UHFFFAOYSA-N 1 0 279.137 3.024 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCCSC[C@H]2C2CC2)cc1 ZINC001176642063 809736235 /nfs/dbraw/zinc/73/62/35/809736235.db2.gz WAWYUDRZAKYRDB-KRWDZBQOSA-N 1 0 290.476 3.470 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@@H](CO)C2CCCC2)cc1C ZINC001178855895 809891845 /nfs/dbraw/zinc/89/18/45/809891845.db2.gz SGHPUNYPFCBHNI-KRWDZBQOSA-N 1 0 291.435 3.425 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCS[C@H](C(C)C)C2)c(O)c1 ZINC001180142973 809978392 /nfs/dbraw/zinc/97/83/92/809978392.db2.gz TVCXLIXDDVABCK-HNNXBMFYSA-N 1 0 265.422 3.274 20 10 CGCDRO CO[C@H](C[NH2+]Cc1ccc(Cl)cc1O)C1CCCC1 ZINC001183059020 810136119 /nfs/dbraw/zinc/13/61/19/810136119.db2.gz JNJIAHKMKCHYFH-OAHLLOKOSA-N 1 0 283.799 3.340 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CC[C@@H](C3CC3)O2)cc1Cl ZINC001184055904 810175849 /nfs/dbraw/zinc/17/58/49/810175849.db2.gz OAANPFYSCWVXSM-BBRMVZONSA-N 1 0 295.810 3.401 20 10 CGCDRO CCc1cccc(C[NH2+]CC(C)(C)C2=CCOCC2)c1O ZINC001184337380 810193444 /nfs/dbraw/zinc/19/34/44/810193444.db2.gz GAGHBEJCSPZAIF-UHFFFAOYSA-N 1 0 289.419 3.417 20 10 CGCDRO COc1ccc(N2CC[NH+](C[C@H]3CC=CCC3)CC2)cc1 ZINC001201407435 811833917 /nfs/dbraw/zinc/83/39/17/811833917.db2.gz OVTQBICZYUTYML-INIZCTEOSA-N 1 0 286.419 3.174 20 10 CGCDRO CCC1(C[N@H+](C)Cc2ccc(N3CCCC3)cc2)COC1 ZINC001202958855 812209948 /nfs/dbraw/zinc/20/99/48/812209948.db2.gz XJCQYLOOJAHWPU-UHFFFAOYSA-N 1 0 288.435 3.145 20 10 CGCDRO Oc1ccccc1C[NH+]1CCC(COc2cccnc2)CC1 ZINC001203550193 812391143 /nfs/dbraw/zinc/39/11/43/812391143.db2.gz LMDWIBRIJFYCTF-UHFFFAOYSA-N 1 0 298.386 3.078 20 10 CGCDRO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+]1Cc1ccccc1O ZINC001203558612 812393646 /nfs/dbraw/zinc/39/36/46/812393646.db2.gz PPLIIFYKTNULDS-CQSZACIVSA-N 1 0 291.391 3.088 20 10 CGCDRO COc1cccc(C[N@H+](C)CCc2cccc(C)c2)c1O ZINC001203595968 812404202 /nfs/dbraw/zinc/40/42/02/812404202.db2.gz VOJYWDOLDOALHJ-UHFFFAOYSA-N 1 0 285.387 3.384 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2O)CC[C@]1(C)O ZINC001203651774 812415852 /nfs/dbraw/zinc/41/58/52/812415852.db2.gz UOYGQOCHHIBVRJ-ABAIWWIYSA-N 1 0 283.799 3.029 20 10 CGCDRO C[C@H]1C[C@@H](CF)[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC001203650796 812416301 /nfs/dbraw/zinc/41/63/01/812416301.db2.gz CQPDPPSJCFQLMU-CABZTGNLSA-N 1 0 257.736 3.226 20 10 CGCDRO COc1ccccc1[C@@H](C)[N@H+](C)Cc1ccc(O)c(O)c1 ZINC001203878460 812477753 /nfs/dbraw/zinc/47/77/53/812477753.db2.gz AENRJULDSRSZFO-GFCCVEGCSA-N 1 0 287.359 3.299 20 10 CGCDRO Oc1ccc(C[N@H+](Cc2ccccc2)C2CC2)cc1O ZINC001203880474 812478067 /nfs/dbraw/zinc/47/80/67/812478067.db2.gz SWRJULMAODOATD-UHFFFAOYSA-N 1 0 269.344 3.262 20 10 CGCDRO Cc1ccc(C[N@@H+](C)Cc2ccc(O)c(O)c2)cc1C ZINC001203881945 812479659 /nfs/dbraw/zinc/47/96/59/812479659.db2.gz YPHSGQILQKVMFJ-UHFFFAOYSA-N 1 0 271.360 3.347 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)c1 ZINC001203891915 812483183 /nfs/dbraw/zinc/48/31/83/812483183.db2.gz AUSRVMBBANLWAE-UHFFFAOYSA-N 1 0 283.371 3.355 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](C)[C@H]2CO)cc1 ZINC001203935331 812495506 /nfs/dbraw/zinc/49/55/06/812495506.db2.gz FBYGCHPPWADZEP-CRAIPNDOSA-N 1 0 290.451 3.126 20 10 CGCDRO COCC[C@@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC001203934656 812496437 /nfs/dbraw/zinc/49/64/37/812496437.db2.gz YWJDUUZVMPFMBH-KRWDZBQOSA-N 1 0 276.424 3.144 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCCCC23COC3)cc1 ZINC001203939148 812497092 /nfs/dbraw/zinc/49/70/92/812497092.db2.gz LJPVEVWOCCSTOG-UHFFFAOYSA-N 1 0 288.435 3.288 20 10 CGCDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)Cc1ccccn1 ZINC001204062160 812537813 /nfs/dbraw/zinc/53/78/13/812537813.db2.gz YFBUIEFEZGRJRO-UHFFFAOYSA-N 1 0 281.403 3.314 20 10 CGCDRO CC(C)[C@@H]1C[C@H]1[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001204126809 812552698 /nfs/dbraw/zinc/55/26/98/812552698.db2.gz AODYJEGCEFIJGM-SMDDNHRTSA-N 1 0 268.351 3.165 20 10 CGCDRO Oc1ccc(C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)c(O)c1 ZINC001204277632 812593853 /nfs/dbraw/zinc/59/38/53/812593853.db2.gz HJQSKXYXIUBELS-CHWSQXEVSA-N 1 0 261.365 3.110 20 10 CGCDRO Oc1cccc(C2CC[NH+](Cc3ccc(O)cc3O)CC2)c1 ZINC001204277595 812594456 /nfs/dbraw/zinc/59/44/56/812594456.db2.gz GJAISMVKGHBCMK-UHFFFAOYSA-N 1 0 299.370 3.183 20 10 CGCDRO CC(C)c1ccc(O)c(CN2CCC[N@@H+]3CCC[C@@H]3C2)c1 ZINC001204423092 812633371 /nfs/dbraw/zinc/63/33/71/812633371.db2.gz VBBQBNHPVHBZDT-QGZVFWFLSA-N 1 0 288.435 3.186 20 10 CGCDRO CC[N@H+](CCC(F)(F)F)Cc1c(C)cc(OC)cc1O ZINC001204565903 812678672 /nfs/dbraw/zinc/67/86/72/812678672.db2.gz QUMOFGNNCYGNQR-UHFFFAOYSA-N 1 0 291.313 3.484 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(CN2CC[C@](C)([NH3+])C2)cc1 ZINC001204770975 812731024 /nfs/dbraw/zinc/73/10/24/812731024.db2.gz KBPGHZVGDPPMEP-SFHVURJKSA-N 1 0 283.419 3.017 20 10 CGCDRO CC(C)(C)c1cccc(CN2CCC[C@@](C)([NH3+])C2)c1O ZINC001204938144 812786450 /nfs/dbraw/zinc/78/64/50/812786450.db2.gz JKMOIMMGCZOHPR-QGZVFWFLSA-N 1 0 276.424 3.003 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+][C@@H]2Cc3cccc(O)c3C2)c1 ZINC001205407154 812979886 /nfs/dbraw/zinc/97/98/86/812979886.db2.gz YZYZYPDUEPTZRC-MRXNPFEDSA-N 1 0 297.398 3.478 20 10 CGCDRO CC[C@H]1CCC[C@H]1C[NH2+]Cc1cc(OC)ccc1O ZINC001205860232 813111181 /nfs/dbraw/zinc/11/11/81/813111181.db2.gz MPBRDPZYJHGIFK-STQMWFEESA-N 1 0 263.381 3.317 20 10 CGCDRO CC(C)(C)c1cccc(CN2CCCC[C@H]([NH3+])C2)c1O ZINC001205930797 813138085 /nfs/dbraw/zinc/13/80/85/813138085.db2.gz DKOXSYPUCRVPNL-AWEZNQCLSA-N 1 0 276.424 3.003 20 10 CGCDRO [NH3+][C@@H]1CCCCN(Cc2cc(Cl)c(Cl)cc2O)C1 ZINC001205939932 813141855 /nfs/dbraw/zinc/14/18/55/813141855.db2.gz WSKPEJNJEBDIQY-SNVBAGLBSA-N 1 0 289.206 3.012 20 10 CGCDRO CCCCN(C)C[C@@H](C)[NH2+]Cc1cccc(CC)c1O ZINC001206085159 813196076 /nfs/dbraw/zinc/19/60/76/813196076.db2.gz SHKNZXLNZISFDQ-CQSZACIVSA-N 1 0 278.440 3.165 20 10 CGCDRO CC[C@H]1C[NH+](Cc2ccc(N(C)C)cc2C)C[C@H](CC)O1 ZINC001206351676 813299827 /nfs/dbraw/zinc/29/98/27/813299827.db2.gz WGAZNLXOLBNSLT-ROUUACIJSA-N 1 0 290.451 3.450 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+]C[C@@H]2CCCCN2C)c1 ZINC001207727963 813641039 /nfs/dbraw/zinc/64/10/39/813641039.db2.gz HJLSNSAIPOPEDK-INIZCTEOSA-N 1 0 276.424 3.090 20 10 CGCDRO CC(C)CCC[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001208736761 813827546 /nfs/dbraw/zinc/82/75/46/813827546.db2.gz NUMCBHAILIBXNN-UHFFFAOYSA-N 1 0 263.381 3.282 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CCC[C@H]2CO)cc1 ZINC001209516675 814071787 /nfs/dbraw/zinc/07/17/87/814071787.db2.gz LKXOIEAKBOGHRL-SFHVURJKSA-N 1 0 284.403 3.051 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CO3)cc1 ZINC001209519158 814073040 /nfs/dbraw/zinc/07/30/40/814073040.db2.gz XQPMGGMHEXQGHC-ROUUACIJSA-N 1 0 282.387 3.067 20 10 CGCDRO Nc1ccc(O[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC001218178872 816117966 /nfs/dbraw/zinc/11/79/66/816117966.db2.gz UIJBJPLDIZYCPM-GOSISDBHSA-N 1 0 282.387 3.312 20 10 CGCDRO O=C1C=CC(=NNc2ccccn2)C(O[C@H]2CCC[NH2+]C2)=C1 ZINC001218282915 816151706 /nfs/dbraw/zinc/15/17/06/816151706.db2.gz FLZWQNBOMNTILR-XEXOPBTESA-N 1 0 298.346 3.333 20 10 CGCDRO CC(C)(C)c1cccc(CN2CCC[C@]3(CC[NH2+]3)C2)c1O ZINC001222282971 816394668 /nfs/dbraw/zinc/39/46/68/816394668.db2.gz RUJKNNPPTIWCAX-SFHVURJKSA-N 1 0 288.435 3.018 20 10 CGCDRO CCCCC[NH+]1CCN(Cc2cccc(C)c2O)CC1 ZINC001231592280 818131139 /nfs/dbraw/zinc/13/11/39/818131139.db2.gz IKHYYNYDZKCFLO-UHFFFAOYSA-N 1 0 276.424 3.008 20 10 CGCDRO Cc1cc(C)c(C[N@@H+]2CC[C@@](C)(F)[C@@H](F)C2)c(O)c1 ZINC001231842198 818186067 /nfs/dbraw/zinc/18/60/67/818186067.db2.gz KQMWGXDQMUEQRS-LSDHHAIUSA-N 1 0 269.335 3.281 20 10 CGCDRO Cc1cc(C)c(C[NH+]2CCC(c3ncccn3)CC2)c(O)c1 ZINC001231846485 818186965 /nfs/dbraw/zinc/18/69/65/818186965.db2.gz MSTODCFHDIHIEB-UHFFFAOYSA-N 1 0 297.402 3.179 20 10 CGCDRO CO[C@H]1CCC[N@H+](Cc2c(C)cc(C)cc2O)CC1 ZINC001231846815 818187139 /nfs/dbraw/zinc/18/71/39/818187139.db2.gz PYGBXKBLONZGFX-AWEZNQCLSA-N 1 0 263.381 3.010 20 10 CGCDRO CCC[N@H+](Cc1c(C)cc(C)cc1O)C1CCOCC1 ZINC001231849987 818189000 /nfs/dbraw/zinc/18/90/00/818189000.db2.gz YLYVIZZLLJKJLY-UHFFFAOYSA-N 1 0 277.408 3.400 20 10 CGCDRO CC[NH+](CC)CCN(C)Cc1ccc2ccccc2c1O ZINC001231878461 818198012 /nfs/dbraw/zinc/19/80/12/818198012.db2.gz KSCPEPQLEGOUEJ-UHFFFAOYSA-N 1 0 286.419 3.319 20 10 CGCDRO C[C@H]1C[N@H+](Cc2ccc3ccccc3c2O)CC[C@]1(C)O ZINC001231879580 818198684 /nfs/dbraw/zinc/19/86/84/818198684.db2.gz JAWYBLKINQGSPJ-UGSOOPFHSA-N 1 0 285.387 3.138 20 10 CGCDRO Oc1cc(O)c(C[NH+]2CCCCCC2)cc1Cl ZINC001232259557 818295461 /nfs/dbraw/zinc/29/54/61/818295461.db2.gz KYFDPJNMGZQXGC-UHFFFAOYSA-N 1 0 255.745 3.127 20 10 CGCDRO C[N@@H+](Cc1cc(Cl)c(O)cc1O)C[C@H]1CC1(C)C ZINC001232262443 818298989 /nfs/dbraw/zinc/29/89/89/818298989.db2.gz HUBNKRFBOPJRAG-SNVBAGLBSA-N 1 0 269.772 3.229 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]3C[C@@H]32)cc1Cl ZINC001232268382 818299293 /nfs/dbraw/zinc/29/92/93/818299293.db2.gz MTLMAMQJWBXELN-SKDRFNHKSA-N 1 0 267.756 3.039 20 10 CGCDRO COc1cc(O)c(C[N@H+]2CC[C@@H](OC)C[C@@H]2C)cc1Cl ZINC001232271132 818300374 /nfs/dbraw/zinc/30/03/74/818300374.db2.gz NZAWNJZBPIWYBO-CMPLNLGQSA-N 1 0 299.798 3.054 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H]2c2cccnc2)c(O)c1 ZINC001232834826 818451886 /nfs/dbraw/zinc/45/18/86/818451886.db2.gz NRERYWMFAHRRDV-KRWDZBQOSA-N 1 0 297.402 3.190 20 10 CGCDRO CC[C@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)cc1O ZINC001232840355 818453693 /nfs/dbraw/zinc/45/36/93/818453693.db2.gz UXZZKZUTPJQGQU-AWEZNQCLSA-N 1 0 262.397 3.223 20 10 CGCDRO CC[N@H+](Cc1ccccc1O)Cc1cc(F)cnc1C ZINC001232990745 818495906 /nfs/dbraw/zinc/49/59/06/818495906.db2.gz PHQNEXGEEAJWTC-UHFFFAOYSA-N 1 0 274.339 3.257 20 10 CGCDRO C[C@H]1CC[N@H+](Cc2cc(C(C)(C)C)ccc2O)CC[C@H]1O ZINC001233284156 818565781 /nfs/dbraw/zinc/56/57/81/818565781.db2.gz KIQWARPFKHRMQE-XJKSGUPXSA-N 1 0 291.435 3.283 20 10 CGCDRO C[C@H]1C[N@H+](Cc2cc(C(C)(C)C)ccc2O)CCCC1=O ZINC001233284042 818566784 /nfs/dbraw/zinc/56/67/84/818566784.db2.gz FRVNDEDBSXTEFS-ZDUSSCGKSA-N 1 0 289.419 3.491 20 10 CGCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CCOC[C@@H]2C2CC2)c1 ZINC001233287072 818567191 /nfs/dbraw/zinc/56/71/91/818567191.db2.gz VLEQKNPAOYCXFN-MRXNPFEDSA-N 1 0 289.419 3.301 20 10 CGCDRO CSCC[N@H+](C)Cc1cc(C(C)(C)C)ccc1O ZINC001233287063 818567432 /nfs/dbraw/zinc/56/74/32/818567432.db2.gz VDRSUCCOSIMTFP-UHFFFAOYSA-N 1 0 267.438 3.485 20 10 CGCDRO COCC1C[NH+](Cc2cccc(-c3ccccc3)c2O)C1 ZINC001234990712 818969230 /nfs/dbraw/zinc/96/92/30/818969230.db2.gz JRCMDUKWLWLRCG-UHFFFAOYSA-N 1 0 283.371 3.137 20 10 CGCDRO Cc1cc(O)c(CN2CCCC[C@]23CC[NH2+]C3)cc1Cl ZINC001235117511 819010001 /nfs/dbraw/zinc/01/00/01/819010001.db2.gz IYXWKOIMBVWSMA-MRXNPFEDSA-N 1 0 294.826 3.072 20 10 CGCDRO c1cc(N2CCCC2)ccc1CN1CCCC[C@@]12CC[NH2+]C2 ZINC001235120460 819010758 /nfs/dbraw/zinc/01/07/58/819010758.db2.gz BTHPXKWXSAOYIC-IBGZPJMESA-N 1 0 299.462 3.005 20 10 CGCDRO C[C@H]1CC[N@H+](Cc2ccc(C(C)(C)C)cc2O)CC[C@H]1O ZINC001235675891 819137182 /nfs/dbraw/zinc/13/71/82/819137182.db2.gz LOIAZIKAQPBSJI-XJKSGUPXSA-N 1 0 291.435 3.283 20 10 CGCDRO CC(C)(C)c1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)c(O)c1 ZINC001235678330 819138232 /nfs/dbraw/zinc/13/82/32/819138232.db2.gz BLQWYYDAFUHVDP-QEJZJMRPSA-N 1 0 277.383 3.480 20 10 CGCDRO C[NH2+]C1CCN(Cc2cc(C)n(-c3ccccc3)c2C)CC1 ZINC001235789537 819169009 /nfs/dbraw/zinc/16/90/09/819169009.db2.gz UJHXJRDPQAIORN-UHFFFAOYSA-N 1 0 297.446 3.278 20 10 CGCDRO CCC[C@@H]1C[NH2+]CCN1Cc1ccc(C(C)C)cc1O ZINC001236133554 819336626 /nfs/dbraw/zinc/33/66/26/819336626.db2.gz ZHTUWDMGACROQP-MRXNPFEDSA-N 1 0 276.424 3.090 20 10 CGCDRO CCN(CC)c1ccc(CN(C)[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC001236210477 819372905 /nfs/dbraw/zinc/37/29/05/819372905.db2.gz COSCRFBILVXSII-ZWKOTPCHSA-N 1 0 289.467 3.235 20 10 CGCDRO Cc1cc(O)c(CN(C)[C@H]2CCCC[C@@H]2[NH3+])cc1Cl ZINC001236214700 819377481 /nfs/dbraw/zinc/37/74/81/819377481.db2.gz DTZITHLSZAVRJE-KBPBESRZSA-N 1 0 282.815 3.056 20 10 CGCDRO Oc1cc2ccccc2cc1CN(C1CC1)[C@H]1CCC[NH2+]C1 ZINC001236242326 819401578 /nfs/dbraw/zinc/40/15/78/819401578.db2.gz VRSVHOBWSBUNBL-SFHVURJKSA-N 1 0 296.414 3.262 20 10 CGCDRO C[C@H]1[C@H]([NH3+])CCCN1Cc1c(O)ccc(Cl)c1Cl ZINC001236417460 819463144 /nfs/dbraw/zinc/46/31/44/819463144.db2.gz DRTAZUJWDKPWGP-GZMMTYOYSA-N 1 0 289.206 3.011 20 10 CGCDRO CCc1ccc(C[N@@H+]2C[C@@H](C)C[C@H]2CF)c(O)c1 ZINC001236782583 819594066 /nfs/dbraw/zinc/59/40/66/819594066.db2.gz CRXGTXLBTLEDRD-FZMZJTMJSA-N 1 0 251.345 3.135 20 10 CGCDRO CCc1ccc(C[N@@H+]2Cc3cccc(OC)c3C2)c(O)c1 ZINC001236793019 819596591 /nfs/dbraw/zinc/59/65/91/819596591.db2.gz VGDNDRWYEFTAAX-UHFFFAOYSA-N 1 0 283.371 3.479 20 10 CGCDRO CCCO[C@H]1CC[N@H+](Cc2c(O)cc(OC)cc2Cl)C1 ZINC001236801207 819599337 /nfs/dbraw/zinc/59/93/37/819599337.db2.gz ZJZYZFJWYGAQLH-NSHDSACASA-N 1 0 299.798 3.055 20 10 CGCDRO CCC[N@H+](CC)Cc1c(O)cc(OC)cc1Cl ZINC001236805120 819601471 /nfs/dbraw/zinc/60/14/71/819601471.db2.gz VMQUSEJRGWGNGJ-UHFFFAOYSA-N 1 0 257.761 3.286 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2cc3ccccc3cc2O)CC[C@]1(C)O ZINC001236825696 819608483 /nfs/dbraw/zinc/60/84/83/819608483.db2.gz CMJHYLNPASBJNK-ACJLOTCBSA-N 1 0 285.387 3.138 20 10 CGCDRO CC(=O)C1CC[NH+](Cc2cc3ccccc3cc2O)CC1 ZINC001236833788 819613891 /nfs/dbraw/zinc/61/38/91/819613891.db2.gz QEQJHSJCKKRJSE-UHFFFAOYSA-N 1 0 283.371 3.346 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2CC[C@@](C)(O)[C@H](C)C2)c(O)c1 ZINC001237046742 819650283 /nfs/dbraw/zinc/65/02/83/819650283.db2.gz WTDNFSZASYNVLD-CXAGYDPISA-N 1 0 277.408 3.108 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2cc(C(F)(F)F)ccc2O)C1 ZINC001237138912 819676897 /nfs/dbraw/zinc/67/68/97/819676897.db2.gz ZXPZLGXHIKEVSP-SECBINFHSA-N 1 0 259.271 3.253 20 10 CGCDRO CC[N@H+](Cc1sc(=O)[nH]c1Cl)Cc1ccccc1O ZINC001237163808 819685579 /nfs/dbraw/zinc/68/55/79/819685579.db2.gz FMJFDSQATQCSIS-UHFFFAOYSA-N 1 0 298.795 3.230 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+]2CCCC23CC3)c1O ZINC001237682054 819806415 /nfs/dbraw/zinc/80/64/15/819806415.db2.gz VVWRFMVEPDDEPN-UHFFFAOYSA-N 1 0 251.757 3.482 20 10 CGCDRO COc1cc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)c(O)c(OC)c1 ZINC001237678640 819806621 /nfs/dbraw/zinc/80/66/21/819806621.db2.gz QGTLBCKFRQWWQF-WFASDCNBSA-N 1 0 291.391 3.174 20 10 CGCDRO COc1cc(CN(C)Cc2ccccc2O)c(Cl)cn1 ZINC001238354680 819979829 /nfs/dbraw/zinc/97/98/29/819979829.db2.gz OROFPWGGSXTNEL-UHFFFAOYSA-N 1 0 292.766 3.081 20 10 CGCDRO CCN(c1ccccc1)c1cc(C2=CCC[NH2+]C2)ncn1 ZINC001240657286 821220910 /nfs/dbraw/zinc/22/09/10/821220910.db2.gz VZUVTXJGEPFQDR-UHFFFAOYSA-N 1 0 280.375 3.011 20 10 CGCDRO C(c1ccc(N2CCCCC2)cc1)=C1CC[NH2+]CC1 ZINC001240878033 821387729 /nfs/dbraw/zinc/38/77/29/821387729.db2.gz FMHGCLHHQHDKIT-UHFFFAOYSA-N 1 0 256.393 3.444 20 10 CGCDRO c1ccc(N2CC=C(c3cnc4c(c3)C[NH2+]CC4)CC2)cc1 ZINC001241354351 821756007 /nfs/dbraw/zinc/75/60/07/821756007.db2.gz ACMJBLSQWWRVIH-UHFFFAOYSA-N 1 0 291.398 3.021 20 10 CGCDRO Cn1ccc2c1cccc2-c1c[nH+]ccc1N1CCOCC1 ZINC001241822112 822162992 /nfs/dbraw/zinc/16/29/92/822162992.db2.gz PHMLHKYJSQCREG-UHFFFAOYSA-N 1 0 293.370 3.077 20 10 CGCDRO COC[C@@]1(C)CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001344074776 936525358 /nfs/dbraw/zinc/52/53/58/936525358.db2.gz JZCMFNPSXBLYHN-SFHVURJKSA-N 1 0 288.435 3.145 20 10 CGCDRO Nc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H](O)c2ccccc2)cc1 ZINC001345159305 936804893 /nfs/dbraw/zinc/80/48/93/936804893.db2.gz FWQJRMPVQAMJMS-MOPGFXCFSA-N 1 0 296.414 3.357 20 10 CGCDRO C[C@H](Cc1cccc(F)c1)[N@H+](C)Cc1ccc(N)cc1 ZINC001352791096 937049863 /nfs/dbraw/zinc/04/98/63/937049863.db2.gz UXXBPOZBDMQDEM-CYBMUJFWSA-N 1 0 272.367 3.471 20 10 CGCDRO Cc1ccc(C)c(C[NH+]2CCC(F)(F)CC2)c1O ZINC001140178266 931957116 /nfs/dbraw/zinc/95/71/16/931957116.db2.gz GECWLQJLQPRLFX-UHFFFAOYSA-N 1 0 255.308 3.240 20 10 CGCDRO COc1ccc(C[NH2+]Cc2ccc(N(C)C)cc2)c(F)c1 ZINC000404723690 932022366 /nfs/dbraw/zinc/02/23/66/932022366.db2.gz LWUNSPVHMJNZKF-UHFFFAOYSA-N 1 0 288.366 3.190 20 10 CGCDRO CC1(C)C[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)C(C)(C)O1 ZINC001461387293 937579106 /nfs/dbraw/zinc/57/91/06/937579106.db2.gz JZMILPRIWGVYCW-INIZCTEOSA-N 1 0 289.419 3.447 20 10 CGCDRO CC[C@@H](COCC1CC1)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001461630776 937589463 /nfs/dbraw/zinc/58/94/63/937589463.db2.gz KGVREGHUBAQUOR-KRWDZBQOSA-N 1 0 289.419 3.306 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2CC[C@@H](C)O2)cc1F ZINC001461546634 937585444 /nfs/dbraw/zinc/58/54/44/937585444.db2.gz AFTZOGRGADGUNF-UKRRQHHQSA-N 1 0 294.414 3.329 20 10 CGCDRO COCC(C)(C)[N@H+](C)Cc1cc(C(C)C)ccc1O ZINC001462298592 937630515 /nfs/dbraw/zinc/63/05/15/937630515.db2.gz STVULSVMODOHTL-UHFFFAOYSA-N 1 0 265.397 3.372 20 10 CGCDRO CC(C)CC[C@H](CO)[NH2+]Cc1cc(C(C)C)ccc1O ZINC001462446496 937641997 /nfs/dbraw/zinc/64/19/97/937641997.db2.gz ZPKQFAPDYCZFTL-MRXNPFEDSA-N 1 0 279.424 3.402 20 10 CGCDRO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@@H](CF)C2)cc1F ZINC001462535098 937648387 /nfs/dbraw/zinc/64/83/87/937648387.db2.gz HOALKQICBKGMCX-NSHDSACASA-N 1 0 286.341 3.212 20 10 CGCDRO CN(C)c1ccc(/C=C\CNc2cc(N(C)C)cc[nH+]2)cc1 ZINC001308345816 933099066 /nfs/dbraw/zinc/09/90/66/933099066.db2.gz XAOMLXALSLKVGE-WAYWQWQTSA-N 1 0 296.418 3.339 20 10 CGCDRO CC[C@@H]1C[N@H+](C/C=C\c2ccc(N(C)C)cc2)C[C@@H](C)O1 ZINC001308632432 933146206 /nfs/dbraw/zinc/14/62/06/933146206.db2.gz ZXMYIPPQXYPVFL-QNRLHKFMSA-N 1 0 288.435 3.265 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H]2C[C@H](OC(C)C)C2(C)C)c(O)c1 ZINC001308671132 933153619 /nfs/dbraw/zinc/15/36/19/933153619.db2.gz ZZLPLOBJFQXCTQ-CVEARBPZSA-N 1 0 277.408 3.382 20 10 CGCDRO CCC[C@]1(COC)CCC[N@@H+]1Cc1ccc(C)cc1O ZINC001308722112 933164051 /nfs/dbraw/zinc/16/40/51/933164051.db2.gz WVHGHFDYMCTQKI-QGZVFWFLSA-N 1 0 277.408 3.482 20 10 CGCDRO C[N@H+](CCC[C@H]1CCO1)Cc1ccc(N2CCCC2)cc1 ZINC001308747714 933170353 /nfs/dbraw/zinc/17/03/53/933170353.db2.gz SBMSVPBGIYDZHB-SFHVURJKSA-N 1 0 288.435 3.288 20 10 CGCDRO CC(C)(C)C[N@H+](CCO)Cc1ccc(N2CCCC2)cc1 ZINC001319823567 933938333 /nfs/dbraw/zinc/93/83/33/933938333.db2.gz PFOANYLJZGXVSW-UHFFFAOYSA-N 1 0 290.451 3.127 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H](C)Cc1cnccn1 ZINC001321022052 934135936 /nfs/dbraw/zinc/13/59/36/934135936.db2.gz AXNOPQRVNIWHKE-NFAWXSAZSA-N 1 0 297.402 3.260 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2C)[C@@H](O)C(F)F ZINC001324848804 934866267 /nfs/dbraw/zinc/86/62/67/934866267.db2.gz SATRBKAOBUUFSU-JNIYBQFBSA-N 1 0 299.361 3.243 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc2c[nH]nc2c1)c1ccccc1O ZINC001473723430 937819244 /nfs/dbraw/zinc/81/92/44/937819244.db2.gz GMWZGFQCZWVEID-NSHDSACASA-N 1 0 267.332 3.119 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCC[C@H](F)C2)cc1F ZINC001326325503 934971046 /nfs/dbraw/zinc/97/10/46/934971046.db2.gz RBUBCZQEGKQVHH-QWHCGFSZSA-N 1 0 268.351 3.262 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2N[C@@H]1CC[NH2+]C12CCC2 ZINC001329150546 935191077 /nfs/dbraw/zinc/19/10/77/935191077.db2.gz YNBXVPLVQMVJTG-UMVBOHGHSA-N 1 0 286.419 3.123 20 10 CGCDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2CCOC(C)(C)C2)cc1F ZINC001329156188 935191474 /nfs/dbraw/zinc/19/14/74/935191474.db2.gz MDZNCFILAZYICX-GFCCVEGCSA-N 1 0 298.377 3.078 20 10 CGCDRO CCCN(Cc1cccnc1N(C)C)c1ccc(C[NH3+])cc1 ZINC001329772180 935245736 /nfs/dbraw/zinc/24/57/36/935245736.db2.gz QMODDLBAUOQFBI-UHFFFAOYSA-N 1 0 298.434 3.023 20 10 CGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@@H](CF)C3)c2c1 ZINC001331044668 935345046 /nfs/dbraw/zinc/34/50/46/935345046.db2.gz BGPYHBKKAACAET-LBPRGKRZSA-N 1 0 289.350 3.345 20 10 CGCDRO Nc1ccc(C[N@H+](CCO)[C@H]2CCCc3ccccc32)cc1 ZINC001335284932 936137261 /nfs/dbraw/zinc/13/72/61/936137261.db2.gz IHYJKNBEBSHPCZ-IBGZPJMESA-N 1 0 296.414 3.141 20 10 CGCDRO CC(C)Oc1ccc(C[NH2+]Cc2ccc(N)cc2)cc1 ZINC001335290153 936137541 /nfs/dbraw/zinc/13/75/41/936137541.db2.gz UHYVSDFKRVNFCO-UHFFFAOYSA-N 1 0 270.376 3.346 20 10 CGCDRO Nc1ccc(C[N@@H+]2CC[C@H](Oc3ccc(F)cc3)C2)cc1 ZINC001336118128 936176525 /nfs/dbraw/zinc/17/65/25/936176525.db2.gz DLYWMFFRYCUHKZ-KRWDZBQOSA-N 1 0 286.350 3.061 20 10 CGCDRO Nc1ccc(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC001336285246 936186255 /nfs/dbraw/zinc/18/62/55/936186255.db2.gz KGQPSHSKDAVVGC-INIZCTEOSA-N 1 0 296.370 3.335 20 10 CGCDRO CCCOc1ccc(C[NH2+]CCC[C@@H](C)CO)cc1C ZINC001474101762 937840196 /nfs/dbraw/zinc/84/01/96/937840196.db2.gz RELUODGHDFIMSW-CQSZACIVSA-N 1 0 279.424 3.282 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C(C)(C)[C@@H]2CCCCO2)cc1F ZINC001474241693 937845795 /nfs/dbraw/zinc/84/57/95/937845795.db2.gz UAGPIDMSNHQHKZ-INIZCTEOSA-N 1 0 294.414 3.329 20 10 CGCDRO COc1ccc(C[N@H+](C)Cc2ccc(C)cc2O)cc1F ZINC001474352675 937853530 /nfs/dbraw/zinc/85/35/30/937853530.db2.gz RQNMNWOBYKTBEI-UHFFFAOYSA-N 1 0 289.350 3.480 20 10 CGCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(=O)[nH]c1 ZINC001474347710 937853662 /nfs/dbraw/zinc/85/36/62/937853662.db2.gz WBYSLMDKQHATCY-UHFFFAOYSA-N 1 0 299.418 3.264 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@H](C)[C@H](F)C1 ZINC001474393364 937857319 /nfs/dbraw/zinc/85/73/19/937857319.db2.gz OWLSWPOPJBNKGB-BLLLJJGKSA-N 1 0 264.388 3.241 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(F)c(F)c2F)c1 ZINC001474634333 937872069 /nfs/dbraw/zinc/87/20/69/937872069.db2.gz DJGLZUODSDMFSX-UHFFFAOYSA-N 1 0 281.277 3.408 20 10 CGCDRO [O-]c1cc(F)c(F)cc1C[NH2+][C@@H](c1ccccn1)C1CC1 ZINC001474718657 937876631 /nfs/dbraw/zinc/87/66/31/937876631.db2.gz NTNPHFMEWXQQME-MRXNPFEDSA-N 1 0 290.313 3.306 20 10 CGCDRO CCCOc1ccc(C[NH2+]CC(C)(C)N(C)C)cc1C ZINC001560247775 938249212 /nfs/dbraw/zinc/24/92/12/938249212.db2.gz YUTWWFABCIBONX-UHFFFAOYSA-N 1 0 278.440 3.214 20 10 CGCDRO CCC[C@@H]1CCC[N@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC001560661535 938268765 /nfs/dbraw/zinc/26/87/65/938268765.db2.gz DUGHSRIHSMKVQB-CYBMUJFWSA-N 1 0 293.407 3.422 20 10 CGCDRO CCC1(C[NH2+]Cc2ccc(Cl)cc2O)CCOCC1 ZINC001560835574 938278628 /nfs/dbraw/zinc/27/86/28/938278628.db2.gz SRJHQHVILZNSKM-UHFFFAOYSA-N 1 0 283.799 3.342 20 10 CGCDRO CC[C@H](C)[N@H+](CCO)Cc1cc(C(C)C)ccc1O ZINC001560835661 938278849 /nfs/dbraw/zinc/27/88/49/938278849.db2.gz VNIGFFNGPVPUEA-ZDUSSCGKSA-N 1 0 265.397 3.108 20 10 CGCDRO CC(=O)c1ccc(N(C)Cc2cccc3c2CC[NH2+]C3)cc1 ZINC001575040713 962337715 /nfs/dbraw/zinc/33/77/15/962337715.db2.gz VPRZNCRNAZRLMH-UHFFFAOYSA-N 1 0 294.398 3.171 20 10 CGCDRO C[C@H]([NH2+]CCc1cscn1)c1ccc(N(C)C)cc1 ZINC000104436570 186001574 /nfs/dbraw/zinc/00/15/74/186001574.db2.gz PSSLNEVHHMPZIK-LBPRGKRZSA-N 1 0 275.421 3.102 20 10 CGCDRO C[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc(F)c(F)c1[O-] ZINC000187701179 299287959 /nfs/dbraw/zinc/28/79/59/299287959.db2.gz NKJFNRFIHKKMDQ-NSHDSACASA-N 1 0 298.377 3.053 20 10 CGCDRO Cc1cccc(C[NH2+]CCc2ccc(F)cc2)c1O ZINC000083432591 370005433 /nfs/dbraw/zinc/00/54/33/370005433.db2.gz OIAASTGKPKKLKW-UHFFFAOYSA-N 1 0 259.324 3.172 20 10 CGCDRO CC[C@@H]([NH2+][C@H](COC)C1CC1)c1ccc(N(C)C)cc1 ZINC000090717406 370064441 /nfs/dbraw/zinc/06/44/41/370064441.db2.gz BVFRQBOSIOBAQK-IAGOWNOFSA-N 1 0 276.424 3.218 20 10 CGCDRO COc1ccc(N2CCC[N@H+](Cc3ccco3)CC2)cc1 ZINC000092380789 370095047 /nfs/dbraw/zinc/09/50/47/370095047.db2.gz VXRLPAOTQFUAHL-UHFFFAOYSA-N 1 0 286.375 3.001 20 10 CGCDRO Cc1ccccc1[C@H](O)C[NH2+]Cc1c(O)cccc1Cl ZINC000113342135 370471362 /nfs/dbraw/zinc/47/13/62/370471362.db2.gz UCISMOVNXYWNHD-MRXNPFEDSA-N 1 0 291.778 3.177 20 10 CGCDRO c1cc(N2CCCC2)ccc1C[NH2+]C1CCSCC1 ZINC000131735517 371127095 /nfs/dbraw/zinc/12/70/95/371127095.db2.gz COFVQQJIVHHKOK-UHFFFAOYSA-N 1 0 276.449 3.272 20 10 CGCDRO Oc1ccccc1C[N@H+](C/C=C/Cl)C[C@@H]1CCCO1 ZINC000135208599 371401692 /nfs/dbraw/zinc/40/16/92/371401692.db2.gz RTOQCLJBZJAQHH-PXYYCUNGSA-N 1 0 281.783 3.126 20 10 CGCDRO CCOCCCC[NH2+][C@H](CC)c1ccccc1O ZINC000155217396 371914164 /nfs/dbraw/zinc/91/41/64/371914164.db2.gz KOAJOBDLJXYUHG-CQSZACIVSA-N 1 0 251.370 3.250 20 10 CGCDRO CCOc1cccc(C[NH2+]CC2(OCC)CCCC2)c1O ZINC000293071976 372292273 /nfs/dbraw/zinc/29/22/73/372292273.db2.gz VMGXIEWCWUCRAD-UHFFFAOYSA-N 1 0 293.407 3.230 20 10 CGCDRO CC[C@H](O)C[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000293346566 372361049 /nfs/dbraw/zinc/36/10/49/372361049.db2.gz GTKAXRXYWBLIBF-PBHICJAKSA-N 1 0 276.424 3.098 20 10 CGCDRO CO[C@H](C[NH2+][C@H](C)c1cc(Cl)ccc1O)C1CC1 ZINC000293567914 372413428 /nfs/dbraw/zinc/41/34/28/372413428.db2.gz BBASRKJNJBJFFP-YMTOWFKASA-N 1 0 269.772 3.121 20 10 CGCDRO COCC(C)(C)C[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000293637093 372433432 /nfs/dbraw/zinc/43/34/32/372433432.db2.gz KNPMPMVLNBCKPM-LBPRGKRZSA-N 1 0 251.370 3.024 20 10 CGCDRO COCC1(CC[NH2+][C@H](C)c2ccccc2O)CCC1 ZINC000293709823 372457272 /nfs/dbraw/zinc/45/72/72/372457272.db2.gz MRHRAXXWDOTGDA-CYBMUJFWSA-N 1 0 263.381 3.250 20 10 CGCDRO C[C@@H](O)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000293794379 372484282 /nfs/dbraw/zinc/48/42/82/372484282.db2.gz QTYWORXYTGBKFJ-PBHICJAKSA-N 1 0 285.387 3.037 20 10 CGCDRO Cc1cc(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)ccc1N(C)C ZINC000293840704 372497278 /nfs/dbraw/zinc/49/72/78/372497278.db2.gz QMAZQTUIIDPZLC-INIZCTEOSA-N 1 0 298.434 3.164 20 10 CGCDRO Cc1cc(C)n(CCC[NH2+][C@H](C)c2cc(C)ccc2O)n1 ZINC000168735407 372617781 /nfs/dbraw/zinc/61/77/81/372617781.db2.gz NLUUVMMJZPHCLX-OAHLLOKOSA-N 1 0 287.407 3.255 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CSCCS2)c(O)c1 ZINC000168819940 372621018 /nfs/dbraw/zinc/62/10/18/372621018.db2.gz LCARNPLESUOYBE-NWDGAFQWSA-N 1 0 283.462 3.200 20 10 CGCDRO CO[C@H](C[NH2+][C@H]1CCc2cccc(O)c21)c1ccccc1 ZINC000295880201 372945486 /nfs/dbraw/zinc/94/54/86/372945486.db2.gz HQYKFRWQWDIHSP-DOTOQJQBSA-N 1 0 283.371 3.357 20 10 CGCDRO C[C@H](CC(C)(C)O)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000296343159 373096572 /nfs/dbraw/zinc/09/65/72/373096572.db2.gz HWQKFELIPMJFLN-OLZOCXBDSA-N 1 0 291.435 3.471 20 10 CGCDRO CCn1ccnc1C[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000296349016 373097882 /nfs/dbraw/zinc/09/78/82/373097882.db2.gz IFVOMUMOSUUQNX-ZDUSSCGKSA-N 1 0 273.380 3.076 20 10 CGCDRO CSC1(C[NH2+][C@@H]2CCc3cccc(O)c32)CCC1 ZINC000296508121 373156659 /nfs/dbraw/zinc/15/66/59/373156659.db2.gz QLEXUIJUBYJWES-GFCCVEGCSA-N 1 0 263.406 3.255 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H](C)CCCO)c1ccc(N(C)C)cc1 ZINC000296526806 373165438 /nfs/dbraw/zinc/16/54/38/373165438.db2.gz QFUQCURDHCQWRZ-WMLDXEAASA-N 1 0 278.440 3.202 20 10 CGCDRO Cc1cccnc1CC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000296532729 373168791 /nfs/dbraw/zinc/16/87/91/373168791.db2.gz QODIRIQEWYNZCC-HNNXBMFYSA-N 1 0 283.419 3.349 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CC[C@@H](CO)C1)c1ccc2ccccc2c1O ZINC000296628739 373200244 /nfs/dbraw/zinc/20/02/44/373200244.db2.gz XGYOUMDIMUPQFY-NFAWXSAZSA-N 1 0 285.387 3.357 20 10 CGCDRO Cc1cccc([C@H](O)C[NH2+][C@@H]2CCc3cccc(O)c32)c1 ZINC000296883456 373250782 /nfs/dbraw/zinc/25/07/82/373250782.db2.gz OICWDLFBQYUVSX-NVXWUHKLSA-N 1 0 283.371 3.011 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)[C@@H](O)c1ccccc1 ZINC000297225022 373260973 /nfs/dbraw/zinc/26/09/73/373260973.db2.gz HLRKQFIHZXINMS-WBHUJUFNSA-N 1 0 283.371 3.091 20 10 CGCDRO Oc1ccccc1C[N@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000179586073 373890798 /nfs/dbraw/zinc/89/07/98/373890798.db2.gz JMVBIJNOGTVQCN-HOCLYGCPSA-N 1 0 287.359 3.073 20 10 CGCDRO COc1ccc(O)c(C[N@H+](C)C(C2CC2)C2CC2)c1 ZINC000179923165 373940036 /nfs/dbraw/zinc/94/00/36/373940036.db2.gz HAQZCZXJTSGWQY-UHFFFAOYSA-N 1 0 261.365 3.021 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CCCC[C@@H](SC)C2)c1 ZINC000180763434 374042226 /nfs/dbraw/zinc/04/22/26/374042226.db2.gz XNZRWVDBMWLWMD-CQSZACIVSA-N 1 0 281.421 3.118 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1nccn1C ZINC000182684959 374313934 /nfs/dbraw/zinc/31/39/34/374313934.db2.gz VOFREIXQSICBAQ-MRXNPFEDSA-N 1 0 298.434 3.043 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)c1ccccc1O ZINC000183622115 374434739 /nfs/dbraw/zinc/43/47/39/374434739.db2.gz FUSPAUQZVVUQBV-XJKCOSOUSA-N 1 0 293.432 3.098 20 10 CGCDRO CCO[C@@H](CC[NH2+][C@@H](C)c1ccccc1O)C(C)C ZINC000183540416 374426302 /nfs/dbraw/zinc/42/63/02/374426302.db2.gz BSUWINAIPZJIMR-BBRMVZONSA-N 1 0 265.397 3.494 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+](C)[C@@H](C)c2ccncc2)c1 ZINC000183712167 374445293 /nfs/dbraw/zinc/44/52/93/374445293.db2.gz AXTZPRGJBJDYFW-ZDUSSCGKSA-N 1 0 256.349 3.289 20 10 CGCDRO Cc1cccc(C[NH2+]C[C@@](C)(O)C2CCCCC2)c1O ZINC000191653393 375648187 /nfs/dbraw/zinc/64/81/87/375648187.db2.gz QTPDZGFCRLKGFQ-QGZVFWFLSA-N 1 0 277.408 3.122 20 10 CGCDRO Cc1nc2ccccc2n1CC[NH2+][C@H](C)c1ccccc1O ZINC000192945814 375806466 /nfs/dbraw/zinc/80/64/66/375806466.db2.gz HLIYIFJNDZVCSM-CYBMUJFWSA-N 1 0 295.386 3.401 20 10 CGCDRO Cc1nc(CC[NH2+][C@H](C)c2ccc(N(C)C)cc2)cs1 ZINC000221951429 376225546 /nfs/dbraw/zinc/22/55/46/376225546.db2.gz POYWFLSNXKJQHL-GFCCVEGCSA-N 1 0 289.448 3.411 20 10 CGCDRO COc1cc(Cl)cc(C[N@H+](C)C[C@@H]2CCCCO2)c1O ZINC000228631109 376444059 /nfs/dbraw/zinc/44/40/59/376444059.db2.gz JKVDJUTZNHWLJA-ZDUSSCGKSA-N 1 0 299.798 3.055 20 10 CGCDRO CC(C)C[C@H](CCO)C[NH2+]Cc1c(O)cccc1Cl ZINC000266594833 378024498 /nfs/dbraw/zinc/02/44/98/378024498.db2.gz AQQRZYPDDPUEGK-LBPRGKRZSA-N 1 0 285.815 3.180 20 10 CGCDRO CCOc1cccc(C[NH2+][C@H]2CCO[C@H](C(C)C)C2)c1O ZINC000271434323 378491750 /nfs/dbraw/zinc/49/17/50/378491750.db2.gz BRCYIZHUSRIIOI-HOCLYGCPSA-N 1 0 293.407 3.084 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCO[C@H](C(C)C)C2)cc1C ZINC000271498668 378494796 /nfs/dbraw/zinc/49/47/96/378494796.db2.gz KFVITIMFLPEOHI-RDJZCZTQSA-N 1 0 277.408 3.302 20 10 CGCDRO CC[C@H]([NH2+]Cc1c[nH]nc1C)c1ccc(N(C)C)cc1 ZINC000271536798 378497516 /nfs/dbraw/zinc/49/75/16/378497516.db2.gz SWHUCOJFZAFVEE-INIZCTEOSA-N 1 0 272.396 3.025 20 10 CGCDRO CC[C@H]([NH2+]C[C@H](O)c1ccccc1F)c1ccccc1O ZINC000271657364 378500349 /nfs/dbraw/zinc/50/03/49/378500349.db2.gz CONMPQFKBQPUFB-RDJZCZTQSA-N 1 0 289.350 3.306 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](CO)CC2)c(O)c1C ZINC000273621871 378757295 /nfs/dbraw/zinc/75/72/95/378757295.db2.gz ZJFHDZWNAPRLMN-KKUMJFAQSA-N 1 0 277.408 3.211 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)Cn1ccnc1)c1cc2c(cc1O)CCCC2 ZINC000273430370 378744916 /nfs/dbraw/zinc/74/49/16/378744916.db2.gz VKQYDPHRPCTPKQ-UONOGXRCSA-N 1 0 299.418 3.207 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)Cn1ccnc1)c1ccc2ccccc2c1O ZINC000273432149 378745841 /nfs/dbraw/zinc/74/58/41/378745841.db2.gz VVKWSVXSKRGGOC-UONOGXRCSA-N 1 0 295.386 3.481 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](C)N(C)C2CC2)c(O)c1C ZINC000273465141 378748193 /nfs/dbraw/zinc/74/81/93/378748193.db2.gz DOVMUGXJMIEQNO-GXTWGEPZSA-N 1 0 276.424 3.142 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)[C@H]2CCCCO2)c1 ZINC000273508852 378750375 /nfs/dbraw/zinc/75/03/75/378750375.db2.gz RLOFLLDEQAATGU-MQIPJXDCSA-N 1 0 279.380 3.009 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2COC3(CCCC3)O2)c(O)c1 ZINC000273531983 378752100 /nfs/dbraw/zinc/75/21/00/378752100.db2.gz WMGHFZBIEYIGBW-UONOGXRCSA-N 1 0 291.391 3.037 20 10 CGCDRO C[C@H]([NH2+]CCc1ccncc1)c1cc(Cl)ccc1O ZINC000273584500 378754060 /nfs/dbraw/zinc/75/40/60/378754060.db2.gz NLVMJVQAUGTRQK-NSHDSACASA-N 1 0 276.767 3.334 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)[C@@H]1CCOC1 ZINC000273586031 378754898 /nfs/dbraw/zinc/75/48/98/378754898.db2.gz NTPLALULGZZVIE-DVOMOZLQSA-N 1 0 289.419 3.347 20 10 CGCDRO C[C@H]([NH2+]Cc1ccn(C)c1)c1cc(Cl)ccc1O ZINC000273615801 378755227 /nfs/dbraw/zinc/75/52/27/378755227.db2.gz XIKZXGRNPNUUSH-JTQLQIEISA-N 1 0 264.756 3.235 20 10 CGCDRO CO[C@H](C[NH2+][C@H](C)c1ccc(C)cc1O)C(C)C ZINC000273597435 378755769 /nfs/dbraw/zinc/75/57/69/378755769.db2.gz RAHXEPYBBQGJGR-IUODEOHRSA-N 1 0 251.370 3.022 20 10 CGCDRO CO[C@@H](C)CC[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000273600667 378756186 /nfs/dbraw/zinc/75/61/86/378756186.db2.gz RWBHMOHCIUGFFE-UWVGGRQHSA-N 1 0 257.761 3.121 20 10 CGCDRO C[C@H]([NH2+]C1CC(N2CCCCC2)C1)c1ccccc1O ZINC000373524953 379292838 /nfs/dbraw/zinc/29/28/38/379292838.db2.gz WDJDOCPRHKKSJM-NFOMZHRRSA-N 1 0 274.408 3.060 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCC3(CCOCC3)[C@H]2C)c1 ZINC000375236865 379488401 /nfs/dbraw/zinc/48/84/01/379488401.db2.gz KBJVPOYWEWIJNL-CQSZACIVSA-N 1 0 275.392 3.092 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCC=C(Br)C2)c1 ZINC000282427173 379918117 /nfs/dbraw/zinc/91/81/17/379918117.db2.gz SXUBMEZZJFWUFE-UHFFFAOYSA-N 1 0 282.181 3.185 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@H](CCO)c2ccco2)c(O)c1 ZINC000284910036 380142293 /nfs/dbraw/zinc/14/22/93/380142293.db2.gz CPCIHJYTSJTKKA-UONOGXRCSA-N 1 0 289.375 3.376 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCc2ccccn2)c(O)c1 ZINC000284130989 380128813 /nfs/dbraw/zinc/12/88/13/380128813.db2.gz OHALRGRCEZQWTA-AWEZNQCLSA-N 1 0 270.376 3.297 20 10 CGCDRO CCc1ncc(C[NH2+]Cc2c(C)c3ccccc3n2C)cn1 ZINC000414448545 380241773 /nfs/dbraw/zinc/24/17/73/380241773.db2.gz RWCDMAGIGHOJOO-UHFFFAOYSA-N 1 0 294.402 3.129 20 10 CGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000355112038 380577459 /nfs/dbraw/zinc/57/74/59/380577459.db2.gz DSPHXAOYYVPNAV-CABCVRRESA-N 1 0 286.419 3.391 20 10 CGCDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1nc(C)ccc1O ZINC000355135305 380593810 /nfs/dbraw/zinc/59/38/10/380593810.db2.gz PJUXZGROTNRPDP-UHFFFAOYSA-N 1 0 295.386 3.186 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCc3nc(C)ncc3C2)c1 ZINC000363855679 382258608 /nfs/dbraw/zinc/25/86/08/382258608.db2.gz AWYJWOCZUIAQNO-IUODEOHRSA-N 1 0 297.402 3.007 20 10 CGCDRO CC[C@@H]([NH2+][C@H]1CCc2nc[nH]c2C1)c1ccc(N(C)C)cc1 ZINC000368100865 382364092 /nfs/dbraw/zinc/36/40/92/382364092.db2.gz IPQMAJPTTNWQGY-GOEBONIOSA-N 1 0 298.434 3.074 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCc3nc[nH]c3C2)cc1 ZINC000368105565 382366461 /nfs/dbraw/zinc/36/64/61/382366461.db2.gz UDYAHSXMSPDCHZ-ZFWWWQNUSA-N 1 0 298.434 3.074 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC(C)(C)[C@H](O)C(C)C)c1 ZINC000186174522 262082549 /nfs/dbraw/zinc/08/25/49/262082549.db2.gz FCPHQDCTNCDLOW-CZUORRHYSA-N 1 0 279.424 3.394 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H]1CCOC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000286934796 392390511 /nfs/dbraw/zinc/39/05/11/392390511.db2.gz AWUWNGDWCROHCF-ZVZYQTTQSA-N 1 0 290.451 3.466 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)cc1C ZINC000121038171 392406255 /nfs/dbraw/zinc/40/62/55/392406255.db2.gz QDZUQDSFUCCBHP-QGZVFWFLSA-N 1 0 298.386 3.057 20 10 CGCDRO CCOc1cccc(C[NH2+]Cc2cccc(C)c2O)c1 ZINC000158106604 392554903 /nfs/dbraw/zinc/55/49/03/392554903.db2.gz RNBKJLIQBZUCDG-UHFFFAOYSA-N 1 0 271.360 3.389 20 10 CGCDRO Cc1nc(C)c(C[N@@H+](C)Cc2ccccc2O)s1 ZINC000172798592 392621233 /nfs/dbraw/zinc/62/12/33/392621233.db2.gz XSJRHRVXYOVFLS-UHFFFAOYSA-N 1 0 262.378 3.098 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](C)CC(C)(C)OC)c1 ZINC000174552256 392643473 /nfs/dbraw/zinc/64/34/73/392643473.db2.gz IREBISZUJOASEJ-LBPRGKRZSA-N 1 0 281.396 3.084 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)CCCO1 ZINC000179394523 392699968 /nfs/dbraw/zinc/69/99/68/392699968.db2.gz VCNKQWKFSAJYCG-MRXNPFEDSA-N 1 0 288.435 3.288 20 10 CGCDRO C[C@H](CCCCO)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000296579488 224646790 /nfs/dbraw/zinc/64/67/90/224646790.db2.gz UFNMZMPMPQWABI-MNOVXSKESA-N 1 0 271.788 3.247 20 10 CGCDRO CCOc1cccc(C[NH2+]CC2(C3CC3)CC2)c1O ZINC000130680527 260398927 /nfs/dbraw/zinc/39/89/27/260398927.db2.gz DJKUISXBLPEQPV-UHFFFAOYSA-N 1 0 261.365 3.071 20 10 CGCDRO CCSCC[C@@H](C)[NH2+]Cc1cccc(C)c1O ZINC000164728190 261358091 /nfs/dbraw/zinc/35/80/91/261358091.db2.gz UCASDEWRQCTLNQ-GFCCVEGCSA-N 1 0 253.411 3.322 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21)c1ccccc1O ZINC000185213786 262046500 /nfs/dbraw/zinc/04/65/00/262046500.db2.gz LGJRFLPQKIYTMV-JYYAWHABSA-N 1 0 275.392 3.391 20 10 CGCDRO Cc1nn(C)cc1[C@@H](C)[NH2+][C@H](C)c1cc(C)ccc1O ZINC000185349410 262051633 /nfs/dbraw/zinc/05/16/33/262051633.db2.gz WPVWMGDVUAQJDV-VXGBXAGGSA-N 1 0 273.380 3.154 20 10 CGCDRO Cc1nn(C)cc1[C@H](C)[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000185349978 262051771 /nfs/dbraw/zinc/05/17/71/262051771.db2.gz PKQCMQRFTPMMJD-RYUDHWBXSA-N 1 0 273.380 3.154 20 10 CGCDRO Cc1nccn1C[C@H](C)C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000185347222 262051903 /nfs/dbraw/zinc/05/19/03/262051903.db2.gz IGGXYACRGMAUJZ-NEPJUHHUSA-N 1 0 291.370 3.023 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@](C)(O)c2cccs2)c1 ZINC000185518582 262057805 /nfs/dbraw/zinc/05/78/05/262057805.db2.gz VREFKYCOQLJKGR-LRDDRELGSA-N 1 0 291.416 3.320 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](CCO)CC(C)C)c1 ZINC000185614967 262062365 /nfs/dbraw/zinc/06/23/65/262062365.db2.gz BLRSEENTWBUOKV-KGLIPLIRSA-N 1 0 295.423 3.096 20 10 CGCDRO C[C@H]([NH2+][C@@H]1C[C@H](C)N(C2CC2)C1)c1cc(Cl)ccc1O ZINC000185671964 262064523 /nfs/dbraw/zinc/06/45/23/262064523.db2.gz WSIXCPIOTRHROA-GMXVVIOVSA-N 1 0 294.826 3.321 20 10 CGCDRO Cc1cc(C[C@@H](C)[NH2+][C@@H](C)c2cc(Cl)ccc2O)[nH]n1 ZINC000186130623 262081190 /nfs/dbraw/zinc/08/11/90/262081190.db2.gz GTNRFFPTHMLBRC-KOLCDFICSA-N 1 0 293.798 3.359 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H](CCO)C(C)(C)C)c(O)c1 ZINC000186397822 262314916 /nfs/dbraw/zinc/31/49/16/262314916.db2.gz LMRHNAFHMMDGLG-SWLSCSKDSA-N 1 0 265.397 3.148 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCc2nccs2)c(O)c1 ZINC000293710430 263147710 /nfs/dbraw/zinc/14/77/10/263147710.db2.gz LWDVHMBKSMZNDH-GFCCVEGCSA-N 1 0 276.405 3.359 20 10 CGCDRO O[C@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000294176858 265000292 /nfs/dbraw/zinc/00/02/92/265000292.db2.gz WQVXEQCOVKXEMF-SFHVURJKSA-N 1 0 288.435 3.024 20 10 CGCDRO COC[C@@H]1CCCC[N@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000368666481 267196215 /nfs/dbraw/zinc/19/62/15/267196215.db2.gz MADJKSUMWJFKJR-OAHLLOKOSA-N 1 0 277.408 3.258 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](c3ccco3)C2)c1O ZINC000371332258 267392460 /nfs/dbraw/zinc/39/24/60/267392460.db2.gz OBYZFJZRSOMJKO-CYBMUJFWSA-N 1 0 287.359 3.373 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1O)c1ccc(C)cc1O ZINC000377096191 268047563 /nfs/dbraw/zinc/04/75/63/268047563.db2.gz YEZRFRPSXGOZSF-YQVWRLOYSA-N 1 0 297.398 3.400 20 10 CGCDRO CN(C)c1ccc(C[NH2+]Cc2cc(F)cc(F)c2)cc1 ZINC000073649818 276883703 /nfs/dbraw/zinc/88/37/03/276883703.db2.gz QKLQLICLXPNNDV-UHFFFAOYSA-N 1 0 276.330 3.321 20 10 CGCDRO CC[C@H]([NH2+][C@@H](CCO)C(C)C)c1ccc(C)cc1O ZINC000280067622 288063318 /nfs/dbraw/zinc/06/33/18/288063318.db2.gz KTMYCRUWSSZBOB-GJZGRUSLSA-N 1 0 265.397 3.148 20 10 CGCDRO C[C@@H]([NH2+]CC1CCSCC1)c1ccccc1O ZINC000167448880 327737275 /nfs/dbraw/zinc/73/72/75/327737275.db2.gz OJOLGCBYPYRVMK-LLVKDONJSA-N 1 0 251.395 3.186 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1CCCOCC1)c1ccc(N(C)C)cc1 ZINC000183343245 327819571 /nfs/dbraw/zinc/81/95/71/327819571.db2.gz IAXDKTPOYDOWMJ-NVXWUHKLSA-N 1 0 276.424 3.362 20 10 CGCDRO C[C@H]([NH2+]CCc1ccc(Cl)nc1)c1cc(F)ccc1O ZINC000185751560 327844141 /nfs/dbraw/zinc/84/41/41/327844141.db2.gz ORPZFAKYOCIZGW-JTQLQIEISA-N 1 0 294.757 3.473 20 10 CGCDRO c1cc(N2CCCCC2)ccc1C[NH2+]CC1=CCCOC1 ZINC000269321825 328082914 /nfs/dbraw/zinc/08/29/14/328082914.db2.gz ZHDZDKKLUAKNKR-UHFFFAOYSA-N 1 0 286.419 3.113 20 10 CGCDRO CC(C)[C@@H](O)C[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000268966212 328187490 /nfs/dbraw/zinc/18/74/90/328187490.db2.gz YUVHBCVFNAQRNR-QAPCUYQASA-N 1 0 290.451 3.344 20 10 CGCDRO C[C@H]1Oc2ccccc2[C@H]1[NH2+]Cc1cc(F)ccc1O ZINC000290243028 328258568 /nfs/dbraw/zinc/25/85/68/328258568.db2.gz UVAAZSJSJBWXGE-HWPZZCPQSA-N 1 0 273.307 3.143 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cnccc1OC)c1ccc(C)cc1O ZINC000294510414 328281234 /nfs/dbraw/zinc/28/12/34/328281234.db2.gz YSJALZPOFFPJEK-OAHLLOKOSA-N 1 0 286.375 3.345 20 10 CGCDRO CC[C@H]([NH2+]Cc1cnccc1OC)c1ccc(C)cc1O ZINC000294510398 328281299 /nfs/dbraw/zinc/28/12/99/328281299.db2.gz YSJALZPOFFPJEK-HNNXBMFYSA-N 1 0 286.375 3.345 20 10 CGCDRO Cc1n[nH]cc1C1CC[NH+](Cc2cccc(C)c2O)CC1 ZINC000375266194 329002032 /nfs/dbraw/zinc/00/20/32/329002032.db2.gz LAGSPDMJCKECED-UHFFFAOYSA-N 1 0 285.391 3.112 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](C3CC3)C2)c1 ZINC000378347513 329047248 /nfs/dbraw/zinc/04/72/48/329047248.db2.gz JHZCRRNKBKJSTB-CYBMUJFWSA-N 1 0 261.365 3.023 20 10 CGCDRO COc1cccc(C[N@@H+]2Cc3ccccc3C3(CC3)C2)c1O ZINC000187678220 329362041 /nfs/dbraw/zinc/36/20/41/329362041.db2.gz FZJLYMJDCLVCMN-UHFFFAOYSA-N 1 0 295.382 3.448 20 10 CGCDRO CC[C@H]([NH2+]CC[C@H]1CCCOC1)c1ccccc1O ZINC000527922708 330295974 /nfs/dbraw/zinc/29/59/74/330295974.db2.gz ANKIKFKWNXLJAZ-HIFRSBDPSA-N 1 0 263.381 3.250 20 10 CGCDRO COCCC1CC[NH+]([C@@H]2CCc3cccc(O)c32)CC1 ZINC000527935311 330297837 /nfs/dbraw/zinc/29/78/37/330297837.db2.gz LOFBCUROLSPUCO-OAHLLOKOSA-N 1 0 275.392 3.128 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCCOC2)c2c1c(F)ccc2O ZINC000527935736 330297902 /nfs/dbraw/zinc/29/79/02/330297902.db2.gz YOXFFSUFXRGOEI-YRGRVCCFSA-N 1 0 293.382 3.486 20 10 CGCDRO CC[C@H]([NH2+]CCc1ccc(OC)nc1)c1ccccc1O ZINC000527991025 330299235 /nfs/dbraw/zinc/29/92/35/330299235.db2.gz UDMGTVMGHLRYKZ-HNNXBMFYSA-N 1 0 286.375 3.079 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1ncccc1F ZINC000528038211 330303252 /nfs/dbraw/zinc/30/32/52/330303252.db2.gz RGXLXYWYGQLSKS-GXFFZTMASA-N 1 0 272.323 3.264 20 10 CGCDRO CC1(C)CC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000162711575 330952502 /nfs/dbraw/zinc/95/25/02/330952502.db2.gz DFIXHFOLGZUHID-MRXNPFEDSA-N 1 0 288.435 3.192 20 10 CGCDRO C[C@@H](CO)CCC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000230159393 333315409 /nfs/dbraw/zinc/31/54/09/333315409.db2.gz RAGZNOCZIUCDNX-MRXNPFEDSA-N 1 0 290.451 3.175 20 10 CGCDRO CC(C)Oc1ccccc1C[NH2+]Cc1ccccc1O ZINC000134227048 334084943 /nfs/dbraw/zinc/08/49/43/334084943.db2.gz AAJSTLIWVHUQKP-UHFFFAOYSA-N 1 0 271.360 3.469 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1nncn1C)c1ccc2ccccc2c1O ZINC000273598054 334767912 /nfs/dbraw/zinc/76/79/12/334767912.db2.gz RCQSLIVYBHOYOI-NEPJUHHUSA-N 1 0 296.374 3.086 20 10 CGCDRO CCCCN(C)C[C@@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000289995369 520414309 /nfs/dbraw/zinc/41/43/09/520414309.db2.gz YRKBVLQKPZQIHI-ZIAGYGMSSA-N 1 0 264.413 3.163 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CCc2ccsc2)cc1 ZINC000042248971 522207830 /nfs/dbraw/zinc/20/78/30/522207830.db2.gz XCVXEPQVARSFBH-UHFFFAOYSA-N 1 0 260.406 3.146 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](C)[C@@H](C)OC)cc1 ZINC000191650445 520287320 /nfs/dbraw/zinc/28/73/20/520287320.db2.gz QBNXVYPZNNQJTN-BFHYXJOUSA-N 1 0 264.413 3.217 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CC(C)(C)CCO)cc1 ZINC000269005639 520287445 /nfs/dbraw/zinc/28/74/45/520287445.db2.gz WBHQALIXUMMPCD-AWEZNQCLSA-N 1 0 278.440 3.202 20 10 CGCDRO CCCOc1ccc(C[NH2+]CCC(O)(CC)CC)c(O)c1 ZINC000276186218 520366213 /nfs/dbraw/zinc/36/62/13/520366213.db2.gz GHTHOQMMOSOQKX-UHFFFAOYSA-N 1 0 295.423 3.212 20 10 CGCDRO CCCCN(C)C[C@@H](C)[NH2+]Cc1cccc(OCC)c1O ZINC000289903594 520413524 /nfs/dbraw/zinc/41/35/24/520413524.db2.gz RCEVCHZPRAYFBK-CQSZACIVSA-N 1 0 294.439 3.001 20 10 CGCDRO CCC[C@@H](CCO)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000152439725 520702806 /nfs/dbraw/zinc/70/28/06/520702806.db2.gz SQUOAOPJMUTVDD-GJZGRUSLSA-N 1 0 278.440 3.202 20 10 CGCDRO CC[N@H+](Cc1ccncc1)Cc1cc(C)ccc1O ZINC000289795170 521419390 /nfs/dbraw/zinc/41/93/90/521419390.db2.gz MGNXKIFGBTWGOR-UHFFFAOYSA-N 1 0 256.349 3.118 20 10 CGCDRO CCC[N@H+](Cc1ncc(C)o1)Cc1ccccc1O ZINC000076074017 521695196 /nfs/dbraw/zinc/69/51/96/521695196.db2.gz RKTUUTVDNRXYCS-UHFFFAOYSA-N 1 0 260.337 3.101 20 10 CGCDRO CC[C@@H](C)C[C@@H](C)[NH2+]Cc1cccc(OC)c1O ZINC000088292932 522019630 /nfs/dbraw/zinc/01/96/30/522019630.db2.gz FWOMTANYTAQHBY-VXGBXAGGSA-N 1 0 251.370 3.315 20 10 CGCDRO CCc1cnc(C[NH2+][C@@H]2CCc3cccc(O)c32)s1 ZINC000297562255 522037847 /nfs/dbraw/zinc/03/78/47/522037847.db2.gz GESQACJPAKVXGB-GFCCVEGCSA-N 1 0 274.389 3.188 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCC[C@H]1CCO)c1ccc(C)cc1O ZINC000280289675 522715621 /nfs/dbraw/zinc/71/56/21/522715621.db2.gz ZBPXVESPKKULQT-CWRNSKLLSA-N 1 0 277.408 3.292 20 10 CGCDRO COC[C@H]1CC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000096832848 522844140 /nfs/dbraw/zinc/84/41/40/522844140.db2.gz HEWHACZVEIGFFZ-ZDUSSCGKSA-N 1 0 271.360 3.014 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)c1ccccc1O ZINC000274804922 522857229 /nfs/dbraw/zinc/85/72/29/522857229.db2.gz WHQXMDGFBDXBFN-UKRRQHHQSA-N 1 0 291.391 3.119 20 10 CGCDRO CCc1nocc1C[N@H+](C)Cc1cc(C)c(C)cc1O ZINC000293531179 522930493 /nfs/dbraw/zinc/93/04/93/522930493.db2.gz BWKSUJCDGRJNCJ-UHFFFAOYSA-N 1 0 274.364 3.191 20 10 CGCDRO CC[C@@H]([NH2+][C@H](CO)Cc1ccccc1)c1ccc(C)cc1O ZINC000280075694 522942212 /nfs/dbraw/zinc/94/22/12/522942212.db2.gz LJTPCVVHBPOZQN-FUHWJXTLSA-N 1 0 299.414 3.345 20 10 CGCDRO CC[C@@H]([NH2+][C@H](CO)CC(C)(C)C)c1ccccc1O ZINC000156814129 522944098 /nfs/dbraw/zinc/94/40/98/522944098.db2.gz VRRAQJDFNQKKPE-GXTWGEPZSA-N 1 0 265.397 3.230 20 10 CGCDRO CC[C@@H]([NH2+][C@H]1CCSC1)c1ccc(N(C)C)cc1 ZINC000271496274 522950545 /nfs/dbraw/zinc/95/05/45/522950545.db2.gz MJONISDUOFKPEL-DZGCQCFKSA-N 1 0 264.438 3.299 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CCc3c2cccc3O)cc1C ZINC000264398970 524086157 /nfs/dbraw/zinc/08/61/57/524086157.db2.gz VJCJLIRITHTQFZ-MRXNPFEDSA-N 1 0 283.371 3.486 20 10 CGCDRO Cc1ccc(C[N@@H+](C)Cc2cc3c(cc2O)OCO3)s1 ZINC000102766021 524396461 /nfs/dbraw/zinc/39/64/61/524396461.db2.gz DUDLJBYTBLGJQY-UHFFFAOYSA-N 1 0 291.372 3.123 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@H]2CCc3ccccc3C2)c1 ZINC000051630747 524754532 /nfs/dbraw/zinc/75/45/32/524754532.db2.gz ZDGFTVAJOJUYRD-INIZCTEOSA-N 1 0 283.371 3.048 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CCSC2)c1O ZINC000279799655 524868607 /nfs/dbraw/zinc/86/86/07/524868607.db2.gz JRFCVRCVOZHUJV-JTQLQIEISA-N 1 0 271.813 3.197 20 10 CGCDRO C[C@@H](Cc1cccs1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000037363275 524933511 /nfs/dbraw/zinc/93/35/11/524933511.db2.gz OUXLJNIMJBJBDM-LBPRGKRZSA-N 1 0 273.401 3.404 20 10 CGCDRO C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(F)cc1[O-] ZINC000062745108 525287283 /nfs/dbraw/zinc/28/72/83/525287283.db2.gz SASPZEMMDBKPPZ-NSHDSACASA-N 1 0 294.414 3.491 20 10 CGCDRO C[C@]12CC[N@H+](Cc3cc(F)ccc3O)C[C@H]1C2(F)F ZINC000292782973 525346445 /nfs/dbraw/zinc/34/64/45/525346445.db2.gz LNSXVRRXCCVVRA-OLZOCXBDSA-N 1 0 271.282 3.008 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](C)CN(C)C(C)C)c1 ZINC000290272821 525362651 /nfs/dbraw/zinc/36/26/51/525362651.db2.gz WHNGQDVQTRCTKI-ZIAGYGMSSA-N 1 0 264.413 3.080 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)[C@H](O)c2ccccc2)c1 ZINC000290522512 525364311 /nfs/dbraw/zinc/36/43/11/525364311.db2.gz ZAKSUJMBEWMTNU-DEYYWGMASA-N 1 0 285.387 3.473 20 10 CGCDRO C[C@H]([NH2+][C@H](CO)C1CCCC1)c1cc(Cl)ccc1O ZINC000290078264 525596203 /nfs/dbraw/zinc/59/62/03/525596203.db2.gz GQTFLQOQTFUUDS-IINYFYTJSA-N 1 0 283.799 3.247 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCOC[C@H]2C)c(O)c1C ZINC000278757314 525937636 /nfs/dbraw/zinc/93/76/36/525937636.db2.gz XICLTSWYJKXDGV-OSAQELSMSA-N 1 0 263.381 3.085 20 10 CGCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]C[C@@H]1CC[C@@H](O)C1 ZINC000276749395 526337621 /nfs/dbraw/zinc/33/76/21/526337621.db2.gz SSBWGKWDECJUHV-RDTXWAMCSA-N 1 0 297.398 3.310 20 10 CGCDRO OCCC1(C[NH2+]Cc2c(O)cccc2Cl)CCCC1 ZINC000266635737 527531939 /nfs/dbraw/zinc/53/19/39/527531939.db2.gz RNQJYQKADMOBSA-UHFFFAOYSA-N 1 0 283.799 3.078 20 10 CGCDRO CC[N@H+](CCc1ccccn1)Cc1ccc(N(C)C)cc1 ZINC000726984760 571697646 /nfs/dbraw/zinc/69/76/46/571697646.db2.gz WLRHHEGIIBKZQJ-UHFFFAOYSA-N 1 0 283.419 3.212 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](C)Cc2cccc(O)c2)cc1C ZINC000731450705 572412925 /nfs/dbraw/zinc/41/29/25/572412925.db2.gz ZNILOSZEMGTKHO-AWEZNQCLSA-N 1 0 285.387 3.430 20 10 CGCDRO COc1ccc(C[NH2+][C@@](C)(CO)C2CCCCC2)cc1C ZINC000740013302 572428564 /nfs/dbraw/zinc/42/85/64/572428564.db2.gz CKHZUKHXKXZQPX-SFHVURJKSA-N 1 0 291.435 3.425 20 10 CGCDRO CC(C)C(C)(C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000733328361 572556334 /nfs/dbraw/zinc/55/63/34/572556334.db2.gz RVUPHLSZEYANTQ-UHFFFAOYSA-N 1 0 252.377 3.416 20 10 CGCDRO Oc1ccccc1C[NH2+]Cc1nc(-c2ccncc2)cs1 ZINC000733331266 572557543 /nfs/dbraw/zinc/55/75/43/572557543.db2.gz ILWQVSOGXMGZTE-UHFFFAOYSA-N 1 0 297.383 3.201 20 10 CGCDRO CSCC[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000733614119 572591837 /nfs/dbraw/zinc/59/18/37/572591837.db2.gz YGARBTFJFQLLSB-UHFFFAOYSA-N 1 0 265.422 3.500 20 10 CGCDRO OCCCCC[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000744398652 572750217 /nfs/dbraw/zinc/75/02/17/572750217.db2.gz XEPCZPVMKGDZNE-UHFFFAOYSA-N 1 0 289.375 3.150 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](OC)C(C)C)cc1F ZINC000744448080 572754011 /nfs/dbraw/zinc/75/40/11/572754011.db2.gz DLVYRWJPVZFDBC-QGZVFWFLSA-N 1 0 296.430 3.433 20 10 CGCDRO COc1ccc(C[N@H+](C)CC2CCCCC2)c(O)c1OC ZINC000891563765 618239298 /nfs/dbraw/zinc/23/92/98/618239298.db2.gz DTFVPKDIHCDISJ-UHFFFAOYSA-N 1 0 293.407 3.422 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CCOC(C)(C)C)cc1 ZINC000308724813 618382944 /nfs/dbraw/zinc/38/29/44/618382944.db2.gz GBPFSXPKFAKNPG-UHFFFAOYSA-N 1 0 278.440 3.438 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2C[C@@H](C)S[C@@H](C)C2)c1 ZINC000092541135 618383927 /nfs/dbraw/zinc/38/39/27/618383927.db2.gz TZQHUZPFQAGXQX-TXEJJXNPSA-N 1 0 251.395 3.026 20 10 CGCDRO COc1ccc(C[NH+]2CCC(C(C)C)CC2)c(O)c1OC ZINC000892118368 618540859 /nfs/dbraw/zinc/54/08/59/618540859.db2.gz XIRJAHMLHDPPOO-UHFFFAOYSA-N 1 0 293.407 3.277 20 10 CGCDRO Cc1cccc(C[NH2+]Cc2cc(Cl)ccc2O)n1 ZINC000051574184 618610745 /nfs/dbraw/zinc/61/07/45/618610745.db2.gz NWGMJQXIXQZGIP-UHFFFAOYSA-N 1 0 262.740 3.039 20 10 CGCDRO C[C@@H]([NH2+]Cc1cc(F)ccc1O)c1ccsc1 ZINC000235206714 618743253 /nfs/dbraw/zinc/74/32/53/618743253.db2.gz BBFJDFXXXNRJKC-SECBINFHSA-N 1 0 251.326 3.444 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCCOCC(F)(F)F)c1 ZINC000184992698 625288860 /nfs/dbraw/zinc/28/88/60/625288860.db2.gz VEWTVNNWBMBYIT-LLVKDONJSA-N 1 0 291.313 3.320 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCN2CCCC[C@@H]2C)c1 ZINC000185027952 625290869 /nfs/dbraw/zinc/29/08/69/625290869.db2.gz JUETUUBMYQVBJJ-LSDHHAIUSA-N 1 0 276.424 3.226 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)C1CC1 ZINC000177227984 618809513 /nfs/dbraw/zinc/80/95/13/618809513.db2.gz NTADBODECBISFU-ZDUSSCGKSA-N 1 0 276.449 3.128 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cccc2c1OCO2 ZINC000924575544 618860108 /nfs/dbraw/zinc/86/01/08/618860108.db2.gz XGNMNVYKYIGQSD-CYBMUJFWSA-N 1 0 298.386 3.332 20 10 CGCDRO CC[C@@H](CSC)[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000168862165 618914229 /nfs/dbraw/zinc/91/42/29/618914229.db2.gz BYEQAFAAEHRENV-RYUDHWBXSA-N 1 0 253.411 3.493 20 10 CGCDRO CCCCCC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000020143684 618975996 /nfs/dbraw/zinc/97/59/96/618975996.db2.gz LTKROLWRTWJPBZ-UHFFFAOYSA-N 1 0 276.424 3.193 20 10 CGCDRO CC[N@H+](CCC(F)(F)F)Cc1cc(C)ccc1O ZINC000092753850 619126279 /nfs/dbraw/zinc/12/62/79/619126279.db2.gz JGKQAYPNLXPTCT-UHFFFAOYSA-N 1 0 261.287 3.475 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cnccc2C)c(O)c1 ZINC000162704180 619134647 /nfs/dbraw/zinc/13/46/47/619134647.db2.gz KWORRHLENVLEMS-CYBMUJFWSA-N 1 0 256.349 3.255 20 10 CGCDRO Cc1noc(CC[NH2+][C@@H](C)c2ccc3ccccc3c2O)n1 ZINC000185972336 619223490 /nfs/dbraw/zinc/22/34/90/619223490.db2.gz YPPXKGXWEPNTBY-NSHDSACASA-N 1 0 297.358 3.130 20 10 CGCDRO CO[C@](C)(C[NH2+]Cc1c(O)cc(C)cc1Cl)C1CC1 ZINC000840947037 619247931 /nfs/dbraw/zinc/24/79/31/619247931.db2.gz CIQIZNZFBDIPLT-OAHLLOKOSA-N 1 0 283.799 3.259 20 10 CGCDRO CO[C@@](C)([C@H](C)[NH2+]Cc1cc(C)c(C)cc1O)C1CC1 ZINC000840961306 619280839 /nfs/dbraw/zinc/28/08/39/619280839.db2.gz UXNYZHGEULJENR-GUYCJALGSA-N 1 0 277.408 3.302 20 10 CGCDRO OC[C@@H]1CCC[C@@H]([NH2+]Cc2ccc3ccccc3c2O)C1 ZINC000840980380 619310922 /nfs/dbraw/zinc/31/09/22/619310922.db2.gz YHQGITYQHFQEFQ-CZUORRHYSA-N 1 0 285.387 3.186 20 10 CGCDRO COc1cc(C)cc(C[N@H+](C)Cc2cccc(O)c2)c1O ZINC000893863987 619324018 /nfs/dbraw/zinc/32/40/18/619324018.db2.gz ODEFKDQHFPZKPZ-UHFFFAOYSA-N 1 0 287.359 3.047 20 10 CGCDRO COc1ccc(C[NH2+]CC(C)(C)C(C)C)c(O)c1OC ZINC000893888446 619329229 /nfs/dbraw/zinc/32/92/29/619329229.db2.gz JWQKIDNYERXJKR-UHFFFAOYSA-N 1 0 281.396 3.181 20 10 CGCDRO CCCN(CCC)c1ccc(C[NH2+][C@H](C)COC)cc1 ZINC000236998839 619383548 /nfs/dbraw/zinc/38/35/48/619383548.db2.gz SXSFVKHQIFJQRW-OAHLLOKOSA-N 1 0 278.440 3.438 20 10 CGCDRO Cc1c(C[NH2+][C@H]2CCc3cccc(O)c32)cccc1[N+](=O)[O-] ZINC000319745309 619465728 /nfs/dbraw/zinc/46/57/28/619465728.db2.gz MJVDZVQUNWHHHH-AWEZNQCLSA-N 1 0 298.342 3.386 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@H](c2cccnc2)C2CC2)c1O ZINC000894367723 619507270 /nfs/dbraw/zinc/50/72/70/619507270.db2.gz IMJURRHPLNBJAG-KRWDZBQOSA-N 1 0 298.386 3.345 20 10 CGCDRO COc1ccc(C[NH+]2CC3(C2)CCCCC3)c(O)c1OC ZINC000894821353 619642468 /nfs/dbraw/zinc/64/24/68/619642468.db2.gz GGGUJVZTHSDDGY-UHFFFAOYSA-N 1 0 291.391 3.176 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CCSC[C@@H]2C2CC2)c1O ZINC000894904176 619679051 /nfs/dbraw/zinc/67/90/51/619679051.db2.gz FSAYLFRBWZMGTJ-CQSZACIVSA-N 1 0 293.432 3.037 20 10 CGCDRO Cc1nccn1CCC[N@@H+](C)Cc1cc(C)cc(C)c1O ZINC000164538856 619713968 /nfs/dbraw/zinc/71/39/68/619713968.db2.gz QAQYZSHDRVTTRJ-UHFFFAOYSA-N 1 0 287.407 3.036 20 10 CGCDRO COc1cc(C)cc(C[NH+]2CC(C)(CC(F)F)C2)c1O ZINC000895077840 619715602 /nfs/dbraw/zinc/71/56/02/619715602.db2.gz KBMXQXXGSVZRNC-UHFFFAOYSA-N 1 0 285.334 3.186 20 10 CGCDRO CC(C)c1c[nH]c(C[NH2+]Cc2cc(Cl)ccc2O)n1 ZINC000895135525 619748013 /nfs/dbraw/zinc/74/80/13/619748013.db2.gz APNZOWIGQHZBFW-UHFFFAOYSA-N 1 0 279.771 3.182 20 10 CGCDRO CCC[N@H+](Cc1ccc(OC)c(OC)c1O)C(C)C ZINC000895204701 619779980 /nfs/dbraw/zinc/77/99/80/619779980.db2.gz HYPPMCJUOLULAM-UHFFFAOYSA-N 1 0 267.369 3.030 20 10 CGCDRO Cc1cc(C[N@@H+]2Cc3cccc(O)c3C2)c2c(n1)CCCC2 ZINC000895784182 619884794 /nfs/dbraw/zinc/88/47/94/619884794.db2.gz DKASGVGUMVYUQT-UHFFFAOYSA-N 1 0 294.398 3.490 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2C[C@@H]3CSC[C@@H]3C2)c(Cl)c1 ZINC000895778625 619885022 /nfs/dbraw/zinc/88/50/22/619885022.db2.gz AXZVHIIQXRZQBY-PHIMTYICSA-N 1 0 283.824 3.149 20 10 CGCDRO Cc1cnc(C[NH2+][C@@H](C)c2ccc(C)cc2O)s1 ZINC000185569296 625385955 /nfs/dbraw/zinc/38/59/55/625385955.db2.gz OFONZMUANXWEEY-NSHDSACASA-N 1 0 262.378 3.316 20 10 CGCDRO Oc1ccc(F)cc1CN[C@H]1c2ccccc2OC[C@@H]1F ZINC000896423488 620007016 /nfs/dbraw/zinc/00/70/16/620007016.db2.gz SHLYDGFZJLCDHQ-BBRMVZONSA-N 1 0 291.297 3.093 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000896585739 620031928 /nfs/dbraw/zinc/03/19/28/620031928.db2.gz WZFFEUVRCJJCMX-MRXNPFEDSA-N 1 0 288.435 3.288 20 10 CGCDRO COC(C)(C)[C@H](C)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000896608497 620036960 /nfs/dbraw/zinc/03/69/60/620036960.db2.gz PPFLBSRVNSFCNQ-JTQLQIEISA-N 1 0 271.788 3.257 20 10 CGCDRO Cc1ccc(C[NH2+]C[C@H]2CCCC3(CCC3)O2)c(O)c1 ZINC000896917831 620100687 /nfs/dbraw/zinc/10/06/87/620100687.db2.gz HIPUGSNWSYYDMG-OAHLLOKOSA-N 1 0 275.392 3.282 20 10 CGCDRO CCOCc1cc(C[NH2+][C@@H]2CC[C@H]2C)ccc1OC ZINC000796526696 620103738 /nfs/dbraw/zinc/10/37/38/620103738.db2.gz PYZHZBYWKBXNIK-IUODEOHRSA-N 1 0 263.381 3.120 20 10 CGCDRO C[C@H]([NH2+]C[C@@]1(C)CCCO1)c1ccc(Cl)cc1O ZINC000841757394 620404471 /nfs/dbraw/zinc/40/44/71/620404471.db2.gz GCJTXKZMFQNWLR-IINYFYTJSA-N 1 0 269.772 3.265 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)Cc1cccnc1 ZINC000897967431 620458628 /nfs/dbraw/zinc/45/86/28/620458628.db2.gz PYDGNZJFSHMSDA-HNNXBMFYSA-N 1 0 283.419 3.177 20 10 CGCDRO Oc1ccc(Cl)cc1CN1CCC([NH2+]C2CCC2)CC1 ZINC000897980982 620461337 /nfs/dbraw/zinc/46/13/37/620461337.db2.gz HGECTUMEKRASDJ-UHFFFAOYSA-N 1 0 294.826 3.152 20 10 CGCDRO Cc1cccc(C[NH2+]C[C@H]2CCCC(C)(C)O2)c1O ZINC000898048680 620464904 /nfs/dbraw/zinc/46/49/04/620464904.db2.gz PHUHDYUMDAQMHU-CQSZACIVSA-N 1 0 263.381 3.138 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CC=CC[C@H]2C)c1 ZINC000898224591 620499501 /nfs/dbraw/zinc/49/95/01/620499501.db2.gz ASWYQXLEUVBVQC-IUODEOHRSA-N 1 0 261.365 3.235 20 10 CGCDRO CCOc1ccc(C[NH2+][C@@H]2CC=CC[C@H]2C)c(O)c1 ZINC000898228479 620499900 /nfs/dbraw/zinc/49/99/00/620499900.db2.gz WHPQCOLQAIMTAE-IUODEOHRSA-N 1 0 261.365 3.235 20 10 CGCDRO C[C@@H]([NH2+]CCc1nc2c(s1)CCC2)c1ccccc1O ZINC000926932347 620550838 /nfs/dbraw/zinc/55/08/38/620550838.db2.gz VBLIFODBWBSGPO-LLVKDONJSA-N 1 0 288.416 3.231 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CCS[C@H](C)C1)c1ccccc1O ZINC000927029771 620564451 /nfs/dbraw/zinc/56/44/51/620564451.db2.gz FRUCIEAFCLJALO-UTUOFQBUSA-N 1 0 251.395 3.327 20 10 CGCDRO Oc1ccccc1C[NH2+]CCCOc1cccc(F)c1 ZINC000898444959 620589329 /nfs/dbraw/zinc/58/93/29/620589329.db2.gz DQJGPCORQAGOTH-UHFFFAOYSA-N 1 0 275.323 3.090 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000898512163 620593645 /nfs/dbraw/zinc/59/36/45/620593645.db2.gz IINYIGTWHHMGBR-JKSUJKDBSA-N 1 0 289.419 3.339 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCC[C@H](C)CC2)c1 ZINC000227542842 625499115 /nfs/dbraw/zinc/49/91/15/625499115.db2.gz YEMPFIBIBZITIH-GXTWGEPZSA-N 1 0 263.381 3.459 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC2(C3(O)CCC3)CC2)c1 ZINC000903258095 621645250 /nfs/dbraw/zinc/64/52/50/621645250.db2.gz PLCVFJNBFGMQRX-CYBMUJFWSA-N 1 0 275.392 3.046 20 10 CGCDRO C[C@H]([NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1cc2c(cc1O)CCCC2 ZINC000903286378 621669579 /nfs/dbraw/zinc/66/95/79/621669579.db2.gz IEOMPIUPTKFXLZ-ONJAMYGTSA-N 1 0 299.414 3.097 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc2nonc2c1)c1ccc(C)cc1O ZINC000903324153 621678816 /nfs/dbraw/zinc/67/88/16/621678816.db2.gz HNSWQJUDYQMRCB-CQSZACIVSA-N 1 0 297.358 3.478 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1COC[C@H]1C)c1cc(Cl)ccc1O ZINC000903393007 621718746 /nfs/dbraw/zinc/71/87/46/621718746.db2.gz DCKIXQFZDYPXJW-JIMOISOXSA-N 1 0 269.772 3.121 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2COC[C@@H]2C2CC2)c(O)c1C ZINC000903437557 621745925 /nfs/dbraw/zinc/74/59/25/621745925.db2.gz PGMOCHBKFOKTKO-APHBMKBZSA-N 1 0 275.392 3.085 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2COC[C@H]2C2CC2)c1O ZINC000903440929 621750055 /nfs/dbraw/zinc/75/00/55/621750055.db2.gz VTOGLNUJBNVQMS-NZVBXONLSA-N 1 0 295.810 3.430 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2CCC[C@@H](C)CC2)c(O)c1 ZINC000227309271 623016254 /nfs/dbraw/zinc/01/62/54/623016254.db2.gz IRIULGXAZDNCBT-OCCSQVGLSA-N 1 0 263.381 3.459 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CCOC(C)C)cc1 ZINC000168959451 623020488 /nfs/dbraw/zinc/02/04/88/623020488.db2.gz NDNOEJORUFTLOJ-UHFFFAOYSA-N 1 0 264.413 3.047 20 10 CGCDRO C[C@H](Cc1ccc(F)cc1)[NH2+]Cc1ccccc1O ZINC000060942113 623082439 /nfs/dbraw/zinc/08/24/39/623082439.db2.gz PZKJKZWJCMPRKP-GFCCVEGCSA-N 1 0 259.324 3.252 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2CCC[C@@H](O)C2)cc1 ZINC000230668697 623258289 /nfs/dbraw/zinc/25/82/89/623258289.db2.gz XFJFPIPZTOJJIR-SJLPKXTDSA-N 1 0 290.451 3.174 20 10 CGCDRO C[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000230659802 623260828 /nfs/dbraw/zinc/26/08/28/623260828.db2.gz PPEDMWQZUWBBGJ-NVXWUHKLSA-N 1 0 288.435 3.049 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)CCO)c1ccc(N2CCCCC2)cc1 ZINC000151906400 623582933 /nfs/dbraw/zinc/58/29/33/623582933.db2.gz NGDMMQYRDNVWEH-LSDHHAIUSA-N 1 0 276.424 3.098 20 10 CGCDRO C[C@@](CO)([NH2+]Cc1ccc2c(c1)CCO2)C1CCCCC1 ZINC000152772322 623709875 /nfs/dbraw/zinc/70/98/75/623709875.db2.gz UMDYJHFVRMYAGG-SFHVURJKSA-N 1 0 289.419 3.042 20 10 CGCDRO CC(C)[N@H+](Cc1c(O)ccc2ccncc21)C1CC1 ZINC000915202336 623915788 /nfs/dbraw/zinc/91/57/88/623915788.db2.gz AJWLVTHZYPBZSD-UHFFFAOYSA-N 1 0 256.349 3.313 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H](C)CSC(C)(C)C)c1 ZINC000089725868 624256953 /nfs/dbraw/zinc/25/69/53/624256953.db2.gz CPWODKMEIILOHC-NSHDSACASA-N 1 0 283.437 3.411 20 10 CGCDRO CO[C@H](C[NH2+][C@H](C)c1ccc(N(C)C)cc1)C(C)(C)C ZINC000154923620 624394432 /nfs/dbraw/zinc/39/44/32/624394432.db2.gz IIOARTUFGGKGGM-CZUORRHYSA-N 1 0 278.440 3.464 20 10 CGCDRO Fc1ccc(C[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC000921470696 624591391 /nfs/dbraw/zinc/59/13/91/624591391.db2.gz JZIBYFVJDHNJTK-UHFFFAOYSA-N 1 0 271.335 3.441 20 10 CGCDRO COc1ccc(O)c(C[N@H+](C)Cc2cccc(F)c2)c1 ZINC000179560860 624665745 /nfs/dbraw/zinc/66/57/45/624665745.db2.gz GAABWOQLFAXXPH-UHFFFAOYSA-N 1 0 275.323 3.172 20 10 CGCDRO Cc1cccc(C[N@H+](C)Cc2ccc(F)cc2)c1O ZINC000179575747 624665934 /nfs/dbraw/zinc/66/59/34/624665934.db2.gz VWNIQJSTVVTKTR-UHFFFAOYSA-N 1 0 259.324 3.472 20 10 CGCDRO CSCC[C@@H](C)[N@H+](C)Cc1cc(F)ccc1O ZINC000180179884 624724020 /nfs/dbraw/zinc/72/40/20/624724020.db2.gz FTNYNLJYBIVORU-SNVBAGLBSA-N 1 0 257.374 3.105 20 10 CGCDRO CC(C)[C@H]1C[N@H+](Cc2cc(F)ccc2O)CCS1 ZINC000180250326 624729779 /nfs/dbraw/zinc/72/97/79/624729779.db2.gz OPLBYPUSRIAGBS-CQSZACIVSA-N 1 0 269.385 3.105 20 10 CGCDRO Oc1ccccc1C[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000238100735 624734391 /nfs/dbraw/zinc/73/43/91/624734391.db2.gz JISIVNSWKVSJHI-UHFFFAOYSA-N 1 0 284.334 3.345 20 10 CGCDRO C[C@H]([NH2+]CCn1cccn1)c1ccc(N2CCCCC2)cc1 ZINC000180430909 624746472 /nfs/dbraw/zinc/74/64/72/624746472.db2.gz WKGLJBRDZDCJBI-INIZCTEOSA-N 1 0 298.434 3.224 20 10 CGCDRO Cc1ccc(C[N@H+](CCO)Cc2cc(C)c(C)cc2O)cc1 ZINC000180846629 624777446 /nfs/dbraw/zinc/77/74/46/624777446.db2.gz ZIMAZRWUZNDDLR-UHFFFAOYSA-N 1 0 299.414 3.312 20 10 CGCDRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000124572907 634428220 /nfs/dbraw/zinc/42/82/20/634428220.db2.gz GFZVNZNTYVLOJA-IINYFYTJSA-N 1 0 279.355 3.497 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+](C)[C@H](C)c2cccnc2)c1 ZINC000183726664 625119730 /nfs/dbraw/zinc/11/97/30/625119730.db2.gz CFRUHWQJNGJNQR-CYBMUJFWSA-N 1 0 256.349 3.289 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2c(O)ccc3ccccc32)[C@H](C)CO1 ZINC000075582737 625182608 /nfs/dbraw/zinc/18/26/08/625182608.db2.gz ARRGNVDPPDXZSA-CHWSQXEVSA-N 1 0 271.360 3.155 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]CCc2ccccc2)c1O ZINC000076274221 625209517 /nfs/dbraw/zinc/20/95/17/625209517.db2.gz DMPRMKAYNZSGCX-UHFFFAOYSA-N 1 0 291.778 3.387 20 10 CGCDRO CCOCCC[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000184830920 625274999 /nfs/dbraw/zinc/27/49/99/625274999.db2.gz BVFIJSVVUGTYGN-ZDUSSCGKSA-N 1 0 277.408 3.348 20 10 CGCDRO C[C@@H]([NH2+]CCN1CCCC1)c1cc2c(cc1O)CCCC2 ZINC000184882718 625279278 /nfs/dbraw/zinc/27/92/78/625279278.db2.gz LFUZDTOBXRNLLZ-CQSZACIVSA-N 1 0 288.435 3.017 20 10 CGCDRO CCC1(C[NH2+]Cc2ccc3c(c2)CCCO3)CCOCC1 ZINC000921806584 625882298 /nfs/dbraw/zinc/88/22/98/625882298.db2.gz QBVLADCVUCJINV-UHFFFAOYSA-N 1 0 289.419 3.308 20 10 CGCDRO C[C@H](C[NH2+]Cc1ccc2c(c1)CCCO2)c1nccs1 ZINC000921996060 625956810 /nfs/dbraw/zinc/95/68/10/625956810.db2.gz VNUNDDKTUBJRTN-GFCCVEGCSA-N 1 0 288.416 3.361 20 10 CGCDRO CC[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)CCO1 ZINC000922192821 625982396 /nfs/dbraw/zinc/98/23/96/625982396.db2.gz XYUDCNWUBULAQG-HOTGVXAUSA-N 1 0 275.392 3.059 20 10 CGCDRO c1cc2c(cc1C[NH2+]C1CCC3(COC3)CC1)CCCO2 ZINC000922335458 625999720 /nfs/dbraw/zinc/99/97/20/625999720.db2.gz KJQSOYXRGJWNGI-UHFFFAOYSA-N 1 0 287.403 3.060 20 10 CGCDRO COc1ccc(C[NH2+]Cc2ccc3c(c2)C[C@H](C)O3)c(O)c1 ZINC000922702530 626036288 /nfs/dbraw/zinc/03/62/88/626036288.db2.gz NKPYWCWKMKJWEI-LBPRGKRZSA-N 1 0 299.370 3.014 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)CCS1 ZINC000922833280 626052809 /nfs/dbraw/zinc/05/28/09/626052809.db2.gz FXNLZOYLQRJWOH-DOMZBBRYSA-N 1 0 277.433 3.385 20 10 CGCDRO C[C@@H]([NH2+]CCN(C)C1CCCCC1)c1cc(F)ccc1O ZINC000756454573 626092937 /nfs/dbraw/zinc/09/29/37/626092937.db2.gz GOJBGMXEZBGSGP-CYBMUJFWSA-N 1 0 294.414 3.446 20 10 CGCDRO CCOc1ccc(C[NH2+]Cc2cccc3c2OCC3)c(O)c1 ZINC000922944549 626104513 /nfs/dbraw/zinc/10/45/13/626104513.db2.gz OYEVNVRBADXEJO-UHFFFAOYSA-N 1 0 299.370 3.016 20 10 CGCDRO CCCCN(C)CC[NH2+][C@H](C)c1ccc(C)cc1O ZINC000756576694 626106831 /nfs/dbraw/zinc/10/68/31/626106831.db2.gz OAFQTQPWBYNMEV-CQSZACIVSA-N 1 0 264.413 3.083 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000178430863 626175332 /nfs/dbraw/zinc/17/53/32/626175332.db2.gz FQETZXHBEGRZMT-CJNGLKHVSA-N 1 0 278.440 3.200 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+][C@H]2C[C@@H](OC(C)C)C2)c1O ZINC000839147716 626317460 /nfs/dbraw/zinc/31/74/60/626317460.db2.gz PILGKWJLOOMCJP-BETUJISGSA-N 1 0 299.798 3.100 20 10 CGCDRO COc1cccc(O)c1C[NH+]1CC(Cc2cccc(C)c2)C1 ZINC000839130720 626321342 /nfs/dbraw/zinc/32/13/42/626321342.db2.gz AKKUDDREWFJOBZ-UHFFFAOYSA-N 1 0 297.398 3.384 20 10 CGCDRO Oc1c(C[NH+]2CC3(C2)CCCOC3)ccc2ccccc21 ZINC000839137578 626322503 /nfs/dbraw/zinc/32/25/03/626322503.db2.gz GBWUGVQFKHQJLJ-UHFFFAOYSA-N 1 0 283.371 3.158 20 10 CGCDRO COc1ncc(C[N@H+](C)Cc2ccccc2O)cc1Cl ZINC000752018772 626415447 /nfs/dbraw/zinc/41/54/47/626415447.db2.gz SQQRTNVQGBJWCG-UHFFFAOYSA-N 1 0 292.766 3.081 20 10 CGCDRO CC(C)C1CC([NH2+]Cc2ccc(N(C)C)c(F)c2)C1 ZINC000752931838 626441968 /nfs/dbraw/zinc/44/19/68/626441968.db2.gz LDGIUDSLQHYFBD-UHFFFAOYSA-N 1 0 264.388 3.416 20 10 CGCDRO Cc1ccc(N2CC[NH+](Cc3ccccc3O)CC2)cc1 ZINC000753576631 626456257 /nfs/dbraw/zinc/45/62/57/626456257.db2.gz OAMZVFZMLZMRNC-UHFFFAOYSA-N 1 0 282.387 3.023 20 10 CGCDRO C[C@H](Cc1ccoc1)[NH2+]Cc1cc(Cl)ccc1O ZINC000754045634 626473084 /nfs/dbraw/zinc/47/30/84/626473084.db2.gz GXXDYKVHQKAABD-SNVBAGLBSA-N 1 0 265.740 3.359 20 10 CGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)CC(C)(C)COC ZINC000756075780 626675207 /nfs/dbraw/zinc/67/52/07/626675207.db2.gz ITBKPESYTXXZBX-UHFFFAOYSA-N 1 0 278.440 3.247 20 10 CGCDRO CCCCOCC[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756503715 626710547 /nfs/dbraw/zinc/71/05/47/626710547.db2.gz LTYFQJPEYOFLPD-DGCLKSJQSA-N 1 0 281.371 3.486 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000756515901 626711385 /nfs/dbraw/zinc/71/13/85/626711385.db2.gz ONZBULKHRKNGDK-CYBMUJFWSA-N 1 0 283.371 3.486 20 10 CGCDRO CCN(CC)C[C@H](C)[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756536407 626713278 /nfs/dbraw/zinc/71/32/78/626713278.db2.gz VKAUFONCDBLXJZ-MBNYWOFBSA-N 1 0 294.414 3.400 20 10 CGCDRO CC[C@H](COC)[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756591286 626718633 /nfs/dbraw/zinc/71/86/33/626718633.db2.gz FDTTTWNPHAYDRA-UMNHJUIQSA-N 1 0 267.344 3.094 20 10 CGCDRO CC(C)n1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2O)n1 ZINC000756595437 626719397 /nfs/dbraw/zinc/71/93/97/626719397.db2.gz VAACNJXQIBAGDC-NSHDSACASA-N 1 0 277.343 3.160 20 10 CGCDRO CCc1cc(C[NH2+][C@H](C)c2cc(Cl)ccc2O)on1 ZINC000756611462 626720865 /nfs/dbraw/zinc/72/08/65/626720865.db2.gz WFEJLDIZBWCCKE-SECBINFHSA-N 1 0 280.755 3.447 20 10 CGCDRO CCC[C@H](CCO)C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756619960 626721522 /nfs/dbraw/zinc/72/15/22/626721522.db2.gz ZHYVDRMZKMZVSG-BZPMIXESSA-N 1 0 295.398 3.468 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](C)c1cc(OC)ccc1O)C1CCOCC1 ZINC000756628481 626722251 /nfs/dbraw/zinc/72/22/51/626722251.db2.gz MNZSRLKKQWAJFC-BLLLJJGKSA-N 1 0 293.407 3.257 20 10 CGCDRO C[C@H]([NH2+][C@@H](CCO)C1CC1)c1ccc2ccccc2c1O ZINC000756741220 626729410 /nfs/dbraw/zinc/72/94/10/626729410.db2.gz WENKATMBRZPDJN-SJCJKPOMSA-N 1 0 285.387 3.357 20 10 CGCDRO Cc1ncc(CC[NH2+][C@@H](C)c2ccc(C)cc2O)s1 ZINC000756762078 626730000 /nfs/dbraw/zinc/73/00/00/626730000.db2.gz SPDSVLOAQJTFBM-NSHDSACASA-N 1 0 276.405 3.359 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ncccc2F)c(O)c1C ZINC000756767970 626730110 /nfs/dbraw/zinc/73/01/10/626730110.db2.gz HLHRJBGCMCZNBC-LBPRGKRZSA-N 1 0 274.339 3.394 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc(F)n2)c(O)c1 ZINC000756768166 626730800 /nfs/dbraw/zinc/73/08/00/626730800.db2.gz KMGJQPFKUQBRFK-NSHDSACASA-N 1 0 260.312 3.086 20 10 CGCDRO COc1ccc(CN(C)Cc2c(O)cccc2Cl)cn1 ZINC000757917779 626813646 /nfs/dbraw/zinc/81/36/46/626813646.db2.gz PAASHOPVOAJUJV-UHFFFAOYSA-N 1 0 292.766 3.081 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)C[C@H](C)OC)cc1F ZINC000809717403 626859688 /nfs/dbraw/zinc/85/96/88/626859688.db2.gz HPSUAHGLIZSOLT-ZDUSSCGKSA-N 1 0 282.403 3.139 20 10 CGCDRO CCc1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)o1 ZINC000760664052 626984618 /nfs/dbraw/zinc/98/46/18/626984618.db2.gz LYAYWIFWLMDYJG-UHFFFAOYSA-N 1 0 257.333 3.067 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCc2ccncc2)c1 ZINC000765004887 627236334 /nfs/dbraw/zinc/23/63/34/627236334.db2.gz YZFIITFTPSXXFJ-CYBMUJFWSA-N 1 0 286.375 3.079 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](C)Cc2cnccn2)cc1 ZINC000765442364 627249926 /nfs/dbraw/zinc/24/99/26/627249926.db2.gz UOHDDNWSIDPJPQ-GJZGRUSLSA-N 1 0 298.434 3.215 20 10 CGCDRO Cn1ccc(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)n1 ZINC000765791517 627271053 /nfs/dbraw/zinc/27/10/53/627271053.db2.gz PQIZSWSOQRDMKR-UHFFFAOYSA-N 1 0 293.370 3.083 20 10 CGCDRO C[C@H]([NH2+]CCOCC1CCC1)c1ccc(N(C)C)cc1 ZINC000765812768 627272935 /nfs/dbraw/zinc/27/29/35/627272935.db2.gz ZDFBSPDGNWKUJX-AWEZNQCLSA-N 1 0 276.424 3.220 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](OC(C)C)C2(C)C)c(O)c1 ZINC000766089773 627294434 /nfs/dbraw/zinc/29/44/34/627294434.db2.gz RAOACBIMXIKOPC-HZPDHXFCSA-N 1 0 293.407 3.083 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCN(C)[C@H](C)C2)cc1 ZINC000766166430 627300849 /nfs/dbraw/zinc/30/08/49/627300849.db2.gz QWMTWXOTPBQQRH-HLLBOEOZSA-N 1 0 289.467 3.276 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H](C)CC(F)(F)F)cc1C ZINC000766479981 627335632 /nfs/dbraw/zinc/33/56/32/627335632.db2.gz REDIKQPRVAWUIQ-SNVBAGLBSA-N 1 0 261.287 3.440 20 10 CGCDRO CN(C)c1ccc(C[NH2+]Cc2ccc3c(n2)CCCC3)cc1 ZINC000767728704 627433012 /nfs/dbraw/zinc/43/30/12/627433012.db2.gz RBSUMBGCPSSREL-UHFFFAOYSA-N 1 0 295.430 3.316 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CCc3cc(O)ccc3C2)cc1C ZINC000767728275 627433127 /nfs/dbraw/zinc/43/31/27/627433127.db2.gz OORSMRMHADALDC-QGZVFWFLSA-N 1 0 297.398 3.356 20 10 CGCDRO C[N@H+](CCOC(C)(C)C)Cc1c(O)ccc2ccncc21 ZINC000767775582 627436235 /nfs/dbraw/zinc/43/62/35/627436235.db2.gz IPLSZPWQERXTQH-UHFFFAOYSA-N 1 0 288.391 3.187 20 10 CGCDRO O=[N+]([O-])c1cc(C[NH2+]CCCF)ccc1N1CCCCC1 ZINC000767926640 627444010 /nfs/dbraw/zinc/44/40/10/627444010.db2.gz OABCYZLNPCGADT-UHFFFAOYSA-N 1 0 295.358 3.034 20 10 CGCDRO CCOc1ccc(C[N@H+](C)[C@@H](C)C(C)C)c(O)c1 ZINC000768269327 627471917 /nfs/dbraw/zinc/47/19/17/627471917.db2.gz MRRYISQFYINRMS-LBPRGKRZSA-N 1 0 251.370 3.267 20 10 CGCDRO CCCCC[N@H+](Cc1cc2c(cc1O)OC[C@H]2O)C(C)C ZINC000768439906 627479883 /nfs/dbraw/zinc/47/98/83/627479883.db2.gz PBSYFZGCVFCSQW-MRXNPFEDSA-N 1 0 293.407 3.219 20 10 CGCDRO COCC[N@H+](CCc1ccccc1)Cc1cc(C)ccc1O ZINC000768587441 627487943 /nfs/dbraw/zinc/48/79/43/627487943.db2.gz XCXPPOXBBFHFAE-UHFFFAOYSA-N 1 0 299.414 3.392 20 10 CGCDRO CC[N@H+](CCC(F)(F)F)Cc1c(O)cccc1OC ZINC000769224907 627531778 /nfs/dbraw/zinc/53/17/78/627531778.db2.gz FFEGPGFFUNCODH-UHFFFAOYSA-N 1 0 277.286 3.175 20 10 CGCDRO CC[N@H+](Cc1ccc(O)cc1)Cc1ccc(N(C)C)cc1 ZINC000769232702 627532502 /nfs/dbraw/zinc/53/25/02/627532502.db2.gz MDMMIYUJRSTWFD-UHFFFAOYSA-N 1 0 284.403 3.480 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CC[C@H](c3ccco3)C2)c(O)c1 ZINC000769390139 627547909 /nfs/dbraw/zinc/54/79/09/627547909.db2.gz QQOWEZGYXQBDLN-AWEZNQCLSA-N 1 0 287.359 3.373 20 10 CGCDRO COC[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000769403867 627549251 /nfs/dbraw/zinc/54/92/51/627549251.db2.gz YASDSQFHYWTFJO-QGZVFWFLSA-N 1 0 288.435 3.145 20 10 CGCDRO CC1=CC[N@H+](Cc2cc(Br)ccc2O)CC1 ZINC000769446786 627553591 /nfs/dbraw/zinc/55/35/91/627553591.db2.gz POZVSWRFHLSRBG-UHFFFAOYSA-N 1 0 282.181 3.307 20 10 CGCDRO CC[N@@H+]1CC[C@@H](N(C)Cc2c(O)cccc2Cl)C[C@@H]1C ZINC000769469666 627556725 /nfs/dbraw/zinc/55/67/25/627556725.db2.gz CMKJVZATJWRVEH-QWHCGFSZSA-N 1 0 296.842 3.350 20 10 CGCDRO CCOc1ccc(O)c(C[N@H+](C)Cc2cccc(C)n2)c1 ZINC000769481003 627558755 /nfs/dbraw/zinc/55/87/55/627558755.db2.gz QKORJZRLIAOVGN-UHFFFAOYSA-N 1 0 286.375 3.126 20 10 CGCDRO CN1CCCc2cc(C[NH2+]C3CC(C(F)F)C3)ccc21 ZINC000769495890 627560069 /nfs/dbraw/zinc/56/00/69/627560069.db2.gz WVXCEJNTGDKPFX-UHFFFAOYSA-N 1 0 280.362 3.202 20 10 CGCDRO Oc1cccc(Cl)c1C[NH+]1CCC(OCC2CC2)CC1 ZINC000769502447 627560712 /nfs/dbraw/zinc/56/07/12/627560712.db2.gz YRTOIUSASUZZDF-UHFFFAOYSA-N 1 0 295.810 3.437 20 10 CGCDRO COc1cccc(O)c1C[N@H+](C)[C@@H]1C[C@](C)(OC)C1(C)C ZINC000769548620 627564933 /nfs/dbraw/zinc/56/49/33/627564933.db2.gz IZCGTDMFPLHALJ-WBVHZDCISA-N 1 0 293.407 3.036 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H](CO)c2ccsc2)c(O)c1 ZINC000769985577 627594947 /nfs/dbraw/zinc/59/49/47/627594947.db2.gz MUEDCZGCEANEDM-SMDDNHRTSA-N 1 0 277.389 3.146 20 10 CGCDRO CCOc1ccc(C[N@H+](C)[C@H](C)C2(C)CC2)c(O)c1 ZINC000770288552 627611772 /nfs/dbraw/zinc/61/17/72/627611772.db2.gz MWYHMRRNZNXYBK-GFCCVEGCSA-N 1 0 263.381 3.411 20 10 CGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H]2CCCC[C@H]2C)c1O ZINC000771791413 627731489 /nfs/dbraw/zinc/73/14/89/627731489.db2.gz LCPHEVXSFHBWTE-MEBBXXQBSA-N 1 0 279.355 3.402 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCCOC[C@@H]2C)cc1C(C)C ZINC000772820510 627826421 /nfs/dbraw/zinc/82/64/21/627826421.db2.gz IHVMHHSDBNDONB-AWEZNQCLSA-N 1 0 277.408 3.435 20 10 CGCDRO Cc1cc(C[NH2+][C@@H](C)c2cncc(F)c2)ccc1N(C)C ZINC000773001937 627840054 /nfs/dbraw/zinc/84/00/54/627840054.db2.gz UMYBDXHWIUZIRA-ZDUSSCGKSA-N 1 0 287.382 3.446 20 10 CGCDRO C[C@@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)c1ccc[nH]1 ZINC000773113971 627857532 /nfs/dbraw/zinc/85/75/32/627857532.db2.gz BYDJQHNFFKJSTR-CHWSQXEVSA-N 1 0 257.381 3.493 20 10 CGCDRO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(N(C)CC)cc1 ZINC000773730732 627908492 /nfs/dbraw/zinc/90/84/92/627908492.db2.gz PZJDMDSEUVNKMS-ZBFHGGJFSA-N 1 0 276.424 3.142 20 10 CGCDRO CCOC[C@@H]1CC[N@H+](Cc2ccc(N(C)CC)cc2)C1 ZINC000773753905 627911323 /nfs/dbraw/zinc/91/13/23/627911323.db2.gz IQGLGESMZYDZHF-MRXNPFEDSA-N 1 0 276.424 3.001 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@H](n3ccnc3)C2)cc1 ZINC000773758817 627912128 /nfs/dbraw/zinc/91/21/28/627912128.db2.gz UWLQFWUXOIGDBD-SFHVURJKSA-N 1 0 298.434 3.176 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)cc1 ZINC000773766752 627914050 /nfs/dbraw/zinc/91/40/50/627914050.db2.gz VFLSMDYGVCQCTD-WMZOPIPTSA-N 1 0 288.435 3.144 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCS[C@@H](C)CC2)cc1 ZINC000773889662 627924893 /nfs/dbraw/zinc/92/48/93/627924893.db2.gz ZVIMPNVNMOXFKQ-AWEZNQCLSA-N 1 0 278.465 3.470 20 10 CGCDRO C[C@H]([NH2+]Cc1cnn2ccccc12)c1ccc(N(C)C)cc1 ZINC000775365139 628086342 /nfs/dbraw/zinc/08/63/42/628086342.db2.gz UOVHRPOHFRDKBV-AWEZNQCLSA-N 1 0 294.402 3.251 20 10 CGCDRO CC[C@H]([NH2+]Cc1nccn1C)c1cc(Cl)ccc1O ZINC000775499367 628101167 /nfs/dbraw/zinc/10/11/67/628101167.db2.gz RMGTYYCHIWUGEM-LBPRGKRZSA-N 1 0 279.771 3.020 20 10 CGCDRO CCC[C@H](O)C[NH2+][C@H](CC)c1cc(Cl)ccc1O ZINC000775503637 628101695 /nfs/dbraw/zinc/10/16/95/628101695.db2.gz LEXMFPHZFGIRSN-WCQYABFASA-N 1 0 271.788 3.247 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCCOC1)c1cc(Cl)ccc1O ZINC000775502811 628102108 /nfs/dbraw/zinc/10/21/08/628102108.db2.gz WCZBHUHCFDMOCP-YPMHNXCESA-N 1 0 269.772 3.265 20 10 CGCDRO CC[C@@H]([NH2+]CC(C)(C)CO)c1cc(Cl)ccc1O ZINC000775521937 628103170 /nfs/dbraw/zinc/10/31/70/628103170.db2.gz FSIZRXYITLHWGH-GFCCVEGCSA-N 1 0 271.788 3.105 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccn(C)n1)c1cc(Cl)ccc1O ZINC000775523944 628103232 /nfs/dbraw/zinc/10/32/32/628103232.db2.gz BLZDAXYYUQQQER-ZDUSSCGKSA-N 1 0 279.771 3.020 20 10 CGCDRO CC[C@H]([NH2+]Cc1cnn(C)c1C)c1cc(Cl)ccc1O ZINC000775524225 628103604 /nfs/dbraw/zinc/10/36/04/628103604.db2.gz DRBCGJQHKSNZTK-AWEZNQCLSA-N 1 0 293.798 3.328 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)C[C@@H]1CCOC1)c1ccccc1O ZINC000775514456 628103615 /nfs/dbraw/zinc/10/36/15/628103615.db2.gz WLZRVUVJPHPHPV-YDHLFZDLSA-N 1 0 263.381 3.248 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@@H]2C2CCOCC2)c1 ZINC000776775410 628231339 /nfs/dbraw/zinc/23/13/39/628231339.db2.gz ASZMLJSXPUQBDE-QGZVFWFLSA-N 1 0 289.419 3.400 20 10 CGCDRO C[C@H]([NH2+]Cc1ccccc1O)C1CCSCC1 ZINC000779016120 628381571 /nfs/dbraw/zinc/38/15/71/628381571.db2.gz DDMJRCBINSZROY-NSHDSACASA-N 1 0 251.395 3.014 20 10 CGCDRO C[C@@H]1c2ccccc2OCC[N@H+]1Cc1ccccc1O ZINC000779000558 628382736 /nfs/dbraw/zinc/38/27/36/628382736.db2.gz ZEUWWRIQVNJUJN-CYBMUJFWSA-N 1 0 269.344 3.348 20 10 CGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H]1CCO[C@@H](C)C1 ZINC000779002058 628382793 /nfs/dbraw/zinc/38/27/93/628382793.db2.gz JQILVDSTYLZBBT-LSDHHAIUSA-N 1 0 277.408 3.419 20 10 CGCDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2cc(F)ccc2O)C12CCC2 ZINC000779034845 628384700 /nfs/dbraw/zinc/38/47/00/628384700.db2.gz VGJFSVYNZDEQIS-HOTGVXAUSA-N 1 0 293.382 3.311 20 10 CGCDRO Cc1cc(Cl)cc(C[N@H+](C)C[C@@H]2CCCC[C@H]2O)c1O ZINC000779153001 628390555 /nfs/dbraw/zinc/39/05/55/628390555.db2.gz IZRGBYPDZUBUQH-SWLSCSKDSA-N 1 0 297.826 3.337 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H]2c2cccnc2)cc1 ZINC000805746833 628719083 /nfs/dbraw/zinc/71/90/83/628719083.db2.gz KQSGKXGXFUZMQM-SFHVURJKSA-N 1 0 281.403 3.485 20 10 CGCDRO Cc1ccccc1[C@H](CO)[NH2+][C@@H](C)c1ccccc1O ZINC000783519120 628720840 /nfs/dbraw/zinc/72/08/40/628720840.db2.gz VZFNGTXGSIACHZ-BBRMVZONSA-N 1 0 271.360 3.085 20 10 CGCDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@@H](C)c2ccccc2O)C1(C)C ZINC000783526155 628721850 /nfs/dbraw/zinc/72/18/50/628721850.db2.gz RVYQOCCJFMDZPI-BAESOJJISA-N 1 0 263.381 3.102 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](C(C)(C)C)C2)cc1OC ZINC000784033293 628770097 /nfs/dbraw/zinc/77/00/97/628770097.db2.gz DWRBPLIRSHCKRM-CYBMUJFWSA-N 1 0 293.407 3.277 20 10 CGCDRO COc1ccc2c(c1)CC[C@H]([NH2+]Cc1ccccc1O)C2 ZINC000784625997 628825740 /nfs/dbraw/zinc/82/57/40/628825740.db2.gz KZABPRVPFPMCLH-INIZCTEOSA-N 1 0 283.371 3.048 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](CO)Cc2cccc(C)c2)cc1C ZINC000786161891 628916993 /nfs/dbraw/zinc/91/69/93/628916993.db2.gz BNFVEDYRBIWRQG-GOSISDBHSA-N 1 0 299.414 3.005 20 10 CGCDRO CO[C@H](C)[C@H](C)[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000786575951 628949334 /nfs/dbraw/zinc/94/93/34/628949334.db2.gz ORBHPUFNYANIOR-KLBPJQLPSA-N 1 0 267.344 3.093 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C2CCC3(CCCO3)CC2)cc1 ZINC000788246209 629042883 /nfs/dbraw/zinc/04/28/83/629042883.db2.gz SSVHZRMLPXRURZ-UHFFFAOYSA-N 1 0 288.435 3.334 20 10 CGCDRO COc1cc([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2)ccn1 ZINC000788504393 629059919 /nfs/dbraw/zinc/05/99/19/629059919.db2.gz PRABVDFZZIIJQI-CYBMUJFWSA-N 1 0 285.391 3.007 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)[C@]1(C)CCCO1 ZINC000788527028 629062749 /nfs/dbraw/zinc/06/27/49/629062749.db2.gz RTZYKQDUZKAMOK-YJBOKZPZSA-N 1 0 288.435 3.334 20 10 CGCDRO C[C@H]1C[C@@H]([NH2+]CCOC(F)(F)F)c2c1c(F)ccc2O ZINC000788980859 629093446 /nfs/dbraw/zinc/09/34/46/629093446.db2.gz OJRBYBYDRDFHEN-IONNQARKSA-N 1 0 293.260 3.206 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)c1 ZINC000789518389 629141287 /nfs/dbraw/zinc/14/12/87/629141287.db2.gz YPURXXPSVDKGPX-CVEARBPZSA-N 1 0 275.392 3.152 20 10 CGCDRO CC(C)(C)[C@H]1C[N@H+](Cc2cc3c(cc2O)CCC3)CCO1 ZINC000790411511 629209406 /nfs/dbraw/zinc/20/94/06/629209406.db2.gz FKVMIUOMYYZQEO-QGZVFWFLSA-N 1 0 289.419 3.128 20 10 CGCDRO CCOc1cccc(C[N@H+](C)Cc2ccn(CC)c2)c1O ZINC000792183548 629345779 /nfs/dbraw/zinc/34/57/79/629345779.db2.gz PNVFFOMSNGILCF-UHFFFAOYSA-N 1 0 288.391 3.244 20 10 CGCDRO Oc1c(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)ccc2ccccc21 ZINC000862530062 629392001 /nfs/dbraw/zinc/39/20/01/629392001.db2.gz ULJBEGDYHSIFHD-DOTOQJQBSA-N 1 0 283.371 3.203 20 10 CGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]1c1ccccc1)OCO2 ZINC000014307557 629441089 /nfs/dbraw/zinc/44/10/89/629441089.db2.gz XRRBJUCSYBXSJD-OAHLLOKOSA-N 1 0 297.354 3.458 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]CCCc1ccccc1F ZINC000793347840 629445968 /nfs/dbraw/zinc/44/59/68/629445968.db2.gz SFNNMJYJJXWUTA-UHFFFAOYSA-N 1 0 277.314 3.393 20 10 CGCDRO COc1ccc(C[NH2+]Cc2cc(Cl)ccc2O)c(O)c1 ZINC000793387289 629453190 /nfs/dbraw/zinc/45/31/90/629453190.db2.gz BUXLDXISPSDJHY-UHFFFAOYSA-N 1 0 293.750 3.050 20 10 CGCDRO COc1cccc(C[N@H+](CC2CC2)C2CCC2)c1O ZINC000793393187 629453908 /nfs/dbraw/zinc/45/39/08/629453908.db2.gz FEENKQRQOUYUNZ-UHFFFAOYSA-N 1 0 261.365 3.165 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H](OC)C(C)C)c1ccc(C)cc1O ZINC000794804203 629579456 /nfs/dbraw/zinc/57/94/56/629579456.db2.gz TXIVWBDCRDOOFM-ZBFHGGJFSA-N 1 0 265.397 3.412 20 10 CGCDRO CC[C@H]([NH2+]Cc1cscn1)c1ccc(C)cc1O ZINC000794805744 629580273 /nfs/dbraw/zinc/58/02/73/629580273.db2.gz QTXDGWCMEGMFRH-ZDUSSCGKSA-N 1 0 262.378 3.398 20 10 CGCDRO c1cc(N2CCCCC2)ccc1CN[C@@H]1CC[NH2+]C12CCC2 ZINC000863483256 629586552 /nfs/dbraw/zinc/58/65/52/629586552.db2.gz TUPRMWKTMGHMMG-GOSISDBHSA-N 1 0 299.462 3.051 20 10 CGCDRO CCOc1ccc(CNc2[nH+]ccn2CC(C)C)c(O)c1 ZINC000795806338 629717898 /nfs/dbraw/zinc/71/78/98/629717898.db2.gz VKDODBXBFREZNC-UHFFFAOYSA-N 1 0 289.379 3.256 20 10 CGCDRO CO[C@@H]1CC[C@H](C)[N@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000864054544 629749093 /nfs/dbraw/zinc/74/90/93/629749093.db2.gz URRKRUCOJSNPLX-WCQYABFASA-N 1 0 298.377 3.030 20 10 CGCDRO CC[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(F)cc1[O-] ZINC000796676020 629813496 /nfs/dbraw/zinc/81/34/96/629813496.db2.gz PNEFORMDKVJYNQ-INIZCTEOSA-N 1 0 294.414 3.448 20 10 CGCDRO Cc1ccc(O)c(C[N@H+](C)Cc2ccc(Cl)nc2)c1 ZINC000125756081 634783637 /nfs/dbraw/zinc/78/36/37/634783637.db2.gz VCHDTWURBKSYQO-UHFFFAOYSA-N 1 0 276.767 3.381 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]C[C@H]2CCC[C@@H]2C)c1 ZINC000798503350 630060607 /nfs/dbraw/zinc/06/06/07/630060607.db2.gz IKIIWENCSUJBTQ-QWHCGFSZSA-N 1 0 263.381 3.317 20 10 CGCDRO CCOc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2C)c(O)c1 ZINC000798506019 630060715 /nfs/dbraw/zinc/06/07/15/630060715.db2.gz QSSVJETXPWJUFO-STQMWFEESA-N 1 0 263.381 3.317 20 10 CGCDRO C[C@@H]([NH2+]C[C@H](CO)CC1CCCC1)c1ccccc1O ZINC000798937560 630127581 /nfs/dbraw/zinc/12/75/81/630127581.db2.gz MPHFJZYFTSSDPB-UKRRQHHQSA-N 1 0 277.408 3.232 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@H+]2CCCC[C@@H]2c2ccnn2C)c1 ZINC000799148080 630150248 /nfs/dbraw/zinc/15/02/48/630150248.db2.gz KQNUMFIEBCYCSN-QGZVFWFLSA-N 1 0 299.418 3.470 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CCCN(C)C2)c1O ZINC000808679237 630294336 /nfs/dbraw/zinc/29/43/36/630294336.db2.gz IEUDJTQQHIZPKS-DGCLKSJQSA-N 1 0 282.815 3.099 20 10 CGCDRO CCCC[N@H+](Cc1ccccc1O)[C@@H](CC)C(=O)OCC ZINC000801598549 630346478 /nfs/dbraw/zinc/34/64/78/630346478.db2.gz CAJBCBCYASGHGT-HNNXBMFYSA-N 1 0 293.407 3.336 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2C[C@H](C)O[C@@H]2C)c(Cl)c1 ZINC000865689613 630360544 /nfs/dbraw/zinc/36/05/44/630360544.db2.gz KVZIEIBZCKSHEM-OPQQBVKSSA-N 1 0 269.772 3.010 20 10 CGCDRO COc1ccc2c(c1)OCC[N@@H+](Cc1cccc(C)c1O)C2 ZINC000802659130 630403959 /nfs/dbraw/zinc/40/39/59/630403959.db2.gz GKVXGJUGHYIFSD-UHFFFAOYSA-N 1 0 299.370 3.104 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]CC[C@@H]2CCCS2)c1 ZINC000865725165 630476606 /nfs/dbraw/zinc/47/66/06/630476606.db2.gz UHVSBGWCWIJWDP-AWEZNQCLSA-N 1 0 281.421 3.166 20 10 CGCDRO COc1ccc(C[NH2+]Cc2cccc3c2CCOC3)cc1C ZINC000865725297 630506111 /nfs/dbraw/zinc/50/61/11/630506111.db2.gz HDXYKEAHPJKDQK-UHFFFAOYSA-N 1 0 297.398 3.366 20 10 CGCDRO c1csc(SCCC[NH2+][C@H]2CC[C@H]2C2CC2)n1 ZINC000806140040 630547879 /nfs/dbraw/zinc/54/78/79/630547879.db2.gz FYIMOVQCQOSMTM-RYUDHWBXSA-N 1 0 268.451 3.404 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H](CO)C(C)C)c1ccc(N(C)C)cc1 ZINC000806170173 630553150 /nfs/dbraw/zinc/55/31/50/630553150.db2.gz WNWPTNVGMUEOSE-NVXWUHKLSA-N 1 0 278.440 3.058 20 10 CGCDRO COC[C@H]1CC[N@@H+]1Cc1cc(C(C)C)c(C)cc1O ZINC000840083997 630583745 /nfs/dbraw/zinc/58/37/45/630583745.db2.gz SQCPKPBJCCSCFC-CQSZACIVSA-N 1 0 263.381 3.045 20 10 CGCDRO CCc1nocc1C[N@H+](C)Cc1cc(C)cc(C)c1O ZINC000840087930 630587345 /nfs/dbraw/zinc/58/73/45/630587345.db2.gz FCLPERTXSKUYAX-UHFFFAOYSA-N 1 0 274.364 3.191 20 10 CGCDRO Oc1cc2c(cc1C[N@@H+]1C[C@@]3(CCCO3)[C@@H]1C1CC1)CCC2 ZINC000840094694 630591062 /nfs/dbraw/zinc/59/10/62/630591062.db2.gz MOXCTPACBLZVAD-OALUTQOASA-N 1 0 299.414 3.024 20 10 CGCDRO c1cc(C[NH2+][C@H](C2CCC2)[C@@H]2CCCO2)cc2c1OCC2 ZINC000865735369 630606468 /nfs/dbraw/zinc/60/64/68/630606468.db2.gz LBKGYWBMZSGLJU-ZWKOTPCHSA-N 1 0 287.403 3.059 20 10 CGCDRO CCCN(CCC)c1ccc(C[NH2+][C@@H](C)CN(C)C)cc1 ZINC000808423126 630643469 /nfs/dbraw/zinc/64/34/69/630643469.db2.gz JVWDLPMNFSAJQD-INIZCTEOSA-N 1 0 291.483 3.353 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCN2CC[C@H](C)C2)c1O ZINC000808701194 630666331 /nfs/dbraw/zinc/66/63/31/630666331.db2.gz YNJQQARZUQBBLR-AAEUAGOBSA-N 1 0 296.842 3.346 20 10 CGCDRO COc1ccc(C[NH2+]C[C@@H](C)CC(C)C)c(O)c1 ZINC000809658345 630777012 /nfs/dbraw/zinc/77/70/12/630777012.db2.gz LODFNZQCYPHAJF-LBPRGKRZSA-N 1 0 251.370 3.173 20 10 CGCDRO COc1cccc(C[NH2+][C@@H]2CCC[C@H]2C(C)C)c1O ZINC000809739834 630796090 /nfs/dbraw/zinc/79/60/90/630796090.db2.gz FHENXCBCSIRMCR-UONOGXRCSA-N 1 0 263.381 3.315 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)CN(C)C(C)C)c(O)c1C ZINC000810244462 630857784 /nfs/dbraw/zinc/85/77/84/630857784.db2.gz DTPOFVGQHIFIMD-ZFWWWQNUSA-N 1 0 278.440 3.388 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)cc1C ZINC000811510873 631079475 /nfs/dbraw/zinc/07/94/75/631079475.db2.gz QNJDXXKQTWQASK-DLBZAZTESA-N 1 0 289.419 3.398 20 10 CGCDRO Oc1ccc(CCNc2cc[nH+]c3c(O)cccc23)cc1O ZINC000811810917 631121910 /nfs/dbraw/zinc/12/19/10/631121910.db2.gz IWIBFKLZELEODM-UHFFFAOYSA-N 1 0 296.326 3.006 20 10 CGCDRO COc1ccsc1C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000813332071 631409989 /nfs/dbraw/zinc/40/99/89/631409989.db2.gz ZNLWPZYEMOWLBJ-JTQLQIEISA-N 1 0 293.388 3.322 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)C(C)(C)COC)cc1 ZINC000814178636 631540283 /nfs/dbraw/zinc/54/02/83/631540283.db2.gz XVDIDWCGHHAPSI-UHFFFAOYSA-N 1 0 278.440 3.390 20 10 CGCDRO Cc1cc(C[N@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)ccc1N(C)C ZINC000815099584 631716079 /nfs/dbraw/zinc/71/60/79/631716079.db2.gz LBJCEAVJMSODIK-SOUVJXGZSA-N 1 0 276.424 3.059 20 10 CGCDRO Cc1cc(C[N@H+]2CC(C)(C)OC[C@@H]2C)ccc1N(C)C ZINC000815102375 631717386 /nfs/dbraw/zinc/71/73/86/631717386.db2.gz OCIZONGMUKVEKS-AWEZNQCLSA-N 1 0 276.424 3.060 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@]3(C2)CCCOC3)cc1 ZINC000815112842 631718999 /nfs/dbraw/zinc/71/89/99/631718999.db2.gz DYAIQUXZRUIJLF-SFHVURJKSA-N 1 0 288.435 3.145 20 10 CGCDRO CCOC[C@H]([NH2+]Cc1ccc(N(C)C)c(C)c1)C(C)C ZINC000815116121 631719885 /nfs/dbraw/zinc/71/98/85/631719885.db2.gz ASXCZJZFIQIIJB-INIZCTEOSA-N 1 0 278.440 3.212 20 10 CGCDRO CCOC[C@@H]([NH2+]Cc1ccc(N(C)CC)cc1)C(C)C ZINC000815116619 631720315 /nfs/dbraw/zinc/72/03/15/631720315.db2.gz XCBPMEOYGOWVTI-QGZVFWFLSA-N 1 0 278.440 3.293 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@]2(C)CCOC2)c(O)c1 ZINC000815579717 631799771 /nfs/dbraw/zinc/79/97/71/631799771.db2.gz SPSBTFSGNQUORE-XJKSGUPXSA-N 1 0 263.381 3.086 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](OC)C1CC1)c1ccc(C)cc1O ZINC000815651519 631813303 /nfs/dbraw/zinc/81/33/03/631813303.db2.gz VTAAPWGGCBJMEE-GOEBONIOSA-N 1 0 263.381 3.166 20 10 CGCDRO CC[C@@H]1CO[C@H](C)CN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816481216 631986714 /nfs/dbraw/zinc/98/67/14/631986714.db2.gz MWHVMLUXRTYHIG-MWLCHTKSSA-N 1 0 287.762 3.184 20 10 CGCDRO Oc1c(C[NH2+]C2CCN(C3CC3)CC2)ccc2ccccc21 ZINC000816531293 632004369 /nfs/dbraw/zinc/00/43/69/632004369.db2.gz MNWOXMRFNDHZCI-UHFFFAOYSA-N 1 0 296.414 3.262 20 10 CGCDRO CC(C)[C@@](C)(O)C[NH2+]Cc1ccc2ccccc2c1O ZINC000816551123 632008619 /nfs/dbraw/zinc/00/86/19/632008619.db2.gz PTXUHAITIKQVDM-KRWDZBQOSA-N 1 0 273.376 3.042 20 10 CGCDRO C[C@@]1(C[NH2+]Cc2ccc3ccccc3c2O)CCOC1 ZINC000816551119 632009050 /nfs/dbraw/zinc/00/90/50/632009050.db2.gz PNYXYXNASRUYBE-KRWDZBQOSA-N 1 0 271.360 3.062 20 10 CGCDRO Oc1c(C[NH2+]C[C@H]2CCC[C@H](O)C2)ccc2ccccc21 ZINC000816553500 632010603 /nfs/dbraw/zinc/01/06/03/632010603.db2.gz XRRAUVWAZIUGSF-BBRMVZONSA-N 1 0 285.387 3.186 20 10 CGCDRO C[C@@]1(C[NH2+]Cc2ccc3ccccc3c2O)CCCO1 ZINC000816557155 632011818 /nfs/dbraw/zinc/01/18/18/632011818.db2.gz GNBHQEBZIJCQDH-KRWDZBQOSA-N 1 0 271.360 3.204 20 10 CGCDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc3ccccc3c2O)CN1C1CC1 ZINC000816556644 632012112 /nfs/dbraw/zinc/01/21/12/632012112.db2.gz PVTKHVWKRKBFDU-XJKSGUPXSA-N 1 0 296.414 3.260 20 10 CGCDRO Oc1c(C[NH+]2CCC3(CCO3)CC2)ccc2ccccc21 ZINC000816600439 632021459 /nfs/dbraw/zinc/02/14/59/632021459.db2.gz XKWAJQYYXDSXAF-UHFFFAOYSA-N 1 0 283.371 3.300 20 10 CGCDRO Oc1ccc(F)cc1CNc1cc2c(c[nH+]1)CCC2 ZINC000816660426 632039267 /nfs/dbraw/zinc/03/92/67/632039267.db2.gz DPMOXPNVGHCFLE-UHFFFAOYSA-N 1 0 258.296 3.027 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(C)nc(C)c2)c1 ZINC000817409510 632141213 /nfs/dbraw/zinc/14/12/13/632141213.db2.gz CXXUVFKZNZAIED-ZDUSSCGKSA-N 1 0 286.375 3.263 20 10 CGCDRO COc1cccc(O)c1C[N@H+](C)C1CC(OC(C)(C)C)C1 ZINC000817416281 632146946 /nfs/dbraw/zinc/14/69/46/632146946.db2.gz YAGMUYKFBKKLSR-UHFFFAOYSA-N 1 0 293.407 3.179 20 10 CGCDRO CC[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(C)cc2O)CCO1 ZINC000817586443 632191783 /nfs/dbraw/zinc/19/17/83/632191783.db2.gz OOXTUQXSUKLLFO-BFHYXJOUSA-N 1 0 263.381 3.309 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2cnccc2N)cc1 ZINC000817889765 632228879 /nfs/dbraw/zinc/22/88/79/632228879.db2.gz VMVMVCWEOVHHHG-AWEZNQCLSA-N 1 0 298.434 3.191 20 10 CGCDRO CCCC[C@H](CN)[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000817961655 632257304 /nfs/dbraw/zinc/25/73/04/632257304.db2.gz BVHDCIJFYXURSD-ZIAGYGMSSA-N 1 0 264.413 3.177 20 10 CGCDRO C[C@H]([NH2+]CC1([NH3+])CCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817965644 632259999 /nfs/dbraw/zinc/25/99/99/632259999.db2.gz YTWZJOWTVSDJJJ-QMMMGPOBSA-N 1 0 289.206 3.231 20 10 CGCDRO C[C@H](C[NH3+])N[C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000817966649 632261169 /nfs/dbraw/zinc/26/11/69/632261169.db2.gz SJRGTCDUKDGFBR-CABCVRRESA-N 1 0 275.440 3.065 20 10 CGCDRO CC[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1cccc(Cl)c1[O-] ZINC000817967887 632261620 /nfs/dbraw/zinc/26/16/20/632261620.db2.gz NDIVZOJXUUZVOA-CQSZACIVSA-N 1 0 280.799 3.006 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1cccc(Cl)c1[O-] ZINC000817970118 632263215 /nfs/dbraw/zinc/26/32/15/632263215.db2.gz LVVOPJUGZYNNSZ-GYSYKLTISA-N 1 0 282.815 3.356 20 10 CGCDRO CC[NH2+][C@H](C)CN[C@H](CC)c1cc(Cl)ccc1O ZINC000817972961 632265891 /nfs/dbraw/zinc/26/58/91/632265891.db2.gz QOJXBEBYRRIISD-ZWNOBZJWSA-N 1 0 270.804 3.084 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(C)cc(N)c2)c1 ZINC000817980129 632269710 /nfs/dbraw/zinc/26/97/10/632269710.db2.gz JAJDPIIAJNFIQT-LBPRGKRZSA-N 1 0 286.375 3.142 20 10 CGCDRO C[C@H](N[C@@H]1CCCC[NH2+]C1)c1ccc2ccccc2c1O ZINC000817984743 632274692 /nfs/dbraw/zinc/27/46/92/632274692.db2.gz YQGVKDPHCKEXAD-DZGCQCFKSA-N 1 0 284.403 3.338 20 10 CGCDRO CC[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818342679 632311108 /nfs/dbraw/zinc/31/11/08/632311108.db2.gz UPBAKFHPYHYVFT-IIDMSEBBSA-N 1 0 288.435 3.300 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]C(C)(C)[C@H]2CCCCO2)c1 ZINC000865746144 632875371 /nfs/dbraw/zinc/87/53/71/632875371.db2.gz MDEKMRSSBDFTHX-MRXNPFEDSA-N 1 0 293.407 3.228 20 10 CGCDRO CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)cc2C)CCO1 ZINC000823851708 633159062 /nfs/dbraw/zinc/15/90/62/633159062.db2.gz XBRRLWXLHNQYFY-DOTOQJQBSA-N 1 0 276.424 3.108 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@H]2CCCc3ccccc3C2)c1 ZINC000823872110 633162738 /nfs/dbraw/zinc/16/27/38/633162738.db2.gz YMTRUDUYDLMEPD-KRWDZBQOSA-N 1 0 297.398 3.438 20 10 CGCDRO CC[C@@H]1C[C@H]([NH2+]CCCSc2nccs2)CCO1 ZINC000823938323 633170762 /nfs/dbraw/zinc/17/07/62/633170762.db2.gz XCSXQXRPXXVLOU-VXGBXAGGSA-N 1 0 286.466 3.173 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H]2CCc3cccc(O)c32)cc1[N+](=O)[O-] ZINC000866540004 633182453 /nfs/dbraw/zinc/18/24/53/633182453.db2.gz JAWYTEYUWXFKHP-CQSZACIVSA-N 1 0 298.342 3.386 20 10 CGCDRO CC[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)CCO1 ZINC000824195587 633210848 /nfs/dbraw/zinc/21/08/48/633210848.db2.gz IIKZBBJHMSCKMV-JLJPHGGASA-N 1 0 276.424 3.361 20 10 CGCDRO Cc1ccccc1OCC[N@@H+](C)Cc1ccccc1O ZINC000121148689 633211662 /nfs/dbraw/zinc/21/16/62/633211662.db2.gz VMUUGQYEACVAHA-UHFFFAOYSA-N 1 0 271.360 3.211 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]CCCC1CCOCC1 ZINC000824477199 633249670 /nfs/dbraw/zinc/24/96/70/633249670.db2.gz JPFZIYPSBGJIQK-UHFFFAOYSA-N 1 0 283.799 3.342 20 10 CGCDRO CC[C@H]([NH2+]C1CCN(c2ccc(OC)cc2)CC1)C(F)F ZINC000824509237 633251572 /nfs/dbraw/zinc/25/15/72/633251572.db2.gz JUJHKLPFALZTHR-HNNXBMFYSA-N 1 0 298.377 3.297 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c1 ZINC000824696973 633273948 /nfs/dbraw/zinc/27/39/48/633273948.db2.gz WKDPZERVEBFOEC-NUJGCVRESA-N 1 0 289.419 3.216 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)c1 ZINC000824702519 633276264 /nfs/dbraw/zinc/27/62/64/633276264.db2.gz MVUVHRHJRICGRZ-XJOINEQPSA-N 1 0 285.387 3.045 20 10 CGCDRO CC[C@](C)(C[NH2+]Cc1ccc2ccccc2c1O)OC ZINC000824743426 633281898 /nfs/dbraw/zinc/28/18/98/633281898.db2.gz BRJYZROBDRPCTI-QGZVFWFLSA-N 1 0 273.376 3.450 20 10 CGCDRO CO[C@@](C)(C[NH2+]Cc1cc(F)ccc1O)c1ccccc1 ZINC000824779683 633287237 /nfs/dbraw/zinc/28/72/37/633287237.db2.gz ACZODKGOFKDPMZ-KRWDZBQOSA-N 1 0 289.350 3.183 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CCCC2(F)F)cc1F ZINC000824798274 633293213 /nfs/dbraw/zinc/29/32/13/633293213.db2.gz BJNIXAXAZZZVDV-GFCCVEGCSA-N 1 0 286.341 3.417 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cc(-c2ccccc2)ccc1O)[C@H](C)O ZINC000824922097 633307195 /nfs/dbraw/zinc/30/71/95/633307195.db2.gz WKXMNXCAEAJQDA-SUMWQHHRSA-N 1 0 285.387 3.308 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2C[C@H](C3CC3)[C@@H]2C2CC2)cc1 ZINC000824942428 633309205 /nfs/dbraw/zinc/30/92/05/633309205.db2.gz ZUKZZVCTXNSUHH-MSOLQXFVSA-N 1 0 270.420 3.373 20 10 CGCDRO CCOc1ccc(C[NH2+]C[C@@H]2C[C@H]2C(C)C)c(O)c1 ZINC000824977365 633313704 /nfs/dbraw/zinc/31/37/04/633313704.db2.gz KYGSLLBIQMZPFK-ZFWWWQNUSA-N 1 0 263.381 3.173 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](C)c1nccn1CC)c1ccccc1O ZINC000825005382 633316795 /nfs/dbraw/zinc/31/67/95/633316795.db2.gz JBZCIHUFJIVUNP-GXTWGEPZSA-N 1 0 273.380 3.411 20 10 CGCDRO CCn1ccnc1[C@@H](C)[NH2+]Cc1cc(C)c(C)cc1O ZINC000825005759 633317789 /nfs/dbraw/zinc/31/77/89/633317789.db2.gz RXBNZWUVUBZRNY-CYBMUJFWSA-N 1 0 273.380 3.076 20 10 CGCDRO FC(F)OC1CCC([NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000825144753 633332197 /nfs/dbraw/zinc/33/21/97/633332197.db2.gz QKMZDEOJOUDOEW-UHFFFAOYSA-N 1 0 297.345 3.262 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]C1CCC(OC(F)F)CC1 ZINC000825144787 633332537 /nfs/dbraw/zinc/33/25/37/633332537.db2.gz RDSLMTGTORGOSO-UHFFFAOYSA-N 1 0 289.297 3.171 20 10 CGCDRO COc1cccc(C[N@@H+]2CCC[C@@]3(CCSC3)C2)c1O ZINC000825215096 633335833 /nfs/dbraw/zinc/33/58/33/633335833.db2.gz GQUJRISBWWYSCO-MRXNPFEDSA-N 1 0 293.432 3.120 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ncccc1OC)c1ccccc1O ZINC000825249374 633339353 /nfs/dbraw/zinc/33/93/53/633339353.db2.gz FGGUKGJBCAHYGT-CYBMUJFWSA-N 1 0 272.348 3.037 20 10 CGCDRO COC(=O)C(C)(C)CC[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825883263 633386291 /nfs/dbraw/zinc/38/62/91/633386291.db2.gz UIEMPQHDLDBBMN-UHFFFAOYSA-N 1 0 299.798 3.033 20 10 CGCDRO Cc1cc(O)c(C[N@@H+](C(C)C)[C@H]2CCOC2)cc1Cl ZINC000825954937 633391594 /nfs/dbraw/zinc/39/15/94/633391594.db2.gz CWKQBCFJDBUAQE-ZDUSSCGKSA-N 1 0 283.799 3.353 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCOC2(C)C)cc1Cl ZINC000826043901 633400154 /nfs/dbraw/zinc/40/01/54/633400154.db2.gz VFLLVABQRMVDIL-CYBMUJFWSA-N 1 0 269.772 3.011 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H]2COC(C)(C)C2)cc1Cl ZINC000826797537 633433715 /nfs/dbraw/zinc/43/37/15/633433715.db2.gz VQYXDWPLFLJAFD-LLVKDONJSA-N 1 0 269.772 3.011 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+]CCC(C)(C)C)C2)cc1 ZINC000826845521 633437045 /nfs/dbraw/zinc/43/70/45/633437045.db2.gz KCCSXYKHHNUNHI-AWEZNQCLSA-N 1 0 276.424 3.300 20 10 CGCDRO Oc1ccccc1C[NH+]1CCC(c2ccco2)CC1 ZINC000826878053 633439691 /nfs/dbraw/zinc/43/96/91/633439691.db2.gz RHDLWYDDDXJRLE-UHFFFAOYSA-N 1 0 257.333 3.365 20 10 CGCDRO Oc1c(C[NH2+]CCO[C@@H]2CC2(F)F)ccc2ccccc21 ZINC000827073263 633454730 /nfs/dbraw/zinc/45/47/30/633454730.db2.gz RGCKFCIMXLUGFX-CQSZACIVSA-N 1 0 293.313 3.059 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H]2C[C@H](O)c3ccccc32)c1O ZINC000827172142 633467485 /nfs/dbraw/zinc/46/74/85/633467485.db2.gz PZHBMRVOCYPPSW-SJORKVTESA-N 1 0 283.371 3.223 20 10 CGCDRO Cc1cc(Cl)cc(C[N@H+](C)CC2=CCCOC2)c1O ZINC000827190256 633469193 /nfs/dbraw/zinc/46/91/93/633469193.db2.gz TXBAMNBWYLYXBU-UHFFFAOYSA-N 1 0 281.783 3.133 20 10 CGCDRO COCc1csc(C[NH2+]Cc2cc(F)ccc2O)c1 ZINC000827236944 633473353 /nfs/dbraw/zinc/47/33/53/633473353.db2.gz IJIYLDJZLLJSEM-UHFFFAOYSA-N 1 0 281.352 3.029 20 10 CGCDRO COc1ccc2c(c1)CC[N@@H+](Cc1cc(F)ccc1O)C2 ZINC000827300276 633480144 /nfs/dbraw/zinc/48/01/44/633480144.db2.gz UDZIBHDMDLCCOV-UHFFFAOYSA-N 1 0 287.334 3.098 20 10 CGCDRO Cc1cccc(C[NH2+]C[C@@H]2C(C)(C)C2(F)F)c1O ZINC000827516043 633496069 /nfs/dbraw/zinc/49/60/69/633496069.db2.gz UFEZVNOAHRVJRH-LLVKDONJSA-N 1 0 255.308 3.082 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCOC(C3CC3)(C3CC3)C2)c1O ZINC000827538576 633497661 /nfs/dbraw/zinc/49/76/61/633497661.db2.gz QKDACPHPGLFQJU-UHFFFAOYSA-N 1 0 287.403 3.092 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)c1cncc(F)c1 ZINC000122775189 633509401 /nfs/dbraw/zinc/50/94/01/633509401.db2.gz FFPYKNDZHUQGBI-ZDUSSCGKSA-N 1 0 287.382 3.446 20 10 CGCDRO COc1ccc(O)c(C[NH2+]Cc2cccc(OC)c2C)c1 ZINC000827780406 633516451 /nfs/dbraw/zinc/51/64/51/633516451.db2.gz WXATVHZBJIEFQL-UHFFFAOYSA-N 1 0 287.359 3.008 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2Cc3cnn(C)c3CC(C)(C)C2)c1 ZINC000828018167 633549214 /nfs/dbraw/zinc/54/92/14/633549214.db2.gz HCLYHQOPHKCNTJ-UHFFFAOYSA-N 1 0 299.418 3.019 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(C)ccc2O)c1 ZINC000845973446 636126322 /nfs/dbraw/zinc/12/63/22/636126322.db2.gz ZTCNIEAINRZFMH-GFCCVEGCSA-N 1 0 287.359 3.266 20 10 CGCDRO Cc1cccc(C[NH2+][C@H](C)[C@@](C)(O)c2ccccc2)c1O ZINC000846035460 636133590 /nfs/dbraw/zinc/13/35/90/636133590.db2.gz HWIOSMDKPICNFS-RDTXWAMCSA-N 1 0 285.387 3.086 20 10 CGCDRO CC[C@H](CO)[N@H+](C)Cc1ccc(N2CCCCC2)c(C)c1 ZINC000830352000 633855541 /nfs/dbraw/zinc/85/55/41/633855541.db2.gz GFMBTGGCOOCSOJ-QGZVFWFLSA-N 1 0 290.451 3.188 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1)c1ccccc1O ZINC000872109621 634033864 /nfs/dbraw/zinc/03/38/64/634033864.db2.gz PBTXYYXPVZTUCB-QCQGSNGOSA-N 1 0 261.365 3.000 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1)c1ccc(N(C)C)cc1 ZINC000872109467 634034028 /nfs/dbraw/zinc/03/40/28/634034028.db2.gz NKNCMWBEFWCFSM-QXRTWZOPSA-N 1 0 288.435 3.361 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+][C@H](C)C(C)(C)C)c1O ZINC000846211066 636159471 /nfs/dbraw/zinc/15/94/71/636159471.db2.gz AKMKJSKYKWLYDW-GHMZBOCLSA-N 1 0 251.370 3.486 20 10 CGCDRO COc1ccccc1OCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834492664 634173707 /nfs/dbraw/zinc/17/37/07/634173707.db2.gz ZUIKYOBSDDCKEN-AWEZNQCLSA-N 1 0 299.370 3.057 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@@H]3CSC[C@@H]3C2)c1 ZINC000872723348 634196371 /nfs/dbraw/zinc/19/63/71/634196371.db2.gz XQNIPBNWRKJQGE-HIFRSBDPSA-N 1 0 277.433 3.194 20 10 CGCDRO COC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834611504 634196988 /nfs/dbraw/zinc/19/69/88/634196988.db2.gz LUPWDHUXNJNXDB-IAGOWNOFSA-N 1 0 297.398 3.227 20 10 CGCDRO C[C@H](C[NH2+][C@@H]1CCc2cccc(O)c21)Oc1ccccc1 ZINC000834649904 634208389 /nfs/dbraw/zinc/20/83/89/634208389.db2.gz BMJHJBIGAIOJPP-CZUORRHYSA-N 1 0 283.371 3.437 20 10 CGCDRO CCC(CC)[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873007039 634231155 /nfs/dbraw/zinc/23/11/55/634231155.db2.gz VZUCNBRZKFYUDD-UHFFFAOYSA-N 1 0 287.407 3.218 20 10 CGCDRO CCCOc1ccc(C[NH2+]C[C@@]2(C)CCOC2)cc1C ZINC000873049312 634237517 /nfs/dbraw/zinc/23/75/17/634237517.db2.gz FTKWEUKLOXWHPL-QGZVFWFLSA-N 1 0 277.408 3.300 20 10 CGCDRO CCCOc1ccc(C[NH2+]CC[C@@H]2CCOC2)cc1C ZINC000873103471 634246364 /nfs/dbraw/zinc/24/63/64/634246364.db2.gz CMTATHOOTNZUSM-OAHLLOKOSA-N 1 0 277.408 3.300 20 10 CGCDRO C[C@@H](CCCCO)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000834878972 634263034 /nfs/dbraw/zinc/26/30/34/634263034.db2.gz UYBUBGJKUZLTOT-KBPBESRZSA-N 1 0 291.435 3.473 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]CCC[C@H]2CCOC2)c2c1c(F)ccc2O ZINC000834902592 634278743 /nfs/dbraw/zinc/27/87/43/634278743.db2.gz HIBGRVWFLYNDIG-MBNYWOFBSA-N 1 0 293.382 3.486 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H]1CCC[C@H]1O)c1cccc(Cl)c1[O-] ZINC000834903381 634279973 /nfs/dbraw/zinc/27/99/73/634279973.db2.gz PAJWKZWCSVVUCO-LEWSCRJBSA-N 1 0 283.799 3.247 20 10 CGCDRO C[C@@H]([NH2+]C[C@H](O)C1CCC1)c1cc2c(cc1O)CCCC2 ZINC000834905364 634281154 /nfs/dbraw/zinc/28/11/54/634281154.db2.gz GLDDDUKWYZRBOJ-XIKOKIGWSA-N 1 0 289.419 3.083 20 10 CGCDRO Cc1cnc(CC[NH2+][C@@H](C)c2cc(Cl)ccc2O)cn1 ZINC000834908196 634283217 /nfs/dbraw/zinc/28/32/17/634283217.db2.gz HYWDMCRQNNPHKE-NSHDSACASA-N 1 0 291.782 3.037 20 10 CGCDRO Cc1cnc(CC[NH2+][C@H](C)c2cc(Cl)ccc2O)cn1 ZINC000834908194 634283371 /nfs/dbraw/zinc/28/33/71/634283371.db2.gz HYWDMCRQNNPHKE-LLVKDONJSA-N 1 0 291.782 3.037 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]CCC1CC(F)(F)C1)CC2 ZINC000834910727 634285608 /nfs/dbraw/zinc/28/56/08/634285608.db2.gz YSCXXMHYRCIGHS-LBPRGKRZSA-N 1 0 267.319 3.405 20 10 CGCDRO COCC1CC[NH+](C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000835027307 634325409 /nfs/dbraw/zinc/32/54/09/634325409.db2.gz LBEUNZAGNNXXOR-PLNGDYQASA-N 1 0 288.435 3.124 20 10 CGCDRO COC[C@H]1CCC[N@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835028918 634325506 /nfs/dbraw/zinc/32/55/06/634325506.db2.gz NGSSRDOUHRVJOD-YXMMZVCTSA-N 1 0 288.435 3.124 20 10 CGCDRO CN(C)c1ccc(/C=C/C[N@H+](C)C[C@@H]2CCCOC2)cc1 ZINC000835029688 634326043 /nfs/dbraw/zinc/32/60/43/634326043.db2.gz YUGKYUSQLJCBLW-YXMMZVCTSA-N 1 0 288.435 3.124 20 10 CGCDRO CC[N@H+](C/C=C\c1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000835029649 634326249 /nfs/dbraw/zinc/32/62/49/634326249.db2.gz YLPRQWNCHOBMKZ-LZCIBIBXSA-N 1 0 288.435 3.267 20 10 CGCDRO CCN(CC[NH2+]C/C=C/c1ccc(N(C)C)cc1)C(C)C ZINC000835035250 634327633 /nfs/dbraw/zinc/32/76/33/634327633.db2.gz FCLKWSORHNFRAK-BQYQJAHWSA-N 1 0 289.467 3.086 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H](CO)c2ccccc2)cc1 ZINC000835039127 634328463 /nfs/dbraw/zinc/32/84/63/634328463.db2.gz GLOSDIWXSNLUON-RURPWVQCSA-N 1 0 296.414 3.089 20 10 CGCDRO CCC(CC)[C@H](O)C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835041532 634329514 /nfs/dbraw/zinc/32/95/14/634329514.db2.gz YDHXWCUQXXXMGB-LKGOPFMKSA-N 1 0 290.451 3.153 20 10 CGCDRO C[C@H](C[C@@H]1CCOC1)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835041852 634329641 /nfs/dbraw/zinc/32/96/41/634329641.db2.gz FKKPSJZDXWTJBS-BUZJKLBMSA-N 1 0 288.435 3.171 20 10 CGCDRO CC(C)n1ccc(C[NH2+]C/C=C/c2ccc(N(C)C)cc2)n1 ZINC000835039726 634329814 /nfs/dbraw/zinc/32/98/14/634329814.db2.gz JFCKJXRGOIIVFV-AATRIKPKSA-N 1 0 298.434 3.333 20 10 CGCDRO CN(C)c1ccc(C=CC[NH2+][C@@H]2CCCc3cn[nH]c32)cc1 ZINC000835043103 634330387 /nfs/dbraw/zinc/33/03/87/634330387.db2.gz MVCBOZQIUOLJPF-LAQIPUCWSA-N 1 0 296.418 3.156 20 10 CGCDRO COCC1=CC[N@H+](C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000835044447 634331194 /nfs/dbraw/zinc/33/11/94/634331194.db2.gz CWOMOFLRBNDUMQ-PLNGDYQASA-N 1 0 286.419 3.044 20 10 CGCDRO CO[C@]1(C)CCC[N@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835054518 634338162 /nfs/dbraw/zinc/33/81/62/634338162.db2.gz QRQMNCCZRHVFLF-LZCIBIBXSA-N 1 0 288.435 3.267 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@H](C2CC2)C2CCC2)c1 ZINC000835070538 634344474 /nfs/dbraw/zinc/34/44/74/634344474.db2.gz OUDVFDUTWWQQHX-KRWDZBQOSA-N 1 0 275.392 3.459 20 10 CGCDRO COc1cc(O)c(C[NH2+][C@H](C2CC2)C2CCC2)cc1OC ZINC000835071057 634344621 /nfs/dbraw/zinc/34/46/21/634344621.db2.gz VYSIJBQKJJXDQI-KRWDZBQOSA-N 1 0 291.391 3.078 20 10 CGCDRO CCC(C)(C)OCC[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000835084283 634348965 /nfs/dbraw/zinc/34/89/65/634348965.db2.gz DNKLQVSDOSSGDV-UHFFFAOYSA-N 1 0 282.403 3.187 20 10 CGCDRO CC[N@H+](Cc1c(C)noc1C)Cc1ccc(N(C)C)cc1 ZINC000102675963 634836595 /nfs/dbraw/zinc/83/65/95/634836595.db2.gz GEHOUNHLMFNRQF-UHFFFAOYSA-N 1 0 287.407 3.380 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCO[C@H](c3cccs3)C2)c(O)c1 ZINC000876645009 634874453 /nfs/dbraw/zinc/87/44/53/634874453.db2.gz HIGJHHYDMJPQQD-HNNXBMFYSA-N 1 0 289.400 3.336 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCCC[C@H]2c2ncc[nH]2)c(O)c1 ZINC000876657509 634876705 /nfs/dbraw/zinc/87/67/05/634876705.db2.gz GEQCWSRWNKWADW-AWEZNQCLSA-N 1 0 271.364 3.151 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+](C)[C@H](C)Cc1ccc(O)cc1 ZINC000876724343 634886582 /nfs/dbraw/zinc/88/65/82/634886582.db2.gz UMFSIFALKDPOBT-CQSZACIVSA-N 1 0 285.387 3.469 20 10 CGCDRO Cc1cccc(O)c1CN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000876763870 634895771 /nfs/dbraw/zinc/89/57/71/634895771.db2.gz MGTVAGOZAGLAOE-CVEARBPZSA-N 1 0 288.435 3.148 20 10 CGCDRO Cc1ccc(C[NH+]2CCC(C3CCOCC3)CC2)c(O)c1 ZINC000876772922 634896562 /nfs/dbraw/zinc/89/65/62/634896562.db2.gz UOVHVGUTXWQANJ-UHFFFAOYSA-N 1 0 289.419 3.339 20 10 CGCDRO COCc1ccccc1C[NH2+]Cc1ccc(C)cc1O ZINC000876911078 634926885 /nfs/dbraw/zinc/92/68/85/634926885.db2.gz UMMNSLXSAYKZCG-UHFFFAOYSA-N 1 0 271.360 3.137 20 10 CGCDRO COc1cc(C[NH2+]Cc2ccc(C)cc2O)ccc1C ZINC000876980916 634942406 /nfs/dbraw/zinc/94/24/06/634942406.db2.gz JHSXHZHGCMFFJB-UHFFFAOYSA-N 1 0 271.360 3.307 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]CCOc1ccc(F)cc1F ZINC000877014362 634950565 /nfs/dbraw/zinc/95/05/65/634950565.db2.gz XSIIQRLTZYRUBI-UHFFFAOYSA-N 1 0 293.313 3.147 20 10 CGCDRO CS[C@@H]1CCC[C@H]([NH2+]Cc2c(C)cccc2O)C1 ZINC000877035178 634958118 /nfs/dbraw/zinc/95/81/18/634958118.db2.gz CZVXNLKSJNCUDH-QWHCGFSZSA-N 1 0 265.422 3.464 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]CCCc1ccc(O)cc1 ZINC000877036453 634958218 /nfs/dbraw/zinc/95/82/18/634958218.db2.gz QSTYXGOXOOZPOB-UHFFFAOYSA-N 1 0 271.360 3.129 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]CCc1ccc(Cl)nc1 ZINC000877084688 634978676 /nfs/dbraw/zinc/97/86/76/634978676.db2.gz ICUXQMJNXRTQGZ-UHFFFAOYSA-N 1 0 276.767 3.081 20 10 CGCDRO Cc1ccc(C[NH2+]C[C@H](C[C@H](C)O)c2ccccc2)c(O)c1 ZINC000877093463 634982426 /nfs/dbraw/zinc/98/24/26/634982426.db2.gz HXRKACGIMITRPJ-YJBOKZPZSA-N 1 0 299.414 3.345 20 10 CGCDRO COc1cc(F)cc(C[NH2+]Cc2ccc(C)cc2O)c1 ZINC000877119673 634990396 /nfs/dbraw/zinc/99/03/96/634990396.db2.gz KKFAVBPIGOTPOU-UHFFFAOYSA-N 1 0 275.323 3.138 20 10 CGCDRO Cc1ccc(C[NH2+]CC(=O)Nc2c(C)cccc2C)c(O)c1 ZINC000877143719 635001001 /nfs/dbraw/zinc/00/10/01/635001001.db2.gz ADWDBAHHQJFYKB-UHFFFAOYSA-N 1 0 298.386 3.046 20 10 CGCDRO Cc1ccc(C[NH2+]C[C@@H](c2ccccc2)N(C)C)c(O)c1 ZINC000877142730 635001274 /nfs/dbraw/zinc/00/12/74/635001274.db2.gz UZDXFJFWHLZASS-KRWDZBQOSA-N 1 0 284.403 3.093 20 10 CGCDRO Cc1ccc(C[N@@H+](C)[C@@H](C)c2cccnc2)c(O)c1 ZINC000877317136 635024795 /nfs/dbraw/zinc/02/47/95/635024795.db2.gz HEQQSBAOZYJVCD-ZDUSSCGKSA-N 1 0 256.349 3.289 20 10 CGCDRO Cc1cnc([C@H](C)C[NH2+]Cc2ccc(C)cc2O)s1 ZINC000877342016 635028921 /nfs/dbraw/zinc/02/89/21/635028921.db2.gz XRVGVHXUIOYEID-LLVKDONJSA-N 1 0 276.405 3.359 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)[C@H]1C[C@@H]1C ZINC000840718564 635041413 /nfs/dbraw/zinc/04/14/13/635041413.db2.gz ZFQJTCMXYAONQV-AFIMGQEJSA-N 1 0 288.435 3.218 20 10 CGCDRO Cc1ccc(C[NH2+][C@H]2CCc3cc(O)ccc3C2)c(O)c1 ZINC000877480445 635053529 /nfs/dbraw/zinc/05/35/29/635053529.db2.gz VVGAKIMVHBQODU-INIZCTEOSA-N 1 0 283.371 3.053 20 10 CGCDRO CC[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1ccc(N(C)CC)cc1 ZINC000840817039 635057394 /nfs/dbraw/zinc/05/73/94/635057394.db2.gz DGLVPCUTHYZDHJ-XKQJLSEDSA-N 1 0 276.424 3.361 20 10 CGCDRO CCc1ccc([C@H](O)C[NH2+]Cc2c(C)cccc2O)cc1 ZINC000877514928 635066208 /nfs/dbraw/zinc/06/62/08/635066208.db2.gz QVWKEZXJYBGVCG-GOSISDBHSA-N 1 0 285.387 3.086 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)[C@](C)(OC)C2CC2)c1 ZINC000840858635 635066373 /nfs/dbraw/zinc/06/63/73/635066373.db2.gz FQHHEQPIJSOFTL-PRXAMGSTSA-N 1 0 293.407 3.255 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000840910493 635080013 /nfs/dbraw/zinc/08/00/13/635080013.db2.gz HUEPUGHPZZNUSR-INIZCTEOSA-N 1 0 298.434 3.164 20 10 CGCDRO Cc1ccc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c(O)c1 ZINC000877542111 635080845 /nfs/dbraw/zinc/08/08/45/635080845.db2.gz VNQMPRNUSODUEE-IRXDYDNUSA-N 1 0 287.403 3.234 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@H+](C)Cc1ccoc1 ZINC000840911657 635081898 /nfs/dbraw/zinc/08/18/98/635081898.db2.gz LRLIGYGNPRHMHB-UHFFFAOYSA-N 1 0 258.365 3.286 20 10 CGCDRO Cc1cc(O)c(C[N@H+](C)CCc2nccs2)c(Cl)c1 ZINC000840919196 635082684 /nfs/dbraw/zinc/08/26/84/635082684.db2.gz XNADGQJBXUQZDC-UHFFFAOYSA-N 1 0 296.823 3.485 20 10 CGCDRO Cc1cccc([C@H](O)C[NH2+]Cc2ccc(N(C)C)cc2C)c1 ZINC000840938523 635086132 /nfs/dbraw/zinc/08/61/32/635086132.db2.gz NRMGHKGVCFBWEL-LJQANCHMSA-N 1 0 298.430 3.193 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CC2(CCOCC2)[C@H]1C1CC1 ZINC000877553477 635086412 /nfs/dbraw/zinc/08/64/12/635086412.db2.gz SYXACJOAFGQHNS-QGZVFWFLSA-N 1 0 287.403 3.092 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H](C)c1nccs1 ZINC000840940373 635087411 /nfs/dbraw/zinc/08/74/11/635087411.db2.gz ZPROPXLSMJYJHS-ZDUSSCGKSA-N 1 0 289.448 3.411 20 10 CGCDRO Cc1ncsc1CC[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840949968 635090800 /nfs/dbraw/zinc/09/08/00/635090800.db2.gz DKNKTJSFRLMGMF-UHFFFAOYSA-N 1 0 296.823 3.451 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000840954029 635092458 /nfs/dbraw/zinc/09/24/58/635092458.db2.gz FPQRNMGGTCYALM-GOSISDBHSA-N 1 0 288.435 3.062 20 10 CGCDRO Oc1cc2c(cc1C[NH2+]C[C@H]1CCC[C@@H]1C1CC1)OCO2 ZINC000840955623 635092986 /nfs/dbraw/zinc/09/29/86/635092986.db2.gz YLHNADJWZVBFON-TZMCWYRMSA-N 1 0 289.375 3.037 20 10 CGCDRO COCC[C@@H](C)C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000840955892 635093378 /nfs/dbraw/zinc/09/33/78/635093378.db2.gz ZWKLGRIIXJERQN-LLYBFZRZSA-N 1 0 276.424 3.028 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]C[C@@H]1CCCC1(F)F ZINC000877566469 635095216 /nfs/dbraw/zinc/09/52/16/635095216.db2.gz YZSOEVMHQSRPAA-NSHDSACASA-N 1 0 255.308 3.226 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)[C@H]1CC1(F)F ZINC000840967866 635096213 /nfs/dbraw/zinc/09/62/13/635096213.db2.gz KMADEDHSNKUMMG-GXSJLCMTSA-N 1 0 272.314 3.025 20 10 CGCDRO CCOc1ccc(C[NH2+]C(C)(C)COC(C)C)c(O)c1 ZINC000840974200 635098193 /nfs/dbraw/zinc/09/81/93/635098193.db2.gz ZTEYRWKUHQPOTE-UHFFFAOYSA-N 1 0 281.396 3.084 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H](C)COC(C)C ZINC000840975681 635098929 /nfs/dbraw/zinc/09/89/29/635098929.db2.gz JTDSMCRSBPHFJX-HOTGVXAUSA-N 1 0 292.467 3.395 20 10 CGCDRO Cc1ccc(C[NH2+][C@H](C)Cc2ccc(N(C)C)cc2C)cn1 ZINC000840978090 635099444 /nfs/dbraw/zinc/09/94/44/635099444.db2.gz ZUNDYONAVAGJEZ-MRXNPFEDSA-N 1 0 297.446 3.485 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CCc2ccc(N)cc2)cc1 ZINC000841034559 635110006 /nfs/dbraw/zinc/11/00/06/635110006.db2.gz COQRAIMBTACEMN-UHFFFAOYSA-N 1 0 297.446 3.447 20 10 CGCDRO Nc1ccc(CC[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)cc1 ZINC000841035189 635111108 /nfs/dbraw/zinc/11/11/08/635111108.db2.gz LDOZEVCLNULEGA-NVXWUHKLSA-N 1 0 258.409 3.370 20 10 CGCDRO Nc1ccc(CC[NH2+][C@H]2CCC[C@H](C3CC3)C2)cc1 ZINC000841035192 635111460 /nfs/dbraw/zinc/11/14/60/635111460.db2.gz LDOZEVCLNULEGA-RDJZCZTQSA-N 1 0 258.409 3.370 20 10 CGCDRO CC(C)[C@@H]1CCC[C@H]1[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000841041779 635112131 /nfs/dbraw/zinc/11/21/31/635112131.db2.gz BVYUQRHLDDKXLN-OKZBNKHCSA-N 1 0 289.467 3.167 20 10 CGCDRO Cc1cccc(C)c1C[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000841044939 635113154 /nfs/dbraw/zinc/11/31/54/635113154.db2.gz GIIOSLZPINKVCP-IBGZPJMESA-N 1 0 297.446 3.159 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000877615242 635113338 /nfs/dbraw/zinc/11/33/38/635113338.db2.gz SKJHXRITVKFCNZ-AWEZNQCLSA-N 1 0 267.319 3.322 20 10 CGCDRO C[C@@H]1CCC[C@H]([NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)[C@H]1C ZINC000841046106 635114152 /nfs/dbraw/zinc/11/41/52/635114152.db2.gz WFKGQDSJGFPCSG-NONVJHHQSA-N 1 0 289.467 3.167 20 10 CGCDRO CCCC(CCC)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000841045785 635114718 /nfs/dbraw/zinc/11/47/18/635114718.db2.gz PXYIFCFMVAYXNB-KRWDZBQOSA-N 1 0 277.456 3.311 20 10 CGCDRO CN(C)c1ccc([C@@H](N)C[NH2+][C@H]2CCCCC2(C)C)cc1 ZINC000841046084 635114843 /nfs/dbraw/zinc/11/48/43/635114843.db2.gz VTGQHGTUECNTEX-IRXDYDNUSA-N 1 0 289.467 3.311 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc3ccccc3c2O)[C@@H](C)O1 ZINC000877683122 635143887 /nfs/dbraw/zinc/14/38/87/635143887.db2.gz SSZIINAAFJMNSC-HSMVNMDESA-N 1 0 271.360 3.201 20 10 CGCDRO Cc1ncc([C@@H](C)[NH2+]Cc2cccc(C)c2O)s1 ZINC000877685405 635146687 /nfs/dbraw/zinc/14/66/87/635146687.db2.gz XRXSNEZMSYUWPP-SNVBAGLBSA-N 1 0 262.378 3.316 20 10 CGCDRO C[C@H](CSCCF)[NH2+][C@@H](C)c1ccccc1O ZINC000877758408 635187346 /nfs/dbraw/zinc/18/73/46/635187346.db2.gz YXSDQZCKVBYJPB-MNOVXSKESA-N 1 0 257.374 3.134 20 10 CGCDRO Cc1ccc(C[NH2+]C2([C@@H]3CCCCO3)CCC2)c(O)c1 ZINC000877771270 635198691 /nfs/dbraw/zinc/19/86/91/635198691.db2.gz MLYOPUOOMDDHDL-INIZCTEOSA-N 1 0 275.392 3.282 20 10 CGCDRO CC(C)(O)[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000877796305 635206467 /nfs/dbraw/zinc/20/64/67/635206467.db2.gz CHQJDUPSMGQVPY-LBPRGKRZSA-N 1 0 283.799 3.029 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@@H]2C[C@@H]3CCC[C@@H]3O2)c1O ZINC000877805239 635208187 /nfs/dbraw/zinc/20/81/87/635208187.db2.gz JFZJPHGLGFNAGT-BPUTZDHNSA-N 1 0 275.392 3.002 20 10 CGCDRO Cc1ccc(C[NH2+]CC2(OC(C)C)CCC2)c(O)c1 ZINC000877806337 635209510 /nfs/dbraw/zinc/20/95/10/635209510.db2.gz FJJGFETXRWIZLK-UHFFFAOYSA-N 1 0 263.381 3.138 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000877811942 635215549 /nfs/dbraw/zinc/21/55/49/635215549.db2.gz CSFULWRWIMXERW-CYBMUJFWSA-N 1 0 289.297 3.175 20 10 CGCDRO Cc1csc([C@@H]2CC[N@H+](Cc3cc(F)ccc3O)C2)n1 ZINC000877814129 635220085 /nfs/dbraw/zinc/22/00/85/635220085.db2.gz UEZKPVCYOOCRET-LLVKDONJSA-N 1 0 292.379 3.286 20 10 CGCDRO Cc1csc([C@H]2CC[N@H+](Cc3c(C)cccc3O)C2)n1 ZINC000877813915 635220497 /nfs/dbraw/zinc/22/04/97/635220497.db2.gz LSDGKLOMABKRRI-ZDUSSCGKSA-N 1 0 288.416 3.455 20 10 CGCDRO CC(C)C[C@@H](CO)[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841744201 635222388 /nfs/dbraw/zinc/22/23/88/635222388.db2.gz FTWNQOVUVUUERE-PWSUYJOCSA-N 1 0 271.788 3.103 20 10 CGCDRO C[C@H]([NH2+][C@@H](CO)CC(F)(F)F)c1ccc(Cl)cc1O ZINC000841747347 635223847 /nfs/dbraw/zinc/22/38/47/635223847.db2.gz AOFFAZSKUPPPEE-IONNQARKSA-N 1 0 297.704 3.010 20 10 CGCDRO COC[C@H]([NH2+][C@H](C)c1ccc(Cl)cc1O)C1CC1 ZINC000841750789 635225115 /nfs/dbraw/zinc/22/51/15/635225115.db2.gz JCYHVFXIQMBVAZ-RNCFNFMXSA-N 1 0 269.772 3.121 20 10 CGCDRO CCO[C@H]1C[C@@H]([NH2+][C@H](C)c2ccc(Cl)cc2O)C1 ZINC000841753275 635226782 /nfs/dbraw/zinc/22/67/82/635226782.db2.gz GBDOVAREPDNBEU-JLLWLGSASA-N 1 0 269.772 3.264 20 10 CGCDRO CO[C@H](C[NH2+][C@H](C)c1ccc(Cl)cc1O)C(C)C ZINC000841754170 635228622 /nfs/dbraw/zinc/22/86/22/635228622.db2.gz IELRJGGLJOSGGH-QMTHXVAHSA-N 1 0 271.788 3.367 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1cnn(C)c1)c1ccc(Cl)cc1O ZINC000841754620 635228752 /nfs/dbraw/zinc/22/87/52/635228752.db2.gz LAWNJDWKIGLDLR-VHSXEESVSA-N 1 0 279.771 3.191 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H](C)c2nccnc2C)cc1Cl ZINC000877829089 635231380 /nfs/dbraw/zinc/23/13/80/635231380.db2.gz VOQSIDLEAMJQNU-NSHDSACASA-N 1 0 291.782 3.303 20 10 CGCDRO C[C@H]([NH2+]CC1=CCCOC1)c1ccc(Cl)cc1O ZINC000841758048 635231607 /nfs/dbraw/zinc/23/16/07/635231607.db2.gz RLFNOLFEDVYKRF-JTQLQIEISA-N 1 0 267.756 3.043 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C)c1ccc(Cl)cc1O ZINC000841757332 635231942 /nfs/dbraw/zinc/23/19/42/635231942.db2.gz DOHISQNORKATFG-PWSUYJOCSA-N 1 0 285.815 3.493 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2COCc3ccccc32)c1 ZINC000841760422 635233544 /nfs/dbraw/zinc/23/35/44/635233544.db2.gz KIPZIWHVBZPDDF-SJCJKPOMSA-N 1 0 299.370 3.323 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H]2COCc3ccccc32)c1O ZINC000841891673 635248699 /nfs/dbraw/zinc/24/86/99/635248699.db2.gz SKFWGIAMYCSJHL-MRXNPFEDSA-N 1 0 299.370 3.152 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCSC[C@H]2C2CCC2)c1O ZINC000841893485 635249084 /nfs/dbraw/zinc/24/90/84/635249084.db2.gz KSVFMPKEMMIMMY-HNNXBMFYSA-N 1 0 277.433 3.418 20 10 CGCDRO OC[C@H](CC1CCCCC1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000841894561 635250739 /nfs/dbraw/zinc/25/07/39/635250739.db2.gz YTSVJINGFYWOSN-KRWDZBQOSA-N 1 0 289.419 3.042 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)Cc2cc[nH]c(=O)c2)cc1 ZINC000877922976 635272211 /nfs/dbraw/zinc/27/22/11/635272211.db2.gz YKQHSRSJLXOWJY-UHFFFAOYSA-N 1 0 299.418 3.265 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CC2([C@@H](O)C(C)C)CC2)c(Cl)c1 ZINC000842208534 635310963 /nfs/dbraw/zinc/31/09/63/635310963.db2.gz WPKWPRZJGMEMJF-HNNXBMFYSA-N 1 0 297.826 3.241 20 10 CGCDRO CCCCC[N@H+](CCO)Cc1cc(Cl)ccc1O ZINC000126879186 635334636 /nfs/dbraw/zinc/33/46/36/635334636.db2.gz UMCASVRMLAJIQH-UHFFFAOYSA-N 1 0 271.788 3.030 20 10 CGCDRO COc1ccc(N(CC[C@H]2CC[NH2+]C2)[C@@H](C)C2CC2)cc1 ZINC000842472134 635378727 /nfs/dbraw/zinc/37/87/27/635378727.db2.gz RXSKICFMTAUQER-LSDHHAIUSA-N 1 0 288.435 3.300 20 10 CGCDRO CC[C@H](C)C[C@H](CO)[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000842919980 635511870 /nfs/dbraw/zinc/51/18/70/635511870.db2.gz XHHOMAGFLSRRIL-FMCLSXCISA-N 1 0 295.398 3.466 20 10 CGCDRO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2cc(C)ccc2O)[C@@H]1SC ZINC000842922711 635511975 /nfs/dbraw/zinc/51/19/75/635511975.db2.gz CGRLIMJCWBJPKV-CUBALJKWSA-N 1 0 295.448 3.260 20 10 CGCDRO [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000843045231 635549268 /nfs/dbraw/zinc/54/92/68/635549268.db2.gz QEMNIFQEERHYQP-SWLSCSKDSA-N 1 0 294.826 3.010 20 10 CGCDRO Cc1cc(Cl)cc(CN2CCCC[C@@H]2[C@@H](C)[NH3+])c1O ZINC000843046468 635549315 /nfs/dbraw/zinc/54/93/15/635549315.db2.gz WTJBBYZBYUKXLZ-BXUZGUMPSA-N 1 0 282.815 3.056 20 10 CGCDRO CC[C@@H](C)C[C@@H](CO)[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000843426836 635670985 /nfs/dbraw/zinc/67/09/85/635670985.db2.gz BQBMLDCAZMIGEM-YGRLFVJLSA-N 1 0 285.815 3.241 20 10 CGCDRO COc1cccc(OCC[NH2+][C@H](C)c2ccccc2O)c1 ZINC000879649624 635826339 /nfs/dbraw/zinc/82/63/39/635826339.db2.gz ZMJVDRDTEQUHRF-CYBMUJFWSA-N 1 0 287.359 3.130 20 10 CGCDRO COC(=O)c1cc(C[NH2+][C@H](C)c2ccccc2O)ccc1C ZINC000879650188 635826474 /nfs/dbraw/zinc/82/64/74/635826474.db2.gz NLOCUEGSXIFOBA-CYBMUJFWSA-N 1 0 299.370 3.338 20 10 CGCDRO Cc1ccc(NC(=O)C[NH2+][C@H](C)c2ccccc2O)cc1C ZINC000879648658 635826886 /nfs/dbraw/zinc/82/68/86/635826886.db2.gz XXMDSJWZDGPZMG-CQSZACIVSA-N 1 0 298.386 3.298 20 10 CGCDRO C[C@@H]([NH2+]CCCCCn1cccn1)c1ccccc1O ZINC000879648648 635827128 /nfs/dbraw/zinc/82/71/28/635827128.db2.gz XMKLEANBWYOJLO-CQSZACIVSA-N 1 0 273.380 3.110 20 10 CGCDRO C[C@@H]([NH2+]C[C@H](O)c1ccc(F)c(F)c1)c1ccccc1O ZINC000879649302 635827157 /nfs/dbraw/zinc/82/71/57/635827157.db2.gz QCIAQZWUTJBJJD-HWPZZCPQSA-N 1 0 293.313 3.055 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+][C@H]1CNc3ccccc3C1)CC2 ZINC000844919101 635983643 /nfs/dbraw/zinc/98/36/43/635983643.db2.gz CKHKSZUJCSGTDQ-GDBMZVCRSA-N 1 0 280.371 3.006 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cncn2C(C)C)c1 ZINC000845971121 636125397 /nfs/dbraw/zinc/12/53/97/636125397.db2.gz HFTDFLBTKBWQPC-LBPRGKRZSA-N 1 0 289.379 3.029 20 10 CGCDRO CC(C)n1nccc1C[NH2+]Cc1cc(Cl)ccc1O ZINC000846056349 636139825 /nfs/dbraw/zinc/13/98/25/636139825.db2.gz VWZPMVXYXQWYMN-UHFFFAOYSA-N 1 0 279.771 3.113 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2C[C@@H](C)OCC23CCC3)cc1C ZINC000846067874 636141482 /nfs/dbraw/zinc/14/14/82/636141482.db2.gz ZPFXGKZFVOWEOX-CQSZACIVSA-N 1 0 275.392 3.152 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@H]2COc3ccccc3C2)c1O ZINC000846141639 636148721 /nfs/dbraw/zinc/14/87/21/636148721.db2.gz LJHGHOBCZIALKS-GXTWGEPZSA-N 1 0 299.370 3.055 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]CCN(C(C)C)C(C)C)c1O ZINC000846138156 636148900 /nfs/dbraw/zinc/14/89/00/636148900.db2.gz UAKUZEGXOIYPIC-AWEZNQCLSA-N 1 0 294.439 3.170 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]Cc2ccccc2)c1O ZINC000846135604 636148984 /nfs/dbraw/zinc/14/89/84/636148984.db2.gz DSXCPBJWJDNYHG-LBPRGKRZSA-N 1 0 257.333 3.252 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]CCSC(F)(F)F)c1O ZINC000846144744 636149447 /nfs/dbraw/zinc/14/94/47/636149447.db2.gz NARXHJKXDFGZIE-QMMMGPOBSA-N 1 0 295.326 3.304 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H](C)C(C)C)c1O ZINC000846142716 636149494 /nfs/dbraw/zinc/14/94/94/636149494.db2.gz CCELGESRAGGURE-NEPJUHHUSA-N 1 0 251.370 3.344 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]CCCCSC)c1O ZINC000846147523 636149669 /nfs/dbraw/zinc/14/96/69/636149669.db2.gz VYFURGIWBJYVOO-NSHDSACASA-N 1 0 269.410 3.195 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)CCSC)c1O ZINC000846145863 636149742 /nfs/dbraw/zinc/14/97/42/636149742.db2.gz PKWMZCATWJGZIX-QWRGUYRKSA-N 1 0 269.410 3.193 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]Cc2csc(C)n2)c1O ZINC000846145682 636149826 /nfs/dbraw/zinc/14/98/26/636149826.db2.gz PRNZTBQXBYVHLD-VIFPVBQESA-N 1 0 278.377 3.017 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCOC3(CCC3)C2)c1O ZINC000846155599 636150316 /nfs/dbraw/zinc/15/03/16/636150316.db2.gz HWPRWNHALHNPMB-QWHCGFSZSA-N 1 0 291.391 3.153 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]CCSCC(C)C)c1O ZINC000846155753 636150437 /nfs/dbraw/zinc/15/04/37/636150437.db2.gz CLBISQFRLIXPJX-GFCCVEGCSA-N 1 0 283.437 3.441 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2COc3ccc(C)cc32)c1O ZINC000846153083 636150623 /nfs/dbraw/zinc/15/06/23/636150623.db2.gz FPBYARRRCYRUMU-IUODEOHRSA-N 1 0 299.370 3.494 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@H]2C[C@@H](OC(C)C)C2)c1O ZINC000846167875 636151871 /nfs/dbraw/zinc/15/18/71/636151871.db2.gz FVUCFKWWIRSBIK-RWMBFGLXSA-N 1 0 279.380 3.007 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@H]2CCCC2(F)F)c1O ZINC000846168145 636151910 /nfs/dbraw/zinc/15/19/10/636151910.db2.gz HCWOEIRGNUUMSX-WDEREUQCSA-N 1 0 285.334 3.487 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@H]2CC[C@H](C)C2)c1O ZINC000846166862 636151948 /nfs/dbraw/zinc/15/19/48/636151948.db2.gz DRZJWGCMLMPMDD-AVGNSLFASA-N 1 0 263.381 3.488 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H]2CCCSC2)c1O ZINC000846170997 636152900 /nfs/dbraw/zinc/15/29/00/636152900.db2.gz NZJMAWUEOBIBBW-NEPJUHHUSA-N 1 0 281.421 3.195 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C1CC1)C1CCOCC1)c1ccccc1O ZINC000846188486 636156230 /nfs/dbraw/zinc/15/62/30/636156230.db2.gz POUTXDQLGKTILX-PXAZEXFGSA-N 1 0 275.392 3.248 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)c1ccc(Cl)cc1O ZINC000846190558 636156798 /nfs/dbraw/zinc/15/67/98/636156798.db2.gz REUSAFYTNQJSSM-FUPATZSFSA-N 1 0 267.756 3.016 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+][C@H](C1CC1)[C@H]1CCCCO1 ZINC000848560697 636606384 /nfs/dbraw/zinc/60/63/84/636606384.db2.gz QCYGMMHBOZUHQD-HZPDHXFCSA-N 1 0 295.810 3.483 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+]C2(C)CC=CC2)cc1 ZINC000848560458 636606421 /nfs/dbraw/zinc/60/64/21/636606421.db2.gz FZCOHZLKTIXGKJ-VOTSOKGWSA-N 1 0 256.393 3.464 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H](C)C(=O)OC(C)(C)C)c1ccccc1O ZINC000848563157 636607638 /nfs/dbraw/zinc/60/76/38/636607638.db2.gz QAPJSAWFUCCZNN-TZMCWYRMSA-N 1 0 293.407 3.411 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H](C)C(=O)OC(C)(C)C)c1ccccc1O ZINC000848563154 636607802 /nfs/dbraw/zinc/60/78/02/636607802.db2.gz QAPJSAWFUCCZNN-GXTWGEPZSA-N 1 0 293.407 3.411 20 10 CGCDRO CC(C)(C)O[C@H]1C[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000848566465 636609549 /nfs/dbraw/zinc/60/95/49/636609549.db2.gz YLUIKMLITPSZIF-MGPQQGTHSA-N 1 0 275.392 3.315 20 10 CGCDRO C[C@H](C[NH2+]Cc1c(O)cccc1Cl)C(=O)OC(C)(C)C ZINC000848566355 636609694 /nfs/dbraw/zinc/60/96/94/636609694.db2.gz VVQMCOIIMPDGRP-SNVBAGLBSA-N 1 0 299.798 3.113 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCCN2CCCC[C@H]12)c1cc(F)ccc1O ZINC000848568210 636610802 /nfs/dbraw/zinc/61/08/02/636610802.db2.gz BMLXIJRBMHNATB-APHBMKBZSA-N 1 0 292.398 3.199 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(C)c1)[C@H]1CCCCO1 ZINC000848575168 636613053 /nfs/dbraw/zinc/61/30/53/636613053.db2.gz LJROCVXZVBWZCF-NVXWUHKLSA-N 1 0 277.408 3.441 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CCC3(CCCC3)O2)cc1 ZINC000848576009 636614978 /nfs/dbraw/zinc/61/49/78/636614978.db2.gz FJSQTMNXAGHZEX-QGZVFWFLSA-N 1 0 288.435 3.334 20 10 CGCDRO CC(C)(C[NH2+]Cc1ccc2c(c1)CCO2)CC(F)F ZINC000883252020 636622702 /nfs/dbraw/zinc/62/27/02/636622702.db2.gz NVQQMYZQESBLES-UHFFFAOYSA-N 1 0 269.335 3.393 20 10 CGCDRO CCCOc1ccc(C[NH2+]C[C@H]2C[C@H](OC)C2)cc1C ZINC000883261827 636632226 /nfs/dbraw/zinc/63/22/26/636632226.db2.gz NWUJAWMSXZGJPW-WKILWMFISA-N 1 0 277.408 3.298 20 10 CGCDRO CO[C@H]1C[C@H](C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)C1 ZINC000883272387 636642678 /nfs/dbraw/zinc/64/26/78/636642678.db2.gz LBWUNOIOJKGIKH-ZPFDUUQYSA-N 1 0 279.355 3.094 20 10 CGCDRO CO[C@H]1C[C@H](C[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)C1 ZINC000883272099 636643022 /nfs/dbraw/zinc/64/30/22/636643022.db2.gz DCWMAWOAMWZUNG-XJKCOSOUSA-N 1 0 289.419 3.347 20 10 CGCDRO CCc1cccc(C[N@H+](C)Cc2cnc(C)s2)c1O ZINC000848882374 636671734 /nfs/dbraw/zinc/67/17/34/636671734.db2.gz NQPRIVSZPQPOAM-UHFFFAOYSA-N 1 0 276.405 3.352 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCc3ccc(O)cc3C2)c1O ZINC000848882175 636672494 /nfs/dbraw/zinc/67/24/94/636672494.db2.gz MKDRILPBBCBYGR-UHFFFAOYSA-N 1 0 283.371 3.219 20 10 CGCDRO CCc1cccc(C[NH2+][C@H](C)Cc2cccc(O)c2)c1O ZINC000848896170 636679687 /nfs/dbraw/zinc/67/96/87/636679687.db2.gz UKYOLJABJUEVFJ-CYBMUJFWSA-N 1 0 285.387 3.381 20 10 CGCDRO CCc1cccc(C[NH2+][C@H](CO)c2sccc2C)c1O ZINC000848897246 636679713 /nfs/dbraw/zinc/67/97/13/636679713.db2.gz GZYNAOAXHINZRD-CQSZACIVSA-N 1 0 291.416 3.148 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H](C)Cc2cccc(O)c2)c1O ZINC000848896171 636680108 /nfs/dbraw/zinc/68/01/08/636680108.db2.gz UKYOLJABJUEVFJ-ZDUSSCGKSA-N 1 0 285.387 3.381 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@H]2CCCO[C@@H]2C(C)C)c1O ZINC000848898518 636680865 /nfs/dbraw/zinc/68/08/65/636680865.db2.gz VWAFAZGFTGRTDL-SJLPKXTDSA-N 1 0 291.435 3.495 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H](CC)[C@@H]2CCCO2)c1O ZINC000848901130 636681482 /nfs/dbraw/zinc/68/14/82/636681482.db2.gz UKISTVAMHOSQAA-GJZGRUSLSA-N 1 0 263.381 3.002 20 10 CGCDRO CCc1cccc(C[NH2+]CCCc2cccc(C)n2)c1O ZINC000848910562 636686620 /nfs/dbraw/zinc/68/66/20/636686620.db2.gz MJMIPNAZRXUCBE-UHFFFAOYSA-N 1 0 284.403 3.380 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCC3(CCC3)O2)cc1C ZINC000883363326 636705558 /nfs/dbraw/zinc/70/55/58/636705558.db2.gz AIWAKFUBRDDLHM-OAHLLOKOSA-N 1 0 275.392 3.200 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC[C@]23CCCO3)c1 ZINC000883365585 636706629 /nfs/dbraw/zinc/70/66/29/636706629.db2.gz DANUDTOKDQSSQO-VUCTXSBTSA-N 1 0 291.391 3.153 20 10 CGCDRO C[C@@H]([NH2+]CCCSc1nccs1)C1CCOCC1 ZINC000132320663 636801208 /nfs/dbraw/zinc/80/12/08/636801208.db2.gz SOEZXPLNHWJQPS-LLVKDONJSA-N 1 0 286.466 3.030 20 10 CGCDRO CCCOc1cccc(C[NH2+]Cc2ccccc2O)c1 ZINC000134228987 637007592 /nfs/dbraw/zinc/00/75/92/637007592.db2.gz WAOABOGBAGOHHI-UHFFFAOYSA-N 1 0 271.360 3.471 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+]C3CCCCC3)C2)cc1 ZINC000850345588 637021682 /nfs/dbraw/zinc/02/16/82/637021682.db2.gz FQLSUFOQXPXGQW-HNNXBMFYSA-N 1 0 274.408 3.196 20 10 CGCDRO COc1ccc(N2CC[C@@H]([NH2+]C[C@H]3CC=CCC3)C2)cc1 ZINC000850346637 637022661 /nfs/dbraw/zinc/02/26/61/637022661.db2.gz VKUKRVCKNGPHBE-JKSUJKDBSA-N 1 0 286.419 3.220 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+][C@H]1C[C@H](O)c2ccccc21 ZINC000850369819 637032475 /nfs/dbraw/zinc/03/24/75/637032475.db2.gz BLLNEYLRGQLRJO-HOCLYGCPSA-N 1 0 289.762 3.314 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CCCOC(C)(C)C)cc1F ZINC000850371516 637034497 /nfs/dbraw/zinc/03/44/97/637034497.db2.gz XWACUOGRQACVGQ-UHFFFAOYSA-N 1 0 282.403 3.187 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+]CCc2ccoc2)cc1 ZINC000850376344 637038384 /nfs/dbraw/zinc/03/83/84/637038384.db2.gz HAHOEYZLJUIENY-ARJAWSKDSA-N 1 0 270.376 3.191 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2CCc3ccc(O)cc32)cc1C ZINC000850387475 637042701 /nfs/dbraw/zinc/04/27/01/637042701.db2.gz SALYHVKYKLLQKG-KRWDZBQOSA-N 1 0 283.371 3.486 20 10 CGCDRO CSCC[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000134907691 637049757 /nfs/dbraw/zinc/04/97/57/637049757.db2.gz AOPLELIJBVAWRB-MRVPVSSYSA-N 1 0 290.226 3.168 20 10 CGCDRO CCC(CC)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850404827 637050732 /nfs/dbraw/zinc/05/07/32/637050732.db2.gz DZDUUXCOHJTUKR-UHFFFAOYSA-N 1 0 290.451 3.174 20 10 CGCDRO COc1ccc(C[NH2+]CC2(O)CCC(F)(F)CC2)cc1C ZINC000850404229 637050879 /nfs/dbraw/zinc/05/08/79/637050879.db2.gz BIEDJMKXXSXKHX-UHFFFAOYSA-N 1 0 299.361 3.034 20 10 CGCDRO CCC[C@H](C)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850405738 637051102 /nfs/dbraw/zinc/05/11/02/637051102.db2.gz BNDORNKFYKVHHS-HNNXBMFYSA-N 1 0 290.451 3.174 20 10 CGCDRO COc1ccc(C[NH2+]C[C@H](OC)C2CCCCC2)c(O)c1 ZINC000850407800 637051758 /nfs/dbraw/zinc/05/17/58/637051758.db2.gz OTLMKRIDRRFTRW-KRWDZBQOSA-N 1 0 293.407 3.086 20 10 CGCDRO CCCN(C)CC(C)(C)[NH2+]Cc1cc(C)c(C)cc1O ZINC000850409575 637053127 /nfs/dbraw/zinc/05/31/27/637053127.db2.gz BOILCMUGNHDXEI-UHFFFAOYSA-N 1 0 278.440 3.219 20 10 CGCDRO C[C@H](CSCCF)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000850431264 637058683 /nfs/dbraw/zinc/05/86/83/637058683.db2.gz VIQAQGZPPVBQRB-LLVKDONJSA-N 1 0 288.407 3.073 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCCn2nccc21)c1ccc(N(C)C)cc1 ZINC000850463541 637076430 /nfs/dbraw/zinc/07/64/30/637076430.db2.gz VNZXHGVIYILKMZ-XJKSGUPXSA-N 1 0 284.407 3.135 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1COC(C)(C)C1)c1ccc(C)cc1O ZINC000850483227 637086496 /nfs/dbraw/zinc/08/64/96/637086496.db2.gz VHTCSCBUABJBEL-GXTWGEPZSA-N 1 0 263.381 3.309 20 10 CGCDRO CC[C@@H]([NH2+][C@H](CO)C1CCC1)c1cc(Cl)ccc1O ZINC000850487323 637088217 /nfs/dbraw/zinc/08/82/17/637088217.db2.gz HNEYJWJCDZYYLG-ZIAGYGMSSA-N 1 0 283.799 3.247 20 10 CGCDRO CC[C@@H]([NH2+]CCc1cnccc1C)c1ccccc1O ZINC000850505319 637094248 /nfs/dbraw/zinc/09/42/48/637094248.db2.gz ARZJUISROBPNDC-MRXNPFEDSA-N 1 0 270.376 3.379 20 10 CGCDRO CC[C@H]([NH2+]CCO[C@H]1CC1(F)F)c1ccc(N(C)C)cc1 ZINC000850519444 637100410 /nfs/dbraw/zinc/10/04/10/637100410.db2.gz LTWIGAMSXWGTLC-GJZGRUSLSA-N 1 0 298.377 3.218 20 10 CGCDRO C[C@H]([NH2+][C@@H]1COC2(CCC2)C1)c1cc(Cl)ccc1O ZINC000850526825 637105394 /nfs/dbraw/zinc/10/53/94/637105394.db2.gz XEDFNEQUBXHOOG-JQWIXIFHSA-N 1 0 281.783 3.408 20 10 CGCDRO CC[C@@H](O)C[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000850528116 637106518 /nfs/dbraw/zinc/10/65/18/637106518.db2.gz FPAOKKMEIWQKHP-SJLPKXTDSA-N 1 0 299.414 3.427 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2nccn2C)c(O)c1C ZINC000850571803 637128574 /nfs/dbraw/zinc/12/85/74/637128574.db2.gz AZXNAMDIIRGEIP-STQMWFEESA-N 1 0 273.380 3.154 20 10 CGCDRO Oc1ccccc1C[N@H+](CCCF)Cc1ccco1 ZINC000137265514 637438860 /nfs/dbraw/zinc/43/88/60/637438860.db2.gz LLPYUPRMYJSXRR-UHFFFAOYSA-N 1 0 263.312 3.347 20 10 CGCDRO CN(C)c1ccc(C[N@H+](Cc2cccc(F)n2)C2CC2)cc1 ZINC000851732612 637482352 /nfs/dbraw/zinc/48/23/52/637482352.db2.gz VEFIGBKQJBFZTH-UHFFFAOYSA-N 1 0 299.393 3.451 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]C[C@@H]1CC2(CCC2)CO1 ZINC000886289433 637487117 /nfs/dbraw/zinc/48/71/17/637487117.db2.gz VMOHPROOVGPBCT-ZDUSSCGKSA-N 1 0 281.783 3.094 20 10 CGCDRO Oc1ccccc1C[N@H+](CCOC(F)F)Cc1ccco1 ZINC000851840174 637518566 /nfs/dbraw/zinc/51/85/66/637518566.db2.gz BBTNVKGBOKSPBM-UHFFFAOYSA-N 1 0 297.301 3.227 20 10 CGCDRO CCOc1cccc(C[NH2+]C2(COC)CCCCC2)c1O ZINC000853090702 637753704 /nfs/dbraw/zinc/75/37/04/637753704.db2.gz BSDCYDCAAIJAAC-UHFFFAOYSA-N 1 0 293.407 3.230 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCc2cc(N)ccc21)c1ccccc1O ZINC000854225355 638027938 /nfs/dbraw/zinc/02/79/38/638027938.db2.gz DJECUFWNAXSQOW-BDJLRTHQSA-N 1 0 268.360 3.313 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cccc(OC)n1 ZINC000924901619 638422406 /nfs/dbraw/zinc/42/24/06/638422406.db2.gz SHCVKCHRQDPJMC-HNNXBMFYSA-N 1 0 298.386 3.266 20 10 CGCDRO CN(C)c1cc(F)c(C[NH2+]Cc2cccs2)cc1F ZINC000858086975 638623533 /nfs/dbraw/zinc/62/35/33/638623533.db2.gz HMCJKEGWMLSYTQ-UHFFFAOYSA-N 1 0 282.359 3.382 20 10 CGCDRO CO[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858184977 638651772 /nfs/dbraw/zinc/65/17/72/638651772.db2.gz ZCYGLVDUOALWNG-GDBMZVCRSA-N 1 0 298.377 3.078 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+]CC[C@@H]2CCCOC2)cc1 ZINC000858206249 638657196 /nfs/dbraw/zinc/65/71/96/638657196.db2.gz IVFXRXBRQZIMSF-RCFWFJCLSA-N 1 0 288.435 3.172 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]C[C@H]2CCCC23CC3)c1 ZINC000858333071 638684352 /nfs/dbraw/zinc/68/43/52/638684352.db2.gz UZJDAJCPUALMOH-CQSZACIVSA-N 1 0 275.392 3.461 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCCN2CC(F)F)c1 ZINC000858479457 638734869 /nfs/dbraw/zinc/73/48/69/638734869.db2.gz SGVOIYFAEDUAOY-STQMWFEESA-N 1 0 298.377 3.081 20 10 CGCDRO CC(C)CC[C@H](CO)[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000858484838 638736183 /nfs/dbraw/zinc/73/61/83/638736183.db2.gz CPJKWDXRXHISHQ-DGCLKSJQSA-N 1 0 285.815 3.493 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H](CO)CCC(C)C)c(O)c1C ZINC000858484936 638736422 /nfs/dbraw/zinc/73/64/22/638736422.db2.gz GJPSXQOJEVIYHW-CABCVRRESA-N 1 0 279.424 3.457 20 10 CGCDRO CC(C)CC[C@H](CO)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000858486578 638737674 /nfs/dbraw/zinc/73/76/74/638737674.db2.gz WEHVBACJZQWUBE-GDBMZVCRSA-N 1 0 278.440 3.200 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc(Cl)cc1[O-] ZINC000858491660 638742337 /nfs/dbraw/zinc/74/23/37/638742337.db2.gz MTIKUDJLTKDUFD-OLZOCXBDSA-N 1 0 296.842 3.428 20 10 CGCDRO C[C@H]([NH2+][C@H]1CO[C@@H](C2CC2)C1)c1cc(Cl)ccc1O ZINC000858547736 638759535 /nfs/dbraw/zinc/75/95/35/638759535.db2.gz OAZWZLSJYTXLTN-TURKWSHLSA-N 1 0 281.783 3.264 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@H]1CCCC3(CCC3)O1)CC2 ZINC000927009342 638830864 /nfs/dbraw/zinc/83/08/64/638830864.db2.gz BZRKBYXHUYEUSI-CABCVRRESA-N 1 0 287.403 3.461 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1C[C@H]2OC(C)(C)O[C@H]2C1)c1ccccc1O ZINC000927060218 638836168 /nfs/dbraw/zinc/83/61/68/638836168.db2.gz LBZHAMZPSXBGIM-CUBALJKWSA-N 1 0 291.391 3.115 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](c2cnn(C)c2)C(C)C)c1 ZINC000927068527 638837529 /nfs/dbraw/zinc/83/75/29/638837529.db2.gz JWUVATDBOZCFEX-DYVFJYSZSA-N 1 0 287.407 3.482 20 10 CGCDRO COC[C@H](C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-])C(C)C ZINC000927097308 638841572 /nfs/dbraw/zinc/84/15/72/638841572.db2.gz UFBMXAYOTWFFKS-MNOVXSKESA-N 1 0 287.350 3.240 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2cc(C3CC3)nn2C)c(O)c1 ZINC000927102053 638842243 /nfs/dbraw/zinc/84/22/43/638842243.db2.gz OWZMEZABMUOOQP-CYBMUJFWSA-N 1 0 299.418 3.471 20 10 CGCDRO CCc1onc(C)c1C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000927141234 638847067 /nfs/dbraw/zinc/84/70/67/638847067.db2.gz VYSZMHMCUWOYGL-SNVBAGLBSA-N 1 0 290.363 3.110 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)cc1 ZINC000859545933 639160404 /nfs/dbraw/zinc/16/04/04/639160404.db2.gz ZMEWVVXMANPJJH-CVEARBPZSA-N 1 0 276.449 3.223 20 10 CGCDRO COc1ccc2c(c1)C[C@H](C[NH2+][C@@H](C)c1ccccc1O)O2 ZINC000931554900 639170292 /nfs/dbraw/zinc/17/02/92/639170292.db2.gz SXRXLBWTZPYUKH-SWLSCSKDSA-N 1 0 299.370 3.055 20 10 CGCDRO COc1ccc(N2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC000041464949 639903605 /nfs/dbraw/zinc/90/36/05/639903605.db2.gz JGXOEULNQNJURV-UHFFFAOYSA-N 1 0 288.435 3.398 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]Cc2cc3c(cc2O)OCO3)s1 ZINC000042880480 639922019 /nfs/dbraw/zinc/92/20/19/639922019.db2.gz REUMPAPVMLTWSM-JTQLQIEISA-N 1 0 291.372 3.342 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]CCOc1ccccc1 ZINC000042895468 639922745 /nfs/dbraw/zinc/92/27/45/639922745.db2.gz FHBQVBXNVHOFCD-UHFFFAOYSA-N 1 0 277.751 3.214 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](C)CC(F)(F)F)cc1C ZINC000155416925 639933613 /nfs/dbraw/zinc/93/36/13/639933613.db2.gz NOXURRASZFOQCH-JTQLQIEISA-N 1 0 261.287 3.434 20 10 CGCDRO CCO[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000155473596 639936684 /nfs/dbraw/zinc/93/66/84/639936684.db2.gz NLJBPHOPPRQDNI-CYBMUJFWSA-N 1 0 269.772 3.047 20 10 CGCDRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2cc(C)c(C)cc2O)cc1 ZINC000188982761 640161399 /nfs/dbraw/zinc/16/13/99/640161399.db2.gz IUHVFFLETTVFMG-SFHVURJKSA-N 1 0 299.414 3.011 20 10 CGCDRO CO[C@H]1C[N@H+](Cc2c(O)ccc3ccccc32)CC[C@H]1C ZINC000190195979 640232574 /nfs/dbraw/zinc/23/25/74/640232574.db2.gz OUNYXWFBDMXBGU-ACJLOTCBSA-N 1 0 285.387 3.402 20 10 CGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@@H](C)CCn1cccn1 ZINC000194979166 640560928 /nfs/dbraw/zinc/56/09/28/640560928.db2.gz WULWYANFYOFIAP-HNNXBMFYSA-N 1 0 286.423 3.037 20 10 CGCDRO C[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)[C@H]1C ZINC000245570103 640627429 /nfs/dbraw/zinc/62/74/29/640627429.db2.gz WSJNCBGLFGYHOY-HOTGVXAUSA-N 1 0 288.435 3.144 20 10 CGCDRO C[C@H]([NH2+]C[C@]1(C)CCCC[C@H]1O)c1ccc(N(C)C)cc1 ZINC000247262621 640714447 /nfs/dbraw/zinc/71/44/47/640714447.db2.gz ZHDGOBKVNWXJCU-QGTPRVQTSA-N 1 0 290.451 3.344 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H]2CCC[C@@H](O)C2)cc1 ZINC000247960478 640737707 /nfs/dbraw/zinc/73/77/07/640737707.db2.gz GDJFQCCVWKJWBL-HDMKZQKVSA-N 1 0 290.451 3.344 20 10 CGCDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2cccc(OC)c2O)C1(C)C ZINC000093605312 640776854 /nfs/dbraw/zinc/77/68/54/640776854.db2.gz WKSMNGWKOIUBRE-GJZGRUSLSA-N 1 0 293.407 3.036 20 10 CGCDRO Cc1cscc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000094878160 640804976 /nfs/dbraw/zinc/80/49/76/640804976.db2.gz SOMZEKILDMWUBV-UHFFFAOYSA-N 1 0 259.374 3.281 20 10 CGCDRO Cc1cccc(C[N@H+]2CCS[C@@H](C)[C@H]2C)c1O ZINC000252733999 640860888 /nfs/dbraw/zinc/86/08/88/640860888.db2.gz XSYPGTBBTAPVIF-NEPJUHHUSA-N 1 0 251.395 3.026 20 10 CGCDRO Cc1cc(F)ccc1[C@H](O)C[N@@H+](C)Cc1ccccc1O ZINC000304478539 640863732 /nfs/dbraw/zinc/86/37/32/640863732.db2.gz AHAIILSIGUUHDU-QGZVFWFLSA-N 1 0 289.350 3.005 20 10 CGCDRO COc1ccc(C[NH2+]CCc2cccc(C)n2)cc1C ZINC000280106608 641034675 /nfs/dbraw/zinc/03/46/75/641034675.db2.gz BDHPBXJLZMSVPW-UHFFFAOYSA-N 1 0 270.376 3.039 20 10 CGCDRO CC(C)CC[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000021046907 641045761 /nfs/dbraw/zinc/04/57/61/641045761.db2.gz SLTIQZLTXRJLPD-MRXNPFEDSA-N 1 0 290.451 3.438 20 10 CGCDRO Nc1ccc(Nc2c[nH+]ccc2N2CCCCC2)cc1 ZINC001159363827 806087170 /nfs/dbraw/zinc/08/71/70/806087170.db2.gz ALZUYJAQYXTMOF-UHFFFAOYSA-N 1 0 268.364 3.398 20 10 CGCDRO Nc1ccc(Nc2ccc([C@@H]3CCC[NH2+]3)cc2)cc1 ZINC001159485706 806112664 /nfs/dbraw/zinc/11/26/64/806112664.db2.gz QFBDQCOLYUGUBF-INIZCTEOSA-N 1 0 253.349 3.437 20 10 CGCDRO Nc1ccc(Nc2ccc([C@H]3CCC[NH2+]3)cc2)cc1 ZINC001159485716 806112982 /nfs/dbraw/zinc/11/29/82/806112982.db2.gz QFBDQCOLYUGUBF-MRXNPFEDSA-N 1 0 253.349 3.437 20 10 CGCDRO Nc1ccc(Nc2ccc(C3([NH3+])CCC3)cc2)cc1 ZINC001159720619 806161635 /nfs/dbraw/zinc/16/16/35/806161635.db2.gz FWSFPYTUNJRNKP-UHFFFAOYSA-N 1 0 253.349 3.350 20 10 CGCDRO Nc1ccc(Nc2ccccc2OCC2CC[NH2+]CC2)cc1 ZINC001160187437 806233494 /nfs/dbraw/zinc/23/34/94/806233494.db2.gz ISPLEFZVBSDXAJ-UHFFFAOYSA-N 1 0 297.402 3.391 20 10 CGCDRO Nc1ccc(Nc2ccccc2O[C@H]2CCC[NH2+]C2)cc1 ZINC001160232903 806239212 /nfs/dbraw/zinc/23/92/12/806239212.db2.gz JBIACPPGZMAWER-HNNXBMFYSA-N 1 0 283.375 3.143 20 10 CGCDRO CCCC[C@H](C)[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC001255322865 806612081 /nfs/dbraw/zinc/61/20/81/806612081.db2.gz LVCYTFSKIBILCS-HNNXBMFYSA-N 1 0 276.424 3.396 20 10 CGCDRO CCCCC[C@@H](C)[NH2+]Cc1cccc(OC)c1O ZINC000036792374 798850529 /nfs/dbraw/zinc/85/05/29/798850529.db2.gz TYQWTOPWZQWLFH-GFCCVEGCSA-N 1 0 251.370 3.459 20 10 CGCDRO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(OC)ccc1O ZINC000037031273 798856964 /nfs/dbraw/zinc/85/69/64/798856964.db2.gz RVYLEFLPWLZEFS-WFASDCNBSA-N 1 0 263.381 3.459 20 10 CGCDRO CCOc1cccc(C[NH2+][C@H]2CCC[C@@H](C)C2)c1O ZINC000037254231 798863298 /nfs/dbraw/zinc/86/32/98/798863298.db2.gz URWIHWYJJPRQMU-OCCSQVGLSA-N 1 0 263.381 3.459 20 10 CGCDRO c1ccc2c(c1)C[C@H]2C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000037566246 798869381 /nfs/dbraw/zinc/86/93/81/798869381.db2.gz MBCPKDCXIZRZMU-INIZCTEOSA-N 1 0 265.356 3.051 20 10 CGCDRO C[C@H](CC(F)(F)F)[N@@H+]1CCc2cccc(O)c2C1 ZINC001255660600 806697213 /nfs/dbraw/zinc/69/72/13/806697213.db2.gz IYRYZMKZJVWGGM-SECBINFHSA-N 1 0 259.271 3.091 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]C[C@@H]2Cc3ccccc32)c1 ZINC000071407988 798916957 /nfs/dbraw/zinc/91/69/57/798916957.db2.gz RHHHXPIHPJEPDN-AWEZNQCLSA-N 1 0 253.345 3.130 20 10 CGCDRO CC[C@H](C)[C@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)OC ZINC000381120117 799373267 /nfs/dbraw/zinc/37/32/67/799373267.db2.gz FBQVSKFXSFPNBX-YJBOKZPZSA-N 1 0 290.451 3.438 20 10 CGCDRO Cc1ccc(C[C@H](C)[NH2+]Cc2ccc(O)cc2O)cc1 ZINC001255778089 806747058 /nfs/dbraw/zinc/74/70/58/806747058.db2.gz QUOAWDPHRCEORQ-ZDUSSCGKSA-N 1 0 271.360 3.127 20 10 CGCDRO CC[C@@H]1C[C@H]1C[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000387959583 799449338 /nfs/dbraw/zinc/44/93/38/799449338.db2.gz DAQACZGCJFYKPB-ZJUUUORDSA-N 1 0 269.772 3.190 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)[C@H]2CCCOC2)cc1 ZINC000388903850 799457845 /nfs/dbraw/zinc/45/78/45/799457845.db2.gz AZYHFYPPOJVUKI-WBVHZDCISA-N 1 0 290.451 3.438 20 10 CGCDRO COc1ccc(O)c(C[NH2+]CC2CCCCCC2)c1 ZINC000389504181 799463490 /nfs/dbraw/zinc/46/34/90/799463490.db2.gz XJMGLZMRBQODMY-UHFFFAOYSA-N 1 0 263.381 3.461 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CC(C)(C)C(C)(C)O)c1 ZINC000393585855 799488880 /nfs/dbraw/zinc/48/88/80/799488880.db2.gz DMWUCKWNKQASEH-LBPRGKRZSA-N 1 0 265.397 3.148 20 10 CGCDRO Oc1ccccc1C[NH2+]Cc1ccsc1Cl ZINC000393752350 799490072 /nfs/dbraw/zinc/49/00/72/799490072.db2.gz PZRWBFCSOIIHDY-UHFFFAOYSA-N 1 0 253.754 3.397 20 10 CGCDRO Cc1cc(Br)cc(C[NH2+][C@H]2CC[C@@H]2C)c1O ZINC000393792266 799490880 /nfs/dbraw/zinc/49/08/80/799490880.db2.gz HQYAHVBLYRWXCY-UFBFGSQYSA-N 1 0 284.197 3.351 20 10 CGCDRO CC[C@H](C)[C@H](C[NH2+]Cc1ccc2c(c1)CCCN2C)OC ZINC000394475604 799497349 /nfs/dbraw/zinc/49/73/49/799497349.db2.gz HSUPMXUSGYCIOY-KSSFIOAISA-N 1 0 290.451 3.220 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CC23CCCC3)c1O ZINC000395644487 799505963 /nfs/dbraw/zinc/50/59/63/799505963.db2.gz GLSDWCDKQFLNNO-CYBMUJFWSA-N 1 0 281.783 3.477 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)S3)c1 ZINC000403656707 799569913 /nfs/dbraw/zinc/56/99/13/799569913.db2.gz WPPFBTPEDJGRIR-CRMUJIHISA-N 1 0 293.432 3.478 20 10 CGCDRO CC[C@H]1C[N@H+](Cc2cc(C)ccc2O)[C@@H](CC)CO1 ZINC000403805125 799572338 /nfs/dbraw/zinc/57/23/38/799572338.db2.gz IIKNRKXJQFEAGI-GJZGRUSLSA-N 1 0 263.381 3.090 20 10 CGCDRO CC[C@@H]1COC(C)(C)C[N@@H+]1Cc1cc(C)ccc1O ZINC000403823568 799572371 /nfs/dbraw/zinc/57/23/71/799572371.db2.gz LZGKNWAIFQZQSH-CQSZACIVSA-N 1 0 263.381 3.090 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1CCC[C@@H](C)O1)c1cc(F)ccc1O ZINC000688885708 799758440 /nfs/dbraw/zinc/75/84/40/799758440.db2.gz UAGQQXMUVSENQG-MDZLAQPJSA-N 1 0 267.344 3.140 20 10 CGCDRO C[C@]1(C[NH2+][C@H]2CCc3cccc(O)c32)CC1(F)F ZINC000689215685 799762233 /nfs/dbraw/zinc/76/22/33/799762233.db2.gz YDDSMXWNZATBPL-GXFFZTMASA-N 1 0 253.292 3.014 20 10 CGCDRO CCc1cccc(C[NH2+]CC(CC)(CC)OC)c1O ZINC000691448949 799784048 /nfs/dbraw/zinc/78/40/48/799784048.db2.gz STKVSWOSMCGUCS-UHFFFAOYSA-N 1 0 265.397 3.249 20 10 CGCDRO CCc1cccc(C[NH2+][C@H](C)CC(F)(F)F)c1O ZINC000691491044 799785593 /nfs/dbraw/zinc/78/55/93/799785593.db2.gz BGTHSBSURSUWMJ-SECBINFHSA-N 1 0 261.287 3.385 20 10 CGCDRO C[C@H](C[NH2+][C@@H](C)c1cc(F)ccc1O)c1ccccn1 ZINC000692694665 799796842 /nfs/dbraw/zinc/79/68/42/799796842.db2.gz HLFORFYSYRYEKG-NEPJUHHUSA-N 1 0 274.339 3.381 20 10 CGCDRO CO[C@@H](C[NH2+]Cc1c(O)cccc1Cl)C1CCCC1 ZINC000692951720 799804569 /nfs/dbraw/zinc/80/45/69/799804569.db2.gz PDESUSFYQPWFDQ-HNNXBMFYSA-N 1 0 283.799 3.340 20 10 CGCDRO CCc1cccc(C[NH2+]CCCc2ccccn2)c1O ZINC000693688500 799813984 /nfs/dbraw/zinc/81/39/84/799813984.db2.gz FBHPFCMVKDEKKM-UHFFFAOYSA-N 1 0 270.376 3.072 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CCN(C(C)(C)C)C1)c1cc(F)ccc1O ZINC000693914662 799818197 /nfs/dbraw/zinc/81/81/97/799818197.db2.gz YCLYCDXZVUDMGZ-YPMHNXCESA-N 1 0 280.387 3.055 20 10 CGCDRO COc1ccc(C[NH2+]C[C@@H](C)CC(F)F)cc1C ZINC000697742134 799848189 /nfs/dbraw/zinc/84/81/89/799848189.db2.gz LTZLLHQNUPFWHO-JTQLQIEISA-N 1 0 257.324 3.385 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](C)CC(F)F)c1 ZINC000700074596 799867739 /nfs/dbraw/zinc/86/77/39/799867739.db2.gz NHYFAGXLUBYYPM-UWVGGRQHSA-N 1 0 273.323 3.343 20 10 CGCDRO C[C@@H](CC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-])[NH+](C)C ZINC000700603350 799875208 /nfs/dbraw/zinc/87/52/08/799875208.db2.gz HPTSFUKOEKVQJN-VIFPVBQESA-N 1 0 291.222 3.129 20 10 CGCDRO C[C@H]1CCC[C@H](C[NH2+]Cc2cc(Cl)ccc2O)O1 ZINC000701511395 799889581 /nfs/dbraw/zinc/88/95/81/799889581.db2.gz HIOYYOAZFVJSLM-GXFFZTMASA-N 1 0 269.772 3.093 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]CC[C@@H]2CC2(F)F)c1O ZINC000701937454 799899698 /nfs/dbraw/zinc/89/96/98/799899698.db2.gz GHYMQBAQJFXPLG-SECBINFHSA-N 1 0 291.725 3.189 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCSC2)c(O)c1 ZINC000704789673 799939724 /nfs/dbraw/zinc/93/97/24/799939724.db2.gz HALUVCYOXICNKN-CHWSQXEVSA-N 1 0 265.422 3.494 20 10 CGCDRO CCOc1cccc(C[NH2+]CC[C@@H]2CCSC2)c1O ZINC000704811695 799941404 /nfs/dbraw/zinc/94/14/04/799941404.db2.gz IXUKNCHMZHZHGJ-GFCCVEGCSA-N 1 0 281.421 3.024 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]CC[C@@H]1CCSC1)CC2 ZINC000704814531 799942703 /nfs/dbraw/zinc/94/27/03/799942703.db2.gz NCTQWVGSXRFKQS-YPMHNXCESA-N 1 0 263.406 3.112 20 10 CGCDRO CCC[C@@H](C[NH2+][C@@H](C)c1cc(OC)ccc1O)OCC ZINC000705345220 799948287 /nfs/dbraw/zinc/94/82/87/799948287.db2.gz WRKYLVJVNNQFNG-JSGCOSHPSA-N 1 0 281.396 3.257 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](C3CCCC3)C2)c1 ZINC000708871964 799999792 /nfs/dbraw/zinc/99/97/92/799999792.db2.gz WRPZJAZAGGXEGS-CQSZACIVSA-N 1 0 275.392 3.413 20 10 CGCDRO COC(C)(C)CC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000711902978 800079575 /nfs/dbraw/zinc/07/95/75/800079575.db2.gz FSWCQVXQGFMMHN-CYBMUJFWSA-N 1 0 264.413 3.218 20 10 CGCDRO CO[C@@H]1C[C@H]([NH2+][C@H](C)c2cc(C)ccc2O)C12CCC2 ZINC000713481874 800110739 /nfs/dbraw/zinc/11/07/39/800110739.db2.gz ZFPBTVFGOLJLES-UHOFOFEASA-N 1 0 275.392 3.309 20 10 CGCDRO C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc(F)cc1[O-] ZINC000715490837 800136592 /nfs/dbraw/zinc/13/65/92/800136592.db2.gz MTPUMHPPOFBLAP-LMWSTFAQSA-N 1 0 280.387 3.055 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]CC[C@@H]1CCCS1)CC2 ZINC000715690801 800143541 /nfs/dbraw/zinc/14/35/41/800143541.db2.gz VFDWQKJJUFWVBW-QWHCGFSZSA-N 1 0 263.406 3.255 20 10 CGCDRO COCC(C)(C)CC[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000718774087 800222983 /nfs/dbraw/zinc/22/29/83/800222983.db2.gz NURMPVSDRSCNCT-ZDUSSCGKSA-N 1 0 265.397 3.414 20 10 CGCDRO CO[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N(C)C)cc2)CC1 ZINC000718856107 800225576 /nfs/dbraw/zinc/22/55/76/800225576.db2.gz CCUFQEBOCMZPRA-DOTOQJQBSA-N 1 0 276.424 3.190 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]C[C@H]1CC[C@@H](C2CC2)O1 ZINC000722319452 800313039 /nfs/dbraw/zinc/31/30/39/800313039.db2.gz JGHQKGKQWINXQN-HIFRSBDPSA-N 1 0 281.783 3.093 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]C[C@@H]1CC[C@H](C2CC2)O1 ZINC000722320326 800313798 /nfs/dbraw/zinc/31/37/98/800313798.db2.gz LOYHYUCKSYQJCX-XHDPSFHLSA-N 1 0 281.783 3.093 20 10 CGCDRO CC[C@@H]([NH2+][C@H](CCO)C1CCCC1)c1ccccc1O ZINC000725073272 800371693 /nfs/dbraw/zinc/37/16/93/800371693.db2.gz XPRDFQMWJRYUBQ-HZPDHXFCSA-N 1 0 277.408 3.374 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCC[C@@H](C)O2)c(Cl)c1 ZINC000850379419 800517766 /nfs/dbraw/zinc/51/77/66/800517766.db2.gz OEEYPMKYEKNGLM-VXGBXAGGSA-N 1 0 283.799 3.401 20 10 CGCDRO COc1cccc(O)c1C[N@H+](C)[C@H]1CC[C@@H](SC)C1 ZINC001116444857 802353310 /nfs/dbraw/zinc/35/33/10/802353310.db2.gz BQLNLJNJGCGKQT-NWDGAFQWSA-N 1 0 281.421 3.117 20 10 CGCDRO CO[C@@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)CC[C@H]1C ZINC001116721085 802401366 /nfs/dbraw/zinc/40/13/66/802401366.db2.gz PVQXGGIPXSABGR-CRAIPNDOSA-N 1 0 288.435 3.144 20 10 CGCDRO CC(C)CCN(C)c1ccc(OCC[NH+](C)C)cc1 ZINC001116772733 802408834 /nfs/dbraw/zinc/40/88/34/802408834.db2.gz DSPOROZTWNTHHW-UHFFFAOYSA-N 1 0 264.413 3.109 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC)C1)c1ccc(F)cc1[O-] ZINC001117139605 802436637 /nfs/dbraw/zinc/43/66/37/802436637.db2.gz OHCNBLOHMNLOPY-XJKSGUPXSA-N 1 0 294.414 3.304 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2CC[C@@H](OC(C)C)C2)cc1Cl ZINC001118577825 802586055 /nfs/dbraw/zinc/58/60/55/802586055.db2.gz LKQIPKPLTJDWDD-CYBMUJFWSA-N 1 0 283.799 3.353 20 10 CGCDRO COCCC1(C)C[NH+](Cc2cc(Cl)c(C)cc2O)C1 ZINC001118578078 802586120 /nfs/dbraw/zinc/58/61/20/802586120.db2.gz PNQRDFGVADCFOW-UHFFFAOYSA-N 1 0 283.799 3.212 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(-c2noc(C[C@@H](C)[NH3+])n2)cc1 ZINC001206000715 813159276 /nfs/dbraw/zinc/15/92/76/813159276.db2.gz WEBBZXDBKCVKIS-LLVKDONJSA-N 1 0 296.374 3.034 20 10 CGCDRO C[C@@H](C[N@H+](C)Cc1ccc(N(C)C)cc1)C(F)(F)F ZINC001208892550 813884055 /nfs/dbraw/zinc/88/40/55/813884055.db2.gz SBQUJDUQXCFEED-NSHDSACASA-N 1 0 274.330 3.383 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)C[C@@H]1F ZINC001138215376 803875193 /nfs/dbraw/zinc/87/51/93/803875193.db2.gz BRABGHVFKHJZFD-PBHICJAKSA-N 1 0 276.399 3.467 20 10 CGCDRO Cc1c(C[N@@H+]2CCOC(C)(C)C2)c2ccccc2n1C ZINC001138252546 803879122 /nfs/dbraw/zinc/87/91/22/803879122.db2.gz KWXAGNAJORSZOU-UHFFFAOYSA-N 1 0 272.392 3.098 20 10 CGCDRO Cc1c(C[N@H+]2CCC[C@H](C)[C@H]2CO)c2ccccc2n1C ZINC001138252348 803879864 /nfs/dbraw/zinc/87/98/64/803879864.db2.gz CZONYFUMDRWKAV-SCLBCKFNSA-N 1 0 286.419 3.080 20 10 CGCDRO Cc1c(C[N@H+]2C[C@@H](CO)CC[C@H]2C)c2ccccc2n1C ZINC001138252674 803881905 /nfs/dbraw/zinc/88/19/05/803881905.db2.gz PQYSPEKSZKSYKG-HIFRSBDPSA-N 1 0 286.419 3.080 20 10 CGCDRO Cc1c(C[NH+]2CC3(C2)CCOCC3)c2ccccc2n1C ZINC001138256843 803882678 /nfs/dbraw/zinc/88/26/78/803882678.db2.gz MRJPDHDQLUUJRN-UHFFFAOYSA-N 1 0 284.403 3.099 20 10 CGCDRO CC[N@H+](CCn1cccn1)Cc1c(C)n(C)c2ccccc21 ZINC001138258080 803883822 /nfs/dbraw/zinc/88/38/22/803883822.db2.gz KRHOUYLVJVGGDN-UHFFFAOYSA-N 1 0 296.418 3.205 20 10 CGCDRO CC(=O)C1CC[NH+](Cc2c(C)n(C)c3ccccc32)CC1 ZINC001138258535 803884999 /nfs/dbraw/zinc/88/49/99/803884999.db2.gz VDIMZFCDBNGFFL-UHFFFAOYSA-N 1 0 284.403 3.288 20 10 CGCDRO Cc1ccc(C[C@@H](C)[NH2+]CCc2ccc(N)cc2)cc1 ZINC001246462522 804345068 /nfs/dbraw/zinc/34/50/68/804345068.db2.gz AMUUHYVKUOELRC-OAHLLOKOSA-N 1 0 268.404 3.341 20 10 CGCDRO CC1(C)CCC2(CC[NH+](Cc3cc(F)ccc3O)CC2)O1 ZINC001140059915 804365987 /nfs/dbraw/zinc/36/59/87/804365987.db2.gz ANFXZCFMXUAHTR-UHFFFAOYSA-N 1 0 293.382 3.455 20 10 CGCDRO C[N@H+](Cc1ccccc1O)Cc1ccc(O)cc1Cl ZINC001140083888 804373523 /nfs/dbraw/zinc/37/35/23/804373523.db2.gz RMAAWVKMVCNDTP-UHFFFAOYSA-N 1 0 277.751 3.383 20 10 CGCDRO Cc1ccc(C)c(C[N@@H+]2CCC(F)(F)[C@H](C)C2)c1O ZINC001140178168 804394769 /nfs/dbraw/zinc/39/47/69/804394769.db2.gz BKSQEQMGAKUUGJ-GFCCVEGCSA-N 1 0 269.335 3.486 20 10 CGCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@@H](C(F)(F)F)C2)c1O ZINC001140182067 804397111 /nfs/dbraw/zinc/39/71/11/804397111.db2.gz HOZUEMKARGHKRI-LLVKDONJSA-N 1 0 273.298 3.393 20 10 CGCDRO Oc1cccc(Cl)c1C[N@@H+]1CC[C@@]2(C1)CCCCO2 ZINC001140337749 804418550 /nfs/dbraw/zinc/41/85/50/804418550.db2.gz CGORNQQGZJUWIJ-OAHLLOKOSA-N 1 0 281.783 3.191 20 10 CGCDRO Oc1cccc(Cl)c1C[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC001140338041 804418656 /nfs/dbraw/zinc/41/86/56/804418656.db2.gz SLOBJPSUDKNRGR-NHYWBVRUSA-N 1 0 281.783 3.047 20 10 CGCDRO Oc1cc(Cl)ccc1C[N@@H+]1CC[C@H]2CCCO[C@@H]2C1 ZINC001140463080 804440724 /nfs/dbraw/zinc/44/07/24/804440724.db2.gz RWHSMNPTVDSVSP-IAQYHMDHSA-N 1 0 281.783 3.047 20 10 CGCDRO COCC[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1O ZINC001140466966 804443683 /nfs/dbraw/zinc/44/36/83/804443683.db2.gz NWHHRVDLALHJTG-CQSZACIVSA-N 1 0 283.799 3.437 20 10 CGCDRO CCCOC1CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC001140621321 804476382 /nfs/dbraw/zinc/47/63/82/804476382.db2.gz VRAZJDOKKBCOSZ-UHFFFAOYSA-N 1 0 263.381 3.092 20 10 CGCDRO Cc1ccc(O)c(C[NH+]2CCC(Oc3cccnc3)CC2)c1 ZINC001140621284 804476957 /nfs/dbraw/zinc/47/69/57/804476957.db2.gz UHQUIYSWWDBSLR-UHFFFAOYSA-N 1 0 298.386 3.139 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCOC[C@H]2C2CCCCC2)c1 ZINC001140624212 804477937 /nfs/dbraw/zinc/47/79/37/804477937.db2.gz LDVHOLNFQDIGLA-KRWDZBQOSA-N 1 0 289.419 3.482 20 10 CGCDRO Cc1c(O)ccc(C[N@@H+]2CCC23CCCCC3)c1O ZINC001140743969 804503325 /nfs/dbraw/zinc/50/33/25/804503325.db2.gz GWNSTOMNLCYRCB-UHFFFAOYSA-N 1 0 261.365 3.315 20 10 CGCDRO CC[N@H+](Cc1cccs1)Cc1ccc(O)c(C)c1O ZINC001140747685 804504230 /nfs/dbraw/zinc/50/42/30/804504230.db2.gz IPYLMEQIPRQGOG-UHFFFAOYSA-N 1 0 277.389 3.490 20 10 CGCDRO Cc1ccc2c(c1)CC[N@@H+](Cc1ccc(O)c(C)c1O)C2 ZINC001140749785 804504332 /nfs/dbraw/zinc/50/43/32/804504332.db2.gz NAGMWJNIQRFJSK-UHFFFAOYSA-N 1 0 283.371 3.273 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC3(CC3)C2)c(O)c1 ZINC001140850426 804533356 /nfs/dbraw/zinc/53/33/56/804533356.db2.gz LITMXHPLEYPSIQ-UHFFFAOYSA-N 1 0 274.408 3.224 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)C(C)(C)C)c(O)c1 ZINC001140855424 804534111 /nfs/dbraw/zinc/53/41/11/804534111.db2.gz YLDZJNPADVJXSD-UHFFFAOYSA-N 1 0 264.413 3.469 20 10 CGCDRO COC1CC[NH+](Cc2ccc(N(C)C)cc2Cl)CC1 ZINC001140921812 804549098 /nfs/dbraw/zinc/54/90/98/804549098.db2.gz QYTNGBZBKLNREQ-UHFFFAOYSA-N 1 0 282.815 3.017 20 10 CGCDRO CO[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2Cl)CC1 ZINC001140925988 804550887 /nfs/dbraw/zinc/55/08/87/804550887.db2.gz WQDZUDWURBAHCD-OAHLLOKOSA-N 1 0 296.842 3.407 20 10 CGCDRO Cc1ccc(C[N@H+](C)CCc2ccccc2)c(O)c1 ZINC001140948759 804556358 /nfs/dbraw/zinc/55/63/58/804556358.db2.gz YVKVXHVGRZINBC-UHFFFAOYSA-N 1 0 255.361 3.375 20 10 CGCDRO Cc1ccc(C[N@@H+]2CC[C@H](OCc3ccccc3)C2)c(O)c1 ZINC001140949389 804556377 /nfs/dbraw/zinc/55/63/77/804556377.db2.gz APIZVCMBGIRIFO-SFHVURJKSA-N 1 0 297.398 3.492 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCOc3ccccc3C2)c(O)c1 ZINC001140949660 804556585 /nfs/dbraw/zinc/55/65/85/804556585.db2.gz HIAAXIXMQLBOPS-UHFFFAOYSA-N 1 0 269.344 3.095 20 10 CGCDRO C[C@H]1CCC[N@H+](Cc2ccc3c(c2)OCCN3C)CC1 ZINC001141139858 804596775 /nfs/dbraw/zinc/59/67/75/804596775.db2.gz DCOILIIOXDKOQR-AWEZNQCLSA-N 1 0 274.408 3.137 20 10 CGCDRO C[C@H]1C[N@@H+](Cc2ccc3c(c2)OCCN3C)CCC[C@@H]1C ZINC001141140442 804597149 /nfs/dbraw/zinc/59/71/49/804597149.db2.gz MFVPKSMVVXWCCK-GJZGRUSLSA-N 1 0 288.435 3.383 20 10 CGCDRO Oc1ccc(O)c(C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC001141161770 804601254 /nfs/dbraw/zinc/60/12/54/804601254.db2.gz XLEGZUWJQMRZDD-CYBMUJFWSA-N 1 0 287.334 3.226 20 10 CGCDRO C[C@@H]1Cc2ccccc2C[N@@H+]1Cc1cc(O)ccc1O ZINC001141160590 804601488 /nfs/dbraw/zinc/60/14/88/804601488.db2.gz FLNJUDAQWZGSGR-GFCCVEGCSA-N 1 0 269.344 3.045 20 10 CGCDRO C[C@H]1Cc2ccccc2C[N@@H+]1Cc1cc(O)ccc1O ZINC001141160595 804601502 /nfs/dbraw/zinc/60/15/02/804601502.db2.gz FLNJUDAQWZGSGR-LBPRGKRZSA-N 1 0 269.344 3.045 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2cccc(C(C)(C)C)c2O)CC[C@]1(C)O ZINC001143104518 804801703 /nfs/dbraw/zinc/80/17/03/804801703.db2.gz USLWGZIFHAAIFM-ACJLOTCBSA-N 1 0 291.435 3.283 20 10 CGCDRO CC(C)(C)c1cc(O)c(C[N@@H+]2CCC[C@@H]2CO)cc1Cl ZINC001248879652 805030771 /nfs/dbraw/zinc/03/07/71/805030771.db2.gz CFSHTLXBQVSBTJ-GFCCVEGCSA-N 1 0 297.826 3.300 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)[C@@H]2CCCSC2)cc1 ZINC001257684537 807215923 /nfs/dbraw/zinc/21/59/23/807215923.db2.gz UWVZYARCVZWGOF-OAHLLOKOSA-N 1 0 264.438 3.080 20 10 CGCDRO COc1ccc(N2CC[NH+](C3CCC(C)CC3)CC2)cc1 ZINC001168209251 807350049 /nfs/dbraw/zinc/35/00/49/807350049.db2.gz PABWJZJIRQMFKG-UHFFFAOYSA-N 1 0 288.435 3.396 20 10 CGCDRO Cc1cc(C)c(C[NH2+][C@@H](C)Cc2cccnc2)c(O)c1 ZINC001258615711 807511265 /nfs/dbraw/zinc/51/12/65/807511265.db2.gz NRNSHURRXQQVGA-AWEZNQCLSA-N 1 0 270.376 3.125 20 10 CGCDRO C[C@@H]1CC[C@@H]([N@@H+]2CCCc3cc(O)c(O)cc3C2)C1 ZINC001170147614 807774951 /nfs/dbraw/zinc/77/49/51/807774951.db2.gz DFWOMHGQJISLMO-BXUZGUMPSA-N 1 0 261.365 3.035 20 10 CGCDRO COc1ccc(N2CC[NH+]([C@H]3CC[C@H](C)C3)CC2)c(C)c1 ZINC001170157334 807780420 /nfs/dbraw/zinc/78/04/20/807780420.db2.gz KICYJDQGZTYILC-HOCLYGCPSA-N 1 0 288.435 3.314 20 10 CGCDRO CC[C@@H](CSC)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001261788127 807787568 /nfs/dbraw/zinc/78/75/68/807787568.db2.gz MNWIOXKICUYRQQ-NSHDSACASA-N 1 0 288.407 3.262 20 10 CGCDRO [NH3+]Cc1cc(NCc2cc3ccccc3cc2O)ccn1 ZINC001171406989 808049444 /nfs/dbraw/zinc/04/94/44/808049444.db2.gz IKVABLBMNVHCKN-UHFFFAOYSA-N 1 0 279.343 3.011 20 10 CGCDRO CC[C@H]1COC(C)(C)C[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC001171778180 808136487 /nfs/dbraw/zinc/13/64/87/808136487.db2.gz JYWYNXPLXRGXRB-HNNXBMFYSA-N 1 0 276.424 3.142 20 10 CGCDRO CC(C)OC(=O)CC[C@@H](C)[NH2+][C@H](C)c1ccccc1O ZINC001172744086 808427287 /nfs/dbraw/zinc/42/72/87/808427287.db2.gz OGICJGJGUUSLJL-CHWSQXEVSA-N 1 0 279.380 3.163 20 10 CGCDRO CO[C@H]1CCC[C@@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC001172923140 808482053 /nfs/dbraw/zinc/48/20/53/808482053.db2.gz MCUDNXUWCBQRPM-LXZKKBNFSA-N 1 0 276.424 3.361 20 10 CGCDRO Cc1c[nH+]ccc1Nc1cc2ccccc2cc1O ZINC001174539076 809071714 /nfs/dbraw/zinc/07/17/14/809071714.db2.gz BJNBOJBLFXVOFR-UHFFFAOYSA-N 1 0 250.301 3.414 20 10 CGCDRO COc1ccc(C[NH2+]C[C@@H](O)c2ccccc2C)cc1C ZINC001177799713 809823005 /nfs/dbraw/zinc/82/30/05/809823005.db2.gz FVKDBUYOHSZSKE-QGZVFWFLSA-N 1 0 285.387 3.135 20 10 CGCDRO CCOCc1cc(C[NH2+]C2CC(C)C2)ccc1OC ZINC001177962200 809835805 /nfs/dbraw/zinc/83/58/05/809835805.db2.gz OMBFMMTVRWTECM-UHFFFAOYSA-N 1 0 263.381 3.120 20 10 CGCDRO CCCOc1ccc(C[NH2+]CC[C@H](O)CC)cc1C ZINC001177999724 809838499 /nfs/dbraw/zinc/83/84/99/809838499.db2.gz NBFDMXXYEMVDMZ-OAHLLOKOSA-N 1 0 265.397 3.034 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2C[C@@H](C)C[C@@H]2c2cccnc2)c1 ZINC001180664766 810017247 /nfs/dbraw/zinc/01/72/47/810017247.db2.gz JDVKNPTVPZZJLP-SUMWQHHRSA-N 1 0 298.386 3.379 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCOc3ccc(C)cc3C2)c(O)c1 ZINC001181675577 810066374 /nfs/dbraw/zinc/06/63/74/810066374.db2.gz SRWNHRHNOHAQGR-UHFFFAOYSA-N 1 0 283.371 3.404 20 10 CGCDRO Cc1ccc(C[NH2+]CC[C@@H]2COc3ccccc3O2)c(O)c1 ZINC001182432655 810109778 /nfs/dbraw/zinc/10/97/78/810109778.db2.gz CAWYOHDVZNDOGL-OAHLLOKOSA-N 1 0 299.370 3.020 20 10 CGCDRO CN(Cc1ccc(Cl)cc1O)C(C)(C)C[NH+]1CCCC1 ZINC001182469232 810111145 /nfs/dbraw/zinc/11/11/45/810111145.db2.gz ABGFVEVULXYQSM-UHFFFAOYSA-N 1 0 296.842 3.352 20 10 CGCDRO COc1ccc(N(C)C[C@@H]2CCCC[N@@H+]2C(C)C)cc1 ZINC001195810967 811295105 /nfs/dbraw/zinc/29/51/05/811295105.db2.gz WYQGBPMZKBUZQG-INIZCTEOSA-N 1 0 276.424 3.394 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc2c[nH]nc2c1)c1ccccc1O ZINC001197003427 811389354 /nfs/dbraw/zinc/38/93/54/811389354.db2.gz GMWZGFQCZWVEID-LLVKDONJSA-N 1 0 267.332 3.119 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCO[C@@H](C(C)(C)C)CC2)cc1 ZINC001198799570 811543926 /nfs/dbraw/zinc/54/39/26/811543926.db2.gz BOWDXTWDCCJAGV-QGZVFWFLSA-N 1 0 290.451 3.390 20 10 CGCDRO COc1ccc(C[NH2+]C[C@@H]2CC2(C)C)cc1Cn1cccn1 ZINC001200365382 811682178 /nfs/dbraw/zinc/68/21/78/811682178.db2.gz KTXHIRZTVLLDIX-INIZCTEOSA-N 1 0 299.418 3.076 20 10 CGCDRO CCN1CCCC[C@H]1C[NH2+]Cc1c(C)c2ccccc2n1C ZINC001200413027 811688004 /nfs/dbraw/zinc/68/80/04/811688004.db2.gz VIEXQNQIYSTIMO-INIZCTEOSA-N 1 0 299.462 3.451 20 10 CGCDRO COc1ccc(C[NH2+]Cc2ccc(OC)c(C)c2)c(F)c1 ZINC001201407699 811832262 /nfs/dbraw/zinc/83/22/62/811832262.db2.gz NFYIQZGNPIAPDL-UHFFFAOYSA-N 1 0 289.350 3.441 20 10 CGCDRO CC[C@@H](C)C[NH+]1CCN(c2ccc(OC)cc2C)CC1 ZINC001201516959 811879958 /nfs/dbraw/zinc/87/99/58/811879958.db2.gz HVOMCAYCXJZCJF-CQSZACIVSA-N 1 0 276.424 3.172 20 10 CGCDRO CCC[C@H](C)C[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001201554086 811901593 /nfs/dbraw/zinc/90/15/93/811901593.db2.gz UCCBJYUBWCYDIW-LBPRGKRZSA-N 1 0 263.381 3.282 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2CCO)cc1C ZINC001202102318 812015148 /nfs/dbraw/zinc/01/51/48/812015148.db2.gz POJHYAFSQPDMGL-IAGOWNOFSA-N 1 0 291.435 3.425 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC001203556544 812391097 /nfs/dbraw/zinc/39/10/97/812391097.db2.gz RUTOWJRCQCKXHI-AWEZNQCLSA-N 1 0 268.360 3.167 20 10 CGCDRO CC1(C)OCCC12CC[NH+](Cc1ccccc1O)CC2 ZINC001203561401 812393234 /nfs/dbraw/zinc/39/32/34/812393234.db2.gz UWGFSMGKUAGBCI-UHFFFAOYSA-N 1 0 275.392 3.173 20 10 CGCDRO COc1cccc(C[N@@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)c1O ZINC001203599531 812405574 /nfs/dbraw/zinc/40/55/74/812405574.db2.gz HQLDKHXEHOFYNG-GASCZTMLSA-N 1 0 295.382 3.488 20 10 CGCDRO CCC[N@H+](Cc1ccc(OC)cc1O)[C@@H](C)CC ZINC001203617031 812408324 /nfs/dbraw/zinc/40/83/24/812408324.db2.gz GNLANHAAXLAVAD-LBPRGKRZSA-N 1 0 251.370 3.411 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](F)CC1 ZINC001203651812 812414890 /nfs/dbraw/zinc/41/48/90/812414890.db2.gz XJGSZSQGRMUJHX-GFCCVEGCSA-N 1 0 257.736 3.370 20 10 CGCDRO CC(C)(C)C1CC[NH+](Cc2ccc(O)c(O)c2)CC1 ZINC001203874743 812478167 /nfs/dbraw/zinc/47/81/67/812478167.db2.gz CFUBFNBEWZQVGP-UHFFFAOYSA-N 1 0 263.381 3.356 20 10 CGCDRO C[N@H+](C/C=C/c1ccccc1)Cc1ccc(O)c(O)c1 ZINC001203879974 812478956 /nfs/dbraw/zinc/47/89/56/812478956.db2.gz LBYWOXGZJDWEOQ-VMPITWQZSA-N 1 0 269.344 3.243 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H]3OCC[C@H]3C2)cc1 ZINC001203941586 812497074 /nfs/dbraw/zinc/49/70/74/812497074.db2.gz CGCZZACDZSKFOO-WMZOPIPTSA-N 1 0 288.435 3.144 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H](F)C[C@H]2C)cc1 ZINC001203936867 812497237 /nfs/dbraw/zinc/49/72/37/812497237.db2.gz QAJJVCLRYRFKGW-HIFRSBDPSA-N 1 0 264.388 3.465 20 10 CGCDRO CCN(CC)c1ccc(CN2CCC(=O)[C@@H](F)CC2)cc1 ZINC001203940310 812497488 /nfs/dbraw/zinc/49/74/88/812497488.db2.gz LTYSGJZOLAINPI-INIZCTEOSA-N 1 0 292.398 3.036 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@]3(CCCO3)C2)cc1 ZINC001203940648 812497678 /nfs/dbraw/zinc/49/76/78/812497678.db2.gz STGRHSZSGLDBOV-GOSISDBHSA-N 1 0 288.435 3.288 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@](C)(O)[C@@H](C)C2)cc1 ZINC001203939974 812497735 /nfs/dbraw/zinc/49/77/35/812497735.db2.gz HCPROBSAODOHIN-MAUKXSAKSA-N 1 0 290.451 3.126 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](O)CC2)cc1 ZINC001203937188 812497930 /nfs/dbraw/zinc/49/79/30/812497930.db2.gz QZPHEHYMHMYQCE-QAPCUYQASA-N 1 0 290.451 3.126 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCOCC23CC3)c2ccccc21 ZINC001204239931 812581236 /nfs/dbraw/zinc/58/12/36/812581236.db2.gz FRUXLQMFGYRLLN-UHFFFAOYSA-N 1 0 296.414 3.271 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H]3OCC[C@H]32)c2ccccc21 ZINC001204234998 812581881 /nfs/dbraw/zinc/58/18/81/812581881.db2.gz BZUMCIBZYBLFDG-RTBURBONSA-N 1 0 296.414 3.269 20 10 CGCDRO C[C@H]1C[N@H+](Cc2ccc(N(C)C)c3ccccc23)CCO1 ZINC001204235232 812581908 /nfs/dbraw/zinc/58/19/08/812581908.db2.gz LBBAJRZGPNTTCX-AWEZNQCLSA-N 1 0 284.403 3.127 20 10 CGCDRO CC[N@H+](Cc1ccc(F)cc1)Cc1ccc(O)cc1O ZINC001204279628 812593603 /nfs/dbraw/zinc/59/36/03/812593603.db2.gz CXNGADYUSWRJCT-UHFFFAOYSA-N 1 0 275.323 3.259 20 10 CGCDRO COc1cc(C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)cc(O)c1O ZINC001204348687 812618121 /nfs/dbraw/zinc/61/81/21/812618121.db2.gz IFVXAHOPSUJWFR-ZIAGYGMSSA-N 1 0 291.391 3.119 20 10 CGCDRO C[C@@H]1C[NH+](C/C=C\c2ccc(N(C)C)cc2)C[C@H]1C ZINC001204769895 812730363 /nfs/dbraw/zinc/73/03/63/812730363.db2.gz XJNNIFHWDPQTMI-JBZXTQMFSA-N 1 0 258.409 3.354 20 10 CGCDRO C[C@H]1Cc2cc(C[N@H+](C)Cc3ccccc3O)ccc2O1 ZINC001204826921 812748586 /nfs/dbraw/zinc/74/85/86/812748586.db2.gz ODBNLICTRPSTCL-ZDUSSCGKSA-N 1 0 283.371 3.348 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@H]3CCC[C@H]32)c1O ZINC001204892080 812766875 /nfs/dbraw/zinc/76/68/75/812766875.db2.gz UVQSMCLMMBEVAP-UKRRQHHQSA-N 1 0 275.392 3.474 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CCCC[C@H](C)C2)c1O ZINC001205437761 812982929 /nfs/dbraw/zinc/98/29/29/812982929.db2.gz JUPPBPMUBFWWBW-LBPRGKRZSA-N 1 0 263.381 3.331 20 10 CGCDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1c(C)cc(OC)cc1O ZINC001205489288 812991281 /nfs/dbraw/zinc/99/12/81/812991281.db2.gz NGJMHKQEIMSSGA-XHDPSFHLSA-N 1 0 263.381 3.330 20 10 CGCDRO CCCN(C[C@@H](OC)[C@@H](C)CC)c1ccc(C[NH3+])cc1 ZINC001205657015 813044595 /nfs/dbraw/zinc/04/45/95/813044595.db2.gz WUEKWBNPGQYJPC-WMLDXEAASA-N 1 0 278.440 3.423 20 10 CGCDRO COc1cccc(C[NH2+][C@H]2C[C@@H]3CC[C@@H](C3)C2)c1O ZINC001205677672 813049545 /nfs/dbraw/zinc/04/95/45/813049545.db2.gz FLHHFINVQOWRMC-IMRBUKKESA-N 1 0 261.365 3.069 20 10 CGCDRO CC(C)(C)c1ccc(O)c(CN2CCCC[C@@H]([NH3+])C2)c1 ZINC001205939589 813141339 /nfs/dbraw/zinc/14/13/39/813141339.db2.gz RTOMXZVUVXONCG-OAHLLOKOSA-N 1 0 276.424 3.003 20 10 CGCDRO C[C@@H]1CN(Cc2cc(Cl)c(C(C)(C)C)cc2O)C[C@H]1[NH3+] ZINC001206075745 813192129 /nfs/dbraw/zinc/19/21/29/813192129.db2.gz XPCHNOXQNMKAQZ-QMTHXVAHSA-N 1 0 296.842 3.122 20 10 CGCDRO COc1cc(C)c(C[NH2+]C[C@]2(C)CC2(C)C)c(O)c1 ZINC001207356144 813549167 /nfs/dbraw/zinc/54/91/67/813549167.db2.gz GWQJUMRACLJYRZ-INIZCTEOSA-N 1 0 263.381 3.235 20 10 CGCDRO Oc1cc(Cl)ccc1C[NH2+]Cc1cccc2c1OCC2 ZINC001207654928 813627965 /nfs/dbraw/zinc/62/79/65/813627965.db2.gz NNZIGYUOYZHHJA-UHFFFAOYSA-N 1 0 289.762 3.270 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+]Cc2cc(C3CC3)nn2C)c1 ZINC001207658084 813628219 /nfs/dbraw/zinc/62/82/19/813628219.db2.gz FMDCSWYOWKXKOS-UHFFFAOYSA-N 1 0 299.418 3.416 20 10 CGCDRO CC[N@H+](CCCc1ccncc1)Cc1ccccc1O ZINC001209188856 813959869 /nfs/dbraw/zinc/95/98/69/813959869.db2.gz BMHDGXKJUQZMGL-UHFFFAOYSA-N 1 0 270.376 3.242 20 10 CGCDRO CC[N@@H+](Cc1ccccc1O)CC1CCC(OC)CC1 ZINC001209400070 814014585 /nfs/dbraw/zinc/01/45/85/814014585.db2.gz FIAUQNVXOWUWTE-UHFFFAOYSA-N 1 0 277.408 3.419 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CCO[C@@H](C)C2)cc1 ZINC001209516383 814070783 /nfs/dbraw/zinc/07/07/83/814070783.db2.gz FESURGKDXQRLCW-INIZCTEOSA-N 1 0 284.403 3.315 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(C[NH+]2CC3(C2)CCOC3)cc1 ZINC001209519420 814072504 /nfs/dbraw/zinc/07/25/04/814072504.db2.gz SORJBWLUMZZJEN-UHFFFAOYSA-N 1 0 296.414 3.316 20 10 CGCDRO C[NH+](C)Cc1ccccc1Nc1ccc2c(c1)OCCN2 ZINC001209788241 814139099 /nfs/dbraw/zinc/13/90/99/814139099.db2.gz KIZBSYFVOOOCOE-UHFFFAOYSA-N 1 0 283.375 3.296 20 10 CGCDRO C[C@@H]1C[NH2+]C[C@H](C)N1Cc1cccc(-c2ccccc2)c1O ZINC001209887871 814188265 /nfs/dbraw/zinc/18/82/65/814188265.db2.gz YRLSVLAVTSQHNF-GASCZTMLSA-N 1 0 296.414 3.241 20 10 CGCDRO Cn1c[nH+]cc1Nc1ccccc1C(=O)c1ccccc1 ZINC001211249625 814860104 /nfs/dbraw/zinc/86/01/04/814860104.db2.gz WYIYKZAWELNCJE-UHFFFAOYSA-N 1 0 277.327 3.395 20 10 CGCDRO Oc1ccc(Cl)cc1Nc1cc[nH+]c2c1CCC2 ZINC001216397971 815812062 /nfs/dbraw/zinc/81/20/62/815812062.db2.gz REUIYRUOMWRFDC-UHFFFAOYSA-N 1 0 260.724 3.095 20 10 CGCDRO [NH3+][C@H]1CCC[C@H]1c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001217701764 815942063 /nfs/dbraw/zinc/94/20/63/815942063.db2.gz RHHOAFHNKNFROC-CABCVRRESA-N 1 0 294.358 3.122 20 10 CGCDRO [NH3+][C@H]1CC[C@@H](c2nnc(-c3ccc(-n4cccc4)cc3)o2)C1 ZINC001217720952 815949466 /nfs/dbraw/zinc/94/94/66/815949466.db2.gz RAJNRRSVIYBQLQ-KGLIPLIRSA-N 1 0 294.358 3.122 20 10 CGCDRO CC1(C)CCC[C@H](Oc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001218350638 816174099 /nfs/dbraw/zinc/17/40/99/816174099.db2.gz OJFHZPLWBAECEC-KRWDZBQOSA-N 1 0 288.435 3.444 20 10 CGCDRO CC(C)c1ccc(CN2CCC[C@]23CCC[NH2+]C3)c(O)c1 ZINC001222252727 816387719 /nfs/dbraw/zinc/38/77/19/816387719.db2.gz JPPFDLYJHHKWFS-SFHVURJKSA-N 1 0 288.435 3.234 20 10 CGCDRO COc1cc(C[N@@H+]2CCCC3(CCCC3)C2)c(O)cc1O ZINC001231632982 818143552 /nfs/dbraw/zinc/14/35/52/818143552.db2.gz GZJMYRMHWSPSAS-UHFFFAOYSA-N 1 0 291.391 3.263 20 10 CGCDRO COc1cc(C[NH+]2C3CCCC2CCC3)c(O)cc1O ZINC001231638735 818144056 /nfs/dbraw/zinc/14/40/56/818144056.db2.gz FQFJXBIOPRMWBO-UHFFFAOYSA-N 1 0 277.364 3.013 20 10 CGCDRO CCC(CC)[N@H+](CC)Cc1cc(OC)c(O)cc1O ZINC001231638360 818144413 /nfs/dbraw/zinc/14/44/13/818144413.db2.gz YKRLZTVMLMALIB-UHFFFAOYSA-N 1 0 267.369 3.117 20 10 CGCDRO CC[N@H+](Cc1cc(OC)c(O)cc1O)C1CCCCC1 ZINC001231633317 818144585 /nfs/dbraw/zinc/14/45/85/818144585.db2.gz UYVOHZYEOVXNNL-UHFFFAOYSA-N 1 0 279.380 3.261 20 10 CGCDRO Cc1cc(C)c(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)c(O)c1 ZINC001231841469 818186579 /nfs/dbraw/zinc/18/65/79/818186579.db2.gz BDBPRYUFECLRQR-YOEHRIQHSA-N 1 0 275.392 3.010 20 10 CGCDRO Cc1cc(C)c(C[N@@H+]2CC[C@@H]3CCCO[C@@H]3C2)c(O)c1 ZINC001231844512 818186988 /nfs/dbraw/zinc/18/69/88/818186988.db2.gz LRVPXHJHKBJIRF-WMLDXEAASA-N 1 0 275.392 3.010 20 10 CGCDRO Cc1cc(C)c(C[N@@H+]2CCCOC(C)(C)C2)c(O)c1 ZINC001231846091 818187680 /nfs/dbraw/zinc/18/76/80/818187680.db2.gz FXJMMLWVWCFTSG-UHFFFAOYSA-N 1 0 263.381 3.010 20 10 CGCDRO COc1cc(N(C)C)ccc1C[NH+]1CCC(C(F)F)CC1 ZINC001231855378 818188504 /nfs/dbraw/zinc/18/85/04/818188504.db2.gz RJDXOSDROVYNMQ-UHFFFAOYSA-N 1 0 298.377 3.238 20 10 CGCDRO Cc1cc(O)c(CN2CC[N@@H+]3CCCC[C@@H]3C2)cc1Cl ZINC001231868719 818194090 /nfs/dbraw/zinc/19/40/90/818194090.db2.gz FJUQMLRJPGGZHZ-CQSZACIVSA-N 1 0 294.826 3.024 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2C[C@H]3CC[C@@H]2C3)cc1Cl ZINC001231870479 818194534 /nfs/dbraw/zinc/19/45/34/818194534.db2.gz FGMMVFZWESKEAU-CMPLNLGQSA-N 1 0 251.757 3.338 20 10 CGCDRO C[C@H]1C[N@H+](Cc2ccc3ccccc3c2O)CC[C@@]1(C)O ZINC001231879579 818200242 /nfs/dbraw/zinc/20/02/42/818200242.db2.gz JAWYBLKINQGSPJ-SCLBCKFNSA-N 1 0 285.387 3.138 20 10 CGCDRO Oc1c(C[N@@H+]2CCOC[C@@H]2C2CC2)ccc2ccccc21 ZINC001231882019 818200397 /nfs/dbraw/zinc/20/03/97/818200397.db2.gz DDLNEBOXQZTGJW-QGZVFWFLSA-N 1 0 283.371 3.156 20 10 CGCDRO COc1cc(O)c(CN2CCCC[C@H](F)C2)cc1Cl ZINC001232264025 818298032 /nfs/dbraw/zinc/29/80/32/818298032.db2.gz CIIGFVDDQAQHKV-NSHDSACASA-N 1 0 287.762 3.378 20 10 CGCDRO COc1cc(O)c(C[N@H+](C)Cc2ccccn2)cc1Cl ZINC001232265825 818298852 /nfs/dbraw/zinc/29/88/52/818298852.db2.gz PQOBSMMUTQBCFC-UHFFFAOYSA-N 1 0 292.766 3.081 20 10 CGCDRO CSc1ccc(C[N@@H+]2CCc3cccc(O)c3C2)cn1 ZINC001232329776 818316324 /nfs/dbraw/zinc/31/63/24/818316324.db2.gz CYXVAYPKKDNAIX-UHFFFAOYSA-N 1 0 286.400 3.067 20 10 CGCDRO CNc1ccccc1C[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001232672577 818415239 /nfs/dbraw/zinc/41/52/39/818415239.db2.gz GBLBAQSWGMFAOR-UHFFFAOYSA-N 1 0 298.386 3.088 20 10 CGCDRO C[C@H]1CCC[C@H](C)[NH+]1Cc1ccc(N(C)C)cc1O ZINC001232835193 818452239 /nfs/dbraw/zinc/45/22/39/818452239.db2.gz ZDMQPDIAOJGUJP-STQMWFEESA-N 1 0 262.397 3.221 20 10 CGCDRO CCCC1CC[NH+](Cc2ccc(N(C)C)cc2O)CC1 ZINC001232839584 818453439 /nfs/dbraw/zinc/45/34/39/818453439.db2.gz QZKGBYYMFGGEOA-UHFFFAOYSA-N 1 0 276.424 3.470 20 10 CGCDRO C[C@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2O)[C@H]1C ZINC001232839456 818453754 /nfs/dbraw/zinc/45/37/54/818453754.db2.gz OEWOYENZWYEHSA-STQMWFEESA-N 1 0 262.397 3.079 20 10 CGCDRO Cc1cc(O)cc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)c1 ZINC001232882430 818463433 /nfs/dbraw/zinc/46/34/33/818463433.db2.gz SDHDYKIFPHPTRD-UHFFFAOYSA-N 1 0 299.370 3.060 20 10 CGCDRO Cc1cc(Br)cc(C[NH+]2CC3(CCC3)C2)c1O ZINC001233106556 818524305 /nfs/dbraw/zinc/52/43/05/818524305.db2.gz JLJLXINIINWFCR-UHFFFAOYSA-N 1 0 296.208 3.449 20 10 CGCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)c1 ZINC001233284045 818565284 /nfs/dbraw/zinc/56/52/84/818565284.db2.gz FWVZNCFKVWDKLG-HIFRSBDPSA-N 1 0 289.419 3.158 20 10 CGCDRO CCOC(=O)CC[N@H+](C)Cc1cc(C(C)(C)C)ccc1O ZINC001233286326 818567320 /nfs/dbraw/zinc/56/73/20/818567320.db2.gz OSVLYDNRSNHYIJ-UHFFFAOYSA-N 1 0 293.407 3.075 20 10 CGCDRO CC(C)(C)c1ccc(O)c(C[NH+]2CC3(C2)CCCOC3)c1 ZINC001233284397 818568195 /nfs/dbraw/zinc/56/81/95/818568195.db2.gz SULRLVKRMLEVFZ-UHFFFAOYSA-N 1 0 289.419 3.302 20 10 CGCDRO OCC1CC[NH+](Cc2cccc(-c3ccccc3)c2O)CC1 ZINC001234998107 818971627 /nfs/dbraw/zinc/97/16/27/818971627.db2.gz FENHCAQZCWWYMQ-UHFFFAOYSA-N 1 0 297.398 3.264 20 10 CGCDRO CO[C@H]1CC[N@H+](Cc2cccc(-c3ccccc3)c2O)C1 ZINC001235000745 818974918 /nfs/dbraw/zinc/97/49/18/818974918.db2.gz KOJWSMOGJDSBDY-INIZCTEOSA-N 1 0 283.371 3.280 20 10 CGCDRO CCc1cccc(C[N@H+](C)Cc2ccc(N(C)C)cc2)n1 ZINC001235265593 819057515 /nfs/dbraw/zinc/05/75/15/819057515.db2.gz XITIHZIOQLSYNV-UHFFFAOYSA-N 1 0 283.419 3.342 20 10 CGCDRO CC(C)(C)c1ccc(C[N@@H+]2CC[C@@H](F)C2)c(O)c1 ZINC001235674876 819134868 /nfs/dbraw/zinc/13/48/68/819134868.db2.gz HOQQUIGMIMYESX-CYBMUJFWSA-N 1 0 251.345 3.234 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2ccc(C(C)(C)C)cc2O)C[C@@]1(C)O ZINC001235676310 819137111 /nfs/dbraw/zinc/13/71/11/819137111.db2.gz PUAWDCOCJNCVBM-FZKQIMNGSA-N 1 0 291.435 3.283 20 10 CGCDRO CCC1(O)CC[NH+](Cc2ccc(C(C)(C)C)cc2O)CC1 ZINC001235677754 819138519 /nfs/dbraw/zinc/13/85/19/819138519.db2.gz HJKYKNVBVYNATK-UHFFFAOYSA-N 1 0 291.435 3.427 20 10 CGCDRO CC[C@@H]1C[NH2+]CCN1Cc1cccc(-c2ccccc2)c1O ZINC001235771579 819164768 /nfs/dbraw/zinc/16/47/68/819164768.db2.gz GREKMNQYTBWLKH-QGZVFWFLSA-N 1 0 296.414 3.243 20 10 CGCDRO C[C@@H]1CC[C@H]([NH3+])CN1Cc1cc(C(C)(C)C)ccc1O ZINC001235902414 819212091 /nfs/dbraw/zinc/21/20/91/819212091.db2.gz FSUDXRFYGGGABO-DOMZBBRYSA-N 1 0 276.424 3.001 20 10 CGCDRO C[C@@H]1C[C@H]([NH3+])CN(Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001236044554 819282209 /nfs/dbraw/zinc/28/22/09/819282209.db2.gz NSOAVWPIIRBMQO-ZBFHGGJFSA-N 1 0 297.446 3.075 20 10 CGCDRO Oc1c(CN(C2CC2)[C@H]2CCC[NH2+]C2)ccc2ccccc21 ZINC001236240927 819400121 /nfs/dbraw/zinc/40/01/21/819400121.db2.gz NMQQKMSXUAPVOO-KRWDZBQOSA-N 1 0 296.414 3.262 20 10 CGCDRO Oc1cc2ccccc2cc1CN(C1CC1)[C@@H]1CCC[NH2+]C1 ZINC001236242325 819401229 /nfs/dbraw/zinc/40/12/29/819401229.db2.gz VRSVHOBWSBUNBL-GOSISDBHSA-N 1 0 296.414 3.262 20 10 CGCDRO C[C@H]1[C@@H]([NH3+])CCCN1Cc1cccc(-c2ccccc2)c1O ZINC001236417632 819463328 /nfs/dbraw/zinc/46/33/28/819463328.db2.gz FDGUYZWUOPVGMX-KSSFIOAISA-N 1 0 296.414 3.371 20 10 CGCDRO CCC[N@H+](Cc1cc(OC)c(OC)cc1O)[C@@H](C)CC ZINC001236750468 819589880 /nfs/dbraw/zinc/58/98/80/819589880.db2.gz MXFKWTMPSMPFLF-LBPRGKRZSA-N 1 0 281.396 3.420 20 10 CGCDRO CCc1ccc(C[NH+]2CCC(F)(F)CC2)c(O)c1 ZINC001236784409 819595897 /nfs/dbraw/zinc/59/58/97/819595897.db2.gz WRKSGLOFGKZKLK-UHFFFAOYSA-N 1 0 255.308 3.186 20 10 CGCDRO CCc1ccc(C[N@@H+]2CCC[C@H]2C(C)(C)OC)c(O)c1 ZINC001236787205 819595995 /nfs/dbraw/zinc/59/59/95/819595995.db2.gz ALRYJKKZPZEDAP-INIZCTEOSA-N 1 0 277.408 3.344 20 10 CGCDRO CCc1ccc(C[NH+]2CCC(OC3CCC3)CC2)c(O)c1 ZINC001236784562 819596049 /nfs/dbraw/zinc/59/60/49/819596049.db2.gz WUHQSKAGOUNUEQ-UHFFFAOYSA-N 1 0 289.419 3.488 20 10 CGCDRO CCc1ccc(C[N@@H+]2CCC[C@H]2c2cnccn2)c(O)c1 ZINC001236794259 819596425 /nfs/dbraw/zinc/59/64/25/819596425.db2.gz KEXCIBFFQRISAN-INIZCTEOSA-N 1 0 283.375 3.082 20 10 CGCDRO CCc1ccc(C[N@@H+]2CC[C@@H](N3CCCCC3)C2)c(O)c1 ZINC001236792883 819597059 /nfs/dbraw/zinc/59/70/59/819597059.db2.gz SYTWYGKGRAZCNE-QGZVFWFLSA-N 1 0 288.435 3.015 20 10 CGCDRO COc1cc(O)c(C[NH+]2CCC(C)(F)CC2)c(Cl)c1 ZINC001236797049 819597576 /nfs/dbraw/zinc/59/75/76/819597576.db2.gz BCOMCUDZRSUVMU-UHFFFAOYSA-N 1 0 287.762 3.378 20 10 CGCDRO COc1cc(C)c(C[N@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)c(O)c1 ZINC001236809639 819603957 /nfs/dbraw/zinc/60/39/57/819603957.db2.gz YZYMARSXTRGNNQ-TXEJJXNPSA-N 1 0 297.345 3.186 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CCCC[C@@H](C)C2)c(O)c1 ZINC001236808713 819603988 /nfs/dbraw/zinc/60/39/88/819603988.db2.gz RMDJIHCFFPKMBK-GFCCVEGCSA-N 1 0 263.381 3.331 20 10 CGCDRO COc1cc(C)c(C[N@H+](CCCCCO)C(C)C)c(O)c1 ZINC001236816917 819605884 /nfs/dbraw/zinc/60/58/84/819605884.db2.gz YLWAWSHYWXAKFM-UHFFFAOYSA-N 1 0 295.423 3.082 20 10 CGCDRO CC1(C)C[N@H+](Cc2cc3ccccc3cc2O)CCO1 ZINC001236827937 819610579 /nfs/dbraw/zinc/61/05/79/819610579.db2.gz XDWOBTOBCBEIKM-UHFFFAOYSA-N 1 0 271.360 3.156 20 10 CGCDRO CC[NH+](CC)[C@@H]1CCN(Cc2cc3ccccc3cc2O)C1 ZINC001236833159 819613704 /nfs/dbraw/zinc/61/37/04/819613704.db2.gz OTEIOCNRLDBNJB-GOSISDBHSA-N 1 0 298.430 3.462 20 10 CGCDRO COCC[N@H+](Cc1cc2ccccc2cc1O)C(C)C ZINC001236836265 819615753 /nfs/dbraw/zinc/61/57/53/819615753.db2.gz BDIXYXLGXIPYEH-UHFFFAOYSA-N 1 0 273.376 3.402 20 10 CGCDRO CC[N@H+](CCN1CCCC1)Cc1cc2ccccc2cc1O ZINC001236841836 819618253 /nfs/dbraw/zinc/61/82/53/819618253.db2.gz PLWWKPQWCMFLMC-UHFFFAOYSA-N 1 0 298.430 3.463 20 10 CGCDRO Cc1cccc(O[C@@H]2CCC[N@H+](Cc3ccc(N)cc3)C2)n1 ZINC001236849355 819620595 /nfs/dbraw/zinc/62/05/95/819620595.db2.gz WCRNTWPQCAZPCX-QGZVFWFLSA-N 1 0 297.402 3.016 20 10 CGCDRO CCOc1ccc(C[NH+]2CC(c3ccccc3)C2)c(O)c1 ZINC001237042016 819647968 /nfs/dbraw/zinc/64/79/68/819647968.db2.gz CMUKFUBHYOBJNM-UHFFFAOYSA-N 1 0 283.371 3.390 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2CC[C@@]3(CCCO3)C2)c(O)c1 ZINC001237047044 819650201 /nfs/dbraw/zinc/65/02/01/819650201.db2.gz YXNNHUFXMVWHFV-KRWDZBQOSA-N 1 0 275.392 3.271 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2CC[C@](C)(O)[C@@H](C)C2)c(O)c1 ZINC001237046744 819650389 /nfs/dbraw/zinc/65/03/89/819650389.db2.gz WTDNFSZASYNVLD-GUYCJALGSA-N 1 0 277.408 3.108 20 10 CGCDRO COCC1CC[NH+](Cc2ccc(C(C)C)cc2O)CC1 ZINC001237047008 819650846 /nfs/dbraw/zinc/65/08/46/819650846.db2.gz YKPAFTFCJJBKRN-UHFFFAOYSA-N 1 0 277.408 3.374 20 10 CGCDRO CCOc1ccc(C[N@H+](C)Cc2cccnc2C)c(O)c1 ZINC001237046365 819650989 /nfs/dbraw/zinc/65/09/89/819650989.db2.gz MNZIQWCLLBONOA-UHFFFAOYSA-N 1 0 286.375 3.126 20 10 CGCDRO CO[C@@H]1CCC[N@H+](Cc2ccc(C(C)C)cc2O)C1 ZINC001237046162 819651068 /nfs/dbraw/zinc/65/10/68/819651068.db2.gz QVZVXCRNGDJLGY-OAHLLOKOSA-N 1 0 263.381 3.126 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2CCC[C@H](C)[C@H]2CO)c(O)c1 ZINC001237046187 819651265 /nfs/dbraw/zinc/65/12/65/819651265.db2.gz RASTYKPKKPKCDJ-XJKSGUPXSA-N 1 0 277.408 3.108 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2CCn3cccc3C2)c(O)c1 ZINC001237054215 819654237 /nfs/dbraw/zinc/65/42/37/819654237.db2.gz SSHLNBDZJHBFRI-UHFFFAOYSA-N 1 0 270.376 3.333 20 10 CGCDRO CC(C)c1ccc(C[NH+]2CC3(CSC3)C2)c(O)c1 ZINC001237055849 819654376 /nfs/dbraw/zinc/65/43/76/819654376.db2.gz QYQSWUZQCMERLH-UHFFFAOYSA-N 1 0 263.406 3.064 20 10 CGCDRO CC(C)O[C@@H]1CC[N@H+](Cc2c(O)ccc(F)c2Cl)C1 ZINC001237127549 819673078 /nfs/dbraw/zinc/67/30/78/819673078.db2.gz HBOWLXDJNHIDMH-SNVBAGLBSA-N 1 0 287.762 3.184 20 10 CGCDRO CCOC1CC[NH+](Cc2c(O)ccc(F)c2Cl)CC1 ZINC001237125969 819673432 /nfs/dbraw/zinc/67/34/32/819673432.db2.gz XATLTVIIGLIPAH-UHFFFAOYSA-N 1 0 287.762 3.186 20 10 CGCDRO Oc1ccc(F)c(Cl)c1C[N@@H+]1CCC[C@H]2C[C@H]21 ZINC001237127636 819673821 /nfs/dbraw/zinc/67/38/21/819673821.db2.gz DOQVXXALBRIOFJ-GZMMTYOYSA-N 1 0 255.720 3.169 20 10 CGCDRO Oc1cc(Cl)ccc1CN(C1CCC1)[C@H]1CCC[NH2+]C1 ZINC001237153735 819681100 /nfs/dbraw/zinc/68/11/00/819681100.db2.gz HBXYOXWOJDFNJY-HNNXBMFYSA-N 1 0 294.826 3.152 20 10 CGCDRO CCc1ccc(CN(C2CCC2)[C@@H]2CCC[NH2+]C2)c(O)c1 ZINC001237156633 819683498 /nfs/dbraw/zinc/68/34/98/819683498.db2.gz PPHLFIPQTFBJHN-QGZVFWFLSA-N 1 0 288.435 3.061 20 10 CGCDRO c1cc(N2CCCC2)ccc1C[N@@H+]1CCNC2=CCCC[C@@H]21 ZINC001237220959 819700346 /nfs/dbraw/zinc/70/03/46/819700346.db2.gz UOBSARZXCJUEDT-IBGZPJMESA-N 1 0 297.446 3.128 20 10 CGCDRO Cc1c(CN2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c2ccccc2n1C ZINC001237392628 819742652 /nfs/dbraw/zinc/74/26/52/819742652.db2.gz PDKMCJPCPZPZJQ-QAPCUYQASA-N 1 0 297.446 3.061 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCc2ccccc2C1 ZINC001237482587 819760085 /nfs/dbraw/zinc/76/00/85/819760085.db2.gz MMGFAKHEOHUUFA-UHFFFAOYSA-N 1 0 253.345 3.259 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1Cc2ccc(F)cc2C1 ZINC001237487508 819762189 /nfs/dbraw/zinc/76/21/89/819762189.db2.gz JLMNOSKXOVEMKQ-UHFFFAOYSA-N 1 0 257.308 3.356 20 10 CGCDRO COc1cc(C[NH+]2CCC3(CCC3)CC2)c(O)c(OC)c1 ZINC001237668266 819803035 /nfs/dbraw/zinc/80/30/35/819803035.db2.gz BLRULFPALAXMAQ-UHFFFAOYSA-N 1 0 291.391 3.176 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@](C)(O)[C@H](C)C2)c1O ZINC001237681776 819807018 /nfs/dbraw/zinc/80/70/18/819807018.db2.gz RKEQFRRACNUBBP-WBMJQRKESA-N 1 0 297.826 3.337 20 10 CGCDRO Cc1cc(F)cc(CN2CCCC(F)(F)[C@H](F)C2)c1O ZINC001238061269 819920093 /nfs/dbraw/zinc/92/00/93/819920093.db2.gz LBJCYJKNFOVNAJ-GFCCVEGCSA-N 1 0 291.288 3.409 20 10 CGCDRO Cc1cc(F)cc(C[N@H+]2CCCC[C@H](C)C2)c1O ZINC001238057798 819920144 /nfs/dbraw/zinc/92/01/44/819920144.db2.gz NNZAVJGRZSCLNU-NSHDSACASA-N 1 0 251.345 3.462 20 10 CGCDRO Cc1cc(F)cc(C[N@H+]2CCC[C@@H](C)[C@H]2C)c1O ZINC001238061177 819920400 /nfs/dbraw/zinc/92/04/00/819920400.db2.gz FCWAHPJRJRMVNE-ZYHUDNBSSA-N 1 0 251.345 3.460 20 10 CGCDRO Cc1ccc(O)cc1C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC001238103430 819934471 /nfs/dbraw/zinc/93/44/71/819934471.db2.gz NVGWGWJSBDENMN-UHFFFAOYSA-N 1 0 284.403 3.399 20 10 CGCDRO C[N@H+]1CC=C(c2ccc(N3CCCCC3)cc2)CC1 ZINC001241330634 821738137 /nfs/dbraw/zinc/73/81/37/821738137.db2.gz WKUDXTIVGGSEKS-UHFFFAOYSA-N 1 0 256.393 3.396 20 10 CGCDRO CCO[C@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3C)C1 ZINC001350154562 936981208 /nfs/dbraw/zinc/98/12/08/936981208.db2.gz LNSQXXBTDINUBG-XDQVBPFNSA-N 1 0 275.392 3.406 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC001351350665 937015155 /nfs/dbraw/zinc/01/51/55/937015155.db2.gz FNJMRWUAAJBRGA-AOLWHUPESA-N 1 0 287.403 3.406 20 10 CGCDRO Cc1csc([C@H](C)[NH2+]Cc2c(C)cccc2O)n1 ZINC001355244668 937131939 /nfs/dbraw/zinc/13/19/39/937131939.db2.gz SYUDAPHNEPKSAK-NSHDSACASA-N 1 0 262.378 3.316 20 10 CGCDRO CCOCCC[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC000019963055 928046615 /nfs/dbraw/zinc/04/66/15/928046615.db2.gz LOCAPTMEDHAVMB-OLZOCXBDSA-N 1 0 263.381 3.265 20 10 CGCDRO CCOC[C@H]([NH2+]Cc1ccc(Cl)cc1O)C(C)C ZINC001560802493 937236724 /nfs/dbraw/zinc/23/67/24/937236724.db2.gz WMKASUFSUVBLNZ-ZDUSSCGKSA-N 1 0 271.788 3.196 20 10 CGCDRO COc1cccc(C[NH2+]Cc2ccc(C)nc2Cl)c1O ZINC000883292623 928430401 /nfs/dbraw/zinc/43/04/01/928430401.db2.gz UJHWINSEZNWRSY-UHFFFAOYSA-N 1 0 292.766 3.047 20 10 CGCDRO Cc1cccc(CNc2ncccc2C[NH+]2CCCC2)c1O ZINC001160770634 931984300 /nfs/dbraw/zinc/98/43/00/931984300.db2.gz ATZKKTWTUDKYHX-UHFFFAOYSA-N 1 0 297.402 3.304 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H]2CCC[C@H](F)C2)c1O ZINC001329497977 932003980 /nfs/dbraw/zinc/00/39/80/932003980.db2.gz BNZWMDNFVSXWFS-QWHCGFSZSA-N 1 0 267.344 3.161 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)C[C@@H]2CCOC2)cc1 ZINC001461331784 937576131 /nfs/dbraw/zinc/57/61/31/937576131.db2.gz JCDHJHSMZQRRRC-WBVHZDCISA-N 1 0 290.451 3.438 20 10 CGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CCO[C@H](C)[C@H]2C)c1 ZINC001461959988 937608937 /nfs/dbraw/zinc/60/89/37/937608937.db2.gz LYIJTYDPVMULHW-CHWSQXEVSA-N 1 0 263.381 3.125 20 10 CGCDRO CCC[C@@H]1CN(C/C=C/c2ccc(N(C)C)cc2)CCO1 ZINC001461963814 937609478 /nfs/dbraw/zinc/60/94/78/937609478.db2.gz WVAJAKNANPCBHH-SUQGKYDKSA-N 1 0 288.435 3.267 20 10 CGCDRO Oc1cc(Cl)ccc1C[NH2+][C@H]1CCCN2CCCC[C@@H]12 ZINC001462387434 937637236 /nfs/dbraw/zinc/63/72/36/937637236.db2.gz PPQVIXQHILDKAE-GJZGRUSLSA-N 1 0 294.826 3.152 20 10 CGCDRO Oc1cc(Cl)ccc1C[NH2+][C@@H]1CCCN2CCCC[C@@H]12 ZINC001462387432 937637273 /nfs/dbraw/zinc/63/72/73/937637273.db2.gz PPQVIXQHILDKAE-CABCVRRESA-N 1 0 294.826 3.152 20 10 CGCDRO COC[C@@H](C[NH2+][C@H](C)c1ccc(N(C)C)cc1)C(C)C ZINC001307695820 932988680 /nfs/dbraw/zinc/98/86/80/932988680.db2.gz QORYKIPEKASRJD-GDBMZVCRSA-N 1 0 278.440 3.322 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H]2C[C@H]2C2CCC2)cc1F ZINC001308444376 933111711 /nfs/dbraw/zinc/11/17/11/933111711.db2.gz YENAFYXSGPJGCA-DZGCQCFKSA-N 1 0 262.372 3.170 20 10 CGCDRO CCCOc1ccc(C[NH2+]C[C@H](CO)CC2CC2)cc1C ZINC001308464131 933114643 /nfs/dbraw/zinc/11/46/43/933114643.db2.gz KICPTEUPICQBIB-QGZVFWFLSA-N 1 0 291.435 3.282 20 10 CGCDRO Cc1cc(O)c(CN(C)C[C@@H]2CCC[N@H+](C)C2)c(Cl)c1 ZINC001308585637 933138257 /nfs/dbraw/zinc/13/82/57/933138257.db2.gz PNASRCOMXDPTRG-CYBMUJFWSA-N 1 0 296.842 3.128 20 10 CGCDRO CC[C@@H]1COC(C)(C)C[N@@H+]1Cc1ccc(C)cc1O ZINC001308852593 933190885 /nfs/dbraw/zinc/19/08/85/933190885.db2.gz QKCYDJRVHPCKTA-CQSZACIVSA-N 1 0 263.381 3.090 20 10 CGCDRO COc1cc(C[N@H+](C)CCC(F)(F)F)c(O)cc1C ZINC001319687186 933915625 /nfs/dbraw/zinc/91/56/25/933915625.db2.gz BWYNGDDZNRUZHL-UHFFFAOYSA-N 1 0 277.286 3.093 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCCC[C@H]1N(C)C)c1ccccc1O ZINC001320410068 934045787 /nfs/dbraw/zinc/04/57/87/934045787.db2.gz IDECKYQIRWWZMR-ARFHVFGLSA-N 1 0 276.424 3.306 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C[C@@H](O)c1ccco1 ZINC001323829291 934428744 /nfs/dbraw/zinc/42/87/44/934428744.db2.gz GXMKRLGZWXWZBH-YRGRVCCFSA-N 1 0 287.359 3.165 20 10 CGCDRO CO[C@@H]1CCC[C@H]1[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC001325313204 934903997 /nfs/dbraw/zinc/90/39/97/934903997.db2.gz AQRIGUXQLCTADE-GUIRCDHDSA-N 1 0 275.392 3.406 20 10 CGCDRO CCO[C@H]1C[C@@H]([NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3C)C1 ZINC001327375350 935056542 /nfs/dbraw/zinc/05/65/42/935056542.db2.gz LNSQXXBTDINUBG-MQYQWHSLSA-N 1 0 275.392 3.406 20 10 CGCDRO CO[C@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)CC(C)C ZINC001327487999 935063164 /nfs/dbraw/zinc/06/31/64/935063164.db2.gz VWNSORFSDMWOQF-SFHVURJKSA-N 1 0 290.451 3.438 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)c1 ZINC001328161526 935121191 /nfs/dbraw/zinc/12/11/91/935121191.db2.gz UPTHXPFNLXBRPP-KWCYVHTRSA-N 1 0 297.345 3.314 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)c1O ZINC001328252647 935127246 /nfs/dbraw/zinc/12/72/46/935127246.db2.gz ISWSFPCHNOQECY-HZSPNIEDSA-N 1 0 281.346 3.478 20 10 CGCDRO COc1ccc2ccc(O)c(C[N@H+](C)CCCF)c2c1 ZINC001331081495 935348834 /nfs/dbraw/zinc/34/88/34/935348834.db2.gz VZQHTNDYJCLDID-UHFFFAOYSA-N 1 0 277.339 3.345 20 10 CGCDRO CC[N@H+](Cc1cc(C)cc(OC)c1O)C(C)(C)C ZINC001331549295 935392144 /nfs/dbraw/zinc/39/21/44/935392144.db2.gz RMNKEYLXGAVMID-UHFFFAOYSA-N 1 0 251.370 3.330 20 10 CGCDRO C[C@H]([NH2+]CCCC(F)F)c1ccc(N(C)C)cc1 ZINC001331996871 935432231 /nfs/dbraw/zinc/43/22/31/935432231.db2.gz NVRFJVJOIOKZNO-NSHDSACASA-N 1 0 256.340 3.449 20 10 CGCDRO C[C@@]1(C[NH2+]Cc2ccc(N3CCCC3)cc2)CCCCO1 ZINC001334330694 936096982 /nfs/dbraw/zinc/09/69/82/936096982.db2.gz QAKTWCUHEZSDMN-SFHVURJKSA-N 1 0 288.435 3.336 20 10 CGCDRO Nc1ccc(C[N@@H+]2CCC[C@@H]2Cc2ccccc2)cc1 ZINC001334775436 936112970 /nfs/dbraw/zinc/11/29/70/936112970.db2.gz XWJYMOTUXJJBLH-GOSISDBHSA-N 1 0 266.388 3.476 20 10 CGCDRO CS[C@@H]1CC[C@@H]([N@H+](C)Cc2ccccc2O)C1 ZINC001337074196 936235269 /nfs/dbraw/zinc/23/52/69/936235269.db2.gz ZAAOIWDOGHTUBR-CHWSQXEVSA-N 1 0 251.395 3.108 20 10 CGCDRO Cc1ccccc1[C@H](CO)[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC001473799523 937822072 /nfs/dbraw/zinc/82/20/72/937822072.db2.gz DAUZAJKFKVIPHL-IBGZPJMESA-N 1 0 298.430 3.226 20 10 CGCDRO CCCN(CCC)c1ccc(C[NH2+][C@@H](CO)C(C)C)cc1 ZINC001474305618 937849969 /nfs/dbraw/zinc/84/99/69/937849969.db2.gz OVAKRMRUTDBCHX-SFHVURJKSA-N 1 0 292.467 3.420 20 10 CGCDRO CN(C)c1cc(F)c(C[N@@H+]2CCCC2(C)C)cc1F ZINC001474354685 937853813 /nfs/dbraw/zinc/85/38/13/937853813.db2.gz CGCACGRKQYCFHZ-UHFFFAOYSA-N 1 0 268.351 3.405 20 10 CGCDRO Cc1cc(O)c(CN2CCOCC23CCCC3)cc1Cl ZINC001474373488 937855378 /nfs/dbraw/zinc/85/53/78/937855378.db2.gz LVFVJFWFJLFRDD-UHFFFAOYSA-N 1 0 295.810 3.499 20 10 CGCDRO Oc1cc(Cl)ccc1C[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC001474390349 937856507 /nfs/dbraw/zinc/85/65/07/937856507.db2.gz CKNQZMWSXNGCQI-CQSZACIVSA-N 1 0 295.810 3.294 20 10 CGCDRO CCOCC(C)(C)[NH2+]Cc1cc(C(C)C)ccc1O ZINC001474553412 937866592 /nfs/dbraw/zinc/86/65/92/937866592.db2.gz LZPNSQBMZDGSQQ-UHFFFAOYSA-N 1 0 265.397 3.420 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C(C)(C)CN2CCCC2)cc1Cl ZINC001474585222 937868967 /nfs/dbraw/zinc/86/89/67/937868967.db2.gz MSIKNHJDTGVDHB-UHFFFAOYSA-N 1 0 296.842 3.318 20 10 CGCDRO COc1ccc(C[NH2+]CC2CCCC2)cc1Cn1cccn1 ZINC001560264355 938250159 /nfs/dbraw/zinc/25/01/59/938250159.db2.gz XJSDNHJQAMNDSZ-UHFFFAOYSA-N 1 0 299.418 3.220 20 10 CGCDRO CCCC1CC[NH+](Cc2ccc(OC)c(OC)c2O)CC1 ZINC001560662481 938268486 /nfs/dbraw/zinc/26/84/86/938268486.db2.gz ADOLSUZZJBYMEH-UHFFFAOYSA-N 1 0 293.407 3.422 20 10 CGCDRO [O-]c1cc(F)c(F)cc1C[N@@H+]1CC[C@H]1Cc1ccccc1 ZINC001560664220 938268570 /nfs/dbraw/zinc/26/85/70/938268570.db2.gz JBDCQOTZWJPEHM-AWEZNQCLSA-N 1 0 289.325 3.487 20 10 CGCDRO CCC[C@H]1CCC[N@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC001560661536 938268745 /nfs/dbraw/zinc/26/87/45/938268745.db2.gz DUGHSRIHSMKVQB-ZDUSSCGKSA-N 1 0 293.407 3.422 20 10 CGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@H]1C[C@@H](OC)C12CCC2 ZINC001560809086 938277033 /nfs/dbraw/zinc/27/70/33/938277033.db2.gz YDSYXLGVXXUSFN-DLBZAZTESA-N 1 0 288.435 3.319 20 10 CGCDRO CC(C)SCC[NH2+]Cc1ccc(Cl)cc1O ZINC001560818619 938277434 /nfs/dbraw/zinc/27/74/34/938277434.db2.gz PNXAKPYPAFXMLA-UHFFFAOYSA-N 1 0 259.802 3.277 20 10 CGCDRO CCc1cccc(C[N@H+](C)[C@@H]2C[C@@H](OC)C23CCC3)c1O ZINC001560835035 938278666 /nfs/dbraw/zinc/27/86/66/938278666.db2.gz YHEYDQVSRBWGRX-HZPDHXFCSA-N 1 0 289.419 3.344 20 10 CGCDRO CC[N@@H+](Cc1cc(C(C)C)ccc1O)C[C@H](C)OC ZINC001560846075 938279229 /nfs/dbraw/zinc/27/92/29/938279229.db2.gz YQFJXBRFIDXLAV-ZDUSSCGKSA-N 1 0 265.397 3.372 20 10 CGCDRO CCCCN(C)C[C@H](C)[NH2+]Cc1cccc(CC)c1O ZINC001560865193 938280567 /nfs/dbraw/zinc/28/05/67/938280567.db2.gz SHKNZXLNZISFDQ-AWEZNQCLSA-N 1 0 278.440 3.165 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CCC[C@H](C3CC3)C2)c(O)c1 ZINC001560867817 938280664 /nfs/dbraw/zinc/28/06/64/938280664.db2.gz OPUVQPSBNQLTFT-AWEZNQCLSA-N 1 0 275.392 3.331 20 10 CGCDRO CNc1ccccc1C[NH2+]Cc1cc(Cl)ccc1O ZINC001560913907 938283465 /nfs/dbraw/zinc/28/34/65/938283465.db2.gz UIIJSVBDMIASJU-UHFFFAOYSA-N 1 0 276.767 3.377 20 10 CGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@H]3C[C@@H]4CCC[C@@H]43)C2)cc1 ZINC001560928649 938284324 /nfs/dbraw/zinc/28/43/24/938284324.db2.gz YVDDXWYOYPPBLP-DACLVMHWSA-N 1 0 286.419 3.052 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+]CCc2ccoc2)c1 ZINC001560933566 938285114 /nfs/dbraw/zinc/28/51/14/938285114.db2.gz SXZLBMJBUQREEK-UHFFFAOYSA-N 1 0 259.349 3.441 20 10 CGCDRO Nc1ccc(C[N@@H+]2CC3(CCC3)[C@H]2C2CCOCC2)cc1 ZINC001580443657 962728154 /nfs/dbraw/zinc/72/81/54/962728154.db2.gz WECDLGJPYOWDIS-QGZVFWFLSA-N 1 0 286.419 3.050 20 10 CGCDRO COc1cccc(C[NH+]2CCC(C(F)(F)F)CC2)c1O ZINC000179951508 346254112 /nfs/dbraw/zinc/25/41/12/346254112.db2.gz FKUPSFLQBHCVOG-UHFFFAOYSA-N 1 0 289.297 3.175 20 10 CGCDRO C[C@@H](C[N@@H+]1CCc2cccc(O)c2C1)OCc1ccccc1 ZINC000090769596 180037498 /nfs/dbraw/zinc/03/74/98/180037498.db2.gz IFIQZMQQYONDMM-HNNXBMFYSA-N 1 0 297.398 3.356 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCc2cscn2)c(O)c1 ZINC000104444949 186004899 /nfs/dbraw/zinc/00/48/99/186004899.db2.gz LWDVKVVNTUIXIK-LLVKDONJSA-N 1 0 262.378 3.050 20 10 CGCDRO CC[NH2+][C@H](CC)c1cc(Br)ccc1O ZINC000019433529 368753151 /nfs/dbraw/zinc/75/31/51/368753151.db2.gz WVCXEGSQPQDSSG-SNVBAGLBSA-N 1 0 258.159 3.215 20 10 CGCDRO Cc1cccc([C@@H](O)C[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000090520247 370062312 /nfs/dbraw/zinc/06/23/12/370062312.db2.gz ILNYMBHBWDXANN-BEFAXECRSA-N 1 0 298.430 3.445 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]C(C)(C)c2nccs2)c1 ZINC000116381334 370558514 /nfs/dbraw/zinc/55/85/14/370558514.db2.gz YPNDGAUTOAMEBG-UHFFFAOYSA-N 1 0 292.404 3.272 20 10 CGCDRO CCC[N@H+](CCCCOC)Cc1ccccc1O ZINC000117877105 370600937 /nfs/dbraw/zinc/60/09/37/370600937.db2.gz HVOXRUBACHDWEM-UHFFFAOYSA-N 1 0 251.370 3.031 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCOC[C@@H]2C)c1 ZINC000286941355 371577991 /nfs/dbraw/zinc/57/79/91/371577991.db2.gz BDWHJAPDCUZVDU-MELADBBJSA-N 1 0 263.381 3.024 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCSC2)c(O)c1 ZINC000287239995 371626658 /nfs/dbraw/zinc/62/66/58/371626658.db2.gz YTZODAMAOVQJPJ-OLZOCXBDSA-N 1 0 265.422 3.494 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H]1CCOC[C@H]1C)c1ccccc1O ZINC000287621529 371683070 /nfs/dbraw/zinc/68/30/70/371683070.db2.gz SZGMCFUYZVCBCH-IPYPFGDCSA-N 1 0 263.381 3.106 20 10 CGCDRO C[C@@H](O)C[C@H]1CCCCC[N@@H+]1Cc1cc(F)ccc1O ZINC000289268542 371752144 /nfs/dbraw/zinc/75/21/44/371752144.db2.gz GCNWZQGSXMOSSX-IUODEOHRSA-N 1 0 281.371 3.047 20 10 CGCDRO CCOCC[N@H+](C)Cc1c(O)ccc2ccccc21 ZINC000156089011 371962075 /nfs/dbraw/zinc/96/20/75/371962075.db2.gz XAYJSDVNJMKWTB-UHFFFAOYSA-N 1 0 259.349 3.014 20 10 CGCDRO CCOC1(C[NH2+][C@@H](C)c2cc(OC)ccc2O)CCCC1 ZINC000293590332 372418799 /nfs/dbraw/zinc/41/87/99/372418799.db2.gz CSHIHJAUZXVWDK-ZDUSSCGKSA-N 1 0 293.407 3.401 20 10 CGCDRO Cc1cc(C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)on1 ZINC000293639501 372433227 /nfs/dbraw/zinc/43/32/27/372433227.db2.gz HXFMVYOPHYRWQG-LBPRGKRZSA-N 1 0 260.337 3.156 20 10 CGCDRO COCCCCC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000293812349 372490864 /nfs/dbraw/zinc/49/08/64/372490864.db2.gz CQEGAKYUELMCFE-UHFFFAOYSA-N 1 0 275.751 3.091 20 10 CGCDRO CCC1(CO)CC[NH+](Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000293934387 372529899 /nfs/dbraw/zinc/52/98/99/372529899.db2.gz ZBBAVEMUXGUJKR-UHFFFAOYSA-N 1 0 290.451 3.046 20 10 CGCDRO CCCCOCCC[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000168732679 372616605 /nfs/dbraw/zinc/61/66/05/372616605.db2.gz GXJMKRLGBOLQLA-ZDUSSCGKSA-N 1 0 281.396 3.258 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](CO)c2ccccc2)c(O)c1 ZINC000294700964 372667536 /nfs/dbraw/zinc/66/75/36/372667536.db2.gz JANMBMYRSXXIOD-WBVHZDCISA-N 1 0 299.414 3.436 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2CCc3cccc(O)c32)cc1 ZINC000296110927 373025527 /nfs/dbraw/zinc/02/55/27/373025527.db2.gz USXZRUGUHYQEQA-HNNXBMFYSA-N 1 0 269.344 3.178 20 10 CGCDRO CC(C)COCCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296144049 373036579 /nfs/dbraw/zinc/03/65/79/373036579.db2.gz WKSIEUNDIKSHSI-CQSZACIVSA-N 1 0 263.381 3.032 20 10 CGCDRO Oc1ccccc1[C@H](CCc1ccccc1)[NH2+][C@H]1C[C@@H](O)C1 ZINC000296098831 373020976 /nfs/dbraw/zinc/02/09/76/373020976.db2.gz YPNHIJVAHURJQI-JZXOWHBKSA-N 1 0 297.398 3.179 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](C)CC(C)(C)O)c1ccc(C)cc1O ZINC000296345080 373098055 /nfs/dbraw/zinc/09/80/55/373098055.db2.gz HZTBPNNHNRJQMZ-GXTWGEPZSA-N 1 0 265.397 3.291 20 10 CGCDRO CC[C@@H]([NH2+]Cc1nnc(C(C)C)[nH]1)c1ccc(C)cc1O ZINC000296450787 373138065 /nfs/dbraw/zinc/13/80/65/373138065.db2.gz MTONZLBTORKGMO-CYBMUJFWSA-N 1 0 288.395 3.183 20 10 CGCDRO CC[C@H]([NH2+]CCC(C)(C)CO)c1ccc(N(C)C)cc1 ZINC000296556096 373175876 /nfs/dbraw/zinc/17/58/76/373175876.db2.gz RVRCYQKPUZTWIR-INIZCTEOSA-N 1 0 278.440 3.202 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCO[C@@H](c2cccnc2)C1)c1ccccc1O ZINC000296590514 373186591 /nfs/dbraw/zinc/18/65/91/373186591.db2.gz UYOQYIUXPSYIPF-JCKWVBRZSA-N 1 0 298.386 3.358 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]CCn1cnc3ccccc31)CC2 ZINC000297595192 373276735 /nfs/dbraw/zinc/27/67/35/373276735.db2.gz HUUKGTSMXDCINY-HNNXBMFYSA-N 1 0 293.370 3.019 20 10 CGCDRO Cc1cc(Cl)cc(C[N@H+](C)C[C@@H]2CCCOC2)c1O ZINC000180070195 373961353 /nfs/dbraw/zinc/96/13/53/373961353.db2.gz XWCVZLXQYYSVIY-LBPRGKRZSA-N 1 0 283.799 3.212 20 10 CGCDRO CC[N@H+](CCc1nccs1)Cc1cccc(C)c1O ZINC000180539277 374020246 /nfs/dbraw/zinc/02/02/46/374020246.db2.gz RSBPFLCKYOPPGH-UHFFFAOYSA-N 1 0 276.405 3.222 20 10 CGCDRO CC[C@@](C)([NH2+]Cc1cc(F)ccc1O)c1nccs1 ZINC000180772423 374044567 /nfs/dbraw/zinc/04/45/67/374044567.db2.gz XXFJOJFNLDIXTG-CQSZACIVSA-N 1 0 280.368 3.403 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H](O)c1ccccc1C)c1ccccc1O ZINC000183349456 374403193 /nfs/dbraw/zinc/40/31/93/374403193.db2.gz IZEYBATZDWSWBG-AEFFLSMTSA-N 1 0 285.387 3.475 20 10 CGCDRO CO[C@@H](C)C[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000188127857 375163372 /nfs/dbraw/zinc/16/33/72/375163372.db2.gz VPMWKYAMRLOZNV-LSDHHAIUSA-N 1 0 276.424 3.362 20 10 CGCDRO C[C@@H]([NH2+]CCC[NH+](C)C)c1cc(Cl)c(Cl)cc1[O-] ZINC000192593151 375767703 /nfs/dbraw/zinc/76/77/03/375767703.db2.gz YXOKSTZDQNYKAP-SECBINFHSA-N 1 0 291.222 3.301 20 10 CGCDRO COc1ccc(O)c(C[NH2+]CC[C@H]2CC=CCC2)c1 ZINC000529667314 375933460 /nfs/dbraw/zinc/93/34/60/375933460.db2.gz YPHMDDTYHQGRMP-ZDUSSCGKSA-N 1 0 261.365 3.237 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000245694574 376882528 /nfs/dbraw/zinc/88/25/28/376882528.db2.gz BZOSRLXSFJAAGB-XHDPSFHLSA-N 1 0 281.783 3.047 20 10 CGCDRO CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000249758908 377530398 /nfs/dbraw/zinc/53/03/98/377530398.db2.gz FTSQHPQLGOURTO-SDDRHHMPSA-N 1 0 251.370 3.486 20 10 CGCDRO CCOc1cccc(C[NH2+]CC2(CC)CCOCC2)c1O ZINC000266645617 378024563 /nfs/dbraw/zinc/02/45/63/378024563.db2.gz WBDFIUYNMYOIFR-UHFFFAOYSA-N 1 0 293.407 3.087 20 10 CGCDRO C[C@@H](O)CC[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000268874819 378138493 /nfs/dbraw/zinc/13/84/93/378138493.db2.gz JWKOREINILGEHB-HZPDHXFCSA-N 1 0 290.451 3.489 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2cccc(CO)c2)cc1 ZINC000268873411 378138501 /nfs/dbraw/zinc/13/85/01/378138501.db2.gz KWPNZHQPGVUOPV-OAHLLOKOSA-N 1 0 298.430 3.486 20 10 CGCDRO C[C@H]([NH2+]CC1(CCO)CCCC1)c1ccc(N(C)C)cc1 ZINC000269000791 378171614 /nfs/dbraw/zinc/17/16/14/378171614.db2.gz UTIVSDKHQSBZRW-HNNXBMFYSA-N 1 0 290.451 3.346 20 10 CGCDRO COc1cccc(C[N@H+](C)Cc2ccccc2O)c1 ZINC000269641911 378247470 /nfs/dbraw/zinc/24/74/70/378247470.db2.gz OFCFWISZHMWKQU-UHFFFAOYSA-N 1 0 257.333 3.033 20 10 CGCDRO COC1CCC([N@H+](C)Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000271193398 378479978 /nfs/dbraw/zinc/47/99/78/378479978.db2.gz QJHWLNFNXHHRMI-UHFFFAOYSA-N 1 0 294.414 3.281 20 10 CGCDRO C[C@H]([NH2+]CCOc1ccc(F)cc1)c1ccccc1O ZINC000271694797 378500552 /nfs/dbraw/zinc/50/05/52/378500552.db2.gz SEBUQIMNAAILMY-LBPRGKRZSA-N 1 0 275.323 3.261 20 10 CGCDRO CC(C)C[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2O)CCO1 ZINC000272698273 378690137 /nfs/dbraw/zinc/69/01/37/378690137.db2.gz YFLSTLULDNSFSZ-GJZGRUSLSA-N 1 0 281.371 3.215 20 10 CGCDRO COc1cccc(C2([NH2+]Cc3cc(F)ccc3O)CC2)c1 ZINC000272492384 378649469 /nfs/dbraw/zinc/64/94/69/378649469.db2.gz UOOLOYREQOFXBN-UHFFFAOYSA-N 1 0 287.334 3.319 20 10 CGCDRO Cc1nn(C)c(C)c1C[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000273366585 378741636 /nfs/dbraw/zinc/74/16/36/378741636.db2.gz BLJRLOZAZLJLKA-GFCCVEGCSA-N 1 0 287.407 3.210 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@H](C)C2)c(O)c1C ZINC000273355720 378742176 /nfs/dbraw/zinc/74/21/76/378742176.db2.gz CMQFZRPXJKPZFR-KWCYVHTRSA-N 1 0 263.381 3.227 20 10 CGCDRO C[C@@H](Cn1cccn1)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000273355800 378742341 /nfs/dbraw/zinc/74/23/41/378742341.db2.gz CQBPJTFGZKEFQW-KBPBESRZSA-N 1 0 299.418 3.207 20 10 CGCDRO C[N@H+](CCc1ccccn1)Cc1c(O)cccc1Cl ZINC000273381452 378744202 /nfs/dbraw/zinc/74/42/02/378744202.db2.gz HUKRFYKAGQJMLK-UHFFFAOYSA-N 1 0 276.767 3.115 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(N(C)C)nc2)c1 ZINC000273438501 378745126 /nfs/dbraw/zinc/74/51/26/378745126.db2.gz XUDHBPJYNRKDDQ-CYBMUJFWSA-N 1 0 285.391 3.012 20 10 CGCDRO COc1cc(C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)ccn1 ZINC000273419030 378746610 /nfs/dbraw/zinc/74/66/10/378746610.db2.gz ROYJQGGUCKIWEB-ZDUSSCGKSA-N 1 0 286.375 3.263 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](CO)c2ccccc2)c(O)c1C ZINC000273570611 378754178 /nfs/dbraw/zinc/75/41/78/378754178.db2.gz KNAGGRLDEJGHNS-RDJZCZTQSA-N 1 0 299.414 3.436 20 10 CGCDRO C[C@@H]([NH2+][C@H](C)c1cc2c(cc1O)CCCC2)c1cnn(C)c1 ZINC000273583468 378754745 /nfs/dbraw/zinc/75/47/45/378754745.db2.gz NDLFUCAWXYLATF-CHWSQXEVSA-N 1 0 299.418 3.416 20 10 CGCDRO CO[C@@H](C[NH2+][C@@H](C)c1ccc(C)c(C)c1O)C(C)C ZINC000273566848 378754883 /nfs/dbraw/zinc/75/48/83/378754883.db2.gz JTPWSUZBCCPOHO-ZFWWWQNUSA-N 1 0 265.397 3.331 20 10 CGCDRO CC(C)[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2O)CCO1 ZINC000272815086 378708341 /nfs/dbraw/zinc/70/83/41/378708341.db2.gz DXGAKDMWEHAPSF-WOSRLPQWSA-N 1 0 263.381 3.246 20 10 CGCDRO Cc1ccc([C@H](O)C[NH2+][C@@H](C)c2cc(Cl)ccc2O)o1 ZINC000273592905 378756466 /nfs/dbraw/zinc/75/64/66/378756466.db2.gz PSJUTNCPQUUIKW-IINYFYTJSA-N 1 0 295.766 3.331 20 10 CGCDRO CO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1cc(F)ccc1O ZINC000273608467 378756690 /nfs/dbraw/zinc/75/66/90/378756690.db2.gz UXAXPXPQDIYTOB-WDBKCZKBSA-N 1 0 267.344 3.140 20 10 CGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CCF)c1O ZINC000281213253 379823587 /nfs/dbraw/zinc/82/35/87/379823587.db2.gz ZBLQVCIRLAIIMN-QMMMGPOBSA-N 1 0 276.149 3.083 20 10 CGCDRO CCOCc1cc(C[NH2+][C@@H]2CSC2(C)C)ccc1OC ZINC000282609540 379953855 /nfs/dbraw/zinc/95/38/55/379953855.db2.gz DRCQURXVSYEJLH-OAHLLOKOSA-N 1 0 295.448 3.215 20 10 CGCDRO Cc1cc(Cl)nc(C[NH2+]Cc2cccc(C)c2O)c1 ZINC000282622791 379957045 /nfs/dbraw/zinc/95/70/45/379957045.db2.gz YAHWIWUPIVVFDD-UHFFFAOYSA-N 1 0 276.767 3.347 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2cccc(CO)c2)c(O)c1 ZINC000284201516 380136902 /nfs/dbraw/zinc/13/69/02/380136902.db2.gz SDLYGSAQNYPZBT-AWEZNQCLSA-N 1 0 285.387 3.352 20 10 CGCDRO C[C@H]([NH2+]CCC1(O)CCC1)c1cc2c(cc1O)CCCC2 ZINC000284380339 380139538 /nfs/dbraw/zinc/13/95/38/380139538.db2.gz OKIMPNAOFUNXEW-ZDUSSCGKSA-N 1 0 289.419 3.227 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2CCCOC2)c(O)c1 ZINC000285379188 380148024 /nfs/dbraw/zinc/14/80/24/380148024.db2.gz WGJBNKZVKNOGGE-KGLIPLIRSA-N 1 0 263.381 3.086 20 10 CGCDRO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1cccc(C)c1O ZINC000362048917 381882661 /nfs/dbraw/zinc/88/26/61/381882661.db2.gz XXKMBXCNGFJUJY-MRXNPFEDSA-N 1 0 285.391 3.080 20 10 CGCDRO Oc1ccccc1C[N@@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000072952725 285397618 /nfs/dbraw/zinc/39/76/18/285397618.db2.gz WBVQIYFHVYVXIU-MRXNPFEDSA-N 1 0 287.359 3.166 20 10 CGCDRO Oc1cccc2c1CC[C@H]2[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297712818 285395935 /nfs/dbraw/zinc/39/59/35/285395935.db2.gz MVTGIDDHFGWCMP-CABCVRRESA-N 1 0 281.355 3.362 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]CCc1ccccc1)CC2 ZINC000296214481 285396838 /nfs/dbraw/zinc/39/68/38/285396838.db2.gz ZMFLNBUPIJLBFZ-HNNXBMFYSA-N 1 0 253.345 3.212 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)CC(C)(C)O)c1cc2c(cc1O)CCCC2 ZINC000296343166 533495874 /nfs/dbraw/zinc/49/58/74/533495874.db2.gz HWQKFELIPMJFLN-QWHCGFSZSA-N 1 0 291.435 3.471 20 10 CGCDRO COc1cccc(C[NH2+]Cc2cc(C)sc2C)c1O ZINC000742372977 572569160 /nfs/dbraw/zinc/56/91/60/572569160.db2.gz AJUHDXWLLTUGGS-UHFFFAOYSA-N 1 0 277.389 3.369 20 10 CGCDRO Cc1ccc(CC[C@H](C)[NH2+]Cc2ccccc2O)o1 ZINC000742380921 572572901 /nfs/dbraw/zinc/57/29/01/572572901.db2.gz SHZNNJULJUZCQB-LBPRGKRZSA-N 1 0 259.349 3.405 20 10 CGCDRO CSC[C@H]1CCC[N@@H+]1Cc1cc(C)ccc1O ZINC000093761429 392239307 /nfs/dbraw/zinc/23/93/07/392239307.db2.gz YFAPUWGWJSITBO-CYBMUJFWSA-N 1 0 251.395 3.028 20 10 CGCDRO COc1ccc(CC[N@H+](C)Cc2ccccc2O)cc1 ZINC000109770167 392372798 /nfs/dbraw/zinc/37/27/98/392372798.db2.gz QGCLQDPJTUXJMW-UHFFFAOYSA-N 1 0 271.360 3.075 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccnc(OC)c2)cc1 ZINC000131690504 392459250 /nfs/dbraw/zinc/45/92/50/392459250.db2.gz VSSXTEOCLSXOIW-AWEZNQCLSA-N 1 0 299.418 3.397 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)c1cc(Cl)ccc1O)[C@@H](O)C(F)F ZINC000296386479 392558642 /nfs/dbraw/zinc/55/86/42/392558642.db2.gz JWSTYOKQIJHBNE-INNHCVQGSA-N 1 0 293.741 3.101 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@]2(C)CCO[C@H]2C2CC2)cc1C ZINC000372069024 392580119 /nfs/dbraw/zinc/58/01/19/392580119.db2.gz VHLVKPBGEXQYEF-ZWKOTPCHSA-N 1 0 289.419 3.304 20 10 CGCDRO Cc1nn(C)cc1[C@@H](C)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000178716691 392683799 /nfs/dbraw/zinc/68/37/99/392683799.db2.gz ALUIZGYUVVLVTQ-CHWSQXEVSA-N 1 0 286.423 3.206 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H](C)COC)c1ccc(N(C)C)cc1 ZINC000178670828 392684407 /nfs/dbraw/zinc/68/44/07/392684407.db2.gz KCILLWLPOJOCTD-XJKSGUPXSA-N 1 0 264.413 3.076 20 10 CGCDRO C[C@@H]([NH2+]CC[C@@](C)(O)c1ccccc1)c1ccccc1O ZINC000187894956 392796382 /nfs/dbraw/zinc/79/63/82/392796382.db2.gz BEJUFEIAZKMVOE-RDTXWAMCSA-N 1 0 285.387 3.341 20 10 CGCDRO COc1cc(C[N@H+](C)Cc2ccccc2O)ccc1C ZINC000193757466 392885134 /nfs/dbraw/zinc/88/51/34/392885134.db2.gz DKVUTSWBRNDUBO-UHFFFAOYSA-N 1 0 271.360 3.341 20 10 CGCDRO Oc1cc2c(cc1C[NH2+][C@H](c1ccccc1)C1CC1)OCO2 ZINC000238136007 393035686 /nfs/dbraw/zinc/03/56/86/393035686.db2.gz BSEHEKLDQKZXFW-GOSISDBHSA-N 1 0 297.354 3.362 20 10 CGCDRO COCC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccco1 ZINC000272519334 393263435 /nfs/dbraw/zinc/26/34/35/393263435.db2.gz ITKSPDCCXHCZJJ-MRXNPFEDSA-N 1 0 288.391 3.213 20 10 CGCDRO COCCC[C@H](C)[NH2+]Cc1c(C)c2ccccc2n1C ZINC000358988066 393531810 /nfs/dbraw/zinc/53/18/10/393531810.db2.gz PQAKZGNCYMOAEF-ZDUSSCGKSA-N 1 0 274.408 3.391 20 10 CGCDRO CC[C@H]([NH2+]C1CCN(C(C)C)CC1)c1ccccc1O ZINC000020189266 171054114 /nfs/dbraw/zinc/05/41/14/171054114.db2.gz SLSVFFLESLVVQQ-INIZCTEOSA-N 1 0 276.424 3.306 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCCOCC(C)C)c1 ZINC000035628899 172308356 /nfs/dbraw/zinc/30/83/56/172308356.db2.gz NOBYWDFSNVINRJ-CQSZACIVSA-N 1 0 265.397 3.414 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)N2CCCCC2)c(O)c1 ZINC000038028700 174017617 /nfs/dbraw/zinc/01/76/17/174017617.db2.gz XWVAGHPIYLEXRG-HUUCEWRRSA-N 1 0 276.424 3.226 20 10 CGCDRO C[C@@H]([NH2+][C@H](C)C1CCOCC1)c1ccc(N(C)C)cc1 ZINC000126137408 260346129 /nfs/dbraw/zinc/34/61/29/260346129.db2.gz UTWNTCOGWZONBY-ZIAGYGMSSA-N 1 0 276.424 3.218 20 10 CGCDRO CC[C@H](CO)[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000151805922 261055432 /nfs/dbraw/zinc/05/54/32/261055432.db2.gz DPCFIGJYOIWIOG-DZGCQCFKSA-N 1 0 294.414 3.238 20 10 CGCDRO CC[C@H]([NH2+]C[C@H](O)C1CCCCC1)c1ccccc1O ZINC000155602486 261104525 /nfs/dbraw/zinc/10/45/25/261104525.db2.gz ILSBVWNDSRRAFG-RDJZCZTQSA-N 1 0 277.408 3.374 20 10 CGCDRO C[C@H]([NH2+]CC(C)(C)O)c1ccc(N2CCCCC2)c(F)c1 ZINC000160595267 261219278 /nfs/dbraw/zinc/21/92/78/261219278.db2.gz SPCDTRMYMOCTBA-ZDUSSCGKSA-N 1 0 294.414 3.238 20 10 CGCDRO C[C@H]([NH2+]C1CCN(C2CC2)CC1)c1cc(Cl)ccc1O ZINC000184913016 262033036 /nfs/dbraw/zinc/03/30/36/262033036.db2.gz WTCVSDGGSRDPAI-NSHDSACASA-N 1 0 294.826 3.323 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C2CCC3(CC2)OCCO3)c1 ZINC000185052258 262039043 /nfs/dbraw/zinc/03/90/43/262039043.db2.gz VQLJQXVSBVYICH-ZDUSSCGKSA-N 1 0 291.391 3.037 20 10 CGCDRO CC(C)C[C@@H](CO)[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000185114031 262042154 /nfs/dbraw/zinc/04/21/54/262042154.db2.gz VXEZPAQMUJZVEV-PWSUYJOCSA-N 1 0 271.788 3.103 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)c2cccc(F)c2)c1 ZINC000185162307 262043297 /nfs/dbraw/zinc/04/32/97/262043297.db2.gz DOEOVECHSRDBKA-SJCJKPOMSA-N 1 0 289.350 3.224 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2cccc(F)c2)c(O)c1 ZINC000185162901 262044432 /nfs/dbraw/zinc/04/44/32/262044432.db2.gz YIWLUJJWFDLGRJ-SJKOYZFVSA-N 1 0 289.350 3.224 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@](C)(O)c2ccsc2)c1 ZINC000185528839 262058624 /nfs/dbraw/zinc/05/86/24/262058624.db2.gz WTCISFBWRBDPLR-MLGOLLRUSA-N 1 0 291.416 3.320 20 10 CGCDRO CC[C@H](CCO)C[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000185676905 262065678 /nfs/dbraw/zinc/06/56/78/262065678.db2.gz PQEOSTHQNQQWPC-GHMZBOCLSA-N 1 0 271.788 3.105 20 10 CGCDRO Cc1c(C[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)cnn1C ZINC000186188247 262083598 /nfs/dbraw/zinc/08/35/98/262083598.db2.gz YNPWCIPIVPMCES-LBPRGKRZSA-N 1 0 299.418 3.164 20 10 CGCDRO C[C@@H]([NH2+][C@H](CCO)c1ccco1)c1ccc(N(C)C)cc1 ZINC000186546838 262098504 /nfs/dbraw/zinc/09/85/04/262098504.db2.gz CVZCASQXGULVMS-CZUORRHYSA-N 1 0 288.391 3.120 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1CCCN1C)c1ccc2ccccc2c1O ZINC000185142110 262303341 /nfs/dbraw/zinc/30/33/41/262303341.db2.gz XTIAGWVGASWRGY-HIFRSBDPSA-N 1 0 284.403 3.290 20 10 CGCDRO C[C@@H](CO)[N@@H+](Cc1cccc(Cl)c1[O-])CC1CCC1 ZINC000283832260 263084488 /nfs/dbraw/zinc/08/44/88/263084488.db2.gz CQYSYJWCRMRBIZ-NSHDSACASA-N 1 0 283.799 3.029 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+][C@H]2CCSC2)c(O)c1 ZINC000285051406 263089576 /nfs/dbraw/zinc/08/95/76/263089576.db2.gz INJUEARGOQVXNN-NEPJUHHUSA-N 1 0 251.395 3.165 20 10 CGCDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1cc(Cl)ccc1O ZINC000367685383 267108460 /nfs/dbraw/zinc/10/84/60/267108460.db2.gz MEUGCSJAKOJYND-WFASDCNBSA-N 1 0 294.826 3.104 20 10 CGCDRO CC(C)[NH+]1CCC([NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])CC1 ZINC000187766759 279481421 /nfs/dbraw/zinc/48/14/21/279481421.db2.gz WLEXVHHDISOCRB-NSHDSACASA-N 1 0 298.377 3.194 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](CC(C)C)N(C)C)c1 ZINC000020201550 295168394 /nfs/dbraw/zinc/16/83/94/295168394.db2.gz CJLFNOIDDIYNNF-KBPBESRZSA-N 1 0 294.439 3.028 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCCC[C@@H]2O)cc1 ZINC000165242013 327727373 /nfs/dbraw/zinc/72/73/73/327727373.db2.gz RLPYRHXEGDZJNN-XYPHTWIQSA-N 1 0 276.424 3.097 20 10 CGCDRO C[C@@H](CCO)C1(C[NH2+]Cc2ccc(N(C)C)cc2)CCC1 ZINC000271805780 328197327 /nfs/dbraw/zinc/19/73/27/328197327.db2.gz JTMATUSPFUTVSW-HNNXBMFYSA-N 1 0 290.451 3.031 20 10 CGCDRO CC(C)C[C@@H](CCO)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000154625608 327587157 /nfs/dbraw/zinc/58/71/57/327587157.db2.gz UFLHHZJXUIBSBJ-JKSUJKDBSA-N 1 0 292.467 3.448 20 10 CGCDRO COc1ccc(N2CCC([NH2+]CC3CCC3)CC2)cc1 ZINC000360037385 329070323 /nfs/dbraw/zinc/07/03/23/329070323.db2.gz QSCWWDACRPMZMM-UHFFFAOYSA-N 1 0 274.408 3.054 20 10 CGCDRO FC(F)Oc1ccc(N2CCC[C@H]([NH2+]CC3CC3)C2)cc1 ZINC000174621867 329160448 /nfs/dbraw/zinc/16/04/48/329160448.db2.gz KLQYMYDLJBTZOI-ZDUSSCGKSA-N 1 0 296.361 3.256 20 10 CGCDRO CCC[C@@H](C[NH2+][C@@H]1CCc2cccc(O)c21)OCC ZINC000527933717 330297643 /nfs/dbraw/zinc/29/76/43/330297643.db2.gz RXOIEPKEOOIBNY-UONOGXRCSA-N 1 0 263.381 3.174 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1CCN1C1CCCC1)c1ccccc1O ZINC000528012159 330304100 /nfs/dbraw/zinc/30/41/00/330304100.db2.gz OJLTWYIYAMYHBO-ZFWWWQNUSA-N 1 0 274.408 3.060 20 10 CGCDRO Oc1ccccc1[C@H](CCc1ccccc1)[NH2+]CC1COC1 ZINC000528029601 330305210 /nfs/dbraw/zinc/30/52/10/330305210.db2.gz ZRYRBRLDLBYLJL-SFHVURJKSA-N 1 0 297.398 3.302 20 10 CGCDRO C[C@H](Cc1ccccc1F)[NH2+]Cc1ccccc1O ZINC000166351746 331307052 /nfs/dbraw/zinc/30/70/52/331307052.db2.gz FCWNCVOWRMZVAT-GFCCVEGCSA-N 1 0 259.324 3.252 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H](OC)C(C)C)c1ccccc1O ZINC000274908609 334785316 /nfs/dbraw/zinc/78/53/16/334785316.db2.gz MOSJSEDGOLERKB-UKRRQHHQSA-N 1 0 251.370 3.104 20 10 CGCDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](CC)c2ccccc2O)C1 ZINC000280997564 521140861 /nfs/dbraw/zinc/14/08/61/521140861.db2.gz KKMFHQRPZVMWKA-VNHYZAJKSA-N 1 0 291.391 3.165 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c1O ZINC000292840931 521346739 /nfs/dbraw/zinc/34/67/39/521346739.db2.gz SCYKBBJBBXONNJ-DZGCQCFKSA-N 1 0 297.345 3.268 20 10 CGCDRO CCOc1cccc(C[NH2+][C@H](C)c2cccc(O)c2)c1O ZINC000037151463 521372825 /nfs/dbraw/zinc/37/28/25/521372825.db2.gz WVXFDTXAIBHLRD-GFCCVEGCSA-N 1 0 287.359 3.347 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H]2[C@H]3Cc4ccccc4[C@@H]23)c1O ZINC000290654600 521373859 /nfs/dbraw/zinc/37/38/59/521373859.db2.gz ZHIIUQXBHALICD-CGTJXYLNSA-N 1 0 295.382 3.219 20 10 CGCDRO CCc1nc(C)c(C[NH2+]Cc2cc(C)c(C)cc2O)o1 ZINC000291799918 522205091 /nfs/dbraw/zinc/20/50/91/522205091.db2.gz XCLGNHHHGOITOG-UHFFFAOYSA-N 1 0 274.364 3.158 20 10 CGCDRO CC[C@H](CSC)[N@H+](C)Cc1cc(C)ccc1O ZINC000290372013 522268957 /nfs/dbraw/zinc/26/89/57/522268957.db2.gz HLXCSVRDGMYORQ-CYBMUJFWSA-N 1 0 253.411 3.274 20 10 CGCDRO CC[C@H]([NH2+]C[C@H]1CCCOC1)c1ccc(C)cc1O ZINC000280203792 522633682 /nfs/dbraw/zinc/63/36/82/522633682.db2.gz SXWCWFJQDHLJNB-HIFRSBDPSA-N 1 0 263.381 3.168 20 10 CGCDRO CC[C@@H]([NH2+]CCc1nccs1)c1ccccc1O ZINC000063133344 522846089 /nfs/dbraw/zinc/84/60/89/522846089.db2.gz NVYMIKSRWYZKKH-GFCCVEGCSA-N 1 0 262.378 3.132 20 10 CGCDRO CC[C@@H]([NH2+]Cc1nccs1)c1ccc(N(C)C)cc1 ZINC000128174811 522895553 /nfs/dbraw/zinc/89/55/53/522895553.db2.gz ZUTZWAUQULTMEQ-CQSZACIVSA-N 1 0 275.421 3.450 20 10 CGCDRO CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000290163636 523892103 /nfs/dbraw/zinc/89/21/03/523892103.db2.gz MCNCEMHORWSYDL-FRRDWIJNSA-N 1 0 251.370 3.083 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000062051292 524595339 /nfs/dbraw/zinc/59/53/39/524595339.db2.gz YTDCQPDZJMVJOB-AWEZNQCLSA-N 1 0 269.392 3.307 20 10 CGCDRO C[C@H]1C[N@H+](Cc2cc(F)ccc2O)CCC1(F)F ZINC000291489174 524611081 /nfs/dbraw/zinc/61/10/81/524611081.db2.gz GJSUIDFXPKRNKU-VIFPVBQESA-N 1 0 259.271 3.008 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)CC(C)C)c1 ZINC000037261107 524765099 /nfs/dbraw/zinc/76/50/99/524765099.db2.gz UVQZTHCUSADCLH-VXGBXAGGSA-N 1 0 251.370 3.486 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCCC23CCOCC3)cc1C ZINC000281832845 525321742 /nfs/dbraw/zinc/32/17/42/525321742.db2.gz ABGMNANKOXUZDF-KRWDZBQOSA-N 1 0 289.419 3.448 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CC2CC(F)(F)C2)cc1C ZINC000291632428 525323135 /nfs/dbraw/zinc/32/31/35/525323135.db2.gz AQGQKGYJYHWTQY-UHFFFAOYSA-N 1 0 255.308 3.144 20 10 CGCDRO C[C@H]([NH2+]CCCCO)c1ccc(N2CCCCCC2)cc1 ZINC000194211269 525336820 /nfs/dbraw/zinc/33/68/20/525336820.db2.gz DNQJWACMCIEQHF-INIZCTEOSA-N 1 0 290.451 3.490 20 10 CGCDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1O ZINC000040675883 525369104 /nfs/dbraw/zinc/36/91/04/525369104.db2.gz NILCULFHLXUBOW-LBPRGKRZSA-N 1 0 286.331 3.194 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1CCCSC1)c1cc(F)ccc1O ZINC000286895991 525500939 /nfs/dbraw/zinc/50/09/39/525500939.db2.gz DHPVMYNJUSQUEP-GHMZBOCLSA-N 1 0 269.385 3.325 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCN(C)C2CCCC2)c(O)c1 ZINC000071376785 525724403 /nfs/dbraw/zinc/72/44/03/525724403.db2.gz NHMRGRAKBGGUDT-CQSZACIVSA-N 1 0 276.424 3.226 20 10 CGCDRO C[C@@H](O)CCC[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000278559000 525756382 /nfs/dbraw/zinc/75/63/82/525756382.db2.gz CFQYRUIVGCRASQ-CQSZACIVSA-N 1 0 285.387 3.310 20 10 CGCDRO C[C@@]1(CCCO)CCC[N@@H+]1Cc1c(O)cccc1Cl ZINC000290540263 525825713 /nfs/dbraw/zinc/82/57/13/525825713.db2.gz RGLGWBRKJACPNU-HNNXBMFYSA-N 1 0 283.799 3.173 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](CCO)c2ccco2)c(O)c1C ZINC000274708376 525938691 /nfs/dbraw/zinc/93/86/91/525938691.db2.gz ZRWCGWUHFMRIRZ-ZFWWWQNUSA-N 1 0 289.375 3.376 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCOC2(C)C)c(O)c1C ZINC000296359496 525946742 /nfs/dbraw/zinc/94/67/42/525946742.db2.gz IRMDYVZTXCMJDU-JSGCOSHPSA-N 1 0 263.381 3.227 20 10 CGCDRO COc1cccc(C[NH2+][C@@H](C)c2ccccc2O)c1 ZINC000037680138 526031071 /nfs/dbraw/zinc/03/10/71/526031071.db2.gz TVWLTKADHVXPET-LBPRGKRZSA-N 1 0 257.333 3.252 20 10 CGCDRO Cc1cnn([C@H]2CC[N@@H+](Cc3ccc(N(C)C)c(C)c3)C2)c1 ZINC000293518119 526268905 /nfs/dbraw/zinc/26/89/05/526268905.db2.gz IKWISQHKMMHKDA-KRWDZBQOSA-N 1 0 298.434 3.013 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+][C@H]1CCCSC1 ZINC000129236016 526365596 /nfs/dbraw/zinc/36/55/96/526365596.db2.gz IGAYLENHFREAND-VIFPVBQESA-N 1 0 257.786 3.031 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]CC1(O)CCCCCC1)CC2 ZINC000297513967 526368208 /nfs/dbraw/zinc/36/82/08/526368208.db2.gz CTLHYOIIKSTJDA-CQSZACIVSA-N 1 0 275.392 3.054 20 10 CGCDRO Oc1ccccc1C[NH2+]C[C@H]1CCCN(c2ccccc2)C1 ZINC000366047185 526373439 /nfs/dbraw/zinc/37/34/39/526373439.db2.gz ULNXARBGXVKVHT-MRXNPFEDSA-N 1 0 296.414 3.398 20 10 CGCDRO Oc1ccc2ccncc2c1C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000728562187 571811947 /nfs/dbraw/zinc/81/19/47/571811947.db2.gz HTRUTFFLPSCHES-MRXNPFEDSA-N 1 0 268.360 3.315 20 10 CGCDRO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cc3c(cc1O)OCO3)CC2 ZINC000730109580 571949204 /nfs/dbraw/zinc/94/92/04/571949204.db2.gz SXZWXHWQEOKXMI-HNNXBMFYSA-N 1 0 297.354 3.206 20 10 CGCDRO COc1ccc(N2CCC[N@H+](C[Si](C)(C)C)CC2)cc1 ZINC000731211716 572401885 /nfs/dbraw/zinc/40/18/85/572401885.db2.gz XBUQLCKKLRNEAM-UHFFFAOYSA-N 1 0 292.499 3.085 20 10 CGCDRO COc1ccc(C2([NH2+]Cc3cccc(OC)c3O)CC2)cc1 ZINC000731678118 572423271 /nfs/dbraw/zinc/42/32/71/572423271.db2.gz FQXPRHLAQFIMCF-UHFFFAOYSA-N 1 0 299.370 3.188 20 10 CGCDRO Cn1nccc1C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000725847383 572439740 /nfs/dbraw/zinc/43/97/40/572439740.db2.gz KJZOZHHNJZFXQJ-UHFFFAOYSA-N 1 0 293.370 3.083 20 10 CGCDRO CC[C@@H](C)C[N@H+](C)Cc1c(O)ccc2ccncc21 ZINC000732184087 572451888 /nfs/dbraw/zinc/45/18/88/572451888.db2.gz QOWLJCOGUXMXML-GFCCVEGCSA-N 1 0 258.365 3.418 20 10 CGCDRO CCOc1ccc(C[NH2+]C(C)(C)C(C)C)c(O)c1 ZINC000732229668 572454236 /nfs/dbraw/zinc/45/42/36/572454236.db2.gz VUJSBVZRJSAINS-UHFFFAOYSA-N 1 0 251.370 3.315 20 10 CGCDRO COc1ccc(C)cc1C[NH2+]Cc1cc(C)ccc1O ZINC000733322337 572555497 /nfs/dbraw/zinc/55/54/97/572555497.db2.gz HVWBCTDYFICWLV-UHFFFAOYSA-N 1 0 271.360 3.307 20 10 CGCDRO COc1cc(C[NH2+]Cc2cc(C)ccc2O)ccc1C ZINC000733325273 572556472 /nfs/dbraw/zinc/55/64/72/572556472.db2.gz BSTNMKFROADYTP-UHFFFAOYSA-N 1 0 271.360 3.307 20 10 CGCDRO COc1cccc(O)c1C[NH2+][C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000742378396 572571647 /nfs/dbraw/zinc/57/16/47/572571647.db2.gz HJIPKYKLMYZDPC-BFHYXJOUSA-N 1 0 275.392 3.459 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)[C@@H]2CCCOC2)cc1 ZINC000750791324 573179370 /nfs/dbraw/zinc/17/93/70/573179370.db2.gz NUMOFKWTWJJDEE-QGZVFWFLSA-N 1 0 276.424 3.144 20 10 CGCDRO C[N@H+](CCOCC1CC1)Cc1cc2c(cc1O)CCCC2 ZINC000160388392 618034205 /nfs/dbraw/zinc/03/42/05/618034205.db2.gz CYZJHXONRWXPSF-UHFFFAOYSA-N 1 0 289.419 3.129 20 10 CGCDRO COc1cc(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)c(O)cc1C ZINC000160367761 618024747 /nfs/dbraw/zinc/02/47/47/618024747.db2.gz RMFMGOUZKAMYDM-OKILXGFUSA-N 1 0 275.392 3.331 20 10 CGCDRO COCC[C@H](C)C[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000840835799 618149689 /nfs/dbraw/zinc/14/96/89/618149689.db2.gz QTSXCQRKCZIZJI-FZMZJTMJSA-N 1 0 265.397 3.332 20 10 CGCDRO Cc1cc(O)c(C[N@H+](C)C[C@@H]2CCOC2)cc1C(C)C ZINC000176090238 618331148 /nfs/dbraw/zinc/33/11/48/618331148.db2.gz UOPKSTJKJLNXPW-AWEZNQCLSA-N 1 0 277.408 3.292 20 10 CGCDRO C[C@H]1CC[C@@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000309046368 618617499 /nfs/dbraw/zinc/61/74/99/618617499.db2.gz NKRLLAVJLWJUDJ-KWQFWETISA-N 1 0 270.170 3.043 20 10 CGCDRO CC(C)CCOCC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000045094197 618619078 /nfs/dbraw/zinc/61/90/78/618619078.db2.gz RFGHSWVBSCGUSR-OAHLLOKOSA-N 1 0 278.440 3.466 20 10 CGCDRO COc1ccc(C[NH2+]CCOc2ccccc2)cc1C ZINC000049943259 618645223 /nfs/dbraw/zinc/64/52/23/618645223.db2.gz FOINFZRMAOQNML-UHFFFAOYSA-N 1 0 271.360 3.172 20 10 CGCDRO CSC1(C[NH2+]Cc2ccc3c(c2)CCCN3C)CCC1 ZINC000235133942 618677005 /nfs/dbraw/zinc/67/70/05/618677005.db2.gz GJFAFSSDABCRHP-UHFFFAOYSA-N 1 0 290.476 3.444 20 10 CGCDRO CS[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccccc2O)C1 ZINC000228794854 618737090 /nfs/dbraw/zinc/73/70/90/618737090.db2.gz FGXDGVDOMQMMDH-SDDRHHMPSA-N 1 0 251.395 3.327 20 10 CGCDRO CC[C@@H]1CC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000134984500 618739110 /nfs/dbraw/zinc/73/91/10/618739110.db2.gz BMAVMNBCBZTCGL-LLVKDONJSA-N 1 0 281.783 3.480 20 10 CGCDRO COc1cc(C[NH2+]Cc2c(O)cc(C)cc2Cl)ccn1 ZINC000840873403 618739824 /nfs/dbraw/zinc/73/98/24/618739824.db2.gz ANVZXVVKVLTXSG-UHFFFAOYSA-N 1 0 292.766 3.047 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@]2(C)CCCO2)cc1 ZINC000167036855 618798372 /nfs/dbraw/zinc/79/83/72/618798372.db2.gz GPJAJGAJUDYSNC-PBHICJAKSA-N 1 0 276.424 3.362 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)c1ccccc1O ZINC000179892374 618813951 /nfs/dbraw/zinc/81/39/51/618813951.db2.gz ALXKSSHFPLUDHC-AWEZNQCLSA-N 1 0 293.370 3.429 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@@H]1CCCOCC1 ZINC000840894329 618944480 /nfs/dbraw/zinc/94/44/80/618944480.db2.gz QLACIZHDHZFTEQ-NVXWUHKLSA-N 1 0 290.451 3.151 20 10 CGCDRO Cc1n[nH]cc1[C@@H](C)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000180101321 619012561 /nfs/dbraw/zinc/01/25/61/619012561.db2.gz HMOBQRVYRUTPDB-CYBMUJFWSA-N 1 0 284.407 3.169 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CCC(C)(C)C2)c(O)c1OC ZINC000893222683 619034242 /nfs/dbraw/zinc/03/42/42/619034242.db2.gz WUTCAZSWEPPOAT-GFCCVEGCSA-N 1 0 279.380 3.078 20 10 CGCDRO Cc1cccc2nc(C[NH2+][C@H](C)c3cc(F)ccc3O)cn21 ZINC000185412876 619061101 /nfs/dbraw/zinc/06/11/01/619061101.db2.gz GHQSMGIAGYIRMK-GFCCVEGCSA-N 1 0 299.349 3.338 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H](O)CC(C)C)c1cc(Cl)ccc1O ZINC000775498254 619074974 /nfs/dbraw/zinc/07/49/74/619074974.db2.gz ZNSDACMJUQAJMU-TZMCWYRMSA-N 1 0 285.815 3.493 20 10 CGCDRO CC[N@@H+](Cc1cc(Cl)cc(C)c1O)C[C@@H]1CCOC1 ZINC000775653677 619084107 /nfs/dbraw/zinc/08/41/07/619084107.db2.gz MJPATWRRHUXLEL-LBPRGKRZSA-N 1 0 283.799 3.212 20 10 CGCDRO CCOc1cccc(C[NH2+]CC(C)(C)CC)c1O ZINC000189992463 619096530 /nfs/dbraw/zinc/09/65/30/619096530.db2.gz ZGNGASCLMLXPOR-UHFFFAOYSA-N 1 0 251.370 3.317 20 10 CGCDRO CC(C)Oc1ncccc1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000319244990 619105916 /nfs/dbraw/zinc/10/59/16/619105916.db2.gz NFHKWCYHAHLHNW-OAHLLOKOSA-N 1 0 298.386 3.352 20 10 CGCDRO CCOC1(C[NH2+]Cc2ccc(N(C)C)cc2)CCCC1 ZINC000312654695 619110356 /nfs/dbraw/zinc/11/03/56/619110356.db2.gz XAYSUTNBOXSUPG-UHFFFAOYSA-N 1 0 276.424 3.192 20 10 CGCDRO Cc1cccc(C[C@@H](CO)[NH2+][C@@H](C)c2cc(C)ccc2O)c1 ZINC000191605620 619111711 /nfs/dbraw/zinc/11/17/11/619111711.db2.gz UCYTYJDNGUIUBM-RDJZCZTQSA-N 1 0 299.414 3.263 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cnccc2C)c1 ZINC000162665943 619125540 /nfs/dbraw/zinc/12/55/40/619125540.db2.gz PFRGWTJMRLRFHX-CYBMUJFWSA-N 1 0 256.349 3.255 20 10 CGCDRO Cc1cccc(C[N@@H+](C)Cc2ccc(N(C)C)cc2C)n1 ZINC000840916724 619132360 /nfs/dbraw/zinc/13/23/60/619132360.db2.gz DUYVFQBHARUXNK-UHFFFAOYSA-N 1 0 283.419 3.396 20 10 CGCDRO Cc1cnc(CC[N@@H+](C)Cc2cc(Cl)ccc2O)s1 ZINC000093807217 619217847 /nfs/dbraw/zinc/21/78/47/619217847.db2.gz PVWYJGYVCAJMMJ-UHFFFAOYSA-N 1 0 296.823 3.485 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2COc3ccccc3C2)c1 ZINC000185224199 619222267 /nfs/dbraw/zinc/22/22/67/619222267.db2.gz HCJXHNOJTNSTEA-HIFRSBDPSA-N 1 0 283.371 3.355 20 10 CGCDRO COc1cc(C[N@H+](C)Cc2ccccc2)c(O)cc1C ZINC000159458968 619272725 /nfs/dbraw/zinc/27/27/25/619272725.db2.gz MTMSLIWQAQTXKI-UHFFFAOYSA-N 1 0 271.360 3.341 20 10 CGCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2O)C1(CC)CC ZINC000236880546 619306851 /nfs/dbraw/zinc/30/68/51/619306851.db2.gz OZRSISPLXNPXOQ-HZPDHXFCSA-N 1 0 277.408 3.466 20 10 CGCDRO C[N@H+](Cc1ccccc1O)Cc1cccc2c1NCCC2 ZINC000893961402 619337559 /nfs/dbraw/zinc/33/75/59/619337559.db2.gz GFKXVCNAOGIQIY-UHFFFAOYSA-N 1 0 282.387 3.382 20 10 CGCDRO COc1cc(C)cc(C[NH2+]CCc2cccc(F)c2)c1O ZINC000894156306 619395460 /nfs/dbraw/zinc/39/54/60/619395460.db2.gz FVBYRPDAUIATFO-UHFFFAOYSA-N 1 0 289.350 3.181 20 10 CGCDRO COc1ccc(O)c(C[NH2+]Cc2cccc3c2NCCC3)c1 ZINC000894261950 619451054 /nfs/dbraw/zinc/45/10/54/619451054.db2.gz YGRXDIKQJHUGFQ-UHFFFAOYSA-N 1 0 298.386 3.049 20 10 CGCDRO COc1cc(C)cc(C[NH2+]CC[C@@H]2CCO[C@H](C)C2)c1O ZINC000894443095 619538871 /nfs/dbraw/zinc/53/88/71/619538871.db2.gz CUOKNWKIRFPUKN-ZIAGYGMSSA-N 1 0 293.407 3.004 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1cc(F)ccc1O ZINC000185378317 625354289 /nfs/dbraw/zinc/35/42/89/625354289.db2.gz ILCWHZCGGLNNHH-JTQLQIEISA-N 1 0 288.297 3.393 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+](C)[C@H]2CCCc3c2cnn3C)c1 ZINC000164540039 619713944 /nfs/dbraw/zinc/71/39/44/619713944.db2.gz ZNYYLVQFOAFTOP-INIZCTEOSA-N 1 0 299.418 3.252 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@](C)(O)c2ccsc2)c(O)c1 ZINC000185529411 625367844 /nfs/dbraw/zinc/36/78/44/625367844.db2.gz KGAMUYXZTGUOOT-WBMJQRKESA-N 1 0 291.416 3.320 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]Cc2cnc(Cl)s2)c1 ZINC000895155609 619759627 /nfs/dbraw/zinc/75/96/27/619759627.db2.gz KBFYZWMBCANVST-UHFFFAOYSA-N 1 0 298.795 3.191 20 10 CGCDRO CC(C)CC[C@](C)(O)C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000185528297 625370711 /nfs/dbraw/zinc/37/07/11/625370711.db2.gz XEHQIUMNDNMPAV-LRDDRELGSA-N 1 0 283.387 3.369 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@@H]2CCc3ccc(O)cc32)c1O ZINC000895278513 619794526 /nfs/dbraw/zinc/79/45/26/619794526.db2.gz LGGIEPCJUMXORO-MRXNPFEDSA-N 1 0 299.370 3.192 20 10 CGCDRO CO[C@H](C[NH2+]Cc1cc(C)c(C)cc1O)CC(C)C ZINC000841888556 619815055 /nfs/dbraw/zinc/81/50/55/619815055.db2.gz LVNXCWSSVQWGJV-HNNXBMFYSA-N 1 0 265.397 3.160 20 10 CGCDRO CCCOc1ccc(C[NH2+]CC2CSC2)cc1C ZINC000895423964 619827654 /nfs/dbraw/zinc/82/76/54/619827654.db2.gz HRQREURUBOUZAF-UHFFFAOYSA-N 1 0 265.422 3.236 20 10 CGCDRO COc1cc(O)c(C[NH2+]CC2(CC3CC3)CC2)cc1OC ZINC000895533177 619843316 /nfs/dbraw/zinc/84/33/16/619843316.db2.gz ZYDXTMFGDRMRRI-UHFFFAOYSA-N 1 0 291.391 3.079 20 10 CGCDRO CCCSC[C@H](C)[NH2+]Cc1cc(C)ccc1O ZINC000895579899 619855842 /nfs/dbraw/zinc/85/58/42/619855842.db2.gz FAZYFAIQKNXXKT-LBPRGKRZSA-N 1 0 253.411 3.322 20 10 CGCDRO Cc1ccc(C[NH+]2CCC3(CCCCO3)CC2)c(O)c1 ZINC000895655688 619864486 /nfs/dbraw/zinc/86/44/86/619864486.db2.gz ISCVGFHDRTUYNK-UHFFFAOYSA-N 1 0 275.392 3.236 20 10 CGCDRO COc1ccc(C[NH2+]C[C@]23C[C@H]2CCCC3)c(O)c1OC ZINC000896267414 619983764 /nfs/dbraw/zinc/98/37/64/619983764.db2.gz HDJNNXNBPLUKCK-DYVFJYSZSA-N 1 0 291.391 3.079 20 10 CGCDRO COc1ccc(C[NH2+]C[C@@]23C[C@@H]2CCCC3)c(O)c1OC ZINC000896267418 619984005 /nfs/dbraw/zinc/98/40/05/619984005.db2.gz HDJNNXNBPLUKCK-SUMWQHHRSA-N 1 0 291.391 3.079 20 10 CGCDRO Cc1cnc(C[NH2+][C@H](C)c2cc(C)ccc2O)s1 ZINC000185568962 625386336 /nfs/dbraw/zinc/38/63/36/625386336.db2.gz FNWQEXRRWMOTEU-LLVKDONJSA-N 1 0 262.378 3.316 20 10 CGCDRO COc1cc(C)cc(C[NH2+]C(C)(C)/C=C/Cl)c1O ZINC000896748595 620055853 /nfs/dbraw/zinc/05/58/53/620055853.db2.gz XKXIZIFKFKKTIL-AATRIKPKSA-N 1 0 269.772 3.330 20 10 CGCDRO Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2)c(O)c1 ZINC000896792755 620063845 /nfs/dbraw/zinc/06/38/45/620063845.db2.gz OHYCGFFISQUYHX-ROUUACIJSA-N 1 0 294.398 3.164 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+][C@@H]1CCSC2(CCC2)C1 ZINC000896952019 620112486 /nfs/dbraw/zinc/11/24/86/620112486.db2.gz UQDPFLMRDFRXJF-CYBMUJFWSA-N 1 0 281.396 3.439 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000897267752 620175099 /nfs/dbraw/zinc/17/50/99/620175099.db2.gz OYFQNGLPAQQTHA-HNNXBMFYSA-N 1 0 275.392 3.031 20 10 CGCDRO [O-]c1c(Cl)cccc1C[NH2+]C1([C@@H]2CCCCO2)CC1 ZINC000897387385 620280623 /nfs/dbraw/zinc/28/06/23/620280623.db2.gz SYKZJPUPNYGLGJ-ZDUSSCGKSA-N 1 0 281.783 3.237 20 10 CGCDRO C[C@@H]([NH2+][C@@H](CO)CC1CCC1)c1ccc(Cl)cc1O ZINC000841751620 620375028 /nfs/dbraw/zinc/37/50/28/620375028.db2.gz IFWBSPVWRXPDPU-ZWNOBZJWSA-N 1 0 283.799 3.247 20 10 CGCDRO C[C@@H]([NH2+][C@@H](CO)CC1CCCCC1)c1ccccc1O ZINC000841762989 620407650 /nfs/dbraw/zinc/40/76/50/620407650.db2.gz SQNVZPMRSHTMOJ-UKRRQHHQSA-N 1 0 277.408 3.374 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C2CC3(C2)COC(C)(C)C3)cc1C ZINC000897973214 620451658 /nfs/dbraw/zinc/45/16/58/620451658.db2.gz OTRGSISCIUIKOQ-UHFFFAOYSA-N 1 0 289.419 3.446 20 10 CGCDRO COc1cccc(C[NH2+]CC[C@H]2CCC(F)(F)C2)c1O ZINC000898019481 620467467 /nfs/dbraw/zinc/46/74/67/620467467.db2.gz NJDJNZYWGXXECA-LLVKDONJSA-N 1 0 285.334 3.316 20 10 CGCDRO CCCOc1ccc(C[NH2+]CC[C@@H](O)C2CC2)cc1C ZINC000898194533 620492639 /nfs/dbraw/zinc/49/26/39/620492639.db2.gz JNLQJRUJSIUSHP-MRXNPFEDSA-N 1 0 277.408 3.034 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@H](c2ccncc2)C2CC2)c1 ZINC000898325117 620506865 /nfs/dbraw/zinc/50/68/65/620506865.db2.gz MMDWCPDZSHGOFR-SFHVURJKSA-N 1 0 298.386 3.427 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]Cc2ncc(C)cc2C)c1O ZINC000926958434 620554851 /nfs/dbraw/zinc/55/48/51/620554851.db2.gz FBPMIOGOGGUCIT-ZDUSSCGKSA-N 1 0 286.375 3.263 20 10 CGCDRO COC[C@@H](C[NH2+][C@H](C)c1ccc(C)cc1O)C(C)C ZINC000927097323 620575669 /nfs/dbraw/zinc/57/56/69/620575669.db2.gz UOCOYVLZLDCMCT-ZIAGYGMSSA-N 1 0 265.397 3.270 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+]C/C=C/Cl)cc1 ZINC000898426939 620585130 /nfs/dbraw/zinc/58/51/30/620585130.db2.gz CJKSHQKDLMPJFS-FJQHFOHYSA-N 1 0 250.773 3.108 20 10 CGCDRO C[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000902485171 621353409 /nfs/dbraw/zinc/35/34/09/621353409.db2.gz IMNHNFQOYRYLFS-IWSPIJDZSA-N 1 0 289.206 3.087 20 10 CGCDRO CCO[C@H]1CCC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000902784009 621439795 /nfs/dbraw/zinc/43/97/95/621439795.db2.gz MEWUJEHCCSKLGN-CVEARBPZSA-N 1 0 275.392 3.059 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@H]2C2CC2)c2c1c(F)ccc2O ZINC000903265577 621643473 /nfs/dbraw/zinc/64/34/73/621643473.db2.gz NPUVQVMCFXSBIQ-QKCCSUDSSA-N 1 0 291.366 3.237 20 10 CGCDRO C[C@@H]([NH2+]CC1(C2(O)CCC2)CC1)c1ccc(N(C)C)cc1 ZINC000903258558 621646152 /nfs/dbraw/zinc/64/61/52/621646152.db2.gz DNGWYDWSZBYYRU-CQSZACIVSA-N 1 0 288.435 3.098 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C2CC3(C2)CO[C@@H](C)C3)c1 ZINC000903283169 621650798 /nfs/dbraw/zinc/65/07/98/621650798.db2.gz PPZNQWQCQQSHNR-YRFCHQJDSA-N 1 0 275.392 3.309 20 10 CGCDRO C[C@H]([NH2+]C[C@@]1(c2ccccc2)C[C@@H](O)C1)c1ccccc1O ZINC000903277065 621659985 /nfs/dbraw/zinc/65/99/85/621659985.db2.gz UUODNAPQRYKWAP-QOKNQOGYSA-N 1 0 297.398 3.136 20 10 CGCDRO Cc1cc(CO)cc(C)c1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000903303554 621669059 /nfs/dbraw/zinc/66/90/59/621669059.db2.gz SUIMEKCJJHOULF-KRWDZBQOSA-N 1 0 297.398 3.278 20 10 CGCDRO CC1(C)Nc2ccccc2[C@H]1[NH2+]Cc1ccccc1O ZINC000903947592 621840133 /nfs/dbraw/zinc/84/01/33/621840133.db2.gz BTLRMWJRBVIRFP-MRXNPFEDSA-N 1 0 268.360 3.427 20 10 CGCDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)[C@@H]1C ZINC000042879339 621886041 /nfs/dbraw/zinc/88/60/41/621886041.db2.gz HMQSCTIIBLDNNZ-NQBHXWOUSA-N 1 0 277.364 3.035 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](CC)C2)c1 ZINC000768846328 625550895 /nfs/dbraw/zinc/55/08/95/625550895.db2.gz MHYJWFXLUXIFOS-ZDUSSCGKSA-N 1 0 263.381 3.413 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCCS2)c1 ZINC000149706947 622375304 /nfs/dbraw/zinc/37/53/04/622375304.db2.gz JWAFXQIBTSGGEW-RYUDHWBXSA-N 1 0 251.395 3.247 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CC2(CO)CCCC2)c(O)c1C ZINC000769996918 625581409 /nfs/dbraw/zinc/58/14/09/625581409.db2.gz XLLCAPVGJPPNNR-CQSZACIVSA-N 1 0 277.408 3.212 20 10 CGCDRO COc1cc(C)cc(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)c1O ZINC000164465193 622836065 /nfs/dbraw/zinc/83/60/65/622836065.db2.gz BPZOMJMJJOVCAW-OKILXGFUSA-N 1 0 275.392 3.331 20 10 CGCDRO Oc1ccccc1C[NH2+]Cc1c(F)cccc1Cl ZINC000083482932 625604231 /nfs/dbraw/zinc/60/42/31/625604231.db2.gz GOVLUZXVKHATNY-UHFFFAOYSA-N 1 0 265.715 3.475 20 10 CGCDRO CC[C@H]([NH2+]CC(CC)(CC)C(=O)OC)c1ccccc1O ZINC000158105748 623003051 /nfs/dbraw/zinc/00/30/51/623003051.db2.gz KRUVQIQLZCIGHX-AWEZNQCLSA-N 1 0 293.407 3.412 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H](Cn2ccnc2)C(C)(C)C)c1O ZINC000158117793 623007523 /nfs/dbraw/zinc/00/75/23/623007523.db2.gz RQHPOMUPXCOIFT-HNNXBMFYSA-N 1 0 287.407 3.102 20 10 CGCDRO CCc1cnc(C[NH2+]Cc2cc(Cl)ccc2O)s1 ZINC000230706961 623265094 /nfs/dbraw/zinc/26/50/94/623265094.db2.gz OVIQFKHHVXGXCO-UHFFFAOYSA-N 1 0 282.796 3.354 20 10 CGCDRO C[C@H](C[NH2+][C@H](C)c1ccc(F)cc1[O-])N1CCCCC1 ZINC000062747843 623267300 /nfs/dbraw/zinc/26/73/00/623267300.db2.gz MXURJLWNADMNKE-CHWSQXEVSA-N 1 0 280.387 3.056 20 10 CGCDRO CCN(CC)c1ccc(CN2CC[NH+](C(C)C)CC2)cc1 ZINC000914582005 623833380 /nfs/dbraw/zinc/83/33/80/623833380.db2.gz SMZSSVDWGTYUCL-UHFFFAOYSA-N 1 0 289.467 3.059 20 10 CGCDRO Cc1occc1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921580996 625691358 /nfs/dbraw/zinc/69/13/58/625691358.db2.gz AAUQFAADOVQYQI-UHFFFAOYSA-N 1 0 257.333 3.203 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1O ZINC000246023338 624109133 /nfs/dbraw/zinc/10/91/33/624109133.db2.gz KINFSRLECZSOEC-XFMPKHEZSA-N 1 0 263.381 3.389 20 10 CGCDRO CC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000154141554 624208111 /nfs/dbraw/zinc/20/81/11/624208111.db2.gz NOXPYBQQIMXBFU-FUHWJXTLSA-N 1 0 288.435 3.192 20 10 CGCDRO CCC[N@@H+](Cc1ccc(N2CCOCC2)cc1)CC1CC1 ZINC000154692112 624345552 /nfs/dbraw/zinc/34/55/52/624345552.db2.gz UMTWXZYLWIHBNC-UHFFFAOYSA-N 1 0 288.435 3.145 20 10 CGCDRO CCCC(C)(C)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000182188370 624948174 /nfs/dbraw/zinc/94/81/74/624948174.db2.gz WUPGRMOXQZRNBF-UHFFFAOYSA-N 1 0 267.369 3.078 20 10 CGCDRO C[C@@H]1CC[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)[C@H](C)C1 ZINC000070111301 624957732 /nfs/dbraw/zinc/95/77/32/624957732.db2.gz QGDOBFRBRVIAIA-NQBHXWOUSA-N 1 0 277.364 3.035 20 10 CGCDRO C[C@@H]([NH2+]CC(C)(C)N1CCCCC1)c1cc(F)ccc1O ZINC000184847800 625277751 /nfs/dbraw/zinc/27/77/51/625277751.db2.gz RWHSZXKAJPKHTI-CYBMUJFWSA-N 1 0 294.414 3.446 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2cncc(C)c2)c1 ZINC000186191632 625748126 /nfs/dbraw/zinc/74/81/26/625748126.db2.gz LEIPMYILJOKASB-ZDUSSCGKSA-N 1 0 256.349 3.255 20 10 CGCDRO Cc1cccc([C@@H](O)C[NH2+]Cc2ccc3c(c2)CCCO3)c1 ZINC000921860940 625914998 /nfs/dbraw/zinc/91/49/98/625914998.db2.gz NVIJIIDLGWUTEC-SFHVURJKSA-N 1 0 297.398 3.143 20 10 CGCDRO CC(C)OCCCC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921985358 625950583 /nfs/dbraw/zinc/95/05/83/625950583.db2.gz LQOJZVIZKXDNOA-UHFFFAOYSA-N 1 0 277.408 3.306 20 10 CGCDRO C[C@]1([NH2+]Cc2ccc3c(c2)CCCO3)CCO[C@H]1C1CC1 ZINC000921988901 625954291 /nfs/dbraw/zinc/95/42/91/625954291.db2.gz ABNPEJTVZCBQFR-ROUUACIJSA-N 1 0 287.403 3.059 20 10 CGCDRO CC[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)CCO1 ZINC000922192820 625982293 /nfs/dbraw/zinc/98/22/93/625982293.db2.gz XYUDCNWUBULAQG-CVEARBPZSA-N 1 0 275.392 3.059 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](CCO)c2ccco2)c(O)c1 ZINC000186520091 625985210 /nfs/dbraw/zinc/98/52/10/625985210.db2.gz VQMYQBJAGRIDBU-OCCSQVGLSA-N 1 0 275.348 3.068 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1ccns1 ZINC000922298420 625994105 /nfs/dbraw/zinc/99/41/05/625994105.db2.gz RLPBEBSCVDLKAQ-LLVKDONJSA-N 1 0 274.389 3.319 20 10 CGCDRO CC1([NH2+]Cc2ccc3c(c2)CCCO3)CC(F)(F)C1 ZINC000922330319 625999116 /nfs/dbraw/zinc/99/91/16/625999116.db2.gz QZIIMQCRWULMNT-UHFFFAOYSA-N 1 0 267.319 3.289 20 10 CGCDRO COc1ccc(C[NH2+]Cc2ccc3c(c2)ncn3C)cc1C ZINC000922481851 626007924 /nfs/dbraw/zinc/00/79/24/626007924.db2.gz IAXNCZKARJNGDX-UHFFFAOYSA-N 1 0 295.386 3.180 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H](c2ncccn2)C2CC2)cc1C ZINC000922578606 626014571 /nfs/dbraw/zinc/01/45/71/626014571.db2.gz BQTFBQFOCRLGAZ-INIZCTEOSA-N 1 0 283.375 3.040 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCS[C@@H](C)C2)c1 ZINC000922841067 626055064 /nfs/dbraw/zinc/05/50/64/626055064.db2.gz DWWLCBFZNDOGIF-WCQYABFASA-N 1 0 281.421 3.165 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H](c2cnn(C)c2)C(C)C)cc1C ZINC000922892771 626089623 /nfs/dbraw/zinc/08/96/23/626089623.db2.gz CDPXZARNELFVSF-QGZVFWFLSA-N 1 0 287.407 3.229 20 10 CGCDRO CC1(C)C[C@@H](C[NH2+]Cc2ccc3c(c2)CCO3)C(C)(C)O1 ZINC000922951197 626106770 /nfs/dbraw/zinc/10/67/70/626106770.db2.gz KSFYSUVMOZXQNI-HNNXBMFYSA-N 1 0 289.419 3.305 20 10 CGCDRO CCC[C@@H](C)[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839146289 626317080 /nfs/dbraw/zinc/31/70/80/626317080.db2.gz BKCOAJSEWUMFGL-GFCCVEGCSA-N 1 0 298.377 3.080 20 10 CGCDRO CCC1(C)C[NH+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000839143012 626322855 /nfs/dbraw/zinc/32/28/55/626322855.db2.gz NINYGYUDXLKGTE-UHFFFAOYSA-N 1 0 269.772 3.286 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@@]2(C)CC=CCC2)c1 ZINC000839190804 626328127 /nfs/dbraw/zinc/32/81/27/626328127.db2.gz CGGNIEZVHFMFHQ-INIZCTEOSA-N 1 0 261.365 3.379 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)CCC2(O)CCC2)cc1 ZINC000839459052 626354003 /nfs/dbraw/zinc/35/40/03/626354003.db2.gz FDBZYJAYPTZDJA-UHFFFAOYSA-N 1 0 290.451 3.270 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+][C@@]2(C)CCO[C@@H]2C)c1O ZINC000753577178 626456373 /nfs/dbraw/zinc/45/63/73/626456373.db2.gz RVEFYSSVYKHVRV-YGRLFVJLSA-N 1 0 269.772 3.011 20 10 CGCDRO CC[C@@]1(C)CC[N@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000754739651 626585895 /nfs/dbraw/zinc/58/58/95/626585895.db2.gz MCFKYTFLFWNOGX-INIZCTEOSA-N 1 0 263.381 3.331 20 10 CGCDRO CCN1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000756357239 626695816 /nfs/dbraw/zinc/69/58/16/626695816.db2.gz LTWRBZIHJGDNQZ-HUUCEWRRSA-N 1 0 276.424 3.144 20 10 CGCDRO COCCCC[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756419347 626704448 /nfs/dbraw/zinc/70/44/48/626704448.db2.gz FBJLPHMHETXVRO-JQWIXIFHSA-N 1 0 267.344 3.096 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]C[C@@H](C2CC2)N(C)C)c2c1c(F)ccc2O ZINC000756434007 626705673 /nfs/dbraw/zinc/70/56/73/626705673.db2.gz SUELLUFKUAJDBM-SWHYSGLUSA-N 1 0 292.398 3.009 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1CCCCO1)c1cc2c(cc1O)CCCC2 ZINC000756456218 626706972 /nfs/dbraw/zinc/70/69/72/626706972.db2.gz MVIKUPDRIMCGMG-XJKSGUPXSA-N 1 0 289.419 3.491 20 10 CGCDRO CC(C)C[C@@H](O)C[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000756497983 626709927 /nfs/dbraw/zinc/70/99/27/626709927.db2.gz SAMMNBDNXGBTDM-CMPLNLGQSA-N 1 0 271.788 3.103 20 10 CGCDRO CC(C)N(C)CC[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756525513 626711853 /nfs/dbraw/zinc/71/18/53/626711853.db2.gz PSPTYSJOJRXXQZ-DGCLKSJQSA-N 1 0 280.387 3.009 20 10 CGCDRO CCN(CC[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F)C1CC1 ZINC000756524581 626712093 /nfs/dbraw/zinc/71/20/93/626712093.db2.gz KXRXEJFEKLTAMR-SMDDNHRTSA-N 1 0 292.398 3.154 20 10 CGCDRO C[C@H]([NH2+]CCN1[C@H](C)CCC[C@@H]1C)c1cc(F)ccc1O ZINC000756554946 626714449 /nfs/dbraw/zinc/71/44/49/626714449.db2.gz OSRIWEWIBZTVOD-MJBXVCDLSA-N 1 0 294.414 3.445 20 10 CGCDRO CCC(CC)[C@H](O)C[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000756569479 626716468 /nfs/dbraw/zinc/71/64/68/626716468.db2.gz OVLOWBYNQCYAEP-CZUORRHYSA-N 1 0 279.424 3.457 20 10 CGCDRO C[C@H]([NH2+]CC1(O)CCCC1)c1cc2c(cc1O)CCCC2 ZINC000756575225 626716677 /nfs/dbraw/zinc/71/66/77/626716677.db2.gz NVXLNDYULIQHPV-ZDUSSCGKSA-N 1 0 289.419 3.227 20 10 CGCDRO CC[C@H](C)[C@](C)(O)C[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756579090 626717424 /nfs/dbraw/zinc/71/74/24/626717424.db2.gz YUIMPIJASIRIHP-NDBFUVGKSA-N 1 0 295.398 3.466 20 10 CGCDRO CCc1cc(C[NH2+][C@H](C)c2ccc(C)cc2O)on1 ZINC000756611497 626720298 /nfs/dbraw/zinc/72/02/98/626720298.db2.gz WJYFOYCOBMHJTQ-LLVKDONJSA-N 1 0 260.337 3.102 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1cc(F)cc(F)c1[O-] ZINC000756632847 626722145 /nfs/dbraw/zinc/72/21/45/626722145.db2.gz CWRWZRNGGQUYGT-WCFLWFBJSA-N 1 0 298.377 3.194 20 10 CGCDRO CO[C@]1(C)C[C@H]([NH2+][C@@H](C)c2cc(F)ccc2O)C1(C)C ZINC000756629179 626722253 /nfs/dbraw/zinc/72/22/53/626722253.db2.gz ZUOUFZLIGVXMSV-JMPLFQLZSA-N 1 0 281.371 3.386 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@]2(C)CCCO2)c(O)c1C ZINC000756647019 626724026 /nfs/dbraw/zinc/72/40/26/626724026.db2.gz PSWBBIOFIYQMBJ-CZUORRHYSA-N 1 0 263.381 3.229 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCNc2ccccc2)c(O)c1 ZINC000756642381 626724144 /nfs/dbraw/zinc/72/41/44/626724144.db2.gz NJFUAFSQRDMUFH-CQSZACIVSA-N 1 0 270.376 3.463 20 10 CGCDRO C[C@H]([NH2+][C@H](CCO)C1CC1)c1ccc2ccccc2c1O ZINC000756741224 626729476 /nfs/dbraw/zinc/72/94/76/626729476.db2.gz WENKATMBRZPDJN-YVEFUNNKSA-N 1 0 285.387 3.357 20 10 CGCDRO CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000756785576 626732108 /nfs/dbraw/zinc/73/21/08/626732108.db2.gz GGSBROXRCKINHC-SQWLQELKSA-N 1 0 277.408 3.475 20 10 CGCDRO CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000756788463 626732314 /nfs/dbraw/zinc/73/23/14/626732314.db2.gz VDBIIBHHNSUAOB-WOSRLPQWSA-N 1 0 263.381 3.166 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCc2ccc(CO)cc2)c1 ZINC000756792111 626732936 /nfs/dbraw/zinc/73/29/36/626732936.db2.gz YFLCXTMDJAZFCP-AWEZNQCLSA-N 1 0 285.387 3.086 20 10 CGCDRO COc1ccc(N(CCC[NH3+])Cc2cccs2)cc1 ZINC000020237534 634514474 /nfs/dbraw/zinc/51/44/74/634514474.db2.gz BWYLEWCXSGATJV-UHFFFAOYSA-N 1 0 276.405 3.112 20 10 CGCDRO COc1cccc(C[NH2+]CC(C)(C)[C@@H]2CCCCO2)c1O ZINC000758499629 626846447 /nfs/dbraw/zinc/84/64/47/626846447.db2.gz RYTOWUFHIJPBDL-HNNXBMFYSA-N 1 0 293.407 3.086 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCOC[C@H]2C)c2c1c(F)ccc2O ZINC000762647150 627119053 /nfs/dbraw/zinc/11/90/53/627119053.db2.gz DQBVOJZVYAWZLR-AAXDQBDMSA-N 1 0 279.355 3.094 20 10 CGCDRO CC[C@@H]1CN(c2ccccc2)CC[N@@H+]1Cc1ccccc1O ZINC000764678949 627218101 /nfs/dbraw/zinc/21/81/01/627218101.db2.gz PEVCMUQFKHVVIG-QGZVFWFLSA-N 1 0 296.414 3.493 20 10 CGCDRO CC[C@H]([NH2+]CCN1CCCCC1)c1ccc(N(C)C)cc1 ZINC000764810145 627225982 /nfs/dbraw/zinc/22/59/82/627225982.db2.gz NRAXDOVZRIUXGG-SFHVURJKSA-N 1 0 289.467 3.279 20 10 CGCDRO CN(C)c1ccc(C[N@H+](CCC(=O)C2CC2)C2CC2)cc1 ZINC000767347801 627399756 /nfs/dbraw/zinc/39/97/56/627399756.db2.gz FEDBEGJYRDANTH-UHFFFAOYSA-N 1 0 286.419 3.086 20 10 CGCDRO CCCN(CCC)c1ccc(C[N@H+](CC)CCO)cc1 ZINC000768141193 627462989 /nfs/dbraw/zinc/46/29/89/627462989.db2.gz RGFPIGLENXBSNI-UHFFFAOYSA-N 1 0 278.440 3.127 20 10 CGCDRO COc1cccc(O)c1C[N@H+](C)[C@@H](C)c1ccco1 ZINC000768263812 627471453 /nfs/dbraw/zinc/47/14/53/627471453.db2.gz WEIBIZJQAFJFDS-NSHDSACASA-N 1 0 261.321 3.187 20 10 CGCDRO CC[N@@H+](Cc1ccc(N(C)C)cc1)C[C@@H]1CCCOC1 ZINC000768532591 627484519 /nfs/dbraw/zinc/48/45/19/627484519.db2.gz BPSGCFRUSCDBCY-INIZCTEOSA-N 1 0 276.424 3.001 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H]2C2CC2)cc1F ZINC000769327427 627541991 /nfs/dbraw/zinc/54/19/91/627541991.db2.gz BGKWJDHBSQPKSO-HNNXBMFYSA-N 1 0 262.372 3.266 20 10 CGCDRO CCOc1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)c(O)c1 ZINC000769427091 627551172 /nfs/dbraw/zinc/55/11/72/627551172.db2.gz ZCKNUOFEEFAJEE-OKILXGFUSA-N 1 0 275.392 3.413 20 10 CGCDRO CCOc1ccc(C[N@@H+]2C[C@H](C)CC[C@@H]2C)c(O)c1 ZINC000769445665 627552917 /nfs/dbraw/zinc/55/29/17/627552917.db2.gz JZBUSCIDFDXMFJ-OLZOCXBDSA-N 1 0 263.381 3.411 20 10 CGCDRO CC[C@]1(C)CCC[N@H+](Cc2c(O)cccc2OC)C1 ZINC000769446307 627553050 /nfs/dbraw/zinc/55/30/50/627553050.db2.gz LOHWFIOJMFTJIS-MRXNPFEDSA-N 1 0 263.381 3.413 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000769498569 627560572 /nfs/dbraw/zinc/56/05/72/627560572.db2.gz LOGNGFWWHIAROE-CZUORRHYSA-N 1 0 293.432 3.261 20 10 CGCDRO CO[C@@]1(C)C[C@H]([N@H+](C)Cc2cc(C)ccc2O)C1(C)C ZINC000769549500 627565470 /nfs/dbraw/zinc/56/54/70/627565470.db2.gz SBCFEANIFRFHCB-RDJZCZTQSA-N 1 0 277.408 3.336 20 10 CGCDRO CC(C)OC1CC([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000769937134 627591016 /nfs/dbraw/zinc/59/10/16/627591016.db2.gz NASUEGLDKFRULA-UHFFFAOYSA-N 1 0 269.772 3.091 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000770285296 627612112 /nfs/dbraw/zinc/61/21/12/627612112.db2.gz FPQDERKVJJMZTA-SMDDNHRTSA-N 1 0 281.783 3.047 20 10 CGCDRO C[C@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)CC12CCC2 ZINC000770671033 627635992 /nfs/dbraw/zinc/63/59/92/627635992.db2.gz WMBGPSCWTGMZHS-LBPRGKRZSA-N 1 0 289.375 3.133 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CCCC3(CC3)C2)c(O)c1 ZINC000770678046 627636880 /nfs/dbraw/zinc/63/68/80/627636880.db2.gz XTSFNYDEGLNEOC-UHFFFAOYSA-N 1 0 261.365 3.167 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)c(O)c1 ZINC000772597349 627804900 /nfs/dbraw/zinc/80/49/00/627804900.db2.gz DDHYPQRKULXNKS-MRXNPFEDSA-N 1 0 286.375 3.456 20 10 CGCDRO CC[C@@H](O)CCC[NH2+][C@H](C)c1ccc(N(C)CC)cc1 ZINC000773012941 627842643 /nfs/dbraw/zinc/84/26/43/627842643.db2.gz FDLSFHMDAMICKF-RHSMWYFYSA-N 1 0 278.440 3.344 20 10 CGCDRO CC[C@@H](O)CCC[NH2+][C@H](CC)c1ccc(N(C)C)cc1 ZINC000773016698 627842689 /nfs/dbraw/zinc/84/26/89/627842689.db2.gz QOXRHSAKDIBIIK-IAGOWNOFSA-N 1 0 278.440 3.344 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)cc1 ZINC000773887222 627925171 /nfs/dbraw/zinc/92/51/71/627925171.db2.gz DZPRHWLNYVIPNJ-SOUVJXGZSA-N 1 0 276.424 3.140 20 10 CGCDRO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1cc(OC)c(C)cc1O ZINC000774621439 628009773 /nfs/dbraw/zinc/00/97/73/628009773.db2.gz QJHIFEYRLKLMHJ-RISCZKNCSA-N 1 0 263.381 3.330 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2CCC[C@H]2OC)cc1 ZINC000774830924 628036153 /nfs/dbraw/zinc/03/61/53/628036153.db2.gz GMJQHRHOXRJZDY-SJLPKXTDSA-N 1 0 290.451 3.438 20 10 CGCDRO CCN(C(=O)C[NH2+][C@H](C)c1ccccc1O)c1ccccc1 ZINC000775130560 628066480 /nfs/dbraw/zinc/06/64/80/628066480.db2.gz LSKHIJLLVZOKQB-CQSZACIVSA-N 1 0 298.386 3.096 20 10 CGCDRO COc1cccc(C[N@H+](C)Cc2cc(C)ccc2F)c1O ZINC000775168273 628068943 /nfs/dbraw/zinc/06/89/43/628068943.db2.gz PLAKVZIRKWNSLL-UHFFFAOYSA-N 1 0 289.350 3.480 20 10 CGCDRO C[C@H]([NH2+]C[Si](C)(C)C)c1ccc(N2CCOCC2)cc1 ZINC000775258794 628076003 /nfs/dbraw/zinc/07/60/03/628076003.db2.gz BPHJDUAJQXFFJC-AWEZNQCLSA-N 1 0 292.499 3.051 20 10 CGCDRO CCCn1cc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000775363902 628086534 /nfs/dbraw/zinc/08/65/34/628086534.db2.gz NJLUTLUJISHCJY-AWEZNQCLSA-N 1 0 286.423 3.210 20 10 CGCDRO CC[C@H]([NH2+]C[C@H]1CCOC1)c1cc(Cl)ccc1O ZINC000775489760 628100081 /nfs/dbraw/zinc/10/00/81/628100081.db2.gz RUYUSUHKCJGPJO-MFKMUULPSA-N 1 0 269.772 3.123 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H]1CCOC1)c1cc(Cl)ccc1O ZINC000775489761 628100592 /nfs/dbraw/zinc/10/05/92/628100592.db2.gz RUYUSUHKCJGPJO-ZWNOBZJWSA-N 1 0 269.772 3.123 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1[C@@H](C)[C@@H](OC)C1(C)C)c1ccccc1O ZINC000775532837 628104311 /nfs/dbraw/zinc/10/43/11/628104311.db2.gz ZKDQUMPHHGRLMH-WXYCVUISSA-N 1 0 277.408 3.492 20 10 CGCDRO CCN1CCC([N@H+](C)Cc2cc(Cl)cc(C)c2O)CC1 ZINC000775647858 628119195 /nfs/dbraw/zinc/11/91/95/628119195.db2.gz FIXIZCLPKUFTKU-UHFFFAOYSA-N 1 0 296.842 3.270 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CC3C[C@@H]4CC2C[C@H](C3)C4)c1 ZINC000775660699 628121283 /nfs/dbraw/zinc/12/12/83/628121283.db2.gz IIPURXXXKPEICA-KKNUOHPOSA-N 1 0 287.403 3.411 20 10 CGCDRO COc1ccnc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775832726 628140460 /nfs/dbraw/zinc/14/04/60/628140460.db2.gz AUTAJZSRJVBKJV-CYBMUJFWSA-N 1 0 285.391 3.007 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H](c2cnn(C)c2)C(C)(C)C)c1O ZINC000776231104 628182889 /nfs/dbraw/zinc/18/28/89/628182889.db2.gz LNBQWRQQZXKPEC-INIZCTEOSA-N 1 0 287.407 3.311 20 10 CGCDRO Cc1cccc(C[NH2+]CC(C)(C)[C@H]2CCCCO2)c1O ZINC000776248785 628183731 /nfs/dbraw/zinc/18/37/31/628183731.db2.gz OTVIIZAHMJRVKV-OAHLLOKOSA-N 1 0 277.408 3.386 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+][C@@]2(C)CCCOC2)c1O ZINC000777504896 628276449 /nfs/dbraw/zinc/27/64/49/628276449.db2.gz BKRYNQPTLLFHKC-AWEZNQCLSA-N 1 0 269.772 3.013 20 10 CGCDRO Cc1cccc(OCC[N@@H+](C)Cc2cc(F)ccc2O)c1 ZINC000778995326 628381937 /nfs/dbraw/zinc/38/19/37/628381937.db2.gz UQIMXOZDVGBCNL-UHFFFAOYSA-N 1 0 289.350 3.351 20 10 CGCDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@H]1Cc1ccccc1 ZINC000779022794 628383352 /nfs/dbraw/zinc/38/33/52/628383352.db2.gz GVDLUWHYQVKPGK-INIZCTEOSA-N 1 0 271.335 3.348 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](OCC3CC3)C2)cc1 ZINC000779188177 628393136 /nfs/dbraw/zinc/39/31/36/628393136.db2.gz HBNWWRLGRJXIQY-SFHVURJKSA-N 1 0 288.435 3.144 20 10 CGCDRO CCOc1ccc(C[NH+]2CCC(C)(COC)CC2)c(O)c1 ZINC000779606145 628417929 /nfs/dbraw/zinc/41/79/29/628417929.db2.gz MSBMYUOSBYWNHY-UHFFFAOYSA-N 1 0 293.407 3.039 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2CCC=CO2)cc1F ZINC000780566023 628501332 /nfs/dbraw/zinc/50/13/32/628501332.db2.gz HUDPPPWYUHVTCT-OAHLLOKOSA-N 1 0 292.398 3.454 20 10 CGCDRO CCC1(C[NH2+]Cc2ccc(N(C)C)cc2C)CCOCC1 ZINC000781415953 628558788 /nfs/dbraw/zinc/55/87/88/628558788.db2.gz QRMUFBDZZSCMRW-UHFFFAOYSA-N 1 0 290.451 3.357 20 10 CGCDRO C[C@@H]1CC[C@H]1[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000783220264 628688884 /nfs/dbraw/zinc/68/88/84/628688884.db2.gz BWBYUJMMIISXMJ-CZUORRHYSA-N 1 0 276.449 3.128 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)c1nccnc1C ZINC000783247431 628694260 /nfs/dbraw/zinc/69/42/60/628694260.db2.gz WXFBXLKWXLWOKP-AWEZNQCLSA-N 1 0 284.407 3.010 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)CCCC3)[C@@H](C)[C@H](C)O1 ZINC000783537716 628723356 /nfs/dbraw/zinc/72/33/56/628723356.db2.gz BZUZGKUUEIKAGT-RDBSUJKOSA-N 1 0 289.419 3.269 20 10 CGCDRO C[C@H]1COc2ccccc2C[N@@H+]1Cc1ccccc1O ZINC000783596793 628730320 /nfs/dbraw/zinc/73/03/20/628730320.db2.gz IGQHEYYOKKRODX-ZDUSSCGKSA-N 1 0 269.344 3.175 20 10 CGCDRO COc1ccncc1C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000805750453 628742143 /nfs/dbraw/zinc/74/21/43/628742143.db2.gz LRLUYAYHWGLQNC-CYBMUJFWSA-N 1 0 285.391 3.007 20 10 CGCDRO Cc1ccccc1[C@@H]([C@H](C)[NH2+]Cc1ccccc1O)N(C)C ZINC000785561619 628870808 /nfs/dbraw/zinc/87/08/08/628870808.db2.gz ZSXBARKGDZFWFM-HNAYVOBHSA-N 1 0 298.430 3.482 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@](C)(O)C(C)C)c(O)c1 ZINC000788590200 629066552 /nfs/dbraw/zinc/06/65/52/629066552.db2.gz FIPZHRTWECOIBS-CJNGLKHVSA-N 1 0 265.397 3.067 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@](C)(O)C(C)C)c(O)c1 ZINC000788590171 629066913 /nfs/dbraw/zinc/06/69/13/629066913.db2.gz FIPZHRTWECOIBS-BBRMVZONSA-N 1 0 265.397 3.067 20 10 CGCDRO CC[C@H](C)[C@](C)(O)C[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000788594624 629067359 /nfs/dbraw/zinc/06/73/59/629067359.db2.gz WYRBUUJLRCKOHU-GRDNDAEWSA-N 1 0 279.424 3.457 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCN2CCC[C@H]2C)c(O)c1 ZINC000788614633 629069796 /nfs/dbraw/zinc/06/97/96/629069796.db2.gz TUSSIMXFNYRAQD-HUUCEWRRSA-N 1 0 276.424 3.144 20 10 CGCDRO CC[C@H]([NH2+]C[C@H]1CC[C@@H](O)C1)c1cc(Cl)ccc1O ZINC000788984254 629094066 /nfs/dbraw/zinc/09/40/66/629094066.db2.gz JGDNANWNDSYISK-SUHUHFCYSA-N 1 0 283.799 3.247 20 10 CGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1)CCC2 ZINC000789510664 629141534 /nfs/dbraw/zinc/14/15/34/629141534.db2.gz BVZHEBBTPLWQNC-SJLPKXTDSA-N 1 0 287.403 3.024 20 10 CGCDRO CCn1ccc(C[N@H+](C)Cc2cc(C)cc(OC)c2O)c1 ZINC000790452201 629211483 /nfs/dbraw/zinc/21/14/83/629211483.db2.gz VDXLDMLEKGAQIW-UHFFFAOYSA-N 1 0 288.391 3.163 20 10 CGCDRO CCn1ccc(C[N@H+](C)Cc2cc(OC)c(C)cc2O)c1 ZINC000790448132 629211497 /nfs/dbraw/zinc/21/14/97/629211497.db2.gz ZWYDOUZIMZHEQD-UHFFFAOYSA-N 1 0 288.391 3.163 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]C[C@H]2CCSC2)c2c1c(F)ccc2O ZINC000790495636 629213482 /nfs/dbraw/zinc/21/34/82/629213482.db2.gz JUTBFQNNYXHEAA-FOGDFJRCSA-N 1 0 281.396 3.422 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCSC2)c(O)c1C ZINC000790495821 629213703 /nfs/dbraw/zinc/21/37/03/629213703.db2.gz BUKAUOMQRVVPCV-QWHCGFSZSA-N 1 0 265.422 3.413 20 10 CGCDRO CC[N@@H+](Cc1cc(F)c(N(C)C)cc1F)C[C@@H]1CCCO1 ZINC000862231248 629327308 /nfs/dbraw/zinc/32/73/08/629327308.db2.gz FWSJHSLBEVZDBK-ZDUSSCGKSA-N 1 0 298.377 3.032 20 10 CGCDRO COC1(C[N@H+](C)Cc2ccccc2O)CCCCC1 ZINC000792166734 629344008 /nfs/dbraw/zinc/34/40/08/629344008.db2.gz GJGVBDBDMRHMOZ-UHFFFAOYSA-N 1 0 263.381 3.173 20 10 CGCDRO C[C@@H]1CCSCC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000792197193 629348530 /nfs/dbraw/zinc/34/85/30/629348530.db2.gz PMLDGUAHGSBBGN-GFCCVEGCSA-N 1 0 282.428 3.219 20 10 CGCDRO Oc1c(C[NH2+]CC[C@H]2CCCOC2)ccc2ccccc21 ZINC000862434388 629371748 /nfs/dbraw/zinc/37/17/48/629371748.db2.gz YTVTUZHMGTXGNR-CQSZACIVSA-N 1 0 285.387 3.452 20 10 CGCDRO C[C@@H]1CSCC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000792720931 629377263 /nfs/dbraw/zinc/37/72/63/629377263.db2.gz VAECUSKGLSSQEN-ZDUSSCGKSA-N 1 0 291.460 3.456 20 10 CGCDRO Cc1cccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H]2C)c1O ZINC000793230599 629433542 /nfs/dbraw/zinc/43/35/42/629433542.db2.gz GWKOFLHYQZRHTI-PWSUYJOCSA-N 1 0 273.298 3.473 20 10 CGCDRO COc1cccc(O)c1C[NH2+]CC1(OC)CCC(C)CC1 ZINC000793291295 629440392 /nfs/dbraw/zinc/44/03/92/629440392.db2.gz OJOITPJUYMQSHM-UHFFFAOYSA-N 1 0 293.407 3.086 20 10 CGCDRO COc1ccc(CNC2CC([NH+]3CCCCC3)C2)cc1C ZINC000793336995 629444665 /nfs/dbraw/zinc/44/46/65/629444665.db2.gz QCJYIZSTMAHOGJ-UHFFFAOYSA-N 1 0 288.435 3.110 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](C)CSC(C)(C)C)c(O)c1 ZINC000793386286 629452532 /nfs/dbraw/zinc/45/25/32/629452532.db2.gz KFAKYCNPZBUUGS-NSHDSACASA-N 1 0 283.437 3.411 20 10 CGCDRO Oc1cc2c(cc1C[N@H+](CC1CC1)CC1CCC1)OCO2 ZINC000793388778 629452675 /nfs/dbraw/zinc/45/26/75/629452675.db2.gz ISSIIMUBJANCCG-UHFFFAOYSA-N 1 0 289.375 3.133 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCC2(C)C)cc1F ZINC000793530798 629477227 /nfs/dbraw/zinc/47/72/27/629477227.db2.gz YKXBVECTGMYYPZ-AWEZNQCLSA-N 1 0 250.361 3.170 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCOC[C@@H](C3CCC3)C2)cc1C ZINC000793743039 629500042 /nfs/dbraw/zinc/50/00/42/629500042.db2.gz NUPIMFBNWBEXIZ-KRWDZBQOSA-N 1 0 289.419 3.258 20 10 CGCDRO CC[C@H]([NH2+]CCC(=O)OC(C)(C)C)c1ccc(C)cc1O ZINC000794801785 629579461 /nfs/dbraw/zinc/57/94/61/629579461.db2.gz LFIMHNBRZBQQOL-AWEZNQCLSA-N 1 0 293.407 3.473 20 10 CGCDRO CC[C@@H]([NH2+][C@H](CO)CC(F)(F)F)c1ccc(C)cc1O ZINC000794817125 629581654 /nfs/dbraw/zinc/58/16/54/629581654.db2.gz PJDPILZAEOKJAY-CMPLNLGQSA-N 1 0 291.313 3.055 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@H+]2C[C@@H](N3CCCC3)C[C@@H]2C)c1 ZINC000795705961 629710613 /nfs/dbraw/zinc/71/06/13/629710613.db2.gz JQVSRQRFADCZHS-RDJZCZTQSA-N 1 0 288.435 3.068 20 10 CGCDRO Cc1cc(O)c(CNc2[nH+]ccn2CC(C)C)cc1C ZINC000795805390 629717435 /nfs/dbraw/zinc/71/74/35/629717435.db2.gz JDXUTIPIVHWANN-UHFFFAOYSA-N 1 0 273.380 3.474 20 10 CGCDRO CCOCc1cc(C[NH2+][C@H]2CSC[C@@H]2C)ccc1OC ZINC000796484887 629789250 /nfs/dbraw/zinc/78/92/50/629789250.db2.gz WAKUIMCOOZMEFB-WFASDCNBSA-N 1 0 295.448 3.073 20 10 CGCDRO Cc1ccc([C@@H](O)[C@H](C)[NH2+]Cc2cc(C)ccc2O)cc1 ZINC000796483987 629789389 /nfs/dbraw/zinc/78/93/89/629789389.db2.gz MOACTFQFEVBXIK-KSSFIOAISA-N 1 0 285.387 3.221 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCc2ccco2)c(O)c1C ZINC000119882023 629790304 /nfs/dbraw/zinc/79/03/04/629790304.db2.gz RMYORSJJPRGWAQ-ZDUSSCGKSA-N 1 0 259.349 3.495 20 10 CGCDRO COc1cccc(C[NH2+]C(C)(C)c2c(C)noc2C)c1O ZINC000796527688 629795464 /nfs/dbraw/zinc/79/54/64/629795464.db2.gz IIMGXLSVIPHSHG-UHFFFAOYSA-N 1 0 290.363 3.031 20 10 CGCDRO CCCN1CCC[C@H]1C[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000797116749 629891022 /nfs/dbraw/zinc/89/10/22/629891022.db2.gz YKFGBMBWOZSYRD-GJZGRUSLSA-N 1 0 276.424 3.226 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CC[C@H](c3ccccn3)C2)c1O ZINC000799159691 630151480 /nfs/dbraw/zinc/15/14/80/630151480.db2.gz KZJVDMBDWXVBNJ-AWEZNQCLSA-N 1 0 298.386 3.094 20 10 CGCDRO c1csc(SCCC[NH2+][C@H]2CCC23CCOCC3)n1 ZINC000800480859 630285190 /nfs/dbraw/zinc/28/51/90/630285190.db2.gz UMVDLPUEKIMGNN-LBPRGKRZSA-N 1 0 298.477 3.174 20 10 CGCDRO Cn1cc(-c2ccc(C[NH2+]Cc3ccccc3O)s2)cn1 ZINC000800885505 630308801 /nfs/dbraw/zinc/30/88/01/630308801.db2.gz GJUHLGXLMQVRMR-UHFFFAOYSA-N 1 0 299.399 3.144 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CC[C@@H]2C2CCC2)cc1 ZINC000800965637 630314149 /nfs/dbraw/zinc/31/41/49/630314149.db2.gz NPCCOCURVKMOFA-IAGOWNOFSA-N 1 0 258.409 3.421 20 10 CGCDRO c1cc(C[NH2+][C@H]2CC[C@H]2C2CCC2)cc2c1OCC2 ZINC000800968861 630314214 /nfs/dbraw/zinc/31/42/14/630314214.db2.gz DMIISSJBGJYCRX-HOTGVXAUSA-N 1 0 257.377 3.290 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCCOC(F)F)c(O)c1C ZINC000800990425 630318127 /nfs/dbraw/zinc/31/81/27/630318127.db2.gz SRTUIXRWOPLZJQ-LLVKDONJSA-N 1 0 273.323 3.289 20 10 CGCDRO CCCC[N@H+](Cc1ccccc1O)[C@H](C)c1nc(C)no1 ZINC000801596865 630346338 /nfs/dbraw/zinc/34/63/38/630346338.db2.gz RGMKFABLTTTYOV-GFCCVEGCSA-N 1 0 289.379 3.447 20 10 CGCDRO CCCC[N@H+](Cc1ccccc1O)[C@H](C)CCOC ZINC000801599201 630346838 /nfs/dbraw/zinc/34/68/38/630346838.db2.gz FGLUUEOPDKODJN-CQSZACIVSA-N 1 0 265.397 3.419 20 10 CGCDRO C[C@H]1CC(CC[NH2+]Cc2ccccc2O)C[C@H](C)O1 ZINC000801732664 630354126 /nfs/dbraw/zinc/35/41/26/630354126.db2.gz SKZPYDZGEHMYSX-STQMWFEESA-N 1 0 263.381 3.076 20 10 CGCDRO Cc1ncc([C@@H](C)[NH2+]Cc2cc(C)ccc2O)s1 ZINC000865701716 630396672 /nfs/dbraw/zinc/39/66/72/630396672.db2.gz PWHRUZGOVWGXEW-SNVBAGLBSA-N 1 0 262.378 3.316 20 10 CGCDRO CC(C)[C@@H](CO)C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000806169791 630552998 /nfs/dbraw/zinc/55/29/98/630552998.db2.gz QUHPFHYFAPHRLG-XJKSGUPXSA-N 1 0 291.435 3.186 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](C)CCO)c1O ZINC000808698410 630666264 /nfs/dbraw/zinc/66/62/64/630666264.db2.gz OVTCDBVKWBWUTH-MWLCHTKSSA-N 1 0 271.788 3.023 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](CCO)C(C)C)c1O ZINC000808699457 630666683 /nfs/dbraw/zinc/66/66/83/630666683.db2.gz HHMHAXRECTVIHL-RISCZKNCSA-N 1 0 285.815 3.412 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](CO)C(C)C)c1O ZINC000808718420 630670352 /nfs/dbraw/zinc/67/03/52/630670352.db2.gz OASJCBWLURBEEW-NEPJUHHUSA-N 1 0 285.815 3.269 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+][C@H]2CSC[C@@H]2C)c1O ZINC000809702517 630787364 /nfs/dbraw/zinc/78/73/64/630787364.db2.gz HMGXKXNWTJUPQT-CABZTGNLSA-N 1 0 271.813 3.195 20 10 CGCDRO COc1cccc(C[NH+]2CCC(c3cccnc3)CC2)c1O ZINC000809737381 630794723 /nfs/dbraw/zinc/79/47/23/630794723.db2.gz GTWCMGTYUMIAEN-UHFFFAOYSA-N 1 0 298.386 3.175 20 10 CGCDRO COc1cccc(C[NH2+]Cc2ccc3occc3c2)c1O ZINC000809740035 630796196 /nfs/dbraw/zinc/79/61/96/630796196.db2.gz KGCXGIQQQCUXPF-UHFFFAOYSA-N 1 0 283.327 3.437 20 10 CGCDRO CCCC[C@H](CC)[NH2+]Cc1cccc(OC)c1O ZINC000809739970 630796578 /nfs/dbraw/zinc/79/65/78/630796578.db2.gz JBACJTVNCMACBQ-ZDUSSCGKSA-N 1 0 251.370 3.459 20 10 CGCDRO COc1cccc(C[NH2+][C@@H]2CCC[C@@H]2C(C)C)c1O ZINC000809739836 630796841 /nfs/dbraw/zinc/79/68/41/630796841.db2.gz FHENXCBCSIRMCR-ZIAGYGMSSA-N 1 0 263.381 3.315 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+](C)[C@@H](CO)CC(C)C)c1O ZINC000809767987 630804248 /nfs/dbraw/zinc/80/42/48/630804248.db2.gz ZNBMWMNXKKBTQL-CQSZACIVSA-N 1 0 285.815 3.193 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H](C)OC)c1ccc(C(F)(F)F)cc1O ZINC000810237216 630856632 /nfs/dbraw/zinc/85/66/32/630856632.db2.gz ABTGFJMTCPKKHS-BXKDBHETSA-N 1 0 291.313 3.487 20 10 CGCDRO CO[C@H](C)[C@@H](C)[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000810257254 630860443 /nfs/dbraw/zinc/86/04/43/630860443.db2.gz ORBHPUFNYANIOR-DNRKLUKYSA-N 1 0 267.344 3.093 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+][C@H](CO)C2CCCC2)c2c1c(F)ccc2O ZINC000810259898 630861533 /nfs/dbraw/zinc/86/15/33/630861533.db2.gz WPBZQGFYBTXHMZ-DDTOSNHZSA-N 1 0 293.382 3.220 20 10 CGCDRO COc1cccc(CNc2cc3c(c[nH+]2)CCCC3)c1O ZINC000812782305 631308404 /nfs/dbraw/zinc/30/84/04/631308404.db2.gz VYEOIUZRXRCOHK-UHFFFAOYSA-N 1 0 284.359 3.287 20 10 CGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H]2CC3CCC2CC3)c1O ZINC000814652323 631617344 /nfs/dbraw/zinc/61/73/44/631617344.db2.gz WTCIQXBHIABHMD-ZEPSKSRBSA-N 1 0 291.366 3.402 20 10 CGCDRO Cc1cc(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)ccc1N(C)C ZINC000815061480 631708789 /nfs/dbraw/zinc/70/87/89/631708789.db2.gz WGGOFJMIYWINJS-WMZOPIPTSA-N 1 0 288.435 3.062 20 10 CGCDRO Cc1cc(C[N@H+]2C[C@H](C)O[C@@H](C)[C@@H]2C)ccc1N(C)C ZINC000815099581 631716871 /nfs/dbraw/zinc/71/68/71/631716871.db2.gz LBJCEAVJMSODIK-KKUMJFAQSA-N 1 0 276.424 3.059 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@](C)(OC)C2)cc1 ZINC000815103959 631717507 /nfs/dbraw/zinc/71/75/07/631717507.db2.gz WMPWIDLHLDOHHN-QGZVFWFLSA-N 1 0 276.424 3.144 20 10 CGCDRO Cc1cc(C[N@H+]2CC[C@H](C)C[C@H]2[C@@H](C)O)ccc1N(C)C ZINC000815100816 631717538 /nfs/dbraw/zinc/71/75/38/631717538.db2.gz XNOFKKSRZFFIPH-JOQOYGCGSA-N 1 0 290.451 3.042 20 10 CGCDRO CCC[C@@]1(CO)CCC[N@@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000815103351 631718001 /nfs/dbraw/zinc/71/80/01/631718001.db2.gz RYYQZPISOHFCCQ-SFHVURJKSA-N 1 0 290.451 3.188 20 10 CGCDRO Cc1cc(C[N@@H+]2CC[C@@H](c3ccccn3)C2)ccc1N(C)C ZINC000815107952 631718598 /nfs/dbraw/zinc/71/85/98/631718598.db2.gz PQWCNHYWFMTZGO-QGZVFWFLSA-N 1 0 295.430 3.446 20 10 CGCDRO Cc1cc(C[N@@H+](CC2CCC2)[C@@H](C)CO)ccc1N(C)C ZINC000815106571 631719019 /nfs/dbraw/zinc/71/90/19/631719019.db2.gz WFFODPIUZFUHKZ-HNNXBMFYSA-N 1 0 290.451 3.044 20 10 CGCDRO CCOc1ccc(CNc2cc3c(c[nH+]2)CCC3)c(O)c1 ZINC000815159412 631732362 /nfs/dbraw/zinc/73/23/62/631732362.db2.gz SYEAGMJFOAJQBQ-UHFFFAOYSA-N 1 0 284.359 3.287 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1COc2ccccc2C1 ZINC000815580417 631799005 /nfs/dbraw/zinc/79/90/05/631799005.db2.gz JZMOLOSMRVXYQA-QGZVFWFLSA-N 1 0 296.414 3.154 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2ncccc2F)c(O)c1 ZINC000815598173 631803734 /nfs/dbraw/zinc/80/37/34/631803734.db2.gz OLRGMHOHOOOLOS-GFCCVEGCSA-N 1 0 274.339 3.394 20 10 CGCDRO CC[C@@H](C[NH2+][C@H](C)c1c(C)cc(C)cc1O)OC ZINC000815628009 631808581 /nfs/dbraw/zinc/80/85/81/631808581.db2.gz PBJWBDUBXJYXJU-OLZOCXBDSA-N 1 0 251.370 3.085 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)C(C)(C)O ZINC000815652288 631813881 /nfs/dbraw/zinc/81/38/81/631813881.db2.gz WJXSGNUKIXDRMD-YVEFUNNKSA-N 1 0 291.435 3.471 20 10 CGCDRO CN(C)[C@@H]1CCC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816501309 631996493 /nfs/dbraw/zinc/99/64/93/631996493.db2.gz FBMTVAJMLDMNLV-MRXNPFEDSA-N 1 0 284.403 3.071 20 10 CGCDRO COCC1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC000816504183 631996544 /nfs/dbraw/zinc/99/65/44/631996544.db2.gz BURSHYLUFFLOSW-UHFFFAOYSA-N 1 0 285.387 3.404 20 10 CGCDRO Oc1c(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)ccc2ccccc21 ZINC000816516834 632002164 /nfs/dbraw/zinc/00/21/64/632002164.db2.gz SNPCDCLAZAKWPK-NVXWUHKLSA-N 1 0 297.398 3.404 20 10 CGCDRO Oc1c(C[NH2+]Cc2cccnc2)ccc2ccccc21 ZINC000816528918 632004148 /nfs/dbraw/zinc/00/41/48/632004148.db2.gz XXCMHRLFJRCPDN-UHFFFAOYSA-N 1 0 264.328 3.230 20 10 CGCDRO Oc1c(C[NH2+]C[C@@H](O)c2ccccc2)ccc2ccccc21 ZINC000816529538 632004351 /nfs/dbraw/zinc/00/43/51/632004351.db2.gz WQPGAEKYFXJIAC-GOSISDBHSA-N 1 0 293.366 3.369 20 10 CGCDRO CCCCOCC[NH2+]Cc1ccc2ccccc2c1O ZINC000816543040 632007649 /nfs/dbraw/zinc/00/76/49/632007649.db2.gz LSXBUBDXRMRWES-UHFFFAOYSA-N 1 0 273.376 3.452 20 10 CGCDRO Oc1c(C[NH2+]CCOCC2CC2)ccc2ccccc21 ZINC000816549242 632008665 /nfs/dbraw/zinc/00/86/65/632008665.db2.gz IOPSFROZOYOIFA-UHFFFAOYSA-N 1 0 271.360 3.062 20 10 CGCDRO Oc1c(C[NH2+]C[C@@H]2CCCC[C@H]2O)ccc2ccccc21 ZINC000816552317 632009755 /nfs/dbraw/zinc/00/97/55/632009755.db2.gz IIMFTTJWDURZRJ-WMLDXEAASA-N 1 0 285.387 3.186 20 10 CGCDRO CO[C@@H]1C[C@@H]([NH2+]Cc2ccc3ccccc3c2O)C1(C)C ZINC000816554704 632010189 /nfs/dbraw/zinc/01/01/89/632010189.db2.gz HCODNJWVWBFXTD-HZPDHXFCSA-N 1 0 285.387 3.449 20 10 CGCDRO OCCCCCC[NH2+]Cc1ccc2ccccc2c1O ZINC000816560228 632013184 /nfs/dbraw/zinc/01/31/84/632013184.db2.gz ITZIBGCAHMHENA-UHFFFAOYSA-N 1 0 273.376 3.188 20 10 CGCDRO Oc1c(C[N@@H+]2CCCSCC2)ccc2ccccc21 ZINC000816564748 632013416 /nfs/dbraw/zinc/01/34/16/632013416.db2.gz OUJWNKACRTVLSH-UHFFFAOYSA-N 1 0 273.401 3.484 20 10 CGCDRO COc1cccc(C[N@@H+]2CC(C)(C)[C@H]2C(C)C)c1O ZINC000816625122 632026726 /nfs/dbraw/zinc/02/67/26/632026726.db2.gz RZIAQFBAAWVDLK-OAHLLOKOSA-N 1 0 263.381 3.267 20 10 CGCDRO Cc1cc(Br)cc(C[NH2+]CC[C@@H](C)F)c1O ZINC000816643515 632029823 /nfs/dbraw/zinc/02/98/23/632029823.db2.gz HUMNVBQZBSIHOO-SECBINFHSA-N 1 0 290.176 3.301 20 10 CGCDRO CC[C@@H]1C[C@@H]([NH2+]Cc2c(O)cccc2Cl)CCO1 ZINC000817414673 632145370 /nfs/dbraw/zinc/14/53/70/632145370.db2.gz HZEZVSZKTCTXLJ-WDEREUQCSA-N 1 0 269.772 3.093 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1CCO[C@H](CC)C1)c1ccccc1O ZINC000817415783 632146859 /nfs/dbraw/zinc/14/68/59/632146859.db2.gz YSVBKUHHKAATMA-UMVBOHGHSA-N 1 0 263.381 3.391 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](C)C1(OC)CCOCC1)c1ccccc1O ZINC000817420324 632148203 /nfs/dbraw/zinc/14/82/03/632148203.db2.gz RRHUQXURSJAJLS-DZGCQCFKSA-N 1 0 293.407 3.017 20 10 CGCDRO CC[C@@H]([NH2+]C1CCN(OC)CC1)c1cc(Cl)ccc1O ZINC000817589492 632192883 /nfs/dbraw/zinc/19/28/83/632192883.db2.gz YFLFHLDQKXCGJQ-CQSZACIVSA-N 1 0 298.814 3.112 20 10 CGCDRO CN(C)c1ccc([C@@H]([NH3+])CN[C@@H]2CCCc3occc32)cc1 ZINC000817942236 632240523 /nfs/dbraw/zinc/24/05/23/632240523.db2.gz NEFMXYLMCZIPLU-DLBZAZTESA-N 1 0 299.418 3.013 20 10 CGCDRO C[C@@H](N[C@H]1CCC[NH2+]C1)c1ccc(N2CCCCC2)cc1 ZINC000817942423 632240571 /nfs/dbraw/zinc/24/05/71/632240571.db2.gz YLLBIMJDVNFODR-WBVHZDCISA-N 1 0 287.451 3.080 20 10 CGCDRO C[C@@H]([NH2+]CC[C@H](C)[NH3+])c1cc(Cl)c(Cl)cc1[O-] ZINC000817952780 632247948 /nfs/dbraw/zinc/24/79/48/632247948.db2.gz MMFRZDRFJGZDTL-JGVFFNPUSA-N 1 0 277.195 3.087 20 10 CGCDRO CC[C@H](Cc1cccs1)[NH2+]CCc1ccc(N)cc1 ZINC000817956231 632251253 /nfs/dbraw/zinc/25/12/53/632251253.db2.gz UMAXUPNHDOFKLL-OAHLLOKOSA-N 1 0 274.433 3.484 20 10 CGCDRO CC(=O)Nc1ccc([C@@H](C)[NH2+]CCc2ccc(N)cc2)cc1 ZINC000817957394 632252046 /nfs/dbraw/zinc/25/20/46/632252046.db2.gz LWFWALCURVLSMA-CYBMUJFWSA-N 1 0 297.402 3.121 20 10 CGCDRO Nc1ccc(CC[NH2+][C@H](c2cncc(F)c2)C2CC2)cc1 ZINC000817956747 632252114 /nfs/dbraw/zinc/25/21/14/632252114.db2.gz BXGLMWMBZRSICF-KRWDZBQOSA-N 1 0 285.366 3.086 20 10 CGCDRO CCCCO[C@H]1C[C@H]([NH2+]CCc2ccc(N)cc2)C1(C)C ZINC000817956735 632252210 /nfs/dbraw/zinc/25/22/10/632252210.db2.gz BMHVMJJAQQVPQF-IRXDYDNUSA-N 1 0 290.451 3.385 20 10 CGCDRO Nc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2CCCF)cc1 ZINC000817958219 632253293 /nfs/dbraw/zinc/25/32/93/632253293.db2.gz TYDMEMZGQQIKQH-GDBMZVCRSA-N 1 0 264.388 3.319 20 10 CGCDRO Nc1ccc(CC[NH2+][C@@H]2CCCc3ccccc3C2)cc1 ZINC000817958106 632253624 /nfs/dbraw/zinc/25/36/24/632253624.db2.gz SBRRDEZGAZYVOL-LJQANCHMSA-N 1 0 280.415 3.349 20 10 CGCDRO C[C@@H]([NH2+][C@H](CN)C1CCCCC1)c1ccc(N(C)C)cc1 ZINC000817960392 632255977 /nfs/dbraw/zinc/25/59/77/632255977.db2.gz YNFFQTSUISPVLU-RDTXWAMCSA-N 1 0 289.467 3.311 20 10 CGCDRO CCCC[C@@H](CN)[NH2+][C@@H](CC)c1ccc(N(C)C)cc1 ZINC000817962525 632257515 /nfs/dbraw/zinc/25/75/15/632257515.db2.gz JNWNHIIRVRYFCZ-RDJZCZTQSA-N 1 0 277.456 3.311 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)CCCC[NH3+])c1ccc(F)cc1[O-] ZINC000817976739 632267633 /nfs/dbraw/zinc/26/76/33/632267633.db2.gz SSJPHMCYBPLQBS-RISCZKNCSA-N 1 0 268.376 3.090 20 10 CGCDRO C[C@H]([NH3+])[C@H](C)N[C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000817978087 632268558 /nfs/dbraw/zinc/26/85/58/632268558.db2.gz VTMHZRXCHDPOBH-IHRRRGAJSA-N 1 0 293.430 3.202 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](CN)C1CCCC1)c1ccc(C)cc1O ZINC000817981406 632271406 /nfs/dbraw/zinc/27/14/06/632271406.db2.gz JAIHIJQRSXCSGN-CVEARBPZSA-N 1 0 276.424 3.259 20 10 CGCDRO C[C@@H](N[C@@H]1CCCC[NH2+]C1)c1ccc2ccccc2c1O ZINC000817984745 632274046 /nfs/dbraw/zinc/27/40/46/632274046.db2.gz YQGVKDPHCKEXAD-UKRRQHHQSA-N 1 0 284.403 3.338 20 10 CGCDRO CC[C@H]([NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32)c1ccc(C)cc1O ZINC000866445290 633134965 /nfs/dbraw/zinc/13/49/65/633134965.db2.gz ORQXDZRLDMNNPX-AJLLXUMYSA-N 1 0 287.403 3.165 20 10 CGCDRO C[C@H]([NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32)c1cc(Cl)ccc1O ZINC000866446622 633137168 /nfs/dbraw/zinc/13/71/68/633137168.db2.gz VYYCMPKICFXTNA-XIDMARJMSA-N 1 0 293.794 3.120 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CC(C)(C)CC[C@H]2O)c1 ZINC000866453373 633142635 /nfs/dbraw/zinc/14/26/35/633142635.db2.gz WFJDGBKWIPRGMF-JGGQBBKZSA-N 1 0 277.408 3.291 20 10 CGCDRO Oc1ccccc1C[NH2+][C@@H]1CCCc2ccccc2C1 ZINC000823752914 633148374 /nfs/dbraw/zinc/14/83/74/633148374.db2.gz OWQIFZDSOYXXIK-QGZVFWFLSA-N 1 0 267.372 3.429 20 10 CGCDRO COC(C)(C)CC[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000866505182 633164820 /nfs/dbraw/zinc/16/48/20/633164820.db2.gz JEPSHPBKNYEZGL-CYBMUJFWSA-N 1 0 265.397 3.475 20 10 CGCDRO COC(C)(C)CC[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000866505207 633165053 /nfs/dbraw/zinc/16/50/53/633165053.db2.gz VETYZPNKBKJJJB-PWSUYJOCSA-N 1 0 281.371 3.484 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCCn2nccc21)c1cc(Cl)ccc1O ZINC000866634774 633223898 /nfs/dbraw/zinc/22/38/98/633223898.db2.gz ULEDKCQDHXGARO-GXFFZTMASA-N 1 0 291.782 3.428 20 10 CGCDRO CCO[C@@H]1CCC[N@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000824473602 633249809 /nfs/dbraw/zinc/24/98/09/633249809.db2.gz CYSVNHLSQYAHMU-CYBMUJFWSA-N 1 0 283.799 3.355 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@](C)(COC)C2)cc1 ZINC000824576569 633260055 /nfs/dbraw/zinc/26/00/55/633260055.db2.gz PBKQYVHAJHACPM-SFHVURJKSA-N 1 0 290.451 3.391 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CC2=CCOCC2)cc1F ZINC000824596018 633261521 /nfs/dbraw/zinc/26/15/21/633261521.db2.gz DHAUUWFTTYQDCG-UHFFFAOYSA-N 1 0 292.398 3.108 20 10 CGCDRO CC[N@@H+](Cc1cc(Cl)c(C)cc1O)C[C@H]1CCCO1 ZINC000824609990 633264356 /nfs/dbraw/zinc/26/43/56/633264356.db2.gz FTPPWESAEWVZPX-CYBMUJFWSA-N 1 0 283.799 3.355 20 10 CGCDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@@H]2C2CC2)c1O ZINC000824650367 633268925 /nfs/dbraw/zinc/26/89/25/633268925.db2.gz MPZCDRGHYDSQFC-CYBMUJFWSA-N 1 0 296.208 3.447 20 10 CGCDRO CC[C@H]1CCC[C@@H]1C[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000824655199 633270069 /nfs/dbraw/zinc/27/00/69/633270069.db2.gz UWKFAUWNMZCLGY-QWHCGFSZSA-N 1 0 293.407 3.325 20 10 CGCDRO C[C@@]1(C[NH2+]Cc2ccc3c(c2)CCO3)CC1(Cl)Cl ZINC000824765095 633285051 /nfs/dbraw/zinc/28/50/51/633285051.db2.gz GVTOGCNNYHVFKS-ZDUSSCGKSA-N 1 0 286.202 3.295 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](OC)[C@H](C)C2)cc1 ZINC000824815470 633295301 /nfs/dbraw/zinc/29/53/01/633295301.db2.gz QBCITQLOAXXCAA-CRAIPNDOSA-N 1 0 290.451 3.390 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2CCC[C@@H]2C[C@@H](C)O)cc1Cl ZINC000824829679 633297097 /nfs/dbraw/zinc/29/70/97/633297097.db2.gz KGXODJPYXQMXAU-DGCLKSJQSA-N 1 0 283.799 3.089 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H]2CCO[C@@H](c3ccncc3)C2)c1 ZINC000824954395 633309511 /nfs/dbraw/zinc/30/95/11/633309511.db2.gz PZSOFUOJOHAAQP-FUHWJXTLSA-N 1 0 298.386 3.106 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCc2ccco2)cc1Cl ZINC000825058685 633323785 /nfs/dbraw/zinc/32/37/85/633323785.db2.gz IVJSMDCIHWCUKC-UHFFFAOYSA-N 1 0 265.740 3.279 20 10 CGCDRO CN(C)c1ccc(CNc2ccc3c([nH+]2)CCC3)cc1 ZINC000825124008 633330548 /nfs/dbraw/zinc/33/05/48/633330548.db2.gz GIVBOWAEQRMCLM-UHFFFAOYSA-N 1 0 267.376 3.248 20 10 CGCDRO CC[C@H](C)[C@](C)(O)C[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825267444 633340748 /nfs/dbraw/zinc/34/07/48/633340748.db2.gz STICWFVMOHMSIC-XHDPSFHLSA-N 1 0 285.815 3.241 20 10 CGCDRO Cc1ccc([C@@H](O)C[NH2+]Cc2cc(Cl)c(C)cc2O)o1 ZINC000825304446 633343211 /nfs/dbraw/zinc/34/32/11/633343211.db2.gz XZALATZFSKAEEJ-AWEZNQCLSA-N 1 0 295.766 3.079 20 10 CGCDRO COCCC1(C[NH2+]Cc2cc(Cl)c(C)cc2O)CC1 ZINC000825352146 633348298 /nfs/dbraw/zinc/34/82/98/633348298.db2.gz CRAGHXXSOJSDRQ-UHFFFAOYSA-N 1 0 283.799 3.260 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCCc2ccccn2)cc1Cl ZINC000825375784 633350282 /nfs/dbraw/zinc/35/02/82/633350282.db2.gz RDGSKQVSQXAUSC-UHFFFAOYSA-N 1 0 290.794 3.471 20 10 CGCDRO Cc1cncc(C[NH2+]Cc2cc(Cl)c(C)cc2O)c1 ZINC000825390379 633351870 /nfs/dbraw/zinc/35/18/70/633351870.db2.gz FZWZDSVXUPRGDV-UHFFFAOYSA-N 1 0 276.767 3.347 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCO[C@@H](C)C2)cc1Cl ZINC000825406512 633352876 /nfs/dbraw/zinc/35/28/76/633352876.db2.gz UPQVHABOBHFTRN-NWDGAFQWSA-N 1 0 283.799 3.259 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H]2C(C)(C)O)cc1Cl ZINC000825501502 633358299 /nfs/dbraw/zinc/35/82/99/633358299.db2.gz QMHJLVWQCONYNI-AWEZNQCLSA-N 1 0 283.799 3.089 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H](CCO)c2ccco2)cc1Cl ZINC000825536706 633362649 /nfs/dbraw/zinc/36/26/49/633362649.db2.gz LKJUMTUVFMFOFQ-ZDUSSCGKSA-N 1 0 295.766 3.160 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H]2CCc3ccc(O)cc32)c1O ZINC000827347041 633483555 /nfs/dbraw/zinc/48/35/55/633483555.db2.gz MSCFZPDPZQTVGT-MRXNPFEDSA-N 1 0 269.344 3.183 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H]2CCc3ccc(O)cc32)c1O ZINC000827346447 633483784 /nfs/dbraw/zinc/48/37/84/633483784.db2.gz IQDZUVXHWIPYIL-QGZVFWFLSA-N 1 0 283.371 3.437 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000827377135 633486690 /nfs/dbraw/zinc/48/66/90/633486690.db2.gz QIIRNKIGZBRFTL-RDJZCZTQSA-N 1 0 275.392 3.173 20 10 CGCDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000827376794 633487339 /nfs/dbraw/zinc/48/73/39/633487339.db2.gz HVKJFTZVQFDJDA-DYVFJYSZSA-N 1 0 293.382 3.312 20 10 CGCDRO CCC[N@H+](CCO)Cc1ccc(N2CCCCC2)c(C)c1 ZINC000827410994 633488830 /nfs/dbraw/zinc/48/88/30/633488830.db2.gz DQERTAOQNRXMKV-UHFFFAOYSA-N 1 0 290.451 3.190 20 10 CGCDRO Oc1c(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)ccc2ccccc21 ZINC000827506775 633495337 /nfs/dbraw/zinc/49/53/37/633495337.db2.gz LTLFNSPSDOTGLQ-UKRRQHHQSA-N 1 0 253.345 3.387 20 10 CGCDRO CC1(C)OCC[C@@H]1C[NH2+]Cc1ccc2ccccc2c1O ZINC000827707791 633511262 /nfs/dbraw/zinc/51/12/62/633511262.db2.gz SLFHIZNIQYLFCH-OAHLLOKOSA-N 1 0 285.387 3.450 20 10 CGCDRO COc1ccc(N2CC[NH+](CC3=CCCC3)CC2)cc1F ZINC000827986130 633544744 /nfs/dbraw/zinc/54/47/44/633544744.db2.gz UHEWHEFXLKMCFQ-UHFFFAOYSA-N 1 0 290.382 3.067 20 10 CGCDRO C[C@H]([NH2+]C[C@@H](O)[C@@H](C)c1ccccc1)c1ccccc1O ZINC000828655371 633640656 /nfs/dbraw/zinc/64/06/56/633640656.db2.gz BIOCAROHMHKQAR-SUNYJGFJSA-N 1 0 285.387 3.207 20 10 CGCDRO CCCC[N@@H+](Cc1ccccc1O)C[C@@H](O)CCC ZINC000829515781 633746176 /nfs/dbraw/zinc/74/61/76/633746176.db2.gz IMEZDTXJVJDJBA-HNNXBMFYSA-N 1 0 265.397 3.155 20 10 CGCDRO Cc1cc(O)c(C[NH+]2CCN(C3CC3)CC2)cc1C(C)C ZINC000129094148 636148300 /nfs/dbraw/zinc/14/83/00/636148300.db2.gz QCDQCGYJUJGJEM-UHFFFAOYSA-N 1 0 288.435 3.104 20 10 CGCDRO CCC[C@H](C)[C@@H](CO)[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000846182840 636154645 /nfs/dbraw/zinc/15/46/45/636154645.db2.gz DWHWQYXRYPJAIL-KCQAQPDRSA-N 1 0 265.397 3.148 20 10 CGCDRO C[C@H]([NH2+]CCC[C@H]1CCOC1=O)c1cc(Cl)ccc1O ZINC000872111444 634035274 /nfs/dbraw/zinc/03/52/74/634035274.db2.gz CVWDUKVPHIIATO-QWRGUYRKSA-N 1 0 297.782 3.040 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCC[C@@H]2CCOC2=O)c(O)c1 ZINC000872114215 634039531 /nfs/dbraw/zinc/03/95/31/634039531.db2.gz UTNQSCVIAINOOW-ZIAGYGMSSA-N 1 0 291.391 3.003 20 10 CGCDRO C[C@H]1C[C@@H]([NH2+]CCC2(CO)CCC2)c2c1c(F)ccc2O ZINC000846210087 636159337 /nfs/dbraw/zinc/15/93/37/636159337.db2.gz JUUGTAZUXCQRJL-WCQYABFASA-N 1 0 293.382 3.222 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)[C@H](O)c1ccccc1 ZINC000872132153 634053527 /nfs/dbraw/zinc/05/35/27/634053527.db2.gz FCAPVWBQQNZFKT-FRQCXROJSA-N 1 0 297.398 3.481 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2nccnc2C)c(O)c1 ZINC000872133369 634056286 /nfs/dbraw/zinc/05/62/86/634056286.db2.gz LYDQIRVSCDJORV-WCQYABFASA-N 1 0 271.364 3.211 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2nccnc2C)c(O)c1 ZINC000872133364 634056361 /nfs/dbraw/zinc/05/63/61/634056361.db2.gz LYDQIRVSCDJORV-AAEUAGOBSA-N 1 0 271.364 3.211 20 10 CGCDRO C[C@H](C[NH2+][C@H]1CCc2cccc(O)c21)N1CCC[C@@H](C)C1 ZINC000834514662 634174611 /nfs/dbraw/zinc/17/46/11/634174611.db2.gz VRWMDYWVWXGPNG-FMKPAKJESA-N 1 0 288.435 3.090 20 10 CGCDRO CN(CC[NH2+][C@@H]1CCc2cccc(O)c21)C1CCCCC1 ZINC000834534492 634177159 /nfs/dbraw/zinc/17/71/59/634177159.db2.gz QTQRNLGPOAUQHO-MRXNPFEDSA-N 1 0 288.435 3.234 20 10 CGCDRO COc1ccc(C)cc1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834630181 634202268 /nfs/dbraw/zinc/20/22/68/634202268.db2.gz WUHBVGCSLCZRDH-OAHLLOKOSA-N 1 0 283.371 3.486 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@@H]2CCO[C@H](C)C2)cc1C ZINC000873099220 634246303 /nfs/dbraw/zinc/24/63/03/634246303.db2.gz UBFQGQLPYRIJKH-GDBMZVCRSA-N 1 0 277.408 3.441 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CCn2ccnc21)c1cc2c(cc1O)CCCC2 ZINC000834830000 634250833 /nfs/dbraw/zinc/25/08/33/634250833.db2.gz AWGXOUZUZWGDNE-WBMJQRKESA-N 1 0 297.402 3.263 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@H]2CCn3ccnc32)c(O)c1 ZINC000834831076 634252120 /nfs/dbraw/zinc/25/21/20/634252120.db2.gz HUUJFJXHQDXVQC-STQMWFEESA-N 1 0 271.364 3.001 20 10 CGCDRO CC[C@@H]([NH2+]CC1=CCOCC1)c1ccc(C)cc1O ZINC000834860819 634259210 /nfs/dbraw/zinc/25/92/10/634259210.db2.gz UPBRBKLTZTWXGO-OAHLLOKOSA-N 1 0 261.365 3.088 20 10 CGCDRO CC[C@@](C)(C[NH2+][C@H](C)c1c(C)cc(C)cc1O)OC ZINC000834881964 634264281 /nfs/dbraw/zinc/26/42/81/634264281.db2.gz HFYGASYBLOLXDZ-CJNGLKHVSA-N 1 0 265.397 3.475 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H]2CCC[C@H]2O)c1O ZINC000834902689 634279061 /nfs/dbraw/zinc/27/90/61/634279061.db2.gz KHGLBDHYAPWBGQ-COPLHBTASA-N 1 0 283.799 3.166 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2COCC2(C)C)c(O)c1C ZINC000834904133 634281358 /nfs/dbraw/zinc/28/13/58/634281358.db2.gz NJCRJGLSDPTREH-OCCSQVGLSA-N 1 0 263.381 3.085 20 10 CGCDRO CC[C@H]([NH2+]CCc1cnc(C)cn1)c1ccc(C)cc1O ZINC000834909280 634284258 /nfs/dbraw/zinc/28/42/58/634284258.db2.gz QHBWPZMUOJINDK-INIZCTEOSA-N 1 0 285.391 3.082 20 10 CGCDRO C[C@@H]([NH2+]CCN1CCCC1(C)C)c1cc(F)ccc1O ZINC000834912008 634285040 /nfs/dbraw/zinc/28/50/40/634285040.db2.gz VGMBZHOLRQLKCP-GFCCVEGCSA-N 1 0 280.387 3.056 20 10 CGCDRO C[C@H]([NH2+]CCN1CCCC1(C)C)c1cc(F)ccc1O ZINC000834912011 634285149 /nfs/dbraw/zinc/28/51/49/634285149.db2.gz VGMBZHOLRQLKCP-LBPRGKRZSA-N 1 0 280.387 3.056 20 10 CGCDRO C[C@@H]1CC[C@H](C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)O1 ZINC000834915971 634286009 /nfs/dbraw/zinc/28/60/09/634286009.db2.gz VVHMMFXQZQWTNC-SBFPOUOMSA-N 1 0 279.355 3.237 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@@H](C)O2)cc1 ZINC000834914983 634286535 /nfs/dbraw/zinc/28/65/35/634286535.db2.gz LQNRRBPENUKKQO-KEYYUXOJSA-N 1 0 276.424 3.361 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cc(N)cc(F)c1)c1ccccc1O ZINC000873288506 634321614 /nfs/dbraw/zinc/32/16/14/634321614.db2.gz HKECBYHCXKPSRX-OAHLLOKOSA-N 1 0 274.339 3.354 20 10 CGCDRO CCOC[C@H]1CC[N@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835030017 634325303 /nfs/dbraw/zinc/32/53/03/634325303.db2.gz YTZVTYHALZMAFX-OSJSJHBBSA-N 1 0 288.435 3.124 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+]C2CCSCC2)cc1 ZINC000835037384 634328400 /nfs/dbraw/zinc/32/84/00/634328400.db2.gz JVGKIPJZXILRCK-ONEGZZNKSA-N 1 0 276.449 3.251 20 10 CGCDRO CCOC(C)(C)C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835045702 634332125 /nfs/dbraw/zinc/33/21/25/634332125.db2.gz OJKRFDYKWRWAJM-FPLPWBNLSA-N 1 0 276.424 3.171 20 10 CGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@H]2C(C)(C)O)cc1 ZINC000835048213 634334052 /nfs/dbraw/zinc/33/40/52/634334052.db2.gz NUGVKHCNGVWUIQ-WVRJYTFGSA-N 1 0 288.435 3.001 20 10 CGCDRO COC[C@]1(C)CC[N@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835053956 634337725 /nfs/dbraw/zinc/33/77/25/634337725.db2.gz GFJKGJXWXULCMR-OOFWQKGWSA-N 1 0 288.435 3.124 20 10 CGCDRO CO[C@@H]1CC[N@H+](C/C=C\c2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000835053797 634338236 /nfs/dbraw/zinc/33/82/36/634338236.db2.gz YLHBRDDUBJKVHJ-RBVSRTDUSA-N 1 0 288.435 3.265 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@H]2CCCSC2)cc1 ZINC000835054717 634338456 /nfs/dbraw/zinc/33/84/56/634338456.db2.gz XOCNVKGZPQWONQ-LLCTXKFZSA-N 1 0 290.476 3.499 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@@H]2C[C@H]2C2CC2)cc1 ZINC000835055050 634339188 /nfs/dbraw/zinc/33/91/88/634339188.db2.gz PLHAOPRNFKQKNH-WTNGUMASSA-N 1 0 270.420 3.402 20 10 CGCDRO Oc1cc2c(cc1C[NH2+]CC1(C3CCC3)CCC1)OCO2 ZINC000835059727 634342135 /nfs/dbraw/zinc/34/21/35/634342135.db2.gz WRTPIYYPXXHWJB-UHFFFAOYSA-N 1 0 289.375 3.181 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H](CO)Cc2ccc(C)c(C)c2)c1 ZINC000835073042 634345393 /nfs/dbraw/zinc/34/53/93/634345393.db2.gz IYOQOGVAWLCIPS-GOSISDBHSA-N 1 0 299.414 3.011 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CC[C@H](C)O2)c1O ZINC000835089243 634351425 /nfs/dbraw/zinc/35/14/25/634351425.db2.gz YLERDQBXNDCYEP-GWCFXTLKSA-N 1 0 269.772 3.011 20 10 CGCDRO Cc1ccc(CNc2ccc(C[NH+](C)C)cc2)c(O)c1 ZINC000876819221 634905979 /nfs/dbraw/zinc/90/59/79/634905979.db2.gz JADNDGDYYYDRKE-UHFFFAOYSA-N 1 0 270.376 3.374 20 10 CGCDRO COCc1ccccc1C[NH2+]Cc1c(C)cccc1O ZINC000876910760 634926856 /nfs/dbraw/zinc/92/68/56/634926856.db2.gz LPLHCHOJRRZZLZ-UHFFFAOYSA-N 1 0 271.360 3.137 20 10 CGCDRO Cc1ccc(C[NH2+]C[C@@H]2CCN(c3ccccc3)C2)c(O)c1 ZINC000876929021 634930032 /nfs/dbraw/zinc/93/00/32/634930032.db2.gz FWSYQYVZYOFMPD-INIZCTEOSA-N 1 0 296.414 3.317 20 10 CGCDRO Nc1c(Cl)cccc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000876996695 634946956 /nfs/dbraw/zinc/94/69/56/634946956.db2.gz ZYCXODIAMXOYAU-UHFFFAOYSA-N 1 0 288.778 3.147 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]C[C@H]1CCCO[C@H]1C(C)C ZINC000877074008 634972470 /nfs/dbraw/zinc/97/24/70/634972470.db2.gz XMJVZIYLZOVDSF-PBHICJAKSA-N 1 0 277.408 3.241 20 10 CGCDRO CO[C@H](C)c1nc(C[NH2+]Cc2c(C)cccc2O)cs1 ZINC000877074883 634972990 /nfs/dbraw/zinc/97/29/90/634972990.db2.gz UYSFBBUZLQGOOJ-LLVKDONJSA-N 1 0 292.404 3.154 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]Cc1cccc2c1OCCCO2 ZINC000877097416 634983711 /nfs/dbraw/zinc/98/37/11/634983711.db2.gz DRJWGVRZJPNUGQ-UHFFFAOYSA-N 1 0 299.370 3.152 20 10 CGCDRO Cc1cccc(O)c1C[NH2+][C@@H](C)C[C@H](O)c1cccs1 ZINC000877130550 634995021 /nfs/dbraw/zinc/99/50/21/634995021.db2.gz RSTJVUTUZBNMDQ-WFASDCNBSA-N 1 0 291.416 3.364 20 10 CGCDRO Cc1ccc(C[NH2+]C[C@@H](c2cccs2)N(C)C)c(O)c1 ZINC000877142974 635001407 /nfs/dbraw/zinc/00/14/07/635001407.db2.gz XVBZVDDXLROBOM-AWEZNQCLSA-N 1 0 290.432 3.155 20 10 CGCDRO CCn1c(C[NH2+]Cc2c(C)cccc2O)nc2ccccc21 ZINC000877343681 635028843 /nfs/dbraw/zinc/02/88/43/635028843.db2.gz QJUUPWIFZLAPJO-UHFFFAOYSA-N 1 0 295.386 3.360 20 10 CGCDRO C[C@@]1(C[NH2+]Cc2cc(Cl)ccc2O)CCCS1 ZINC000126509909 635035920 /nfs/dbraw/zinc/03/59/20/635035920.db2.gz BVKUZPLKXLZGCS-ZDUSSCGKSA-N 1 0 271.813 3.421 20 10 CGCDRO CC[C@H](C)[C@](C)(O)C[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840898609 635077914 /nfs/dbraw/zinc/07/79/14/635077914.db2.gz YWUHKVKAPFZKEO-XHDPSFHLSA-N 1 0 285.815 3.241 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1CCCS1 ZINC000840938171 635085585 /nfs/dbraw/zinc/08/55/85/635085585.db2.gz NDFFTSHVNUTCEI-HNNXBMFYSA-N 1 0 264.438 3.046 20 10 CGCDRO Cc1cc(O)c(C[N@H+](C)CCc2ccncc2)c(Cl)c1 ZINC000840938340 635085760 /nfs/dbraw/zinc/08/57/60/635085760.db2.gz BXCGUWTZYKPTLU-UHFFFAOYSA-N 1 0 290.794 3.424 20 10 CGCDRO CC[C@H](CSC)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840938114 635086243 /nfs/dbraw/zinc/08/62/43/635086243.db2.gz ZLMIWJYUZFTMEI-CQSZACIVSA-N 1 0 266.454 3.292 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000840943514 635089922 /nfs/dbraw/zinc/08/99/22/635089922.db2.gz TVUAYOOLLDJGLX-QZTJIDSGSA-N 1 0 288.435 3.204 20 10 CGCDRO Cc1cc(O)c(C[NH2+]Cc2ccnc(C)c2)c(Cl)c1 ZINC000840950272 635091184 /nfs/dbraw/zinc/09/11/84/635091184.db2.gz GORKWSOFWOOHIM-UHFFFAOYSA-N 1 0 276.767 3.347 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCCO[C@@H](C(C)C)C1 ZINC000840949406 635091348 /nfs/dbraw/zinc/09/13/48/635091348.db2.gz VMFWLPJURRHNSV-GOSISDBHSA-N 1 0 290.451 3.308 20 10 CGCDRO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840952690 635092415 /nfs/dbraw/zinc/09/24/15/635092415.db2.gz GGMQHSKRBGEBDX-IAGOWNOFSA-N 1 0 276.424 3.108 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](C)CCOC)cc1 ZINC000840955882 635093595 /nfs/dbraw/zinc/09/35/95/635093595.db2.gz ZNNUUONXTUPWSK-HNNXBMFYSA-N 1 0 278.440 3.295 20 10 CGCDRO CCOCc1cc(C[NH2+][C@@H]2CS[C@H](C)C2)ccc1OC ZINC000840959646 635094149 /nfs/dbraw/zinc/09/41/49/635094149.db2.gz XXVXOSXKNDZWSC-DOMZBBRYSA-N 1 0 295.448 3.215 20 10 CGCDRO C[C@H]([NH2+]Cc1cc(Cl)ccc1O)[C@@H]1CC1(F)F ZINC000840967297 635095739 /nfs/dbraw/zinc/09/57/39/635095739.db2.gz DRUZABRDZLNONL-XVKPBYJWSA-N 1 0 261.699 3.179 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]CCC1CC(F)(F)C1 ZINC000877577522 635099263 /nfs/dbraw/zinc/09/92/63/635099263.db2.gz GQLNAHILGMUVAR-UHFFFAOYSA-N 1 0 255.308 3.226 20 10 CGCDRO Cc1ccc(C[N@@H+]2CC[C@@H](c3cccnc3)C2)c(O)c1 ZINC000877604203 635107832 /nfs/dbraw/zinc/10/78/32/635107832.db2.gz JIQFOFXYPAWLJN-OAHLLOKOSA-N 1 0 268.360 3.085 20 10 CGCDRO CCCCN(CC[NH2+]C(C)(C)C)Cc1ccccc1O ZINC000841020565 635108081 /nfs/dbraw/zinc/10/80/81/635108081.db2.gz ZAMBGGLYKAEASC-UHFFFAOYSA-N 1 0 278.440 3.382 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@H](N)c2ccccc2)cc1 ZINC000841035425 635111421 /nfs/dbraw/zinc/11/14/21/635111421.db2.gz GXGUMGIXXULZDE-RURPWVQCSA-N 1 0 295.430 3.055 20 10 CGCDRO NC[C@H]([NH2+]Cc1cc(Cl)ccc1O)C1CCCCC1 ZINC000841039432 635112665 /nfs/dbraw/zinc/11/26/65/635112665.db2.gz OQKQXWKNXWQIIY-AWEZNQCLSA-N 1 0 282.815 3.043 20 10 CGCDRO Nc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cc(F)ccc1O ZINC000841059101 635116728 /nfs/dbraw/zinc/11/67/28/635116728.db2.gz ZLCRLWHIBVJYPD-MRXNPFEDSA-N 1 0 286.350 3.281 20 10 CGCDRO Cc1ccc(O)c(CN2C[C@@H](C)[NH2+]Cc3ccccc32)c1 ZINC000841090133 635121008 /nfs/dbraw/zinc/12/10/08/635121008.db2.gz WFUFRCMIWHZKJN-CQSZACIVSA-N 1 0 282.387 3.199 20 10 CGCDRO Cc1cccc(CN2CC[NH2+]Cc3c(C)cccc32)c1O ZINC000841090768 635121344 /nfs/dbraw/zinc/12/13/44/635121344.db2.gz WNWMSTGZPBPUFV-UHFFFAOYSA-N 1 0 282.387 3.119 20 10 CGCDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCN(C2CCCCC2)C1 ZINC000877630503 635121655 /nfs/dbraw/zinc/12/16/55/635121655.db2.gz KCKJQSAJGQNSHU-OAHLLOKOSA-N 1 0 288.435 3.197 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]C[C@H]1C(C)(C)C1(F)F ZINC000877636283 635125001 /nfs/dbraw/zinc/12/50/01/635125001.db2.gz RQFPGZXMAFXINF-LBPRGKRZSA-N 1 0 255.308 3.082 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CC[C@H]1CCSC1 ZINC000877662850 635136422 /nfs/dbraw/zinc/13/64/22/635136422.db2.gz YBRCYQKQWOPGEY-AWEZNQCLSA-N 1 0 278.465 3.294 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2C[C@H](C)O[C@@H]2C)cc1Cl ZINC000877682373 635144066 /nfs/dbraw/zinc/14/40/66/635144066.db2.gz NHCNEQKXSPLUAB-OPQQBVKSSA-N 1 0 269.772 3.010 20 10 CGCDRO CCOc1cccc(C[N@@H+]2Cc3cccc(O)c3C2)c1 ZINC000877703742 635156018 /nfs/dbraw/zinc/15/60/18/635156018.db2.gz SAUIIEZYHQERLE-UHFFFAOYSA-N 1 0 269.344 3.307 20 10 CGCDRO CCc1cccc(C[N@@H+]2CC[C@H]3CSC[C@@H]3C2)c1O ZINC000877740506 635175433 /nfs/dbraw/zinc/17/54/33/635175433.db2.gz VUHCHMPTISFJQB-GJZGRUSLSA-N 1 0 277.433 3.140 20 10 CGCDRO Cc1cc(O)c(C[NH+]2CCC(C(C)(C)O)CC2)c(Cl)c1 ZINC000877752615 635181436 /nfs/dbraw/zinc/18/14/36/635181436.db2.gz VHAZGFDVWQCXAQ-UHFFFAOYSA-N 1 0 297.826 3.337 20 10 CGCDRO COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccccc2O)[C@H]1C ZINC000877755449 635184557 /nfs/dbraw/zinc/18/45/57/635184557.db2.gz BMEGREYUNLGWEZ-XFMPKHEZSA-N 1 0 291.391 3.021 20 10 CGCDRO COc1cc(C[C@@H](C)[NH2+][C@H](C)c2ccccc2O)ccn1 ZINC000877755453 635184753 /nfs/dbraw/zinc/18/47/53/635184753.db2.gz BMYAYQNQORXMEM-CHWSQXEVSA-N 1 0 286.375 3.078 20 10 CGCDRO C[C@H](CC(=O)Nc1ccccc1)[NH2+][C@H](C)c1ccccc1O ZINC000877756465 635185998 /nfs/dbraw/zinc/18/59/98/635185998.db2.gz JUORJFRBFZKPQL-ZIAGYGMSSA-N 1 0 298.386 3.460 20 10 CGCDRO C[C@H](CC1CCOCC1)[NH2+][C@@H](C)c1ccccc1O ZINC000877757209 635186226 /nfs/dbraw/zinc/18/62/26/635186226.db2.gz OBWJIQRIKLIDCN-OLZOCXBDSA-N 1 0 263.381 3.248 20 10 CGCDRO COc1c(C)cnc(C[NH2+][C@@H](C)c2ccccc2O)c1C ZINC000877758057 635186985 /nfs/dbraw/zinc/18/69/85/635186985.db2.gz HKIDUELEOKUXJB-ZDUSSCGKSA-N 1 0 286.375 3.263 20 10 CGCDRO C[C@H]([NH2+]CCN1CC[C@@H](C)C1)c1ccc(Cl)cc1O ZINC000841748547 635223824 /nfs/dbraw/zinc/22/38/24/635223824.db2.gz AOHGNAUVRYXCGG-NEPJUHHUSA-N 1 0 282.815 3.038 20 10 CGCDRO C[C@H]([NH2+]CCCC[NH+](C)C)c1ccc(Cl)cc1[O-] ZINC000841746825 635224308 /nfs/dbraw/zinc/22/43/08/635224308.db2.gz LLEDXUNFLKKIEB-NSHDSACASA-N 1 0 270.804 3.038 20 10 CGCDRO COC[C@@H]([NH2+][C@H](C)c1ccc(Cl)cc1O)C1CC1 ZINC000841750785 635225511 /nfs/dbraw/zinc/22/55/11/635225511.db2.gz JCYHVFXIQMBVAZ-NOZJJQNGSA-N 1 0 269.772 3.121 20 10 CGCDRO CC(C)N(C)C[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841753352 635227491 /nfs/dbraw/zinc/22/74/91/635227491.db2.gz HELISUCVXUKRRB-VXGBXAGGSA-N 1 0 284.831 3.425 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2COCc3ccccc32)c1 ZINC000841760425 635233500 /nfs/dbraw/zinc/23/35/00/635233500.db2.gz KIPZIWHVBZPDDF-SJKOYZFVSA-N 1 0 299.370 3.323 20 10 CGCDRO COc1cc(C[N@@H+]2CC[C@@H](c3cccnc3)C2)c(O)cc1C ZINC000842629641 635420984 /nfs/dbraw/zinc/42/09/84/635420984.db2.gz WRWCRVQJEDIQFQ-OAHLLOKOSA-N 1 0 298.386 3.094 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CCC2(COC)CC2)cc1 ZINC000842729632 635451473 /nfs/dbraw/zinc/45/14/73/635451473.db2.gz QQJCUSFGCWFZSW-UHFFFAOYSA-N 1 0 290.451 3.439 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1CC2(CCC2)CO1)c1ccccc1O ZINC000878354278 635472929 /nfs/dbraw/zinc/47/29/29/635472929.db2.gz HVUIKJBWNHGMFO-OLZOCXBDSA-N 1 0 261.365 3.002 20 10 CGCDRO CC[C@H](C)C[C@@H](CO)[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000842917422 635511582 /nfs/dbraw/zinc/51/15/82/635511582.db2.gz ORGQGZRRQDWBAT-GVXVVHGQSA-N 1 0 285.815 3.493 20 10 CGCDRO CC(C)(C)O[C@H]1C[C@@H]([NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000842922876 635512406 /nfs/dbraw/zinc/51/24/06/635512406.db2.gz YLUIKMLITPSZIF-MJBXVCDLSA-N 1 0 275.392 3.315 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]CC1CCC(F)CC1)CC2 ZINC000842930582 635514398 /nfs/dbraw/zinc/51/43/98/635514398.db2.gz YTQWJTHPGQBWTO-UXUKBGGZSA-N 1 0 263.356 3.497 20 10 CGCDRO Cc1cc(O)c(CN(CC[NH3+])CCc2ccccc2)cc1C ZINC000843122723 635559882 /nfs/dbraw/zinc/55/98/82/635559882.db2.gz TWWJIHKDKYSKEC-UHFFFAOYSA-N 1 0 298.430 3.012 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCOC2)c1O ZINC000843416006 635663310 /nfs/dbraw/zinc/66/33/10/635663310.db2.gz FZHAFJWBEAWIGZ-CVEARBPZSA-N 1 0 275.392 3.092 20 10 CGCDRO CCCC[C@@](C)(CO)[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000843426325 635670047 /nfs/dbraw/zinc/67/00/47/635670047.db2.gz SMZRNOLQVYDRKO-HNNXBMFYSA-N 1 0 285.815 3.385 20 10 CGCDRO C[C@H]([NH2+]Cc1noc2c1CCCC2)c1ccccc1O ZINC000879651361 635828426 /nfs/dbraw/zinc/82/84/26/635828426.db2.gz RZTUDDXZTFPFBK-NSHDSACASA-N 1 0 272.348 3.110 20 10 CGCDRO CCC[N@H+](Cc1cc2n(n1)CCCC2)Cc1ccccc1O ZINC000844299343 635862876 /nfs/dbraw/zinc/86/28/76/635862876.db2.gz BOILLPKQMGTKSM-UHFFFAOYSA-N 1 0 299.418 3.337 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+][C@@H]1CNc3ccccc3C1)CC2 ZINC000844919102 635983515 /nfs/dbraw/zinc/98/35/15/635983515.db2.gz CKHKSZUJCSGTDQ-GOEBONIOSA-N 1 0 280.371 3.006 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@](C)(O)c1ccccc1 ZINC000846038607 636135258 /nfs/dbraw/zinc/13/52/58/636135258.db2.gz NGIJJKVSZJXMTR-KUHUBIRLSA-N 1 0 297.398 3.007 20 10 CGCDRO Oc1ccc(F)cc1C[NH+]1CCC2(CC2(F)F)CC1 ZINC000846054121 636138841 /nfs/dbraw/zinc/13/88/41/636138841.db2.gz CZFUBJREJMLHME-UHFFFAOYSA-N 1 0 271.282 3.153 20 10 CGCDRO COc1cccc(O)c1C[NH2+][C@@H]1CCc2ccc(C)cc21 ZINC000846054430 636138891 /nfs/dbraw/zinc/13/88/91/636138891.db2.gz AZOPYKYLRDQMLM-MRXNPFEDSA-N 1 0 283.371 3.486 20 10 CGCDRO Cc1ccncc1CCC[NH2+]Cc1cc(Cl)ccc1O ZINC000846055805 636139616 /nfs/dbraw/zinc/13/96/16/636139616.db2.gz OAHYDRLRMGGTAN-UHFFFAOYSA-N 1 0 290.794 3.471 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc(Cl)nc2)c1O ZINC000846140842 636148634 /nfs/dbraw/zinc/14/86/34/636148634.db2.gz GPOIFDRWOMKENE-SNVBAGLBSA-N 1 0 292.766 3.300 20 10 CGCDRO COc1ccc(C[NH2+][C@H](C)c2cccc(OC)c2O)cc1 ZINC000846136571 636148769 /nfs/dbraw/zinc/14/87/69/636148769.db2.gz HRIAWIRVWCGCLQ-GFCCVEGCSA-N 1 0 287.359 3.260 20 10 CGCDRO CCCCOCCC[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846135407 636148965 /nfs/dbraw/zinc/14/89/65/636148965.db2.gz CHZJSBZDOXXLPO-CYBMUJFWSA-N 1 0 281.396 3.258 20 10 CGCDRO CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846146028 636149858 /nfs/dbraw/zinc/14/98/58/636149858.db2.gz RDYLMICVGYLMSZ-QJPTWQEYSA-N 1 0 251.370 3.486 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@H](C)CC(C)C)c1O ZINC000846158103 636150263 /nfs/dbraw/zinc/15/02/63/636150263.db2.gz SNDBQNSRFUEJLN-NEPJUHHUSA-N 1 0 251.370 3.486 20 10 CGCDRO CCC(C)(C)OCC[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846169529 636153107 /nfs/dbraw/zinc/15/31/07/636153107.db2.gz RODZSTQLVVWWJO-LBPRGKRZSA-N 1 0 281.396 3.257 20 10 CGCDRO C[C@H]1CC[C@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)CS1 ZINC000848524519 636587667 /nfs/dbraw/zinc/58/76/67/636587667.db2.gz FLMRALHMJNKZIA-AAEUAGOBSA-N 1 0 282.428 3.265 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+][C@H](C1CC1)[C@@H]1CCCCO1)CC2 ZINC000848558819 636605451 /nfs/dbraw/zinc/60/54/51/636605451.db2.gz NOXLKRMYXSJSOY-UWWQBHOKSA-N 1 0 287.403 3.317 20 10 CGCDRO COCC1(C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)CC1 ZINC000848561232 636606585 /nfs/dbraw/zinc/60/65/85/636606585.db2.gz RUGIPUATEBFWQD-ZDUSSCGKSA-N 1 0 263.381 3.086 20 10 CGCDRO C[C@H](C[NH2+]Cc1cc(Cl)ccc1O)C(=O)OC(C)(C)C ZINC000848565282 636608482 /nfs/dbraw/zinc/60/84/82/636608482.db2.gz HTWABGXRZBHYEA-SNVBAGLBSA-N 1 0 299.798 3.113 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@H](CC)[C@@H]2CCCCO2)c1 ZINC000848574545 636612561 /nfs/dbraw/zinc/61/25/61/636612561.db2.gz FLEMXBRPVCPWIJ-WBVHZDCISA-N 1 0 293.407 3.228 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+][C@H]2CC[C@@H](C)C2)c1O ZINC000131286869 636613011 /nfs/dbraw/zinc/61/30/11/636613011.db2.gz STWOHYYIKKQIJG-SKDRFNHKSA-N 1 0 269.772 3.332 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(OC)c(C)c1)[C@H]1CCCCO1 ZINC000848575167 636613249 /nfs/dbraw/zinc/61/32/49/636613249.db2.gz LJROCVXZVBWZCF-DOTOQJQBSA-N 1 0 277.408 3.441 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]CC(C)(C)CC(F)F)c1 ZINC000883252113 636623123 /nfs/dbraw/zinc/62/31/23/636623123.db2.gz RPTGXOQRMXCURM-UHFFFAOYSA-N 1 0 257.324 3.472 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@H](CCO)CC(C)C)c1O ZINC000848897830 636680765 /nfs/dbraw/zinc/68/07/65/636680765.db2.gz MNYZYLALWYJNER-CQSZACIVSA-N 1 0 279.424 3.089 20 10 CGCDRO CCc1cccc(C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)c1O ZINC000848902978 636682944 /nfs/dbraw/zinc/68/29/44/636682944.db2.gz VZVHZQUHYVAECV-INIZCTEOSA-N 1 0 296.414 3.414 20 10 CGCDRO CCc1cccc(C[NH2+]CCC[C@H]2CCCCO2)c1O ZINC000848902954 636683084 /nfs/dbraw/zinc/68/30/84/636683084.db2.gz LIHCSHSCADPJAK-MRXNPFEDSA-N 1 0 277.408 3.394 20 10 CGCDRO CCc1cccc(C[N@@H+]2CC[C@@H](c3ccccn3)C2)c1O ZINC000848908724 636685165 /nfs/dbraw/zinc/68/51/65/636685165.db2.gz BTJLCJSDESAAAZ-OAHLLOKOSA-N 1 0 282.387 3.339 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCCC[C@@H]2C[C@@H](C)O)c1O ZINC000848907609 636685243 /nfs/dbraw/zinc/68/52/43/636685243.db2.gz GAVFNMQXGGHMKN-CZUORRHYSA-N 1 0 277.408 3.080 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCCCC[C@H]2CCO)c1O ZINC000848908856 636685289 /nfs/dbraw/zinc/68/52/89/636685289.db2.gz FSIUDGSQVLMWFE-INIZCTEOSA-N 1 0 277.408 3.082 20 10 CGCDRO CCOc1cccc(C[NH2+][C@H](CC)[C@@H]2CCCOC2)c1O ZINC000883352411 636693146 /nfs/dbraw/zinc/69/31/46/636693146.db2.gz ALAYAFNPGLNETI-HUUCEWRRSA-N 1 0 293.407 3.086 20 10 CGCDRO CCC[N@H+](Cc1cc(OCC)ccc1O)C(C)C ZINC000848923279 636694119 /nfs/dbraw/zinc/69/41/19/636694119.db2.gz HXKIJDVFGLAVJM-UHFFFAOYSA-N 1 0 251.370 3.411 20 10 CGCDRO CCOc1ccc(C[NH2+][C@@H](CC)[C@H]2CCCOC2)c(O)c1 ZINC000883352650 636694504 /nfs/dbraw/zinc/69/45/04/636694504.db2.gz FXWBOBKJHNPPNA-HOCLYGCPSA-N 1 0 293.407 3.086 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H]1CCN1CC)c1cc(Cl)ccc1O ZINC000883355672 636697764 /nfs/dbraw/zinc/69/77/64/636697764.db2.gz WAEGFWBSSUBDQI-GXTWGEPZSA-N 1 0 282.815 3.181 20 10 CGCDRO COC[C@H](CC(C)(C)C)[NH2+]Cc1cccc(C)c1O ZINC000848926181 636699151 /nfs/dbraw/zinc/69/91/51/636699151.db2.gz MMUTWRXDSRRQCW-AWEZNQCLSA-N 1 0 265.397 3.241 20 10 CGCDRO CC(C)CCC[C@@H](C)NC(=[NH2+])NCc1ccccc1O ZINC000848984787 636704738 /nfs/dbraw/zinc/70/47/38/636704738.db2.gz CTGVVIPIAZRDMX-CYBMUJFWSA-N 1 0 277.412 3.221 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CCC3(CCC3)O2)cc1F ZINC000883365217 636706675 /nfs/dbraw/zinc/70/66/75/636706675.db2.gz WMQYRHIKTKDOLB-AWEZNQCLSA-N 1 0 292.398 3.083 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCC[C@]23CCCO3)c1O ZINC000883366827 636709276 /nfs/dbraw/zinc/70/92/76/636709276.db2.gz ANZOLKGFNYFYJF-MJEQTWJJSA-N 1 0 291.391 3.153 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCC[C@]12CCCO2)c1ccccc1O ZINC000883368677 636710509 /nfs/dbraw/zinc/71/05/09/636710509.db2.gz XMBOAIPZROCUQS-WQVCFCJDSA-N 1 0 261.365 3.145 20 10 CGCDRO CC(C)(C)NC(=[NH2+])NCc1cc(Cl)cc(Cl)c1[O-] ZINC000849028693 636721626 /nfs/dbraw/zinc/72/16/26/636721626.db2.gz WDJDMGYEYILMQV-UHFFFAOYSA-N 1 0 290.194 3.111 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCc3cc(N)ccc32)cc1C ZINC000849352283 636818179 /nfs/dbraw/zinc/81/81/79/636818179.db2.gz KCTDDOKXWSFSBF-KRWDZBQOSA-N 1 0 282.387 3.368 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCc2noc3ccccc23)cc1C ZINC000850343719 637021863 /nfs/dbraw/zinc/02/18/63/637021863.db2.gz ZELBPFQSHNXXMI-UHFFFAOYSA-N 1 0 296.370 3.483 20 10 CGCDRO CC[C@H](COCC1CC1)[NH2+]Cc1c(O)cccc1Cl ZINC000850349788 637022849 /nfs/dbraw/zinc/02/28/49/637022849.db2.gz KORWJLZBAJUASP-GFCCVEGCSA-N 1 0 283.799 3.340 20 10 CGCDRO COc1ccc(N2CC[C@@H]([NH2+]CCCC(C)C)C2)cc1 ZINC000850347587 637022899 /nfs/dbraw/zinc/02/28/99/637022899.db2.gz UHNBYDDIYZCWRG-OAHLLOKOSA-N 1 0 276.424 3.300 20 10 CGCDRO CCc1ccc(C)[nH+]c1NCc1cccc(OC)c1O ZINC000850357021 637025757 /nfs/dbraw/zinc/02/57/57/637025757.db2.gz WHKRQCVTPJBKOX-UHFFFAOYSA-N 1 0 272.348 3.279 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]CCC2(CSC)CC2)c1 ZINC000850356722 637026348 /nfs/dbraw/zinc/02/63/48/637026348.db2.gz VKZDLFODQIHGRT-UHFFFAOYSA-N 1 0 295.448 3.414 20 10 CGCDRO Oc1ccc(C[NH2+]Cc2c(O)cccc2Cl)cc1 ZINC000134605037 637030803 /nfs/dbraw/zinc/03/08/03/637030803.db2.gz LVAWZIWYHPIPTF-UHFFFAOYSA-N 1 0 263.724 3.041 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@@H]([C@@H]3CCCO3)C2)c1 ZINC000884482711 637040884 /nfs/dbraw/zinc/04/08/84/637040884.db2.gz GSJCFEXGQLQWOP-ZBFHGGJFSA-N 1 0 275.392 3.010 20 10 CGCDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]Cc1ccccc1O ZINC000134913113 637049599 /nfs/dbraw/zinc/04/95/99/637049599.db2.gz TZXADGVAHDEQSA-UHFFFAOYSA-N 1 0 292.722 3.244 20 10 CGCDRO CC(C)C[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000134901885 637050453 /nfs/dbraw/zinc/05/04/53/637050453.db2.gz BLZNBQUHMWKBFQ-VIFPVBQESA-N 1 0 272.186 3.461 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+][C@H]3CC[C@@H]3C(C)C)C2)cc1 ZINC000850488374 637088237 /nfs/dbraw/zinc/08/82/37/637088237.db2.gz MNNKVQMNMKSPQA-QGTPRVQTSA-N 1 0 288.435 3.298 20 10 CGCDRO CC(C)C[C@@H](CO)[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000850522799 637101297 /nfs/dbraw/zinc/10/12/97/637101297.db2.gz MGKGREKWLHSCHM-MDZLAQPJSA-N 1 0 281.371 3.076 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+][C@H]2COC3(CCC3)C2)c2c1c(F)ccc2O ZINC000850523579 637102080 /nfs/dbraw/zinc/10/20/80/637102080.db2.gz AXJUSXGKYGOXOE-WZRBSPASSA-N 1 0 291.366 3.381 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1C[C@H](O)C12CCC2)c1ccc(C)cc1O ZINC000850545838 637116841 /nfs/dbraw/zinc/11/68/41/637116841.db2.gz IJYXQFDBUOYYMM-IMJJTQAJSA-N 1 0 275.392 3.045 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]CC2CCC(O)CC2)c(O)c1 ZINC000850553571 637118415 /nfs/dbraw/zinc/11/84/15/637118415.db2.gz YXNHNHCTTJNVMS-NFOMZHRRSA-N 1 0 277.408 3.211 20 10 CGCDRO CCCN1CC[C@@H]([NH2+][C@H](C)c2cc(Cl)ccc2O)C1 ZINC000850554044 637119193 /nfs/dbraw/zinc/11/91/93/637119193.db2.gz HHJVDXAJCGJOII-DGCLKSJQSA-N 1 0 282.815 3.181 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]CC2CCC(O)CC2)c2c1c(F)ccc2O ZINC000850555127 637120569 /nfs/dbraw/zinc/12/05/69/637120569.db2.gz MEZSRTKWZJNVGU-MLCFOIATSA-N 1 0 293.382 3.220 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C(C)C ZINC000850566424 637126979 /nfs/dbraw/zinc/12/69/79/637126979.db2.gz NKMHCNKGHWQXES-GOSISDBHSA-N 1 0 290.451 3.172 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1nccn1C)c1ccc(Cl)cc1O ZINC000850573165 637129914 /nfs/dbraw/zinc/12/99/14/637129914.db2.gz VMUFLOXIQBYDTL-ZJUUUORDSA-N 1 0 279.771 3.191 20 10 CGCDRO Cc1coc(C[NH2+]Cc2ccc(N(C)C)cc2C)c1 ZINC000885988238 637344362 /nfs/dbraw/zinc/34/43/62/637344362.db2.gz HAVGGYUMGQAEEZ-UHFFFAOYSA-N 1 0 258.365 3.252 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]CC[C@H]2CC(C)(C)CO2)c1 ZINC000886307007 637492354 /nfs/dbraw/zinc/49/23/54/637492354.db2.gz HPKWRSDHXAIJCE-HNNXBMFYSA-N 1 0 293.407 3.086 20 10 CGCDRO CCOc1ccc(C[NH2+]C2(C3CC3)CCC2)c(O)c1 ZINC000886392126 637524211 /nfs/dbraw/zinc/52/42/11/637524211.db2.gz WJCDIKMDIPCABS-UHFFFAOYSA-N 1 0 261.365 3.213 20 10 CGCDRO CC[C@@H]1C[N@H+](Cc2cc(C)c(C)cc2O)C[C@H](C)O1 ZINC000111167225 637783470 /nfs/dbraw/zinc/78/34/70/637783470.db2.gz VORMVXCREQSOSP-DZGCQCFKSA-N 1 0 263.381 3.008 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc(N)c2)c(O)c1C ZINC000854216740 638024681 /nfs/dbraw/zinc/02/46/81/638024681.db2.gz CYTNRFZEDHGZDI-ZDUSSCGKSA-N 1 0 270.376 3.442 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccccn1 ZINC000113312459 638185214 /nfs/dbraw/zinc/18/52/14/638185214.db2.gz JHLCQDIXTBPGHA-LBPRGKRZSA-N 1 0 273.355 3.138 20 10 CGCDRO Oc1ccccc1C[NH+]1CC(Cc2ccsc2)C1 ZINC000857067677 638449542 /nfs/dbraw/zinc/44/95/42/638449542.db2.gz DIVAQGLMJFPIRW-UHFFFAOYSA-N 1 0 259.374 3.128 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]CC[C@@H]2CC2(F)F)c1O ZINC000857080939 638453913 /nfs/dbraw/zinc/45/39/13/638453913.db2.gz LVXZYSYDWXQUQY-NXEZZACHSA-N 1 0 271.307 3.097 20 10 CGCDRO C[C@@H]([NH2+]CCC(C)(C)[NH3+])c1cccc(C(F)(F)F)c1[O-] ZINC000925739145 638591498 /nfs/dbraw/zinc/59/14/98/638591498.db2.gz UGALSYQANUVGFU-SECBINFHSA-N 1 0 290.329 3.189 20 10 CGCDRO CN(C)c1cc(F)c(C[NH2+]CC[C@H]2CC2(F)F)cc1F ZINC000858195761 638656146 /nfs/dbraw/zinc/65/61/46/638656146.db2.gz CECIMYQUOUMRPU-JTQLQIEISA-N 1 0 290.304 3.166 20 10 CGCDRO CN(C)c1cc(F)c(C[NH2+]CC[C@@H]2CC2(F)F)cc1F ZINC000858195765 638656219 /nfs/dbraw/zinc/65/62/19/638656219.db2.gz CECIMYQUOUMRPU-SNVBAGLBSA-N 1 0 290.304 3.166 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CC[C@H]2CCCOC2)cc1 ZINC000858206308 638657052 /nfs/dbraw/zinc/65/70/52/638657052.db2.gz OHJJGJHCVJUSOS-QGZVFWFLSA-N 1 0 290.451 3.439 20 10 CGCDRO C[C@@H]([NH2+]C1CC2(C1)CO[C@@H](C)C2)c1ccc(N(C)C)cc1 ZINC000926211102 638742107 /nfs/dbraw/zinc/74/21/07/638742107.db2.gz WRQBIZLGAQNWMQ-YULBZUTISA-N 1 0 288.435 3.361 20 10 CGCDRO C/C=C\C[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000858538953 638757621 /nfs/dbraw/zinc/75/76/21/638757621.db2.gz ZEPXDTBUQUYVQN-TYRPZCRBSA-N 1 0 270.170 3.381 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1ccc(C)cc1O ZINC000926934581 638827069 /nfs/dbraw/zinc/82/70/69/638827069.db2.gz HDNPAQVKNOJTCB-IVSAIRAKSA-N 1 0 287.403 3.332 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)c(O)c1C ZINC000926938186 638827232 /nfs/dbraw/zinc/82/72/32/638827232.db2.gz UBBFXEBWFQPEAU-QXSJWSMHSA-N 1 0 287.403 3.251 20 10 CGCDRO CC[C@H]([NH2+]C[C@]1(C)CCCCO1)c1ccccc1O ZINC000927017052 638831984 /nfs/dbraw/zinc/83/19/84/638831984.db2.gz IEHBLWCKNVAVJF-HOCLYGCPSA-N 1 0 263.381 3.392 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+][C@H]1c3ccccc3CC[C@H]1O)CC2 ZINC000927139161 638846644 /nfs/dbraw/zinc/84/66/44/638846644.db2.gz JEBWHAJNORPKQU-SUMDDJOVSA-N 1 0 295.382 3.018 20 10 CGCDRO CCc1ncc(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)o1 ZINC000929294038 638916584 /nfs/dbraw/zinc/91/65/84/638916584.db2.gz BZDSNFNKWAGWPZ-UHFFFAOYSA-N 1 0 299.418 3.468 20 10 CGCDRO Cc1cc(C)nc(C[NH2+][C@@H](C)c2ccccc2O)c1 ZINC000931555589 639169768 /nfs/dbraw/zinc/16/97/68/639169768.db2.gz YVTYSUWJZFPGBQ-ZDUSSCGKSA-N 1 0 256.349 3.255 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](C)c2cncc(F)c2)cc1C ZINC000155412874 639933450 /nfs/dbraw/zinc/93/34/50/639933450.db2.gz OFYUKBCGFGEAND-LBPRGKRZSA-N 1 0 274.339 3.389 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)C[C@H]2CCCO2)cc1 ZINC000159828063 640071798 /nfs/dbraw/zinc/07/17/98/640071798.db2.gz SKBZRQKCTOYMQG-QGZVFWFLSA-N 1 0 276.424 3.144 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCC(C)(C)O2)c1 ZINC000187856991 640101930 /nfs/dbraw/zinc/10/19/30/640101930.db2.gz UDBGGKMTFBINQN-STQMWFEESA-N 1 0 263.381 3.309 20 10 CGCDRO CCC[N@H+](Cc1ccccc1O)CC1(O)CCCCC1 ZINC000076073959 640173677 /nfs/dbraw/zinc/17/36/77/640173677.db2.gz UROPNAUEFGTUIX-UHFFFAOYSA-N 1 0 277.408 3.299 20 10 CGCDRO COc1ccc(N2CC[C@@H](C[NH2+]C3CCCCC3)C2)cc1 ZINC000076360680 640193935 /nfs/dbraw/zinc/19/39/35/640193935.db2.gz JGBCVDXBOHNAIW-HNNXBMFYSA-N 1 0 288.435 3.444 20 10 CGCDRO Cc1ncc(C[N@@H+](C)Cc2cc(C)c(C)cc2O)s1 ZINC000193424156 640456420 /nfs/dbraw/zinc/45/64/20/640456420.db2.gz PCQGCHUGJSRKAO-UHFFFAOYSA-N 1 0 276.405 3.406 20 10 CGCDRO CC[C@H](C)C[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000088296483 640616298 /nfs/dbraw/zinc/61/62/98/640616298.db2.gz PMEUNMMHCGRJON-HOTGVXAUSA-N 1 0 290.451 3.438 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CC[C@@H](C)[C@@H](C)C2)c1O ZINC000245755027 640635984 /nfs/dbraw/zinc/63/59/84/640635984.db2.gz OVADWWSZWBYGRF-OLZOCXBDSA-N 1 0 263.381 3.187 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCO[C@H](C)[C@H]2C)cc1C(C)C ZINC000246863482 640697452 /nfs/dbraw/zinc/69/74/52/640697452.db2.gz DCHJTBQPIAWPSZ-ZIAGYGMSSA-N 1 0 277.408 3.433 20 10 CGCDRO CC(C)CO[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000091964323 640728206 /nfs/dbraw/zinc/72/82/06/640728206.db2.gz GRVLPDXDZXQVSR-CQSZACIVSA-N 1 0 283.799 3.293 20 10 CGCDRO C[C@@H]1C[NH+](Cc2ccc(N(C)C)cc2)C[C@@H](C)S1 ZINC000092540182 640739323 /nfs/dbraw/zinc/73/93/23/640739323.db2.gz XIWXGXWGVQLVTM-CHWSQXEVSA-N 1 0 264.438 3.078 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@](C)(O)C(C)C)cc1 ZINC000248006781 640739454 /nfs/dbraw/zinc/73/94/54/640739454.db2.gz KWUXNMRXYLRTJS-RHSMWYFYSA-N 1 0 278.440 3.200 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCN2CCCC[C@H]2C)c1 ZINC000248493080 640764613 /nfs/dbraw/zinc/76/46/13/640764613.db2.gz JUETUUBMYQVBJJ-CABCVRRESA-N 1 0 276.424 3.226 20 10 CGCDRO CC[C@H](C)C[N@H+](CC)Cc1ccc(N2CCOCC2)cc1 ZINC000093844930 640782713 /nfs/dbraw/zinc/78/27/13/640782713.db2.gz FEGOMAFORXRBEN-INIZCTEOSA-N 1 0 290.451 3.391 20 10 CGCDRO Cc1csc(CC[NH2+][C@@H](C)c2cc(F)ccc2O)n1 ZINC000094618171 640800250 /nfs/dbraw/zinc/80/02/50/640800250.db2.gz PYQPMQDEDUHHSI-JTQLQIEISA-N 1 0 280.368 3.190 20 10 CGCDRO Cc1csc(CC[NH2+][C@H](C)c2cc(F)ccc2O)n1 ZINC000094618172 640800433 /nfs/dbraw/zinc/80/04/33/640800433.db2.gz PYQPMQDEDUHHSI-SNVBAGLBSA-N 1 0 280.368 3.190 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1CCC[C@H]1O)c1ccc2ccccc2c1O ZINC000251526892 640827465 /nfs/dbraw/zinc/82/74/65/640827465.db2.gz LZUDOXCPEGQBAR-RVSPLBMKSA-N 1 0 285.387 3.357 20 10 CGCDRO Oc1ccc(Cl)cc1CN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252416610 640844287 /nfs/dbraw/zinc/84/42/87/640844287.db2.gz OPGWUCFPHSTUEK-IUODEOHRSA-N 1 0 294.826 3.010 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000113318458 640975358 /nfs/dbraw/zinc/97/53/58/640975358.db2.gz KKUNHSUOKLAYIY-HNNXBMFYSA-N 1 0 295.741 3.008 20 10 CGCDRO Oc1ccc(C[NH2+]C2CCc3ccccc3CC2)c(O)c1 ZINC001254452697 806404997 /nfs/dbraw/zinc/40/49/97/806404997.db2.gz NVPRYKHHAPSYAQ-UHFFFAOYSA-N 1 0 283.371 3.135 20 10 CGCDRO Cc1cc(C)c(C[NH2+]C2Cc3ccccc3C2)c(O)c1 ZINC001255014608 806525819 /nfs/dbraw/zinc/52/58/19/806525819.db2.gz BRGSSDFUUXJOLP-UHFFFAOYSA-N 1 0 267.372 3.266 20 10 CGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)[C@@H]1CCSC1 ZINC001255292295 806598059 /nfs/dbraw/zinc/59/80/59/806598059.db2.gz GDUVGTWGJZGGEJ-OAHLLOKOSA-N 1 0 264.438 3.080 20 10 CGCDRO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(OC)c1O ZINC000037032061 798856054 /nfs/dbraw/zinc/85/60/54/798856054.db2.gz CQVSHYGNGZIKMJ-JSGCOSHPSA-N 1 0 263.381 3.459 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2Cc3ccccc3O2)c1 ZINC000038009612 798883647 /nfs/dbraw/zinc/88/36/47/798883647.db2.gz OWSSSLRRPGEQBH-UKRRQHHQSA-N 1 0 283.371 3.355 20 10 CGCDRO C[C@@H](C[NH2+]Cc1cc(Cl)ccc1O)N1CCCCC1 ZINC000038028582 798885288 /nfs/dbraw/zinc/88/52/88/798885288.db2.gz VESHOOSABPUKJD-LBPRGKRZSA-N 1 0 282.815 3.010 20 10 CGCDRO CC(C)CC[NH2+]Cc1cc(Br)ccc1O ZINC000076275413 798924116 /nfs/dbraw/zinc/92/41/16/798924116.db2.gz IUMCNLFDKMTZCC-UHFFFAOYSA-N 1 0 272.186 3.290 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H]2CCCC2(C)C)c1O ZINC000094266114 798969172 /nfs/dbraw/zinc/96/91/72/798969172.db2.gz RCBZZBLUNMSECC-CQSZACIVSA-N 1 0 263.381 3.459 20 10 CGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]CC1CCOCC1 ZINC000111154277 798983404 /nfs/dbraw/zinc/98/34/04/798983404.db2.gz JFTPIBISSBXZJH-JSGCOSHPSA-N 1 0 275.392 3.265 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000163369272 799082589 /nfs/dbraw/zinc/08/25/89/799082589.db2.gz LWICZXJQHKBDEI-GOSISDBHSA-N 1 0 289.467 3.059 20 10 CGCDRO C[C@H]([NH2+]CC1(CO)CCC1)c1ccc2ccccc2c1O ZINC000186547257 799117841 /nfs/dbraw/zinc/11/78/41/799117841.db2.gz KNGJRXPMTLMPQB-ZDUSSCGKSA-N 1 0 285.387 3.359 20 10 CGCDRO FCCCC[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000310924368 799222816 /nfs/dbraw/zinc/22/28/16/799222816.db2.gz CCOGGFKKINVKFN-UHFFFAOYSA-N 1 0 250.361 3.126 20 10 CGCDRO C[C@H]([NH2+]CCc1cn[nH]c1)c1ccc2ccccc2c1O ZINC000379586383 799351491 /nfs/dbraw/zinc/35/14/91/799351491.db2.gz JIWCWWGDATUWEZ-LBPRGKRZSA-N 1 0 281.359 3.162 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CCCCF)cc1 ZINC000380950955 799369655 /nfs/dbraw/zinc/36/96/55/799369655.db2.gz PRWLPUFQWXKORY-UHFFFAOYSA-N 1 0 252.377 3.372 20 10 CGCDRO CC[C@H](C)[C@@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)OC ZINC000381120115 799373815 /nfs/dbraw/zinc/37/38/15/799373815.db2.gz FBQVSKFXSFPNBX-MAUKXSAKSA-N 1 0 290.451 3.438 20 10 CGCDRO C[C@H]([NH2+]Cc1cncn1C)c1ccc2ccccc2c1O ZINC000384608209 799417010 /nfs/dbraw/zinc/41/70/10/799417010.db2.gz YDTGTKXWLZVBBC-LBPRGKRZSA-N 1 0 281.359 3.130 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H](C)CC(C)(C)C)c1 ZINC000384480856 799417414 /nfs/dbraw/zinc/41/74/14/799417414.db2.gz YDOXDXXZMVROHI-NSHDSACASA-N 1 0 251.370 3.315 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000385468760 799426071 /nfs/dbraw/zinc/42/60/71/799426071.db2.gz FMOKXLHCGOYHDQ-VIFPVBQESA-N 1 0 279.689 3.430 20 10 CGCDRO C[C@@H]([NH2+]C[C@@](C)(O)C1CC1)c1ccc2ccccc2c1O ZINC000386955994 799442031 /nfs/dbraw/zinc/44/20/31/799442031.db2.gz OFYZTMZHZLDEDC-KZULUSFZSA-N 1 0 285.387 3.357 20 10 CGCDRO CC[C@@H]1C[C@H]1C[NH2+]Cc1cc(Br)ccc1O ZINC000388152398 799450317 /nfs/dbraw/zinc/45/03/17/799450317.db2.gz FFXHPIJEJNEBHV-ZJUUUORDSA-N 1 0 284.197 3.290 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)[C@@H](OC)C2CC2)cc1 ZINC000388317945 799452259 /nfs/dbraw/zinc/45/22/59/799452259.db2.gz VWQCHTAXVSKVFS-RDTXWAMCSA-N 1 0 290.451 3.436 20 10 CGCDRO CO[C@](C)(C[NH2+][C@@H](C)c1cc(C)ccc1O)C1CC1 ZINC000388897191 799457699 /nfs/dbraw/zinc/45/76/99/799457699.db2.gz UFLDANJEUXYEOP-BLLLJJGKSA-N 1 0 263.381 3.166 20 10 CGCDRO CCc1nc(C)c(C[NH2+]Cc2cc(Cl)ccc2O)o1 ZINC000389255664 799461072 /nfs/dbraw/zinc/46/10/72/799461072.db2.gz DWOIONSNKHRFCP-UHFFFAOYSA-N 1 0 280.755 3.194 20 10 CGCDRO Cc1cccc(C[NH2+]C[C@@H]2CCCC2(F)F)c1O ZINC000390667663 799473320 /nfs/dbraw/zinc/47/33/20/799473320.db2.gz NEOGXCJFONWJDS-LBPRGKRZSA-N 1 0 255.308 3.226 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1CCCC1(F)F)c1ccccc1O ZINC000390708443 799473354 /nfs/dbraw/zinc/47/33/54/799473354.db2.gz VZHBTHCQSNRSAU-QWRGUYRKSA-N 1 0 255.308 3.478 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]CCCc1nccs1 ZINC000391135791 799476792 /nfs/dbraw/zinc/47/67/92/799476792.db2.gz PIKPVDDRVWYDFB-UHFFFAOYSA-N 1 0 282.796 3.225 20 10 CGCDRO Cc1cc(Br)cc(C[NH2+][C@H]2CC[C@H]2C)c1O ZINC000393792245 799490831 /nfs/dbraw/zinc/49/08/31/799490831.db2.gz HQYAHVBLYRWXCY-PELKAZGASA-N 1 0 284.197 3.351 20 10 CGCDRO CCOC1(C[NH2+]Cc2c(O)cccc2Cl)CCCC1 ZINC000394110405 799494530 /nfs/dbraw/zinc/49/45/30/799494530.db2.gz MOKODTTYUBKXEB-UHFFFAOYSA-N 1 0 283.799 3.485 20 10 CGCDRO COc1cccc(C[NH2+]C[C@H](C)CC(F)(F)F)c1O ZINC000396903070 799511167 /nfs/dbraw/zinc/51/11/67/799511167.db2.gz HGMUBPSHWHEVEN-SECBINFHSA-N 1 0 277.286 3.079 20 10 CGCDRO COc1ccc(C[NH2+]Cc2cnc(C)cc2C)cc1C ZINC000396979526 799512291 /nfs/dbraw/zinc/51/22/91/799512291.db2.gz MMMHESGCQICFRY-UHFFFAOYSA-N 1 0 270.376 3.305 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CS[C@H](C)C2)c(O)c1 ZINC000397866225 799522093 /nfs/dbraw/zinc/52/20/93/799522093.db2.gz AFNZDVGMLNTFRK-GRYCIOLGSA-N 1 0 251.395 3.245 20 10 CGCDRO Oc1ccc(Br)cc1C[NH+]1C2CCC1CC2 ZINC000398925622 799533060 /nfs/dbraw/zinc/53/30/60/799533060.db2.gz WGRZIQPUXQTAPW-UHFFFAOYSA-N 1 0 282.181 3.282 20 10 CGCDRO CCCN(Cc1ccc(C)nc1)c1ccc(C[NH3+])cc1 ZINC000405719932 799587000 /nfs/dbraw/zinc/58/70/00/799587000.db2.gz UCVJXJGZFDKSTQ-UHFFFAOYSA-N 1 0 269.392 3.265 20 10 CGCDRO Cc1cccc(CC[NH2+]Cc2cc(Cl)ccc2O)n1 ZINC000689431916 799764352 /nfs/dbraw/zinc/76/43/52/799764352.db2.gz JJRVUUHIBKMGBC-UHFFFAOYSA-N 1 0 276.767 3.081 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCc2ccc(C)o2)c1 ZINC000689854096 799770320 /nfs/dbraw/zinc/77/03/20/799770320.db2.gz LCUZNYNLVPCZIS-LBPRGKRZSA-N 1 0 275.348 3.196 20 10 CGCDRO CCc1cccc(C[NH2+]CCc2ccc(C)o2)c1O ZINC000691473403 799784327 /nfs/dbraw/zinc/78/43/27/799784327.db2.gz JLILQMFWAPZDPC-UHFFFAOYSA-N 1 0 259.349 3.188 20 10 CGCDRO CCc1cccc(C[NH2+][C@H]2CC[C@H](SC)C2)c1O ZINC000691501300 799785116 /nfs/dbraw/zinc/78/51/16/799785116.db2.gz VBPTYZAYALRUSD-KBPBESRZSA-N 1 0 265.422 3.328 20 10 CGCDRO c1cc(C[NH2+]C2CCC3(CC3)CC2)cc2c1OCC2 ZINC000695717787 799833691 /nfs/dbraw/zinc/83/36/91/799833691.db2.gz QGTJGKPQCGVGGN-UHFFFAOYSA-N 1 0 257.377 3.434 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]CC2=CCCC2)c1O ZINC000702341999 799908423 /nfs/dbraw/zinc/90/84/23/799908423.db2.gz RXTZDXOSHVIPGI-UHFFFAOYSA-N 1 0 267.756 3.254 20 10 CGCDRO Oc1cccc(Br)c1C[NH2+]CCCC1CC1 ZINC000706863898 799969501 /nfs/dbraw/zinc/96/95/01/799969501.db2.gz YRZWSENROOVDEY-UHFFFAOYSA-N 1 0 284.197 3.435 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H]2CCCC23CC3)c1O ZINC000706917952 799969050 /nfs/dbraw/zinc/96/90/50/799969050.db2.gz WOJVTZPZUCWMJQ-CQSZACIVSA-N 1 0 261.365 3.213 20 10 CGCDRO COc1cccc(C[NH2+]C[C@@]23C[C@@H]2CCCC3)c1O ZINC000710494537 800035313 /nfs/dbraw/zinc/03/53/13/800035313.db2.gz TWRVSNCGIDUACP-XJKSGUPXSA-N 1 0 261.365 3.071 20 10 CGCDRO C[C@H]([NH2+][C@H](C1CCC1)[C@@H]1CCOC1)c1ccccc1O ZINC000711873233 800077233 /nfs/dbraw/zinc/07/72/33/800077233.db2.gz DHYUPQBNHPLVLD-DXCKQFNASA-N 1 0 275.392 3.248 20 10 CGCDRO COC(C)(C)CC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000711902981 800080421 /nfs/dbraw/zinc/08/04/21/800080421.db2.gz FSWCQVXQGFMMHN-ZDUSSCGKSA-N 1 0 264.413 3.218 20 10 CGCDRO CO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc(C)ccc2O)C12CCC2 ZINC000713481876 800111170 /nfs/dbraw/zinc/11/11/70/800111170.db2.gz ZFPBTVFGOLJLES-VBNZEHGJSA-N 1 0 275.392 3.309 20 10 CGCDRO C=C/C=C\CC[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000713502691 800112305 /nfs/dbraw/zinc/11/23/05/800112305.db2.gz FCVHLCGSJZAZQW-PLNGDYQASA-N 1 0 267.756 3.276 20 10 CGCDRO CO[C@H]1C[C@H](C[NH2+]Cc2c(C)c3ccccc3n2C)C1 ZINC000714701564 800127333 /nfs/dbraw/zinc/12/73/33/800127333.db2.gz ALONUFLMPSDPJO-HDJSIYSDSA-N 1 0 272.392 3.001 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)cc1 ZINC001256015071 806805557 /nfs/dbraw/zinc/80/55/57/806805557.db2.gz CHVPDQCWRZPQQC-AEFFLSMTSA-N 1 0 288.435 3.144 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CC(C)(C)CO2)c(O)c1 ZINC000717324154 800199965 /nfs/dbraw/zinc/19/99/65/800199965.db2.gz VJOZIQJNRVQTRS-QWHCGFSZSA-N 1 0 263.381 3.166 20 10 CGCDRO CO[C@@H]1CCC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000718286278 800214823 /nfs/dbraw/zinc/21/48/23/800214823.db2.gz PIHXIPVBBRKKBA-JKSUJKDBSA-N 1 0 275.392 3.059 20 10 CGCDRO CO[C@H]1CCC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000718286268 800215491 /nfs/dbraw/zinc/21/54/91/800215491.db2.gz PIHXIPVBBRKKBA-CVEARBPZSA-N 1 0 275.392 3.059 20 10 CGCDRO COCC(C)(C)CC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000718663872 800218375 /nfs/dbraw/zinc/21/83/75/800218375.db2.gz HRMNOSBEKNMDIN-AWEZNQCLSA-N 1 0 278.440 3.466 20 10 CGCDRO COC(C)(C)[C@@H](C)[NH2+][C@H](C)c1ccc(C)cc1O ZINC000720202346 800253975 /nfs/dbraw/zinc/25/39/75/800253975.db2.gz FTHXZMXRSXDNLU-VXGBXAGGSA-N 1 0 251.370 3.165 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H](CC)[C@H]2CCCOC2)c1O ZINC000723958167 800345958 /nfs/dbraw/zinc/34/59/58/800345958.db2.gz DNVZXTRLQUUVEK-HOTGVXAUSA-N 1 0 277.408 3.249 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](CCO)C2CCCC2)c(O)c1 ZINC000725073665 800372321 /nfs/dbraw/zinc/37/23/21/800372321.db2.gz ZXPCOKFZLOFQNM-BBRMVZONSA-N 1 0 277.408 3.292 20 10 CGCDRO COc1cccc(C[C@@H](C)[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC001256145730 806834753 /nfs/dbraw/zinc/83/47/53/806834753.db2.gz JQKREROSJOBVAD-CQSZACIVSA-N 1 0 297.398 3.351 20 10 CGCDRO COc1ccc(C[NH2+]C2[C@H](C)CCC[C@H]2C)c(O)c1OC ZINC000892711081 800567943 /nfs/dbraw/zinc/56/79/43/800567943.db2.gz ARCVBVIVKURSLB-VXGBXAGGSA-N 1 0 293.407 3.324 20 10 CGCDRO Cc1ccc(C[NH2+][C@H](C)c2ccc3c(c2)CCO3)c(O)c1 ZINC000897417853 800590207 /nfs/dbraw/zinc/59/02/07/800590207.db2.gz BWPYYKMGDNGOOT-CYBMUJFWSA-N 1 0 283.371 3.486 20 10 CGCDRO CC[N@H+](Cc1ccccc1O)[C@@H](C)Cc1ccccn1 ZINC001256420908 806892760 /nfs/dbraw/zinc/89/27/60/806892760.db2.gz GWTZAVZLBCOYCZ-AWEZNQCLSA-N 1 0 270.376 3.240 20 10 CGCDRO CCn1ccc(C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3C)n1 ZINC001118008077 802519121 /nfs/dbraw/zinc/51/91/21/802519121.db2.gz XSYMTEFGGAVTMU-GXTWGEPZSA-N 1 0 285.391 3.255 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+][C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001118587903 802587599 /nfs/dbraw/zinc/58/75/99/802587599.db2.gz LEPHNFKAQATURO-UTUOFQBUSA-N 1 0 271.282 3.055 20 10 CGCDRO COc1cc(C)cc(C[N@H+](C)[C@@H]2CC[C@H](SC)C2)c1O ZINC001119496078 802671997 /nfs/dbraw/zinc/67/19/97/802671997.db2.gz HAAOZMBFZINISQ-KGLIPLIRSA-N 1 0 295.448 3.425 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)c1O ZINC001119511855 802674887 /nfs/dbraw/zinc/67/48/87/802674887.db2.gz IJQIQCBKKZUIJA-FRRDWIJNSA-N 1 0 297.345 3.233 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1COC[C@H]1C1CC1 ZINC001120258018 802736606 /nfs/dbraw/zinc/73/66/06/802736606.db2.gz CMCRANSLFHSPBI-UQOMUDLDSA-N 1 0 287.403 3.264 20 10 CGCDRO Cc1nc(C(C)(C)[NH2+]Cc2ccc(N)cc2)sc1C ZINC001120370773 802742632 /nfs/dbraw/zinc/74/26/32/802742632.db2.gz DXOBUFXVJPOOAU-UHFFFAOYSA-N 1 0 275.421 3.367 20 10 CGCDRO Nc1ccc(C[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)cc1 ZINC001120370888 802742739 /nfs/dbraw/zinc/74/27/39/802742739.db2.gz IPFCUYFGVFVGRM-IBGZPJMESA-N 1 0 296.414 3.450 20 10 CGCDRO Cc1c(C[NH+]2C[C@H](C)O[C@@H](C)C2)c2ccccc2n1C ZINC001138252639 803880330 /nfs/dbraw/zinc/88/03/30/803880330.db2.gz OBFARAXJEFDAQR-STQMWFEESA-N 1 0 272.392 3.096 20 10 CGCDRO Cc1c(C[N@@H+]2CCC[C@](C)(O)CC2)c2ccccc2n1C ZINC001138252432 803880469 /nfs/dbraw/zinc/88/04/69/803880469.db2.gz HGCZJTIMCURWSQ-SFHVURJKSA-N 1 0 286.419 3.224 20 10 CGCDRO Cc1c(C[N@H+]2C[C@H](C)N(C)C[C@H]2C)c2ccccc2n1C ZINC001138254037 803881367 /nfs/dbraw/zinc/88/13/67/803881367.db2.gz OJNCCGDLJNWILI-UONOGXRCSA-N 1 0 285.435 3.011 20 10 CGCDRO Cc1c(C[N@@H+]2CCC[C@@]23CCOC3)c2ccccc2n1C ZINC001138257969 803884283 /nfs/dbraw/zinc/88/42/83/803884283.db2.gz FUQCBBKDCXJMFI-SFHVURJKSA-N 1 0 284.403 3.242 20 10 CGCDRO CCO[C@@H]1CC[N@H+](Cc2c(C)n(C)c3ccccc32)C1 ZINC001138259575 803885339 /nfs/dbraw/zinc/88/53/39/803885339.db2.gz JPQYKQGTBQSNAR-CQSZACIVSA-N 1 0 272.392 3.098 20 10 CGCDRO CSC1CC[NH+](Cc2ccc3c(c2)CCCN3C)CC1 ZINC001138358725 803902063 /nfs/dbraw/zinc/90/20/63/803902063.db2.gz YOBFOGXGOGRUKX-UHFFFAOYSA-N 1 0 290.476 3.396 20 10 CGCDRO CC[C@H]1CCC[N@@H+]1Cc1ccc2c(c1)CCCN2C ZINC001138358674 803902130 /nfs/dbraw/zinc/90/21/30/803902130.db2.gz XGANGWYMPXFKBY-INIZCTEOSA-N 1 0 258.409 3.443 20 10 CGCDRO Cc1cc(C[N@@H+]2CCc3cccnc3C2)ccc1N(C)C ZINC001139674148 804247920 /nfs/dbraw/zinc/24/79/20/804247920.db2.gz RGLLZVRLWSNWPO-UHFFFAOYSA-N 1 0 281.403 3.014 20 10 CGCDRO Cc1cc(C[N@@H+]2CCc3ccncc3C2)ccc1N(C)C ZINC001139672985 804248253 /nfs/dbraw/zinc/24/82/53/804248253.db2.gz MOGPMBOFOLLBFQ-UHFFFAOYSA-N 1 0 281.403 3.014 20 10 CGCDRO Cc1cc(C[N@@H+]2CC[C@](C)(CF)C2)ccc1N(C)C ZINC001139670133 804248374 /nfs/dbraw/zinc/24/83/74/804248374.db2.gz XJVJFUTZUMOELF-MRXNPFEDSA-N 1 0 264.388 3.243 20 10 CGCDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC001140055229 804362029 /nfs/dbraw/zinc/36/20/29/804362029.db2.gz OGLQNDYVPGUQGN-ZDUSSCGKSA-N 1 0 286.350 3.306 20 10 CGCDRO CC(C)[N@H+](CCCCCO)Cc1c([O-])cc(F)cc1F ZINC001140585739 804467991 /nfs/dbraw/zinc/46/79/91/804467991.db2.gz SQCIZFLQVKBRBJ-UHFFFAOYSA-N 1 0 287.350 3.043 20 10 CGCDRO Cc1ccc(O)c(C[N@H+](C)CCCC(=O)c2cccnc2)c1 ZINC001140620976 804476166 /nfs/dbraw/zinc/47/61/66/804476166.db2.gz JKXKPXRWMWPUDC-UHFFFAOYSA-N 1 0 298.386 3.191 20 10 CGCDRO COC(=O)CC[N@H+](Cc1cc(C)ccc1O)C1CCCC1 ZINC001140621361 804476741 /nfs/dbraw/zinc/47/67/41/804476741.db2.gz ZBBAAOPJQKZYCH-UHFFFAOYSA-N 1 0 291.391 3.008 20 10 CGCDRO Cc1cccc2c1CC[N@H+](Cc1ccc(O)c(C)c1O)C2 ZINC001140742146 804502472 /nfs/dbraw/zinc/50/24/72/804502472.db2.gz IJXBQMZWTPFDLE-UHFFFAOYSA-N 1 0 283.371 3.273 20 10 CGCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@H](c3ccccc3)C2)c1O ZINC001140742630 804503370 /nfs/dbraw/zinc/50/33/70/804503370.db2.gz SSKUYZCNBQFFEC-HNNXBMFYSA-N 1 0 283.371 3.396 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](C)C2)c(O)c1 ZINC001140850134 804533208 /nfs/dbraw/zinc/53/32/08/804533208.db2.gz DUAIKTXEODVRIB-ZDUSSCGKSA-N 1 0 262.397 3.080 20 10 CGCDRO CCN(CC)c1ccc(C[NH+]2CCCCC2)c(O)c1 ZINC001140851702 804533977 /nfs/dbraw/zinc/53/39/77/804533977.db2.gz ORSKXHIFKGZGDA-UHFFFAOYSA-N 1 0 262.397 3.224 20 10 CGCDRO C[C@@H]1CN(Cc2ccc(N(C)C)cc2Cl)C[C@H](C)O1 ZINC001140921469 804548857 /nfs/dbraw/zinc/54/88/57/804548857.db2.gz DWROVQJCNQZFNO-TXEJJXNPSA-N 1 0 282.815 3.015 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCC(=O)[C@H]3CCCC[C@@H]32)c(O)c1 ZINC001140948688 804555717 /nfs/dbraw/zinc/55/57/17/804555717.db2.gz VSAHRZPKCDXNCT-GJZGRUSLSA-N 1 0 273.376 3.034 20 10 CGCDRO Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)c(O)c1 ZINC001140948133 804555771 /nfs/dbraw/zinc/55/57/71/804555771.db2.gz UXGHJHNZQFHGDH-BETUJISGSA-N 1 0 267.319 3.178 20 10 CGCDRO Cc1ccc(C[NH+]2CCC3(CCCOC3)CC2)c(O)c1 ZINC001140958255 804558411 /nfs/dbraw/zinc/55/84/11/804558411.db2.gz WCRYBNQCGKFSDL-UHFFFAOYSA-N 1 0 275.392 3.093 20 10 CGCDRO CC1(C)C[NH+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141074280 804584786 /nfs/dbraw/zinc/58/47/86/804584786.db2.gz DWSRNAOSVZNVOT-UHFFFAOYSA-N 1 0 270.420 3.227 20 10 CGCDRO c1c(C[N@@H+]2CCC3(CC3)C2)cc2c3c1CCCN3CCC2 ZINC001141075477 804585220 /nfs/dbraw/zinc/58/52/20/804585220.db2.gz RBUIGNWTYRKABW-UHFFFAOYSA-N 1 0 282.431 3.371 20 10 CGCDRO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1ccc2c(c1)OCCN2C ZINC001141142830 804596384 /nfs/dbraw/zinc/59/63/84/804596384.db2.gz BYUPMMYIJMEKPQ-UONOGXRCSA-N 1 0 274.408 3.136 20 10 CGCDRO Oc1ccc(O)c(C[N@@H+]2CCC[C@H](Oc3ccccc3)C2)c1 ZINC001141159088 804599681 /nfs/dbraw/zinc/59/96/81/804599681.db2.gz YMQXEKMXRZQQKL-KRWDZBQOSA-N 1 0 299.370 3.141 20 10 CGCDRO CC(C)(C)c1cccc(C[N@@H+]2CCCC[C@@H]2CO)c1O ZINC001143101910 804801082 /nfs/dbraw/zinc/80/10/82/804801082.db2.gz OUHZPTUPINGHJJ-CQSZACIVSA-N 1 0 277.408 3.037 20 10 CGCDRO CC(C)(C)c1cccc(C[N@@H+]2CCC[C@@](C)(O)C2)c1O ZINC001143110611 804804275 /nfs/dbraw/zinc/80/42/75/804804275.db2.gz LGWXYQFJKZKTSO-QGZVFWFLSA-N 1 0 277.408 3.037 20 10 CGCDRO COc1nccc(Cl)c1CN(C)Cc1ccccc1O ZINC001248795413 804993299 /nfs/dbraw/zinc/99/32/99/804993299.db2.gz CXKGYAWJERSJKP-UHFFFAOYSA-N 1 0 292.766 3.081 20 10 CGCDRO CC1(C)C[N@H+](Cc2c(O)cc(O)cc2O)Cc2ccccc21 ZINC001144515033 804998023 /nfs/dbraw/zinc/99/80/23/804998023.db2.gz CBGCHUFHDCTPKZ-UHFFFAOYSA-N 1 0 299.370 3.097 20 10 CGCDRO CC1(C)C=Cc2c(O)c(C[NH+]3CC4CC(C4)C3)ccc2O1 ZINC001249258944 805121726 /nfs/dbraw/zinc/12/17/26/805121726.db2.gz OTMINEOHNFVPJO-UHFFFAOYSA-N 1 0 285.387 3.418 20 10 CGCDRO CCC[C@@H](CC)[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001257266580 807081706 /nfs/dbraw/zinc/08/17/06/807081706.db2.gz PGLIALMTHFBECH-CQSZACIVSA-N 1 0 263.381 3.425 20 10 CGCDRO CCCCC(CCCC)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001258383534 807434114 /nfs/dbraw/zinc/43/41/14/807434114.db2.gz YDNCVRHGSOJJFQ-QGZVFWFLSA-N 1 0 295.423 3.470 20 10 CGCDRO C[C@H](Cc1cccnc1)[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC001258634204 807519870 /nfs/dbraw/zinc/51/98/70/807519870.db2.gz PHBBBUYBVWMNDI-OAHLLOKOSA-N 1 0 283.419 3.211 20 10 CGCDRO COc1ccc(N2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)cc1 ZINC001258817588 807634585 /nfs/dbraw/zinc/63/45/85/807634585.db2.gz XCZRANHXWCRDOZ-WBVHZDCISA-N 1 0 288.435 3.396 20 10 CGCDRO Fc1cccc2c1C[C@@H]([NH2+]Cc1ccc3c(c1)CCO3)C2 ZINC001171776687 808135731 /nfs/dbraw/zinc/13/57/31/808135731.db2.gz ZRFPWNQSABUGQD-HNNXBMFYSA-N 1 0 283.346 3.018 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)[C@H]2Cc3cccc(F)c3C2)cc1 ZINC001171809287 808146133 /nfs/dbraw/zinc/14/61/33/808146133.db2.gz IVVYQRTXTBRBTM-KRWDZBQOSA-N 1 0 298.405 3.491 20 10 CGCDRO CC[C@H](C)OCC[C@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC001172320654 808230313 /nfs/dbraw/zinc/23/03/13/808230313.db2.gz YWXNYQUMVYPZQL-KBPBESRZSA-N 1 0 277.408 3.305 20 10 CGCDRO CC[N@H+](Cc1ccccc1O)[C@H](C)CCCCC(=O)OC ZINC001173459853 808641227 /nfs/dbraw/zinc/64/12/27/808641227.db2.gz GAOAHKOIDXOGOJ-CQSZACIVSA-N 1 0 293.407 3.336 20 10 CGCDRO C[N@H+](Cc1ccccc1O)C1Cc2cc(F)c(F)cc2C1 ZINC001173484771 808644610 /nfs/dbraw/zinc/64/46/10/808644610.db2.gz WMPZBGKUEKIRNP-UHFFFAOYSA-N 1 0 289.325 3.270 20 10 CGCDRO CC(=O)Oc1ccc(C[NH2+][C@H](C)c2ccccc2O)cc1 ZINC001175418095 809397277 /nfs/dbraw/zinc/39/72/77/809397277.db2.gz DPQRUWNOHXEXEW-GFCCVEGCSA-N 1 0 285.343 3.168 20 10 CGCDRO CC(C)OCCCC[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC001178291016 809857374 /nfs/dbraw/zinc/85/73/74/809857374.db2.gz QEOTVISIXSMBBO-UHFFFAOYSA-N 1 0 282.403 3.187 20 10 CGCDRO CN(C)c1cc(F)c(C[NH2+][C@H]2CCCC23CC3)cc1F ZINC001179321289 809915067 /nfs/dbraw/zinc/91/50/67/809915067.db2.gz SQSFCTRHECTJJH-HNNXBMFYSA-N 1 0 280.362 3.453 20 10 CGCDRO C[C@@]1(C[NH2+]Cc2ccc(Cl)cc2O)CCO[C@H]1C1CC1 ZINC001180592109 810012596 /nfs/dbraw/zinc/01/25/96/810012596.db2.gz BSLWUWOWBUKNPJ-HOTGVXAUSA-N 1 0 295.810 3.340 20 10 CGCDRO COc1ccccc1C[C@H](C)[NH2+]Cc1ccc(C)cc1O ZINC001181336542 810048301 /nfs/dbraw/zinc/04/83/01/810048301.db2.gz JHUBOZHAGJXLBC-AWEZNQCLSA-N 1 0 285.387 3.430 20 10 CGCDRO COc1cc(C)c(C[NH2+]C[C@@]23C[C@@H]2CCCC3)c(O)c1 ZINC001183834891 810164189 /nfs/dbraw/zinc/16/41/89/810164189.db2.gz WYONSNZXGDVCPF-SUMWQHHRSA-N 1 0 275.392 3.379 20 10 CGCDRO Oc1cc(Br)ccc1C[NH2+][C@@H]1C[C@H]2CCC[C@H]21 ZINC001184250159 810185497 /nfs/dbraw/zinc/18/54/97/810185497.db2.gz CRHPCAWSWPJJIN-OASPWFOLSA-N 1 0 296.208 3.433 20 10 CGCDRO Cc1cc(Nc2ccc(OC(F)(F)F)cc2O)cc[nH+]1 ZINC001214386857 815403262 /nfs/dbraw/zinc/40/32/62/815403262.db2.gz OEMRLKAESAEBRH-UHFFFAOYSA-N 1 0 284.237 3.160 20 10 CGCDRO CC[C@H](C)[C@](C)(O)C[NH2+]Cc1c(C)c2ccccc2n1C ZINC001200459873 811694295 /nfs/dbraw/zinc/69/42/95/811694295.db2.gz NQNJWJOSANDGIK-SCLBCKFNSA-N 1 0 288.435 3.373 20 10 CGCDRO CCOCc1cc(C[NH2+][C@H](CC)CSC)ccc1OC ZINC001201769304 811963804 /nfs/dbraw/zinc/96/38/04/811963804.db2.gz FBGUNZWWHJBEAR-OAHLLOKOSA-N 1 0 297.464 3.463 20 10 CGCDRO C[C@H]1CC([NH2+]Cc2ccc(N3CCCC3)cc2)C[C@H](C)O1 ZINC001201842655 811971126 /nfs/dbraw/zinc/97/11/26/811971126.db2.gz NXKSWUQMJRFUAF-GJZGRUSLSA-N 1 0 288.435 3.332 20 10 CGCDRO CCc1cc(C[N@@H+](CC)Cc2ccc(N(C)C)cc2)on1 ZINC001203227453 812273791 /nfs/dbraw/zinc/27/37/91/812273791.db2.gz DSTQQVKAEKHZOY-UHFFFAOYSA-N 1 0 287.407 3.325 20 10 CGCDRO COc1cccc(C[N@H+](Cc2ccco2)C2CC2)c1O ZINC001203599503 812405626 /nfs/dbraw/zinc/40/56/26/812405626.db2.gz GSWQBHUFRLWNHR-UHFFFAOYSA-N 1 0 273.332 3.158 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CC[C@@H]3CCC[C@@H]3C2)c1O ZINC001203603955 812405761 /nfs/dbraw/zinc/40/57/61/812405761.db2.gz XUPQGHNVTOGWHN-UONOGXRCSA-N 1 0 275.392 3.413 20 10 CGCDRO COc1ccc(C[N@@H+]2CCc3c(C)cccc3C2)c(O)c1 ZINC001203621528 812409689 /nfs/dbraw/zinc/40/96/89/812409689.db2.gz WVUQGOJBLKLNKW-UHFFFAOYSA-N 1 0 283.371 3.268 20 10 CGCDRO COc1ccc(C[N@H+](C)Cc2cccc(C)c2)c(O)c1 ZINC001203620825 812409717 /nfs/dbraw/zinc/40/97/17/812409717.db2.gz JGPYOAIGRJEXOK-UHFFFAOYSA-N 1 0 271.360 3.341 20 10 CGCDRO C[N@@H+]1CCN(Cc2cc(Cl)ccc2O)C2(CCCC2)C1 ZINC001203665526 812422901 /nfs/dbraw/zinc/42/29/01/812422901.db2.gz NUVJHDWVYVMQAT-UHFFFAOYSA-N 1 0 294.826 3.106 20 10 CGCDRO C[N@H+](CCc1ccc(Cl)cc1)Cc1ccc(O)c(O)c1 ZINC001203880891 812479593 /nfs/dbraw/zinc/47/95/93/812479593.db2.gz CCTINHQIVXKHHT-UHFFFAOYSA-N 1 0 291.778 3.426 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@H](F)C2)cc1 ZINC001203929469 812494196 /nfs/dbraw/zinc/49/41/96/812494196.db2.gz DIDSNTAPBBDTFD-AWEZNQCLSA-N 1 0 250.361 3.077 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H]3CCC[C@@H]3C2)cc1 ZINC001203931187 812495082 /nfs/dbraw/zinc/49/50/82/812495082.db2.gz OBNXMZMOWGTRKY-HZPDHXFCSA-N 1 0 258.409 3.375 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+]2CCC(=O)[C@H](C)CC2)cc1 ZINC001203939610 812497223 /nfs/dbraw/zinc/49/72/23/812497223.db2.gz DQOXLRDNBNVHRT-OAHLLOKOSA-N 1 0 288.435 3.334 20 10 CGCDRO CN(C)c1ccc(C[N@H+]2CC[C@H](N(C)C)C2)c2ccccc21 ZINC001204232907 812580631 /nfs/dbraw/zinc/58/06/31/812580631.db2.gz LPLORFMOADSIID-INIZCTEOSA-N 1 0 297.446 3.042 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@]23CCOC3)c2ccccc21 ZINC001204240534 812583603 /nfs/dbraw/zinc/58/36/03/812583603.db2.gz XAFLICMHOZBFOR-LJQANCHMSA-N 1 0 296.414 3.271 20 10 CGCDRO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(O)cc2O)cc1 ZINC001204275642 812593705 /nfs/dbraw/zinc/59/37/05/812593705.db2.gz XNGWBNNMSQKLNG-QGZVFWFLSA-N 1 0 299.370 3.444 20 10 CGCDRO CC[N@H+](Cc1cccc(F)c1)Cc1ccc(O)cc1O ZINC001204281165 812596452 /nfs/dbraw/zinc/59/64/52/812596452.db2.gz RUOAVWDBJPORKD-UHFFFAOYSA-N 1 0 275.323 3.259 20 10 CGCDRO CC(C)c1ccc(O)c(CN2CC[NH+](C3CCC3)CC2)c1 ZINC001204790922 812737788 /nfs/dbraw/zinc/73/77/88/812737788.db2.gz QBPUYZVTUFRUNS-UHFFFAOYSA-N 1 0 288.435 3.186 20 10 CGCDRO CC(C)(C)c1ccc(O)c(CN2CCCC[C@H]2C[NH3+])c1 ZINC001204933104 812783807 /nfs/dbraw/zinc/78/38/07/812783807.db2.gz QPVNCYOOKZLFMG-HNNXBMFYSA-N 1 0 276.424 3.003 20 10 CGCDRO Oc1cccc2c1C[N@H+](Cc1ccc3[nH]ccc3c1)CC2 ZINC001205606539 813022594 /nfs/dbraw/zinc/02/25/94/813022594.db2.gz XFUMFZGUIYWNEJ-UHFFFAOYSA-N 1 0 278.355 3.432 20 10 CGCDRO CCN(CC)c1ccc(CN2C[C@@H](C)CC[C@H]2C[NH3+])cc1 ZINC001205805849 813086651 /nfs/dbraw/zinc/08/66/51/813086651.db2.gz SEDSTXGNDWANIM-YJBOKZPZSA-N 1 0 289.467 3.092 20 10 CGCDRO CC(C)c1ccc(O)c(CN(C)C[C@H]2CCC[N@@H+]2C)c1 ZINC001206350340 813299591 /nfs/dbraw/zinc/29/95/91/813299591.db2.gz HXTJETFXRILUEE-MRXNPFEDSA-N 1 0 276.424 3.042 20 10 CGCDRO CS[C@@H](C)CC[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC001208150139 813709837 /nfs/dbraw/zinc/70/98/37/813709837.db2.gz PVNRTRFZSPDTLR-ZDUSSCGKSA-N 1 0 266.454 3.326 20 10 CGCDRO C[N@H+]1CC=C(Nc2ccc(Cc3ccc(N)cc3)cc2)CC1 ZINC001208859709 813871800 /nfs/dbraw/zinc/87/18/00/813871800.db2.gz YBAKRBSTIJGCDJ-UHFFFAOYSA-N 1 0 293.414 3.491 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CCC3(COC3)C2)cc1 ZINC001209516790 814072007 /nfs/dbraw/zinc/07/20/07/814072007.db2.gz OOQHQSNTJZPDNS-UHFFFAOYSA-N 1 0 296.414 3.316 20 10 CGCDRO Oc1cc(Cl)ccc1CN1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222272268 816392621 /nfs/dbraw/zinc/39/26/21/816392621.db2.gz PPASEAAZWOMVKC-MRXNPFEDSA-N 1 0 294.826 3.011 20 10 CGCDRO Oc1cccc(Cl)c1CN1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222390388 816428257 /nfs/dbraw/zinc/42/82/57/816428257.db2.gz OPUKIAGUNSTINN-MRXNPFEDSA-N 1 0 294.826 3.154 20 10 CGCDRO CC(C)(C)c1ccc(CN2CC[C@]3(CCC[NH2+]3)C2)c(O)c1 ZINC001222478053 816454922 /nfs/dbraw/zinc/45/49/22/816454922.db2.gz ZMOOLZVXWYLCOU-GOSISDBHSA-N 1 0 288.435 3.018 20 10 CGCDRO O=C1CCCN(Cc2c(O)ccc3ccccc32)C[C@H]1F ZINC001231588850 818129299 /nfs/dbraw/zinc/12/92/99/818129299.db2.gz WGCJSRSPCQLTMW-OAHLLOKOSA-N 1 0 287.334 3.048 20 10 CGCDRO CCOc1ccc(C[N@H+](CC)Cc2ccccc2O)cn1 ZINC001231658397 818150678 /nfs/dbraw/zinc/15/06/78/818150678.db2.gz WEXBXKPBXFENAL-UHFFFAOYSA-N 1 0 286.375 3.208 20 10 CGCDRO Cc1cc(C)c(C[N@@H+]2CCC[C@](C)(F)C2)c(O)c1 ZINC001231841615 818186316 /nfs/dbraw/zinc/18/63/16/818186316.db2.gz CHCSRWNEYPYQJW-HNNXBMFYSA-N 1 0 251.345 3.333 20 10 CGCDRO Cc1cc(C)c(C[N@@H+]2CCc3cccc(O)c3C2)c(O)c1 ZINC001231847957 818187340 /nfs/dbraw/zinc/18/73/40/818187340.db2.gz GJPWCDJGRXHVIN-UHFFFAOYSA-N 1 0 283.371 3.273 20 10 CGCDRO CC[NH+](CC)C1CCN(Cc2c(C)cc(C)cc2O)CC1 ZINC001231845538 818187689 /nfs/dbraw/zinc/18/76/89/818187689.db2.gz OTFAXDQOGYVHAM-UHFFFAOYSA-N 1 0 290.451 3.315 20 10 CGCDRO Cc1cc(C)c(C[N@@H+]2CCC[C@@H]2c2ncccn2)c(O)c1 ZINC001231850174 818188705 /nfs/dbraw/zinc/18/87/05/818188705.db2.gz LFHHVWAJDDAROF-OAHLLOKOSA-N 1 0 283.375 3.136 20 10 CGCDRO COC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc2ccccc2c1O ZINC001231879543 818200068 /nfs/dbraw/zinc/20/00/68/818200068.db2.gz HTKFQKLQUMLMKI-INIZCTEOSA-N 1 0 299.370 3.073 20 10 CGCDRO CN(C1CC1)[C@H]1CC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC001231882214 818202249 /nfs/dbraw/zinc/20/22/49/818202249.db2.gz FWPFZYOMFYFAJF-KRWDZBQOSA-N 1 0 296.414 3.214 20 10 CGCDRO Oc1cc(O)c(C[NH+]2CCC3(CC(F)C3)CC2)cc1Cl ZINC001232258440 818295316 /nfs/dbraw/zinc/29/53/16/818295316.db2.gz YTTFHOCTQPGEJZ-UHFFFAOYSA-N 1 0 299.773 3.465 20 10 CGCDRO COc1cc(O)c(CN2CC[C@@H](C)[C@H](F)C2)cc1Cl ZINC001232266386 818297677 /nfs/dbraw/zinc/29/76/77/818297677.db2.gz NAUIKRSIFGKCSM-BXKDBHETSA-N 1 0 287.762 3.234 20 10 CGCDRO CC[N@H+](Cc1ccccc1O)Cc1cncc2cnccc21 ZINC001232653323 818411959 /nfs/dbraw/zinc/41/19/59/818411959.db2.gz WETRJNJBDKQPOH-UHFFFAOYSA-N 1 0 293.370 3.358 20 10 CGCDRO CCC1CC[NH+](Cc2ccc(N(C)C)cc2O)CC1 ZINC001232836315 818452284 /nfs/dbraw/zinc/45/22/84/818452284.db2.gz NDQYXLWGBAWSHM-UHFFFAOYSA-N 1 0 262.397 3.080 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)C2CCCCC2)c(O)c1 ZINC001232835228 818452455 /nfs/dbraw/zinc/45/24/55/818452455.db2.gz ZTOZMRSLNMTPEQ-UHFFFAOYSA-N 1 0 262.397 3.223 20 10 CGCDRO Oc1cc(CN2CC=C(c3ccccc3)CC2)cc(O)c1O ZINC001233016812 818503275 /nfs/dbraw/zinc/50/32/75/818503275.db2.gz PGLLGJAFEXKGBR-UHFFFAOYSA-N 1 0 297.354 3.093 20 10 CGCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CCC[C@H](CO)CC2)c1 ZINC001233284134 818566101 /nfs/dbraw/zinc/56/61/01/818566101.db2.gz JVWPYUZKFLVWAC-AWEZNQCLSA-N 1 0 291.435 3.284 20 10 CGCDRO CO[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233451402 818623569 /nfs/dbraw/zinc/62/35/69/818623569.db2.gz JFROAWAGMFTPOF-LBPRGKRZSA-N 1 0 289.297 3.022 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2O)[C@@H](C)CO1 ZINC001233455808 818624758 /nfs/dbraw/zinc/62/47/58/818624758.db2.gz ZOZPVBGUTPHAOK-VHSXEESVSA-N 1 0 289.297 3.020 20 10 CGCDRO COc1ccc2ccc(O)c(C[NH+]3CC(C)(C)C3)c2c1 ZINC001234518370 818871217 /nfs/dbraw/zinc/87/12/17/818871217.db2.gz IINIHOREXGFJGE-UHFFFAOYSA-N 1 0 271.360 3.396 20 10 CGCDRO OC[C@@H]1CCCC[N@@H+]1Cc1cccc(-c2ccccc2)c1O ZINC001234992256 818970075 /nfs/dbraw/zinc/97/00/75/818970075.db2.gz OEQMNOCJNDWYIU-KRWDZBQOSA-N 1 0 297.398 3.406 20 10 CGCDRO Oc1c(C[N@@H+]2C[C@H]3CC[C@@H]2CO3)cccc1-c1ccccc1 ZINC001235001198 818975205 /nfs/dbraw/zinc/97/52/05/818975205.db2.gz SURFDPBBLYOOFJ-IAGOWNOFSA-N 1 0 295.382 3.422 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(CN2CC[C@@H]3[NH2+]CC[C@@H]32)cc1 ZINC001235003256 818975607 /nfs/dbraw/zinc/97/56/07/818975607.db2.gz LKLGGTFKXMYTRT-OALUTQOASA-N 1 0 295.430 3.030 20 10 CGCDRO Nc1ccc(C[NH+]2CCC3(CNc4ccccc43)CC2)cc1 ZINC001235142196 819016087 /nfs/dbraw/zinc/01/60/87/819016087.db2.gz AFOUAJKFLGOSRG-UHFFFAOYSA-N 1 0 293.414 3.228 20 10 CGCDRO Cc1cc(CN2CCC[C@@H]3[NH2+]C[C@@H]32)c(C)n1-c1ccccc1 ZINC001235301147 819064085 /nfs/dbraw/zinc/06/40/85/819064085.db2.gz RIXJESRXPSLPBO-OALUTQOASA-N 1 0 295.430 3.030 20 10 CGCDRO CN(C)c1ccc(CN(C)[C@H]2CCC[NH2+]C2)c2ccccc21 ZINC001235342057 819071805 /nfs/dbraw/zinc/07/18/05/819071805.db2.gz HIOHHPIXQNLGRX-INIZCTEOSA-N 1 0 297.446 3.090 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(CN2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC001235387455 819082061 /nfs/dbraw/zinc/08/20/61/819082061.db2.gz WSRVFZOPOAEBIR-HDICACEKSA-N 1 0 295.430 3.030 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2ccc(C(C)(C)C)cc2O)C[C@@H]1F ZINC001235674342 819134995 /nfs/dbraw/zinc/13/49/95/819134995.db2.gz FIBYMKYQNHTXSE-RISCZKNCSA-N 1 0 265.372 3.480 20 10 CGCDRO C[C@H]1C[NH+](Cc2ccc(C(C)(C)C)cc2O)C[C@H](C)O1 ZINC001235674380 819135567 /nfs/dbraw/zinc/13/55/67/819135567.db2.gz FLDPQEPZCMADAI-STQMWFEESA-N 1 0 277.408 3.299 20 10 CGCDRO CC[N@H+](CCN(C)C)Cc1ccc(C(C)(C)C)cc1O ZINC001235676071 819137488 /nfs/dbraw/zinc/13/74/88/819137488.db2.gz PNJMHSDCAFJEJB-UHFFFAOYSA-N 1 0 278.440 3.073 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(CN2C[C@@H]([NH3+])CC[C@@H]2C)cc1 ZINC001235891365 819200601 /nfs/dbraw/zinc/20/06/01/819200601.db2.gz GADQHWNVGGSGAW-KSSFIOAISA-N 1 0 297.446 3.406 20 10 CGCDRO Cc1cc(CN(CC[NH3+])C(C)C)c(C)n1-c1ccccc1 ZINC001235947798 819237132 /nfs/dbraw/zinc/23/71/32/819237132.db2.gz GDQUHGYJHBRZPK-UHFFFAOYSA-N 1 0 285.435 3.263 20 10 CGCDRO Cc1cc(CN2C[C@@H]3CC[C@]3([NH3+])C2)c(C)n1-c1ccccc1 ZINC001235977494 819256121 /nfs/dbraw/zinc/25/61/21/819256121.db2.gz GURNGWFCTWPCQL-HKUYNNGSSA-N 1 0 295.430 3.017 20 10 CGCDRO CCN(Cc1ccc2ccccc2c1O)[C@H]1CCC[NH2+]C1 ZINC001236005284 819270866 /nfs/dbraw/zinc/27/08/66/819270866.db2.gz CCJQSHKODSGNKG-INIZCTEOSA-N 1 0 284.403 3.119 20 10 CGCDRO C[C@H]1CN(Cc2cccc(-c3ccccc3)c2O)[C@@H](C)C[NH2+]1 ZINC001236078375 819304162 /nfs/dbraw/zinc/30/41/62/819304162.db2.gz FWQHQLWOPPJQSK-GJZGRUSLSA-N 1 0 296.414 3.241 20 10 CGCDRO CCC[C@H]1CN(Cc2ccc3ccccc3c2O)CC[NH2+]1 ZINC001236179166 819357849 /nfs/dbraw/zinc/35/78/49/819357849.db2.gz SYUVYDXRNJWZOZ-INIZCTEOSA-N 1 0 284.403 3.119 20 10 CGCDRO CN(Cc1ccc(C(C)(C)C)cc1O)[C@@]1(C)CCC[NH2+]C1 ZINC001236207036 819368667 /nfs/dbraw/zinc/36/86/67/819368667.db2.gz NBRYNAYPGABNBZ-SFHVURJKSA-N 1 0 290.451 3.264 20 10 CGCDRO Nc1ccc(C[NH+]2CCC(c3ccc(N)cc3)CC2)cc1 ZINC001236336912 819427879 /nfs/dbraw/zinc/42/78/79/819427879.db2.gz OHPLUSKDCXPRMG-UHFFFAOYSA-N 1 0 281.403 3.231 20 10 CGCDRO CC(C)N(Cc1ccc(C(C)(C)C)cc1O)[C@@H]1CC[NH2+]C1 ZINC001236528032 819519087 /nfs/dbraw/zinc/51/90/87/819519087.db2.gz JHCAYSYXKYVVAS-MRXNPFEDSA-N 1 0 290.451 3.262 20 10 CGCDRO C[C@@H]1CN(Cc2cccc(-c3ccccc3)c2O)C[C@@H](C)[NH2+]1 ZINC001236577814 819541941 /nfs/dbraw/zinc/54/19/41/819541941.db2.gz ATSGFJXQGGBHJN-HUUCEWRRSA-N 1 0 296.414 3.241 20 10 CGCDRO CCc1ccc(C[N@@H+]2CCc3cc(O)ccc3C2)c(O)c1 ZINC001236784836 819594875 /nfs/dbraw/zinc/59/48/75/819594875.db2.gz BNGWKQMDLVIZCN-UHFFFAOYSA-N 1 0 283.371 3.219 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2C[C@@H](C)C[C@H]2CF)c(Cl)c1 ZINC001236798873 819599432 /nfs/dbraw/zinc/59/94/32/819599432.db2.gz PWBCABFTXCFWLX-UWVGGRQHSA-N 1 0 287.762 3.234 20 10 CGCDRO CC(C)N1CC[NH+](Cc2cc3ccccc3cc2O)CC1 ZINC001236835026 819615101 /nfs/dbraw/zinc/61/51/01/819615101.db2.gz DCDFTTRIPOQGMN-UHFFFAOYSA-N 1 0 284.403 3.071 20 10 CGCDRO COC(=O)CC[N@H+](Cc1cc2ccccc2cc1O)C1CC1 ZINC001236837693 819616785 /nfs/dbraw/zinc/61/67/85/819616785.db2.gz TVJZVYVLMOQRAQ-UHFFFAOYSA-N 1 0 299.370 3.073 20 10 CGCDRO Oc1cc2ccccc2cc1C[NH+]1CC2(CSC2)C1 ZINC001236837096 819617112 /nfs/dbraw/zinc/61/71/12/819617112.db2.gz NKOTZABWBBKWBY-UHFFFAOYSA-N 1 0 271.385 3.094 20 10 CGCDRO CC(C)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1Cl ZINC001236926275 819637789 /nfs/dbraw/zinc/63/77/89/819637789.db2.gz DUILHOGOJHGVOA-UHFFFAOYSA-N 1 0 296.842 3.264 20 10 CGCDRO CC(C)c1ccc(CN(C)Cc2ccon2)c(O)c1 ZINC001237049725 819652411 /nfs/dbraw/zinc/65/24/11/819652411.db2.gz SAMMUHFINBAPOB-UHFFFAOYSA-N 1 0 260.337 3.136 20 10 CGCDRO [O-]c1ccc(Cl)c(Cl)c1C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC001237078350 819662771 /nfs/dbraw/zinc/66/27/71/819662771.db2.gz PWLGWFWFZXMSHD-OCAPTIKFSA-N 1 0 258.148 3.151 20 10 CGCDRO C[C@H]1CC[N@H+](Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001237118506 819671933 /nfs/dbraw/zinc/67/19/33/819671933.db2.gz XVOXUKHAQQGPAF-VIFPVBQESA-N 1 0 275.270 3.133 20 10 CGCDRO Oc1ccc(F)c(Cl)c1C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC001237127562 819673149 /nfs/dbraw/zinc/67/31/49/819673149.db2.gz CTVPAGPNDQQSQX-HNNXBMFYSA-N 1 0 299.773 3.187 20 10 CGCDRO CC[N@H+](Cc1cc(C(F)(F)F)ccc1O)C1CC1 ZINC001237135644 819675427 /nfs/dbraw/zinc/67/54/27/819675427.db2.gz KELRAEYSFYCQJZ-UHFFFAOYSA-N 1 0 259.271 3.395 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2CCNC3=CCCC[C@@H]32)c(O)c1 ZINC001237229367 819706299 /nfs/dbraw/zinc/70/62/99/819706299.db2.gz OQHZSTWDZVHKKN-KRWDZBQOSA-N 1 0 286.419 3.357 20 10 CGCDRO CC[N@H+](Cc1ccc2c(c1)OCO2)Cc1c(C)cccc1O ZINC001237494633 819763788 /nfs/dbraw/zinc/76/37/88/819763788.db2.gz JZTUYKGRIUFGNX-UHFFFAOYSA-N 1 0 299.370 3.451 20 10 CGCDRO CC(=O)c1ccc2c(c1)C[N@@H+](Cc1c(C)cccc1O)CC2 ZINC001237491156 819764740 /nfs/dbraw/zinc/76/47/40/819764740.db2.gz HUGRNOAVHUKNER-UHFFFAOYSA-N 1 0 295.382 3.462 20 10 CGCDRO Cc1cccc(O)c1C[NH+]1CCC2(CCOC2(C)C)CC1 ZINC001237494423 819764832 /nfs/dbraw/zinc/76/48/32/819764832.db2.gz INYPJPLOBDOTGE-UHFFFAOYSA-N 1 0 289.419 3.482 20 10 CGCDRO Cc1cccc(O)c1C[N@H+](C)C[C@H]1Cc2ccccc2O1 ZINC001237490283 819764902 /nfs/dbraw/zinc/76/49/02/819764902.db2.gz CZRVXKISMXJHHA-OAHLLOKOSA-N 1 0 283.371 3.136 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)c1O ZINC001237686868 819805823 /nfs/dbraw/zinc/80/58/23/819805823.db2.gz QWQXQHJKHPVQRH-XYYAHUGASA-N 1 0 269.747 3.001 20 10 CGCDRO Cc1cc(F)cc(C[N@@H+]2CC[C@@](C)(CF)C2)c1O ZINC001238055704 819919054 /nfs/dbraw/zinc/91/90/54/819919054.db2.gz CCMFWOSCQSOIEU-AWEZNQCLSA-N 1 0 255.308 3.021 20 10 CGCDRO Cc1cc(F)cc(C[NH+]2C[C@H](C)C[C@@H](C)C2)c1O ZINC001238071455 819924899 /nfs/dbraw/zinc/92/48/99/819924899.db2.gz XRNQNLLAYLYEHN-GHMZBOCLSA-N 1 0 251.345 3.318 20 10 CGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]Cc1ccn(C)c1 ZINC001342407925 936466237 /nfs/dbraw/zinc/46/62/37/936466237.db2.gz UPGQAHSZAICDGC-JSGCOSHPSA-N 1 0 270.376 3.377 20 10 CGCDRO CCO[C@H]1C[C@H]([NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3C)C1 ZINC001350154563 936981280 /nfs/dbraw/zinc/98/12/80/936981280.db2.gz LNSQXXBTDINUBG-XUXIUFHCSA-N 1 0 275.392 3.406 20 10 CGCDRO CN(C)c1cc(F)c(C[NH2+][C@H]2CSC2(C)C)cc1F ZINC001351511666 937017916 /nfs/dbraw/zinc/01/79/16/937017916.db2.gz SBHOPBNPZBTHGT-ZDUSSCGKSA-N 1 0 286.391 3.014 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2C=CCCC2)cc1Cn1cccn1 ZINC001352836283 937051095 /nfs/dbraw/zinc/05/10/95/937051095.db2.gz HGFKRXFADJYVIE-QGZVFWFLSA-N 1 0 297.402 3.138 20 10 CGCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)c1O ZINC001140178221 926714824 /nfs/dbraw/zinc/71/48/24/926714824.db2.gz CZPFQPNUCHGXGX-GDBMZVCRSA-N 1 0 275.392 3.010 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(NCC[NH+](C)C)cc1 ZINC001161668794 927216651 /nfs/dbraw/zinc/21/66/51/927216651.db2.gz PIGRZCXVSLACQF-UHFFFAOYSA-N 1 0 257.381 3.068 20 10 CGCDRO Cc1cc(C[NH2+]Cc2cc(Cl)ccc2O)cnc1F ZINC001474609032 937207558 /nfs/dbraw/zinc/20/75/58/937207558.db2.gz NIBGDGXLUPUJBL-UHFFFAOYSA-N 1 0 280.730 3.178 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@H]3[C@@H](C2)C3(F)F)cc1 ZINC001459800514 937501052 /nfs/dbraw/zinc/50/10/52/937501052.db2.gz SIVDOOFYQWTSJI-LSDHHAIUSA-N 1 0 280.362 3.230 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCOC[C@@H]2C2CCC2)cc1 ZINC001460291685 937525266 /nfs/dbraw/zinc/52/52/66/937525266.db2.gz LEAKSGSVIAQNRI-GOSISDBHSA-N 1 0 288.435 3.144 20 10 CGCDRO Cc1ccc(C)c(C[N@@H+]2CCC(=O)[C@@H]3CCCC[C@@H]32)c1O ZINC001140178411 931956665 /nfs/dbraw/zinc/95/66/65/931956665.db2.gz KXTFECYRJBUELE-ZBFHGGJFSA-N 1 0 287.403 3.343 20 10 CGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@H]2CC2(C)C)cc1F ZINC001461185227 937568562 /nfs/dbraw/zinc/56/85/62/937568562.db2.gz IPGBLTGPMHWHAG-LLVKDONJSA-N 1 0 268.351 3.167 20 10 CGCDRO COc1ccc(C[NH2+]Cc2ccc3c(c2)COC3)cc1C ZINC001461296333 937575214 /nfs/dbraw/zinc/57/52/14/937575214.db2.gz ZIKGCXVGKRAKIX-UHFFFAOYSA-N 1 0 283.371 3.324 20 10 CGCDRO CCC[C@@H](C)[C@@H](CO)[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC001461614766 937588267 /nfs/dbraw/zinc/58/82/67/937588267.db2.gz AAHFQFSFYJTYCD-CRAIPNDOSA-N 1 0 292.467 3.420 20 10 CGCDRO CCc1cccc(C[N@H+](C)CCOc2ccccc2)c1O ZINC001461841631 937601260 /nfs/dbraw/zinc/60/12/60/937601260.db2.gz DMPQIHZPEYPPGC-UHFFFAOYSA-N 1 0 285.387 3.465 20 10 CGCDRO C[C@@H]1C[C@@H](C)[N@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC001461858493 937602058 /nfs/dbraw/zinc/60/20/58/937602058.db2.gz GXGWPPZKTHVHCR-GHMZBOCLSA-N 1 0 268.351 3.261 20 10 CGCDRO COc1cc(C)c(C[NH+]2C[C@@H](C)S[C@H](C)C2)c(O)c1 ZINC001461902436 937605326 /nfs/dbraw/zinc/60/53/26/937605326.db2.gz SLQOJPTXCOEODR-VXGBXAGGSA-N 1 0 281.421 3.035 20 10 CGCDRO CCC[N@H+](Cc1ccccc1O)Cc1ncccc1F ZINC001461957714 937608903 /nfs/dbraw/zinc/60/89/03/937608903.db2.gz HJAGXUZTUVNVRQ-UHFFFAOYSA-N 1 0 274.339 3.339 20 10 CGCDRO CCC[C@H]1CN(C/C=C\c2ccc(N(C)C)cc2)CCO1 ZINC001461963817 937609410 /nfs/dbraw/zinc/60/94/10/937609410.db2.gz WVAJAKNANPCBHH-YEODSOHDSA-N 1 0 288.435 3.267 20 10 CGCDRO Cc1ccc(C[N@@H+](C)C[C@@H](C)C(=O)OC(C)(C)C)c(O)c1 ZINC001462333143 937633010 /nfs/dbraw/zinc/63/30/10/937633010.db2.gz OCNPFJIUEZKYEG-CYBMUJFWSA-N 1 0 293.407 3.110 20 10 CGCDRO CO[C@H](C[NH2+][C@@H](C)Cc1ccc(N(C)C)cc1C)C1CC1 ZINC001462353069 937635010 /nfs/dbraw/zinc/63/50/10/937635010.db2.gz CYIQGNASZPTSFG-KBXCAEBGSA-N 1 0 290.451 3.007 20 10 CGCDRO Cc1ccc(C[NH2+][C@H](CC(=O)OC(C)C)C(C)C)c(O)c1 ZINC001462386091 937637153 /nfs/dbraw/zinc/63/71/53/937637153.db2.gz ZREIYAUDPDQSPC-OAHLLOKOSA-N 1 0 293.407 3.157 20 10 CGCDRO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@H](CF)C2)cc1F ZINC001462535090 937648846 /nfs/dbraw/zinc/64/88/46/937648846.db2.gz HOALKQICBKGMCX-LLVKDONJSA-N 1 0 286.341 3.212 20 10 CGCDRO COc1ccc(N(CCC2(O)CCC2)CC(C)C)cc1 ZINC001307849559 933008116 /nfs/dbraw/zinc/00/81/16/933008116.db2.gz JQALENMZXGWTQW-UHFFFAOYSA-N 1 0 277.408 3.463 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCOC[C@@]2(C)C2CC2)cc1 ZINC001308140284 933056680 /nfs/dbraw/zinc/05/66/80/933056680.db2.gz IVRFDSTUCXZWHN-SFHVURJKSA-N 1 0 288.435 3.144 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2CCO[C@@H](C(C)C)C2)cc1C ZINC001308350341 933099233 /nfs/dbraw/zinc/09/92/33/933099233.db2.gz SLDQUBQKPSNCQS-DOTOQJQBSA-N 1 0 277.408 3.297 20 10 CGCDRO CC(C)[C@@H]1C[C@H]1[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC001308557416 933131951 /nfs/dbraw/zinc/13/19/51/933131951.db2.gz KRUNEKSSKXGWTN-JOGGYFKDSA-N 1 0 258.409 3.400 20 10 CGCDRO CN(C)c1cc(F)c(C[N@@H+]2CC[C@@H](C3CC3)C2)cc1F ZINC001308598398 933140144 /nfs/dbraw/zinc/14/01/44/933140144.db2.gz LCEDOKFMRCBXAF-GFCCVEGCSA-N 1 0 280.362 3.263 20 10 CGCDRO CCC[C@@]1(CO)CCC[N@@H+]1Cc1ccc(N(C)C)cc1C ZINC001308729283 933166354 /nfs/dbraw/zinc/16/63/54/933166354.db2.gz SRNFICCVIABELG-SFHVURJKSA-N 1 0 290.451 3.188 20 10 CGCDRO CC[C@H](COCC1CC1)[NH2+]Cc1ccc(Cl)cc1O ZINC001308857800 933191691 /nfs/dbraw/zinc/19/16/91/933191691.db2.gz RBILUWZQNWMCGI-CQSZACIVSA-N 1 0 283.799 3.340 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCc3cc(O)ccc3C2)c1O ZINC001474758173 934186616 /nfs/dbraw/zinc/18/66/16/934186616.db2.gz YBICGYWRGCJDTJ-UHFFFAOYSA-N 1 0 283.371 3.219 20 10 CGCDRO CC[C@@H]1C[N@@H+](Cc2ccc(N(C)C)c(C)c2)C[C@H](CC)O1 ZINC001473565955 937811538 /nfs/dbraw/zinc/81/15/38/937811538.db2.gz VWKKRUUUGKQGPU-CALCHBBNSA-N 1 0 290.451 3.450 20 10 CGCDRO Cc1cc(O)c(CN2CCC[N@@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC001325582633 934919079 /nfs/dbraw/zinc/91/90/79/934919079.db2.gz RVAPWQQEQPPJGN-ZDUSSCGKSA-N 1 0 294.826 3.024 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@H](C)c1ccn(C)n1 ZINC001326047013 934947002 /nfs/dbraw/zinc/94/70/02/934947002.db2.gz SEKMKTVVWBOSAT-YRGRVCCFSA-N 1 0 285.391 3.333 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H]2CCC[C@H](F)C2)c1O ZINC001327196278 935043735 /nfs/dbraw/zinc/04/37/35/935043735.db2.gz ZKKWXCIEZJEGSV-UONOGXRCSA-N 1 0 251.345 3.325 20 10 CGCDRO CC[C@H]([NH2+]CCCC[NH3+])c1ccc(Cl)c(Cl)c1[O-] ZINC001327840086 935088996 /nfs/dbraw/zinc/08/89/96/935088996.db2.gz MGAAEAGXMARHPB-NSHDSACASA-N 1 0 291.222 3.479 20 10 CGCDRO CC[C@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)[C@@H]1CCCO1 ZINC001329721102 935241515 /nfs/dbraw/zinc/24/15/15/935241515.db2.gz AFTXMTIATJOJGI-HOCLYGCPSA-N 1 0 298.377 3.078 20 10 CGCDRO C[NH2+][C@@H](C)CC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC001331832566 935413512 /nfs/dbraw/zinc/41/35/12/935413512.db2.gz DLAXOUJLIHJURO-IUCAKERBSA-N 1 0 291.222 3.348 20 10 CGCDRO Cc1ccc(C[N@@H+](Cc2ccccc2)[C@H](C)CO)c(O)c1 ZINC001332976818 935501987 /nfs/dbraw/zinc/50/19/87/935501987.db2.gz RFIIVXXKRHXAQH-OAHLLOKOSA-N 1 0 285.387 3.084 20 10 CGCDRO CCS[C@H]1CC[C@@H]([N@H+](C)Cc2ccc(N)cc2)C1 ZINC001334774272 936112812 /nfs/dbraw/zinc/11/28/12/936112812.db2.gz HRGYGCVPBHSAMJ-CABCVRRESA-N 1 0 264.438 3.375 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(N)cc1)c1ccc2c(c1)CCO2 ZINC001334774748 936112997 /nfs/dbraw/zinc/11/29/97/936112997.db2.gz MQXRJLAYTLCFIJ-GFCCVEGCSA-N 1 0 268.360 3.055 20 10 CGCDRO CC[C@@](C)([NH2+]Cc1ccc(N)cc1)c1nccs1 ZINC001336286561 936185879 /nfs/dbraw/zinc/18/58/79/936185879.db2.gz SIZBLQUOKKLUMT-CQSZACIVSA-N 1 0 261.394 3.140 20 10 CGCDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(N)cc2)C12CCC2 ZINC001336286662 936186282 /nfs/dbraw/zinc/18/62/82/936186282.db2.gz UEXQUHHUPBRMGM-CVEARBPZSA-N 1 0 274.408 3.048 20 10 CGCDRO CS[C@H]1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2O)C1 ZINC001337395956 936256443 /nfs/dbraw/zinc/25/64/43/936256443.db2.gz MSKXRFHEGWUPIY-OLZOCXBDSA-N 1 0 269.385 3.247 20 10 CGCDRO CC1(C)CCC[C@@]1(O)C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001474159135 937842043 /nfs/dbraw/zinc/84/20/43/937842043.db2.gz GXJHBNZJNZOOLL-GOSISDBHSA-N 1 0 289.419 3.042 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CCC[C@H](C)C3)C2)cc1 ZINC001474206055 937843958 /nfs/dbraw/zinc/84/39/58/937843958.db2.gz SXZICYQEOGUYFS-XHSDSOJGSA-N 1 0 288.435 3.442 20 10 CGCDRO CC(C)c1ccc(O)c(C[N@H+](C)[C@@H]2CCN(C)C[C@@H]2C)c1 ZINC001474504283 937863569 /nfs/dbraw/zinc/86/35/69/937863569.db2.gz FCYYVOWNDQYWDV-WMLDXEAASA-N 1 0 290.451 3.288 20 10 CGCDRO Cc1cccc(NCC[NH2+]Cc2cc(C(C)C)ccc2O)n1 ZINC001474718738 937876870 /nfs/dbraw/zinc/87/68/70/937876870.db2.gz HRJHCVPTTUKXCC-UHFFFAOYSA-N 1 0 299.418 3.421 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C[C@H]2C[C@@H]2Cc2ccccc2)c1 ZINC001474752388 937879099 /nfs/dbraw/zinc/87/90/99/937879099.db2.gz WXFNMTFKDLXPAC-JKSUJKDBSA-N 1 0 297.398 3.369 20 10 CGCDRO C=C/C=C\CC[N@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC001559492453 938227504 /nfs/dbraw/zinc/22/75/04/938227504.db2.gz QDEHKPXMAPNBLA-PLNGDYQASA-N 1 0 286.419 3.340 20 10 CGCDRO CCCOc1ccc(C[NH2+]CCOC2CCC2)cc1C ZINC001560359134 938254995 /nfs/dbraw/zinc/25/49/95/938254995.db2.gz BUTUKXHHHDCBRT-UHFFFAOYSA-N 1 0 277.408 3.443 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@@H]2C[C@]2(C)OC)cc1C ZINC001560540163 938262296 /nfs/dbraw/zinc/26/22/96/938262296.db2.gz FLCWHHKNYORJJR-CVEARBPZSA-N 1 0 263.381 3.051 20 10 CGCDRO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]Cc1cc(C(C)C)ccc1O ZINC001560740998 938273327 /nfs/dbraw/zinc/27/33/27/938273327.db2.gz IUBQCNDZPMDTGK-STQMWFEESA-N 1 0 293.407 3.193 20 10 CGCDRO CCOC1CC([N@H+](C)Cc2ccc(Cl)cc2O)C1 ZINC001560861811 938280364 /nfs/dbraw/zinc/28/03/64/938280364.db2.gz YCZNDGOWJTWJDQ-UHFFFAOYSA-N 1 0 269.772 3.045 20 10 CGCDRO Oc1cc(Cl)ccc1C[NH2+]C[C@@H]1CCN1C1CCCC1 ZINC001560961231 938286315 /nfs/dbraw/zinc/28/63/15/938286315.db2.gz MUYCWPOWKZHGKD-HNNXBMFYSA-N 1 0 294.826 3.152 20 10 CGCDRO Cc1ccc(C[NH2+]C[C@@]2(C)OCCc3ccccc32)c(O)c1 ZINC001560984945 938288015 /nfs/dbraw/zinc/28/80/15/938288015.db2.gz MCSNPYDBPPNDMG-LJQANCHMSA-N 1 0 297.398 3.278 20 10 CGCDRO CC1(C)CC[C@H](CC[NH2+]Cc2cc(F)ccc2O)OC1 ZINC001561026817 938290172 /nfs/dbraw/zinc/29/01/72/938290172.db2.gz NLWZVKPIRZBUFA-CQSZACIVSA-N 1 0 281.371 3.216 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H]2c2ccc(C)nc2)c1 ZINC001203680106 957891231 /nfs/dbraw/zinc/89/12/31/957891231.db2.gz DWLZIRCSSCKHFN-KRWDZBQOSA-N 1 0 298.386 3.441 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CC(C)(C)C[C@H]2C)c(O)c1 ZINC001462352506 958816606 /nfs/dbraw/zinc/81/66/06/958816606.db2.gz YKAOPNYXIJZBCN-GFCCVEGCSA-N 1 0 263.381 3.330 20 10 CGCDRO C[C@@H](COc1ccc(F)cc1F)[NH2+]Cc1ccc(N)cc1 ZINC001576045199 962428889 /nfs/dbraw/zinc/42/88/89/962428889.db2.gz MDQVUXZANNOPNJ-NSHDSACASA-N 1 0 292.329 3.104 20 10 CGCDRO Cc1ccc(CNc2ccc([C@@H]3C[C@H]3[NH3+])cc2)c(O)c1 ZINC001579696935 962658337 /nfs/dbraw/zinc/65/83/37/962658337.db2.gz NUWZMGIYPUQGCP-JKSUJKDBSA-N 1 0 268.360 3.127 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000092072385 345830049 /nfs/dbraw/zinc/83/00/49/345830049.db2.gz BMKSKCIMTDKTEQ-LLVKDONJSA-N 1 0 291.782 3.148 20 10 CGCDRO C[C@@H]([NH2+]CCc1ccc(F)cc1)c1ccccc1O ZINC000019904065 368777062 /nfs/dbraw/zinc/77/70/62/368777062.db2.gz MRBCLBOGFGATAR-GFCCVEGCSA-N 1 0 259.324 3.425 20 10 CGCDRO Cc1ccc(O)c(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1 ZINC000093636907 370147896 /nfs/dbraw/zinc/14/78/96/370147896.db2.gz PYFXEVLEFWBYNG-SJORKVTESA-N 1 0 288.435 3.148 20 10 CGCDRO COc1cccc(C[NH2+]CCc2ccccc2C)c1O ZINC000112016824 370409108 /nfs/dbraw/zinc/40/91/08/370409108.db2.gz FUWPAVOEXBUKRZ-UHFFFAOYSA-N 1 0 271.360 3.042 20 10 CGCDRO C[C@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1cc(F)ccc1O ZINC000134797029 371365797 /nfs/dbraw/zinc/36/57/97/371365797.db2.gz BPRXTPIJUOGEQY-LVLWZLKYSA-N 1 0 291.366 3.140 20 10 CGCDRO CCSCC[C@H](C)[NH2+]Cc1cc(C)ccc1O ZINC000135293059 371410471 /nfs/dbraw/zinc/41/04/71/371410471.db2.gz HFVQFOLBCYRVOZ-LBPRGKRZSA-N 1 0 253.411 3.322 20 10 CGCDRO CN(Cc1csc(C2CC2)n1)Cc1ccccc1O ZINC000136360313 371474880 /nfs/dbraw/zinc/47/48/80/371474880.db2.gz KZGFHQWSVGCIIE-UHFFFAOYSA-N 1 0 274.389 3.358 20 10 CGCDRO CCC[N@H+](Cc1ccccc1O)Cc1cnccc1OC ZINC000287786686 371706158 /nfs/dbraw/zinc/70/61/58/371706158.db2.gz NTNSDCBASHIHGN-UHFFFAOYSA-N 1 0 286.375 3.208 20 10 CGCDRO Cc1ccncc1CCC[N@@H+](C)Cc1ccccc1O ZINC000289024102 371748949 /nfs/dbraw/zinc/74/89/49/371748949.db2.gz GKTQGUQSMJUXAD-UHFFFAOYSA-N 1 0 270.376 3.160 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2c2cc[nH]n2)c1 ZINC000289354088 371754050 /nfs/dbraw/zinc/75/40/50/371754050.db2.gz JMUWHHSSHNBNFU-OAHLLOKOSA-N 1 0 271.364 3.151 20 10 CGCDRO CC[C@@H]([NH2+]CCCn1nc(C)cc1C)c1ccccc1O ZINC000154896688 371888642 /nfs/dbraw/zinc/88/86/42/371888642.db2.gz ABPODOXLXZPGLL-MRXNPFEDSA-N 1 0 287.407 3.337 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)c1 ZINC000156038820 371958453 /nfs/dbraw/zinc/95/84/53/371958453.db2.gz FXFVEVNCMHOBHV-WFASDCNBSA-N 1 0 261.365 3.165 20 10 CGCDRO COC1(CC[NH2+][C@H](C)c2ccc(C)cc2O)CCC1 ZINC000293748772 372468698 /nfs/dbraw/zinc/46/86/98/372468698.db2.gz QBZGBXONIKWHBB-CYBMUJFWSA-N 1 0 263.381 3.310 20 10 CGCDRO C[C@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccc(F)cc1[O-] ZINC000293756499 372471651 /nfs/dbraw/zinc/47/16/51/372471651.db2.gz QVQOWAIIIVKTHY-AWEZNQCLSA-N 1 0 294.414 3.448 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)cc1C ZINC000294214140 372615689 /nfs/dbraw/zinc/61/56/89/372615689.db2.gz YKHPQESGYKTVMH-ZWKOTPCHSA-N 1 0 287.403 3.152 20 10 CGCDRO CC(C)[C@@H](O)C[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000168776896 372619024 /nfs/dbraw/zinc/61/90/24/372619024.db2.gz XOTFUBSYEUTPHB-LRDDRELGSA-N 1 0 273.376 3.213 20 10 CGCDRO CC[C@H](C)[C@@H](C[NH2+][C@H](C)c1cc(OC)ccc1O)OC ZINC000294227893 372619352 /nfs/dbraw/zinc/61/93/52/372619352.db2.gz NZUXHUZPFAIGEO-HWWQOWPSSA-N 1 0 281.396 3.113 20 10 CGCDRO CCn1cc([C@H](C)[NH2+][C@H](C)c2ccc(C)cc2O)cn1 ZINC000295876052 372944211 /nfs/dbraw/zinc/94/42/11/372944211.db2.gz GOBJKNSLTMWAFW-QWHCGFSZSA-N 1 0 273.380 3.329 20 10 CGCDRO CCCOc1ncccc1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296192829 373049213 /nfs/dbraw/zinc/04/92/13/373049213.db2.gz YPVWPJVEDDRDIF-HNNXBMFYSA-N 1 0 298.386 3.353 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]CCc1ccccc1)CC2 ZINC000296214485 373055808 /nfs/dbraw/zinc/05/58/08/373055808.db2.gz ZMFLNBUPIJLBFZ-OAHLLOKOSA-N 1 0 253.345 3.212 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)CCCCO)c1ccc(C)cc1O ZINC000296373703 373109709 /nfs/dbraw/zinc/10/97/09/373109709.db2.gz JIKNDNNFXNBAHR-HIFRSBDPSA-N 1 0 265.397 3.292 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)c1ccc(C)c(C)c1O)[C@@H](O)C(F)F ZINC000296493786 373152414 /nfs/dbraw/zinc/15/24/14/373152414.db2.gz OSTPPLCGUGGWNK-VHRBIJSZSA-N 1 0 287.350 3.064 20 10 CGCDRO CC[C@H]([NH2+]C[C@H](C)CCCO)c1ccc(N(C)C)cc1 ZINC000296526800 373165486 /nfs/dbraw/zinc/16/54/86/373165486.db2.gz QFUQCURDHCQWRZ-PBHICJAKSA-N 1 0 278.440 3.202 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]CCn1cnc3ccccc31)CC2 ZINC000297595193 373276238 /nfs/dbraw/zinc/27/62/38/373276238.db2.gz HUUKGTSMXDCINY-OAHLLOKOSA-N 1 0 293.370 3.019 20 10 CGCDRO Cc1cccc([C@@H](O)C[NH2+][C@@H]2CCc3cccc(O)c32)c1 ZINC000296883466 373250935 /nfs/dbraw/zinc/25/09/35/373250935.db2.gz OICWDLFBQYUVSX-WBVHZDCISA-N 1 0 283.371 3.011 20 10 CGCDRO OCC[C@@H]([NH2+][C@H]1CCc2cccc(O)c21)C1CCCCC1 ZINC000297131488 373256460 /nfs/dbraw/zinc/25/64/60/373256460.db2.gz YYTAYIFIQQBABC-CVEARBPZSA-N 1 0 289.419 3.300 20 10 CGCDRO COc1cc(O)c(C[NH+]2CC3(C2)CCCCC3)cc1OC ZINC000297410896 373268579 /nfs/dbraw/zinc/26/85/79/373268579.db2.gz LLANPOJJSOOMGX-UHFFFAOYSA-N 1 0 291.391 3.176 20 10 CGCDRO CCSCC[C@@H](C)[N@H+](C)Cc1ccccc1O ZINC000179584772 373890330 /nfs/dbraw/zinc/89/03/30/373890330.db2.gz GHPHOPCNBQEPMC-GFCCVEGCSA-N 1 0 253.411 3.356 20 10 CGCDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000179884419 373934192 /nfs/dbraw/zinc/93/41/92/373934192.db2.gz YIRUVXCKJGCEEG-JTQLQIEISA-N 1 0 277.261 3.306 20 10 CGCDRO C[C@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1)c1ccccc1O ZINC000179890562 373936974 /nfs/dbraw/zinc/93/69/74/373936974.db2.gz JDWILDAGIUMQSZ-ZBEGNZNMSA-N 1 0 291.778 3.430 20 10 CGCDRO CC[N@H+](C)C[C@H]1CCN(Cc2cc(Cl)cc(C)c2O)C1 ZINC000180550833 374023049 /nfs/dbraw/zinc/02/30/49/374023049.db2.gz CPUHVEYQZHFCIK-CYBMUJFWSA-N 1 0 296.842 3.128 20 10 CGCDRO CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc(Cl)c2[O-])C1 ZINC000180524331 374016260 /nfs/dbraw/zinc/01/62/60/374016260.db2.gz VZWWBXLFGBWCDV-ZDUSSCGKSA-N 1 0 296.842 3.209 20 10 CGCDRO C[C@H]([NH2+]CCCn1cccn1)c1ccc2ccccc2c1O ZINC000181974266 374199371 /nfs/dbraw/zinc/19/93/71/374199371.db2.gz UKYACXSGYJEJTQ-AWEZNQCLSA-N 1 0 295.386 3.483 20 10 CGCDRO CC[C@H]([NH2+]CCCCn1ccnc1C)c1ccccc1O ZINC000183315664 374402014 /nfs/dbraw/zinc/40/20/14/374402014.db2.gz WUGHAQMRAZATMD-INIZCTEOSA-N 1 0 287.407 3.418 20 10 CGCDRO C[C@@H]([NH2+]CCCc1ccccn1)c1ccccc1O ZINC000183622844 374434092 /nfs/dbraw/zinc/43/40/92/374434092.db2.gz QYCZOSTXOGWHNI-CYBMUJFWSA-N 1 0 256.349 3.071 20 10 CGCDRO Cc1noc(C)c1[C@H](C)C[NH2+][C@@H](C)c1ccccc1O ZINC000183626841 374436192 /nfs/dbraw/zinc/43/61/92/374436192.db2.gz DATWFFZLUUJYCF-MNOVXSKESA-N 1 0 274.364 3.451 20 10 CGCDRO C[C@@H]([NH2+]C[C@H](C)N1CCC(C)CC1)c1ccccc1O ZINC000183468262 374418873 /nfs/dbraw/zinc/41/88/73/374418873.db2.gz CHSCDZGUYMOUSS-LSDHHAIUSA-N 1 0 276.424 3.163 20 10 CGCDRO CCCC[C@@H](COC)[NH2+][C@@H](C)c1ccccc1O ZINC000183520864 374422454 /nfs/dbraw/zinc/42/24/54/374422454.db2.gz DRBVWIWGACHQMV-STQMWFEESA-N 1 0 251.370 3.248 20 10 CGCDRO C[C@H](c1ccccn1)[N@H+](C)Cc1cc(F)ccc1O ZINC000183676357 374440918 /nfs/dbraw/zinc/44/09/18/374440918.db2.gz WHWWZFJMDPYVIT-LLVKDONJSA-N 1 0 260.312 3.119 20 10 CGCDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1ccccc1O ZINC000183666969 374441242 /nfs/dbraw/zinc/44/12/42/374441242.db2.gz YTGWFQBUDPOWEP-SDNTUTLCSA-N 1 0 287.403 3.391 20 10 CGCDRO Cc1cccc(C[N@@H+](C)[C@@H](C)c2ccncc2)c1O ZINC000183712056 374444518 /nfs/dbraw/zinc/44/45/18/374444518.db2.gz MEWCGFZOLZEGOJ-ZDUSSCGKSA-N 1 0 256.349 3.289 20 10 CGCDRO CC[C@H]([NH2+]Cc1c(C)c2ccccc2n1C)[C@@H]1CCOC1 ZINC000479466346 375153452 /nfs/dbraw/zinc/15/34/52/375153452.db2.gz ZSEJAPFWMSGVTH-ZBFHGGJFSA-N 1 0 286.419 3.391 20 10 CGCDRO CO[C@H](C)[C@H](C)[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000191639654 375645868 /nfs/dbraw/zinc/64/58/68/375645868.db2.gz YKNQRFZRIZNLFQ-IVZWLZJFSA-N 1 0 257.761 3.120 20 10 CGCDRO C[C@@H](O)[C@@](C)(C[NH2+]Cc1ccccc1O)Cc1ccccc1 ZINC000191718322 375656589 /nfs/dbraw/zinc/65/65/89/375656589.db2.gz NWZXTLAGVWALDU-DNVCBOLYSA-N 1 0 299.414 3.112 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCOC[C@@H]2C)cc1F ZINC000191758030 375659288 /nfs/dbraw/zinc/65/92/88/375659288.db2.gz YAJUORRQQKNFRV-XJKSGUPXSA-N 1 0 294.414 3.187 20 10 CGCDRO Cc1cccc(C[C@H](CO)[NH2+][C@H](C)c2ccc(C)cc2O)c1 ZINC000191596254 375641973 /nfs/dbraw/zinc/64/19/73/375641973.db2.gz BAXWUCXAYLZAAV-NVXWUHKLSA-N 1 0 299.414 3.263 20 10 CGCDRO C[C@@H]([NH2+]CCCCCO)c1cc2c(cc1O)CCCC2 ZINC000192927581 375803550 /nfs/dbraw/zinc/80/35/50/375803550.db2.gz WQGLNKSSMZYLSD-CYBMUJFWSA-N 1 0 277.408 3.084 20 10 CGCDRO CC(C)C[C@@H](CCO)C[NH2+]Cc1c(O)cccc1Cl ZINC000266594832 378024321 /nfs/dbraw/zinc/02/43/21/378024321.db2.gz AQQRZYPDDPUEGK-GFCCVEGCSA-N 1 0 285.815 3.180 20 10 CGCDRO CCC1(C[NH2+]Cc2c(O)cccc2Cl)CCOCC1 ZINC000266615450 378024796 /nfs/dbraw/zinc/02/47/96/378024796.db2.gz JOXZSYNYNDHUSG-UHFFFAOYSA-N 1 0 283.799 3.342 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCCc3cn[nH]c32)cc1 ZINC000268832807 378126193 /nfs/dbraw/zinc/12/61/93/378126193.db2.gz KXKBWTKZXDBWAH-QGZVFWFLSA-N 1 0 298.434 3.423 20 10 CGCDRO C[C@@H](CCO)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000268913503 378151104 /nfs/dbraw/zinc/15/11/04/378151104.db2.gz GYKKTFQBHGYJMK-HOTGVXAUSA-N 1 0 290.451 3.346 20 10 CGCDRO C[C@H](CCO)C[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000268913507 378151898 /nfs/dbraw/zinc/15/18/98/378151898.db2.gz GYKKTFQBHGYJMK-HZPDHXFCSA-N 1 0 290.451 3.346 20 10 CGCDRO CC[C@@H]([NH2+][C@H](C)c1cn[nH]c1)c1ccc(N(C)C)cc1 ZINC000271429868 378491694 /nfs/dbraw/zinc/49/16/94/378491694.db2.gz CZECEKVHGGXHDJ-MLGOLLRUSA-N 1 0 272.396 3.278 20 10 CGCDRO C[C@@H]([NH2+]CCOc1ccccc1F)c1ccccc1O ZINC000271639943 378499039 /nfs/dbraw/zinc/49/90/39/378499039.db2.gz GTTBHZSQZFDIJY-GFCCVEGCSA-N 1 0 275.323 3.261 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCO[C@H](C)C2)c(O)c1C ZINC000273505276 378750141 /nfs/dbraw/zinc/75/01/41/378750141.db2.gz QYDHENJTLAJIFJ-VHDGCEQUSA-N 1 0 277.408 3.475 20 10 CGCDRO C[C@H]([NH2+][C@H](CO)c1ccc(F)cc1)c1cc(F)ccc1O ZINC000273494637 378750161 /nfs/dbraw/zinc/75/01/61/378750161.db2.gz OWBNMRINDLPSOI-ZUZCIYMTSA-N 1 0 293.313 3.055 20 10 CGCDRO C[C@@H](CO)CCC[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000273485470 378750645 /nfs/dbraw/zinc/75/06/45/378750645.db2.gz NCGHPINSOASKLD-GHMZBOCLSA-N 1 0 271.788 3.105 20 10 CGCDRO COCCCCC[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000273575648 378754888 /nfs/dbraw/zinc/75/48/88/378754888.db2.gz LQBMRTKVKLXAJU-CQSZACIVSA-N 1 0 265.397 3.476 20 10 CGCDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccccc1O ZINC000272928457 378723826 /nfs/dbraw/zinc/72/38/26/378723826.db2.gz ZARZZRYUKFMMSC-LBPRGKRZSA-N 1 0 286.331 3.194 20 10 CGCDRO C[C@@H]([NH2+]CCCc1nccs1)c1ccccc1O ZINC000272930337 378724833 /nfs/dbraw/zinc/72/48/33/378724833.db2.gz ZOYDJJGFMSQPPL-LLVKDONJSA-N 1 0 262.378 3.132 20 10 CGCDRO COc1ccc2c(c1)CC[N@@H+](Cc1ccccc1O)CC2 ZINC000370150238 378987461 /nfs/dbraw/zinc/98/74/61/378987461.db2.gz QVWJUVICHLLYNA-UHFFFAOYSA-N 1 0 283.371 3.002 20 10 CGCDRO Oc1ccc(Br)cc1C[NH2+]C1CC(F)(F)C1 ZINC000277401235 379150728 /nfs/dbraw/zinc/15/07/28/379150728.db2.gz DZBIFYZUVSQEPF-UHFFFAOYSA-N 1 0 292.123 3.042 20 10 CGCDRO C[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000277739123 379226874 /nfs/dbraw/zinc/22/68/74/379226874.db2.gz KAWLXFZIABQTPT-CRAIPNDOSA-N 1 0 288.435 3.192 20 10 CGCDRO COc1ccc(O)c(CN2CCC[C@H]2c2nccs2)c1 ZINC000375017389 379484881 /nfs/dbraw/zinc/48/48/81/379484881.db2.gz HGUDVVHULXXPHE-ZDUSSCGKSA-N 1 0 290.388 3.194 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)c1ccc(F)cc1[O-] ZINC000375896423 379517474 /nfs/dbraw/zinc/51/74/74/379517474.db2.gz WSUSRKKJSZVJFP-LZWOXQAQSA-N 1 0 279.355 3.140 20 10 CGCDRO CC[C@H]([NH2+]CCN1CC=CCC1)c1ccc(C)cc1O ZINC000281265301 379826530 /nfs/dbraw/zinc/82/65/30/379826530.db2.gz WSOQLUPNOXOCJZ-INIZCTEOSA-N 1 0 274.408 3.003 20 10 CGCDRO CCCC[N@H+](Cc1ccccc1O)[C@H](C)COC ZINC000282547801 379943872 /nfs/dbraw/zinc/94/38/72/379943872.db2.gz WVJBTANXXNQRHL-CYBMUJFWSA-N 1 0 251.370 3.029 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CC2([C@H](O)C(C)C)CC2)c(O)c1 ZINC000285123486 380145289 /nfs/dbraw/zinc/14/52/89/380145289.db2.gz LCWSIODXBHVOPD-RHSMWYFYSA-N 1 0 291.435 3.457 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CCO[C@@H](C)C2)c(O)c1 ZINC000285098778 380145646 /nfs/dbraw/zinc/14/56/46/380145646.db2.gz KEBXUFYBEOQNFB-SOUVJXGZSA-N 1 0 277.408 3.475 20 10 CGCDRO CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](CC)c2ccc(F)cc2[O-])C1 ZINC000286319105 380195721 /nfs/dbraw/zinc/19/57/21/380195721.db2.gz XNGVNUHWYSTCAO-CJNGLKHVSA-N 1 0 294.414 3.304 20 10 CGCDRO COCC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000282101586 285180165 /nfs/dbraw/zinc/18/01/65/285180165.db2.gz IQKHSAPFOXSRNU-GDBMZVCRSA-N 1 0 294.414 3.187 20 10 CGCDRO CC(C)(C)c1nc(C[NH2+]Cc2ccccc2O)cs1 ZINC000134232648 392466309 /nfs/dbraw/zinc/46/63/09/392466309.db2.gz KYWWMUUFBZMZMI-UHFFFAOYSA-N 1 0 276.405 3.436 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H]2CCCc3occc32)c1O ZINC000124701322 392435621 /nfs/dbraw/zinc/43/56/21/392435621.db2.gz XTGWRLYJERPMDD-CQSZACIVSA-N 1 0 257.333 3.461 20 10 CGCDRO C[N@@H+](Cc1ccccc1O)C[C@@H]1CCOc2ccccc21 ZINC000372433781 392611438 /nfs/dbraw/zinc/61/14/38/392611438.db2.gz PHYZOFHFSHJFSR-AWEZNQCLSA-N 1 0 283.371 3.390 20 10 CGCDRO CC[C@H]([NH2+]C[C@H]1CCCOC1)c1ccc(N(C)C)cc1 ZINC000178427463 392678587 /nfs/dbraw/zinc/67/85/87/392678587.db2.gz MAKHHEJGBLBUPY-PBHICJAKSA-N 1 0 276.424 3.220 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000179580959 392703635 /nfs/dbraw/zinc/70/36/35/392703635.db2.gz DYUYFRXXCOGIFI-KRWDZBQOSA-N 1 0 282.387 3.469 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]Cc2ccc(C)nc2)c1O ZINC000228671371 393020449 /nfs/dbraw/zinc/02/04/49/393020449.db2.gz RBGOTPUTGWVFSB-UHFFFAOYSA-N 1 0 292.766 3.047 20 10 CGCDRO COc1cccc(C[NH2+][C@H](C)CCC(C)C)c1O ZINC000020122911 171003745 /nfs/dbraw/zinc/00/37/45/171003745.db2.gz ZJAGVZRRMMJQDR-GFCCVEGCSA-N 1 0 251.370 3.315 20 10 CGCDRO COc1cccc(C[NH2+][C@@H](C)CCc2ccco2)c1O ZINC000020144776 171030326 /nfs/dbraw/zinc/03/03/26/171030326.db2.gz LGOYSJDCKZINRD-LBPRGKRZSA-N 1 0 275.348 3.105 20 10 CGCDRO Cc1ccccc1C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000020146003 171031617 /nfs/dbraw/zinc/03/16/17/171031617.db2.gz NWLZTJHDYPYIBF-UHFFFAOYSA-N 1 0 254.377 3.351 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCCOCC(C)C)c(O)c1 ZINC000020147374 171033965 /nfs/dbraw/zinc/03/39/65/171033965.db2.gz CPRCSZDQOHZIJQ-CQSZACIVSA-N 1 0 265.397 3.414 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](CC(C)C)N(C)C)c1 ZINC000020201543 171065289 /nfs/dbraw/zinc/06/52/89/171065289.db2.gz CJLFNOIDDIYNNF-ZIAGYGMSSA-N 1 0 294.439 3.028 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](CC(C)C)N(C)C)c(O)c1 ZINC000020201846 171066344 /nfs/dbraw/zinc/06/63/44/171066344.db2.gz KIERDKFTSAZEGA-CABCVRRESA-N 1 0 278.440 3.328 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]CCc2ccccc2F)c1 ZINC000071406008 176155966 /nfs/dbraw/zinc/15/59/66/176155966.db2.gz LBPZNOLEYOERNW-UHFFFAOYSA-N 1 0 259.324 3.172 20 10 CGCDRO CC[C@H](C[NH2+][C@@H](CC)c1ccccc1O)N1CCCC1 ZINC000155087584 261097584 /nfs/dbraw/zinc/09/75/84/261097584.db2.gz XCVHVPPIEVTMKU-ZBFHGGJFSA-N 1 0 276.424 3.307 20 10 CGCDRO CC[C@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1ccccc1O ZINC000155978066 261110323 /nfs/dbraw/zinc/11/03/23/261110323.db2.gz LCRXWORIPSLCSA-GOEBONIOSA-N 1 0 291.416 3.402 20 10 CGCDRO Cc1noc(C)c1CC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000155960238 261110672 /nfs/dbraw/zinc/11/06/72/261110672.db2.gz HBCGLAQOVLPSPB-LBPRGKRZSA-N 1 0 287.407 3.251 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccccc1O ZINC000157023104 261137830 /nfs/dbraw/zinc/13/78/30/261137830.db2.gz GPLNKSZDIANEAR-DIECFANBSA-N 1 0 287.403 3.391 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCO[C@H](C3CC3)C2)c1 ZINC000157650528 261149839 /nfs/dbraw/zinc/14/98/39/261149839.db2.gz FTMGZAVWFCJSOX-JDFRZJQESA-N 1 0 275.392 3.309 20 10 CGCDRO COc1cc(O)c(C[N@H+](C)[C@@H](C)C2(C)CC2)cc1OC ZINC000160383661 261212486 /nfs/dbraw/zinc/21/24/86/261212486.db2.gz IMPOATIUKUOEMV-NSHDSACASA-N 1 0 279.380 3.030 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)c2ccccc2F)c(O)c1 ZINC000185095943 262041100 /nfs/dbraw/zinc/04/11/00/262041100.db2.gz KIOGOPPMMAAJBO-SJCJKPOMSA-N 1 0 289.350 3.224 20 10 CGCDRO Cc1nn(C)cc1[C@H](C)[NH2+][C@H](C)c1ccc(C)cc1O ZINC000185349956 262051742 /nfs/dbraw/zinc/05/17/42/262051742.db2.gz PKQCMQRFTPMMJD-NEPJUHHUSA-N 1 0 273.380 3.154 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H](O)c1ccsc1)c1cc(Cl)ccc1O ZINC000185512791 262058123 /nfs/dbraw/zinc/05/81/23/262058123.db2.gz IDMIATRUMMIRGS-YMTOWFKASA-N 1 0 297.807 3.491 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c1 ZINC000185534337 262058999 /nfs/dbraw/zinc/05/89/99/262058999.db2.gz SMRXICIKOSKXSY-RKLWJJNISA-N 1 0 275.392 3.165 20 10 CGCDRO C[C@@H]([NH2+]CCCNc1ccccn1)c1cc(F)ccc1O ZINC000185660004 262065627 /nfs/dbraw/zinc/06/56/27/262065627.db2.gz SAFFAEYKWXWHKE-GFCCVEGCSA-N 1 0 289.354 3.079 20 10 CGCDRO Cc1cccc([C@@H](O)C[NH2+][C@H](C)c2cc(C)ccc2O)c1 ZINC000186124454 262080606 /nfs/dbraw/zinc/08/06/06/262080606.db2.gz JWXVHINQZXTNAY-KDOFPFPSSA-N 1 0 285.387 3.393 20 10 CGCDRO Cc1cc(C[C@H](C)[NH2+][C@H](C)c2cc(Cl)ccc2O)[nH]n1 ZINC000186130671 262080999 /nfs/dbraw/zinc/08/09/99/262080999.db2.gz GTNRFFPTHMLBRC-GXSJLCMTSA-N 1 0 293.798 3.359 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(OC)c(O)c1)c1ccccc1O ZINC000186161314 262082774 /nfs/dbraw/zinc/08/27/74/262082774.db2.gz UJDTYERWRAWMGR-AWEZNQCLSA-N 1 0 287.359 3.347 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C2CCOCC2)c(O)c1 ZINC000185783186 262308810 /nfs/dbraw/zinc/30/88/10/262308810.db2.gz BJHPBIXJGQCYFL-OLZOCXBDSA-N 1 0 263.381 3.166 20 10 CGCDRO CCOC[C@@H]([NH2+][C@H](C)c1cc(C)ccc1O)C(C)C ZINC000189357067 264293877 /nfs/dbraw/zinc/29/38/77/264293877.db2.gz HFZHYQDIZFHTDM-UKRRQHHQSA-N 1 0 265.397 3.412 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCSC2)cc1 ZINC000230704696 264536736 /nfs/dbraw/zinc/53/67/36/264536736.db2.gz UEIQYUAYSPDVRG-CQSZACIVSA-N 1 0 264.438 3.128 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](Oc3ccccc3)C2)c1 ZINC000367723829 267113240 /nfs/dbraw/zinc/11/32/40/267113240.db2.gz NEIOAIQMRSPGAR-KRWDZBQOSA-N 1 0 299.370 3.054 20 10 CGCDRO CO[C@]1(C)CCC[N@H+](Cc2cc(Cl)ccc2O)CC1 ZINC000369532984 267248870 /nfs/dbraw/zinc/24/88/70/267248870.db2.gz QVSCVPLNLTYFFM-OAHLLOKOSA-N 1 0 283.799 3.437 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H]2CN(C)Cc3ccccc32)cc1C ZINC000371317835 267388446 /nfs/dbraw/zinc/38/84/46/267388446.db2.gz FBFRIBXNUYFDNB-SFHVURJKSA-N 1 0 296.414 3.285 20 10 CGCDRO CCOc1cccc(C[NH+]2CC(Cc3ccco3)C2)c1O ZINC000529648913 270187091 /nfs/dbraw/zinc/18/70/91/270187091.db2.gz LFVQXLLHJKFLLN-UHFFFAOYSA-N 1 0 287.359 3.058 20 10 CGCDRO COc1ccc(OC)c(C[NH2+][C@@H]2CCc3cccc(O)c32)c1 ZINC000296078310 274115147 /nfs/dbraw/zinc/11/51/47/274115147.db2.gz SLRXBNFGGURVAJ-OAHLLOKOSA-N 1 0 299.370 3.187 20 10 CGCDRO C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC000269795161 274274204 /nfs/dbraw/zinc/27/42/04/274274204.db2.gz BFMBOQOFVDHSKY-UKRRQHHQSA-N 1 0 285.387 3.281 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)[C@@H](O)C(F)F ZINC000296386489 276587959 /nfs/dbraw/zinc/58/79/59/276587959.db2.gz JWSTYOKQIJHBNE-VIRWGQHYSA-N 1 0 293.741 3.101 20 10 CGCDRO COc1cccc(C[N@@H+]2CCOc3ccc(C)cc3C2)c1O ZINC000367716823 278010913 /nfs/dbraw/zinc/01/09/13/278010913.db2.gz CDDQPZUBWBJZBD-UHFFFAOYSA-N 1 0 299.370 3.104 20 10 CGCDRO CC[C@H]([NH2+]CCN(C)C1CCCC1)c1ccccc1O ZINC000071376648 288040866 /nfs/dbraw/zinc/04/08/66/288040866.db2.gz LCJMWPAZCKETQC-INIZCTEOSA-N 1 0 276.424 3.307 20 10 CGCDRO C[C@H]([NH2+]C[C@H](C)N(C)C1CC1)c1cc(Cl)ccc1O ZINC000185368484 327838870 /nfs/dbraw/zinc/83/88/70/327838870.db2.gz QMAFANGOOMMAKW-QWRGUYRKSA-N 1 0 282.815 3.179 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000271478510 327526605 /nfs/dbraw/zinc/52/66/05/327526605.db2.gz DCBMDCAZYGJCPV-RBSFLKMASA-N 1 0 276.424 3.218 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)CC(C)(C)O)cc1 ZINC000295124251 327608291 /nfs/dbraw/zinc/60/82/91/327608291.db2.gz XBALSUOZXVWEQD-AWEZNQCLSA-N 1 0 278.440 3.172 20 10 CGCDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cc1cc(Cl)ccc1O ZINC000377703266 329026059 /nfs/dbraw/zinc/02/60/59/329026059.db2.gz WJCUBNJBVBFIKP-WFASDCNBSA-N 1 0 294.826 3.104 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CN(C)Cc2ccccc21)c1ccccc1O ZINC000360000147 329069558 /nfs/dbraw/zinc/06/95/58/329069558.db2.gz QPOGQESGMWWKLL-DYVFJYSZSA-N 1 0 282.387 3.230 20 10 CGCDRO Cc1cccc(C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)c1O ZINC000186454335 329342640 /nfs/dbraw/zinc/34/26/40/329342640.db2.gz PWZRIDOEMUGFLE-IBGZPJMESA-N 1 0 295.382 3.332 20 10 CGCDRO CC(C)[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000126961330 329595506 /nfs/dbraw/zinc/59/55/06/329595506.db2.gz YLSPEEJBZWWSIJ-CQSZACIVSA-N 1 0 282.815 3.008 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2[C@@H](C)[C@H](C)O[C@H]2C)c(O)c1C ZINC000528008357 330303568 /nfs/dbraw/zinc/30/35/68/330303568.db2.gz SJEKSLWOZYQBAR-YGJAXBLXSA-N 1 0 277.408 3.472 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)c1cn[nH]c1 ZINC000229884140 333310780 /nfs/dbraw/zinc/31/07/80/333310780.db2.gz RZIJYNXTHFDICW-AWEZNQCLSA-N 1 0 284.407 3.251 20 10 CGCDRO CCC(C)(C)OC1C[NH+](Cc2cccc(C)c2O)C1 ZINC000529640101 333502848 /nfs/dbraw/zinc/50/28/48/333502848.db2.gz HEACQQMGWGKAFK-UHFFFAOYSA-N 1 0 263.381 3.090 20 10 CGCDRO Cc1cc(Br)cc(C[NH2+]C2CCC2)c1O ZINC000271897522 334747722 /nfs/dbraw/zinc/74/77/22/334747722.db2.gz URQSCDHORFDDPS-UHFFFAOYSA-N 1 0 270.170 3.105 20 10 CGCDRO CCCOc1ccc(C[N@H+](CC)C[C@H](C)OC)c(O)c1 ZINC000291103071 520344154 /nfs/dbraw/zinc/34/41/54/520344154.db2.gz RPOYAEAJRJCFKJ-ZDUSSCGKSA-N 1 0 281.396 3.038 20 10 CGCDRO CCOc1cccc(C[NH2+]Cc2cccc(OC)c2)c1O ZINC000037680145 521368338 /nfs/dbraw/zinc/36/83/38/521368338.db2.gz VLYBSMLDBAPDST-UHFFFAOYSA-N 1 0 287.359 3.089 20 10 CGCDRO CC[C@H](C)c1nnc([C@@H](C)[NH2+][C@H](C)c2ccccc2O)[nH]1 ZINC000277110050 522052320 /nfs/dbraw/zinc/05/23/20/522052320.db2.gz HVQIUUGSNREDMH-QJPTWQEYSA-N 1 0 288.395 3.436 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCOC[C@H]1C)c1ccc(N(C)C)cc1 ZINC000278483928 522720021 /nfs/dbraw/zinc/72/00/21/522720021.db2.gz KOZXKSQZSGLBMZ-XOKHGSTOSA-N 1 0 276.424 3.218 20 10 CGCDRO CC[C@@H]([NH2+]CC(C)(C)C[C@@H](C)O)c1ccccc1O ZINC000156658601 522818466 /nfs/dbraw/zinc/81/84/66/522818466.db2.gz IJRZVTCZDKASHF-TZMCWYRMSA-N 1 0 265.397 3.230 20 10 CGCDRO CC[C@@H]([NH2+]CC1(CCOC)CC1)c1ccccc1O ZINC000156776001 522821758 /nfs/dbraw/zinc/82/17/58/522821758.db2.gz ROJPNEDOJFCBDC-CQSZACIVSA-N 1 0 263.381 3.250 20 10 CGCDRO CC[C@@H]([NH2+]CC[C@@H](C)CCO)c1ccc(N(C)C)cc1 ZINC000297353792 522840054 /nfs/dbraw/zinc/84/00/54/522840054.db2.gz PGLSBSHTLIGJPT-RHSMWYFYSA-N 1 0 278.440 3.202 20 10 CGCDRO CC[C@@H]([NH2+]CCc1cccnc1)c1ccc(C)cc1O ZINC000280276111 522842173 /nfs/dbraw/zinc/84/21/73/522842173.db2.gz YDWJFRWATGNABC-MRXNPFEDSA-N 1 0 270.376 3.379 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H](C)COC)c1ccc(C)cc1O ZINC000280011213 522846628 /nfs/dbraw/zinc/84/66/28/522846628.db2.gz GSLQOXSMIQEPQE-TZMCWYRMSA-N 1 0 251.370 3.024 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H](O)Cc1ccccc1)c1ccc(C)cc1O ZINC000280079185 522860991 /nfs/dbraw/zinc/86/09/91/522860991.db2.gz LQKWIMSGZGRWJM-SJLPKXTDSA-N 1 0 299.414 3.345 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](C)CCOC)c1ccc(C)cc1O ZINC000279947458 522909032 /nfs/dbraw/zinc/90/90/32/522909032.db2.gz BMSGTVOMVXSKES-GXTWGEPZSA-N 1 0 251.370 3.166 20 10 CGCDRO CC[C@@H](c1ccncc1)[N@H+](C)Cc1cccc(OC)c1O ZINC000290400010 523119530 /nfs/dbraw/zinc/11/95/30/523119530.db2.gz JIBKUGABVVDFDU-HNNXBMFYSA-N 1 0 286.375 3.379 20 10 CGCDRO C[N@@H+](Cc1c(O)ccc2ccccc21)C[C@H]1CCCO1 ZINC000096810769 523158088 /nfs/dbraw/zinc/15/80/88/523158088.db2.gz POSZXQAJUOWQEP-CQSZACIVSA-N 1 0 271.360 3.156 20 10 CGCDRO C[N@@H+](Cc1ccccc1O)C[C@H]1OCCc2ccccc21 ZINC000265204954 523383999 /nfs/dbraw/zinc/38/39/99/523383999.db2.gz KHVXQRSCIGPDPL-GOSISDBHSA-N 1 0 283.371 3.138 20 10 CGCDRO CCc1ccc(C[NH2+]Cc2ccc(N(C)C)cc2)o1 ZINC000051721803 523942149 /nfs/dbraw/zinc/94/21/49/523942149.db2.gz ZIXJEPUSVUYSGX-UHFFFAOYSA-N 1 0 258.365 3.198 20 10 CGCDRO CCc1ccc([C@H](O)C[NH2+]Cc2cccc(C)c2O)cc1 ZINC000289641972 524052074 /nfs/dbraw/zinc/05/20/74/524052074.db2.gz XQDQHZWOFXSYAT-QGZVFWFLSA-N 1 0 285.387 3.086 20 10 CGCDRO COc1ccc(F)cc1[C@H](C)[NH2+]Cc1ccccc1O ZINC000037089797 524332662 /nfs/dbraw/zinc/33/26/62/524332662.db2.gz XWFZCJFYLYYISG-NSHDSACASA-N 1 0 275.323 3.391 20 10 CGCDRO C[C@H](CO)[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000129343843 524567119 /nfs/dbraw/zinc/56/71/19/524567119.db2.gz PQPTZJPMFAVENR-CABCVRRESA-N 1 0 276.424 3.098 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CC3(CCC3)[C@@H]2C2CC2)c1 ZINC000291654372 524736784 /nfs/dbraw/zinc/73/67/84/524736784.db2.gz UWKVEHDRHLSNBB-INIZCTEOSA-N 1 0 273.376 3.165 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)c1 ZINC000127406709 525341548 /nfs/dbraw/zinc/34/15/48/525341548.db2.gz WRLSGFNSQCEAKC-HNNXBMFYSA-N 1 0 256.349 3.366 20 10 CGCDRO CSCCC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000069433093 525481774 /nfs/dbraw/zinc/48/17/74/525481774.db2.gz DSBLVDGUZFWKHG-LBPRGKRZSA-N 1 0 252.427 3.156 20 10 CGCDRO C[C@H]([NH2+][C@@H](CO)C1CCCC1)c1cc(Cl)ccc1O ZINC000290078262 525540610 /nfs/dbraw/zinc/54/06/10/525540610.db2.gz GQTFLQOQTFUUDS-HZMBPMFUSA-N 1 0 283.799 3.247 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H](CO)C2CCCC2)c(O)c1C ZINC000290118923 525746362 /nfs/dbraw/zinc/74/63/62/525746362.db2.gz JDHNVHNBMNXENJ-CZUORRHYSA-N 1 0 277.408 3.211 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CC2(CO)CC3(CCC3)C2)c(O)c1 ZINC000278656728 525916655 /nfs/dbraw/zinc/91/66/55/525916655.db2.gz FCXOOTGIFSWKDF-AWEZNQCLSA-N 1 0 289.419 3.294 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCc3nccn3C2)c(O)c1C ZINC000278916587 525926270 /nfs/dbraw/zinc/92/62/70/525926270.db2.gz HJUAIIOBOJUHOS-LSDHHAIUSA-N 1 0 299.418 3.119 20 10 CGCDRO COc1cccc(C[NH2+][C@H](C)CSC(C)(C)C)c1O ZINC000289381337 526036625 /nfs/dbraw/zinc/03/66/25/526036625.db2.gz CMAIMULKGNYJHZ-LLVKDONJSA-N 1 0 283.437 3.411 20 10 CGCDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000278315704 526348612 /nfs/dbraw/zinc/34/86/12/526348612.db2.gz FNQIVBVFGLTPOG-SECBINFHSA-N 1 0 277.261 3.306 20 10 CGCDRO Oc1cccc(Cl)c1C[NH+]1CCC(CF)CC1 ZINC000294925352 526363934 /nfs/dbraw/zinc/36/39/34/526363934.db2.gz BGWDPXHKCMCNBS-UHFFFAOYSA-N 1 0 257.736 3.227 20 10 CGCDRO c1cc(C[NH2+]Cc2ccc3c(n2)CCCC3)cc2c1OCC2 ZINC000277799421 526428102 /nfs/dbraw/zinc/42/81/02/526428102.db2.gz XKNCVTUCBKJCJP-UHFFFAOYSA-N 1 0 294.398 3.185 20 10 CGCDRO COc1ccc(C[NH2+]Cc2nn(C)c3ccccc23)cc1C ZINC000727470508 571748547 /nfs/dbraw/zinc/74/85/47/571748547.db2.gz HLCULJAAVQTYQY-UHFFFAOYSA-N 1 0 295.386 3.180 20 10 CGCDRO CCOc1ccc(C[NH2+][C@@H](C)c2nc(C)cs2)c(O)c1 ZINC000727837166 571772122 /nfs/dbraw/zinc/77/21/22/571772122.db2.gz MGCSVCILDJRAIN-NSHDSACASA-N 1 0 292.404 3.407 20 10 CGCDRO Cc1cc(O)c(C[N@H+](C)[C@H]2CCOC2)cc1C(C)C ZINC000730260829 572334011 /nfs/dbraw/zinc/33/40/11/572334011.db2.gz VNPJTIVBXVGJQE-AWEZNQCLSA-N 1 0 263.381 3.045 20 10 CGCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H](c3ccco3)C1)CCC2 ZINC000732182630 572450475 /nfs/dbraw/zinc/45/04/75/572450475.db2.gz VILGQUGRXAPDRX-HNNXBMFYSA-N 1 0 283.371 3.463 20 10 CGCDRO CCOc1ccc(C[NH2+]C[C@](C)(O)CCC(C)C)c(O)c1 ZINC000740899893 572467377 /nfs/dbraw/zinc/46/73/77/572467377.db2.gz HIDXHDNBVULAPV-QGZVFWFLSA-N 1 0 295.423 3.068 20 10 CGCDRO OCC[C@@H]([NH2+]Cc1c(O)cccc1Cl)c1cccs1 ZINC000740900447 572467793 /nfs/dbraw/zinc/46/77/93/572467793.db2.gz PXJMMSOYGYKPHL-GFCCVEGCSA-N 1 0 297.807 3.320 20 10 CGCDRO COc1ccc(C[NH2+]C[C@](C)(O)c2ccccc2)cc1C ZINC000732919701 572491573 /nfs/dbraw/zinc/49/15/73/572491573.db2.gz REQJKQVCNSCGKF-SFHVURJKSA-N 1 0 285.387 3.001 20 10 CGCDRO C[C@H](Cc1cccc(O)c1)[NH2+]Cc1c(O)cccc1Cl ZINC000733326827 572556499 /nfs/dbraw/zinc/55/64/99/572556499.db2.gz DXBRMPXJCNQXDG-LLVKDONJSA-N 1 0 291.778 3.472 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]C2(c3ccccc3)CCOCC2)c1 ZINC000742372870 572569497 /nfs/dbraw/zinc/56/94/97/572569497.db2.gz JOUVSBRSGDUPAZ-UHFFFAOYSA-N 1 0 297.398 3.496 20 10 CGCDRO CCOCC[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000733613773 572591532 /nfs/dbraw/zinc/59/15/32/572591532.db2.gz KXYDANUOITVFJJ-UHFFFAOYSA-N 1 0 263.381 3.173 20 10 CGCDRO Cc1ccoc1C[NH2+]CCCSc1nccs1 ZINC000747811100 572949960 /nfs/dbraw/zinc/94/99/60/572949960.db2.gz MPAZIMCCDRZKKW-UHFFFAOYSA-N 1 0 268.407 3.317 20 10 CGCDRO COc1cc(C[N@@H+]2CCS[C@H](C)[C@@H]2C)c(O)cc1C ZINC000160218424 617620224 /nfs/dbraw/zinc/62/02/24/617620224.db2.gz PLFVIFAKGXEPJP-NWDGAFQWSA-N 1 0 281.421 3.035 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2C[C@H](C)C[C@@H](C)[C@H]2C)c1 ZINC000253105757 617676434 /nfs/dbraw/zinc/67/64/34/617676434.db2.gz TZLUVMYZLJLWSK-JHJVBQTASA-N 1 0 263.381 3.267 20 10 CGCDRO COc1cc(C[N@H+]2C[C@@H](C)S[C@@H](C)C2)c(O)cc1C ZINC000160301616 617930981 /nfs/dbraw/zinc/93/09/81/617930981.db2.gz KKQFRQYTNRESRB-TXEJJXNPSA-N 1 0 281.421 3.035 20 10 CGCDRO CC[C@@H](C)C[N@H+](CC)Cc1cc(OC)c(OC)cc1O ZINC000160352657 618019868 /nfs/dbraw/zinc/01/98/68/618019868.db2.gz WLEHKKVPQXGDLQ-GFCCVEGCSA-N 1 0 281.396 3.277 20 10 CGCDRO C[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000245617305 618166683 /nfs/dbraw/zinc/16/66/83/618166683.db2.gz VPPSTVIWRQJBCT-FQLMCAECSA-N 1 0 276.424 3.359 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CCCOc2ccccc2)cc1 ZINC000049825162 618643345 /nfs/dbraw/zinc/64/33/45/618643345.db2.gz KUQYCUATASSMQA-UHFFFAOYSA-N 1 0 284.403 3.311 20 10 CGCDRO COc1ccc(N2CCC([NH2+][C@H]3CC3(C)C)CC2)cc1 ZINC000840850580 618671257 /nfs/dbraw/zinc/67/12/57/618671257.db2.gz RXDMXZXIYZNQFR-INIZCTEOSA-N 1 0 274.408 3.052 20 10 CGCDRO Cc1ccc(CC[NH2+][C@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000161564835 618695593 /nfs/dbraw/zinc/69/55/93/618695593.db2.gz INVXAWUZQMOTGL-OAHLLOKOSA-N 1 0 283.419 3.349 20 10 CGCDRO CCOC1CC[NH+](Cc2cc(C)cc(C)c2O)CC1 ZINC000178864665 618707301 /nfs/dbraw/zinc/70/73/01/618707301.db2.gz UPKDEOUECLQFNQ-UHFFFAOYSA-N 1 0 263.381 3.010 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCCOCC(F)(F)F)c(O)c1 ZINC000184993006 625288133 /nfs/dbraw/zinc/28/81/33/625288133.db2.gz AWEXFVMREZJPFJ-NSHDSACASA-N 1 0 291.313 3.320 20 10 CGCDRO CCOC1CC[NH+](Cc2cc3c(cc2O)CCCC3)CC1 ZINC000179439971 618784600 /nfs/dbraw/zinc/78/46/00/618784600.db2.gz LTVMUEZZFMRQET-UHFFFAOYSA-N 1 0 289.419 3.272 20 10 CGCDRO C[C@H](Cc1ccc(O)cc1)[N@H+](C)Cc1ccccc1O ZINC000179573573 618796015 /nfs/dbraw/zinc/79/60/15/618796015.db2.gz NVLDVUJWWFBVEL-CYBMUJFWSA-N 1 0 271.360 3.161 20 10 CGCDRO CC(C)[C@@H](CO)[N@H+](Cc1ccccc1)Cc1ccccc1O ZINC000179577496 618796399 /nfs/dbraw/zinc/79/63/99/618796399.db2.gz OQMOUSAFACARSK-GOSISDBHSA-N 1 0 299.414 3.411 20 10 CGCDRO C[N@H+](CCC1CCOCC1)Cc1cc2c(cc1O)CCC2 ZINC000177165167 618805782 /nfs/dbraw/zinc/80/57/82/618805782.db2.gz QTGDPOFSXQSCNW-UHFFFAOYSA-N 1 0 289.419 3.129 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H](C)C2)c(O)c1OC ZINC000892510621 618825206 /nfs/dbraw/zinc/82/52/06/618825206.db2.gz PBPMUCZLVFJKIA-WCQYABFASA-N 1 0 279.380 3.078 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1cnn(C)c1 ZINC000177973466 618853026 /nfs/dbraw/zinc/85/30/26/618853026.db2.gz USDJXATUYULSJM-GOSISDBHSA-N 1 0 298.434 3.261 20 10 CGCDRO CCC(CC)(C[NH2+]Cc1c(O)cccc1Cl)OC ZINC000311176797 618895742 /nfs/dbraw/zinc/89/57/42/618895742.db2.gz WLKHOHXUKXJQNY-UHFFFAOYSA-N 1 0 271.788 3.340 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCOC2CCCC2)c(Cl)c1 ZINC000840888077 618899573 /nfs/dbraw/zinc/89/95/73/618899573.db2.gz XBXFWCJCVMHNKP-UHFFFAOYSA-N 1 0 283.799 3.403 20 10 CGCDRO COC[C@H]([NH2+][C@H](C)Cc1ccc(N(C)C)cc1C)C1CC1 ZINC000840892549 618925992 /nfs/dbraw/zinc/92/59/92/618925992.db2.gz ATDHRMNILGYCJI-KDOFPFPSSA-N 1 0 290.451 3.007 20 10 CGCDRO COc1ccc(C[NH2+]C2(c3ccccc3)CC2)c(O)c1OC ZINC000892883747 618949284 /nfs/dbraw/zinc/94/92/84/618949284.db2.gz FAHJSNOCOXNRQY-UHFFFAOYSA-N 1 0 299.370 3.188 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)CN2CCC[C@H](C)C2)c1 ZINC000185123317 625308045 /nfs/dbraw/zinc/30/80/45/625308045.db2.gz OUBDCJHFSBZIOB-JYJNAYRXSA-N 1 0 290.451 3.472 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)CN2CCC[C@H](C)C2)c1 ZINC000185123351 625308355 /nfs/dbraw/zinc/30/83/55/625308355.db2.gz OUBDCJHFSBZIOB-XHSDSOJGSA-N 1 0 290.451 3.472 20 10 CGCDRO CCOc1ccc(C[NH2+]CCCSc2nccs2)o1 ZINC000893045470 618984286 /nfs/dbraw/zinc/98/42/86/618984286.db2.gz QYCDTYUWVSZSGI-UHFFFAOYSA-N 1 0 298.433 3.407 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](C)N2CCC(C)CC2)c1 ZINC000185227287 619058841 /nfs/dbraw/zinc/05/88/41/619058841.db2.gz RXFNTVQOCGQUKL-JKSUJKDBSA-N 1 0 290.451 3.472 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCCOC(F)F)cc1 ZINC000194024930 619136198 /nfs/dbraw/zinc/13/61/98/619136198.db2.gz PGMFNHPIUBFTON-GFCCVEGCSA-N 1 0 286.366 3.423 20 10 CGCDRO CCC[C@]1(COC)CCC[N@@H+]1Cc1ccccc1O ZINC000195199198 619147549 /nfs/dbraw/zinc/14/75/49/619147549.db2.gz SGQYWTWVDFLNRC-MRXNPFEDSA-N 1 0 263.381 3.173 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@H]2C[C@H](OC(C)C)C2(C)C)c1 ZINC000185242031 625326906 /nfs/dbraw/zinc/32/69/06/625326906.db2.gz XBURQEXCICLEKZ-HOTGVXAUSA-N 1 0 293.407 3.083 20 10 CGCDRO CC[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2)CCS1 ZINC000093501889 619202157 /nfs/dbraw/zinc/20/21/57/619202157.db2.gz WHCIZQYSESBQDO-HNNXBMFYSA-N 1 0 264.438 3.080 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CC1CCSCC1 ZINC000840933101 619225703 /nfs/dbraw/zinc/22/57/03/619225703.db2.gz AIRJEMCSVHUOPN-UHFFFAOYSA-N 1 0 278.465 3.294 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H](CCO)CC(C)C ZINC000840935381 619227030 /nfs/dbraw/zinc/22/70/30/619227030.db2.gz NTZRWHOFXNLSGE-INIZCTEOSA-N 1 0 292.467 3.195 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@]1(C)CCO[C@@H]1C1CC1 ZINC000840939844 619231352 /nfs/dbraw/zinc/23/13/52/619231352.db2.gz RPZKGSGBZBQXJJ-QZTJIDSGSA-N 1 0 288.435 3.108 20 10 CGCDRO Cc1cccc(N2CC[NH+](Cc3cccc(C)c3O)CC2)c1 ZINC000317301656 619247753 /nfs/dbraw/zinc/24/77/53/619247753.db2.gz MMLMNNDUNRJMQV-UHFFFAOYSA-N 1 0 296.414 3.331 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cc(F)ccc1O)c1nccs1 ZINC000226610961 619276913 /nfs/dbraw/zinc/27/69/13/619276913.db2.gz KKTRSDUSZFCFQF-LLVKDONJSA-N 1 0 266.341 3.229 20 10 CGCDRO CC[C@@H](C[NH2+]Cc1c(O)cccc1OC)CC(F)(F)F ZINC000840960774 619279396 /nfs/dbraw/zinc/27/93/96/619279396.db2.gz UQHFXVRRKYIQOM-SNVBAGLBSA-N 1 0 291.313 3.469 20 10 CGCDRO C[C@@H]1C[C@H](C[NH2+]Cc2ccc3ccccc3c2O)[C@@H](C)O1 ZINC000840962750 619282318 /nfs/dbraw/zinc/28/23/18/619282318.db2.gz FABRLUXTQBMDIA-XJKCOSOUSA-N 1 0 285.387 3.449 20 10 CGCDRO C[C@H](C[NH2+][C@H](C)c1ccc(F)cc1[O-])C[NH+]1CCCCC1 ZINC000062747871 619282809 /nfs/dbraw/zinc/28/28/09/619282809.db2.gz GHLAQHLYTBCBHJ-ZIAGYGMSSA-N 1 0 294.414 3.304 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1cccn1C ZINC000840976257 619308089 /nfs/dbraw/zinc/30/80/89/619308089.db2.gz NTWWHRUFWQHYBX-OAHLLOKOSA-N 1 0 285.435 3.120 20 10 CGCDRO Cc1ncoc1C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000893946533 619338771 /nfs/dbraw/zinc/33/87/71/619338771.db2.gz CCFSKVDUZIKDDN-UHFFFAOYSA-N 1 0 287.407 3.460 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](CC)c1ccccc1O)[C@H]1CCCO1 ZINC000248549175 619381535 /nfs/dbraw/zinc/38/15/35/619381535.db2.gz HDVZOQJQPBZBLU-SQWLQELKSA-N 1 0 263.381 3.391 20 10 CGCDRO CCCCOCCC[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894148804 619394000 /nfs/dbraw/zinc/39/40/00/619394000.db2.gz FRGQVPXDONDSLD-UHFFFAOYSA-N 1 0 281.396 3.006 20 10 CGCDRO CC[C@@H](C)C[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000093062875 619404545 /nfs/dbraw/zinc/40/45/45/619404545.db2.gz JUVNPDFANNKBMV-CQSZACIVSA-N 1 0 278.465 3.376 20 10 CGCDRO COc1cc(C)cc(C[NH2+]C[C@@H]2CC=CCC2)c1O ZINC000894210625 619425048 /nfs/dbraw/zinc/42/50/48/619425048.db2.gz HMUJNZADEXUTLJ-CYBMUJFWSA-N 1 0 261.365 3.155 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@H]2CCc3c2cccc3O)c1O ZINC000894246142 619440168 /nfs/dbraw/zinc/44/01/68/619440168.db2.gz IBSAMHJMKWDWMT-HNNXBMFYSA-N 1 0 299.370 3.192 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@H]2CCC[C@H](SC)C2)c1O ZINC000894261076 619450745 /nfs/dbraw/zinc/45/07/45/619450745.db2.gz SQZTXXBDUAAWHU-KBPBESRZSA-N 1 0 295.448 3.473 20 10 CGCDRO COc1ccc(C[NH2+][C@H](C2CC2)C2CCC2)c(O)c1OC ZINC000894811576 619641390 /nfs/dbraw/zinc/64/13/90/619641390.db2.gz OKEVUBYDGHWLLF-HNNXBMFYSA-N 1 0 291.391 3.078 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCOC[C@H]1C(C)C ZINC000925081527 619643805 /nfs/dbraw/zinc/64/38/05/619643805.db2.gz RCAQNIUXWINBSN-ZWKOTPCHSA-N 1 0 290.451 3.212 20 10 CGCDRO COc1cc(C)cc(C[NH2+]C[C@@H]2CCCC2(F)F)c1O ZINC000894897896 619674712 /nfs/dbraw/zinc/67/47/12/619674712.db2.gz CDLKGNADGOPDET-LBPRGKRZSA-N 1 0 285.334 3.234 20 10 CGCDRO COc1cc(C)cc(C[NH2+]C[C@H](C)CC(F)(F)F)c1O ZINC000894994535 619692467 /nfs/dbraw/zinc/69/24/67/619692467.db2.gz RMTVSSQOWVWFTM-SNVBAGLBSA-N 1 0 291.313 3.387 20 10 CGCDRO [O-]c1c(F)cc(F)cc1C[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000895073437 619712948 /nfs/dbraw/zinc/71/29/48/619712948.db2.gz HMMZKKYRAKHYPK-ABAIWWIYSA-N 1 0 297.345 3.061 20 10 CGCDRO COc1ccc(C[NH2+]CC2CCC(F)CC2)c(O)c1OC ZINC000895120249 619740171 /nfs/dbraw/zinc/74/01/71/619740171.db2.gz CPMHKVZPJMEEDY-UHFFFAOYSA-N 1 0 297.370 3.027 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@](C)(O)c2ccsc2)c(O)c1 ZINC000185529446 625368242 /nfs/dbraw/zinc/36/82/42/625368242.db2.gz KGAMUYXZTGUOOT-MLGOLLRUSA-N 1 0 291.416 3.320 20 10 CGCDRO CC(C)CC[C@@](C)(O)C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000185528319 625370618 /nfs/dbraw/zinc/37/06/18/625370618.db2.gz XEHQIUMNDNMPAV-BLLLJJGKSA-N 1 0 283.387 3.369 20 10 CGCDRO CCc1cccc(C[N@@H+]2CC[C@@H](c3nccs3)C2)c1O ZINC000895585572 619854955 /nfs/dbraw/zinc/85/49/55/619854955.db2.gz ZAWTWQYPAIZOSC-CQSZACIVSA-N 1 0 288.416 3.401 20 10 CGCDRO [O-]c1c(Cl)cccc1C[NH2+]C[C@H]1CC2(CCC2)CO1 ZINC000895792338 619886550 /nfs/dbraw/zinc/88/65/50/619886550.db2.gz YDAFLIPHORWJAK-GFCCVEGCSA-N 1 0 281.783 3.094 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@H]2CCc3c2cccc3F)c1 ZINC000895856344 619897873 /nfs/dbraw/zinc/89/78/73/619897873.db2.gz XMJRWWGSPLEMCX-INIZCTEOSA-N 1 0 287.334 3.317 20 10 CGCDRO COc1ccc(C[NH2+]CCC[C@H]2C=CCC2)c(O)c1OC ZINC000895930986 619909902 /nfs/dbraw/zinc/90/99/02/619909902.db2.gz TYDHEVLMURYOEX-ZDUSSCGKSA-N 1 0 291.391 3.245 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCS[C@H](C(F)(F)F)C2)c(O)c1 ZINC000896454200 620009543 /nfs/dbraw/zinc/00/95/43/620009543.db2.gz VASBNKAPXZSRMN-LBPRGKRZSA-N 1 0 291.338 3.180 20 10 CGCDRO Cc1ccc(C[NH2+][C@H](c2ccccn2)C2CC2)c(O)c1 ZINC000896607828 620036946 /nfs/dbraw/zinc/03/69/46/620036946.db2.gz ABLPIWHFHYBLMQ-KRWDZBQOSA-N 1 0 268.360 3.337 20 10 CGCDRO C[C@H]1Cc2cc(C[NH2+]Cc3cc(F)ccc3O)ccc2O1 ZINC000896829001 620072638 /nfs/dbraw/zinc/07/26/38/620072638.db2.gz LTKGJVJNSWPXBG-NSHDSACASA-N 1 0 287.334 3.145 20 10 CGCDRO Cc1ccc(C[NH2+][C@H]2CCCc3cccnc32)c(O)c1 ZINC000897071799 620135149 /nfs/dbraw/zinc/13/51/49/620135149.db2.gz MQWUGYFVUGBQGP-HNNXBMFYSA-N 1 0 268.360 3.263 20 10 CGCDRO CCc1cccc(C[NH2+][C@H](C2CC2)[C@@H]2CCCOC2)c1O ZINC000897081350 620135213 /nfs/dbraw/zinc/13/52/13/620135213.db2.gz NSQKFMQTGKCTNC-IAGOWNOFSA-N 1 0 289.419 3.249 20 10 CGCDRO CCCN(CC)CC[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000185631513 625399264 /nfs/dbraw/zinc/39/92/64/625399264.db2.gz CPNTYHQCHDYZGX-AWEZNQCLSA-N 1 0 264.413 3.083 20 10 CGCDRO Cc1ccc(C[NH2+][C@@]2(C)CCOc3ccccc32)c(O)c1 ZINC000897386398 620279164 /nfs/dbraw/zinc/27/91/64/620279164.db2.gz WBUHLFKEQBVPHU-SFHVURJKSA-N 1 0 283.371 3.488 20 10 CGCDRO C[C@@H]([NH2+]Cc1cnc(Cl)cn1)c1ccc(N(C)C)cc1 ZINC000799167057 620292739 /nfs/dbraw/zinc/29/27/39/620292739.db2.gz RLNATOOFIZUSJL-LLVKDONJSA-N 1 0 290.798 3.047 20 10 CGCDRO c1cc2c(cc1C[NH2+]C[C@@H]1CC[C@@H](C3CC3)O1)CCCO2 ZINC000897501285 620355684 /nfs/dbraw/zinc/35/56/84/620355684.db2.gz QVMMIQMCRUWUAX-WMZOPIPTSA-N 1 0 287.403 3.059 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]CC[C@H]1CCCC[C@H]1O ZINC000897539123 620382430 /nfs/dbraw/zinc/38/24/30/620382430.db2.gz OPVGTATUOXOGGU-BXUZGUMPSA-N 1 0 283.799 3.076 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H](CC(C)C)OC)c1ccccc1O ZINC000841755895 620399934 /nfs/dbraw/zinc/39/99/34/620399934.db2.gz NFPMUSCUZPRPNA-UKRRQHHQSA-N 1 0 265.397 3.494 20 10 CGCDRO Cc1cccc(O)c1C[NH2+][C@H]1CCSC(C)(C)C1 ZINC000897792377 620432404 /nfs/dbraw/zinc/43/24/04/620432404.db2.gz BDYOSNWLJPIJSL-LBPRGKRZSA-N 1 0 265.422 3.464 20 10 CGCDRO CC1(C)C[C@@H]([NH2+]Cc2cc(F)ccc2O)CCS1 ZINC000897796978 620433340 /nfs/dbraw/zinc/43/33/40/620433340.db2.gz BIQYMUBNEHGRST-LBPRGKRZSA-N 1 0 269.385 3.295 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H]2CCSC(C)(C)C2)c1 ZINC000897797742 620433347 /nfs/dbraw/zinc/43/33/47/620433347.db2.gz LAHNGUZMJHFDOA-ZDUSSCGKSA-N 1 0 265.422 3.464 20 10 CGCDRO C[C@@H](Cc1cccnc1)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000897965920 620458313 /nfs/dbraw/zinc/45/83/13/620458313.db2.gz YQAYNGZFRNUVMR-AWEZNQCLSA-N 1 0 282.387 3.127 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCS[C@H](C)C2)c1 ZINC000927028480 620564010 /nfs/dbraw/zinc/56/40/10/620564010.db2.gz AIBHCJPGPVULLC-GRYCIOLGSA-N 1 0 281.421 3.336 20 10 CGCDRO CNc1ccc(C)cc1C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000902040760 621112066 /nfs/dbraw/zinc/11/20/66/621112066.db2.gz BQQFBCGCNISWTD-UHFFFAOYSA-N 1 0 283.419 3.393 20 10 CGCDRO CC[C@H]([NH2+]Cc1csc(N)n1)c1ccc(N(C)C)cc1 ZINC000902488583 621356168 /nfs/dbraw/zinc/35/61/68/621356168.db2.gz HOMWAKMACOXQTQ-AWEZNQCLSA-N 1 0 290.436 3.032 20 10 CGCDRO Oc1ccc2ccncc2c1C[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000902650316 621392564 /nfs/dbraw/zinc/39/25/64/621392564.db2.gz NAGKTYJZTCJHND-BBRMVZONSA-N 1 0 268.360 3.315 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc3c(c2)ncn3C)c(O)c1 ZINC000903204487 621626424 /nfs/dbraw/zinc/62/64/24/621626424.db2.gz QEVBRBOAYNADOO-ZDUSSCGKSA-N 1 0 295.386 3.438 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C2CC3(C2)CO[C@@H](C)C3)c1O ZINC000903280558 621660562 /nfs/dbraw/zinc/66/05/62/621660562.db2.gz VFBDNIHZTXIWTH-LZSIIWAZSA-N 1 0 291.391 3.009 20 10 CGCDRO C[C@@H]([NH2+][C@H](CO)CCc1ccccc1)c1ccccc1O ZINC000903290161 621673673 /nfs/dbraw/zinc/67/36/73/621673673.db2.gz RVEOKTUGWWJHTB-ZBFHGGJFSA-N 1 0 285.387 3.037 20 10 CGCDRO CO[C@]1(C[NH2+][C@H](C)c2ccc(C)c(C)c2O)CCSC1 ZINC000903314097 621685188 /nfs/dbraw/zinc/68/51/88/621685188.db2.gz GXFXIBIAWSONAE-CJNGLKHVSA-N 1 0 295.448 3.182 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CC[C@@H](O)C2CC2)c1O ZINC000903407651 621732062 /nfs/dbraw/zinc/73/20/62/621732062.db2.gz PJLQIXNGSXPWDW-IINYFYTJSA-N 1 0 283.799 3.166 20 10 CGCDRO C[C@H]([NH2+][C@H]1COC[C@H]1C1CC1)c1cc(Cl)ccc1O ZINC000903435282 621745087 /nfs/dbraw/zinc/74/50/87/621745087.db2.gz CCUFLIDGWQLLIR-HERUPUMHSA-N 1 0 281.783 3.121 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2COC[C@@H]2C2CC2)c1O ZINC000903440930 621750123 /nfs/dbraw/zinc/75/01/23/621750123.db2.gz VTOGLNUJBNVQMS-VQISRLSMSA-N 1 0 295.810 3.430 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2Cc3ccccc3[C@H]2O)c(O)c1C ZINC000903440913 621750243 /nfs/dbraw/zinc/75/02/43/621750243.db2.gz VJBCNCUFTSEQBZ-OMWUSAIZSA-N 1 0 297.398 3.318 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@H]2c3ccccc3NC2(C)C)c1 ZINC000903948934 621840161 /nfs/dbraw/zinc/84/01/61/621840161.db2.gz WBOKLMHGUDKTMU-KRWDZBQOSA-N 1 0 298.386 3.436 20 10 CGCDRO CCO[C@H]1C[C@@H]([NH2+][C@@H](CC)c2ccc(C)cc2O)C1 ZINC000840763426 625551527 /nfs/dbraw/zinc/55/15/27/625551527.db2.gz HFNJEKWVBPUMRP-GUTXKFCHSA-N 1 0 263.381 3.309 20 10 CGCDRO CC1(C)CCC[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000149405054 622301804 /nfs/dbraw/zinc/30/18/04/622301804.db2.gz NKUBZXGDKLDHQE-GFCCVEGCSA-N 1 0 277.364 3.179 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](C(C)(C)C)C2)c1 ZINC000163861599 622806142 /nfs/dbraw/zinc/80/61/42/622806142.db2.gz OOHNXUGNXVOGTF-CYBMUJFWSA-N 1 0 263.381 3.269 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]CCCOC1CCCCC1 ZINC000226583333 622984014 /nfs/dbraw/zinc/98/40/14/622984014.db2.gz PVSFUDSPGMZIPE-UHFFFAOYSA-N 1 0 281.371 3.360 20 10 CGCDRO C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000158079444 623004144 /nfs/dbraw/zinc/00/41/44/623004144.db2.gz ZYIMRBRFFCSDCR-ZDUSSCGKSA-N 1 0 296.842 3.400 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)CCSC)c1 ZINC000168788461 623013808 /nfs/dbraw/zinc/01/38/08/623013808.db2.gz QKVQMKRBZBUNQI-QWRGUYRKSA-N 1 0 269.410 3.193 20 10 CGCDRO Oc1ccc(Br)cc1C[NH2+]C(C1CC1)C1CC1 ZINC000227440862 623019379 /nfs/dbraw/zinc/01/93/79/623019379.db2.gz ZWUWOFPIYJSLHI-UHFFFAOYSA-N 1 0 296.208 3.433 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H](C)C(C)C)c1O ZINC000228674813 623069935 /nfs/dbraw/zinc/06/99/35/623069935.db2.gz IQLQDJBIMHRTOX-SNVBAGLBSA-N 1 0 271.788 3.436 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]Cc2scnc2C)c1O ZINC000228673229 623070560 /nfs/dbraw/zinc/07/05/60/623070560.db2.gz ITCAHQQJWRWUNS-UHFFFAOYSA-N 1 0 298.795 3.109 20 10 CGCDRO CC[C@H]([NH2+][C@H]1C[C@@H](OC)C1(C)C)c1ccccc1O ZINC000229558887 623143605 /nfs/dbraw/zinc/14/36/05/623143605.db2.gz JQJKJSIADQYNST-AEGPPILISA-N 1 0 263.381 3.246 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(CO)cc1)c1ccc(N(C)C)cc1 ZINC000229596007 623146388 /nfs/dbraw/zinc/14/63/88/623146388.db2.gz LHOKISNTSWQKPS-AWEZNQCLSA-N 1 0 284.403 3.096 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H](C)[NH3+])c1cc(Cl)cc(Cl)c1[O-] ZINC000817971983 625629816 /nfs/dbraw/zinc/62/98/16/625629816.db2.gz IORKTPNSVUEKCU-WRWORJQWSA-N 1 0 277.195 3.087 20 10 CGCDRO c1cc(N2CCCCC2)ccc1C[NH2+]CC[C@@H]1CCOC1 ZINC000230162448 623215797 /nfs/dbraw/zinc/21/57/97/623215797.db2.gz IWOICBQUPPLHGM-QGZVFWFLSA-N 1 0 288.435 3.193 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]C1Cc2ccccc2C1 ZINC000231032358 623292579 /nfs/dbraw/zinc/29/25/79/623292579.db2.gz HCSWELGTEWTXEQ-UHFFFAOYSA-N 1 0 273.763 3.303 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+][C@@H](C)CC(F)(F)F)c1O ZINC000231901434 623348839 /nfs/dbraw/zinc/34/88/39/623348839.db2.gz NQHOSKJEXGJTMW-ZETCQYMHSA-N 1 0 297.704 3.485 20 10 CGCDRO COC(C)(C)C[C@@H](C)[NH2+]Cc1cc(Cl)ccc1O ZINC000174555882 623405434 /nfs/dbraw/zinc/40/54/34/623405434.db2.gz HKCVRVYYHAGHQZ-SNVBAGLBSA-N 1 0 271.788 3.339 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]Cc1ccc(F)c(F)c1 ZINC000083494234 623423685 /nfs/dbraw/zinc/42/36/85/623423685.db2.gz CDKTXCACLYZBDB-UHFFFAOYSA-N 1 0 267.250 3.099 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CC(C2CC2)C2CC2)cc1 ZINC000088455592 623454076 /nfs/dbraw/zinc/45/40/76/623454076.db2.gz PYDSOQNULSUZDI-UHFFFAOYSA-N 1 0 258.409 3.278 20 10 CGCDRO CC[N@H+](Cc1c(O)ccc2ccccc21)[C@H]1CCOC1 ZINC000312560906 623538935 /nfs/dbraw/zinc/53/89/35/623538935.db2.gz NCUGMPLUSGHITE-AWEZNQCLSA-N 1 0 271.360 3.156 20 10 CGCDRO CC[C@@H]1COCC[N@@H+]1Cc1cc(C(C)C)c(C)cc1O ZINC000151900787 623581694 /nfs/dbraw/zinc/58/16/94/623581694.db2.gz NTXOPRVEDZZLIA-OAHLLOKOSA-N 1 0 277.408 3.435 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@](C)(CO)C2CCCCC2)c1 ZINC000152767808 623710867 /nfs/dbraw/zinc/71/08/67/623710867.db2.gz IFMBVNOAYNTFJQ-QGZVFWFLSA-N 1 0 277.408 3.122 20 10 CGCDRO CC(C)(C)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000915226143 623920902 /nfs/dbraw/zinc/92/09/02/623920902.db2.gz FMXYTIMPIZCTLN-UHFFFAOYSA-N 1 0 291.395 3.473 20 10 CGCDRO CCC[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)C1CCC1 ZINC000324722342 624314414 /nfs/dbraw/zinc/31/44/14/624314414.db2.gz YOOYTSCWMJVZDD-ZDUSSCGKSA-N 1 0 277.364 3.179 20 10 CGCDRO CN(Cc1ccccc1O)Cc1ccncc1Cl ZINC000174854054 624328986 /nfs/dbraw/zinc/32/89/86/624328986.db2.gz MEXMKLAJPLESQO-UHFFFAOYSA-N 1 0 262.740 3.073 20 10 CGCDRO COc1cccc(C[NH2+][C@H](C)c2nc(C)cs2)c1O ZINC000069168207 624801864 /nfs/dbraw/zinc/80/18/64/624801864.db2.gz UZFKXYGTRBMJBI-SNVBAGLBSA-N 1 0 278.377 3.017 20 10 CGCDRO Cc1ncsc1C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000071212840 625065165 /nfs/dbraw/zinc/06/51/65/625065165.db2.gz KSWWUOFJOPEQTL-LLVKDONJSA-N 1 0 275.421 3.368 20 10 CGCDRO Cc1cccc([C@@H](O)C[NH2+][C@H](C)c2ccccc2O)c1 ZINC000183620292 625098768 /nfs/dbraw/zinc/09/87/68/625098768.db2.gz PQLFLTAZEXCZET-DYVFJYSZSA-N 1 0 271.360 3.085 20 10 CGCDRO C[C@@H](C[NH2+]Cc1ccc2c(c1)CCCO2)c1ccncc1 ZINC000921817159 625886571 /nfs/dbraw/zinc/88/65/71/625886571.db2.gz IYHVOGHUJXNFTH-AWEZNQCLSA-N 1 0 282.387 3.300 20 10 CGCDRO c1cc2c(cc1C[NH2+]CC[C@H]1CCSC1)CCCO2 ZINC000922299558 625994432 /nfs/dbraw/zinc/99/44/32/625994432.db2.gz DLTGPCRYNXRIQX-ZDUSSCGKSA-N 1 0 277.433 3.244 20 10 CGCDRO c1cc2c(cc1C[NH2+]C[C@@H]1C[C@@H]3CCC[C@H]3O1)CCCO2 ZINC000922325135 625998326 /nfs/dbraw/zinc/99/83/26/625998326.db2.gz XZHNESCSNXLTDJ-XYJFISCASA-N 1 0 287.403 3.059 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2CCS[C@H](C)C2)cc1C ZINC000922844776 626058117 /nfs/dbraw/zinc/05/81/17/626058117.db2.gz ZGRSWHVQHHFYMF-OCCSQVGLSA-N 1 0 265.422 3.377 20 10 CGCDRO CCOc1ccc(C[NH2+][C@@H]2CCCc3cccnc32)c(O)c1 ZINC000922882309 626062056 /nfs/dbraw/zinc/06/20/56/626062056.db2.gz MYTSZYCGVNTNKY-MRXNPFEDSA-N 1 0 298.386 3.353 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCCc3cccnc32)c1 ZINC000922882538 626062556 /nfs/dbraw/zinc/06/25/56/626062556.db2.gz XAYKPXVCFPHUMQ-INIZCTEOSA-N 1 0 298.386 3.353 20 10 CGCDRO CC(C)OCC[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000186639931 626065590 /nfs/dbraw/zinc/06/55/90/626065590.db2.gz ACRZEXZCMWESNA-CYBMUJFWSA-N 1 0 277.408 3.347 20 10 CGCDRO COc1ccccc1CC[NH2+]Cc1c(O)cccc1Cl ZINC000113313274 626089614 /nfs/dbraw/zinc/08/96/14/626089614.db2.gz UUGFTAYFFVKBPF-UHFFFAOYSA-N 1 0 291.778 3.387 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@]23C[C@H]2CCC3)cc1 ZINC000923021907 626118914 /nfs/dbraw/zinc/11/89/14/626118914.db2.gz ZTWHWPCOIRQTCS-XQJUWPJRSA-N 1 0 256.393 3.298 20 10 CGCDRO COc1ccc(C[NH2+]C2([C@@H]3CCCCO3)CC2)cc1C ZINC000923027257 626122424 /nfs/dbraw/zinc/12/24/24/626122424.db2.gz JDZWMTFSPYHLNQ-INIZCTEOSA-N 1 0 275.392 3.195 20 10 CGCDRO C[C@H]([NH2+]CC1(O)CCC(C)(C)CC1)c1ccccc1O ZINC000087045912 626165115 /nfs/dbraw/zinc/16/51/15/626165115.db2.gz QGPOODRZDNGSAK-ZDUSSCGKSA-N 1 0 277.408 3.374 20 10 CGCDRO CC1CCN(c2ccc(C[NH2+]Cc3cnccn3)cc2)CC1 ZINC000838940038 626286217 /nfs/dbraw/zinc/28/62/17/626286217.db2.gz GYZBCCPPGPLJRW-UHFFFAOYSA-N 1 0 296.418 3.003 20 10 CGCDRO COC1(c2ccccc2)C[NH+](Cc2cccc(C)c2O)C1 ZINC000839100572 626314030 /nfs/dbraw/zinc/31/40/30/626314030.db2.gz XXZVWDWISONIBU-UHFFFAOYSA-N 1 0 283.371 3.058 20 10 CGCDRO CCOc1ccc(C[NH+]2CC(Cc3ccccc3)C2)c(O)c1 ZINC000839127326 626320582 /nfs/dbraw/zinc/32/05/82/626320582.db2.gz CLCZPADGLPXEQE-UHFFFAOYSA-N 1 0 297.398 3.465 20 10 CGCDRO COc1cc(O)c(C[NH+]2CC(C3CCCC3)C2)cc1OC ZINC000839143255 626323181 /nfs/dbraw/zinc/32/31/81/626323181.db2.gz OIIMLINVJANMJO-UHFFFAOYSA-N 1 0 291.391 3.031 20 10 CGCDRO CO[C@H]1C[C@H]([NH2+]Cc2cc(C)c(C)cc2O)C12CCC2 ZINC000839180507 626326421 /nfs/dbraw/zinc/32/64/21/626326421.db2.gz DOZJHOFEBWHOTK-HOTGVXAUSA-N 1 0 275.392 3.056 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2C[C@H](OC)C23CCC3)c1 ZINC000839179540 626326562 /nfs/dbraw/zinc/32/65/62/626326562.db2.gz KUAAHCAFCYPGCR-XZJROXQQSA-N 1 0 291.391 3.009 20 10 CGCDRO CCC[C@@H]([NH2+]Cc1cc(OC)c(OC)cc1O)C1CCC1 ZINC000839192649 626329315 /nfs/dbraw/zinc/32/93/15/626329315.db2.gz SMGRMPXMEXJHGW-CQSZACIVSA-N 1 0 293.407 3.468 20 10 CGCDRO CO[C@H]1CC[N@H+](Cc2cc(C(C)C)c(C)cc2O)C1 ZINC000751945615 626412584 /nfs/dbraw/zinc/41/25/84/626412584.db2.gz OEJLATPTLYQJQT-AWEZNQCLSA-N 1 0 263.381 3.045 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2C[C@H](C)CC(C)(C)C2)c1 ZINC000753576283 626456163 /nfs/dbraw/zinc/45/61/63/626456163.db2.gz QOZQHLNQOBARRW-GFCCVEGCSA-N 1 0 263.381 3.269 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+][C@@]2(C)CCO[C@H]2C2CC2)c1O ZINC000753596041 626457690 /nfs/dbraw/zinc/45/76/90/626457690.db2.gz SMLHAORGTOBFCR-HOTGVXAUSA-N 1 0 295.810 3.401 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)cc1C ZINC000754083808 626474771 /nfs/dbraw/zinc/47/47/71/626474771.db2.gz VHQHMALCKAWFNE-DJIMGWMZSA-N 1 0 287.403 3.051 20 10 CGCDRO CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)CS1 ZINC000754124817 626559256 /nfs/dbraw/zinc/55/92/56/626559256.db2.gz CNLRFLRQAHFDKI-ZBFHGGJFSA-N 1 0 278.465 3.372 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@H](N3CCCCC3)C2)c1 ZINC000754726954 626585203 /nfs/dbraw/zinc/58/52/03/626585203.db2.gz YHSRKCFBIRNMKG-KRWDZBQOSA-N 1 0 288.435 3.069 20 10 CGCDRO Oc1ccccc1C[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000754823297 626588792 /nfs/dbraw/zinc/58/87/92/626588792.db2.gz JMUXAOCOUKFNHS-UHFFFAOYSA-N 1 0 297.276 3.423 20 10 CGCDRO CC(C)[C@H]1CC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000755920464 626660612 /nfs/dbraw/zinc/66/06/12/626660612.db2.gz APBOQALTAUXBOR-HNNXBMFYSA-N 1 0 259.393 3.359 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(C)c1)[C@@H]1CCCO1 ZINC000756044806 626672041 /nfs/dbraw/zinc/67/20/41/626672041.db2.gz IOTMAWDPLBRJAR-ZBFHGGJFSA-N 1 0 263.381 3.051 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCCN(C)C1)c1cc2c(cc1O)CCCC2 ZINC000756445130 626706255 /nfs/dbraw/zinc/70/62/55/626706255.db2.gz KJLDZNCWVDENNF-XJKSGUPXSA-N 1 0 288.435 3.016 20 10 CGCDRO C[C@H]1C[C@H]([NH2+]CCOCC2CC2)c2c1c(F)ccc2O ZINC000756556936 626714434 /nfs/dbraw/zinc/71/44/34/626714434.db2.gz YHVCSDGWMCLSQK-GWCFXTLKSA-N 1 0 279.355 3.096 20 10 CGCDRO CCCCN(C)CC[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000756574878 626716966 /nfs/dbraw/zinc/71/69/66/626716966.db2.gz HAUHZBIYBZYRFI-GFCCVEGCSA-N 1 0 284.831 3.428 20 10 CGCDRO Cc1cc(C[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)[nH]n1 ZINC000756583827 626718249 /nfs/dbraw/zinc/71/82/49/626718249.db2.gz CFNYWMFUPXZDPC-LBPRGKRZSA-N 1 0 285.391 3.153 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccn(C(C)C)n2)c(O)c1 ZINC000756596342 626719225 /nfs/dbraw/zinc/71/92/25/626719225.db2.gz ZIDJOJPZMUBHFW-ZDUSSCGKSA-N 1 0 273.380 3.329 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)Cc2ccncc2)c(O)c1 ZINC000756636953 626722807 /nfs/dbraw/zinc/72/28/07/626722807.db2.gz YCVPVIGXZVQHTB-KBPBESRZSA-N 1 0 270.376 3.377 20 10 CGCDRO CO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)C1(C)C ZINC000756646732 626724099 /nfs/dbraw/zinc/72/40/99/626724099.db2.gz DAKPQZUNDMTNEP-QIRAZROLSA-N 1 0 293.382 3.483 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc3c2OCCO3)c(O)c1 ZINC000756706307 626727251 /nfs/dbraw/zinc/72/72/51/626727251.db2.gz ZSPCOOPXAQNORU-CYBMUJFWSA-N 1 0 299.370 3.323 20 10 CGCDRO Cc1cc(C[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)ncn1 ZINC000756776428 626731370 /nfs/dbraw/zinc/73/13/70/626731370.db2.gz PGGVCPRUENNVFB-ZDUSSCGKSA-N 1 0 297.402 3.220 20 10 CGCDRO C[C@H]1C[C@@H]([NH2+]CCCCCCO)c2c1c(F)ccc2O ZINC000756790871 626732602 /nfs/dbraw/zinc/73/26/02/626732602.db2.gz PMVVSIRSEHXLNW-WCQYABFASA-N 1 0 281.371 3.222 20 10 CGCDRO Cc1ccc([C@@H](C)Nc2cnn(-c3cc[nH+]cc3)c2)c(O)c1 ZINC000756867470 626738516 /nfs/dbraw/zinc/73/85/16/626738516.db2.gz KRROWMIVTFXMDV-CYBMUJFWSA-N 1 0 294.358 3.454 20 10 CGCDRO Cc1cccc(C[NH2+]C[C@H]2Cc3ccccc32)c1O ZINC000124802181 634514137 /nfs/dbraw/zinc/51/41/37/634514137.db2.gz MMNPLGBMABVSJA-OAHLLOKOSA-N 1 0 253.345 3.130 20 10 CGCDRO C[C@H]([NH2+]CCc1cncs1)c1ccc(N(C)C)cc1 ZINC000839562705 626763108 /nfs/dbraw/zinc/76/31/08/626763108.db2.gz BBUOTMYSDGCUAW-LBPRGKRZSA-N 1 0 275.421 3.102 20 10 CGCDRO CO[C@@](C)([C@H](C)[NH2+]Cc1ccc(N(C)C)c(C)c1)C1CC1 ZINC000839643747 626774237 /nfs/dbraw/zinc/77/42/37/626774237.db2.gz SIFYYNWYOVPJTP-KSSFIOAISA-N 1 0 290.451 3.354 20 10 CGCDRO CO[C@@](C)([C@@H](C)[NH2+]Cc1ccc(N(C)C)c(C)c1)C1CC1 ZINC000839643746 626774401 /nfs/dbraw/zinc/77/44/01/626774401.db2.gz SIFYYNWYOVPJTP-KDOFPFPSSA-N 1 0 290.451 3.354 20 10 CGCDRO CO[C@](C)([C@H](C)[NH2+]Cc1ccc(N(C)C)cc1)C1CC1 ZINC000839640646 626774477 /nfs/dbraw/zinc/77/44/77/626774477.db2.gz RJZXBWBNBKVBOQ-SUMWQHHRSA-N 1 0 276.424 3.046 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]CC(C)(C)[C@H]2CCCCO2)c1 ZINC000758498245 626846442 /nfs/dbraw/zinc/84/64/42/626846442.db2.gz JCDVTNZWIVVDCC-MRXNPFEDSA-N 1 0 277.408 3.386 20 10 CGCDRO COc1ccc(C[NH2+][C@H](CCO)C2CCCCC2)cc1C ZINC000763509621 627161788 /nfs/dbraw/zinc/16/17/88/627161788.db2.gz BRPFHSCHURPXEO-QGZVFWFLSA-N 1 0 291.435 3.425 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H](C)Cc2cnccn2)cc1 ZINC000765442361 627249875 /nfs/dbraw/zinc/24/98/75/627249875.db2.gz UOHDDNWSIDPJPQ-CABCVRRESA-N 1 0 298.434 3.215 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2cc(C)n[nH]2)cc1 ZINC000766085590 627293614 /nfs/dbraw/zinc/29/36/14/627293614.db2.gz VASPMBYSDAIBNN-CYBMUJFWSA-N 1 0 272.396 3.025 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(F)cn1)c1ccc(N(C)C)cc1 ZINC000766608914 627347683 /nfs/dbraw/zinc/34/76/83/627347683.db2.gz UTIMTJIRPKKEBZ-GFCCVEGCSA-N 1 0 273.355 3.138 20 10 CGCDRO O=C(CC[N@H+](Cc1ccco1)Cc1ccccc1O)C1CC1 ZINC000767423549 627407696 /nfs/dbraw/zinc/40/76/96/627407696.db2.gz BMEMCIJIXFADNW-UHFFFAOYSA-N 1 0 299.370 3.357 20 10 CGCDRO CCC[NH+](CCC)Cc1cc(OCC)ccc1O ZINC000768136760 627462527 /nfs/dbraw/zinc/46/25/27/627462527.db2.gz GUKKDPNLHOQESG-UHFFFAOYSA-N 1 0 251.370 3.413 20 10 CGCDRO Cc1ccc(O)c(C[NH+]2CCN(c3ccccc3C)CC2)c1 ZINC000768192688 627467401 /nfs/dbraw/zinc/46/74/01/627467401.db2.gz REYMIRNNRVMTIE-UHFFFAOYSA-N 1 0 296.414 3.331 20 10 CGCDRO CCC[C@@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000768337324 627474072 /nfs/dbraw/zinc/47/40/72/627474072.db2.gz DRCKHUHVVRTTDC-CQSZACIVSA-N 1 0 294.414 3.283 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000768360668 627475847 /nfs/dbraw/zinc/47/58/47/627475847.db2.gz OAMFKNXBLXBCCM-HNNXBMFYSA-N 1 0 283.371 3.390 20 10 CGCDRO C[C@@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(N(C)C)cc1 ZINC000768892805 627506237 /nfs/dbraw/zinc/50/62/37/627506237.db2.gz LKOGHPDQGRXBFT-MRXNPFEDSA-N 1 0 298.430 3.136 20 10 CGCDRO COc1cccc(C[N@@H+]2CCOc3ccccc3[C@@H]2C)c1O ZINC000768930195 627509995 /nfs/dbraw/zinc/50/99/95/627509995.db2.gz MNKPHLBYRMQJGW-ZDUSSCGKSA-N 1 0 299.370 3.356 20 10 CGCDRO Oc1cccc(Cl)c1C[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000769314373 627540113 /nfs/dbraw/zinc/54/01/13/627540113.db2.gz YDJAKTXJYCEJIN-LBPRGKRZSA-N 1 0 291.782 3.079 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCc3ccc(F)cc3C2)cc1 ZINC000769403566 627549304 /nfs/dbraw/zinc/54/93/04/627549304.db2.gz DMNXJDFITPRBHN-UHFFFAOYSA-N 1 0 284.378 3.450 20 10 CGCDRO CCOc1ccc(C[N@@H+]2C[C@H](C)C[C@H]2CC)c(O)c1 ZINC000769449126 627553882 /nfs/dbraw/zinc/55/38/82/627553882.db2.gz ZCOOVGKJBRHDMH-TZMCWYRMSA-N 1 0 263.381 3.411 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCCOC[C@@H]2C)cc1 ZINC000769458243 627554932 /nfs/dbraw/zinc/55/49/32/627554932.db2.gz ZPSZXOQQQWAXDB-HNNXBMFYSA-N 1 0 276.424 3.144 20 10 CGCDRO Oc1cccc(Cl)c1C[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000770286603 627611932 /nfs/dbraw/zinc/61/19/32/627611932.db2.gz RYLUMLXHVXBCBB-RISCZKNCSA-N 1 0 281.783 3.047 20 10 CGCDRO Cc1cc(O)c(C[N@H+](C)Cc2cccc(O)c2)cc1C ZINC000771935097 627746668 /nfs/dbraw/zinc/74/66/68/627746668.db2.gz LERVPTCECXLYHU-UHFFFAOYSA-N 1 0 271.360 3.347 20 10 CGCDRO Cc1cc(NCc2ccccc2O)c2cc(F)ccc2[nH+]1 ZINC000774524488 628001955 /nfs/dbraw/zinc/00/19/55/628001955.db2.gz UYRZBHBJJJRPIF-UHFFFAOYSA-N 1 0 282.318 3.422 20 10 CGCDRO c1ccc(CC2([NH2+]Cc3ccc4c(c3)CCO4)CC2)cc1 ZINC000775328130 628083192 /nfs/dbraw/zinc/08/31/92/628083192.db2.gz YAPIQTDISSUCCF-UHFFFAOYSA-N 1 0 279.383 3.486 20 10 CGCDRO COc1cc(C)nc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775364470 628086459 /nfs/dbraw/zinc/08/64/59/628086459.db2.gz RAFFDSVEPOBTOL-AWEZNQCLSA-N 1 0 299.418 3.315 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H](CO)Cc1ccccc1)c1ccccc1O ZINC000775488127 628099487 /nfs/dbraw/zinc/09/94/87/628099487.db2.gz HTCTUPLKDJKFLJ-SJLPKXTDSA-N 1 0 299.414 3.284 20 10 CGCDRO CC[C@@H]([NH2+]CCN1CCCC[C@H]1C)c1ccccc1O ZINC000775489214 628100527 /nfs/dbraw/zinc/10/05/27/628100527.db2.gz UTHZTVGZXLLLSY-GDBMZVCRSA-N 1 0 276.424 3.307 20 10 CGCDRO CC[C@@H]([NH2+]CCn1ccnc1C)c1cc(Cl)ccc1O ZINC000775500099 628100703 /nfs/dbraw/zinc/10/07/03/628100703.db2.gz OKFUNOKHCGNMLK-CQSZACIVSA-N 1 0 293.798 3.291 20 10 CGCDRO CCC[C@@H](O)C[NH2+][C@@H](CC)c1cc(Cl)ccc1O ZINC000775503638 628102079 /nfs/dbraw/zinc/10/20/79/628102079.db2.gz LEXMFPHZFGIRSN-YPMHNXCESA-N 1 0 271.788 3.247 20 10 CGCDRO CC[C@H](C[C@H](C)CO)[NH2+][C@@H](CC)c1ccccc1O ZINC000775512390 628102691 /nfs/dbraw/zinc/10/26/91/628102691.db2.gz KGXQFBGMQVVAGB-GUTXKFCHSA-N 1 0 265.397 3.230 20 10 CGCDRO CC[C@H]([NH2+]CCc1cnc(C)s1)c1ccccc1O ZINC000775522039 628103148 /nfs/dbraw/zinc/10/31/48/628103148.db2.gz HXLBQKRFMXIMCW-AWEZNQCLSA-N 1 0 276.405 3.441 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CCOc3ccccc3[C@@H]2C)c1 ZINC000775658258 628120926 /nfs/dbraw/zinc/12/09/26/628120926.db2.gz MCZJWKNOAVXDEI-ZDUSSCGKSA-N 1 0 299.370 3.356 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+]2CCCOC(C)(C)C2)c1O ZINC000775711135 628128083 /nfs/dbraw/zinc/12/80/83/628128083.db2.gz VEQIYJRRQVIWSB-UHFFFAOYSA-N 1 0 283.799 3.355 20 10 CGCDRO CO[C@]1(C)C[C@@H]([N@H+](C)Cc2cccc(C)c2O)C1(C)C ZINC000775735542 628131443 /nfs/dbraw/zinc/13/14/43/628131443.db2.gz RPYRJWYKFIKPLZ-RHSMWYFYSA-N 1 0 277.408 3.336 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+][C@@H](C)CN2CCCCC2)c1O ZINC000775971729 628154330 /nfs/dbraw/zinc/15/43/30/628154330.db2.gz LATAKJCZZOPTAF-ZDUSSCGKSA-N 1 0 296.842 3.318 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CC[C@H]3CCC[C@@H]3C2)c1 ZINC000776175327 628176402 /nfs/dbraw/zinc/17/64/02/628176402.db2.gz PITMXSTWOVFZJQ-UMVBOHGHSA-N 1 0 275.392 3.459 20 10 CGCDRO COc1ccc(O)c(C[NH2+]Cc2nccc3ccccc32)c1 ZINC000776175020 628176708 /nfs/dbraw/zinc/17/67/08/628176708.db2.gz VSCNVWGEHAQKMB-UHFFFAOYSA-N 1 0 294.354 3.239 20 10 CGCDRO Cc1cccc(C[NH2+]CC(C)(C)[C@@H]2CCCCO2)c1O ZINC000776248783 628183979 /nfs/dbraw/zinc/18/39/79/628183979.db2.gz OTVIIZAHMJRVKV-HNNXBMFYSA-N 1 0 277.408 3.386 20 10 CGCDRO CCC(CC)[C@H](CC[NH2+]Cc1cc(OC)ccc1O)OC ZINC000776254016 628185412 /nfs/dbraw/zinc/18/54/12/628185412.db2.gz ZJIDLEUPXFENQI-KRWDZBQOSA-N 1 0 295.423 3.332 20 10 CGCDRO CCOC[C@H](C)[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000779072169 628386751 /nfs/dbraw/zinc/38/67/51/628386751.db2.gz JGUASOCVBDRQMS-SCVCMEIPSA-N 1 0 267.344 3.094 20 10 CGCDRO CC(C)(C[NH2+]Cc1cc(F)ccc1O)[C@H]1CCCCO1 ZINC000779090570 628388187 /nfs/dbraw/zinc/38/81/87/628388187.db2.gz JIJHGZWTTORNFB-OAHLLOKOSA-N 1 0 281.371 3.216 20 10 CGCDRO Cc1cc(Cl)cc(C[N@H+](C)C[C@H]2CCCC[C@@H]2O)c1O ZINC000779152998 628390811 /nfs/dbraw/zinc/39/08/11/628390811.db2.gz IZRGBYPDZUBUQH-DOMZBBRYSA-N 1 0 297.826 3.337 20 10 CGCDRO CC[C@]1(O)CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000779220146 628394996 /nfs/dbraw/zinc/39/49/96/628394996.db2.gz YJPDWXHMVWFUEU-SFHVURJKSA-N 1 0 288.435 3.024 20 10 CGCDRO COCC[C@@H]([NH2+]Cc1cc(C)ccc1O)c1ccco1 ZINC000779993393 628450031 /nfs/dbraw/zinc/45/00/31/628450031.db2.gz GSGGOTLPHNVVDV-CQSZACIVSA-N 1 0 275.348 3.161 20 10 CGCDRO COc1ccc(N2CCC([NH2+][C@H]3CC[C@H]3C)CC2)cc1 ZINC000783236904 628692407 /nfs/dbraw/zinc/69/24/07/628692407.db2.gz KTHOAYVLOIJSHK-DYVFJYSZSA-N 1 0 274.408 3.052 20 10 CGCDRO C[C@@H]([NH2+]CCN1c2ccccc2C[C@H]1C)c1ccccc1O ZINC000783505132 628719059 /nfs/dbraw/zinc/71/90/59/628719059.db2.gz MAMJKTRVYLBLDY-HUUCEWRRSA-N 1 0 296.414 3.494 20 10 CGCDRO CC(C)c1cc(C[NH2+][C@H](C)c2ccccc2O)on1 ZINC000783510650 628719674 /nfs/dbraw/zinc/71/96/74/628719674.db2.gz QKUIWGFEGUUUTK-LLVKDONJSA-N 1 0 260.337 3.354 20 10 CGCDRO C[C@H](C[C@H](C)O)[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000783535593 628723114 /nfs/dbraw/zinc/72/31/14/628723114.db2.gz HSOXHNVTKRHKDP-OWCLPIDISA-N 1 0 290.451 3.487 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1C[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000783593222 628730374 /nfs/dbraw/zinc/73/03/74/628730374.db2.gz OHWUVOMNJQAUGB-KCQAQPDRSA-N 1 0 275.392 3.411 20 10 CGCDRO CS[C@H](C[NH2+]Cc1ccccc1O)C(C)(C)C ZINC000784625496 628825750 /nfs/dbraw/zinc/82/57/50/628825750.db2.gz FXMRGKUEOIUCTB-CYBMUJFWSA-N 1 0 253.411 3.260 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](OC)C2)cc1 ZINC000784669257 628828149 /nfs/dbraw/zinc/82/81/49/628828149.db2.gz YWOYGZVATDSVMA-QAPCUYQASA-N 1 0 290.451 3.390 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]C2CC(OC(C)(C)C)C2)c1 ZINC000784683295 628829256 /nfs/dbraw/zinc/82/92/56/628829256.db2.gz YFCLHBOTUJMGSU-UHFFFAOYSA-N 1 0 263.381 3.136 20 10 CGCDRO C[NH+](C)[C@@H]1CCOc2c(NCc3ccccc3O)cccc21 ZINC000788536012 629063106 /nfs/dbraw/zinc/06/31/06/629063106.db2.gz OLIBNXYPTUWLSZ-MRXNPFEDSA-N 1 0 298.386 3.390 20 10 CGCDRO COCC1(C[NH2+][C@H](C)c2c(C)cc(C)cc2O)CCC1 ZINC000788825702 629085183 /nfs/dbraw/zinc/08/51/83/629085183.db2.gz ZHEDDXJVDRMWKH-CQSZACIVSA-N 1 0 277.408 3.476 20 10 CGCDRO CC[N@H+](CCC1CCOCC1)Cc1ccc(N(C)C)cc1 ZINC000789743688 629165433 /nfs/dbraw/zinc/16/54/33/629165433.db2.gz FVZUHCVHNYTKIU-UHFFFAOYSA-N 1 0 290.451 3.391 20 10 CGCDRO CN(C)c1cc(F)c(C[NH+]2CCCCC2)cc1F ZINC000862253685 629330817 /nfs/dbraw/zinc/33/08/17/629330817.db2.gz UCZPFNUPQRHQSG-UHFFFAOYSA-N 1 0 254.324 3.017 20 10 CGCDRO COCC[N@H+](Cc1cccc(OC)c1O)[C@H]1CC[C@H](C)C1 ZINC000792192827 629346805 /nfs/dbraw/zinc/34/68/05/629346805.db2.gz NZUNXUBAKHTSOM-ZFWWWQNUSA-N 1 0 293.407 3.038 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CCSCC[C@H]2C)c(O)c1 ZINC000792197006 629348856 /nfs/dbraw/zinc/34/88/56/629348856.db2.gz NZIAEUXYYIMTGA-GFCCVEGCSA-N 1 0 281.421 3.118 20 10 CGCDRO CN(C)c1ccc(C[NH+]2CC(Cc3ccco3)C2)cc1F ZINC000862486471 629387360 /nfs/dbraw/zinc/38/73/60/629387360.db2.gz FOSAPWVSFUVBHW-UHFFFAOYSA-N 1 0 288.366 3.159 20 10 CGCDRO CCC(O)(CC)C[N@H+](C)Cc1c(O)cccc1Cl ZINC000862539097 629394151 /nfs/dbraw/zinc/39/41/51/629394151.db2.gz HTFYKDOGKDNYFG-UHFFFAOYSA-N 1 0 271.788 3.029 20 10 CGCDRO Oc1ccc([C@H]2CC[N@H+](Cc3ccccc3O)C2)cc1 ZINC000862540667 629396521 /nfs/dbraw/zinc/39/65/21/629396521.db2.gz JAKNHYISKOHDQO-AWEZNQCLSA-N 1 0 269.344 3.087 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H](c2ccc(O)cc2)C1 ZINC000862541633 629396967 /nfs/dbraw/zinc/39/69/67/629396967.db2.gz YFSFWMKEFPNTTD-CQSZACIVSA-N 1 0 299.370 3.096 20 10 CGCDRO CCOc1ccc(C[NH2+]C[C@@H]2CC[C@H](C)C2)c(O)c1 ZINC000793347252 629445650 /nfs/dbraw/zinc/44/56/50/629445650.db2.gz RFWQFMBPTWRFBC-QWHCGFSZSA-N 1 0 263.381 3.317 20 10 CGCDRO COc1ccc(O)c(C[N@H+](C)[C@H]2CCC(C)(C)C2)c1 ZINC000793351041 629446469 /nfs/dbraw/zinc/44/64/69/629446469.db2.gz FJPBYTQZDUWDLO-ZDUSSCGKSA-N 1 0 263.381 3.411 20 10 CGCDRO COc1ccc(C[NH2+]C[C@H]2C(C)=CCC[C@@H]2C)c(O)c1 ZINC000793387455 629452722 /nfs/dbraw/zinc/45/27/22/629452722.db2.gz FBKIBANBIWQQMY-BBRMVZONSA-N 1 0 275.392 3.483 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H](O)CC(C)C)c1ccc(C)cc1O ZINC000794805848 629580183 /nfs/dbraw/zinc/58/01/83/629580183.db2.gz RIUSQELRNZVDMI-DZGCQCFKSA-N 1 0 265.397 3.148 20 10 CGCDRO CC[C@@H]([NH2+]C[C@](C)(O)C(C)C)c1ccc(C)cc1O ZINC000794806331 629580241 /nfs/dbraw/zinc/58/02/41/629580241.db2.gz HJZIUWUQAUAPML-ZBFHGGJFSA-N 1 0 265.397 3.148 20 10 CGCDRO CC[C@@H]([NH2+][C@H]1CC[C@H](O)CC1)c1ccc(C)cc1O ZINC000794817034 629580974 /nfs/dbraw/zinc/58/09/74/629580974.db2.gz OIOIDAIDZBQFLK-UMVBOHGHSA-N 1 0 263.381 3.045 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H]1CCC=CO1)c1ccc(C)cc1O ZINC000794817727 629581229 /nfs/dbraw/zinc/58/12/29/629581229.db2.gz VGCLKNFLRLNTJH-ZFWWWQNUSA-N 1 0 261.365 3.434 20 10 CGCDRO CC[C@H]([NH2+]Cc1cccc(F)n1)c1ccc(C)cc1O ZINC000794815948 629581662 /nfs/dbraw/zinc/58/16/62/629581662.db2.gz MLGDYTYNNWCBDZ-AWEZNQCLSA-N 1 0 274.339 3.476 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ncccc1F)c1ccc(C)cc1O ZINC000794819746 629582488 /nfs/dbraw/zinc/58/24/88/629582488.db2.gz XKKJIZTUXGVKTR-CQSZACIVSA-N 1 0 274.339 3.476 20 10 CGCDRO CCN(CC)[C@H](C)C[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000794835032 629585225 /nfs/dbraw/zinc/58/52/25/629585225.db2.gz ZKVZQUMJZJGAET-OUCADQQQSA-N 1 0 294.414 3.400 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCCC[C@H]2c2cc[nH]n2)c1 ZINC000795665604 629707399 /nfs/dbraw/zinc/70/73/99/629707399.db2.gz GCDDNCBZEPIWEY-INIZCTEOSA-N 1 0 285.391 3.459 20 10 CGCDRO CCc1cccc(C[NH+]2CCC(C)(F)CC2)c1O ZINC000864051033 629745577 /nfs/dbraw/zinc/74/55/77/629745577.db2.gz YTHDVSMXCRFUHY-UHFFFAOYSA-N 1 0 251.345 3.279 20 10 CGCDRO FC(F)(F)C1(C[NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000796491622 629789886 /nfs/dbraw/zinc/78/98/86/629789886.db2.gz VHJCIOGEOOJBLB-UHFFFAOYSA-N 1 0 271.282 3.054 20 10 CGCDRO Oc1ccccc1C[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000798494083 630060110 /nfs/dbraw/zinc/06/01/10/630060110.db2.gz IXRNQWTYXYTTDR-VNQPRFMTSA-N 1 0 275.392 3.077 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCCc3cccnc32)cc1F ZINC000798927301 630125540 /nfs/dbraw/zinc/12/55/40/630125540.db2.gz RHMUOIPOLBYNAA-INIZCTEOSA-N 1 0 299.393 3.454 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](c3ccccn3)C2)cc1F ZINC000798962827 630129522 /nfs/dbraw/zinc/12/95/22/630129522.db2.gz QSSPAQJFCRHMMH-OAHLLOKOSA-N 1 0 299.393 3.276 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](CCO)Cc2ccccc2)c(O)c1 ZINC000799731081 630226758 /nfs/dbraw/zinc/22/67/58/630226758.db2.gz LORXTLPGEFZFLI-WBVHZDCISA-N 1 0 299.414 3.345 20 10 CGCDRO CCC[C@@H](CCO)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000865663557 630274232 /nfs/dbraw/zinc/27/42/32/630274232.db2.gz RZQOKAKMUCDXNJ-KRWDZBQOSA-N 1 0 290.451 3.318 20 10 CGCDRO COCC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(N(C)C)cc1C ZINC000800478490 630284434 /nfs/dbraw/zinc/28/44/34/630284434.db2.gz IZVILUSTZMNCDI-CRAIPNDOSA-N 1 0 290.451 3.356 20 10 CGCDRO c1cc(C[NH2+][C@@H]2CC[C@@H]2C2CCC2)cc2c1OCC2 ZINC000800968862 630314158 /nfs/dbraw/zinc/31/41/58/630314158.db2.gz DMIISSJBGJYCRX-HZPDHXFCSA-N 1 0 257.377 3.290 20 10 CGCDRO CC[C@H]([NH2+]C[C@H](CO)C(C)C)c1cc(Cl)ccc1O ZINC000806170240 630553081 /nfs/dbraw/zinc/55/30/81/630553081.db2.gz XWVQCKAGGDOISB-RISCZKNCSA-N 1 0 285.815 3.351 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCCSC2)cc1C ZINC000808431262 630644235 /nfs/dbraw/zinc/64/42/35/630644235.db2.gz YHOITVJQAIBWIL-CYBMUJFWSA-N 1 0 265.422 3.242 20 10 CGCDRO CCOCCC[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808671938 630662284 /nfs/dbraw/zinc/66/22/84/630662284.db2.gz WUCSPQLWXJWIQF-NSHDSACASA-N 1 0 271.788 3.431 20 10 CGCDRO COC[C@H](C)[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808671924 630662722 /nfs/dbraw/zinc/66/27/22/630662722.db2.gz WBUPOXPVHBGBGZ-VHSXEESVSA-N 1 0 257.761 3.040 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCCOC2)c1O ZINC000808693566 630665184 /nfs/dbraw/zinc/66/51/84/630665184.db2.gz HUIREVUUIFAIDG-JQWIXIFHSA-N 1 0 269.772 3.184 20 10 CGCDRO CC[C@@H](O)CC[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808703279 630667318 /nfs/dbraw/zinc/66/73/18/630667318.db2.gz VVGFZDCIDXHMRD-ZYHUDNBSSA-N 1 0 271.788 3.166 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2C[C@@H](O)C2(C)C)c1O ZINC000808712714 630668874 /nfs/dbraw/zinc/66/88/74/630668874.db2.gz ANLLPDLULGMYJM-ZWKOPEQDSA-N 1 0 283.799 3.164 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CC2(C)OCCCO2)c1O ZINC000808715470 630669796 /nfs/dbraw/zinc/66/97/96/630669796.db2.gz FPBWSBXEHIAHTE-NSHDSACASA-N 1 0 299.798 3.158 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCC[C@H](C)O)c1O ZINC000808716814 630670631 /nfs/dbraw/zinc/67/06/31/630670631.db2.gz WQSCNWPMSBQKDM-WDEREUQCSA-N 1 0 271.788 3.166 20 10 CGCDRO COc1cccc(C[NH2+]C[C@H](C)CC(C)C)c1O ZINC000809740448 630792865 /nfs/dbraw/zinc/79/28/65/630792865.db2.gz YYMCEJGYBSLXLN-GFCCVEGCSA-N 1 0 251.370 3.173 20 10 CGCDRO COc1cccc(C[NH2+]Cc2cc(Cl)ccc2F)c1O ZINC000809739324 630795472 /nfs/dbraw/zinc/79/54/72/630795472.db2.gz GZJHPNMHFSPNGT-UHFFFAOYSA-N 1 0 295.741 3.483 20 10 CGCDRO COc1cccc(C[NH2+][C@H](C)CCC(F)(F)F)c1O ZINC000809739742 630796474 /nfs/dbraw/zinc/79/64/74/630796474.db2.gz CIUHAYAKJLVLGS-SECBINFHSA-N 1 0 277.286 3.221 20 10 CGCDRO CC[N@H+](CCC[NH+]1CCCC1)Cc1cccc(Cl)c1[O-] ZINC000809750328 630799130 /nfs/dbraw/zinc/79/91/30/630799130.db2.gz UJFUDWYCJTWEFM-UHFFFAOYSA-N 1 0 296.842 3.353 20 10 CGCDRO CCOc1ccc(O)c(C[N@H+](C)[C@H](CC)CSC)c1 ZINC000809767834 630803669 /nfs/dbraw/zinc/80/36/69/630803669.db2.gz VPSHUWMGSNOHGJ-CYBMUJFWSA-N 1 0 283.437 3.364 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](C3CCC3)C2)cc1OC ZINC000840189946 630820623 /nfs/dbraw/zinc/82/06/23/630820623.db2.gz UGLALWFPFHCMEN-ZDUSSCGKSA-N 1 0 291.391 3.031 20 10 CGCDRO CC[C@@H]([NH2+]CC[C@@H](C)O)c1ccc(C(F)(F)F)cc1O ZINC000810219502 630855532 /nfs/dbraw/zinc/85/55/32/630855532.db2.gz SZEATVVYFHUIIJ-BXKDBHETSA-N 1 0 291.313 3.223 20 10 CGCDRO CCCN(CC)C[C@@H](C)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000810262591 630862277 /nfs/dbraw/zinc/86/22/77/630862277.db2.gz TUOKUHJCZXSSDR-OLZOCXBDSA-N 1 0 282.403 3.302 20 10 CGCDRO COc1cccc(C[NH2+]C[C@@H]2CC(C)=C[C@@H](C)C2)c1O ZINC000811507015 631077337 /nfs/dbraw/zinc/07/73/37/631077337.db2.gz NYTOTIJNMBXHDQ-OCCSQVGLSA-N 1 0 275.392 3.483 20 10 CGCDRO COc1ccc(O)c(CNc2cc[nH+]c3c(O)cccc23)c1 ZINC000811806414 631121023 /nfs/dbraw/zinc/12/10/23/631121023.db2.gz VOHJMHNMPFCDJN-UHFFFAOYSA-N 1 0 296.326 3.267 20 10 CGCDRO COc1ccc(O)c(CNc2cc(C)[nH+]c3ccccc23)c1 ZINC000811806377 631121265 /nfs/dbraw/zinc/12/12/65/631121265.db2.gz UEMYVOHXFCORQZ-UHFFFAOYSA-N 1 0 294.354 3.291 20 10 CGCDRO CC(C)[N@H+](Cc1cc(Cl)ccc1O)[C@H]1CCOC1 ZINC000812776371 631305261 /nfs/dbraw/zinc/30/52/61/631305261.db2.gz KHNWHPHLVSVAFD-ZDUSSCGKSA-N 1 0 269.772 3.045 20 10 CGCDRO COC(C)(C)[C@H](C)[NH2+]CCCSc1nccs1 ZINC000815581353 631798786 /nfs/dbraw/zinc/79/87/86/631798786.db2.gz CZNUVPNGKJIVNH-JTQLQIEISA-N 1 0 274.455 3.028 20 10 CGCDRO CC[C@H](O)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000815628603 631809777 /nfs/dbraw/zinc/80/97/77/631809777.db2.gz FPAOKKMEIWQKHP-WMZOPIPTSA-N 1 0 299.414 3.427 20 10 CGCDRO C[C@@H]([NH2+][C@H](C)c1cc[nH]c(=O)c1)c1ccc(N(C)C)cc1 ZINC000815642931 631811945 /nfs/dbraw/zinc/81/19/45/631811945.db2.gz PBDSHGSUGOIFDE-CHWSQXEVSA-N 1 0 285.391 3.265 20 10 CGCDRO CO[C@H](C[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F)C1CC1 ZINC000815651415 631814289 /nfs/dbraw/zinc/81/42/89/631814289.db2.gz SFEZWSVQBXLHNM-MRCXROJRSA-N 1 0 279.355 3.094 20 10 CGCDRO OCC[C@@H]1CCC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816504585 631996118 /nfs/dbraw/zinc/99/61/18/631996118.db2.gz SRERHPYVRIEWEP-AWEZNQCLSA-N 1 0 285.387 3.140 20 10 CGCDRO CCN(CC[NH2+]Cc1ccc2ccccc2c1O)C1CC1 ZINC000816545344 632007679 /nfs/dbraw/zinc/00/76/79/632007679.db2.gz MWTKNNWTRDSWQL-UHFFFAOYSA-N 1 0 284.403 3.119 20 10 CGCDRO CC(C)[C@](C)(O)C[NH2+]Cc1ccc2ccccc2c1O ZINC000816551124 632008702 /nfs/dbraw/zinc/00/87/02/632008702.db2.gz PTXUHAITIKQVDM-QGZVFWFLSA-N 1 0 273.376 3.042 20 10 CGCDRO CCOC(C)(C)C[NH2+]Cc1ccc2ccccc2c1O ZINC000816584770 632017055 /nfs/dbraw/zinc/01/70/55/632017055.db2.gz RXAVJUVURPIOCH-UHFFFAOYSA-N 1 0 273.376 3.450 20 10 CGCDRO CC[C@@H]1C[C@@H]([NH2+]Cc2c(O)cc(C)cc2Cl)CCO1 ZINC000817414759 632144641 /nfs/dbraw/zinc/14/46/41/632144641.db2.gz JQQZHQWCFWGXQN-NWDGAFQWSA-N 1 0 283.799 3.401 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCc3cccnc3CC2)cc1 ZINC000817576105 632186372 /nfs/dbraw/zinc/18/63/72/632186372.db2.gz NLXDOUUOWNNOOW-QGZVFWFLSA-N 1 0 295.430 3.185 20 10 CGCDRO C[C@@H]([NH2+]CC1([NH3+])CCCCCC1)c1ccc(F)cc1[O-] ZINC000817942790 632242353 /nfs/dbraw/zinc/24/23/53/632242353.db2.gz DXKAQWWRDAOYEZ-GFCCVEGCSA-N 1 0 280.387 3.234 20 10 CGCDRO C[C@@H](Cc1cccs1)[NH2+]CCc1ccc(N)cc1 ZINC000817955714 632250559 /nfs/dbraw/zinc/25/05/59/632250559.db2.gz FXJLXJWOOCALRS-LBPRGKRZSA-N 1 0 260.406 3.094 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1cccc(Cl)c1[O-] ZINC000817968472 632261851 /nfs/dbraw/zinc/26/18/51/632261851.db2.gz JYDRNUJNEWJEDC-RISCZKNCSA-N 1 0 282.815 3.228 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)[C@H](C)[NH3+])c1ccc(Cl)c(Cl)c1[O-] ZINC000817978252 632268411 /nfs/dbraw/zinc/26/84/11/632268411.db2.gz YZTQWZIVWJXMPQ-LAEOZQHASA-N 1 0 291.222 3.475 20 10 CGCDRO C[C@@H](N[C@@H](C)c1ccc(N2CCCCC2)c(F)c1)[C@H](C)[NH3+] ZINC000817978089 632268617 /nfs/dbraw/zinc/26/86/17/632268617.db2.gz VTMHZRXCHDPOBH-MJBXVCDLSA-N 1 0 293.430 3.202 20 10 CGCDRO C[C@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817977836 632269064 /nfs/dbraw/zinc/26/90/64/632269064.db2.gz QESOCVIZPZILDG-BDAKNGLRSA-N 1 0 291.222 3.477 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](CN)C2CCCC2)cc1 ZINC000817982472 632272875 /nfs/dbraw/zinc/27/28/75/632272875.db2.gz SSJZSOJYHUWEEV-KSSFIOAISA-N 1 0 289.467 3.311 20 10 CGCDRO CC[C@@H](C)C[NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818220994 632298967 /nfs/dbraw/zinc/29/89/67/632298967.db2.gz KGVCAXZWRMZINH-HUUCEWRRSA-N 1 0 276.424 3.157 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CC12CC2)c1ccc(Br)cc1O ZINC000818356254 632313926 /nfs/dbraw/zinc/31/39/26/632313926.db2.gz MDLZEOHILQZMNO-QPUJVOFHSA-N 1 0 282.181 3.358 20 10 CGCDRO C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@H]1C)c1cc(Cl)ccc1O ZINC000866443654 633133443 /nfs/dbraw/zinc/13/34/43/633133443.db2.gz RJXLNGXRYHGBCN-DNJQJEMRSA-N 1 0 269.772 3.262 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CC(C)(C)CC[C@H]2O)c(O)c1 ZINC000866452506 633142558 /nfs/dbraw/zinc/14/25/58/633142558.db2.gz IHOWSULSHZILEN-BPLDGKMQSA-N 1 0 277.408 3.291 20 10 CGCDRO c1cc(C[NH2+][C@@H]2CCCC23CCC3)cc2c1OCC2 ZINC000823753425 633149278 /nfs/dbraw/zinc/14/92/78/633149278.db2.gz WDEJEGNMVXXYPL-MRXNPFEDSA-N 1 0 257.377 3.434 20 10 CGCDRO C[C@H]([NH2+][C@@H](C1CCC1)[C@@H]1CCOC1)c1cc(F)ccc1O ZINC000866513627 633170293 /nfs/dbraw/zinc/17/02/93/633170293.db2.gz WYOLQGYOXQZTCS-PPHDSNJXSA-N 1 0 293.382 3.387 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]CCCC2CCOCC2)c1 ZINC000824477122 633249262 /nfs/dbraw/zinc/24/92/62/633249262.db2.gz DUWSSFLELMUXOB-UHFFFAOYSA-N 1 0 293.407 3.087 20 10 CGCDRO CCOc1ccc(C[NH2+]CC2=CCCCC2)c(O)c1 ZINC000824538645 633256615 /nfs/dbraw/zinc/25/66/15/633256615.db2.gz RCVYPKDSVCRBFD-UHFFFAOYSA-N 1 0 261.365 3.381 20 10 CGCDRO CC[C@@H](C)[C@@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)OC ZINC000824596176 633263540 /nfs/dbraw/zinc/26/35/40/633263540.db2.gz GGYYZLDDICFRFU-MLGOLLRUSA-N 1 0 282.403 3.042 20 10 CGCDRO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(N(CC)CC)cc1 ZINC000824636865 633266266 /nfs/dbraw/zinc/26/62/66/633266266.db2.gz UNWGFVYIQJSVCP-WMZOPIPTSA-N 1 0 290.451 3.126 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c1 ZINC000824696972 633275023 /nfs/dbraw/zinc/27/50/23/633275023.db2.gz WKDPZERVEBFOEC-LZLYRXPVSA-N 1 0 289.419 3.216 20 10 CGCDRO c1cc(C[NH2+]C[C@@H]2CCOC3(CCC3)C2)cc2c1OCC2 ZINC000824750427 633283340 /nfs/dbraw/zinc/28/33/40/633283340.db2.gz JAJFEDOBXCPNML-OAHLLOKOSA-N 1 0 287.403 3.060 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]C[C@@H]1CCOC2(CCC2)C1 ZINC000824750093 633283400 /nfs/dbraw/zinc/28/34/00/633283400.db2.gz CXVGFZJDMSHHGM-GFCCVEGCSA-N 1 0 295.810 3.485 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]C[C@H]2CCCC2(F)F)c1 ZINC000824799111 633292664 /nfs/dbraw/zinc/29/26/64/633292664.db2.gz KTGVNRRGEGEGNL-GFCCVEGCSA-N 1 0 285.334 3.316 20 10 CGCDRO C[C@]1(CC[NH2+]Cc2ccccc2O)CC1(Cl)Cl ZINC000824971150 633312092 /nfs/dbraw/zinc/31/20/92/633312092.db2.gz POEUBZSEQPKXMK-LBPRGKRZSA-N 1 0 274.191 3.456 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1C[C@@H](C)n2ccnc21)c1ccccc1O ZINC000825016355 633317759 /nfs/dbraw/zinc/31/77/59/633317759.db2.gz BPXOVINWSMWQAO-KWCYVHTRSA-N 1 0 271.364 3.335 20 10 CGCDRO OCC1(CC[NH2+]Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000825040340 633320691 /nfs/dbraw/zinc/32/06/91/633320691.db2.gz GZZHYTFVYUJYTJ-UHFFFAOYSA-N 1 0 297.398 3.311 20 10 CGCDRO COc1ncccc1C[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825101634 633328294 /nfs/dbraw/zinc/32/82/94/633328294.db2.gz GJKKOPLGDIIJRN-UHFFFAOYSA-N 1 0 292.766 3.047 20 10 CGCDRO COC[C@@H]([NH2+]Cc1cc(Cl)c(C)cc1O)C(C)C ZINC000825286310 633342393 /nfs/dbraw/zinc/34/23/93/633342393.db2.gz DQRVISWZXHFJDW-CYBMUJFWSA-N 1 0 271.788 3.115 20 10 CGCDRO CSC[C@H](C)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825298059 633343534 /nfs/dbraw/zinc/34/35/34/633343534.db2.gz UBRBCVHWDXNIBZ-VIFPVBQESA-N 1 0 259.802 3.195 20 10 CGCDRO CO[C@@H]1CCC[N@H+](Cc2cc(Cl)c(C)cc2O)CC1 ZINC000825489236 633357616 /nfs/dbraw/zinc/35/76/16/633357616.db2.gz FXVKDYNYTUIQEK-CYBMUJFWSA-N 1 0 283.799 3.355 20 10 CGCDRO CO[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000826064003 633401610 /nfs/dbraw/zinc/40/16/10/633401610.db2.gz CAGCSHYAMXGFFH-TZMCWYRMSA-N 1 0 269.772 3.011 20 10 CGCDRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000826120320 633406597 /nfs/dbraw/zinc/40/65/97/633406597.db2.gz BUNYSIFZZIYMQL-OCCSQVGLSA-N 1 0 269.772 3.011 20 10 CGCDRO C[C@@H](O)C1([NH2+]Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000827579695 633501340 /nfs/dbraw/zinc/50/13/40/633501340.db2.gz HLVQQMYVUMSDIQ-CYBMUJFWSA-N 1 0 283.371 3.062 20 10 CGCDRO C[C@H](O)[C@H]([NH2+]Cc1c(O)cccc1Cl)c1ccccc1 ZINC000827856837 633525589 /nfs/dbraw/zinc/52/55/89/633525589.db2.gz TWUSSYXFZPEWCI-ZBEGNZNMSA-N 1 0 291.778 3.257 20 10 CGCDRO Cc1cccc(C[N@@H+]2Cc3c[nH]nc3CC(C)(C)C2)c1O ZINC000828014265 633548556 /nfs/dbraw/zinc/54/85/56/633548556.db2.gz ZCHZAEHIDZMIGN-UHFFFAOYSA-N 1 0 285.391 3.008 20 10 CGCDRO CO[C@H](C)C[N@H+](C)Cc1ccc(N2CCCCC2)c(C)c1 ZINC000829767622 633779281 /nfs/dbraw/zinc/77/92/81/633779281.db2.gz AFORMGLPNAXBNX-MRXNPFEDSA-N 1 0 290.451 3.452 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)c(C)c1)[C@@H]1CCCOC1 ZINC000872046519 633969092 /nfs/dbraw/zinc/96/90/92/633969092.db2.gz XXJGLVRMRAVZGX-SJORKVTESA-N 1 0 290.451 3.356 20 10 CGCDRO COCC(C)(C)CC[NH2+][C@H](C)c1cccc(OC)c1O ZINC000872104343 634025185 /nfs/dbraw/zinc/02/51/85/634025185.db2.gz BIMDNMOAUQYEJY-GFCCVEGCSA-N 1 0 281.396 3.114 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC2(OC(C)C)CCC2)c1 ZINC000872116248 634041324 /nfs/dbraw/zinc/04/13/24/634041324.db2.gz PTBRZQKCJQXWTG-CYBMUJFWSA-N 1 0 293.407 3.399 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCC2(CO)CCC2)c(O)c1 ZINC000846209953 636159334 /nfs/dbraw/zinc/15/93/34/636159334.db2.gz JJZJBCVLRSOPID-AWEZNQCLSA-N 1 0 277.408 3.212 20 10 CGCDRO CCN(C)c1ccc(CN(C)[C@@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000832779086 634094698 /nfs/dbraw/zinc/09/46/98/634094698.db2.gz UIHVHUQDPXQDRN-GOSISDBHSA-N 1 0 289.467 3.057 20 10 CGCDRO C[C@@H]1CCC[C@H](C)N1CC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834575828 634187510 /nfs/dbraw/zinc/18/75/10/634187510.db2.gz OUBXKIPPKGAIRF-LZWOXQAQSA-N 1 0 288.435 3.232 20 10 CGCDRO COc1ccc(C)cc1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834630179 634202744 /nfs/dbraw/zinc/20/27/44/634202744.db2.gz WUHBVGCSLCZRDH-HNNXBMFYSA-N 1 0 283.371 3.486 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@@H](C)Cn2ccnc2)cc1C ZINC000873013215 634231038 /nfs/dbraw/zinc/23/10/38/634231038.db2.gz WUISYHOOQFTMCS-HNNXBMFYSA-N 1 0 287.407 3.159 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H]2C)cc1Cn1cccn1 ZINC000873045888 634236486 /nfs/dbraw/zinc/23/64/86/634236486.db2.gz JPSNXSVZYRLVTA-RHSMWYFYSA-N 1 0 299.418 3.218 20 10 CGCDRO OC[C@@H](C[NH2+][C@@H]1CCc2cccc(O)c21)CC1CCCC1 ZINC000834790688 634243970 /nfs/dbraw/zinc/24/39/70/634243970.db2.gz UUZGWOYUYKBFPA-GDBMZVCRSA-N 1 0 289.419 3.158 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2CC[C@@H](C)C2)cc1Cn1cccn1 ZINC000873112553 634247226 /nfs/dbraw/zinc/24/72/26/634247226.db2.gz WEXOLRFVZWECAL-PBHICJAKSA-N 1 0 299.418 3.218 20 10 CGCDRO CCCOc1ccc(C[NH2+]Cc2snnc2C)cc1C ZINC000873127207 634252020 /nfs/dbraw/zinc/25/20/20/634252020.db2.gz JACBVEOSVBQDRB-UHFFFAOYSA-N 1 0 291.420 3.234 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CC2=CCOCC2)c1O ZINC000834859764 634258476 /nfs/dbraw/zinc/25/84/76/634258476.db2.gz IVEQTFDNDKCCLD-NSHDSACASA-N 1 0 281.783 3.351 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](C)CCCO)c1O ZINC000834870913 634261325 /nfs/dbraw/zinc/26/13/25/634261325.db2.gz LNXPWHMWAUWARC-JQWIXIFHSA-N 1 0 285.815 3.413 20 10 CGCDRO CC[C@](C)(C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)OC ZINC000834882198 634264822 /nfs/dbraw/zinc/26/48/22/634264822.db2.gz KZMUYPHVNSUJHK-RSAASHCRSA-N 1 0 281.371 3.484 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]CC2(CF)CCOCC2)c(O)c1 ZINC000834886695 634267495 /nfs/dbraw/zinc/26/74/95/634267495.db2.gz VPXYLMLAYBTYTM-AWEZNQCLSA-N 1 0 295.398 3.426 20 10 CGCDRO CCn1ccnc1[C@@H](C)[NH2+][C@H](C)c1cc(C)ccc1O ZINC000834894237 634272044 /nfs/dbraw/zinc/27/20/44/634272044.db2.gz JLBKZQOKHFTHKN-CHWSQXEVSA-N 1 0 273.380 3.329 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CCCC[C@@H]2O)c(O)c1 ZINC000834896863 634273253 /nfs/dbraw/zinc/27/32/53/634273253.db2.gz OMUGKOMYLKSWBJ-KFWWJZLASA-N 1 0 277.408 3.211 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@H](O)c1ccccc1 ZINC000873194313 634278823 /nfs/dbraw/zinc/27/88/23/634278823.db2.gz SDBRIHDCJOGMTM-PKOBYXMFSA-N 1 0 297.398 3.223 20 10 CGCDRO C[C@H]1C[C@H]([NH2+]CC(C)(C)C(C)(C)O)c2c1c(F)ccc2O ZINC000834904821 634281213 /nfs/dbraw/zinc/28/12/13/634281213.db2.gz QVLIHCAGRQMYRA-JQWIXIFHSA-N 1 0 295.398 3.466 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCC[C@H]1O)c1ccc2ccccc2c1O ZINC000834913059 634284990 /nfs/dbraw/zinc/28/49/90/634284990.db2.gz GJPAROGJZLKJGQ-HFBAOOFYSA-N 1 0 271.360 3.109 20 10 CGCDRO Cc1cc(O)c(CNc2ccc([C@@H]3C[C@H]3[NH3+])cc2)cc1C ZINC000873214577 634286786 /nfs/dbraw/zinc/28/67/86/634286786.db2.gz ADXPFWUOYJCFGI-DLBZAZTESA-N 1 0 282.387 3.436 20 10 CGCDRO CN(C)c1ccc(/C=C\C[N@H+](C)[C@@H](CO)C(C)(C)C)cc1 ZINC000835028656 634325585 /nfs/dbraw/zinc/32/55/85/634325585.db2.gz OJWCXHZNIPXSSX-QWPQOLDESA-N 1 0 290.451 3.105 20 10 CGCDRO CN(C)c1ccc(/C=C/C[N@H+](CCCCO)C2CC2)cc1 ZINC000835027736 634325980 /nfs/dbraw/zinc/32/59/80/634325980.db2.gz GKPLKIRFUALXII-AATRIKPKSA-N 1 0 288.435 3.003 20 10 CGCDRO CS[C@H](C)C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835042411 634328168 /nfs/dbraw/zinc/32/81/68/634328168.db2.gz VFIBUMQOOWMHNL-URWSZGRFSA-N 1 0 264.438 3.107 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+]CCNc2ccccc2)cc1 ZINC000835042034 634330687 /nfs/dbraw/zinc/33/06/87/634330687.db2.gz GHJGXNSKIQLRBC-SREVYHEPSA-N 1 0 295.430 3.468 20 10 CGCDRO CO[C@H]1CCC[N@H+](C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000835046922 634333327 /nfs/dbraw/zinc/33/33/27/634333327.db2.gz AHTQTISVGDOWMX-JXTAAOLFSA-N 1 0 288.435 3.267 20 10 CGCDRO CN(C)c1ccc(/C=C/C[N@H+](C)CCc2ccncc2)cc1 ZINC000835048779 634335048 /nfs/dbraw/zinc/33/50/48/634335048.db2.gz YOBQCASKTYWNLB-SNAWJCMRSA-N 1 0 295.430 3.335 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@H]2CCSC2)cc1 ZINC000835051794 634337400 /nfs/dbraw/zinc/33/74/00/634337400.db2.gz JPEZRMWSCKVAMY-NHZBNJEXSA-N 1 0 276.449 3.109 20 10 CGCDRO CO[C@@H]1CC[N@H+](C/C=C/c2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000835053786 634338104 /nfs/dbraw/zinc/33/81/04/634338104.db2.gz YLHBRDDUBJKVHJ-CDZANEANSA-N 1 0 288.435 3.265 20 10 CGCDRO C[C@@H]1COCC[C@H]1C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835054848 634339433 /nfs/dbraw/zinc/33/94/33/634339433.db2.gz ZPXPDBHJSXWTSN-BUZJKLBMSA-N 1 0 288.435 3.028 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CCOC(C)(C)C2)cc1 ZINC000835060201 634341601 /nfs/dbraw/zinc/34/16/01/634341601.db2.gz PCMJNOXFSJJWSR-HNNXBMFYSA-N 1 0 276.424 3.047 20 10 CGCDRO CC[C@@H](C)C[N@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876611075 634867726 /nfs/dbraw/zinc/86/77/26/634867726.db2.gz QAZHZGPILXXSRV-OAHLLOKOSA-N 1 0 290.451 3.126 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCc2ccc(O)cc2CC1 ZINC000876654190 634875449 /nfs/dbraw/zinc/87/54/49/634875449.db2.gz YURQNQWHPAAUPM-UHFFFAOYSA-N 1 0 283.371 3.007 20 10 CGCDRO CSC[C@H]1CCC[N@@H+]1Cc1ccc(C)cc1O ZINC000876776919 634898184 /nfs/dbraw/zinc/89/81/84/634898184.db2.gz JBYFHWIMYZCGTM-CYBMUJFWSA-N 1 0 251.395 3.028 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C2)c(O)c1 ZINC000876891402 634922294 /nfs/dbraw/zinc/92/22/94/634922294.db2.gz XOBWRPMZBGSVBP-GOSISDBHSA-N 1 0 296.414 3.065 20 10 CGCDRO Cc1nc2ccccc2n1CC[NH2+]Cc1ccc(C)cc1O ZINC000876899717 634925196 /nfs/dbraw/zinc/92/51/96/634925196.db2.gz PBUWUQHZSZADDM-UHFFFAOYSA-N 1 0 295.386 3.149 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000876904994 634926041 /nfs/dbraw/zinc/92/60/41/634926041.db2.gz CBBXFRDBIQKWOL-UHFFFAOYSA-N 1 0 270.376 3.056 20 10 CGCDRO CCOc1cccc(C[NH2+]Cc2c(C)cccc2O)c1 ZINC000876937691 634931756 /nfs/dbraw/zinc/93/17/56/634931756.db2.gz ZEHRZEJCALQRSV-UHFFFAOYSA-N 1 0 271.360 3.389 20 10 CGCDRO COc1cccc(C)c1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000876996335 634946658 /nfs/dbraw/zinc/94/66/58/634946658.db2.gz SVWAEDFQMBAZNM-UHFFFAOYSA-N 1 0 283.371 3.228 20 10 CGCDRO COc1cccc(C2([NH2+]Cc3ccc(C)cc3O)CC2)c1 ZINC000877086381 634980589 /nfs/dbraw/zinc/98/05/89/634980589.db2.gz XIYBKLXINXQRMZ-UHFFFAOYSA-N 1 0 283.371 3.488 20 10 CGCDRO Cc1cccc(O)c1C[NH2+][C@H]1CCCC(F)(F)C1 ZINC000877089522 634981656 /nfs/dbraw/zinc/98/16/56/634981656.db2.gz NOCYTVOFJOYOGK-NSHDSACASA-N 1 0 255.308 3.368 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]CCC[C@@H]1CCCC[C@H]1O ZINC000877098884 634984249 /nfs/dbraw/zinc/98/42/49/634984249.db2.gz WTLAHPHQWRZQJP-GOEBONIOSA-N 1 0 277.408 3.122 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H](CO)c2ccc(Cl)cc2)c(O)c1 ZINC000877134984 634997770 /nfs/dbraw/zinc/99/77/70/634997770.db2.gz MTVMGDBVTCWJKL-HNNXBMFYSA-N 1 0 291.778 3.177 20 10 CGCDRO Cc1ccc(C[NH2+][C@H]2CCO[C@@H](CC(C)C)C2)c(O)c1 ZINC000877140938 635000137 /nfs/dbraw/zinc/00/01/37/635000137.db2.gz BTRKBCJDBBCEMZ-HOTGVXAUSA-N 1 0 277.408 3.384 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]C[C@@H](c1cccs1)N(C)C ZINC000877142445 635000476 /nfs/dbraw/zinc/00/04/76/635000476.db2.gz PUQODZIOMMDWRR-AWEZNQCLSA-N 1 0 290.432 3.155 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000877477347 635050840 /nfs/dbraw/zinc/05/08/40/635050840.db2.gz BGYVVJCJYFVOBN-LLVKDONJSA-N 1 0 273.298 3.475 20 10 CGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@H](C)[C@@H]1CC1(F)F ZINC000877479645 635052739 /nfs/dbraw/zinc/05/27/39/635052739.db2.gz VNCUPJKGXAPLSW-RISCZKNCSA-N 1 0 268.351 3.405 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1CCO[C@H]1CC)c1ccc(C)cc1O ZINC000840820033 635058667 /nfs/dbraw/zinc/05/86/67/635058667.db2.gz FZWALUFSMYYOPK-FMKPAKJESA-N 1 0 263.381 3.309 20 10 CGCDRO Cc1ccc(C[NH2+]C[C@@H]2CCC(F)(F)C2)c(O)c1 ZINC000877494325 635059429 /nfs/dbraw/zinc/05/94/29/635059429.db2.gz JXVNDNQRIMINQO-LLVKDONJSA-N 1 0 255.308 3.226 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)[C@@](C)(OC)C2CC2)c1 ZINC000840858637 635066698 /nfs/dbraw/zinc/06/66/98/635066698.db2.gz FQHHEQPIJSOFTL-XWCIJXRUSA-N 1 0 293.407 3.255 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)c1ccc(C)c(C)c1O)[C@@H](O)C(C)C ZINC000840883067 635073374 /nfs/dbraw/zinc/07/33/74/635073374.db2.gz RQPWHNYGTGMJJI-KBMXLJTQSA-N 1 0 279.424 3.455 20 10 CGCDRO COCCCCC[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840887237 635075345 /nfs/dbraw/zinc/07/53/45/635075345.db2.gz UBWKWBZNLXBCOG-UHFFFAOYSA-N 1 0 271.788 3.260 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H]1CCO[C@H](C)C1 ZINC000840894643 635077053 /nfs/dbraw/zinc/07/70/53/635077053.db2.gz RURZHZOYXJBBCO-UXLLHSPISA-N 1 0 290.451 3.149 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000840893502 635077312 /nfs/dbraw/zinc/07/73/12/635077312.db2.gz KCSPNFOYWPDOEL-JTOWHCCKSA-N 1 0 290.451 3.148 20 10 CGCDRO Cc1ccc(C[NH2+][C@H]2c3ccccc3O[C@H]2C)c(O)c1 ZINC000877536285 635077493 /nfs/dbraw/zinc/07/74/93/635077493.db2.gz MYGXRPVWBMMEGP-YVEFUNNKSA-N 1 0 269.344 3.312 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@]1(C)CCCS1 ZINC000840938081 635085656 /nfs/dbraw/zinc/08/56/56/635085656.db2.gz MQNXWLMQPGJMCN-MRXNPFEDSA-N 1 0 278.465 3.436 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000840942666 635088771 /nfs/dbraw/zinc/08/87/71/635088771.db2.gz RXHAYJUSMQDOCD-QGZVFWFLSA-N 1 0 295.430 3.446 20 10 CGCDRO CCOCc1cc(C[NH2+][C@@H]2CS[C@@H](C)C2)ccc1OC ZINC000840959655 635094094 /nfs/dbraw/zinc/09/40/94/635094094.db2.gz XXVXOSXKNDZWSC-WFASDCNBSA-N 1 0 295.448 3.215 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+][C@H]2CS[C@H](C)C2)c1O ZINC000840959697 635094207 /nfs/dbraw/zinc/09/42/07/635094207.db2.gz YJHLLQBCZAMVBD-BXKDBHETSA-N 1 0 271.813 3.338 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)c(O)c1 ZINC000877568520 635095137 /nfs/dbraw/zinc/09/51/37/635095137.db2.gz PYTIKJXHVHQYPQ-SJLPKXTDSA-N 1 0 298.386 3.106 20 10 CGCDRO CC(C)OCC(C)(C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000840973414 635097889 /nfs/dbraw/zinc/09/78/89/635097889.db2.gz JNYRCJFAFUWGPU-UHFFFAOYSA-N 1 0 282.403 3.185 20 10 CGCDRO COc1ccc(N(C)C[C@@H]2CC[NH2+][C@@H](C)C2)cc1Cl ZINC000841011825 635105999 /nfs/dbraw/zinc/10/59/99/635105999.db2.gz ONAWGZGESLJWDF-NWDGAFQWSA-N 1 0 282.815 3.173 20 10 CGCDRO Cc1ccc(C[N@@H+]2CC[C@H](c3cccnc3)C2)c(O)c1 ZINC000877604201 635107385 /nfs/dbraw/zinc/10/73/85/635107385.db2.gz JIQFOFXYPAWLJN-HNNXBMFYSA-N 1 0 268.360 3.085 20 10 CGCDRO CC[NH2+]Cc1cccc(NCc2cc(C)ccc2O)c1 ZINC000841043816 635113205 /nfs/dbraw/zinc/11/32/05/635113205.db2.gz VKMPYLWTTQKGDU-UHFFFAOYSA-N 1 0 270.376 3.422 20 10 CGCDRO C[C@H](CC1CCCC1)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000841046130 635114322 /nfs/dbraw/zinc/11/43/22/635114322.db2.gz WSGDMBLKFBJZPO-RDTXWAMCSA-N 1 0 289.467 3.311 20 10 CGCDRO COc1ccc2c(c1)C[N@@H+](Cc1c(C)cccc1O)C2 ZINC000877618671 635115984 /nfs/dbraw/zinc/11/59/84/635115984.db2.gz BXMGJOYQMMYNKM-UHFFFAOYSA-N 1 0 269.344 3.225 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000877633622 635124389 /nfs/dbraw/zinc/12/43/89/635124389.db2.gz OAZJOGPMKWZVIQ-MAUKXSAKSA-N 1 0 289.419 3.482 20 10 CGCDRO COc1cc(O)c(C[NH+]2CC(c3ccccc3)C2)cc1OC ZINC000877665862 635138749 /nfs/dbraw/zinc/13/87/49/635138749.db2.gz MDNHLHAFWAERNH-UHFFFAOYSA-N 1 0 299.370 3.009 20 10 CGCDRO Oc1cccc2c1CN(Cc1cnc(C3CC3)s1)C2 ZINC000877702548 635154123 /nfs/dbraw/zinc/15/41/23/635154123.db2.gz AWAOXPDDSFDZQI-UHFFFAOYSA-N 1 0 272.373 3.242 20 10 CGCDRO CC(C)n1nccc1C[NH2+][C@H](C)c1ccccc1O ZINC000877755451 635183805 /nfs/dbraw/zinc/18/38/05/635183805.db2.gz BMWGDCCQGRGSTI-GFCCVEGCSA-N 1 0 259.353 3.020 20 10 CGCDRO C[C@H]([NH2+]Cc1ccnn1CC1CCC1)c1ccccc1O ZINC000877758018 635186931 /nfs/dbraw/zinc/18/69/31/635186931.db2.gz DCUDUUNITMPTBC-ZDUSSCGKSA-N 1 0 285.391 3.240 20 10 CGCDRO Cc1nc(F)ccc1C[NH2+][C@@H](C)c1ccccc1O ZINC000877758400 635187126 /nfs/dbraw/zinc/18/71/26/635187126.db2.gz YHOPHPYQNRQGTC-NSHDSACASA-N 1 0 260.312 3.086 20 10 CGCDRO COC(=O)CC(C)(C)C[C@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000877758136 635187610 /nfs/dbraw/zinc/18/76/10/635187610.db2.gz KHBODLQYNZXOKA-STQMWFEESA-N 1 0 293.407 3.411 20 10 CGCDRO Cc1nn(C)c(C)c1C[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841746397 635221789 /nfs/dbraw/zinc/22/17/89/635221789.db2.gz GDSZRTFDUQBKOD-VIFPVBQESA-N 1 0 293.798 3.247 20 10 CGCDRO C[C@@H]([NH2+]CC1(O)CCCC1)c1ccc(Cl)cc1O ZINC000841763356 635232913 /nfs/dbraw/zinc/23/29/13/635232913.db2.gz MVUAEYJWHNEHNB-SNVBAGLBSA-N 1 0 269.772 3.001 20 10 CGCDRO C[C@H]([NH2+]CC1(N(C)C)CC1)c1cc2c(cc1O)CCCC2 ZINC000841762904 635233041 /nfs/dbraw/zinc/23/30/41/635233041.db2.gz NFANRMNVSOIGMG-ZDUSSCGKSA-N 1 0 288.435 3.016 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc(C)cc1O)[C@@H](O)c1ccccc1 ZINC000877832433 635233229 /nfs/dbraw/zinc/23/32/29/635233229.db2.gz LQXRVAAWIPZCGQ-AEFFLSMTSA-N 1 0 285.387 3.302 20 10 CGCDRO C[C@@H]([NH2+]CC1(N(C)C)CC1)c1cc2c(cc1O)CCCC2 ZINC000841762901 635233322 /nfs/dbraw/zinc/23/33/22/635233322.db2.gz NFANRMNVSOIGMG-CYBMUJFWSA-N 1 0 288.435 3.016 20 10 CGCDRO Oc1ccc(F)cc1C[NH+]1CCC(OC2CCC2)CC1 ZINC000841887956 635246241 /nfs/dbraw/zinc/24/62/41/635246241.db2.gz AYFXRAGPYDBHDE-UHFFFAOYSA-N 1 0 279.355 3.065 20 10 CGCDRO COCCCC[N@H+](C)Cc1ccc2ccccc2c1O ZINC000841893264 635249431 /nfs/dbraw/zinc/24/94/31/635249431.db2.gz CBSGWITVJMNFRS-UHFFFAOYSA-N 1 0 273.376 3.404 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2scnc2Cl)c1 ZINC000878361176 635473944 /nfs/dbraw/zinc/47/39/44/635473944.db2.gz WUOQNGAKNJAVBQ-QMMMGPOBSA-N 1 0 298.795 3.362 20 10 CGCDRO C[C@@H]([NH2+]CCC(=O)N(C)c1ccccc1)c1ccccc1O ZINC000879649604 635826902 /nfs/dbraw/zinc/82/69/02/635826902.db2.gz XKZGZBGQTPJLJQ-CQSZACIVSA-N 1 0 298.386 3.096 20 10 CGCDRO Cc1cc(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)ccc1N(C)C ZINC000844469042 635910965 /nfs/dbraw/zinc/91/09/65/635910965.db2.gz UDYRMNOWLIKRCP-OAHLLOKOSA-N 1 0 280.362 3.292 20 10 CGCDRO CC[C@H]1C[N@H+](Cc2cc(C)c(C)cc2O)[C@H](C)CO1 ZINC000844729335 635957682 /nfs/dbraw/zinc/95/76/82/635957682.db2.gz HSXRYMFUESTGKS-HIFRSBDPSA-N 1 0 263.381 3.008 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CNc3ccccc3C2)c1 ZINC000844919283 635983423 /nfs/dbraw/zinc/98/34/23/635983423.db2.gz DKGKTUOWACFMIN-OCCSQVGLSA-N 1 0 298.386 3.088 20 10 CGCDRO CC(C)O[C@H]1CCC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000846013558 636128914 /nfs/dbraw/zinc/12/89/14/636128914.db2.gz CLLBIIQRFBSSEO-HNNXBMFYSA-N 1 0 294.414 3.281 20 10 CGCDRO CC(C)O[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000846013561 636130027 /nfs/dbraw/zinc/13/00/27/636130027.db2.gz CLLBIIQRFBSSEO-OAHLLOKOSA-N 1 0 294.414 3.281 20 10 CGCDRO CCOc1ccc(C[N@@H+]2C[C@@H](CC)OC[C@@H]2CC)c(O)c1 ZINC000846027787 636131857 /nfs/dbraw/zinc/13/18/57/636131857.db2.gz QVAZJDVLORYSQQ-LSDHHAIUSA-N 1 0 293.407 3.180 20 10 CGCDRO CC[N@H+](C/C=C/c1ccc(N(C)C)cc1)[C@H]1CCCOC1 ZINC000846052635 636139276 /nfs/dbraw/zinc/13/92/76/636139276.db2.gz PLPWBGVTYOJTTR-FZMUQLTDSA-N 1 0 288.435 3.267 20 10 CGCDRO COC[C@H](CC(C)C)[NH2+]Cc1cc(Cl)ccc1O ZINC000846054758 636139366 /nfs/dbraw/zinc/13/93/66/636139366.db2.gz FRKRQYYKBUBTPY-ZDUSSCGKSA-N 1 0 271.788 3.196 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)c1O ZINC000846104323 636142983 /nfs/dbraw/zinc/14/29/83/636142983.db2.gz HBVVFBKOZGLADC-CQSZACIVSA-N 1 0 267.319 3.322 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]CCC(C)(C)C)c1O ZINC000846144864 636149407 /nfs/dbraw/zinc/14/94/07/636149407.db2.gz NSOCPTULVQTMOL-NSHDSACASA-N 1 0 251.370 3.488 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)c1cccc(OC)c1O)C1CCOCC1 ZINC000846144052 636149410 /nfs/dbraw/zinc/14/94/10/636149410.db2.gz FWFLYYVHNNEOFJ-WFASDCNBSA-N 1 0 293.407 3.257 20 10 CGCDRO CCC(CC)(CCO)C[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846148371 636149749 /nfs/dbraw/zinc/14/97/49/636149749.db2.gz QVWUSNCSKKVKPB-CYBMUJFWSA-N 1 0 295.423 3.240 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)c1O ZINC000846157493 636150312 /nfs/dbraw/zinc/15/03/12/636150312.db2.gz COWSRRZDCIAFLW-YVECIDJPSA-N 1 0 279.380 3.007 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+][C@H](C)c2ccc[nH]2)c1O ZINC000846158178 636150431 /nfs/dbraw/zinc/15/04/31/636150431.db2.gz UMYMSKWXIHWPQS-GHMZBOCLSA-N 1 0 260.337 3.141 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@H]2CC(C)(C)OC2(C)C)c1O ZINC000846164907 636151177 /nfs/dbraw/zinc/15/11/77/636151177.db2.gz ZWYQXEIYZMVMCC-FZMZJTMJSA-N 1 0 293.407 3.398 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]C[C@H]2CCOC(C)(C)C2)c1O ZINC000846168035 636151901 /nfs/dbraw/zinc/15/19/01/636151901.db2.gz GEQFGLJXMHEAQX-OLZOCXBDSA-N 1 0 293.407 3.257 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]CC(C)(C)OCC2CC2)c1O ZINC000846174902 636153983 /nfs/dbraw/zinc/15/39/83/636153983.db2.gz WOYSNNJNFHHAGO-LBPRGKRZSA-N 1 0 293.407 3.257 20 10 CGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(C)cn1 ZINC000129189404 636194710 /nfs/dbraw/zinc/19/47/10/636194710.db2.gz CYTFZJPYGMVWTQ-UHFFFAOYSA-N 1 0 283.419 3.478 20 10 CGCDRO CC(C)COCC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000129796810 636372029 /nfs/dbraw/zinc/37/20/29/636372029.db2.gz GFFHYPBJLRQBII-AWEZNQCLSA-N 1 0 264.413 3.076 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)[C@H]2CCSC2)cc1 ZINC000130626621 636486381 /nfs/dbraw/zinc/48/63/81/636486381.db2.gz GUTDWLHFDUNIRA-INIZCTEOSA-N 1 0 278.465 3.470 20 10 CGCDRO C[C@H](Cc1ccccn1)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000848566608 636609655 /nfs/dbraw/zinc/60/96/55/636609655.db2.gz CBDXOHJHOHJJEM-FYCOFBDGSA-N 1 0 295.430 3.382 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H](C)Cc2ccccn2)cc1C ZINC000848567488 636610513 /nfs/dbraw/zinc/61/05/13/636610513.db2.gz WTERXXIHRJKWNE-CQSZACIVSA-N 1 0 270.376 3.125 20 10 CGCDRO COc1cccc(O)c1C[NH2+]CC[C@@H]1CCCC1(F)F ZINC000883265774 636636453 /nfs/dbraw/zinc/63/64/53/636636453.db2.gz KUZLEKZWQZTQJE-NSHDSACASA-N 1 0 285.334 3.316 20 10 CGCDRO CCc1cccc(C[N@H+](CC)Cc2ccccn2)c1O ZINC000848884705 636673152 /nfs/dbraw/zinc/67/31/52/636673152.db2.gz ORYJUFCWXKADIZ-UHFFFAOYSA-N 1 0 270.376 3.372 20 10 CGCDRO CCc1cccc(C[N@H+](CCCO)Cc2ccccc2)c1O ZINC000848887048 636675361 /nfs/dbraw/zinc/67/53/61/636675361.db2.gz ZVLHEFYHXAKXBJ-UHFFFAOYSA-N 1 0 299.414 3.339 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H](C)Cc2ccc(O)cc2)c1O ZINC000848895613 636678609 /nfs/dbraw/zinc/67/86/09/636678609.db2.gz OPNJZFLRGKYGQL-ZDUSSCGKSA-N 1 0 285.387 3.381 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@@H]2OCCc3ccccc32)c1O ZINC000848896969 636679634 /nfs/dbraw/zinc/67/96/34/636679634.db2.gz LNKLYPSPWPBUJN-SFHVURJKSA-N 1 0 297.398 3.358 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H](C)C(=O)Nc2ccccc2)c1O ZINC000848896249 636679892 /nfs/dbraw/zinc/67/98/92/636679892.db2.gz WGHCUXDCWRBXCL-ZDUSSCGKSA-N 1 0 298.386 3.071 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@@H](O)c2cccc(C)c2)c1O ZINC000848898360 636680762 /nfs/dbraw/zinc/68/07/62/636680762.db2.gz BAVZDDBLLVQMSI-QGZVFWFLSA-N 1 0 285.387 3.086 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCC[C@H]2C2CCOCC2)c1O ZINC000848900943 636681433 /nfs/dbraw/zinc/68/14/33/636681433.db2.gz RVBWVRRLZUPZPM-KRWDZBQOSA-N 1 0 289.419 3.346 20 10 CGCDRO CCc1cccc(C[NH+]2CCC([C@@H]3CCCO3)CC2)c1O ZINC000848906754 636683356 /nfs/dbraw/zinc/68/33/56/636683356.db2.gz YSWGPFQUSNXQAM-KRWDZBQOSA-N 1 0 289.419 3.346 20 10 CGCDRO CCCN(Cc1cc2n(n1)CCCC2)c1ccc(C[NH3+])cc1 ZINC000848907040 636685235 /nfs/dbraw/zinc/68/52/35/636685235.db2.gz GXGQKCVZRGAHOI-UHFFFAOYSA-N 1 0 298.434 3.095 20 10 CGCDRO CCc1cccc(C[N@H+](C)[C@H](CO)CC(C)(C)C)c1O ZINC000848915067 636688885 /nfs/dbraw/zinc/68/88/85/636688885.db2.gz RYDWHQIXCLGGBD-HNNXBMFYSA-N 1 0 279.424 3.184 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H](C)C2(OC)CCC2)c1O ZINC000848916765 636689642 /nfs/dbraw/zinc/68/96/42/636689642.db2.gz MKJRPMUTEGCLMT-LBPRGKRZSA-N 1 0 263.381 3.002 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)c1O ZINC000848916865 636690341 /nfs/dbraw/zinc/69/03/41/636690341.db2.gz YAFODCIFAXYZBT-BRWVUGGUSA-N 1 0 289.419 3.080 20 10 CGCDRO C[C@@H]1CC[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)C[C@@H]1C ZINC000085055161 636770578 /nfs/dbraw/zinc/77/05/78/636770578.db2.gz KGLDMCHMVVBBRS-MDZLAQPJSA-N 1 0 277.364 3.035 20 10 CGCDRO COC[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000131971236 636771083 /nfs/dbraw/zinc/77/10/83/636771083.db2.gz JWYBKHXOWJHQJI-HUUCEWRRSA-N 1 0 276.424 3.362 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](CC)C2)c1O ZINC000132255766 636797860 /nfs/dbraw/zinc/79/78/60/636797860.db2.gz HDXBSQXTONUQMO-CYBMUJFWSA-N 1 0 263.381 3.413 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCCSC1)c1ccc(N(C)C)cc1 ZINC000132437140 636808521 /nfs/dbraw/zinc/80/85/21/636808521.db2.gz WHETWAXSCUOATK-GXTWGEPZSA-N 1 0 264.438 3.299 20 10 CGCDRO C[C@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccccn1 ZINC000850343679 637022085 /nfs/dbraw/zinc/02/20/85/637022085.db2.gz YMPJTQAZPJCTDJ-CYBMUJFWSA-N 1 0 287.382 3.180 20 10 CGCDRO C[C@@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccccn1 ZINC000850343683 637022175 /nfs/dbraw/zinc/02/21/75/637022175.db2.gz YMPJTQAZPJCTDJ-ZDUSSCGKSA-N 1 0 287.382 3.180 20 10 CGCDRO COCC1([NH2+]Cc2cc(Cl)ccc2O)CCCC1 ZINC000850344961 637022210 /nfs/dbraw/zinc/02/22/10/637022210.db2.gz DFCFOKNCNZUYBI-UHFFFAOYSA-N 1 0 269.772 3.094 20 10 CGCDRO COc1ccc(N2CC[C@@H]([NH2+]C3CCCCC3)C2)cc1 ZINC000850345589 637022246 /nfs/dbraw/zinc/02/22/46/637022246.db2.gz FQLSUFOQXPXGQW-OAHLLOKOSA-N 1 0 274.408 3.196 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[C@@H](C)C3)C2)cc1 ZINC000850347775 637022723 /nfs/dbraw/zinc/02/27/23/637022723.db2.gz XEPKWUGSZJDUCG-KFWWJZLASA-N 1 0 274.408 3.052 20 10 CGCDRO Cc1ccncc1CC[NH2+]Cc1c(O)cccc1Cl ZINC000850355582 637024798 /nfs/dbraw/zinc/02/47/98/637024798.db2.gz JPKCOAOCHOBZGV-UHFFFAOYSA-N 1 0 276.767 3.081 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H]2C[C@H](O)c3ccccc32)cc1C ZINC000850372754 637036018 /nfs/dbraw/zinc/03/60/18/637036018.db2.gz YJCFOWAVXVAJPE-WMZOPIPTSA-N 1 0 283.371 3.277 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CC[C@@]2(C)CC2(F)F)cc1F ZINC000850380892 637040545 /nfs/dbraw/zinc/04/05/45/637040545.db2.gz PSKAXZWIAMSTRM-AWEZNQCLSA-N 1 0 286.341 3.417 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]CC[C@@]2(C)CC2(F)F)c1 ZINC000850380843 637040749 /nfs/dbraw/zinc/04/07/49/637040749.db2.gz OKTVJWYBLVJPNL-AWEZNQCLSA-N 1 0 285.334 3.316 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@H]2CCOC2(C)C)cc1 ZINC000850409168 637052001 /nfs/dbraw/zinc/05/20/01/637052001.db2.gz MQWSEKKKAHGKFY-OGZRUICASA-N 1 0 288.435 3.171 20 10 CGCDRO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](C(C)C)C2)c1O ZINC000134981179 637060642 /nfs/dbraw/zinc/06/06/42/637060642.db2.gz NIFMIFGHMITVDA-GFCCVEGCSA-N 1 0 279.355 3.212 20 10 CGCDRO C[C@@H]([NH2+][C@H]1COC(C)(C)C1)c1cc2c(cc1O)CCCC2 ZINC000850481406 637085716 /nfs/dbraw/zinc/08/57/16/637085716.db2.gz GUUXTCMFOLZHQX-IUODEOHRSA-N 1 0 289.419 3.489 20 10 CGCDRO CC[C@H]([NH2+][C@H](CO)C1CCC1)c1cc(Cl)ccc1O ZINC000850487322 637087758 /nfs/dbraw/zinc/08/77/58/637087758.db2.gz HNEYJWJCDZYYLG-UONOGXRCSA-N 1 0 283.799 3.247 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](CO)C2CCC2)c1O ZINC000850487974 637087806 /nfs/dbraw/zinc/08/78/06/637087806.db2.gz KLAXUWGIPHIVCO-IINYFYTJSA-N 1 0 283.799 3.166 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+][C@H]3CC[C@H]3C3CC3)C2)cc1 ZINC000850488838 637089011 /nfs/dbraw/zinc/08/90/11/637089011.db2.gz USHLPUDJJKNOLW-WBAXXEDZSA-N 1 0 286.419 3.052 20 10 CGCDRO CCO[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc(C)c(C)c2O)C1 ZINC000850514481 637099294 /nfs/dbraw/zinc/09/92/94/637099294.db2.gz MYSYGDQUDMLIOW-IHRRRGAJSA-N 1 0 263.381 3.227 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+][C@H]2COC3(CCC3)C2)c(O)c1 ZINC000850523878 637103357 /nfs/dbraw/zinc/10/33/57/637103357.db2.gz QLMRZUNKERHDAS-ZIAGYGMSSA-N 1 0 275.392 3.371 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+][C@@H]1C[C@@H](O)c3ccccc31)CC2 ZINC000850527487 637106776 /nfs/dbraw/zinc/10/67/76/637106776.db2.gz XXADTCGHMDQIBQ-BFYDXBDKSA-N 1 0 281.355 3.148 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]Cc2c(C3CC3)cnn2C)c(O)c1 ZINC000850534269 637111449 /nfs/dbraw/zinc/11/14/49/637111449.db2.gz IHLUJDIUBQCWQY-LBPRGKRZSA-N 1 0 285.391 3.162 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@H]2CCc3ccc(O)cc32)c1O ZINC000850542843 637114628 /nfs/dbraw/zinc/11/46/28/637114628.db2.gz USBZUWRCPPOKHD-ZBEGNZNMSA-N 1 0 299.370 3.445 20 10 CGCDRO C[C@H](CN1CCC(C)CC1)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000850544040 637115860 /nfs/dbraw/zinc/11/58/60/637115860.db2.gz STZXGBYMAOZLKQ-ZBFHGGJFSA-N 1 0 288.435 3.090 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCOC2(C)C)c(O)c1C ZINC000850571752 637128974 /nfs/dbraw/zinc/12/89/74/637128974.db2.gz VULYOZUORGPTRK-KBPBESRZSA-N 1 0 277.408 3.475 20 10 CGCDRO C[C@H](O)[C@@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1ccccc1 ZINC000850583938 637133288 /nfs/dbraw/zinc/13/32/88/637133288.db2.gz OORWMIWPAZOKTM-WBHUJUFNSA-N 1 0 283.371 3.091 20 10 CGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@H]1C[C@]12CCOC2 ZINC000886027863 637373863 /nfs/dbraw/zinc/37/38/63/637373863.db2.gz JPUAWOFVMSXKCQ-WBVHZDCISA-N 1 0 275.392 3.031 20 10 CGCDRO C[N@H+](CCOC1CCCCC1)Cc1ccccc1O ZINC000886065060 637397304 /nfs/dbraw/zinc/39/73/04/637397304.db2.gz OPJMIJKXPCSNAR-UHFFFAOYSA-N 1 0 263.381 3.173 20 10 CGCDRO CC(C)[N@H+](CCOC(F)F)Cc1ccc(N(C)C)cc1 ZINC000851732859 637482745 /nfs/dbraw/zinc/48/27/45/637482745.db2.gz ZEEWHFJYXOEOAE-UHFFFAOYSA-N 1 0 286.366 3.202 20 10 CGCDRO C[C@H]([NH2+]CC1CC=CC1)c1ccc(N2CCOCC2)cc1 ZINC000851898293 637535743 /nfs/dbraw/zinc/53/57/43/637535743.db2.gz UYNMXIZTCGIFDZ-HNNXBMFYSA-N 1 0 286.419 3.140 20 10 CGCDRO COc1ccc(C[NH2+][C@H](c2cnn(C)c2)C(C)C)cc1C ZINC000886521292 637550536 /nfs/dbraw/zinc/55/05/36/637550536.db2.gz YCMVPDJKNFXHHK-KRWDZBQOSA-N 1 0 287.407 3.224 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]C[C@@H]1CCC3(CCC3)CO1)CC2 ZINC000886730604 637675324 /nfs/dbraw/zinc/67/53/24/637675324.db2.gz HPIQIMBCRNWZHZ-LSDHHAIUSA-N 1 0 287.403 3.318 20 10 CGCDRO Cc1cc(C[N@H+](C)CC2=CCSC2)ccc1N(C)C ZINC000852747568 637705039 /nfs/dbraw/zinc/70/50/39/637705039.db2.gz OGKHSCCYSNXKSX-UHFFFAOYSA-N 1 0 276.449 3.166 20 10 CGCDRO Cc1ccc(N(C)C(=O)c2cccc3c2CC[NH2+]C3)cc1C ZINC000852817842 637716896 /nfs/dbraw/zinc/71/68/96/637716896.db2.gz AGOOQIFCSAAARW-UHFFFAOYSA-N 1 0 294.398 3.226 20 10 CGCDRO CC[C@H]([NH2+]CCOCCF)c1cc(Cl)ccc1O ZINC000853238393 637790225 /nfs/dbraw/zinc/79/02/25/637790225.db2.gz HXOLEOZHVWOHQW-LBPRGKRZSA-N 1 0 275.751 3.072 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2C[C@H]3COC[C@@]3(C)C2)cc1C(C)C ZINC000853566099 637868033 /nfs/dbraw/zinc/86/80/33/637868033.db2.gz LSQCUVNGKBPIQK-MAUKXSAKSA-N 1 0 289.419 3.292 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2cnn(-c3ccccc3)c2)c1 ZINC000113319219 638185498 /nfs/dbraw/zinc/18/54/98/638185498.db2.gz JULSFGWJDRFOFN-UHFFFAOYSA-N 1 0 293.370 3.176 20 10 CGCDRO C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000924650532 638384300 /nfs/dbraw/zinc/38/43/00/638384300.db2.gz ZAMYQALEOHUIIG-HWWDLCQESA-N 1 0 288.435 3.047 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C2[C@@H](C)COC[C@@H]2C)cc1 ZINC000924707822 638391934 /nfs/dbraw/zinc/39/19/34/638391934.db2.gz ATGOWYMYPJNPRW-GJZGRUSLSA-N 1 0 290.451 3.293 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CC[C@@H]2CC2(Cl)Cl)cc1 ZINC000856807998 638394056 /nfs/dbraw/zinc/39/40/56/638394056.db2.gz UKXVVSLIDDLPQD-GFCCVEGCSA-N 1 0 287.234 3.426 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CC[C@H]1CC1(F)F ZINC000857059281 638446643 /nfs/dbraw/zinc/44/66/43/638446643.db2.gz LBLXOZRNMZYEFK-ZDUSSCGKSA-N 1 0 268.351 3.196 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cccc2c1OCO2 ZINC000115629187 638569367 /nfs/dbraw/zinc/56/93/67/638569367.db2.gz RCFPCTJJPLRWAT-UHFFFAOYSA-N 1 0 298.386 3.080 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccccc1F ZINC000115629338 638569744 /nfs/dbraw/zinc/56/97/44/638569744.db2.gz UUYKRCQDRZXGKN-UHFFFAOYSA-N 1 0 272.367 3.490 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2ccc(N(C)C)cc2C)o1 ZINC000115629590 638569914 /nfs/dbraw/zinc/56/99/14/638569914.db2.gz ZPUJWYWVEFTHOE-UHFFFAOYSA-N 1 0 258.365 3.252 20 10 CGCDRO CN(C)c1cc(F)c(C[NH2+]Cc2ccccc2)cc1F ZINC000858087111 638623687 /nfs/dbraw/zinc/62/36/87/638623687.db2.gz TXHURRORMDBCEV-UHFFFAOYSA-N 1 0 276.330 3.321 20 10 CGCDRO CCC[C@H](C[NH2+]Cc1ccc(OCC)cc1O)OCC ZINC000858210189 638658017 /nfs/dbraw/zinc/65/80/17/638658017.db2.gz IHHNDGGTUBFUTG-OAHLLOKOSA-N 1 0 281.396 3.086 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2scnc2C2CC2)c1 ZINC000858239566 638661916 /nfs/dbraw/zinc/66/19/16/638661916.db2.gz PNNDRTCQILHAAJ-UHFFFAOYSA-N 1 0 274.389 3.324 20 10 CGCDRO CCCN(CCC)c1ccc(C[NH2+]C[C@H]2C[C@@H](O)C2)cc1 ZINC000858295667 638674549 /nfs/dbraw/zinc/67/45/49/638674549.db2.gz DSCHXNFKCDBOLP-MAEOIBBWSA-N 1 0 290.451 3.174 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H](C)c2ccns2)cc1C ZINC000858316937 638679081 /nfs/dbraw/zinc/67/90/81/638679081.db2.gz OMIRIQPHDYIGSK-LLVKDONJSA-N 1 0 262.378 3.316 20 10 CGCDRO CC(C)CC[C@H](CO)[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000858485505 638737603 /nfs/dbraw/zinc/73/76/03/638737603.db2.gz NUEUHGDKAAENRP-SCRDCRAPSA-N 1 0 295.398 3.466 20 10 CGCDRO CC(C)CC[C@@H](CO)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000858486580 638739142 /nfs/dbraw/zinc/73/91/42/638739142.db2.gz WEHVBACJZQWUBE-HOCLYGCPSA-N 1 0 278.440 3.200 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cc(F)cc(F)c1[O-] ZINC000858490525 638740652 /nfs/dbraw/zinc/74/06/52/638740652.db2.gz JTMHVVYMYBLHBN-VXGBXAGGSA-N 1 0 298.377 3.053 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H](C)c1ncco1 ZINC000926594425 638789254 /nfs/dbraw/zinc/78/92/54/638789254.db2.gz BPTARJZFFRYIPC-KBPBESRZSA-N 1 0 287.407 3.331 20 10 CGCDRO COC(=O)[C@@H]1CCCC[C@@H]1C[NH2+][C@@H](C)c1ccccc1O ZINC000931555217 639170140 /nfs/dbraw/zinc/17/01/40/639170140.db2.gz VGHVPAZMWAPIJR-GZBFAFLISA-N 1 0 291.391 3.022 20 10 CGCDRO C[C@@H]1CSCCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000934299910 639576092 /nfs/dbraw/zinc/57/60/92/639576092.db2.gz XXPSWCMQSKRCRZ-CYBMUJFWSA-N 1 0 264.438 3.080 20 10 CGCDRO CCO[C@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000155457425 639935531 /nfs/dbraw/zinc/93/55/31/639935531.db2.gz BPGDDMIEHROCIR-NSHDSACASA-N 1 0 269.772 3.047 20 10 CGCDRO CCO[C@@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000155457314 639935844 /nfs/dbraw/zinc/93/58/44/639935844.db2.gz BPGDDMIEHROCIR-LLVKDONJSA-N 1 0 269.772 3.047 20 10 CGCDRO CCCC[N@H+](CC)Cc1cc(OC)c(C)cc1O ZINC000159751143 640067428 /nfs/dbraw/zinc/06/74/28/640067428.db2.gz IHRRLLCVNDADEB-UHFFFAOYSA-N 1 0 251.370 3.331 20 10 CGCDRO CC(C)Oc1ncccc1C[NH2+][C@@H](C)c1ccccc1O ZINC000048760425 640069470 /nfs/dbraw/zinc/06/94/70/640069470.db2.gz UEENFWFXHFQDPT-ZDUSSCGKSA-N 1 0 286.375 3.425 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(Br)o2)c1 ZINC000189505667 640196316 /nfs/dbraw/zinc/19/63/16/640196316.db2.gz ZADWMNNARPWBNV-UHFFFAOYSA-N 1 0 296.164 3.346 20 10 CGCDRO Oc1cc2c(cc1C[NH2+]Cc1ccc(C3CC3)cc1)OCO2 ZINC000191680630 640327414 /nfs/dbraw/zinc/32/74/14/640327414.db2.gz SHEMRHIKQNOVCN-UHFFFAOYSA-N 1 0 297.354 3.288 20 10 CGCDRO CC[C@H](COC)[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC000079736441 640425861 /nfs/dbraw/zinc/42/58/61/640425861.db2.gz ICLDPMRGSUEZAZ-OAHLLOKOSA-N 1 0 264.413 3.047 20 10 CGCDRO CCOc1ccc(C[NH2+]Cc2ccccc2O)cc1 ZINC000083422123 640596869 /nfs/dbraw/zinc/59/68/69/640596869.db2.gz UQEUKQSXTSMKGV-UHFFFAOYSA-N 1 0 257.333 3.081 20 10 CGCDRO C[C@@H](CN1CCCCC1)[NH2+]Cc1c(O)cccc1Cl ZINC000083551838 640597119 /nfs/dbraw/zinc/59/71/19/640597119.db2.gz VQWQRKYQENTLRN-LBPRGKRZSA-N 1 0 282.815 3.010 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000083551686 640597685 /nfs/dbraw/zinc/59/76/85/640597685.db2.gz ZSXFKCNYUIJRRC-GFCCVEGCSA-N 1 0 289.762 3.139 20 10 CGCDRO COc1cc(C[N@@H+]2CCS[C@H](C)[C@H]2C)c(O)cc1C ZINC000245542146 640625302 /nfs/dbraw/zinc/62/53/02/640625302.db2.gz PLFVIFAKGXEPJP-VXGBXAGGSA-N 1 0 281.421 3.035 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCc3cccnc32)cc1 ZINC000091660395 640718231 /nfs/dbraw/zinc/71/82/31/640718231.db2.gz MGCAGRHAPPDNPK-QGZVFWFLSA-N 1 0 281.403 3.315 20 10 CGCDRO CC[C@H]1COCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000091980250 640727882 /nfs/dbraw/zinc/72/78/82/640727882.db2.gz MNBLMTDWGXIHJV-KRWDZBQOSA-N 1 0 288.435 3.288 20 10 CGCDRO CCOc1cccc(C[NH+]2C[C@@H](C)S[C@H](C)C2)c1O ZINC000092540702 640738816 /nfs/dbraw/zinc/73/88/16/640738816.db2.gz GEDNQJNFILWEHG-VXGBXAGGSA-N 1 0 281.421 3.117 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2C[C@H](C)[C@@H]3CCCC[C@H]32)c1 ZINC000248376085 640754399 /nfs/dbraw/zinc/75/43/99/640754399.db2.gz ZDTOCLVRQXSXHO-VBNZEHGJSA-N 1 0 275.392 3.411 20 10 CGCDRO CCC[N@@H+](Cc1cccc(OC)c1O)C[C@H]1CCCCO1 ZINC000093132450 640758280 /nfs/dbraw/zinc/75/82/80/640758280.db2.gz PCHRVTOBQPYWGK-OAHLLOKOSA-N 1 0 293.407 3.182 20 10 CGCDRO CCOc1cccc(C[N@H+](CC)Cc2ccccn2)c1O ZINC000093338765 640768257 /nfs/dbraw/zinc/76/82/57/640768257.db2.gz NPWKRMGJZDCXLJ-UHFFFAOYSA-N 1 0 286.375 3.208 20 10 CGCDRO C[C@@H]1OCC[N@H+](Cc2ccc(N3CCCCC3)cc2)[C@H]1C ZINC000093417769 640770827 /nfs/dbraw/zinc/77/08/27/640770827.db2.gz ZFRLHTRQCZRKNS-HOTGVXAUSA-N 1 0 288.435 3.286 20 10 CGCDRO COc1cccc(C[N@@H+]2C[C@H](C)CCC[C@@H]2C)c1O ZINC000093509255 640773965 /nfs/dbraw/zinc/77/39/65/640773965.db2.gz POTODADVWBDOCS-OLZOCXBDSA-N 1 0 263.381 3.411 20 10 CGCDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cccc(OC)c2O)C1(C)C ZINC000093605313 640776581 /nfs/dbraw/zinc/77/65/81/640776581.db2.gz WKSMNGWKOIUBRE-HUUCEWRRSA-N 1 0 293.407 3.036 20 10 CGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H]1CC[C@@H](C)O1 ZINC000248867952 640783903 /nfs/dbraw/zinc/78/39/03/640783903.db2.gz CIAVHKPQWHLXQF-HIFRSBDPSA-N 1 0 263.381 3.172 20 10 CGCDRO Cc1cc(F)ccc1[C@@H](O)C[N@@H+](C)Cc1ccccc1O ZINC000304478537 640863843 /nfs/dbraw/zinc/86/38/43/640863843.db2.gz AHAIILSIGUUHDU-KRWDZBQOSA-N 1 0 289.350 3.005 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]C[C@H](O)c1ccccc1F ZINC000113326131 640974628 /nfs/dbraw/zinc/97/46/28/640974628.db2.gz INXVWIUXURZTFY-HNNXBMFYSA-N 1 0 295.741 3.008 20 10 CGCDRO Nc1ccc(CCc2ccc(NC3=CC[NH2+]CC3)cc2)cc1 ZINC001159551442 806120368 /nfs/dbraw/zinc/12/03/68/806120368.db2.gz BXUXYFOKWFENCZ-UHFFFAOYSA-N 1 0 293.414 3.343 20 10 CGCDRO CCC[C@H](O)C[NH2+][C@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001252809919 806125534 /nfs/dbraw/zinc/12/55/34/806125534.db2.gz UNWRQYAXGLRTJV-GUYCJALGSA-N 1 0 291.435 3.383 20 10 CGCDRO Nc1ccc(Nc2cccc(O[C@H]3CCC[NH2+]C3)c2)cc1 ZINC001160211711 806236645 /nfs/dbraw/zinc/23/66/45/806236645.db2.gz KMUZAIRGDFYLBM-KRWDZBQOSA-N 1 0 283.375 3.143 20 10 CGCDRO Cc1cc(C)cc(C(=O)c2ccccc2NC2=CC[NH2+]C2)c1 ZINC001160361472 806259458 /nfs/dbraw/zinc/25/94/58/806259458.db2.gz WTZGUBSZAMYBPS-UHFFFAOYSA-N 1 0 292.382 3.433 20 10 CGCDRO Cc1cccc(CNc2cc3[nH]ccc3c[nH+]2)c1O ZINC001160764386 806300333 /nfs/dbraw/zinc/30/03/33/806300333.db2.gz GJLUHHXSHGDRFP-UHFFFAOYSA-N 1 0 253.305 3.189 20 10 CGCDRO Oc1cccc(C[NH2+]C2CCc3ccccc3CC2)c1O ZINC001254455108 806406159 /nfs/dbraw/zinc/40/61/59/806406159.db2.gz WUSOQTRSABKEBR-UHFFFAOYSA-N 1 0 283.371 3.135 20 10 CGCDRO C[C@@H]1CCC[C@H]([N@H+](C)Cc2cc3c(cc2O)OCO3)C1 ZINC000025484194 798839150 /nfs/dbraw/zinc/83/91/50/798839150.db2.gz NMSKSZNXZGPKBV-YPMHNXCESA-N 1 0 277.364 3.131 20 10 CGCDRO Fc1cccc(CC[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000037363082 798866517 /nfs/dbraw/zinc/86/65/17/798866517.db2.gz VWYNDECWVOVXKQ-UHFFFAOYSA-N 1 0 271.335 3.093 20 10 CGCDRO COCc1ccccc1C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000037500085 798867910 /nfs/dbraw/zinc/86/79/10/798867910.db2.gz QBLJQDQNCVZWTI-UHFFFAOYSA-N 1 0 284.403 3.189 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2Cc3ccccc3O2)c1 ZINC000038009613 798883359 /nfs/dbraw/zinc/88/33/59/798883359.db2.gz OWSSSLRRPGEQBH-DZGCQCFKSA-N 1 0 283.371 3.355 20 10 CGCDRO C[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000092762397 798959090 /nfs/dbraw/zinc/95/90/90/798959090.db2.gz MXMMBFKBLDODAJ-JKSUJKDBSA-N 1 0 288.435 3.144 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CCC(F)F)cc1 ZINC000311009263 799223456 /nfs/dbraw/zinc/22/34/56/799223456.db2.gz WYVJQTPIYPYVKP-UHFFFAOYSA-N 1 0 256.340 3.278 20 10 CGCDRO COCC(C)(C)C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000314766508 799234371 /nfs/dbraw/zinc/23/43/71/799234371.db2.gz KQDVFHNFSYOZSZ-UHFFFAOYSA-N 1 0 290.451 3.439 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)C1CCCC1 ZINC000382778752 799397039 /nfs/dbraw/zinc/39/70/39/799397039.db2.gz QKPCVTUXRSVACT-CYBMUJFWSA-N 1 0 277.364 3.179 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCS[C@H]1C)c1ccccc1O ZINC000383954356 799410424 /nfs/dbraw/zinc/41/04/24/799410424.db2.gz GZKSWHJFVIANLQ-DRZSPHRISA-N 1 0 251.395 3.327 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](CO)C2CCCCC2)c1 ZINC000386257080 799433896 /nfs/dbraw/zinc/43/38/96/799433896.db2.gz LZYBYBIBSYHSBB-BBRMVZONSA-N 1 0 277.408 3.292 20 10 CGCDRO CC1(C)CCC[C@H]1C[NH2+]Cc1cc(F)ccc1O ZINC000388841904 799456955 /nfs/dbraw/zinc/45/69/55/799456955.db2.gz HNYMIGHCPGQHEA-LBPRGKRZSA-N 1 0 251.345 3.447 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCCOC2)c(O)c1 ZINC000388996691 799458586 /nfs/dbraw/zinc/45/85/86/799458586.db2.gz QAEVZVQOQXONMS-MELADBBJSA-N 1 0 263.381 3.166 20 10 CGCDRO C[C@@H]([NH2+]CCN1CC=CCC1)c1ccc2ccccc2c1O ZINC000392290764 799481147 /nfs/dbraw/zinc/48/11/47/799481147.db2.gz KMJPICFLEDGQDW-OAHLLOKOSA-N 1 0 296.414 3.458 20 10 CGCDRO CC(C)OCC(C)(C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000396358653 799508723 /nfs/dbraw/zinc/50/87/23/799508723.db2.gz YCJGDZHRCAUYFU-UHFFFAOYSA-N 1 0 264.413 3.046 20 10 CGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]CCC1(O)CCC1 ZINC000397825057 799521231 /nfs/dbraw/zinc/52/12/31/799521231.db2.gz ISSWEMSQODWTRD-QWHCGFSZSA-N 1 0 275.392 3.144 20 10 CGCDRO C[C@@H]([NH2+]C[C@]1(C)CC1(F)F)c1cc(F)ccc1O ZINC000689225448 799762565 /nfs/dbraw/zinc/76/25/65/799762565.db2.gz QLYKVWMIKRAYNO-PELKAZGASA-N 1 0 259.271 3.227 20 10 CGCDRO Cc1ccc(CC[NH2+][C@@H](C)c2cc(F)ccc2O)nc1 ZINC000689395914 799763728 /nfs/dbraw/zinc/76/37/28/799763728.db2.gz ZZGPESXQCQBEOZ-LBPRGKRZSA-N 1 0 274.339 3.128 20 10 CGCDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@H](CCF)C1 ZINC000689884693 799770657 /nfs/dbraw/zinc/77/06/57/799770657.db2.gz XABZGEZVBNHSMX-LLVKDONJSA-N 1 0 255.308 3.103 20 10 CGCDRO CCc1cccc(C[NH2+]CCc2cccs2)c1O ZINC000691491133 799785614 /nfs/dbraw/zinc/78/56/14/799785614.db2.gz CGTYHNSLMXVJKW-UHFFFAOYSA-N 1 0 261.390 3.348 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(C(C)(C)C)C2)c(O)c1 ZINC000693893528 799818465 /nfs/dbraw/zinc/81/84/65/799818465.db2.gz WYTPIELBBDWGOK-ZIAGYGMSSA-N 1 0 276.424 3.224 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H]2CCCC(F)(F)C2)c1O ZINC000695065806 799825616 /nfs/dbraw/zinc/82/56/16/799825616.db2.gz MDRVCMSTQDYSBP-GFCCVEGCSA-N 1 0 255.308 3.368 20 10 CGCDRO COCc1csc(C[NH2+]Cc2ccc(N(C)C)cc2)c1 ZINC000695542139 799829575 /nfs/dbraw/zinc/82/95/75/799829575.db2.gz CVZPFIABQVETEX-UHFFFAOYSA-N 1 0 290.432 3.250 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCC(C)(C)F)c1 ZINC000698339681 799854892 /nfs/dbraw/zinc/85/48/92/799854892.db2.gz HHFXJSZCSBULDD-SNVBAGLBSA-N 1 0 255.333 3.190 20 10 CGCDRO C[C@@H]([NH2+]CCSCC(F)(F)F)c1cc(F)ccc1O ZINC000698953885 799857553 /nfs/dbraw/zinc/85/75/53/799857553.db2.gz USACQXIVIPGGDV-MRVPVSSYSA-N 1 0 297.317 3.477 20 10 CGCDRO CN(C)c1ccc(C[NH2+]Cc2ccncc2Cl)cc1 ZINC000704373638 799937691 /nfs/dbraw/zinc/93/76/91/799937691.db2.gz QLNPQWHLCCUXPH-UHFFFAOYSA-N 1 0 275.783 3.091 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]CC[C@H]1CCSC1)CC2 ZINC000704814529 799942486 /nfs/dbraw/zinc/94/24/86/799942486.db2.gz NCTQWVGSXRFKQS-WCQYABFASA-N 1 0 263.406 3.112 20 10 CGCDRO COc1cccc(C[NH+]2C3CCCC2CCC3)c1O ZINC000707156342 799973105 /nfs/dbraw/zinc/97/31/05/799973105.db2.gz ROKOBMMFCKFZMN-UHFFFAOYSA-N 1 0 261.365 3.308 20 10 CGCDRO COc1cccc(C[N@@H+]2CC[C@](C)(C(F)(F)F)C2)c1O ZINC000708615808 799991954 /nfs/dbraw/zinc/99/19/54/799991954.db2.gz ANCCGXBABROMSJ-ZDUSSCGKSA-N 1 0 289.297 3.175 20 10 CGCDRO Cc1cccc(C[NH2+]C[C@@H]2CC(C)(C)OC2(C)C)c1O ZINC000709665385 800013577 /nfs/dbraw/zinc/01/35/77/800013577.db2.gz QHPSEJHXUXWVOX-AWEZNQCLSA-N 1 0 277.408 3.384 20 10 CGCDRO CC1(C)CC[C@@H](C[NH2+][C@@H]2CCc3cccc(O)c32)OC1 ZINC000711339243 800052523 /nfs/dbraw/zinc/05/25/23/800052523.db2.gz JJRRPSURRMOOCP-UONOGXRCSA-N 1 0 275.392 3.174 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CC[C@H]2CCCS2)cc1 ZINC000715698601 800143285 /nfs/dbraw/zinc/14/32/85/800143285.db2.gz SPXVQMXQHYJUAX-OAHLLOKOSA-N 1 0 264.438 3.128 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](C)CC2(C)OCCO2)c1 ZINC000715998986 800158336 /nfs/dbraw/zinc/15/83/36/800158336.db2.gz OLZVGDFSAWUUFL-UONOGXRCSA-N 1 0 293.407 3.140 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]C[C@H]2CCC3(CCC3)CO2)c1 ZINC000716606376 800176091 /nfs/dbraw/zinc/17/60/91/800176091.db2.gz BSVNXTAMAIFSDU-OAHLLOKOSA-N 1 0 275.392 3.140 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2cnc(Cl)s2)c1 ZINC000718199719 800214063 /nfs/dbraw/zinc/21/40/63/800214063.db2.gz IJMBNBLPVQIQGO-UHFFFAOYSA-N 1 0 268.769 3.100 20 10 CGCDRO C[C@H]1CC[N@H+](Cc2c(O)ccc3ccccc32)CCO1 ZINC000720504645 800260539 /nfs/dbraw/zinc/26/05/39/800260539.db2.gz ZWAREGNZSGXBOK-ZDUSSCGKSA-N 1 0 271.360 3.156 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@H](C3CC3)O2)c(O)c1 ZINC000722335096 800315282 /nfs/dbraw/zinc/31/52/82/800315282.db2.gz WQGHTLFDDSXMDG-RVSPLBMKSA-N 1 0 275.392 3.309 20 10 CGCDRO C[C@H]([NH2+]CC[C@@H]1CCOC1)c1cc(Cl)ccc1O ZINC000757658690 800380865 /nfs/dbraw/zinc/38/08/65/800380865.db2.gz SLJSMBLFMDQATG-WDEREUQCSA-N 1 0 269.772 3.123 20 10 CGCDRO C[C@@H]([NH2+]CC[C@@H]1CCOC1)c1cc(Cl)ccc1O ZINC000757658639 800380880 /nfs/dbraw/zinc/38/08/80/800380880.db2.gz SLJSMBLFMDQATG-GHMZBOCLSA-N 1 0 269.772 3.123 20 10 CGCDRO CCOCc1cc(C[NH2+]C[C@]2(C)CC2(F)F)ccc1OC ZINC000850379674 800517853 /nfs/dbraw/zinc/51/78/53/800517853.db2.gz VIPUADIUJNVFGY-HNNXBMFYSA-N 1 0 299.361 3.367 20 10 CGCDRO CCC(C)(C)[C@H](C)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000895331146 800581661 /nfs/dbraw/zinc/58/16/61/800581661.db2.gz VXUDJIUOHMGDRQ-NSHDSACASA-N 1 0 281.396 3.324 20 10 CGCDRO Cc1cc(O)c(C[NH+]2CCC(C3(O)CC3)CC2)cc1Cl ZINC001118640579 802592022 /nfs/dbraw/zinc/59/20/22/802592022.db2.gz KNQUSLFSDBUFST-UHFFFAOYSA-N 1 0 295.810 3.091 20 10 CGCDRO Oc1ccc2ccccc2c1C[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC001119394616 802659029 /nfs/dbraw/zinc/65/90/29/802659029.db2.gz YJMSMHDVRKNFIP-OKILXGFUSA-N 1 0 285.412 3.340 20 10 CGCDRO COc1cc(C)cc(C[NH2+]CCCOC(C)(C)C)c1O ZINC001119449812 802667792 /nfs/dbraw/zinc/66/77/92/802667792.db2.gz HFDUBLWJUCGWFN-UHFFFAOYSA-N 1 0 281.396 3.004 20 10 CGCDRO Nc1ccc(C[NH+]2CCC(Cc3cccnc3)CC2)cc1 ZINC001120268978 802737396 /nfs/dbraw/zinc/73/73/96/802737396.db2.gz LHRXOGRFCJIRRC-UHFFFAOYSA-N 1 0 281.403 3.119 20 10 CGCDRO Cc1ccc(C2CC[NH+](Cc3ccc(N)cc3)CC2)cn1 ZINC001120268194 802737602 /nfs/dbraw/zinc/73/76/02/802737602.db2.gz BRHUKFFSAXNIMT-UHFFFAOYSA-N 1 0 281.403 3.352 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCCN(C2CCCC2)C1)c1ccccc1O ZINC001256901449 807002138 /nfs/dbraw/zinc/00/21/38/807002138.db2.gz HLBJCTDFHNSWDX-HUUCEWRRSA-N 1 0 288.435 3.450 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CCCCC23CC3)c1O ZINC001203613618 812406445 /nfs/dbraw/zinc/40/64/45/812406445.db2.gz BUNOPYDOXPUGDK-UHFFFAOYSA-N 1 0 261.365 3.309 20 10 CGCDRO C[C@H](C[N@H+](C)Cc1ccc(N(C)C)cc1)C(F)(F)F ZINC001208892549 813885238 /nfs/dbraw/zinc/88/52/38/813885238.db2.gz SBQUJDUQXCFEED-LLVKDONJSA-N 1 0 274.330 3.383 20 10 CGCDRO Cc1c(C[N@@H+]2CC[C@@]3(CCCO3)C2)c2ccccc2n1C ZINC001138252577 803879884 /nfs/dbraw/zinc/87/98/84/803879884.db2.gz MIMZSHPZSCJRHD-SFHVURJKSA-N 1 0 284.403 3.242 20 10 CGCDRO CCO[C@H]1CCC[N@H+](Cc2c(C)n(C)c3ccccc32)C1 ZINC001138256797 803882362 /nfs/dbraw/zinc/88/23/62/803882362.db2.gz LCTWCCQFZQQAJE-HNNXBMFYSA-N 1 0 286.419 3.488 20 10 CGCDRO CC[N@H+](Cc1ccccc1O)Cc1cccc2nccnc12 ZINC001138306212 803891597 /nfs/dbraw/zinc/89/15/97/803891597.db2.gz JERBGIPCOLRVGR-UHFFFAOYSA-N 1 0 293.370 3.358 20 10 CGCDRO CN1CCCc2cc(C[N@@H+]3CCCC[C@H](F)C3)ccc21 ZINC001138354366 803900449 /nfs/dbraw/zinc/90/04/49/803900449.db2.gz HCSWSBRCFDGMHR-INIZCTEOSA-N 1 0 276.399 3.393 20 10 CGCDRO CN1CCCc2cc(C[N@@H+]3CCC4(CC4)C3)ccc21 ZINC001138354802 803901304 /nfs/dbraw/zinc/90/13/04/803901304.db2.gz VKVYLUYTJZSHGQ-UHFFFAOYSA-N 1 0 256.393 3.055 20 10 CGCDRO CN1CCCc2cc(C[NH+]3CCC(CF)CC3)ccc21 ZINC001138358777 803902138 /nfs/dbraw/zinc/90/21/38/803902138.db2.gz ZNZOXWAHYVJGMX-UHFFFAOYSA-N 1 0 276.399 3.251 20 10 CGCDRO CCN(CC)c1ccc(CN2C[C@H](F)C[C@H]2C)c(OC)c1 ZINC001138386161 803913508 /nfs/dbraw/zinc/91/35/08/803913508.db2.gz IDJDHKQFXYFBPR-UKRRQHHQSA-N 1 0 294.414 3.474 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)Cc2cnc3[nH]ccc3c2)cc1 ZINC001138740475 804026848 /nfs/dbraw/zinc/02/68/48/804026848.db2.gz YAENBKBPLOYUSI-UHFFFAOYSA-N 1 0 294.402 3.261 20 10 CGCDRO CCC(CC)[N@H+](C)Cc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001139130950 804134564 /nfs/dbraw/zinc/13/45/64/804134564.db2.gz KTZRGCAVBZBJNR-UHFFFAOYSA-N 1 0 289.375 3.427 20 10 CGCDRO Oc1cccc2c1C[N@H+](Cc1cncc3ccccc31)CC2 ZINC001139896498 804321613 /nfs/dbraw/zinc/32/16/13/804321613.db2.gz BBLCJWQXPOYIIQ-UHFFFAOYSA-N 1 0 290.366 3.499 20 10 CGCDRO C[N@H+](CC/C=C/c1cccnc1)Cc1cc(F)ccc1O ZINC001140058472 804365870 /nfs/dbraw/zinc/36/58/70/804365870.db2.gz BPDACBUNWWOLNP-GORDUTHDSA-N 1 0 286.350 3.462 20 10 CGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cccc(F)n1 ZINC001140135821 804384903 /nfs/dbraw/zinc/38/49/03/804384903.db2.gz UNLAFWWBDZIRBY-UHFFFAOYSA-N 1 0 287.382 3.309 20 10 CGCDRO Cc1ccc(C)c(C[N@@H+]2CCC[C@@H]2CN2CCCC2)c1O ZINC001140182570 804395794 /nfs/dbraw/zinc/39/57/94/804395794.db2.gz VRHCWHXNBIVLBP-MRXNPFEDSA-N 1 0 288.435 3.069 20 10 CGCDRO Cc1ccc(C)c(C[N@@H+]2CCn3cccc3[C@H]2C)c1O ZINC001140183768 804395872 /nfs/dbraw/zinc/39/58/72/804395872.db2.gz IPFHGDCJVGCOPC-CQSZACIVSA-N 1 0 270.376 3.387 20 10 CGCDRO CCOCC1CC[NH+](Cc2c(C)ccc(C)c2O)CC1 ZINC001140184019 804396018 /nfs/dbraw/zinc/39/60/18/804396018.db2.gz KAGWZIFUGUEAEO-UHFFFAOYSA-N 1 0 277.408 3.258 20 10 CGCDRO Cc1ccc(C)c(C[NH+]2CCC3(C[C@H](F)CO3)CC2)c1O ZINC001140184073 804396620 /nfs/dbraw/zinc/39/66/20/804396620.db2.gz LWHDWJQBTZXBST-AWEZNQCLSA-N 1 0 293.382 3.102 20 10 CGCDRO COC[C@@]12CCC[C@@H]1C[N@H+](Cc1c(C)ccc(C)c1O)C2 ZINC001140180916 804396686 /nfs/dbraw/zinc/39/66/86/804396686.db2.gz OHIDBQAHXBYUEV-QAPCUYQASA-N 1 0 289.419 3.258 20 10 CGCDRO OCC[C@H]1CC12CC[NH+](Cc1c(O)cccc1Cl)CC2 ZINC001140337907 804418767 /nfs/dbraw/zinc/41/87/67/804418767.db2.gz MGWPHOFKIAMEGK-LBPRGKRZSA-N 1 0 295.810 3.030 20 10 CGCDRO C[C@H]1C[N@H+](Cc2c(O)cccc2Cl)C2(CC2)C1 ZINC001140342194 804420883 /nfs/dbraw/zinc/42/08/83/804420883.db2.gz WVFQTYYOCWGGOL-SNVBAGLBSA-N 1 0 251.757 3.420 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccc3n[nH]cc3c2)cc1 ZINC001140389038 804428709 /nfs/dbraw/zinc/42/87/09/804428709.db2.gz JKCAVOWBBCNTEY-UHFFFAOYSA-N 1 0 294.402 3.261 20 10 CGCDRO C[C@@]1(F)CCN(Cc2ccc(Cl)cc2O)C[C@H]1F ZINC001140462519 804441078 /nfs/dbraw/zinc/44/10/78/804441078.db2.gz IBMHYWRAPUNXTJ-CHWSQXEVSA-N 1 0 275.726 3.318 20 10 CGCDRO Oc1cc(Cl)ccc1C[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC001140467282 804442661 /nfs/dbraw/zinc/44/26/61/804442661.db2.gz UFSZUAQJGXJWGB-GFCCVEGCSA-N 1 0 288.778 3.430 20 10 CGCDRO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(O)c(C)c2O)no1 ZINC001140742158 804502429 /nfs/dbraw/zinc/50/24/29/804502429.db2.gz JCHCNZNKAWXAHK-AWEZNQCLSA-N 1 0 288.347 3.040 20 10 CGCDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@@H]2c2ccccn2)c1O ZINC001140746066 804502504 /nfs/dbraw/zinc/50/25/04/804502504.db2.gz UHFVHPWBIFWUTG-OAHLLOKOSA-N 1 0 284.359 3.138 20 10 CGCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@H]3CCCC[C@H]3C2)c1O ZINC001140747387 804504048 /nfs/dbraw/zinc/50/40/48/804504048.db2.gz AZFIXTLZMKKHKM-KGLIPLIRSA-N 1 0 275.392 3.418 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)c(O)c1 ZINC001140850985 804533071 /nfs/dbraw/zinc/53/30/71/804533071.db2.gz XOUJSUZQYDYWTB-CWRNSKLLSA-N 1 0 292.398 3.028 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H]3C[C@H]32)c(Cl)c1 ZINC001140926676 804550958 /nfs/dbraw/zinc/55/09/58/804550958.db2.gz PPTVHUMJYWKGHC-XHDPSFHLSA-N 1 0 264.800 3.390 20 10 CGCDRO CC(=O)c1ccc2c(c1)C[N@@H+](Cc1ccc(C)cc1O)CC2 ZINC001140958024 804557617 /nfs/dbraw/zinc/55/76/17/804557617.db2.gz QALOWICHHIUNTC-UHFFFAOYSA-N 1 0 295.382 3.462 20 10 CGCDRO Cc1ccc(CN2Cc3ccc(F)cc3C2)c(O)c1 ZINC001140951047 804558707 /nfs/dbraw/zinc/55/87/07/804558707.db2.gz WBIRZMFOXZANFJ-UHFFFAOYSA-N 1 0 257.308 3.356 20 10 CGCDRO Cc1ccc(C[N@H+](C)C[C@@H]2Cc3ccccc3O2)c(O)c1 ZINC001140955478 804559041 /nfs/dbraw/zinc/55/90/41/804559041.db2.gz YXYXELOVKUCXBQ-INIZCTEOSA-N 1 0 283.371 3.136 20 10 CGCDRO Cc1ncoc1C[N@@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001141054352 804580054 /nfs/dbraw/zinc/58/00/54/804580054.db2.gz LJWOWUOGKFKQJO-UHFFFAOYSA-N 1 0 285.391 3.215 20 10 CGCDRO C[C@@H]1CCCC[N@H+](Cc2ccc3c(c2)OCCN3C)C1 ZINC001141141511 804597061 /nfs/dbraw/zinc/59/70/61/804597061.db2.gz ZIUCHGOUVUTKQA-CQSZACIVSA-N 1 0 274.408 3.137 20 10 CGCDRO Oc1ccc(O)c(C[N@@H+]2CCC[C@H](c3ccccc3)C2)c1 ZINC001141158668 804599530 /nfs/dbraw/zinc/59/95/30/804599530.db2.gz IXYIWPXMOSFJJU-HNNXBMFYSA-N 1 0 283.371 3.477 20 10 CGCDRO Oc1ccc(O)c(C[NH+]2CCC3(CC[C@@H](F)C3)CC2)c1 ZINC001141159270 804600265 /nfs/dbraw/zinc/60/02/65/804600265.db2.gz BRLZSMGPPBZQRG-CYBMUJFWSA-N 1 0 279.355 3.202 20 10 CGCDRO COc1ccc([C@H]2CC[N@H+](Cc3cc(O)ccc3O)C2)cc1 ZINC001141161727 804601455 /nfs/dbraw/zinc/60/14/55/804601455.db2.gz VPFTWOQPMRJGIM-AWEZNQCLSA-N 1 0 299.370 3.096 20 10 CGCDRO CC(C)(C)c1cccc(C[N@@H+]2CCC[C@H](CO)CC2)c1O ZINC001143104715 804801944 /nfs/dbraw/zinc/80/19/44/804801944.db2.gz YBYOKBWICINCJF-AWEZNQCLSA-N 1 0 291.435 3.284 20 10 CGCDRO CC(C)(C)c1cccc(C[N@@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)c1O ZINC001143103372 804801979 /nfs/dbraw/zinc/80/19/79/804801979.db2.gz AZUUGHTWLKLUCA-YDHLFZDLSA-N 1 0 277.383 3.480 20 10 CGCDRO CC(C)(C)c1cccc(C[N@@H+]2CCCC[C@@H](O)C2)c1O ZINC001143104235 804802294 /nfs/dbraw/zinc/80/22/94/804802294.db2.gz RJLBZLWFRDDMBP-CQSZACIVSA-N 1 0 277.408 3.037 20 10 CGCDRO CC(C)(C)c1cccc(C[N@@H+]2CCOCC2(C)C)c1O ZINC001143110919 804803531 /nfs/dbraw/zinc/80/35/31/804803531.db2.gz STMHIKCKSSXMKP-UHFFFAOYSA-N 1 0 277.408 3.301 20 10 CGCDRO CC[N@H+](Cc1nc(C)c(C)s1)Cc1ccccc1O ZINC001144378617 804979734 /nfs/dbraw/zinc/97/97/34/804979734.db2.gz UMEAVHVKBUDMJG-UHFFFAOYSA-N 1 0 276.405 3.488 20 10 CGCDRO Cc1ccccc1[C@H]1CCC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144504120 804997700 /nfs/dbraw/zinc/99/77/00/804997700.db2.gz MFCZFHPOTUGWBP-MRXNPFEDSA-N 1 0 299.370 3.449 20 10 CGCDRO CCCCC[C@@H](CC)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001258429688 807446763 /nfs/dbraw/zinc/44/67/63/807446763.db2.gz AQCAHDIBCGEJDN-CZUORRHYSA-N 1 0 281.396 3.080 20 10 CGCDRO [NH3+]Cc1ccnc(NCc2cc3ccccc3cc2O)c1 ZINC001171399114 808045204 /nfs/dbraw/zinc/04/52/04/808045204.db2.gz CUEFQXIKVNNSKD-UHFFFAOYSA-N 1 0 279.343 3.011 20 10 CGCDRO CC[C@H](C)OCC[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC001172345329 808244689 /nfs/dbraw/zinc/24/46/89/808244689.db2.gz WOKSCQMNWJUECR-CABCVRRESA-N 1 0 278.440 3.436 20 10 CGCDRO COC(=O)CCCC[C@H](C)[NH2+][C@H](C)c1ccccc1O ZINC001173440965 808635883 /nfs/dbraw/zinc/63/58/83/808635883.db2.gz KYJTWYFGKMAXLH-QWHCGFSZSA-N 1 0 279.380 3.165 20 10 CGCDRO C[N@@H+]1CCC=C(N(c2ccc(N)cc2)c2ccc(N)cc2)C1 ZINC001175577499 809457422 /nfs/dbraw/zinc/45/74/22/809457422.db2.gz ALRLNTHZEUTOIT-UHFFFAOYSA-N 1 0 294.402 3.209 20 10 CGCDRO Oc1cc(Cl)ccc1C[N@@H+]1CCOCC2(CCCC2)C1 ZINC001180995585 810032063 /nfs/dbraw/zinc/03/20/63/810032063.db2.gz MEDIPAKIUGQZIB-UHFFFAOYSA-N 1 0 295.810 3.438 20 10 CGCDRO CO[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2O)C12CCC2 ZINC001182249714 810100130 /nfs/dbraw/zinc/10/01/30/810100130.db2.gz GFCWBHXYCFTQBX-ZIAGYGMSSA-N 1 0 281.783 3.093 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@@H](C)[C@@H](C)OC)cc1C ZINC001202017572 811998932 /nfs/dbraw/zinc/99/89/32/811998932.db2.gz FSMNKEUVKGJCFW-UONOGXRCSA-N 1 0 265.397 3.297 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@H]2CCC[C@H]2CCO)cc1C ZINC001202102319 812014914 /nfs/dbraw/zinc/01/49/14/812014914.db2.gz POJHYAFSQPDMGL-IRXDYDNUSA-N 1 0 291.435 3.425 20 10 CGCDRO CC[C@H](C)C[C@H](CO)[NH2+]Cc1c(C)c2ccccc2n1C ZINC001202921707 812200144 /nfs/dbraw/zinc/20/01/44/812200144.db2.gz IHGAGWADWNQSGK-DZGCQCFKSA-N 1 0 288.435 3.373 20 10 CGCDRO C[C@@H](c1ccccc1)N1CC[NH+](Cc2ccccc2O)CC1 ZINC001203557078 812391583 /nfs/dbraw/zinc/39/15/83/812391583.db2.gz ZAQDCECCYIACSA-INIZCTEOSA-N 1 0 296.414 3.271 20 10 CGCDRO CC[N@H+](Cc1cccc(OC)c1)Cc1ccccc1O ZINC001203558307 812392116 /nfs/dbraw/zinc/39/21/16/812392116.db2.gz CNQHCTOAKMDLMR-UHFFFAOYSA-N 1 0 271.360 3.423 20 10 CGCDRO Cc1ccc([C@@H]2CCC[N@@H+]2Cc2ccccc2O)cn1 ZINC001203558711 812393150 /nfs/dbraw/zinc/39/31/50/812393150.db2.gz XLVIBEREDJPAOV-INIZCTEOSA-N 1 0 268.360 3.433 20 10 CGCDRO CC(C)[N@H+](CC(=O)c1ccccc1)Cc1ccccc1O ZINC001203558269 812393566 /nfs/dbraw/zinc/39/35/66/812393566.db2.gz BDJIELJRWOQWJI-UHFFFAOYSA-N 1 0 283.371 3.486 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CCc2cc(F)c(F)cc2C1 ZINC001203562048 812394679 /nfs/dbraw/zinc/39/46/79/812394679.db2.gz CCYGZNBQNHDPMU-UHFFFAOYSA-N 1 0 275.298 3.229 20 10 CGCDRO COc1cccc(C[N@@H+]2CC[C@H]3CCC[C@@H]3C2)c1O ZINC001203589081 812401741 /nfs/dbraw/zinc/40/17/41/812401741.db2.gz DDKBHKMLNMISNN-CHWSQXEVSA-N 1 0 261.365 3.023 20 10 CGCDRO COc1ccc(C[N@@H+]2CC[C@@H]2c2ccccc2)c(O)c1 ZINC001203628774 812411295 /nfs/dbraw/zinc/41/12/95/812411295.db2.gz HXZXTQDSJHCCCQ-MRXNPFEDSA-N 1 0 269.344 3.348 20 10 CGCDRO Oc1cccc2c1C[N@H+](Cc1cccc(F)c1)CC2 ZINC001203789501 812462084 /nfs/dbraw/zinc/46/20/84/812462084.db2.gz JAIXRZGQWMCWOZ-UHFFFAOYSA-N 1 0 257.308 3.090 20 10 CGCDRO Oc1ccc(C[N@@H+]2CCC[C@@H](Oc3ccccc3)C2)cc1O ZINC001203879573 812478796 /nfs/dbraw/zinc/47/87/96/812478796.db2.gz SQIDKBCETYKQIC-MRXNPFEDSA-N 1 0 299.370 3.141 20 10 CGCDRO COc1ccc2c(c1)C[N@@H+](Cc1ccc(O)c(O)c1)CCC2 ZINC001203881925 812479305 /nfs/dbraw/zinc/47/93/05/812479305.db2.gz YKVDSCHXOLZWLP-UHFFFAOYSA-N 1 0 299.370 3.055 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](F)C(F)(F)CC2)cc1 ZINC001203930281 812494039 /nfs/dbraw/zinc/49/40/39/812494039.db2.gz QUZGGSGHAYQAJW-CQSZACIVSA-N 1 0 286.341 3.322 20 10 CGCDRO CCCCC[NH+]1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC001203934026 812496245 /nfs/dbraw/zinc/49/62/45/812496245.db2.gz KDGCKUJYMLWRFX-UHFFFAOYSA-N 1 0 289.467 3.060 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C2CCC2)C2CCOCC2)cc1 ZINC001203936288 812496393 /nfs/dbraw/zinc/49/63/93/812496393.db2.gz LTBGDJIGCOCVPW-UHFFFAOYSA-N 1 0 288.435 3.286 20 10 CGCDRO CCN(CC)c1ccc(CN2CCC(=O)[C@H](F)CC2)cc1 ZINC001203940311 812497939 /nfs/dbraw/zinc/49/79/39/812497939.db2.gz LTYSGJZOLAINPI-MRXNPFEDSA-N 1 0 292.398 3.036 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H]2CN(C)C)cc1 ZINC001203939767 812498112 /nfs/dbraw/zinc/49/81/12/812498112.db2.gz VAILBVUEGXUVJF-SFHVURJKSA-N 1 0 289.467 3.059 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](CO)C2)c2ccccc21 ZINC001204232895 812580536 /nfs/dbraw/zinc/58/05/36/812580536.db2.gz LFRJDPVWNJTXIM-OAHLLOKOSA-N 1 0 298.430 3.110 20 10 CGCDRO CN(C)c1ccc(C[NH+]2CCSCC2)c2ccccc21 ZINC001204235240 812582391 /nfs/dbraw/zinc/58/23/91/812582391.db2.gz LKOKECHPSQCXBB-UHFFFAOYSA-N 1 0 286.444 3.455 20 10 CGCDRO Oc1ccc(CN2CCc3c4ccccc4oc3C2)c(O)c1 ZINC001204281586 812596553 /nfs/dbraw/zinc/59/65/53/812596553.db2.gz WXZXYHJZPDCGRS-UHFFFAOYSA-N 1 0 295.338 3.402 20 10 CGCDRO C[N@H+](CCc1ccncc1)Cc1ccc(N2CCCC2)cc1 ZINC001204327026 812614335 /nfs/dbraw/zinc/61/43/35/812614335.db2.gz LSBQESXWCQAVRH-UHFFFAOYSA-N 1 0 295.430 3.356 20 10 CGCDRO F[C@@H]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(N2CCCC2)cc1 ZINC001204327247 812614937 /nfs/dbraw/zinc/61/49/37/812614937.db2.gz MXXKRXHTTFKUIN-BHYGNILZSA-N 1 0 274.383 3.219 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCO[C@](C)(c3ccccc3)C2)c(O)c1 ZINC001204806641 812741771 /nfs/dbraw/zinc/74/17/71/812741771.db2.gz BOKQXKMJFMQYKC-IBGZPJMESA-N 1 0 297.398 3.448 20 10 CGCDRO [NH3+]C[C@H]1CCCCN1Cc1cc(Cl)c(Cl)cc1O ZINC001204931332 812781114 /nfs/dbraw/zinc/78/11/14/812781114.db2.gz AXLXEKXONKRPEQ-SNVBAGLBSA-N 1 0 289.206 3.012 20 10 CGCDRO [NH3+][C@@H]1CCCN(Cc2c(O)ccc(Cl)c2Cl)CC1 ZINC001205123362 812876581 /nfs/dbraw/zinc/87/65/81/812876581.db2.gz AMHGBFVSPYZSRN-SECBINFHSA-N 1 0 289.206 3.012 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(CN2CC[NH2+]CC[C@H]2C)cc1 ZINC001205324842 812954861 /nfs/dbraw/zinc/95/48/61/812954861.db2.gz GVUPGQUEWARTBJ-OAHLLOKOSA-N 1 0 297.446 3.278 20 10 CGCDRO OC[C@H](CC1CCCC1)[NH2+]Cc1ccc(Cl)cc1O ZINC001205527645 812995376 /nfs/dbraw/zinc/99/53/76/812995376.db2.gz ZNMHRTIRLUUHEW-AWEZNQCLSA-N 1 0 283.799 3.076 20 10 CGCDRO Cc1ccc(C[N@@H+](C)Cc2ccc(Cl)cc2O)nc1 ZINC001205632366 813034852 /nfs/dbraw/zinc/03/48/52/813034852.db2.gz FKOIXDHYYFZKDO-UHFFFAOYSA-N 1 0 276.767 3.381 20 10 CGCDRO CCN(CC)c1ccc(CN2C[C@H](C)CC[C@H]2C[NH3+])cc1 ZINC001205805845 813085324 /nfs/dbraw/zinc/08/53/24/813085324.db2.gz SEDSTXGNDWANIM-QAPCUYQASA-N 1 0 289.467 3.092 20 10 CGCDRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1cc(C(C)C)ccc1O ZINC001206239263 813251302 /nfs/dbraw/zinc/25/13/02/813251302.db2.gz CFSCEEFUGDVLQY-ZBFHGGJFSA-N 1 0 263.381 3.173 20 10 CGCDRO Oc1cc(Cl)ccc1C[NH+]1CC(CC2CCOCC2)C1 ZINC001207349164 813547208 /nfs/dbraw/zinc/54/72/08/813547208.db2.gz ZOPWVRLQWAGTOJ-UHFFFAOYSA-N 1 0 295.810 3.294 20 10 CGCDRO COc1ccc(N2CC[NH+](C[C@@H]3C[C@H]4C=C[C@@H]3C4)CC2)cc1 ZINC001207615984 813614084 /nfs/dbraw/zinc/61/40/84/813614084.db2.gz PFGDUNRWMCXLDS-BBWFWOEESA-N 1 0 298.430 3.029 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH+]1CC(Cc2ccoc2)C1 ZINC001207738675 813642223 /nfs/dbraw/zinc/64/22/23/813642223.db2.gz IESIYXRWPSHESZ-UHFFFAOYSA-N 1 0 284.403 3.329 20 10 CGCDRO CC[N@H+](CCCc1cccnc1)Cc1ccccc1O ZINC001209181921 813957702 /nfs/dbraw/zinc/95/77/02/813957702.db2.gz LAGLMHRBEACNRE-UHFFFAOYSA-N 1 0 270.376 3.242 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(C[N@H+]2CC[C@@H](C)[C@H](O)C2)cc1 ZINC001209516770 814071075 /nfs/dbraw/zinc/07/10/75/814071075.db2.gz NYWZZNGIFDWKFS-AUUYWEPGSA-N 1 0 298.430 3.297 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CC[C@](C)(O)C2)cc1 ZINC001209516942 814071681 /nfs/dbraw/zinc/07/16/81/814071681.db2.gz ULCDNFASCYTUAY-SFHVURJKSA-N 1 0 284.403 3.051 20 10 CGCDRO COc1c[nH+]ccc1Nc1c(O)ccc2ccccc21 ZINC001211263582 814866561 /nfs/dbraw/zinc/86/65/61/814866561.db2.gz WEEDCZMMYAKIOX-UHFFFAOYSA-N 1 0 266.300 3.115 20 10 CGCDRO Cc1cc(Cl)cc(CN2CCC[C@@]3(CCC[NH2+]3)C2)c1O ZINC001222360517 816419351 /nfs/dbraw/zinc/41/93/51/816419351.db2.gz QZTIUWXTOQDVAV-INIZCTEOSA-N 1 0 294.826 3.072 20 10 CGCDRO COc1cc(C[N@@H+]2CC[C@H]2c2ccccc2)c(O)cc1O ZINC001231637862 818143989 /nfs/dbraw/zinc/14/39/89/818143989.db2.gz TUSPYDPEWAWGBJ-AWEZNQCLSA-N 1 0 285.343 3.053 20 10 CGCDRO COc1cc(C[N@H+](C)C/C=C/c2ccccc2)c(O)cc1O ZINC001231637446 818144167 /nfs/dbraw/zinc/14/41/67/818144167.db2.gz MQYYKIBDGONBRD-RMKNXTFCSA-N 1 0 299.370 3.252 20 10 CGCDRO Cc1cc(C)c(C[N@H+](C)CC2CC(F)(F)C2)c(O)c1 ZINC001231847500 818187573 /nfs/dbraw/zinc/18/75/73/818187573.db2.gz ZMTOYPYWTFHWBL-UHFFFAOYSA-N 1 0 269.335 3.486 20 10 CGCDRO Cc1cc(C)c(C[N@@H+]2CCOc3ccccc3C2)c(O)c1 ZINC001231844369 818187613 /nfs/dbraw/zinc/18/76/13/818187613.db2.gz JRQFSPZXDOMFPV-UHFFFAOYSA-N 1 0 283.371 3.404 20 10 CGCDRO [O-]c1c(Cl)cccc1C[NH+]1CCC2(C[C@H]2CCO)CC1 ZINC001231910288 818209424 /nfs/dbraw/zinc/20/94/24/818209424.db2.gz KZEHCMMVQYGRCX-CYBMUJFWSA-N 1 0 295.810 3.030 20 10 CGCDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)Cc1cncc(O)c1 ZINC001232042354 818239371 /nfs/dbraw/zinc/23/93/71/818239371.db2.gz QMHMHTUDGPXHDT-UHFFFAOYSA-N 1 0 297.402 3.019 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)c(C)n1 ZINC001232084182 818250744 /nfs/dbraw/zinc/25/07/44/818250744.db2.gz FCFPAPLQNYCFMQ-UHFFFAOYSA-N 1 0 298.386 3.058 20 10 CGCDRO C[C@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232196672 818274850 /nfs/dbraw/zinc/27/48/50/818274850.db2.gz DWELPRZWTZBCHJ-ZDUSSCGKSA-N 1 0 294.826 3.161 20 10 CGCDRO Oc1cc(O)c(C[NH+]2CC(c3ccccc3)C2)cc1Cl ZINC001232262550 818297653 /nfs/dbraw/zinc/29/76/53/818297653.db2.gz JBJBGFHTOINTQU-UHFFFAOYSA-N 1 0 289.762 3.351 20 10 CGCDRO CCCC[N@H+](C)Cc1c2ccccc2n(C)c1C(=O)OC ZINC001232401464 818340107 /nfs/dbraw/zinc/34/01/07/818340107.db2.gz KNVUYMRJGWVTPC-UHFFFAOYSA-N 1 0 288.391 3.197 20 10 CGCDRO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1ccc(N(C)C)cc1O ZINC001232835191 818452468 /nfs/dbraw/zinc/45/24/68/818452468.db2.gz ZDMQPDIAOJGUJP-BETUJISGSA-N 1 0 262.397 3.221 20 10 CGCDRO C[C@H]1CC[C@H]([N@H+](C)Cc2ccc(N(C)C)cc2O)CC1 ZINC001232841586 818453657 /nfs/dbraw/zinc/45/36/57/818453657.db2.gz KWKPSGWRJPLCSR-CTYIDZIISA-N 1 0 276.424 3.469 20 10 CGCDRO CC[C@@H](c1ccccc1)[N@H+](C)Cc1cc(O)c(O)c(O)c1 ZINC001233016722 818502540 /nfs/dbraw/zinc/50/25/40/818502540.db2.gz MALBXWUWPPECNY-AWEZNQCLSA-N 1 0 287.359 3.387 20 10 CGCDRO Cc1cc(Br)cc(C[N@H+]2CC[C@H]2C)c1O ZINC001233106484 818523578 /nfs/dbraw/zinc/52/35/78/818523578.db2.gz IEHVEXUWTLIXRH-SECBINFHSA-N 1 0 270.170 3.057 20 10 CGCDRO C[C@H]1CC[N@H+](Cc2cc(C(C)(C)C)ccc2O)CC[C@@H]1O ZINC001233284153 818566608 /nfs/dbraw/zinc/56/66/08/818566608.db2.gz KIQWARPFKHRMQE-BBRMVZONSA-N 1 0 291.435 3.283 20 10 CGCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CC[C@H]3OCC[C@H]3C2)c1 ZINC001233287122 818570381 /nfs/dbraw/zinc/57/03/81/818570381.db2.gz XKRWCLUIXVQRBY-SUMWQHHRSA-N 1 0 289.419 3.301 20 10 CGCDRO C[C@@H]1CO[C@@H]2C[N@H+](Cc3cc(C(C)(C)C)ccc3O)C[C@H]12 ZINC001233287182 818571198 /nfs/dbraw/zinc/57/11/98/818571198.db2.gz ZUVUAJCVCZSABC-SRCQZFHVSA-N 1 0 289.419 3.156 20 10 CGCDRO CO[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233451401 818623108 /nfs/dbraw/zinc/62/31/08/818623108.db2.gz JFROAWAGMFTPOF-GFCCVEGCSA-N 1 0 289.297 3.022 20 10 CGCDRO Oc1cc(C(F)(F)F)ccc1C[NH+]1CC2CC(C2)C1 ZINC001233455740 818625384 /nfs/dbraw/zinc/62/53/84/818625384.db2.gz WVRUFNUFAMXLNL-UHFFFAOYSA-N 1 0 271.282 3.253 20 10 CGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCC[C@H](F)C3)c2c1 ZINC001234552860 818880700 /nfs/dbraw/zinc/88/07/00/818880700.db2.gz LTZKGJQUPSCWSL-ZDUSSCGKSA-N 1 0 289.350 3.488 20 10 CGCDRO COC1(C)C[NH+](Cc2cccc(-c3ccccc3)c2O)C1 ZINC001234991084 818970458 /nfs/dbraw/zinc/97/04/58/818970458.db2.gz KDFOIFFVKJFCAC-UHFFFAOYSA-N 1 0 283.371 3.280 20 10 CGCDRO Oc1c(C[N@@H+]2CCCC23COC3)cccc1-c1ccccc1 ZINC001234996352 818971204 /nfs/dbraw/zinc/97/12/04/818971204.db2.gz GFVSWJMGAJDFIJ-UHFFFAOYSA-N 1 0 295.382 3.424 20 10 CGCDRO C[N@H+](Cc1cccc(-c2ccccc2)c1O)[C@@H]1CCOC1 ZINC001234996865 818972132 /nfs/dbraw/zinc/97/21/32/818972132.db2.gz NXYMFPXGZGFBLW-MRXNPFEDSA-N 1 0 283.371 3.280 20 10 CGCDRO C[N@H+](CCF)Cc1cccc(-c2ccccc2)c1O ZINC001235001873 818974134 /nfs/dbraw/zinc/97/41/34/818974134.db2.gz WRXJTEOAIUYLNJ-UHFFFAOYSA-N 1 0 259.324 3.461 20 10 CGCDRO CC(C)[C@@H]1CN(Cc2ccc(C(C)(C)C)cc2O)CC[NH2+]1 ZINC001235475562 819108134 /nfs/dbraw/zinc/10/81/34/819108134.db2.gz VKULSOUAGYSXRE-INIZCTEOSA-N 1 0 290.451 3.120 20 10 CGCDRO C[N@H+](Cc1cncnc1)Cc1ccc(C(C)(C)C)cc1O ZINC001235679574 819138772 /nfs/dbraw/zinc/13/87/72/819138772.db2.gz GGMCSVBFABSQPA-UHFFFAOYSA-N 1 0 285.391 3.112 20 10 CGCDRO CC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(C(C)(C)C)cc1O ZINC001235681804 819139677 /nfs/dbraw/zinc/13/96/77/819139677.db2.gz QUDXDOMRTGWCAT-HNNXBMFYSA-N 1 0 275.392 3.243 20 10 CGCDRO CC(C)(C)c1ccc(C[N@@H+]2CCC[C@@H](CCO)C2)c(O)c1 ZINC001235683365 819141323 /nfs/dbraw/zinc/14/13/23/819141323.db2.gz DVXYGCJXFVFVIK-AWEZNQCLSA-N 1 0 291.435 3.284 20 10 CGCDRO C[C@H]1CC[C@H]([NH3+])CN1Cc1c(O)ccc(Cl)c1Cl ZINC001235891839 819200201 /nfs/dbraw/zinc/20/02/01/819200201.db2.gz JTKAJAOXVYHJPU-IUCAKERBSA-N 1 0 289.206 3.011 20 10 CGCDRO C[C@@H]1CC[C@@H]([NH3+])CN1Cc1cc(C(C)(C)C)ccc1O ZINC001235902415 819212156 /nfs/dbraw/zinc/21/21/56/819212156.db2.gz FSUDXRFYGGGABO-IUODEOHRSA-N 1 0 276.424 3.001 20 10 CGCDRO CCC[C@@H]1CNCC[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC001236132897 819336178 /nfs/dbraw/zinc/33/61/78/819336178.db2.gz PRFWEUFZXQNSDP-OAHLLOKOSA-N 1 0 284.403 3.119 20 10 CGCDRO C[C@@H]1[C@@H]([NH3+])CCCN1Cc1cc(Cl)c(Cl)cc1O ZINC001236416750 819462545 /nfs/dbraw/zinc/46/25/45/819462545.db2.gz CKGSRRIZAYOKRV-PELKAZGASA-N 1 0 289.206 3.011 20 10 CGCDRO Cc1cc(CN2CCC[C@H]([NH3+])[C@H]2C)c(C)n1-c1ccccc1 ZINC001236421652 819468247 /nfs/dbraw/zinc/46/82/47/819468247.db2.gz RNYSYKBCZXTNGF-APWZRJJASA-N 1 0 297.446 3.406 20 10 CGCDRO CCCC[N@H+](C)Cc1cc(O)c(Br)cc1O ZINC001236773218 819591380 /nfs/dbraw/zinc/59/13/80/819591380.db2.gz PWGDTPJECPPLMX-UHFFFAOYSA-N 1 0 288.185 3.092 20 10 CGCDRO CCc1ccc(C[N@H+](CC)Cc2ccncc2)c(O)c1 ZINC001236784269 819595569 /nfs/dbraw/zinc/59/55/69/819595569.db2.gz TUBODBNYMXHXBF-UHFFFAOYSA-N 1 0 270.376 3.372 20 10 CGCDRO CO[C@H](C)C1C[NH+](Cc2cc3ccccc3cc2O)C1 ZINC001236834666 819613372 /nfs/dbraw/zinc/61/33/72/819613372.db2.gz BBIUSELUYZJMMV-GFCCVEGCSA-N 1 0 271.360 3.012 20 10 CGCDRO CC[N@H+](CCOC)Cc1cc2ccccc2cc1O ZINC001236835036 819614641 /nfs/dbraw/zinc/61/46/41/819614641.db2.gz DCYJVDUUMXTFDZ-UHFFFAOYSA-N 1 0 259.349 3.014 20 10 CGCDRO CC(C)[C@H]1C[N@H+](Cc2cc3ccccc3cc2O)CCO1 ZINC001236837091 819616483 /nfs/dbraw/zinc/61/64/83/819616483.db2.gz NGKPRZQJKMKLER-GOSISDBHSA-N 1 0 285.387 3.402 20 10 CGCDRO CCCC[N@H+](C)Cc1ccc(N2CCOCC2)cc1Cl ZINC001236929772 819638460 /nfs/dbraw/zinc/63/84/60/819638460.db2.gz UDPVKOQFECDUPH-UHFFFAOYSA-N 1 0 296.842 3.409 20 10 CGCDRO CCC[N@H+](CCOC)Cc1ccc(C(C)C)cc1O ZINC001237046274 819649647 /nfs/dbraw/zinc/64/96/47/819649647.db2.gz SKCZDIQLBBWYCC-UHFFFAOYSA-N 1 0 265.397 3.374 20 10 CGCDRO CC(C)C[NH+]1CCN(Cc2ccc(C(C)C)cc2O)CC1 ZINC001237051224 819652532 /nfs/dbraw/zinc/65/25/32/819652532.db2.gz KPISLPVVTJXVQY-UHFFFAOYSA-N 1 0 290.451 3.289 20 10 CGCDRO CC(C)c1ccc(CN2CC[N@@H+](C(C)C)[C@@H](C)C2)c(O)c1 ZINC001237052054 819652700 /nfs/dbraw/zinc/65/27/00/819652700.db2.gz SNZHRCKVJHWITI-HNNXBMFYSA-N 1 0 290.451 3.430 20 10 CGCDRO CC(C)c1ccc(CN2CC([NH+]3CCCCC3)C2)c(O)c1 ZINC001237048038 819652830 /nfs/dbraw/zinc/65/28/30/819652830.db2.gz BYINFKKCTOINQV-UHFFFAOYSA-N 1 0 288.435 3.186 20 10 CGCDRO CC[N@H+](Cc1ccc(OCC(F)(F)F)cc1O)C1CC1 ZINC001237051626 819652909 /nfs/dbraw/zinc/65/29/09/819652909.db2.gz PGWLCHRGBFYGFA-UHFFFAOYSA-N 1 0 289.297 3.318 20 10 CGCDRO Oc1cccc(OC(F)(F)F)c1C[N@@H+]1CCC[C@@H]2C[C@@H]21 ZINC001237116005 819672033 /nfs/dbraw/zinc/67/20/33/819672033.db2.gz VTELQJDJXIOLJW-KOLCDFICSA-N 1 0 287.281 3.275 20 10 CGCDRO Cc1cc(CN2C[C@@H]([NH3+])C[C@H]2C)c(C)n1-c1ccccc1 ZINC001237203340 819697879 /nfs/dbraw/zinc/69/78/79/819697879.db2.gz DBZUAVLJMGSQMW-DYVFJYSZSA-N 1 0 283.419 3.016 20 10 CGCDRO COc1nc(Cl)ccc1CN(C)Cc1ccccc1O ZINC001237252757 819710477 /nfs/dbraw/zinc/71/04/77/819710477.db2.gz LOVFJYPLTVYILC-UHFFFAOYSA-N 1 0 292.766 3.081 20 10 CGCDRO COCC[C@@H]1CCCC[N@@H+]1Cc1c(C)cccc1O ZINC001237489667 819764761 /nfs/dbraw/zinc/76/47/61/819764761.db2.gz JPLLFWTZZPILPW-AWEZNQCLSA-N 1 0 263.381 3.092 20 10 CGCDRO COc1cc(C[N@@H+]2CCC[C@@H](C)CC2)c(O)c(OC)c1 ZINC001237670301 819803267 /nfs/dbraw/zinc/80/32/67/819803267.db2.gz SAJXORSZPCRCGN-GFCCVEGCSA-N 1 0 279.380 3.031 20 10 CGCDRO COc1cc(C[N@@H+]2CCCCC[C@H]2C)c(O)c(OC)c1 ZINC001237675284 819804629 /nfs/dbraw/zinc/80/46/29/819804629.db2.gz DEPGMYZUQVJWHO-GFCCVEGCSA-N 1 0 279.380 3.174 20 10 CGCDRO Cc1cc(F)cc(C[N@@H+]2CCC(F)(F)[C@H](C)C2)c1O ZINC001238056395 819918828 /nfs/dbraw/zinc/91/88/28/819918828.db2.gz HZAFBLZTRKFFPR-SNVBAGLBSA-N 1 0 273.298 3.317 20 10 CGCDRO Cc1cc(F)cc(C[N@@H+]2CC[C@@H](F)C(F)(F)CC2)c1O ZINC001238055627 819919014 /nfs/dbraw/zinc/91/90/14/819919014.db2.gz ARSSQMNWAWRDSI-GFCCVEGCSA-N 1 0 291.288 3.409 20 10 CGCDRO Cc1cc(F)cc(C[N@H+]2CCC[C@@H](C)CC2)c1O ZINC001238060121 819920351 /nfs/dbraw/zinc/92/03/51/819920351.db2.gz FHNZATJTSBUDLD-LLVKDONJSA-N 1 0 251.345 3.462 20 10 CGCDRO Cc1cc(F)cc(C[N@H+](C)Cc2cnc3ccccn23)c1O ZINC001238065204 819920938 /nfs/dbraw/zinc/92/09/38/819920938.db2.gz RYKLJSVSOKSJIW-UHFFFAOYSA-N 1 0 299.349 3.119 20 10 CGCDRO Cc1cc(F)cc(C[N@H+]2C[C@H]3[C@H](CCC3(F)F)C2)c1O ZINC001238065715 819922670 /nfs/dbraw/zinc/92/26/70/819922670.db2.gz ZMEXMBOAYCRLHJ-MFKMUULPSA-N 1 0 285.309 3.317 20 10 CGCDRO Cc1cc2cc(-c3[nH+]ccc4c3ccn4C)cnc2[nH]1 ZINC001240471878 821078281 /nfs/dbraw/zinc/07/82/81/821078281.db2.gz CTBPDNCRESTWNE-UHFFFAOYSA-N 1 0 262.316 3.425 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cccn2C2CC2)c1 ZINC001327295904 935051807 /nfs/dbraw/zinc/05/18/07/935051807.db2.gz DRKUNBJTISFUFZ-LBPRGKRZSA-N 1 0 286.375 3.388 20 10 CGCDRO CO[C@@H]1CC[C@@H]([NH2+][C@H](C)c2c(C)cc(C)cc2O)C1 ZINC001340609019 936409361 /nfs/dbraw/zinc/40/93/61/936409361.db2.gz BUBVWZJINBHALD-MGPQQGTHSA-N 1 0 263.381 3.227 20 10 CGCDRO CC1(C)C[C@H]([NH2+]Cc2ccc(N)cc2)c2cc(N)ccc2O1 ZINC001352789974 937049803 /nfs/dbraw/zinc/04/98/03/937049803.db2.gz MFMOJLAEGKZSIT-INIZCTEOSA-N 1 0 297.402 3.243 20 10 CGCDRO C[C@@H](CC(F)(F)F)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000160561983 927440326 /nfs/dbraw/zinc/44/03/26/927440326.db2.gz WSYGXCVAXXAJAR-JTQLQIEISA-N 1 0 260.303 3.183 20 10 CGCDRO CC1(C)C[N@H+](Cc2cc(F)c(F)cc2[O-])[C@@H]1C1CC1 ZINC001474560908 937206398 /nfs/dbraw/zinc/20/63/98/937206398.db2.gz LKYNUQTWXFJVOH-CQSZACIVSA-N 1 0 267.319 3.291 20 10 CGCDRO COc1cc(C)c(C[N@H+](C)[C@@H]2CC[C@H](SC)C2)c(O)c1 ZINC001308597338 928534059 /nfs/dbraw/zinc/53/40/59/928534059.db2.gz SAVDTBOVXMICBD-OCCSQVGLSA-N 1 0 295.448 3.425 20 10 CGCDRO COc1ccc(N(C)CC[N@H+](C)CCC=C(C)C)cc1 ZINC001460333875 937527500 /nfs/dbraw/zinc/52/75/00/937527500.db2.gz HPSLXSQFHOOXTB-UHFFFAOYSA-N 1 0 276.424 3.420 20 10 CGCDRO CCOc1cccc(C[N@H+](C)CCC(F)(F)F)c1O ZINC000211481549 931946826 /nfs/dbraw/zinc/94/68/26/931946826.db2.gz IVHCPPNORWWKHJ-UHFFFAOYSA-N 1 0 277.286 3.175 20 10 CGCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@]3(C2)CCCCO3)c1O ZINC001140178442 931956865 /nfs/dbraw/zinc/95/68/65/931956865.db2.gz LSNLBQBSLUIBNM-KRWDZBQOSA-N 1 0 275.392 3.154 20 10 CGCDRO CCOc1cccc(C[NH2+][C@H]2CCC[C@H](F)C2)c1O ZINC001329497978 932004069 /nfs/dbraw/zinc/00/40/69/932004069.db2.gz BNZWMDNFVSXWFS-STQMWFEESA-N 1 0 267.344 3.161 20 10 CGCDRO CC(C)CC[C@](C)(O)C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001461225942 937570432 /nfs/dbraw/zinc/57/04/32/937570432.db2.gz DIWOKMSHPRKDBB-SFHVURJKSA-N 1 0 291.435 3.288 20 10 CGCDRO C[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(N(C)C)c(F)c2)C1 ZINC001461483361 937582979 /nfs/dbraw/zinc/58/29/79/937582979.db2.gz YMOZAIOPUMDWFU-CHWSQXEVSA-N 1 0 264.388 3.418 20 10 CGCDRO Oc1cc(Cl)ccc1C[NH2+][C@@H]1CCCN2CCCC[C@H]12 ZINC001462387436 937637228 /nfs/dbraw/zinc/63/72/28/937637228.db2.gz PPQVIXQHILDKAE-HUUCEWRRSA-N 1 0 294.826 3.152 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+][C@H]3CCCC[C@@H]3C)C2)cc1 ZINC001462419995 937640198 /nfs/dbraw/zinc/64/01/98/937640198.db2.gz IKWXCGLGCGUOFM-MPGHIAIKSA-N 1 0 288.435 3.442 20 10 CGCDRO CC1(C)[C@H](C[NH2+]Cc2ccc(Cl)cc2O)C1(F)F ZINC001462453830 937642593 /nfs/dbraw/zinc/64/25/93/937642593.db2.gz PYIRNKAOGULTOV-NSHDSACASA-N 1 0 275.726 3.427 20 10 CGCDRO CCCN1CC[C@@H]([NH2+]Cc2cc(C(C)C)ccc2O)C1 ZINC001462459164 937643287 /nfs/dbraw/zinc/64/32/87/937643287.db2.gz RVOYPWADDWUYOL-MRXNPFEDSA-N 1 0 276.424 3.090 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2C[C@@H]3CCC[C@@H]32)c1 ZINC001308749103 933169631 /nfs/dbraw/zinc/16/96/31/933169631.db2.gz ZSEIJRMKUUNPMZ-MPXAEWJHSA-N 1 0 261.365 3.240 20 10 CGCDRO CO[C@](C)(C[NH2+]Cc1ccc(C)cc1O)c1ccccc1 ZINC001308773106 933174018 /nfs/dbraw/zinc/17/40/18/933174018.db2.gz FSVGYEPFLIWPBZ-GOSISDBHSA-N 1 0 285.387 3.352 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001308812084 933181468 /nfs/dbraw/zinc/18/14/68/933181468.db2.gz VPELZPPXHLNZKQ-CABCVRRESA-N 1 0 280.362 3.148 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C ZINC001308941673 933209255 /nfs/dbraw/zinc/20/92/55/933209255.db2.gz ZVZCCNUOIBEFBN-PLYYQAHHSA-N 1 0 272.436 3.443 20 10 CGCDRO OCC[C@H]([NH2+]Cc1ccc(Cl)cc1O)C1CCCC1 ZINC001308956815 933212824 /nfs/dbraw/zinc/21/28/24/933212824.db2.gz RYQKPBAKEKVHFJ-AWEZNQCLSA-N 1 0 283.799 3.076 20 10 CGCDRO Oc1cc(Cl)ccc1C[NH2+]C[C@H]1CC[C@H](C2CC2)O1 ZINC001308961664 933213968 /nfs/dbraw/zinc/21/39/68/933213968.db2.gz ZVPGSXJYHGYCHY-UKRRQHHQSA-N 1 0 281.783 3.093 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CCCc3nc(C)ncc32)cc1C ZINC001318642815 933757702 /nfs/dbraw/zinc/75/77/02/933757702.db2.gz LNNZIVGMFKATID-MRXNPFEDSA-N 1 0 297.402 3.269 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC001319691650 933915412 /nfs/dbraw/zinc/91/54/12/933915412.db2.gz QOTFSHMONWREME-MRXNPFEDSA-N 1 0 297.398 3.465 20 10 CGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]C[C@H]1CCCO1 ZINC001324848780 934865520 /nfs/dbraw/zinc/86/55/20/934865520.db2.gz RQAHVGUUXFYZCC-XQQFMLRXSA-N 1 0 261.365 3.018 20 10 CGCDRO CC1=CCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001325086985 934886432 /nfs/dbraw/zinc/88/64/32/934886432.db2.gz WTOYEJQSGQYWQV-UHFFFAOYSA-N 1 0 256.393 3.439 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCc3c(O)cccc3C2)cc1 ZINC001473696034 937817547 /nfs/dbraw/zinc/81/75/47/937817547.db2.gz CVQSBTGOHWFXIZ-UHFFFAOYSA-N 1 0 296.414 3.407 20 10 CGCDRO CCO[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3C)C1 ZINC001327375349 935056510 /nfs/dbraw/zinc/05/65/10/935056510.db2.gz LNSQXXBTDINUBG-IGQOVBAYSA-N 1 0 275.392 3.406 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)c1O ZINC001328158554 935121601 /nfs/dbraw/zinc/12/16/01/935121601.db2.gz IXNORPYKHXPTAE-FRRDWIJNSA-N 1 0 297.345 3.314 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CCN(C)CC(F)F ZINC001329755646 935244510 /nfs/dbraw/zinc/24/45/10/935244510.db2.gz SMGWHNOQCFERJH-VXGBXAGGSA-N 1 0 298.377 3.035 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@@H](CF)C2)c1 ZINC001331479451 935383964 /nfs/dbraw/zinc/38/39/64/935383964.db2.gz ZVJKRBGJHIZMMN-ZDUSSCGKSA-N 1 0 251.345 3.191 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCOC12CCCC2 ZINC001335133804 936131079 /nfs/dbraw/zinc/13/10/79/936131079.db2.gz LCGLBKKJLKQWDY-KRWDZBQOSA-N 1 0 288.435 3.252 20 10 CGCDRO CS[C@@H]1CC[C@H]([N@H+](C)Cc2cc(F)ccc2O)C1 ZINC001337395958 936256517 /nfs/dbraw/zinc/25/65/17/936256517.db2.gz MSKXRFHEGWUPIY-QWHCGFSZSA-N 1 0 269.385 3.247 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CCC[C@@H]2C2CC2)c(O)c1 ZINC001474335997 937852431 /nfs/dbraw/zinc/85/24/31/937852431.db2.gz OCVQZYFHCBCETE-OAHLLOKOSA-N 1 0 261.365 3.084 20 10 CGCDRO C[C@@H]1SCC[N@H+](Cc2ccc(Cl)cc2O)[C@H]1C ZINC001474369534 937855084 /nfs/dbraw/zinc/85/50/84/937855084.db2.gz MNPIWEDAZZRZJP-UWVGGRQHSA-N 1 0 271.813 3.371 20 10 CGCDRO COC(=O)CCCCC[NH2+]Cc1cc(C(C)C)ccc1O ZINC001474505509 937863899 /nfs/dbraw/zinc/86/38/99/937863899.db2.gz VMAFSKYWQWEEQF-UHFFFAOYSA-N 1 0 293.407 3.339 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+]CC(O)(C2CC2)C2CC2)c1 ZINC001474628501 937871580 /nfs/dbraw/zinc/87/15/80/937871580.db2.gz KRUFCHVYJFYSRA-UHFFFAOYSA-N 1 0 289.419 3.156 20 10 CGCDRO CNc1ccc(C)cc1C[N@@H+]1Cc2cccc(O)c2C1 ZINC001474677894 937874352 /nfs/dbraw/zinc/87/43/52/937874352.db2.gz YSRZIYNEYRSEED-UHFFFAOYSA-N 1 0 268.360 3.258 20 10 CGCDRO COc1cc(O)c(C[NH2+]C2(C)C(C)(C)C2(C)C)cc1OC ZINC001474737742 937877897 /nfs/dbraw/zinc/87/78/97/937877897.db2.gz BYGUUULFXRZZMB-UHFFFAOYSA-N 1 0 293.407 3.324 20 10 CGCDRO C[C@@H]([NH2+]CCN1C[C@@H](C)C[C@H](C)C1)c1ccccc1O ZINC001560074858 938243107 /nfs/dbraw/zinc/24/31/07/938243107.db2.gz ITEMGFHTJRGIDZ-SOUVJXGZSA-N 1 0 276.424 3.021 20 10 CGCDRO Cc1cc(O)c(CN2CCOC(C)(C)[C@H]2C)cc1Cl ZINC001560688049 938270148 /nfs/dbraw/zinc/27/01/48/938270148.db2.gz WLXFQCUIOHATEH-LLVKDONJSA-N 1 0 283.799 3.353 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)cc1C)[C@H]1CCCCO1 ZINC001560908182 938283192 /nfs/dbraw/zinc/28/31/92/938283192.db2.gz IGVGZYNCHSFJET-ZWKOTPCHSA-N 1 0 290.451 3.498 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)cc1C)[C@@H]1CCCCO1 ZINC001560908181 938283233 /nfs/dbraw/zinc/28/32/33/938283233.db2.gz IGVGZYNCHSFJET-ROUUACIJSA-N 1 0 290.451 3.498 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3C[C@@H]4CCC[C@H]34)C2)cc1 ZINC001560928650 938284217 /nfs/dbraw/zinc/28/42/17/938284217.db2.gz YVDDXWYOYPPBLP-DFEHZGFQSA-N 1 0 286.419 3.052 20 10 CGCDRO C[C@H]([NH2+]Cc1cccn1C(F)F)c1ccccc1O ZINC001560970685 938287222 /nfs/dbraw/zinc/28/72/22/938287222.db2.gz FKSHPSMVDVQSCO-JTQLQIEISA-N 1 0 266.291 3.440 20 10 CGCDRO Cc1ccc(C[NH2+]C[C@]2(C)OCCc3ccccc32)c(O)c1 ZINC001560984944 938288083 /nfs/dbraw/zinc/28/80/83/938288083.db2.gz MCSNPYDBPPNDMG-IBGZPJMESA-N 1 0 297.398 3.278 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C[C@]2(C)CC2(C)C)cc1F ZINC001560573295 960608496 /nfs/dbraw/zinc/60/84/96/960608496.db2.gz QKTCPPIJWPZRLQ-INIZCTEOSA-N 1 0 264.388 3.418 20 10 CGCDRO Nc1ccc(C[NH2+][C@H]2CCCN(c3cccc(F)c3)C2)cc1 ZINC001580445383 962727496 /nfs/dbraw/zinc/72/74/96/962727496.db2.gz AZNZZWBRIRSXAG-KRWDZBQOSA-N 1 0 299.393 3.167 20 10 CGCDRO Nc1ccc(C[NH+]2CCC(CCCn3ccnc3)CC2)cc1 ZINC001580443552 962727585 /nfs/dbraw/zinc/72/75/85/962727585.db2.gz POIBTYNOXHWKAE-UHFFFAOYSA-N 1 0 298.434 3.158 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+][C@@H](CO)Cc2ccccc2)c1 ZINC001652259782 1126253652 /nfs/dbraw/zinc/25/36/52/1126253652.db2.gz DCTLOUCEEVOBBZ-GOSISDBHSA-N 1 0 299.414 3.209 20 10 CGCDRO Oc1ccccc1C[NH+]1CCC(C2CCOCC2)CC1 ZINC000015782064 368702629 /nfs/dbraw/zinc/70/26/29/368702629.db2.gz LVWYKXKCXNURLY-UHFFFAOYSA-N 1 0 275.392 3.031 20 10 CGCDRO Cc1cccc(C[NH+]2CCC(C(F)(F)F)CC2)c1O ZINC000124527750 370925094 /nfs/dbraw/zinc/92/50/94/370925094.db2.gz WZAOOSPAICAQAN-UHFFFAOYSA-N 1 0 273.298 3.475 20 10 CGCDRO COc1ccc(O)c(C[NH2+]Cc2ccc(C)s2)c1 ZINC000050225197 369432849 /nfs/dbraw/zinc/43/28/49/369432849.db2.gz ARUWAYYJKRFLCR-UHFFFAOYSA-N 1 0 263.362 3.061 20 10 CGCDRO C[N@@H+](Cc1ccccc1O)C[C@@H](O)c1cccc(Cl)c1 ZINC000072629607 369830291 /nfs/dbraw/zinc/83/02/91/369830291.db2.gz MEZFAWXXCWXBLM-MRXNPFEDSA-N 1 0 291.778 3.211 20 10 CGCDRO C[C@H]([NH2+]CC1=CCCOC1)c1cc2c(cc1O)CCCC2 ZINC000287039374 371593102 /nfs/dbraw/zinc/59/31/02/371593102.db2.gz MGQUQDQZZBBDPR-ZDUSSCGKSA-N 1 0 287.403 3.268 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCSC2)c(O)c1 ZINC000287239997 371626483 /nfs/dbraw/zinc/62/64/83/371626483.db2.gz YTZODAMAOVQJPJ-QWHCGFSZSA-N 1 0 265.422 3.494 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCOC(C)(C)C1)c1ccccc1O ZINC000159950448 372198802 /nfs/dbraw/zinc/19/88/02/372198802.db2.gz YWPWHRMIBFNOEG-JSGCOSHPSA-N 1 0 263.381 3.391 20 10 CGCDRO CC1(C)OCC[C@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000293759806 372473238 /nfs/dbraw/zinc/47/32/38/372473238.db2.gz OWWUUZXLQIXTNB-QGZVFWFLSA-N 1 0 288.435 3.334 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](O)c2ccccc2)c(O)c1 ZINC000293789912 372482912 /nfs/dbraw/zinc/48/29/12/372482912.db2.gz QNEZXHNPDDJNPF-PBHICJAKSA-N 1 0 285.387 3.393 20 10 CGCDRO CC[C@H]([NH2+]Cc1snnc1C)c1ccc(C)cc1O ZINC000293805711 372488968 /nfs/dbraw/zinc/48/89/68/372488968.db2.gz VHWMUAVDRDYZBH-LBPRGKRZSA-N 1 0 277.393 3.101 20 10 CGCDRO CSCCC[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000293939735 372530879 /nfs/dbraw/zinc/53/08/79/372530879.db2.gz YPIVEBLBIAFSES-LBPRGKRZSA-N 1 0 253.411 3.413 20 10 CGCDRO CC[C@H]([NH2+][C@@H](CC)C(C)(C)O)c1ccc(F)cc1[O-] ZINC000294552884 372660222 /nfs/dbraw/zinc/66/02/22/372660222.db2.gz BHVYFPCXIYKJHS-JSGCOSHPSA-N 1 0 269.360 3.122 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2CCCC[C@@H]2O)c(O)c1 ZINC000294793813 372672793 /nfs/dbraw/zinc/67/27/93/372672793.db2.gz OMUGKOMYLKSWBJ-ZNMIVQPWSA-N 1 0 277.408 3.211 20 10 CGCDRO C[N@H+](Cc1cccc(Cl)c1[O-])[C@H](CO)c1ccccc1 ZINC000295062897 372690781 /nfs/dbraw/zinc/69/07/81/372690781.db2.gz OOIGFCSWVBYPFP-OAHLLOKOSA-N 1 0 291.778 3.211 20 10 CGCDRO C[N@H+](Cc1c(O)cccc1Cl)[C@@H](CO)c1ccccc1 ZINC000295097444 372691565 /nfs/dbraw/zinc/69/15/65/372691565.db2.gz SGKQKBDVALZXOM-HNNXBMFYSA-N 1 0 291.778 3.211 20 10 CGCDRO CCn1cc([C@H](C)[NH2+][C@@H](C)c2ccc(C)cc2O)cn1 ZINC000295876053 372942838 /nfs/dbraw/zinc/94/28/38/372942838.db2.gz GOBJKNSLTMWAFW-STQMWFEESA-N 1 0 273.380 3.329 20 10 CGCDRO CC(C)(CO)[C@H]([NH2+]Cc1ccccc1O)c1cccs1 ZINC000296023481 372998450 /nfs/dbraw/zinc/99/84/50/372998450.db2.gz NPYZMYZZXJOYBZ-OAHLLOKOSA-N 1 0 291.416 3.303 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@](C)(F)C2)c1 ZINC000296077165 373015048 /nfs/dbraw/zinc/01/50/48/373015048.db2.gz QGDBQJMARHXZNI-HNNXBMFYSA-N 1 0 267.344 3.115 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+][C@@H]1CCCC13CCOCC3)CC2 ZINC000296299446 373083716 /nfs/dbraw/zinc/08/37/16/373083716.db2.gz DNQJLOIBGWAANO-GDBMZVCRSA-N 1 0 287.403 3.318 20 10 CGCDRO CCCN(Cc1ccncc1C)c1ccc(C[NH3+])cc1 ZINC000296685424 373220168 /nfs/dbraw/zinc/22/01/68/373220168.db2.gz HDHBBEBPAHBYBE-UHFFFAOYSA-N 1 0 269.392 3.265 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]CCCOC1CCCC1)CC2 ZINC000297651831 373277201 /nfs/dbraw/zinc/27/72/01/373277201.db2.gz KFTVIFJHKUEBQF-HNNXBMFYSA-N 1 0 275.392 3.318 20 10 CGCDRO C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296933106 373253277 /nfs/dbraw/zinc/25/32/77/373253277.db2.gz QBOHLDUJZGKGTP-QBIMZIAESA-N 1 0 297.398 3.481 20 10 CGCDRO COCC(C)(C)CCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297407497 373267757 /nfs/dbraw/zinc/26/77/57/373267757.db2.gz SXQFHDQRZZTYAC-CQSZACIVSA-N 1 0 277.408 3.422 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]CC[C@H](C)CCO)c(O)c1 ZINC000297340688 373269202 /nfs/dbraw/zinc/26/92/02/373269202.db2.gz OLLFSLNIOHRLSK-FZMZJTMJSA-N 1 0 265.397 3.068 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C2(c3ccccc3F)CC2)c1 ZINC000182400088 374269630 /nfs/dbraw/zinc/26/96/30/374269630.db2.gz PDLJACYXJOORBQ-UHFFFAOYSA-N 1 0 287.334 3.319 20 10 CGCDRO C[C@H]([NH2+]CCOc1ccc(Cl)cn1)c1ccccc1O ZINC000183617934 374433712 /nfs/dbraw/zinc/43/37/12/374433712.db2.gz YNJRMRMLUIZCSJ-NSHDSACASA-N 1 0 292.766 3.170 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)[C@H](O)c1ccc(F)cc1 ZINC000183516617 374422053 /nfs/dbraw/zinc/42/20/53/374422053.db2.gz XFZQGIHGPMNQRC-JKDFXYPNSA-N 1 0 289.350 3.304 20 10 CGCDRO COC[C@@H]([NH2+][C@H](C)c1ccccc1O)c1ccccc1 ZINC000183604632 374431921 /nfs/dbraw/zinc/43/19/21/374431921.db2.gz VROWJNIDCSLAID-CZUORRHYSA-N 1 0 271.360 3.431 20 10 CGCDRO Cc1cccc(C[N@@H+](C)[C@H](C)c2ccncc2)c1O ZINC000183712076 374445059 /nfs/dbraw/zinc/44/50/59/374445059.db2.gz MEWCGFZOLZEGOJ-CYBMUJFWSA-N 1 0 256.349 3.289 20 10 CGCDRO CCOc1ccc(O)c(C[N@H+](C)[C@@H](C)c2cccnc2)c1 ZINC000183727098 374446441 /nfs/dbraw/zinc/44/64/41/374446441.db2.gz QOSZQZZFRIHYJT-ZDUSSCGKSA-N 1 0 286.375 3.379 20 10 CGCDRO CC[C@H](O)CC[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000185801915 374739835 /nfs/dbraw/zinc/73/98/35/374739835.db2.gz BMIPPLDKOHXNTR-DOMZBBRYSA-N 1 0 277.408 3.083 20 10 CGCDRO C[C@H]([NH2+]C[C@](C)(O)C1CCCCC1)c1ccccc1O ZINC000188670917 375250552 /nfs/dbraw/zinc/25/05/52/375250552.db2.gz RJXDUZLIPFLWND-GUYCJALGSA-N 1 0 277.408 3.374 20 10 CGCDRO Cc1cccc(C[NH+]2CCC([C@H]3CCCO3)CC2)c1O ZINC000188269262 375186724 /nfs/dbraw/zinc/18/67/24/375186724.db2.gz XSLSLATVVSKQOF-MRXNPFEDSA-N 1 0 275.392 3.092 20 10 CGCDRO Cc1cccc(C[NH+]2CCC([C@@H]3CCCO3)CC2)c1O ZINC000188269235 375186748 /nfs/dbraw/zinc/18/67/48/375186748.db2.gz XSLSLATVVSKQOF-INIZCTEOSA-N 1 0 275.392 3.092 20 10 CGCDRO C[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)CCS1 ZINC000190699056 375532096 /nfs/dbraw/zinc/53/20/96/375532096.db2.gz XBZHHUYZXRQKNV-ZDUSSCGKSA-N 1 0 264.438 3.080 20 10 CGCDRO Cc1cc(O)c(C[NH+]2CCC([C@H]3CCCO3)CC2)cc1C ZINC000190181868 375482593 /nfs/dbraw/zinc/48/25/93/375482593.db2.gz UCLXQTNLMCEQSA-GOSISDBHSA-N 1 0 289.419 3.400 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](C)[C@@H](C)OC)c1ccc(N(C)C)cc1 ZINC000191641218 375646081 /nfs/dbraw/zinc/64/60/81/375646081.db2.gz ADTXNLHCMZMTBS-WOSRLPQWSA-N 1 0 264.413 3.217 20 10 CGCDRO Cc1cccc(C[NH2+]C[C@H]2CCN2C2CCCCC2)c1O ZINC000529642300 375931862 /nfs/dbraw/zinc/93/18/62/375931862.db2.gz TWRFLZXWISWIMK-QGZVFWFLSA-N 1 0 288.435 3.197 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cccc(CO)c1 ZINC000270526869 378364690 /nfs/dbraw/zinc/36/46/90/378364690.db2.gz TVIZPSIKYSATLE-CQSZACIVSA-N 1 0 284.403 3.096 20 10 CGCDRO Cn1ccc(C[N@H+](Cc2ccccc2O)C2CCCCC2)n1 ZINC000271006549 378426746 /nfs/dbraw/zinc/42/67/46/378426746.db2.gz NRRZQIPBTNXAFN-UHFFFAOYSA-N 1 0 299.418 3.461 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2CCSC2)cc1 ZINC000271542951 378497708 /nfs/dbraw/zinc/49/77/08/378497708.db2.gz UPMKDEXZRKOXCX-OCCSQVGLSA-N 1 0 264.438 3.299 20 10 CGCDRO COCC[C@@H]([NH2+]Cc1cccc(C)c1O)c1ccco1 ZINC000272562763 378666741 /nfs/dbraw/zinc/66/67/41/378666741.db2.gz UKBDCCJLHYNPMD-CQSZACIVSA-N 1 0 275.348 3.161 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccnc2)c(O)c1C ZINC000273394952 378743561 /nfs/dbraw/zinc/74/35/61/378743561.db2.gz LRETZXZMIQFYPP-CYBMUJFWSA-N 1 0 256.349 3.255 20 10 CGCDRO C[C@H](CCO)C1(C[NH2+][C@@H](C)c2cc(F)ccc2O)CCC1 ZINC000273445309 378746545 /nfs/dbraw/zinc/74/65/45/378746545.db2.gz DYCHITSDCHCCKS-OLZOCXBDSA-N 1 0 295.398 3.371 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccn(C)c2)c(O)c1C ZINC000273555371 378752326 /nfs/dbraw/zinc/75/23/26/378752326.db2.gz GTRLWFLKFLAUJP-CYBMUJFWSA-N 1 0 258.365 3.198 20 10 CGCDRO C[C@@H]([NH2+]CC1(CCO)CCCC1)c1cc(F)ccc1O ZINC000273590431 378754642 /nfs/dbraw/zinc/75/46/42/378754642.db2.gz OZNQDGMZDMMISN-GFCCVEGCSA-N 1 0 281.371 3.125 20 10 CGCDRO COc1ccc2c(c1)OC[C@@H]([NH2+][C@@H](C)c1ccccc1O)C2 ZINC000272795546 378705374 /nfs/dbraw/zinc/70/53/74/378705374.db2.gz AJUXUZWHNBEQNN-JSGCOSHPSA-N 1 0 299.370 3.055 20 10 CGCDRO Oc1ccc(F)cc1C[NH+]1CCC(c2ccccn2)CC1 ZINC000371528691 379168433 /nfs/dbraw/zinc/16/84/33/379168433.db2.gz NIXMQXYEJUWAIP-UHFFFAOYSA-N 1 0 286.350 3.306 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(F)cc1[O-] ZINC000375887846 379514978 /nfs/dbraw/zinc/51/49/78/379514978.db2.gz JUWAFARBXKMDFD-FMKPAKJESA-N 1 0 292.398 3.199 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+][C@H]2CSC2(C)C)c1O ZINC000282989434 380020958 /nfs/dbraw/zinc/02/09/58/380020958.db2.gz JXAOCWVEHIPHKC-NSHDSACASA-N 1 0 287.812 3.038 20 10 CGCDRO CC[C@@H]([NH2+]CCC1(O)CCC1)c1ccc(C)cc1O ZINC000284328812 380138960 /nfs/dbraw/zinc/13/89/60/380138960.db2.gz KPOXKSQRRBYSQE-CQSZACIVSA-N 1 0 263.381 3.046 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]CC2([C@H](O)C(C)C)CC2)c(O)c1 ZINC000285123494 380145068 /nfs/dbraw/zinc/14/50/68/380145068.db2.gz LCWSIODXBHVOPD-WMLDXEAASA-N 1 0 291.435 3.457 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CN(C3CC3)C[C@H]2C)c(O)c1 ZINC000283973563 380111875 /nfs/dbraw/zinc/11/18/75/380111875.db2.gz GPXPGYCCYUJEMI-IJEWVQPXSA-N 1 0 288.435 3.142 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCCCCCO)c(O)c1 ZINC000285344458 380148454 /nfs/dbraw/zinc/14/84/54/380148454.db2.gz UYIPSTNNNZYMFR-AWEZNQCLSA-N 1 0 265.397 3.212 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CCSC2)c(O)c1 ZINC000285402703 380148486 /nfs/dbraw/zinc/14/84/86/380148486.db2.gz XHAQRRGFUIHBSJ-STQMWFEESA-N 1 0 265.422 3.413 20 10 CGCDRO CCCOc1ccc(C[N@H+](C)CCOCC2CC2)c(O)c1 ZINC000093818623 392241293 /nfs/dbraw/zinc/24/12/93/392241293.db2.gz FNTWEWZWQSJJRD-UHFFFAOYSA-N 1 0 293.407 3.039 20 10 CGCDRO CCCOc1ccc(C[N@@H+]2CC[C@H](OC)C[C@@H]2C)c(O)c1 ZINC000282206889 392284023 /nfs/dbraw/zinc/28/40/23/392284023.db2.gz HDKRDBSTLNTTQX-ZFWWWQNUSA-N 1 0 293.407 3.180 20 10 CGCDRO CCOc1cccc(C[N@H+](C)[C@H](C)C(C)C)c1O ZINC000132237799 392459786 /nfs/dbraw/zinc/45/97/86/392459786.db2.gz YEYRGHIFXUKVGD-GFCCVEGCSA-N 1 0 251.370 3.267 20 10 CGCDRO CC[C@@H]([NH2+][C@H](CC)C(C)(C)O)c1ccc(N(C)C)cc1 ZINC000294944130 392541521 /nfs/dbraw/zinc/54/15/21/392541521.db2.gz IDMOZIKMOCBXEA-HZPDHXFCSA-N 1 0 278.440 3.343 20 10 CGCDRO COc1ccc(C[NH2+]Cc2cccc(C)c2O)c(OC)c1 ZINC000158111484 392556156 /nfs/dbraw/zinc/55/61/56/392556156.db2.gz NNAWMVQWXOAVLY-UHFFFAOYSA-N 1 0 287.359 3.008 20 10 CGCDRO CC[C@@H]([NH2+]CC(C)(C)CCOC)c1ccccc1O ZINC000158111508 392556497 /nfs/dbraw/zinc/55/64/97/392556497.db2.gz PHGHZFCHPQNORX-CQSZACIVSA-N 1 0 265.397 3.496 20 10 CGCDRO C[C@H]([NH2+]C[C@@]1(C)CCO[C@H]1C1CC1)c1ccccc1O ZINC000372096209 392583554 /nfs/dbraw/zinc/58/35/54/392583554.db2.gz RHQDZMTWJRMABO-AFAVFJNCSA-N 1 0 275.392 3.248 20 10 CGCDRO Oc1ccc2ccccc2c1C[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000372176461 392591278 /nfs/dbraw/zinc/59/12/78/392591278.db2.gz SESAFGJLLRIVJM-HZPDHXFCSA-N 1 0 297.398 3.404 20 10 CGCDRO CCc1cc(NCc2ccc(N3CC=CC3)cc2)nc(C)n1 ZINC000302053028 392609050 /nfs/dbraw/zinc/60/90/50/392609050.db2.gz PCMYUBSPDRDWBH-UHFFFAOYSA-N 1 0 294.402 3.336 20 10 CGCDRO Oc1ccccc1C[NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000374498240 392680081 /nfs/dbraw/zinc/68/00/81/392680081.db2.gz UVLLGVVFCQPQIG-AEFFLSMTSA-N 1 0 283.371 3.260 20 10 CGCDRO C[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)CCCO1 ZINC000179394533 392700794 /nfs/dbraw/zinc/70/07/94/392700794.db2.gz VCNKQWKFSAJYCG-INIZCTEOSA-N 1 0 288.435 3.288 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000179580341 392704445 /nfs/dbraw/zinc/70/44/45/392704445.db2.gz VRJUWVMOORQWFM-KRWDZBQOSA-N 1 0 297.398 3.431 20 10 CGCDRO CCCN(Cc1cnn(C(C)C)c1)c1ccc(C[NH3+])cc1 ZINC000194980578 392949329 /nfs/dbraw/zinc/94/93/29/392949329.db2.gz JMDRHRLXRXMHBX-UHFFFAOYSA-N 1 0 286.423 3.339 20 10 CGCDRO CC[C@@H]([NH2+][C@H]1CC[C@@H](CO)CC1)c1ccc(N(C)C)cc1 ZINC000120213585 286932367 /nfs/dbraw/zinc/93/23/67/286932367.db2.gz VYZNBSMWFPBJMR-QGPMSJSTSA-N 1 0 290.451 3.344 20 10 CGCDRO CC(C)C[C@H](C[NH2+][C@@H](C)c1ccccc1O)N(C)C ZINC000020201336 171065790 /nfs/dbraw/zinc/06/57/90/171065790.db2.gz WLZLBTBDEKFFDD-UONOGXRCSA-N 1 0 264.413 3.019 20 10 CGCDRO Cc1nc(C)c(C[NH2+]Cc2ccc(N(C)C)cc2)s1 ZINC000076865396 260166780 /nfs/dbraw/zinc/16/67/80/260166780.db2.gz XAQYUERMFUDCCN-UHFFFAOYSA-N 1 0 275.421 3.116 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](COC)C2CC2)cc1 ZINC000090718003 260466848 /nfs/dbraw/zinc/46/68/48/260466848.db2.gz QVXWXRJSUIEMNW-DYVFJYSZSA-N 1 0 276.424 3.218 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1O)c1ccccc1O ZINC000156300159 261119079 /nfs/dbraw/zinc/11/90/79/261119079.db2.gz HPSWWFAKVXVDPH-RYQLBKOJSA-N 1 0 283.371 3.091 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCO[C@H](C3CC3)C2)c1 ZINC000157650227 261149983 /nfs/dbraw/zinc/14/99/83/261149983.db2.gz FTMGZAVWFCJSOX-QEORTHHSSA-N 1 0 275.392 3.309 20 10 CGCDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1ccc(N(C)C)cc1 ZINC000161938090 261264029 /nfs/dbraw/zinc/26/40/29/261264029.db2.gz YEMQAFSMEWYGIL-SJWGOKEGSA-N 1 0 288.435 3.217 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)c1cnn(C)c1)c1ccc(N(C)C)cc1 ZINC000163890777 261333862 /nfs/dbraw/zinc/33/38/62/261333862.db2.gz KEAWBXBTXAPNNU-DYVFJYSZSA-N 1 0 286.423 3.288 20 10 CGCDRO CC[S@@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2ccccc2O)C1 ZINC000183545806 261979260 /nfs/dbraw/zinc/97/92/60/261979260.db2.gz MARLRKHLIAMPGT-LKWXMQFFSA-N 1 0 295.448 3.123 20 10 CGCDRO C[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1ccc(F)cc1[O-] ZINC000184944471 262035188 /nfs/dbraw/zinc/03/51/88/262035188.db2.gz QECMIIFZNDSZLA-MGPLVRAMSA-N 1 0 293.313 3.055 20 10 CGCDRO Cc1c([C@H](C)[NH2+][C@H](C)c2cc(Cl)ccc2O)cnn1C ZINC000185001793 262036772 /nfs/dbraw/zinc/03/67/72/262036772.db2.gz CWOJLBSJIFATIF-ZJUUUORDSA-N 1 0 293.798 3.499 20 10 CGCDRO Cc1nccn1C[C@@H](C)C[NH2+][C@H](C)c1cc(C)ccc1O ZINC000185346367 262051594 /nfs/dbraw/zinc/05/15/94/262051594.db2.gz CLSVSZDIUZRECC-UONOGXRCSA-N 1 0 287.407 3.192 20 10 CGCDRO CCC[C@H](O)C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000185436930 262054239 /nfs/dbraw/zinc/05/42/39/262054239.db2.gz WKIMAYFMAUBRDA-WFASDCNBSA-N 1 0 277.408 3.083 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@](C)(O)c2ccccc2)c1 ZINC000185453997 262055149 /nfs/dbraw/zinc/05/51/49/262055149.db2.gz IWSQXPQSUHYEHP-KBXCAEBGSA-N 1 0 285.387 3.259 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2[C@@H]3CCO[C@@H]3C2(C)C)c1 ZINC000185534358 262058653 /nfs/dbraw/zinc/05/86/53/262058653.db2.gz SMRXICIKOSKXSY-KNPMLCFXSA-N 1 0 275.392 3.165 20 10 CGCDRO CC[C@@H](CCO)C[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000185677273 262065671 /nfs/dbraw/zinc/06/56/71/262065671.db2.gz TXTMDNOVTNWOMQ-KGLIPLIRSA-N 1 0 291.435 3.330 20 10 CGCDRO CCOCCC1(C[NH2+][C@@H](C)c2cc(OC)ccc2O)CC1 ZINC000186155332 262082076 /nfs/dbraw/zinc/08/20/76/262082076.db2.gz ZJSGSVASIFFNSK-ZDUSSCGKSA-N 1 0 293.407 3.258 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCSC2)cc1 ZINC000230704700 264536881 /nfs/dbraw/zinc/53/68/81/264536881.db2.gz UEIQYUAYSPDVRG-AWEZNQCLSA-N 1 0 264.438 3.128 20 10 CGCDRO CCSCC[C@H](C)[NH2+]Cc1cccc(OC)c1O ZINC000135296358 264567620 /nfs/dbraw/zinc/56/76/20/264567620.db2.gz JCASQVGOBAKUAM-NSHDSACASA-N 1 0 269.410 3.022 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCCc3n[nH]cc32)cc1 ZINC000367604840 267104399 /nfs/dbraw/zinc/10/43/99/267104399.db2.gz DIPZOFINVVUBJN-QGZVFWFLSA-N 1 0 298.434 3.423 20 10 CGCDRO COCC[C@@H]([NH2+][C@H]1CCc2cccc(O)c21)c1ccco1 ZINC000296427159 277236509 /nfs/dbraw/zinc/23/65/09/277236509.db2.gz LTTWCQHFGYLQCP-KGLIPLIRSA-N 1 0 287.359 3.340 20 10 CGCDRO Cc1cccc(CCC[NH2+][C@H]2CCc3cccc(O)c32)n1 ZINC000297279814 281215106 /nfs/dbraw/zinc/21/51/06/281215106.db2.gz LFJNVSINARZLDW-INIZCTEOSA-N 1 0 282.387 3.305 20 10 CGCDRO Cc1cccc(C[NH2+][C@H]2CCc3c2cccc3O)c1O ZINC000271877933 281219241 /nfs/dbraw/zinc/21/92/41/281219241.db2.gz OOMWAMSCVYLYDT-HNNXBMFYSA-N 1 0 269.344 3.183 20 10 CGCDRO CCOc1cccc(C[NH2+][C@H]2CC(C)(C)OC2(C)C)c1O ZINC000180368663 327805151 /nfs/dbraw/zinc/80/51/51/327805151.db2.gz PNDUJMAOWYXVBN-AWEZNQCLSA-N 1 0 293.407 3.227 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1O)c1ccc(N(C)C)cc1 ZINC000186793258 327854608 /nfs/dbraw/zinc/85/46/08/327854608.db2.gz FKVIPMFXOJRUIO-BRWVUGGUSA-N 1 0 276.424 3.097 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCO[C@@H](C)C2)c(O)c1 ZINC000273472179 327916418 /nfs/dbraw/zinc/91/64/18/327916418.db2.gz JWKOVUZHGRQYRB-MELADBBJSA-N 1 0 263.381 3.166 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)c1nnc(C)s1)c1ccccc1O ZINC000274793723 328010925 /nfs/dbraw/zinc/01/09/25/328010925.db2.gz SOXBSBKMEYFEHX-SKDRFNHKSA-N 1 0 277.393 3.354 20 10 CGCDRO C[C@H](O)CCC[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000278958686 328232311 /nfs/dbraw/zinc/23/23/11/328232311.db2.gz BEKFHRFUHKIRBU-STQMWFEESA-N 1 0 277.408 3.083 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@@H](CCO)C(C)(C)C)c(O)c1 ZINC000290845115 328260537 /nfs/dbraw/zinc/26/05/37/328260537.db2.gz JFHBPYDGCVIQOH-INIZCTEOSA-N 1 0 295.423 3.068 20 10 CGCDRO Oc1ccccc1C[NH+]1CCC(n2cc(Cl)cn2)CC1 ZINC000378564167 329054958 /nfs/dbraw/zinc/05/49/58/329054958.db2.gz NIJYHBBVXXGUPA-UHFFFAOYSA-N 1 0 291.782 3.079 20 10 CGCDRO COc1cccc(C[NH2+][C@@H]2CCOc3c(C)cccc32)c1O ZINC000188873101 329374143 /nfs/dbraw/zinc/37/41/43/329374143.db2.gz CYFPQBWEBVVXHT-OAHLLOKOSA-N 1 0 299.370 3.323 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@@H]1C[C@H]1C1CC1 ZINC000527651010 330271994 /nfs/dbraw/zinc/27/19/94/330271994.db2.gz DEDCLAJSVBMXKW-RLCCDNCMSA-N 1 0 257.377 3.146 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CC[C@@H]2CCCOC2)c(Cl)c1 ZINC000527739609 330282650 /nfs/dbraw/zinc/28/26/50/330282650.db2.gz PFZOTAMQUFKFSL-LBPRGKRZSA-N 1 0 283.799 3.260 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2cccnc2C)c1 ZINC000527984712 330298532 /nfs/dbraw/zinc/29/85/32/330298532.db2.gz DDWNFQCQTYEGJQ-ZDUSSCGKSA-N 1 0 256.349 3.255 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]Cc2cccnc2C)c(O)c1 ZINC000527989106 330298952 /nfs/dbraw/zinc/29/89/52/330298952.db2.gz WQFBDLMQUYLVQI-ZDUSSCGKSA-N 1 0 256.349 3.255 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2C[C@]2(C)OC(C)C)c1 ZINC000528008961 330303757 /nfs/dbraw/zinc/30/37/57/330303757.db2.gz UNIBXHBJWGQAHF-XZJROXQQSA-N 1 0 279.380 3.007 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1CCN1C1CCCC1)c1ccccc1O ZINC000528012155 330304013 /nfs/dbraw/zinc/30/40/13/330304013.db2.gz OJLTWYIYAMYHBO-HIFRSBDPSA-N 1 0 274.408 3.060 20 10 CGCDRO Cc1nc(CC[NH2+][C@H](C)c2ccc(C)cc2O)cs1 ZINC000230658488 333319745 /nfs/dbraw/zinc/31/97/45/333319745.db2.gz WTWUDNLFYVMWCZ-LLVKDONJSA-N 1 0 276.405 3.359 20 10 CGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1CSC[C@@H]1C ZINC000397811247 333429011 /nfs/dbraw/zinc/42/90/11/333429011.db2.gz YWIRLMMDYUZCAP-SMDDNHRTSA-N 1 0 274.433 3.328 20 10 CGCDRO CC[C@@H](N[C@H]1CC[NH2+]C12CCC2)c1cc(Cl)ccc1O ZINC000530215232 333528262 /nfs/dbraw/zinc/52/82/62/333528262.db2.gz FNWKGGWXPGNTHS-HIFRSBDPSA-N 1 0 294.826 3.371 20 10 CGCDRO COc1cccc(C[NH2+][C@@H](C)c2ncc(C)s2)c1O ZINC000134907045 334107776 /nfs/dbraw/zinc/10/77/76/334107776.db2.gz XNGZUOQJOTWGER-JTQLQIEISA-N 1 0 278.377 3.017 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCSC2)cc1 ZINC000271542945 500681033 /nfs/dbraw/zinc/68/10/33/500681033.db2.gz UPMKDEXZRKOXCX-GXTWGEPZSA-N 1 0 264.438 3.299 20 10 CGCDRO CCOC[C@@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000126579312 520118306 /nfs/dbraw/zinc/11/83/06/520118306.db2.gz YNQGSPBFHBZHAQ-GFCCVEGCSA-N 1 0 283.799 3.294 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](O)C[C@@H]2C)cc1F ZINC000292885548 520895707 /nfs/dbraw/zinc/89/57/07/520895707.db2.gz YEZGYDNAOGLPSB-ZFWWWQNUSA-N 1 0 294.414 3.017 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CCc2nccs2)cc1 ZINC000060230003 520905985 /nfs/dbraw/zinc/90/59/85/520905985.db2.gz DNHVJSNLKOITKC-UHFFFAOYSA-N 1 0 289.448 3.322 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)c1 ZINC000127459186 521143201 /nfs/dbraw/zinc/14/32/01/521143201.db2.gz KHHFCTMCORUTLK-MRXNPFEDSA-N 1 0 286.375 3.456 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H](C)CCc2ccco2)c1O ZINC000020144764 521367805 /nfs/dbraw/zinc/36/78/05/521367805.db2.gz CFPWKBZSHKMQEC-ZDUSSCGKSA-N 1 0 289.375 3.495 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H](C)c2cccnc2)c1O ZINC000020127593 521371576 /nfs/dbraw/zinc/37/15/76/521371576.db2.gz UZMNKNCWMOLCJF-LBPRGKRZSA-N 1 0 272.348 3.037 20 10 CGCDRO COc1cc(Cl)cc(C[N@H+](C)CC(C)C)c1O ZINC000228591635 522535446 /nfs/dbraw/zinc/53/54/46/522535446.db2.gz VZSUEJWYXJGCIQ-UHFFFAOYSA-N 1 0 257.761 3.142 20 10 CGCDRO CC[C@H]([NH2+]CCCn1ccnc1)c1ccc(C)cc1O ZINC000280106469 522590384 /nfs/dbraw/zinc/59/03/84/522590384.db2.gz NLRSPZIMOVXIDA-HNNXBMFYSA-N 1 0 273.380 3.028 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](O)Cc1ccccc1)c1ccc(C)cc1O ZINC000280079188 522612442 /nfs/dbraw/zinc/61/24/42/522612442.db2.gz LQKWIMSGZGRWJM-WMZOPIPTSA-N 1 0 299.414 3.345 20 10 CGCDRO CC[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccccc1 ZINC000051627256 522642257 /nfs/dbraw/zinc/64/22/57/522642257.db2.gz PYZVBUTZWNKDKQ-AWEZNQCLSA-N 1 0 285.343 3.362 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H]1CCCCO1)c1ccc(C)cc1O ZINC000280262214 522853175 /nfs/dbraw/zinc/85/31/75/522853175.db2.gz XHSALRLAAFKGRB-DZGCQCFKSA-N 1 0 263.381 3.310 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H](CC)OC)c1ccc(C)cc1O ZINC000290216681 522861682 /nfs/dbraw/zinc/86/16/82/522861682.db2.gz QLSDIRNGNDRCOR-GXTWGEPZSA-N 1 0 251.370 3.166 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](CO)CC(C)(C)C)c1ccccc1O ZINC000156814411 522920481 /nfs/dbraw/zinc/92/04/81/522920481.db2.gz VRRAQJDFNQKKPE-TZMCWYRMSA-N 1 0 265.397 3.230 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1CC[C@H](C(=O)OC)C1)c1ccc(C)cc1O ZINC000280243595 522927475 /nfs/dbraw/zinc/92/74/75/522927475.db2.gz WDWUKNRGHOXSSU-GZBFAFLISA-N 1 0 291.391 3.083 20 10 CGCDRO CO[C@H](C[NH2+][C@@H](C)c1ccc(C)c(C)c1O)C(C)C ZINC000273566845 523953409 /nfs/dbraw/zinc/95/34/09/523953409.db2.gz JTPWSUZBCCPOHO-DZGCQCFKSA-N 1 0 265.397 3.331 20 10 CGCDRO C[C@H](C[NH2+]Cc1cc2c(cc1O)OCO2)c1ccccc1 ZINC000042879488 524486552 /nfs/dbraw/zinc/48/65/52/524486552.db2.gz WKRNQOAWAJEUMS-GFCCVEGCSA-N 1 0 285.343 3.014 20 10 CGCDRO Cc1cc(C[N@H+](C[C@H]2CCOC2)C2CC2)ccc1N(C)C ZINC000293414720 524667297 /nfs/dbraw/zinc/66/72/97/524667297.db2.gz IHIGWFVWABFNEW-MRXNPFEDSA-N 1 0 288.435 3.062 20 10 CGCDRO Cc1cc(O)c(C[N@@H+](C(C)C)[C@@H]2CCOC2)cc1C ZINC000291041341 525312200 /nfs/dbraw/zinc/31/22/00/525312200.db2.gz GDJSAIGAMULKOT-OAHLLOKOSA-N 1 0 263.381 3.008 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2cn3ccsc3n2)c1 ZINC000273401735 525364606 /nfs/dbraw/zinc/36/46/06/525364606.db2.gz NFWXXIBXFOCKNO-NSHDSACASA-N 1 0 287.388 3.261 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2cccc3c2OCO3)c1 ZINC000040667139 525364939 /nfs/dbraw/zinc/36/49/39/525364939.db2.gz AYQXCQZVLLIOGG-LBPRGKRZSA-N 1 0 285.343 3.280 20 10 CGCDRO C[C@@H]([NH2+]CCc1nccs1)c1ccc(N(C)C)cc1 ZINC000063133791 525467446 /nfs/dbraw/zinc/46/74/46/525467446.db2.gz DXUWMZGULMHKHI-GFCCVEGCSA-N 1 0 275.421 3.102 20 10 CGCDRO C[C@H]([NH2+][C@@H](CO)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000063000101 525543553 /nfs/dbraw/zinc/54/35/53/525543553.db2.gz OJIWTKXPHQMYST-KSSFIOAISA-N 1 0 284.403 3.137 20 10 CGCDRO C[C@@H]([NH2+][C@H]1COc2ccc(F)cc2C1)c1ccccc1O ZINC000290375418 525693485 /nfs/dbraw/zinc/69/34/85/525693485.db2.gz RLWZCFBVEDUXBR-BXUZGUMPSA-N 1 0 287.334 3.186 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCc2ccc(O)cc2)c(O)c1 ZINC000040735701 525727546 /nfs/dbraw/zinc/72/75/46/525727546.db2.gz LZXZEEXUFFVHBZ-CYBMUJFWSA-N 1 0 271.360 3.300 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)N(C)C2CC2)c(O)c1C ZINC000273465157 525728210 /nfs/dbraw/zinc/72/82/10/525728210.db2.gz DOVMUGXJMIEQNO-TZMCWYRMSA-N 1 0 276.424 3.142 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCc3nccn3C2)c(O)c1C ZINC000278916582 525730639 /nfs/dbraw/zinc/73/06/39/525730639.db2.gz HJUAIIOBOJUHOS-HUUCEWRRSA-N 1 0 299.418 3.119 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ncccc2N(C)C)c(O)c1C ZINC000289625813 525931140 /nfs/dbraw/zinc/93/11/40/525931140.db2.gz DYEZKPGIJUBAIA-AWEZNQCLSA-N 1 0 299.418 3.321 20 10 CGCDRO COc1cccc(C[NH2+]CCCOC2CCCCC2)c1O ZINC000020191460 526014272 /nfs/dbraw/zinc/01/42/72/526014272.db2.gz GRLARRSVHKMWTF-UHFFFAOYSA-N 1 0 293.407 3.230 20 10 CGCDRO C[C@H](c1ccccc1)[N@@H+](Cc1ccccc1O)C[C@H](C)O ZINC000249543245 526094540 /nfs/dbraw/zinc/09/45/40/526094540.db2.gz JTUPAVJKOIFPKH-LSDHHAIUSA-N 1 0 285.387 3.336 20 10 CGCDRO Cc1noc(C)c1C[C@H](C)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297883420 526537624 /nfs/dbraw/zinc/53/76/24/526537624.db2.gz VDRXPRXRFKVRIE-ZUZCIYMTSA-N 1 0 286.375 3.205 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccncc1 ZINC000742372231 572350942 /nfs/dbraw/zinc/35/09/42/572350942.db2.gz JUZVGNRBGUJYPN-KRWDZBQOSA-N 1 0 269.392 3.389 20 10 CGCDRO CCCC(O)(CCC)C[NH2+]Cc1c(O)cccc1Cl ZINC000738436404 572375262 /nfs/dbraw/zinc/37/52/62/572375262.db2.gz VJYHTGFYQRQCDW-UHFFFAOYSA-N 1 0 285.815 3.467 20 10 CGCDRO COc1cccc(O)c1C[NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000725847286 572439755 /nfs/dbraw/zinc/43/97/55/572439755.db2.gz YMKYLSHFYOWSOU-WCQYABFASA-N 1 0 287.359 3.407 20 10 CGCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]CCn1cccn1 ZINC000725847686 572440362 /nfs/dbraw/zinc/44/03/62/572440362.db2.gz QFSSSIVXFASSHN-UHFFFAOYSA-N 1 0 293.370 3.046 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CCOC2CCC2)cc1F ZINC000742385836 572574205 /nfs/dbraw/zinc/57/42/05/572574205.db2.gz XYGGCSYOKCWJNJ-UHFFFAOYSA-N 1 0 294.414 3.331 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2CCOC[C@@H]2CC(C)C)cc1C ZINC000733789041 572604726 /nfs/dbraw/zinc/60/47/26/572604726.db2.gz KLUHVAOVNTZSGH-INIZCTEOSA-N 1 0 277.408 3.256 20 10 CGCDRO CO[C@]1(C)C[C@@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)C1(C)C ZINC000744448705 572753699 /nfs/dbraw/zinc/75/36/99/572753699.db2.gz MXNPXGDZBDZVLQ-NVXWUHKLSA-N 1 0 294.414 3.185 20 10 CGCDRO CCC(CC)[C@@H](CC[NH2+]Cc1c(O)cccc1OC)OC ZINC000746762535 572894792 /nfs/dbraw/zinc/89/47/92/572894792.db2.gz XKFVXPJFXUGPSI-MRXNPFEDSA-N 1 0 295.423 3.332 20 10 CGCDRO COc1cc(O)c(C[NH+]2C[C@@H]3CCCC[C@H]3C2)cc1OC ZINC000160367480 618024391 /nfs/dbraw/zinc/02/43/91/618024391.db2.gz RGZONUBCNUKFIR-STQMWFEESA-N 1 0 291.391 3.031 20 10 CGCDRO C[C@H]([NH2+]CC(C)(C)O)c1ccc(N2CCCCC2)cc1 ZINC000160582379 618098103 /nfs/dbraw/zinc/09/81/03/618098103.db2.gz IGRSZRWEBHKCLR-AWEZNQCLSA-N 1 0 276.424 3.098 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(C2CC2)C2CC2)c1 ZINC000088455472 618125129 /nfs/dbraw/zinc/12/51/29/618125129.db2.gz IGIIWXUUPUXPLF-NSHDSACASA-N 1 0 275.392 3.488 20 10 CGCDRO COc1ccc(C[N@@H+]2CCC[C@H]2C2CCC2)c(O)c1OC ZINC000891870240 618351072 /nfs/dbraw/zinc/35/10/72/618351072.db2.gz QFGJIFMBNURGQO-AWEZNQCLSA-N 1 0 291.391 3.174 20 10 CGCDRO CCOC[C@H](C)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000044690179 618615143 /nfs/dbraw/zinc/61/51/43/618615143.db2.gz WUNSDAFRPUEAIM-HNNXBMFYSA-N 1 0 276.424 3.192 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2C[C@H](C)C[C@@H](C)[C@@H]2C)c1 ZINC000168243513 618728788 /nfs/dbraw/zinc/72/87/88/618728788.db2.gz TZLUVMYZLJLWSK-UPJWGTAASA-N 1 0 263.381 3.267 20 10 CGCDRO CC(C)(C[NH2+][C@H]1CCc2cccc(O)c21)OCC1CC1 ZINC000840874969 618746285 /nfs/dbraw/zinc/74/62/85/618746285.db2.gz BMQDMEGANDRQQE-AWEZNQCLSA-N 1 0 275.392 3.174 20 10 CGCDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2ccccc2O)C12CCC2 ZINC000179586602 618795691 /nfs/dbraw/zinc/79/56/91/618795691.db2.gz IHNKQWUZKGCCAZ-HZPDHXFCSA-N 1 0 275.392 3.172 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000179569539 618796170 /nfs/dbraw/zinc/79/61/70/618796170.db2.gz CANVUZVWZMIOLO-OAHLLOKOSA-N 1 0 297.354 3.458 20 10 CGCDRO CC1(C[NH2+]Cc2ccc(N3CCOCC3)cc2)CCCC1 ZINC000066594393 618858485 /nfs/dbraw/zinc/85/84/85/618858485.db2.gz GDQSLBCCPAJWAR-UHFFFAOYSA-N 1 0 288.435 3.193 20 10 CGCDRO COC1([C@@H](C)[NH2+][C@@H](C)c2ccc(C)cc2O)CCC1 ZINC000840883526 618868590 /nfs/dbraw/zinc/86/85/90/618868590.db2.gz DUVPOBDCKPNQME-QWHCGFSZSA-N 1 0 263.381 3.309 20 10 CGCDRO Cc1nn(C(C)C)c(C)c1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000892794360 618937305 /nfs/dbraw/zinc/93/73/05/618937305.db2.gz SJJPDAIGHRLRJL-UHFFFAOYSA-N 1 0 299.418 3.306 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](CO)C2)cc1 ZINC000840895699 618966950 /nfs/dbraw/zinc/96/69/50/618966950.db2.gz SIENMHBYSDXVIM-ZMSDIMECSA-N 1 0 290.451 3.344 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](C)C2CCCC2)c(O)c1OC ZINC000892969833 618967357 /nfs/dbraw/zinc/96/73/57/618967357.db2.gz WEXPFYBROIHOFF-NSHDSACASA-N 1 0 279.380 3.078 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](C)C2CCCCC2)c(O)c1OC ZINC000893028002 618980338 /nfs/dbraw/zinc/98/03/38/618980338.db2.gz BSOALWCNTXWXBS-LBPRGKRZSA-N 1 0 293.407 3.468 20 10 CGCDRO c1cc(C[NH2+][C@H]2CC3CCC2CC3)cc2c1OCC2 ZINC000312068285 619018649 /nfs/dbraw/zinc/01/86/49/619018649.db2.gz GHOMXBGIDLDQGQ-PXCJXSSVSA-N 1 0 257.377 3.290 20 10 CGCDRO COc1cc(Cl)cc(C[NH+]2CCC(C)CC2)c1O ZINC000184672398 619054171 /nfs/dbraw/zinc/05/41/71/619054171.db2.gz ABPRNUNKBRSUQD-UHFFFAOYSA-N 1 0 269.772 3.286 20 10 CGCDRO Cc1cc(Cl)cc(C[N@H+]2C[C@H](C)OC(C)(C)C2)c1O ZINC000775663025 619084504 /nfs/dbraw/zinc/08/45/04/619084504.db2.gz YJPOREMLKKWWHP-NSHDSACASA-N 1 0 283.799 3.353 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2cc(Cl)ccc2O)nc1C ZINC000313965795 619206410 /nfs/dbraw/zinc/20/64/10/619206410.db2.gz SFSQVGZODFZSQP-UHFFFAOYSA-N 1 0 276.767 3.347 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2COc3ccccc3C2)c1 ZINC000185224160 619222509 /nfs/dbraw/zinc/22/25/09/619222509.db2.gz HCJXHNOJTNSTEA-UKRRQHHQSA-N 1 0 283.371 3.355 20 10 CGCDRO COCC[C@H](C)C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000840955641 619263110 /nfs/dbraw/zinc/26/31/10/619263110.db2.gz UDGQNPXGRBWVLF-INIZCTEOSA-N 1 0 290.451 3.439 20 10 CGCDRO Cc1cccc(C[N@@H+]2C[C@@H](O)C[C@H]2c2ccccc2)c1O ZINC000840956790 619268897 /nfs/dbraw/zinc/26/88/97/619268897.db2.gz FAGFSGQDNKKFOH-IRXDYDNUSA-N 1 0 283.371 3.009 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CC(C)(C)OCC2CC2)cc1F ZINC000840960886 619280509 /nfs/dbraw/zinc/28/05/09/619280509.db2.gz XBSFOCUYRUSLKC-UHFFFAOYSA-N 1 0 294.414 3.187 20 10 CGCDRO CCOc1cccc(C[NH2+]C2CCC(COC)CC2)c1O ZINC000840964116 619283434 /nfs/dbraw/zinc/28/34/34/619283434.db2.gz XRRVUNVDFLQKGV-UHFFFAOYSA-N 1 0 293.407 3.086 20 10 CGCDRO C[C@H](C[NH2+][C@@H](C)c1cc(F)ccc1O)N1CCCCC1 ZINC000094617754 619285684 /nfs/dbraw/zinc/28/56/84/619285684.db2.gz YTNJYCQPXPJRSQ-OLZOCXBDSA-N 1 0 280.387 3.056 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1nccs1 ZINC000840977503 619309126 /nfs/dbraw/zinc/30/91/26/619309126.db2.gz UXWDSYXNPNJCCE-ZDUSSCGKSA-N 1 0 289.448 3.238 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@](C)(O)C(C)C)cc1F ZINC000236908237 619371311 /nfs/dbraw/zinc/37/13/11/619371311.db2.gz HPFAHABSKWBQMA-QGZVFWFLSA-N 1 0 296.430 3.169 20 10 CGCDRO COc1cc(C)cc(C[NH2+]CCCOC2CCCC2)c1O ZINC000894211190 619426530 /nfs/dbraw/zinc/42/65/30/619426530.db2.gz NVBXWAIZYKSFAX-UHFFFAOYSA-N 1 0 293.407 3.148 20 10 CGCDRO COc1cc(C)cc(C[N@H+](C)[C@@H](C)c2ccccn2)c1O ZINC000894423094 619530479 /nfs/dbraw/zinc/53/04/79/619530479.db2.gz OLOORSIWNAJRBM-ZDUSSCGKSA-N 1 0 286.375 3.297 20 10 CGCDRO COc1cccc(C[NH2+]C2C[C@H]3CCC[C@@H]3C2)c1O ZINC000894457827 619543515 /nfs/dbraw/zinc/54/35/15/619543515.db2.gz IQSIMMFSTONFQO-VXGBXAGGSA-N 1 0 261.365 3.069 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@](C)(OC)CC2)c1O ZINC000894617136 619590100 /nfs/dbraw/zinc/59/01/00/619590100.db2.gz BCSNCPOMTLCWND-QGZVFWFLSA-N 1 0 293.407 3.100 20 10 CGCDRO C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)c1cc2c(cc1O)CCCC2 ZINC000185460311 625361764 /nfs/dbraw/zinc/36/17/64/625361764.db2.gz NNJKDCWGZTXYEK-XBLNEZIDSA-N 1 0 287.403 3.242 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@@]2(C)CC=CCC2)c1O ZINC000894983369 619692156 /nfs/dbraw/zinc/69/21/56/619692156.db2.gz CJONBRCEJZTUGW-INIZCTEOSA-N 1 0 261.365 3.298 20 10 CGCDRO CC1(C)CC2(CC([NH2+]Cc3cc(Cl)ccc3O)C2)CO1 ZINC000895156724 619759315 /nfs/dbraw/zinc/75/93/15/619759315.db2.gz ZMRYFKYHMGOXGK-UHFFFAOYSA-N 1 0 295.810 3.483 20 10 CGCDRO CC[C@@H](COCC1CC1)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000895230911 619786547 /nfs/dbraw/zinc/78/65/47/619786547.db2.gz NXNAKKXZKPBFNS-HNNXBMFYSA-N 1 0 293.407 3.004 20 10 CGCDRO CC[C@](C)([NH2+]Cc1ccc(OC)c(OC)c1O)C1CC1 ZINC000895397045 619821335 /nfs/dbraw/zinc/82/13/35/619821335.db2.gz VOZWEYVRWHMMII-INIZCTEOSA-N 1 0 279.380 3.078 20 10 CGCDRO Cc1cccc(C[N@@H+]2CC[C@@H](c3nccs3)C2)c1O ZINC000895580640 619855533 /nfs/dbraw/zinc/85/55/33/619855533.db2.gz IFEWHSOXKFSJIX-CYBMUJFWSA-N 1 0 274.389 3.147 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2C[C@@H]3CSC[C@@H]3C2)cc1Cl ZINC000895777011 619883903 /nfs/dbraw/zinc/88/39/03/619883903.db2.gz OMYPEKFCOWSNEZ-TXEJJXNPSA-N 1 0 283.824 3.149 20 10 CGCDRO Oc1ccc(F)cc1CN[C@@H]1c2ccccc2OC[C@@H]1F ZINC000896423491 620006962 /nfs/dbraw/zinc/00/69/62/620006962.db2.gz SHLYDGFZJLCDHQ-XJKSGUPXSA-N 1 0 291.297 3.093 20 10 CGCDRO COc1ccc(O)c(C[NH+]2CCC(F)(C3CC3)CC2)c1 ZINC000896946286 620110805 /nfs/dbraw/zinc/11/08/05/620110805.db2.gz PHJYMAHAROUGEN-UHFFFAOYSA-N 1 0 279.355 3.115 20 10 CGCDRO Cc1cccc(C[NH2+]CC[C@@H]2OCCc3ccccc32)c1O ZINC000897235608 620167885 /nfs/dbraw/zinc/16/78/85/620167885.db2.gz ZUMJZCCUPKMXNU-SFHVURJKSA-N 1 0 297.398 3.494 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H]1CC[N@H+](CC)C1)c1ccc(N(C)C)cc1 ZINC000163264526 620210474 /nfs/dbraw/zinc/21/04/74/620210474.db2.gz CBBSQMSMCWQQHP-YJBOKZPZSA-N 1 0 289.467 3.135 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCc3ccccc3C2)cc1 ZINC000034992652 620214661 /nfs/dbraw/zinc/21/46/61/620214661.db2.gz RTQNNOVNNKPIAC-SFHVURJKSA-N 1 0 280.415 3.400 20 10 CGCDRO CC1=C[C@@H](C)C[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000797604373 620219740 /nfs/dbraw/zinc/21/97/40/620219740.db2.gz DXNKULPTIWZFIZ-GFCCVEGCSA-N 1 0 262.372 3.290 20 10 CGCDRO C[C@@H]1C[NH+](Cc2cc(C(C)(C)C)cc(O)c2O)C[C@H]1C ZINC000751929226 620252416 /nfs/dbraw/zinc/25/24/16/620252416.db2.gz PCHLWKBDXNAGOU-VXGBXAGGSA-N 1 0 277.408 3.483 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(Cl)cc1[O-] ZINC000841745100 620351263 /nfs/dbraw/zinc/35/12/63/620351263.db2.gz NFKUIIUOAGJEEF-VXGBXAGGSA-N 1 0 294.826 3.181 20 10 CGCDRO C[C@H]([NH2+]CCC(=O)OC(C)(C)C)c1ccc(Cl)cc1O ZINC000841753567 620390223 /nfs/dbraw/zinc/39/02/23/620390223.db2.gz DYGANWHWYQLKEI-JTQLQIEISA-N 1 0 299.798 3.428 20 10 CGCDRO C[C@@H](CCc1ccccc1)[NH2+]CCc1ccc(N)cc1 ZINC000841034049 620414953 /nfs/dbraw/zinc/41/49/53/620414953.db2.gz FVKKVFROKKEDBL-HNNXBMFYSA-N 1 0 268.404 3.422 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2CCCC3(CC3)C2)c(O)c1OC ZINC000897768854 620426125 /nfs/dbraw/zinc/42/61/25/620426125.db2.gz AYMNAOODFGOMPQ-ZDUSSCGKSA-N 1 0 291.391 3.222 20 10 CGCDRO Cc1cccc(C[NH2+][C@H]2CCOC23CCCCC3)c1O ZINC000897729180 620428135 /nfs/dbraw/zinc/42/81/35/620428135.db2.gz UMGFHQUJSAPEJE-HNNXBMFYSA-N 1 0 275.392 3.282 20 10 CGCDRO COc1cccc(C[NH2+][C@H]2CCSC(C)(C)C2)c1O ZINC000897798953 620434354 /nfs/dbraw/zinc/43/43/54/620434354.db2.gz AGKMIONQZCFRKV-LBPRGKRZSA-N 1 0 281.421 3.165 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@H](C)c2cncs2)c1O ZINC000897931412 620447714 /nfs/dbraw/zinc/44/77/14/620447714.db2.gz YZICYDKRAKAMKB-SNVBAGLBSA-N 1 0 278.377 3.017 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+][C@@H](C)c2cncs2)c1O ZINC000897932009 620447853 /nfs/dbraw/zinc/44/78/53/620447853.db2.gz HPTBTFCGIYSUBU-QMMMGPOBSA-N 1 0 298.795 3.362 20 10 CGCDRO Oc1ccccc1C[NH2+]CC[C@H]1CCC(F)(F)C1 ZINC000898019863 620467444 /nfs/dbraw/zinc/46/74/44/620467444.db2.gz UPRCLZJAANUSPT-LLVKDONJSA-N 1 0 255.308 3.307 20 10 CGCDRO Cc1ncccc1CC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000898249585 620497026 /nfs/dbraw/zinc/49/70/26/620497026.db2.gz AUAUEKSAUNDNNP-UHFFFAOYSA-N 1 0 282.387 3.047 20 10 CGCDRO CCC[C@H](O)CC[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000927013808 620560825 /nfs/dbraw/zinc/56/08/25/620560825.db2.gz ACQXXZPKJZIOAN-KBPBESRZSA-N 1 0 265.397 3.211 20 10 CGCDRO COc1ccc(N2CCC([NH2+]C/C=C/Cl)CC2)cc1 ZINC000898431908 620586954 /nfs/dbraw/zinc/58/69/54/620586954.db2.gz CXVKZBBZEWLFFR-XNWCZRBMSA-N 1 0 280.799 3.006 20 10 CGCDRO CCNc1ccccc1C[NH2+]Cc1cc(OC)ccc1O ZINC000902242284 621218884 /nfs/dbraw/zinc/21/88/84/621218884.db2.gz BWAAZPAWUWBEBC-UHFFFAOYSA-N 1 0 286.375 3.122 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1N)c1ccc(C)cc1O ZINC000902429891 621315344 /nfs/dbraw/zinc/31/53/44/621315344.db2.gz BDGRRSUTMYGXAO-YQVWRLOYSA-N 1 0 296.414 3.366 20 10 CGCDRO CO[C@H]1CC[C@@H]1[N@H+](C)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000902634851 621390237 /nfs/dbraw/zinc/39/02/37/621390237.db2.gz UDIJLUSQNGPHHY-ZFWWWQNUSA-N 1 0 293.407 3.005 20 10 CGCDRO Oc1ccccc1C[NH2+][C@H]1CCC[C@@H](C2CCOCC2)C1 ZINC000902787045 621445875 /nfs/dbraw/zinc/44/58/75/621445875.db2.gz VWBDCNYCOOBFPX-WBVHZDCISA-N 1 0 289.419 3.467 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc3c(c2)ncn3C)c1 ZINC000903204728 621626313 /nfs/dbraw/zinc/62/63/13/621626313.db2.gz VLDDZXRPTRJCEQ-CYBMUJFWSA-N 1 0 295.386 3.438 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](CO)CCc1ccccc1)c1ccccc1O ZINC000903293833 621662722 /nfs/dbraw/zinc/66/27/22/621662722.db2.gz YCMBTUMTXDDOIB-SJLPKXTDSA-N 1 0 299.414 3.427 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1ccc2ccccc2c1O ZINC000903287999 621670608 /nfs/dbraw/zinc/67/06/08/621670608.db2.gz UZXYFNMTYPKTFV-BFACEXSVSA-N 1 0 295.382 3.372 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCOc2ccc(C#N)cc2)c1 ZINC000186080088 625512427 /nfs/dbraw/zinc/51/24/27/625512427.db2.gz GBZSBXFKWSEFKP-CQSZACIVSA-N 1 0 296.370 3.302 20 10 CGCDRO C[C@@H]([NH2+]CC[C@@H](O)C1CC1)c1ccc2ccccc2c1O ZINC000903407085 621730963 /nfs/dbraw/zinc/73/09/63/621730963.db2.gz MMDVJTVAYHMXMD-SJKOYZFVSA-N 1 0 285.387 3.357 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CC[C@H](O)C2CC2)c1O ZINC000903407650 621731674 /nfs/dbraw/zinc/73/16/74/621731674.db2.gz PJLQIXNGSXPWDW-HZMBPMFUSA-N 1 0 283.799 3.166 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2COC[C@@H]2C2CC2)c1O ZINC000903440927 621749848 /nfs/dbraw/zinc/74/98/48/621749848.db2.gz VTOGLNUJBNVQMS-COLVAYQJSA-N 1 0 295.810 3.430 20 10 CGCDRO CC[C@@H](C)C[N@H+](CC)Cc1cccc(OC)c1O ZINC000156088314 622684141 /nfs/dbraw/zinc/68/41/41/622684141.db2.gz LDEOFLKSIUNLNO-GFCCVEGCSA-N 1 0 251.370 3.269 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H]2C2CCC2)c1O ZINC000164280518 622825268 /nfs/dbraw/zinc/82/52/68/622825268.db2.gz SLGNVJWBWWRLQD-OAHLLOKOSA-N 1 0 275.392 3.474 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@H]2C2CCC2)c1O ZINC000164280647 622828209 /nfs/dbraw/zinc/82/82/09/622828209.db2.gz SLGNVJWBWWRLQD-HNNXBMFYSA-N 1 0 275.392 3.474 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@H+]2CCS[C@H](C)[C@@H]2C)c1 ZINC000164345419 622829328 /nfs/dbraw/zinc/82/93/28/622829328.db2.gz CDRRZMIQHFHZDY-QWHCGFSZSA-N 1 0 265.422 3.335 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CCC3(CCCC3)C2)c1O ZINC000164424104 622835058 /nfs/dbraw/zinc/83/50/58/622835058.db2.gz AZUBTCPBYGSHCL-UHFFFAOYSA-N 1 0 275.392 3.475 20 10 CGCDRO C[C@H]([NH2+]CCCCn1ccnc1)c1ccc(N(C)C)cc1 ZINC000045106154 622842929 /nfs/dbraw/zinc/84/29/29/622842929.db2.gz LGAFFEAGBQIJJL-HNNXBMFYSA-N 1 0 286.423 3.080 20 10 CGCDRO CCCN(CC)CC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000156784920 622844011 /nfs/dbraw/zinc/84/40/11/622844011.db2.gz UWLXPBOCIKROOG-HNNXBMFYSA-N 1 0 277.456 3.135 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@H]2COCc3ccccc32)cc1 ZINC000225980810 622935810 /nfs/dbraw/zinc/93/58/10/622935810.db2.gz ZJCJINGVXGTLNU-SFHVURJKSA-N 1 0 282.387 3.114 20 10 CGCDRO C[C@H]1CCCC[C@H]1C[NH2+]Cc1cc(F)ccc1O ZINC000226586482 622985593 /nfs/dbraw/zinc/98/55/93/622985593.db2.gz AQKJSTUCCUUWNZ-RYUDHWBXSA-N 1 0 251.345 3.447 20 10 CGCDRO Oc1ccccc1C[N@H+](C[C@@H]1CCCO1)[C@H]1C=CCCC1 ZINC000171922972 623200608 /nfs/dbraw/zinc/20/06/08/623200608.db2.gz ZYGGNXSBADFOOT-IRXDYDNUSA-N 1 0 287.403 3.482 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CC(C)(C)N(C)C)cc1 ZINC000152598752 623692913 /nfs/dbraw/zinc/69/29/13/623692913.db2.gz KOLGFDNPKROJKR-AWEZNQCLSA-N 1 0 277.456 3.134 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@](C)(CO)C2CCCCC2)c1 ZINC000152767714 623710741 /nfs/dbraw/zinc/71/07/41/623710741.db2.gz IFMBVNOAYNTFJQ-KRWDZBQOSA-N 1 0 277.408 3.122 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCN(CC)CC)cc1 ZINC000152781137 623711587 /nfs/dbraw/zinc/71/15/87/623711587.db2.gz PSLKQXUSPHCJGG-HNNXBMFYSA-N 1 0 277.456 3.135 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1CCOC1(C)C)c1ccc(N(C)C)cc1 ZINC000834874465 623833724 /nfs/dbraw/zinc/83/37/24/623833724.db2.gz DSECXFKRGVGVGN-HZPDHXFCSA-N 1 0 276.424 3.361 20 10 CGCDRO CSCC[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000917074899 624233314 /nfs/dbraw/zinc/23/33/14/624233314.db2.gz KLUYOEMKJYNPQY-UHFFFAOYSA-N 1 0 266.454 3.326 20 10 CGCDRO C[C@H]([NH2+]Cc1cnn(-c2ccccc2)c1)c1ccccc1O ZINC000179902450 624693492 /nfs/dbraw/zinc/69/34/92/624693492.db2.gz OSFIULSLQZIANK-AWEZNQCLSA-N 1 0 293.370 3.429 20 10 CGCDRO COc1ccccc1CC[N@H+](C)Cc1cccc(C)c1O ZINC000180066313 624714693 /nfs/dbraw/zinc/71/46/93/624714693.db2.gz HOMVDUJVVSPYAD-UHFFFAOYSA-N 1 0 285.387 3.384 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](OCCC(C)C)C2)c1 ZINC000180295722 624733579 /nfs/dbraw/zinc/73/35/79/624733579.db2.gz LJTPRKSPBHXFQX-MRXNPFEDSA-N 1 0 293.407 3.038 20 10 CGCDRO Cc1ncsc1C[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000071212558 625065241 /nfs/dbraw/zinc/06/52/41/625065241.db2.gz DTAJAFWAGSPXBL-JTQLQIEISA-N 1 0 262.378 3.316 20 10 CGCDRO CO[C@]1(C)C[C@H]([NH2+][C@@H](C)c2ccccc2O)C1(C)C ZINC000183539663 625089591 /nfs/dbraw/zinc/08/95/91/625089591.db2.gz APQSITLUBSMSPQ-HZUKXOBISA-N 1 0 263.381 3.246 20 10 CGCDRO CC(C)CC[C@@](C)(O)C[NH2+][C@H](C)c1ccccc1O ZINC000183526482 625089673 /nfs/dbraw/zinc/08/96/73/625089673.db2.gz PLUIMHPVWNZIHJ-CZUORRHYSA-N 1 0 265.397 3.230 20 10 CGCDRO C[C@H]([NH2+][C@@H](C)[C@H](O)Cc1ccccc1)c1ccccc1O ZINC000183624876 625097203 /nfs/dbraw/zinc/09/72/03/625097203.db2.gz WODADCQSNWUURW-SUNYJGFJSA-N 1 0 285.387 3.035 20 10 CGCDRO c1cc2c(cc1C[NH2+][C@@H]1CCC[C@H]3OCC[C@@H]31)CCCO2 ZINC000921841604 625898766 /nfs/dbraw/zinc/89/87/66/625898766.db2.gz HIMWGUIOHJNDHD-JFIYKMOQSA-N 1 0 287.403 3.059 20 10 CGCDRO c1cc2c(cc1C[NH2+]CC[C@@H]1CCSC1)CCCO2 ZINC000922299557 625994672 /nfs/dbraw/zinc/99/46/72/625994672.db2.gz DLTGPCRYNXRIQX-CYBMUJFWSA-N 1 0 277.433 3.244 20 10 CGCDRO FC(F)(F)[C@@H]1C[C@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922311506 625996391 /nfs/dbraw/zinc/99/63/91/625996391.db2.gz RUIGUDFXOXMWHW-VXGBXAGGSA-N 1 0 271.282 3.052 20 10 CGCDRO CCO[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2ccccc2O)C1 ZINC000922329660 625998760 /nfs/dbraw/zinc/99/87/60/625998760.db2.gz PBOLQKYRYIWWDM-MGPQQGTHSA-N 1 0 263.381 3.391 20 10 CGCDRO COc1cccc(O)c1C[NH2+]Cc1ccc2c(c1)C[C@H](C)O2 ZINC000922703458 626034706 /nfs/dbraw/zinc/03/47/06/626034706.db2.gz WVJPROUTRDFAOD-LBPRGKRZSA-N 1 0 299.370 3.014 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)C1CCSCC1 ZINC000186945392 626083323 /nfs/dbraw/zinc/08/33/23/626083323.db2.gz UHNOXRAVNIQCCY-ZDUSSCGKSA-N 1 0 278.465 3.374 20 10 CGCDRO COC[C@@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)C(C)C ZINC000086682798 626083991 /nfs/dbraw/zinc/08/39/91/626083991.db2.gz HHDJKVNTFJUJLJ-CZUORRHYSA-N 1 0 264.413 3.074 20 10 CGCDRO CC[C@H]([NH2+][C@@H](COC)C(C)C)c1ccccc1O ZINC000086697347 626085464 /nfs/dbraw/zinc/08/54/64/626085464.db2.gz NTYXBEAOQDTKJW-KBPBESRZSA-N 1 0 251.370 3.104 20 10 CGCDRO Oc1ccccc1C[NH2+]CCc1nc2ccccc2s1 ZINC000020128081 634490655 /nfs/dbraw/zinc/49/06/55/634490655.db2.gz XLVFZCYBUAGARJ-UHFFFAOYSA-N 1 0 284.384 3.334 20 10 CGCDRO COC1(c2ccccc2)C[NH+](Cc2cc(C)ccc2O)C1 ZINC000839100046 626313916 /nfs/dbraw/zinc/31/39/16/626313916.db2.gz QTBNZFFEVCRVEZ-UHFFFAOYSA-N 1 0 283.371 3.058 20 10 CGCDRO CCOc1cccc(C[NH+]2CC(CC(F)(F)F)C2)c1O ZINC000839137280 626322546 /nfs/dbraw/zinc/32/25/46/626322546.db2.gz CIWUIIQNXZWQGJ-UHFFFAOYSA-N 1 0 289.297 3.175 20 10 CGCDRO CCN(CC)c1ccc(C[NH+]2CC3(C2)CCOCC3)cc1 ZINC000839141616 626323236 /nfs/dbraw/zinc/32/32/36/626323236.db2.gz TVHARYDAFIPSPD-UHFFFAOYSA-N 1 0 288.435 3.145 20 10 CGCDRO Cc1cc(NCc2ccccc2O)ccc1C[NH+](C)C ZINC000839188188 626328094 /nfs/dbraw/zinc/32/80/94/626328094.db2.gz CSJLLFGJSMJGLY-UHFFFAOYSA-N 1 0 270.376 3.374 20 10 CGCDRO CC[C@@H]1OCC[C@H]1[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000840820736 626338573 /nfs/dbraw/zinc/33/85/73/626338573.db2.gz KLTDPIOLGNCJER-LHMODEAPSA-N 1 0 279.355 3.237 20 10 CGCDRO CCn1nccc1C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000753848902 626467670 /nfs/dbraw/zinc/46/76/70/626467670.db2.gz NRDLXQWGWBNNPR-UHFFFAOYSA-N 1 0 298.434 3.183 20 10 CGCDRO COC1CCC([N@H+](C)Cc2cc(C)cc(C)c2O)CC1 ZINC000754726307 626584942 /nfs/dbraw/zinc/58/49/42/626584942.db2.gz OLQNEBPFAMSWIP-UHFFFAOYSA-N 1 0 277.408 3.398 20 10 CGCDRO COc1cc(C)cc(C[N@H+](C)[C@@H](C)C(C)C)c1O ZINC000754725799 626585188 /nfs/dbraw/zinc/58/51/88/626585188.db2.gz FZEMZVQDAAVUFN-LBPRGKRZSA-N 1 0 251.370 3.186 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]Cc2cccnc2)c2c1c(F)ccc2O ZINC000756343891 626693901 /nfs/dbraw/zinc/69/39/01/626693901.db2.gz PGRHYJOSALGUIG-MFKMUULPSA-N 1 0 272.323 3.264 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccco2)c2c1c(F)ccc2O ZINC000756344175 626693930 /nfs/dbraw/zinc/69/39/30/626693930.db2.gz RNJUWFPLGHIJFL-SKDRFNHKSA-N 1 0 261.296 3.462 20 10 CGCDRO COCCCC[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756419344 626704304 /nfs/dbraw/zinc/70/43/04/626704304.db2.gz FBJLPHMHETXVRO-CMPLNLGQSA-N 1 0 267.344 3.096 20 10 CGCDRO CCOCCCC[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756421098 626704472 /nfs/dbraw/zinc/70/44/72/626704472.db2.gz FJAHYZCEPLHREM-AAEUAGOBSA-N 1 0 281.371 3.486 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](CO)Cc2ccccc2)c1 ZINC000756461189 626707801 /nfs/dbraw/zinc/70/78/01/626707801.db2.gz WLUCLZCNAWAIRE-WBVHZDCISA-N 1 0 299.414 3.202 20 10 CGCDRO CC[C@H](C)N(C)CC[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756529287 626712813 /nfs/dbraw/zinc/71/28/13/626712813.db2.gz RPHOHFIYZZREQD-MBNYWOFBSA-N 1 0 294.414 3.400 20 10 CGCDRO Cc1ccc2nc(C[NH2+][C@@H](C)c3cc(F)ccc3O)cn2c1 ZINC000756534041 626713051 /nfs/dbraw/zinc/71/30/51/626713051.db2.gz JYWADJZWMLMJSR-LBPRGKRZSA-N 1 0 299.349 3.338 20 10 CGCDRO CCn1nc(C)c(C[NH2+][C@@H](C)c2cc(F)ccc2O)c1C ZINC000756536122 626713113 /nfs/dbraw/zinc/71/31/13/626713113.db2.gz QCDVHULKPIHZKC-JTQLQIEISA-N 1 0 291.370 3.215 20 10 CGCDRO C[C@@H]([NH2+]CCN1[C@H](C)CCC[C@@H]1C)c1cc(F)ccc1O ZINC000756554932 626714618 /nfs/dbraw/zinc/71/46/18/626714618.db2.gz OSRIWEWIBZTVOD-HZSPNIEDSA-N 1 0 294.414 3.445 20 10 CGCDRO CCC(CC)[C@H](O)C[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756569952 626716340 /nfs/dbraw/zinc/71/63/40/626716340.db2.gz SYBXASMYETXZBE-VZJVUDMVSA-N 1 0 295.398 3.466 20 10 CGCDRO C[C@H]([NH2+]C[C@](C)(O)C1CC1)c1cc2c(cc1O)CCCC2 ZINC000756569556 626716396 /nfs/dbraw/zinc/71/63/96/626716396.db2.gz QSPMIHWZZUVBGC-SGTLLEGYSA-N 1 0 289.419 3.083 20 10 CGCDRO CC[C@H](C)[C@](C)(O)C[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000756576805 626717555 /nfs/dbraw/zinc/71/75/55/626717555.db2.gz PARDEROACAMPFW-ZIBATOQPSA-N 1 0 285.815 3.493 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]CCCC(C)(C)CO)c2c1c(F)ccc2O ZINC000756606008 626719707 /nfs/dbraw/zinc/71/97/07/626719707.db2.gz KNRGDASBFMWUTO-YPMHNXCESA-N 1 0 295.398 3.468 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C)[C@@H](C)C2)c2c1c(F)ccc2O ZINC000756615964 626720727 /nfs/dbraw/zinc/72/07/27/626720727.db2.gz XTYIZTRPKRBKBC-CZXHOFHRSA-N 1 0 292.398 3.152 20 10 CGCDRO CC[C@H](C[C@H](C)CO)[NH2+][C@H](C)c1ccc(C)cc1O ZINC000756624226 626721527 /nfs/dbraw/zinc/72/15/27/626721527.db2.gz DYGKPMYINIAGDZ-BFHYXJOUSA-N 1 0 265.397 3.148 20 10 CGCDRO C[C@@H](C[NH2+][C@H](C)c1cc(F)ccc1O)c1ccncc1 ZINC000756632248 626721944 /nfs/dbraw/zinc/72/19/44/626721944.db2.gz BDMMVAOIUYNCCN-NWDGAFQWSA-N 1 0 274.339 3.381 20 10 CGCDRO CO[C@H](C[NH2+][C@H](C)c1cc(Cl)ccc1O)C(C)C ZINC000756628910 626722131 /nfs/dbraw/zinc/72/21/31/626722131.db2.gz YRASXUKXOYDVNX-QMTHXVAHSA-N 1 0 271.788 3.367 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCSC2)c2c1c(F)ccc2O ZINC000756733453 626728792 /nfs/dbraw/zinc/72/87/92/626728792.db2.gz RGRCWOYGHNIXRT-KKZNHRDASA-N 1 0 267.369 3.175 20 10 CGCDRO Oc1cccc2c1C[C@@H]([NH2+]Cc1cc(Cl)ccc1O)C2 ZINC000758558529 626849131 /nfs/dbraw/zinc/84/91/31/626849131.db2.gz HFKDPICDVODPNP-ZDUSSCGKSA-N 1 0 289.762 3.008 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2nn(C)c3ccccc23)c1 ZINC000760897411 627000651 /nfs/dbraw/zinc/00/06/51/627000651.db2.gz KVXMQEJBTKIXJT-CYBMUJFWSA-N 1 0 295.386 3.438 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2nn(C)c3ccccc23)c(O)c1 ZINC000760895798 627000750 /nfs/dbraw/zinc/00/07/50/627000750.db2.gz BEPCZCQLNJCGAI-CYBMUJFWSA-N 1 0 295.386 3.438 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@](C)(CC)CCO)cc1F ZINC000761978960 627077396 /nfs/dbraw/zinc/07/73/96/627077396.db2.gz FHZNYJOBNLYXDJ-KRWDZBQOSA-N 1 0 296.430 3.313 20 10 CGCDRO CN(C)c1ccc(C[NH+](CC2CC2)CC2CC2)cc1 ZINC000763408514 627157048 /nfs/dbraw/zinc/15/70/48/627157048.db2.gz CCWDOFAOAHISRG-UHFFFAOYSA-N 1 0 258.409 3.375 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCC(F)(F)C2)cc1C ZINC000763520773 627161755 /nfs/dbraw/zinc/16/17/55/627161755.db2.gz INQILHANHIJQFF-LBPRGKRZSA-N 1 0 255.308 3.286 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](C)C[C@@H](O)c2ccco2)cc1C ZINC000763525274 627163287 /nfs/dbraw/zinc/16/32/87/627163287.db2.gz WDZIAAINGLESQM-DZGCQCFKSA-N 1 0 289.375 3.198 20 10 CGCDRO COc1ccc(C[NH2+][C@H](C)C[C@@H](O)c2ccco2)cc1C ZINC000763525278 627163546 /nfs/dbraw/zinc/16/35/46/627163546.db2.gz WDZIAAINGLESQM-UKRRQHHQSA-N 1 0 289.375 3.198 20 10 CGCDRO CCC[N@H+](CCN(CC)CC)Cc1cc(C)ccc1O ZINC000764677397 627217738 /nfs/dbraw/zinc/21/77/38/627217738.db2.gz JAKOINPBTOABGY-UHFFFAOYSA-N 1 0 278.440 3.254 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCN(C3CC3)C2)cc1 ZINC000765780715 627270094 /nfs/dbraw/zinc/27/00/94/627270094.db2.gz KOCGFMSKWSWKQL-GDBMZVCRSA-N 1 0 287.451 3.030 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCOCC2CCC2)c1 ZINC000765810328 627272918 /nfs/dbraw/zinc/27/29/18/627272918.db2.gz RTPNYZNSXYIQQG-ZDUSSCGKSA-N 1 0 263.381 3.168 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C1Cc2ccccc2C1 ZINC000766030012 627288898 /nfs/dbraw/zinc/28/88/98/627288898.db2.gz SARPZNUIYPYDIS-UHFFFAOYSA-N 1 0 280.415 3.318 20 10 CGCDRO CC[C@@H]([NH2+]CCN1CC[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000766380365 627324792 /nfs/dbraw/zinc/32/47/92/627324792.db2.gz CWQCFFZELBVPEO-MAUKXSAKSA-N 1 0 289.467 3.135 20 10 CGCDRO C[C@H](C[C@@H]1CCOC1)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000766583918 627345940 /nfs/dbraw/zinc/34/59/40/627345940.db2.gz XIPZUYFCRXULQV-ILXRZTDVSA-N 1 0 276.424 3.218 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCc2ccncc2)cc1 ZINC000766600833 627346633 /nfs/dbraw/zinc/34/66/33/627346633.db2.gz GXOQOOYBOOTESO-OAHLLOKOSA-N 1 0 283.419 3.431 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2CCc3cc(O)ccc3C2)cc1C ZINC000767728274 627432907 /nfs/dbraw/zinc/43/29/07/627432907.db2.gz OORSMRMHADALDC-KRWDZBQOSA-N 1 0 297.398 3.356 20 10 CGCDRO CCCN(CCC)c1ccc(C[N@@H+]2CCC[C@H](O)C2)cc1 ZINC000768140130 627463004 /nfs/dbraw/zinc/46/30/04/627463004.db2.gz CBOQAJCZKRBCJM-SFHVURJKSA-N 1 0 290.451 3.270 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H]2C(C)C)c1 ZINC000768320329 627473254 /nfs/dbraw/zinc/47/32/54/627473254.db2.gz SIFFSCRZOOLEFA-OAHLLOKOSA-N 1 0 263.381 3.411 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000768356016 627475963 /nfs/dbraw/zinc/47/59/63/627475963.db2.gz VHQQOGMZRHVXBJ-OAHLLOKOSA-N 1 0 284.359 3.133 20 10 CGCDRO COc1cc(C[N@@H+]2CCCCC[C@H]2C)c(O)cc1C ZINC000768448708 627480722 /nfs/dbraw/zinc/48/07/22/627480722.db2.gz WOVCVRIFEOCMSL-CYBMUJFWSA-N 1 0 263.381 3.474 20 10 CGCDRO CC(C)O[C@@H]1C[C@H]([NH2+]Cc2cc(F)ccc2O)C1(C)C ZINC000768524876 627483783 /nfs/dbraw/zinc/48/37/83/627483783.db2.gz RASHZFMMIXQNJP-LSDHHAIUSA-N 1 0 281.371 3.213 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CCCC[C@H](COC)C2)c(O)c1 ZINC000768541874 627485427 /nfs/dbraw/zinc/48/54/27/627485427.db2.gz SUOFGXSOXUMLRT-AWEZNQCLSA-N 1 0 293.407 3.039 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CCOc2ccccc2[C@H]1C ZINC000768930683 627509893 /nfs/dbraw/zinc/50/98/93/627509893.db2.gz OEPGDHLDGSQKFT-CYBMUJFWSA-N 1 0 299.370 3.356 20 10 CGCDRO CC[C@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000769011572 627516623 /nfs/dbraw/zinc/51/66/23/627516623.db2.gz YDCFFGPWQAYZFP-HNNXBMFYSA-N 1 0 292.398 3.037 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CCC[C@H](C)CC2)c(O)c1 ZINC000769148729 627526080 /nfs/dbraw/zinc/52/60/80/627526080.db2.gz QJXTWPZQLDAVCK-ZDUSSCGKSA-N 1 0 263.381 3.413 20 10 CGCDRO CCOc1ccc(O)c(C[NH+]2CCC(C)(C)CC2)c1 ZINC000769307330 627538640 /nfs/dbraw/zinc/53/86/40/627538640.db2.gz HBNBWASGNHAMLL-UHFFFAOYSA-N 1 0 263.381 3.413 20 10 CGCDRO CCOc1ccc(C[NH+]2CCC(C)(C)CC2)c(O)c1 ZINC000769307315 627538716 /nfs/dbraw/zinc/53/87/16/627538716.db2.gz GSJZFCFVBYFBSA-UHFFFAOYSA-N 1 0 263.381 3.413 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](c3ccco3)C2)cc1F ZINC000769390168 627547957 /nfs/dbraw/zinc/54/79/57/627547957.db2.gz RBSVQEMPKHOVFN-AWEZNQCLSA-N 1 0 288.366 3.474 20 10 CGCDRO CCOc1ccc(C[NH+]2CCc3ccccc3CC2)c(O)c1 ZINC000769411035 627550072 /nfs/dbraw/zinc/55/00/72/627550072.db2.gz GPHYXFRBMNDQBP-UHFFFAOYSA-N 1 0 297.398 3.392 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCOC[C@@H](C)C2)cc1 ZINC000769456618 627554691 /nfs/dbraw/zinc/55/46/91/627554691.db2.gz OKJNLXJGSAKQCQ-HNNXBMFYSA-N 1 0 276.424 3.001 20 10 CGCDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2cc(C)ccc2O)C1(C)C ZINC000769476240 627558454 /nfs/dbraw/zinc/55/84/54/627558454.db2.gz XMIAOWROEAZODB-CVEARBPZSA-N 1 0 277.408 3.336 20 10 CGCDRO Cc1cccc(C[N@@H+](C)Cc2ccc(N(C)C)c(F)c2)n1 ZINC000769482015 627559186 /nfs/dbraw/zinc/55/91/86/627559186.db2.gz XTBXGNZVJANOEP-UHFFFAOYSA-N 1 0 287.382 3.227 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CC[C@H]1Cc1ccccc1 ZINC000769505948 627561114 /nfs/dbraw/zinc/56/11/14/627561114.db2.gz LIMJQVNMLYNJJH-HNNXBMFYSA-N 1 0 283.371 3.218 20 10 CGCDRO COc1ccc(C[NH2+]CCCC2CCOCC2)cc1C ZINC000769504064 627561295 /nfs/dbraw/zinc/56/12/95/627561295.db2.gz SSLITVXQTLPRSD-UHFFFAOYSA-N 1 0 277.408 3.300 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000770285279 627611638 /nfs/dbraw/zinc/61/16/38/627611638.db2.gz FPQDERKVJJMZTA-FZMZJTMJSA-N 1 0 281.783 3.047 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc3c(c2)CCO3)c(C)n1 ZINC000771383452 627705425 /nfs/dbraw/zinc/70/54/25/627705425.db2.gz LVURZWAFHOTPSW-ZDUSSCGKSA-N 1 0 282.387 3.484 20 10 CGCDRO CSc1cc(C[NH2+]Cc2ccc(N(C)C)cc2)ccn1 ZINC000771893701 627741871 /nfs/dbraw/zinc/74/18/71/627741871.db2.gz GEUAXCPDRVBXQM-UHFFFAOYSA-N 1 0 287.432 3.159 20 10 CGCDRO COc1cccc(C[N@@H+]2CC[C@@H]2c2ccccc2)c1O ZINC000771941279 627747914 /nfs/dbraw/zinc/74/79/14/627747914.db2.gz ZMXJKZNPCHUCHU-OAHLLOKOSA-N 1 0 269.344 3.348 20 10 CGCDRO CCN(C)c1ccc(C[NH+]2CCC(n3ccnc3)CC2)cc1 ZINC000773754731 627911313 /nfs/dbraw/zinc/91/13/13/627911313.db2.gz NGGPLKSBWSOEOJ-UHFFFAOYSA-N 1 0 298.434 3.176 20 10 CGCDRO CCCCC[N@H+](CCO)Cc1ccc(N(C)CC)cc1 ZINC000773757275 627912090 /nfs/dbraw/zinc/91/20/90/627912090.db2.gz OBCPSJGCMMAAHR-UHFFFAOYSA-N 1 0 278.440 3.127 20 10 CGCDRO CCN(C)c1ccc(C[N@H+](C)C[C@@H]2CCCOC2)cc1 ZINC000773758584 627912443 /nfs/dbraw/zinc/91/24/43/627912443.db2.gz WXLHFIDMZUFSQM-INIZCTEOSA-N 1 0 276.424 3.001 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@H](C)C[C@@H]2[C@@H](C)O)cc1 ZINC000773888881 627925410 /nfs/dbraw/zinc/92/54/10/627925410.db2.gz RVAYNOSHKBVUNE-HDMKZQKVSA-N 1 0 290.451 3.124 20 10 CGCDRO COc1ccc(N2CC[NH+](CC3(C)CCC3)CC2)cc1F ZINC000774916178 628049212 /nfs/dbraw/zinc/04/92/12/628049212.db2.gz ZYBLBTJSPRBIQQ-UHFFFAOYSA-N 1 0 292.398 3.147 20 10 CGCDRO CC[C@H]([NH2+]CCCn1ccnc1)c1cc(Cl)ccc1O ZINC000775483188 628098457 /nfs/dbraw/zinc/09/84/57/628098457.db2.gz ORKSYGPWXXOCEH-AWEZNQCLSA-N 1 0 293.798 3.373 20 10 CGCDRO CC[C@H](C)[C@H](O)C[NH2+][C@@H](CC)c1cc(Cl)ccc1O ZINC000775503420 628101752 /nfs/dbraw/zinc/10/17/52/628101752.db2.gz IEYJXUDFPQXONC-VZJVUDMVSA-N 1 0 285.815 3.493 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](C)C[C@H](C)O)c1cc(Cl)ccc1O ZINC000775510272 628102405 /nfs/dbraw/zinc/10/24/05/628102405.db2.gz ZKSKMBZGFUORCB-MJVIPROJSA-N 1 0 285.815 3.493 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H](C)CCO)c1cc(Cl)ccc1O ZINC000775514325 628102957 /nfs/dbraw/zinc/10/29/57/628102957.db2.gz ZACPOGKAOZSIGX-GXFFZTMASA-N 1 0 271.788 3.105 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cc(C)n[nH]1)c1cc(Cl)ccc1O ZINC000775508783 628102959 /nfs/dbraw/zinc/10/29/59/628102959.db2.gz GNEIGFLUQZQJQT-CYBMUJFWSA-N 1 0 279.771 3.318 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CCc3c(C)cccc3C2)c1 ZINC000775680442 628125075 /nfs/dbraw/zinc/12/50/75/628125075.db2.gz CTWKSFXNLLABNQ-UHFFFAOYSA-N 1 0 283.371 3.268 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H]2c2cccc(F)c2)c1 ZINC000775723575 628129113 /nfs/dbraw/zinc/12/91/13/628129113.db2.gz BNSHXBYPMJCTRF-INIZCTEOSA-N 1 0 287.334 3.487 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+]2CCOCC23CCCC3)c1O ZINC000775734484 628130663 /nfs/dbraw/zinc/13/06/63/628130663.db2.gz QWOITUSFEWSQGJ-UHFFFAOYSA-N 1 0 295.810 3.499 20 10 CGCDRO CC(C)[C@H]1CC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000775766299 628134192 /nfs/dbraw/zinc/13/41/92/628134192.db2.gz WLGGRAADCNGACR-CQSZACIVSA-N 1 0 250.361 3.122 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CCCC[C@@H](C)C2)c(O)c1 ZINC000775995480 628156796 /nfs/dbraw/zinc/15/67/96/628156796.db2.gz DXENVRYZHCOGEZ-CYBMUJFWSA-N 1 0 263.381 3.413 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+]CCc2ccc(O)cc2)c1O ZINC000776086192 628164542 /nfs/dbraw/zinc/16/45/42/628164542.db2.gz DVFSEPZPURGPMJ-UHFFFAOYSA-N 1 0 291.778 3.392 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+]C(C)(C)c2cnn(C)c2)c1O ZINC000776178011 628176856 /nfs/dbraw/zinc/17/68/56/628176856.db2.gz XMBFOLMBGYIOBI-UHFFFAOYSA-N 1 0 293.798 3.112 20 10 CGCDRO COc1cc(O)c(C[NH2+][C@@H]2CCC(C)(C)C2)cc1OC ZINC000776252856 628184407 /nfs/dbraw/zinc/18/44/07/628184407.db2.gz ZRXAAHUFEDUXMM-GFCCVEGCSA-N 1 0 279.380 3.078 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]CC[C@H]2COc3ccccc3O2)c1 ZINC000776251583 628184760 /nfs/dbraw/zinc/18/47/60/628184760.db2.gz MWXCSMGDHCTQON-HNNXBMFYSA-N 1 0 299.370 3.020 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)c1O ZINC000776257608 628186266 /nfs/dbraw/zinc/18/62/66/628186266.db2.gz ZANYHVMEGPIKHN-IPYPFGDCSA-N 1 0 295.473 3.170 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000779023473 628384369 /nfs/dbraw/zinc/38/43/69/628384369.db2.gz SLIARTWRQNHJQY-OAHLLOKOSA-N 1 0 257.308 3.478 20 10 CGCDRO CO[C@@]1(C)C[C@@H]([N@H+](C)Cc2cc(F)ccc2O)C1(C)C ZINC000779032547 628384623 /nfs/dbraw/zinc/38/46/23/628384623.db2.gz JVILBRPSSQGUIA-ZBFHGGJFSA-N 1 0 281.371 3.167 20 10 CGCDRO OCC[C@@H]1CCC[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000779202593 628393702 /nfs/dbraw/zinc/39/37/02/628393702.db2.gz PHQXZCAJGISCOL-SFHVURJKSA-N 1 0 297.398 3.406 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)c1 ZINC000783544946 628724085 /nfs/dbraw/zinc/72/40/85/628724085.db2.gz RWRYBOJCRXDSSP-MJBXVCDLSA-N 1 0 263.381 3.007 20 10 CGCDRO CC[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cccc(Cl)c1[O-] ZINC000806150073 628930936 /nfs/dbraw/zinc/93/09/36/628930936.db2.gz KSDPAXKJVFRYRN-OAHLLOKOSA-N 1 0 294.826 3.348 20 10 CGCDRO CO[C@@H](CC[NH2+]Cc1cc(C)c(C)cc1O)C(F)(F)F ZINC000786823345 628965085 /nfs/dbraw/zinc/96/50/85/628965085.db2.gz KPSWHVIHMQPMGP-ZDUSSCGKSA-N 1 0 291.313 3.066 20 10 CGCDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccccc1O ZINC000786814376 628965102 /nfs/dbraw/zinc/96/51/02/628965102.db2.gz VXHRCUGUACCDGQ-UKTHLTGXSA-N 1 0 298.342 3.494 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CCc3ccccc3OC2)cc1C ZINC000786821422 628965301 /nfs/dbraw/zinc/96/53/01/628965301.db2.gz LXANABXBEPERIY-QGZVFWFLSA-N 1 0 297.398 3.487 20 10 CGCDRO CO[C@H](CC[NH2+][C@H](C)c1ccccc1O)C(F)(F)F ZINC000786952841 628972305 /nfs/dbraw/zinc/97/23/05/628972305.db2.gz IRCDLQSSQPQSDN-BXKDBHETSA-N 1 0 277.286 3.010 20 10 CGCDRO C[NH+](C)[C@H]1CCOc2c(NCc3ccccc3O)cccc21 ZINC000788536011 629063015 /nfs/dbraw/zinc/06/30/15/629063015.db2.gz OLIBNXYPTUWLSZ-INIZCTEOSA-N 1 0 298.386 3.390 20 10 CGCDRO Cc1nnc(C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)s1 ZINC000788732908 629077260 /nfs/dbraw/zinc/07/72/60/629077260.db2.gz GULLCZLTXYDBAF-JTQLQIEISA-N 1 0 277.393 3.020 20 10 CGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)CC1(SC)CC1 ZINC000788844107 629086040 /nfs/dbraw/zinc/08/60/40/629086040.db2.gz VNGUXIYPOJTGQY-UHFFFAOYSA-N 1 0 278.465 3.470 20 10 CGCDRO Cc1c(C[N@H+](C)Cc2c(O)ccc3ccccc32)cnn1C ZINC000790418218 629210363 /nfs/dbraw/zinc/21/03/63/629210363.db2.gz RSRYJCPZENPAPH-UHFFFAOYSA-N 1 0 295.386 3.219 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1N(C)CCCC1(C)C)c1ccccc1O ZINC000790499566 629214225 /nfs/dbraw/zinc/21/42/25/629214225.db2.gz YBPJOHUJIVGRNX-CZUORRHYSA-N 1 0 276.424 3.163 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1N(C)CCCC1(C)C)c1ccccc1O ZINC000790499563 629214359 /nfs/dbraw/zinc/21/43/59/629214359.db2.gz YBPJOHUJIVGRNX-CJNGLKHVSA-N 1 0 276.424 3.163 20 10 CGCDRO COCC[N@H+](Cc1cc(F)ccc1O)[C@@H]1CC[C@H](C)C1 ZINC000792193371 629347513 /nfs/dbraw/zinc/34/75/13/629347513.db2.gz UGEMSEPBASZKTI-SWLSCSKDSA-N 1 0 281.371 3.168 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)cc1Cl ZINC000862529541 629391656 /nfs/dbraw/zinc/39/16/56/629391656.db2.gz MMPQFUIRHVUDMI-WFASDCNBSA-N 1 0 281.783 3.011 20 10 CGCDRO Oc1c(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)ccc2ccccc21 ZINC000862530064 629392631 /nfs/dbraw/zinc/39/26/31/629392631.db2.gz ULJBEGDYHSIFHD-RDJZCZTQSA-N 1 0 283.371 3.203 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2C[C@H](C)O[C@@H](C3CC3)C2)cc1C ZINC000793220092 629430312 /nfs/dbraw/zinc/43/03/12/629430312.db2.gz QYCTVXITHVSIOF-SUMWQHHRSA-N 1 0 275.392 3.008 20 10 CGCDRO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccccc1O ZINC000793232606 629432973 /nfs/dbraw/zinc/43/29/73/629432973.db2.gz ZKWOMNIINIZXDQ-GXSJLCMTSA-N 1 0 259.271 3.165 20 10 CGCDRO CCOc1ccc(C[N@H+](C)Cc2cnccc2C)c(O)c1 ZINC000793338076 629445051 /nfs/dbraw/zinc/44/50/51/629445051.db2.gz BTGWDIMCDPCFOZ-UHFFFAOYSA-N 1 0 286.375 3.126 20 10 CGCDRO COc1cccc(C[N@H+](C)[C@@H]2CCC(C)(C)C2)c1O ZINC000793351161 629446244 /nfs/dbraw/zinc/44/62/44/629446244.db2.gz GMAHQSKZOOGOPN-CYBMUJFWSA-N 1 0 263.381 3.411 20 10 CGCDRO COc1ccc(C[NH2+]Cc2ccc(C)c(C)c2)c(O)c1 ZINC000793386409 629452751 /nfs/dbraw/zinc/45/27/51/629452751.db2.gz PFCVFICLZFVXFM-UHFFFAOYSA-N 1 0 271.360 3.307 20 10 CGCDRO CC[C@H]1CC[N@@H+]1Cc1c(O)c(C(=O)OC)cc2ccccc21 ZINC000793810100 629502755 /nfs/dbraw/zinc/50/27/55/629502755.db2.gz NAKLLZGHXFJFNF-ZDUSSCGKSA-N 1 0 299.370 3.316 20 10 CGCDRO CC[C@@H]([NH2+]CCN1CCC[C@@H](C)C1)c1ccc(C)cc1O ZINC000794795002 629577659 /nfs/dbraw/zinc/57/76/59/629577659.db2.gz GERVSJWBUAWCPJ-NVXWUHKLSA-N 1 0 290.451 3.473 20 10 CGCDRO CC[C@@H]([NH2+]CCCc1c[nH]nc1C)c1ccc(C)cc1O ZINC000794797994 629577901 /nfs/dbraw/zinc/57/79/01/629577901.db2.gz RONDPCGMAUFXIL-MRXNPFEDSA-N 1 0 287.407 3.406 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccccc1CO)c1ccc(C)cc1O ZINC000794801688 629578570 /nfs/dbraw/zinc/57/85/70/629578570.db2.gz JYGDTKOQVXPEDK-QGZVFWFLSA-N 1 0 285.387 3.434 20 10 CGCDRO CCN(CC)[C@H](C)C[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000794835033 629584712 /nfs/dbraw/zinc/58/47/12/629584712.db2.gz ZKVZQUMJZJGAET-SCRDCRAPSA-N 1 0 294.414 3.400 20 10 CGCDRO C[C@@H](N[C@@H]1CC[NH2+][C@H]1C)c1ccc(N2CCCCC2)cc1 ZINC000863546207 629603740 /nfs/dbraw/zinc/60/37/40/629603740.db2.gz GBYGCOPHEVLWHT-RVKKMQEKSA-N 1 0 287.451 3.078 20 10 CGCDRO CCC[NH+]1CCC([NH2+][C@H](CC)c2ccc(F)cc2[O-])CC1 ZINC000796677100 629813747 /nfs/dbraw/zinc/81/37/47/629813747.db2.gz USUWEUGLBLBDEM-MRXNPFEDSA-N 1 0 294.414 3.446 20 10 CGCDRO CCC[NH+]1CCC([NH2+][C@@H](CC)c2ccc(F)cc2[O-])CC1 ZINC000796677097 629813934 /nfs/dbraw/zinc/81/39/34/629813934.db2.gz USUWEUGLBLBDEM-INIZCTEOSA-N 1 0 294.414 3.446 20 10 CGCDRO CC1=CCC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000798090421 630021512 /nfs/dbraw/zinc/02/15/12/630021512.db2.gz KUOCERDDUCOWJC-UHFFFAOYSA-N 1 0 282.181 3.307 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@H](CO)CC2CCCC2)cc1C ZINC000798503060 630060732 /nfs/dbraw/zinc/06/07/32/630060732.db2.gz BJWTVCAUWVIMPZ-MRXNPFEDSA-N 1 0 291.435 3.287 20 10 CGCDRO c1cnc2c(c1)CCC[C@H]2[NH2+]Cc1ccc2c(c1)CCO2 ZINC000798925869 630125952 /nfs/dbraw/zinc/12/59/52/630125952.db2.gz DUPQCVRKLMMVIG-MRXNPFEDSA-N 1 0 280.371 3.184 20 10 CGCDRO COc1ccc(N2CCC([NH2+]CC(C)(C)F)CC2)cc1 ZINC000865652633 630254728 /nfs/dbraw/zinc/25/47/28/630254728.db2.gz GBDGXTVCNGASTG-UHFFFAOYSA-N 1 0 280.387 3.002 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CC[C@@H]2CCSC2)cc1F ZINC000865654446 630260090 /nfs/dbraw/zinc/26/00/90/630260090.db2.gz KQBWQMZJSUOUKC-GFCCVEGCSA-N 1 0 282.428 3.125 20 10 CGCDRO COc1cccc(O)c1C[NH2+]Cc1cc(C)cc(Cl)n1 ZINC000800285507 630261384 /nfs/dbraw/zinc/26/13/84/630261384.db2.gz KPMHKZJFDNIEAU-UHFFFAOYSA-N 1 0 292.766 3.047 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@@]23C[C@@H]2CCCC3)c1 ZINC000865704493 630397926 /nfs/dbraw/zinc/39/79/26/630397926.db2.gz VHJVMVLREHBIQD-BBRMVZONSA-N 1 0 261.365 3.213 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+][C@@H]2CSC2(C)C)c1O ZINC000802661042 630403831 /nfs/dbraw/zinc/40/38/31/630403831.db2.gz FGAPJPVUGPBISP-LLVKDONJSA-N 1 0 271.813 3.338 20 10 CGCDRO CC[C@H]([NH2+]CC1CC[NH+](C)CC1)c1cccc(Cl)c1[O-] ZINC000806138564 630547482 /nfs/dbraw/zinc/54/74/82/630547482.db2.gz XJLCXUNOKXWKGT-HNNXBMFYSA-N 1 0 296.842 3.428 20 10 CGCDRO CC(C)[C@H](CO)C[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000806169789 630553152 /nfs/dbraw/zinc/55/31/52/630553152.db2.gz QUHPFHYFAPHRLG-CJNGLKHVSA-N 1 0 291.435 3.186 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)CN(C)C)c1cc(Cl)ccc1O ZINC000806170454 630553207 /nfs/dbraw/zinc/55/32/07/630553207.db2.gz UEIJTRSMNSCLMC-GWCFXTLKSA-N 1 0 270.804 3.036 20 10 CGCDRO CC(C)[C@H]1C[N@H+](Cc2cc3c(cc2O)CCC3)CCCO1 ZINC000840096911 630591861 /nfs/dbraw/zinc/59/18/61/630591861.db2.gz VGLGJMKGPKWDEG-GOSISDBHSA-N 1 0 289.419 3.128 20 10 CGCDRO COc1cc(C[N@@H+]2CCC[C@@](C)(F)C2)c(O)cc1C ZINC000840097807 630592110 /nfs/dbraw/zinc/59/21/10/630592110.db2.gz DSXCYUAWWYTYQL-OAHLLOKOSA-N 1 0 267.344 3.033 20 10 CGCDRO COCCC[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808673176 630663371 /nfs/dbraw/zinc/66/33/71/630663371.db2.gz ZFWMMHQQYNMBNA-JTQLQIEISA-N 1 0 257.761 3.041 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](C)N(C)C2CC2)c1O ZINC000808693142 630665130 /nfs/dbraw/zinc/66/51/30/630665130.db2.gz VXHLKVVQEIOZBA-NEPJUHHUSA-N 1 0 296.842 3.487 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)[C@H]2CCOC2)c1O ZINC000808699741 630666484 /nfs/dbraw/zinc/66/64/84/630666484.db2.gz PBJCFORVGKXYMZ-SRVKXCTJSA-N 1 0 283.799 3.430 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCN(C)[C@H](C)C2)c1O ZINC000808698962 630666537 /nfs/dbraw/zinc/66/65/37/630666537.db2.gz OIOWOEUNNFHURP-DYEKYZERSA-N 1 0 296.842 3.487 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](C)C[C@H](C)O)c1O ZINC000808697742 630666579 /nfs/dbraw/zinc/66/65/79/630666579.db2.gz SOIJZFVEBQNLJY-USWWRNFRSA-N 1 0 285.815 3.412 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CC(C)(C)CCO)c1O ZINC000808700965 630666642 /nfs/dbraw/zinc/66/66/42/630666642.db2.gz UUCFQBXJVKAAPB-LLVKDONJSA-N 1 0 285.815 3.413 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CC(C)(C)CO)c1O ZINC000808708794 630667564 /nfs/dbraw/zinc/66/75/64/630667564.db2.gz QMXGDICTJVIAIN-JTQLQIEISA-N 1 0 271.788 3.023 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCN2CC=CCC2)c1O ZINC000808718484 630670771 /nfs/dbraw/zinc/67/07/71/630670771.db2.gz NDIUSWMKSXNZTP-ZDUSSCGKSA-N 1 0 294.826 3.267 20 10 CGCDRO COc1cccc(C[NH2+][C@H]2CCC[C@H]2C(C)C)c1O ZINC000809739831 630796768 /nfs/dbraw/zinc/79/67/68/630796768.db2.gz FHENXCBCSIRMCR-KBPBESRZSA-N 1 0 263.381 3.315 20 10 CGCDRO CCCN(CCC[NH+](C)C)Cc1c(O)cccc1Cl ZINC000809756385 630801185 /nfs/dbraw/zinc/80/11/85/630801185.db2.gz OFAFNWUODKVGFS-UHFFFAOYSA-N 1 0 284.831 3.209 20 10 CGCDRO CCC(CC)[N@H+](CC)Cc1cc2c(cc1O)OCO2 ZINC000809788856 630809768 /nfs/dbraw/zinc/80/97/68/630809768.db2.gz WXGSZCKIRDWXOL-UHFFFAOYSA-N 1 0 265.353 3.131 20 10 CGCDRO CC[C@H](C[NH2+][C@H](C)c1ccc(N(C)CC)cc1)OC ZINC000810257859 630861390 /nfs/dbraw/zinc/86/13/90/630861390.db2.gz IGXSCFJWQTXHAP-CZUORRHYSA-N 1 0 264.413 3.218 20 10 CGCDRO CCCN(CC)C[C@H](C)[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000810263784 630862750 /nfs/dbraw/zinc/86/27/50/630862750.db2.gz SWXJDSHYOTWFKT-GJZGRUSLSA-N 1 0 278.440 3.472 20 10 CGCDRO C[C@@H]([NH2+]CCCCF)c1ccc(N2CCOCC2)c(F)c1 ZINC000812735820 631299169 /nfs/dbraw/zinc/29/91/69/631299169.db2.gz AXTVHQKLWYBQOW-CYBMUJFWSA-N 1 0 298.377 3.063 20 10 CGCDRO Oc1ccc(F)cc1CNc1cc2c(c[nH+]1)CCCC2 ZINC000812782030 631306762 /nfs/dbraw/zinc/30/67/62/631306762.db2.gz MGAJFWOGRNHLKC-UHFFFAOYSA-N 1 0 272.323 3.417 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2cc(F)ccc2O)Cc2ccccc2O1 ZINC000814177579 631538558 /nfs/dbraw/zinc/53/85/58/631538558.db2.gz HLCNAMRJOWLSCC-GFCCVEGCSA-N 1 0 287.334 3.314 20 10 CGCDRO Cc1cc(C[NH+]2CCC(n3ccnc3)CC2)ccc1N(C)C ZINC000815060219 631709519 /nfs/dbraw/zinc/70/95/19/631709519.db2.gz JPWFSTXVBUPYPD-UHFFFAOYSA-N 1 0 298.434 3.095 20 10 CGCDRO CO[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000815092299 631714898 /nfs/dbraw/zinc/71/48/98/631714898.db2.gz YSNWZPXOCOFUHV-MRXNPFEDSA-N 1 0 276.424 3.062 20 10 CGCDRO Cc1cc(C[N@@H+]2CCCCC[C@@H]2CCO)ccc1N(C)C ZINC000815114375 631720275 /nfs/dbraw/zinc/72/02/75/631720275.db2.gz PTMYXJOVKGPUTQ-QGZVFWFLSA-N 1 0 290.451 3.188 20 10 CGCDRO CC1(C)CCC[C@]1(O)C[NH2+]Cc1cc(Cl)ccc1O ZINC000815146727 631729538 /nfs/dbraw/zinc/72/95/38/631729538.db2.gz JZZGFTBFYNDHLH-HNNXBMFYSA-N 1 0 283.799 3.076 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCN2CCCCC2)c(O)c1 ZINC000815557330 631795007 /nfs/dbraw/zinc/79/50/07/631795007.db2.gz QXASZEJIFPYJEM-OAHLLOKOSA-N 1 0 276.424 3.146 20 10 CGCDRO COC1(C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)CCC1 ZINC000815614036 631805353 /nfs/dbraw/zinc/80/53/53/631805353.db2.gz DNOZDPKPNBIZIE-ZDUSSCGKSA-N 1 0 263.381 3.229 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCOC(F)(F)F)c(O)c1 ZINC000815619119 631807456 /nfs/dbraw/zinc/80/74/56/631807456.db2.gz CXKJXHDGCNMUPT-JTQLQIEISA-N 1 0 277.286 3.196 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)c1cc[nH]c(=O)c1)c1ccccc1O ZINC000815642731 631810934 /nfs/dbraw/zinc/81/09/34/631810934.db2.gz KIRVAEYNIYKPCD-FZMZJTMJSA-N 1 0 272.348 3.295 20 10 CGCDRO C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1ccc2ccccc2c1O ZINC000816513207 631999395 /nfs/dbraw/zinc/99/93/95/631999395.db2.gz JWKZZCFUQSCTMM-CZUORRHYSA-N 1 0 285.387 3.281 20 10 CGCDRO Oc1c(C[NH2+][C@@H]2CCN(CC3CC3)C2)ccc2ccccc21 ZINC000816549303 632008484 /nfs/dbraw/zinc/00/84/84/632008484.db2.gz JVTMRZXCQQPMQW-QGZVFWFLSA-N 1 0 296.414 3.119 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc3ccccc3c2O)CCN1C ZINC000816554828 632010100 /nfs/dbraw/zinc/01/01/00/632010100.db2.gz JWHWPWLLWWVBAJ-CJNGLKHVSA-N 1 0 284.403 3.118 20 10 CGCDRO Oc1c(C[NH2+]Cc2cccnc2F)ccc2ccccc21 ZINC000816595655 632019421 /nfs/dbraw/zinc/01/94/21/632019421.db2.gz VXYPFUNWVNSDTE-UHFFFAOYSA-N 1 0 282.318 3.369 20 10 CGCDRO COc1ccncc1C[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000816618695 632025059 /nfs/dbraw/zinc/02/50/59/632025059.db2.gz FQRFLHAFIOWUHZ-UHFFFAOYSA-N 1 0 292.766 3.047 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+]C[C@]2(O)CCCC2(C)C)c1O ZINC000816641145 632030081 /nfs/dbraw/zinc/03/00/81/632030081.db2.gz JILLFEMGQKWQDW-MRXNPFEDSA-N 1 0 297.826 3.385 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCOC[C@@H]2CC2CCC2)c1O ZINC000816667288 632041347 /nfs/dbraw/zinc/04/13/47/632041347.db2.gz IUCOWQVXGAFJRK-INIZCTEOSA-N 1 0 275.392 3.092 20 10 CGCDRO CC[C@@H]1C[C@@H]([NH2+]C/C=C\c2ccc(N(C)C)cc2)CCO1 ZINC000817414705 632144701 /nfs/dbraw/zinc/14/47/01/632144701.db2.gz ITLUGOBZXNYSEC-BGYNLAARSA-N 1 0 288.435 3.313 20 10 CGCDRO CC[C@@H]1C[C@H]([NH2+]Cc2cc(C)c(C)cc2O)CCO1 ZINC000817415745 632147170 /nfs/dbraw/zinc/14/71/70/632147170.db2.gz XUSKRUGLHSTIOS-HUUCEWRRSA-N 1 0 263.381 3.056 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCc3cccnc3CC2)cc1 ZINC000817576104 632185811 /nfs/dbraw/zinc/18/58/11/632185811.db2.gz NLXDOUUOWNNOOW-KRWDZBQOSA-N 1 0 295.430 3.185 20 10 CGCDRO Nc1ccc(CC[NH2+]Cc2cccc(C3CC3)c2)cc1 ZINC000817864452 632228374 /nfs/dbraw/zinc/22/83/74/632228374.db2.gz HWHLCCCWWJDRRS-UHFFFAOYSA-N 1 0 266.388 3.479 20 10 CGCDRO CN(C)c1ccc([C@H](N)C[NH2+][C@@H]2CC[C@H]2C(C)(C)C)cc1 ZINC000817941388 632241130 /nfs/dbraw/zinc/24/11/30/632241130.db2.gz JQARIVNWFGMCEI-BRWVUGGUSA-N 1 0 289.467 3.167 20 10 CGCDRO C[C@@H](CC(C)(C)C)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000817944343 632242261 /nfs/dbraw/zinc/24/22/61/632242261.db2.gz ZNKRETLNRKZPRW-BBRMVZONSA-N 1 0 277.456 3.167 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]CCc2ccc(N)cc2)c1 ZINC000817955411 632250191 /nfs/dbraw/zinc/25/01/91/632250191.db2.gz ADSLKBBNXSQTFX-ZDUSSCGKSA-N 1 0 270.376 3.171 20 10 CGCDRO C[C@H]([NH2+]C[C@@H](N)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000817955091 632250434 /nfs/dbraw/zinc/25/04/34/632250434.db2.gz QCWVPTPARIIKHV-KBXCAEBGSA-N 1 0 283.419 3.103 20 10 CGCDRO COc1ccc2c(c1)[C@H]([NH2+]CCc1ccc(N)cc1)CC2 ZINC000817956366 632251049 /nfs/dbraw/zinc/25/10/49/632251049.db2.gz XLWSRGDFVMQAKL-GOSISDBHSA-N 1 0 282.387 3.097 20 10 CGCDRO Cc1c([C@@H](C)[NH2+]CCc2ccc(N)cc2)cccc1[N+](=O)[O-] ZINC000817956400 632251166 /nfs/dbraw/zinc/25/11/66/632251166.db2.gz YGFNAQUSSPXHRF-CYBMUJFWSA-N 1 0 299.374 3.379 20 10 CGCDRO CCC[C@H]([NH2+]CCc1ccc(N)cc1)c1cccnc1 ZINC000817957079 632252057 /nfs/dbraw/zinc/25/20/57/632252057.db2.gz IJUYWOABJPYTNA-KRWDZBQOSA-N 1 0 269.392 3.337 20 10 CGCDRO Nc1ccc(CC[NH2+][C@@H](Cc2ccccc2)C2CC2)cc1 ZINC000817956406 632252086 /nfs/dbraw/zinc/25/20/86/632252086.db2.gz YIJCNMKCDZGWMJ-IBGZPJMESA-N 1 0 280.415 3.422 20 10 CGCDRO COc1ccsc1[C@H](C)[NH2+]CCc1ccc(N)cc1 ZINC000817957721 632252187 /nfs/dbraw/zinc/25/21/87/632252187.db2.gz OPAPEGAXFYCMSY-NSHDSACASA-N 1 0 276.405 3.232 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCc2ccc(N)cc2)c(C)n1 ZINC000817958117 632253423 /nfs/dbraw/zinc/25/34/23/632253423.db2.gz SFDLVTCONJTSAO-ZDUSSCGKSA-N 1 0 269.392 3.174 20 10 CGCDRO Oc1cccc2c1[C@H](NCC[NH2+]C1CCCCCC1)CC2 ZINC000817961000 632256642 /nfs/dbraw/zinc/25/66/42/632256642.db2.gz VVPYFAGAGXTGLY-MRXNPFEDSA-N 1 0 288.435 3.282 20 10 CGCDRO CCCC[C@@H](CN)[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000817961653 632257708 /nfs/dbraw/zinc/25/77/08/632257708.db2.gz BVHDCIJFYXURSD-KGLIPLIRSA-N 1 0 264.413 3.177 20 10 CGCDRO CC[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1cccc(Cl)c1[O-] ZINC000817965631 632260457 /nfs/dbraw/zinc/26/04/57/632260457.db2.gz YJWHGZQHKAZIMC-AWEZNQCLSA-N 1 0 296.842 3.476 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)N[C@H]2C[NH2+]CC[C@@H]2C)c1O ZINC000817968026 632261768 /nfs/dbraw/zinc/26/17/68/632261768.db2.gz GHHLILGQETYSPG-CHIMOYNISA-N 1 0 282.815 3.003 20 10 CGCDRO C[C@@H](CN)[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000817970168 632263158 /nfs/dbraw/zinc/26/31/58/632263158.db2.gz NAJIMGJXWNCOGN-YOEHRIQHSA-N 1 0 284.403 3.003 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1ccc(F)cc1[O-] ZINC000817976740 632267789 /nfs/dbraw/zinc/26/77/89/632267789.db2.gz SSJPHMCYBPLQBS-SMDDNHRTSA-N 1 0 268.376 3.090 20 10 CGCDRO C[C@@H]([NH3+])[C@@H](C)N[C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000817978088 632269260 /nfs/dbraw/zinc/26/92/60/632269260.db2.gz VTMHZRXCHDPOBH-MCIONIFRSA-N 1 0 293.430 3.202 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1cccc(Cl)c1[O-] ZINC000817982425 632273237 /nfs/dbraw/zinc/27/32/37/632273237.db2.gz SCYRMWXAWCPTGW-GYSYKLTISA-N 1 0 282.815 3.214 20 10 CGCDRO C[C@H](N[C@H]1CCCC[NH2+]C1)c1ccc2ccccc2c1O ZINC000817984746 632274394 /nfs/dbraw/zinc/27/43/94/632274394.db2.gz YQGVKDPHCKEXAD-ZFWWWQNUSA-N 1 0 284.403 3.338 20 10 CGCDRO CC(C)n1cncc1C[NH2+]CCCSc1nccs1 ZINC000818192433 632295949 /nfs/dbraw/zinc/29/59/49/632295949.db2.gz TXRTUADKFZZQOF-UHFFFAOYSA-N 1 0 296.465 3.193 20 10 CGCDRO COc1ccc(N2CC[C@@H](C[NH2+]CC3(C)CCC3)C2)cc1 ZINC000818220191 632299232 /nfs/dbraw/zinc/29/92/32/632299232.db2.gz GMDQXXWSQRDWDX-HNNXBMFYSA-N 1 0 288.435 3.301 20 10 CGCDRO CCOc1cccc(C[NH2+]C(C)(C)[C@H]2CCCCO2)c1O ZINC000865746916 632876318 /nfs/dbraw/zinc/87/63/18/632876318.db2.gz QVPNASHTVZBWNU-OAHLLOKOSA-N 1 0 293.407 3.228 20 10 CGCDRO CC[C@H](C[C@@H](C)O)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000865872167 632931220 /nfs/dbraw/zinc/93/12/20/632931220.db2.gz SIZOTLFSGDLGGQ-NVXWUHKLSA-N 1 0 290.451 3.316 20 10 CGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@H]1CC[C@@H]1SC ZINC000822476372 632940658 /nfs/dbraw/zinc/94/06/58/632940658.db2.gz LZTYJQBEEZKGNG-GJZGRUSLSA-N 1 0 264.438 3.256 20 10 CGCDRO Cc1cc(Br)cc(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)c1O ZINC000822539918 632966165 /nfs/dbraw/zinc/96/61/65/632966165.db2.gz QOXPQYGRZYQVSL-DDFAGTSDSA-N 1 0 296.208 3.351 20 10 CGCDRO CCC[N@H+](Cc1ccccc1O)Cc1ccncc1F ZINC000823423623 633102495 /nfs/dbraw/zinc/10/24/95/633102495.db2.gz LPAZMQZHAAGESS-UHFFFAOYSA-N 1 0 274.339 3.339 20 10 CGCDRO CCC[C@H](CCO)[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000866414209 633127019 /nfs/dbraw/zinc/12/70/19/633127019.db2.gz AFUVHAKIGONQPX-NQBHXWOUSA-N 1 0 281.371 3.220 20 10 CGCDRO C[C@H]([NH2+]CC[C@H](O)C(F)F)c1ccc2ccccc2c1O ZINC000866443144 633134047 /nfs/dbraw/zinc/13/40/47/633134047.db2.gz WRBWTSNWWVIJHE-HZMBPMFUSA-N 1 0 295.329 3.212 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)c(O)c1 ZINC000866444279 633134987 /nfs/dbraw/zinc/13/49/87/633134987.db2.gz FASXZORCSXBMBQ-PHEWQEMJSA-N 1 0 287.403 3.083 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]Cc1cccc3c1CCOC3)CC2 ZINC000866479732 633151795 /nfs/dbraw/zinc/15/17/95/633151795.db2.gz YTRJEPPQZMDLOX-KRWDZBQOSA-N 1 0 295.382 3.242 20 10 CGCDRO C[C@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000866500984 633162125 /nfs/dbraw/zinc/16/21/25/633162125.db2.gz WWLBNXQYSDMRGN-ZWKOPEQDSA-N 1 0 272.314 3.354 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1CCC12CCOCC2)c1cc(F)ccc1O ZINC000866529868 633174712 /nfs/dbraw/zinc/17/47/12/633174712.db2.gz SYTHTLCSUHMSON-OLZOCXBDSA-N 1 0 293.382 3.389 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]Cc2nn(C)cc2C(F)F)c(O)c1 ZINC000866564832 633197055 /nfs/dbraw/zinc/19/70/55/633197055.db2.gz CQIDGVIZOYYCCH-JTQLQIEISA-N 1 0 295.333 3.223 20 10 CGCDRO C[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1O)c1ccnn1C ZINC000866612654 633212773 /nfs/dbraw/zinc/21/27/73/633212773.db2.gz AYEVQEAVVBHKAS-UWVGGRQHSA-N 1 0 279.771 3.191 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCCn2nccc21)c1ccccc1O ZINC000866633092 633222354 /nfs/dbraw/zinc/22/23/54/633222354.db2.gz FOLRSBSSDKPWNC-UONOGXRCSA-N 1 0 271.364 3.165 20 10 CGCDRO C[C@H]([NH2+]CC[C@@H](O)C1CCCC1)c1ccc(F)cc1[O-] ZINC000866637821 633226203 /nfs/dbraw/zinc/22/62/03/633226203.db2.gz LPIAYFYWACJPBY-XHDPSFHLSA-N 1 0 281.371 3.123 20 10 CGCDRO COc1cccc(C[NH2+][C@@H]2CCCc3ccccc3C2)c1O ZINC000824383377 633240152 /nfs/dbraw/zinc/24/01/52/633240152.db2.gz NPKJQVOOGYRZNB-QGZVFWFLSA-N 1 0 297.398 3.438 20 10 CGCDRO CC[N@H+](Cc1ccc(Br)cc1O)C1CC1 ZINC000824556282 633255286 /nfs/dbraw/zinc/25/52/86/633255286.db2.gz OKIMTTPHLBUJAX-UHFFFAOYSA-N 1 0 270.170 3.139 20 10 CGCDRO CC[C@H]1CCC[C@H]1C[NH2+]Cc1cccc(OC)c1O ZINC000824653491 633269035 /nfs/dbraw/zinc/26/90/35/633269035.db2.gz BUESMXQJZZAITE-STQMWFEESA-N 1 0 263.381 3.317 20 10 CGCDRO CC(C)=CCC[C@@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000824677520 633272376 /nfs/dbraw/zinc/27/23/76/633272376.db2.gz FJGFCYIDGXQFHF-GFCCVEGCSA-N 1 0 277.364 3.345 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](SC)C2)cc1 ZINC000824683579 633272482 /nfs/dbraw/zinc/27/24/82/633272482.db2.gz QLNKKHYLLZIHHC-MRXNPFEDSA-N 1 0 278.465 3.470 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c1O ZINC000824695710 633275455 /nfs/dbraw/zinc/27/54/55/633275455.db2.gz BKUGWDCMHZQVIK-BRWVUGGUSA-N 1 0 289.419 3.216 20 10 CGCDRO CN(C)c1ccc(C[N@H+](CCC[C@@H]2CCO2)C2CC2)cc1 ZINC000876571017 634860207 /nfs/dbraw/zinc/86/02/07/634860207.db2.gz RQMDAANXDNDLHY-GOSISDBHSA-N 1 0 288.435 3.286 20 10 CGCDRO Cc1cccc(C[NH2+]C[C@@H]2CCOC3(CCC3)C2)c1O ZINC000824750931 633283361 /nfs/dbraw/zinc/28/33/61/633283361.db2.gz PSQVCTRSRJIQGM-CQSZACIVSA-N 1 0 275.392 3.140 20 10 CGCDRO Cc1cccc(C[NH2+]C[C@@H]2CCO[C@@H](C(C)C)C2)c1O ZINC000824800542 633292404 /nfs/dbraw/zinc/29/24/04/633292404.db2.gz ZVSVOCUEFSWFCH-GDBMZVCRSA-N 1 0 277.408 3.241 20 10 CGCDRO Cc1cc(O)c(C[N@H+](C)CCc2nccs2)cc1Cl ZINC000824906646 633303765 /nfs/dbraw/zinc/30/37/65/633303765.db2.gz QZJKIZBPOABGPC-UHFFFAOYSA-N 1 0 296.823 3.485 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@]3(CCSC3)C2)c1 ZINC000825214977 633336208 /nfs/dbraw/zinc/33/62/08/633336208.db2.gz CGQFOEZIBDELQB-INIZCTEOSA-N 1 0 293.432 3.120 20 10 CGCDRO CC[C@@H]1CC[C@H](C)[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000825207856 633336359 /nfs/dbraw/zinc/33/63/59/633336359.db2.gz ORAFLCJYRKJUPI-QWHCGFSZSA-N 1 0 293.407 3.420 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]CC2(COC)CCCC2)c1 ZINC000825246175 633338557 /nfs/dbraw/zinc/33/85/57/633338557.db2.gz ZIIYQVXYDPESLJ-UHFFFAOYSA-N 1 0 293.407 3.087 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H](CCO)CC(C)C)cc1Cl ZINC000825320597 633344905 /nfs/dbraw/zinc/34/49/05/633344905.db2.gz NBYVSFKBTPBQBE-ZDUSSCGKSA-N 1 0 299.842 3.488 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCC[C@@H]3OCC[C@@H]32)cc1Cl ZINC000825338059 633346818 /nfs/dbraw/zinc/34/68/18/633346818.db2.gz RLSYRNGJYPBXLH-XPKDYRNWSA-N 1 0 295.810 3.401 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@]2(C)CCCO2)cc1Cl ZINC000825358644 633348624 /nfs/dbraw/zinc/34/86/24/633348624.db2.gz UEHOKGGOJGFQDE-AWEZNQCLSA-N 1 0 269.772 3.013 20 10 CGCDRO CC[C@](C)(C[NH2+]Cc1cc(Cl)c(C)cc1O)OC ZINC000826054222 633400972 /nfs/dbraw/zinc/40/09/72/633400972.db2.gz SLGQUAJQPOHZQL-CQSZACIVSA-N 1 0 271.788 3.259 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000827370549 633485936 /nfs/dbraw/zinc/48/59/36/633485936.db2.gz GQMAWMVMZLHFMZ-CABCVRRESA-N 1 0 276.424 3.060 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCOC2(C)C)cc1Cl ZINC000827704351 633511278 /nfs/dbraw/zinc/51/12/78/633511278.db2.gz BRLOTDXYWNASQP-GFCCVEGCSA-N 1 0 283.799 3.259 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@](C)(COC)C2)cc1 ZINC000830529788 633869337 /nfs/dbraw/zinc/86/93/37/633869337.db2.gz PCWFEDQJNQAWOX-QGZVFWFLSA-N 1 0 276.424 3.001 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)cc1C)[C@H]1CCCOC1 ZINC000872034435 633952967 /nfs/dbraw/zinc/95/29/67/633952967.db2.gz JCKMZEAPPCQYOI-WMZOPIPTSA-N 1 0 290.451 3.356 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@H](OC)C(C)(C)C2)cc1 ZINC000831546914 633974737 /nfs/dbraw/zinc/97/47/37/633974737.db2.gz CUGMZASGWIHPOE-QGZVFWFLSA-N 1 0 290.451 3.390 20 10 CGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@@]3(CC3(F)F)C2)cc1 ZINC000846118259 636147721 /nfs/dbraw/zinc/14/77/21/636147721.db2.gz WISIJZRRCRHKKH-QDLOVBKTSA-N 1 0 292.373 3.497 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@@H]3CCC[C@@H]3O2)c(O)c1 ZINC000872109298 634034152 /nfs/dbraw/zinc/03/41/52/634034152.db2.gz KYTKYEBYCSPRAF-WSMBLCCSSA-N 1 0 275.392 3.309 20 10 CGCDRO CC(C)CC[C@](C)(O)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000124039398 634103396 /nfs/dbraw/zinc/10/33/96/634103396.db2.gz PATXHLGLEAFSTG-KRWDZBQOSA-N 1 0 278.440 3.029 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]CCOc1cccc(F)c1)CC2 ZINC000834526578 634176733 /nfs/dbraw/zinc/17/67/33/634176733.db2.gz KNIJNBLCGOXUEI-HNNXBMFYSA-N 1 0 287.334 3.187 20 10 CGCDRO C[C@H]1C[C@@H]([NH2+]CCCSc2nccs2)c2nccn21 ZINC000834592407 634192882 /nfs/dbraw/zinc/19/28/82/634192882.db2.gz ACCAWOODGXBTRM-WDEREUQCSA-N 1 0 294.449 3.117 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]CCc1cc(F)ccc1F)CC2 ZINC000834611432 634196806 /nfs/dbraw/zinc/19/68/06/634196806.db2.gz KBUIAMQZQYACNW-HNNXBMFYSA-N 1 0 289.325 3.490 20 10 CGCDRO CCOc1cccc(F)c1C[NH2+]Cc1ccccc1O ZINC000873036072 634235205 /nfs/dbraw/zinc/23/52/05/634235205.db2.gz RWHINKHCMHTVFH-UHFFFAOYSA-N 1 0 275.323 3.220 20 10 CGCDRO CCCOc1ccc(C[NH2+]C[C@H](C)C[C@@H](C)O)cc1C ZINC000873058235 634238572 /nfs/dbraw/zinc/23/85/72/634238572.db2.gz DKNRQZLYUUUROB-UKRRQHHQSA-N 1 0 279.424 3.280 20 10 CGCDRO CCn1ccnc1[C@@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000834768593 634239346 /nfs/dbraw/zinc/23/93/46/634239346.db2.gz CPSZDHDXMOVNKX-UONOGXRCSA-N 1 0 286.423 3.381 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]CC1(C(F)(F)F)CC1)CC2 ZINC000834798692 634243576 /nfs/dbraw/zinc/24/35/76/634243576.db2.gz NTFCGXFXLACZCU-SNVBAGLBSA-N 1 0 271.282 3.312 20 10 CGCDRO CCCN(CC)C[C@@H](C)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834807926 634245500 /nfs/dbraw/zinc/24/55/00/634245500.db2.gz UXPKNZVWGMAALX-HIFRSBDPSA-N 1 0 276.424 3.090 20 10 CGCDRO CCCOc1ccc(C[NH2+]CC[C@H]2CCOC2)cc1C ZINC000873103468 634246309 /nfs/dbraw/zinc/24/63/09/634246309.db2.gz CMTATHOOTNZUSM-HNNXBMFYSA-N 1 0 277.408 3.300 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@@H](C)c2cn[nH]c2)cc1C ZINC000873098971 634246337 /nfs/dbraw/zinc/24/63/37/634246337.db2.gz XBYXMGFPZQULOE-ZDUSSCGKSA-N 1 0 273.380 3.358 20 10 CGCDRO C[C@H]([NH2+]CC1=CCOCC1)c1cc(Cl)ccc1O ZINC000834859867 634258100 /nfs/dbraw/zinc/25/81/00/634258100.db2.gz KYZCMTQEVCMCEK-JTQLQIEISA-N 1 0 267.756 3.043 20 10 CGCDRO C[C@H](CCCCO)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000834878975 634263119 /nfs/dbraw/zinc/26/31/19/634263119.db2.gz UYBUBGJKUZLTOT-KGLIPLIRSA-N 1 0 291.435 3.473 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC2(CF)CCOCC2)c1 ZINC000834885593 634266397 /nfs/dbraw/zinc/26/63/97/634266397.db2.gz KWWUBGQGJYZJTR-CYBMUJFWSA-N 1 0 281.371 3.118 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CC2(CF)CCOCC2)c(O)c1 ZINC000834886697 634267773 /nfs/dbraw/zinc/26/77/73/634267773.db2.gz VPXYLMLAYBTYTM-CQSZACIVSA-N 1 0 295.398 3.426 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2C[C@@H](C)n3ccnc32)c1 ZINC000834892634 634270761 /nfs/dbraw/zinc/27/07/61/634270761.db2.gz CCKWGAXWSDNLMA-DYEKYZERSA-N 1 0 271.364 3.254 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCO[C@H](c2ccncc2)C1)c1ccccc1O ZINC000834894906 634271690 /nfs/dbraw/zinc/27/16/90/634271690.db2.gz VXGSFEFFSGJHLT-YEWWUXTCSA-N 1 0 298.386 3.358 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)Cc2cnn(C)c2)c(O)c1C ZINC000834895935 634273261 /nfs/dbraw/zinc/27/32/61/634273261.db2.gz FLSCCHDWDZCIGL-GXTWGEPZSA-N 1 0 287.407 3.024 20 10 CGCDRO CCC1(C[NH2+][C@@H](C)c2cc(Cl)ccc2O)COC1 ZINC000834899451 634276231 /nfs/dbraw/zinc/27/62/31/634276231.db2.gz KHWRZMQRJKBEJD-JTQLQIEISA-N 1 0 269.772 3.123 20 10 CGCDRO CCc1ncc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)o1 ZINC000834899592 634276911 /nfs/dbraw/zinc/27/69/11/634276911.db2.gz LBFHKDVTTRBXKX-GFCCVEGCSA-N 1 0 273.380 3.154 20 10 CGCDRO COc1cccnc1C[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000834906653 634282327 /nfs/dbraw/zinc/28/23/27/634282327.db2.gz RFMMAVNGZNNEAD-SNVBAGLBSA-N 1 0 292.766 3.300 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2COCC2(C)C)c1O ZINC000834905810 634282487 /nfs/dbraw/zinc/28/24/87/634282487.db2.gz WNBGGYSZYIXIOS-MFKMUULPSA-N 1 0 283.799 3.430 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2Cc3ccccc3CN2)c(O)c1 ZINC000873292783 634322946 /nfs/dbraw/zinc/32/29/46/634322946.db2.gz DPMXKVYDFBOUSS-RHSMWYFYSA-N 1 0 296.414 3.066 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2Cc3ccccc3CN2)c(O)c1 ZINC000873292784 634322965 /nfs/dbraw/zinc/32/29/65/634322965.db2.gz DPMXKVYDFBOUSS-WMLDXEAASA-N 1 0 296.414 3.066 20 10 CGCDRO CN(C)c1ccc(/C=C/C[N@H+](C)Cc2ccco2)cc1 ZINC000835025301 634323999 /nfs/dbraw/zinc/32/39/99/634323999.db2.gz HMOUTTGWLJFXHE-GQCTYLIASA-N 1 0 270.376 3.491 20 10 CGCDRO CCOC[C@@H]1CC[N@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835030013 634325682 /nfs/dbraw/zinc/32/56/82/634325682.db2.gz YTZVTYHALZMAFX-FUTAKVPZSA-N 1 0 288.435 3.124 20 10 CGCDRO CN(C)c1ccc(/C=C/C[N@H+](C)CC2CCOCC2)cc1 ZINC000835029431 634325778 /nfs/dbraw/zinc/32/57/78/634325778.db2.gz QVYJYPKFTCYHCG-SNAWJCMRSA-N 1 0 288.435 3.124 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+]Cc2cccc(CO)c2)cc1 ZINC000835037753 634328072 /nfs/dbraw/zinc/32/80/72/634328072.db2.gz MLPPUTCKVLHYLY-QPJJXVBHSA-N 1 0 296.414 3.048 20 10 CGCDRO Cc1ncc(C[NH2+]C/C=C/c2ccc(N(C)C)cc2)s1 ZINC000835037711 634328267 /nfs/dbraw/zinc/32/82/67/634328267.db2.gz LSDJCDWDNQXHAZ-SNAWJCMRSA-N 1 0 287.432 3.321 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H]2CCCSC2)cc1 ZINC000835042596 634330301 /nfs/dbraw/zinc/33/03/01/634330301.db2.gz KRETVPHYVWHUNB-SJDLMVEWSA-N 1 0 276.449 3.251 20 10 CGCDRO CC[C@@H](CSC)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835042229 634330717 /nfs/dbraw/zinc/33/07/17/634330717.db2.gz FLNSETAJMGDMLS-LFAOLKIESA-N 1 0 278.465 3.497 20 10 CGCDRO COCCC1(C[NH2+]C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000835043580 634331513 /nfs/dbraw/zinc/33/15/13/634331513.db2.gz SFAIIAQRAFPPPO-PLNGDYQASA-N 1 0 288.435 3.172 20 10 CGCDRO CO[C@@H]1C[N@H+](C/C=C/c2ccc(N(C)C)cc2)CC[C@H]1C ZINC000835045140 634332634 /nfs/dbraw/zinc/33/26/34/634332634.db2.gz JQEQOYQVTNSJEI-CDZANEANSA-N 1 0 288.435 3.123 20 10 CGCDRO CO[C@@H]1CC[N@H+](C/C=C\c2ccc(N(C)C)cc2)C[C@@H]1C ZINC000835054009 634338034 /nfs/dbraw/zinc/33/80/34/634338034.db2.gz GONXGAYFQZDQFK-RBVSRTDUSA-N 1 0 288.435 3.123 20 10 CGCDRO Cc1ccc(C[NH+]2C[C@H](C)S[C@@H](C)C2)c(O)c1 ZINC000876642729 634874265 /nfs/dbraw/zinc/87/42/65/634874265.db2.gz KRWIGFANJDKGKV-RYUDHWBXSA-N 1 0 251.395 3.026 20 10 CGCDRO Cc1ccc(C[N@H+](CCO)[C@H]2CCc3ccccc32)c(O)c1 ZINC000876737680 634888447 /nfs/dbraw/zinc/88/84/47/634888447.db2.gz VOIRJUKEJCAQRY-SFHVURJKSA-N 1 0 297.398 3.182 20 10 CGCDRO CC1([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCCC1 ZINC000876897573 634923414 /nfs/dbraw/zinc/92/34/14/634923414.db2.gz FAVKCEHNWVZUKE-UHFFFAOYSA-N 1 0 288.435 3.070 20 10 CGCDRO COc1ccc(CC[NH2+]Cc2ccc(C)cc2O)cc1 ZINC000876894801 634923617 /nfs/dbraw/zinc/92/36/17/634923617.db2.gz RYTXGQXHFWNQSI-UHFFFAOYSA-N 1 0 271.360 3.042 20 10 CGCDRO COC[C@@H]([NH2+]Cc1ccc(C)cc1O)c1ccccc1 ZINC000877032697 634957349 /nfs/dbraw/zinc/95/73/49/634957349.db2.gz OXZUEARYAZVWGF-MRXNPFEDSA-N 1 0 271.360 3.178 20 10 CGCDRO Cc1noc(C)c1[C@@H](C)[NH2+]Cc1ccc(C)cc1O ZINC000877045642 634962915 /nfs/dbraw/zinc/96/29/15/634962915.db2.gz DFZNLUOFRIDPNP-SNVBAGLBSA-N 1 0 260.337 3.156 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H](c2cnn(C)c2)C(C)(C)C)c(O)c1 ZINC000877076138 634973526 /nfs/dbraw/zinc/97/35/26/634973526.db2.gz MMXUSWYOQNPCEH-INIZCTEOSA-N 1 0 287.407 3.311 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H]2CCCC(F)(F)C2)c(O)c1 ZINC000877089057 634981664 /nfs/dbraw/zinc/98/16/64/634981664.db2.gz KVIYVCRIKVBJAU-GFCCVEGCSA-N 1 0 255.308 3.368 20 10 CGCDRO Cc1ccc(C[NH2+][C@H](C)c2cnccc2C)c(O)c1 ZINC000877135379 634997735 /nfs/dbraw/zinc/99/77/35/634997735.db2.gz BAWODKQBHGBUSQ-CYBMUJFWSA-N 1 0 256.349 3.255 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCOCC2(CCCC2)C1 ZINC000877419216 635038348 /nfs/dbraw/zinc/03/83/48/635038348.db2.gz OSFWXDFHDIFFEW-UHFFFAOYSA-N 1 0 275.392 3.093 20 10 CGCDRO CC[C@H]([NH2+]CCc1cn(C)cn1)c1cc(Cl)ccc1O ZINC000840767970 635049658 /nfs/dbraw/zinc/04/96/58/635049658.db2.gz XVHJMIXVEHSFBG-AWEZNQCLSA-N 1 0 293.798 3.063 20 10 CGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@H]1CS[C@H](C)C1 ZINC000877477359 635051084 /nfs/dbraw/zinc/05/10/84/635051084.db2.gz BLXXLHNVGWFGPI-IUODEOHRSA-N 1 0 264.438 3.256 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCO[C@H]1CC)c1ccc(C)cc1O ZINC000840820034 635058692 /nfs/dbraw/zinc/05/86/92/635058692.db2.gz FZWALUFSMYYOPK-LZWOXQAQSA-N 1 0 263.381 3.309 20 10 CGCDRO Cc1ccc(C[NH2+]C[C@H]2CCC(F)(F)C2)c(O)c1 ZINC000877494326 635059248 /nfs/dbraw/zinc/05/92/48/635059248.db2.gz JXVNDNQRIMINQO-NSHDSACASA-N 1 0 255.308 3.226 20 10 CGCDRO Cc1ccc(C[NH2+]CC(C)(C)C(F)(F)F)c(O)c1 ZINC000877502543 635063221 /nfs/dbraw/zinc/06/32/21/635063221.db2.gz LUKFOOXMUQNNBV-UHFFFAOYSA-N 1 0 261.287 3.379 20 10 CGCDRO CCOC1CC2(C1)CC[N@H+](Cc1ccc(C)cc1O)C2 ZINC000877520165 635069722 /nfs/dbraw/zinc/06/97/22/635069722.db2.gz OZQDJKYLPBGHDB-UHFFFAOYSA-N 1 0 275.392 3.092 20 10 CGCDRO Cc1csc(CC[NH2+]Cc2c(O)cc(C)cc2Cl)n1 ZINC000840881418 635072352 /nfs/dbraw/zinc/07/23/52/635072352.db2.gz YTICRPQKYRFGEI-UHFFFAOYSA-N 1 0 296.823 3.451 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000840894740 635077233 /nfs/dbraw/zinc/07/72/33/635077233.db2.gz SFLVSDOZXOOITA-RLFYNMQTSA-N 1 0 290.451 3.149 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000840894646 635077494 /nfs/dbraw/zinc/07/74/94/635077494.db2.gz RURZHZOYXJBBCO-YQQAZPJKSA-N 1 0 290.451 3.149 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCO[C@H](C)C2)c(Cl)c1 ZINC000840908874 635080116 /nfs/dbraw/zinc/08/01/16/635080116.db2.gz YPMPVXQWZHSTLX-GHMZBOCLSA-N 1 0 269.772 3.011 20 10 CGCDRO CC[N@@H+](Cc1c(O)cc(C)cc1Cl)C[C@H]1CCOC1 ZINC000840909445 635080258 /nfs/dbraw/zinc/08/02/58/635080258.db2.gz CAWIGKXCZUNKQL-GFCCVEGCSA-N 1 0 283.799 3.212 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000840911531 635081218 /nfs/dbraw/zinc/08/12/18/635081218.db2.gz GCRRLDMLGIVNQY-UHFFFAOYSA-N 1 0 298.434 3.164 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000840937736 635085835 /nfs/dbraw/zinc/08/58/35/635085835.db2.gz WEMNJQGXKWWMNQ-HNNXBMFYSA-N 1 0 298.377 3.265 20 10 CGCDRO CC[C@]1(CO)CCC[N@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000840940184 635087191 /nfs/dbraw/zinc/08/71/91/635087191.db2.gz VUAWHMQYKSJHDM-INIZCTEOSA-N 1 0 297.826 3.339 20 10 CGCDRO CCOC[C@H]([NH2+]Cc1ccc(N(C)C)cc1C)C(C)C ZINC000840942166 635088120 /nfs/dbraw/zinc/08/81/20/635088120.db2.gz UQPPHKXEVYAJEH-KRWDZBQOSA-N 1 0 278.440 3.212 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000840943515 635089528 /nfs/dbraw/zinc/08/95/28/635089528.db2.gz TVUAYOOLLDJGLX-ROUUACIJSA-N 1 0 288.435 3.204 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC(C)(C)[C@@H]3COC[C@@H]32)c(Cl)c1 ZINC000840952503 635092561 /nfs/dbraw/zinc/09/25/61/635092561.db2.gz BRVGYPWQKSJBCO-OCCSQVGLSA-N 1 0 295.810 3.211 20 10 CGCDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1cc(C)c(C)cc1O ZINC000840956264 635093110 /nfs/dbraw/zinc/09/31/10/635093110.db2.gz NOINZFVAVGFAND-MJGOQNOKSA-N 1 0 297.398 3.411 20 10 CGCDRO CCOc1ccc(C[NH2+][C@@H]2CCCC[C@H]2F)c(O)c1 ZINC000840961841 635094236 /nfs/dbraw/zinc/09/42/36/635094236.db2.gz FOONFBIHUYUERL-ZIAGYGMSSA-N 1 0 267.344 3.161 20 10 CGCDRO Cc1ccc(C[NH2+]C[C@@H]2CCCC2(F)F)c(O)c1 ZINC000877565703 635094247 /nfs/dbraw/zinc/09/42/47/635094247.db2.gz OEJIBSXRPOWTOD-LBPRGKRZSA-N 1 0 255.308 3.226 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+][C@H]2CS[C@@H](C)C2)c1O ZINC000840959702 635094399 /nfs/dbraw/zinc/09/43/99/635094399.db2.gz YJHLLQBCZAMVBD-JOYOIKCWSA-N 1 0 271.813 3.338 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCSC[C@@H]2C2CC2)c(O)c1 ZINC000877568277 635095203 /nfs/dbraw/zinc/09/52/03/635095203.db2.gz JMVVOZFPJAECBO-CQSZACIVSA-N 1 0 263.406 3.028 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](C3CCC3)C2)c1 ZINC000840979160 635099422 /nfs/dbraw/zinc/09/94/22/635099422.db2.gz WGUHLYBSVMAOCW-CQSZACIVSA-N 1 0 275.392 3.413 20 10 CGCDRO COc1ccc(Cl)cc1C[NH2+]CCc1ccc(N)cc1 ZINC000841035885 635111500 /nfs/dbraw/zinc/11/15/00/635111500.db2.gz JZWQSDBTAIUIGE-UHFFFAOYSA-N 1 0 290.794 3.263 20 10 CGCDRO C[C@H](C[NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1ccccc1 ZINC000841044972 635113360 /nfs/dbraw/zinc/11/33/60/635113360.db2.gz HCBFJUXBRQINGL-BEFAXECRSA-N 1 0 297.446 3.146 20 10 CGCDRO C[C@@H]1CC[C@H]([NH2+]C[C@H](N)c2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000841046021 635114464 /nfs/dbraw/zinc/11/44/64/635114464.db2.gz UOASHSWSAAUUNE-BODMPHMZSA-N 1 0 289.467 3.167 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000841088533 635120087 /nfs/dbraw/zinc/12/00/87/635120087.db2.gz YZYHVKYWKXSMMA-SWLSCSKDSA-N 1 0 294.826 3.010 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCC[C@H](CCF)C2)c(O)c1 ZINC000877630636 635121580 /nfs/dbraw/zinc/12/15/80/635121580.db2.gz HZLLQRYTFFNLIN-CYBMUJFWSA-N 1 0 251.345 3.272 20 10 CGCDRO COCc1csc(C[NH2+]Cc2c(C)cccc2O)c1 ZINC000877631532 635122383 /nfs/dbraw/zinc/12/23/83/635122383.db2.gz VINLCUCIQUUKQF-UHFFFAOYSA-N 1 0 277.389 3.198 20 10 CGCDRO Cc1ccc(C[NH+]2CCC([C@@H]3CCCCO3)CC2)c(O)c1 ZINC000877633172 635124515 /nfs/dbraw/zinc/12/45/15/635124515.db2.gz BPBXFTXXSZOSAB-SFHVURJKSA-N 1 0 289.419 3.482 20 10 CGCDRO CSC(C)(C)CC[NH2+]Cc1cc(C)ccc1O ZINC000877653024 635133046 /nfs/dbraw/zinc/13/30/46/635133046.db2.gz UUMJBDOTGGJRSX-UHFFFAOYSA-N 1 0 253.411 3.322 20 10 CGCDRO Cc1cccc(C[NH2+]C(C)(C)[C@@H]2CCCCO2)c1O ZINC000877702074 635153048 /nfs/dbraw/zinc/15/30/48/635153048.db2.gz JAAJYJICPJPZKB-AWEZNQCLSA-N 1 0 263.381 3.138 20 10 CGCDRO COC(=O)CC(C)(C)C[C@@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000877755659 635184473 /nfs/dbraw/zinc/18/44/73/635184473.db2.gz KHBODLQYNZXOKA-CHWSQXEVSA-N 1 0 293.407 3.411 20 10 CGCDRO CCOc1ccc(C[NH2+][C@@H](C)c2ccccc2O)c(O)c1 ZINC000877757221 635185915 /nfs/dbraw/zinc/18/59/15/635185915.db2.gz PNAYGLSECBMTJG-LBPRGKRZSA-N 1 0 287.359 3.347 20 10 CGCDRO Cc1cccc(C[NH2+]CC2(OC(C)C)CCC2)c1O ZINC000877806307 635209581 /nfs/dbraw/zinc/20/95/81/635209581.db2.gz FAFOGGSPFGDPOH-UHFFFAOYSA-N 1 0 263.381 3.138 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1ccc(Cl)cc1O ZINC000841748191 635224110 /nfs/dbraw/zinc/22/41/10/635224110.db2.gz IHFRHMQYLBBWDF-ZANVPECISA-N 1 0 291.782 3.497 20 10 CGCDRO C/C=C/C[C@H](CO)[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841752365 635225073 /nfs/dbraw/zinc/22/50/73/635225073.db2.gz ORWKAUROCFYBPL-ISBNUJHVSA-N 1 0 269.772 3.023 20 10 CGCDRO C/C=C\C[C@H](CO)[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841752368 635225080 /nfs/dbraw/zinc/22/50/80/635225080.db2.gz ORWKAUROCFYBPL-OIFMLDNNSA-N 1 0 269.772 3.023 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1CC[C@@H](C)O1)c1ccc(Cl)cc1O ZINC000841752821 635227817 /nfs/dbraw/zinc/22/78/17/635227817.db2.gz CIMKVTGAFNDAKT-CKYFFXLPSA-N 1 0 269.772 3.264 20 10 CGCDRO Cc1cnc(CC[NH2+][C@H](C)c2ccc(Cl)cc2O)cn1 ZINC000841759338 635232755 /nfs/dbraw/zinc/23/27/55/635232755.db2.gz YSFHYNKVGAHNKA-LLVKDONJSA-N 1 0 291.782 3.037 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CC2(N(C)C)CC2)c1O ZINC000841763850 635233288 /nfs/dbraw/zinc/23/32/88/635233288.db2.gz RBVWKRGTZCQRIF-NSHDSACASA-N 1 0 282.815 3.099 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CC[C@H](c3cccnc3)C2)c1O ZINC000842624354 635420348 /nfs/dbraw/zinc/42/03/48/635420348.db2.gz YZEMYROWOGNFFW-HNNXBMFYSA-N 1 0 298.386 3.094 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)CO1 ZINC000842776237 635468938 /nfs/dbraw/zinc/46/89/38/635468938.db2.gz ULGKCJDTCSZOCM-CXAGYDPISA-N 1 0 283.371 3.326 20 10 CGCDRO CC[C@H](C)C[C@H](CO)[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000842919949 635512278 /nfs/dbraw/zinc/51/22/78/635512278.db2.gz XEJFNPMJLYQLAR-FPMFFAJLSA-N 1 0 265.397 3.148 20 10 CGCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1ccccc1[N+](=O)[O-] ZINC000843057766 635553659 /nfs/dbraw/zinc/55/36/59/635553659.db2.gz UOMQPNDKAWLLGA-UHFFFAOYSA-N 1 0 297.358 3.006 20 10 CGCDRO CC[C@H]([NH2+]CCCCCC[NH3+])c1ccc(F)cc1[O-] ZINC000843340344 635648410 /nfs/dbraw/zinc/64/84/10/635648410.db2.gz BGSKMOKXOBFLJZ-AWEZNQCLSA-N 1 0 268.376 3.091 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ccc(F)cc1[O-] ZINC000843343720 635651353 /nfs/dbraw/zinc/65/13/53/635651353.db2.gz FZPAPDOBZBMONP-MRXNPFEDSA-N 1 0 288.366 3.231 20 10 CGCDRO CC[C@@H](C)C[C@H](CO)[NH2+]Cc1ccc2ccccc2c1O ZINC000843427939 635671827 /nfs/dbraw/zinc/67/18/27/635671827.db2.gz WUYCROFCSWIKKF-CZUORRHYSA-N 1 0 287.403 3.432 20 10 CGCDRO Cc1nsc(C)c1C[NH2+][C@H](C)c1ccccc1O ZINC000879649140 635826894 /nfs/dbraw/zinc/82/68/94/635826894.db2.gz JHWRVKMLTQTPBH-SECBINFHSA-N 1 0 262.378 3.316 20 10 CGCDRO COC(=O)c1cc(C[NH2+][C@@H](C)c2ccccc2O)cs1 ZINC000879650236 635827056 /nfs/dbraw/zinc/82/70/56/635827056.db2.gz QUZVNWBVJBNVOI-JTQLQIEISA-N 1 0 291.372 3.091 20 10 CGCDRO C[C@H]([NH2+]CCCCCn1cccn1)c1ccccc1O ZINC000879651479 635828287 /nfs/dbraw/zinc/82/82/87/635828287.db2.gz XMKLEANBWYOJLO-AWEZNQCLSA-N 1 0 273.380 3.110 20 10 CGCDRO Cc1cc(C[N@H+]2C[C@H](C)OCC23CCC3)ccc1N(C)C ZINC000844420444 635895369 /nfs/dbraw/zinc/89/53/69/635895369.db2.gz BHJSRUWZXDDOGL-HNNXBMFYSA-N 1 0 288.435 3.204 20 10 CGCDRO Oc1cccc(Cl)c1CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000128314459 635956194 /nfs/dbraw/zinc/95/61/94/635956194.db2.gz VBOSPKJRTDAAOM-DOMZBBRYSA-N 1 0 294.826 3.010 20 10 CGCDRO CC(C)O[C@H]1CCC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000844717654 635956722 /nfs/dbraw/zinc/95/67/22/635956722.db2.gz AJDRAHFDSBHLMA-KRWDZBQOSA-N 1 0 289.419 3.270 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2CCC[C@@H](OC(C)C)C2)cc1C ZINC000844717716 635956759 /nfs/dbraw/zinc/95/67/59/635956759.db2.gz AXJJVRDSKSHKQE-MRXNPFEDSA-N 1 0 277.408 3.398 20 10 CGCDRO CC[C@@H]1CCC[N@H+](Cc2cc(OC)ccc2O)CC1 ZINC000211481069 636090825 /nfs/dbraw/zinc/09/08/25/636090825.db2.gz JAUXYBHJBSXPRS-CYBMUJFWSA-N 1 0 263.381 3.413 20 10 CGCDRO CSCC[C@H](C)[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000129011214 636111293 /nfs/dbraw/zinc/11/12/93/636111293.db2.gz OFUKTZNDIHHKNW-LBPRGKRZSA-N 1 0 284.444 3.465 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(F)nc2C)c1 ZINC000845970835 636125195 /nfs/dbraw/zinc/12/51/95/636125195.db2.gz CWCBNVDKBGVBDM-LLVKDONJSA-N 1 0 290.338 3.094 20 10 CGCDRO CC[C@]1(C)CCC[C@H]1[NH2+]Cc1cccc(OC)c1O ZINC000845970151 636125307 /nfs/dbraw/zinc/12/53/07/636125307.db2.gz KVLMEVZMCZOFEY-GDBMZVCRSA-N 1 0 263.381 3.459 20 10 CGCDRO CCc1cccc(C[NH2+]Cc2cccc(OC)c2O)c1 ZINC000845968705 636125517 /nfs/dbraw/zinc/12/55/17/636125517.db2.gz BLPJJYFHKMASKY-UHFFFAOYSA-N 1 0 271.360 3.253 20 10 CGCDRO Cc1nn(C(C)C)cc1C[NH2+]Cc1cc(Cl)ccc1O ZINC000846055132 636139986 /nfs/dbraw/zinc/13/99/86/636139986.db2.gz JDQQQCIFPMCPOR-UHFFFAOYSA-N 1 0 293.798 3.421 20 10 CGCDRO COc1cc(C)nc(C[NH2+]Cc2cc(Cl)ccc2O)c1 ZINC000846058860 636140792 /nfs/dbraw/zinc/14/07/92/636140792.db2.gz VHCYTLPZFAAVKG-UHFFFAOYSA-N 1 0 292.766 3.047 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@H]2Cc3ccccc3O2)c1O ZINC000846137131 636148717 /nfs/dbraw/zinc/14/87/17/636148717.db2.gz ABGFECBAHHOFRH-GXTWGEPZSA-N 1 0 299.370 3.055 20 10 CGCDRO COc1cccc(C[NH2+][C@@H](C)c2cccc(OC)c2O)c1 ZINC000846137371 636149002 /nfs/dbraw/zinc/14/90/02/636149002.db2.gz OLRBKZAEXUNGCI-LBPRGKRZSA-N 1 0 287.359 3.260 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]C[C@H]2CCCCS2)c1O ZINC000846165548 636150985 /nfs/dbraw/zinc/15/09/85/636150985.db2.gz OLZRCTDVFGNBKF-VXGBXAGGSA-N 1 0 281.421 3.337 20 10 CGCDRO CCc1noc(C)c1C[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846171461 636152980 /nfs/dbraw/zinc/15/29/80/636152980.db2.gz SVDRFKTZFHZBGF-SNVBAGLBSA-N 1 0 290.363 3.110 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2C[C@H]2C2CCC2)c1O ZINC000846175228 636153547 /nfs/dbraw/zinc/15/35/47/636153547.db2.gz YAFCFVKMLHDHCD-DDTOSNHZSA-N 1 0 261.365 3.240 20 10 CGCDRO COCC1CCC([NH2+][C@H](C)c2cccc(OC)c2O)CC1 ZINC000846174894 636153606 /nfs/dbraw/zinc/15/36/06/636153606.db2.gz WNNXRSQBWKSZCC-IYXRBSQSSA-N 1 0 293.407 3.257 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H](C)COCC2CC2)c(O)c1C ZINC000846203966 636157797 /nfs/dbraw/zinc/15/77/97/636157797.db2.gz JDIMPPKDPREKMF-OCCSQVGLSA-N 1 0 277.408 3.475 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+][C@@H]1CCCSC1 ZINC000129237665 636199428 /nfs/dbraw/zinc/19/94/28/636199428.db2.gz RBVCUBKQNAZSKB-LLVKDONJSA-N 1 0 257.786 3.031 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)c1cccc(OC)c1O)[C@H]1CCCCO1 ZINC000848567984 636610352 /nfs/dbraw/zinc/61/03/52/636610352.db2.gz VHLHUZWQBZCOPM-VHDGCEQUSA-N 1 0 293.407 3.399 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CCCN3CCCC[C@H]23)cc1C ZINC000848574196 636612684 /nfs/dbraw/zinc/61/26/84/636612684.db2.gz BKXXESHHNHMKOQ-IAGOWNOFSA-N 1 0 288.435 3.110 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cc(C)c(C)cc1O)[C@@H]1CCCCO1 ZINC000848574174 636613239 /nfs/dbraw/zinc/61/32/39/636613239.db2.gz AZPIHWHVJQKPAU-WBVHZDCISA-N 1 0 277.408 3.446 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(C)c1)[C@@H]1CCCCO1 ZINC000848575170 636613422 /nfs/dbraw/zinc/61/34/22/636613422.db2.gz LJROCVXZVBWZCF-WBVHZDCISA-N 1 0 277.408 3.441 20 10 CGCDRO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]Cc1ccc(OC)cc1O ZINC000131391030 636648112 /nfs/dbraw/zinc/64/81/12/636648112.db2.gz FEMXERANWDPIBQ-JKSUJKDBSA-N 1 0 293.407 3.084 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCC[C@H]2CN2CCCC2)c1O ZINC000848883962 636673830 /nfs/dbraw/zinc/67/38/30/636673830.db2.gz WDDUZZKTFBWNAP-KRWDZBQOSA-N 1 0 288.435 3.015 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@H](OC)C(C)(C)C)c1O ZINC000848897228 636679733 /nfs/dbraw/zinc/67/97/33/636679733.db2.gz GSVHBOCICOVZOW-AWEZNQCLSA-N 1 0 265.397 3.105 20 10 CGCDRO CCc1cccc(C[NH2+]Cc2nc3cc(C)ccc3[nH]2)c1O ZINC000848897610 636679787 /nfs/dbraw/zinc/67/97/87/636679787.db2.gz KFYXSRNISAUPDJ-UHFFFAOYSA-N 1 0 295.386 3.429 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@@H](OC)C(C)(C)C)c1O ZINC000848897229 636679916 /nfs/dbraw/zinc/67/99/16/636679916.db2.gz GSVHBOCICOVZOW-CQSZACIVSA-N 1 0 265.397 3.105 20 10 CGCDRO CCc1cccc(C[NH2+]Cc2ccc3c(c2)COC3)c1O ZINC000848899590 636680618 /nfs/dbraw/zinc/68/06/18/636680618.db2.gz QHUCRRGVGYYZDE-UHFFFAOYSA-N 1 0 283.371 3.275 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCSC[C@H](C)C2)c1O ZINC000848906587 636684277 /nfs/dbraw/zinc/68/42/77/636684277.db2.gz WSSROINKCXNGIP-GFCCVEGCSA-N 1 0 265.422 3.140 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCOc3cc(O)ccc3C2)c1O ZINC000848910213 636686743 /nfs/dbraw/zinc/68/67/43/636686743.db2.gz FVHKLJGZAABRGN-UHFFFAOYSA-N 1 0 299.370 3.055 20 10 CGCDRO CCc1cccc(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c1O ZINC000848913286 636687249 /nfs/dbraw/zinc/68/72/49/636687249.db2.gz SYMIRJVPXIEMTL-HIFRSBDPSA-N 1 0 281.346 3.432 20 10 CGCDRO CCc1cccc(CNc2ccc3c([nH+]2)CCC3)c1O ZINC000848915236 636689088 /nfs/dbraw/zinc/68/90/88/636689088.db2.gz UDSVAJYKOJJOEE-UHFFFAOYSA-N 1 0 268.360 3.450 20 10 CGCDRO CCc1cccc(C[N@@H+]2CC[C@@H](c3cccnc3)C2)c1O ZINC000848919319 636690802 /nfs/dbraw/zinc/69/08/02/636690802.db2.gz JSDDDFUAJYZEHF-MRXNPFEDSA-N 1 0 282.387 3.339 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H]2COCc3ccccc32)c1O ZINC000848918442 636691335 /nfs/dbraw/zinc/69/13/35/636691335.db2.gz ZPRIKEGYEGJYNQ-QGZVFWFLSA-N 1 0 283.371 3.316 20 10 CGCDRO CC[C@H]([NH2+]Cc1cccc(C)c1O)[C@H]1CCCCO1 ZINC000848927861 636700294 /nfs/dbraw/zinc/70/02/94/636700294.db2.gz PFFUHIREXPWIBF-LSDHHAIUSA-N 1 0 263.381 3.138 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CC2(O)CCCCCC2)c1 ZINC000087088609 636789755 /nfs/dbraw/zinc/78/97/55/636789755.db2.gz KHAKDQDJVBNSIQ-AWEZNQCLSA-N 1 0 277.408 3.437 20 10 CGCDRO CC[C@H]([NH2+]CCCSc1nccs1)[C@@H]1CCOC1 ZINC000132275478 636798080 /nfs/dbraw/zinc/79/80/80/636798080.db2.gz CLZUJUDJZJATOW-NEPJUHHUSA-N 1 0 286.466 3.030 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)c3ccncc3)C2)cc1 ZINC000849323217 636809572 /nfs/dbraw/zinc/80/95/72/636809572.db2.gz XIADSFAWXDQTDX-HOCLYGCPSA-N 1 0 297.402 3.020 20 10 CGCDRO CC[C@H](C)[N@H+](C)Cc1cc(Br)ccc1O ZINC000132518232 636814484 /nfs/dbraw/zinc/81/44/84/636814484.db2.gz HRAKQKFOFWIOBO-VIFPVBQESA-N 1 0 272.186 3.385 20 10 CGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)CC(C)C)C2)cc1 ZINC000850346700 637022991 /nfs/dbraw/zinc/02/29/91/637022991.db2.gz XENQKGKIAAQMAD-HUUCEWRRSA-N 1 0 276.424 3.298 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@H]2COC3(CCC3)C2)cc1 ZINC000850368835 637032427 /nfs/dbraw/zinc/03/24/27/637032427.db2.gz CCLNQHBJBNHFMA-OICCZTGUSA-N 1 0 286.419 3.067 20 10 CGCDRO C[C@H]([NH2+]Cc1ccccc1O)C1CCC(F)CC1 ZINC000850395509 637046406 /nfs/dbraw/zinc/04/64/06/637046406.db2.gz IBVBMLMMRLPAFU-DCBWTQNWSA-N 1 0 251.345 3.399 20 10 CGCDRO COC1CC(CC[NH2+][C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000850482155 637085588 /nfs/dbraw/zinc/08/55/88/637085588.db2.gz PTFMNOWWHNYBKO-TUBUQKNSSA-N 1 0 276.424 3.218 20 10 CGCDRO COC1CC(CC[NH2+][C@H](C)c2c(C)cc(C)cc2O)C1 ZINC000850481271 637086207 /nfs/dbraw/zinc/08/62/07/637086207.db2.gz FRDDLXSOUZLBLC-WLYUNCDWSA-N 1 0 277.408 3.475 20 10 CGCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2O)C12CCCC2 ZINC000135237899 637097721 /nfs/dbraw/zinc/09/77/21/637097721.db2.gz SURKRBXTLWYKGY-JKSUJKDBSA-N 1 0 275.392 3.220 20 10 CGCDRO C[C@H]([NH2+][C@H]1C[C@H](O)c2ccccc21)c1ccccc1O ZINC000850530447 637107433 /nfs/dbraw/zinc/10/74/33/637107433.db2.gz YZAXSQHHIIUCKX-KCTSRDHCSA-N 1 0 269.344 3.221 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC[C@@]2(C)CC2(F)F)c1 ZINC000850536680 637112860 /nfs/dbraw/zinc/11/28/60/637112860.db2.gz MHQZWCDAIWOAFM-HZMBPMFUSA-N 1 0 285.334 3.487 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@@]2(C)CC2(F)F)c1O ZINC000850538006 637113474 /nfs/dbraw/zinc/11/34/74/637113474.db2.gz ZUHCGYUPKCTUCG-TVQRCGJNSA-N 1 0 271.307 3.097 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCc3ccc(O)cc32)c1 ZINC000850543719 637115838 /nfs/dbraw/zinc/11/58/38/637115838.db2.gz ONHVHSXWGIYHFT-GTNSWQLSSA-N 1 0 299.370 3.445 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCc2cncc(C)n2)cc1 ZINC000850548891 637118130 /nfs/dbraw/zinc/11/81/30/637118130.db2.gz BLVRSJPSPORCMD-OAHLLOKOSA-N 1 0 298.434 3.134 20 10 CGCDRO CCCN1CC[C@H]([NH2+][C@@H](C)c2cc(Cl)ccc2O)C1 ZINC000850554041 637118898 /nfs/dbraw/zinc/11/88/98/637118898.db2.gz HHJVDXAJCGJOII-AAEUAGOBSA-N 1 0 282.815 3.181 20 10 CGCDRO CC[C@H]([NH2+]CC1(O)CCC(F)(F)CC1)c1ccccc1O ZINC000850565660 637126905 /nfs/dbraw/zinc/12/69/05/637126905.db2.gz DXHWGOAPPDASKF-ZDUSSCGKSA-N 1 0 299.361 3.373 20 10 CGCDRO C[C@H](c1ccccc1)[C@@H](O)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000850573932 637129710 /nfs/dbraw/zinc/12/97/10/637129710.db2.gz TVFAAZGIMBCHAY-QBIMZIAESA-N 1 0 297.398 3.134 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H](c2ccccc2)[C@H](C)O)c(O)c1 ZINC000850584719 637132940 /nfs/dbraw/zinc/13/29/40/637132940.db2.gz SSYJHSMKEUCQET-DEYYWGMASA-N 1 0 285.387 3.473 20 10 CGCDRO CO[C@H]1CCC[C@@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000885953790 637329768 /nfs/dbraw/zinc/32/97/68/637329768.db2.gz GEBQDHCPVQMEGD-CABCVRRESA-N 1 0 294.414 3.329 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)CCOC(F)F)cc1 ZINC000851715847 637473124 /nfs/dbraw/zinc/47/31/24/637473124.db2.gz COWQGJFBFNQOPS-UHFFFAOYSA-N 1 0 286.366 3.204 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cc(C3CC3)no2)c(O)c1 ZINC000886684161 637650492 /nfs/dbraw/zinc/65/04/92/637650492.db2.gz GJEYKSOCTSVATK-LLVKDONJSA-N 1 0 272.348 3.417 20 10 CGCDRO COc1ccc(F)cc1CC[NH2+][C@H](C)c1ccccc1O ZINC000886723954 637673419 /nfs/dbraw/zinc/67/34/19/637673419.db2.gz RKWYMHFEJNVEKG-GFCCVEGCSA-N 1 0 289.350 3.433 20 10 CGCDRO COCC[N@H+](CCF)Cc1cc(C)cc(C(C)(C)C)c1O ZINC000853548585 637866552 /nfs/dbraw/zinc/86/65/52/637866552.db2.gz HVHLCORCZAFCOI-UHFFFAOYSA-N 1 0 297.414 3.416 20 10 CGCDRO Cc1c(C[NH2+][C@@H](C)c2ccccc2O)cccc1[N+](=O)[O-] ZINC000223661366 637882133 /nfs/dbraw/zinc/88/21/33/637882133.db2.gz QVBUPWQSVGLWDM-LBPRGKRZSA-N 1 0 286.331 3.460 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCc3cc(N)ccc32)c1 ZINC000854225589 638027375 /nfs/dbraw/zinc/02/73/75/638027375.db2.gz IJBFCCBPIBOERU-APPDUMDISA-N 1 0 298.386 3.321 20 10 CGCDRO C[NH2+]C[C@@H](C)N[C@H](CCc1ccccc1)c1ccccc1O ZINC000854232233 638030203 /nfs/dbraw/zinc/03/02/03/638030203.db2.gz OIVFPKSESFRQNV-CRAIPNDOSA-N 1 0 298.430 3.264 20 10 CGCDRO Cc1cc(N(C)C)ccc1CN[C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925498333 638244031 /nfs/dbraw/zinc/24/40/31/638244031.db2.gz OKOHVPWXKIMWJB-HNAYVOBHSA-N 1 0 297.446 3.239 20 10 CGCDRO CCc1ccc(C[NH2+]Cc2cc(OC)ccc2O)cc1 ZINC000114505982 638374651 /nfs/dbraw/zinc/37/46/51/638374651.db2.gz OPJJZICPYUFBSI-UHFFFAOYSA-N 1 0 271.360 3.253 20 10 CGCDRO C[C@H]([NH2+]CCCSc1nccs1)c1ccns1 ZINC000925104515 638454623 /nfs/dbraw/zinc/45/46/23/638454623.db2.gz ZYGFOSITUAFDLA-VIFPVBQESA-N 1 0 285.463 3.433 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccsc1 ZINC000115629166 638569982 /nfs/dbraw/zinc/56/99/82/638569982.db2.gz BRRSXGYUOWPBEA-UHFFFAOYSA-N 1 0 260.406 3.412 20 10 CGCDRO CCC[C@@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)OCC ZINC000858210717 638658494 /nfs/dbraw/zinc/65/84/94/638658494.db2.gz XBKPOZJKKHSPQH-AWEZNQCLSA-N 1 0 282.403 3.187 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](C)c2ccns2)c1 ZINC000858317462 638680712 /nfs/dbraw/zinc/68/07/12/638680712.db2.gz PIGSRGCSGZYYPB-JTQLQIEISA-N 1 0 278.377 3.098 20 10 CGCDRO Cc1cccc2c1C[C@@H]([NH2+][C@H](C)c1ccccc1O)CO2 ZINC000858463145 638725930 /nfs/dbraw/zinc/72/59/30/638725930.db2.gz VCINTNOUJJXFFV-ZIAGYGMSSA-N 1 0 283.371 3.355 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cc(F)cc(F)c1[O-] ZINC000858490522 638740411 /nfs/dbraw/zinc/74/04/11/638740411.db2.gz JTMHVVYMYBLHBN-NEPJUHHUSA-N 1 0 298.377 3.053 20 10 CGCDRO C/C=C\C[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000858538418 638757577 /nfs/dbraw/zinc/75/75/77/638757577.db2.gz UOTYBPSCGXYIAL-ZBJFTSOASA-N 1 0 270.170 3.381 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CO[C@H](C3CC3)C2)c(O)c1 ZINC000858548640 638759434 /nfs/dbraw/zinc/75/94/34/638759434.db2.gz WJBRUXXADZWKCN-NOLJZWGESA-N 1 0 275.392 3.227 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2C[C@H]2C(F)(F)F)c1O ZINC000926946463 638828311 /nfs/dbraw/zinc/82/83/11/638828311.db2.gz VFHXRZOCQCOIAY-ATZCPNFKSA-N 1 0 289.297 3.250 20 10 CGCDRO CC(C)[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1cnn(C)c1 ZINC000927066743 638837144 /nfs/dbraw/zinc/83/71/44/638837144.db2.gz DEPOHTNZVFCREH-PBHICJAKSA-N 1 0 285.391 3.100 20 10 CGCDRO CC(C)[C@@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1cnn(C)c1 ZINC000927066744 638837165 /nfs/dbraw/zinc/83/71/65/638837165.db2.gz DEPOHTNZVFCREH-RHSMWYFYSA-N 1 0 285.391 3.100 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]Cc2cccc3c2OCC3)c1O ZINC000927090158 638840122 /nfs/dbraw/zinc/84/01/22/638840122.db2.gz NJDRAHSCTBXQAJ-GFCCVEGCSA-N 1 0 299.370 3.187 20 10 CGCDRO CCC[N@H+](Cc1ccccc1O)[C@H](C)c1ncccn1 ZINC000929753129 638947137 /nfs/dbraw/zinc/94/71/37/638947137.db2.gz LYVIMWGZJVZPJT-CYBMUJFWSA-N 1 0 271.364 3.155 20 10 CGCDRO CCN(C)c1ccc(C[NH2+][C@H]2[C@@H](C)[C@H](C)O[C@H]2C)cc1 ZINC000859829758 639232301 /nfs/dbraw/zinc/23/23/01/639232301.db2.gz IXIYABSLKXILMR-WSMBLCCSSA-N 1 0 276.424 3.044 20 10 CGCDRO CC[C@H]([NH2+]Cc1csc(C)n1)c1ccccc1O ZINC000041010387 639898640 /nfs/dbraw/zinc/89/86/40/639898640.db2.gz DRULYILHJDGAFA-ZDUSSCGKSA-N 1 0 262.378 3.398 20 10 CGCDRO Cc1cc(O)c(C[N@H+](C)Cc2cnn(C)c2)cc1C(C)C ZINC000042093811 639910538 /nfs/dbraw/zinc/91/05/38/639910538.db2.gz AFVGYPFOQGMNGY-UHFFFAOYSA-N 1 0 287.407 3.190 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCOc2ccccc2)c1 ZINC000042895125 639922472 /nfs/dbraw/zinc/92/24/72/639922472.db2.gz CIXFNWAMIIFXQS-CQSZACIVSA-N 1 0 271.360 3.430 20 10 CGCDRO C[C@H]([NH2+][C@@H](C)C1CCC1)c1ccc(N2CCOCC2)cc1 ZINC000155298739 639929748 /nfs/dbraw/zinc/92/97/48/639929748.db2.gz GRXZATONNGNVPB-GJZGRUSLSA-N 1 0 288.435 3.362 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1COc2ccccc2C1)c1ccccc1O ZINC000155437830 639935213 /nfs/dbraw/zinc/93/52/13/639935213.db2.gz MXUOZXWSLFSMFW-GOEBONIOSA-N 1 0 283.371 3.437 20 10 CGCDRO COc1cc(C[N@@H+]2CCC[C@H]2C2CCC2)c(O)cc1C ZINC000160127239 640090995 /nfs/dbraw/zinc/09/09/95/640090995.db2.gz JXTZLGRVERHUHI-HNNXBMFYSA-N 1 0 275.392 3.474 20 10 CGCDRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]Cc1cc(F)ccc1O ZINC000187679478 640093057 /nfs/dbraw/zinc/09/30/57/640093057.db2.gz FTVPTXWRGVRLQL-HOCLYGCPSA-N 1 0 281.371 3.215 20 10 CGCDRO COc1cccc(C[NH2+][C@@H]2CCC[C@@H](C)CC2)c1O ZINC000191112963 640290918 /nfs/dbraw/zinc/29/09/18/640290918.db2.gz DVEPEKVWUQHAOT-TZMCWYRMSA-N 1 0 263.381 3.459 20 10 CGCDRO Cc1ccc(C[C@H](CO)[NH2+][C@H](C)c2cc(C)ccc2O)cc1 ZINC000191587344 640322116 /nfs/dbraw/zinc/32/21/16/640322116.db2.gz HBRMOKRYIFIHLN-NVXWUHKLSA-N 1 0 299.414 3.263 20 10 CGCDRO CCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000078901645 640352611 /nfs/dbraw/zinc/35/26/11/640352611.db2.gz WAEYTRSOLXXHDM-LBPRGKRZSA-N 1 0 282.815 3.237 20 10 CGCDRO COc1cccc(C[NH2+]Cc2c(O)cccc2Cl)c1 ZINC000083551505 640597796 /nfs/dbraw/zinc/59/77/96/640597796.db2.gz DDKPGSCEGNKMNG-UHFFFAOYSA-N 1 0 277.751 3.344 20 10 CGCDRO COc1cccc(C[NH2+]C2C[C@@H](C)C[C@H](C)C2)c1O ZINC000084461446 640606288 /nfs/dbraw/zinc/60/62/88/640606288.db2.gz FSESKUCYPKUJKB-RYUDHWBXSA-N 1 0 263.381 3.315 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]C2(C)Cc3ccccc3C2)c1 ZINC000092853687 640747026 /nfs/dbraw/zinc/74/70/26/640747026.db2.gz MVCQWTRRFNIGIP-UHFFFAOYSA-N 1 0 267.372 3.348 20 10 CGCDRO CSC[C@H]1CCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000093760562 640781458 /nfs/dbraw/zinc/78/14/58/640781458.db2.gz JIEWUJKSDMNNDJ-OAHLLOKOSA-N 1 0 264.438 3.080 20 10 CGCDRO CC[N@@H+](Cc1cc(C)c(C)cc1O)C[C@H]1CCCO1 ZINC000098051748 640893234 /nfs/dbraw/zinc/89/32/34/640893234.db2.gz GHQIPMAWVHPHQV-OAHLLOKOSA-N 1 0 263.381 3.010 20 10 CGCDRO CC[C@@H](C)[C@@](C)(O)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001251801770 805937252 /nfs/dbraw/zinc/93/72/52/805937252.db2.gz UUGHZGCWLNHZGJ-QAPCUYQASA-N 1 0 290.451 3.174 20 10 CGCDRO CCCC[C@H](O)C[NH2+]Cc1cc2ccccc2cc1O ZINC001252116049 806004458 /nfs/dbraw/zinc/00/44/58/806004458.db2.gz VPTRACVOIQIECD-INIZCTEOSA-N 1 0 273.376 3.186 20 10 CGCDRO CC[N@H+](Cc1ccccc1O)C[C@](C)(O)c1ccccc1 ZINC001253103498 806168593 /nfs/dbraw/zinc/16/85/93/806168593.db2.gz DRGCVNGHCCXBIY-SFHVURJKSA-N 1 0 285.387 3.122 20 10 CGCDRO Oc1ccc(C[NH2+]C2CCc3ccccc3CC2)cc1O ZINC001254452267 806405291 /nfs/dbraw/zinc/40/52/91/806405291.db2.gz HZCBXMFHMSADBC-UHFFFAOYSA-N 1 0 283.371 3.135 20 10 CGCDRO COC[C@H](C)[NH2+][C@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001255568196 806675472 /nfs/dbraw/zinc/67/54/72/806675472.db2.gz RWTAOBRPSINUSK-LRDDRELGSA-N 1 0 277.408 3.257 20 10 CGCDRO CC[C@H]1CCCC[N@@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000037322991 798866213 /nfs/dbraw/zinc/86/62/13/798866213.db2.gz MNYOOGHXWWNREK-AWEZNQCLSA-N 1 0 279.355 3.498 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CCc2cccnc2)cc1 ZINC000037502589 798868555 /nfs/dbraw/zinc/86/85/55/798868555.db2.gz OJKNVCGCLREOSO-UHFFFAOYSA-N 1 0 283.419 3.260 20 10 CGCDRO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H]2C)c1O ZINC000037911478 798878814 /nfs/dbraw/zinc/87/88/14/798878814.db2.gz VVGUDXAPJXGXOK-SECBINFHSA-N 1 0 267.756 3.233 20 10 CGCDRO COc1cccc(C[NH2+]CCc2ccc(F)cc2F)c1O ZINC000069877758 798914520 /nfs/dbraw/zinc/91/45/20/798914520.db2.gz ZSJQJXSWHPOPPK-UHFFFAOYSA-N 1 0 293.313 3.011 20 10 CGCDRO Cc1cccc(OCC[NH2+]Cc2cc(C)ccc2O)c1 ZINC000071408565 798917421 /nfs/dbraw/zinc/91/74/21/798917421.db2.gz YODFZLZYLXVOOI-UHFFFAOYSA-N 1 0 271.360 3.178 20 10 CGCDRO COc1ccc(C[NH+]2CCC(C(C)C)CC2)c(O)c1 ZINC000093682607 798965263 /nfs/dbraw/zinc/96/52/63/798965263.db2.gz KWJKBHMAFSLYMO-UHFFFAOYSA-N 1 0 263.381 3.269 20 10 CGCDRO Oc1cccc(Cl)c1C[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000310725017 799222521 /nfs/dbraw/zinc/22/25/21/799222521.db2.gz SXRBZSAPWFQQEF-QMMMGPOBSA-N 1 0 279.689 3.430 20 10 CGCDRO CO[C@H](CN1CCCc2cc(C[NH3+])ccc21)c1ccccc1 ZINC000379121014 799347499 /nfs/dbraw/zinc/34/74/99/799347499.db2.gz LWTMHIHEHFLNRS-LJQANCHMSA-N 1 0 296.414 3.286 20 10 CGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]CC1=CCCOC1 ZINC000379736154 799353776 /nfs/dbraw/zinc/35/37/76/799353776.db2.gz MHBCMGKTRXFGJQ-GXTWGEPZSA-N 1 0 273.376 3.185 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCS[C@@H]2C)c(O)c1 ZINC000379934886 799354646 /nfs/dbraw/zinc/35/46/46/799354646.db2.gz VNURCYIEMJQQRR-LOWVWBTDSA-N 1 0 251.395 3.245 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+][C@@H]1CCC(F)(F)C1 ZINC000383903818 799410080 /nfs/dbraw/zinc/41/00/80/799410080.db2.gz XBGWDESDJOMHTN-MRVPVSSYSA-N 1 0 261.699 3.323 20 10 CGCDRO Cc1nc(C)c(C[NH2+]Cc2cc(Cl)ccc2O)s1 ZINC000385648133 799427447 /nfs/dbraw/zinc/42/74/47/799427447.db2.gz AIKHSKAUIVKSFZ-UHFFFAOYSA-N 1 0 282.796 3.409 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)[C@@H]1C ZINC000385662617 799427766 /nfs/dbraw/zinc/42/77/66/799427766.db2.gz ONDSCWPIOUMJEV-CPUCHLNUSA-N 1 0 258.409 3.421 20 10 CGCDRO CCC[C@H](C[NH2+][C@H](C)c1cc(C)ccc1O)OC ZINC000386043129 799430306 /nfs/dbraw/zinc/43/03/06/799430306.db2.gz FCDDIBCROHKQJS-CHWSQXEVSA-N 1 0 251.370 3.166 20 10 CGCDRO CO[C@@H]([C@H](C)[NH2+][C@@H](C)c1ccc(C)cc1O)C1CC1 ZINC000388281183 799451346 /nfs/dbraw/zinc/45/13/46/799451346.db2.gz MLBFZSVPYYULTQ-MKBNYLNASA-N 1 0 263.381 3.165 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CCCC2(C)C)c1 ZINC000388660799 799454938 /nfs/dbraw/zinc/45/49/38/799454938.db2.gz GDVOZGARIUOGOT-ZDUSSCGKSA-N 1 0 263.381 3.317 20 10 CGCDRO CCC1(C[NH2+]Cc2cc(Cl)ccc2O)CCOCC1 ZINC000389027181 799458671 /nfs/dbraw/zinc/45/86/71/799458671.db2.gz CHDWNRNTDYFHHQ-UHFFFAOYSA-N 1 0 283.799 3.342 20 10 CGCDRO CCC1([NH2+]Cc2cc3c(cc2O)OCO3)CCCCC1 ZINC000389485868 799463760 /nfs/dbraw/zinc/46/37/60/799463760.db2.gz AKVUHDVDFVKWCW-UHFFFAOYSA-N 1 0 277.364 3.323 20 10 CGCDRO CC(F)(F)CCC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000390224942 799469647 /nfs/dbraw/zinc/46/96/47/799469647.db2.gz BLCSXPNAZAWVLP-UHFFFAOYSA-N 1 0 298.377 3.048 20 10 CGCDRO CCOc1cccc(C[NH2+]C[C@H]2CCCC2(F)F)c1O ZINC000390848549 799475760 /nfs/dbraw/zinc/47/57/60/799475760.db2.gz GSVCWFNYOPEPLR-GFCCVEGCSA-N 1 0 285.334 3.316 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@]2(C)CC=CCC2)c1O ZINC000398440014 799530859 /nfs/dbraw/zinc/53/08/59/799530859.db2.gz XLHBXMKAPQOQKQ-INIZCTEOSA-N 1 0 261.365 3.379 20 10 CGCDRO CCOc1cccc(C[NH+]2C[C@@H](CC)O[C@H](CC)C2)c1O ZINC000398733704 799532898 /nfs/dbraw/zinc/53/28/98/799532898.db2.gz NJEOIEJDHMFRKY-HUUCEWRRSA-N 1 0 293.407 3.180 20 10 CGCDRO C[C@@H]1COCCC[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC000398921984 799533314 /nfs/dbraw/zinc/53/33/14/799533314.db2.gz LWEKDDFFWMKZNY-CYBMUJFWSA-N 1 0 271.360 3.156 20 10 CGCDRO Oc1ccccc1C[NH2+]CC[C@H]1CC1(Cl)Cl ZINC000399263270 799537002 /nfs/dbraw/zinc/53/70/02/799537002.db2.gz UREDSCGPXXNMDU-JTQLQIEISA-N 1 0 260.164 3.066 20 10 CGCDRO C[C@H](Cc1ccc(F)cc1)[NH2+]CCc1ccc(O)c(O)c1 ZINC001255858988 806772595 /nfs/dbraw/zinc/77/25/95/806772595.db2.gz MVWWWVWXIBMVCE-GFCCVEGCSA-N 1 0 289.350 3.000 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2COC3(CCC3)C2)c1 ZINC000688283052 799746085 /nfs/dbraw/zinc/74/60/85/799746085.db2.gz NDEASNFEHJRDKS-STQMWFEESA-N 1 0 261.365 3.063 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2COC3(CCC3)C2)c(O)c1 ZINC000688285668 799747684 /nfs/dbraw/zinc/74/76/84/799747684.db2.gz ZJBSGQKZHSBDHP-QWHCGFSZSA-N 1 0 261.365 3.063 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@]2(C)CC2(F)F)c1 ZINC000689250446 799763411 /nfs/dbraw/zinc/76/34/11/799763411.db2.gz HBFAERQIEGMMRK-NOZJJQNGSA-N 1 0 271.307 3.097 20 10 CGCDRO CCOCC(C)(C)C[NH2+]Cc1cccc(CC)c1O ZINC000691443300 799783339 /nfs/dbraw/zinc/78/33/39/799783339.db2.gz FUQCHYGQYBQEDO-UHFFFAOYSA-N 1 0 265.397 3.107 20 10 CGCDRO CCSC1(C[NH2+][C@H](C)c2cc(OC)ccc2O)CC1 ZINC000691826546 799788672 /nfs/dbraw/zinc/78/86/72/799788672.db2.gz BMLCILHKVFLTBG-LLVKDONJSA-N 1 0 281.421 3.337 20 10 CGCDRO C[C@H](C[NH2+]Cc1cc(Cl)ccc1O)c1ccccn1 ZINC000692655821 799795622 /nfs/dbraw/zinc/79/56/22/799795622.db2.gz GHWDMCZQKYRSEB-LLVKDONJSA-N 1 0 276.767 3.334 20 10 CGCDRO CO[C@@H](C[NH2+][C@@H](C)c1ccccc1O)C1CCCC1 ZINC000692933530 799804889 /nfs/dbraw/zinc/80/48/89/799804889.db2.gz JJAFCENZTYFFPQ-LRDDRELGSA-N 1 0 263.381 3.248 20 10 CGCDRO COc1ccc(C[NH2+]C2CCC3(CC3)CC2)c(O)c1 ZINC000695724969 799833343 /nfs/dbraw/zinc/83/33/43/799833343.db2.gz TYMPSACVIYXQRI-UHFFFAOYSA-N 1 0 261.365 3.213 20 10 CGCDRO COc1cccc(C[NH2+][C@H]2CCCC3(CC3)C2)c1O ZINC000695748151 799833968 /nfs/dbraw/zinc/83/39/68/799833968.db2.gz GPQBYOXBQKYXDC-ZDUSSCGKSA-N 1 0 261.365 3.213 20 10 CGCDRO COC[C@@H]1CCCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000696612945 799841519 /nfs/dbraw/zinc/84/15/19/799841519.db2.gz ZOZIAFLZJRQOSX-GFCCVEGCSA-N 1 0 283.799 3.294 20 10 CGCDRO CC(C)O[C@@H]1CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000701719964 799893761 /nfs/dbraw/zinc/89/37/61/799893761.db2.gz KKZBEMLRFAMITQ-LLVKDONJSA-N 1 0 269.772 3.045 20 10 CGCDRO CCc1cccc(C[NH2+]CC[C@@H]2CC2(F)F)c1O ZINC000701955594 799900874 /nfs/dbraw/zinc/90/08/74/799900874.db2.gz ABNFJHRHXHPSLE-GFCCVEGCSA-N 1 0 255.308 3.090 20 10 CGCDRO FC1(F)C[C@H]1CC[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000701973923 799901316 /nfs/dbraw/zinc/90/13/16/799901316.db2.gz ZUTHCAKPLZMHNL-CQSZACIVSA-N 1 0 280.362 3.422 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]CCC1(F)CCC1 ZINC000702519404 799910032 /nfs/dbraw/zinc/91/00/32/799910032.db2.gz KCGKMIAPKBUDRU-UHFFFAOYSA-N 1 0 257.736 3.418 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CC[C@H]2CCSC2)c1 ZINC000704790559 799939673 /nfs/dbraw/zinc/93/96/73/799939673.db2.gz OMVCUHRIBZRIQI-STQMWFEESA-N 1 0 265.422 3.494 20 10 CGCDRO CC[C@H](C)[NH2+]Cc1c(O)cccc1Br ZINC000706809778 799967863 /nfs/dbraw/zinc/96/78/63/799967863.db2.gz MYJLASXAYBQEHX-QMMMGPOBSA-N 1 0 258.159 3.043 20 10 CGCDRO C[C@H]([NH2+]Cc1c(O)cccc1Br)C1(C)CC1 ZINC000706857885 799969462 /nfs/dbraw/zinc/96/94/62/799969462.db2.gz LHMYYTRUXAVLEA-VIFPVBQESA-N 1 0 284.197 3.433 20 10 CGCDRO CCC[C@@H](C[NH2+][C@@H](C)c1cc(F)ccc1O)OCC ZINC000707842017 799979570 /nfs/dbraw/zinc/97/95/70/799979570.db2.gz UYMSXVKFKNDOEQ-AAEUAGOBSA-N 1 0 269.360 3.387 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@](C)(C(F)(F)F)C2)c1 ZINC000708617893 799992330 /nfs/dbraw/zinc/99/23/30/799992330.db2.gz IVWRQGJSDLIKTC-CYBMUJFWSA-N 1 0 289.297 3.175 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCCSCC2)c1 ZINC000709543355 800009077 /nfs/dbraw/zinc/00/90/77/800009077.db2.gz OKVQVBHEAMZKGC-CYBMUJFWSA-N 1 0 251.395 3.076 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1CCC(C)(C)CO1)c1ccccc1O ZINC000711236558 800051082 /nfs/dbraw/zinc/05/10/82/800051082.db2.gz ILLIUGGKYBYCAQ-CHWSQXEVSA-N 1 0 263.381 3.248 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1CCC(C)(C)CO1)c1ccccc1O ZINC000711236559 800051374 /nfs/dbraw/zinc/05/13/74/800051374.db2.gz ILLIUGGKYBYCAQ-OLZOCXBDSA-N 1 0 263.381 3.248 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H]2C=CCC2)c1O ZINC000711701555 800069692 /nfs/dbraw/zinc/06/96/92/800069692.db2.gz JPPGIIBZTSIWGH-SNVBAGLBSA-N 1 0 267.756 3.110 20 10 CGCDRO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000716530126 800174588 /nfs/dbraw/zinc/17/45/88/800174588.db2.gz IITVXZPYFDESPN-IPOQPSJVSA-N 1 0 257.377 3.003 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CC[C@H](C3CC3)O2)c1 ZINC000722334379 800316246 /nfs/dbraw/zinc/31/62/46/800316246.db2.gz TXMYJIVGYCEIPE-DXCKQFNASA-N 1 0 275.392 3.309 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(C)c1)[C@@H]1CCCOC1 ZINC000723987270 800348318 /nfs/dbraw/zinc/34/83/18/800348318.db2.gz FRNWTLYMXAKKKF-HZPDHXFCSA-N 1 0 277.408 3.298 20 10 CGCDRO CC[C@H]([NH2+][C@H](CCO)C1CCCC1)c1ccccc1O ZINC000725073273 800372448 /nfs/dbraw/zinc/37/24/48/800372448.db2.gz XPRDFQMWJRYUBQ-JKSUJKDBSA-N 1 0 277.408 3.374 20 10 CGCDRO COc1cccc(C[C@H](C)[N@H+](C)Cc2ccccc2O)c1 ZINC001256167247 806842301 /nfs/dbraw/zinc/84/23/01/806842301.db2.gz KHQZVQWOSCDUFH-AWEZNQCLSA-N 1 0 285.387 3.464 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H](c2ccccn2)C2CC2)c1O ZINC000922586384 800619571 /nfs/dbraw/zinc/61/95/71/800619571.db2.gz LPJPOKLFCMFCDL-QGZVFWFLSA-N 1 0 298.386 3.427 20 10 CGCDRO COc1ccc(N(CCC[NH3+])C(C)C)c2ccccc12 ZINC001164126745 806897598 /nfs/dbraw/zinc/89/75/98/806897598.db2.gz IEPYDGKMRXANDS-UHFFFAOYSA-N 1 0 272.392 3.412 20 10 CGCDRO C[C@H](C[N@@H+]1CCCc2cc(O)c(O)cc2C1)C(F)(F)F ZINC001208892062 813883541 /nfs/dbraw/zinc/88/35/41/813883541.db2.gz NHYDJVOCIODBKJ-SECBINFHSA-N 1 0 289.297 3.044 20 10 CGCDRO [O-]c1cccc(F)c1C[N@@H+]1CCOC[C@@H]1C1CCCCC1 ZINC001137841693 803779995 /nfs/dbraw/zinc/77/99/95/803779995.db2.gz QGGFIRMSKHITHO-MRXNPFEDSA-N 1 0 293.382 3.312 20 10 CGCDRO [O-]c1cccc(F)c1C[N@@H+]1CCOC[C@H]1C1CCCCC1 ZINC001137841692 803781473 /nfs/dbraw/zinc/78/14/73/803781473.db2.gz QGGFIRMSKHITHO-INIZCTEOSA-N 1 0 293.382 3.312 20 10 CGCDRO Cc1cc(CN(C)[C@H]2CC[N@H+](C)C2)c(C)n1-c1ccccc1 ZINC001137857993 803785391 /nfs/dbraw/zinc/78/53/91/803785391.db2.gz RTNXXHQSSZADAA-IBGZPJMESA-N 1 0 297.446 3.230 20 10 CGCDRO CC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC001138222267 803874420 /nfs/dbraw/zinc/87/44/20/803874420.db2.gz OSRPNJDFIXFPHW-SFHVURJKSA-N 1 0 286.419 3.230 20 10 CGCDRO Cc1c(CN2CC[C@@H]([NH+]3CCCC3)C2)c2ccccc2n1C ZINC001138257057 803881200 /nfs/dbraw/zinc/88/12/00/803881200.db2.gz UKOZXSWFFWEEEZ-MRXNPFEDSA-N 1 0 297.446 3.157 20 10 CGCDRO Cc1c(C[N@@H+]2CCCOC(C)(C)C2)c2ccccc2n1C ZINC001138256991 803881322 /nfs/dbraw/zinc/88/13/22/803881322.db2.gz RIQSKMOIUSNXPE-UHFFFAOYSA-N 1 0 286.419 3.488 20 10 CGCDRO Cc1cc(C[N@H+]2CC[C@@H](C)[C@@](C)(O)CC2)ccc1N(C)C ZINC001139669790 804247178 /nfs/dbraw/zinc/24/71/78/804247178.db2.gz OAEDJQNGRGPVRW-QAPCUYQASA-N 1 0 290.451 3.044 20 10 CGCDRO Cc1cc(C[NH+]2CCC(C)(F)CC2)ccc1N(C)C ZINC001139669710 804248235 /nfs/dbraw/zinc/24/82/35/804248235.db2.gz IQJJMMHDFLOMJD-UHFFFAOYSA-N 1 0 264.388 3.385 20 10 CGCDRO Oc1cccc2c1C[N@H+](Cc1cc3ccccc3cn1)CC2 ZINC001140001249 804350839 /nfs/dbraw/zinc/35/08/39/804350839.db2.gz IYRMAHNKUMHJNL-UHFFFAOYSA-N 1 0 290.366 3.499 20 10 CGCDRO C[C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)C[C@H]1C ZINC001140057829 804365719 /nfs/dbraw/zinc/36/57/19/804365719.db2.gz PHRHVNPJQHWNEN-VXGBXAGGSA-N 1 0 251.345 3.399 20 10 CGCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@@H]3CCCO[C@@H]3C2)c1O ZINC001140179490 804395965 /nfs/dbraw/zinc/39/59/65/804395965.db2.gz FGRRCYCLRSHMQF-GOEBONIOSA-N 1 0 275.392 3.010 20 10 CGCDRO Cc1ccc(C)c(C[N@@H+]2CCn3cccc3[C@@H]2C)c1O ZINC001140183763 804396236 /nfs/dbraw/zinc/39/62/36/804396236.db2.gz IPFHGDCJVGCOPC-AWEZNQCLSA-N 1 0 270.376 3.387 20 10 CGCDRO CCOC1CC[NH+](Cc2c(C)ccc(C)c2O)CC1 ZINC001140179351 804397001 /nfs/dbraw/zinc/39/70/01/804397001.db2.gz IZHFWGDPZHBITK-UHFFFAOYSA-N 1 0 263.381 3.010 20 10 CGCDRO COC[C@@]12CCC[C@@H]1C[N@H+](Cc1c(O)cccc1Cl)C2 ZINC001140339909 804419434 /nfs/dbraw/zinc/41/94/34/804419434.db2.gz OXWJPQWHTBXAIU-WBMJQRKESA-N 1 0 295.810 3.294 20 10 CGCDRO COCC[C@H]1CCCC[N@@H+]1Cc1c(O)cccc1Cl ZINC001140344731 804419777 /nfs/dbraw/zinc/41/97/77/804419777.db2.gz KWESVPBSISAMRE-GFCCVEGCSA-N 1 0 283.799 3.437 20 10 CGCDRO Oc1cccc(Cl)c1C[NH+]1CCC(n2cccn2)CC1 ZINC001140342101 804419955 /nfs/dbraw/zinc/41/99/55/804419955.db2.gz UZFHJVGMCDTCCM-UHFFFAOYSA-N 1 0 291.782 3.079 20 10 CGCDRO CCOC1CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001140466209 804442906 /nfs/dbraw/zinc/44/29/06/804442906.db2.gz BFGPGGXYBWKRAD-UHFFFAOYSA-N 1 0 269.772 3.047 20 10 CGCDRO Cc1cc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)ccc1O ZINC001140576066 804464698 /nfs/dbraw/zinc/46/46/98/804464698.db2.gz JHPILPGUXZPCSH-UHFFFAOYSA-N 1 0 299.370 3.060 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCCC[C@@](C)(F)C2)c1 ZINC001140619451 804476765 /nfs/dbraw/zinc/47/67/65/804476765.db2.gz DDTKNMQIGYINOJ-OAHLLOKOSA-N 1 0 251.345 3.415 20 10 CGCDRO CCO[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2Cl)C1 ZINC001140923431 804550411 /nfs/dbraw/zinc/55/04/11/804550411.db2.gz AFMXNQRTZZPQLI-OAHLLOKOSA-N 1 0 296.842 3.407 20 10 CGCDRO CN1CCOc2cc(C[NH+]3CCC4(CCC4)CC3)ccc21 ZINC001141140851 804596324 /nfs/dbraw/zinc/59/63/24/804596324.db2.gz PUJHHBGROSXFBO-UHFFFAOYSA-N 1 0 286.419 3.281 20 10 CGCDRO Oc1ccc(O)c(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)c1 ZINC001141160017 804599739 /nfs/dbraw/zinc/59/97/39/804599739.db2.gz PHXUPJFHEWWNJK-WFASDCNBSA-N 1 0 261.365 3.252 20 10 CGCDRO C[N@H+](CCCc1ccccc1)Cc1cc(O)ccc1O ZINC001141158893 804600598 /nfs/dbraw/zinc/60/05/98/804600598.db2.gz QMSZVHCDXIHEPN-UHFFFAOYSA-N 1 0 271.360 3.162 20 10 CGCDRO Oc1ccc(O)c(C[N@H+]2CC=C(c3ccccc3)CC2)c1 ZINC001141161506 804601314 /nfs/dbraw/zinc/60/13/14/804601314.db2.gz SKMBOEOVUWDTFM-UHFFFAOYSA-N 1 0 281.355 3.387 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2cccc(C(C)(C)C)c2O)CC[C@@H]1O ZINC001143103390 804800962 /nfs/dbraw/zinc/80/09/62/804800962.db2.gz BSQRAHGWGDFDSR-CJNGLKHVSA-N 1 0 291.435 3.283 20 10 CGCDRO CC(C)(C)c1cccc(C[N@H+]2CCC[C@H]2C(C)(C)O)c1O ZINC001143111668 804802785 /nfs/dbraw/zinc/80/27/85/804802785.db2.gz DYLIAXWBXVMCPU-HNNXBMFYSA-N 1 0 291.435 3.425 20 10 CGCDRO CC(C)(C)c1cccc(C[N@@H+]2CC[C@@]23CCOC3)c1O ZINC001143117049 804804998 /nfs/dbraw/zinc/80/49/98/804804998.db2.gz QRUUKKXQJMJBII-KRWDZBQOSA-N 1 0 275.392 3.055 20 10 CGCDRO CC[C@@H](c1ccccc1)[N@H+](C)Cc1c(O)cc(O)cc1O ZINC001144514549 804997513 /nfs/dbraw/zinc/99/75/13/804997513.db2.gz KHFCMPYMWSEJPJ-HNNXBMFYSA-N 1 0 287.359 3.387 20 10 CGCDRO CC(C)(C)c1cc(O)c(C[NH+]2CCC(O)CC2)cc1Cl ZINC001248881140 805031205 /nfs/dbraw/zinc/03/12/05/805031205.db2.gz RGOJCGKRMSJPIL-UHFFFAOYSA-N 1 0 297.826 3.300 20 10 CGCDRO CC[C@H](C)c1nn(C)cc1C[N@H+](C)Cc1ccccc1O ZINC001249408425 805142286 /nfs/dbraw/zinc/14/22/86/805142286.db2.gz DHTHFRAKUUILMF-ZDUSSCGKSA-N 1 0 287.407 3.271 20 10 CGCDRO c1ccn(-c2ccc(-c3nnc(C[NH+]4CCCC4)o3)cc2)c1 ZINC001256936129 807013101 /nfs/dbraw/zinc/01/31/01/807013101.db2.gz ZSLFHNBNFUXATM-UHFFFAOYSA-N 1 0 294.358 3.123 20 10 CGCDRO C[C@H](Cc1ccco1)[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC001258200746 807361380 /nfs/dbraw/zinc/36/13/80/807361380.db2.gz WLZFJVHVYWEQCP-CQSZACIVSA-N 1 0 272.392 3.409 20 10 CGCDRO COc1ccc(N2CC[NH+]([C@@H](C)CC3CC3)CC2)cc1 ZINC001258458146 807463240 /nfs/dbraw/zinc/46/32/40/807463240.db2.gz QMISYNWDTKHEIA-AWEZNQCLSA-N 1 0 274.408 3.006 20 10 CGCDRO C[C@H](CC1CC1)[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001258469771 807468319 /nfs/dbraw/zinc/46/83/19/807468319.db2.gz BVWLRKWJJOSXMC-LLVKDONJSA-N 1 0 261.365 3.035 20 10 CGCDRO [NH3+]CCN(c1cccnc1)c1cccc(-c2cccnc2)c1 ZINC001168835660 807522899 /nfs/dbraw/zinc/52/28/99/807522899.db2.gz AMYJARONSOJLHZ-UHFFFAOYSA-N 1 0 290.370 3.240 20 10 CGCDRO C[C@H]1C[C@@H]([NH2+]CCc2ccc(O)c(O)c2)CC(C)(C)C1 ZINC001258687802 807544963 /nfs/dbraw/zinc/54/49/63/807544963.db2.gz UZQWFGAQMAMIJY-GXTWGEPZSA-N 1 0 277.408 3.445 20 10 CGCDRO CC(C)CCC[C@H](C)[NH2+]CCc1cc(O)c(O)cc1O ZINC001170061576 807744396 /nfs/dbraw/zinc/74/43/96/807744396.db2.gz VBHZNVCNMQUJKM-LBPRGKRZSA-N 1 0 281.396 3.150 20 10 CGCDRO CC(C)CCC[C@H](C)[NH2+]CCc1ccc(O)c(O)c1 ZINC001170061696 807744933 /nfs/dbraw/zinc/74/49/33/807744933.db2.gz ZTMOUUBFKMJDPD-ZDUSSCGKSA-N 1 0 265.397 3.445 20 10 CGCDRO C[C@H]1CC[C@@H]([NH2+]C2CCN(Cc3ccccc3O)CC2)C1 ZINC001170113557 807761639 /nfs/dbraw/zinc/76/16/39/807761639.db2.gz RFMZIGVCAQWPRO-WMLDXEAASA-N 1 0 288.435 3.135 20 10 CGCDRO COc1ccc(N2CC[NH+]([C@@H]3CC[C@H](C)C3)CC2)c(C)c1 ZINC001170157332 807780034 /nfs/dbraw/zinc/78/00/34/807780034.db2.gz KICYJDQGZTYILC-GOEBONIOSA-N 1 0 288.435 3.314 20 10 CGCDRO C[C@H]([NH2+]Cc1cccn1C1CC1)c1ccccc1O ZINC001262012282 807806594 /nfs/dbraw/zinc/80/65/94/807806594.db2.gz QGZZSBZCOCDTJY-LBPRGKRZSA-N 1 0 256.349 3.379 20 10 CGCDRO CC[C@H](C)OCC[C@H](C)[N@H+](C)Cc1ccccc1O ZINC001172352761 808249980 /nfs/dbraw/zinc/24/99/80/808249980.db2.gz JEROFASBMYNGSV-KBPBESRZSA-N 1 0 265.397 3.418 20 10 CGCDRO Oc1cccc(NC2=CCC[N@H+](Cc3ccccc3)C2)c1O ZINC001174396596 808994642 /nfs/dbraw/zinc/99/46/42/808994642.db2.gz IZZAREGULOPDOO-UHFFFAOYSA-N 1 0 296.370 3.300 20 10 CGCDRO CCN(CC[NH2+]Cc1c(C)c2ccccc2n1C)C(C)C ZINC001177612142 809811770 /nfs/dbraw/zinc/81/17/70/809811770.db2.gz OYKYORATRAJLAZ-UHFFFAOYSA-N 1 0 287.451 3.307 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@H](C)[C@H](C)OC)cc1C ZINC001178831040 809890935 /nfs/dbraw/zinc/89/09/35/809890935.db2.gz FSMNKEUVKGJCFW-KGLIPLIRSA-N 1 0 265.397 3.297 20 10 CGCDRO CCC[N@H+](CC)C[C@H](C)NCc1ccc2c(c1)CCCO2 ZINC001178855498 809891668 /nfs/dbraw/zinc/89/16/68/809891668.db2.gz KEGUZDQWJDFFQF-HNNXBMFYSA-N 1 0 290.451 3.222 20 10 CGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@H](C3CC3)C2)cc1 ZINC001180082804 809972055 /nfs/dbraw/zinc/97/20/55/809972055.db2.gz TVEXINRVLRZPLE-LIMHQNJXSA-N 1 0 270.420 3.498 20 10 CGCDRO COc1cc(C)c(C[N@H+](C)Cc2scnc2C)c(O)c1 ZINC001180213077 809984590 /nfs/dbraw/zinc/98/45/90/809984590.db2.gz OJGCPMMNRWFBLU-UHFFFAOYSA-N 1 0 292.404 3.106 20 10 CGCDRO Cc1nccn1CCC[NH2+]Cc1cc(C(C)C)ccc1O ZINC001181185827 810041835 /nfs/dbraw/zinc/04/18/35/810041835.db2.gz ZALJNXONUQMXKB-UHFFFAOYSA-N 1 0 287.407 3.200 20 10 CGCDRO CN(C)c1cc(F)c(C[N@@H+]2CCC3(CCC3)C2)cc1F ZINC001181322661 810047268 /nfs/dbraw/zinc/04/72/68/810047268.db2.gz GQGZALVERIIUAP-UHFFFAOYSA-N 1 0 280.362 3.407 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H](C(C)C)[C@H](CO)C(C)C)c1O ZINC001181891530 810081322 /nfs/dbraw/zinc/08/13/22/810081322.db2.gz AXFIRPZQHKGZLL-SJORKVTESA-N 1 0 293.451 3.333 20 10 CGCDRO Cc1nc2ccccc2nc1CN1Cc2cccc(O)c2C1 ZINC001183454560 810148909 /nfs/dbraw/zinc/14/89/09/810148909.db2.gz LWSFWYHKAKNINZ-UHFFFAOYSA-N 1 0 291.354 3.160 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+]Cc2ccc3nonc3c2)c1 ZINC001184205921 810182231 /nfs/dbraw/zinc/18/22/31/810182231.db2.gz FZQPQIIFWSMMRY-UHFFFAOYSA-N 1 0 297.358 3.342 20 10 CGCDRO CCC(O)(CC)C(C)(C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001197157292 811403555 /nfs/dbraw/zinc/40/35/55/811403555.db2.gz RXMOHPFWCDIJOP-UHFFFAOYSA-N 1 0 279.424 3.423 20 10 CGCDRO c1cc2c(cc1C[NH2+]CC1(C3CC3)CC1)CCCO2 ZINC001201586646 811914312 /nfs/dbraw/zinc/91/43/12/811914312.db2.gz DXRIUMUBNRLRNX-UHFFFAOYSA-N 1 0 257.377 3.291 20 10 CGCDRO CCOCc1cc(C[NH2+][C@@H](CC)CSC)ccc1OC ZINC001201769303 811962986 /nfs/dbraw/zinc/96/29/86/811962986.db2.gz FBGUNZWWHJBEAR-HNNXBMFYSA-N 1 0 297.464 3.463 20 10 CGCDRO Oc1ccccc1C[NH+]1CCC2(CC(F)(F)C2)CC1 ZINC001203550501 812390279 /nfs/dbraw/zinc/39/02/79/812390279.db2.gz WIWYBHDMHNSMOG-UHFFFAOYSA-N 1 0 267.319 3.404 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCCC[C@@H](F)C1 ZINC001203651521 812415952 /nfs/dbraw/zinc/41/59/52/812415952.db2.gz QNXFOGBNEOLPGM-GFCCVEGCSA-N 1 0 257.736 3.370 20 10 CGCDRO COCC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC001203657357 812419447 /nfs/dbraw/zinc/41/94/47/812419447.db2.gz JNKORUUJIWXECV-CQSZACIVSA-N 1 0 283.799 3.437 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H]2Cc2ccccn2)c1 ZINC001203677914 812427173 /nfs/dbraw/zinc/42/71/73/812427173.db2.gz AFXIVGCPADRDAX-MRXNPFEDSA-N 1 0 298.386 3.003 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](O)[C@H](C)C2)cc1 ZINC001203940298 812497638 /nfs/dbraw/zinc/49/76/38/812497638.db2.gz LONIGDWMYMURPZ-CRAIPNDOSA-N 1 0 290.451 3.126 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](O)[C@@H](C)C2)cc1 ZINC001203940302 812497655 /nfs/dbraw/zinc/49/76/55/812497655.db2.gz LONIGDWMYMURPZ-YJBOKZPZSA-N 1 0 290.451 3.126 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H](F)C[C@H]2C)cc1 ZINC001203936868 812497800 /nfs/dbraw/zinc/49/78/00/812497800.db2.gz QAJJVCLRYRFKGW-UKRRQHHQSA-N 1 0 264.388 3.465 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC3(COC3)C2)c2ccccc21 ZINC001204236951 812582159 /nfs/dbraw/zinc/58/21/59/812582159.db2.gz YNSYKPCHHIPYMO-UHFFFAOYSA-N 1 0 296.414 3.128 20 10 CGCDRO C[N@H+](Cc1ccc(O)cc1O)Cc1cccc(F)c1F ZINC001204277496 812593417 /nfs/dbraw/zinc/59/34/17/812593417.db2.gz FGGYUCMPYKYNJE-UHFFFAOYSA-N 1 0 279.286 3.008 20 10 CGCDRO c1cc(N2CCCC2)ccc1C[N@@H+]1CC[C@@]2(CCCO2)C1 ZINC001204324964 812612504 /nfs/dbraw/zinc/61/25/04/812612504.db2.gz PTCCLTUTSYMFNX-SFHVURJKSA-N 1 0 286.419 3.042 20 10 CGCDRO COC[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001204325633 812614131 /nfs/dbraw/zinc/61/41/31/812614131.db2.gz RVOZAJVZIHYSGE-GOSISDBHSA-N 1 0 288.435 3.288 20 10 CGCDRO COCC[N@H+](Cc1ccc(N2CCCC2)cc1)C(C)C ZINC001204326960 812614883 /nfs/dbraw/zinc/61/48/83/812614883.db2.gz JWGXERRVLUKGDZ-UHFFFAOYSA-N 1 0 276.424 3.144 20 10 CGCDRO COc1cc(CN2Cc3ccccc3C[C@H]2C)cc(O)c1O ZINC001204345102 812616701 /nfs/dbraw/zinc/61/67/01/812616701.db2.gz HOMWTTYDIRAWOD-GFCCVEGCSA-N 1 0 299.370 3.053 20 10 CGCDRO Cc1cc(CN2CCC[C@H]([NH3+])C2)c(C)n1-c1ccccc1 ZINC001204877261 812761076 /nfs/dbraw/zinc/76/10/76/812761076.db2.gz FYDZGKNIHJEEKS-KRWDZBQOSA-N 1 0 283.419 3.017 20 10 CGCDRO CC(C)c1ccc(O)c(C[N@H+]2CCC[C@H]([C@@H](C)O)C2)c1 ZINC001205341017 812962901 /nfs/dbraw/zinc/96/29/01/812962901.db2.gz RIEXXEDTXHQLDX-HIFRSBDPSA-N 1 0 277.408 3.108 20 10 CGCDRO COCC1(C)CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001205385917 812976348 /nfs/dbraw/zinc/97/63/48/812976348.db2.gz VBZDUFMLWRPVBD-UHFFFAOYSA-N 1 0 283.799 3.294 20 10 CGCDRO COc1cc(C)c(C[NH2+]C[C@H]2CC[C@H](C)C2)c(O)c1 ZINC001205634429 813036178 /nfs/dbraw/zinc/03/61/78/813036178.db2.gz SODRDCKGPZMFRD-AAEUAGOBSA-N 1 0 263.381 3.235 20 10 CGCDRO COc1cc(C)c(C[NH2+]C[C@@H]2CC[C@H](C)C2)c(O)c1 ZINC001205634431 813036972 /nfs/dbraw/zinc/03/69/72/813036972.db2.gz SODRDCKGPZMFRD-WCQYABFASA-N 1 0 263.381 3.235 20 10 CGCDRO C[C@@H]1CC[C@H](CN)[N@H+](Cc2cc3ccccc3cc2O)C1 ZINC001205843073 813104578 /nfs/dbraw/zinc/10/45/78/813104578.db2.gz RDBRUNJARHXALO-CXAGYDPISA-N 1 0 284.403 3.105 20 10 CGCDRO CC[C@@](C)(C[NH2+]Cc1cc(C(C)C)ccc1O)OC ZINC001205908049 813128252 /nfs/dbraw/zinc/12/82/52/813128252.db2.gz OCWOSWHCNQAKLK-INIZCTEOSA-N 1 0 265.397 3.420 20 10 CGCDRO CC(C)(C)c1ccc(CN2CCCC[C@@H]([NH3+])C2)c(O)c1 ZINC001205938364 813140734 /nfs/dbraw/zinc/14/07/34/813140734.db2.gz GVQHEBMHFYJDHN-OAHLLOKOSA-N 1 0 276.424 3.003 20 10 CGCDRO CCOC1(C[NH2+]Cc2ccc(Cl)cc2O)CCCC1 ZINC001205980553 813150199 /nfs/dbraw/zinc/15/01/99/813150199.db2.gz ORZCXPQJUBUCBF-UHFFFAOYSA-N 1 0 283.799 3.485 20 10 CGCDRO Cc1ccc(C[N@@H+]2Cc3ccccc3O[C@@H](C)C2)c(O)c1 ZINC001206062906 813187038 /nfs/dbraw/zinc/18/70/38/813187038.db2.gz GCBDZFHEBTXWMP-AWEZNQCLSA-N 1 0 283.371 3.484 20 10 CGCDRO COc1ccc(N(C)CC[N@H+](C)CC2(C(C)C)CC2)cc1 ZINC001206545154 813346353 /nfs/dbraw/zinc/34/63/53/813346353.db2.gz RZPLWUOAPVZVAV-UHFFFAOYSA-N 1 0 290.451 3.499 20 10 CGCDRO CCc1nccc(C[N@H+](CC)Cc2ccc(N(C)C)cc2)n1 ZINC001207090584 813484189 /nfs/dbraw/zinc/48/41/89/813484189.db2.gz YZICGEZHDMXTJK-UHFFFAOYSA-N 1 0 298.434 3.127 20 10 CGCDRO Cc1cncc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)c1 ZINC001207162402 813501309 /nfs/dbraw/zinc/50/13/09/813501309.db2.gz INZRATDWAQMTJQ-UHFFFAOYSA-N 1 0 269.392 3.088 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)C[C@@H]2CCOC(C)(C)C2)cc1 ZINC001207367798 813553509 /nfs/dbraw/zinc/55/35/09/813553509.db2.gz VWAWURHMPUQGKZ-MRXNPFEDSA-N 1 0 290.451 3.390 20 10 CGCDRO Oc1cccc2c1C[N@H+](CCc1cccs1)CC2 ZINC001209226228 813974165 /nfs/dbraw/zinc/97/41/65/813974165.db2.gz OYHMPHOOQZOFSN-UHFFFAOYSA-N 1 0 259.374 3.055 20 10 CGCDRO CC[N@H+](Cc1ccc(-n2c(C)ccc2C)cc1)C1COC1 ZINC001209517509 814071602 /nfs/dbraw/zinc/07/16/02/814071602.db2.gz DILSDNWNJIFUFR-UHFFFAOYSA-N 1 0 284.403 3.315 20 10 CGCDRO Cc1cc(C)c(CN2CC[NH2+]C[C@H]2c2ccccc2)c(O)c1 ZINC001210225977 814352929 /nfs/dbraw/zinc/35/29/29/814352929.db2.gz AHDCYNWDHCMFEC-SFHVURJKSA-N 1 0 296.414 3.156 20 10 CGCDRO Oc1cccc(NC2=CC[C@H]([NH+]3CCCC3)CC2)c1O ZINC001210712766 814593870 /nfs/dbraw/zinc/59/38/70/814593870.db2.gz BKYFXZWDJKTHIL-ZDUSSCGKSA-N 1 0 274.364 3.042 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2c(O)ccc3ccccc32)CCCC1=O ZINC001231587539 818128938 /nfs/dbraw/zinc/12/89/38/818128938.db2.gz FCNIYPWEFASTFS-CYBMUJFWSA-N 1 0 283.371 3.346 20 10 CGCDRO Oc1ccc2ccccc2c1C[N@@H+]1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001231587005 818129671 /nfs/dbraw/zinc/12/96/71/818129671.db2.gz PESHWAKZWQHYRS-DUVNUKRYSA-N 1 0 271.335 3.335 20 10 CGCDRO Cc1cccc(CN(C)Cc2cnc(Cl)s2)c1O ZINC001231591037 818132104 /nfs/dbraw/zinc/13/21/04/818132104.db2.gz QTPNKPAEXOHQRA-UHFFFAOYSA-N 1 0 282.796 3.443 20 10 CGCDRO COc1cc(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)c(O)cc1O ZINC001231636326 818144001 /nfs/dbraw/zinc/14/40/01/818144001.db2.gz SOHCQAOGQYJIEA-JSGCOSHPSA-N 1 0 291.391 3.261 20 10 CGCDRO Cc1cc(C)c(C[N@@H+]2CC[C@@H]3CCCO[C@H]3C2)c(O)c1 ZINC001231844513 818187535 /nfs/dbraw/zinc/18/75/35/818187535.db2.gz LRVPXHJHKBJIRF-YOEHRIQHSA-N 1 0 275.392 3.010 20 10 CGCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H](C)[C@@H]1C ZINC001231853882 818188929 /nfs/dbraw/zinc/18/89/29/818188929.db2.gz SXSOTUVFXTTYCV-KGLIPLIRSA-N 1 0 276.424 3.382 20 10 CGCDRO COc1cc(N(C)C)ccc1C[N@H+](CC1CC1)C(C)C ZINC001231853307 818189101 /nfs/dbraw/zinc/18/91/01/818189101.db2.gz IFNPEDMHNSKCNI-UHFFFAOYSA-N 1 0 276.424 3.382 20 10 CGCDRO CC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc2ccccc2c1O ZINC001231881359 818199033 /nfs/dbraw/zinc/19/90/33/818199033.db2.gz VZGXWXVMQHUYGB-QGZVFWFLSA-N 1 0 283.371 3.489 20 10 CGCDRO CN1CC[N@H+](Cc2ccc3ccccc3c2O)CC1(C)C ZINC001231881375 818200028 /nfs/dbraw/zinc/20/00/28/818200028.db2.gz WCAHOIUXKPSBDV-UHFFFAOYSA-N 1 0 284.403 3.071 20 10 CGCDRO C[N@H+](Cc1cnc(-c2cccnc2)o1)Cc1ccccc1O ZINC001232132848 818262547 /nfs/dbraw/zinc/26/25/47/818262547.db2.gz BGYTWZPKNHMIPY-UHFFFAOYSA-N 1 0 295.342 3.074 20 10 CGCDRO C[C@@H]1CCC[N@H+](Cc2cc(Cl)c(O)cc2O)[C@@H]1C ZINC001232267536 818297661 /nfs/dbraw/zinc/29/76/61/818297661.db2.gz ISZOZXBIWWBROT-NXEZZACHSA-N 1 0 269.772 3.372 20 10 CGCDRO CC[C@@H](C)[N@H+](C)Cc1cc(Cl)c(OC)cc1O ZINC001232268978 818301098 /nfs/dbraw/zinc/30/10/98/818301098.db2.gz XSVIQDJESCALES-SECBINFHSA-N 1 0 257.761 3.285 20 10 CGCDRO Oc1cccc2c1C[N@H+](Cc1ccc3ncoc3c1)CC2 ZINC001232945330 818480679 /nfs/dbraw/zinc/48/06/79/818480679.db2.gz PGHBEVIBDAZQOT-UHFFFAOYSA-N 1 0 280.327 3.092 20 10 CGCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CCC[C@H](CCO)C2)c1 ZINC001233286504 818567637 /nfs/dbraw/zinc/56/76/37/818567637.db2.gz WSVYLOHKGGUHHL-CQSZACIVSA-N 1 0 291.435 3.284 20 10 CGCDRO Cc1ncc(C[N@@H+](C)Cc2cc(C(C)(C)C)ccc2O)cn1 ZINC001233286618 818567821 /nfs/dbraw/zinc/56/78/21/818567821.db2.gz BGHPGYITPJXIGQ-UHFFFAOYSA-N 1 0 299.418 3.420 20 10 CGCDRO C[N@H+](Cc1cncnc1)Cc1cc(C(C)(C)C)ccc1O ZINC001233287398 818570793 /nfs/dbraw/zinc/57/07/93/818570793.db2.gz ONCMZFOWOAYISR-UHFFFAOYSA-N 1 0 285.391 3.112 20 10 CGCDRO CC[C@H]1COCC[N@@H+]1Cc1ccc(C(F)(F)F)cc1O ZINC001233455182 818622919 /nfs/dbraw/zinc/62/29/19/818622919.db2.gz ZXNQJLFSXXSHAO-LBPRGKRZSA-N 1 0 289.297 3.022 20 10 CGCDRO Oc1cc(O)c(C[N@H+](Cc2ccccc2)C2CCC2)cc1O ZINC001233487015 818625145 /nfs/dbraw/zinc/62/51/45/818625145.db2.gz LSSVWEQVDZFGJU-UHFFFAOYSA-N 1 0 299.370 3.358 20 10 CGCDRO COC(=O)[C@@H](C)N(C)Cc1cccc(-c2ccccc2)c1O ZINC001234996438 818972379 /nfs/dbraw/zinc/97/23/79/818972379.db2.gz HNPKXFCEXMDUAQ-CYBMUJFWSA-N 1 0 299.370 3.053 20 10 CGCDRO Oc1c(C[N@H+](C2CC2)C2COC2)cccc1-c1ccccc1 ZINC001234996369 818972399 /nfs/dbraw/zinc/97/23/99/818972399.db2.gz GNMATYHIZUDZJY-UHFFFAOYSA-N 1 0 295.382 3.422 20 10 CGCDRO CC(C)(C)c1ccc(C[N@@H+]2CC[C@H](F)C2)c(O)c1 ZINC001235674877 819134904 /nfs/dbraw/zinc/13/49/04/819134904.db2.gz HOQQUIGMIMYESX-ZDUSSCGKSA-N 1 0 251.345 3.234 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2ccc(C(C)(C)C)cc2O)CCC1=O ZINC001235673817 819135533 /nfs/dbraw/zinc/13/55/33/819135533.db2.gz ADUDNIAMLUTOPU-CYBMUJFWSA-N 1 0 289.419 3.491 20 10 CGCDRO CC(C)(C)c1ccc(C[NH+]2CCC3(CCO3)CC2)c(O)c1 ZINC001235681053 819140128 /nfs/dbraw/zinc/14/01/28/819140128.db2.gz XCRXGFFWMLYZHT-UHFFFAOYSA-N 1 0 289.419 3.445 20 10 CGCDRO CC(C)(C)c1cc(O)c(CN2CCC[C@H]2C[NH3+])cc1Cl ZINC001235723903 819151722 /nfs/dbraw/zinc/15/17/22/819151722.db2.gz DKVKUUQXNJFKPQ-LBPRGKRZSA-N 1 0 296.842 3.266 20 10 CGCDRO C[NH2+]C1CCN(Cc2ccc(-n3c(C)ccc3C)cc2)CC1 ZINC001235788636 819168195 /nfs/dbraw/zinc/16/81/95/819168195.db2.gz KHVHHVAPCKASIP-UHFFFAOYSA-N 1 0 297.446 3.278 20 10 CGCDRO Cc1ccc(C)c(C[N@@H+]2CCN[C@@H](c3ccccc3)C2)c1O ZINC001235856236 819186138 /nfs/dbraw/zinc/18/61/38/819186138.db2.gz WTKSRNCZODRANX-GOSISDBHSA-N 1 0 296.414 3.156 20 10 CGCDRO CCc1ccc(C[N@@H+]2CCN[C@@H](c3ccccc3)C2)c(O)c1 ZINC001235858650 819188440 /nfs/dbraw/zinc/18/84/40/819188440.db2.gz YTUXEHUOOSILEK-GOSISDBHSA-N 1 0 296.414 3.101 20 10 CGCDRO CCN(Cc1ccc2ccccc2c1O)[C@@H]1CCC[NH2+]C1 ZINC001236005286 819270825 /nfs/dbraw/zinc/27/08/25/819270825.db2.gz CCJQSHKODSGNKG-MRXNPFEDSA-N 1 0 284.403 3.119 20 10 CGCDRO CCN(Cc1ccc(C(C)C)cc1O)[C@H]1CCC[NH2+]C1 ZINC001236009094 819274058 /nfs/dbraw/zinc/27/40/58/819274058.db2.gz LBVQAJWHWIWWGM-INIZCTEOSA-N 1 0 276.424 3.090 20 10 CGCDRO Cc1cc(CN2C[C@H](C)C[C@@H]([NH3+])C2)c(C)n1-c1ccccc1 ZINC001236047524 819285510 /nfs/dbraw/zinc/28/55/10/819285510.db2.gz MBHHZIPVBRPWKG-RDTXWAMCSA-N 1 0 297.446 3.263 20 10 CGCDRO Cc1cc(Cl)cc(CN(C)[C@H]2CCCC[C@@H]2[NH3+])c1O ZINC001236212888 819373824 /nfs/dbraw/zinc/37/38/24/819373824.db2.gz AIDAMCXWINRQBP-KBPBESRZSA-N 1 0 282.815 3.056 20 10 CGCDRO CCCN(Cc1c2ccccc2n(C)c1C)[C@H]1CC[NH2+]C1 ZINC001236324594 819426606 /nfs/dbraw/zinc/42/66/06/819426606.db2.gz XZMXPBQJJLURCP-HNNXBMFYSA-N 1 0 285.435 3.061 20 10 CGCDRO CCC[N@H+](C)Cc1cc(OC)c(Br)cc1O ZINC001236744831 819590396 /nfs/dbraw/zinc/59/03/96/819590396.db2.gz HFYLHKSLRKCHLE-UHFFFAOYSA-N 1 0 288.185 3.005 20 10 CGCDRO CCc1ccc(C[N@H+](C)C[C@H]2Cc3ccccc3O2)c(O)c1 ZINC001236786699 819594904 /nfs/dbraw/zinc/59/49/04/819594904.db2.gz DSKRWAZWTYLAQC-QGZVFWFLSA-N 1 0 297.398 3.390 20 10 CGCDRO CCCOC1CC[NH+](Cc2c(C)cc(OC)cc2O)CC1 ZINC001236813422 819604051 /nfs/dbraw/zinc/60/40/51/819604051.db2.gz KIBLLPRWZJQCQQ-UHFFFAOYSA-N 1 0 293.407 3.100 20 10 CGCDRO COC[C@H]1CCC[N@@H+]1Cc1cc2ccccc2cc1O ZINC001236827172 819610001 /nfs/dbraw/zinc/61/00/01/819610001.db2.gz QOFGKDLCILMVLW-MRXNPFEDSA-N 1 0 271.360 3.156 20 10 CGCDRO Oc1cc2ccccc2cc1C[N@@H+]1CCC[C@@]12CCOC2 ZINC001236832799 819611049 /nfs/dbraw/zinc/61/10/49/819611049.db2.gz LMBPCIAYGUVUCT-SFHVURJKSA-N 1 0 283.371 3.300 20 10 CGCDRO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc2ccccc2cc1O ZINC001236830161 819611305 /nfs/dbraw/zinc/61/13/05/819611305.db2.gz MSEHSNOIEHSVII-IYBDPMFKSA-N 1 0 281.355 3.241 20 10 CGCDRO CCCN1CC[NH+](Cc2cc3ccccc3cc2O)CC1 ZINC001236831125 819611891 /nfs/dbraw/zinc/61/18/91/819611891.db2.gz FHDAWZHSXNZWOH-UHFFFAOYSA-N 1 0 284.403 3.073 20 10 CGCDRO CN(C1CC1)[C@H]1CC[N@H+](Cc2cc3ccccc3cc2O)C1 ZINC001236837128 819616567 /nfs/dbraw/zinc/61/65/67/819616567.db2.gz OWKGRMHAOLQQAL-SFHVURJKSA-N 1 0 296.414 3.214 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2CCC[C@@](F)(CO)CC2)c(O)c1 ZINC001237046704 819651102 /nfs/dbraw/zinc/65/11/02/819651102.db2.gz VUPLUVOKFRGNIT-KRWDZBQOSA-N 1 0 295.398 3.202 20 10 CGCDRO CC[NH+](CC)[C@H]1CCN(Cc2ccc(C(C)C)cc2O)C1 ZINC001237048133 819651604 /nfs/dbraw/zinc/65/16/04/819651604.db2.gz DIQQPIHEKSTONS-KRWDZBQOSA-N 1 0 290.451 3.432 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2CCc3cccnc3C2)c(O)c1 ZINC001237055921 819655418 /nfs/dbraw/zinc/65/54/18/819655418.db2.gz SFGNYGISUNQALO-UHFFFAOYSA-N 1 0 282.387 3.469 20 10 CGCDRO Oc1ccc(C(F)(F)F)cc1C[NH+]1CC2(CCC2)C1 ZINC001237136761 819675158 /nfs/dbraw/zinc/67/51/58/819675158.db2.gz VPEMDNDRMSCRQV-UHFFFAOYSA-N 1 0 271.282 3.397 20 10 CGCDRO Cc1c(CN2CC[C@H]3[NH2+]CCC[C@@H]3C2)c2ccccc2n1C ZINC001237392626 819742385 /nfs/dbraw/zinc/74/23/85/819742385.db2.gz PDKMCJPCPZPZJQ-CRAIPNDOSA-N 1 0 297.446 3.061 20 10 CGCDRO Cc1cccc(O)c1C[N@H+]1CCN(C)[C@@H](c2ccccc2)C1 ZINC001237489094 819761908 /nfs/dbraw/zinc/76/19/08/819761908.db2.gz FGCBWBDDCLHVMR-GOSISDBHSA-N 1 0 296.414 3.189 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC001237492923 819764351 /nfs/dbraw/zinc/76/43/51/819764351.db2.gz UOJXBELENIHRNI-KRWDZBQOSA-N 1 0 297.398 3.144 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2CC[C@@H](C)C2)cc1Br ZINC001237677898 819804119 /nfs/dbraw/zinc/80/41/19/819804119.db2.gz RSNWVKKGAMFTFQ-SECBINFHSA-N 1 0 284.197 3.305 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@](C)(CO)CC2)c1O ZINC001237681805 819806957 /nfs/dbraw/zinc/80/69/57/819806957.db2.gz SVHQGPXSLVAWNC-INIZCTEOSA-N 1 0 297.826 3.339 20 10 CGCDRO COc1ccc(C)c(C[N@H+](C)Cc2ccccc2O)c1 ZINC001237711526 819814584 /nfs/dbraw/zinc/81/45/84/819814584.db2.gz RRGUATVMTIFVQG-UHFFFAOYSA-N 1 0 271.360 3.341 20 10 CGCDRO CCOC(=O)c1ccccc1C[N@H+](C)Cc1ccccc1O ZINC001237891105 819873446 /nfs/dbraw/zinc/87/34/46/819873446.db2.gz IIJNTAYUINBUMU-UHFFFAOYSA-N 1 0 299.370 3.201 20 10 CGCDRO COc1cccc(C[N@H+](C)Cc2cc(F)cc(C)c2O)c1 ZINC001238061570 819920039 /nfs/dbraw/zinc/92/00/39/819920039.db2.gz OTTITJZQCAPWAA-UHFFFAOYSA-N 1 0 289.350 3.480 20 10 CGCDRO CC[N@H+](Cc1ccccn1)Cc1cc(F)cc(C)c1O ZINC001238071513 819924467 /nfs/dbraw/zinc/92/44/67/819924467.db2.gz YSBQWVYLUZCUIB-UHFFFAOYSA-N 1 0 274.339 3.257 20 10 CGCDRO FC1(F)CC=C(c2ccc(N3CC[NH2+]CC3)cc2)CC1 ZINC001242234632 822920558 /nfs/dbraw/zinc/92/05/58/822920558.db2.gz XGNIMUZDRSETIJ-UHFFFAOYSA-N 1 0 278.346 3.299 20 10 CGCDRO C[C@@H](CC(=O)OC(C)(C)C)[NH2+]Cc1c(O)cccc1Cl ZINC001339017442 936344620 /nfs/dbraw/zinc/34/46/20/936344620.db2.gz MIDVYOIBOKTDTQ-JTQLQIEISA-N 1 0 299.798 3.256 20 10 CGCDRO CCO[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)c(C)cc2O)C1 ZINC001347394107 936882558 /nfs/dbraw/zinc/88/25/58/936882558.db2.gz HEIPOBUJWUIGTE-TXEJJXNPSA-N 1 0 269.772 3.011 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H]3[C@@H](C2)C3(F)F)c(Cl)c1 ZINC001474572436 937205853 /nfs/dbraw/zinc/20/58/53/937205853.db2.gz VKOBUVBZBOMGCK-WDEREUQCSA-N 1 0 287.737 3.441 20 10 CGCDRO Cc1cc(C[NH2+]C2CCOCC2)c(C)n1-c1ccccc1 ZINC000036319096 928632627 /nfs/dbraw/zinc/63/26/27/928632627.db2.gz FDOWMVIESJCANN-UHFFFAOYSA-N 1 0 284.403 3.363 20 10 CGCDRO CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000399505787 928807480 /nfs/dbraw/zinc/80/74/80/928807480.db2.gz LWXQZZWLNNMTAT-YGRLFVJLSA-N 1 0 279.355 3.354 20 10 CGCDRO Cc1ccc(C)c(C[N@H+](CCO)Cc2cccs2)c1O ZINC001140178912 931956730 /nfs/dbraw/zinc/95/67/30/931956730.db2.gz CBRLKKAIQOSMSV-UHFFFAOYSA-N 1 0 291.416 3.065 20 10 CGCDRO COC[C@H]1CCCC[N@@H+]1Cc1c(C)ccc(C)c1O ZINC001140178496 931956920 /nfs/dbraw/zinc/95/69/20/931956920.db2.gz MQSFXDRGSWFDSO-CQSZACIVSA-N 1 0 263.381 3.010 20 10 CGCDRO c1cc2c(cc1C[NH2+][C@@H]1CC[C@@H]3C[C@@H]3C1)CCCO2 ZINC001461623753 937588740 /nfs/dbraw/zinc/58/87/40/937588740.db2.gz PQIVYLXBBZNIQI-FVQBIDKESA-N 1 0 257.377 3.290 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cccc3c[nH]nc32)c1 ZINC001461601625 937587648 /nfs/dbraw/zinc/58/76/48/937587648.db2.gz DLZKYAYZEICANZ-NSHDSACASA-N 1 0 297.358 3.128 20 10 CGCDRO CC(C)(C)O[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC001461607223 937588053 /nfs/dbraw/zinc/58/80/53/937588053.db2.gz QZJWQIKWIPBYMR-WKILWMFISA-N 1 0 289.419 3.447 20 10 CGCDRO CC1CC[NH+](Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC001462016173 937612898 /nfs/dbraw/zinc/61/28/98/937612898.db2.gz FIKCKBUOBKVYRY-UHFFFAOYSA-N 1 0 268.351 3.263 20 10 CGCDRO [O-]c1cc(F)c(F)cc1C[NH2+]CCC[C@H]1CCCCO1 ZINC001462046399 937614645 /nfs/dbraw/zinc/61/46/45/937614645.db2.gz FHDTVFLJZZSFHV-GFCCVEGCSA-N 1 0 285.334 3.109 20 10 CGCDRO CCC1(CC)C[NH+](Cc2cc(C)cc(OC)c2O)C1 ZINC001462318248 937631941 /nfs/dbraw/zinc/63/19/41/937631941.db2.gz XTVZBNKQXMEZQP-UHFFFAOYSA-N 1 0 263.381 3.331 20 10 CGCDRO CCOc1ccc(N2CC[NH+](C[C@@H]3C[C@H]3CC)CC2)cc1 ZINC001307600074 932974300 /nfs/dbraw/zinc/97/43/00/932974300.db2.gz SPJZDNHGFCEFSC-CVEARBPZSA-N 1 0 288.435 3.253 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CC2(C)C)c(Cl)c1 ZINC001308260064 933083110 /nfs/dbraw/zinc/08/31/10/933083110.db2.gz GYRUTKKVQKFMMA-JTQLQIEISA-N 1 0 253.773 3.490 20 10 CGCDRO CCCOc1ccc(C[NH2+]C[C@H]2CCC[C@@H](O)C2)cc1C ZINC001308281310 933087630 /nfs/dbraw/zinc/08/76/30/933087630.db2.gz AKQJADRKQFDMBO-DOTOQJQBSA-N 1 0 291.435 3.425 20 10 CGCDRO CCCOc1ccc(C[NH2+]C[C@@]2(C)CCCO2)cc1C ZINC001308306481 933092545 /nfs/dbraw/zinc/09/25/45/933092545.db2.gz VOPUEFHACHTVAG-QGZVFWFLSA-N 1 0 277.408 3.443 20 10 CGCDRO C[C@@H]([NH2+]Cc1cc(-c2ccccn2)n[nH]1)c1ccccc1O ZINC001308507066 933121984 /nfs/dbraw/zinc/12/19/84/933121984.db2.gz YALHNKUXDUJLGR-GFCCVEGCSA-N 1 0 294.358 3.028 20 10 CGCDRO C[C@@H]([NH2+]Cc1cc2cccnc2o1)c1ccccc1O ZINC001308507223 933123282 /nfs/dbraw/zinc/12/32/82/933123282.db2.gz ZZUXYOZDLOVAMH-LLVKDONJSA-N 1 0 268.316 3.384 20 10 CGCDRO CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(Cl)cc2[O-])[C@@H](C)C1 ZINC001308569552 933134035 /nfs/dbraw/zinc/13/40/35/933134035.db2.gz YHRVJXGRIKOGHA-WFASDCNBSA-N 1 0 296.842 3.208 20 10 CGCDRO COCC1CC[NH+](Cc2cc(C(C)C)ccc2O)CC1 ZINC001308615321 933143260 /nfs/dbraw/zinc/14/32/60/933143260.db2.gz HFIDKHMQQAUJAK-UHFFFAOYSA-N 1 0 277.408 3.374 20 10 CGCDRO CC(C)c1ccc(O)c(C[N@H+](C)[C@H](CO)C(C)(C)C)c1 ZINC001308622063 933145040 /nfs/dbraw/zinc/14/50/40/933145040.db2.gz YUNUCRLXXIDTFM-MRXNPFEDSA-N 1 0 279.424 3.354 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2C[C@@H]3CCC[C@@H]32)c1 ZINC001308749105 933169806 /nfs/dbraw/zinc/16/98/06/933169806.db2.gz ZSEIJRMKUUNPMZ-UHXUCMFUSA-N 1 0 261.365 3.240 20 10 CGCDRO COc1cc(C)cc(C[NH+]2CC3(C2)CCCCC3)c1O ZINC001308807767 933180403 /nfs/dbraw/zinc/18/04/03/933180403.db2.gz WJPZFSFFJRVEBS-UHFFFAOYSA-N 1 0 275.392 3.475 20 10 CGCDRO CN1CCCC[C@@H]1C[NH2+]Cc1ccc2ccccc2c1O ZINC001474736557 933845180 /nfs/dbraw/zinc/84/51/80/933845180.db2.gz DNENGCABRWFBGU-MRXNPFEDSA-N 1 0 284.403 3.119 20 10 CGCDRO Cc1c[nH+]c2ccccc2c1NCc1ccccc1O ZINC001319909866 933955880 /nfs/dbraw/zinc/95/58/80/933955880.db2.gz WREVARMSTFHNRY-UHFFFAOYSA-N 1 0 264.328 3.283 20 10 CGCDRO CC[C@H](C)[C@H](O)C[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2C ZINC001320411691 934044536 /nfs/dbraw/zinc/04/45/36/934044536.db2.gz RBAHGIWEZUZKNP-MUYACECFSA-N 1 0 277.408 3.246 20 10 CGCDRO CCCN(Cc1cccc2c[nH]nc21)c1ccc(C[NH3+])cc1 ZINC001320870147 934115281 /nfs/dbraw/zinc/11/52/81/934115281.db2.gz XMXBVWQPSBQJPQ-UHFFFAOYSA-N 1 0 294.402 3.438 20 10 CGCDRO Cc1nccn1CCC[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC001321023140 934136312 /nfs/dbraw/zinc/13/63/12/934136312.db2.gz KLOTVBJOKVTLIA-UKRRQHHQSA-N 1 0 299.418 3.434 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CC[C@H](OC)C1)c1ccc(C)cc1O ZINC001321075289 934147406 /nfs/dbraw/zinc/14/74/06/934147406.db2.gz UTVYSJGBDINPDS-IPYPFGDCSA-N 1 0 263.381 3.309 20 10 CGCDRO C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1CCc2cccc(O)c21 ZINC001324847237 934865688 /nfs/dbraw/zinc/86/56/88/934865688.db2.gz DFPVMUFHZJXPAF-YPMHNXCESA-N 1 0 291.391 3.089 20 10 CGCDRO COc1ccc(C[NH2+][C@]2(CO)CCCC(C)(C)C2)cc1C ZINC001473652937 937815992 /nfs/dbraw/zinc/81/59/92/937815992.db2.gz BORCEEOAEHXXPB-GOSISDBHSA-N 1 0 291.435 3.425 20 10 CGCDRO Cc1cnc(CC[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3C)cn1 ZINC001326622248 934994655 /nfs/dbraw/zinc/99/46/55/934994655.db2.gz GUBUYFDMUBWQEB-WFASDCNBSA-N 1 0 297.402 3.180 20 10 CGCDRO Cc1cnc(CC[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3C)cn1 ZINC001326622247 934994687 /nfs/dbraw/zinc/99/46/87/934994687.db2.gz GUBUYFDMUBWQEB-SWLSCSKDSA-N 1 0 297.402 3.180 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+][C@H]1CCC[C@H](F)C1 ZINC001326976796 935019087 /nfs/dbraw/zinc/01/90/87/935019087.db2.gz IJAQAQBSPISYIA-UWVGGRQHSA-N 1 0 257.736 3.416 20 10 CGCDRO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001328699189 935161158 /nfs/dbraw/zinc/16/11/58/935161158.db2.gz CZXKNWYGLRTDJZ-AFIMGQEJSA-N 1 0 288.435 3.188 20 10 CGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001328730726 935164423 /nfs/dbraw/zinc/16/44/23/935164423.db2.gz QHTAVNCSYHCKHY-PFFFPCNUSA-N 1 0 273.376 3.158 20 10 CGCDRO CO[C@H]1CC[C@H]([NH2+]Cc2ccc3ccccc3c2O)C1 ZINC001330432162 935288850 /nfs/dbraw/zinc/28/88/50/935288850.db2.gz MJVKKCSTUIUNBU-GJZGRUSLSA-N 1 0 271.360 3.203 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCC[C@@H](F)C2)cc1 ZINC001332434656 935469535 /nfs/dbraw/zinc/46/95/35/935469535.db2.gz CYALVXDQWJMBJM-KGLIPLIRSA-N 1 0 250.361 3.123 20 10 CGCDRO CCC(CC)[N@H+](CC)Cc1ccc(OC)c(OC)c1O ZINC001333765745 936065077 /nfs/dbraw/zinc/06/50/77/936065077.db2.gz VOSTWQIULXUHEJ-UHFFFAOYSA-N 1 0 281.396 3.420 20 10 CGCDRO Cl/C=C\C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001335133865 936131267 /nfs/dbraw/zinc/13/12/67/936131267.db2.gz LLJAXDRQFMZITE-BAQGIRSFSA-N 1 0 250.773 3.129 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]Cc1csc(N)n1 ZINC001335252462 936135783 /nfs/dbraw/zinc/13/57/83/936135783.db2.gz ILGPPMITIVGBJR-MWLCHTKSSA-N 1 0 289.404 3.077 20 10 CGCDRO Oc1ccc(Br)cc1C[NH2+]CCCC(F)F ZINC001335507224 936150314 /nfs/dbraw/zinc/15/03/14/936150314.db2.gz UBIVNDMUGWGIAW-UHFFFAOYSA-N 1 0 294.139 3.290 20 10 CGCDRO Nc1ccc(C[N@H+](CCC(F)(F)F)CC2CC2)cc1 ZINC001337838771 936293723 /nfs/dbraw/zinc/29/37/23/936293723.db2.gz TUHBAKRLGQNYKY-UHFFFAOYSA-N 1 0 272.314 3.433 20 10 CGCDRO C[C@H](CCc1cccn1C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001474003680 937835234 /nfs/dbraw/zinc/83/52/34/937835234.db2.gz ZTKWERNUQJSXOK-OAHLLOKOSA-N 1 0 298.430 3.461 20 10 CGCDRO Cc1ccc([C@@H](O)C[NH2+]Cc2c(C)c3ccccc3n2C)o1 ZINC001474016750 937835903 /nfs/dbraw/zinc/83/59/03/937835903.db2.gz XMDPMWDQIXFUPP-KRWDZBQOSA-N 1 0 298.386 3.211 20 10 CGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@@H](C)C(=O)OC(C)(C)C ZINC001474496732 937863312 /nfs/dbraw/zinc/86/33/12/937863312.db2.gz WEEKLAJKJYFFRS-ZDUSSCGKSA-N 1 0 292.423 3.092 20 10 CGCDRO C[N@H+](CC[C@@H]1CCOC1)Cc1ccc(N2CCCC2)cc1 ZINC001474506420 937863901 /nfs/dbraw/zinc/86/39/01/937863901.db2.gz YRSVMXBDRVTEJY-QGZVFWFLSA-N 1 0 288.435 3.145 20 10 CGCDRO Cc1ccc(C[NH2+][C@@]2(CO)CCCC(C)(C)C2)c(O)c1 ZINC001474631761 937871646 /nfs/dbraw/zinc/87/16/46/937871646.db2.gz CAOCJEBEFSGTDB-KRWDZBQOSA-N 1 0 277.408 3.122 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C[C@@H]2C[C@H]2Cc2ccccc2)c1 ZINC001474752385 937878771 /nfs/dbraw/zinc/87/87/71/937878771.db2.gz WXFNMTFKDLXPAC-CVEARBPZSA-N 1 0 297.398 3.369 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H]2CCOCC23CCCC3)c1O ZINC001474754498 937879046 /nfs/dbraw/zinc/87/90/46/937879046.db2.gz BAXGCSPYXFALCU-MRXNPFEDSA-N 1 0 289.419 3.394 20 10 CGCDRO C=C/C=C\CC[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC001559642533 938231618 /nfs/dbraw/zinc/23/16/18/938231618.db2.gz STBCVPHEOSSDKP-PLNGDYQASA-N 1 0 290.382 3.089 20 10 CGCDRO CC[C@H]1C[N@H+](CC)CCN1Cc1ccc(N(C)CC)cc1 ZINC001559835584 938236878 /nfs/dbraw/zinc/23/68/78/938236878.db2.gz OMQCYOWISZMHSN-KRWDZBQOSA-N 1 0 289.467 3.059 20 10 CGCDRO CCN(C)c1ccccc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC001560314692 938252367 /nfs/dbraw/zinc/25/23/67/938252367.db2.gz KUWMRCBGNAVMPS-UHFFFAOYSA-N 1 0 296.414 3.367 20 10 CGCDRO CC[C@@H]([NH2+]Cc1c(C)c2ccccc2n1C)[C@@H](O)C(C)C ZINC001560506017 938260925 /nfs/dbraw/zinc/26/09/25/938260925.db2.gz OICXBWONBCFNLR-QAPCUYQASA-N 1 0 288.435 3.372 20 10 CGCDRO Cc1ccc(C[N@@H+](C)C2CC(OC(C)(C)C)C2)c(O)c1 ZINC001560892606 938282025 /nfs/dbraw/zinc/28/20/25/938282025.db2.gz SSPZQDNHWHXKIF-UHFFFAOYSA-N 1 0 277.408 3.479 20 10 CGCDRO COc1cc(C)cc(C[NH2+]C[C@@H]2C[C@@H]2[C@@H]2C[C@H]2C)c1O ZINC001561008140 938289202 /nfs/dbraw/zinc/28/92/02/938289202.db2.gz QNQRIVVKGBPOIU-OSRDXIQISA-N 1 0 275.392 3.091 20 10 CGCDRO CC1(C)CC[C@@H](CC[NH2+]Cc2cc(F)ccc2O)OC1 ZINC001561026816 938290143 /nfs/dbraw/zinc/29/01/43/938290143.db2.gz NLWZVKPIRZBUFA-AWEZNQCLSA-N 1 0 281.371 3.216 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc(N)cc2)c1 ZINC001579258743 960483721 /nfs/dbraw/zinc/48/37/21/960483721.db2.gz AAGQBXHNSWWHKZ-GFCCVEGCSA-N 1 0 256.349 3.128 20 10 CGCDRO CS[C@H]1CCC[C@@H]([NH2+]CCc2ccc(N)cc2)C1 ZINC001579369580 962621563 /nfs/dbraw/zinc/62/15/63/962621563.db2.gz GASXYVALSQETFQ-CABCVRRESA-N 1 0 264.438 3.075 20 10 CGCDRO CN(C)[C@@H](C[NH2+][C@H]1CCc2cccc(O)c21)c1ccccc1 ZINC000295930953 282181573 /nfs/dbraw/zinc/18/15/73/282181573.db2.gz KFXOSTQETLDUBT-IRXDYDNUSA-N 1 0 296.414 3.272 20 10 CGCDRO C[C@@H](CO)[C@@H](C)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000077422467 345572959 /nfs/dbraw/zinc/57/29/59/345572959.db2.gz QKDRFDZHVGZFOB-UONOGXRCSA-N 1 0 285.387 3.166 20 10 CGCDRO CCCN(CCC)c1ccc(C[N@@H+]2CC[C@@H](CO)C2)cc1 ZINC000092764553 345858331 /nfs/dbraw/zinc/85/83/31/345858331.db2.gz CZHQHWOZIKXGBR-QGZVFWFLSA-N 1 0 290.451 3.127 20 10 CGCDRO C[N@@H+](Cc1c(O)ccc2ccccc21)C[C@H]1CCOC1 ZINC000176102488 346249268 /nfs/dbraw/zinc/24/92/68/346249268.db2.gz PVVRSVOVVMRLSP-CYBMUJFWSA-N 1 0 271.360 3.014 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCc2cscn2)c1 ZINC000104449843 186006928 /nfs/dbraw/zinc/00/69/28/186006928.db2.gz ZAKTUFHFCNUCBZ-NSHDSACASA-N 1 0 262.378 3.050 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000019909168 368780523 /nfs/dbraw/zinc/78/05/23/368780523.db2.gz HMCYQJHWORGVTM-LBPRGKRZSA-N 1 0 287.359 3.260 20 10 CGCDRO CCOc1cccc(C[NH2+]CCc2ccccc2)c1O ZINC000019919840 368784609 /nfs/dbraw/zinc/78/46/09/368784609.db2.gz IQADSPHYHHRVJE-UHFFFAOYSA-N 1 0 271.360 3.123 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCc2cccs2)c1 ZINC000019949111 368788755 /nfs/dbraw/zinc/78/87/55/368788755.db2.gz CLZHGPFZRXSBOQ-NSHDSACASA-N 1 0 277.389 3.356 20 10 CGCDRO C[C@@H](CC[NH+](C)C)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000049553311 369409577 /nfs/dbraw/zinc/40/95/77/369409577.db2.gz CRZHVWMCGLDUNY-VIFPVBQESA-N 1 0 291.222 3.129 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](COC)C2CC2)cc1 ZINC000090718004 370065313 /nfs/dbraw/zinc/06/53/13/370065313.db2.gz QVXWXRJSUIEMNW-GUYCJALGSA-N 1 0 276.424 3.218 20 10 CGCDRO COc1cccc(C[NH2+]C[C@@H]2CCOc3ccccc32)c1O ZINC000108880452 370358863 /nfs/dbraw/zinc/35/88/63/370358863.db2.gz NRPBOMVHGKIJHL-ZDUSSCGKSA-N 1 0 299.370 3.057 20 10 CGCDRO COc1ccccc1CC[NH2+]Cc1cc(C)ccc1O ZINC000113313268 370471797 /nfs/dbraw/zinc/47/17/97/370471797.db2.gz KRMAYWJNNARSPQ-UHFFFAOYSA-N 1 0 271.360 3.042 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCOC3(CCCC3)C2)cc1 ZINC000136689415 371481649 /nfs/dbraw/zinc/48/16/49/371481649.db2.gz XLZPMQWAEITJCS-MRXNPFEDSA-N 1 0 288.435 3.334 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCOC3(CCCC3)C2)c1 ZINC000136709592 371481775 /nfs/dbraw/zinc/48/17/75/371481775.db2.gz RMEJJDFBGFEDEM-OAHLLOKOSA-N 1 0 275.392 3.282 20 10 CGCDRO CCC(CC)[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000151292586 371590091 /nfs/dbraw/zinc/59/00/91/371590091.db2.gz FNNLFBBPKMFATQ-UHFFFAOYSA-N 1 0 276.424 3.442 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CC2=CCCOC2)c(O)c1C ZINC000287140927 371610260 /nfs/dbraw/zinc/61/02/60/371610260.db2.gz SFSOQTZDSZHJSI-CYBMUJFWSA-N 1 0 261.365 3.006 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCSC2)c(O)c1 ZINC000287239991 371626692 /nfs/dbraw/zinc/62/66/92/371626692.db2.gz YTZODAMAOVQJPJ-CHWSQXEVSA-N 1 0 265.422 3.494 20 10 CGCDRO CSC[C@H](C)[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000293643833 372435200 /nfs/dbraw/zinc/43/52/00/372435200.db2.gz IFHFUFOJILUHFV-RYUDHWBXSA-N 1 0 253.411 3.411 20 10 CGCDRO CCc1noc(C)c1C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000293723968 372461714 /nfs/dbraw/zinc/46/17/14/372461714.db2.gz NWJVUQHUMKSPKY-SECBINFHSA-N 1 0 278.327 3.241 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](O)c2ccccc2)c(O)c1 ZINC000293789914 372482934 /nfs/dbraw/zinc/48/29/34/372482934.db2.gz QNEZXHNPDDJNPF-RHSMWYFYSA-N 1 0 285.387 3.393 20 10 CGCDRO CO[C@@H](C[NH2+][C@H](C)c1ccc(C)c(C)c1O)C1CC1 ZINC000293747614 372468881 /nfs/dbraw/zinc/46/88/81/372468881.db2.gz QAFGVDKKGRKIQU-DOMZBBRYSA-N 1 0 263.381 3.085 20 10 CGCDRO C[C@H](O)C[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000293794389 372484734 /nfs/dbraw/zinc/48/47/34/372484734.db2.gz QTYWORXYTGBKFJ-WMLDXEAASA-N 1 0 285.387 3.037 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCC2(OC)CCC2)c1 ZINC000293879299 372511479 /nfs/dbraw/zinc/51/14/79/372511479.db2.gz UBGZEEWTPVZXEA-GFCCVEGCSA-N 1 0 279.380 3.011 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccn(C)c2)c(O)c1 ZINC000294652814 372664588 /nfs/dbraw/zinc/66/45/88/372664588.db2.gz GVSSPNHBUVNCKT-CYBMUJFWSA-N 1 0 258.365 3.198 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](CO)c2ccccc2)c(O)c1 ZINC000294700959 372667803 /nfs/dbraw/zinc/66/78/03/372667803.db2.gz JANMBMYRSXXIOD-RDJZCZTQSA-N 1 0 299.414 3.436 20 10 CGCDRO Cc1cccc(C[NH2+]Cc2ccnc(C(F)(F)F)c2)c1O ZINC000295009957 372685726 /nfs/dbraw/zinc/68/57/26/372685726.db2.gz JIRJMZMSHUDWMM-UHFFFAOYSA-N 1 0 296.292 3.404 20 10 CGCDRO OC[C@@H]1CC[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000295080985 372690752 /nfs/dbraw/zinc/69/07/52/372690752.db2.gz QJYODDBEVGSMON-KDOFPFPSSA-N 1 0 297.398 3.310 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]CCOc1ccccc1)CC2 ZINC000295775936 372908162 /nfs/dbraw/zinc/90/81/62/372908162.db2.gz ANWZZAWDTUOXHQ-OAHLLOKOSA-N 1 0 269.344 3.048 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]CCSC(F)(F)F)CC2 ZINC000295906360 372952075 /nfs/dbraw/zinc/95/20/75/372952075.db2.gz IYRDCPTXTDAHNC-VIFPVBQESA-N 1 0 277.311 3.222 20 10 CGCDRO CCOC1CC(CC[NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000296287045 373079543 /nfs/dbraw/zinc/07/95/43/373079543.db2.gz CYFWZAKCXMCAIA-PESDSKBTSA-N 1 0 275.392 3.174 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H](C)CCCO)cc1 ZINC000296297516 373083749 /nfs/dbraw/zinc/08/37/49/373083749.db2.gz FSQVGSTXHBUPJQ-HUUCEWRRSA-N 1 0 278.440 3.202 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+][C@H](C)CCCCO)c(O)c1 ZINC000296579539 373185095 /nfs/dbraw/zinc/18/50/95/373185095.db2.gz UGHWGKXZTIZOTD-ZIAGYGMSSA-N 1 0 265.397 3.211 20 10 CGCDRO CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(F)cc1[O-] ZINC000296601037 373191210 /nfs/dbraw/zinc/19/12/10/373191210.db2.gz VPVZVLBBORICGS-NQKGRLOXSA-N 1 0 292.398 3.197 20 10 CGCDRO CC(C)[C@@H](O)C(C)(C)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296796770 373248721 /nfs/dbraw/zinc/24/87/21/373248721.db2.gz LIAZFPJCZVIRSF-XJKSGUPXSA-N 1 0 277.408 3.012 20 10 CGCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@@H](C)C3)cc2)CC1 ZINC000296988022 373255347 /nfs/dbraw/zinc/25/53/47/373255347.db2.gz FELXGAWMQRKHMB-OAHLLOKOSA-N 1 0 288.435 3.144 20 10 CGCDRO COc1ccc(N2CCCN(c3cc[nH+]c(C)c3)CC2)cc1 ZINC000302531620 373889545 /nfs/dbraw/zinc/88/95/45/373889545.db2.gz CVTXAAFACMOYFE-UHFFFAOYSA-N 1 0 297.402 3.115 20 10 CGCDRO C[N@H+](CCOCc1ccccc1)Cc1ccccc1O ZINC000179585985 373890970 /nfs/dbraw/zinc/89/09/70/373890970.db2.gz BPYQBCQLTOZIAI-UHFFFAOYSA-N 1 0 271.360 3.041 20 10 CGCDRO COc1ccc(C[N@H+](C)Cc2cccc(C)c2O)cc1O ZINC000179832162 373925065 /nfs/dbraw/zinc/92/50/65/373925065.db2.gz JRXYMABHMRVBLH-UHFFFAOYSA-N 1 0 287.359 3.047 20 10 CGCDRO C[C@@H]([NH2+]CCCn1cccn1)c1ccc2ccccc2c1O ZINC000181974286 374198085 /nfs/dbraw/zinc/19/80/85/374198085.db2.gz UKYACXSGYJEJTQ-CQSZACIVSA-N 1 0 295.386 3.483 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C2Cc3ccccc3C2)c1 ZINC000182391417 374267586 /nfs/dbraw/zinc/26/75/86/374267586.db2.gz MYGLTZKLYKPFAC-GFCCVEGCSA-N 1 0 283.371 3.219 20 10 CGCDRO Cc1cccc(C[N@@H+](C)C[C@@H](C)c2nccs2)c1O ZINC000183254826 374393067 /nfs/dbraw/zinc/39/30/67/374393067.db2.gz VDIPOQRSXQJHRX-GFCCVEGCSA-N 1 0 276.405 3.393 20 10 CGCDRO C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)c1ccccc1O ZINC000183493391 374420453 /nfs/dbraw/zinc/42/04/53/374420453.db2.gz CPNQMHQUEQYZQF-STQMWFEESA-N 1 0 271.360 3.380 20 10 CGCDRO Cc1cccc(C[N@@H+](C)[C@@H](C)c2cccnc2)c1O ZINC000183726408 374447377 /nfs/dbraw/zinc/44/73/77/374447377.db2.gz SJCWVTYIFLIHCK-ZDUSSCGKSA-N 1 0 256.349 3.289 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CCCC[C@@H](C)C2)cc1OC ZINC000187517823 375034440 /nfs/dbraw/zinc/03/44/40/375034440.db2.gz VSLOWJUUDNAVEO-GFCCVEGCSA-N 1 0 279.380 3.031 20 10 CGCDRO Cc1ccc(O)c(C[NH+]2CCC([C@H]3CCCO3)CC2)c1 ZINC000188280327 375189965 /nfs/dbraw/zinc/18/99/65/375189965.db2.gz UFVPIPJAHDWWTE-QGZVFWFLSA-N 1 0 275.392 3.092 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]Cc2cc(F)ccc2O)c1 ZINC000226585530 376365772 /nfs/dbraw/zinc/36/57/72/376365772.db2.gz MSFICJXAROVJEY-NSHDSACASA-N 1 0 275.323 3.391 20 10 CGCDRO Oc1ccccc1C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000238102223 376769094 /nfs/dbraw/zinc/76/90/94/376769094.db2.gz PISBZAVOSYRQMJ-HOTGVXAUSA-N 1 0 253.345 3.286 20 10 CGCDRO CCCC[N@H+](Cc1cc(OC)c(OC)cc1O)C1CC1 ZINC000271114113 378454222 /nfs/dbraw/zinc/45/42/22/378454222.db2.gz VQCVYXUSHHVHNI-UHFFFAOYSA-N 1 0 279.380 3.174 20 10 CGCDRO [O-]c1c(Cl)cccc1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000271933909 378522703 /nfs/dbraw/zinc/52/27/03/378522703.db2.gz VBSVEFCRZMIXHY-UHFFFAOYSA-N 1 0 294.826 3.152 20 10 CGCDRO Oc1ccccc1C[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000271290872 378489740 /nfs/dbraw/zinc/48/97/40/378489740.db2.gz QDSKPNPMSGTYDE-IBGZPJMESA-N 1 0 297.398 3.338 20 10 CGCDRO C[C@H]([NH2+]C1CC(C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000271541541 378496923 /nfs/dbraw/zinc/49/69/23/378496923.db2.gz UKGDNMVIMNQKHU-OWYJLGKBSA-N 1 0 292.398 3.111 20 10 CGCDRO Cc1ccncc1[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000271554369 378497121 /nfs/dbraw/zinc/49/71/21/378497121.db2.gz UXRWMIDSIUNWRV-CQSZACIVSA-N 1 0 269.392 3.307 20 10 CGCDRO Cc1cccc2oc(CC[NH2+]Cc3cccc(C)c3O)nc21 ZINC000271798446 378503811 /nfs/dbraw/zinc/50/38/11/378503811.db2.gz IJKOIKNTXKRGDD-UHFFFAOYSA-N 1 0 296.370 3.483 20 10 CGCDRO CO[C@@H](c1ccccc1F)[C@H](C)[NH2+]Cc1ccccc1O ZINC000271976954 378534804 /nfs/dbraw/zinc/53/48/04/378534804.db2.gz IVDJVVBLPXPAPO-YVEFUNNKSA-N 1 0 289.350 3.397 20 10 CGCDRO COCC[C@H]([NH2+]Cc1ccc(OC)c(C)c1)c1ccco1 ZINC000272420184 378632984 /nfs/dbraw/zinc/63/29/84/378632984.db2.gz DEXVJRXWRSRPHV-HNNXBMFYSA-N 1 0 289.375 3.464 20 10 CGCDRO CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2O)CCO1 ZINC000272516054 378655060 /nfs/dbraw/zinc/65/50/60/378655060.db2.gz XQFUKNRYEBBIQD-ZFWWWQNUSA-N 1 0 281.371 3.215 20 10 CGCDRO CS[C@H](C)C[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000273511633 378750346 /nfs/dbraw/zinc/75/03/46/378750346.db2.gz RUTOCSIFQVKVRK-PWSUYJOCSA-N 1 0 253.411 3.411 20 10 CGCDRO CO[C@@]1(C)CCC[N@H+](Cc2cccc(C)c2O)CC1 ZINC000373467006 379283232 /nfs/dbraw/zinc/28/32/32/379283232.db2.gz QICJUGDEWNHTQI-INIZCTEOSA-N 1 0 263.381 3.092 20 10 CGCDRO FC1(F)CC[C@@H](C[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000281384713 379832109 /nfs/dbraw/zinc/83/21/09/379832109.db2.gz GVCITDBPSXUNFC-GFCCVEGCSA-N 1 0 267.319 3.147 20 10 CGCDRO CCCC[N@H+](Cc1cnn(C)c1C)Cc1ccccc1O ZINC000282524855 379937873 /nfs/dbraw/zinc/93/78/73/379937873.db2.gz UJEHMTCUVYKZCK-UHFFFAOYSA-N 1 0 287.407 3.236 20 10 CGCDRO COCC1(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)CCC1 ZINC000282915985 380012415 /nfs/dbraw/zinc/01/24/15/380012415.db2.gz XQLJKDPGFCBMBS-AWEZNQCLSA-N 1 0 276.424 3.220 20 10 CGCDRO CC[C@@H]([NH2+][C@H]1CCc2nc[nH]c2C1)c1ccc(C)cc1O ZINC000368101815 382364908 /nfs/dbraw/zinc/36/49/08/382364908.db2.gz LQOPYDXADKEGER-GXTWGEPZSA-N 1 0 285.391 3.022 20 10 CGCDRO CCOC[C@H]1CC[N@H+](Cc2ccc(N(CC)CC)cc2)C1 ZINC000093839388 392241497 /nfs/dbraw/zinc/24/14/97/392241497.db2.gz FULDLUBOVHBZHO-KRWDZBQOSA-N 1 0 290.451 3.391 20 10 CGCDRO CN(C)c1ccc(C[NH2+]Cc2cnc(C(C)(C)C)nc2)cc1 ZINC000284325139 392312151 /nfs/dbraw/zinc/31/21/51/392312151.db2.gz KIMQXOMGVHYUEI-UHFFFAOYSA-N 1 0 298.434 3.130 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCSC(C)C)c1 ZINC000283141395 392300806 /nfs/dbraw/zinc/30/08/06/392300806.db2.gz NZEZKMXIBIDUIX-NSHDSACASA-N 1 0 269.410 3.193 20 10 CGCDRO CCc1ccc([C@@H](COC)[NH2+]Cc2ccccc2O)o1 ZINC000174480215 392642478 /nfs/dbraw/zinc/64/24/78/392642478.db2.gz VKNAFZOUGUWMGP-CQSZACIVSA-N 1 0 275.348 3.025 20 10 CGCDRO COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H](C)c2cc(Cl)ccc2O)C1 ZINC000193877406 392888117 /nfs/dbraw/zinc/88/81/17/392888117.db2.gz VVWDDVJXWXRVOW-JBLDHEPKSA-N 1 0 297.782 3.038 20 10 CGCDRO CSC1(C[NH2+]Cc2ccc(N(C)C)cc2)CCC1 ZINC000193647891 392882582 /nfs/dbraw/zinc/88/25/82/392882582.db2.gz IBBHIJYPSZZIRR-UHFFFAOYSA-N 1 0 264.438 3.128 20 10 CGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H]1CSC[C@@H]1C ZINC000397811242 397698200 /nfs/dbraw/zinc/69/82/00/397698200.db2.gz YWIRLMMDYUZCAP-FZMZJTMJSA-N 1 0 274.433 3.328 20 10 CGCDRO CC[C@@H]([NH2+]C1CCN(C(C)C)CC1)c1ccccc1O ZINC000020189263 171054236 /nfs/dbraw/zinc/05/42/36/171054236.db2.gz SLSVFFLESLVVQQ-MRXNPFEDSA-N 1 0 276.424 3.306 20 10 CGCDRO C[C@@H]([NH2+]CCc1ccc2c(c1)OCCO2)c1ccccc1O ZINC000020827504 171274783 /nfs/dbraw/zinc/27/47/83/171274783.db2.gz RCGIXHWJUIVZKM-CYBMUJFWSA-N 1 0 299.370 3.057 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](C)c2ccccn2)cc1C ZINC000035052530 171953194 /nfs/dbraw/zinc/95/31/94/171953194.db2.gz CPEFMFYAYVWUDI-ZDUSSCGKSA-N 1 0 256.349 3.249 20 10 CGCDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccccc2O)cc1 ZINC000130425172 260395568 /nfs/dbraw/zinc/39/55/68/260395568.db2.gz YUHFVKWPQHZTKS-CYBMUJFWSA-N 1 0 271.360 3.122 20 10 CGCDRO CC[C@](C)(O)C[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000154460379 261091779 /nfs/dbraw/zinc/09/17/79/261091779.db2.gz FRRDFEWYFFMGGN-QAPCUYQASA-N 1 0 290.451 3.489 20 10 CGCDRO CC[C@H]([NH2+]Cc1cccc(N(C)C)n1)c1ccccc1O ZINC000156928730 261135306 /nfs/dbraw/zinc/13/53/06/261135306.db2.gz IFNMBCICDTZZHS-HNNXBMFYSA-N 1 0 285.391 3.094 20 10 CGCDRO CC[C@H](C[NH2+][C@@H](C)c1ccc(C)cc1O)N1CCCC1 ZINC000184990911 262036992 /nfs/dbraw/zinc/03/69/92/262036992.db2.gz UYHYWKZRJSNTDZ-LSDHHAIUSA-N 1 0 276.424 3.226 20 10 CGCDRO Cc1ccc([C@H](O)C[NH2+][C@H](C)c2cc(C)ccc2O)cc1 ZINC000185098834 262040937 /nfs/dbraw/zinc/04/09/37/262040937.db2.gz CFYSPTHCKLJTSK-RDTXWAMCSA-N 1 0 285.387 3.393 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)c2ccccc2F)c1 ZINC000185095562 262041026 /nfs/dbraw/zinc/04/10/26/262041026.db2.gz SIPRUWMICNMUQS-SJKOYZFVSA-N 1 0 289.350 3.224 20 10 CGCDRO C[C@H]([NH2+][C@H](CCO)C(C)(C)C)c1cc(Cl)ccc1O ZINC000185190838 262045211 /nfs/dbraw/zinc/04/52/11/262045211.db2.gz YQNXEEDYQKIODF-IINYFYTJSA-N 1 0 285.815 3.493 20 10 CGCDRO CC(C)C[C@H]1OCCC[C@H]1[NH2+]Cc1ccccc1O ZINC000185195144 262045327 /nfs/dbraw/zinc/04/53/27/262045327.db2.gz RMIUMNFMYQVDRP-GDBMZVCRSA-N 1 0 263.381 3.076 20 10 CGCDRO C[C@@H]([NH2+]C[C@](C)(O)c1cccs1)c1cc(F)ccc1O ZINC000185519643 262057731 /nfs/dbraw/zinc/05/77/31/262057731.db2.gz VLKFWXDTLZTNAX-BMIGLBTASA-N 1 0 295.379 3.151 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@]2(O)CCc3ccccc32)c1 ZINC000186165519 262083106 /nfs/dbraw/zinc/08/31/06/262083106.db2.gz UJFMGJDZAIQPIO-KUHUBIRLSA-N 1 0 297.398 3.185 20 10 CGCDRO CO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000276885654 263038440 /nfs/dbraw/zinc/03/84/40/263038440.db2.gz GTWJZLVGSCLQHY-ZWKOPEQDSA-N 1 0 285.334 3.279 20 10 CGCDRO CSCCCCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000185164631 265003048 /nfs/dbraw/zinc/00/30/48/265003048.db2.gz OJPVQFGQFNVITF-UHFFFAOYSA-N 1 0 265.422 3.244 20 10 CGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H](C)c1nccnc1C ZINC000358977364 266516534 /nfs/dbraw/zinc/51/65/34/266516534.db2.gz CDYAVPSUECREJM-AWEZNQCLSA-N 1 0 294.402 3.436 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2CCC[C@H](c3nccn3C)C2)cc1C ZINC000369684632 267258907 /nfs/dbraw/zinc/25/89/07/267258907.db2.gz WJRCKYITVLAUEY-HNNXBMFYSA-N 1 0 299.418 3.122 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CC[C@@H](CO)CC1)c1ccc(N(C)C)cc1 ZINC000120213766 276593096 /nfs/dbraw/zinc/59/30/96/276593096.db2.gz VYZNBSMWFPBJMR-ZVZYQTTQSA-N 1 0 290.451 3.344 20 10 CGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H]1CN(C2CC2)C[C@H]1C ZINC000355140594 280269928 /nfs/dbraw/zinc/26/99/28/280269928.db2.gz XZBOMXVRWTZRNZ-DYVFJYSZSA-N 1 0 297.446 3.059 20 10 CGCDRO COCCCC[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000185037134 327835966 /nfs/dbraw/zinc/83/59/66/327835966.db2.gz XGELGHORGODRDV-SNVBAGLBSA-N 1 0 257.761 3.123 20 10 CGCDRO CC[C@@H]([NH2+][C@H](C)c1nnc(C)s1)c1ccccc1O ZINC000274793720 328010973 /nfs/dbraw/zinc/01/09/73/328010973.db2.gz SOXBSBKMEYFEHX-BXKDBHETSA-N 1 0 277.393 3.354 20 10 CGCDRO CC(C)c1nnc([C@H](C)[NH2+][C@H](C)c2ccccc2O)[nH]1 ZINC000272852029 328200951 /nfs/dbraw/zinc/20/09/51/328200951.db2.gz LHHCGPXMAAPTHD-MNOVXSKESA-N 1 0 274.368 3.046 20 10 CGCDRO CN(C)c1ccccc1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296996166 328293041 /nfs/dbraw/zinc/29/30/41/328293041.db2.gz SMNRZRVMNGQQRG-OAHLLOKOSA-N 1 0 282.387 3.235 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)cc1C ZINC000368060418 327233757 /nfs/dbraw/zinc/23/37/57/327233757.db2.gz MLORYQIGWYSSIW-KRWDZBQOSA-N 1 0 296.414 3.469 20 10 CGCDRO COc1cccc(C[N@@H+]2CC3(CCC3)[C@@H]2C2CC2)c1O ZINC000378142210 329041500 /nfs/dbraw/zinc/04/15/00/329041500.db2.gz SEQSSHXZOMWUAN-INIZCTEOSA-N 1 0 273.376 3.165 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]C2(C)CCC2)c1O ZINC000169094592 329063730 /nfs/dbraw/zinc/06/37/30/329063730.db2.gz BCSFQXRGHVFVHE-UHFFFAOYSA-N 1 0 255.745 3.086 20 10 CGCDRO Cc1ccccc1[C@@H]1C[N@H+](Cc2ccccc2O)CCO1 ZINC000360042989 329070491 /nfs/dbraw/zinc/07/04/91/329070491.db2.gz ZSHXEWGZFUFQMG-SFHVURJKSA-N 1 0 283.371 3.274 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]CC[C@H]1CCCCO1 ZINC000227338555 329272247 /nfs/dbraw/zinc/27/22/47/329272247.db2.gz SZGMVGXBAKSMRL-LLVKDONJSA-N 1 0 269.772 3.094 20 10 CGCDRO CCc1cnc(C[NH2+]Cc2cc(C)ccc2O)s1 ZINC000230707260 329371980 /nfs/dbraw/zinc/37/19/80/329371980.db2.gz ONXWHHQULIRIRF-UHFFFAOYSA-N 1 0 262.378 3.009 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCCOC2)c(O)c1 ZINC000527925120 330296489 /nfs/dbraw/zinc/29/64/89/330296489.db2.gz IAHAOISQVOSHCH-KGLIPLIRSA-N 1 0 263.381 3.168 20 10 CGCDRO CCO[C@@]1(C)C[C@H]1[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000527976876 330302069 /nfs/dbraw/zinc/30/20/69/330302069.db2.gz GRAUQMNWXNSYNK-XPKDYRNWSA-N 1 0 263.381 3.227 20 10 CGCDRO Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+]CC1COC1 ZINC000528029597 330305203 /nfs/dbraw/zinc/30/52/03/330305203.db2.gz ZRYRBRLDLBYLJL-GOSISDBHSA-N 1 0 297.398 3.302 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC2(N(C)C)CCCC2)c1 ZINC000160696748 330873642 /nfs/dbraw/zinc/87/36/42/330873642.db2.gz AZSJEYASSFQJFB-CQSZACIVSA-N 1 0 276.424 3.226 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCC[C@@H](SC)C2)c1 ZINC000224819896 333226246 /nfs/dbraw/zinc/22/62/46/333226246.db2.gz MNYUGKCBTFTOQJ-TZMCWYRMSA-N 1 0 281.421 3.165 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)C2CCOCC2)cc1 ZINC000230223569 333315905 /nfs/dbraw/zinc/31/59/05/333315905.db2.gz AXJFONVAHQIUMH-OAHLLOKOSA-N 1 0 290.451 3.438 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)c1ccc2ccccc2c1O ZINC000230659257 333319889 /nfs/dbraw/zinc/31/98/89/333319889.db2.gz UWYGDNGNMYZJQR-NOZJJQNGSA-N 1 0 299.292 3.119 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1O ZINC000272800406 334756586 /nfs/dbraw/zinc/75/65/86/334756586.db2.gz BGQHVEVTEOWTES-DOTOQJQBSA-N 1 0 296.414 3.317 20 10 CGCDRO C/C=C/C[C@H](CO)[NH2+][C@@H](CC)c1ccc(C)cc1O ZINC000280218974 518541429 /nfs/dbraw/zinc/54/14/29/518541429.db2.gz UQMFQZGLSFUSAO-HNLSUCLVSA-N 1 0 263.381 3.068 20 10 CGCDRO CC(C)CCC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000037996836 519641703 /nfs/dbraw/zinc/64/17/03/519641703.db2.gz VDCIZYLIZZWUJW-UHFFFAOYSA-N 1 0 276.424 3.049 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@](C)(O)CC2)cc1 ZINC000279667994 520891659 /nfs/dbraw/zinc/89/16/59/520891659.db2.gz MWJGYKPVCQXAOF-GOSISDBHSA-N 1 0 290.451 3.270 20 10 CGCDRO CCC[C@@](C)(O)C[NH2+][C@@H](CC)c1ccc(C)cc1O ZINC000280294046 520939578 /nfs/dbraw/zinc/93/95/78/520939578.db2.gz ZKWIDDHPBGIPFJ-GOEBONIOSA-N 1 0 265.397 3.292 20 10 CGCDRO CCOc1ccc(O)c(C[N@H+](C)Cc2occc2C)c1 ZINC000292699586 521144627 /nfs/dbraw/zinc/14/46/27/521144627.db2.gz CEQAVRICMJJGIQ-UHFFFAOYSA-N 1 0 275.348 3.324 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](C)N(C)C1CC1)c1ccc(C)cc1O ZINC000280142460 522607938 /nfs/dbraw/zinc/60/79/38/522607938.db2.gz PUBPXGVFNPZVAH-CJNGLKHVSA-N 1 0 276.424 3.224 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)c1cnn(C)c1)c1ccc(C)cc1O ZINC000279935379 522702639 /nfs/dbraw/zinc/70/26/39/522702639.db2.gz AXZAYOXFPWZAKY-WFASDCNBSA-N 1 0 273.380 3.236 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCN(c2ccccn2)C1)c1ccccc1O ZINC000156901435 522721657 /nfs/dbraw/zinc/72/16/57/522721657.db2.gz SKFZTVTVHAWATL-ZBFHGGJFSA-N 1 0 297.402 3.107 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCSC1)c1ccc(C)cc1O ZINC000279988796 522759274 /nfs/dbraw/zinc/75/92/74/522759274.db2.gz FFEKBPMTFZNTSW-AAEUAGOBSA-N 1 0 251.395 3.247 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CC(C)(C)[C@H]2C2CC2)cc1OC ZINC000291520006 522775335 /nfs/dbraw/zinc/77/53/35/522775335.db2.gz JAZMSTUHHXOXDV-MRXNPFEDSA-N 1 0 291.391 3.030 20 10 CGCDRO COCC(C)(C)[N@H+](C)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000292128416 522811815 /nfs/dbraw/zinc/81/18/15/522811815.db2.gz IGHSKTBIUTZBJH-UHFFFAOYSA-N 1 0 299.798 3.105 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](CO)c1ccc(F)cc1)c1ccccc1O ZINC000274913290 522921747 /nfs/dbraw/zinc/92/17/47/522921747.db2.gz NPDRUWYYARJCSV-CVEARBPZSA-N 1 0 289.350 3.306 20 10 CGCDRO COc1ccc(C[NH2+]CCc2scnc2C)cc1C ZINC000295029881 524071081 /nfs/dbraw/zinc/07/10/81/524071081.db2.gz NVMLWAKJNDRSRU-UHFFFAOYSA-N 1 0 276.405 3.101 20 10 CGCDRO Cc1cccc(C[NH2+]Cc2ccc3c(n2)CCCC3)c1O ZINC000278825479 524432262 /nfs/dbraw/zinc/43/22/62/524432262.db2.gz ZYNZOHGMRIBLMP-UHFFFAOYSA-N 1 0 282.387 3.264 20 10 CGCDRO Cc1ccc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000062051293 524604431 /nfs/dbraw/zinc/60/44/31/524604431.db2.gz YTDCQPDZJMVJOB-CQSZACIVSA-N 1 0 269.392 3.307 20 10 CGCDRO Cc1cc(CN2CCC([NH2+]C(C)C)CC2)ccc1N(C)C ZINC000292750475 524677711 /nfs/dbraw/zinc/67/77/11/524677711.db2.gz ICSGGAHPQCMATJ-UHFFFAOYSA-N 1 0 289.467 3.023 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+]C[C@H]2CCOC[C@H]2C)c1O ZINC000289842854 524869491 /nfs/dbraw/zinc/86/94/91/524869491.db2.gz URECFNRBELWDKR-VXGBXAGGSA-N 1 0 283.799 3.116 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+]C[C@H]2CCSC2)c1O ZINC000279799656 524869856 /nfs/dbraw/zinc/86/98/56/524869856.db2.gz JRFCVRCVOZHUJV-SNVBAGLBSA-N 1 0 271.813 3.197 20 10 CGCDRO CSC1(C[NH2+]Cc2c(O)cccc2Cl)CCC1 ZINC000227945231 525333214 /nfs/dbraw/zinc/33/32/14/525333214.db2.gz RJZOMBTUUHOPMN-UHFFFAOYSA-N 1 0 271.813 3.421 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC000050015575 525364922 /nfs/dbraw/zinc/36/49/22/525364922.db2.gz JXELLVYNJHNVSV-LBPRGKRZSA-N 1 0 286.331 3.460 20 10 CGCDRO C[C@@H]([NH2+]C[C@H](c1ccsc1)N(C)C)c1ccccc1O ZINC000272813478 525497907 /nfs/dbraw/zinc/49/79/07/525497907.db2.gz DPPGHSIIHSDYND-IUODEOHRSA-N 1 0 290.432 3.407 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccncc1 ZINC000050286063 525531425 /nfs/dbraw/zinc/53/14/25/525531425.db2.gz XDKOQCXPMPSRCH-CQSZACIVSA-N 1 0 281.403 3.315 20 10 CGCDRO COC(=O)c1cc2ccccc2c(C[N@@H+]2CC[C@H](C)C2)c1O ZINC000725777921 572400304 /nfs/dbraw/zinc/40/03/04/572400304.db2.gz JGNZSNYRGYYPND-LBPRGKRZSA-N 1 0 299.370 3.174 20 10 CGCDRO CN1CCC[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000725846944 572439602 /nfs/dbraw/zinc/43/96/02/572439602.db2.gz ZBILLYJWNRQMAS-SFHVURJKSA-N 1 0 296.414 3.243 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](C)c2ccccn2)c1 ZINC000725849330 572442498 /nfs/dbraw/zinc/44/24/98/572442498.db2.gz KNUWJZUWEJTUQY-LBPRGKRZSA-N 1 0 272.348 3.037 20 10 CGCDRO COc1ccc(O)c(C[NH2+]Cc2ccc3ccccc3n2)c1 ZINC000742370931 572569225 /nfs/dbraw/zinc/56/92/25/572569225.db2.gz BBWZKWGWEGZXPY-UHFFFAOYSA-N 1 0 294.354 3.239 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)cc1C ZINC000742376759 572570744 /nfs/dbraw/zinc/57/07/44/572570744.db2.gz GEZFFLCZPMBJLT-USXIJHARSA-N 1 0 289.419 3.297 20 10 CGCDRO CCOc1ccc(C[NH2+][C@@H](C)CC(C)(C)OC)c(O)c1 ZINC000742378018 572571334 /nfs/dbraw/zinc/57/13/34/572571334.db2.gz TWCPTDHHYQPHFX-LBPRGKRZSA-N 1 0 281.396 3.084 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)[C@@H]1CCOC1 ZINC000742380430 572571475 /nfs/dbraw/zinc/57/14/75/572571475.db2.gz LOLHPHRGRPXHSH-AEFFLSMTSA-N 1 0 288.435 3.192 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)CC2(O)CCCC2)cc1 ZINC000746296452 572864932 /nfs/dbraw/zinc/86/49/32/572864932.db2.gz LYSMSQDHVGVLDL-UHFFFAOYSA-N 1 0 290.451 3.270 20 10 CGCDRO Cc1cc(C[N@@H+]2CCCOCC2)c(O)c(C(C)(C)C)c1 ZINC000748072562 572958906 /nfs/dbraw/zinc/95/89/06/572958906.db2.gz ISBDJMDYJRBNFK-UHFFFAOYSA-N 1 0 277.408 3.220 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccn(C)c2)cc1F ZINC000748099340 572960216 /nfs/dbraw/zinc/96/02/16/572960216.db2.gz SJGZNCCZIDQBHX-UHFFFAOYSA-N 1 0 289.398 3.300 20 10 CGCDRO C[N@@H+](Cc1ccccc1O)C[C@@H]1CC1(Cl)Cl ZINC000749299138 572991758 /nfs/dbraw/zinc/99/17/58/572991758.db2.gz SUHSGWCWTYOKHL-JTQLQIEISA-N 1 0 260.164 3.018 20 10 CGCDRO COc1cc(Cl)cc(C[NH+]2[C@H](C)C[C@H]2C)c1O ZINC000793220849 629430094 /nfs/dbraw/zinc/43/00/94/629430094.db2.gz RXLIPOTWBULHCX-RKDXNWHRSA-N 1 0 255.745 3.037 20 10 CGCDRO CN1CCCc2cc(C[NH2+]C(C3CC3)C3CC3)ccc21 ZINC000050286136 618088848 /nfs/dbraw/zinc/08/88/48/618088848.db2.gz FPMQIKRKIGOQLW-UHFFFAOYSA-N 1 0 270.420 3.347 20 10 CGCDRO COc1ccc(C[N@@H+]2CCC[C@@H]2CC(C)C)c(O)c1OC ZINC000891617732 618242208 /nfs/dbraw/zinc/24/22/08/618242208.db2.gz IAHTWWSUSFIVET-CQSZACIVSA-N 1 0 293.407 3.420 20 10 CGCDRO COc1ccc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)c(O)c1OC ZINC000891802424 618306820 /nfs/dbraw/zinc/30/68/20/618306820.db2.gz CAYMYKNFBNYONX-OCCSQVGLSA-N 1 0 291.391 3.174 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2CCCC[C@H]2C)c(O)c1OC ZINC000892447890 618787788 /nfs/dbraw/zinc/78/77/88/618787788.db2.gz XNRRCFGVZDLGIN-YPMHNXCESA-N 1 0 279.380 3.078 20 10 CGCDRO CCS[C@H]1CCCC[N@H+](Cc2ccccc2O)C1 ZINC000179574397 618796505 /nfs/dbraw/zinc/79/65/05/618796505.db2.gz SJVLKKRRVGPSRA-AWEZNQCLSA-N 1 0 265.422 3.500 20 10 CGCDRO C[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)C1CCCCC1 ZINC000052334397 618823304 /nfs/dbraw/zinc/82/33/04/618823304.db2.gz FWPJOYHETCEYHI-LLVKDONJSA-N 1 0 277.364 3.179 20 10 CGCDRO COc1cc(C[N@H+](C)C2CC2)c(O)c(C(C)(C)C)c1 ZINC000163977415 618892090 /nfs/dbraw/zinc/89/20/90/618892090.db2.gz IGORMAPFTHAOJO-UHFFFAOYSA-N 1 0 263.381 3.293 20 10 CGCDRO COc1ccc(C[NH2+]C[C@H]2CCCC[C@H]2C)c(O)c1OC ZINC000892677585 618900008 /nfs/dbraw/zinc/90/00/08/618900008.db2.gz HWFJLIHAFUHGMA-CHWSQXEVSA-N 1 0 293.407 3.325 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@H]1CCCOCC1 ZINC000840894333 618944360 /nfs/dbraw/zinc/94/43/60/618944360.db2.gz QLACIZHDHZFTEQ-WBVHZDCISA-N 1 0 290.451 3.151 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCC[C@H](CO)C2)cc1 ZINC000314095718 618959108 /nfs/dbraw/zinc/95/91/08/618959108.db2.gz CTRDGSCGTGTXPL-IRXDYDNUSA-N 1 0 290.451 3.174 20 10 CGCDRO CC(C)(CN1CCCC1)[NH2+]Cc1cc(Cl)ccc1O ZINC000308627461 618963283 /nfs/dbraw/zinc/96/32/83/618963283.db2.gz GRZQIRZERCEEAP-UHFFFAOYSA-N 1 0 282.815 3.010 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H]1COc2ccccc2O1)c1ccccc1O ZINC000314397297 618972554 /nfs/dbraw/zinc/97/25/54/618972554.db2.gz UAYSTOILUVCMKK-HIFRSBDPSA-N 1 0 299.370 3.273 20 10 CGCDRO COc1ccc(C[NH2+]CCCSc2nccs2)o1 ZINC000893045499 618984339 /nfs/dbraw/zinc/98/43/39/618984339.db2.gz RPXIHWIFCZALMG-UHFFFAOYSA-N 1 0 284.406 3.017 20 10 CGCDRO COc1cccc(C[NH2+]Cc2ccc3ncccc3c2)c1O ZINC000192978116 619124292 /nfs/dbraw/zinc/12/42/92/619124292.db2.gz UIFLAXBNWHTNFJ-UHFFFAOYSA-N 1 0 294.354 3.239 20 10 CGCDRO CCOCC[N@H+](CC)Cc1c(O)cc(C)cc1Cl ZINC000840912794 619124637 /nfs/dbraw/zinc/12/46/37/619124637.db2.gz WJLNEVLPXBLORU-UHFFFAOYSA-N 1 0 271.788 3.212 20 10 CGCDRO COC1(C[NH2+]Cc2cc(Cl)ccc2O)CCCC1 ZINC000311241857 619125076 /nfs/dbraw/zinc/12/50/76/619125076.db2.gz ZQITXIAKPBDOML-UHFFFAOYSA-N 1 0 269.772 3.094 20 10 CGCDRO Oc1ccc2ccccc2c1C[N@@H+]1CCO[C@H](C(F)F)C1 ZINC000193440303 619129049 /nfs/dbraw/zinc/12/90/49/619129049.db2.gz NIOFZYADDMQHAM-HNNXBMFYSA-N 1 0 293.313 3.011 20 10 CGCDRO CCCN(Cc1cc(F)ccc1O)c1ccc(C[NH3+])cc1 ZINC000194978077 619144782 /nfs/dbraw/zinc/14/47/82/619144782.db2.gz WNLQXPYBCXECIR-UHFFFAOYSA-N 1 0 288.366 3.407 20 10 CGCDRO COc1ccc(C[NH2+]Cc2ccsc2Cl)c(O)c1 ZINC000312881686 619156039 /nfs/dbraw/zinc/15/60/39/619156039.db2.gz UMHHRRFSLYFSLZ-UHFFFAOYSA-N 1 0 283.780 3.406 20 10 CGCDRO C[C@H]1CC[C@H](C)[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000093498552 619201390 /nfs/dbraw/zinc/20/13/90/619201390.db2.gz DKZKOQGHIPRJDK-HOTGVXAUSA-N 1 0 288.435 3.144 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCN(C)Cc2ccccc2)c1 ZINC000185111359 619222013 /nfs/dbraw/zinc/22/20/13/619222013.db2.gz WTOQGGXXXWOVDS-INIZCTEOSA-N 1 0 298.430 3.483 20 10 CGCDRO C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1cc(Cl)ccc1O ZINC000105446971 619237153 /nfs/dbraw/zinc/23/71/53/619237153.db2.gz ASNNTCLOZBGMLA-NSHDSACASA-N 1 0 291.778 3.472 20 10 CGCDRO CC(C)(C[NH2+]Cc1ccc2c(c1)CCO2)c1cccnc1 ZINC000840976882 619308602 /nfs/dbraw/zinc/30/86/02/619308602.db2.gz YUZJPMNDMLJGBM-UHFFFAOYSA-N 1 0 282.387 3.084 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)[C@@H]1CCCO1 ZINC000246387812 619310419 /nfs/dbraw/zinc/31/04/19/619310419.db2.gz KNDRXOUVPAVUGB-COXVUDFISA-N 1 0 276.424 3.361 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@@H]2CCC[C@H](SC)C2)c1O ZINC000894261081 619450754 /nfs/dbraw/zinc/45/07/54/619450754.db2.gz SQZTXXBDUAAWHU-KGLIPLIRSA-N 1 0 295.448 3.473 20 10 CGCDRO COc1ccc(C[N@H+](C)[C@@H]2CCCC[C@H]2C)c(O)c1OC ZINC000894314600 619487114 /nfs/dbraw/zinc/48/71/14/619487114.db2.gz AFQOHJSUBCPKJJ-TZMCWYRMSA-N 1 0 293.407 3.420 20 10 CGCDRO CC[C@H]([NH2+]C1CC2(C1)CO[C@H](C)C2)c1ccccc1O ZINC000895133054 619746453 /nfs/dbraw/zinc/74/64/53/619746453.db2.gz FNJVPUVLKXKRAW-RXAYYZCOSA-N 1 0 275.392 3.391 20 10 CGCDRO COc1cc(C)cc(C[NH2+]C(C)(C)[C@@H]2CCCCO2)c1O ZINC000895450081 619831830 /nfs/dbraw/zinc/83/18/30/619831830.db2.gz SKRQDJBPIROWFB-HNNXBMFYSA-N 1 0 293.407 3.147 20 10 CGCDRO CCCSC[C@@H](C)[NH2+]Cc1cc(C)ccc1O ZINC000895579898 619855681 /nfs/dbraw/zinc/85/56/81/619855681.db2.gz FAZYFAIQKNXXKT-GFCCVEGCSA-N 1 0 253.411 3.322 20 10 CGCDRO Cc1cccc(C[NH2+]C(C)(C)[C@@H](O)c2ccccc2)c1O ZINC000895659437 619865434 /nfs/dbraw/zinc/86/54/34/619865434.db2.gz XIXDIGWKABRAJP-KRWDZBQOSA-N 1 0 285.387 3.302 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CCCC[C@H](C2CCOCC2)C1 ZINC000895718172 619874794 /nfs/dbraw/zinc/87/47/94/619874794.db2.gz VFYCOBRQEIQTBM-INIZCTEOSA-N 1 0 289.419 3.421 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCc3c2cccc3F)c1 ZINC000895856345 619897990 /nfs/dbraw/zinc/89/79/90/619897990.db2.gz XMJRWWGSPLEMCX-MRXNPFEDSA-N 1 0 287.334 3.317 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2c(C)cc(CO)cc2C)c(O)c1 ZINC000896557605 620026833 /nfs/dbraw/zinc/02/68/33/620026833.db2.gz FZVGRICMPZYDAD-UHFFFAOYSA-N 1 0 285.387 3.100 20 10 CGCDRO CO[C@@H](C)C[N@H+](C)Cc1cc(C)cc(C(C)(C)C)c1O ZINC000795752111 620070093 /nfs/dbraw/zinc/07/00/93/620070093.db2.gz SLBJTMBLDIMUBE-ZDUSSCGKSA-N 1 0 279.424 3.465 20 10 CGCDRO COc1cccc(C[NH+]2CCC(F)(C3CC3)CC2)c1O ZINC000896946110 620110322 /nfs/dbraw/zinc/11/03/22/620110322.db2.gz GRNZJWCIHMQXIK-UHFFFAOYSA-N 1 0 279.355 3.115 20 10 CGCDRO CCc1cccc(C[NH2+][C@H]2CCS[C@@H](C)C2)c1O ZINC000896951334 620111932 /nfs/dbraw/zinc/11/19/32/620111932.db2.gz ICMWZXFVHYFVJE-FZMZJTMJSA-N 1 0 265.422 3.328 20 10 CGCDRO CCc1nc(C)c(C[NH2+][C@H](C)c2cc(OC)ccc2O)o1 ZINC000314720941 620186745 /nfs/dbraw/zinc/18/67/45/620186745.db2.gz JBQGDDWDBWLHRF-SNVBAGLBSA-N 1 0 290.363 3.110 20 10 CGCDRO CCSCC[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC000310922579 620331528 /nfs/dbraw/zinc/33/15/28/620331528.db2.gz JZNZPUBNLVFVCC-UHFFFAOYSA-N 1 0 266.454 3.376 20 10 CGCDRO C[C@@H](O)C[NH2+]Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000237384045 620372666 /nfs/dbraw/zinc/37/26/66/620372666.db2.gz ZXGWWSMDNRFHAI-GFCCVEGCSA-N 1 0 293.451 3.458 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CCCC3(CC3)C2)c(O)c1OC ZINC000897768852 620426241 /nfs/dbraw/zinc/42/62/41/620426241.db2.gz AYMNAOODFGOMPQ-CYBMUJFWSA-N 1 0 291.391 3.222 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]C[C@@H]2CCCC(C)(C)O2)c1 ZINC000898050534 620465475 /nfs/dbraw/zinc/46/54/75/620465475.db2.gz XWCKTVFYMCLQBN-AWEZNQCLSA-N 1 0 263.381 3.138 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@H](c2ccncc2)C2CC2)c1O ZINC000898317564 620511586 /nfs/dbraw/zinc/51/15/86/620511586.db2.gz JFYVHFULUYWETQ-KRWDZBQOSA-N 1 0 298.386 3.345 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C2([C@@H]3CCCCO3)CC2)c1 ZINC000927160700 620613001 /nfs/dbraw/zinc/61/30/01/620613001.db2.gz MRIPOEODFAGXAZ-BBRMVZONSA-N 1 0 275.392 3.453 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@H]2CCC[C@H](C)CC2)c1 ZINC000227542846 625499469 /nfs/dbraw/zinc/49/94/69/625499469.db2.gz YEMPFIBIBZITIH-JSGCOSHPSA-N 1 0 263.381 3.459 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](CO)CCc2ccccc2)c1 ZINC000903290612 621673997 /nfs/dbraw/zinc/67/39/97/621673997.db2.gz ZSESAZJOYINWHY-RDJZCZTQSA-N 1 0 299.414 3.345 20 10 CGCDRO C[C@H]([NH2+]C[C@](C)(O)c1cccc(F)c1)c1ccccc1O ZINC000903307332 621680596 /nfs/dbraw/zinc/68/05/96/621680596.db2.gz CQCJMQJABHHUIU-SJCJKPOMSA-N 1 0 289.350 3.090 20 10 CGCDRO CO[C@]1(C[NH2+][C@H](C)c2c(C)cc(C)cc2O)CCSC1 ZINC000903315457 621686188 /nfs/dbraw/zinc/68/61/88/621686188.db2.gz WFXLUOZGFNYGQN-CJNGLKHVSA-N 1 0 295.448 3.182 20 10 CGCDRO C[C@@H]([NH2+]C1CC(CCO)C1)c1cc2c(cc1O)CCCC2 ZINC000903329006 621703352 /nfs/dbraw/zinc/70/33/52/621703352.db2.gz IKVXDQWXCHQFOR-VEAWUBTESA-N 1 0 289.419 3.083 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2COC[C@H]2C)c1O ZINC000903393650 621718784 /nfs/dbraw/zinc/71/87/84/621718784.db2.gz QXTAUKYFHBDJQV-GBIKHYSHSA-N 1 0 269.772 3.040 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCOC23CCCC3)c1O ZINC000903390567 621729117 /nfs/dbraw/zinc/72/91/17/621729117.db2.gz WDAXASYHWHXQBK-SWLSCSKDSA-N 1 0 291.391 3.153 20 10 CGCDRO Cc1ncccc1CC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000903415765 621734865 /nfs/dbraw/zinc/73/48/65/621734865.db2.gz LMJNLJIZNZGFCH-HNNXBMFYSA-N 1 0 283.419 3.349 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2COC[C@H]2C2CC2)c(O)c1 ZINC000903434740 621745579 /nfs/dbraw/zinc/74/55/79/621745579.db2.gz ARKIPJYMZCLTRT-AEGPPILISA-N 1 0 275.392 3.085 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2COC[C@H]2C2CC2)cc1 ZINC000903436384 621746200 /nfs/dbraw/zinc/74/62/00/621746200.db2.gz JBQXRQCACHQJPD-DOPJRALCSA-N 1 0 288.435 3.218 20 10 CGCDRO CC[C@H]([NH2+][C@H]1COC[C@@H]1C1CC1)c1ccc(N(C)C)cc1 ZINC000903437225 621746255 /nfs/dbraw/zinc/74/62/55/621746255.db2.gz MNARORUKXCMMAB-SQNIBIBYSA-N 1 0 288.435 3.218 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1COC[C@H]1C1CC1)c1ccc(N(C)C)cc1 ZINC000903437224 621746539 /nfs/dbraw/zinc/74/65/39/621746539.db2.gz MNARORUKXCMMAB-OKZBNKHCSA-N 1 0 288.435 3.218 20 10 CGCDRO C[C@H]([NH2+][C@H]1COC[C@@H]1C1CC1)c1ccc(Cl)cc1O ZINC000903441237 621750162 /nfs/dbraw/zinc/75/01/62/621750162.db2.gz ZYFBTEJRZZFBJQ-FZZIBODNSA-N 1 0 281.783 3.121 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCSC[C@H]2C)cc1 ZINC000769428235 625568913 /nfs/dbraw/zinc/56/89/13/625568913.db2.gz NUQXAWKYLJMWAG-CQSZACIVSA-N 1 0 278.465 3.470 20 10 CGCDRO CCOc1cccc(C[N@@H+]2C[C@H](C)CC[C@@H]2C)c1O ZINC000156056158 622677399 /nfs/dbraw/zinc/67/73/99/622677399.db2.gz LJRJFDQIOGWXIY-OLZOCXBDSA-N 1 0 263.381 3.411 20 10 CGCDRO COc1ccc(C[NH2+]Cc2ccc(C)cc2OC)c(O)c1 ZINC000151015520 622720404 /nfs/dbraw/zinc/72/04/04/622720404.db2.gz KGPGXWHHTUDJMA-UHFFFAOYSA-N 1 0 287.359 3.008 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)c1 ZINC000164494244 622836641 /nfs/dbraw/zinc/83/66/41/622836641.db2.gz HRCKGJBTCMMELX-QGZVFWFLSA-N 1 0 298.386 3.057 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]C[C@@H]1CCCCS1)CC2 ZINC000311158995 622889789 /nfs/dbraw/zinc/88/97/89/622889789.db2.gz LOAMUDWMUOLLSW-QWHCGFSZSA-N 1 0 263.406 3.255 20 10 CGCDRO COCC[C@H](C)[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000157517380 622911204 /nfs/dbraw/zinc/91/12/04/622911204.db2.gz NTLUKCPSWAAYJL-INIZCTEOSA-N 1 0 290.451 3.438 20 10 CGCDRO CCc1cnc(C[NH2+]Cc2c(C)cccc2O)s1 ZINC000877071119 622934957 /nfs/dbraw/zinc/93/49/57/622934957.db2.gz DZZBRILVRSVJKY-UHFFFAOYSA-N 1 0 262.378 3.009 20 10 CGCDRO CCC[C@](C)(O)C[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC000226251887 622955358 /nfs/dbraw/zinc/95/53/58/622955358.db2.gz SZJVHVLRUZNYOP-KRWDZBQOSA-N 1 0 278.440 3.174 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CC=CCC2)c1O ZINC000228675029 623070340 /nfs/dbraw/zinc/07/03/40/623070340.db2.gz LBSJIJRUPLVDSI-GFCCVEGCSA-N 1 0 267.756 3.253 20 10 CGCDRO CC[NH2+]CCC[NH2+][C@@H](CC)c1cccc(Cl)c1[O-] ZINC000817943416 625622475 /nfs/dbraw/zinc/62/24/75/625622475.db2.gz NBCBVAMQVOITFL-ZDUSSCGKSA-N 1 0 270.804 3.086 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2CCC[C@@H](O)C2)cc1 ZINC000230668701 623258246 /nfs/dbraw/zinc/25/82/46/623258246.db2.gz XFJFPIPZTOJJIR-FUHWJXTLSA-N 1 0 290.451 3.174 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CC[C@@H](SC)C2)c1 ZINC000230664482 623261688 /nfs/dbraw/zinc/26/16/88/623261688.db2.gz MNZQRPMTAKMQBD-DMDPSCGWSA-N 1 0 281.421 3.336 20 10 CGCDRO C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(F)cc1[O-] ZINC000062745044 623264788 /nfs/dbraw/zinc/26/47/88/623264788.db2.gz KAUPCJYSMNRIQT-ZDUSSCGKSA-N 1 0 280.387 3.058 20 10 CGCDRO C[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1[O-] ZINC000062745170 623265481 /nfs/dbraw/zinc/26/54/81/623265481.db2.gz QVMHVNTYGUGBJB-AWEZNQCLSA-N 1 0 294.414 3.304 20 10 CGCDRO C[C@@H]1CCC[N@@H+]1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000173525929 623329394 /nfs/dbraw/zinc/32/93/94/623329394.db2.gz LDJQFXHGMWOZDB-LLVKDONJSA-N 1 0 263.381 3.380 20 10 CGCDRO C[C@@H]1CC[C@@H]([NH2+]Cc2cc(Br)ccc2O)C1 ZINC000232180855 623367847 /nfs/dbraw/zinc/36/78/47/623367847.db2.gz WYDGZCCAKRQPNC-BXKDBHETSA-N 1 0 284.197 3.433 20 10 CGCDRO CC[C@H]1COCC[N@@H+]1Cc1cc(C(C)C)c(C)cc1O ZINC000151900873 623582114 /nfs/dbraw/zinc/58/21/14/623582114.db2.gz NTXOPRVEDZZLIA-HNNXBMFYSA-N 1 0 277.408 3.435 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H](C2CC2)C2CCC2)c1 ZINC000324643980 624073054 /nfs/dbraw/zinc/07/30/54/624073054.db2.gz ADENMJIYYIJINJ-MRXNPFEDSA-N 1 0 261.365 3.069 20 10 CGCDRO CCC(CC)[N@H+](Cc1cc2c(cc1O)OCO2)C1CC1 ZINC000918178902 624340216 /nfs/dbraw/zinc/34/02/16/624340216.db2.gz LUMAPFDKNGKNDT-UHFFFAOYSA-N 1 0 277.364 3.274 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)cc1 ZINC000921495923 624595528 /nfs/dbraw/zinc/59/55/28/624595528.db2.gz JNJNSMXNEOVYFS-GVDBMIGSSA-N 1 0 288.435 3.047 20 10 CGCDRO CC[C@H](C)[C@H](C)[NH2+]Cc1cc(F)cc(C(C)=O)c1O ZINC000183058964 625043771 /nfs/dbraw/zinc/04/37/71/625043771.db2.gz FKFKXPCTAZEYKL-UWVGGRQHSA-N 1 0 267.344 3.258 20 10 CGCDRO CC(C)OCC[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000070975563 625047352 /nfs/dbraw/zinc/04/73/52/625047352.db2.gz WKYPUQFIOZLFKM-UHFFFAOYSA-N 1 0 289.375 3.412 20 10 CGCDRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000071206822 625065712 /nfs/dbraw/zinc/06/57/12/625065712.db2.gz ZABFLKMDNXXJRU-CJNGLKHVSA-N 1 0 258.409 3.347 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2scnc2C)c1 ZINC000071212427 625065823 /nfs/dbraw/zinc/06/58/23/625065823.db2.gz CADUXKIUVKHTBU-SECBINFHSA-N 1 0 278.377 3.017 20 10 CGCDRO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1)c1ccccc1O ZINC000183511584 625086376 /nfs/dbraw/zinc/08/63/76/625086376.db2.gz NSSFGQFQLUJMJG-CYBMUJFWSA-N 1 0 284.359 3.072 20 10 CGCDRO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000183532058 625089538 /nfs/dbraw/zinc/08/95/38/625089538.db2.gz BPDRUHBLINDDDE-NEPJUHHUSA-N 1 0 287.407 3.024 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CCCC3(CC3)C2)c1O ZINC000184866557 625279191 /nfs/dbraw/zinc/27/91/91/625279191.db2.gz FCMHCPILMVTJHI-UHFFFAOYSA-N 1 0 261.365 3.085 20 10 CGCDRO CC[C@H]1CCC[C@@H]([NH2+]Cc2cc(OC)ccc2O)C1 ZINC000085063194 625793268 /nfs/dbraw/zinc/79/32/68/625793268.db2.gz FIMKGEJIPNVVET-GXTWGEPZSA-N 1 0 263.381 3.459 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)C1CCOCC1 ZINC000921810950 625884669 /nfs/dbraw/zinc/88/46/69/625884669.db2.gz LZGUNXCSLFLWMK-KRWDZBQOSA-N 1 0 289.419 3.306 20 10 CGCDRO C[C@H]([NH2+]CCCSc1nccs1)c1nccs1 ZINC000091726500 625908174 /nfs/dbraw/zinc/90/81/74/625908174.db2.gz HVAIIBKTJXYUFT-VIFPVBQESA-N 1 0 285.463 3.433 20 10 CGCDRO c1ccc2c(c1)COC[C@@H]2[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922191558 625981748 /nfs/dbraw/zinc/98/17/48/625981748.db2.gz WNLULQCJFMEYAK-SFHVURJKSA-N 1 0 295.382 3.373 20 10 CGCDRO Oc1ccc2c(c1)[C@H]([NH2+]Cc1ccc3c(c1)CCCO3)CC2 ZINC000922247989 625990151 /nfs/dbraw/zinc/99/01/51/625990151.db2.gz GICCEDRWVYCUOR-GOSISDBHSA-N 1 0 295.382 3.494 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000922538982 626011502 /nfs/dbraw/zinc/01/15/02/626011502.db2.gz ZROFISOEPZOSNM-GFCCVEGCSA-N 1 0 286.331 3.460 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2C[C@H]2C(F)(F)F)cc1 ZINC000922735917 626039399 /nfs/dbraw/zinc/03/93/99/626039399.db2.gz WBZGETUAIOSRFH-WCQYABFASA-N 1 0 272.314 3.041 20 10 CGCDRO COC[C@@H]([NH2+][C@H](C)c1ccc(C)cc1O)C(C)C ZINC000086696193 626084738 /nfs/dbraw/zinc/08/47/38/626084738.db2.gz RDJRIRZQNULUJB-TZMCWYRMSA-N 1 0 251.370 3.022 20 10 CGCDRO CC(C)[N@H+](Cc1ccc(N(C)C)c(F)c1)C1CC1 ZINC000121333054 626213669 /nfs/dbraw/zinc/21/36/69/626213669.db2.gz AGILUCSWDBOIRZ-UHFFFAOYSA-N 1 0 250.361 3.265 20 10 CGCDRO Cc1ncc(C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)o1 ZINC000840794552 626245172 /nfs/dbraw/zinc/24/51/72/626245172.db2.gz LGTJQNZYHQCEKQ-QPUJVOFHSA-N 1 0 276.311 3.166 20 10 CGCDRO CN(C)c1ccc(C[NH+]2CC(CC(F)(F)F)C2)cc1 ZINC000839138520 626322440 /nfs/dbraw/zinc/32/24/40/626322440.db2.gz QBIVEUYBJLZHJX-UHFFFAOYSA-N 1 0 272.314 3.137 20 10 CGCDRO COc1ccc(O)c(C[NH+]2CC(C3CCCC3)C2)c1 ZINC000839142754 626323263 /nfs/dbraw/zinc/32/32/63/626323263.db2.gz LKUDQJJQWGBOQA-UHFFFAOYSA-N 1 0 261.365 3.023 20 10 CGCDRO Cc1ccc(N2CC[NH+](Cc3cccc(C)c3O)CC2)cc1 ZINC000753574225 626456076 /nfs/dbraw/zinc/45/60/76/626456076.db2.gz BBUHPWNGHJBTLC-UHFFFAOYSA-N 1 0 296.414 3.331 20 10 CGCDRO COc1cccc(O)c1C[N@H+](C)C[C@@H](C)c1nccs1 ZINC000753597233 626457924 /nfs/dbraw/zinc/45/79/24/626457924.db2.gz XPDFMNWSFNXOLI-LLVKDONJSA-N 1 0 292.404 3.093 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1C ZINC000754083810 626474947 /nfs/dbraw/zinc/47/49/47/626474947.db2.gz VHQHMALCKAWFNE-OIISXLGYSA-N 1 0 287.403 3.051 20 10 CGCDRO COc1cc(C)cc(C[N@H+](C)[C@H](C)C(C)C)c1O ZINC000754725798 626585032 /nfs/dbraw/zinc/58/50/32/626585032.db2.gz FZEMZVQDAAVUFN-GFCCVEGCSA-N 1 0 251.370 3.186 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(OC)c(C)c1)[C@@H]1CCCO1 ZINC000756044804 626672356 /nfs/dbraw/zinc/67/23/56/626672356.db2.gz IOTMAWDPLBRJAR-HOCLYGCPSA-N 1 0 263.381 3.051 20 10 CGCDRO C[C@H]1C[C@H]([NH2+]Cc2cccnc2)c2c1c(F)ccc2O ZINC000756343887 626694035 /nfs/dbraw/zinc/69/40/35/626694035.db2.gz PGRHYJOSALGUIG-GWCFXTLKSA-N 1 0 272.323 3.264 20 10 CGCDRO C[C@H](C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-])C[NH+]1CCCC1 ZINC000756421885 626704460 /nfs/dbraw/zinc/70/44/60/626704460.db2.gz JCKFUFQTLAIYRG-VXGBXAGGSA-N 1 0 298.377 3.053 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](CO)Cc2ccccc2)c1 ZINC000756461187 626707720 /nfs/dbraw/zinc/70/77/20/626707720.db2.gz WLUCLZCNAWAIRE-RDJZCZTQSA-N 1 0 299.414 3.202 20 10 CGCDRO C[C@H]1C[C@H]([NH2+]CCc2nccs2)c2c1c(F)ccc2O ZINC000756511623 626711159 /nfs/dbraw/zinc/71/11/59/626711159.db2.gz XETKCYAAGSQQNR-ONGXEEELSA-N 1 0 292.379 3.368 20 10 CGCDRO C[C@H]1C[C@H]([NH2+]CC2(O)CCCCC2)c2c1c(F)ccc2O ZINC000756513399 626711171 /nfs/dbraw/zinc/71/11/71/626711171.db2.gz IOSCKVHBHULCBS-AAEUAGOBSA-N 1 0 293.382 3.364 20 10 CGCDRO CCN(CC)C[C@H](C)[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000756535568 626713123 /nfs/dbraw/zinc/71/31/23/626713123.db2.gz RDXPSXATRODKBW-ZFWWWQNUSA-N 1 0 278.440 3.390 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CCN(CC2CC2)C1)c1cc(Cl)ccc1O ZINC000756554017 626714519 /nfs/dbraw/zinc/71/45/19/626714519.db2.gz NQDAXOFIEFSDBD-RISCZKNCSA-N 1 0 294.826 3.181 20 10 CGCDRO CC[C@H](C)[C@H](O)C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756575269 626716862 /nfs/dbraw/zinc/71/68/62/626716862.db2.gz OJNSDHKYRZLDMV-HEQLZXTPSA-N 1 0 281.371 3.076 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]CCCC(C)(C)CO)c2c1c(F)ccc2O ZINC000756606003 626719945 /nfs/dbraw/zinc/71/99/45/626719945.db2.gz KNRGDASBFMWUTO-DGCLKSJQSA-N 1 0 295.398 3.468 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)Cc2ccncc2)c1 ZINC000756634145 626722058 /nfs/dbraw/zinc/72/20/58/626722058.db2.gz LWGQUWQSOXQYDT-STQMWFEESA-N 1 0 286.375 3.078 20 10 CGCDRO C[C@H](C[C@@H]1CCOC1)[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756645717 626724249 /nfs/dbraw/zinc/72/42/49/626724249.db2.gz JJJRHHKNRZPCNL-NMKXLXIOSA-N 1 0 293.382 3.484 20 10 CGCDRO Cc1ccsc1[C@@H](CO)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000756735581 626728803 /nfs/dbraw/zinc/72/88/03/626728803.db2.gz FRVUCLQDODGFHR-GXFFZTMASA-N 1 0 295.379 3.285 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ncccc2F)c(O)c1C ZINC000756767968 626729673 /nfs/dbraw/zinc/72/96/73/626729673.db2.gz HLHRJBGCMCZNBC-GFCCVEGCSA-N 1 0 274.339 3.394 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H](CO)CC(C)(C)C)c(O)c1C ZINC000756763017 626730224 /nfs/dbraw/zinc/73/02/24/626730224.db2.gz WREMIHAIVPWKEJ-KGLIPLIRSA-N 1 0 279.424 3.457 20 10 CGCDRO C[C@@H]([NH2+][C@H](CO)CC1CC1)c1cc2c(cc1O)CCCC2 ZINC000756770161 626730521 /nfs/dbraw/zinc/73/05/21/626730521.db2.gz UHXTYKKSZBJYRA-WBMJQRKESA-N 1 0 289.419 3.083 20 10 CGCDRO COC1(C[C@@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)CCC1 ZINC000759989185 626934465 /nfs/dbraw/zinc/93/44/65/626934465.db2.gz QNVIFQUOZQSPBG-CYBMUJFWSA-N 1 0 294.414 3.329 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@](C)(CC)CCO)cc1F ZINC000761978961 627077167 /nfs/dbraw/zinc/07/71/67/627077167.db2.gz FHZNYJOBNLYXDJ-QGZVFWFLSA-N 1 0 296.430 3.313 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CC2(CCC2)C[C@H]1C ZINC000763650184 627171996 /nfs/dbraw/zinc/17/19/96/627171996.db2.gz YHWXNGSPIARHBZ-GFCCVEGCSA-N 1 0 261.365 3.165 20 10 CGCDRO CCC1(CC)[C@H]([NH2+]Cc2cc(C)ccc2O)C[C@@H]1OC ZINC000765262521 627244194 /nfs/dbraw/zinc/24/41/94/627244194.db2.gz QKXRUNDSPKCTOJ-CVEARBPZSA-N 1 0 277.408 3.384 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)Cc1cnccn1)c1ccc(N(C)C)cc1 ZINC000765439811 627249379 /nfs/dbraw/zinc/24/93/79/627249379.db2.gz LWCGZCAOFUQKJL-KDOFPFPSSA-N 1 0 298.434 3.215 20 10 CGCDRO CCCC[C@H](COC)[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000765478091 627252878 /nfs/dbraw/zinc/25/28/78/627252878.db2.gz BHCCJDCFWWPFAS-QGZVFWFLSA-N 1 0 290.451 3.364 20 10 CGCDRO CC(C)O[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C1(C)C ZINC000765814212 627273175 /nfs/dbraw/zinc/27/31/75/627273175.db2.gz WINZAQQQRLGCSS-DLBZAZTESA-N 1 0 289.419 3.303 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CCCC2CCOCC2)cc1 ZINC000765929957 627279152 /nfs/dbraw/zinc/27/91/52/627279152.db2.gz YALWKYVELXEATK-UHFFFAOYSA-N 1 0 276.424 3.049 20 10 CGCDRO CC(C)[N@H+](CCCF)Cc1ccc(N(C)C)cc1 ZINC000766023058 627288099 /nfs/dbraw/zinc/28/80/99/627288099.db2.gz TVMSGVWBERPUSI-UHFFFAOYSA-N 1 0 252.377 3.323 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000766030701 627289264 /nfs/dbraw/zinc/28/92/64/627289264.db2.gz WMSKLCLSGRDDNY-MRXNPFEDSA-N 1 0 290.451 3.497 20 10 CGCDRO CC[C@H]([NH2+]Cc1cc(C)n[nH]1)c1ccc(N(C)C)cc1 ZINC000766085520 627293748 /nfs/dbraw/zinc/29/37/48/627293748.db2.gz UMTWATVIUCNKIC-INIZCTEOSA-N 1 0 272.396 3.025 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000767927350 627444272 /nfs/dbraw/zinc/44/42/72/627444272.db2.gz KFMMRDDPDOREAK-ZDUSSCGKSA-N 1 0 281.783 3.237 20 10 CGCDRO CC[C@@]1(C)CC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000768463711 627481517 /nfs/dbraw/zinc/48/15/17/627481517.db2.gz LNNNEWXQKWULEU-INIZCTEOSA-N 1 0 279.380 3.031 20 10 CGCDRO CC(C)O[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2O)C1(C)C ZINC000768524871 627483909 /nfs/dbraw/zinc/48/39/09/627483909.db2.gz RASHZFMMIXQNJP-CABCVRRESA-N 1 0 281.371 3.213 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCc3ccc(O)cc3CC2)c1 ZINC000769191592 627530543 /nfs/dbraw/zinc/53/05/43/627530543.db2.gz BCKYRIOXIXXWPD-UHFFFAOYSA-N 1 0 283.371 3.007 20 10 CGCDRO CN(C)c1ccc(C[N@H+](CCCO)CC(C)(C)C)cc1F ZINC000769342315 627544290 /nfs/dbraw/zinc/54/42/90/627544290.db2.gz KKFBTMGQOZNQMO-UHFFFAOYSA-N 1 0 296.430 3.122 20 10 CGCDRO Oc1ccc2ccncc2c1C[N@@H+]1CCCC2(CC2)C1 ZINC000769793710 627578290 /nfs/dbraw/zinc/57/82/90/627578290.db2.gz PQSSXMMXGHBVKJ-UHFFFAOYSA-N 1 0 268.360 3.316 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]C2(c3ccc4c(c3)OCO4)CC2)c1 ZINC000769934723 627591107 /nfs/dbraw/zinc/59/11/07/627591107.db2.gz VKMIRCIDZRLTKC-UHFFFAOYSA-N 1 0 297.354 3.208 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](CO)c2ccsc2)c1 ZINC000769989789 627595593 /nfs/dbraw/zinc/59/55/93/627595593.db2.gz QIVCJBPVEUSATN-FZMZJTMJSA-N 1 0 277.389 3.146 20 10 CGCDRO CC[C@H]1CC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000770304953 627612667 /nfs/dbraw/zinc/61/26/67/627612667.db2.gz NQNCYAHSNQSDBL-LBPRGKRZSA-N 1 0 250.361 3.124 20 10 CGCDRO CCc1ccc(N2CC[NH+](Cc3ccccc3O)CC2)cc1 ZINC000770505318 627623629 /nfs/dbraw/zinc/62/36/29/627623629.db2.gz OULZUYHIJVFEEQ-UHFFFAOYSA-N 1 0 296.414 3.277 20 10 CGCDRO Oc1cccc(Cl)c1C[N@@H+]1CCCC2(CC2)C1 ZINC000770678043 627636754 /nfs/dbraw/zinc/63/67/54/627636754.db2.gz XRDNKJWSYBBXRZ-UHFFFAOYSA-N 1 0 251.757 3.422 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CC[C@H](O)CC2)cc1 ZINC000773102369 627856480 /nfs/dbraw/zinc/85/64/80/627856480.db2.gz MCFVYOACUNLZLK-QRTARXTBSA-N 1 0 276.424 3.097 20 10 CGCDRO CCN(C)c1ccc(C[N@H+](C)Cc2cccc(C)n2)cc1 ZINC000773774249 627914772 /nfs/dbraw/zinc/91/47/72/627914772.db2.gz SIWPOXWRTOMHEQ-UHFFFAOYSA-N 1 0 283.419 3.478 20 10 CGCDRO CCN(C)c1ccc(C[NH2+][C@H](C)C2CCOCC2)cc1 ZINC000773812082 627917129 /nfs/dbraw/zinc/91/71/29/627917129.db2.gz OZGAVPIQHAUUTG-CQSZACIVSA-N 1 0 276.424 3.047 20 10 CGCDRO C[C@@H]([NH2+]CCN1CCCC(C)(C)C1)c1ccccc1O ZINC000774487876 627997651 /nfs/dbraw/zinc/99/76/51/627997651.db2.gz OACCOUNEIBMLLU-CQSZACIVSA-N 1 0 276.424 3.165 20 10 CGCDRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000775370234 628086915 /nfs/dbraw/zinc/08/69/15/628086915.db2.gz MIQDRJKYNGCEAA-ROUUACIJSA-N 1 0 290.451 3.436 20 10 CGCDRO CC[C@H]([NH2+]CCN(CC)CC)c1cc(Cl)ccc1O ZINC000775483240 628098768 /nfs/dbraw/zinc/09/87/68/628098768.db2.gz QLLHQDKKZZVVRW-AWEZNQCLSA-N 1 0 284.831 3.428 20 10 CGCDRO CC[C@H]([NH2+]C[C@H](C)COC)c1cc(Cl)ccc1O ZINC000775487710 628099628 /nfs/dbraw/zinc/09/96/28/628099628.db2.gz CTYMWSYHEPODLV-GWCFXTLKSA-N 1 0 271.788 3.369 20 10 CGCDRO CC[C@H]([NH2+]CCCn1cccn1)c1cc(Cl)ccc1O ZINC000775486112 628099816 /nfs/dbraw/zinc/09/98/16/628099816.db2.gz AQYJKTKLFPIKFB-AWEZNQCLSA-N 1 0 293.798 3.373 20 10 CGCDRO CCOCC[NH2+][C@@H](CC)c1cc(Cl)ccc1O ZINC000775489633 628100473 /nfs/dbraw/zinc/10/04/73/628100473.db2.gz WDEGFDBYYMQPAL-LBPRGKRZSA-N 1 0 257.761 3.123 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H]1CCOC1)c1cc(Cl)ccc1O ZINC000775489759 628100594 /nfs/dbraw/zinc/10/05/94/628100594.db2.gz RUYUSUHKCJGPJO-GXFFZTMASA-N 1 0 269.772 3.123 20 10 CGCDRO CC[C@@H]([NH2+]CC[C@@H](O)CC)c1cc(Cl)ccc1O ZINC000775513981 628102574 /nfs/dbraw/zinc/10/25/74/628102574.db2.gz PTTFPOZYOBIUOV-WCQYABFASA-N 1 0 271.788 3.247 20 10 CGCDRO CC[C@@H]([NH2+]Cc1c[nH]nc1C)c1cc(Cl)ccc1O ZINC000775527926 628104041 /nfs/dbraw/zinc/10/40/41/628104041.db2.gz WIHKYLGAQBTNDT-CYBMUJFWSA-N 1 0 279.771 3.318 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](CO)c1cccc(F)c1)c1ccccc1O ZINC000775526090 628104156 /nfs/dbraw/zinc/10/41/56/628104156.db2.gz ZXHJTCXKNFNFJO-CVEARBPZSA-N 1 0 289.350 3.306 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](C)C(C)(C)O)c1cc(Cl)ccc1O ZINC000775533779 628104332 /nfs/dbraw/zinc/10/43/32/628104332.db2.gz PJFGMRCQWHHMFR-JOYOIKCWSA-N 1 0 271.788 3.246 20 10 CGCDRO CC[NH+](CC)[C@@H]1CCN(Cc2cc(Cl)cc(C)c2O)C1 ZINC000775647882 628119058 /nfs/dbraw/zinc/11/90/58/628119058.db2.gz GGDPIGFLFQADFM-OAHLLOKOSA-N 1 0 296.842 3.270 20 10 CGCDRO CC[N@H+](CCc1ccccn1)Cc1cccc(C)c1O ZINC000775661516 628121935 /nfs/dbraw/zinc/12/19/35/628121935.db2.gz PKCZMSJJQUUUQU-UHFFFAOYSA-N 1 0 270.376 3.160 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCc3c(F)cccc3C2)c1O ZINC000775690332 628126343 /nfs/dbraw/zinc/12/63/43/628126343.db2.gz QTLPIJCWKUKQBZ-UHFFFAOYSA-N 1 0 271.335 3.398 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](C)[C@@H]2CC)c1 ZINC000776000494 628156990 /nfs/dbraw/zinc/15/69/90/628156990.db2.gz LKRTVXRCXWCOLI-DOMZBBRYSA-N 1 0 263.381 3.411 20 10 CGCDRO COc1ccc(O)c(C[NH2+]Cc2c(C)cccc2F)c1 ZINC000776219271 628181272 /nfs/dbraw/zinc/18/12/72/628181272.db2.gz DJUBGKYBFOSNSY-UHFFFAOYSA-N 1 0 275.323 3.138 20 10 CGCDRO CC1(C)[C@@H](O)C[C@@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000778193109 628333134 /nfs/dbraw/zinc/33/31/34/628333134.db2.gz PWOJWWDOWMZSSE-ROUUACIJSA-N 1 0 297.398 3.308 20 10 CGCDRO CC(C)(C)[C@@H]1CC[N@H+](Cc2c(O)cccc2Cl)C[C@H]1O ZINC000779432256 628413314 /nfs/dbraw/zinc/41/33/14/628413314.db2.gz QDERGUVXKVBSGT-IUODEOHRSA-N 1 0 297.826 3.275 20 10 CGCDRO CC[C@H]1C[C@@H](C[N@H+](C)Cc2ccccc2O)CCO1 ZINC000780756085 628514443 /nfs/dbraw/zinc/51/44/43/628514443.db2.gz BHEXRVNCFNTFKZ-ZFWWWQNUSA-N 1 0 263.381 3.029 20 10 CGCDRO CC[C@H]1C[C@H](C[N@H+](C)Cc2ccc(N(C)C)cc2)CCO1 ZINC000780755456 628514550 /nfs/dbraw/zinc/51/45/50/628514550.db2.gz VJNIEXAUAFHHHX-AEFFLSMTSA-N 1 0 290.451 3.390 20 10 CGCDRO CCSCCC[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000782155700 628618740 /nfs/dbraw/zinc/61/87/40/628618740.db2.gz UGUVMIDXMCZIGR-UHFFFAOYSA-N 1 0 270.417 3.125 20 10 CGCDRO Cc1ccccc1[C@@H](CO)[NH2+][C@@H](C)c1ccccc1O ZINC000783519125 628720953 /nfs/dbraw/zinc/72/09/53/628720953.db2.gz VZFNGTXGSIACHZ-XJKSGUPXSA-N 1 0 271.360 3.085 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)CCCC3)[C@@H](C)[C@@H](C)O1 ZINC000783537713 628722913 /nfs/dbraw/zinc/72/29/13/628722913.db2.gz BZUZGKUUEIKAGT-HZSPNIEDSA-N 1 0 289.419 3.269 20 10 CGCDRO CO[C@@H]1C[N@H+](Cc2cc3c(cc2O)CCCC3)CC[C@H]1C ZINC000783969069 628760992 /nfs/dbraw/zinc/76/09/92/628760992.db2.gz RVHUGVLIFCMBBJ-FZKQIMNGSA-N 1 0 289.419 3.128 20 10 CGCDRO COCC[C@@H](Cc1ccco1)[NH2+]Cc1cc(C)ccc1O ZINC000784625754 628825537 /nfs/dbraw/zinc/82/55/37/628825537.db2.gz NNPUUDWEJLPVDJ-HNNXBMFYSA-N 1 0 289.375 3.031 20 10 CGCDRO Oc1ccccc1C[NH2+]Cc1scnc1C1CC1 ZINC000785444988 628862775 /nfs/dbraw/zinc/86/27/75/628862775.db2.gz ADQFBAFOPBEUFP-UHFFFAOYSA-N 1 0 260.362 3.016 20 10 CGCDRO CCC1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000125326436 634684087 /nfs/dbraw/zinc/68/40/87/634684087.db2.gz RAWNOLQNIWRRGW-UHFFFAOYSA-N 1 0 288.435 3.145 20 10 CGCDRO Cc1ccccc1[C@H]([C@@H](C)[NH2+]Cc1ccccc1O)N(C)C ZINC000785561617 628870904 /nfs/dbraw/zinc/87/09/04/628870904.db2.gz ZSXBARKGDZFWFM-BEFAXECRSA-N 1 0 298.430 3.482 20 10 CGCDRO COc1cc(O)c(C[NH2+][C@@H]2CCCC(C)(C)C2)cc1OC ZINC000785985633 628905674 /nfs/dbraw/zinc/90/56/74/628905674.db2.gz PDUWPEZJOOLHKR-CYBMUJFWSA-N 1 0 293.407 3.468 20 10 CGCDRO CC(C)[N@@H+]1CCCC[C@@H]1CN(C)Cc1ccccc1O ZINC000787729486 629026110 /nfs/dbraw/zinc/02/61/10/629026110.db2.gz ICOLPFUNZGJNAU-MRXNPFEDSA-N 1 0 276.424 3.087 20 10 CGCDRO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000788269388 629044177 /nfs/dbraw/zinc/04/41/77/629044177.db2.gz MACHPQVMLMQHJR-SUMWQHHRSA-N 1 0 283.371 3.014 20 10 CGCDRO C[C@@H]1CC[C@H](C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)O1 ZINC000789310338 629122837 /nfs/dbraw/zinc/12/28/37/629122837.db2.gz QQANSLVRCLYVTH-RDTXWAMCSA-N 1 0 288.435 3.285 20 10 CGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H]1[C@H]1CCCO1)CCC2 ZINC000789510663 629141478 /nfs/dbraw/zinc/14/14/78/629141478.db2.gz BVZHEBBTPLWQNC-FUHWJXTLSA-N 1 0 287.403 3.024 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCO[C@@H](C(C)(C)C)C2)c1 ZINC000790410162 629209677 /nfs/dbraw/zinc/20/96/77/629209677.db2.gz AKXFMELTNUUAKU-OAHLLOKOSA-N 1 0 277.408 3.256 20 10 CGCDRO C[C@H]1CCSCC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000792197194 629348618 /nfs/dbraw/zinc/34/86/18/629348618.db2.gz PMLDGUAHGSBBGN-LBPRGKRZSA-N 1 0 282.428 3.219 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@@H]2Cc3ccccc3CO2)c1O ZINC000862436201 629371481 /nfs/dbraw/zinc/37/14/81/629371481.db2.gz ZWKUSQYPKKRWBO-SFHVURJKSA-N 1 0 297.398 3.186 20 10 CGCDRO Cc1cccc(C[NH+]2C[C@@H](C)C(F)(F)[C@H](C)C2)c1O ZINC000862442331 629374112 /nfs/dbraw/zinc/37/41/12/629374112.db2.gz HRIKIMKGAFWUID-VXGBXAGGSA-N 1 0 269.335 3.424 20 10 CGCDRO C[C@@H]1C[N@@H+](Cc2ccccc2O)C[C@H](C)C1(F)F ZINC000862444088 629376890 /nfs/dbraw/zinc/37/68/90/629376890.db2.gz SXLYJJDHLGOUES-PHIMTYICSA-N 1 0 255.308 3.115 20 10 CGCDRO CSCC[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792889488 629391824 /nfs/dbraw/zinc/39/18/24/629391824.db2.gz GNHVZQRHJKTQDE-UHFFFAOYSA-N 1 0 292.370 3.224 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]C[C@H]2CC[C@@H](C)C2)c1 ZINC000793346841 629445629 /nfs/dbraw/zinc/44/56/29/629445629.db2.gz NCGBXPTUGWCLOL-OLZOCXBDSA-N 1 0 263.381 3.317 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCN(C)[C@H](C)C1)c1ccc(C)cc1O ZINC000794802848 629579486 /nfs/dbraw/zinc/57/94/86/629579486.db2.gz OYANOLJYVWUYCM-YCPHGPKFSA-N 1 0 276.424 3.224 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](C)C(=O)NC(C)(C)C)c1ccc(C)cc1O ZINC000794803289 629579626 /nfs/dbraw/zinc/57/96/26/629579626.db2.gz IAKLIWYOPIXEHN-GXTWGEPZSA-N 1 0 292.423 3.045 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H](OC)C(F)(F)F)c1ccc(C)cc1O ZINC000794815432 629581112 /nfs/dbraw/zinc/58/11/12/629581112.db2.gz UVOSFFBJCDHPTJ-YPMHNXCESA-N 1 0 291.313 3.319 20 10 CGCDRO CC[C@H]([NH2+]C[C@H]1CCC=CO1)c1ccc(C)cc1O ZINC000794817720 629581454 /nfs/dbraw/zinc/58/14/54/629581454.db2.gz VGCLKNFLRLNTJH-HIFRSBDPSA-N 1 0 261.365 3.434 20 10 CGCDRO CC[C@H]([NH2+]CCc1ccc(CO)cc1)c1ccc(C)cc1O ZINC000794819233 629582553 /nfs/dbraw/zinc/58/25/53/629582553.db2.gz YRNWOQKGJVQYJN-SFHVURJKSA-N 1 0 299.414 3.476 20 10 CGCDRO C[C@H]1C[C@@H]([NH2+]Cc2cccnc2F)c2c1c(F)ccc2O ZINC000794832107 629584113 /nfs/dbraw/zinc/58/41/13/629584113.db2.gz CEVDEBUGIKJJKZ-JOYOIKCWSA-N 1 0 290.313 3.404 20 10 CGCDRO C[C@@H](O)C[C@H]1CCCCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000796384161 629774391 /nfs/dbraw/zinc/77/43/91/629774391.db2.gz MFTUCEVJPLDEOL-CRAIPNDOSA-N 1 0 290.451 3.268 20 10 CGCDRO Cc1ccc([C@H](O)[C@H](C)[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000796480482 629788602 /nfs/dbraw/zinc/78/86/02/629788602.db2.gz MDLGPFSOTUBDPF-IFXJQAMLSA-N 1 0 297.398 3.142 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]CC1(C(F)(F)F)CC1 ZINC000796491994 629790050 /nfs/dbraw/zinc/79/00/50/629790050.db2.gz XISGUKSLVYAELR-UHFFFAOYSA-N 1 0 279.689 3.478 20 10 CGCDRO CC[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(F)cc1[O-] ZINC000796675978 629813439 /nfs/dbraw/zinc/81/34/39/629813439.db2.gz ONKGRGXWRLDYFJ-OAHLLOKOSA-N 1 0 280.387 3.058 20 10 CGCDRO COc1cc(C[N@H+]2CC(C)=C[C@@H](C)C2)c(O)cc1C ZINC000797417931 629944477 /nfs/dbraw/zinc/94/44/77/629944477.db2.gz UPRACURVUQBTJZ-LLVKDONJSA-N 1 0 261.365 3.107 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CC[C@H]2C2CC2)cc1F ZINC000797906109 630000532 /nfs/dbraw/zinc/00/05/32/630000532.db2.gz WITOKAFZOBGRHF-DZGCQCFKSA-N 1 0 262.372 3.170 20 10 CGCDRO Cc1[nH+]ccc(N(C)Cc2ccccc2O)c1Cl ZINC000798396362 630053433 /nfs/dbraw/zinc/05/34/33/630053433.db2.gz RHAJMXDCKXLAMK-UHFFFAOYSA-N 1 0 262.740 3.385 20 10 CGCDRO COc1cc2c(cc1F)CC[C@H]2[NH2+]Cc1ccccc1O ZINC000798926203 630125783 /nfs/dbraw/zinc/12/57/83/630125783.db2.gz HYFJJQBOHKCRTI-OAHLLOKOSA-N 1 0 287.334 3.317 20 10 CGCDRO CC[C@H]1C[N@H+](Cc2cc(C)cc(C)c2O)CCCO1 ZINC000799161751 630150800 /nfs/dbraw/zinc/15/08/00/630150800.db2.gz CYOGNDQFJTVTFA-HNNXBMFYSA-N 1 0 263.381 3.010 20 10 CGCDRO CC[C@H]1C[N@H+](Cc2cc3c(cc2O)CCCC3)CCCO1 ZINC000799161552 630150828 /nfs/dbraw/zinc/15/08/28/630150828.db2.gz ASVWOXKZXJZMTO-KRWDZBQOSA-N 1 0 289.419 3.272 20 10 CGCDRO CCn1nc(C[NH2+]Cc2ccccc2O)c2ccccc21 ZINC000125788510 634792317 /nfs/dbraw/zinc/79/23/17/634792317.db2.gz SNBWTHJIZUQOCC-UHFFFAOYSA-N 1 0 281.359 3.052 20 10 CGCDRO C[C@H]([NH2+][C@H](CCO)Cc1ccccc1)c1ccccc1O ZINC000799732234 630227658 /nfs/dbraw/zinc/22/76/58/630227658.db2.gz WTWSJBJNHMUCQP-GOEBONIOSA-N 1 0 285.387 3.037 20 10 CGCDRO COc1cccc(O)c1C[NH2+]CC1CCC(F)(F)CC1 ZINC000800293751 630262134 /nfs/dbraw/zinc/26/21/34/630262134.db2.gz JTHFMGPBWOMJES-UHFFFAOYSA-N 1 0 285.334 3.316 20 10 CGCDRO CCCN(CCC)c1ccc(C[NH2+][C@H]2C[C@@H](CO)C2)cc1 ZINC000865665897 630286986 /nfs/dbraw/zinc/28/69/86/630286986.db2.gz YPYUFYGIOAKSTE-CALCHBBNSA-N 1 0 290.451 3.174 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CC2CCOCC2)c1O ZINC000808688869 630295039 /nfs/dbraw/zinc/29/50/39/630295039.db2.gz WBZILWUKJBMYIO-NSHDSACASA-N 1 0 283.799 3.431 20 10 CGCDRO Cc1cccc(C[NH2+][C@H]2CCc3ccccc3OC2)c1O ZINC000802655357 630403318 /nfs/dbraw/zinc/40/33/18/630403318.db2.gz VMPULRJPKTWTRL-INIZCTEOSA-N 1 0 283.371 3.184 20 10 CGCDRO CCCCN(C)C[C@H](C)[NH2+]Cc1cc(C)c(C)cc1O ZINC000808454197 630646984 /nfs/dbraw/zinc/64/69/84/630646984.db2.gz GQZDEWKISWNOQF-HNNXBMFYSA-N 1 0 278.440 3.219 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C2CCN(C)CC2)c1O ZINC000808673113 630662988 /nfs/dbraw/zinc/66/29/88/630662988.db2.gz XSOPMCVBGQCNQE-NSHDSACASA-N 1 0 282.815 3.099 20 10 CGCDRO CCN1CCC([NH2+][C@H](C)c2cc(Cl)cc(C)c2O)CC1 ZINC000808673081 630663314 /nfs/dbraw/zinc/66/33/14/630663314.db2.gz WTLPRGLSHHQPNM-GFCCVEGCSA-N 1 0 296.842 3.489 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCN2CCC[C@H]2C)c1O ZINC000808698788 630666667 /nfs/dbraw/zinc/66/66/67/630666667.db2.gz VMLLHKFVVCFWSF-CHWSQXEVSA-N 1 0 296.842 3.489 20 10 CGCDRO CCn1cc(C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)cn1 ZINC000808707156 630667482 /nfs/dbraw/zinc/66/74/82/630667482.db2.gz FPBXIZJSGGPDGC-NSHDSACASA-N 1 0 293.798 3.421 20 10 CGCDRO COC[C@@H]([NH2+][C@H](C)c1cc(Cl)cc(C)c1O)C1CC1 ZINC000808707885 630667874 /nfs/dbraw/zinc/66/78/74/630667874.db2.gz BPTYAYUGVGQJAN-QMTHXVAHSA-N 1 0 283.799 3.430 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](CO)CC(F)F)c1O ZINC000808715496 630669854 /nfs/dbraw/zinc/66/98/54/630669854.db2.gz GXZNSXOGTBQFKU-PSASIEDQSA-N 1 0 293.741 3.021 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C2COC(C)(C)OC2)c1O ZINC000808715810 630669862 /nfs/dbraw/zinc/66/98/62/630669862.db2.gz XICHDCHYYNDLQE-SNVBAGLBSA-N 1 0 299.798 3.156 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](C3CC3)C2)cc1 ZINC000808776437 630677493 /nfs/dbraw/zinc/67/74/93/630677493.db2.gz HDWZVBKSBXAFOS-INIZCTEOSA-N 1 0 258.409 3.375 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCOc3ccc(C)cc3C2)c1 ZINC000809704150 630787157 /nfs/dbraw/zinc/78/71/57/630787157.db2.gz WESFLWVNXLUTHZ-UHFFFAOYSA-N 1 0 283.371 3.404 20 10 CGCDRO CCCC[N@H+](CCCO)Cc1cc(Cl)ccc1O ZINC000809751819 630800631 /nfs/dbraw/zinc/80/06/31/630800631.db2.gz KJDLNRDWPUCFDE-UHFFFAOYSA-N 1 0 271.788 3.030 20 10 CGCDRO CCOc1ccc(O)c(C[N@H+](Cc2ccccn2)C2CC2)c1 ZINC000809764624 630802087 /nfs/dbraw/zinc/80/20/87/630802087.db2.gz XWVGOANUZVSLEN-UHFFFAOYSA-N 1 0 298.386 3.351 20 10 CGCDRO CC[C@H](c1ccncc1)[N@H+](C)Cc1cc(OC)ccc1O ZINC000809765583 630802771 /nfs/dbraw/zinc/80/27/71/630802771.db2.gz OYAKSNKUTVKRRV-MRXNPFEDSA-N 1 0 286.375 3.379 20 10 CGCDRO CCC(CC)[N@H+](CC)Cc1cc(OC)ccc1O ZINC000809787367 630808972 /nfs/dbraw/zinc/80/89/72/630808972.db2.gz ALOTTWCUJLOYFS-UHFFFAOYSA-N 1 0 251.370 3.411 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CCCc3occc3C2)c(O)c1 ZINC000809792049 630811850 /nfs/dbraw/zinc/81/18/50/630811850.db2.gz GBXIVXWGHLAQCB-UHFFFAOYSA-N 1 0 287.359 3.332 20 10 CGCDRO CC[C@@]1(C[NH2+]Cc2ccccc2O)OCCc2ccccc21 ZINC000810159638 630848591 /nfs/dbraw/zinc/84/85/91/630848591.db2.gz CQWYTUIOFFEYOO-IBGZPJMESA-N 1 0 297.398 3.360 20 10 CGCDRO CCCN(CC)C[C@H](C)[NH2+]Cc1cc(Cl)ccc1O ZINC000810181193 630850891 /nfs/dbraw/zinc/85/08/91/630850891.db2.gz WNWQLPDANFSYPK-LBPRGKRZSA-N 1 0 284.831 3.256 20 10 CGCDRO CC[C@@H]([NH2+][C@H](C)COC)c1ccc(C(F)(F)F)cc1O ZINC000810208148 630853889 /nfs/dbraw/zinc/85/38/89/630853889.db2.gz SKZCFOJTIJSJGI-BXKDBHETSA-N 1 0 291.313 3.487 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)CCO)c1ccc(C(F)(F)F)cc1O ZINC000810219578 630855695 /nfs/dbraw/zinc/85/56/95/630855695.db2.gz TYQBHNISCDUXLQ-CABZTGNLSA-N 1 0 291.313 3.223 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CC(C)(C)[C@H]2C2CC2)c1 ZINC000811513787 631082166 /nfs/dbraw/zinc/08/21/66/631082166.db2.gz QACRIGWONUQOBI-MRXNPFEDSA-N 1 0 275.392 3.411 20 10 CGCDRO CC(C)[N@H+](Cc1cc2c(cc1O)CCCC2)[C@@H]1CCOC1 ZINC000812291186 631235898 /nfs/dbraw/zinc/23/58/98/631235898.db2.gz NSDYSCZKHRMSST-QGZVFWFLSA-N 1 0 289.419 3.270 20 10 CGCDRO CCC[C@@H](C)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000813330968 631410292 /nfs/dbraw/zinc/41/02/92/631410292.db2.gz KKJIDCYEOKOCCL-NEPJUHHUSA-N 1 0 251.370 3.488 20 10 CGCDRO CC(C)[C@H]([NH2+]Cc1cc(Cl)ccc1O)C1(CO)CCC1 ZINC000814169633 631536919 /nfs/dbraw/zinc/53/69/19/631536919.db2.gz LEQQOWAGURIJNI-HNNXBMFYSA-N 1 0 297.826 3.322 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000814178431 631540631 /nfs/dbraw/zinc/54/06/31/631540631.db2.gz POGWAZOEPWYKGB-AWEZNQCLSA-N 1 0 295.810 3.294 20 10 CGCDRO Cc1cc(C[NH2+]C2(CCO)CCCCC2)ccc1N(C)C ZINC000815073463 631711565 /nfs/dbraw/zinc/71/15/65/631711565.db2.gz OASLYULEYPAIJZ-UHFFFAOYSA-N 1 0 290.451 3.236 20 10 CGCDRO Cc1cc(C[N@H+]2CC[C@H](C)[C@@H](F)C2)ccc1N(C)C ZINC000815087978 631713648 /nfs/dbraw/zinc/71/36/48/631713648.db2.gz WVIGLMHCIWBZAR-WFASDCNBSA-N 1 0 264.388 3.241 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)c(C)c1)[C@@H]1CCCO1 ZINC000815089011 631714084 /nfs/dbraw/zinc/71/40/84/631714084.db2.gz NDDUZNMKFKESTE-RDJZCZTQSA-N 1 0 276.424 3.108 20 10 CGCDRO Cc1cc(C[N@H+]2CCCC[C@@H]2C[C@@H](C)O)ccc1N(C)C ZINC000815103410 631717374 /nfs/dbraw/zinc/71/73/74/631717374.db2.gz PXGONUWHFJPSFV-NVXWUHKLSA-N 1 0 290.451 3.186 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)cc1 ZINC000815113559 631720215 /nfs/dbraw/zinc/72/02/15/631720215.db2.gz GXIAKOBHXSLFRL-QZTJIDSGSA-N 1 0 288.435 3.286 20 10 CGCDRO Cc1cc(C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)ccc1N(C)C ZINC000815113409 631720465 /nfs/dbraw/zinc/72/04/65/631720465.db2.gz ALHKFBZJAXQUHV-ZWKOTPCHSA-N 1 0 288.435 3.204 20 10 CGCDRO COc1ccc(O)c(C[NH2+]Cc2cccc(O)c2Cl)c1 ZINC000815127042 631723967 /nfs/dbraw/zinc/72/39/67/631723967.db2.gz WCRNIIMXWGGVTD-UHFFFAOYSA-N 1 0 293.750 3.050 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCOC2(C)C)cc1F ZINC000815578246 631798793 /nfs/dbraw/zinc/79/87/93/631798793.db2.gz KJCKKOXSTLDOJN-INIZCTEOSA-N 1 0 294.414 3.329 20 10 CGCDRO CCC(CC)[C@@H](O)C[NH2+]Cc1ccc2ccccc2c1O ZINC000816551910 632008942 /nfs/dbraw/zinc/00/89/42/632008942.db2.gz UJCSUFBEKQZDMA-KRWDZBQOSA-N 1 0 287.403 3.432 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000816621960 632027017 /nfs/dbraw/zinc/02/70/17/632027017.db2.gz SYKIHAWKTPYNPS-QGZVFWFLSA-N 1 0 298.386 3.379 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CCCO[C@H](C(C)C)C2)c(O)c1 ZINC000816674957 632041364 /nfs/dbraw/zinc/04/13/64/632041364.db2.gz PGRGYEWUUHERSD-KRWDZBQOSA-N 1 0 293.407 3.038 20 10 CGCDRO Cc1cc(C[NH2+]Cc2ccc(N(C)C)cc2C)cc(C)n1 ZINC000817411394 632142102 /nfs/dbraw/zinc/14/21/02/632142102.db2.gz QZGFCQAIVBTDKV-UHFFFAOYSA-N 1 0 283.419 3.363 20 10 CGCDRO C[C@H]([NH2+]CCCC1(O)CCC1)c1cc(Cl)ccc1O ZINC000817587600 632193246 /nfs/dbraw/zinc/19/32/46/632193246.db2.gz ZGXZFBSCPALDLF-NSHDSACASA-N 1 0 283.799 3.391 20 10 CGCDRO C[C@H](NC[C@@H]1CCCC[NH2+]1)c1ccc2ccccc2c1O ZINC000817948811 632245272 /nfs/dbraw/zinc/24/52/72/632245272.db2.gz DLKZSGJSONAKGM-ZFWWWQNUSA-N 1 0 284.403 3.338 20 10 CGCDRO CC[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cccc(Cl)c1[O-] ZINC000817955529 632250213 /nfs/dbraw/zinc/25/02/13/632250213.db2.gz YAOBULPFVBWFMZ-SMDDNHRTSA-N 1 0 282.815 3.086 20 10 CGCDRO CC[C@@H]([NH2+]CCc1ccc(N)cc1)c1cccc([N+](=O)[O-])c1 ZINC000817955642 632250678 /nfs/dbraw/zinc/25/06/78/632250678.db2.gz DITZKZYNPJNPGO-QGZVFWFLSA-N 1 0 299.374 3.460 20 10 CGCDRO Nc1ccc(CC[NH2+][C@@H]2CCc3ccccc32)cc1 ZINC000817955777 632251119 /nfs/dbraw/zinc/25/11/19/632251119.db2.gz HOJAMSMHZOWWSA-QGZVFWFLSA-N 1 0 252.361 3.088 20 10 CGCDRO Cc1nc([C@@H](C)[NH2+]CCc2ccc(N)cc2)c(C)s1 ZINC000817955971 632251160 /nfs/dbraw/zinc/25/11/60/632251160.db2.gz MPPJMTKOQKFOCJ-SNVBAGLBSA-N 1 0 275.421 3.235 20 10 CGCDRO Nc1ccc(CC[NH2+][C@H]2CCc3ccccc32)cc1 ZINC000817955776 632251237 /nfs/dbraw/zinc/25/12/37/632251237.db2.gz HOJAMSMHZOWWSA-KRWDZBQOSA-N 1 0 252.361 3.088 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](CN)CC(C)C)c(O)c1C ZINC000817958973 632254858 /nfs/dbraw/zinc/25/48/58/632254858.db2.gz NVOPHVCXGIIONT-UONOGXRCSA-N 1 0 264.413 3.033 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CC[NH2+][C@@H](C)C1)c1cccc(Cl)c1[O-] ZINC000817970649 632263897 /nfs/dbraw/zinc/26/38/97/632263897.db2.gz BHXUCHLSSJTTQK-MJVIPROJSA-N 1 0 282.815 3.227 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2NCCc3ccccc32)c(O)c1 ZINC000817973398 632265807 /nfs/dbraw/zinc/26/58/07/632265807.db2.gz FFNRRKGSHGTGLJ-KDOFPFPSSA-N 1 0 296.414 3.238 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1cccc(Cl)c1[O-] ZINC000817976905 632267363 /nfs/dbraw/zinc/26/73/63/632267363.db2.gz WTFFVXLZPWZFKC-UONOGXRCSA-N 1 0 294.826 3.228 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)[C@@H](C)[NH3+])c1ccc(Cl)c(Cl)c1[O-] ZINC000817978251 632268578 /nfs/dbraw/zinc/26/85/78/632268578.db2.gz YZTQWZIVWJXMPQ-FYBVGQRMSA-N 1 0 291.222 3.475 20 10 CGCDRO COc1cccc(C[NH2+][C@@H]2C[C@]2(F)c2ccccc2)c1O ZINC000818231080 632300200 /nfs/dbraw/zinc/30/02/00/632300200.db2.gz UUGWTXQLWOWSMK-WBVHZDCISA-N 1 0 287.334 3.128 20 10 CGCDRO Oc1ccc(Br)cc1C[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000818231477 632300450 /nfs/dbraw/zinc/30/04/50/632300450.db2.gz XGZXIHUXJGKBJY-QWHCGFSZSA-N 1 0 296.208 3.433 20 10 CGCDRO [NH3+]C[C@H]1CC[C@H](COc2ccc(N3CCCC3)cc2)CC1 ZINC000818620430 632343575 /nfs/dbraw/zinc/34/35/75/632343575.db2.gz ZPHIXLKLSBBNIA-WKILWMFISA-N 1 0 288.435 3.431 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H]2C[C@H]2C(F)(F)F)cc1 ZINC000865753656 632878652 /nfs/dbraw/zinc/87/86/52/632878652.db2.gz LJMNLRWOFWHBLP-LSMGEYOZSA-N 1 0 284.325 3.306 20 10 CGCDRO Oc1ccccc1C[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000865832356 632905793 /nfs/dbraw/zinc/90/57/93/632905793.db2.gz NDOLKEYZOVUEGY-VXGBXAGGSA-N 1 0 271.282 3.379 20 10 CGCDRO COc1cccc2c1OCCC[C@H]2[NH2+]Cc1ccccc1O ZINC000866253864 633046483 /nfs/dbraw/zinc/04/64/83/633046483.db2.gz OUHJIHACIRCPDV-OAHLLOKOSA-N 1 0 299.370 3.404 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]CC(C)(C)F)c2c1c(F)ccc2O ZINC000866407781 633126531 /nfs/dbraw/zinc/12/65/31/633126531.db2.gz CDUKIGZVPPTIKI-PSASIEDQSA-N 1 0 255.308 3.417 20 10 CGCDRO C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@@H]1C)c1cc(Cl)ccc1O ZINC000866443653 633133320 /nfs/dbraw/zinc/13/33/20/633133320.db2.gz RJXLNGXRYHGBCN-COMAGPEQSA-N 1 0 269.772 3.262 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H](C)O[C@H]2C)c(O)c1C ZINC000866444219 633135097 /nfs/dbraw/zinc/13/50/97/633135097.db2.gz ZYYARDLZLIUEIN-GZCFXPHUSA-N 1 0 263.381 3.226 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1O)[C@H](O)C(F)(F)F ZINC000866462961 633144288 /nfs/dbraw/zinc/14/42/88/633144288.db2.gz FGKMRBWDPDVUAI-CVJICSNFSA-N 1 0 297.704 3.008 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]CC[C@@H]2CCCS2)c1O ZINC000866481017 633153219 /nfs/dbraw/zinc/15/32/19/633153219.db2.gz NFGWMSPODXEKSF-RYUDHWBXSA-N 1 0 281.421 3.337 20 10 CGCDRO CS[C@H]1C[C@H]([NH2+][C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000866486576 633156265 /nfs/dbraw/zinc/15/62/65/633156265.db2.gz LCDBNMNAHDMMHO-UXIGCNINSA-N 1 0 264.438 3.297 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H]1C[C@H]1C1CCOCC1)c1ccccc1O ZINC000866539031 633181358 /nfs/dbraw/zinc/18/13/58/633181358.db2.gz DCBHIVWPZFBWHH-XIRDDKMYSA-N 1 0 289.419 3.496 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccnn2C)c(O)c1C ZINC000866613015 633213665 /nfs/dbraw/zinc/21/36/65/633213665.db2.gz DKHXQWIOVTYZEA-CHWSQXEVSA-N 1 0 273.380 3.154 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccnn2C)c(O)c1C ZINC000866613016 633213825 /nfs/dbraw/zinc/21/38/25/633213825.db2.gz DKHXQWIOVTYZEA-OLZOCXBDSA-N 1 0 273.380 3.154 20 10 CGCDRO CC[C@H](C[C@H](C)O)[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000866634529 633223286 /nfs/dbraw/zinc/22/32/86/633223286.db2.gz SBZNMKJEJJQOLO-BFHYXJOUSA-N 1 0 265.397 3.209 20 10 CGCDRO CC[C@H](C[C@H](C)O)[NH2+][C@@H](CC)c1ccc(N(C)C)cc1 ZINC000866634746 633223910 /nfs/dbraw/zinc/22/39/10/633223910.db2.gz IQACWFNHFIBCSQ-LXZKKBNFSA-N 1 0 278.440 3.343 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@](C)(F)C2)cc1 ZINC000824472517 633248790 /nfs/dbraw/zinc/24/87/90/633248790.db2.gz UTTJVVNBMMWNJC-OAHLLOKOSA-N 1 0 250.361 3.077 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1C ZINC000824714412 633278152 /nfs/dbraw/zinc/27/81/52/633278152.db2.gz DMPNJISXVKJBKF-GVDBMIGSSA-N 1 0 289.419 3.134 20 10 CGCDRO CC[N@H+](C)C[C@@H]1CCN(Cc2cc(Cl)c(C)cc2O)C1 ZINC000824894764 633302755 /nfs/dbraw/zinc/30/27/55/633302755.db2.gz JPYNDALFSSDRMM-ZDUSSCGKSA-N 1 0 296.842 3.128 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCSC[C@@H]2C2CC2)c1 ZINC000824914370 633305115 /nfs/dbraw/zinc/30/51/15/633305115.db2.gz QYRQCJPNDIPEQD-CQSZACIVSA-N 1 0 263.406 3.028 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@@H](C3CC3)[C@@H]2C2CC2)c1 ZINC000824940720 633308735 /nfs/dbraw/zinc/30/87/35/633308735.db2.gz BEODOEQLPFUDNI-WMZOPIPTSA-N 1 0 287.403 3.411 20 10 CGCDRO CCOc1ccc(C[N@@H+]2C[C@@H](C3CC3)[C@@H]2C2CC2)c(O)c1 ZINC000824941150 633309258 /nfs/dbraw/zinc/30/92/58/633309258.db2.gz JSRPWJGGZBDIKI-WMZOPIPTSA-N 1 0 287.403 3.411 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2C[C@H](C)n3ccnc32)cc1C ZINC000825017393 633318702 /nfs/dbraw/zinc/31/87/02/633318702.db2.gz QDKFIGUZGROIOY-GXTWGEPZSA-N 1 0 271.364 3.001 20 10 CGCDRO C[C@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2O)c2nccn21 ZINC000825017515 633318779 /nfs/dbraw/zinc/31/87/79/633318779.db2.gz TVSJNYXYHGXITN-CABZTGNLSA-N 1 0 277.755 3.038 20 10 CGCDRO CC(C)[C@@H]1CC[N@@H+]1Cc1ccc(Br)cc1O ZINC000825038040 633320876 /nfs/dbraw/zinc/32/08/76/633320876.db2.gz ODDASDYIIGLEGH-LBPRGKRZSA-N 1 0 284.197 3.385 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C2CCC(C)(O)CC2)cc1Cl ZINC000825325454 633345626 /nfs/dbraw/zinc/34/56/26/633345626.db2.gz FKSLNFOQLZYRSJ-UHFFFAOYSA-N 1 0 283.799 3.137 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCCc3cn[nH]c32)cc1Cl ZINC000825365864 633349157 /nfs/dbraw/zinc/34/91/57/633349157.db2.gz NMQTVZMIGLSQEI-CYBMUJFWSA-N 1 0 291.782 3.244 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCO[C@H](C)C2)cc1Cl ZINC000825380276 633350826 /nfs/dbraw/zinc/35/08/26/633350826.db2.gz ZRROKCWPSWAINR-PWSUYJOCSA-N 1 0 269.772 3.011 20 10 CGCDRO CO[C@H]1C[N@H+](Cc2cc(Cl)c(C)cc2O)CC[C@H]1C ZINC000825633560 633368712 /nfs/dbraw/zinc/36/87/12/633368712.db2.gz AXUJUFLAMHZIJV-BMIGLBTASA-N 1 0 283.799 3.211 20 10 CGCDRO COCC(C)(C)C[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825975828 633393947 /nfs/dbraw/zinc/39/39/47/633393947.db2.gz VRQPBGVYILBXKD-UHFFFAOYSA-N 1 0 271.788 3.116 20 10 CGCDRO CCn1ccnc1[C@H](C)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000826074486 633402707 /nfs/dbraw/zinc/40/27/07/633402707.db2.gz BRJZOPMGNVSXAO-NSHDSACASA-N 1 0 293.798 3.421 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCCC2(O)CCC2)cc1Cl ZINC000826130164 633407236 /nfs/dbraw/zinc/40/72/36/633407236.db2.gz DWNDKJIPCKYCBP-UHFFFAOYSA-N 1 0 283.799 3.139 20 10 CGCDRO CC[C@@H](COCC1CC1)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000826866773 633438579 /nfs/dbraw/zinc/43/85/79/633438579.db2.gz DEEOASDCSSHASJ-KRWDZBQOSA-N 1 0 290.451 3.356 20 10 CGCDRO COc1ccc(C[N@H+](C)Cc2ccc(N(C)C)cc2)cc1 ZINC000122570171 633440956 /nfs/dbraw/zinc/44/09/56/633440956.db2.gz DDHWSGARCRFNEN-UHFFFAOYSA-N 1 0 284.403 3.393 20 10 CGCDRO C[C@]12COC[C@@H]1C[N@H+](Cc1ccc3ccccc3c1O)C2 ZINC000827284953 633478208 /nfs/dbraw/zinc/47/82/08/633478208.db2.gz WZDFZJHZOVXGCH-YJBOKZPZSA-N 1 0 283.371 3.014 20 10 CGCDRO OC[C@H](C[NH2+]Cc1ccc2ccccc2c1O)CC1CC1 ZINC000827359120 633484797 /nfs/dbraw/zinc/48/47/97/633484797.db2.gz JGOZXVTVAACHKO-AWEZNQCLSA-N 1 0 285.387 3.044 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)c1O ZINC000827376883 633486834 /nfs/dbraw/zinc/48/68/34/633486834.db2.gz KIWCTNVVTPXPID-RDJZCZTQSA-N 1 0 289.419 3.482 20 10 CGCDRO COc1ccc(O)c(C[N@H+](CCC2CC2)CC2CC2)c1 ZINC000827729649 633512950 /nfs/dbraw/zinc/51/29/50/633512950.db2.gz XGCXDINIKBSDDD-UHFFFAOYSA-N 1 0 275.392 3.413 20 10 CGCDRO Cc1cc(C[N@@H+](C)[C@@H]2CCOC2)ccc1N1CCCCC1 ZINC000827771979 633515767 /nfs/dbraw/zinc/51/57/67/633515767.db2.gz JHDBSRLBLHPRNI-QGZVFWFLSA-N 1 0 288.435 3.206 20 10 CGCDRO CO[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)c(C)c2)C1 ZINC000827986386 633544668 /nfs/dbraw/zinc/54/46/68/633544668.db2.gz VGAZTQZVSDEUDY-QGZVFWFLSA-N 1 0 288.435 3.206 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCCc3n[nH]cc3C2)cc1Cl ZINC000828009352 633548686 /nfs/dbraw/zinc/54/86/86/633548686.db2.gz JQBMFYYEFZEKBP-UHFFFAOYSA-N 1 0 291.782 3.026 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@H](OC(C)C)C2)cc1 ZINC000828838136 633660342 /nfs/dbraw/zinc/66/03/42/633660342.db2.gz WXQMSXRMMQIVTB-QGZVFWFLSA-N 1 0 276.424 3.142 20 10 CGCDRO Cc1cc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)ccc1N(C)C ZINC000830566064 633870810 /nfs/dbraw/zinc/87/08/10/633870810.db2.gz GNVRRSDPRDNSIB-OWCLPIDISA-N 1 0 258.409 3.339 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)[C@H]1CCCOC1 ZINC000872027549 633947429 /nfs/dbraw/zinc/94/74/29/633947429.db2.gz FAPIAUINAIBVFB-GOEBONIOSA-N 1 0 294.414 3.187 20 10 CGCDRO CCC[C@H](C)[C@@H](CO)[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000846185348 636155834 /nfs/dbraw/zinc/15/58/34/636155834.db2.gz VAYHRQYZBYXYPX-DUVNUKRYSA-N 1 0 279.424 3.457 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2C[C@H]3CCC[C@@H]3O2)c1 ZINC000872109132 634032660 /nfs/dbraw/zinc/03/26/60/634032660.db2.gz HZRREVGKEUKSAG-IFOZYUSPSA-N 1 0 291.391 3.009 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@H](COC)CC2)cc1 ZINC000832745991 634089874 /nfs/dbraw/zinc/08/98/74/634089874.db2.gz OYCTTZRDBGDUBD-KRWDZBQOSA-N 1 0 290.451 3.391 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H](COC)CC2)cc1 ZINC000832745992 634090282 /nfs/dbraw/zinc/09/02/82/634090282.db2.gz OYCTTZRDBGDUBD-QGZVFWFLSA-N 1 0 290.451 3.391 20 10 CGCDRO CC(C)CC[C@](C)(O)C[NH2+]Cc1c(O)cccc1Cl ZINC000124030040 634102816 /nfs/dbraw/zinc/10/28/16/634102816.db2.gz MSMQOHFKGAINEL-HNNXBMFYSA-N 1 0 285.815 3.322 20 10 CGCDRO C[C@H]1C[C@H]([NH2+]CCCSc2nccs2)c2nccn21 ZINC000834592406 634192721 /nfs/dbraw/zinc/19/27/21/634192721.db2.gz ACCAWOODGXBTRM-QWRGUYRKSA-N 1 0 294.449 3.117 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCc2cccc(O)c21)c1c(C)nn(C)c1C ZINC000834607330 634196916 /nfs/dbraw/zinc/19/69/16/634196916.db2.gz VEOZIJUZRIFZQY-GJZGRUSLSA-N 1 0 299.418 3.471 20 10 CGCDRO COc1cc(C)ccc1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834619645 634199430 /nfs/dbraw/zinc/19/94/30/634199430.db2.gz JOSROURPTCHHLH-HNNXBMFYSA-N 1 0 283.371 3.486 20 10 CGCDRO CCCOc1ccc(C[NH2+]C[C@@H](O)c2ccco2)cc1C ZINC000873010220 634231085 /nfs/dbraw/zinc/23/10/85/634231085.db2.gz CONXBIWFVJJEAO-OAHLLOKOSA-N 1 0 289.375 3.200 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]CCc1ccc(F)c(F)c1)CC2 ZINC000834779574 634241079 /nfs/dbraw/zinc/24/10/79/634241079.db2.gz NLMPNGCUOSOUGE-HNNXBMFYSA-N 1 0 289.325 3.490 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@@H]2CCO[C@@H](C)C2)cc1C ZINC000873099226 634246013 /nfs/dbraw/zinc/24/60/13/634246013.db2.gz UBFQGQLPYRIJKH-GOEBONIOSA-N 1 0 277.408 3.441 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](C)C2)cc1Cn1cccn1 ZINC000873112555 634247564 /nfs/dbraw/zinc/24/75/64/634247564.db2.gz WEXOLRFVZWECAL-WMLDXEAASA-N 1 0 299.418 3.218 20 10 CGCDRO CC[C@@H]([NH2+]CCC(C)(C)CO)c1cc(Cl)ccc1O ZINC000834869908 634259967 /nfs/dbraw/zinc/25/99/67/634259967.db2.gz DMTVDJRPZOCYRY-CYBMUJFWSA-N 1 0 285.815 3.495 20 10 CGCDRO CCn1ccnc1C[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000834880266 634263637 /nfs/dbraw/zinc/26/36/37/634263637.db2.gz QUYUHUKPRPXAOH-JQWIXIFHSA-N 1 0 289.354 3.086 20 10 CGCDRO Cc1cccnc1CCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834882613 634265675 /nfs/dbraw/zinc/26/56/75/634265675.db2.gz BTWPDWOUYIAVQP-INIZCTEOSA-N 1 0 282.387 3.305 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2C[C@@H](C)n3ccnc32)c(O)c1 ZINC000834894260 634272387 /nfs/dbraw/zinc/27/23/87/634272387.db2.gz JVFHEGUXYNOEKQ-DYEKYZERSA-N 1 0 271.364 3.254 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CC2(CC)COC2)cc1 ZINC000834898452 634274495 /nfs/dbraw/zinc/27/44/95/634274495.db2.gz DBBFELMFOXJEGQ-CQSZACIVSA-N 1 0 276.424 3.220 20 10 CGCDRO C[C@@H]([NH2+]CCC1(CO)CC1)c1cc2c(cc1O)CCCC2 ZINC000834897586 634274516 /nfs/dbraw/zinc/27/45/16/634274516.db2.gz USFYTIFSGRLEFI-CYBMUJFWSA-N 1 0 289.419 3.084 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CC2(CC)COC2)cc1 ZINC000834898451 634274704 /nfs/dbraw/zinc/27/47/04/634274704.db2.gz DBBFELMFOXJEGQ-AWEZNQCLSA-N 1 0 276.424 3.220 20 10 CGCDRO CN(C)c1cc(F)c(C[NH2+]C2(C)CC(F)(F)C2)cc1F ZINC000873197564 634282000 /nfs/dbraw/zinc/28/20/00/634282000.db2.gz HBTHZHRXGMVOFP-UHFFFAOYSA-N 1 0 290.304 3.308 20 10 CGCDRO C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1cc(F)cc(F)c1[O-] ZINC000834907722 634283659 /nfs/dbraw/zinc/28/36/59/634283659.db2.gz AUHAFHXCIASSKS-LLVKDONJSA-N 1 0 298.377 3.195 20 10 CGCDRO CC1(C)C[C@@H](C[NH2+][C@@H]2CCc3cccc(O)c32)CCO1 ZINC000834910085 634284306 /nfs/dbraw/zinc/28/43/06/634284306.db2.gz NEWBHYNTBABPCU-GXTWGEPZSA-N 1 0 275.392 3.174 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H]2CC[C@@H](C)O2)cc1 ZINC000834914980 634286437 /nfs/dbraw/zinc/28/64/37/634286437.db2.gz LQNRRBPENUKKQO-JKIFEVAISA-N 1 0 276.424 3.361 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(F)cc1[O-] ZINC000873260868 634308495 /nfs/dbraw/zinc/30/84/95/634308495.db2.gz JCXDOVRLNJIXKE-UZMCECQYSA-N 1 0 292.398 3.103 20 10 CGCDRO CN(C)c1ccc(/C=C\C[N@H+](C)[C@H](CO)C(C)(C)C)cc1 ZINC000835028657 634326510 /nfs/dbraw/zinc/32/65/10/634326510.db2.gz OJWCXHZNIPXSSX-ZPUOCTKUSA-N 1 0 290.451 3.105 20 10 CGCDRO CCc1cc(C[NH2+]C/C=C\c2ccc(N(C)C)cc2)on1 ZINC000835033314 634326899 /nfs/dbraw/zinc/32/68/99/634326899.db2.gz SFMRZOLCUSLFNB-WAYWQWQTSA-N 1 0 285.391 3.106 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+]CCOC(C)(C)C)cc1 ZINC000835035287 634327337 /nfs/dbraw/zinc/32/73/37/634327337.db2.gz FZGNKALDKIJCLA-SREVYHEPSA-N 1 0 276.424 3.171 20 10 CGCDRO C[C@@H](O)CC(C)(C)C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835041129 634329402 /nfs/dbraw/zinc/32/94/02/634329402.db2.gz VQNZFFVFNJWTMC-LQYUOIDQSA-N 1 0 290.451 3.153 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+]CCc2cscn2)cc1 ZINC000835041478 634329667 /nfs/dbraw/zinc/32/96/67/634329667.db2.gz XRKFXNCKJBVUEH-ARJAWSKDSA-N 1 0 287.432 3.055 20 10 CGCDRO CCC1([NH2+]C/C=C\c2ccc(N(C)C)cc2)CCOCC1 ZINC000835045659 634332177 /nfs/dbraw/zinc/33/21/77/634332177.db2.gz YAQBBMZAVXQWMH-WAYWQWQTSA-N 1 0 288.435 3.315 20 10 CGCDRO CS[C@@H]1CC[N@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835053912 634338403 /nfs/dbraw/zinc/33/84/03/634338403.db2.gz FWZMIZYOIKEIDV-YIEVGGLXSA-N 1 0 276.449 3.203 20 10 CGCDRO CO[C@@H]([C@H](C)[NH2+]C/C=C\c1ccc(N(C)C)cc1)C1CC1 ZINC000835055246 634339777 /nfs/dbraw/zinc/33/97/77/634339777.db2.gz SCLGMCKSDRXJRG-ZRHOUOSFSA-N 1 0 288.435 3.169 20 10 CGCDRO C[C@@H](F)CC[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835057167 634340218 /nfs/dbraw/zinc/34/02/18/634340218.db2.gz YQJHKWYBXNHLNF-MUBLQREKSA-N 1 0 250.361 3.104 20 10 CGCDRO CC(C)[N@H+](C/C=C\c1ccc(N(C)C)cc1)[C@H]1CCOC1 ZINC000835056663 634341012 /nfs/dbraw/zinc/34/10/12/634341012.db2.gz WNXAXMVEZKHLJW-XFHJGTJQSA-N 1 0 288.435 3.265 20 10 CGCDRO COc1cccc(O)c1C[NH2+][C@H](C)CC(C)(C)C ZINC000835065115 634343301 /nfs/dbraw/zinc/34/33/01/634343301.db2.gz MSWCMNQAORZEMA-LLVKDONJSA-N 1 0 251.370 3.315 20 10 CGCDRO COc1cccc(O)c1C[NH2+][C@@H](C)CC(C)(C)C ZINC000835065116 634343694 /nfs/dbraw/zinc/34/36/94/634343694.db2.gz MSWCMNQAORZEMA-NSHDSACASA-N 1 0 251.370 3.315 20 10 CGCDRO COc1cc(O)c(C[NH2+][C@@H](C2CC2)C2CCC2)cc1OC ZINC000835071060 634344070 /nfs/dbraw/zinc/34/40/70/634344070.db2.gz VYSIJBQKJJXDQI-QGZVFWFLSA-N 1 0 291.391 3.078 20 10 CGCDRO Cc1ccc(C[N@@H+](C)Cc2cc(Cl)cn2C)c(O)c1 ZINC000876805896 634901992 /nfs/dbraw/zinc/90/19/92/634901992.db2.gz HQVKPRJUZVGPEP-UHFFFAOYSA-N 1 0 278.783 3.325 20 10 CGCDRO Cc1ccc(C[NH2+]C[C@H](O)c2ccc(Cl)cc2)c(O)c1 ZINC000876912691 634927386 /nfs/dbraw/zinc/92/73/86/634927386.db2.gz XXPGUTHPKWGEIK-INIZCTEOSA-N 1 0 291.778 3.177 20 10 CGCDRO COCc1cccc(C[NH2+]Cc2ccc(C)cc2O)c1 ZINC000876936209 634932034 /nfs/dbraw/zinc/93/20/34/634932034.db2.gz YIVGCNDDXPHRTL-UHFFFAOYSA-N 1 0 271.360 3.137 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2ccc(OC(C)C)nc2)c(O)c1 ZINC000876938651 634932234 /nfs/dbraw/zinc/93/22/34/634932234.db2.gz LRIUPDZGUYWCMP-UHFFFAOYSA-N 1 0 286.375 3.173 20 10 CGCDRO CCOC1CC(C[NH2+]Cc2ccc(N(CC)CC)cc2)C1 ZINC000876944225 634933340 /nfs/dbraw/zinc/93/33/40/634933340.db2.gz JDUKZKRSDMAPMO-UHFFFAOYSA-N 1 0 290.451 3.438 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c(O)c1 ZINC000876945388 634933714 /nfs/dbraw/zinc/93/37/14/634933714.db2.gz BSFMZNSROWKVKW-LBPRGKRZSA-N 1 0 286.331 3.460 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cc(C2CC2)no1 ZINC000877031471 634956249 /nfs/dbraw/zinc/95/62/49/634956249.db2.gz RJGFOYTTXRDPSG-UHFFFAOYSA-N 1 0 285.391 3.216 20 10 CGCDRO Cc1ccc(C[NH2+]C[C@@H]2OCCc3ccccc32)c(O)c1 ZINC000877037168 634958814 /nfs/dbraw/zinc/95/88/14/634958814.db2.gz MANMCQNJPPADAF-SFHVURJKSA-N 1 0 283.371 3.104 20 10 CGCDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(C)cc2O)C12CCC2 ZINC000877044295 634961909 /nfs/dbraw/zinc/96/19/09/634961909.db2.gz XKDANMRYBLDSEB-HOTGVXAUSA-N 1 0 275.392 3.138 20 10 CGCDRO Cc1ccc(C[NH2+]C[C@@H](O)c2ccccc2Cl)c(O)c1 ZINC000877056587 634965884 /nfs/dbraw/zinc/96/58/84/634965884.db2.gz YLGRJPLYHQCPDQ-MRXNPFEDSA-N 1 0 291.778 3.177 20 10 CGCDRO CO[C@](C)(C[NH2+]CCCSc1nccs1)C1CC1 ZINC000877061931 634967569 /nfs/dbraw/zinc/96/75/69/634967569.db2.gz VPLVQOWMZVWQKP-CYBMUJFWSA-N 1 0 286.466 3.030 20 10 CGCDRO CC[C@@](C)(C[NH2+]CCCSc1nccs1)OC ZINC000877061957 634967614 /nfs/dbraw/zinc/96/76/14/634967614.db2.gz WGTXXFJUOOXRFL-LBPRGKRZSA-N 1 0 274.455 3.030 20 10 CGCDRO CS[C@H]1CC[C@@H]([NH2+]Cc2ccc(C)cc2O)C1 ZINC000877070571 634971535 /nfs/dbraw/zinc/97/15/35/634971535.db2.gz QJYUVGXXFUWUDS-OLZOCXBDSA-N 1 0 251.395 3.074 20 10 CGCDRO CCO[C@@H](CC[NH2+]Cc1ccc(C)cc1O)C(C)C ZINC000877083192 634978235 /nfs/dbraw/zinc/97/82/35/634978235.db2.gz JLWQAZIIHDWJPU-INIZCTEOSA-N 1 0 265.397 3.241 20 10 CGCDRO Cc1ccc(C[NH2+]CCC[C@@H]2CCCC[C@H]2O)c(O)c1 ZINC000877098067 634984503 /nfs/dbraw/zinc/98/45/03/634984503.db2.gz KQFUPPSZSDHFLT-GOEBONIOSA-N 1 0 277.408 3.122 20 10 CGCDRO Cc1ccc(C[NH2+]CCC[C@H]2CCCC[C@H]2O)c(O)c1 ZINC000877098066 634985049 /nfs/dbraw/zinc/98/50/49/634985049.db2.gz KQFUPPSZSDHFLT-GDBMZVCRSA-N 1 0 277.408 3.122 20 10 CGCDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000877123375 634991442 /nfs/dbraw/zinc/99/14/42/634991442.db2.gz JRYSUYARHWPTIK-CZUORRHYSA-N 1 0 277.408 3.384 20 10 CGCDRO Cc1ccc(C[NH2+][C@H](C)C[C@@H](O)c2cccs2)c(O)c1 ZINC000877129862 634994859 /nfs/dbraw/zinc/99/48/59/634994859.db2.gz OMXKLDUQVWXSKN-IUODEOHRSA-N 1 0 291.416 3.364 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]Cc1ccccc1N(C)C ZINC000877149019 635000878 /nfs/dbraw/zinc/00/08/78/635000878.db2.gz BVPDEDTZBZHXTL-UHFFFAOYSA-N 1 0 270.376 3.056 20 10 CGCDRO Cc1ccc(C[NH2+][C@H]2CCOc3c(F)cccc32)c(O)c1 ZINC000877465028 635047128 /nfs/dbraw/zinc/04/71/28/635047128.db2.gz QUMKSNXULPROQB-HNNXBMFYSA-N 1 0 287.334 3.453 20 10 CGCDRO CC(C)=CCC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877472432 635049683 /nfs/dbraw/zinc/04/96/83/635049683.db2.gz SQZXUPSQMWMXAZ-UHFFFAOYSA-N 1 0 288.435 3.094 20 10 CGCDRO Cc1ccc(C[NH2+]C[C@@H](O)c2cc(C)cc(C)c2)c(O)c1 ZINC000877503702 635064373 /nfs/dbraw/zinc/06/43/73/635064373.db2.gz UHEPGSLQHNIFRW-GOSISDBHSA-N 1 0 285.387 3.141 20 10 CGCDRO Cc1ccc(C[N@H+]2CCCCC[C@H]2C[C@@H](C)O)c(O)c1 ZINC000877517347 635067035 /nfs/dbraw/zinc/06/70/35/635067035.db2.gz NGBYVTOKWDTZST-ZBFHGGJFSA-N 1 0 277.408 3.216 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)[C@H](O)C(C)C ZINC000840878562 635070830 /nfs/dbraw/zinc/07/08/30/635070830.db2.gz GVIXYSMGUODLPV-RRQGHBQHSA-N 1 0 278.440 3.199 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)[C@@H](O)C(C)C ZINC000840878560 635071492 /nfs/dbraw/zinc/07/14/92/635071492.db2.gz GVIXYSMGUODLPV-COXVUDFISA-N 1 0 278.440 3.199 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)C1(OC)CCC1)c1ccccc1O ZINC000840883900 635073363 /nfs/dbraw/zinc/07/33/63/635073363.db2.gz HCZIXIDCHNWEEU-JSGCOSHPSA-N 1 0 263.381 3.391 20 10 CGCDRO CSCCC[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840898952 635078314 /nfs/dbraw/zinc/07/83/14/635078314.db2.gz JJBVHCGCFGSGKE-UHFFFAOYSA-N 1 0 259.802 3.197 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2c(C)cccc2O)c1 ZINC000877534079 635076216 /nfs/dbraw/zinc/07/62/16/635076216.db2.gz XHDXAGRILLIVGO-LBPRGKRZSA-N 1 0 287.359 3.266 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H](C)C1CC1 ZINC000840890526 635076710 /nfs/dbraw/zinc/07/67/10/635076710.db2.gz AICSRVMACAZADT-KBPBESRZSA-N 1 0 260.425 3.380 20 10 CGCDRO Cc1ccc(C[NH2+][C@H]2c3ccccc3O[C@@H]2C)c(O)c1 ZINC000877536283 635077086 /nfs/dbraw/zinc/07/70/86/635077086.db2.gz MYGXRPVWBMMEGP-SJKOYZFVSA-N 1 0 269.344 3.312 20 10 CGCDRO CCOC[C@@H](C)[NH2+][C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000840894123 635077476 /nfs/dbraw/zinc/07/74/76/635077476.db2.gz PIMDBKBEEUBOLP-LSDHHAIUSA-N 1 0 278.440 3.007 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000840910496 635080536 /nfs/dbraw/zinc/08/05/36/635080536.db2.gz HUEPUGHPZZNUSR-MRXNPFEDSA-N 1 0 298.434 3.164 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000840912994 635081405 /nfs/dbraw/zinc/08/14/05/635081405.db2.gz BNQQZKIUNFCRMO-GOSISDBHSA-N 1 0 298.434 3.095 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@H+](C)CCC1CCOCC1 ZINC000840918668 635083100 /nfs/dbraw/zinc/08/31/00/635083100.db2.gz XWLNBYZCFJASMS-UHFFFAOYSA-N 1 0 290.451 3.310 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)Cc1ccco1 ZINC000840929908 635084092 /nfs/dbraw/zinc/08/40/92/635084092.db2.gz ZAMOGLUGAGGDJH-AWEZNQCLSA-N 1 0 272.392 3.375 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C)[C@H]1CCCO1 ZINC000840937787 635086160 /nfs/dbraw/zinc/08/61/60/635086160.db2.gz XYQBWOQKDJIIHH-IAGOWNOFSA-N 1 0 276.424 3.108 20 10 CGCDRO CC[C@H]1C[N@H+](Cc2c(O)cc(C)cc2Cl)CCCO1 ZINC000840942508 635088626 /nfs/dbraw/zinc/08/86/26/635088626.db2.gz YIJUCEVAFSZUFU-LBPRGKRZSA-N 1 0 283.799 3.355 20 10 CGCDRO CCCN(Cc1ccoc1C)c1ccc(C[NH3+])cc1 ZINC000840942264 635088764 /nfs/dbraw/zinc/08/87/64/635088764.db2.gz XHAMDVRRSDORFM-UHFFFAOYSA-N 1 0 258.365 3.463 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)c(Cl)c1 ZINC000840943314 635088783 /nfs/dbraw/zinc/08/87/83/635088783.db2.gz LHDZKXHGKQNEAM-HOCLYGCPSA-N 1 0 295.810 3.497 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCOC[C@@H]2C)c(Cl)c1 ZINC000840946983 635089501 /nfs/dbraw/zinc/08/95/01/635089501.db2.gz IUIRMNCEKUODQO-RYUDHWBXSA-N 1 0 283.799 3.116 20 10 CGCDRO CO[C@@H](C[NH2+]Cc1c(C)cccc1O)Cc1ccccc1 ZINC000877559574 635090411 /nfs/dbraw/zinc/09/04/11/635090411.db2.gz ZYMBUSASAJFTIK-MRXNPFEDSA-N 1 0 285.387 3.048 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1ccncc1 ZINC000840975081 635098040 /nfs/dbraw/zinc/09/80/40/635098040.db2.gz CMDWAKRGNWRJNF-OAHLLOKOSA-N 1 0 283.419 3.177 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)c(O)c1 ZINC000877633829 635123931 /nfs/dbraw/zinc/12/39/31/635123931.db2.gz RZBXVJUYQNJGAH-AEFFLSMTSA-N 1 0 289.419 3.482 20 10 CGCDRO Cc1cccc(O)c1C[NH+]1CC(Cc2ccsc2)C1 ZINC000877646819 635130500 /nfs/dbraw/zinc/13/05/00/635130500.db2.gz PYEOHNXMERAFKB-UHFFFAOYSA-N 1 0 273.401 3.437 20 10 CGCDRO CCOc1ccc(C[NH+]2CCC(CCF)CC2)c(O)c1 ZINC000877675355 635142575 /nfs/dbraw/zinc/14/25/75/635142575.db2.gz XWCUMYNBMFEQDH-UHFFFAOYSA-N 1 0 281.371 3.363 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+][C@H]2C[C@H](SC)C2)c1O ZINC000877700263 635151299 /nfs/dbraw/zinc/15/12/99/635151299.db2.gz KSSNLFDCKOIUKU-XYPYZODXSA-N 1 0 287.812 3.038 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H](C2CCC2)[C@@H]2CCCO2)c(O)c1 ZINC000877701313 635152940 /nfs/dbraw/zinc/15/29/40/635152940.db2.gz QGTCRNUVGJZKIU-IRXDYDNUSA-N 1 0 275.392 3.138 20 10 CGCDRO Cc1nn(C(C)(C)C)c(C)c1CN1Cc2cccc(O)c2C1 ZINC000877702560 635154288 /nfs/dbraw/zinc/15/42/88/635154288.db2.gz BMPYXLAZLUUWLY-UHFFFAOYSA-N 1 0 299.418 3.476 20 10 CGCDRO COC(=O)CC(C)(C)C[C@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000877755660 635184105 /nfs/dbraw/zinc/18/41/05/635184105.db2.gz KHBODLQYNZXOKA-QWHCGFSZSA-N 1 0 293.407 3.411 20 10 CGCDRO CC[C@@H](C)[C@H](C[NH2+][C@H](C)c1ccccc1O)OC ZINC000877755930 635184396 /nfs/dbraw/zinc/18/43/96/635184396.db2.gz TVISGQGDAXGWMA-JMSVASOKSA-N 1 0 251.370 3.104 20 10 CGCDRO CC(C)n1cc(C[NH2+][C@@H](C)c2ccccc2O)cn1 ZINC000877757170 635186249 /nfs/dbraw/zinc/18/62/49/635186249.db2.gz KUWADFJRHDNDMW-LBPRGKRZSA-N 1 0 259.353 3.020 20 10 CGCDRO COC1(C[C@@H](C)[NH2+][C@@H](C)c2ccccc2O)CCC1 ZINC000877758271 635187119 /nfs/dbraw/zinc/18/71/19/635187119.db2.gz PZSYRDRYOOWTOV-OLZOCXBDSA-N 1 0 263.381 3.391 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1)c1ccccc1O ZINC000877758066 635187166 /nfs/dbraw/zinc/18/71/66/635187166.db2.gz HQZHHBOXVLAYCM-OUJBWJOFSA-N 1 0 289.297 3.153 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]C1([C@H]2CCCCO2)CCC1 ZINC000877771762 635198600 /nfs/dbraw/zinc/19/86/00/635198600.db2.gz WYROHNTYVSVFAH-OAHLLOKOSA-N 1 0 279.355 3.113 20 10 CGCDRO COc1ccc(C[NH2+][C@H](C)c2ccc(Cl)cc2O)cn1 ZINC000841743414 635220353 /nfs/dbraw/zinc/22/03/53/635220353.db2.gz FZVBSFNPPDQGBC-SNVBAGLBSA-N 1 0 292.766 3.300 20 10 CGCDRO CC[C@@H](C)N(C)CC[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841745766 635221476 /nfs/dbraw/zinc/22/14/76/635221476.db2.gz AJAJSYPUASYLGR-VXGBXAGGSA-N 1 0 284.831 3.427 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1CCCCO1)c1ccc(Cl)cc1O ZINC000841746032 635222214 /nfs/dbraw/zinc/22/22/14/635222214.db2.gz UGIHWHDYCFCQRK-ZYHUDNBSSA-N 1 0 269.772 3.265 20 10 CGCDRO C[C@H]([NH2+]Cc1ccccc1CO)c1ccc(Cl)cc1O ZINC000841745118 635222572 /nfs/dbraw/zinc/22/25/72/635222572.db2.gz NIJUFZGTLFAIHD-NSHDSACASA-N 1 0 291.778 3.389 20 10 CGCDRO Cc1cc(C[NH2+][C@H](C)c2ccc(Cl)cc2O)on1 ZINC000841748054 635223930 /nfs/dbraw/zinc/22/39/30/635223930.db2.gz VRVDZQOSQUXVSR-SECBINFHSA-N 1 0 266.728 3.193 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)c1ccc(Cl)cc1O ZINC000841752822 635227531 /nfs/dbraw/zinc/22/75/31/635227531.db2.gz CIMKVTGAFNDAKT-FOGDFJRCSA-N 1 0 269.772 3.264 20 10 CGCDRO CO[C@H](C[NH2+][C@H](C)c1cc(F)ccc1O)CC(C)C ZINC000841755338 635228113 /nfs/dbraw/zinc/22/81/13/635228113.db2.gz JHHFSHNEPYEQBT-YPMHNXCESA-N 1 0 269.360 3.243 20 10 CGCDRO CO[C@@H](C[NH2+][C@H](C)c1ccc(N(C)C)cc1)CC(C)C ZINC000841755304 635228732 /nfs/dbraw/zinc/22/87/32/635228732.db2.gz JANROEXKYARBKS-RHSMWYFYSA-N 1 0 278.440 3.464 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1COCC1(C)C)c1ccc(Cl)cc1O ZINC000841757092 635231118 /nfs/dbraw/zinc/23/11/18/635231118.db2.gz MCRDKMJWMMGKSW-NOZJJQNGSA-N 1 0 269.772 3.121 20 10 CGCDRO CC(C)[C@](C)(O)C[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841757199 635232016 /nfs/dbraw/zinc/23/20/16/635232016.db2.gz BUZGFHGZCDUIOV-QMTHXVAHSA-N 1 0 271.788 3.103 20 10 CGCDRO CC[C@H]([NH2+]Cc1cc(F)ccc1O)[C@@H](O)c1ccccc1 ZINC000877832472 635233584 /nfs/dbraw/zinc/23/35/84/635233584.db2.gz MKCVUDKVOPBERI-RDJZCZTQSA-N 1 0 289.350 3.133 20 10 CGCDRO C[C@@H]([NH2+][C@H](CO)c1ccccc1)c1ccc(Cl)cc1O ZINC000841765576 635234666 /nfs/dbraw/zinc/23/46/66/635234666.db2.gz ZUNGWHYNPAEERH-IAQYHMDHSA-N 1 0 291.778 3.430 20 10 CGCDRO CO[C@H](C[NH2+]Cc1cc(Cl)ccc1O)CC(C)C ZINC000841888533 635247113 /nfs/dbraw/zinc/24/71/13/635247113.db2.gz KXWSUQRMCSBIMD-ZDUSSCGKSA-N 1 0 271.788 3.196 20 10 CGCDRO CO[C@@H](C[NH2+]Cc1c(O)cccc1Cl)CC(C)C ZINC000841888686 635247277 /nfs/dbraw/zinc/24/72/77/635247277.db2.gz NGJSFQSZVJHKNA-LLVKDONJSA-N 1 0 271.788 3.196 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)c1 ZINC000842613183 635418771 /nfs/dbraw/zinc/41/87/71/635418771.db2.gz WOLCDBQTFTYMRJ-DOTOQJQBSA-N 1 0 289.419 3.400 20 10 CGCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H](c3cccnc3)C1)CCC2 ZINC000842623129 635420530 /nfs/dbraw/zinc/42/05/30/635420530.db2.gz UBEKTIFFZCTYKO-KRWDZBQOSA-N 1 0 294.398 3.265 20 10 CGCDRO C[C@H]([NH2+][C@H]1CO[C@H](C)C1)c1cc2c(cc1O)CCCC2 ZINC000842929773 635514095 /nfs/dbraw/zinc/51/40/95/635514095.db2.gz UOWILKYWXXFKSC-TYNCELHUSA-N 1 0 275.392 3.099 20 10 CGCDRO [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000843045228 635549192 /nfs/dbraw/zinc/54/91/92/635549192.db2.gz QEMNIFQEERHYQP-IUODEOHRSA-N 1 0 294.826 3.010 20 10 CGCDRO CC[C@H]1C[C@H](CN2CCCc3cc(C[NH3+])ccc32)CCO1 ZINC000843058206 635553571 /nfs/dbraw/zinc/55/35/71/635553571.db2.gz OOOUVYMBOAACLT-WBVHZDCISA-N 1 0 288.435 3.103 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000843416626 635663434 /nfs/dbraw/zinc/66/34/34/635663434.db2.gz VRCMRBNSULNMGB-JSGCOSHPSA-N 1 0 261.365 3.165 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](c3cccnc3)C2)cc1F ZINC000843419887 635665612 /nfs/dbraw/zinc/66/56/12/635665612.db2.gz VLTHWYSNHDJAKP-INIZCTEOSA-N 1 0 299.393 3.276 20 10 CGCDRO CCOc1ccc(C[NH+]2CC(C)(CC(F)F)C2)c(O)c1 ZINC000843425040 635669902 /nfs/dbraw/zinc/66/99/02/635669902.db2.gz RTEUMZNKSLUGDQ-UHFFFAOYSA-N 1 0 285.334 3.268 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CNc2ccccc2C1 ZINC000844906592 635980948 /nfs/dbraw/zinc/98/09/48/635980948.db2.gz UTNMPSNEZDIDQN-QGZVFWFLSA-N 1 0 295.430 3.187 20 10 CGCDRO CC[C@]1(C)CCC[C@H]1[NH2+]Cc1cc(OC)ccc1O ZINC000845935788 636120606 /nfs/dbraw/zinc/12/06/06/636120606.db2.gz BKOPOFKDICCQDJ-HZPDHXFCSA-N 1 0 263.381 3.459 20 10 CGCDRO Cc1cccc(C[NH2+][C@H](c2ccccc2F)[C@@H](C)O)c1O ZINC000846017501 636130589 /nfs/dbraw/zinc/13/05/89/636130589.db2.gz ORCAVHXVYSPSDA-WBMJQRKESA-N 1 0 289.350 3.051 20 10 CGCDRO Cc1cc(O)c(C[NH+]2CCC([C@H](C)CO)CC2)c(Cl)c1 ZINC000846057813 636140083 /nfs/dbraw/zinc/14/00/83/636140083.db2.gz JSMVUXBDFSXRJD-GFCCVEGCSA-N 1 0 297.826 3.194 20 10 CGCDRO Cc1cc(Cl)cc(C[NH+]2CCC([C@@H](C)CO)CC2)c1O ZINC000846058708 636140659 /nfs/dbraw/zinc/14/06/59/636140659.db2.gz RXTSCAPLWNTDMP-LBPRGKRZSA-N 1 0 297.826 3.194 20 10 CGCDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000846105965 636144283 /nfs/dbraw/zinc/14/42/83/636144283.db2.gz ZQZPXYHMCYLAAS-ZDUSSCGKSA-N 1 0 271.282 3.153 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)cc1F ZINC000846109639 636145316 /nfs/dbraw/zinc/14/53/16/636145316.db2.gz DZTZYTJZYVEROQ-BETUJISGSA-N 1 0 298.352 3.369 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)cc1F ZINC000846116800 636146538 /nfs/dbraw/zinc/14/65/38/636146538.db2.gz JVXFAGVXCSPWCT-CQSZACIVSA-N 1 0 284.325 3.123 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]Cc2cccc(F)c2)c1O ZINC000846138693 636148593 /nfs/dbraw/zinc/14/85/93/636148593.db2.gz MQFMLYDBTVDHSA-NSHDSACASA-N 1 0 275.323 3.391 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@H](C)c2ccccn2)c1O ZINC000846136524 636148650 /nfs/dbraw/zinc/14/86/50/636148650.db2.gz JSULKFFHKSOICP-NWDGAFQWSA-N 1 0 272.348 3.208 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]Cc2ccc(Cl)nc2)c1O ZINC000846140841 636148758 /nfs/dbraw/zinc/14/87/58/636148758.db2.gz GPOIFDRWOMKENE-JTQLQIEISA-N 1 0 292.766 3.300 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]CCCC(F)(F)F)c1O ZINC000846143186 636149160 /nfs/dbraw/zinc/14/91/60/636149160.db2.gz BMGWPHVKKXDFFB-VIFPVBQESA-N 1 0 277.286 3.394 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H](CCO)CC(C)C)c1O ZINC000846148570 636149855 /nfs/dbraw/zinc/14/98/55/636149855.db2.gz QZDCLXDXNPGODS-KBPBESRZSA-N 1 0 295.423 3.096 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@@](C)(O)CCC(C)C)c1O ZINC000846145525 636149940 /nfs/dbraw/zinc/14/99/40/636149940.db2.gz OGSCTRSTFCOJSO-GUYCJALGSA-N 1 0 295.423 3.239 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CC[C@@H](SC)C2)c1O ZINC000846148665 636149952 /nfs/dbraw/zinc/14/99/52/636149952.db2.gz SWHOTEHMNOHEPG-QJPTWQEYSA-N 1 0 281.421 3.336 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]CC(C)(C)[C@H](O)C(C)C)c1O ZINC000846158190 636150266 /nfs/dbraw/zinc/15/02/66/636150266.db2.gz UOYCUZCJIXEGSW-BLLLJJGKSA-N 1 0 295.423 3.095 20 10 CGCDRO CCCCN(C)C[C@H](C)[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846169617 636152659 /nfs/dbraw/zinc/15/26/59/636152659.db2.gz FVXIPSBUAQXCBX-UONOGXRCSA-N 1 0 294.439 3.172 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C2(C3CCC3)CC2)c1O ZINC000846207523 636158539 /nfs/dbraw/zinc/15/85/39/636158539.db2.gz OMDDDGNUZKIWBE-NSHDSACASA-N 1 0 261.365 3.384 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)COCC2CC2)c(O)c1 ZINC000846204563 636158757 /nfs/dbraw/zinc/15/87/57/636158757.db2.gz MTXFJZDGDWCQHG-QWHCGFSZSA-N 1 0 263.381 3.166 20 10 CGCDRO CCOc1ccc(N(C)CCCCCC[NH3+])cc1 ZINC000846219192 636162514 /nfs/dbraw/zinc/16/25/14/636162514.db2.gz JUWQZXKOGOAVLK-UHFFFAOYSA-N 1 0 250.386 3.041 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+][C@H]1CCCSC1 ZINC000129237916 636198716 /nfs/dbraw/zinc/19/87/16/636198716.db2.gz RBVCUBKQNAZSKB-NSHDSACASA-N 1 0 257.786 3.031 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCc2cccnc2)c1 ZINC000930217527 636218272 /nfs/dbraw/zinc/21/82/72/636218272.db2.gz XGUFIYLYSCEQGO-CYBMUJFWSA-N 1 0 286.375 3.079 20 10 CGCDRO CC(C)OC1CCC([NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000130146199 636421773 /nfs/dbraw/zinc/42/17/73/636421773.db2.gz KCXIJVIBIPBEEV-UHFFFAOYSA-N 1 0 289.419 3.447 20 10 CGCDRO C[C@H]1CC[C@H]([NH2+]CCCSc2nccs2)CS1 ZINC000848528053 636590462 /nfs/dbraw/zinc/59/04/62/636590462.db2.gz JINPQYGHFDJIDB-QWRGUYRKSA-N 1 0 288.507 3.499 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CC2(COC)CC2)cc1 ZINC000848560341 636605287 /nfs/dbraw/zinc/60/52/87/636605287.db2.gz CXUVBKDJEPXTBR-AWEZNQCLSA-N 1 0 276.424 3.220 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H](C2CC2)[C@H]2CCCCO2)cc1 ZINC000848560011 636605982 /nfs/dbraw/zinc/60/59/82/636605982.db2.gz IXZIMUMAFLDIOX-MSOLQXFVSA-N 1 0 288.435 3.190 20 10 CGCDRO COCC1(C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)CC1 ZINC000848560863 636606499 /nfs/dbraw/zinc/60/64/99/636606499.db2.gz MFEBDSRKNBLWNC-NSHDSACASA-N 1 0 283.799 3.431 20 10 CGCDRO COCC1(C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)CC1 ZINC000848560430 636606659 /nfs/dbraw/zinc/60/66/59/636606659.db2.gz FJAPKZKQUOHGJG-PWSUYJOCSA-N 1 0 279.355 3.096 20 10 CGCDRO C[C@H](C[NH2+][C@@H](C)c1cc(F)ccc1O)C(=O)OC(C)(C)C ZINC000848563633 636607213 /nfs/dbraw/zinc/60/72/13/636607213.db2.gz VYLUHDHGAVMMMU-MNOVXSKESA-N 1 0 297.370 3.160 20 10 CGCDRO C[C@@H](C[NH2+][C@@H](C)c1ccccc1O)C(=O)OC(C)(C)C ZINC000848563768 636607246 /nfs/dbraw/zinc/60/72/46/636607246.db2.gz XFBBQRNMVXOVPM-RYUDHWBXSA-N 1 0 279.380 3.021 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](C)C(=O)OC(C)(C)C)c1 ZINC000848563848 636607453 /nfs/dbraw/zinc/60/74/53/636607453.db2.gz XPBIRCNGNBSRPE-CHWSQXEVSA-N 1 0 293.407 3.329 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCN3CCCC[C@@H]23)c1 ZINC000848568354 636610534 /nfs/dbraw/zinc/61/05/34/636610534.db2.gz GJMGPBPJXOVXIR-XIRDDKMYSA-N 1 0 288.435 3.368 20 10 CGCDRO CCOc1ccc(C[NH2+][C@@H](CC)[C@H]2CCCCO2)c(O)c1 ZINC000848574420 636613136 /nfs/dbraw/zinc/61/31/36/636613136.db2.gz FDUVITXGONPEHH-DOTOQJQBSA-N 1 0 293.407 3.228 20 10 CGCDRO CN1CCCc2cc(C[NH2+][C@@H]3CCCSC3)ccc21 ZINC000131308815 636617139 /nfs/dbraw/zinc/61/71/39/636617139.db2.gz UENQUTDFOXELJA-OAHLLOKOSA-N 1 0 276.449 3.054 20 10 CGCDRO C[C@@H]([NH2+]CCc1ccns1)c1ccc(Cl)cc1O ZINC000883247630 636617650 /nfs/dbraw/zinc/61/76/50/636617650.db2.gz QVXWJUKKGKHTED-SECBINFHSA-N 1 0 282.796 3.395 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CC2(C)CC(F)(F)C2)cc1F ZINC000883250110 636621211 /nfs/dbraw/zinc/62/12/11/636621211.db2.gz BILALIZDZWVRIO-UHFFFAOYSA-N 1 0 286.341 3.417 20 10 CGCDRO CO[C@H]1C[C@H](C[NH2+][C@H](C)c2c(C)cc(C)cc2O)C1 ZINC000883272741 636644332 /nfs/dbraw/zinc/64/43/32/636644332.db2.gz VARGYVOUVPZDCT-MGPQQGTHSA-N 1 0 263.381 3.085 20 10 CGCDRO CCc1cccc(C[NH2+][C@H](CO)[C@@H](C)c2ccccc2)c1O ZINC000848897941 636680622 /nfs/dbraw/zinc/68/06/22/636680622.db2.gz WWQDYNQINZWGDQ-KBXCAEBGSA-N 1 0 299.414 3.209 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H]2CCO[C@H](C3CC3)C2)c1O ZINC000848903301 636683247 /nfs/dbraw/zinc/68/32/47/636683247.db2.gz PJZZPXXFZWLLEM-CVEARBPZSA-N 1 0 275.392 3.002 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCC[C@@H](OCC3CC3)C2)c1O ZINC000848904559 636683949 /nfs/dbraw/zinc/68/39/49/636683949.db2.gz XOUGEVGRKYTKOI-QGZVFWFLSA-N 1 0 289.419 3.346 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCSCC[C@@H]2C)c1O ZINC000848906414 636683961 /nfs/dbraw/zinc/68/39/61/636683961.db2.gz UWXUXFCOKVNIPL-LBPRGKRZSA-N 1 0 265.422 3.282 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@@H]2CCCCN2C2CC2)c1O ZINC000848906997 636685315 /nfs/dbraw/zinc/68/53/15/636685315.db2.gz GITDIDBMPXWFIZ-KRWDZBQOSA-N 1 0 288.435 3.061 20 10 CGCDRO CCc1cccc(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)C2)c1O ZINC000848919874 636691324 /nfs/dbraw/zinc/69/13/24/636691324.db2.gz UKCSJKCQWYUPLT-GASCZTMLSA-N 1 0 277.408 3.390 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H](C2CC2)[C@H]2CCCCO2)c1O ZINC000848922083 636692653 /nfs/dbraw/zinc/69/26/53/636692653.db2.gz LWRXMKXEOXGZJH-CVEARBPZSA-N 1 0 275.392 3.138 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1noc2ccccc12 ZINC000848930166 636701370 /nfs/dbraw/zinc/70/13/70/636701370.db2.gz NNWBUEIRHFRRRO-UHFFFAOYSA-N 1 0 295.386 3.492 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCC[C@]12CCCO2)c1cc(F)ccc1O ZINC000883366579 636707839 /nfs/dbraw/zinc/70/78/39/636707839.db2.gz WMIIQCWHLZJTCW-XZJROXQQSA-N 1 0 279.355 3.284 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000883370276 636711704 /nfs/dbraw/zinc/71/17/04/636711704.db2.gz IYLVLZMZEQKGKK-CABCVRRESA-N 1 0 281.783 3.237 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C2CCC3(COC3)CC2)c(O)c1 ZINC000883381337 636723289 /nfs/dbraw/zinc/72/32/89/636723289.db2.gz KVQRUQWPVOVLJY-ZDUSSCGKSA-N 1 0 275.392 3.310 20 10 CGCDRO CCC[N@H+](Cc1cccc(OCC)c1O)C(C)C ZINC000132053590 636777966 /nfs/dbraw/zinc/77/79/66/636777966.db2.gz CUYBETACUHDVKQ-UHFFFAOYSA-N 1 0 251.370 3.411 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CCC[C@H](CC)C2)c1O ZINC000132255979 636797277 /nfs/dbraw/zinc/79/72/77/636797277.db2.gz HDXBSQXTONUQMO-ZDUSSCGKSA-N 1 0 263.381 3.413 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CCc3cc(N)ccc32)cc1C ZINC000849352327 636817563 /nfs/dbraw/zinc/81/75/63/636817563.db2.gz LCAXCYJWVJMFHM-QGZVFWFLSA-N 1 0 282.387 3.363 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCc2cc(N)ccc21 ZINC000849353112 636817813 /nfs/dbraw/zinc/81/78/13/636817813.db2.gz YZUGASWAFBTAAB-IBGZPJMESA-N 1 0 295.430 3.420 20 10 CGCDRO CC[C@@H]([NH2+]CCOCC(F)(F)F)c1ccccc1O ZINC000108942947 636894750 /nfs/dbraw/zinc/89/47/50/636894750.db2.gz APDGSFCPFIKTKU-LLVKDONJSA-N 1 0 277.286 3.012 20 10 CGCDRO CCOCCC[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850004297 636925767 /nfs/dbraw/zinc/92/57/67/636925767.db2.gz KSSJWMLXRLWNMJ-UHFFFAOYSA-N 1 0 295.423 3.215 20 10 CGCDRO CC[C@H](C[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O)OC ZINC000850308014 637012436 /nfs/dbraw/zinc/01/24/36/637012436.db2.gz VENZIOXYAMACRQ-CYBMUJFWSA-N 1 0 295.423 3.213 20 10 CGCDRO CC[C@@H]1C[C@@H]([NH2+][C@H](C)Cc2ccc(N(C)C)cc2C)CO1 ZINC000850328637 637017900 /nfs/dbraw/zinc/01/79/00/637017900.db2.gz WRULPCCQSMKFOD-QGPMSJSTSA-N 1 0 290.451 3.149 20 10 CGCDRO COc1ccc(N2CC[C@@H]([NH2+]C[C@@H]3CC=CCC3)C2)cc1 ZINC000850346636 637022888 /nfs/dbraw/zinc/02/28/88/637022888.db2.gz VKUKRVCKNGPHBE-HZPDHXFCSA-N 1 0 286.419 3.220 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H]2COC3(CCC3)C2)c(Cl)c1 ZINC000850369663 637032353 /nfs/dbraw/zinc/03/23/53/637032353.db2.gz ILTUXHYPIHSIAU-LLVKDONJSA-N 1 0 281.783 3.155 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H](OC)C2CCCC2)c1 ZINC000850400274 637049119 /nfs/dbraw/zinc/04/91/19/637049119.db2.gz DMOPAMMZZKUNGM-QGZVFWFLSA-N 1 0 293.407 3.086 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H](C)c2ccccn2)c1O ZINC000850480723 637084896 /nfs/dbraw/zinc/08/48/96/637084896.db2.gz CHVFBRLZHNYJLQ-OLZOCXBDSA-N 1 0 286.375 3.250 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](C)C2(CO)CC2)c1O ZINC000850515226 637099376 /nfs/dbraw/zinc/09/93/76/637099376.db2.gz JMMMPMGUCKWWOC-MNOVXSKESA-N 1 0 283.799 3.166 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2COC3(CCC3)C2)c2c1c(F)ccc2O ZINC000850523573 637102067 /nfs/dbraw/zinc/10/20/67/637102067.db2.gz AXJUSXGKYGOXOE-MDZLAQPJSA-N 1 0 291.366 3.381 20 10 CGCDRO CC[C@@H](O)C[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000850533032 637109650 /nfs/dbraw/zinc/10/96/50/637109650.db2.gz XKOIQWCOCJXYGZ-CRAIPNDOSA-N 1 0 290.451 3.489 20 10 CGCDRO CC[C@@H]([NH2+]Cc1nccc(OC)c1F)c1ccccc1O ZINC000850536320 637112749 /nfs/dbraw/zinc/11/27/49/637112749.db2.gz FLHGYXYJHQITBW-GFCCVEGCSA-N 1 0 290.338 3.176 20 10 CGCDRO Oc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCc3cccc(O)c31)CC2 ZINC000850542667 637114321 /nfs/dbraw/zinc/11/43/21/637114321.db2.gz SYIDYFNDQQRTSO-JKSUJKDBSA-N 1 0 281.355 3.362 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](CO)CC2CC2)c1O ZINC000850544140 637115829 /nfs/dbraw/zinc/11/58/29/637115829.db2.gz CPPGAHPTJGIDNO-DGCLKSJQSA-N 1 0 297.826 3.413 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1C(C)(C)C1(F)F)c1cc(F)ccc1O ZINC000850551944 637117477 /nfs/dbraw/zinc/11/74/77/637117477.db2.gz KSWRASZDTZPMAW-PRHODGIISA-N 1 0 273.298 3.473 20 10 CGCDRO CCCN1CC[C@H]([NH2+][C@H](C)c2ccc(Cl)cc2O)C1 ZINC000850554419 637120792 /nfs/dbraw/zinc/12/07/92/637120792.db2.gz JJEIGYMCCYREAI-YPMHNXCESA-N 1 0 282.815 3.181 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C(C)(C)C ZINC000850565778 637127169 /nfs/dbraw/zinc/12/71/69/637127169.db2.gz HZAKMDYFXBLMDS-AWEZNQCLSA-N 1 0 290.451 3.172 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1nccn1C)c1cc2c(cc1O)CCCC2 ZINC000850573084 637129665 /nfs/dbraw/zinc/12/96/65/637129665.db2.gz UDPBIOXJEXUZQB-OLZOCXBDSA-N 1 0 299.418 3.416 20 10 CGCDRO CN(C)c1ccc(C[NH+]2CCC3(CCCC3=O)CC2)cc1 ZINC000852631031 637687130 /nfs/dbraw/zinc/68/71/30/637687130.db2.gz KYHVVLDIZLXTQR-UHFFFAOYSA-N 1 0 286.419 3.088 20 10 CGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H](C3CCC3)C1)OCO2 ZINC000853590065 637870140 /nfs/dbraw/zinc/87/01/40/637870140.db2.gz QNZUEYGDZOEONF-CYBMUJFWSA-N 1 0 289.375 3.133 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2Cc3c[nH]nc3CC(C)(C)C2)cc1 ZINC000854055005 637979556 /nfs/dbraw/zinc/97/95/56/637979556.db2.gz FRUBTLHSBVWKPZ-UHFFFAOYSA-N 1 0 298.434 3.060 20 10 CGCDRO CC[C@H](C[C@@](C)(O)CC)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000924899808 638421386 /nfs/dbraw/zinc/42/13/86/638421386.db2.gz HPNDQTORECOUSK-WBVHZDCISA-N 1 0 277.408 3.041 20 10 CGCDRO C[C@H]1COC[C@@H]1[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000925014237 638436674 /nfs/dbraw/zinc/43/66/74/638436674.db2.gz ZDUOWRHPHYWBEQ-YJBOKZPZSA-N 1 0 288.435 3.047 20 10 CGCDRO C[C@@H]1COC[C@H]1[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000925014234 638437070 /nfs/dbraw/zinc/43/70/70/638437070.db2.gz ZDUOWRHPHYWBEQ-CRAIPNDOSA-N 1 0 288.435 3.047 20 10 CGCDRO COc1ccc(F)c(C[NH2+]Cc2cccc(C)c2O)c1 ZINC000857057970 638445535 /nfs/dbraw/zinc/44/55/35/638445535.db2.gz KUXAKHVHYHWHJT-UHFFFAOYSA-N 1 0 275.323 3.138 20 10 CGCDRO COc1cc(Cl)cc(C[NH+]2CC(CC3CC3)C2)c1O ZINC000857066377 638448219 /nfs/dbraw/zinc/44/82/19/638448219.db2.gz JCNVNYTVAYDZQZ-UHFFFAOYSA-N 1 0 281.783 3.286 20 10 CGCDRO CCOc1cccc(C[NH+]2CC(CC3CC3)C2)c1O ZINC000857066020 638448801 /nfs/dbraw/zinc/44/88/01/638448801.db2.gz CWZPIAYGKJSJMH-UHFFFAOYSA-N 1 0 261.365 3.023 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cccc(F)c1 ZINC000115629077 638569403 /nfs/dbraw/zinc/56/94/03/638569403.db2.gz PIEQPHIBINSRTF-UHFFFAOYSA-N 1 0 272.367 3.490 20 10 CGCDRO CN(C)c1cc(F)c(C[NH2+]Cc2cccc(F)c2)cc1F ZINC000858092653 638625993 /nfs/dbraw/zinc/62/59/93/638625993.db2.gz YTSSXOHVRGDJHW-UHFFFAOYSA-N 1 0 294.320 3.460 20 10 CGCDRO C[C@@H]1CCC[C@H](C[NH2+]Cc2cc(F)c(N(C)C)cc2F)O1 ZINC000858192666 638656280 /nfs/dbraw/zinc/65/62/80/638656280.db2.gz OHPMOYRNIOONAO-DGCLKSJQSA-N 1 0 298.377 3.078 20 10 CGCDRO C[C@H]([NH2+]CCCSc1nccs1)[C@H]1CCCCO1 ZINC000858365278 638694504 /nfs/dbraw/zinc/69/45/04/638694504.db2.gz MFKAQPRCXWFVGM-NWDGAFQWSA-N 1 0 286.466 3.173 20 10 CGCDRO Cc1cccc2c1C[C@H]([NH2+][C@H]1CCc3cccc(O)c31)CO2 ZINC000858459360 638724691 /nfs/dbraw/zinc/72/46/91/638724691.db2.gz CZTFCISHCXQQKO-HOCLYGCPSA-N 1 0 295.382 3.281 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CO[C@@H](C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000858546455 638758618 /nfs/dbraw/zinc/75/86/18/638758618.db2.gz VFFVXKSQFFRCQO-RYQLBKOJSA-N 1 0 288.435 3.361 20 10 CGCDRO COC(=O)[C@H]1CCCC[C@H]1C[NH2+][C@@H](C)c1ccccc1O ZINC000931555223 639169793 /nfs/dbraw/zinc/16/97/93/639169793.db2.gz VGHVPAZMWAPIJR-YDHLFZDLSA-N 1 0 291.391 3.022 20 10 CGCDRO Cc1cccc(OCC[NH2+][C@H](C)c2ccccc2O)c1 ZINC000042896076 639921826 /nfs/dbraw/zinc/92/18/26/639921826.db2.gz OOVCNNSMNBPCCP-CQSZACIVSA-N 1 0 271.360 3.430 20 10 CGCDRO CC[C@@H]([NH2+]CCc1ccc(C)nc1)c1ccccc1O ZINC000155783743 639949480 /nfs/dbraw/zinc/94/94/80/639949480.db2.gz YHLACEUOGGBMBZ-MRXNPFEDSA-N 1 0 270.376 3.379 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCOc3ccccc3C2)c1O ZINC000158029709 639996288 /nfs/dbraw/zinc/99/62/88/639996288.db2.gz JYNJZXPKZBWSPF-UHFFFAOYSA-N 1 0 269.344 3.095 20 10 CGCDRO CCC(C)(C)C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000189994726 640218972 /nfs/dbraw/zinc/21/89/72/640218972.db2.gz YWALGKFSWRAWJT-LLVKDONJSA-N 1 0 251.370 3.488 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1nccs1 ZINC000078004295 640276835 /nfs/dbraw/zinc/27/68/35/640276835.db2.gz FZUVVRBQPPNHAN-CQSZACIVSA-N 1 0 275.421 3.450 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)C[C@@H]2CCOC2)cc1 ZINC000192972021 640422928 /nfs/dbraw/zinc/42/29/28/640422928.db2.gz KKLAUZQFBGKTMC-INIZCTEOSA-N 1 0 276.424 3.001 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)C[C@H]2CCOC2)cc1 ZINC000192972036 640423337 /nfs/dbraw/zinc/42/33/37/640423337.db2.gz KKLAUZQFBGKTMC-MRXNPFEDSA-N 1 0 276.424 3.001 20 10 CGCDRO CCC[C@@]1(COC)CCC[N@@H+]1Cc1cc(OC)ccc1O ZINC000195199263 640569893 /nfs/dbraw/zinc/56/98/93/640569893.db2.gz YLMCQGGDQPPTOT-KRWDZBQOSA-N 1 0 293.407 3.182 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]CCc1cccs1 ZINC000083551405 640597375 /nfs/dbraw/zinc/59/73/75/640597375.db2.gz QAHJZEWPQKLQPP-UHFFFAOYSA-N 1 0 267.781 3.439 20 10 CGCDRO C[C@@H]([NH2+]CC1(C)CCC1)c1ccc(N2CCOCC2)cc1 ZINC000090219807 640673429 /nfs/dbraw/zinc/67/34/29/640673429.db2.gz LGTIKDDTUWLKIP-OAHLLOKOSA-N 1 0 288.435 3.364 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H]2CCCC[C@@H]2O)cc1 ZINC000248012211 640738905 /nfs/dbraw/zinc/73/89/05/640738905.db2.gz LIXBWYJEFNVIOG-LESCRADOSA-N 1 0 290.451 3.344 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCc3ccccc3[C@@H]2CO)cc1C ZINC000093455377 640772377 /nfs/dbraw/zinc/77/23/77/640772377.db2.gz NGKQGRNGFAROSU-SFHVURJKSA-N 1 0 297.398 3.101 20 10 CGCDRO CC[NH+](CC)C[C@@H]1CCN(Cc2cc(Cl)ccc2O)C1 ZINC000093693230 640780290 /nfs/dbraw/zinc/78/02/90/640780290.db2.gz LDCMHEFZCZIJLP-ZDUSSCGKSA-N 1 0 296.842 3.209 20 10 CGCDRO COc1cccc(C[N@H+](C)[C@@H]2C[C@](C)(OC)C2(C)C)c1O ZINC000093871836 640784076 /nfs/dbraw/zinc/78/40/76/640784076.db2.gz RYPVKTRKERSEQE-PBHICJAKSA-N 1 0 293.407 3.036 20 10 CGCDRO Cc1ncc(C[NH2+][C@@H](C)c2cc(F)ccc2O)s1 ZINC000094617835 640800478 /nfs/dbraw/zinc/80/04/78/640800478.db2.gz CSQIFLDCMDKVJA-QMMMGPOBSA-N 1 0 266.341 3.147 20 10 CGCDRO CC(C)[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000096810828 640838886 /nfs/dbraw/zinc/83/88/86/640838886.db2.gz XJDBGOANSWLKSC-CYBMUJFWSA-N 1 0 291.391 3.379 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)c1cccc(CO)c1 ZINC000305629874 640895686 /nfs/dbraw/zinc/89/56/86/640895686.db2.gz DYPNBAAARCLNAM-OAHLLOKOSA-N 1 0 298.430 3.404 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H](C)C[C@@H](O)c2ccco2)cc1C ZINC000305714040 640900321 /nfs/dbraw/zinc/90/03/21/640900321.db2.gz GKMVLJUNRZYXNU-CZUORRHYSA-N 1 0 289.375 3.204 20 10 CGCDRO Cc1ccc(N2CCCc3cc(O)c(O)cc3C2)[nH+]c1C ZINC001155941427 805626631 /nfs/dbraw/zinc/62/66/31/805626631.db2.gz PFLOQWSLAPEPIA-UHFFFAOYSA-N 1 0 284.359 3.062 20 10 CGCDRO c1cc2c(c(Nc3ccc4c(c3)CCN4)c1)CC[NH2+]C2 ZINC001159522947 806117050 /nfs/dbraw/zinc/11/70/50/806117050.db2.gz QVWFZMIXVCWIIZ-UHFFFAOYSA-N 1 0 265.360 3.044 20 10 CGCDRO O=C(c1ccc(Cl)cc1)c1ccccc1NC1=CC[NH2+]C1 ZINC001159721193 806161613 /nfs/dbraw/zinc/16/16/13/806161613.db2.gz DJIBLSKHMDKUDH-UHFFFAOYSA-N 1 0 298.773 3.470 20 10 CGCDRO CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])C1 ZINC001254720986 806487045 /nfs/dbraw/zinc/48/70/45/806487045.db2.gz FGJVCEOTZTWQGH-RYUDHWBXSA-N 1 0 298.377 3.053 20 10 CGCDRO CC1(C)CCC([NH2+]CCc2ccc(O)c(O)c2)CC1 ZINC001255297740 806599439 /nfs/dbraw/zinc/59/94/39/806599439.db2.gz HPUIVCGJMIHHRE-UHFFFAOYSA-N 1 0 263.381 3.199 20 10 CGCDRO CO[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)C1 ZINC001255615817 806681418 /nfs/dbraw/zinc/68/14/18/806681418.db2.gz FAMBUKVMVFLTCT-MEWQQHAOSA-N 1 0 279.355 3.237 20 10 CGCDRO CCCCC[C@H](C)[NH2+]Cc1cccc(OC)c1O ZINC000036792375 798850957 /nfs/dbraw/zinc/85/09/57/798850957.db2.gz TYQWTOPWZQWLFH-LBPRGKRZSA-N 1 0 251.370 3.459 20 10 CGCDRO Cc1n[nH]cc1C[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000038011158 798883984 /nfs/dbraw/zinc/88/39/84/798883984.db2.gz RBAPJNXQDZOQIE-GFCCVEGCSA-N 1 0 281.359 3.428 20 10 CGCDRO CCN(CC)C[C@H](C)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000045692697 798891182 /nfs/dbraw/zinc/89/11/82/798891182.db2.gz YJRLVPHJVQRSET-INIZCTEOSA-N 1 0 289.467 3.107 20 10 CGCDRO Cc1ccccc1CC[NH2+]Cc1ccc(N(C)C)cc1 ZINC000105770773 798980818 /nfs/dbraw/zinc/98/08/18/798980818.db2.gz CPFKQSVNVMJRRN-UHFFFAOYSA-N 1 0 268.404 3.393 20 10 CGCDRO Cc1ccc(O)c(C[N@H+](C)CCc2ccccc2)c1 ZINC000156042960 799064978 /nfs/dbraw/zinc/06/49/78/799064978.db2.gz TZDCRBBRSHQQAS-UHFFFAOYSA-N 1 0 255.361 3.375 20 10 CGCDRO C[C@@H]1C[C@H](C)[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000161294257 799079960 /nfs/dbraw/zinc/07/99/60/799079960.db2.gz GGCFNNMQLJZFCB-ZJUUUORDSA-N 1 0 284.197 3.385 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccccc1)CC2 ZINC000297836796 799200523 /nfs/dbraw/zinc/20/05/23/799200523.db2.gz SDRWVFZRPATHAU-MDZRGWNJSA-N 1 0 295.382 3.499 20 10 CGCDRO C[C@H]([NH2+]C1(C)CC1)c1cc(Br)ccc1O ZINC000308892803 799218136 /nfs/dbraw/zinc/21/81/36/799218136.db2.gz YJLPRDQONSEPLL-QMMMGPOBSA-N 1 0 270.170 3.358 20 10 CGCDRO CC[C@H](C)[C@H](C[NH2+][C@H](C)c1ccc(N(C)C)cc1)OC ZINC000381353798 799377121 /nfs/dbraw/zinc/37/71/21/799377121.db2.gz FSWIZVVBETVOQN-VBQJREDUSA-N 1 0 278.440 3.464 20 10 CGCDRO CC[C@@H]1CC[C@@H]1[NH2+]CCCSc1nccs1 ZINC000381569393 799381834 /nfs/dbraw/zinc/38/18/34/799381834.db2.gz WJPMQGCJFQWHTF-MNOVXSKESA-N 1 0 256.440 3.404 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CC3CCC2CC3)c1O ZINC000381933344 799390296 /nfs/dbraw/zinc/39/02/96/799390296.db2.gz XJERBEYPLOCWMF-UHFFFAOYSA-N 1 0 261.365 3.165 20 10 CGCDRO CC[C@H](C[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2C)OC ZINC000381980595 799391560 /nfs/dbraw/zinc/39/15/60/799391560.db2.gz IIKMETAXCFYYGF-YNEHKIRRSA-N 1 0 263.381 3.264 20 10 CGCDRO CSCC[C@@H](C)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000383926669 799409801 /nfs/dbraw/zinc/40/98/01/799409801.db2.gz AZWOKBFOLWOQIY-ZYHUDNBSSA-N 1 0 251.395 3.111 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](C)CC(C)(C)C)c(O)c1 ZINC000384453027 799416020 /nfs/dbraw/zinc/41/60/20/799416020.db2.gz JVQUSZIRGHSHMM-NSHDSACASA-N 1 0 251.370 3.315 20 10 CGCDRO C[C@H]([NH2+]CCCc1nccs1)c1ccc(N(C)C)cc1 ZINC000391138277 799476753 /nfs/dbraw/zinc/47/67/53/799476753.db2.gz JHWOYJJHFYGVOG-ZDUSSCGKSA-N 1 0 289.448 3.493 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]C[C@@H](C)CC(F)(F)F)c1 ZINC000396947165 799512043 /nfs/dbraw/zinc/51/20/43/799512043.db2.gz MVFRGYZDPAPKCH-JTQLQIEISA-N 1 0 261.287 3.379 20 10 CGCDRO Cc1cc(C)c(C[NH2+][C@@H](C)c2ccccc2O)cn1 ZINC000397071974 799513659 /nfs/dbraw/zinc/51/36/59/799513659.db2.gz ZQPJNDMOVRJAFZ-ZDUSSCGKSA-N 1 0 256.349 3.255 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CCC1(O)CCC1 ZINC000397825050 799520939 /nfs/dbraw/zinc/52/09/39/799520939.db2.gz ISSWEMSQODWTRD-CHWSQXEVSA-N 1 0 275.392 3.144 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CSC[C@@H]2C)c(O)c1 ZINC000397873438 799522114 /nfs/dbraw/zinc/52/21/14/799522114.db2.gz GSPWAQSBMOQRRD-GVXVVHGQSA-N 1 0 251.395 3.103 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CSC[C@H]2C)cc1 ZINC000397939766 799523091 /nfs/dbraw/zinc/52/30/91/799523091.db2.gz UDZFMLCATDZTLA-CJNGLKHVSA-N 1 0 278.465 3.374 20 10 CGCDRO C[C@@H]1CC[C@H](C[NH2+]Cc2ccc(N3CCCCC3)cc2)O1 ZINC000398089463 799525432 /nfs/dbraw/zinc/52/54/32/799525432.db2.gz RFPQHDVMHMMRQA-CRAIPNDOSA-N 1 0 288.435 3.334 20 10 CGCDRO CC[C@H]([NH2+]CCC[C@H]1CCOC1)c1ccccc1O ZINC000402058004 799560319 /nfs/dbraw/zinc/56/03/19/799560319.db2.gz SEKKVYLMUJCZCV-ZFWWWQNUSA-N 1 0 263.381 3.250 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)S3)c1 ZINC000403656717 799569478 /nfs/dbraw/zinc/56/94/78/799569478.db2.gz WPPFBTPEDJGRIR-WDFAYWTNSA-N 1 0 293.432 3.478 20 10 CGCDRO Cc1cccc(C[NH2+]C2CCC(F)(F)CC2)c1O ZINC000688459994 799748734 /nfs/dbraw/zinc/74/87/34/799748734.db2.gz ZXYRNBHSDXDJSQ-UHFFFAOYSA-N 1 0 255.308 3.368 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CC[C@H](C)SC2)c1 ZINC000689562440 799766077 /nfs/dbraw/zinc/76/60/77/799766077.db2.gz SOESTXBXLOOPBF-SRVKXCTJSA-N 1 0 281.421 3.336 20 10 CGCDRO CCOc1cccc(C[NH2+]CCc2ccc(C)o2)c1O ZINC000689852248 799770421 /nfs/dbraw/zinc/77/04/21/799770421.db2.gz DJGUWJFSBIAVQO-UHFFFAOYSA-N 1 0 275.348 3.025 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCSCC2)cc1 ZINC000692507358 799795752 /nfs/dbraw/zinc/79/57/52/799795752.db2.gz LKMXHWAWNWFUGZ-CQSZACIVSA-N 1 0 264.438 3.128 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCCC[C@@H](COC)C2)c1O ZINC000696616231 799840968 /nfs/dbraw/zinc/84/09/68/799840968.db2.gz BEXKXICGCYOVTJ-CQSZACIVSA-N 1 0 277.408 3.203 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]CCC2(C)CC2)c1O ZINC000700568611 799872296 /nfs/dbraw/zinc/87/22/96/799872296.db2.gz HQJVDYNCEOAKEI-UHFFFAOYSA-N 1 0 269.772 3.334 20 10 CGCDRO CCSC1(C[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC000700816539 799880035 /nfs/dbraw/zinc/88/00/35/799880035.db2.gz JIMSYYHEKUHHOD-UHFFFAOYSA-N 1 0 265.422 3.379 20 10 CGCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1ccnc(Cl)c1 ZINC000700819220 799881873 /nfs/dbraw/zinc/88/18/73/799881873.db2.gz HHZKELUEQPYASB-UHFFFAOYSA-N 1 0 287.794 3.147 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCN2C(C)(C)C)c(O)c1 ZINC000701951655 799900082 /nfs/dbraw/zinc/90/00/82/799900082.db2.gz BUDGBNJBEIZDDR-UONOGXRCSA-N 1 0 276.424 3.224 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+][C@@]2(C)CC2(C)C)c1O ZINC000701970143 799901093 /nfs/dbraw/zinc/90/10/93/799901093.db2.gz VNXRAMPQQTYMRE-AWEZNQCLSA-N 1 0 269.772 3.332 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CCCC(F)(F)CC2)c1 ZINC000702767931 799913531 /nfs/dbraw/zinc/91/35/31/799913531.db2.gz KPTKWPNABPSMRL-UHFFFAOYSA-N 1 0 271.307 3.022 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C2CCC(OC)CC2)c1 ZINC000703788397 799929440 /nfs/dbraw/zinc/92/94/40/799929440.db2.gz WAZOBFXXBJLRDN-PNESKVBLSA-N 1 0 279.380 3.009 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC[C@H]2CCSC2)c1 ZINC000704790554 799940418 /nfs/dbraw/zinc/94/04/18/799940418.db2.gz OMVCUHRIBZRIQI-OLZOCXBDSA-N 1 0 265.422 3.494 20 10 CGCDRO CC1CC([NH2+]Cc2c(O)cccc2Br)C1 ZINC000706830547 799967104 /nfs/dbraw/zinc/96/71/04/799967104.db2.gz ZYYDYANCJQWLOF-UHFFFAOYSA-N 1 0 270.170 3.043 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]CC[C@H]1CCCS1 ZINC000715666544 800142850 /nfs/dbraw/zinc/14/28/50/800142850.db2.gz KGOFVRPUCGKPSO-GFCCVEGCSA-N 1 0 271.813 3.421 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H](C)c2ccns2)c1O ZINC000715920661 800152510 /nfs/dbraw/zinc/15/25/10/800152510.db2.gz MNQRAIWKSFKDPB-JTQLQIEISA-N 1 0 262.378 3.262 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1ccns1 ZINC000715951516 800156210 /nfs/dbraw/zinc/15/62/10/800156210.db2.gz DVXQAAIGUVEMMY-GXSJLCMTSA-N 1 0 260.362 3.187 20 10 CGCDRO C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000716530125 800175202 /nfs/dbraw/zinc/17/52/02/800175202.db2.gz IITVXZPYFDESPN-FWYOQMDTSA-N 1 0 257.377 3.003 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CC(C)(C)CO2)c(O)c1 ZINC000717324145 800199506 /nfs/dbraw/zinc/19/95/06/800199506.db2.gz VJOZIQJNRVQTRS-CHWSQXEVSA-N 1 0 263.381 3.166 20 10 CGCDRO CO[C@H]1CCC[C@H]([NH2+]Cc2cc(C)ccc2O)CC1 ZINC000718355083 800216273 /nfs/dbraw/zinc/21/62/73/800216273.db2.gz WSEHPYTZBLPRRP-GJZGRUSLSA-N 1 0 263.381 3.138 20 10 CGCDRO COC(C)(C)[C@H](C)[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000720200170 800253930 /nfs/dbraw/zinc/25/39/30/800253930.db2.gz BJBLUIGDEGRSDV-RYUDHWBXSA-N 1 0 251.370 3.165 20 10 CGCDRO COc1ccc(O)c(C[NH2+]CC2CCC(SC)CC2)c1 ZINC000720572342 800261807 /nfs/dbraw/zinc/26/18/07/800261807.db2.gz HOWCHQDMSDSMCF-UHFFFAOYSA-N 1 0 295.448 3.412 20 10 CGCDRO CC1(C[NH2+][C@@H]2CCc3cccc(O)c32)CC(F)(F)C1 ZINC000720995783 800275902 /nfs/dbraw/zinc/27/59/02/800275902.db2.gz ZFOKFJORBIPQSG-LLVKDONJSA-N 1 0 267.319 3.405 20 10 CGCDRO CCc1cccc(C[NH2+][C@H](CC)[C@H]2CCCOC2)c1O ZINC000723958173 800346276 /nfs/dbraw/zinc/34/62/76/800346276.db2.gz DNVZXTRLQUUVEK-JKSUJKDBSA-N 1 0 277.408 3.249 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@@H]1CCCOC1 ZINC000723990756 800349698 /nfs/dbraw/zinc/34/96/98/800349698.db2.gz TUUVKNVUMJGKOD-WBVHZDCISA-N 1 0 276.424 3.047 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H](CCO)C2CCCC2)c(O)c1 ZINC000725073669 800371879 /nfs/dbraw/zinc/37/18/79/800371879.db2.gz ZXPCOKFZLOFQNM-CZUORRHYSA-N 1 0 277.408 3.292 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCC[C@H](C)O2)c(Cl)c1 ZINC000850379417 800518103 /nfs/dbraw/zinc/51/81/03/800518103.db2.gz OEEYPMKYEKNGLM-NWDGAFQWSA-N 1 0 283.799 3.401 20 10 CGCDRO CC(C)C1C[NH+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001256331104 806860682 /nfs/dbraw/zinc/86/06/82/806860682.db2.gz DJYIQMNSBRXRNZ-UHFFFAOYSA-N 1 0 258.409 3.375 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(-n2nc(C[NH3+])cc2C)cc1 ZINC001163985005 806869369 /nfs/dbraw/zinc/86/93/69/806869369.db2.gz GIMCCGQFHKEHBM-UHFFFAOYSA-N 1 0 280.375 3.047 20 10 CGCDRO C[NH+](C)Cc1cccc(CNc2ccc(O)cc2)c1 ZINC001163999439 806871452 /nfs/dbraw/zinc/87/14/52/806871452.db2.gz WUPMUFYWBHQNKO-UHFFFAOYSA-N 1 0 256.349 3.066 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCC2CCOCC2)c(O)c1C ZINC001116565284 802379737 /nfs/dbraw/zinc/37/97/37/802379737.db2.gz ODLDZEDNPXCRJY-CQSZACIVSA-N 1 0 277.408 3.476 20 10 CGCDRO C[C@]1(CO)CCC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC001117760053 802489882 /nfs/dbraw/zinc/48/98/82/802489882.db2.gz KLYNEUATNNWVDH-SFHVURJKSA-N 1 0 285.387 3.140 20 10 CGCDRO Oc1cccc(Br)c1C[NH2+][C@@H]1C=CCCC1 ZINC001118801035 802604981 /nfs/dbraw/zinc/60/49/81/802604981.db2.gz LGIFYHZAZXOGLC-SNVBAGLBSA-N 1 0 282.181 3.353 20 10 CGCDRO Nc1ccc(C[N@@H+]2CC[C@@H](COc3ccccc3)C2)cc1 ZINC001120370859 802742287 /nfs/dbraw/zinc/74/22/87/802742287.db2.gz HRXJYYRGHBHRDT-MRXNPFEDSA-N 1 0 282.387 3.170 20 10 CGCDRO CCOC(OCC)[C@@H](C)[NH2+]Cc1cc(C(C)C)ccc1O ZINC001184451678 810200784 /nfs/dbraw/zinc/20/07/84/810200784.db2.gz MZBJRIRQZOSUSB-CYBMUJFWSA-N 1 0 295.423 3.393 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](COC)C(C)C)cc1F ZINC001200600126 811716589 /nfs/dbraw/zinc/71/65/89/811716589.db2.gz CCKSJANRJXTBGF-INIZCTEOSA-N 1 0 296.430 3.433 20 10 CGCDRO O=C(c1ccccc1)[C@H]1CC[N@@H+](Cc2c([O-])cccc2F)C1 ZINC001137841690 803780085 /nfs/dbraw/zinc/78/00/85/803780085.db2.gz QFSAPVYXKPLRDP-AWEZNQCLSA-N 1 0 299.345 3.236 20 10 CGCDRO Cc1cc(C[N@H+]2C[C@H](O)C[C@H]2C)c(C)n1-c1ccccc1 ZINC001137853975 803784211 /nfs/dbraw/zinc/78/42/11/803784211.db2.gz CRQJIYMKKQQKTB-FZKQIMNGSA-N 1 0 284.403 3.049 20 10 CGCDRO Cc1c(CN2CCC[N@@H+]3CCC[C@@H]3C2)c2ccccc2n1C ZINC001138256628 803881089 /nfs/dbraw/zinc/88/10/89/803881089.db2.gz CYWPLMYHWQNKLG-MRXNPFEDSA-N 1 0 297.446 3.157 20 10 CGCDRO Cc1c(C[N@@H+]2CCCO[C@H](C)C2)c2ccccc2n1C ZINC001138252967 803882533 /nfs/dbraw/zinc/88/25/33/803882533.db2.gz YMYIQDCLYWDKLQ-CYBMUJFWSA-N 1 0 272.392 3.098 20 10 CGCDRO CO[C@@H]1CCC[N@H+](Cc2ccc3c(c2)CCCN3C)CC1 ZINC001138356442 803900999 /nfs/dbraw/zinc/90/09/99/803900999.db2.gz OIXNADUQGTUDCZ-QGZVFWFLSA-N 1 0 288.435 3.070 20 10 CGCDRO CO[C@H]1CC[N@H+](Cc2ccc3c(c2)CCCN3C)[C@@H](C)C1 ZINC001138360145 803902017 /nfs/dbraw/zinc/90/20/17/803902017.db2.gz NQHRBFXSNJUPNH-YOEHRIQHSA-N 1 0 288.435 3.068 20 10 CGCDRO Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CCCC1(C)C ZINC001139127432 804133439 /nfs/dbraw/zinc/13/34/39/804133439.db2.gz WAYFBDLXZDVCJO-UHFFFAOYSA-N 1 0 287.359 3.181 20 10 CGCDRO Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+](C)C(C)(C)C ZINC001139126902 804133623 /nfs/dbraw/zinc/13/36/23/804133623.db2.gz AYAHXRYQILQDFM-UHFFFAOYSA-N 1 0 275.348 3.037 20 10 CGCDRO Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CCCCC12CC2 ZINC001139131093 804134739 /nfs/dbraw/zinc/13/47/39/804134739.db2.gz NDGGUGUFAHWAPQ-UHFFFAOYSA-N 1 0 299.370 3.326 20 10 CGCDRO Cc1cc(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)ccc1N(C)C ZINC001139669661 804245612 /nfs/dbraw/zinc/24/56/12/804245612.db2.gz GDDJTRGONZQMEV-FUHWJXTLSA-N 1 0 288.435 3.062 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@H]2CC[NH2+][C@H](C(C)(C)C)C2)cc1 ZINC001246307901 804271473 /nfs/dbraw/zinc/27/14/73/804271473.db2.gz FLYWXVXOYCBNKP-RDJZCZTQSA-N 1 0 289.467 3.009 20 10 CGCDRO CCOC[C@@]12CCC[C@@H]1C[N@H+](Cc1cc(F)ccc1O)C2 ZINC001140062729 804367097 /nfs/dbraw/zinc/36/70/97/804367097.db2.gz FMUQRJNRWBEKAB-PBHICJAKSA-N 1 0 293.382 3.170 20 10 CGCDRO CO[C@H]1CCC[C@@H]2C[N@H+](Cc3c(C)ccc(C)c3O)C[C@@H]21 ZINC001140180529 804396371 /nfs/dbraw/zinc/39/63/71/804396371.db2.gz YLRCRSRHFOAHGI-PVAVHDDUSA-N 1 0 289.419 3.256 20 10 CGCDRO Cc1ccc(C)c(C[N@@H+]2CCC[C@@H]2c2cnccn2)c1O ZINC001140182110 804397032 /nfs/dbraw/zinc/39/70/32/804397032.db2.gz JPCWPSGLQVJIMG-MRXNPFEDSA-N 1 0 283.375 3.136 20 10 CGCDRO Cc1ccc(C)c(C[NH+]2CCC(n3cccn3)CC2)c1O ZINC001140184525 804398328 /nfs/dbraw/zinc/39/83/28/804398328.db2.gz YEYJBJCGQTXEJW-UHFFFAOYSA-N 1 0 285.391 3.043 20 10 CGCDRO Oc1cccc(Cl)c1C[N@@H+]1CCCC[C@H](F)C1 ZINC001140338072 804417574 /nfs/dbraw/zinc/41/75/74/804417574.db2.gz UBZPJWVIPGXEPT-JTQLQIEISA-N 1 0 257.736 3.370 20 10 CGCDRO Oc1cccc(Cl)c1C[NH+]1CCC2(CC2)CC1 ZINC001140338074 804418175 /nfs/dbraw/zinc/41/81/75/804418175.db2.gz UDDUNHYQSCKXDH-UHFFFAOYSA-N 1 0 251.757 3.422 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2c(O)cccc2Cl)CC[C@]1(C)O ZINC001140337722 804418694 /nfs/dbraw/zinc/41/86/94/804418694.db2.gz BCSPTPFDRCALOL-ABAIWWIYSA-N 1 0 283.799 3.029 20 10 CGCDRO C[C@H]1C[C@H]2C[N@H+](Cc3c(O)cccc3Cl)CC[C@H]2O1 ZINC001140339543 804420492 /nfs/dbraw/zinc/42/04/92/804420492.db2.gz WUXSLXACJYYBDR-ZIBATOQPSA-N 1 0 281.783 3.045 20 10 CGCDRO COC(C)(C)[C@H]1CCC[N@@H+]1Cc1c(O)cccc1Cl ZINC001140341451 804420665 /nfs/dbraw/zinc/42/06/65/804420665.db2.gz ONWVWBPJCIMQJF-CQSZACIVSA-N 1 0 283.799 3.435 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H](C(=O)c3ccccc3)C2)c1 ZINC001140623772 804477962 /nfs/dbraw/zinc/47/79/62/804477962.db2.gz QRWBAPYLYNAQKP-INIZCTEOSA-N 1 0 295.382 3.405 20 10 CGCDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)c1O ZINC001140747366 804504766 /nfs/dbraw/zinc/50/47/66/804504766.db2.gz AJIFLWQZOOKUPC-OCCSQVGLSA-N 1 0 261.365 3.171 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](CCOC)C(C)C)c(O)c1 ZINC001140854878 804533845 /nfs/dbraw/zinc/53/38/45/804533845.db2.gz FOYXTGAEXGYNPH-UHFFFAOYSA-N 1 0 294.439 3.095 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)Cc2ccccn2)c(O)c1 ZINC001140851901 804534065 /nfs/dbraw/zinc/53/40/65/804534065.db2.gz TVSROXVWRRSSPX-UHFFFAOYSA-N 1 0 299.418 3.265 20 10 CGCDRO Cc1ccc(C[N@H+](C)CCOc2ccccc2)c(O)c1 ZINC001140950174 804557630 /nfs/dbraw/zinc/55/76/30/804557630.db2.gz UEGIYUYNYLWHNC-UHFFFAOYSA-N 1 0 271.360 3.211 20 10 CGCDRO Cc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C2)c(O)c1 ZINC001140950756 804558918 /nfs/dbraw/zinc/55/89/18/804558918.db2.gz GXGYMSTZOIBTOJ-LLVKDONJSA-N 1 0 259.271 3.085 20 10 CGCDRO c1c(C[N@@H+]2CCC[C@H]3C[C@H]32)cc2c3c1CCCN3CCC2 ZINC001141078024 804585280 /nfs/dbraw/zinc/58/52/80/804585280.db2.gz JHRWOXMOLSJOFI-MAUKXSAKSA-N 1 0 282.431 3.370 20 10 CGCDRO Oc1ccc(O)c(C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC001141161385 804601482 /nfs/dbraw/zinc/60/14/82/804601482.db2.gz RBGNJCWBQTYHKE-CYBMUJFWSA-N 1 0 287.334 3.226 20 10 CGCDRO Oc1ccc(O)c(C[N@@H+]2CC[C@H]2c2ccccc2)c1 ZINC001141161762 804602080 /nfs/dbraw/zinc/60/20/80/804602080.db2.gz XEAQVXVSCDXKCU-HNNXBMFYSA-N 1 0 255.317 3.045 20 10 CGCDRO [O-]c1cc(F)c(F)cc1C[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC001142524784 804731219 /nfs/dbraw/zinc/73/12/19/804731219.db2.gz KOMGGMXZNQUYEL-IINYFYTJSA-N 1 0 267.319 3.435 20 10 CGCDRO [O-]c1cc(F)c(F)cc1C[N@@H+]1CCC2(CCC2)C1 ZINC001142524745 804731989 /nfs/dbraw/zinc/73/19/89/804731989.db2.gz IXWZCGNVYRNCCY-UHFFFAOYSA-N 1 0 253.292 3.046 20 10 CGCDRO Cc1ccc(C[N@@H+](C)Cc2cc(F)c(F)cc2[O-])cn1 ZINC001142530760 804732791 /nfs/dbraw/zinc/73/27/91/804732791.db2.gz LKTCRFPFGOLBFG-UHFFFAOYSA-N 1 0 278.302 3.006 20 10 CGCDRO CO[C@@H]1CCC[N@H+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143103617 804801544 /nfs/dbraw/zinc/80/15/44/804801544.db2.gz HKHKFWILNJXQQL-CQSZACIVSA-N 1 0 277.408 3.301 20 10 CGCDRO C[N@H+](Cc1cccc(C(C)(C)C)c1O)CC1(C)COC1 ZINC001143110247 804803362 /nfs/dbraw/zinc/80/33/62/804803362.db2.gz AAFNLKKPKJOGST-UHFFFAOYSA-N 1 0 277.408 3.158 20 10 CGCDRO CCN1CC[N@H+](Cc2cccc(C(C)(C)C)c2O)C[C@H]1C ZINC001143116440 804804057 /nfs/dbraw/zinc/80/40/57/804804057.db2.gz BFPWLCKWBHZKNZ-CQSZACIVSA-N 1 0 290.451 3.216 20 10 CGCDRO CN1CC[N@H+](Cc2cccc(C(C)(C)C)c2O)CC1(C)C ZINC001143112106 804804431 /nfs/dbraw/zinc/80/44/31/804804431.db2.gz KTWGUXXDJRLBSG-UHFFFAOYSA-N 1 0 290.451 3.216 20 10 CGCDRO CC[N@H+](Cc1cc2cccnc2[nH]1)Cc1ccccc1O ZINC001143222098 804824867 /nfs/dbraw/zinc/82/48/67/804824867.db2.gz XUAIUYGLAVUYFT-UHFFFAOYSA-N 1 0 281.359 3.291 20 10 CGCDRO CC[N@H+](Cc1[nH]nc2ccc(F)cc21)Cc1ccccc1O ZINC001144202458 804954887 /nfs/dbraw/zinc/95/48/87/804954887.db2.gz QNACKOKUQFKHPE-UHFFFAOYSA-N 1 0 299.349 3.430 20 10 CGCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@@H]2c2ccccc2)c(O)c1 ZINC001144508949 804997638 /nfs/dbraw/zinc/99/76/38/804997638.db2.gz FDBYFZSNYKMGSK-OAHLLOKOSA-N 1 0 285.343 3.141 20 10 CGCDRO CCC[C@H](C)CC[C@H](C)[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC001257473366 807173326 /nfs/dbraw/zinc/17/33/26/807173326.db2.gz YDYKLDLALCUFQH-STQMWFEESA-N 1 0 293.407 3.475 20 10 CGCDRO CCOc1ccc(N2CC[NH+]([C@H]3C[C@H]4C[C@H]4C3)CC2)cc1 ZINC001167948005 807280036 /nfs/dbraw/zinc/28/00/36/807280036.db2.gz JKPBJTDRTYFNJD-QLPKVWCKSA-N 1 0 286.419 3.006 20 10 CGCDRO CC(C)C[C@@H](C)C[C@@H](C)[NH2+]CCc1cc(O)c(O)cc1O ZINC001258057139 807280644 /nfs/dbraw/zinc/28/06/44/807280644.db2.gz RVAQJUCQCGMKAP-CHWSQXEVSA-N 1 0 295.423 3.396 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2cc3ccccc3cc2O)CCO1 ZINC001168090657 807308710 /nfs/dbraw/zinc/30/87/10/807308710.db2.gz GESNXQJJYXGPCK-WBMJQRKESA-N 1 0 271.360 3.203 20 10 CGCDRO Oc1cccc(C[NH2+][C@@H]2Cc3cccc(Cl)c3C2)c1O ZINC001168703653 807490540 /nfs/dbraw/zinc/49/05/40/807490540.db2.gz ISLISLVRHWOQKP-GFCCVEGCSA-N 1 0 289.762 3.008 20 10 CGCDRO CC[C@@H](C)C[C@H](CC)[NH2+]Cc1ccc(O)cc1O ZINC001258782253 807609343 /nfs/dbraw/zinc/60/93/43/807609343.db2.gz NDBDDDQNACWURW-YPMHNXCESA-N 1 0 251.370 3.402 20 10 CGCDRO COc1ccc([C@@H](C)[N@H+](C)Cc2ccc(N)cc2)cc1 ZINC001262486979 807867373 /nfs/dbraw/zinc/86/73/73/807867373.db2.gz GOFXSMFXJHPPQW-CYBMUJFWSA-N 1 0 270.376 3.470 20 10 CGCDRO C[C@H](CCCc1cccnc1)[NH2+]Cc1ccc(N)cc1 ZINC001262488001 807867435 /nfs/dbraw/zinc/86/74/35/807867435.db2.gz MTIGKMVLYXFSOG-CQSZACIVSA-N 1 0 269.392 3.165 20 10 CGCDRO C[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2C)c1ccccc1O ZINC001172105107 808173969 /nfs/dbraw/zinc/17/39/69/808173969.db2.gz GUNGJEUHPCLYJF-APIJFGDWSA-N 1 0 274.408 3.058 20 10 CGCDRO Oc1cccc2c1C[N@@H+]([C@H]1CSc3ccccc3C1)CC2 ZINC001172204372 808197790 /nfs/dbraw/zinc/19/77/90/808197790.db2.gz ARMQFPNUMIECBF-OAHLLOKOSA-N 1 0 297.423 3.467 20 10 CGCDRO CC[C@H](C)OCC[C@@H](C)[N@@H+]1CCc2cccc(O)c2C1 ZINC001172345057 808244227 /nfs/dbraw/zinc/24/42/27/808244227.db2.gz DNXZTSIRPUZEQW-KGLIPLIRSA-N 1 0 277.408 3.344 20 10 CGCDRO CCOC(=O)C[C@H]1CC[C@@H]([NH2+][C@H](C)c2ccccc2O)C1 ZINC001173636891 808657186 /nfs/dbraw/zinc/65/71/86/808657186.db2.gz PKKXQULJVXOVQU-HZSPNIEDSA-N 1 0 291.391 3.165 20 10 CGCDRO Cc1cc(C[N@H+]2C[C@@H]3CC=CC[C@@H]3C2)ccc1N(C)C ZINC001175436034 809404345 /nfs/dbraw/zinc/40/43/45/809404345.db2.gz CPCCCNUGKAZGSW-CALCHBBNSA-N 1 0 270.420 3.459 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCCC[C@]23CCOC3)cc1 ZINC001176978303 809772216 /nfs/dbraw/zinc/77/22/16/809772216.db2.gz QMZFUTLOBGGRKQ-GOSISDBHSA-N 1 0 288.435 3.288 20 10 CGCDRO CCO[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)C1 ZINC001177548563 809809064 /nfs/dbraw/zinc/80/90/64/809809064.db2.gz JMUWHNAIFBGAQQ-HUUCEWRRSA-N 1 0 294.414 3.329 20 10 CGCDRO CCOc1cccc(C[NH2+]Cc2ccc(N(C)C)cc2C)n1 ZINC001177803728 809823403 /nfs/dbraw/zinc/82/34/03/809823403.db2.gz FIUWLDHTFXZRJP-UHFFFAOYSA-N 1 0 299.418 3.145 20 10 CGCDRO C[C@@H](CCc1cccn1C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC001177854914 809826683 /nfs/dbraw/zinc/82/66/83/809826683.db2.gz DXRJOCWVVQHJID-AWEZNQCLSA-N 1 0 284.403 3.071 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc3cccnc3o2)c1 ZINC001179054845 809902254 /nfs/dbraw/zinc/90/22/54/809902254.db2.gz ZGXPQJZYUUQINR-NSHDSACASA-N 1 0 298.342 3.393 20 10 CGCDRO CN(C)c1cc(F)c(C[NH2+]CCC2CC=CC2)cc1F ZINC001179562791 809929409 /nfs/dbraw/zinc/92/94/09/809929409.db2.gz QSBIGVLNVNFTOV-UHFFFAOYSA-N 1 0 280.362 3.477 20 10 CGCDRO CCCN1CCC[C@H]1C[NH2+]Cc1ccc(Cl)cc1O ZINC001181591966 810060910 /nfs/dbraw/zinc/06/09/10/810060910.db2.gz WNOMZQAODFNSNO-AWEZNQCLSA-N 1 0 282.815 3.010 20 10 CGCDRO CC[C@@H](C)[C@@](C)(O)C[NH2+]Cc1c(C)c2ccccc2n1C ZINC001200459871 811695053 /nfs/dbraw/zinc/69/50/53/811695053.db2.gz NQNJWJOSANDGIK-ACJLOTCBSA-N 1 0 288.435 3.373 20 10 CGCDRO Oc1cc2c(cc1O)C[N@H+](CC1CCCCC1)CCC2 ZINC001201401730 811830746 /nfs/dbraw/zinc/83/07/46/811830746.db2.gz RYJXYTAHUDGJCQ-UHFFFAOYSA-N 1 0 275.392 3.426 20 10 CGCDRO CCCC[N@@H+]1CCc2c(c3cc(OC)ccc3n2C)C1 ZINC001201715219 811944441 /nfs/dbraw/zinc/94/44/41/811944441.db2.gz NKHWYDCCSNFSDK-UHFFFAOYSA-N 1 0 272.392 3.345 20 10 CGCDRO COc1ccc(C[NH2+][C@H](C2CCC2)[C@H]2CCCO2)cc1C ZINC001203270127 812285882 /nfs/dbraw/zinc/28/58/82/812285882.db2.gz HXAXLZJFHGCMBV-QZTJIDSGSA-N 1 0 289.419 3.441 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2ccccc2O)CCC1(F)F ZINC001203550041 812389885 /nfs/dbraw/zinc/38/98/85/812389885.db2.gz FZTPGZIVPLIVHG-LLVKDONJSA-N 1 0 255.308 3.259 20 10 CGCDRO Cc1cccnc1OC1CC[NH+](Cc2ccccc2O)CC1 ZINC001203562574 812395099 /nfs/dbraw/zinc/39/50/99/812395099.db2.gz MGAODBCVUPWLFP-UHFFFAOYSA-N 1 0 298.386 3.139 20 10 CGCDRO COc1cccc(C[N@@H+]2CCC[C@@](C)(F)CC2)c1O ZINC001203584872 812400204 /nfs/dbraw/zinc/40/02/04/812400204.db2.gz JDHVEMQDKNVVBE-OAHLLOKOSA-N 1 0 267.344 3.115 20 10 CGCDRO COc1ccc(C[N@H+](Cc2ccco2)C2CC2)c(O)c1 ZINC001203628917 812410522 /nfs/dbraw/zinc/41/05/22/812410522.db2.gz KTPBMSONXXJBRA-UHFFFAOYSA-N 1 0 273.332 3.158 20 10 CGCDRO C[C@@]1(CO)CCC[N@H+](Cc2cc(Cl)ccc2O)CC1 ZINC001203651831 812415003 /nfs/dbraw/zinc/41/50/03/812415003.db2.gz XOUGZUUUISRRJP-OAHLLOKOSA-N 1 0 283.799 3.030 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC001203657688 812418806 /nfs/dbraw/zinc/41/88/06/812418806.db2.gz MGLKRHTZMNKTAH-CYBMUJFWSA-N 1 0 288.778 3.430 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH+]1CC(c2cccnc2)C1 ZINC001203664179 812422244 /nfs/dbraw/zinc/42/22/44/812422244.db2.gz PXVHQOSDDWTKCL-UHFFFAOYSA-N 1 0 274.751 3.040 20 10 CGCDRO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001203727095 812443513 /nfs/dbraw/zinc/44/35/13/812443513.db2.gz GNSAWFPCSZWTQA-ADGXKJENSA-N 1 0 280.362 3.165 20 10 CGCDRO COc1cccc([C@@H]2CCC[N@@H+]2Cc2ccc(O)c(O)c2)c1 ZINC001203880538 812477813 /nfs/dbraw/zinc/47/78/13/812477813.db2.gz VFBBGBDUJAYMQD-INIZCTEOSA-N 1 0 299.370 3.444 20 10 CGCDRO C[C@H]1c2ccccc2CC[N@H+]1Cc1ccc(O)c(O)c1 ZINC001203875618 812478385 /nfs/dbraw/zinc/47/83/85/812478385.db2.gz RZNNKOMKVOSGSL-LBPRGKRZSA-N 1 0 269.344 3.217 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@](C)(F)CC2)cc1 ZINC001203930504 812495069 /nfs/dbraw/zinc/49/50/69/812495069.db2.gz WIEQSXPDZYLTGV-MRXNPFEDSA-N 1 0 264.388 3.467 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@]23CCOC3)cc1 ZINC001203942429 812498072 /nfs/dbraw/zinc/49/80/72/812498072.db2.gz QEZYFWKGGDTYLC-GOSISDBHSA-N 1 0 288.435 3.288 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](CO)C2)c2ccccc21 ZINC001204232893 812579720 /nfs/dbraw/zinc/57/97/20/812579720.db2.gz LFRJDPVWNJTXIM-HNNXBMFYSA-N 1 0 298.430 3.110 20 10 CGCDRO c1cc(N2CCCC2)ccc1C[N@@H+]1CCC[C@]12CCOC2 ZINC001204321185 812612909 /nfs/dbraw/zinc/61/29/09/812612909.db2.gz HOYDXDBXUBWFBR-GOSISDBHSA-N 1 0 286.419 3.042 20 10 CGCDRO O=C1CCC[C@H]2C[N@H+](Cc3ccc(N4CCCC4)cc3)C[C@@H]12 ZINC001204329335 812614362 /nfs/dbraw/zinc/61/43/62/812614362.db2.gz MQRTVHZDHJLQGV-FUHWJXTLSA-N 1 0 298.430 3.088 20 10 CGCDRO Cc1cc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)oc1C ZINC001204539283 812671470 /nfs/dbraw/zinc/67/14/70/812671470.db2.gz NKGDJDVJWNYNQQ-UHFFFAOYSA-N 1 0 287.359 3.256 20 10 CGCDRO Cc1ccc2c(c1)C[N@@H+](Cc1ccc(N)cc1)CC2 ZINC001205164846 812896115 /nfs/dbraw/zinc/89/61/15/812896115.db2.gz SURBAIJUPAXYMV-UHFFFAOYSA-N 1 0 252.361 3.136 20 10 CGCDRO Cc1ccc(C[NH2+][C@H]2CCc3ccccc3OC2)c(O)c1 ZINC001205517715 812994123 /nfs/dbraw/zinc/99/41/23/812994123.db2.gz VGQGWHFOOTWPQQ-INIZCTEOSA-N 1 0 283.371 3.184 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2C[C@@H](C)CC[C@H]2CN)c(O)c1 ZINC001205856291 813109593 /nfs/dbraw/zinc/10/95/93/813109593.db2.gz UMTYLAPYBZGEFI-BBRMVZONSA-N 1 0 276.424 3.075 20 10 CGCDRO CC[N@H+](Cc1sc(C)nc1C)Cc1ccccc1O ZINC001206185125 813232182 /nfs/dbraw/zinc/23/21/82/813232182.db2.gz DHGFIARUISFJEJ-UHFFFAOYSA-N 1 0 276.405 3.488 20 10 CGCDRO CC[N@@H+](Cc1ccccc1O)CC1CCSCC1 ZINC001207755216 813645692 /nfs/dbraw/zinc/64/56/92/813645692.db2.gz ATYMTLZDQGTGIB-UHFFFAOYSA-N 1 0 265.422 3.357 20 10 CGCDRO CC[N@H+](CCc1ccc2c(c1)CCO2)Cc1ccccc1O ZINC001209149270 813948028 /nfs/dbraw/zinc/94/80/28/813948028.db2.gz VJNCJKVEWQXILD-UHFFFAOYSA-N 1 0 297.398 3.392 20 10 CGCDRO CO[C@H]1CC[N@H+](Cc2ccc(-n3c(C)ccc3C)cc2)C1 ZINC001209516875 814071953 /nfs/dbraw/zinc/07/19/53/814071953.db2.gz RJQOSXVALIGLDR-SFHVURJKSA-N 1 0 284.403 3.315 20 10 CGCDRO CCCC[C@@H](C)Oc1ccc(N2CC[NH2+]CC2)cc1 ZINC001218222699 816131725 /nfs/dbraw/zinc/13/17/25/816131725.db2.gz FMDKJDHJQBRPKM-CQSZACIVSA-N 1 0 262.397 3.054 20 10 CGCDRO CC[C@@H](Oc1ccc(N2CC[NH2+]CC2)cc1)C(C)(C)C ZINC001218293602 816155628 /nfs/dbraw/zinc/15/56/28/816155628.db2.gz JXTMHDCLYMRRBC-MRXNPFEDSA-N 1 0 276.424 3.300 20 10 CGCDRO Cc1cc(O)c(CN2CCC[C@]3(CCC[NH2+]3)C2)cc1Cl ZINC001222353734 816417578 /nfs/dbraw/zinc/41/75/78/816417578.db2.gz GJZLQWXFXHMOHX-MRXNPFEDSA-N 1 0 294.826 3.072 20 10 CGCDRO CC(C)c1ccc(CN2CCC[C@]3(CCC[NH2+]3)C2)c(O)c1 ZINC001222360559 816418987 /nfs/dbraw/zinc/41/89/87/816418987.db2.gz RYCVEBHWVJWUNU-GOSISDBHSA-N 1 0 288.435 3.234 20 10 CGCDRO Oc1ccc(Cl)cc1CN1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222385705 816427336 /nfs/dbraw/zinc/42/73/36/816427336.db2.gz UUVMXWLIUNRINC-INIZCTEOSA-N 1 0 294.826 3.154 20 10 CGCDRO CN(C)c1ccc(O[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001227940870 817760515 /nfs/dbraw/zinc/76/05/15/817760515.db2.gz PBYNWJLVRXSZHJ-LJQANCHMSA-N 1 0 296.414 3.406 20 10 CGCDRO Oc1ccc2ccccc2c1C[N@@H+]1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001231587006 818130242 /nfs/dbraw/zinc/13/02/42/818130242.db2.gz PESHWAKZWQHYRS-NOLJZWGESA-N 1 0 271.335 3.335 20 10 CGCDRO Cc1cccc(CN2CCC[C@H](F)C(F)(F)C2)c1O ZINC001231590995 818131152 /nfs/dbraw/zinc/13/11/52/818131152.db2.gz NFOIUPVOZYIRGY-LBPRGKRZSA-N 1 0 273.298 3.270 20 10 CGCDRO Cc1cc(O)c(CN(C)CCC[NH+]2CCCC2)cc1Cl ZINC001231870534 818194145 /nfs/dbraw/zinc/19/41/45/818194145.db2.gz HTHWBNCMHNMOJV-UHFFFAOYSA-N 1 0 296.842 3.272 20 10 CGCDRO CC[C@@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232195860 818274894 /nfs/dbraw/zinc/27/48/94/818274894.db2.gz ZYGJKDOGNJIIIC-CYBMUJFWSA-N 1 0 296.842 3.407 20 10 CGCDRO Oc1cc(O)c(C[N@H+](CC2CC2)C2CC2)cc1Cl ZINC001232263751 818296978 /nfs/dbraw/zinc/29/69/78/818296978.db2.gz VIXCIFMKXLMCSN-UHFFFAOYSA-N 1 0 267.756 3.126 20 10 CGCDRO COc1cc(O)c(C[N@H+](C)C[C@@H]2CCCCO2)cc1Cl ZINC001232264932 818297497 /nfs/dbraw/zinc/29/74/97/818297497.db2.gz OOEXTUNFKQHBBT-LBPRGKRZSA-N 1 0 299.798 3.055 20 10 CGCDRO COc1cc(O)c(C[N@H+](C)C2CC(F)(F)C2)cc1Cl ZINC001232266886 818298497 /nfs/dbraw/zinc/29/84/97/818298497.db2.gz RZTRCSZQCCKDCW-UHFFFAOYSA-N 1 0 291.725 3.284 20 10 CGCDRO CCOc1ncc(C[N@H+](C)Cc2ccccc2O)cc1C ZINC001232306818 818311304 /nfs/dbraw/zinc/31/13/04/818311304.db2.gz IFADUKOEPOQCMU-UHFFFAOYSA-N 1 0 286.375 3.126 20 10 CGCDRO Cc1cccc2c1CC[N@@H+](Cc1ccc(N(C)C)cc1O)C2 ZINC001232834795 818452044 /nfs/dbraw/zinc/45/20/44/818452044.db2.gz MXCPTRVZHZFALA-UHFFFAOYSA-N 1 0 296.414 3.325 20 10 CGCDRO C[C@@H]1CCCCC[N@@H+]1Cc1ccc(N(C)C)cc1O ZINC001232839151 818453518 /nfs/dbraw/zinc/45/35/18/818453518.db2.gz MGZPNZLJCXFAAM-CYBMUJFWSA-N 1 0 262.397 3.223 20 10 CGCDRO CC[N@H+](Cc1ccccc1O)Cc1ccc(F)c([O-])c1F ZINC001232936777 818477464 /nfs/dbraw/zinc/47/74/64/818477464.db2.gz GHYIVVBMLCDESJ-UHFFFAOYSA-N 1 0 293.313 3.398 20 10 CGCDRO CCC[N@H+](C)Cc1c2ccccc2n(C)c1C(=O)OCC ZINC001233270720 818560470 /nfs/dbraw/zinc/56/04/70/818560470.db2.gz XSZRFSLSWDZBMW-UHFFFAOYSA-N 1 0 288.391 3.197 20 10 CGCDRO C[C@H]1CC[C@@H](CO)[N@@H+]1Cc1cc(C(C)(C)C)ccc1O ZINC001233284057 818566029 /nfs/dbraw/zinc/56/60/29/818566029.db2.gz GOOGVTPHRNQDRX-WFASDCNBSA-N 1 0 277.408 3.035 20 10 CGCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CCC[C@@](C)(O)CC2)c1 ZINC001233284055 818566299 /nfs/dbraw/zinc/56/62/99/818566299.db2.gz GMGRLIAKCKLBLK-GOSISDBHSA-N 1 0 291.435 3.427 20 10 CGCDRO CC[C@@H]1COCC[N@@H+]1Cc1cc(C(C)(C)C)ccc1O ZINC001233287099 818567167 /nfs/dbraw/zinc/56/71/67/818567167.db2.gz WKXVHNBSONAMBX-OAHLLOKOSA-N 1 0 277.408 3.301 20 10 CGCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CCCC3(COC3)C2)c1 ZINC001233284537 818567776 /nfs/dbraw/zinc/56/77/76/818567776.db2.gz YVFUJVNQIZOQKE-UHFFFAOYSA-N 1 0 289.419 3.302 20 10 CGCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CCOC(C)(C)C2)c1 ZINC001233284374 818567910 /nfs/dbraw/zinc/56/79/10/818567910.db2.gz RZZUSXUXPBHJBT-UHFFFAOYSA-N 1 0 277.408 3.301 20 10 CGCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@H]2c2ccccc2)cc1O ZINC001233485186 818624770 /nfs/dbraw/zinc/62/47/70/818624770.db2.gz MDXMJGHTJCHGEZ-AWEZNQCLSA-N 1 0 285.343 3.141 20 10 CGCDRO CC[C@@H](c1ccccc1)[N@H+](C)Cc1cc(O)c(O)cc1O ZINC001233486459 818625086 /nfs/dbraw/zinc/62/50/86/818625086.db2.gz NRFKGJZJKKWLRF-AWEZNQCLSA-N 1 0 287.359 3.387 20 10 CGCDRO CCC[N@H+](C)Cc1cccc(OC(F)(F)F)c1O ZINC001233728650 818692003 /nfs/dbraw/zinc/69/20/03/818692003.db2.gz YBXBFYYUMIYEFB-UHFFFAOYSA-N 1 0 263.259 3.133 20 10 CGCDRO Oc1c(C[N@@H+]2CCC[C@H]3C[C@H]32)cccc1OC(F)(F)F ZINC001233768566 818702094 /nfs/dbraw/zinc/70/20/94/818702094.db2.gz UUCCQTDHLVLDOW-GXSJLCMTSA-N 1 0 287.281 3.275 20 10 CGCDRO Cc1cnc(F)c(CN(C)Cc2ccc(N(C)C)cc2)c1 ZINC001235344772 819073296 /nfs/dbraw/zinc/07/32/96/819073296.db2.gz DHMXIHHILGMESB-UHFFFAOYSA-N 1 0 287.382 3.227 20 10 CGCDRO [NH3+]CC[C@@H]1CCCN1Cc1c(O)ccc(Cl)c1Cl ZINC001235925220 819224492 /nfs/dbraw/zinc/22/44/92/819224492.db2.gz FWABKMHBWQQRKT-VIFPVBQESA-N 1 0 289.206 3.012 20 10 CGCDRO [NH3+]CC[C@@H]1CCCN1Cc1cc(Cl)c(Cl)cc1O ZINC001235925896 819225097 /nfs/dbraw/zinc/22/50/97/819225097.db2.gz RCJCQCILGIECNP-JTQLQIEISA-N 1 0 289.206 3.012 20 10 CGCDRO CCN(Cc1cc(C)n(-c2ccccc2)c1C)[C@@H]1CC[NH2+]C1 ZINC001235971218 819254919 /nfs/dbraw/zinc/25/49/19/819254919.db2.gz SFELSEGJUORATO-LJQANCHMSA-N 1 0 297.446 3.278 20 10 CGCDRO C[C@@H]1C[C@@H]([NH3+])CN(Cc2cccc(-c3ccccc3)c2O)C1 ZINC001236053039 819289529 /nfs/dbraw/zinc/28/95/29/819289529.db2.gz XREMCKAVXGODRW-RHSMWYFYSA-N 1 0 296.414 3.228 20 10 CGCDRO CCC[C@H]1CN(Cc2ccc(N(CC)CC)cc2)CC[NH2+]1 ZINC001236178436 819356941 /nfs/dbraw/zinc/35/69/41/819356941.db2.gz NNQXLVSGESXMDH-KRWDZBQOSA-N 1 0 289.467 3.107 20 10 CGCDRO c1cc(N2CCCC2)ccc1CN1CCC[C@H]([NH2+]C2CC2)C1 ZINC001236216523 819380666 /nfs/dbraw/zinc/38/06/66/819380666.db2.gz PYYZMUXAYBCTBV-SFHVURJKSA-N 1 0 299.462 3.003 20 10 CGCDRO Cc1cc(O)c(CN(C2CC2)[C@H]2CCC[NH2+]C2)cc1Cl ZINC001236239298 819398849 /nfs/dbraw/zinc/39/88/49/819398849.db2.gz GLYFNVDRSFGBFC-AWEZNQCLSA-N 1 0 294.826 3.070 20 10 CGCDRO CCc1ccc(C[N@H+](CCCCCO)C(C)C)c(O)c1 ZINC001236787900 819594549 /nfs/dbraw/zinc/59/45/49/819594549.db2.gz MBGGHPZSGMANBC-UHFFFAOYSA-N 1 0 279.424 3.328 20 10 CGCDRO CCc1ccc(C[N@@H+]2CCc3ncc(C)cc3C2)c(O)c1 ZINC001236786966 819595196 /nfs/dbraw/zinc/59/51/96/819595196.db2.gz FVNVBQOPFREKQK-UHFFFAOYSA-N 1 0 282.387 3.216 20 10 CGCDRO CCc1ccc(C[NH+]2CCC(C(F)F)CC2)c(O)c1 ZINC001236793761 819597104 /nfs/dbraw/zinc/59/71/04/819597104.db2.gz FHDCEKYDGDALRY-UHFFFAOYSA-N 1 0 269.335 3.432 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CCCC23CC3)c(Cl)c1 ZINC001236799629 819599764 /nfs/dbraw/zinc/59/97/64/819599764.db2.gz TWKSSMJYEVYGGF-UHFFFAOYSA-N 1 0 267.756 3.183 20 10 CGCDRO COc1cc(O)c(C[N@H+]2CC[C@@H](OC)C[C@H]2C)c(Cl)c1 ZINC001236805406 819602453 /nfs/dbraw/zinc/60/24/53/819602453.db2.gz FSINOCIGESBCTR-GHMZBOCLSA-N 1 0 299.798 3.054 20 10 CGCDRO OC[C@H]1CCC[N@H+](Cc2cc3ccccc3cc2O)CC1 ZINC001236827893 819609381 /nfs/dbraw/zinc/60/93/81/819609381.db2.gz WCLSWQZSTATDSF-AWEZNQCLSA-N 1 0 285.387 3.140 20 10 CGCDRO CCN1CC[N@H+](Cc2cc3ccccc3cc2O)C[C@H]1C ZINC001236834632 819613112 /nfs/dbraw/zinc/61/31/12/819613112.db2.gz CJMNULZJMIMCFK-CQSZACIVSA-N 1 0 284.403 3.071 20 10 CGCDRO Oc1cc2ccccc2cc1C[N@@H+]1CC[C@@H](N2CCCC2)C1 ZINC001236839385 819616520 /nfs/dbraw/zinc/61/65/20/819616520.db2.gz FXQWDLANUZJGIT-GOSISDBHSA-N 1 0 296.414 3.216 20 10 CGCDRO CC(C)[C@@H]1C[N@H+](Cc2cc3ccccc3cc2O)CCO1 ZINC001236837092 819617321 /nfs/dbraw/zinc/61/73/21/819617321.db2.gz NGKPRZQJKMKLER-SFHVURJKSA-N 1 0 285.387 3.402 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2CCC[C@@H](CO)CC2)c(O)c1 ZINC001237044875 819650326 /nfs/dbraw/zinc/65/03/26/819650326.db2.gz FEXIXKILWANAEB-CQSZACIVSA-N 1 0 277.408 3.110 20 10 CGCDRO CC[NH+](CC)Cc1c(O)cc(OC)cc1Br ZINC001237063945 819656942 /nfs/dbraw/zinc/65/69/42/819656942.db2.gz VLULLBWYAYGLQC-UHFFFAOYSA-N 1 0 288.185 3.005 20 10 CGCDRO CO[C@H]1CC[N@H+](Cc2c(O)ccc(F)c2Cl)[C@H](C)C1 ZINC001237128548 819675621 /nfs/dbraw/zinc/67/56/21/819675621.db2.gz RKXRXWGKQSLYGG-ZJUUUORDSA-N 1 0 287.762 3.184 20 10 CGCDRO CC[N@@H+](Cc1ccccc1O)CC1OC=CC1=S ZINC001237181839 819690201 /nfs/dbraw/zinc/69/02/01/819690201.db2.gz GUVQBUBQYTZETL-UHFFFAOYSA-N 1 0 263.362 3.296 20 10 CGCDRO Cc1cccc(O)c1C[NH+]1CCN(c2ccccc2)CC1 ZINC001237483954 819762445 /nfs/dbraw/zinc/76/24/45/819762445.db2.gz WMWDHJKVVCBGRD-UHFFFAOYSA-N 1 0 282.387 3.023 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@H]1c1nccs1 ZINC001237486984 819762645 /nfs/dbraw/zinc/76/26/45/819762645.db2.gz FDLMQUKOKAHXKA-ZDUSSCGKSA-N 1 0 274.389 3.494 20 10 CGCDRO Cc1coc(CN(C)Cc2ccc(N3CCCC3)cc2)n1 ZINC001237647598 819797017 /nfs/dbraw/zinc/79/70/17/819797017.db2.gz XABUNHFSWPJVLQ-UHFFFAOYSA-N 1 0 285.391 3.215 20 10 CGCDRO COc1cc(C[N@@H+]2CCC[C@H]3CCC[C@H]32)c(O)c(OC)c1 ZINC001237678633 819803393 /nfs/dbraw/zinc/80/33/93/819803393.db2.gz QGTLBCKFRQWWQF-IUODEOHRSA-N 1 0 291.391 3.174 20 10 CGCDRO COc1cc(C[N@@H+]2CCC[C@H](C)[C@H]2C)c(O)c(OC)c1 ZINC001237676538 819803824 /nfs/dbraw/zinc/80/38/24/819803824.db2.gz PQABHDJFJFGXCW-NWDGAFQWSA-N 1 0 279.380 3.030 20 10 CGCDRO COc1cc(C[N@@H+]2CC[C@@H]3CCC[C@H]3C2)c(O)c(OC)c1 ZINC001237670232 819803858 /nfs/dbraw/zinc/80/38/58/819803858.db2.gz QYLZWFWGYDIISW-STQMWFEESA-N 1 0 291.391 3.031 20 10 CGCDRO COc1cc(C[NH+]2C[C@H]3CCCC[C@@H]3C2)c(O)c(OC)c1 ZINC001237671488 819803930 /nfs/dbraw/zinc/80/39/30/819803930.db2.gz CEXWIMAZDLMWTE-CHWSQXEVSA-N 1 0 291.391 3.031 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@@]3(C2)CCCCO3)c1O ZINC001237682186 819805232 /nfs/dbraw/zinc/80/52/32/819805232.db2.gz ZUNWHCCESOVIQU-MRXNPFEDSA-N 1 0 295.810 3.499 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@H]3CCCO[C@@H]3C2)c1O ZINC001237679949 819806545 /nfs/dbraw/zinc/80/65/45/819806545.db2.gz MSZPULHEGAOTGH-IUODEOHRSA-N 1 0 295.810 3.355 20 10 CGCDRO [O-]c1cc(Cl)c(F)cc1C[N@@H+]1CC[C@]2(C1)CCCCO2 ZINC001237933549 819885788 /nfs/dbraw/zinc/88/57/88/819885788.db2.gz CHMHQLKZWUHRED-HNNXBMFYSA-N 1 0 299.773 3.330 20 10 CGCDRO Cc1cc(F)cc(C[NH+]2CCC3(CCOCC3)CC2)c1O ZINC001238065743 819922691 /nfs/dbraw/zinc/92/26/91/819922691.db2.gz AFEJDEUBQVWLOJ-UHFFFAOYSA-N 1 0 293.382 3.232 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(C2=CCC[NH2+]CC2)cn1 ZINC001238940965 820162541 /nfs/dbraw/zinc/16/25/41/820162541.db2.gz FOSPNRUKGANSEO-UHFFFAOYSA-N 1 0 267.376 3.256 20 10 CGCDRO Nc1cccc(C[NH2+]Cc2ccc(N3CCCC3)cc2)c1 ZINC001350006146 936973584 /nfs/dbraw/zinc/97/35/84/936973584.db2.gz LPZHDIYZDFWNLY-UHFFFAOYSA-N 1 0 281.403 3.159 20 10 CGCDRO CCCN(CC[NH+](CC)CC)Cc1ccc(N(C)C)cc1 ZINC001459920004 937506673 /nfs/dbraw/zinc/50/66/73/937506673.db2.gz BLXNQJSCUFRFHG-UHFFFAOYSA-N 1 0 291.483 3.306 20 10 CGCDRO Cc1ccc(C)c(C[N@@H+]2CCCC[C@H](F)C2)c1O ZINC001140178394 931956774 /nfs/dbraw/zinc/95/67/74/931956774.db2.gz KKYPUQOJOQMRJG-ZDUSSCGKSA-N 1 0 251.345 3.333 20 10 CGCDRO Cc1ccc(C)c(C[N@@H+]2CCCC[C@@H](F)C2)c1O ZINC001140178393 931957250 /nfs/dbraw/zinc/95/72/50/931957250.db2.gz KKYPUQOJOQMRJG-CYBMUJFWSA-N 1 0 251.345 3.333 20 10 CGCDRO CCCCN(C)CC[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC001461180049 937568000 /nfs/dbraw/zinc/56/80/00/937568000.db2.gz PMRZFLWIPNFSLA-BQYQJAHWSA-N 1 0 289.467 3.087 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@]2(C)CC2(C)C)cc1F ZINC001461647502 937590721 /nfs/dbraw/zinc/59/07/21/937590721.db2.gz INLXULZWMFCTGF-HNNXBMFYSA-N 1 0 250.361 3.170 20 10 CGCDRO [O-]c1cc(F)c(F)cc1C[NH2+]CCC[C@@H]1CCCCO1 ZINC001462046404 937614441 /nfs/dbraw/zinc/61/44/41/937614441.db2.gz FHDTVFLJZZSFHV-LBPRGKRZSA-N 1 0 285.334 3.109 20 10 CGCDRO Cc1cc(C[N@@H+]2CC(C)(C)CC[C@H]2CO)ccc1N(C)C ZINC001307955111 933026235 /nfs/dbraw/zinc/02/62/35/933026235.db2.gz WTMJDAGRZAQRJB-INIZCTEOSA-N 1 0 290.451 3.044 20 10 CGCDRO CC(C)C[C@@H](C[NH2+]Cc1ccc2c(c1)CCCO2)N(C)C ZINC001308193350 933069619 /nfs/dbraw/zinc/06/96/19/933069619.db2.gz VNWCUQMVVRCMTG-KRWDZBQOSA-N 1 0 290.451 3.078 20 10 CGCDRO CCOCc1cc(C[NH2+][C@H](C)CCSC)ccc1OC ZINC001308277985 933087741 /nfs/dbraw/zinc/08/77/41/933087741.db2.gz UCEUVYIZJCUDFZ-CYBMUJFWSA-N 1 0 297.464 3.463 20 10 CGCDRO CCCOc1ccc(C[NH2+]C2(COC)CCC2)cc1C ZINC001308401531 933106356 /nfs/dbraw/zinc/10/63/56/933106356.db2.gz QFKUVINITPLUPN-UHFFFAOYSA-N 1 0 277.408 3.443 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+][C@H]2CCOC[C@H]2C)c1 ZINC001308683076 933157493 /nfs/dbraw/zinc/15/74/93/933157493.db2.gz AORSJXTVAHOKRO-DOMZBBRYSA-N 1 0 263.381 3.030 20 10 CGCDRO CC[C@H]1CC[N@H+](Cc2c(C)cc(OC)cc2O)[C@@H]1C ZINC001308706218 933163620 /nfs/dbraw/zinc/16/36/20/933163620.db2.gz TWHXWSUDECLVHF-OLZOCXBDSA-N 1 0 263.381 3.330 20 10 CGCDRO Oc1cc(Cl)ccc1C[NH2+]C[C@H]1CC[C@@H](C2CC2)O1 ZINC001308961663 933214278 /nfs/dbraw/zinc/21/42/78/933214278.db2.gz ZVPGSXJYHGYCHY-HIFRSBDPSA-N 1 0 281.783 3.093 20 10 CGCDRO Cc1cc(C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)[nH]n1 ZINC001319687618 933915670 /nfs/dbraw/zinc/91/56/70/933915670.db2.gz PGBRXGBLZAVHJF-UHFFFAOYSA-N 1 0 286.423 3.195 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CCN1CCC[C@H]1C ZINC001320118367 934003133 /nfs/dbraw/zinc/00/31/33/934003133.db2.gz JKUMFBHSZCOUQI-KFWWJZLASA-N 1 0 288.435 3.323 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CCn2ccnc2C1 ZINC001324228977 934473879 /nfs/dbraw/zinc/47/38/79/934473879.db2.gz YAHUUJUJHPYSFQ-MCIONIFRSA-N 1 0 297.402 3.050 20 10 CGCDRO COc1cccnc1C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC001324551331 934523705 /nfs/dbraw/zinc/52/37/05/934523705.db2.gz PBRWPTLFKNKRAT-OLZOCXBDSA-N 1 0 298.386 3.442 20 10 CGCDRO C[C@@H]([NH2+]Cc1cc2ccccc2[nH]c1=O)c1ccccc1O ZINC001473722845 937818599 /nfs/dbraw/zinc/81/85/99/937818599.db2.gz QCSMFTGMEXKKLZ-GFCCVEGCSA-N 1 0 294.354 3.497 20 10 CGCDRO CCOc1cccc(C[NH2+]C2CC3(CC3(F)F)C2)c1O ZINC001327845984 935088841 /nfs/dbraw/zinc/08/88/41/935088841.db2.gz SPOKAOAONAGIDO-UHFFFAOYSA-N 1 0 283.318 3.068 20 10 CGCDRO CCc1cccc(C[NH2+]C2CC3(CC3(F)F)C2)c1O ZINC001327902727 935096903 /nfs/dbraw/zinc/09/69/03/935096903.db2.gz NAYUDQHMZYZZNC-UHFFFAOYSA-N 1 0 267.319 3.232 20 10 CGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H](OCC)C1CC1 ZINC001328835280 935172445 /nfs/dbraw/zinc/17/24/45/935172445.db2.gz VTVQSEWVWDPIHC-QGZVFWFLSA-N 1 0 277.408 3.419 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@H]1CC[NH2+]C12CCC2 ZINC001329150541 935191443 /nfs/dbraw/zinc/19/14/43/935191443.db2.gz YNBXVPLVQMVJTG-IPYPFGDCSA-N 1 0 286.419 3.123 20 10 CGCDRO c1cc(N2CCCC2)ccc1C[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC001330780433 935321708 /nfs/dbraw/zinc/32/17/08/935321708.db2.gz SLGGABKEPXQOIA-HZPDHXFCSA-N 1 0 256.393 3.129 20 10 CGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H](CF)C1)CCC2 ZINC001331478783 935384077 /nfs/dbraw/zinc/38/40/77/935384077.db2.gz SVPDIXWZFCJUQM-GFCCVEGCSA-N 1 0 263.356 3.062 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H]1C[C@@H](C)n2ncnc21 ZINC001333321376 935526143 /nfs/dbraw/zinc/52/61/43/935526143.db2.gz JAMWSPUPUOORIV-NDBYEHHHSA-N 1 0 298.390 3.136 20 10 CGCDRO CO[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001334327495 936097639 /nfs/dbraw/zinc/09/76/39/936097639.db2.gz RTMJPCRLVCFAPA-CRAIPNDOSA-N 1 0 288.435 3.286 20 10 CGCDRO CCOc1ncccc1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001335151024 936132089 /nfs/dbraw/zinc/13/20/89/936132089.db2.gz QRFLBWLDXFQHFW-UHFFFAOYSA-N 1 0 298.386 3.095 20 10 CGCDRO Cc1csc([C@H]2CC[N@H+](Cc3ccc(N)cc3)C2)n1 ZINC001337838584 936293504 /nfs/dbraw/zinc/29/35/04/936293504.db2.gz PTYRWSAYGBREPP-ZDUSSCGKSA-N 1 0 273.405 3.023 20 10 CGCDRO CO[C@@H](C[NH2+]Cc1ccc2c(c1)CCCO2)c1ccccc1 ZINC001473953282 937832153 /nfs/dbraw/zinc/83/21/53/937832153.db2.gz KNUGNEOFJWVNNO-IBGZPJMESA-N 1 0 297.398 3.489 20 10 CGCDRO C[C@@H](CCc1cccn1C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001474003679 937835003 /nfs/dbraw/zinc/83/50/03/937835003.db2.gz ZTKWERNUQJSXOK-HNNXBMFYSA-N 1 0 298.430 3.461 20 10 CGCDRO CO[C@@H]1C[C@H]([NH2+]C/C=C\c2ccc(N(C)C)cc2)C1(C)C ZINC001474034960 937837058 /nfs/dbraw/zinc/83/70/58/937837058.db2.gz DQYCVZLRZLCDNL-QVOWHETESA-N 1 0 288.435 3.169 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc3n[nH]cc32)c1 ZINC001474195735 937843564 /nfs/dbraw/zinc/84/35/64/937843564.db2.gz CMUBWESFGADFMV-LLVKDONJSA-N 1 0 297.358 3.128 20 10 CGCDRO Oc1cccc(Br)c1C[NH2+][C@@H]1C[C@@H]2CCC[C@H]12 ZINC001474295140 937848870 /nfs/dbraw/zinc/84/88/70/937848870.db2.gz WRKXGBINRJHWMK-OUJBWJOFSA-N 1 0 296.208 3.433 20 10 CGCDRO OC[C@H](C[NH2+]Cc1ccc(Cl)cc1O)CC1CCCC1 ZINC001474478658 937862217 /nfs/dbraw/zinc/86/22/17/937862217.db2.gz GKTCGZOCOUTMRS-ZDUSSCGKSA-N 1 0 297.826 3.324 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCCC[C@@H]1F ZINC001474658199 937873108 /nfs/dbraw/zinc/87/31/08/937873108.db2.gz FZDQARPYMDAJTN-JKSUJKDBSA-N 1 0 264.388 3.431 20 10 CGCDRO COc1cc(C)c(C[NH2+]CC2(OC(C)C)CCC2)c(O)c1 ZINC001474696074 937875675 /nfs/dbraw/zinc/87/56/75/937875675.db2.gz CWHYWIOCNXDPPV-UHFFFAOYSA-N 1 0 293.407 3.147 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@H]2CC[C@H](OC)C2)cc1C ZINC001560441327 938258681 /nfs/dbraw/zinc/25/86/81/938258681.db2.gz YEGQEGCWDYJULT-HOTGVXAUSA-N 1 0 277.408 3.441 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CC[C@@H](C3CC3)O2)c(Cl)c1 ZINC001560605734 938265056 /nfs/dbraw/zinc/26/50/56/938265056.db2.gz WKOAIBMNZXOSJO-LRDDRELGSA-N 1 0 295.810 3.401 20 10 CGCDRO c1cc2c(cc1C[NH2+][C@@H]1C[C@H]3CCC[C@H]31)CCCO2 ZINC001560615367 938265863 /nfs/dbraw/zinc/26/58/63/938265863.db2.gz NSPADDPLQBIPRU-FVQBIDKESA-N 1 0 257.377 3.290 20 10 CGCDRO Cc1ccc(C[N@H+]2CCN(C)CC23CCCCC3)c(O)c1 ZINC001560646977 938267683 /nfs/dbraw/zinc/26/76/83/938267683.db2.gz MTQRSQNJYNMXCE-UHFFFAOYSA-N 1 0 288.435 3.151 20 10 CGCDRO CC(C)OC(=O)[C@@H](C)N(C)Cc1cc(C(C)C)ccc1O ZINC001560666238 938268859 /nfs/dbraw/zinc/26/88/59/938268859.db2.gz AUEGUTHEBGXVHT-CYBMUJFWSA-N 1 0 293.407 3.288 20 10 CGCDRO COc1cc(C)c(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)C2)c(O)c1 ZINC001560901521 938282852 /nfs/dbraw/zinc/28/28/52/938282852.db2.gz VQZVNXHXHPVGEI-XBXGTLAGSA-N 1 0 293.407 3.145 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+][C@H]2CCN(C(C)(C)C)C2)c1 ZINC001560929147 938284513 /nfs/dbraw/zinc/28/45/13/938284513.db2.gz ODKPJYNKWNZREH-INIZCTEOSA-N 1 0 290.451 3.478 20 10 CGCDRO CCCOc1ccc(CNC[C@H]2CCCC[NH2+]2)cc1C ZINC001577586371 962557525 /nfs/dbraw/zinc/55/75/25/962557525.db2.gz RTUZAJHQDSKMIO-MRXNPFEDSA-N 1 0 276.424 3.016 20 10 CGCDRO CO[C@@H](c1ccccc1)[C@H](C)[NH2+]Cc1ccc(N)cc1 ZINC001578920830 962599775 /nfs/dbraw/zinc/59/97/75/962599775.db2.gz SVFXETXXDIFBJW-SUMWQHHRSA-N 1 0 270.376 3.135 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CC[C@H]2CCC[NH2+]CC2)c(Cl)c1 ZINC001579638456 962645241 /nfs/dbraw/zinc/64/52/41/962645241.db2.gz XYBSREONYYRJNU-ZDUSSCGKSA-N 1 0 296.842 3.223 20 10 CGCDRO Cc1ccc(C[NH2+]CC[C@H]2CNc3ccccc32)c(O)c1 ZINC001579696799 962658239 /nfs/dbraw/zinc/65/82/39/962658239.db2.gz GBYBXBFFQRURLO-AWEZNQCLSA-N 1 0 282.387 3.390 20 10 CGCDRO Nc1ccc(C[NH2+][C@H]2CCCN(c3ccccc3)C2)cc1 ZINC001580445525 962728038 /nfs/dbraw/zinc/72/80/38/962728038.db2.gz HZOVESNSTGDBLQ-KRWDZBQOSA-N 1 0 281.403 3.027 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](C)c2cccnc2)cc1C ZINC000035052697 344941773 /nfs/dbraw/zinc/94/17/73/344941773.db2.gz MXSONOOMRUDKMP-ZDUSSCGKSA-N 1 0 256.349 3.249 20 10 CGCDRO Cc1cnccc1CC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000090847079 345796077 /nfs/dbraw/zinc/79/60/77/345796077.db2.gz NSNCMWNXGAYFMD-HNNXBMFYSA-N 1 0 283.419 3.349 20 10 CGCDRO Cc1ccc(O)c(C[N@H+](CCO)[C@@H]2CCc3ccccc32)c1 ZINC000093388028 345876538 /nfs/dbraw/zinc/87/65/38/345876538.db2.gz GMHOQLPUJGTCLT-GOSISDBHSA-N 1 0 297.398 3.182 20 10 CGCDRO COc1cccc(C[NH2+]CCC2=CCCCC2)c1O ZINC000020093677 368800739 /nfs/dbraw/zinc/80/07/39/368800739.db2.gz YEOUHRHKCXRBRW-UHFFFAOYSA-N 1 0 261.365 3.381 20 10 CGCDRO C[C@@H]([NH2+]C[C@H](c1ccccc1)N(C)C)c1ccccc1O ZINC000020093962 368801024 /nfs/dbraw/zinc/80/10/24/368801024.db2.gz DTPMLBOLCLSPLZ-RHSMWYFYSA-N 1 0 284.403 3.346 20 10 CGCDRO CC[C@H]([NH2+][C@H](COC)C1CC1)c1ccc(N(C)C)cc1 ZINC000090717405 370064445 /nfs/dbraw/zinc/06/44/45/370064445.db2.gz BVFRQBOSIOBAQK-DLBZAZTESA-N 1 0 276.424 3.218 20 10 CGCDRO C[C@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccccc1O ZINC000134790319 371365313 /nfs/dbraw/zinc/36/53/13/371365313.db2.gz KONUQGQVASVLKN-MZGVZZPPSA-N 1 0 273.376 3.000 20 10 CGCDRO c1cc(N2CCCC2)ccc1C[NH2+][C@@H]1CCCSC1 ZINC000135703138 371445862 /nfs/dbraw/zinc/44/58/62/371445862.db2.gz FKDDGNGJTKKOOO-OAHLLOKOSA-N 1 0 276.449 3.272 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1CCCSC1)c1ccccc1O ZINC000287069562 371597294 /nfs/dbraw/zinc/59/72/94/371597294.db2.gz NYJJEMNSQRTYGP-VXGBXAGGSA-N 1 0 251.395 3.186 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCOC[C@H]2C)c(O)c1 ZINC000287457518 371661009 /nfs/dbraw/zinc/66/10/09/371661009.db2.gz LSAODDLMRQKDSB-HZSPNIEDSA-N 1 0 263.381 3.024 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H](C)[C@H](O)c2ccccc2)cc1C ZINC000288671356 371743961 /nfs/dbraw/zinc/74/39/61/371743961.db2.gz WLCFKVYKVQBSDF-KSSFIOAISA-N 1 0 285.387 3.221 20 10 CGCDRO C[C@@H]1Oc2ccccc2[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000288609933 371741119 /nfs/dbraw/zinc/74/11/19/371741119.db2.gz QLXKXMWILAIRMT-KPZWWZAWSA-N 1 0 281.355 3.233 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1cc(F)ccc1O ZINC000159969298 372199758 /nfs/dbraw/zinc/19/97/58/372199758.db2.gz KTNHTDWGIDHJBX-CMPLNLGQSA-N 1 0 267.344 3.140 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CC2(N(C)C)CCCC2)c1 ZINC000160696864 372269299 /nfs/dbraw/zinc/26/92/99/372269299.db2.gz AZSJEYASSFQJFB-AWEZNQCLSA-N 1 0 276.424 3.226 20 10 CGCDRO CSC[C@H](C)[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000293643831 372434370 /nfs/dbraw/zinc/43/43/70/372434370.db2.gz IFHFUFOJILUHFV-NWDGAFQWSA-N 1 0 253.411 3.411 20 10 CGCDRO CSC[C@@H](C)[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000293643826 372435174 /nfs/dbraw/zinc/43/51/74/372435174.db2.gz IFHFUFOJILUHFV-NEPJUHHUSA-N 1 0 253.411 3.411 20 10 CGCDRO Cc1nnsc1C[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000293751148 372470370 /nfs/dbraw/zinc/47/03/70/372470370.db2.gz RIYVZPNJPFARCT-SNVBAGLBSA-N 1 0 277.393 3.020 20 10 CGCDRO C[C@@H](O)C[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000293794384 372485138 /nfs/dbraw/zinc/48/51/38/372485138.db2.gz QTYWORXYTGBKFJ-RHSMWYFYSA-N 1 0 285.387 3.037 20 10 CGCDRO CCOC[C@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000293794989 372485415 /nfs/dbraw/zinc/48/54/15/372485415.db2.gz BOCKPPIHNIOFOY-JTQLQIEISA-N 1 0 287.762 3.043 20 10 CGCDRO Cc1cc(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)ccc1N(C)C ZINC000293840708 372497361 /nfs/dbraw/zinc/49/73/61/372497361.db2.gz QMAZQTUIIDPZLC-MRXNPFEDSA-N 1 0 298.434 3.164 20 10 CGCDRO Oc1cccc(Cl)c1CN1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000293842469 372499356 /nfs/dbraw/zinc/49/93/56/372499356.db2.gz BCUGFOAVVSTGFN-CVEARBPZSA-N 1 0 293.794 3.189 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2CCOC[C@H]2C)c(O)c1 ZINC000294101744 372580941 /nfs/dbraw/zinc/58/09/41/372580941.db2.gz JLLZXNVQAOHVHL-QLFBSQMISA-N 1 0 277.408 3.332 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2CCc3nccn3C2)c(O)c1 ZINC000294436767 372654837 /nfs/dbraw/zinc/65/48/37/372654837.db2.gz VBIGSIBCWOODKL-CABCVRRESA-N 1 0 299.418 3.119 20 10 CGCDRO Oc1cc2c(cc1C[NH2+]C[C@@H]1CCCCC1(F)F)OCO2 ZINC000295187184 372698938 /nfs/dbraw/zinc/69/89/38/372698938.db2.gz WUMBGQOEFVWSDP-NSHDSACASA-N 1 0 299.317 3.036 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CC(C)(C)c2ccccn2)cc1C ZINC000294925773 372680567 /nfs/dbraw/zinc/68/05/67/372680567.db2.gz ZCEQFXKDNNBQOD-UHFFFAOYSA-N 1 0 284.403 3.471 20 10 CGCDRO CS[C@@H]1CC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000295099670 372692857 /nfs/dbraw/zinc/69/28/57/372692857.db2.gz SOBGAQAXVFWGLN-CYBMUJFWSA-N 1 0 273.401 3.483 20 10 CGCDRO Cc1ccc([C@@H](O)C[NH2+][C@@H]2CCc3cccc(O)c32)cc1 ZINC000295809587 372920108 /nfs/dbraw/zinc/92/01/08/372920108.db2.gz CSVVOILLHWXKPG-WBVHZDCISA-N 1 0 283.371 3.011 20 10 CGCDRO CC(C)(CO)[C@@H]([NH2+]Cc1ccccc1O)c1cccs1 ZINC000296023477 372998355 /nfs/dbraw/zinc/99/83/55/372998355.db2.gz NPYZMYZZXJOYBZ-HNNXBMFYSA-N 1 0 291.416 3.303 20 10 CGCDRO Cc1cccnc1CCC[NH2+][C@@H](C)c1ccccc1O ZINC000296527098 373166271 /nfs/dbraw/zinc/16/62/71/373166271.db2.gz QHIKMKZOYRKSII-AWEZNQCLSA-N 1 0 270.376 3.379 20 10 CGCDRO CC(C)CCOCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297845156 373281229 /nfs/dbraw/zinc/28/12/29/373281229.db2.gz SNCZSSRVSJJDSW-AWEZNQCLSA-N 1 0 263.381 3.032 20 10 CGCDRO Cc1cc(N[C@H](C)c2ccc(N3CCOCC3)cc2)cc[nH+]1 ZINC000302530614 373889853 /nfs/dbraw/zinc/88/98/53/373889853.db2.gz CNWKCFFNMVEDQA-OAHLLOKOSA-N 1 0 297.402 3.400 20 10 CGCDRO Cn1cccc1[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1O ZINC000179887711 373934672 /nfs/dbraw/zinc/93/46/72/373934672.db2.gz IUKWBSJNNYJRAC-OAHLLOKOSA-N 1 0 274.339 3.207 20 10 CGCDRO Cc1cccc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)c1O ZINC000180439303 374006652 /nfs/dbraw/zinc/00/66/52/374006652.db2.gz RDQFXFJAHWNPHI-MRXNPFEDSA-N 1 0 276.424 3.007 20 10 CGCDRO CCc1cnc(CN(C)Cc2cccc(C)c2O)s1 ZINC000180558832 374022394 /nfs/dbraw/zinc/02/23/94/374022394.db2.gz WIGRNSPXFCUFGG-UHFFFAOYSA-N 1 0 276.405 3.352 20 10 CGCDRO COc1ccccc1CC[NH2+][C@H](C)c1ccccc1O ZINC000183380682 374408713 /nfs/dbraw/zinc/40/87/13/374408713.db2.gz HLOOZTCHQIXURD-CYBMUJFWSA-N 1 0 271.360 3.294 20 10 CGCDRO Cc1cc(Cl)cc(C[N@H+](C)CCc2ccncc2)c1O ZINC000183758848 374451728 /nfs/dbraw/zinc/45/17/28/374451728.db2.gz JXRCEEQDYWOWGT-UHFFFAOYSA-N 1 0 290.794 3.424 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1CC[C@H](O)C1)c1cc2c(cc1O)CCCC2 ZINC000189304171 375360418 /nfs/dbraw/zinc/36/04/18/375360418.db2.gz GQFHZTNQXQJEJA-IOASZLSFSA-N 1 0 289.419 3.083 20 10 CGCDRO CC[C@H]([NH2+][C@H](CO)Cc1cccc(C)c1)c1ccccc1O ZINC000191596133 375642277 /nfs/dbraw/zinc/64/22/77/375642277.db2.gz QSMWXKDDYJFSEB-WMZOPIPTSA-N 1 0 299.414 3.345 20 10 CGCDRO CCOc1ccc(C[NH+]2CC(Cc3ccco3)C2)c(O)c1 ZINC000529648957 375931801 /nfs/dbraw/zinc/93/18/01/375931801.db2.gz LSNOOQVLMNIMAJ-UHFFFAOYSA-N 1 0 287.359 3.058 20 10 CGCDRO CCC[C@@]1(COC)CCC[N@@H+]1Cc1cccc(OC)c1O ZINC000195198113 376088484 /nfs/dbraw/zinc/08/84/84/376088484.db2.gz SLEDRURBTDPDCO-KRWDZBQOSA-N 1 0 293.407 3.182 20 10 CGCDRO CC1(C)C[C@@H]([NH2+]Cc2c(O)cccc2Cl)CCO1 ZINC000228085025 376426790 /nfs/dbraw/zinc/42/67/90/376426790.db2.gz KAWOOZOSDMFFNY-JTQLQIEISA-N 1 0 269.772 3.093 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)nc1)c1ccc(N(C)C)cc1 ZINC000268777572 378107962 /nfs/dbraw/zinc/10/79/62/378107962.db2.gz RXPYCJVPRRIBMQ-CQSZACIVSA-N 1 0 298.434 3.064 20 10 CGCDRO COc1cccc(C[N@H+](Cc2ccco2)C(C)C)c1O ZINC000271049966 378439985 /nfs/dbraw/zinc/43/99/85/378439985.db2.gz OKDNIKMTHDPTOM-UHFFFAOYSA-N 1 0 275.348 3.404 20 10 CGCDRO CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+]Cc1ccccc1O ZINC000271337240 378488944 /nfs/dbraw/zinc/48/89/44/378488944.db2.gz GFXPKBDHGADFGB-PXAZEXFGSA-N 1 0 289.350 3.397 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2sc(C)nc2C)c1 ZINC000271810468 378505751 /nfs/dbraw/zinc/50/57/51/378505751.db2.gz MBUABCQTZHLQSI-VIFPVBQESA-N 1 0 292.404 3.325 20 10 CGCDRO CC(C)(C)[C@@H]1C[C@H]([NH2+]Cc2cc(F)ccc2O)CCO1 ZINC000272516047 378655207 /nfs/dbraw/zinc/65/52/07/378655207.db2.gz XQFUKNRYEBBIQD-HIFRSBDPSA-N 1 0 281.371 3.215 20 10 CGCDRO CO[C@@H](C)CC[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000273623309 378757134 /nfs/dbraw/zinc/75/71/34/378757134.db2.gz ZUQWZRZTHUUIEV-WCQYABFASA-N 1 0 251.370 3.085 20 10 CGCDRO C[C@H]([NH2+]CC(C)(C)N(C)C)c1cc(Cl)ccc1O ZINC000273376053 378744182 /nfs/dbraw/zinc/74/41/82/378744182.db2.gz HGZNAFNHBJCSAE-JTQLQIEISA-N 1 0 270.804 3.036 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCCOC(C)C)c(O)c1C ZINC000273423115 378746186 /nfs/dbraw/zinc/74/61/86/378746186.db2.gz SOADGNURIWUBEP-CQSZACIVSA-N 1 0 265.397 3.475 20 10 CGCDRO Cc1nn(C)cc1[C@@H](C)[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000273466057 378747422 /nfs/dbraw/zinc/74/74/22/378747422.db2.gz DSSQCUGBZWVIRI-CHWSQXEVSA-N 1 0 287.407 3.463 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2cn[nH]c2)c(O)c1C ZINC000273508639 378750754 /nfs/dbraw/zinc/75/07/54/378750754.db2.gz RHTZOULEXBSDBF-NEPJUHHUSA-N 1 0 259.353 3.144 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCc3c2cccc3O)c1 ZINC000273550370 378751841 /nfs/dbraw/zinc/75/18/41/378751841.db2.gz FSTWKNWXNFDTDV-BDJLRTHQSA-N 1 0 299.370 3.445 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](CCO)C(C)C)c(O)c1C ZINC000273558523 378752535 /nfs/dbraw/zinc/75/25/35/378752535.db2.gz HLYUHQITFBPZFT-HIFRSBDPSA-N 1 0 265.397 3.067 20 10 CGCDRO C[C@@H]([NH2+][C@H](C)c1cc(Cl)ccc1O)c1cnn(C)c1 ZINC000273551306 378752601 /nfs/dbraw/zinc/75/26/01/378752601.db2.gz GBUKKXNNJRXSJO-NXEZZACHSA-N 1 0 279.771 3.191 20 10 CGCDRO C[C@H](COCC(F)(F)F)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000273588467 378753854 /nfs/dbraw/zinc/75/38/54/378753854.db2.gz ONFRDPBACINBHS-BDAKNGLRSA-N 1 0 295.276 3.149 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCOC2)c(O)c1C ZINC000273621504 378758364 /nfs/dbraw/zinc/75/83/64/378758364.db2.gz ZERJAONBEJQCDU-MELADBBJSA-N 1 0 263.381 3.085 20 10 CGCDRO C[C@]1([NH2+]Cc2cc(Cl)ccc2O)CCO[C@H]1C1CC1 ZINC000371746905 379174117 /nfs/dbraw/zinc/17/41/17/379174117.db2.gz MXWVQHCCBRTHGU-GJZGRUSLSA-N 1 0 281.783 3.093 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2cc(C)nn2C)cc1 ZINC000284321616 380138128 /nfs/dbraw/zinc/13/81/28/380138128.db2.gz LUYJXAIYBDAJJW-CQSZACIVSA-N 1 0 286.423 3.035 20 10 CGCDRO CO[C@H](C[N@H+](C)Cc1ccccc1O)c1ccccc1 ZINC000284364621 380139155 /nfs/dbraw/zinc/13/91/55/380139155.db2.gz KVLHDDCCMJUSMD-QGZVFWFLSA-N 1 0 271.360 3.212 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2C[C@@H](N3CCCC3)C[C@H]2C)cc1C ZINC000285264598 380144769 /nfs/dbraw/zinc/14/47/69/380144769.db2.gz XYUPBUJHTMOGCD-WBVHZDCISA-N 1 0 288.435 3.068 20 10 CGCDRO C[C@@H]([NH2+][C@H](C)c1c(F)cncc1F)c1ccccc1O ZINC000285707418 380153369 /nfs/dbraw/zinc/15/33/69/380153369.db2.gz PHEQEMDYOOZZNH-NXEZZACHSA-N 1 0 278.302 3.477 20 10 CGCDRO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1cccc(C)c1O ZINC000362048916 381882746 /nfs/dbraw/zinc/88/27/46/381882746.db2.gz XXKMBXCNGFJUJY-INIZCTEOSA-N 1 0 285.391 3.080 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H]2CCc3c2cccc3O)c1 ZINC000113337307 392383549 /nfs/dbraw/zinc/38/35/49/392383549.db2.gz PHKXMQFXGDKJDA-HNNXBMFYSA-N 1 0 269.344 3.183 20 10 CGCDRO Cc1n[nH]c(C)c1C[NH2+]Cc1c(C)c2ccccc2n1C ZINC000355127110 393254536 /nfs/dbraw/zinc/25/45/36/393254536.db2.gz SFSUVIJQTFCNGL-UHFFFAOYSA-N 1 0 282.391 3.116 20 10 CGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1CSC[C@H]1C ZINC000397811240 397698159 /nfs/dbraw/zinc/69/81/59/397698159.db2.gz YWIRLMMDYUZCAP-BXUZGUMPSA-N 1 0 274.433 3.328 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCc3nn(C)cc32)c1 ZINC000282571089 292165882 /nfs/dbraw/zinc/16/58/82/292165882.db2.gz YWUKXAPVSYVQAB-SWLSCSKDSA-N 1 0 285.391 3.162 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cccc(O)c1 ZINC000020146087 171031661 /nfs/dbraw/zinc/03/16/61/171031661.db2.gz ZYQGQHITRZWTFO-CYBMUJFWSA-N 1 0 270.376 3.309 20 10 CGCDRO Cc1n[nH]cc1C[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC000038011187 173979019 /nfs/dbraw/zinc/97/90/19/173979019.db2.gz MYIRJVBDRDHGFA-ZWNOBZJWSA-N 1 0 271.364 3.070 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H](C)N1CCCCC1)c1ccccc1O ZINC000038028409 174016482 /nfs/dbraw/zinc/01/64/82/174016482.db2.gz USJOBFYQYOVMNU-GOEBONIOSA-N 1 0 276.424 3.307 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(F)cc2F)c1 ZINC000071409079 176156784 /nfs/dbraw/zinc/15/67/84/176156784.db2.gz BQESTDAYMIQREM-UHFFFAOYSA-N 1 0 263.287 3.269 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]C2CCCC2)c1O ZINC000076274323 176967282 /nfs/dbraw/zinc/96/72/82/176967282.db2.gz LWQHITPCBDNYOY-UHFFFAOYSA-N 1 0 255.745 3.086 20 10 CGCDRO CN(C)[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)c1ccccc1 ZINC000079249354 260175764 /nfs/dbraw/zinc/17/57/64/260175764.db2.gz KHBUXJUQEIXNND-SFHVURJKSA-N 1 0 296.414 3.014 20 10 CGCDRO Cc1noc(C)c1C[NH2+][C@H](C)c1cc(C)ccc1O ZINC000092328676 260269519 /nfs/dbraw/zinc/26/95/19/260269519.db2.gz SCCYVESPSKPLEK-SNVBAGLBSA-N 1 0 260.337 3.156 20 10 CGCDRO CC[C@@H](C[NH2+][C@@H](CC)c1ccccc1O)N1CCCC1 ZINC000155087483 261097875 /nfs/dbraw/zinc/09/78/75/261097875.db2.gz XCVHVPPIEVTMKU-HOCLYGCPSA-N 1 0 276.424 3.307 20 10 CGCDRO CC[C@H]([NH2+]CCc1ccncc1C)c1ccccc1O ZINC000156926048 261135696 /nfs/dbraw/zinc/13/56/96/261135696.db2.gz VGZNJRKECDQDIY-INIZCTEOSA-N 1 0 270.376 3.379 20 10 CGCDRO C[C@@H]([NH2+]CCC[C@H]1CCCCO1)c1ccccc1O ZINC000184002622 262004533 /nfs/dbraw/zinc/00/45/33/262004533.db2.gz ZCWUZKYTAAIISI-ZIAGYGMSSA-N 1 0 263.381 3.392 20 10 CGCDRO CC[C@H](C[NH2+][C@H](C)c1cc(F)ccc1O)N1CCCC1 ZINC000184991217 262036967 /nfs/dbraw/zinc/03/69/67/262036967.db2.gz OQRGBONKVAEHRI-TZMCWYRMSA-N 1 0 280.387 3.056 20 10 CGCDRO C[C@@H]([NH2+]CCSC(F)(F)F)c1cc(F)ccc1O ZINC000185086571 262040103 /nfs/dbraw/zinc/04/01/03/262040103.db2.gz AHYWQLXSPFLPBG-SSDOTTSWSA-N 1 0 283.290 3.435 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H](O)c1ccccc1F)c1cc(F)ccc1O ZINC000185096323 262041021 /nfs/dbraw/zinc/04/10/21/262041021.db2.gz PTMVGFGEKDNDBG-QLJPJBMISA-N 1 0 293.313 3.055 20 10 CGCDRO CCc1nc(CC[NH2+][C@H](C)c2cc(F)ccc2O)cs1 ZINC000185311052 262050262 /nfs/dbraw/zinc/05/02/62/262050262.db2.gz POSNDPUEVXWAKL-SNVBAGLBSA-N 1 0 294.395 3.444 20 10 CGCDRO CCCC(O)(CCC)C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000185500781 262057051 /nfs/dbraw/zinc/05/70/51/262057051.db2.gz KJMGCHFPXFRHLS-CYBMUJFWSA-N 1 0 295.423 3.383 20 10 CGCDRO Cc1noc(C)c1C[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000185502065 262057199 /nfs/dbraw/zinc/05/71/99/262057199.db2.gz HZTJWMSZTWWFBM-UWVGGRQHSA-N 1 0 292.354 3.418 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@](C)(O)c2cccs2)c(O)c1 ZINC000185519269 262058008 /nfs/dbraw/zinc/05/80/08/262058008.db2.gz BLPSFKPCNNIBAI-BLLLJJGKSA-N 1 0 291.416 3.320 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCC[C@H]3OCC[C@@H]32)c1 ZINC000185772360 262069695 /nfs/dbraw/zinc/06/96/95/262069695.db2.gz CXGHDKAFHVDVLV-MAQMMGONSA-N 1 0 291.391 3.009 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CCCOCC1)c1cc(Cl)ccc1O ZINC000186234093 262085437 /nfs/dbraw/zinc/08/54/37/262085437.db2.gz SKQWSTGLEDYTKL-PWSUYJOCSA-N 1 0 269.772 3.265 20 10 CGCDRO CN1CCCc2cc(C[NH2+]C3CCSCC3)ccc21 ZINC000119787205 262170979 /nfs/dbraw/zinc/17/09/79/262170979.db2.gz OGYYQBMYUPUGFI-UHFFFAOYSA-N 1 0 276.449 3.054 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C2CCOCC2)c(O)c1 ZINC000185783166 262308879 /nfs/dbraw/zinc/30/88/79/262308879.db2.gz BJHPBIXJGQCYFL-CHWSQXEVSA-N 1 0 263.381 3.166 20 10 CGCDRO C[C@@H]1COCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000370183743 267297039 /nfs/dbraw/zinc/29/70/39/267297039.db2.gz LXYRBUYDILTHLP-INIZCTEOSA-N 1 0 288.435 3.145 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@H]2C2CC2)c(O)c1C ZINC000376893480 268027024 /nfs/dbraw/zinc/02/70/24/268027024.db2.gz OXWZYFSEJHYKPG-MJEQTWJJSA-N 1 0 275.392 3.227 20 10 CGCDRO CC[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1ccc(F)cc1[O-] ZINC000286248555 288035166 /nfs/dbraw/zinc/03/51/66/288035166.db2.gz UIGVSACAFJODTK-INIZCTEOSA-N 1 0 294.414 3.445 20 10 CGCDRO C[C@H](N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(N(C)C)cc1 ZINC000037292608 290019180 /nfs/dbraw/zinc/01/91/80/290019180.db2.gz NJUWQDIQQFJUAB-BMGDILEWSA-N 1 0 287.451 3.030 20 10 CGCDRO OCC[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)C1CCCCC1 ZINC000297131494 304827422 /nfs/dbraw/zinc/82/74/22/304827422.db2.gz YYTAYIFIQQBABC-JKSUJKDBSA-N 1 0 289.419 3.300 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCCOCC1)c1ccc(N(C)C)cc1 ZINC000183343230 327819678 /nfs/dbraw/zinc/81/96/78/327819678.db2.gz IAXDKTPOYDOWMJ-WBVHZDCISA-N 1 0 276.424 3.362 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](CO)c2ccccc2)c1 ZINC000185652131 327842084 /nfs/dbraw/zinc/84/20/84/327842084.db2.gz MCBIMORQLISYHH-HOCLYGCPSA-N 1 0 285.387 3.127 20 10 CGCDRO C/C=C/C[C@@H](CO)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000185812030 327846203 /nfs/dbraw/zinc/84/62/03/327846203.db2.gz YSJUVUURTVOTCB-YATRRXNKSA-N 1 0 288.435 3.094 20 10 CGCDRO CC(C)OCCCC[NH2+][C@H](C)c1ccccc1O ZINC000180453750 329217387 /nfs/dbraw/zinc/21/73/87/329217387.db2.gz FGNFEPGJPMIURS-CYBMUJFWSA-N 1 0 251.370 3.248 20 10 CGCDRO COc1cccc(C[NH2+]C[C@H]2CCOc3ccccc32)c1O ZINC000108880455 329537507 /nfs/dbraw/zinc/53/75/07/329537507.db2.gz NRPBOMVHGKIJHL-CYBMUJFWSA-N 1 0 299.370 3.057 20 10 CGCDRO CC[C@@H]([NH2+]CC[C@H]1CCCOC1)c1ccccc1O ZINC000527922709 330295983 /nfs/dbraw/zinc/29/59/83/330295983.db2.gz ANKIKFKWNXLJAZ-UKRRQHHQSA-N 1 0 263.381 3.250 20 10 CGCDRO Cc1ncccc1C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000527989128 330299144 /nfs/dbraw/zinc/29/91/44/330299144.db2.gz WRGYNHYKOUXSHL-LLVKDONJSA-N 1 0 260.312 3.086 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1CCN1C1CCCC1)c1ccccc1O ZINC000528012153 330304040 /nfs/dbraw/zinc/30/40/40/330304040.db2.gz OJLTWYIYAMYHBO-DZGCQCFKSA-N 1 0 274.408 3.060 20 10 CGCDRO CCC(CC)[C@@H](O)C[NH2+][C@H](CC)c1ccccc1O ZINC000155786756 330698933 /nfs/dbraw/zinc/69/89/33/330698933.db2.gz SFHXACUTHCTBOY-ZBFHGGJFSA-N 1 0 265.397 3.230 20 10 CGCDRO Cc1nc(CC[NH2+][C@H](C)c2cc(C)ccc2O)cs1 ZINC000230658442 333319830 /nfs/dbraw/zinc/31/98/30/333319830.db2.gz XOGXITSVVPOXNP-LLVKDONJSA-N 1 0 276.405 3.359 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]CC[C@@H]2CCCCO2)c1O ZINC000230935740 333322648 /nfs/dbraw/zinc/32/26/48/333322648.db2.gz PSPRKFKKGRJODJ-ZDUSSCGKSA-N 1 0 299.798 3.103 20 10 CGCDRO CO[C@H](C[NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(C)C ZINC000268891616 334718007 /nfs/dbraw/zinc/71/80/07/334718007.db2.gz DCIKSQLWBJJJPE-XJKSGUPXSA-N 1 0 264.413 3.074 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCO[C@@H](C)C2)c1 ZINC000273545558 334766883 /nfs/dbraw/zinc/76/68/83/334766883.db2.gz ZJCSCMWHRGWXCD-MELADBBJSA-N 1 0 263.381 3.166 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]Cc2c(C)noc2C)cc1 ZINC000069749874 520909443 /nfs/dbraw/zinc/90/94/43/520909443.db2.gz DEZNOFLOMJKHSO-UHFFFAOYSA-N 1 0 287.407 3.427 20 10 CGCDRO CC[N@H+](Cc1cc(OC)ccc1O)[C@H](C)c1cccnc1 ZINC000290468380 521291190 /nfs/dbraw/zinc/29/11/90/521291190.db2.gz NIGAMKLQDAKBSJ-CYBMUJFWSA-N 1 0 286.375 3.379 20 10 CGCDRO CCC(CC)(CCO)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297613583 521410194 /nfs/dbraw/zinc/41/01/94/521410194.db2.gz IOPYQEUOPOBTMN-AWEZNQCLSA-N 1 0 277.408 3.158 20 10 CGCDRO CCOC1CC2(C1)CC[N@H+](Cc1cccc(C)c1O)C2 ZINC000289511020 521653887 /nfs/dbraw/zinc/65/38/87/521653887.db2.gz GTMOOVRCEADMJB-UHFFFAOYSA-N 1 0 275.392 3.092 20 10 CGCDRO CCCN(Cc1ccccc1O)C(=O)CCCCCC[NH3+] ZINC000269213964 521687996 /nfs/dbraw/zinc/68/79/96/521687996.db2.gz FQWWFTKFGYPOLQ-UHFFFAOYSA-N 1 0 292.423 3.040 20 10 CGCDRO COC[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)C(C)C ZINC000086695022 522364306 /nfs/dbraw/zinc/36/43/06/522364306.db2.gz UFMQMIZVKJTOPY-QGZVFWFLSA-N 1 0 276.424 3.047 20 10 CGCDRO CC[C@H]([NH2+]CCCn1cccn1)c1ccc(C)cc1O ZINC000280166016 522589965 /nfs/dbraw/zinc/58/99/65/522589965.db2.gz QYHLNRBGSBDKDH-HNNXBMFYSA-N 1 0 273.380 3.028 20 10 CGCDRO CC[C@H]([NH2+][C@H](CO)c1ccccc1)c1ccc(C)cc1O ZINC000280136400 522748592 /nfs/dbraw/zinc/74/85/92/522748592.db2.gz PLDZTMDBMSNORF-DLBZAZTESA-N 1 0 285.387 3.475 20 10 CGCDRO CC[C@H]([NH2+][C@H]1C[C@@H](C)N(C2CC2)C1)c1ccc(C)cc1O ZINC000280298082 522763005 /nfs/dbraw/zinc/76/30/05/522763005.db2.gz ZSNQOQKVJWLZKX-KEYYUXOJSA-N 1 0 288.435 3.367 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CCCC3(CCC3)C2)cc1OC ZINC000366289062 522774918 /nfs/dbraw/zinc/77/49/18/522774918.db2.gz WACAKOJCRYLBFX-UHFFFAOYSA-N 1 0 291.391 3.176 20 10 CGCDRO COCC(C)(C)C[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000293301490 522814022 /nfs/dbraw/zinc/81/40/22/522814022.db2.gz DTYHMBFRMXZUCM-SNVBAGLBSA-N 1 0 271.788 3.369 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc2c(c1)OCCO2)c1ccccc1O ZINC000120234638 522876525 /nfs/dbraw/zinc/87/65/25/522876525.db2.gz NRQDOXUKMPZLBU-OAHLLOKOSA-N 1 0 299.370 3.404 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1CCSC1)c1ccc(C)cc1O ZINC000279988801 522928035 /nfs/dbraw/zinc/92/80/35/522928035.db2.gz FFEKBPMTFZNTSW-DGCLKSJQSA-N 1 0 251.395 3.247 20 10 CGCDRO CO[C@@]1(C)CCC[N@H+](Cc2cc(C)ccc2O)CC1 ZINC000280262041 523806538 /nfs/dbraw/zinc/80/65/38/523806538.db2.gz LXHNFNXMVLNGJJ-INIZCTEOSA-N 1 0 263.381 3.092 20 10 CGCDRO CO[C@H](C[NH2+][C@H](C)c1ccccc1O)Cc1ccccc1 ZINC000296403400 523953489 /nfs/dbraw/zinc/95/34/89/523953489.db2.gz VZESEGHEPISJPX-ZBFHGGJFSA-N 1 0 285.387 3.301 20 10 CGCDRO COc1ccc(C[NH2+]Cc2cn3cc(C)ccc3n2)cc1C ZINC000264396487 524073330 /nfs/dbraw/zinc/07/33/30/524073330.db2.gz UQXSFVNRNUYIER-UHFFFAOYSA-N 1 0 295.386 3.250 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2CCc3c2cccc3O)cc1C ZINC000264398964 524094934 /nfs/dbraw/zinc/09/49/34/524094934.db2.gz VJCJLIRITHTQFZ-INIZCTEOSA-N 1 0 283.371 3.486 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2ncccc2N(C)C)c(O)c1 ZINC000294080439 524333379 /nfs/dbraw/zinc/33/33/79/524333379.db2.gz IKQURLHILQVNPX-AWEZNQCLSA-N 1 0 299.418 3.321 20 10 CGCDRO Cc1cccc(CN2CCC([NH+]3CCCCC3)CC2)c1O ZINC000158025322 524385632 /nfs/dbraw/zinc/38/56/32/524385632.db2.gz NCYPSRXSCKGXNL-UHFFFAOYSA-N 1 0 288.435 3.151 20 10 CGCDRO Cc1cccc(C[N@@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c1O ZINC000291669417 524386430 /nfs/dbraw/zinc/38/64/30/524386430.db2.gz WETPVVNYGRWESL-ZBFHGGJFSA-N 1 0 275.392 3.090 20 10 CGCDRO COc1ccc(N2CCC([NH2+]CC3(C)CCC3)CC2)cc1 ZINC000374528924 524403840 /nfs/dbraw/zinc/40/38/40/524403840.db2.gz WGRAQBSQGJFWTG-UHFFFAOYSA-N 1 0 288.435 3.444 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2COc3ccccc32)c1 ZINC000290264299 524772940 /nfs/dbraw/zinc/77/29/40/524772940.db2.gz KXLABFROMGPYBM-STQMWFEESA-N 1 0 299.370 3.228 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2c(O)ccc3ccccc32)CCCO1 ZINC000096810806 524982552 /nfs/dbraw/zinc/98/25/52/524982552.db2.gz KYBFIRGPUXZVGG-CYBMUJFWSA-N 1 0 271.360 3.156 20 10 CGCDRO C[C@]1(O)CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000129419365 525309135 /nfs/dbraw/zinc/30/91/35/525309135.db2.gz LHTKHCKWEYVIEV-SFHVURJKSA-N 1 0 288.435 3.024 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2CCCC[C@@H]2C[C@@H](C)O)cc1C ZINC000280450823 525315495 /nfs/dbraw/zinc/31/54/95/525315495.db2.gz LHZBVLZQTRRYSH-GDBMZVCRSA-N 1 0 277.408 3.134 20 10 CGCDRO C[C@@H]([NH2+]Cc1cccc2c1OCO2)c1cc(F)ccc1O ZINC000094617816 525536239 /nfs/dbraw/zinc/53/62/39/525536239.db2.gz IDQKKJHSOMEHRF-SNVBAGLBSA-N 1 0 289.306 3.111 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CC2(CO)CC3(CCC3)C2)c(O)c1 ZINC000278656732 525721479 /nfs/dbraw/zinc/72/14/79/525721479.db2.gz FCXOOTGIFSWKDF-CQSZACIVSA-N 1 0 289.419 3.294 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C(C)C)C(C)(C)O)c(O)c1C ZINC000276612609 525738423 /nfs/dbraw/zinc/73/84/23/525738423.db2.gz CLQDYCZFLFBRMV-CJNGLKHVSA-N 1 0 279.424 3.455 20 10 CGCDRO Cc1ccoc1C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000266180692 525803074 /nfs/dbraw/zinc/80/30/74/525803074.db2.gz GCOOGMASEHJEMI-UHFFFAOYSA-N 1 0 262.328 3.083 20 10 CGCDRO COc1cccc(C[NH2+]Cc2ccc(C)c(F)c2)c1O ZINC000237218989 526022888 /nfs/dbraw/zinc/02/28/88/526022888.db2.gz POQAUTJUVROWIT-UHFFFAOYSA-N 1 0 275.323 3.138 20 10 CGCDRO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1O ZINC000290385599 526524534 /nfs/dbraw/zinc/52/45/34/526524534.db2.gz IJUGBBABANMNIH-CQSZACIVSA-N 1 0 289.354 3.208 20 10 CGCDRO CN1CCC[C@@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000725846943 572439503 /nfs/dbraw/zinc/43/95/03/572439503.db2.gz ZBILLYJWNRQMAS-GOSISDBHSA-N 1 0 296.414 3.243 20 10 CGCDRO COC[C@H](C)C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000725848312 572440320 /nfs/dbraw/zinc/44/03/20/572440320.db2.gz NVISVIQSSJSDFW-CQSZACIVSA-N 1 0 285.387 3.431 20 10 CGCDRO CCSCC[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000741804951 572531468 /nfs/dbraw/zinc/53/14/68/572531468.db2.gz JVVMYZHNCFSYLK-UHFFFAOYSA-N 1 0 278.465 3.470 20 10 CGCDRO COc1cccc2c1OCC[C@H]2[NH2+]Cc1ccccc1O ZINC000733331742 572557196 /nfs/dbraw/zinc/55/71/96/572557196.db2.gz GHEZVCUCMCYGPC-CQSZACIVSA-N 1 0 285.343 3.014 20 10 CGCDRO Oc1cc2c(cc1C[NH2+][C@@H]1CC[C@@H]3CCC[C@@H]3C1)OCO2 ZINC000742379636 572571207 /nfs/dbraw/zinc/57/12/07/572571207.db2.gz YZGOILVDGHHWER-OUCADQQQSA-N 1 0 289.375 3.179 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)CCCCOC)cc1 ZINC000735563993 572731480 /nfs/dbraw/zinc/73/14/80/572731480.db2.gz ZRELXFXQUOSXDB-UHFFFAOYSA-N 1 0 278.440 3.391 20 10 CGCDRO CCC[N@H+](CCCOCC)Cc1ccccc1O ZINC000160161366 617609870 /nfs/dbraw/zinc/60/98/70/617609870.db2.gz SAAUGPWDTGVQTC-UHFFFAOYSA-N 1 0 251.370 3.031 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C2CCC(C)(C)CC2)c1 ZINC000079676998 617981036 /nfs/dbraw/zinc/98/10/36/617981036.db2.gz WQQZWCHDSIHKLW-UHFFFAOYSA-N 1 0 263.381 3.459 20 10 CGCDRO COc1cc(O)c(C[NH+]2C[C@H]3CCCC[C@@H]3C2)cc1OC ZINC000160367366 618024562 /nfs/dbraw/zinc/02/45/62/618024562.db2.gz RGZONUBCNUKFIR-CHWSQXEVSA-N 1 0 291.391 3.031 20 10 CGCDRO CC[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000088296482 618120590 /nfs/dbraw/zinc/12/05/90/618120590.db2.gz PMEUNMMHCGRJON-CVEARBPZSA-N 1 0 290.451 3.438 20 10 CGCDRO CC(=O)Nc1cccc(C[NH2+]Cc2ccc(N(C)C)cc2)c1 ZINC000069831013 618172620 /nfs/dbraw/zinc/17/26/20/618172620.db2.gz FTUBUJDVGJKZOZ-UHFFFAOYSA-N 1 0 297.402 3.001 20 10 CGCDRO COc1ccc(C[N@H+]([C@@H](C)C2CC2)C2CC2)c(O)c1OC ZINC000891669164 618244871 /nfs/dbraw/zinc/24/48/71/618244871.db2.gz WADKDIRJRABXIY-NSHDSACASA-N 1 0 291.391 3.172 20 10 CGCDRO COc1ccc(C[N@H+](C)Cc2ccccc2O)c(C)c1 ZINC000891713650 618253588 /nfs/dbraw/zinc/25/35/88/618253588.db2.gz JEBZGVTWCWXPHA-UHFFFAOYSA-N 1 0 271.360 3.341 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)Cc2cccc3c2OCO3)cc1 ZINC000161638272 618704877 /nfs/dbraw/zinc/70/48/77/618704877.db2.gz OGWHLLQVFQGTGW-UHFFFAOYSA-N 1 0 298.386 3.113 20 10 CGCDRO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1cc(C)cc(OC)c1O ZINC000184984819 625286143 /nfs/dbraw/zinc/28/61/43/625286143.db2.gz AJPGVFLRTNNSHX-OCCSQVGLSA-N 1 0 263.381 3.330 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCN2CCCC[C@@H]2C)c(O)c1 ZINC000185028098 625290548 /nfs/dbraw/zinc/29/05/48/625290548.db2.gz IOQLAWXPOGIJPC-LSDHHAIUSA-N 1 0 276.424 3.226 20 10 CGCDRO C[N@H+](Cc1ccccc1O)Cc1ncccc1C(F)(F)F ZINC000091956529 618782677 /nfs/dbraw/zinc/78/26/77/618782677.db2.gz CCZQSUPTRJEHBB-UHFFFAOYSA-N 1 0 296.292 3.438 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CCOC2(C1)CCCCCC2 ZINC000179582254 618796139 /nfs/dbraw/zinc/79/61/39/618796139.db2.gz HHLJVHBZDAZTRG-UHFFFAOYSA-N 1 0 275.392 3.317 20 10 CGCDRO CSCC[C@@H](C)[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000168789777 618914219 /nfs/dbraw/zinc/91/42/19/618914219.db2.gz SPIOHBWXOBUOIO-NEPJUHHUSA-N 1 0 253.411 3.493 20 10 CGCDRO CCCC[C@H](C)[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000311772072 618917580 /nfs/dbraw/zinc/91/75/80/618917580.db2.gz HMAQXUBLCCCNLP-NSHDSACASA-N 1 0 265.353 3.131 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(C)c(C)n2)c1 ZINC000314339103 618968361 /nfs/dbraw/zinc/96/83/61/618968361.db2.gz UVXHRLXWBDKOAS-CYBMUJFWSA-N 1 0 286.375 3.263 20 10 CGCDRO CCOC[C@@H]1CC[N@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000840918181 619137696 /nfs/dbraw/zinc/13/76/96/619137696.db2.gz DSHPUFZOMMHCTH-GFCCVEGCSA-N 1 0 283.799 3.212 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCc2cscn2)cc1 ZINC000178470898 619210962 /nfs/dbraw/zinc/21/09/62/619210962.db2.gz ZHYZPEKVBJGBCS-ZDUSSCGKSA-N 1 0 289.448 3.493 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H]2CCc3cccc(O)c32)nc1C ZINC000314168981 619218047 /nfs/dbraw/zinc/21/80/47/619218047.db2.gz MZDGTDJQYSMDLT-OAHLLOKOSA-N 1 0 268.360 3.181 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+]C[C@@H]2C[C@H](C)O[C@H]2C)c1O ZINC000840964724 619284805 /nfs/dbraw/zinc/28/48/05/619284805.db2.gz VUYCFZBPWLRVOS-SRVKXCTJSA-N 1 0 283.799 3.257 20 10 CGCDRO CC(C)([NH2+]Cc1cc(Br)ccc1O)C1CC1 ZINC000230674594 619287569 /nfs/dbraw/zinc/28/75/69/619287569.db2.gz KMPFHFXROBJLDE-UHFFFAOYSA-N 1 0 284.197 3.433 20 10 CGCDRO COc1cc(C)cc(C[N@H+](C)Cc2cccc(C)n2)c1O ZINC000894050155 619359298 /nfs/dbraw/zinc/35/92/98/619359298.db2.gz PQNQXQVLFSAYCJ-UHFFFAOYSA-N 1 0 286.375 3.045 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCN2CCC[C@@H](C)C2)c1 ZINC000248482292 619380701 /nfs/dbraw/zinc/38/07/01/619380701.db2.gz BZLMPHRNKRAVFK-HUUCEWRRSA-N 1 0 276.424 3.083 20 10 CGCDRO Cc1cc(C[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)on1 ZINC000185357377 625351475 /nfs/dbraw/zinc/35/14/75/625351475.db2.gz QDSGWAQGEDWLAB-GFCCVEGCSA-N 1 0 286.375 3.418 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@]23C[C@H]2CCCC3)c1O ZINC000895439480 619829453 /nfs/dbraw/zinc/82/94/53/619829453.db2.gz BWSZYSPMUGRMMY-CZUORRHYSA-N 1 0 261.365 3.132 20 10 CGCDRO FC[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000895575824 619852377 /nfs/dbraw/zinc/85/23/77/619852377.db2.gz VFLSWPHMLZXXRP-INIZCTEOSA-N 1 0 276.399 3.468 20 10 CGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@@H](CF)C2)cc1 ZINC000895568706 619853895 /nfs/dbraw/zinc/85/38/95/619853895.db2.gz PTEDRNHSIIEFPK-BWPKMQGJSA-N 1 0 262.372 3.057 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](CF)C2)cc1Cl ZINC000895568039 619854049 /nfs/dbraw/zinc/85/40/49/619854049.db2.gz LPGLSTNTLQRRJJ-JTQLQIEISA-N 1 0 257.736 3.145 20 10 CGCDRO COc1cc(C)cc(C[NH2+]CC[C@H]2CC(C)(C)CO2)c1O ZINC000895802560 619889050 /nfs/dbraw/zinc/88/90/50/619889050.db2.gz MBHJHORMCLPSOT-AWEZNQCLSA-N 1 0 293.407 3.004 20 10 CGCDRO CO[C@H](C)C[N@H+](C)Cc1cc(C)cc(C(C)(C)C)c1O ZINC000795752103 620069712 /nfs/dbraw/zinc/06/97/12/620069712.db2.gz SLBJTMBLDIMUBE-CYBMUJFWSA-N 1 0 279.424 3.465 20 10 CGCDRO COc1cc(C)cc(C[NH+]2CCC(CSC)CC2)c1O ZINC000896934960 620106955 /nfs/dbraw/zinc/10/69/55/620106955.db2.gz WLNJOMSSZMLGBH-UHFFFAOYSA-N 1 0 295.448 3.284 20 10 CGCDRO Cc1ccc(C[NH2+]CC[C@H]2CCC3(CCC3)O2)c(O)c1 ZINC000897245892 620171529 /nfs/dbraw/zinc/17/15/29/620171529.db2.gz MDTNAPYNMMQQEG-OAHLLOKOSA-N 1 0 275.392 3.282 20 10 CGCDRO CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841743891 620344420 /nfs/dbraw/zinc/34/44/20/620344420.db2.gz KPKZZVGUCZDXES-LBPRGKRZSA-N 1 0 284.831 3.428 20 10 CGCDRO c1cc2c(cc1C[NH2+]C[C@H]1CC[C@H](C3CC3)O1)CCCO2 ZINC000897501284 620355674 /nfs/dbraw/zinc/35/56/74/620355674.db2.gz QVMMIQMCRUWUAX-SJLPKXTDSA-N 1 0 287.403 3.059 20 10 CGCDRO c1csc(SCCC[NH2+][C@@H]2CCC[C@H]3C[C@H]32)n1 ZINC000800971245 620361876 /nfs/dbraw/zinc/36/18/76/620361876.db2.gz HVWKVXULOLMUJI-QJPTWQEYSA-N 1 0 268.451 3.404 20 10 CGCDRO COc1cc(C)cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)c1O ZINC000897745255 620429146 /nfs/dbraw/zinc/42/91/46/620429146.db2.gz DHMHXUSCKMXPNE-AGUYFDCRSA-N 1 0 293.432 3.225 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2C[C@@H]3CCC[C@@H]23)c1 ZINC000897960202 620457096 /nfs/dbraw/zinc/45/70/96/620457096.db2.gz ZSEIJRMKUUNPMZ-HTTKSJEASA-N 1 0 261.365 3.240 20 10 CGCDRO C[C@@H](Cc1cccnc1)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000897967209 620458804 /nfs/dbraw/zinc/45/88/04/620458804.db2.gz LEWNLBVYENSDEZ-KJPDOMRESA-N 1 0 295.430 3.382 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]C[C@H]1CCCC(C)(C)O1 ZINC000898047113 620464207 /nfs/dbraw/zinc/46/42/07/620464207.db2.gz RVEMJPIVKXITGM-CYBMUJFWSA-N 1 0 263.381 3.138 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000898067854 620474629 /nfs/dbraw/zinc/47/46/29/620474629.db2.gz IGFWFLMKCHOZRO-ZDUSSCGKSA-N 1 0 288.416 3.222 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCOC23CCCC3)cc1F ZINC000898112129 620479203 /nfs/dbraw/zinc/47/92/03/620479203.db2.gz KOFHPJBRUYQBTG-INIZCTEOSA-N 1 0 292.398 3.083 20 10 CGCDRO CC[C@](C)(C[NH2+][C@H](C)c1ccc(N(C)C)cc1)OC ZINC000322964047 620527158 /nfs/dbraw/zinc/52/71/58/620527158.db2.gz VIGGKROMRVWCGS-CZUORRHYSA-N 1 0 264.413 3.218 20 10 CGCDRO CN(C)c1ccc([C@H](N)C[NH2+]C/C=C\c2ccccc2)cc1 ZINC000841043989 620541868 /nfs/dbraw/zinc/54/18/68/620541868.db2.gz SHDYJDTYBANKQZ-WMHRWZGDSA-N 1 0 295.430 3.055 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@]2(C)CCCCO2)c1 ZINC000927017591 620562119 /nfs/dbraw/zinc/56/21/19/620562119.db2.gz JTGRLBGBEHFESM-CZUORRHYSA-N 1 0 263.381 3.310 20 10 CGCDRO CCCC[N@H+](Cc1ccccc1O)CC1(O)CCCC1 ZINC000801597451 620563393 /nfs/dbraw/zinc/56/33/93/620563393.db2.gz HKZOKDSRQJUTPK-UHFFFAOYSA-N 1 0 277.408 3.299 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCCC[C@@H]([C@H]3CCOC3)C2)c1O ZINC000898515897 620595270 /nfs/dbraw/zinc/59/52/70/620595270.db2.gz HJUWVPAJQNFUPB-WBVHZDCISA-N 1 0 289.419 3.339 20 10 CGCDRO C[C@@H]([NH2+][C@H]1C[C@H](CO)C1)c1ccc(N2CCCCC2)cc1 ZINC000927152130 620606887 /nfs/dbraw/zinc/60/68/87/620606887.db2.gz KFCAGXPUSSJXTO-BFYDXBDKSA-N 1 0 288.435 3.098 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cc(N(C)C)ccn2)c(O)c1C ZINC000903198885 621624088 /nfs/dbraw/zinc/62/40/88/621624088.db2.gz QWHUIIUICWHGGH-CQSZACIVSA-N 1 0 299.418 3.321 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2C[C@@H]3CCC[C@@H]23)c1O ZINC000903318920 621673993 /nfs/dbraw/zinc/67/39/93/621673993.db2.gz SNCNZHOQKQKRIZ-CDGCEXEKSA-N 1 0 261.365 3.240 20 10 CGCDRO C[C@@H]([NH2+]CCOC1CCSCC1)c1cc(F)ccc1O ZINC000903444409 621755342 /nfs/dbraw/zinc/75/53/42/621755342.db2.gz AKAYPWVYJKCGOQ-LLVKDONJSA-N 1 0 299.411 3.094 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H]1CCCN1CC)c1ccc(N(C)C)cc1 ZINC000156571941 622825735 /nfs/dbraw/zinc/82/57/35/622825735.db2.gz HCVQLMQIGOXQPL-ROUUACIJSA-N 1 0 289.467 3.278 20 10 CGCDRO C[C@@H]([NH2+][C@H]1COc2ccccc2C1)c1ccc(N(C)C)cc1 ZINC000164308174 622828335 /nfs/dbraw/zinc/82/83/35/622828335.db2.gz FHKXMHWYVFHKNC-RHSMWYFYSA-N 1 0 296.414 3.407 20 10 CGCDRO CC[C@H](C)C[N@H+](C)Cc1cc(C)cc(OC)c1O ZINC000164317054 622828616 /nfs/dbraw/zinc/82/86/16/622828616.db2.gz NECRXJOIADRKNB-NSHDSACASA-N 1 0 251.370 3.187 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1CCCCS1)c1ccccc1O ZINC000157912559 622977636 /nfs/dbraw/zinc/97/76/36/622977636.db2.gz LCQSEHWJUDWFKQ-NEPJUHHUSA-N 1 0 251.395 3.329 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)CCSC)c1 ZINC000168788705 623014047 /nfs/dbraw/zinc/01/40/47/623014047.db2.gz QKVQMKRBZBUNQI-GHMZBOCLSA-N 1 0 269.410 3.193 20 10 CGCDRO COc1ccccc1CC[NH2+]Cc1cc(Cl)ccc1O ZINC000227434458 623019359 /nfs/dbraw/zinc/01/93/59/623019359.db2.gz NMOFOTAPWVCXNX-UHFFFAOYSA-N 1 0 291.778 3.387 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]CCC2CCC2)c1O ZINC000169092130 623022290 /nfs/dbraw/zinc/02/22/90/623022290.db2.gz JHHBBBFVJYXJIZ-UHFFFAOYSA-N 1 0 269.772 3.334 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+][C@H]2CCC[C@H]2C)c1O ZINC000228673922 623070097 /nfs/dbraw/zinc/07/00/97/623070097.db2.gz PEKCGMRMHQCVBH-SKDRFNHKSA-N 1 0 269.772 3.332 20 10 CGCDRO COc1ccc(C[NH2+]CC(C(C)C)C(C)C)c(O)c1 ZINC000229526981 623142474 /nfs/dbraw/zinc/14/24/74/623142474.db2.gz VIPHUJSYRXJEHH-UHFFFAOYSA-N 1 0 265.397 3.419 20 10 CGCDRO CCOc1cccc(C[NH2+]C[C@H]2CC[C@@H](C)C2)c1O ZINC000230412942 623240509 /nfs/dbraw/zinc/24/05/09/623240509.db2.gz ABERSQSBRFZJLI-OLZOCXBDSA-N 1 0 263.381 3.317 20 10 CGCDRO Cc1csc(CC[NH2+][C@H](C)c2cc(C)ccc2O)n1 ZINC000063132742 623301406 /nfs/dbraw/zinc/30/14/06/623301406.db2.gz YKGMFZDYIJPXKP-GFCCVEGCSA-N 1 0 276.405 3.359 20 10 CGCDRO Cc1ccccc1C[C@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000063255995 623309280 /nfs/dbraw/zinc/30/92/80/623309280.db2.gz PNHAHWDHZKXKIU-ZDUSSCGKSA-N 1 0 299.370 3.150 20 10 CGCDRO C[C@@H](CC(F)(F)F)[NH2+]Cc1cc(Cl)ccc1O ZINC000231750887 623339025 /nfs/dbraw/zinc/33/90/25/623339025.db2.gz PVPWLEQDQPLUEA-ZETCQYMHSA-N 1 0 267.678 3.476 20 10 CGCDRO CC[C@@H](C[NH2+][C@@H](C)c1ccc(N(C)C)cc1)N1CCCC1 ZINC000151671203 623555937 /nfs/dbraw/zinc/55/59/37/623555937.db2.gz SYSYBRMROLJYDE-RDJZCZTQSA-N 1 0 289.467 3.278 20 10 CGCDRO CCCC[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000917088471 624237796 /nfs/dbraw/zinc/23/77/96/624237796.db2.gz XSZUFBFQUPXZPD-UHFFFAOYSA-N 1 0 262.397 3.007 20 10 CGCDRO Cc1ccc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)nc1 ZINC000155188290 624448219 /nfs/dbraw/zinc/44/82/19/624448219.db2.gz ZIVMRVVPXOSSDV-UHFFFAOYSA-N 1 0 269.392 3.088 20 10 CGCDRO Oc1ccccc1C[NH2+]Cc1cc(-c2ccccc2)on1 ZINC000238104952 624733746 /nfs/dbraw/zinc/73/37/46/624733746.db2.gz LDNCIESJBQDWPL-UHFFFAOYSA-N 1 0 280.327 3.337 20 10 CGCDRO C[C@@H](CC1CC1)[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000070100575 624955026 /nfs/dbraw/zinc/95/50/26/624955026.db2.gz PVRRUGOUVNBNPJ-ZDUSSCGKSA-N 1 0 258.409 3.347 20 10 CGCDRO C[C@@H]([NH2+]CC(C)(C)N1CCCCC1)c1ccccc1O ZINC000183377109 625067653 /nfs/dbraw/zinc/06/76/53/625067653.db2.gz QCZUTSZAJXOWSA-CQSZACIVSA-N 1 0 276.424 3.307 20 10 CGCDRO Cc1cccc(C[N@H+]2CCN(C)C[C@@H]2c2ccccc2)c1O ZINC000183376339 625068068 /nfs/dbraw/zinc/06/80/68/625068068.db2.gz IWLKSVMLXUITNN-GOSISDBHSA-N 1 0 296.414 3.189 20 10 CGCDRO Cc1cccnc1C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000071339743 625078014 /nfs/dbraw/zinc/07/80/14/625078014.db2.gz ZUBBUQBBBDVXKY-CQSZACIVSA-N 1 0 269.392 3.307 20 10 CGCDRO Cc1ncsc1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921692976 625845487 /nfs/dbraw/zinc/84/54/87/625845487.db2.gz ATPVUHYVPSVEOX-UHFFFAOYSA-N 1 0 274.389 3.066 20 10 CGCDRO FC1(F)CC[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000921856694 625910228 /nfs/dbraw/zinc/91/02/28/625910228.db2.gz YLMPIMXJISGLJV-ZDUSSCGKSA-N 1 0 267.319 3.289 20 10 CGCDRO C[C@@H]1CC([NH2+]Cc2ccc3c(c2)CCCO3)C[C@@H](C)O1 ZINC000921955538 625944460 /nfs/dbraw/zinc/94/44/60/625944460.db2.gz LLFWNKLGFUHWBS-CHWSQXEVSA-N 1 0 275.392 3.057 20 10 CGCDRO C[C@@H]1C[C@@H](CC[NH2+]Cc2ccc3c(c2)CCCO3)CCO1 ZINC000921990916 625955928 /nfs/dbraw/zinc/95/59/28/625955928.db2.gz RATWDAICAVEADR-CABCVRRESA-N 1 0 289.419 3.306 20 10 CGCDRO C[C@@H]([NH2+]Cc1cnn(C2CCC2)c1)c1ccccc1O ZINC000922329720 625998837 /nfs/dbraw/zinc/99/88/37/625998837.db2.gz QBJAAVPJCYVQPC-GFCCVEGCSA-N 1 0 271.364 3.165 20 10 CGCDRO C[C@H]1C[C@H]([NH2+]Cc2c(O)cccc2Cl)CCS1 ZINC000922836253 626053599 /nfs/dbraw/zinc/05/35/99/626053599.db2.gz LCJOEJUFNFLRHY-VHSXEESVSA-N 1 0 271.813 3.419 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCS[C@H](C)C2)cc1C ZINC000922838445 626056596 /nfs/dbraw/zinc/05/65/96/626056596.db2.gz ZHQDCGFSSYFSHC-TZMCWYRMSA-N 1 0 265.422 3.383 20 10 CGCDRO CCOc1cccc(C[NH2+][C@H]2CCS[C@H](C)C2)c1O ZINC000922844027 626056792 /nfs/dbraw/zinc/05/67/92/626056792.db2.gz VBVJKCIFFJQODF-YPMHNXCESA-N 1 0 281.421 3.165 20 10 CGCDRO COc1cccc(O)c1C[NH2+]C[C@@H]1CC(C)(C)OC1(C)C ZINC000922951326 626106704 /nfs/dbraw/zinc/10/67/04/626106704.db2.gz MUKOQJIIKPBRQF-LBPRGKRZSA-N 1 0 293.407 3.084 20 10 CGCDRO Oc1ccccc1C[NH2+]C[C@]1(c2ccccc2)CCCO1 ZINC000922962298 626110534 /nfs/dbraw/zinc/11/05/34/626110534.db2.gz QPVVATFDIOKVIC-SFHVURJKSA-N 1 0 283.371 3.188 20 10 CGCDRO CCc1onc(C)c1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922982057 626115092 /nfs/dbraw/zinc/11/50/92/626115092.db2.gz MOQOUASROKDEPR-UHFFFAOYSA-N 1 0 286.375 3.160 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@]23C[C@H]2CCC3)cc1 ZINC000923021904 626119049 /nfs/dbraw/zinc/11/90/49/626119049.db2.gz ZTWHWPCOIRQTCS-GWOVIKRFSA-N 1 0 256.393 3.298 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H](C)Cc2ccsc2)c1O ZINC000124726452 634494342 /nfs/dbraw/zinc/49/43/42/634494342.db2.gz IVEIPQBGTTUFPS-LBPRGKRZSA-N 1 0 261.390 3.483 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCO[C@H]1CC)c1ccc(N(C)C)cc1 ZINC000840817289 626287401 /nfs/dbraw/zinc/28/74/01/626287401.db2.gz DPFIKDOACDBXBV-BBWFWOEESA-N 1 0 276.424 3.361 20 10 CGCDRO CCOc1cccc(C[NH+]2CC3(C2)CCCC3)c1O ZINC000839104720 626314365 /nfs/dbraw/zinc/31/43/65/626314365.db2.gz MDHBERWALOEWES-UHFFFAOYSA-N 1 0 261.365 3.167 20 10 CGCDRO COc1cccc(C[NH+]2CC(Cc3ccccc3)C2)c1O ZINC000839127331 626320642 /nfs/dbraw/zinc/32/06/42/626320642.db2.gz CMDTVJWYCQBITD-UHFFFAOYSA-N 1 0 283.371 3.075 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000839186893 626327330 /nfs/dbraw/zinc/32/73/30/626327330.db2.gz RTQLRIRLCYCNOV-UGFHNGPFSA-N 1 0 261.365 3.069 20 10 CGCDRO c1cc(N2CCCCC2)ccc1C[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000839193777 626329100 /nfs/dbraw/zinc/32/91/00/626329100.db2.gz XYPOGOXVOVBWSI-IRXDYDNUSA-N 1 0 288.460 3.367 20 10 CGCDRO COc1cccc(C[N@@H+]2C[C@H](C)CC(C)(C)C2)c1O ZINC000753577238 626456476 /nfs/dbraw/zinc/45/64/76/626456476.db2.gz ZYUJMQOJGRYJSB-GFCCVEGCSA-N 1 0 263.381 3.269 20 10 CGCDRO CC[C@@H]([NH2+]CC[C@@H]1CCOC1)c1ccc(N(C)C)cc1 ZINC000753760881 626464971 /nfs/dbraw/zinc/46/49/71/626464971.db2.gz LARSHDPTESNUEQ-RHSMWYFYSA-N 1 0 276.424 3.220 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCOC[C@@H](C)C2)cc1C(C)C ZINC000753987273 626470904 /nfs/dbraw/zinc/47/09/04/626470904.db2.gz QAWNPSIMISOMKS-ZDUSSCGKSA-N 1 0 277.408 3.292 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@H+]2CCOC[C@H]2CC(C)C)c1 ZINC000754725809 626584967 /nfs/dbraw/zinc/58/49/67/626584967.db2.gz AFQVAARVCUUBPL-MRXNPFEDSA-N 1 0 277.408 3.256 20 10 CGCDRO C[C@H]1C[C@@H]([NH2+]CC(C)(C)N(C)C)c2c1c(F)ccc2O ZINC000756345604 626693984 /nfs/dbraw/zinc/69/39/84/626693984.db2.gz YXWYJQOKHSWHKW-CMPLNLGQSA-N 1 0 280.387 3.009 20 10 CGCDRO C[C@H]([NH2+]Cc1cn2ccccc2n1)c1cc(F)ccc1O ZINC000756363636 626696908 /nfs/dbraw/zinc/69/69/08/626696908.db2.gz QACCPIWJIOPKTH-NSHDSACASA-N 1 0 285.322 3.030 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCN2CCC[C@H](C)C2)c(O)c1C ZINC000756415069 626703985 /nfs/dbraw/zinc/70/39/85/626703985.db2.gz JUOOUCDULDUJSL-XJKSGUPXSA-N 1 0 290.451 3.392 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCN2CCC[C@@H](C)C2)c(O)c1C ZINC000756415067 626703990 /nfs/dbraw/zinc/70/39/90/626703990.db2.gz JUOOUCDULDUJSL-CZUORRHYSA-N 1 0 290.451 3.392 20 10 CGCDRO CCOCCCC[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756421108 626704328 /nfs/dbraw/zinc/70/43/28/626704328.db2.gz FJAHYZCEPLHREM-WCQYABFASA-N 1 0 281.371 3.486 20 10 CGCDRO C[C@@H]([NH2+]Cc1cn2ccsc2n1)c1cc(F)ccc1O ZINC000756453967 626707148 /nfs/dbraw/zinc/70/71/48/626707148.db2.gz BSLQQRHPMSJNRG-SECBINFHSA-N 1 0 291.351 3.091 20 10 CGCDRO C[C@H]([NH2+]CCn1cnc2ccccc21)c1cc(F)ccc1O ZINC000756483115 626709036 /nfs/dbraw/zinc/70/90/36/626709036.db2.gz NFKQNDKLEJAMGG-LBPRGKRZSA-N 1 0 299.349 3.232 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)CC(C)C)c(O)c1C ZINC000756498378 626709880 /nfs/dbraw/zinc/70/98/80/626709880.db2.gz VLDLIPDTNIOOBE-KBPBESRZSA-N 1 0 265.397 3.067 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]CCc2nccs2)c2c1c(F)ccc2O ZINC000756511421 626711407 /nfs/dbraw/zinc/71/14/07/626711407.db2.gz XETKCYAAGSQQNR-KOLCDFICSA-N 1 0 292.379 3.368 20 10 CGCDRO CCN(CC[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F)C(C)C ZINC000756527558 626712668 /nfs/dbraw/zinc/71/26/68/626712668.db2.gz ZVXLZVVTWBKQTC-JSGCOSHPSA-N 1 0 294.414 3.400 20 10 CGCDRO CC[C@@H](C)N(C)CC[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000756536649 626713144 /nfs/dbraw/zinc/71/31/44/626713144.db2.gz SFUNEGOAEQOKGC-HIFRSBDPSA-N 1 0 278.440 3.390 20 10 CGCDRO CCc1cc(C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)[nH]n1 ZINC000756571943 626716218 /nfs/dbraw/zinc/71/62/18/626716218.db2.gz HQTVSWZEMQIPFT-LBPRGKRZSA-N 1 0 273.380 3.145 20 10 CGCDRO CCCCN(C)CC[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756573454 626716843 /nfs/dbraw/zinc/71/68/43/626716843.db2.gz BBTVWRLQXSZUHF-TZMCWYRMSA-N 1 0 294.414 3.401 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCOC2)c2c1c(F)ccc2O ZINC000756573555 626717071 /nfs/dbraw/zinc/71/70/71/626717071.db2.gz KUZLAJJNLBNZOI-RSAASHCRSA-N 1 0 279.355 3.096 20 10 CGCDRO CC[C@@H]1CCCCN1CC[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000756577700 626717562 /nfs/dbraw/zinc/71/75/62/626717562.db2.gz ZSJWNEQWDVKWAA-DZGCQCFKSA-N 1 0 294.414 3.446 20 10 CGCDRO CSCCC[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756584357 626718136 /nfs/dbraw/zinc/71/81/36/626718136.db2.gz FJCDNJIXGMUVED-KOLCDFICSA-N 1 0 269.385 3.422 20 10 CGCDRO CC[C@H](COC)[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000756594509 626719134 /nfs/dbraw/zinc/71/91/34/626719134.db2.gz OAQRZEUUGAIAGR-QWHCGFSZSA-N 1 0 251.370 3.085 20 10 CGCDRO COC[C@H]([NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F)C(C)C ZINC000756597025 626719250 /nfs/dbraw/zinc/71/92/50/626719250.db2.gz JGSGJFLZZAIPRF-RTXFEEFZSA-N 1 0 281.371 3.340 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]CCN2CCC[C@@H]2C)c2c1c(F)ccc2O ZINC000756616047 626720427 /nfs/dbraw/zinc/72/04/27/626720427.db2.gz HDIWPSSHMBWGFE-MBNYWOFBSA-N 1 0 292.398 3.154 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCO[C@H](C)C2)c2c1c(F)ccc2O ZINC000756676659 626726635 /nfs/dbraw/zinc/72/66/35/626726635.db2.gz MXACUABIOFEWBS-BYNQJWBRSA-N 1 0 293.382 3.484 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(C)oc2C)c1 ZINC000756710413 626727047 /nfs/dbraw/zinc/72/70/47/626727047.db2.gz VLJBENFQLBHXFD-LLVKDONJSA-N 1 0 275.348 3.461 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCSC2)c(O)c1C ZINC000756732951 626728212 /nfs/dbraw/zinc/72/82/12/626728212.db2.gz NZQUWNIAYOONHY-VXGBXAGGSA-N 1 0 251.395 3.165 20 10 CGCDRO CCn1cc(C[NH2+][C@H](C)c2ccc(C)c(C)c2O)cn1 ZINC000756731816 626728266 /nfs/dbraw/zinc/72/82/66/626728266.db2.gz DMTKHPGZDYWFKP-CYBMUJFWSA-N 1 0 273.380 3.076 20 10 CGCDRO Cc1ccsc1[C@@H](CO)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000756735583 626728601 /nfs/dbraw/zinc/72/86/01/626728601.db2.gz FRVUCLQDODGFHR-ZWNOBZJWSA-N 1 0 295.379 3.285 20 10 CGCDRO C[C@H]([NH2+][C@@H](CCO)C1CC1)c1cc2c(cc1O)CCCC2 ZINC000756741233 626729434 /nfs/dbraw/zinc/72/94/34/626729434.db2.gz WIEAAOUZAYVDNN-SJCJKPOMSA-N 1 0 289.419 3.083 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCc2cnc(C)s2)c1 ZINC000756760780 626729887 /nfs/dbraw/zinc/72/98/87/626729887.db2.gz NWMGESGYRKSJAB-JTQLQIEISA-N 1 0 292.404 3.059 20 10 CGCDRO CCC(CC)(CO)C[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756770899 626730793 /nfs/dbraw/zinc/73/07/93/626730793.db2.gz PIMHXMPMHLXTDY-WCQYABFASA-N 1 0 295.398 3.468 20 10 CGCDRO C[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)c1cn[nH]c1 ZINC000756776757 626731118 /nfs/dbraw/zinc/73/11/18/626731118.db2.gz RBOQLRCUSBOOEA-IUCAKERBSA-N 1 0 265.744 3.181 20 10 CGCDRO C[C@H]1C[C@H]([NH2+]CCOC(C)(C)C)c2c1c(F)ccc2O ZINC000756817728 626734841 /nfs/dbraw/zinc/73/48/41/626734841.db2.gz NIIOHEKZUIFMCM-JQWIXIFHSA-N 1 0 281.371 3.484 20 10 CGCDRO C[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)[C@@H]1CCCOC1 ZINC000757637894 626796522 /nfs/dbraw/zinc/79/65/22/626796522.db2.gz OQARFLQGCOPVOG-CZXHOFHRSA-N 1 0 293.382 3.484 20 10 CGCDRO CC[C@@H]([NH2+][C@H](CO)CC(F)F)c1cc(Cl)ccc1O ZINC000760040573 626937191 /nfs/dbraw/zinc/93/71/91/626937191.db2.gz SQJYEWQDLNJALK-GXSJLCMTSA-N 1 0 293.741 3.102 20 10 CGCDRO CC[C@H]([NH2+][C@@H](CO)CC(F)F)c1cc(Cl)ccc1O ZINC000760040576 626937600 /nfs/dbraw/zinc/93/76/00/626937600.db2.gz SQJYEWQDLNJALK-KOLCDFICSA-N 1 0 293.741 3.102 20 10 CGCDRO Cc1cnc(C[N@H+](Cc2ccccc2O)C2CCCC2)nc1 ZINC000760840807 626996040 /nfs/dbraw/zinc/99/60/40/626996040.db2.gz PUIZFEJWFPIWBU-UHFFFAOYSA-N 1 0 297.402 3.435 20 10 CGCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H]2C(C)C)c1O ZINC000761202462 627024722 /nfs/dbraw/zinc/02/47/22/627024722.db2.gz YQVVMPANMCZJOW-GFCCVEGCSA-N 1 0 269.772 3.285 20 10 CGCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@H]2C(C)C)c1O ZINC000761202465 627024796 /nfs/dbraw/zinc/02/47/96/627024796.db2.gz YQVVMPANMCZJOW-LBPRGKRZSA-N 1 0 269.772 3.285 20 10 CGCDRO C[C@H]([NH2+]CC1CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000764832206 627227525 /nfs/dbraw/zinc/22/75/25/627227525.db2.gz YPZSEMQLCVKPRE-LBPRGKRZSA-N 1 0 294.826 3.237 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCN(C)[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000766165936 627300837 /nfs/dbraw/zinc/30/08/37/627300837.db2.gz MTULGFBMKLCAQU-LESCRADOSA-N 1 0 289.467 3.276 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)CC2=CCCOC2)cc1 ZINC000768208013 627468741 /nfs/dbraw/zinc/46/87/41/627468741.db2.gz MAKFGBOKWNLVCT-UHFFFAOYSA-N 1 0 288.435 3.311 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C2CC(C(F)F)C2)cc1F ZINC000768685146 627492918 /nfs/dbraw/zinc/49/29/18/627492918.db2.gz AKMRWLFZMSGBLV-UHFFFAOYSA-N 1 0 272.314 3.025 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2CCN(C)c3ccccc3C2)cc1C ZINC000769320842 627541392 /nfs/dbraw/zinc/54/13/92/627541392.db2.gz YKNZFGXMTFOOIG-UHFFFAOYSA-N 1 0 296.414 3.461 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CCc2c(F)cccc2C1 ZINC000769387104 627547519 /nfs/dbraw/zinc/54/75/19/627547519.db2.gz INMPWTINJSYSJN-UHFFFAOYSA-N 1 0 287.334 3.098 20 10 CGCDRO C[C@@]1(O)CCC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000769469458 627556052 /nfs/dbraw/zinc/55/60/52/627556052.db2.gz YOSZGGVVVMQVTH-LJQANCHMSA-N 1 0 297.398 3.406 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@]3(CCCOC3)C2)c1 ZINC000769485177 627559379 /nfs/dbraw/zinc/55/93/79/627559379.db2.gz LPHWCFPLSVWYHF-QGZVFWFLSA-N 1 0 275.392 3.093 20 10 CGCDRO CCc1noc(C)c1[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000769868099 627584904 /nfs/dbraw/zinc/58/49/04/627584904.db2.gz NYHNPSIFMHGCCM-GFCCVEGCSA-N 1 0 287.407 3.462 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2ccc3c(c2)COC3)c1 ZINC000769929250 627590474 /nfs/dbraw/zinc/59/04/74/627590474.db2.gz XNVGGTVHPDVUQB-UHFFFAOYSA-N 1 0 269.344 3.021 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]CC2(CO)CCCC2)c2c1c(F)ccc2O ZINC000769995769 627596466 /nfs/dbraw/zinc/59/64/66/627596466.db2.gz KRGNODXIFAUYGE-YPMHNXCESA-N 1 0 293.382 3.222 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CC[C@H](OCC(C)C)C2)c(O)c1 ZINC000770329198 627613844 /nfs/dbraw/zinc/61/38/44/627613844.db2.gz SGNNZYXZUIACEL-INIZCTEOSA-N 1 0 293.407 3.038 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@]2(C)CCCOC2)cc1F ZINC000771890143 627741296 /nfs/dbraw/zinc/74/12/96/627741296.db2.gz AJNRCIROAQJDAG-QGZVFWFLSA-N 1 0 294.414 3.331 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCSC[C@H]2C)cc1 ZINC000773754296 627911103 /nfs/dbraw/zinc/91/11/03/627911103.db2.gz QNLNWYAKRMMPPW-CYBMUJFWSA-N 1 0 264.438 3.080 20 10 CGCDRO CCCC[N@H+](CCCO)Cc1ccc(N(C)CC)cc1 ZINC000773832326 627917713 /nfs/dbraw/zinc/91/77/13/627917713.db2.gz OWJLMMBMJFNMQI-UHFFFAOYSA-N 1 0 278.440 3.127 20 10 CGCDRO CCN(C)c1ccc(C[NH2+][C@@]2(C)CCO[C@@H]2C2CC2)cc1 ZINC000773834129 627918896 /nfs/dbraw/zinc/91/88/96/627918896.db2.gz CIOFOYKIWUJCSN-MSOLQXFVSA-N 1 0 288.435 3.190 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@H](C)C[C@H]2[C@H](C)O)cc1 ZINC000773888882 627925234 /nfs/dbraw/zinc/92/52/34/627925234.db2.gz RVAYNOSHKBVUNE-MPGHIAIKSA-N 1 0 290.451 3.124 20 10 CGCDRO COc1cccc(O)c1C[NH2+]CC(C(C)C)C(C)C ZINC000775014200 628053239 /nfs/dbraw/zinc/05/32/39/628053239.db2.gz ZBNFVPKCTIZZEU-UHFFFAOYSA-N 1 0 265.397 3.419 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C)c1nccn1C ZINC000775393467 628089442 /nfs/dbraw/zinc/08/94/42/628089442.db2.gz MEOWCSGEQRSEDC-MRXNPFEDSA-N 1 0 286.423 3.035 20 10 CGCDRO CC[C@H]([NH2+]C[C@H](C)N(C)C)c1cc(Cl)ccc1O ZINC000775499355 628101143 /nfs/dbraw/zinc/10/11/43/628101143.db2.gz RDYFMMBAQQAZCG-GWCFXTLKSA-N 1 0 270.804 3.036 20 10 CGCDRO CC[C@@H]([NH2+]CC1(O)CCCC1)c1cc(Cl)ccc1O ZINC000775503942 628101601 /nfs/dbraw/zinc/10/16/01/628101601.db2.gz QSFIEOBLEDCWSA-CYBMUJFWSA-N 1 0 283.799 3.391 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)CCCO)c1cc(Cl)ccc1O ZINC000775512722 628102605 /nfs/dbraw/zinc/10/26/05/628102605.db2.gz MEHZHCNVWZAQSO-GWCFXTLKSA-N 1 0 271.788 3.247 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cccc(F)n1)c1ccccc1O ZINC000775523242 628103592 /nfs/dbraw/zinc/10/35/92/628103592.db2.gz GRMQXUNXNXRLOL-CYBMUJFWSA-N 1 0 260.312 3.167 20 10 CGCDRO CC[C@H]([NH2+]CCC1(C)OCCO1)c1cc(Cl)ccc1O ZINC000775555682 628106537 /nfs/dbraw/zinc/10/65/37/628106537.db2.gz OBYKPOTZUHSDBY-ZDUSSCGKSA-N 1 0 299.798 3.239 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CCOc3ccccc3[C@H]2C)c1 ZINC000775658257 628121197 /nfs/dbraw/zinc/12/11/97/628121197.db2.gz MCZJWKNOAVXDEI-CYBMUJFWSA-N 1 0 299.370 3.356 20 10 CGCDRO CCC[N@H+](Cc1cc(Cl)cc(C)c1O)CC(C)(C)O ZINC000775676920 628123457 /nfs/dbraw/zinc/12/34/57/628123457.db2.gz BDVGWGDCQBQXGF-UHFFFAOYSA-N 1 0 285.815 3.337 20 10 CGCDRO Cc1cc(Cl)cc(C[NH+]2C[C@H](C)[C@@H](C)C2)c1O ZINC000775706792 628127479 /nfs/dbraw/zinc/12/74/79/628127479.db2.gz DKOBGYIAEDEYSV-QWRGUYRKSA-N 1 0 253.773 3.442 20 10 CGCDRO Cc1cccc(C[NH+]2CC(c3nc4ccccc4[nH]3)C2)c1O ZINC000775716705 628129309 /nfs/dbraw/zinc/12/93/09/628129309.db2.gz ZXLPOSWWODHLJC-UHFFFAOYSA-N 1 0 293.370 3.176 20 10 CGCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)cc2C)C1(C)C ZINC000776159653 628172140 /nfs/dbraw/zinc/17/21/40/628172140.db2.gz YUOJANJHGARBIX-IAGOWNOFSA-N 1 0 290.451 3.354 20 10 CGCDRO C[C@H](Cc1cccc(O)c1)[NH2+]Cc1cc(Cl)ccc1O ZINC000776175036 628176830 /nfs/dbraw/zinc/17/68/30/628176830.db2.gz WCJREFNCPPOKKW-LLVKDONJSA-N 1 0 291.778 3.472 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H](C)c2cnccc2C)c1O ZINC000776254992 628185432 /nfs/dbraw/zinc/18/54/32/628185432.db2.gz RVLHBCCJRSWFGM-ZDUSSCGKSA-N 1 0 256.349 3.255 20 10 CGCDRO CO[C@H]1CCC[C@@H]1C[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000776255703 628185435 /nfs/dbraw/zinc/18/54/35/628185435.db2.gz GURBYNMHUBXNBZ-RISCZKNCSA-N 1 0 283.799 3.259 20 10 CGCDRO C[C@H](CCO)C1(C[NH2+]Cc2cc(Cl)ccc2O)CCC1 ZINC000776258073 628185999 /nfs/dbraw/zinc/18/59/99/628185999.db2.gz QADSPEKGIWHGKH-GFCCVEGCSA-N 1 0 297.826 3.324 20 10 CGCDRO COc1cccc(O)c1C[NH2+][C@@H]1CCO[C@H](CC(C)C)C1 ZINC000776949001 628240603 /nfs/dbraw/zinc/24/06/03/628240603.db2.gz JGOQVBOBFWQFBI-ZIAGYGMSSA-N 1 0 293.407 3.084 20 10 CGCDRO CC(C)C[C@H]1C[C@H]([NH2+]Cc2ccccc2O)CCO1 ZINC000776950430 628240627 /nfs/dbraw/zinc/24/06/27/628240627.db2.gz BGTBZZRZABFEDP-CABCVRRESA-N 1 0 263.381 3.076 20 10 CGCDRO CC[C@H]([NH2+]CCOC1CCC1)c1ccc(N(C)C)cc1 ZINC000777122219 628250833 /nfs/dbraw/zinc/25/08/33/628250833.db2.gz UEPPXPNARULEAS-KRWDZBQOSA-N 1 0 276.424 3.362 20 10 CGCDRO C[C@H]1CC[N@H+](Cc2cc3c(cc2O)CCC3)C[C@H]1F ZINC000777970074 628317636 /nfs/dbraw/zinc/31/76/36/628317636.db2.gz VAHMDRQWQSBIFY-XHDPSFHLSA-N 1 0 263.356 3.061 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](OC(F)F)C2)cc1C ZINC000781150446 628540734 /nfs/dbraw/zinc/54/07/34/628540734.db2.gz DOVKTMQXTNDWDW-ZDUSSCGKSA-N 1 0 285.334 3.213 20 10 CGCDRO CCC[C@@H](C)[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000782192251 628622660 /nfs/dbraw/zinc/62/26/60/628622660.db2.gz AHOFFUYJUJBWRI-OAHLLOKOSA-N 1 0 276.424 3.396 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2c2cccnc2)cc1 ZINC000805746832 628718752 /nfs/dbraw/zinc/71/87/52/628718752.db2.gz KQSGKXGXFUZMQM-GOSISDBHSA-N 1 0 281.403 3.485 20 10 CGCDRO C[C@@H]([NH2+]CCCC(=O)OC(C)(C)C)c1ccccc1O ZINC000783515723 628719926 /nfs/dbraw/zinc/71/99/26/628719926.db2.gz AAWNNEHGJGMSOW-GFCCVEGCSA-N 1 0 279.380 3.165 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)c1ccccc1O)C1CCOCC1 ZINC000783517981 628720191 /nfs/dbraw/zinc/72/01/91/628720191.db2.gz MCRMHRCLXXQTJC-DOMZBBRYSA-N 1 0 263.381 3.248 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)Cc1ccncc1)c1ccccc1O ZINC000783518528 628720822 /nfs/dbraw/zinc/72/08/22/628720822.db2.gz DEBWHVRQAALGBF-QWHCGFSZSA-N 1 0 256.349 3.069 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CC[C@H]2SCCS[C@H]12)c1ccccc1O ZINC000783523289 628721498 /nfs/dbraw/zinc/72/14/98/628721498.db2.gz BFHKXBYYMDHGHH-QMGNLALYSA-N 1 0 295.473 3.422 20 10 CGCDRO C[C@@H](Nc1cnn(-c2cc[nH+]cc2)c1)c1ccccc1O ZINC000783529454 628722580 /nfs/dbraw/zinc/72/25/80/628722580.db2.gz UTGBXGZBQDQRKO-GFCCVEGCSA-N 1 0 280.331 3.146 20 10 CGCDRO CO[C@@H](CC[NH2+]Cc1cc(Cl)ccc1O)C(F)(F)F ZINC000786822810 628965048 /nfs/dbraw/zinc/96/50/48/628965048.db2.gz CWMRZBSUFLTPQE-NSHDSACASA-N 1 0 297.704 3.103 20 10 CGCDRO CC[C@H]([NH2+]CC[C@H](OC)C(F)(F)F)c1ccccc1O ZINC000786951160 628972508 /nfs/dbraw/zinc/97/25/08/628972508.db2.gz URKXBELNBCQKCA-AAEUAGOBSA-N 1 0 291.313 3.400 20 10 CGCDRO CS[C@H](C)C[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000788668304 629071403 /nfs/dbraw/zinc/07/14/03/629071403.db2.gz AIWHHADNJWFDIX-NEPJUHHUSA-N 1 0 253.411 3.411 20 10 CGCDRO CCOc1ccc(C[NH2+]CCC2CC(OCC)C2)c(O)c1 ZINC000788969051 629092057 /nfs/dbraw/zinc/09/20/57/629092057.db2.gz GFMXMCYLFDQYRF-UHFFFAOYSA-N 1 0 293.407 3.086 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H](O)CC1CCCC1)c1ccc(N(C)C)cc1 ZINC000789388802 629129430 /nfs/dbraw/zinc/12/94/30/629129430.db2.gz RFMMLUAPHQEMBM-KDOFPFPSSA-N 1 0 290.451 3.344 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@]3(C2)CCCOC3)c1 ZINC000789566943 629145253 /nfs/dbraw/zinc/14/52/53/629145253.db2.gz OZTJOJHOROOKAC-KRWDZBQOSA-N 1 0 275.392 3.012 20 10 CGCDRO CC(C)C[C@@]1(CO)CCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000789593090 629149631 /nfs/dbraw/zinc/14/96/31/629149631.db2.gz LTRGNMYLKPDLMT-GOSISDBHSA-N 1 0 290.451 3.126 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCSC2)c2c1c(F)ccc2O ZINC000790495638 629213542 /nfs/dbraw/zinc/21/35/42/629213542.db2.gz JUTBFQNNYXHEAA-JFGNBEQYSA-N 1 0 281.396 3.422 20 10 CGCDRO Cc1cc(Cl)cc(C[N@H+]2CCCC[C@H]2C[C@H](C)O)c1O ZINC000790934113 629241258 /nfs/dbraw/zinc/24/12/58/629241258.db2.gz DZGPXSWPISAWPG-WFASDCNBSA-N 1 0 297.826 3.479 20 10 CGCDRO COC1(C[NH2+]Cc2ccc(N(C)C)cc2C)CCCCC1 ZINC000790964914 629243623 /nfs/dbraw/zinc/24/36/23/629243623.db2.gz RGFFVTXKXFVNGZ-UHFFFAOYSA-N 1 0 290.451 3.500 20 10 CGCDRO Cc1c[nH]c(C[N@H+](Cc2ccccc2O)C2CCCC2)n1 ZINC000862243148 629330344 /nfs/dbraw/zinc/33/03/44/629330344.db2.gz XIVQGOYKDDWASX-UHFFFAOYSA-N 1 0 285.391 3.369 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CCCC(F)(F)CC2)c(O)c1 ZINC000862465975 629382442 /nfs/dbraw/zinc/38/24/42/629382442.db2.gz ANLIXQWGBKSQLB-UHFFFAOYSA-N 1 0 285.334 3.412 20 10 CGCDRO COC1(C[C@@H](C)[NH2+]Cc2cc(C)ccc2O)CCC1 ZINC000862476941 629384318 /nfs/dbraw/zinc/38/43/18/629384318.db2.gz ACPCBLAOKKIHNS-CYBMUJFWSA-N 1 0 263.381 3.138 20 10 CGCDRO CCc1cccc(F)c1C[NH2+]Cc1cc(OC)ccc1O ZINC000792980350 629399696 /nfs/dbraw/zinc/39/96/96/629399696.db2.gz ASECJFCXYJSWRX-UHFFFAOYSA-N 1 0 289.350 3.392 20 10 CGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H]1c1ccccc1)OCO2 ZINC000014307558 629440516 /nfs/dbraw/zinc/44/05/16/629440516.db2.gz XRRBJUCSYBXSJD-HNNXBMFYSA-N 1 0 297.354 3.458 20 10 CGCDRO Cc1cc([C@H](C)[NH2+]Cc2ccc(N3CCCC3)cc2)n(C)n1 ZINC000793522933 629474952 /nfs/dbraw/zinc/47/49/52/629474952.db2.gz GXTHLTVBWAEVHN-HNNXBMFYSA-N 1 0 298.434 3.180 20 10 CGCDRO CO[C@]1(C)CCC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000794654197 629564004 /nfs/dbraw/zinc/56/40/04/629564004.db2.gz GQYXHPYCEWWGNJ-GOSISDBHSA-N 1 0 289.419 3.272 20 10 CGCDRO CC[C@H]([NH2+]CCN1CCCCC1)c1ccc(C)cc1O ZINC000794791863 629577244 /nfs/dbraw/zinc/57/72/44/629577244.db2.gz JTCQIROCZHOBKQ-INIZCTEOSA-N 1 0 276.424 3.227 20 10 CGCDRO CC[C@@H](C)N(C)CC[NH2+][C@@H](CC)c1ccc(C)cc1O ZINC000794801739 629579560 /nfs/dbraw/zinc/57/95/60/629579560.db2.gz BDHRTYLFPVXCQT-ZBFHGGJFSA-N 1 0 278.440 3.472 20 10 CGCDRO CC[C@H]([NH2+]CC1(OC)CCC1)c1ccc(C)cc1O ZINC000794817992 629581050 /nfs/dbraw/zinc/58/10/50/629581050.db2.gz PKSSNSAFHYMARS-AWEZNQCLSA-N 1 0 263.381 3.310 20 10 CGCDRO CC[C@H]([NH2+]CC[C@@H]1CCOC1)c1ccc(C)cc1O ZINC000794819790 629582507 /nfs/dbraw/zinc/58/25/07/629582507.db2.gz YCRJHRQMGQBBDS-HIFRSBDPSA-N 1 0 263.381 3.168 20 10 CGCDRO CC[C@H]([NH2+]CCN1CC=CCC1)c1cc(Cl)ccc1O ZINC000794831991 629584412 /nfs/dbraw/zinc/58/44/12/629584412.db2.gz FWRXMSFLEXNLJA-HNNXBMFYSA-N 1 0 294.826 3.348 20 10 CGCDRO CCC[N@H+](Cc1ccccc1O)[C@@H](CC(C)C)C(=O)OC ZINC000795925498 629726690 /nfs/dbraw/zinc/72/66/90/629726690.db2.gz HHMSNYPIBVXYOJ-HNNXBMFYSA-N 1 0 293.407 3.192 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)Cc2ccnc(C)n2)cc1 ZINC000796439224 629781050 /nfs/dbraw/zinc/78/10/50/629781050.db2.gz KTCFQLFOBTZKRQ-UHFFFAOYSA-N 1 0 298.434 3.263 20 10 CGCDRO Oc1ccc(-c2csc([C@H]3CCCC[NH2+]3)n2)cc1O ZINC000864344897 629815343 /nfs/dbraw/zinc/81/53/43/629815343.db2.gz JPMIPULNLPQKGK-SNVBAGLBSA-N 1 0 276.361 3.036 20 10 CGCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CC(C)=C[C@H](C)C2)c1O ZINC000797526278 629956965 /nfs/dbraw/zinc/95/69/65/629956965.db2.gz LAIVIGAQIQLHRJ-JTQLQIEISA-N 1 0 277.339 3.132 20 10 CGCDRO c1cc2cc(CC[NH2+]Cc3ccc4c(c3)CCO4)ccc2[nH]1 ZINC000799350994 630173629 /nfs/dbraw/zinc/17/36/29/630173629.db2.gz YYEJDVXFSKHGBM-UHFFFAOYSA-N 1 0 292.382 3.435 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCc3cccnc3CC2)c1 ZINC000865641511 630246154 /nfs/dbraw/zinc/24/61/54/630246154.db2.gz ZBDBWALKCISAFV-MRXNPFEDSA-N 1 0 282.387 3.133 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+]CC[C@@H]2CCSC2)cc1 ZINC000865651899 630252707 /nfs/dbraw/zinc/25/27/07/630252707.db2.gz IVSQSNWQYKHNPQ-QDLOVBKTSA-N 1 0 290.476 3.499 20 10 CGCDRO CCOc1ccc(C[NH2+]CC[C@H]2CCSC2)c(O)c1 ZINC000865654002 630255068 /nfs/dbraw/zinc/25/50/68/630255068.db2.gz FBZPIUFNAHQRHY-LBPRGKRZSA-N 1 0 281.421 3.024 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCC23CCC3)cc1F ZINC000800474262 630283817 /nfs/dbraw/zinc/28/38/17/630283817.db2.gz JRAPWTKRPIPELF-HNNXBMFYSA-N 1 0 262.372 3.314 20 10 CGCDRO COCC1(C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)CCC1 ZINC000800493098 630287728 /nfs/dbraw/zinc/28/77/28/630287728.db2.gz JFSKGMNLQNQXOZ-YPMHNXCESA-N 1 0 293.382 3.486 20 10 CGCDRO CC[C@H](C)[C@H](O)C[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808696152 630294970 /nfs/dbraw/zinc/29/49/70/630294970.db2.gz SOFMTWGUBCHBBB-DRCTWCGVSA-N 1 0 285.815 3.412 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](CCO)C2CC2)c1O ZINC000808707126 630296347 /nfs/dbraw/zinc/29/63/47/630296347.db2.gz DWDTXCDGJWESQC-QMTHXVAHSA-N 1 0 283.799 3.166 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](CO)CC(F)F)c1O ZINC000808715499 630296606 /nfs/dbraw/zinc/29/66/06/630296606.db2.gz GXZNSXOGTBQFKU-WPRPVWTQSA-N 1 0 293.741 3.021 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@H+]2CCC[C@@H](c3ccnn3C)C2)c1 ZINC000800858273 630306152 /nfs/dbraw/zinc/30/61/52/630306152.db2.gz LDJXUIXHCGDZBE-OAHLLOKOSA-N 1 0 299.418 3.122 20 10 CGCDRO CCOc1ccc(C[NH2+][C@@]23C[C@@H]2CCCC3)c(O)c1 ZINC000865703680 630397504 /nfs/dbraw/zinc/39/75/04/630397504.db2.gz LHZVKQISAQNHJZ-BBRMVZONSA-N 1 0 261.365 3.213 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H](CO)C(C)C)cc1 ZINC000806169094 630552284 /nfs/dbraw/zinc/55/22/84/630552284.db2.gz IBMIFVVXIIRFJH-HOCLYGCPSA-N 1 0 278.440 3.058 20 10 CGCDRO Oc1cc2c(cc1C[N@@H+]1C[C@]3(CCCO3)[C@H]1C1CC1)CCC2 ZINC000840094696 630590942 /nfs/dbraw/zinc/59/09/42/630590942.db2.gz MOXCTPACBLZVAD-RTBURBONSA-N 1 0 299.414 3.024 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@](O)(C(F)F)C2)cc1C(C)C ZINC000840114208 630598686 /nfs/dbraw/zinc/59/86/86/630598686.db2.gz HAVPPKOPKZWLRX-INIZCTEOSA-N 1 0 299.361 3.026 20 10 CGCDRO COC[C@@H](C)[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808671922 630662465 /nfs/dbraw/zinc/66/24/65/630662465.db2.gz WBUPOXPVHBGBGZ-NXEZZACHSA-N 1 0 257.761 3.040 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2O)c1O ZINC000808694603 630665855 /nfs/dbraw/zinc/66/58/55/630665855.db2.gz FDPICMQDDXVGOM-GDLCADMTSA-N 1 0 283.799 3.308 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)c2cnn(C)c2)c1O ZINC000808698701 630666632 /nfs/dbraw/zinc/66/66/32/630666632.db2.gz KKICYUBHGLQMRE-MNOVXSKESA-N 1 0 293.798 3.499 20 10 CGCDRO CC[C@H](O)CC[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808703277 630667138 /nfs/dbraw/zinc/66/71/38/630667138.db2.gz VVGFZDCIDXHMRD-JQWIXIFHSA-N 1 0 271.788 3.166 20 10 CGCDRO COC[C@H]([NH2+][C@@H](C)c1cc(Cl)cc(C)c1O)C1CC1 ZINC000808707883 630667545 /nfs/dbraw/zinc/66/75/45/630667545.db2.gz BPTYAYUGVGQJAN-HZMBPMFUSA-N 1 0 283.799 3.430 20 10 CGCDRO CCCCN(C)C[C@H](C)[NH2+][C@H](C)c1ccc(C)cc1O ZINC000808732334 630672710 /nfs/dbraw/zinc/67/27/10/630672710.db2.gz JEVCYNIQCNXNHF-LSDHHAIUSA-N 1 0 278.440 3.472 20 10 CGCDRO CSC1(C[NH2+]Cc2ccc(N(C)C)cc2C)CC1 ZINC000809618168 630763134 /nfs/dbraw/zinc/76/31/34/630763134.db2.gz DNQZPUCRRBPVMG-UHFFFAOYSA-N 1 0 264.438 3.046 20 10 CGCDRO CCCC[C@](C)(CO)[NH2+]Cc1ccc(OC)c(C)c1 ZINC000842748280 635458568 /nfs/dbraw/zinc/45/85/68/635458568.db2.gz ZTROKWOZJWMYDL-MRXNPFEDSA-N 1 0 265.397 3.034 20 10 CGCDRO C[N@H+](Cc1ccc(O)cc1)Cc1c(O)cccc1Cl ZINC000809753405 630800283 /nfs/dbraw/zinc/80/02/83/630800283.db2.gz IBIDBUJVZBBTFJ-UHFFFAOYSA-N 1 0 277.751 3.383 20 10 CGCDRO CCOc1ccc(C[N@H+](Cc2ccccn2)C2CC2)c(O)c1 ZINC000809763539 630802155 /nfs/dbraw/zinc/80/21/55/630802155.db2.gz OSGCSUHVXZOXLH-UHFFFAOYSA-N 1 0 298.386 3.351 20 10 CGCDRO COCC1(C[NH2+]Cc2c(O)cccc2OC)CCCCC1 ZINC000810178111 630850732 /nfs/dbraw/zinc/85/07/32/630850732.db2.gz NWILJZNJGMFJBG-UHFFFAOYSA-N 1 0 293.407 3.087 20 10 CGCDRO CC[C@@H]([NH2+]CCOC)c1ccc(C(F)(F)F)cc1O ZINC000810208076 630853491 /nfs/dbraw/zinc/85/34/91/630853491.db2.gz RTJJXGJSJIJQGK-LLVKDONJSA-N 1 0 277.286 3.098 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)CN(C)C(C)C)c(O)c1C ZINC000810244458 630858016 /nfs/dbraw/zinc/85/80/16/630858016.db2.gz DTPOFVGQHIFIMD-DZGCQCFKSA-N 1 0 278.440 3.388 20 10 CGCDRO CC[C@@H]([NH2+]CCc1cn[nH]c1)c1cc(Cl)ccc1O ZINC000810246485 630858790 /nfs/dbraw/zinc/85/87/90/630858790.db2.gz AXCXWRBGONLRJP-CYBMUJFWSA-N 1 0 279.771 3.052 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](C)CN(C)C(C)C)c1ccc(C)cc1O ZINC000810245111 630859286 /nfs/dbraw/zinc/85/92/86/630859286.db2.gz RRWUVDSKTWDVEM-GOEBONIOSA-N 1 0 278.440 3.470 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H](CO)C2CCCC2)cc1 ZINC000810259374 630861407 /nfs/dbraw/zinc/86/14/07/630861407.db2.gz HYUWVCHPOOCQCY-RDTXWAMCSA-N 1 0 290.451 3.344 20 10 CGCDRO COCC1(CC[NH2+][C@@H](C)c2ccc(C)cc2O)CC1 ZINC000842890981 635505897 /nfs/dbraw/zinc/50/58/97/635505897.db2.gz OYDXEHTYJUHHIJ-ZDUSSCGKSA-N 1 0 263.381 3.168 20 10 CGCDRO CSC1(C[NH2+]Cc2ccc(N(C)C)cc2C)CCC1 ZINC000811479913 631072136 /nfs/dbraw/zinc/07/21/36/631072136.db2.gz MVHXBCGONHNENU-UHFFFAOYSA-N 1 0 278.465 3.436 20 10 CGCDRO COCC1(C[NH2+]Cc2cc(F)ccc2O)CCCCC1 ZINC000811518508 631083233 /nfs/dbraw/zinc/08/32/33/631083233.db2.gz NDGIEOSVQBGRLW-UHFFFAOYSA-N 1 0 281.371 3.218 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+][C@H](C2CC2)C(C)(C)CO)c1O ZINC000811519368 631083693 /nfs/dbraw/zinc/08/36/93/631083693.db2.gz VORWYPXZBMLYAB-OAHLLOKOSA-N 1 0 297.826 3.241 20 10 CGCDRO Cc1nnsc1C[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000813884609 631476952 /nfs/dbraw/zinc/47/69/52/631476952.db2.gz MWWPMEUMCHNIGQ-OIBJUYFYSA-N 1 0 293.367 3.029 20 10 CGCDRO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000815017124 631703286 /nfs/dbraw/zinc/70/32/86/631703286.db2.gz GJZCJFVYBDHYGL-ZBFHGGJFSA-N 1 0 276.424 3.060 20 10 CGCDRO Cc1cc(C[NH+]2CCC(c3cn[nH]c3)CC2)ccc1N(C)C ZINC000815031665 631705475 /nfs/dbraw/zinc/70/54/75/631705475.db2.gz AHLHYVJZAGFMES-UHFFFAOYSA-N 1 0 298.434 3.164 20 10 CGCDRO Cc1cc(C[N@H+](C)[C@H](CO)c2ccccc2)ccc1N(C)C ZINC000815037356 631706517 /nfs/dbraw/zinc/70/65/17/631706517.db2.gz IYTPGHCXERAHBY-LJQANCHMSA-N 1 0 298.430 3.226 20 10 CGCDRO Cc1cc(C[N@H+](C)C2CCC(CO)CC2)ccc1N(C)C ZINC000815075002 631711821 /nfs/dbraw/zinc/71/18/21/631711821.db2.gz KSXSIDARZYQZFG-UHFFFAOYSA-N 1 0 290.451 3.044 20 10 CGCDRO CCC[C@]1([NH2+]Cc2ccc(N(C)C)c(C)c2)CCOC1 ZINC000815117038 631719864 /nfs/dbraw/zinc/71/98/64/631719864.db2.gz GTUQAACBMOGPOV-KRWDZBQOSA-N 1 0 276.424 3.110 20 10 CGCDRO CCOC[C@H]([NH2+]Cc1ccc(N(C)CC)cc1)C(C)C ZINC000815116618 631719873 /nfs/dbraw/zinc/71/98/73/631719873.db2.gz XCBPMEOYGOWVTI-KRWDZBQOSA-N 1 0 278.440 3.293 20 10 CGCDRO CCOc1ccc(O)c(CNc2cc3c(c[nH+]2)CCC3)c1 ZINC000815159676 631732812 /nfs/dbraw/zinc/73/28/12/631732812.db2.gz XRIACUMIPMUHKY-UHFFFAOYSA-N 1 0 284.359 3.287 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(N(CC)CC)c(F)c1)C(C)(C)O ZINC000815155523 631733055 /nfs/dbraw/zinc/73/30/55/631733055.db2.gz RGBVWSVTEGSRCJ-INIZCTEOSA-N 1 0 296.430 3.311 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CCCCO2)c(O)c1 ZINC000815566184 631796939 /nfs/dbraw/zinc/79/69/39/631796939.db2.gz LFGMWUWOPWUDOX-ZIAGYGMSSA-N 1 0 263.381 3.229 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCN(CC3CC3)C2)c(O)c1 ZINC000815578692 631798811 /nfs/dbraw/zinc/79/88/11/631798811.db2.gz TZUKOUHOXIJPRS-GOEBONIOSA-N 1 0 288.435 3.144 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCOC2(C)C)cc1F ZINC000815578247 631799593 /nfs/dbraw/zinc/79/95/93/631799593.db2.gz KJCKKOXSTLDOJN-MRXNPFEDSA-N 1 0 294.414 3.329 20 10 CGCDRO CO[C@H](C[NH2+][C@H](C)c1cc(Cl)cc(C)c1O)C1CC1 ZINC000815651344 631812214 /nfs/dbraw/zinc/81/22/14/631812214.db2.gz QITSCNGXKVZPKF-QMTHXVAHSA-N 1 0 283.799 3.430 20 10 CGCDRO CO[C@@H](C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)C1CC1 ZINC000815650944 631812249 /nfs/dbraw/zinc/81/22/49/631812249.db2.gz FXLSNEJXSIBZBJ-SGTLLEGYSA-N 1 0 289.419 3.347 20 10 CGCDRO Oc1c(C[NH2+]C[C@H]2CCC[C@@H](O)C2)ccc2ccccc21 ZINC000816553503 632010269 /nfs/dbraw/zinc/01/02/69/632010269.db2.gz XRRAUVWAZIUGSF-XJKSGUPXSA-N 1 0 285.387 3.186 20 10 CGCDRO [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000816603249 632020689 /nfs/dbraw/zinc/02/06/89/632020689.db2.gz DDWQMLSIVDXXGU-HNNXBMFYSA-N 1 0 299.773 3.187 20 10 CGCDRO CO[C@@](C)(C[NH2+]Cc1ccc2ccccc2c1O)C1CC1 ZINC000816616003 632024324 /nfs/dbraw/zinc/02/43/24/632024324.db2.gz LZKHPKHSGWNEQY-SFHVURJKSA-N 1 0 285.387 3.450 20 10 CGCDRO CC[C@@H]1C[C@H]([NH2+]C/C=C\c2ccc(N(C)C)cc2)CCO1 ZINC000817414706 632145054 /nfs/dbraw/zinc/14/50/54/632145054.db2.gz ITLUGOBZXNYSEC-GOVFWEMJSA-N 1 0 288.435 3.313 20 10 CGCDRO C[C@H](N[C@H]1CC[NH2+]C1)c1ccc(N2CCCCCC2)cc1 ZINC000817945148 632241927 /nfs/dbraw/zinc/24/19/27/632241927.db2.gz VTXOMYGDRHUGRX-RDJZCZTQSA-N 1 0 287.451 3.080 20 10 CGCDRO C[C@H](NCC[NH2+]C1CC1)c1ccc(N2CCCCC2)cc1 ZINC000817953747 632249017 /nfs/dbraw/zinc/24/90/17/632249017.db2.gz QFLGUIMLLUFBAD-HNNXBMFYSA-N 1 0 287.451 3.080 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H](N)c1ccccc1)c1cc(Cl)ccc1O ZINC000817954784 632250294 /nfs/dbraw/zinc/25/02/94/632250294.db2.gz JJSICBXKKRHAHJ-IAQYHMDHSA-N 1 0 290.794 3.396 20 10 CGCDRO C[C@@H]([NH2+]C[C@H](N)c1ccccc1)c1cc(Cl)ccc1O ZINC000817954783 632250442 /nfs/dbraw/zinc/25/04/42/632250442.db2.gz JJSICBXKKRHAHJ-ABAIWWIYSA-N 1 0 290.794 3.396 20 10 CGCDRO CCC[C@@H]([NH2+]CCc1ccc(N)cc1)c1cccnc1 ZINC000817957080 632251960 /nfs/dbraw/zinc/25/19/60/632251960.db2.gz IJUYWOABJPYTNA-QGZVFWFLSA-N 1 0 269.392 3.337 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](CN)CC(C)C)c1ccc(N(C)C)cc1 ZINC000817958178 632253843 /nfs/dbraw/zinc/25/38/43/632253843.db2.gz IMYVHLFOJMTCJF-NVXWUHKLSA-N 1 0 277.456 3.167 20 10 CGCDRO CC[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1cccc(Cl)c1[O-] ZINC000817965634 632260148 /nfs/dbraw/zinc/26/01/48/632260148.db2.gz YJWHGZQHKAZIMC-CQSZACIVSA-N 1 0 296.842 3.476 20 10 CGCDRO CC[NH2+][C@H](C)CN[C@H](C)c1ccc2ccccc2c1O ZINC000817971732 632264836 /nfs/dbraw/zinc/26/48/36/632264836.db2.gz GPWQSZJLADEGGW-CHWSQXEVSA-N 1 0 272.392 3.194 20 10 CGCDRO CC[C@H]([NH2+][C@H](CN)C1CCCC1)c1ccc(C)cc1O ZINC000817981409 632271805 /nfs/dbraw/zinc/27/18/05/632271805.db2.gz JAIHIJQRSXCSGN-JKSUJKDBSA-N 1 0 276.424 3.259 20 10 CGCDRO CCC(CC)[NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818344655 632311225 /nfs/dbraw/zinc/31/12/25/632311225.db2.gz PRFXURVSIJAAKA-CQSZACIVSA-N 1 0 276.424 3.300 20 10 CGCDRO CC[C@@H](C[C@@H](C)O)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000865872171 632930838 /nfs/dbraw/zinc/93/08/38/632930838.db2.gz SIZOTLFSGDLGGQ-WBVHZDCISA-N 1 0 290.451 3.316 20 10 CGCDRO CS[C@@H]1CC[C@H]1[NH2+]CCCSc1nccs1 ZINC000822464398 632935155 /nfs/dbraw/zinc/93/51/55/632935155.db2.gz PMYYRSBFHCNVGY-NXEZZACHSA-N 1 0 274.480 3.109 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH+]2CC(CC(F)F)C2)cc1 ZINC000822520619 632960036 /nfs/dbraw/zinc/96/00/36/632960036.db2.gz JENFBIVIGACZDW-ARJAWSKDSA-N 1 0 280.362 3.353 20 10 CGCDRO CC(C)CO[C@H]1CC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000120891025 632997417 /nfs/dbraw/zinc/99/74/17/632997417.db2.gz WRELWQNSBZUSGF-KRWDZBQOSA-N 1 0 289.419 3.128 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCCc3ncccc32)cc1 ZINC000866217996 633032797 /nfs/dbraw/zinc/03/27/97/633032797.db2.gz JWOJSWUGTRDYGC-SFHVURJKSA-N 1 0 281.403 3.315 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@H]2CCCC23CC3)c1O ZINC000866411103 633126204 /nfs/dbraw/zinc/12/62/04/633126204.db2.gz COAPHMZALWTKEV-FZMZJTMJSA-N 1 0 261.365 3.384 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H](C)O[C@H]2C)c(O)c1C ZINC000866444218 633134013 /nfs/dbraw/zinc/13/40/13/633134013.db2.gz ZYYARDLZLIUEIN-GVUJHPQVSA-N 1 0 263.381 3.226 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2F)c1 ZINC000866450167 633139337 /nfs/dbraw/zinc/13/93/37/633139337.db2.gz ONTDKMIBVJLGFA-LEWSCRJBSA-N 1 0 267.344 3.332 20 10 CGCDRO C[C@H]1C[C@H]([NH2+]Cc2ccnc(F)c2)c2c1c(F)ccc2O ZINC000866473433 633147749 /nfs/dbraw/zinc/14/77/49/633147749.db2.gz NKLKWMQIIUSVBW-CABZTGNLSA-N 1 0 290.313 3.404 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]Cc2ccc(C)o2)c1O ZINC000866478369 633150555 /nfs/dbraw/zinc/15/05/55/633150555.db2.gz IXKHVQUZIAFXSB-NSHDSACASA-N 1 0 261.321 3.153 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)Cc1ccoc1 ZINC000823845562 633158927 /nfs/dbraw/zinc/15/89/27/633158927.db2.gz DGGWVHDYLCWOMN-CQSZACIVSA-N 1 0 272.392 3.375 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000823851616 633159036 /nfs/dbraw/zinc/15/90/36/633159036.db2.gz RRSRVOSGTMDHGT-FOLVSLTJSA-N 1 0 276.424 3.107 20 10 CGCDRO Cc1ccc(C[NH2+][C@H]2CCc3cccc(O)c32)cc1[N+](=O)[O-] ZINC000866540003 633182624 /nfs/dbraw/zinc/18/26/24/633182624.db2.gz JAWYTEYUWXFKHP-AWEZNQCLSA-N 1 0 298.342 3.386 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1c2ccccc2CN1C)c1ccccc1O ZINC000866561859 633192653 /nfs/dbraw/zinc/19/26/53/633192653.db2.gz AFCDSQHDNPIAFA-SUMWQHHRSA-N 1 0 282.387 3.230 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CCCn2nccc21)c1cc(Cl)ccc1O ZINC000866634776 633223778 /nfs/dbraw/zinc/22/37/78/633223778.db2.gz ULEDKCQDHXGARO-MFKMUULPSA-N 1 0 291.782 3.428 20 10 CGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@@H]1CCO[C@H](CC)C1 ZINC000824291121 633223924 /nfs/dbraw/zinc/22/39/24/633223924.db2.gz ACFFVBBTVGPISG-IAGOWNOFSA-N 1 0 276.424 3.319 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)CC[C@H]2C)c(O)c1 ZINC000824320972 633230158 /nfs/dbraw/zinc/23/01/58/633230158.db2.gz NEEJWAOCMAUUCT-YWPYICTPSA-N 1 0 263.381 3.315 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000876559536 634858083 /nfs/dbraw/zinc/85/80/83/634858083.db2.gz BXXSOMRXZSQBMC-SFHVURJKSA-N 1 0 283.371 3.274 20 10 CGCDRO COc1cc(C[N@H+](C)Cc2ccc(C)cc2O)ccc1O ZINC000876559957 634858252 /nfs/dbraw/zinc/85/82/52/634858252.db2.gz ALMKWXIXZYTVJP-UHFFFAOYSA-N 1 0 287.359 3.047 20 10 CGCDRO COc1cccc(O)c1C[NH2+]C1CCC(CSC)CC1 ZINC000824650820 633268337 /nfs/dbraw/zinc/26/83/37/633268337.db2.gz RKWVSSRGRWFNLE-UHFFFAOYSA-N 1 0 295.448 3.412 20 10 CGCDRO C[C@H](CC(C)(C)O)[NH2+]Cc1ccc2ccccc2c1O ZINC000824701975 633276102 /nfs/dbraw/zinc/27/61/02/633276102.db2.gz FMCDONHKWJMHHO-GFCCVEGCSA-N 1 0 273.376 3.185 20 10 CGCDRO CC(C)CC[N@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876572674 634859743 /nfs/dbraw/zinc/85/97/43/634859743.db2.gz OZLYWKSPYMARQB-UHFFFAOYSA-N 1 0 290.451 3.126 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCOC3(CCC3)C2)cc1C ZINC000824751311 633283221 /nfs/dbraw/zinc/28/32/21/633283221.db2.gz TZFPZGLOPZHNMB-OAHLLOKOSA-N 1 0 289.419 3.448 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]C(C)(C)C2CCC2)c1 ZINC000824878117 633302899 /nfs/dbraw/zinc/30/28/99/633302899.db2.gz IXTRMCVSAUOVCP-UHFFFAOYSA-N 1 0 263.381 3.459 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@]3(CCSC3)C2)c1 ZINC000825215051 633336328 /nfs/dbraw/zinc/33/63/28/633336328.db2.gz DXQRFCALEQSLSE-INIZCTEOSA-N 1 0 277.433 3.420 20 10 CGCDRO COc1cc(O)c(C[NH2+][C@@H](C)C2CCCC2)cc1OC ZINC000825284706 633342466 /nfs/dbraw/zinc/34/24/66/633342466.db2.gz ZFQRQDFWEBKYFJ-NSHDSACASA-N 1 0 279.380 3.078 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H](O)c2ccsc2)cc1Cl ZINC000825291777 633342721 /nfs/dbraw/zinc/34/27/21/633342721.db2.gz PMKDRWCVDIMOBK-CQSZACIVSA-N 1 0 297.807 3.239 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCc2ccncc2)cc1Cl ZINC000825341525 633348125 /nfs/dbraw/zinc/34/81/25/633348125.db2.gz MTSFRIDECLDLIM-UHFFFAOYSA-N 1 0 276.767 3.081 20 10 CGCDRO Cc1cc(O)c(C[NH+]2CCC(CCCO)CC2)cc1Cl ZINC000825484640 633357088 /nfs/dbraw/zinc/35/70/88/633357088.db2.gz NZTHKRHXAQDQPN-UHFFFAOYSA-N 1 0 297.826 3.339 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C2CC(CF)(CF)C2)c1 ZINC000825933603 633388521 /nfs/dbraw/zinc/38/85/21/633388521.db2.gz BDVAZPARAISZMR-JTQLQIEISA-N 1 0 285.334 3.139 20 10 CGCDRO COc1cc(C[NH+]2CC3(CC3)C2)c(O)c(C(C)(C)C)c1 ZINC000826030151 633399297 /nfs/dbraw/zinc/39/92/97/633399297.db2.gz PZFFIXYVVABEDL-UHFFFAOYSA-N 1 0 275.392 3.294 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCN(C(C)(C)C)C2)cc1Cl ZINC000826871779 633439423 /nfs/dbraw/zinc/43/94/23/633439423.db2.gz BHNSHLAAGZANKB-ZDUSSCGKSA-N 1 0 296.842 3.316 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCCOC(C)(C)C ZINC000827170813 633466591 /nfs/dbraw/zinc/46/65/91/633466591.db2.gz JXRIQSNVSWYPJX-UHFFFAOYSA-N 1 0 278.440 3.356 20 10 CGCDRO Cc1cc(CN2CCOC[C@@H]2C)ccc1N1CCCCC1 ZINC000827400933 633489410 /nfs/dbraw/zinc/48/94/10/633489410.db2.gz VCUWNJDYVARTBE-INIZCTEOSA-N 1 0 288.435 3.206 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@H](C2CCC2)C1 ZINC000827626830 633504097 /nfs/dbraw/zinc/50/40/97/633504097.db2.gz GEUUYGKRFBGDCE-CQSZACIVSA-N 1 0 275.392 3.413 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@H](O)[C@@H](C)c2ccccc2)c1O ZINC000827733827 633513146 /nfs/dbraw/zinc/51/31/46/633513146.db2.gz PGHTYUKUZCZBIA-KSSFIOAISA-N 1 0 299.414 3.209 20 10 CGCDRO Oc1c(C[N@@H+]2CCCc3n[nH]cc3C2)ccc2ccccc21 ZINC000828008436 633547967 /nfs/dbraw/zinc/54/79/67/633547967.db2.gz CKLOJYAEHLYBKW-UHFFFAOYSA-N 1 0 293.370 3.217 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2C[C@H](C)OC3(CCC3)C2)cc1 ZINC000830740375 633882737 /nfs/dbraw/zinc/88/27/37/633882737.db2.gz SITXUBWTWRFFMK-HNNXBMFYSA-N 1 0 288.435 3.286 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)c1O ZINC000846117921 636147539 /nfs/dbraw/zinc/14/75/39/636147539.db2.gz SSVJPSLNMBFBIO-CQSZACIVSA-N 1 0 283.318 3.022 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1)c1cc(F)ccc1O ZINC000872110013 634033977 /nfs/dbraw/zinc/03/39/77/634033977.db2.gz UZNBMXOHISFHIQ-NGOBNIPXSA-N 1 0 279.355 3.140 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]CCC2(CO)CCC2)c2c1c(F)ccc2O ZINC000846210084 636159245 /nfs/dbraw/zinc/15/92/45/636159245.db2.gz JUUGTAZUXCQRJL-DGCLKSJQSA-N 1 0 293.382 3.222 20 10 CGCDRO COC[C@H]1CCC[N@H+](Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000832744112 634090100 /nfs/dbraw/zinc/09/01/00/634090100.db2.gz BPPUFRSXAWWPJH-INIZCTEOSA-N 1 0 290.451 3.310 20 10 CGCDRO COC[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000832744119 634090553 /nfs/dbraw/zinc/09/05/53/634090553.db2.gz BPPUFRSXAWWPJH-MRXNPFEDSA-N 1 0 290.451 3.310 20 10 CGCDRO CCCn1cc(C[N@H+](CCC)Cc2ccccc2O)cn1 ZINC000124039824 634103202 /nfs/dbraw/zinc/10/32/02/634103202.db2.gz QRFRLDWRXKWVGO-UHFFFAOYSA-N 1 0 287.407 3.411 20 10 CGCDRO C[C@H](C[NH2+][C@H]1CCc2cccc(O)c21)N1CCC(C)CC1 ZINC000834543322 634179043 /nfs/dbraw/zinc/17/90/43/634179043.db2.gz DHCJEHTXRZCZKK-ZBFHGGJFSA-N 1 0 288.435 3.090 20 10 CGCDRO C[C@H](CCCc1cccnc1)[NH2+]Cc1ccccc1O ZINC000834554647 634181743 /nfs/dbraw/zinc/18/17/43/634181743.db2.gz FKTIWPKHVRCPGF-CQSZACIVSA-N 1 0 270.376 3.288 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1c(C)nn(C)c1C ZINC000834607332 634197081 /nfs/dbraw/zinc/19/70/81/634197081.db2.gz VEOZIJUZRIFZQY-LSDHHAIUSA-N 1 0 299.418 3.471 20 10 CGCDRO C[C@H](C[NH2+][C@@H]1CCc2cccc(O)c21)c1ccncc1 ZINC000834617124 634198641 /nfs/dbraw/zinc/19/86/41/634198641.db2.gz VJHLWELNLWDZKV-IUODEOHRSA-N 1 0 268.360 3.168 20 10 CGCDRO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3cccc(O)c31)CO2 ZINC000834680905 634218615 /nfs/dbraw/zinc/21/86/15/634218615.db2.gz OETHCFPNLZBBBU-LSDHHAIUSA-N 1 0 281.355 3.411 20 10 CGCDRO COc1ccc(C[NH2+]C[C@H](C)C2CC2)cc1Cn1cccn1 ZINC000873021356 634232061 /nfs/dbraw/zinc/23/20/61/634232061.db2.gz APCVURHZBPAXNA-AWEZNQCLSA-N 1 0 299.418 3.076 20 10 CGCDRO CCCN(CC)C[C@H](C)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834807925 634245641 /nfs/dbraw/zinc/24/56/41/634245641.db2.gz UXPKNZVWGMAALX-DZGCQCFKSA-N 1 0 276.424 3.090 20 10 CGCDRO CCCOc1ccc(C[NH2+]CCCCCO)cc1C ZINC000873116602 634249380 /nfs/dbraw/zinc/24/93/80/634249380.db2.gz KHWBONYYUNDWLL-UHFFFAOYSA-N 1 0 265.397 3.036 20 10 CGCDRO CCCOc1ccc(C[NH2+]CC2=CCOCC2)cc1C ZINC000873129541 634252659 /nfs/dbraw/zinc/25/26/59/634252659.db2.gz QMZJFLAGGDSWLK-UHFFFAOYSA-N 1 0 275.392 3.220 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](C)CCCO)c1O ZINC000834870917 634261501 /nfs/dbraw/zinc/26/15/01/634261501.db2.gz LNXPWHMWAUWARC-ZYHUDNBSSA-N 1 0 285.815 3.413 20 10 CGCDRO CC[C@@H]1C[C@H]1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000834882690 634265781 /nfs/dbraw/zinc/26/57/81/634265781.db2.gz CTJPKJXWYAOKPJ-UXLLHSPISA-N 1 0 288.435 3.220 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)[C@@H](C)O ZINC000834887373 634267595 /nfs/dbraw/zinc/26/75/95/634267595.db2.gz ITELVGQOYPOSAQ-OZVIIMIRSA-N 1 0 277.408 3.081 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC[C@@H]2O)c2c1c(F)ccc2O ZINC000834895731 634272904 /nfs/dbraw/zinc/27/29/04/634272904.db2.gz DIEBDEQTNMTUSZ-OXHZDVMGSA-N 1 0 293.382 3.220 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H]2CCCC[C@@H]2O)cc1 ZINC000834896570 634273097 /nfs/dbraw/zinc/27/30/97/634273097.db2.gz LIXBWYJEFNVIOG-KYJSFNMBSA-N 1 0 290.451 3.344 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)c1ccc(N(C)C)cc1 ZINC000834905301 634281642 /nfs/dbraw/zinc/28/16/42/634281642.db2.gz FNYMMIKSEFZYSI-PVUWLOKVSA-N 1 0 258.409 3.449 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](O)C1CCC1)c1cc(Cl)ccc1O ZINC000834906920 634283651 /nfs/dbraw/zinc/28/36/51/634283651.db2.gz UIPXHOASYBZDQA-DZGCQCFKSA-N 1 0 283.799 3.247 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1cccc(Cl)c1[O-] ZINC000873271338 634313854 /nfs/dbraw/zinc/31/38/54/634313854.db2.gz GSOJBSHAURDCBQ-XHDPSFHLSA-N 1 0 296.842 3.474 20 10 CGCDRO CC[N@H+](C/C=C/c1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000835029647 634326078 /nfs/dbraw/zinc/32/60/78/634326078.db2.gz YLPRQWNCHOBMKZ-FZMUQLTDSA-N 1 0 288.435 3.267 20 10 CGCDRO Cc1nn(C)cc1[C@@H](C)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835036659 634328202 /nfs/dbraw/zinc/32/82/02/634328202.db2.gz DQMBXKMMSVOWII-LMVHVUTASA-N 1 0 298.434 3.159 20 10 CGCDRO Cc1occc1C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835036981 634328565 /nfs/dbraw/zinc/32/85/65/634328565.db2.gz STGOFBIARNEZSZ-SNAWJCMRSA-N 1 0 270.376 3.457 20 10 CGCDRO CC[C@H](C)[C@@](C)(O)C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835041247 634329239 /nfs/dbraw/zinc/32/92/39/634329239.db2.gz XSPBMBVXRQVUCC-QOLZPOHTSA-N 1 0 290.451 3.153 20 10 CGCDRO C[C@@H]1C[C@H](C[NH2+]C/C=C/c2ccc(N(C)C)cc2)CCO1 ZINC000835041791 634329804 /nfs/dbraw/zinc/32/98/04/634329804.db2.gz ASODDFZPSUHMIG-GWOVIKRFSA-N 1 0 288.435 3.171 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+]CCCc2ccccn2)cc1 ZINC000835042428 634330581 /nfs/dbraw/zinc/33/05/81/634330581.db2.gz VLHKOTVPQUOXIE-ALCCZGGFSA-N 1 0 295.430 3.383 20 10 CGCDRO CCOC[C@@H]([NH2+]C/C=C\c1ccc(N(C)C)cc1)C(C)C ZINC000835051191 634337250 /nfs/dbraw/zinc/33/72/50/634337250.db2.gz XCWKDDLSUFIRTD-JTHGQSKGSA-N 1 0 290.451 3.417 20 10 CGCDRO CO[C@@H]([C@@H](C)[NH2+]C/C=C\c1ccc(N(C)C)cc1)C1CC1 ZINC000835055243 634339122 /nfs/dbraw/zinc/33/91/22/634339122.db2.gz SCLGMCKSDRXJRG-GSNRHRRFSA-N 1 0 288.435 3.169 20 10 CGCDRO CCn1ccnc1[C@H](C)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835055038 634339725 /nfs/dbraw/zinc/33/97/25/634339725.db2.gz PDWLRZDQDWPBIN-LFAOLKIESA-N 1 0 298.434 3.333 20 10 CGCDRO CCN(C(=O)C1=CC[C@H]([NH3+])C1)c1ccc2ccccc2c1 ZINC000876627798 634871020 /nfs/dbraw/zinc/87/10/20/634871020.db2.gz CVAIJUPPJLLICN-INIZCTEOSA-N 1 0 280.371 3.240 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCc3ccsc3C2)c(O)c1 ZINC000876743133 634890806 /nfs/dbraw/zinc/89/08/06/634890806.db2.gz ZWPGSWCCUQFVSV-UHFFFAOYSA-N 1 0 259.374 3.320 20 10 CGCDRO CSC[C@@H]1CCC[N@@H+]1Cc1ccc(C)cc1O ZINC000876776920 634897516 /nfs/dbraw/zinc/89/75/16/634897516.db2.gz JBYFHWIMYZCGTM-ZDUSSCGKSA-N 1 0 251.395 3.028 20 10 CGCDRO CC[N@H+](CCc1nccs1)Cc1c(C)cccc1O ZINC000876776529 634898418 /nfs/dbraw/zinc/89/84/18/634898418.db2.gz DAVHULDMSHFTFX-UHFFFAOYSA-N 1 0 276.405 3.222 20 10 CGCDRO COc1ccc(C)cc1C[NH2+]Cc1ccc(C)cc1O ZINC000876911211 634927239 /nfs/dbraw/zinc/92/72/39/634927239.db2.gz XUCNJADSZTUOCC-UHFFFAOYSA-N 1 0 271.360 3.307 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]CCOc1cccc(F)c1 ZINC000876955603 634936293 /nfs/dbraw/zinc/93/62/93/634936293.db2.gz ZFIZDDJPUCXRPD-UHFFFAOYSA-N 1 0 275.323 3.008 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]CC(C)(C)[C@H]1CCCCO1 ZINC000877087434 634980201 /nfs/dbraw/zinc/98/02/01/634980201.db2.gz LTBJRWLRIKEDPB-MRXNPFEDSA-N 1 0 277.408 3.386 20 10 CGCDRO Cc1ccc(C[NH2+][C@H]2CCOC3(CCCC3)C2)c(O)c1 ZINC000877087971 634980504 /nfs/dbraw/zinc/98/05/04/634980504.db2.gz YFABAWCOAAVBET-HNNXBMFYSA-N 1 0 275.392 3.282 20 10 CGCDRO CC[C@H]([NH2+]Cc1cnc(C)o1)c1ccc(N(C)C)cc1 ZINC000840799090 635054049 /nfs/dbraw/zinc/05/40/49/635054049.db2.gz YLQQPESTBATUNU-INIZCTEOSA-N 1 0 273.380 3.290 20 10 CGCDRO Cc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)c(O)c1 ZINC000877487378 635056196 /nfs/dbraw/zinc/05/61/96/635056196.db2.gz UADAYGMYGADVRP-JQWIXIFHSA-N 1 0 273.298 3.473 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](C)CCOC)c1ccc(C)cc1O ZINC000840836036 635060576 /nfs/dbraw/zinc/06/05/76/635060576.db2.gz SADUKYUMXPCALN-ZFWWWQNUSA-N 1 0 265.397 3.414 20 10 CGCDRO CC[C@H]([NH2+]C[C@H](C)CCOC)c1ccc(C)cc1O ZINC000840836034 635061064 /nfs/dbraw/zinc/06/10/64/635061064.db2.gz SADUKYUMXPCALN-HIFRSBDPSA-N 1 0 265.397 3.414 20 10 CGCDRO Cc1ccc([C@@H](O)[C@@H](C)[NH2+]Cc2ccc(C)cc2O)cc1 ZINC000877516692 635067361 /nfs/dbraw/zinc/06/73/61/635067361.db2.gz DENDXSLLOCSLSB-KDOFPFPSSA-N 1 0 285.387 3.221 20 10 CGCDRO Cc1ccc(C[NH2+]CC2(c3ccccn3)CCC2)c(O)c1 ZINC000877518957 635069038 /nfs/dbraw/zinc/06/90/38/635069038.db2.gz NTZZPXHIJPTGTE-UHFFFAOYSA-N 1 0 282.387 3.307 20 10 CGCDRO Cc1ccc(C[NH+]2CCC(c3ccncc3)CC2)c(O)c1 ZINC000877522599 635070569 /nfs/dbraw/zinc/07/05/69/635070569.db2.gz ONUOXRRSFLQDNH-UHFFFAOYSA-N 1 0 282.387 3.475 20 10 CGCDRO COCC1CCC([NH2+][C@@H]2CCc3cccc(O)c32)CC1 ZINC000840875697 635070907 /nfs/dbraw/zinc/07/09/07/635070907.db2.gz IZOUQABIPYGWRX-PESDSKBTSA-N 1 0 275.392 3.174 20 10 CGCDRO COC1([C@H](C)[NH2+][C@@H](C)c2ccc(N(C)C)cc2)CCC1 ZINC000840884065 635072763 /nfs/dbraw/zinc/07/27/63/635072763.db2.gz INIORONPRRKMLX-KBPBESRZSA-N 1 0 276.424 3.361 20 10 CGCDRO CC[C@@H]([NH2+][C@H](C)C1(OC)CCC1)c1ccccc1O ZINC000840883904 635073585 /nfs/dbraw/zinc/07/35/85/635073585.db2.gz HCZIXIDCHNWEEU-TZMCWYRMSA-N 1 0 263.381 3.391 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)C2(OC)CCC2)c1 ZINC000840885356 635074466 /nfs/dbraw/zinc/07/44/66/635074466.db2.gz XOEQQVWVEWVPRR-NWDGAFQWSA-N 1 0 279.380 3.009 20 10 CGCDRO C[C@@H]([NH2+]CC(C)(C)c1cccnc1)c1ccccc1O ZINC000840890643 635076243 /nfs/dbraw/zinc/07/62/43/635076243.db2.gz CELOXWJEQVXSNG-CYBMUJFWSA-N 1 0 270.376 3.416 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCC[C@@H](CO)C1)c1ccc(C)cc1O ZINC000840893746 635077450 /nfs/dbraw/zinc/07/74/50/635077450.db2.gz LYJRZDSMIUEDLW-FMKPAKJESA-N 1 0 277.408 3.292 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H]1CC[C@@H]1C ZINC000840895498 635077929 /nfs/dbraw/zinc/07/79/29/635077929.db2.gz YWOAXFXFZLRQCB-JDFRZJQESA-N 1 0 260.425 3.380 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCOC2CCC2)c(Cl)c1 ZINC000840900635 635078309 /nfs/dbraw/zinc/07/83/09/635078309.db2.gz CHPQVQAUOIMJKA-UHFFFAOYSA-N 1 0 269.772 3.013 20 10 CGCDRO COCc1ccccc1C[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840928768 635083848 /nfs/dbraw/zinc/08/38/48/635083848.db2.gz IUZIZUFLXPISGB-UHFFFAOYSA-N 1 0 298.430 3.497 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@](C)(O)CC2)c(Cl)c1 ZINC000840941361 635088061 /nfs/dbraw/zinc/08/80/61/635088061.db2.gz VKDDHQHLYNCRNA-HNNXBMFYSA-N 1 0 283.799 3.091 20 10 CGCDRO Cc1cc(O)c(C[NH+]2CC(C3CCOCC3)C2)c(Cl)c1 ZINC000840942900 635088744 /nfs/dbraw/zinc/08/87/44/635088744.db2.gz MJVIUSRECKRZLT-UHFFFAOYSA-N 1 0 295.810 3.212 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]Cc1cccc(C(F)(F)F)n1 ZINC000877558390 635089662 /nfs/dbraw/zinc/08/96/62/635089662.db2.gz GJYRGLQZWSDLNB-UHFFFAOYSA-N 1 0 296.292 3.404 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)[C@@H](O)c1ccccc1 ZINC000840946721 635090020 /nfs/dbraw/zinc/09/00/20/635090020.db2.gz NHPRJZRAEHPCRI-DNVCBOLYSA-N 1 0 298.430 3.273 20 10 CGCDRO COC[C@]1(C)CC[N@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000840950634 635090256 /nfs/dbraw/zinc/09/02/56/635090256.db2.gz MDIIPUHRGDOPEQ-OAHLLOKOSA-N 1 0 283.799 3.212 20 10 CGCDRO CCc1nc(C)c(C[NH2+]Cc2ccc(N(C)C)cc2C)o1 ZINC000840949799 635090426 /nfs/dbraw/zinc/09/04/26/635090426.db2.gz CQEAKCQRKBFYFB-UHFFFAOYSA-N 1 0 287.407 3.210 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CCC[C@@H]2C2CC2)c1 ZINC000840954340 635092367 /nfs/dbraw/zinc/09/23/67/635092367.db2.gz HLBAOLBZMDLQRT-XJKSGUPXSA-N 1 0 275.392 3.317 20 10 CGCDRO Oc1cc2c(cc1C[NH2+]C[C@@H]1CCC[C@@H]1C1CC1)OCO2 ZINC000840955620 635093204 /nfs/dbraw/zinc/09/32/04/635093204.db2.gz YLHNADJWZVBFON-GXTWGEPZSA-N 1 0 289.375 3.037 20 10 CGCDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCO[C@@H](c2ccncc2)C1 ZINC000877569346 635095974 /nfs/dbraw/zinc/09/59/74/635095974.db2.gz NMZOKJNXUKKSQR-CRAIPNDOSA-N 1 0 298.386 3.106 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cc(Cl)cc(C)c1O)[C@@H](O)C(C)C ZINC000840967907 635095876 /nfs/dbraw/zinc/09/58/76/635095876.db2.gz KWPARNFFYWKYHG-KGLIPLIRSA-N 1 0 285.815 3.239 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1ccco1 ZINC000840976205 635099281 /nfs/dbraw/zinc/09/92/81/635099281.db2.gz NGUOQJAJXVRRSS-CQSZACIVSA-N 1 0 272.392 3.375 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H](C)Cc2ccc(N(C)C)cc2C)cn1 ZINC000840978087 635099365 /nfs/dbraw/zinc/09/93/65/635099365.db2.gz ZUNDYONAVAGJEZ-INIZCTEOSA-N 1 0 297.446 3.485 20 10 CGCDRO Cc1ccc(C[NH+]2CC(C)(CC(F)(F)F)C2)c(O)c1 ZINC000877581995 635101319 /nfs/dbraw/zinc/10/13/19/635101319.db2.gz CSAHSTHSLRVDAN-UHFFFAOYSA-N 1 0 273.298 3.475 20 10 CGCDRO CC(C)Oc1ccccc1C[NH2+]CCc1ccc(N)cc1 ZINC000841035752 635111316 /nfs/dbraw/zinc/11/13/16/635111316.db2.gz HZOXAGSMRJUOGX-UHFFFAOYSA-N 1 0 284.403 3.388 20 10 CGCDRO C[C@H](C[NH2+]CCc1ccc(N)cc1)Cc1ccccc1 ZINC000841036972 635111475 /nfs/dbraw/zinc/11/14/75/635111475.db2.gz XKFKKTTVOGHJIR-HNNXBMFYSA-N 1 0 268.404 3.280 20 10 CGCDRO Cc1ccc(C[NH2+][C@H]2CCc3ccc(O)cc32)c(O)c1 ZINC000877631335 635122741 /nfs/dbraw/zinc/12/27/41/635122741.db2.gz HBTHFOOGCUNKDC-INIZCTEOSA-N 1 0 269.344 3.183 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@](O)(c2ccccc2)C1 ZINC000877653287 635132332 /nfs/dbraw/zinc/13/23/32/635132332.db2.gz FSXSNMBAHOIZAY-LJQANCHMSA-N 1 0 297.398 3.184 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2c(C)cccc2O)c1 ZINC000877653131 635132586 /nfs/dbraw/zinc/13/25/86/635132586.db2.gz ZNFZBKDQPNZYFB-UHFFFAOYSA-N 1 0 257.333 3.004 20 10 CGCDRO Cc1cccc(C[NH2+]CCSCCC(F)(F)F)c1O ZINC000877730674 635166873 /nfs/dbraw/zinc/16/68/73/635166873.db2.gz DENRLSIBBNQNMY-UHFFFAOYSA-N 1 0 293.354 3.476 20 10 CGCDRO COc1cccc(C[C@@H](C)[NH2+][C@H](C)c2ccccc2O)n1 ZINC000877755959 635184360 /nfs/dbraw/zinc/18/43/60/635184360.db2.gz UWJLXRZQMZACKY-CHWSQXEVSA-N 1 0 286.375 3.078 20 10 CGCDRO CC(C)n1ccnc1C[NH2+][C@@H](C)c1ccccc1O ZINC000877758210 635187517 /nfs/dbraw/zinc/18/75/17/635187517.db2.gz NCXCZCNNAILQCR-LBPRGKRZSA-N 1 0 259.353 3.020 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2C[C@H](C)[C@@H](C)[C@@H]2C)c1O ZINC000841690116 635212617 /nfs/dbraw/zinc/21/26/17/635212617.db2.gz MBGCKHCKOMFNHT-XQQFMLRXSA-N 1 0 263.381 3.186 20 10 CGCDRO Cc1csc([C@H]2CC[N@H+](Cc3ccccc3O)C2)n1 ZINC000877812970 635218632 /nfs/dbraw/zinc/21/86/32/635218632.db2.gz HEBMWRHMCVDCDY-ZDUSSCGKSA-N 1 0 274.389 3.147 20 10 CGCDRO Cc1csc([C@@H]2CC[N@H+](Cc3cc(C)ccc3O)C2)n1 ZINC000877812959 635218760 /nfs/dbraw/zinc/21/87/60/635218760.db2.gz GYLOYFQGKNYDDB-CYBMUJFWSA-N 1 0 288.416 3.455 20 10 CGCDRO CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])C1 ZINC000841744611 635221620 /nfs/dbraw/zinc/22/16/20/635221620.db2.gz JGMKXRJWXRLLHE-CHWSQXEVSA-N 1 0 296.842 3.428 20 10 CGCDRO C[C@@H]([NH2+]CCN1CC[C@@H](C)C1)c1ccc(Cl)cc1O ZINC000841748551 635223880 /nfs/dbraw/zinc/22/38/80/635223880.db2.gz AOHGNAUVRYXCGG-VXGBXAGGSA-N 1 0 282.815 3.038 20 10 CGCDRO C[C@H]([NH2+]CCOC(F)(F)F)c1ccc(Cl)cc1O ZINC000841751262 635225160 /nfs/dbraw/zinc/22/51/60/635225160.db2.gz GYVMLMASYDTPSS-ZETCQYMHSA-N 1 0 283.677 3.233 20 10 CGCDRO CO[C@H](C)[C@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841753836 635227396 /nfs/dbraw/zinc/22/73/96/635227396.db2.gz WZOUTKXPLUZUIV-IVZWLZJFSA-N 1 0 257.761 3.120 20 10 CGCDRO Cc1nnsc1C[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841753210 635227541 /nfs/dbraw/zinc/22/75/41/635227541.db2.gz DWMZJDCSXWDVJI-SSDOTTSWSA-N 1 0 283.784 3.056 20 10 CGCDRO CCc1cc(C[NH2+][C@H](C)c2ccc(Cl)cc2O)on1 ZINC000841753672 635227627 /nfs/dbraw/zinc/22/76/27/635227627.db2.gz FRQOVMHIHRGMFC-SECBINFHSA-N 1 0 280.755 3.447 20 10 CGCDRO CCC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841765090 635234743 /nfs/dbraw/zinc/23/47/43/635234743.db2.gz UZBFHYFYIQBTHG-QMTHXVAHSA-N 1 0 271.788 3.247 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cccc(OC)c1O)[C@@H]1CC1(C)C ZINC000841890820 635247070 /nfs/dbraw/zinc/24/70/70/635247070.db2.gz KNXGIEBEJMMGHL-QWHCGFSZSA-N 1 0 263.381 3.315 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2COCc3ccccc32)cc1C ZINC000841889445 635247647 /nfs/dbraw/zinc/24/76/47/635247647.db2.gz BPXDDKODIJMLHW-QGZVFWFLSA-N 1 0 283.371 3.365 20 10 CGCDRO COc1ccc(N(C)CCCCCCC[NH3+])cc1F ZINC000842473076 635376248 /nfs/dbraw/zinc/37/62/48/635376248.db2.gz NVERGUPMKWTWBY-UHFFFAOYSA-N 1 0 268.376 3.180 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H]1CC2(CCC2)CO1)c1ccccc1O ZINC000878363046 635475124 /nfs/dbraw/zinc/47/51/24/635475124.db2.gz PAEXVBVPULQBHH-UKRRQHHQSA-N 1 0 275.392 3.392 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(CO)cc1)c1cc(Cl)ccc1O ZINC000842896168 635508207 /nfs/dbraw/zinc/50/82/07/635508207.db2.gz USVFWGJVMQMRSH-NSHDSACASA-N 1 0 291.778 3.389 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(CO)cc2)c(O)c1C ZINC000842895948 635508893 /nfs/dbraw/zinc/50/88/93/635508893.db2.gz QWAKIZDECICTTC-CQSZACIVSA-N 1 0 285.387 3.352 20 10 CGCDRO C[C@@H]([NH2+][C@H]1C[C@@H](OC(C)(C)C)C1)c1ccccc1O ZINC000842921717 635512305 /nfs/dbraw/zinc/51/23/05/635512305.db2.gz KADOKLRGILUONP-UPJWGTAASA-N 1 0 263.381 3.389 20 10 CGCDRO Cc1cccc(C[NH2+][C@H](CCO)c2ccccc2F)c1O ZINC000843429374 635672896 /nfs/dbraw/zinc/67/28/96/635672896.db2.gz BMZXIAASSKVPSH-MRXNPFEDSA-N 1 0 289.350 3.053 20 10 CGCDRO C[C@H]([NH2+]Cc1nnc(C2CC2)n1C1CC1)c1ccccc1O ZINC000879650544 635826773 /nfs/dbraw/zinc/82/67/73/635826773.db2.gz GSZGCYPRUIAJRF-NSHDSACASA-N 1 0 298.390 3.047 20 10 CGCDRO CCCCC[C@H](C)NC(=O)C[NH2+][C@@H](C)c1ccccc1O ZINC000879653495 635827969 /nfs/dbraw/zinc/82/79/69/635827969.db2.gz QMXPSJYQRCIQHO-KBPBESRZSA-N 1 0 292.423 3.128 20 10 CGCDRO Oc1ccccc1C[NH2+]Cc1cccc2c1CCC2 ZINC000845930674 636119928 /nfs/dbraw/zinc/11/99/28/636119928.db2.gz UXIHTIOBHMKNDY-UHFFFAOYSA-N 1 0 253.345 3.171 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CC(C)(C)OC[C@@H]2CC)c1 ZINC000846027510 636131819 /nfs/dbraw/zinc/13/18/19/636131819.db2.gz MYBMSUJSIIEEGC-AWEZNQCLSA-N 1 0 293.407 3.180 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)[C@@](C)(O)c2ccccc2)c1 ZINC000846040835 636136703 /nfs/dbraw/zinc/13/67/03/636136703.db2.gz WPUXQZGIRWWURY-KBXCAEBGSA-N 1 0 285.387 3.086 20 10 CGCDRO C[C@@H](COCC1CC1)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000846073724 636141512 /nfs/dbraw/zinc/14/15/12/636141512.db2.gz QGVWTYXZEOZNFB-RGDDUWESSA-N 1 0 288.435 3.171 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000846116702 636146574 /nfs/dbraw/zinc/14/65/74/636146574.db2.gz IMQOWXWOATUVJA-HNNXBMFYSA-N 1 0 280.362 3.292 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@]3(CC3(F)F)C2)cc1F ZINC000846116795 636146656 /nfs/dbraw/zinc/14/66/56/636146656.db2.gz JVXFAGVXCSPWCT-AWEZNQCLSA-N 1 0 284.325 3.123 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]Cc2cccc(F)c2)c1O ZINC000846138690 636148736 /nfs/dbraw/zinc/14/87/36/636148736.db2.gz MQFMLYDBTVDHSA-LLVKDONJSA-N 1 0 275.323 3.391 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)c2cccnc2)c1O ZINC000846137275 636148863 /nfs/dbraw/zinc/14/88/63/636148863.db2.gz MYKXDNWMJMCADB-RYUDHWBXSA-N 1 0 272.348 3.208 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]CCOCCC(C)C)c1O ZINC000846141670 636149113 /nfs/dbraw/zinc/14/91/13/636149113.db2.gz MHHWCFCNVMBAJU-ZDUSSCGKSA-N 1 0 281.396 3.114 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]CCSC(F)(F)F)c1O ZINC000846144739 636149450 /nfs/dbraw/zinc/14/94/50/636149450.db2.gz NARXHJKXDFGZIE-MRVPVSSYSA-N 1 0 295.326 3.304 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]CC2(C3CC3)CC2)c1O ZINC000846155674 636150310 /nfs/dbraw/zinc/15/03/10/636150310.db2.gz CBMUVMUNDCJZEY-LLVKDONJSA-N 1 0 261.365 3.242 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCOC3(CCC3)C2)c1O ZINC000846155597 636150336 /nfs/dbraw/zinc/15/03/36/636150336.db2.gz HWPRWNHALHNPMB-CHWSQXEVSA-N 1 0 291.391 3.153 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)c1cccc(OC)c1O)[C@H]1CCCO1 ZINC000846155626 636150365 /nfs/dbraw/zinc/15/03/65/636150365.db2.gz APFRVJITWKOAIB-FPMFFAJLSA-N 1 0 279.380 3.009 20 10 CGCDRO CCn1ccnc1[C@@H](C)[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846168637 636151932 /nfs/dbraw/zinc/15/19/32/636151932.db2.gz LFWAZQKYZUHWIP-VXGBXAGGSA-N 1 0 289.379 3.029 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@H]2C[C@H](OC)C23CCC3)c1O ZINC000846167684 636151987 /nfs/dbraw/zinc/15/19/87/636151987.db2.gz AZXLIVPYJBYTIV-CQDKDKBSSA-N 1 0 291.391 3.009 20 10 CGCDRO CCCN(CC)C[C@@H](C)[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846170474 636153208 /nfs/dbraw/zinc/15/32/08/636153208.db2.gz LJDYDIXWUFNVNO-ZIAGYGMSSA-N 1 0 294.439 3.172 20 10 CGCDRO C[C@H]([NH2+][C@H](C1CC1)C1CCOCC1)c1ccccc1O ZINC000846188491 636156197 /nfs/dbraw/zinc/15/61/97/636156197.db2.gz POUTXDQLGKTILX-YVEFUNNKSA-N 1 0 275.392 3.248 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)c1cc(Cl)ccc1O ZINC000846191551 636156953 /nfs/dbraw/zinc/15/69/53/636156953.db2.gz WQUVMEUOSBTTRM-ZRQNBYAXSA-N 1 0 281.783 3.406 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C2(C)CCOCC2)cc1F ZINC000131129171 636561538 /nfs/dbraw/zinc/56/15/38/636561538.db2.gz VYNGYPUQQPCRIO-UHFFFAOYSA-N 1 0 294.414 3.331 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CC[C@H](C)SC1 ZINC000848530465 636591105 /nfs/dbraw/zinc/59/11/05/636591105.db2.gz HHTUZIBWQJUGMN-DZGCQCFKSA-N 1 0 278.465 3.435 20 10 CGCDRO Cc1cnc(CC[NH2+][C@H](C)c2cc(F)ccc2O)c(C)c1 ZINC000848559520 636605479 /nfs/dbraw/zinc/60/54/79/636605479.db2.gz DRIXBZFELXWXEX-CYBMUJFWSA-N 1 0 288.366 3.436 20 10 CGCDRO COCC1(C[NH2+][C@H](C)c2ccc(C)c(C)c2O)CC1 ZINC000848561231 636606792 /nfs/dbraw/zinc/60/67/92/636606792.db2.gz RUGIPUATEBFWQD-CYBMUJFWSA-N 1 0 263.381 3.086 20 10 CGCDRO COc1cccc(C[NH2+]CC[C@H]2CCCC2(F)F)c1O ZINC000883266271 636637202 /nfs/dbraw/zinc/63/72/02/636637202.db2.gz WFUDXJWUICDFLZ-GFCCVEGCSA-N 1 0 285.334 3.316 20 10 CGCDRO CO[C@H]1C[C@H](C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)C1 ZINC000883272386 636643216 /nfs/dbraw/zinc/64/32/16/636643216.db2.gz LBWUNOIOJKGIKH-UZWSLXQKSA-N 1 0 279.355 3.094 20 10 CGCDRO CC[NH+](CC)C[C@@H]1CCN(Cc2c(O)cccc2Cl)C1 ZINC000131391089 636648348 /nfs/dbraw/zinc/64/83/48/636648348.db2.gz RYYNEBHLVVBLAO-ZDUSSCGKSA-N 1 0 296.842 3.209 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCn3cccc3[C@H]2C)c1O ZINC000848877491 636669576 /nfs/dbraw/zinc/66/95/76/636669576.db2.gz SFFLTPNAFLZCKG-CYBMUJFWSA-N 1 0 270.376 3.333 20 10 CGCDRO CCc1cccc(CN2CC[NH+](C3CCCC3)CC2)c1O ZINC000848881830 636672131 /nfs/dbraw/zinc/67/21/31/636672131.db2.gz VDOMUMZCMXVLRH-UHFFFAOYSA-N 1 0 288.435 3.015 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@](C)(O)c2ccsc2)c1O ZINC000848898140 636680676 /nfs/dbraw/zinc/68/06/76/636680676.db2.gz YSACGAPEUQLAIV-INIZCTEOSA-N 1 0 291.416 3.013 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H](C)[C@H](O)Cc2ccccc2)c1O ZINC000848898841 636680851 /nfs/dbraw/zinc/68/08/51/636680851.db2.gz HTYDVHVXOBIYON-KBXCAEBGSA-N 1 0 299.414 3.036 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@H]2CCCO[C@H]2C(C)C)c1O ZINC000848898515 636680989 /nfs/dbraw/zinc/68/09/89/636680989.db2.gz VWAFAZGFTGRTDL-AEFFLSMTSA-N 1 0 291.435 3.495 20 10 CGCDRO CCc1cccc(C[NH2+][C@H]2CC(C)(C)OC2(C)C)c1O ZINC000848901659 636682837 /nfs/dbraw/zinc/68/28/37/636682837.db2.gz ZAEXJWWAWGIGAB-AWEZNQCLSA-N 1 0 277.408 3.390 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@@H]2CCC(F)(F)C2)c1O ZINC000848908065 636685458 /nfs/dbraw/zinc/68/54/58/636685458.db2.gz MLNNUZFUVIEOSP-LLVKDONJSA-N 1 0 269.335 3.480 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@H](O)c2cc(C)cc(C)c2)c1O ZINC000848909567 636686511 /nfs/dbraw/zinc/68/65/11/636686511.db2.gz WTNBBWFMWLOELQ-SFHVURJKSA-N 1 0 299.414 3.395 20 10 CGCDRO CCc1cccc(C[N@H+](C)CCCSC)c1O ZINC000848909108 636686679 /nfs/dbraw/zinc/68/66/79/636686679.db2.gz LDXWIUBCCXFUHG-UHFFFAOYSA-N 1 0 253.411 3.140 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@H](CC)[C@@H]2CCCOC2)c1 ZINC000883353252 636694251 /nfs/dbraw/zinc/69/42/51/636694251.db2.gz QWBBZLKDWMCSTG-CZUORRHYSA-N 1 0 293.407 3.086 20 10 CGCDRO CCC[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)C(C)C ZINC000848924050 636695794 /nfs/dbraw/zinc/69/57/94/636695794.db2.gz VTHYRKNVTJRWFH-UHFFFAOYSA-N 1 0 294.414 3.283 20 10 CGCDRO CCN1CC[C@H]1C[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000883355561 636697450 /nfs/dbraw/zinc/69/74/50/636697450.db2.gz UHGZZWUZMPNAHX-HIFRSBDPSA-N 1 0 284.403 3.290 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCC[C@H](OC3CCC3)C2)c1O ZINC000848925119 636698122 /nfs/dbraw/zinc/69/81/22/636698122.db2.gz OCWPJMIDCJQMBL-KRWDZBQOSA-N 1 0 289.419 3.488 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCC[C@]23CCCO3)c1O ZINC000883368767 636710108 /nfs/dbraw/zinc/71/01/08/636710108.db2.gz ANZOLKGFNYFYJF-VMGRFDJRSA-N 1 0 291.391 3.153 20 10 CGCDRO CCCC[N@H+](CC)Cc1cccc(OCC)c1O ZINC000131665321 636715577 /nfs/dbraw/zinc/71/55/77/636715577.db2.gz RHMVDVBGKDAURD-UHFFFAOYSA-N 1 0 251.370 3.413 20 10 CGCDRO COC[C@@H]([NH2+][C@H](C)c1cc(C)ccc1O)C(C)C ZINC000086683486 636784049 /nfs/dbraw/zinc/78/40/49/636784049.db2.gz XIYNUFFIXQKZHW-TZMCWYRMSA-N 1 0 251.370 3.022 20 10 CGCDRO CCOc1ccc(C[NH2+][C@@H]2CCc3cc(N)ccc32)c(O)c1 ZINC000849352255 636818186 /nfs/dbraw/zinc/81/81/86/636818186.db2.gz JPKICRLHNZRYSQ-QGZVFWFLSA-N 1 0 298.386 3.150 20 10 CGCDRO Oc1ccc(Cl)cc1CN1CC[NH+](C2CCCC2)CC1 ZINC000133876726 636984355 /nfs/dbraw/zinc/98/43/55/636984355.db2.gz KDRKSWXEYFYFKG-UHFFFAOYSA-N 1 0 294.826 3.106 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CCC[C@@H]3C)C2)cc1 ZINC000850346507 637022923 /nfs/dbraw/zinc/02/29/23/637022923.db2.gz GPGOMAIHDBMBRC-GRDNDAEWSA-N 1 0 274.408 3.052 20 10 CGCDRO COc1cccc(OC)c1C[NH2+]Cc1cc(C)ccc1O ZINC000850355054 637025423 /nfs/dbraw/zinc/02/54/23/637025423.db2.gz CGCPXTIRBCJLSL-UHFFFAOYSA-N 1 0 287.359 3.008 20 10 CGCDRO CCOCc1cc(C[NH2+]CCC(C)(C)F)ccc1OC ZINC000850375367 637037153 /nfs/dbraw/zinc/03/71/53/637037153.db2.gz YNLOWQFLYVSWKR-UHFFFAOYSA-N 1 0 283.387 3.460 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C[C@@]2(C)CC2(F)F)cc1F ZINC000850379132 637038086 /nfs/dbraw/zinc/03/80/86/637038086.db2.gz GIIKESXCUQLKLV-CYBMUJFWSA-N 1 0 272.314 3.027 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCC[C@@H](C)O2)cc1C ZINC000850379115 637039433 /nfs/dbraw/zinc/03/94/33/637039433.db2.gz FHAIUEBCSLDXSU-HIFRSBDPSA-N 1 0 263.381 3.056 20 10 CGCDRO Oc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc3c(c1)CCO3)CC2 ZINC000850385550 637041657 /nfs/dbraw/zinc/04/16/57/637041657.db2.gz ASFPJRUFBHKDKX-KRWDZBQOSA-N 1 0 281.355 3.104 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)cc1 ZINC000850392976 637045475 /nfs/dbraw/zinc/04/54/75/637045475.db2.gz PAFSDCMMQWSNNV-NPWVPDHWSA-N 1 0 256.393 3.154 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCCSCC1 ZINC000850436662 637062113 /nfs/dbraw/zinc/06/21/13/637062113.db2.gz VTGBSWCKKLZZKS-HNNXBMFYSA-N 1 0 278.465 3.436 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C1CC(CF)(CF)C1 ZINC000850437151 637063011 /nfs/dbraw/zinc/06/30/11/637063011.db2.gz ZKWQBXMYNQPHNN-UHFFFAOYSA-N 1 0 282.378 3.238 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCCn2nccc21)c1ccc(N(C)C)cc1 ZINC000850463537 637076660 /nfs/dbraw/zinc/07/66/60/637076660.db2.gz VNZXHGVIYILKMZ-BBRMVZONSA-N 1 0 284.407 3.135 20 10 CGCDRO CC[C@@H]([NH2+]CCC1CC(OC)C1)c1ccccc1O ZINC000850483589 637086646 /nfs/dbraw/zinc/08/66/46/637086646.db2.gz ZTALLSBFRAUGBV-SSDMNJCBSA-N 1 0 263.381 3.248 20 10 CGCDRO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850487076 637088240 /nfs/dbraw/zinc/08/82/40/637088240.db2.gz FGIVKDXVKVVZQV-RKVPGOIHSA-N 1 0 288.435 3.442 20 10 CGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@H]3CCC34CCC4)C2)cc1 ZINC000850489173 637088921 /nfs/dbraw/zinc/08/89/21/637088921.db2.gz WFUIEVKSDWSWPT-PBHICJAKSA-N 1 0 286.419 3.196 20 10 CGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)C3CCCC3)C2)cc1 ZINC000850488629 637089005 /nfs/dbraw/zinc/08/90/05/637089005.db2.gz OCTOKRHPSRBXKH-GDBMZVCRSA-N 1 0 288.435 3.442 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]([S@@](C)=O)C2)c(O)c1 ZINC000850500148 637092333 /nfs/dbraw/zinc/09/23/33/637092333.db2.gz BACHUOUYKJVVPC-PCRRDVQSSA-N 1 0 295.448 3.041 20 10 CGCDRO C[C@H]([NH2+]C/C=C/CO)c1ccc(N2CCCCCC2)cc1 ZINC000850509792 637096051 /nfs/dbraw/zinc/09/60/51/637096051.db2.gz SQQDAOMKMANPNE-RRGWEWPQSA-N 1 0 288.435 3.266 20 10 CGCDRO C[C@H]([NH2+]CCO[C@@H]1CC1(F)F)c1ccc(Cl)cc1O ZINC000850521230 637100289 /nfs/dbraw/zinc/10/02/89/637100289.db2.gz ROTDINCJCIMTQW-QPUJVOFHSA-N 1 0 291.725 3.120 20 10 CGCDRO C[C@@H]([NH2+]CCO[C@@H]1CC1(F)F)c1cc(Cl)ccc1O ZINC000850520418 637100404 /nfs/dbraw/zinc/10/04/04/637100404.db2.gz BEAFWBIOAPBZHY-PRHODGIISA-N 1 0 291.725 3.120 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCO[C@@H]2CC2(F)F)c(O)c1C ZINC000850521426 637101370 /nfs/dbraw/zinc/10/13/70/637101370.db2.gz VHNPNADCKHDMDF-DGCLKSJQSA-N 1 0 285.334 3.084 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)CN2CCC(C)CC2)c1 ZINC000850543499 637115467 /nfs/dbraw/zinc/11/54/67/637115467.db2.gz KYSPZSMLJPPPGR-CVEARBPZSA-N 1 0 290.451 3.472 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1C[C@@H](O)C12CCC2)c1ccc(C)cc1O ZINC000850545839 637116521 /nfs/dbraw/zinc/11/65/21/637116521.db2.gz IJYXQFDBUOYYMM-NUEKZKHPSA-N 1 0 275.392 3.045 20 10 CGCDRO CC[C@@H]([NH2+]CCc1cncc(C)n1)c1ccc(N(C)C)cc1 ZINC000850548789 637117757 /nfs/dbraw/zinc/11/77/57/637117757.db2.gz AESHBWORLUYNQG-GOSISDBHSA-N 1 0 298.434 3.134 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1C(C)(C)C1(F)F)c1ccccc1O ZINC000850553528 637119355 /nfs/dbraw/zinc/11/93/55/637119355.db2.gz YFMXHMMZMQFUJZ-SKDRFNHKSA-N 1 0 255.308 3.334 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CC2SCCS2)c(O)c1 ZINC000850559320 637122942 /nfs/dbraw/zinc/12/29/42/637122942.db2.gz ABCNOKYOLCFWFF-LLVKDONJSA-N 1 0 283.462 3.466 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](OC)C2CCCC2)c1 ZINC000850561947 637125618 /nfs/dbraw/zinc/12/56/18/637125618.db2.gz LSBXJAPKKOIVKA-YVEFUNNKSA-N 1 0 293.407 3.257 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](OC)C2CCCC2)c1 ZINC000850561945 637125855 /nfs/dbraw/zinc/12/58/55/637125855.db2.gz LSBXJAPKKOIVKA-SJKOYZFVSA-N 1 0 293.407 3.257 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)c2ccc3c(c2)OCO3)c1 ZINC000109415257 637134468 /nfs/dbraw/zinc/13/44/68/637134468.db2.gz SKYUWFDCJXWFPT-LBPRGKRZSA-N 1 0 285.343 3.280 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@H](C)CO)cc1 ZINC000852427052 637651595 /nfs/dbraw/zinc/65/15/95/637651595.db2.gz ZOYSTPWAXTWJQX-CRAIPNDOSA-N 1 0 290.451 3.126 20 10 CGCDRO C[C@@H]1CC[C@@H]([NH2+]Cc2cc(F)ccc2O)[C@H](C)C1 ZINC000300416070 637838596 /nfs/dbraw/zinc/83/85/96/637838596.db2.gz HCIGBXYYUCDEAD-JTNHKYCSSA-N 1 0 251.345 3.446 20 10 CGCDRO C[C@]12COC[C@@H]1C[N@H+](Cc1c(O)ccc3ccccc31)C2 ZINC000853565976 637867528 /nfs/dbraw/zinc/86/75/28/637867528.db2.gz LGJMPWCOBGGRNS-KSSFIOAISA-N 1 0 283.371 3.014 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H](CCF)C2)c1O ZINC000853564895 637867552 /nfs/dbraw/zinc/86/75/52/637867552.db2.gz WBBNZKZTHLTLOQ-ZDUSSCGKSA-N 1 0 281.371 3.281 20 10 CGCDRO Oc1ccc2ccccc2c1C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000853584768 637870636 /nfs/dbraw/zinc/87/06/36/637870636.db2.gz BMBKLPTXOVADMU-GJZGRUSLSA-N 1 0 283.371 3.014 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2C[C@H](C)O[C@@](C)(C(F)F)C2)cc1C ZINC000853629834 637876596 /nfs/dbraw/zinc/87/65/96/637876596.db2.gz LSOCYTTUQIJMBQ-BLLLJJGKSA-N 1 0 299.361 3.254 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2cccc(N)c2)c(O)c1 ZINC000854217981 638025041 /nfs/dbraw/zinc/02/50/41/638025041.db2.gz QQOFLIPWWHYWOX-ZDUSSCGKSA-N 1 0 270.376 3.442 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C1CC2(C1)CO[C@@H](C)C2 ZINC000925080460 638447915 /nfs/dbraw/zinc/44/79/15/638447915.db2.gz MHMYLYHSNBRIKC-NXVRBGIVSA-N 1 0 288.435 3.108 20 10 CGCDRO Oc1ccc(F)cc1C[NH+]1CC(Cc2ccsc2)C1 ZINC000857067686 638449907 /nfs/dbraw/zinc/44/99/07/638449907.db2.gz DOQUGYGTHCXNFZ-UHFFFAOYSA-N 1 0 277.364 3.267 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+]CC[C@H]2CCCOC2)cc1 ZINC000858206247 638656886 /nfs/dbraw/zinc/65/68/86/638656886.db2.gz IVFXRXBRQZIMSF-NJELEJDNSA-N 1 0 288.435 3.172 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2cnc(C(C)(C)C)nc2)c1 ZINC000858239068 638661489 /nfs/dbraw/zinc/66/14/89/638661489.db2.gz GZXPROMQTAMYRV-UHFFFAOYSA-N 1 0 285.391 3.078 20 10 CGCDRO CCCN(CCC)c1ccc(C[NH2+]CC2COC2)cc1 ZINC000858300918 638675140 /nfs/dbraw/zinc/67/51/40/638675140.db2.gz OCAGAZVUKORQOD-UHFFFAOYSA-N 1 0 276.424 3.049 20 10 CGCDRO CO[C@H]1C[C@@H](C[NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC000858329560 638682903 /nfs/dbraw/zinc/68/29/03/638682903.db2.gz IRRKQMLQCWAHEU-MAEOIBBWSA-N 1 0 288.435 3.192 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)c1O ZINC000858443896 638721083 /nfs/dbraw/zinc/72/10/83/638721083.db2.gz PLZFNLJFARRWAL-DGAVXFQQSA-N 1 0 275.392 3.488 20 10 CGCDRO C[C@H]([NH2+]CC1COC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000858550780 638760268 /nfs/dbraw/zinc/76/02/68/638760268.db2.gz VDSKJEOKBAHEID-ZDUSSCGKSA-N 1 0 292.398 3.113 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@]2(C)CCCCO2)c(O)c1 ZINC000927017428 638832392 /nfs/dbraw/zinc/83/23/92/638832392.db2.gz IWPJEPFOVWQKNC-BBRMVZONSA-N 1 0 263.381 3.310 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cc(C3CC3)nn2C)c(O)c1C ZINC000927101721 638842334 /nfs/dbraw/zinc/84/23/34/638842334.db2.gz MFNBXHMCLNFAJI-CYBMUJFWSA-N 1 0 299.418 3.471 20 10 CGCDRO C[N@H+](CCc1cccc(F)c1)Cc1ccccc1O ZINC000929977479 638965476 /nfs/dbraw/zinc/96/54/76/638965476.db2.gz VEFTTXSFADPNTH-UHFFFAOYSA-N 1 0 259.324 3.206 20 10 CGCDRO C[C@@H](C[N@H+](C)Cc1ccccc1O)C(=O)c1ccc(O)cc1 ZINC000929974768 638965702 /nfs/dbraw/zinc/96/57/02/638965702.db2.gz APIMCTOROJTQKI-ZDUSSCGKSA-N 1 0 299.370 3.049 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)c1 ZINC000930216187 638983461 /nfs/dbraw/zinc/98/34/61/638983461.db2.gz AJUHDGXHSBFTAM-ZNIXKSQXSA-N 1 0 297.345 3.343 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(C)nc2C)c1 ZINC000187427019 639345049 /nfs/dbraw/zinc/34/50/49/639345049.db2.gz VGFQEJXZPCZKBF-CYBMUJFWSA-N 1 0 286.375 3.263 20 10 CGCDRO COc1ccc(C[NH2+]CCc2ccc(O)cc2)cc1C ZINC000040736341 639896670 /nfs/dbraw/zinc/89/66/70/639896670.db2.gz CFMRLAXICAJHGN-UHFFFAOYSA-N 1 0 271.360 3.042 20 10 CGCDRO Cc1cccc(C[NH2+]C[C@H]2CCCCS2)c1O ZINC000158813412 640018428 /nfs/dbraw/zinc/01/84/28/640018428.db2.gz PGIOUQJQXPNADL-CYBMUJFWSA-N 1 0 251.395 3.076 20 10 CGCDRO CC[C@H](C)N(C)CC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000160080357 640087888 /nfs/dbraw/zinc/08/78/88/640087888.db2.gz MTDMBUIJDIUAOR-GJZGRUSLSA-N 1 0 277.456 3.134 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]2CC(C)C)cc1OC ZINC000160058303 640088117 /nfs/dbraw/zinc/08/81/17/640088117.db2.gz BZLCWYDBCNJMTO-CQSZACIVSA-N 1 0 293.407 3.420 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]CCc1ccc(F)c(F)c1 ZINC000191497206 640315226 /nfs/dbraw/zinc/31/52/26/640315226.db2.gz YUTBZXMOPGZASY-UHFFFAOYSA-N 1 0 281.277 3.142 20 10 CGCDRO Cc1ncc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)s1 ZINC000193840341 640498153 /nfs/dbraw/zinc/49/81/53/640498153.db2.gz ZEYFTJVYJXQTDX-UHFFFAOYSA-N 1 0 275.421 3.150 20 10 CGCDRO CC[C@H]([NH2+]CCN1CCC[C@@H](C)C1)c1ccccc1O ZINC000246005804 640652174 /nfs/dbraw/zinc/65/21/74/640652174.db2.gz HFFZXJBSUQCPEN-ZBFHGGJFSA-N 1 0 276.424 3.165 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@H+]2CCS[C@H](C)[C@H]2C)c1 ZINC000246084498 640655774 /nfs/dbraw/zinc/65/57/74/640655774.db2.gz CDRRZMIQHFHZDY-CHWSQXEVSA-N 1 0 265.422 3.335 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCc3ccc(F)cc3C2)c1 ZINC000093383801 640769097 /nfs/dbraw/zinc/76/90/97/640769097.db2.gz XPBBNJINMMDKBZ-UHFFFAOYSA-N 1 0 271.335 3.398 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000093443788 640770788 /nfs/dbraw/zinc/77/07/88/640770788.db2.gz VSZKESLZRWTISU-UHFFFAOYSA-N 1 0 298.342 3.167 20 10 CGCDRO CC(C)[C@H](C[NH2+][C@@H](C)c1cc(F)ccc1O)N1CCCC1 ZINC000094616992 640798345 /nfs/dbraw/zinc/79/83/45/640798345.db2.gz IBENWGNNOZDNBN-BBRMVZONSA-N 1 0 294.414 3.302 20 10 CGCDRO C[C@@H](Cc1ccco1)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000094617299 640798727 /nfs/dbraw/zinc/79/87/27/640798727.db2.gz ORCHQJPCVMAFKA-QWRGUYRKSA-N 1 0 263.312 3.406 20 10 CGCDRO C[C@@H](C[C@@H](O)c1ccco1)[NH2+]Cc1cc(Cl)ccc1O ZINC000305712693 640900302 /nfs/dbraw/zinc/90/03/02/640900302.db2.gz GFBSHISFCDLRQG-IINYFYTJSA-N 1 0 295.766 3.240 20 10 CGCDRO O=C1c2ccccc2-c2cccc(NC3=CC[NH2+]CC3)c21 ZINC001159783806 806173031 /nfs/dbraw/zinc/17/30/31/806173031.db2.gz LQBOATBZXDATCT-UHFFFAOYSA-N 1 0 276.339 3.187 20 10 CGCDRO [NH3+]CCc1ccccc1Nc1ccc2c(c1)CCCN2 ZINC001159997765 806211435 /nfs/dbraw/zinc/21/14/35/806211435.db2.gz OFSHGTYNTRKFIE-UHFFFAOYSA-N 1 0 267.376 3.290 20 10 CGCDRO CC[N@H+](Cc1ccccc1O)C1Cc2ccccc2C1 ZINC001255027407 806530536 /nfs/dbraw/zinc/53/05/36/806530536.db2.gz SVEVGYAKASZKNW-UHFFFAOYSA-N 1 0 267.372 3.382 20 10 CGCDRO C[C@H]1CCC[C@H]([N@H+](C)Cc2cc3c(cc2O)OCO3)C1 ZINC000025484197 798839237 /nfs/dbraw/zinc/83/92/37/798839237.db2.gz NMSKSZNXZGPKBV-AAEUAGOBSA-N 1 0 277.364 3.131 20 10 CGCDRO CC(=O)c1cc(F)cc(C[N@H+]2CCCC[C@H]2C)c1O ZINC000037322556 798866640 /nfs/dbraw/zinc/86/66/40/798866640.db2.gz RIWLYPNQWWCUBX-SNVBAGLBSA-N 1 0 265.328 3.108 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C[C@H]2Cc3ccccc32)cc1 ZINC000037565173 798869021 /nfs/dbraw/zinc/86/90/21/798869021.db2.gz XNLVIHMPPGWTRR-MRXNPFEDSA-N 1 0 266.388 3.182 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2Cc3ccccc32)c1 ZINC000037565481 798869261 /nfs/dbraw/zinc/86/92/61/798869261.db2.gz AKARVYJBKVQWGI-TZMCWYRMSA-N 1 0 283.371 3.391 20 10 CGCDRO CCOCC1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000093393695 798963513 /nfs/dbraw/zinc/96/35/13/798963513.db2.gz OOYOWDFGMHNJBT-UHFFFAOYSA-N 1 0 276.424 3.001 20 10 CGCDRO CNc1ccccc1N[C@@H]1C[NH2+]Cc2ccsc21 ZINC001163228513 806729752 /nfs/dbraw/zinc/72/97/52/806729752.db2.gz CGCCJZDADVMVAM-CYBMUJFWSA-N 1 0 259.378 3.046 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@]2(O)CCC[C@H]2C)cc1 ZINC000328229403 799250343 /nfs/dbraw/zinc/25/03/43/799250343.db2.gz CLQMBLUCCGIAQW-CRAIPNDOSA-N 1 0 290.451 3.174 20 10 CGCDRO COCC1(C[NH2+][C@@H](C)c2ccc(C)cc2O)CCC1 ZINC000382052411 799392106 /nfs/dbraw/zinc/39/21/06/799392106.db2.gz WWHLPQVXRUCSCD-ZDUSSCGKSA-N 1 0 263.381 3.168 20 10 CGCDRO C[C@@H]([NH2+][C@H](CO)C1CCCCC1)c1ccc(N(C)C)cc1 ZINC000386338872 799435243 /nfs/dbraw/zinc/43/52/43/799435243.db2.gz LDLKDWMTEFYZBA-RDTXWAMCSA-N 1 0 290.451 3.344 20 10 CGCDRO CO[C@@H]([C@H](C)[NH2+][C@H](C)c1cc(C)ccc1O)C1CC1 ZINC000388269920 799452111 /nfs/dbraw/zinc/45/21/11/799452111.db2.gz FLSOLJOLTKVTIH-WQGACYEGSA-N 1 0 263.381 3.165 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCCC2(F)F)c1 ZINC000390892311 799475583 /nfs/dbraw/zinc/47/55/83/799475583.db2.gz YZWIDOFXBIHAHS-QWRGUYRKSA-N 1 0 285.334 3.487 20 10 CGCDRO CCC1([NH2+]Cc2ccc(N3CCOCC3)cc2)CCCC1 ZINC000394671423 799498997 /nfs/dbraw/zinc/49/89/97/799498997.db2.gz XMVCMFBTGNLBHL-UHFFFAOYSA-N 1 0 288.435 3.336 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CS[C@@H](C)C2)c1 ZINC000397970509 799524280 /nfs/dbraw/zinc/52/42/80/799524280.db2.gz MNROGYRCYXVFEO-SDDRHHMPSA-N 1 0 251.395 3.245 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@@H](C)O[C@H]2C)c(O)c1 ZINC000686508406 799735229 /nfs/dbraw/zinc/73/52/29/799735229.db2.gz AGKJANBOXLWVNU-RFGFWPKPSA-N 1 0 263.381 3.165 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H]1CCC[C@@H](C)O1)c1ccccc1O ZINC000688872256 799757010 /nfs/dbraw/zinc/75/70/10/799757010.db2.gz AVVOFHDMRNUKGM-IPYPFGDCSA-N 1 0 263.381 3.391 20 10 CGCDRO C[C@H]([NH2+]C[C@]1(C)CC1(F)F)c1cc(F)ccc1O ZINC000689225453 799763306 /nfs/dbraw/zinc/76/33/06/799763306.db2.gz QLYKVWMIKRAYNO-UFBFGSQYSA-N 1 0 259.271 3.227 20 10 CGCDRO CCOC[C@@H]([NH2+]Cc1cccc(CC)c1O)C(C)C ZINC000691438458 799783319 /nfs/dbraw/zinc/78/33/19/799783319.db2.gz OVDFXAYOTUZSHL-OAHLLOKOSA-N 1 0 265.397 3.105 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H](C)c2cccnc2)c1O ZINC000691505361 799785703 /nfs/dbraw/zinc/78/57/03/799785703.db2.gz LVGABWSZZOOKBT-LBPRGKRZSA-N 1 0 256.349 3.200 20 10 CGCDRO COc1cccc(C[NH2+]C(C)(C2CC2)C2CC2)c1O ZINC000691788123 799787200 /nfs/dbraw/zinc/78/72/00/799787200.db2.gz SZYZRZWISJRZSU-UHFFFAOYSA-N 1 0 261.365 3.069 20 10 CGCDRO CC([NH2+]Cc1ccc2c(c1)CCO2)(C1CC1)C1CC1 ZINC000691874258 799789861 /nfs/dbraw/zinc/78/98/61/799789861.db2.gz ZHKSAPZZJQSOAF-UHFFFAOYSA-N 1 0 257.377 3.290 20 10 CGCDRO C[C@H](C[NH2+]Cc1c(O)cccc1Cl)c1ccccn1 ZINC000692655463 799795606 /nfs/dbraw/zinc/79/56/06/799795606.db2.gz DMVBGIJPSZJFRU-LLVKDONJSA-N 1 0 276.767 3.334 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H](C)Cc2ccccn2)c1O ZINC000694064706 799820192 /nfs/dbraw/zinc/82/01/92/799820192.db2.gz UBOFSTWKPHSNHV-ZDUSSCGKSA-N 1 0 270.376 3.070 20 10 CGCDRO C[C@@H](Cc1ccccn1)[NH2+]Cc1cc(Cl)ccc1O ZINC000694063435 799820309 /nfs/dbraw/zinc/82/03/09/799820309.db2.gz HDKJCMIFDGQRFE-NSHDSACASA-N 1 0 276.767 3.161 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]Cc1ccc(Cl)o1)CC2 ZINC000698069602 799852443 /nfs/dbraw/zinc/85/24/43/799852443.db2.gz WOVRBRIEHQQKCM-NSHDSACASA-N 1 0 263.724 3.416 20 10 CGCDRO CCC[C@H](C)[NH2+]Cc1ccc(Br)cc1O ZINC000701014374 799882528 /nfs/dbraw/zinc/88/25/28/799882528.db2.gz NCBLIGQPIMSNKN-VIFPVBQESA-N 1 0 272.186 3.433 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(Br)cc1O)C1CC1 ZINC000701014203 799882604 /nfs/dbraw/zinc/88/26/04/799882604.db2.gz MDGBMBPEZOASTJ-QMMMGPOBSA-N 1 0 270.170 3.043 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC[C@@H]2CC2(F)F)c1 ZINC000701944755 799898941 /nfs/dbraw/zinc/89/89/41/799898941.db2.gz BUBVVPHEDSDUIZ-GHMZBOCLSA-N 1 0 255.308 3.397 20 10 CGCDRO CS[C@H]1CC[C@H]1[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000702001534 799901050 /nfs/dbraw/zinc/90/10/50/799901050.db2.gz GLVCTIJMJZPJES-ZBFHGGJFSA-N 1 0 276.449 3.053 20 10 CGCDRO CCC[C@H](C[NH2+]Cc1cc(Cl)ccc1O)OCC ZINC000705385063 799948706 /nfs/dbraw/zinc/94/87/06/799948706.db2.gz RUTMYKWKHDFPCQ-CYBMUJFWSA-N 1 0 271.788 3.340 20 10 CGCDRO CC1(C)CC[C@H]1[NH2+]Cc1c(O)cccc1Br ZINC000706853872 799968075 /nfs/dbraw/zinc/96/80/75/799968075.db2.gz GUJWFIFTKDZEBG-GFCCVEGCSA-N 1 0 284.197 3.433 20 10 CGCDRO CC1(C)CC[C@@H]1[NH2+]Cc1c(O)cccc1Br ZINC000706853873 799968097 /nfs/dbraw/zinc/96/80/97/799968097.db2.gz GUJWFIFTKDZEBG-LBPRGKRZSA-N 1 0 284.197 3.433 20 10 CGCDRO CC1([NH2+]Cc2c(O)cccc2Br)CC=CC1 ZINC000706857816 799969180 /nfs/dbraw/zinc/96/91/80/799969180.db2.gz HIPQLGOKCRCAGK-UHFFFAOYSA-N 1 0 282.181 3.353 20 10 CGCDRO Cc1cccc(C[NH2+]C[C@H]2CC(C)(C)OC2(C)C)c1O ZINC000709665386 800013571 /nfs/dbraw/zinc/01/35/71/800013571.db2.gz QHPSEJHXUXWVOX-CQSZACIVSA-N 1 0 277.408 3.384 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1CCC2(CCC2)O1)c1cc(F)ccc1O ZINC000711472049 800062056 /nfs/dbraw/zinc/06/20/56/800062056.db2.gz LXIZHCPLIYAHAZ-YPMHNXCESA-N 1 0 279.355 3.284 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2C[C@H](OC)C23CCC3)cc1C ZINC000713482006 800111195 /nfs/dbraw/zinc/11/11/95/800111195.db2.gz ZVROUAITFFGFDX-CVEARBPZSA-N 1 0 275.392 3.051 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]CC[C@@H]1CCCS1)CC2 ZINC000715690803 800143846 /nfs/dbraw/zinc/14/38/46/800143846.db2.gz VFDWQKJJUFWVBW-STQMWFEESA-N 1 0 263.406 3.255 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2ccns2)c1 ZINC000715933881 800154829 /nfs/dbraw/zinc/15/48/29/800154829.db2.gz VLCWAZDZBNLKNT-UWVGGRQHSA-N 1 0 278.377 3.269 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H](C)CC1(C)OCCO1)c1ccccc1O ZINC000715995766 800158449 /nfs/dbraw/zinc/15/84/49/800158449.db2.gz DHRIQNGZRVOVPQ-DZGCQCFKSA-N 1 0 293.407 3.222 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1CCN1Cc1ccccc1)c1ccccc1O ZINC000716230465 800166064 /nfs/dbraw/zinc/16/60/64/800166064.db2.gz RAHWDHWQXSTUQS-WBVHZDCISA-N 1 0 296.414 3.317 20 10 CGCDRO CCc1cccc(C[NH2+]C2(C)CC(F)(F)C2)c1O ZINC000720949935 800273048 /nfs/dbraw/zinc/27/30/48/800273048.db2.gz OQOLMUCQANDTSW-UHFFFAOYSA-N 1 0 255.308 3.232 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]CC2(C)CC(F)(F)C2)c1 ZINC000720949328 800273691 /nfs/dbraw/zinc/27/36/91/800273691.db2.gz MVISIXROSQYIBH-UHFFFAOYSA-N 1 0 255.308 3.226 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]C[C@H]1CC[C@H](C2CC2)O1 ZINC000722319456 800313383 /nfs/dbraw/zinc/31/33/83/800313383.db2.gz JGHQKGKQWINXQN-UKRRQHHQSA-N 1 0 281.783 3.093 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1CC[C@@H](C2CC2)O1)c1ccccc1O ZINC000722319811 800313871 /nfs/dbraw/zinc/31/38/71/800313871.db2.gz GGRPUYJONVOEGV-RBOXIYTFSA-N 1 0 261.365 3.000 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1CC[C@@H](C2CC2)O1)c1cc(F)ccc1O ZINC000722338237 800315547 /nfs/dbraw/zinc/31/55/47/800315547.db2.gz UETRVEZURAHRSS-NKFCBESUSA-N 1 0 279.355 3.140 20 10 CGCDRO COc1cc(C)cc(C[N@H+](C)C2CC(C)(C)C2)c1O ZINC000840165191 800495646 /nfs/dbraw/zinc/49/56/46/800495646.db2.gz YVNYSAMJHPFDJX-UHFFFAOYSA-N 1 0 263.381 3.330 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C(C)(C)C1CCOCC1 ZINC000840940500 800501499 /nfs/dbraw/zinc/50/14/99/800501499.db2.gz CPJHCHBLDIONBO-UHFFFAOYSA-N 1 0 290.451 3.356 20 10 CGCDRO CCCn1nccc1C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000850252053 800517038 /nfs/dbraw/zinc/51/70/38/800517038.db2.gz KWCZDHQNUYWIMI-CQSZACIVSA-N 1 0 286.423 3.210 20 10 CGCDRO c1ccc([C@H]([NH2+]Cc2ccc3c(c2)CCO3)C2CC2)nc1 ZINC000922586013 800619285 /nfs/dbraw/zinc/61/92/85/800619285.db2.gz JHFBLKFEIDXKBH-GOSISDBHSA-N 1 0 280.371 3.257 20 10 CGCDRO COc1cccc(C[N@H+](C)[C@H]2CC[C@H](SC)C2)c1O ZINC001116444863 802352128 /nfs/dbraw/zinc/35/21/28/802352128.db2.gz BQQRBINQYHGDIM-STQMWFEESA-N 1 0 281.421 3.117 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@@H]1CCn2ccnc21 ZINC001117831312 802505226 /nfs/dbraw/zinc/50/52/26/802505226.db2.gz MGAOOVGHIBQNPL-JHJVBQTASA-N 1 0 283.375 3.180 20 10 CGCDRO FC[C@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001119440398 802665247 /nfs/dbraw/zinc/66/52/47/802665247.db2.gz JOYYDIBUJCORMK-OAHLLOKOSA-N 1 0 262.372 3.078 20 10 CGCDRO COc1ccc(C[NH2+]CC2(CC(C)C)CC2)c(O)c1OC ZINC001119952671 802713156 /nfs/dbraw/zinc/71/31/56/802713156.db2.gz BQRVKMKKFCSXHB-UHFFFAOYSA-N 1 0 293.407 3.325 20 10 CGCDRO CCCCC[N@H+](CCCOC)Cc1ccc(N)cc1 ZINC001120268215 802737732 /nfs/dbraw/zinc/73/77/32/802737732.db2.gz CNZKVAIZEHSLRX-UHFFFAOYSA-N 1 0 264.413 3.298 20 10 CGCDRO Cc1cc(CN(C)CCC[NH+](C)C)c(C)n1-c1ccccc1 ZINC001137854163 803785021 /nfs/dbraw/zinc/78/50/21/803785021.db2.gz KVIJARCTJLHDOZ-UHFFFAOYSA-N 1 0 299.462 3.478 20 10 CGCDRO C[N@H+](Cc1ccc(N2CCCCC2)cc1)C1CCOCC1 ZINC001138214030 803873615 /nfs/dbraw/zinc/87/36/15/803873615.db2.gz NIOWIPALJIQZGP-UHFFFAOYSA-N 1 0 288.435 3.288 20 10 CGCDRO Cc1c(C[NH+]2C[C@@H](C)O[C@H](C)C2)c2ccccc2n1C ZINC001138252638 803879771 /nfs/dbraw/zinc/87/97/71/803879771.db2.gz OBFARAXJEFDAQR-CHWSQXEVSA-N 1 0 272.392 3.096 20 10 CGCDRO Cc1c(C[NH+]2CC(c3cccnc3)C2)c2ccccc2n1C ZINC001138258331 803883507 /nfs/dbraw/zinc/88/35/07/803883507.db2.gz QGLJYUBQAWNINV-UHFFFAOYSA-N 1 0 291.398 3.481 20 10 CGCDRO CN1CCCc2cc(C[NH+]3C[C@H]4CCC[C@@H]4C3)ccc21 ZINC001138354817 803900591 /nfs/dbraw/zinc/90/05/91/803900591.db2.gz WAZVKGPIHLGNJJ-IAGOWNOFSA-N 1 0 270.420 3.301 20 10 CGCDRO CN1CCCc2cc(C[N@@H+]3CC[C@@]4(CC4(F)F)C3)ccc21 ZINC001138358768 803902232 /nfs/dbraw/zinc/90/22/32/803902232.db2.gz ZLXJAOMDXJHKRM-MRXNPFEDSA-N 1 0 292.373 3.300 20 10 CGCDRO CC[C@H](C)[N@H+](C)Cc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001139125365 804134778 /nfs/dbraw/zinc/13/47/78/804134778.db2.gz SULWQHVSFHWCQV-NSHDSACASA-N 1 0 275.348 3.037 20 10 CGCDRO Cc1ccc(C[C@@H](C)[NH2+]Cc2ccc(N)cc2)cc1 ZINC001246173203 804187734 /nfs/dbraw/zinc/18/77/34/804187734.db2.gz SWRNBGOZJXNZIS-CQSZACIVSA-N 1 0 254.377 3.298 20 10 CGCDRO Cc1ccc(C[N@@H+](C)Cc2ccc(N(C)C)c(C)c2)cn1 ZINC001139673217 804247582 /nfs/dbraw/zinc/24/75/82/804247582.db2.gz DEWGIVPOYKVUDM-UHFFFAOYSA-N 1 0 283.419 3.396 20 10 CGCDRO CCCC[C@@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)cc2)CC[NH2+]1 ZINC001246309378 804271904 /nfs/dbraw/zinc/27/19/04/804271904.db2.gz KJWYHQXHLUGYPV-IAGOWNOFSA-N 1 0 289.467 3.153 20 10 CGCDRO Cc1ccc(C)c(C[NH+]2CCC3(CCOCC3)CC2)c1O ZINC001140182521 804395947 /nfs/dbraw/zinc/39/59/47/804395947.db2.gz UENHMYXRZGXWFI-UHFFFAOYSA-N 1 0 289.419 3.402 20 10 CGCDRO COC(C)(C)[C@@H]1CCC[N@@H+]1Cc1c(C)ccc(C)c1O ZINC001140182086 804396948 /nfs/dbraw/zinc/39/69/48/804396948.db2.gz IJLVVAGTIRBLEO-HNNXBMFYSA-N 1 0 277.408 3.398 20 10 CGCDRO Cc1ccc(C)c(C[NH+]2CCC(c3ccn(C)n3)CC2)c1O ZINC001140183714 804397350 /nfs/dbraw/zinc/39/73/50/804397350.db2.gz IERJJAPDCYCUFC-UHFFFAOYSA-N 1 0 299.418 3.122 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)C2(CC2)C1 ZINC001140342193 804420123 /nfs/dbraw/zinc/42/01/23/804420123.db2.gz WVFQTYYOCWGGOL-JTQLQIEISA-N 1 0 251.757 3.420 20 10 CGCDRO Oc1cc(Cl)ccc1C[NH+]1CC2(C1)CCCC2 ZINC001140462281 804441330 /nfs/dbraw/zinc/44/13/30/804441330.db2.gz DINWEAYRXKLQGH-UHFFFAOYSA-N 1 0 251.757 3.422 20 10 CGCDRO C[C@H]1C[C@H](C)C[NH+](Cc2c([O-])cc(F)cc2F)C1 ZINC001140583323 804466988 /nfs/dbraw/zinc/46/69/88/804466988.db2.gz DYMVEYWFNDNOPD-UWVGGRQHSA-N 1 0 255.308 3.148 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](c3ccncc3)C2)c1 ZINC001140621344 804477088 /nfs/dbraw/zinc/47/70/88/804477088.db2.gz YBNXUWJZKRPBSJ-OAHLLOKOSA-N 1 0 268.360 3.085 20 10 CGCDRO CCC[N@H+](CCOC)Cc1ccc(N(CC)CC)cc1O ZINC001140851662 804533494 /nfs/dbraw/zinc/53/34/94/804533494.db2.gz NCTWDDNJMBDSAW-UHFFFAOYSA-N 1 0 294.439 3.097 20 10 CGCDRO CC(C)[C@H]1COCCN1Cc1ccc(N(C)C)cc1Cl ZINC001140925725 804551295 /nfs/dbraw/zinc/55/12/95/804551295.db2.gz VGJAFWSVPPERRJ-MRXNPFEDSA-N 1 0 296.842 3.263 20 10 CGCDRO Cc1ccc(C[N@@H+]2CC[C@@H](c3ccncc3)C2)c(O)c1 ZINC001140949832 804556031 /nfs/dbraw/zinc/55/60/31/804556031.db2.gz MUSAGHMEDJMTEQ-OAHLLOKOSA-N 1 0 268.360 3.085 20 10 CGCDRO Cc1ccc(C[N@@H+](C)CCN(C)Cc2ccccc2)c(O)c1 ZINC001140954491 804559030 /nfs/dbraw/zinc/55/90/30/804559030.db2.gz UMVRSXOVWWNIJY-UHFFFAOYSA-N 1 0 298.430 3.264 20 10 CGCDRO CC[N@H+](Cc1ccccc1O)[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246860491 804566147 /nfs/dbraw/zinc/56/61/47/804566147.db2.gz IERTWQROUUAUMX-WBVHZDCISA-N 1 0 290.451 3.381 20 10 CGCDRO CN1CCOc2cc(C[N@@H+]3CCC4(CCCC4)C3)ccc21 ZINC001141143330 804596527 /nfs/dbraw/zinc/59/65/27/804596527.db2.gz VBHYYXGGMQLQAK-UHFFFAOYSA-N 1 0 286.419 3.281 20 10 CGCDRO CCCOC1CN(Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143110252 804803263 /nfs/dbraw/zinc/80/32/63/804803263.db2.gz AIFYQWRLEPBKGZ-UHFFFAOYSA-N 1 0 277.408 3.301 20 10 CGCDRO CCC[N@H+](C)Cc1cc(C)c(Br)cc1O ZINC001250116454 805425160 /nfs/dbraw/zinc/42/51/60/805425160.db2.gz DLUGFTWHYFJITM-UHFFFAOYSA-N 1 0 272.186 3.305 20 10 CGCDRO COc1ccc2c(c1)C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)C2 ZINC001168241178 807363157 /nfs/dbraw/zinc/36/31/57/807363157.db2.gz GBTVCNKTKYHICA-QGZVFWFLSA-N 1 0 296.414 3.018 20 10 CGCDRO C[C@H](CC1CC1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC001258462407 807465404 /nfs/dbraw/zinc/46/54/04/807465404.db2.gz JKLIDBCYYZYJBK-OAHLLOKOSA-N 1 0 288.435 3.144 20 10 CGCDRO CC[C@@H](C)C[C@@H](CC)[NH2+]CCc1ccc(O)c(O)c1 ZINC001258780541 807607722 /nfs/dbraw/zinc/60/77/22/807607722.db2.gz OUCUALHCDQXTDB-TZMCWYRMSA-N 1 0 265.397 3.445 20 10 CGCDRO CC[C@H](C[C@@H](C)CC)[NH2+]Cc1cccc(O)c1O ZINC001258786052 807611969 /nfs/dbraw/zinc/61/19/69/807611969.db2.gz YRLRUPKAYMBKGZ-WCQYABFASA-N 1 0 251.370 3.402 20 10 CGCDRO CC[C@H](Cc1ccccc1)[NH2+]Cc1cccc(O)c1O ZINC001258839946 807652333 /nfs/dbraw/zinc/65/23/33/807652333.db2.gz LPJFZULLLPAOAI-OAHLLOKOSA-N 1 0 271.360 3.209 20 10 CGCDRO CC[C@H](Cc1ccccc1)[NH2+]Cc1ccc(O)cc1O ZINC001258841668 807653348 /nfs/dbraw/zinc/65/33/48/807653348.db2.gz PROLDQJFMKPLIH-OAHLLOKOSA-N 1 0 271.360 3.209 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C[C@H]1CCCC[C@@H]1O ZINC001261277908 807730410 /nfs/dbraw/zinc/73/04/10/807730410.db2.gz OYADKOKSFHIZOZ-TUVASFSCSA-N 1 0 289.419 3.390 20 10 CGCDRO C[C@H]([NH2+]C1CC(C)(C)N(O)C(C)(C)C1)c1ccccc1O ZINC001169975912 807732882 /nfs/dbraw/zinc/73/28/82/807732882.db2.gz CDFCXZXOLUOLSW-LBPRGKRZSA-N 1 0 292.423 3.454 20 10 CGCDRO Cc1c([C@H](C)[NH2+][C@H](C)c2ccc(Cl)cc2O)cnn1C ZINC001261374676 807740352 /nfs/dbraw/zinc/74/03/52/807740352.db2.gz QJWSFOOTMYBHRV-ZJUUUORDSA-N 1 0 293.798 3.499 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@H]2CCC[C@@H](F)C2)c1O ZINC001261515794 807754966 /nfs/dbraw/zinc/75/49/66/807754966.db2.gz UJYIXBTZLKULIO-TUAOUCFPSA-N 1 0 267.344 3.332 20 10 CGCDRO CS[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC001261851009 807795309 /nfs/dbraw/zinc/79/53/09/807795309.db2.gz GBOORODTLFZNOT-KOMQPUFPSA-N 1 0 276.449 3.270 20 10 CGCDRO Cc1cc(O)c(CN2CCc3ncncc3C2)cc1C(C)C ZINC001262054283 807814828 /nfs/dbraw/zinc/81/48/28/807814828.db2.gz AZUOERBCVVVDRY-UHFFFAOYSA-N 1 0 297.402 3.172 20 10 CGCDRO Oc1cccc2c1C[N@@H+]([C@H]1Cc3cccc(F)c3C1)CC2 ZINC001171807384 808146148 /nfs/dbraw/zinc/14/61/48/808146148.db2.gz UAWFLOBPWAGOCB-AWEZNQCLSA-N 1 0 283.346 3.057 20 10 CGCDRO CC[C@@H](C)OCC[C@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC001172320656 808230176 /nfs/dbraw/zinc/23/01/76/808230176.db2.gz YWXNYQUMVYPZQL-UONOGXRCSA-N 1 0 277.408 3.305 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](C)CCOC(C)C)cc1C ZINC001172441754 808316334 /nfs/dbraw/zinc/31/63/34/808316334.db2.gz PNSHFIGTRGLNRZ-AWEZNQCLSA-N 1 0 265.397 3.297 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2CCc3ncsc3C2)cc1C ZINC001173133231 808522475 /nfs/dbraw/zinc/52/24/75/808522475.db2.gz UPQUKJJVSJULCF-ZDUSSCGKSA-N 1 0 288.416 3.107 20 10 CGCDRO CC[C@H]1CC[C@H]([N@@H+]2CCCc3cc(O)c(O)cc3C2)C1 ZINC001173291375 808590967 /nfs/dbraw/zinc/59/09/67/808590967.db2.gz AVIFSQSZVAHYAW-WFASDCNBSA-N 1 0 275.392 3.425 20 10 CGCDRO CC[C@@H]1CC[C@@H]([N@@H+]2CCCc3cc(O)c(O)cc3C2)C1 ZINC001173291370 808591319 /nfs/dbraw/zinc/59/13/19/808591319.db2.gz AVIFSQSZVAHYAW-IUODEOHRSA-N 1 0 275.392 3.425 20 10 CGCDRO COc1ccc(N2CCC[C@@]3(CCC[N@H+](C)C3)C2)c(C)c1 ZINC001277019245 809054648 /nfs/dbraw/zinc/05/46/48/809054648.db2.gz XOUOKUFPMJDFOW-GOSISDBHSA-N 1 0 288.435 3.316 20 10 CGCDRO FC1(CC[NH2+]Cc2ccc3c(c2)CCCO3)CCC1 ZINC001178840577 809890864 /nfs/dbraw/zinc/89/08/64/809890864.db2.gz SQNNHIWENIQYTA-UHFFFAOYSA-N 1 0 263.356 3.384 20 10 CGCDRO c1cc2c(cc1C[NH2+][C@@H]1C[C@H]1C1CCC1)CCCO2 ZINC001178998110 809897697 /nfs/dbraw/zinc/89/76/97/809897697.db2.gz CRYFDXFXFLLGPE-JKSUJKDBSA-N 1 0 257.377 3.290 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+]C3CCC(C)CC3)C2)cc1 ZINC001179128768 809905695 /nfs/dbraw/zinc/90/56/95/809905695.db2.gz GOGOTYLLZATZOZ-GPANFISMSA-N 1 0 288.435 3.442 20 10 CGCDRO C=C/C=C\CC[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC001179472841 809923168 /nfs/dbraw/zinc/92/31/68/809923168.db2.gz ANFCPMFSXFCNRH-UEPDSTOUSA-N 1 0 256.393 3.488 20 10 CGCDRO C[C@@H]1C[N@H+](C/C=C/c2ccc(N(C)C)cc2)CC(C)(C)O1 ZINC001180039094 809968523 /nfs/dbraw/zinc/96/85/23/809968523.db2.gz LHKHVBGYPRNPRB-LQYUOIDQSA-N 1 0 288.435 3.265 20 10 CGCDRO Cc1cc(O)c(CN(C)CCC[NH+]2CCCC2)c(Cl)c1 ZINC001181235458 810043332 /nfs/dbraw/zinc/04/33/32/810043332.db2.gz XFVRQTQFJIBXOK-UHFFFAOYSA-N 1 0 296.842 3.272 20 10 CGCDRO Cc1ccc(C[N@H+](C)Cc2ccc(N3CCCC3)cc2)nn1 ZINC001181554923 810059331 /nfs/dbraw/zinc/05/93/31/810059331.db2.gz HMGWTUCHVWFWCV-UHFFFAOYSA-N 1 0 296.418 3.017 20 10 CGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CCC[C@H](F)C2)c1 ZINC001182756154 810123190 /nfs/dbraw/zinc/12/31/90/810123190.db2.gz WZTPFDCFXZHQJB-AWEZNQCLSA-N 1 0 251.345 3.450 20 10 CGCDRO CC[C@@H](COCC1CC1)[NH2+]Cc1c(C)cc(OC)cc1O ZINC001182854235 810127518 /nfs/dbraw/zinc/12/75/18/810127518.db2.gz HMIPBUUMAGQZHB-AWEZNQCLSA-N 1 0 293.407 3.004 20 10 CGCDRO C[N@H+](Cc1cccc(=O)[nH]1)Cc1ccc2ccccc2c1O ZINC001183971504 810172729 /nfs/dbraw/zinc/17/27/29/810172729.db2.gz HQJOYJBJPJBGGG-UHFFFAOYSA-N 1 0 294.354 3.278 20 10 CGCDRO COc1ccc(CN[C@@H](c2nc(C)no2)C(C)C)cc1C ZINC001198872633 811550315 /nfs/dbraw/zinc/55/03/15/811550315.db2.gz QSBOQGWZXIZVDZ-OAHLLOKOSA-N 1 0 289.379 3.182 20 10 CGCDRO CSCCC[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001201689939 811938007 /nfs/dbraw/zinc/93/80/07/811938007.db2.gz OBHXNDQROAEFAD-UHFFFAOYSA-N 1 0 278.465 3.472 20 10 CGCDRO CC[C@@H]1C[C@H]1C[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC001202388893 812083257 /nfs/dbraw/zinc/08/32/57/812083257.db2.gz YDVPKHFRSBGJBW-CVEARBPZSA-N 1 0 299.418 3.076 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@H](F)CC1 ZINC001203651813 812414876 /nfs/dbraw/zinc/41/48/76/812414876.db2.gz XJGSZSQGRMUJHX-LBPRGKRZSA-N 1 0 257.736 3.370 20 10 CGCDRO COC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(Cl)ccc1O ZINC001203664458 812422416 /nfs/dbraw/zinc/42/24/16/812422416.db2.gz FTIWDXQTYPMTND-PBWFPOADSA-N 1 0 281.783 3.187 20 10 CGCDRO Cc1cccc(CC[N@@H+](C)Cc2ccc(O)c(O)c2)c1 ZINC001203882680 812479464 /nfs/dbraw/zinc/47/94/64/812479464.db2.gz QIBCZMXQOOKWOG-UHFFFAOYSA-N 1 0 271.360 3.081 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](CCCO)C(C)C)cc1 ZINC001203939779 812497689 /nfs/dbraw/zinc/49/76/89/812497689.db2.gz VIFPYSFWESONAW-UHFFFAOYSA-N 1 0 278.440 3.126 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCO[C@H](C(C)C)C2)cc1 ZINC001203941919 812498019 /nfs/dbraw/zinc/49/80/19/812498019.db2.gz GXHSMXPMTLAOIU-SFHVURJKSA-N 1 0 290.451 3.390 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)cc1 ZINC001203939387 812498031 /nfs/dbraw/zinc/49/80/31/812498031.db2.gz ARCTYHAXCWXUNE-BHYGNILZSA-N 1 0 276.399 3.323 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](C)[C@@H](O)CC2)cc1 ZINC001203937189 812498083 /nfs/dbraw/zinc/49/80/83/812498083.db2.gz QZPHEHYMHMYQCE-YJBOKZPZSA-N 1 0 290.451 3.126 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)cc1 ZINC001204174239 812565037 /nfs/dbraw/zinc/56/50/37/812565037.db2.gz LDVKIOSHFBFEBB-UHFFFAOYSA-N 1 0 283.371 3.355 20 10 CGCDRO C[C@H]1C[C@H](O)CC[N@@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001204241814 812583498 /nfs/dbraw/zinc/58/34/98/812583498.db2.gz JAFRXSHWJXSZHN-GOEBONIOSA-N 1 0 298.430 3.251 20 10 CGCDRO COC[C@H]1CC[N@@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001204240644 812583540 /nfs/dbraw/zinc/58/35/40/812583540.db2.gz BSSIGDASQXSOBF-OAHLLOKOSA-N 1 0 284.403 3.127 20 10 CGCDRO CC(C)C[NH+](Cc1ccc(O)cc1O)CC(C)C ZINC001204271703 812591723 /nfs/dbraw/zinc/59/17/23/812591723.db2.gz CDXMKQDCBVIUOY-UHFFFAOYSA-N 1 0 251.370 3.212 20 10 CGCDRO CC[N@H+](CCn1ccnc1)Cc1ccc(N2CCCC2)cc1 ZINC001204328963 812614397 /nfs/dbraw/zinc/61/43/97/812614397.db2.gz VUFNKAICCLHDFL-UHFFFAOYSA-N 1 0 298.434 3.005 20 10 CGCDRO c1cc(N2CCCC2)ccc1C[N@@H+]1CCC[C@H]2C[C@H]21 ZINC001204328595 812614558 /nfs/dbraw/zinc/61/45/58/812614558.db2.gz KETRQZGPAFDFCU-DOTOQJQBSA-N 1 0 256.393 3.271 20 10 CGCDRO CC(C)(C)c1ccc(CN2CCC[C@](C)([NH3+])C2)c(O)c1 ZINC001204947364 812793344 /nfs/dbraw/zinc/79/33/44/812793344.db2.gz XTVNMFMPNLVESC-KRWDZBQOSA-N 1 0 276.424 3.003 20 10 CGCDRO CCCN(Cc1cncn1CCC)c1ccc(C[NH3+])cc1 ZINC001205659147 813046299 /nfs/dbraw/zinc/04/62/99/813046299.db2.gz DFTCGJHYGQYKAA-UHFFFAOYSA-N 1 0 286.423 3.168 20 10 CGCDRO CC[C@]1(O)CCC[N@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC001207101264 813487652 /nfs/dbraw/zinc/48/76/52/813487652.db2.gz HJOZPZPLQVOVDC-HNNXBMFYSA-N 1 0 283.799 3.091 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2C[C@H]2[C@@H]2C[C@H]2C)c1O ZINC001207594640 813604505 /nfs/dbraw/zinc/60/45/05/813604505.db2.gz CCRVWTGNPYHABW-WRSRJMLGSA-N 1 0 281.783 3.188 20 10 CGCDRO CS[C@H](C)CC[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC001208150138 813709351 /nfs/dbraw/zinc/70/93/51/813709351.db2.gz PVNRTRFZSPDTLR-CYBMUJFWSA-N 1 0 266.454 3.326 20 10 CGCDRO C[N@H+]1CC=C(N(c2ccc(N)cc2)c2ccc(N)cc2)CC1 ZINC001208910992 813897441 /nfs/dbraw/zinc/89/74/41/813897441.db2.gz WTHYCWKVRJKIFE-UHFFFAOYSA-N 1 0 294.402 3.209 20 10 CGCDRO C[C@@H]1C[C@@H](C[N@H+](C)Cc2ccc(N(C)C)cc2)C[C@H](C)O1 ZINC001209399852 814014573 /nfs/dbraw/zinc/01/45/73/814014573.db2.gz VBLDWUVODFUFCI-SCAQPMJSSA-N 1 0 290.451 3.388 20 10 CGCDRO Oc1c(Cl)cccc1Nc1cc[nH+]c2c1CCC2 ZINC001210220564 814349096 /nfs/dbraw/zinc/34/90/96/814349096.db2.gz ZQFGJPJLUHNWTR-UHFFFAOYSA-N 1 0 260.724 3.095 20 10 CGCDRO Cc1cc(CN2CC[NH2+][C@@H](C)CC2)c(C)n1-c1ccccc1 ZINC001210474617 814479619 /nfs/dbraw/zinc/47/96/19/814479619.db2.gz HIEJHGXQZSQGCX-HNNXBMFYSA-N 1 0 297.446 3.278 20 10 CGCDRO CCN1CCc2cc(O[C@H]3CC[NH2+]C4(CCC4)C3)ccc21 ZINC001218309673 816160455 /nfs/dbraw/zinc/16/04/55/816160455.db2.gz RFXFLRURXXAQHW-INIZCTEOSA-N 1 0 286.419 3.123 20 10 CGCDRO Cc1cc(Cl)cc(CN2CC[C@]3(C2)CCCC[NH2+]3)c1O ZINC001222434426 816443621 /nfs/dbraw/zinc/44/36/21/816443621.db2.gz JFUPAXVCDMKMBL-INIZCTEOSA-N 1 0 294.826 3.072 20 10 CGCDRO Cn1ccc2ccc(-c3cnn(CC[NH+]4CCCC4)c3)cc21 ZINC001222483635 816454917 /nfs/dbraw/zinc/45/49/17/816454917.db2.gz VJUOEHRWZAJOGP-UHFFFAOYSA-N 1 0 294.402 3.138 20 10 CGCDRO Cc1cc(C)c(CN2CC[NH+](C3CCCC3)CC2)c(O)c1 ZINC001231846020 818187379 /nfs/dbraw/zinc/18/73/79/818187379.db2.gz XZHGWOBHVAFQEK-UHFFFAOYSA-N 1 0 288.435 3.069 20 10 CGCDRO Cc1cc(C)c(C[N@H+](C)CCc2cccnc2)c(O)c1 ZINC001231846748 818187856 /nfs/dbraw/zinc/18/78/56/818187856.db2.gz OJYJUSREQMPZQN-UHFFFAOYSA-N 1 0 270.376 3.079 20 10 CGCDRO CC(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC001231870371 818194393 /nfs/dbraw/zinc/19/43/93/818194393.db2.gz WPSNPXNJNLYXOL-GFCCVEGCSA-N 1 0 281.783 3.155 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)cc1Cl ZINC001231869823 818194645 /nfs/dbraw/zinc/19/46/45/818194645.db2.gz ZWIGDMSIUOHLAD-LRDDRELGSA-N 1 0 295.810 3.355 20 10 CGCDRO CC1(C)COCC[N@@H+]1Cc1ccc2ccccc2c1O ZINC001231882708 818201289 /nfs/dbraw/zinc/20/12/89/818201289.db2.gz SGKWGCAIGMNNCQ-UHFFFAOYSA-N 1 0 271.360 3.156 20 10 CGCDRO CN1CCC[C@H]2C[N@H+](Cc3ccc4ccccc4c3O)C[C@H]21 ZINC001231883554 818202486 /nfs/dbraw/zinc/20/24/86/818202486.db2.gz OXLSRUDHLFYCNR-MAUKXSAKSA-N 1 0 296.414 3.071 20 10 CGCDRO C[C@@H]1CCCC[N@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232259538 818295714 /nfs/dbraw/zinc/29/57/14/818295714.db2.gz KQUGALXGLHMTAD-SNVBAGLBSA-N 1 0 269.772 3.373 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CCc3cccc(O)c3C2)c(C)n1 ZINC001232310064 818310397 /nfs/dbraw/zinc/31/03/97/818310397.db2.gz KELAKLDGYXCFFV-UHFFFAOYSA-N 1 0 298.386 3.053 20 10 CGCDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)Cc1cc(F)ccn1 ZINC001232496871 818372847 /nfs/dbraw/zinc/37/28/47/818372847.db2.gz WYJMGVQUQKPEHZ-UHFFFAOYSA-N 1 0 299.393 3.453 20 10 CGCDRO CC(C)[NH+](Cc1ccc(N(C)C)cc1O)C(C)C ZINC001232834688 818452161 /nfs/dbraw/zinc/45/21/61/818452161.db2.gz JRAUIVOLNBAHRB-UHFFFAOYSA-N 1 0 250.386 3.077 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H]3CCCC[C@H]3C2)c(O)c1 ZINC001232840189 818453077 /nfs/dbraw/zinc/45/30/77/818453077.db2.gz OOLGIOPBZWMNAV-CABCVRRESA-N 1 0 288.435 3.470 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H]2c2ccccc2)c(O)c1 ZINC001232840385 818453364 /nfs/dbraw/zinc/45/33/64/818453364.db2.gz VZAFTCQHSUKYOE-KRWDZBQOSA-N 1 0 282.387 3.405 20 10 CGCDRO CN(C)c1ccc(C[NH+]2CC(c3ccccc3)C2)c(O)c1 ZINC001232840529 818453398 /nfs/dbraw/zinc/45/33/98/818453398.db2.gz ZCZCONMXDADJGK-UHFFFAOYSA-N 1 0 282.387 3.058 20 10 CGCDRO C[C@H]1CCCCC[N@@H+]1Cc1ccc(N(C)C)cc1O ZINC001232839156 818453528 /nfs/dbraw/zinc/45/35/28/818453528.db2.gz MGZPNZLJCXFAAM-ZDUSSCGKSA-N 1 0 262.397 3.223 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2c2ccccn2)c(O)c1 ZINC001232838511 818453617 /nfs/dbraw/zinc/45/36/17/818453617.db2.gz GSYXZUBEMDTPQS-QGZVFWFLSA-N 1 0 297.402 3.190 20 10 CGCDRO C[NH+](C)CCC[N@H+](C)Cc1cc(C(C)(C)C)ccc1O ZINC001233283813 818566190 /nfs/dbraw/zinc/56/61/90/818566190.db2.gz XBCFRHBMYVDNLN-UHFFFAOYSA-N 1 0 278.440 3.073 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2cc(C(C)(C)C)ccc2O)CCC[C@@H]1O ZINC001233283897 818566750 /nfs/dbraw/zinc/56/67/50/818566750.db2.gz AAJSTIHPAKYYTO-CJNGLKHVSA-N 1 0 291.435 3.283 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2cc(C(C)(C)C)ccc2O)[C@H](C)CO1 ZINC001233287092 818567148 /nfs/dbraw/zinc/56/71/48/818567148.db2.gz WGIZJWLMEGRNBJ-CHWSQXEVSA-N 1 0 277.408 3.299 20 10 CGCDRO Nc1ccc(C[N@@H+]2CCc3cccc(O)c3C2)c(Cl)c1 ZINC001233376839 818602705 /nfs/dbraw/zinc/60/27/05/818602705.db2.gz CGGYONIDDJNDGE-UHFFFAOYSA-N 1 0 288.778 3.186 20 10 CGCDRO C[C@@H]1C[NH+](Cc2ccc(C(F)(F)F)cc2O)C[C@@H](C)O1 ZINC001233451348 818623345 /nfs/dbraw/zinc/62/33/45/818623345.db2.gz HHRKKADTWCRDAE-NXEZZACHSA-N 1 0 289.297 3.020 20 10 CGCDRO Cc1cc(CN2CC[NH2+]CC23CC3)c(C)n1-c1ccccc1 ZINC001234972686 818968407 /nfs/dbraw/zinc/96/84/07/818968407.db2.gz DFKMBFAKKIVWMH-UHFFFAOYSA-N 1 0 295.430 3.032 20 10 CGCDRO Cc1cc(O)c(CN2CCCC[C@@]23CC[NH2+]C3)cc1Cl ZINC001235117510 819010229 /nfs/dbraw/zinc/01/02/29/819010229.db2.gz IYXWKOIMBVWSMA-INIZCTEOSA-N 1 0 294.826 3.072 20 10 CGCDRO Cc1ccccc1O[C@@H]1CC[N@H+](Cc2ccc(N)cc2)C1 ZINC001235675643 819136784 /nfs/dbraw/zinc/13/67/84/819136784.db2.gz QLDVAEKACPODSU-QGZVFWFLSA-N 1 0 282.387 3.231 20 10 CGCDRO C[C@H]1CC[C@H]([NH3+])CN1Cc1cc(C(C)(C)C)ccc1O ZINC001235902417 819212463 /nfs/dbraw/zinc/21/24/63/819212463.db2.gz FSUDXRFYGGGABO-WFASDCNBSA-N 1 0 276.424 3.001 20 10 CGCDRO Cc1ccc([C@@]2(C)C[N@H+](Cc3ccc(N)cc3)CCO2)cc1 ZINC001235947984 819237905 /nfs/dbraw/zinc/23/79/05/819237905.db2.gz JGWBULQPCUEFGX-LJQANCHMSA-N 1 0 296.414 3.325 20 10 CGCDRO C[C@@H]1CN(Cc2cc(Cl)c(C(C)(C)C)cc2O)C[C@@H]1[NH3+] ZINC001236094477 819311426 /nfs/dbraw/zinc/31/14/26/819311426.db2.gz XPCHNOXQNMKAQZ-YGRLFVJLSA-N 1 0 296.842 3.122 20 10 CGCDRO CCN(CC[NH2+]C)Cc1ccc(-n2c(C)ccc2C)cc1 ZINC001236143710 819344580 /nfs/dbraw/zinc/34/45/80/819344580.db2.gz MOPFXAGXPUOSQN-UHFFFAOYSA-N 1 0 285.435 3.135 20 10 CGCDRO C[C@@H]1[C@H]([NH3+])CCCN1Cc1ccc(C(C)(C)C)cc1O ZINC001236421324 819467902 /nfs/dbraw/zinc/46/79/02/819467902.db2.gz UFLFXDPXFDPGMA-IUODEOHRSA-N 1 0 276.424 3.001 20 10 CGCDRO CC(C)N(Cc1c(O)ccc2ccccc21)[C@@H]1CC[NH2+]C1 ZINC001236527195 819519476 /nfs/dbraw/zinc/51/94/76/819519476.db2.gz IGRMVNDQMWGKRE-OAHLLOKOSA-N 1 0 284.403 3.118 20 10 CGCDRO Cc1c(CN(C(C)C)[C@H]2CC[NH2+]C2)c2ccccc2n1C ZINC001236528833 819520170 /nfs/dbraw/zinc/52/01/70/819520170.db2.gz KFSAVQGKNHTLEP-HNNXBMFYSA-N 1 0 285.435 3.059 20 10 CGCDRO CCc1ccc(C[NH+]2CCC(n3nccc3C)CC2)c(O)c1 ZINC001236788486 819595426 /nfs/dbraw/zinc/59/54/26/819595426.db2.gz ODTIBZFQWKRXKI-UHFFFAOYSA-N 1 0 299.418 3.297 20 10 CGCDRO CCc1ccc(C[N@@H+]2CCC[C@@H]2c2ncccn2)c(O)c1 ZINC001236787882 819595484 /nfs/dbraw/zinc/59/54/84/819595484.db2.gz LUHCSXCXEBJHQT-OAHLLOKOSA-N 1 0 283.375 3.082 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](CF)C2)c(Cl)c1 ZINC001236800585 819599488 /nfs/dbraw/zinc/59/94/88/819599488.db2.gz ABYVUCVXLYWGTC-SNVBAGLBSA-N 1 0 287.762 3.236 20 10 CGCDRO CC[N@H+](Cc1c(O)cc(OC)cc1Cl)C(C)C ZINC001236802957 819601629 /nfs/dbraw/zinc/60/16/29/819601629.db2.gz KXLKPUIPENGAET-UHFFFAOYSA-N 1 0 257.761 3.285 20 10 CGCDRO COc1cc(O)c(C[N@H+]2CCC[C@H](OC)CC2)c(Cl)c1 ZINC001236803945 819602926 /nfs/dbraw/zinc/60/29/26/819602926.db2.gz QZHGRXQSLHJIFW-NSHDSACASA-N 1 0 299.798 3.055 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CC[C@H]3CCC[C@H]3C2)c(O)c1 ZINC001236808709 819603879 /nfs/dbraw/zinc/60/38/79/819603879.db2.gz RIIITRUQZYEKET-KGLIPLIRSA-N 1 0 275.392 3.331 20 10 CGCDRO COc1cc(C)c(C[N@H+](C)C2CCCCC2)c(O)c1 ZINC001236819620 819606487 /nfs/dbraw/zinc/60/64/87/819606487.db2.gz XRUCRRFGXBQPMH-UHFFFAOYSA-N 1 0 263.381 3.474 20 10 CGCDRO C[N@H+](Cc1ccno1)Cc1cc2ccccc2cc1O ZINC001236838246 819616667 /nfs/dbraw/zinc/61/66/67/819616667.db2.gz XNQGMTXUDKHUOQ-UHFFFAOYSA-N 1 0 268.316 3.165 20 10 CGCDRO C[N@H+](CCC[NH+]1CCCC1)Cc1cc2ccccc2cc1O ZINC001236842902 819618197 /nfs/dbraw/zinc/61/81/97/819618197.db2.gz ZZTMEPYSBOLXAL-UHFFFAOYSA-N 1 0 298.430 3.463 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2CCC[C@@](C)(O)CC2)c(O)c1 ZINC001237046571 819649979 /nfs/dbraw/zinc/64/99/79/819649979.db2.gz UCEFHZIILBQRHM-QGZVFWFLSA-N 1 0 277.408 3.253 20 10 CGCDRO CC[C@@]12C[C@@H](CO1)[N@H+](Cc1ccc(C(C)C)cc1O)C2 ZINC001237047924 819650409 /nfs/dbraw/zinc/65/04/09/819650409.db2.gz AQNXCTAEHOCJOO-RDJZCZTQSA-N 1 0 275.392 3.269 20 10 CGCDRO CC(C)c1ccc(C[N@H+](C)CC2CCOCC2)c(O)c1 ZINC001237044977 819650446 /nfs/dbraw/zinc/65/04/46/819650446.db2.gz GIXCRVIERHCAIU-UHFFFAOYSA-N 1 0 277.408 3.374 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2CCC[C@H]3CN(C)C[C@@H]32)c(O)c1 ZINC001237050018 819652558 /nfs/dbraw/zinc/65/25/58/819652558.db2.gz VSBPOUDSAHHRKW-RDJZCZTQSA-N 1 0 288.435 3.042 20 10 CGCDRO CC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(C(C)C)cc1O ZINC001237055470 819655018 /nfs/dbraw/zinc/65/50/18/819655018.db2.gz PFWGROATJZUSFV-MRXNPFEDSA-N 1 0 275.392 3.459 20 10 CGCDRO COC(=O)[C@H](C(C)C)[N@H+](C)Cc1ccc(C(C)C)cc1O ZINC001237054801 819655400 /nfs/dbraw/zinc/65/54/00/819655400.db2.gz HCKPILSUDPJNTK-INIZCTEOSA-N 1 0 293.407 3.145 20 10 CGCDRO COC1(C)CC[NH+](Cc2c(O)ccc(F)c2Cl)CC1 ZINC001237122138 819673180 /nfs/dbraw/zinc/67/31/80/819673180.db2.gz SIOLHGMBLUBZAH-UHFFFAOYSA-N 1 0 287.762 3.186 20 10 CGCDRO Oc1cc(Cl)ccc1CN(C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC001237153736 819681912 /nfs/dbraw/zinc/68/19/12/819681912.db2.gz HBXYOXWOJDFNJY-OAHLLOKOSA-N 1 0 294.826 3.152 20 10 CGCDRO Oc1ccc(F)c(Cl)c1CN1CC[NH2+]C2=CCCC[C@H]21 ZINC001237231035 819707019 /nfs/dbraw/zinc/70/70/19/819707019.db2.gz UWHPKVRNAOZFLQ-CYBMUJFWSA-N 1 0 296.773 3.026 20 10 CGCDRO Cc1cccc(O)c1C[N@H+](C)Cc1cnc(Cl)s1 ZINC001237484342 819761940 /nfs/dbraw/zinc/76/19/40/819761940.db2.gz CFMBFRUUJHTKFB-UHFFFAOYSA-N 1 0 282.796 3.443 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccn3nccc3c2)cc1 ZINC001237545203 819777353 /nfs/dbraw/zinc/77/73/53/819777353.db2.gz QJXQZXVXGJTFFG-UHFFFAOYSA-N 1 0 294.402 3.032 20 10 CGCDRO COc1cc(C[N@H+](C)Cc2ccsc2)c(O)c(OC)c1 ZINC001237678449 819804380 /nfs/dbraw/zinc/80/43/80/819804380.db2.gz OHDLALAEGZXJSQ-UHFFFAOYSA-N 1 0 293.388 3.103 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H]3C[C@H]32)cc1Br ZINC001237687115 819805379 /nfs/dbraw/zinc/80/53/79/819805379.db2.gz ZRNIOWGBPLOCQF-GXFFZTMASA-N 1 0 296.208 3.447 20 10 CGCDRO Cc1cc(Cl)cc(CN2CCOC[C@@H]2C(C)C)c1O ZINC001237686741 819806691 /nfs/dbraw/zinc/80/66/91/819806691.db2.gz MREVZJXBXXUURD-CQSZACIVSA-N 1 0 283.799 3.211 20 10 CGCDRO Cc1cc(Cl)cc(CN2CC[C@@H]([N@H+](C)C3CC3)C2)c1O ZINC001237690410 819808536 /nfs/dbraw/zinc/80/85/36/819808536.db2.gz XHLJOAGCZIHYBQ-OAHLLOKOSA-N 1 0 294.826 3.023 20 10 CGCDRO Cc1cc(F)cc(C[NH+]2CC(C)(C)OC(C)(C)C2)c1O ZINC001238069382 819923211 /nfs/dbraw/zinc/92/32/11/819923211.db2.gz YYFKAJMLEGXUDC-UHFFFAOYSA-N 1 0 281.371 3.229 20 10 CGCDRO COc1cc(C)cc(F)c1CN(C)Cc1ccccc1O ZINC001238593010 820054792 /nfs/dbraw/zinc/05/47/92/820054792.db2.gz DWAGFANNMIUGCG-UHFFFAOYSA-N 1 0 289.350 3.480 20 10 CGCDRO c1c(C2=CCC[NH2+]CC2)cc2c3c1CCCN3CCC2 ZINC001238945550 820163987 /nfs/dbraw/zinc/16/39/87/820163987.db2.gz RUFOPLHOTJPCIA-UHFFFAOYSA-N 1 0 268.404 3.152 20 10 CGCDRO C(c1cc2c3c(c1)CCCN3CCC2)=C1CC[NH2+]CC1 ZINC001240876701 821385926 /nfs/dbraw/zinc/38/59/26/821385926.db2.gz DYZVNVKIRNGKCB-UHFFFAOYSA-N 1 0 268.404 3.152 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(C2=CC[N@H+](C)CC2)cn1 ZINC001241321738 821731826 /nfs/dbraw/zinc/73/18/26/821731826.db2.gz CFIAJEXHEYMCHP-UHFFFAOYSA-N 1 0 267.376 3.208 20 10 CGCDRO CC1(C)CC[C@@H](C[NH2+]Cc2ccc(N3CCCC3)cc2)O1 ZINC001338422446 936322510 /nfs/dbraw/zinc/32/25/10/936322510.db2.gz OCOVVARTKUJDBQ-KRWDZBQOSA-N 1 0 288.435 3.334 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)c1 ZINC001350582093 936994597 /nfs/dbraw/zinc/99/45/97/936994597.db2.gz AQEQYAVMENHJTK-FRRDWIJNSA-N 1 0 267.319 3.224 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@H](C)c2cnccc2C)c1O ZINC001353585344 937071202 /nfs/dbraw/zinc/07/12/02/937071202.db2.gz VBKRJENOJUDWBT-CYBMUJFWSA-N 1 0 286.375 3.263 20 10 CGCDRO c1cc(N2CCOCC2)ccc1C[NH+]1CCCCCCC1 ZINC000158960612 927157990 /nfs/dbraw/zinc/15/79/90/927157990.db2.gz KTFUCQCWHSNWMF-UHFFFAOYSA-N 1 0 288.435 3.289 20 10 CGCDRO Nc1ccc(C[N@@H+]2C[C@H]3C[C@@]3(c3ccccc3)C2)cc1 ZINC001356083514 937152848 /nfs/dbraw/zinc/15/28/48/937152848.db2.gz QUFDNROSGJFUCT-AEFFLSMTSA-N 1 0 264.372 3.042 20 10 CGCDRO CC1(C)C[N@H+](Cc2cc(F)c(F)cc2[O-])[C@H]1C1CC1 ZINC001474560907 937206354 /nfs/dbraw/zinc/20/63/54/937206354.db2.gz LKYNUQTWXFJVOH-AWEZNQCLSA-N 1 0 267.319 3.291 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)CCOC)cc1F ZINC000152137308 928244374 /nfs/dbraw/zinc/24/43/74/928244374.db2.gz JCNKICAYFDOBQJ-ZDUSSCGKSA-N 1 0 282.403 3.187 20 10 CGCDRO COc1ccc2c(c1)C[C@H](C(C)C)CN2CCCCCO ZINC001460282471 937524404 /nfs/dbraw/zinc/52/44/04/937524404.db2.gz FCVMZHPAQMAQRI-INIZCTEOSA-N 1 0 291.435 3.493 20 10 CGCDRO CCC(CC)[C@@H](O)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000225816417 931951189 /nfs/dbraw/zinc/95/11/89/931951189.db2.gz DNRRIHJVEQCGBB-SFHVURJKSA-N 1 0 290.451 3.174 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@@H](C)CCOC)cc1C ZINC001461131908 937565012 /nfs/dbraw/zinc/56/50/12/937565012.db2.gz YRGGSQMVRVJSHQ-AWEZNQCLSA-N 1 0 265.397 3.298 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CCNc2ccccc2)cc1F ZINC001461262548 937572545 /nfs/dbraw/zinc/57/25/45/937572545.db2.gz MGISWDUVXJJGKA-UHFFFAOYSA-N 1 0 287.382 3.093 20 10 CGCDRO CC(C)[C@H](CO)[C@@H]([NH2+]Cc1c(O)cccc1Cl)C(C)C ZINC001461518339 937584132 /nfs/dbraw/zinc/58/41/32/937584132.db2.gz BYLCVUJISBKFMV-BBRMVZONSA-N 1 0 299.842 3.424 20 10 CGCDRO COC[C@H](CC(C)(C)C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC001461604391 937588244 /nfs/dbraw/zinc/58/82/44/937588244.db2.gz OJJXNTPXHQDWQP-AWEZNQCLSA-N 1 0 296.430 3.433 20 10 CGCDRO CO[C@@H](C[NH2+][C@@H](C)Cc1ccc(N(C)C)cc1C)C1CC1 ZINC001462353071 937634998 /nfs/dbraw/zinc/63/49/98/937634998.db2.gz CYIQGNASZPTSFG-KSSFIOAISA-N 1 0 290.451 3.007 20 10 CGCDRO C[C@@H](O)[C@@H]([NH2+]Cc1ccc(Cl)cc1O)c1ccccc1 ZINC001462479292 937643974 /nfs/dbraw/zinc/64/39/74/937643974.db2.gz NOSUIAHZXQPMOP-BDJLRTHQSA-N 1 0 291.778 3.257 20 10 CGCDRO C[C@@H]1COC2(CCCC2)C[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC001307957052 933027455 /nfs/dbraw/zinc/02/74/55/933027455.db2.gz AFCYTVPPKRZVMV-OAHLLOKOSA-N 1 0 288.435 3.286 20 10 CGCDRO C[C@H]([NH2+]Cc1ncccc1Cl)c1ccccc1O ZINC001308010184 933034401 /nfs/dbraw/zinc/03/44/01/933034401.db2.gz JQVLJIIKOHPNQC-JTQLQIEISA-N 1 0 262.740 3.291 20 10 CGCDRO C[C@H](CN1CCC[C@@H](C)C1)[NH2+]Cc1c(O)cccc1Cl ZINC001308221552 933076064 /nfs/dbraw/zinc/07/60/64/933076064.db2.gz CLDPEDDLFPLUJW-CHWSQXEVSA-N 1 0 296.842 3.256 20 10 CGCDRO c1cc(C[NH2+]CCC[C@H]2CCCCO2)cc2c1OCC2 ZINC001308365150 933101194 /nfs/dbraw/zinc/10/11/94/933101194.db2.gz BAYVDBZKOBUMMD-MRXNPFEDSA-N 1 0 275.392 3.060 20 10 CGCDRO COC[C@H](Cc1ccccc1)[N@H+](C)Cc1ccc(C)cc1O ZINC001308740108 933168546 /nfs/dbraw/zinc/16/85/46/933168546.db2.gz NCEYRSCHOSLPJJ-SFHVURJKSA-N 1 0 299.414 3.390 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2C[C@@H]3CCC[C@H]23)c1 ZINC001308749104 933169447 /nfs/dbraw/zinc/16/94/47/933169447.db2.gz ZSEIJRMKUUNPMZ-REJLFOLJSA-N 1 0 261.365 3.240 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001308812094 933181966 /nfs/dbraw/zinc/18/19/66/933181966.db2.gz VPELZPPXHLNZKQ-LSDHHAIUSA-N 1 0 280.362 3.148 20 10 CGCDRO CC1(C)CCN(Cc2ccc(Cl)cc2O)CC(C)(C)[NH2+]1 ZINC001308983678 933221801 /nfs/dbraw/zinc/22/18/01/933221801.db2.gz IFTPPNDZSDASOC-UHFFFAOYSA-N 1 0 296.842 3.398 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCC[C@H]2N(C)C)c1 ZINC001321022485 934135774 /nfs/dbraw/zinc/13/57/74/934135774.db2.gz GHLCXPBVQQIMBR-NUEKZKHPSA-N 1 0 276.424 3.224 20 10 CGCDRO CO[C@H](C)[C@H](C)[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2C ZINC001321714281 934205932 /nfs/dbraw/zinc/20/59/32/934205932.db2.gz WXYHMPMTUSCNNL-RVMXOQNASA-N 1 0 263.381 3.262 20 10 CGCDRO CS[C@H]1CC[C@@H]([N@H+](C)Cc2cc(C)ccc2O)C1 ZINC001324753488 934563598 /nfs/dbraw/zinc/56/35/98/934563598.db2.gz VZWUVEJXRXOIPM-KGLIPLIRSA-N 1 0 265.422 3.417 20 10 CGCDRO Cc1cccnc1C[NH2+]CCCSc1nccs1 ZINC001325159538 934891129 /nfs/dbraw/zinc/89/11/29/934891129.db2.gz SYPXCSXRYOHNHA-UHFFFAOYSA-N 1 0 279.434 3.119 20 10 CGCDRO CCC(C)(C)[NH+]1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC001473595512 937812848 /nfs/dbraw/zinc/81/28/48/937812848.db2.gz IFVKWBBSTKLLBI-UHFFFAOYSA-N 1 0 289.467 3.059 20 10 CGCDRO COCC[N@H+](Cc1ccc(N)cc1)[C@@H](C)c1ccccc1 ZINC001334753461 936111689 /nfs/dbraw/zinc/11/16/89/936111689.db2.gz DORLZFSJGNWTRM-HNNXBMFYSA-N 1 0 284.403 3.478 20 10 CGCDRO C[N@H+](CCCOc1ccc(F)cc1)Cc1ccc(N)cc1 ZINC001336286284 936186100 /nfs/dbraw/zinc/18/61/00/936186100.db2.gz QOOBRQLIGVMUQH-UHFFFAOYSA-N 1 0 288.366 3.309 20 10 CGCDRO Nc1ccc(C[NH+]2CCC(c3ccco3)CC2)cc1 ZINC001337838781 936293928 /nfs/dbraw/zinc/29/39/28/936293928.db2.gz UDCMTBJYMVSZPJ-UHFFFAOYSA-N 1 0 256.349 3.241 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)CN1C1CC1 ZINC001474066519 937838649 /nfs/dbraw/zinc/83/86/49/937838649.db2.gz YNESTRNVJXQELK-NVXWUHKLSA-N 1 0 299.462 3.002 20 10 CGCDRO CCC[N@H+](C)C[C@H]1CCN(Cc2ccc(Cl)cc2O)C1 ZINC001474308871 937850646 /nfs/dbraw/zinc/85/06/46/937850646.db2.gz IJOWCIOSAUOYQS-CYBMUJFWSA-N 1 0 296.842 3.209 20 10 CGCDRO COc1cc(C)c(C[NH2+]CC(C)(C)CC(F)F)c(O)c1 ZINC001474687836 937875328 /nfs/dbraw/zinc/87/53/28/937875328.db2.gz OHDJYIREPMLEQB-UHFFFAOYSA-N 1 0 287.350 3.480 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+]CC3CCCCC3)C2)cc1 ZINC001560528826 938261620 /nfs/dbraw/zinc/26/16/20/938261620.db2.gz GVHTVKKPCFFWDJ-INIZCTEOSA-N 1 0 288.435 3.444 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)cc1F ZINC001560557366 938262972 /nfs/dbraw/zinc/26/29/72/938262972.db2.gz KZILAHSEUPYYJF-XJKCOSOUSA-N 1 0 294.414 3.327 20 10 CGCDRO CC(C)c1ccc(O)c(C[N@H+](C)C[C@H]2CCCO2)c1 ZINC001560732945 938273114 /nfs/dbraw/zinc/27/31/14/938273114.db2.gz HFEBTGADAZBQIC-OAHLLOKOSA-N 1 0 263.381 3.126 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+][C@@H](C)CN(C)C(C)C)c1 ZINC001560866967 938280643 /nfs/dbraw/zinc/28/06/43/938280643.db2.gz UMSHXFHCZPFQDM-AWEZNQCLSA-N 1 0 278.440 3.334 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CCC[C@@H](CCF)C2)c(O)c1 ZINC001560931723 938284603 /nfs/dbraw/zinc/28/46/03/938284603.db2.gz OXDWNAPBPDJLDW-ZDUSSCGKSA-N 1 0 281.371 3.281 20 10 CGCDRO Nc1ccc(C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)cc1 ZINC001580445629 962725622 /nfs/dbraw/zinc/72/56/22/962725622.db2.gz MYFLYBKASKYENH-INIZCTEOSA-N 1 0 272.779 3.179 20 10 CGCDRO COC1CCC([N@H+](C)Cc2ccc(N(C)C)cc2)CC1 ZINC000093414792 345877617 /nfs/dbraw/zinc/87/76/17/345877617.db2.gz IFDTWCQNGSWZDI-UHFFFAOYSA-N 1 0 276.424 3.142 20 10 CGCDRO CCc1cccc(C[NH2+]CCSC(C)C)c1O ZINC000691528432 799785231 /nfs/dbraw/zinc/78/52/31/799785231.db2.gz XDRBQZTXFJXXLJ-UHFFFAOYSA-N 1 0 253.411 3.186 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CCCOC(C)C)cc1 ZINC000013721932 368663870 /nfs/dbraw/zinc/66/38/70/368663870.db2.gz QWTTTYHEYCPCGP-UHFFFAOYSA-N 1 0 278.440 3.438 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H](C)Cn1ccnc1C)c1ccccc1O ZINC000124568001 370926305 /nfs/dbraw/zinc/92/63/05/370926305.db2.gz ZKPCEAXNLUIAGZ-CZUORRHYSA-N 1 0 287.407 3.274 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCc3c2cnn3C)c1 ZINC000037087407 369060640 /nfs/dbraw/zinc/06/06/40/369060640.db2.gz LSLPSWBIAQWRQR-SWLSCSKDSA-N 1 0 285.391 3.162 20 10 CGCDRO COc1cccc(C[N@@H+]2CCCC[C@H](SC)C2)c1O ZINC000092064188 370091992 /nfs/dbraw/zinc/09/19/92/370091992.db2.gz AHHUIBYBSHBBKK-ZDUSSCGKSA-N 1 0 281.421 3.118 20 10 CGCDRO COCC[N@H+](Cc1ccco1)Cc1cc(C)c(C)cc1O ZINC000092561949 370098078 /nfs/dbraw/zinc/09/80/78/370098078.db2.gz IUIZSKHHMIQPBA-UHFFFAOYSA-N 1 0 289.375 3.251 20 10 CGCDRO CC[N@H+](Cc1cccc(OC)c1O)[C@@H](C)C(C)C ZINC000092590390 370098682 /nfs/dbraw/zinc/09/86/82/370098682.db2.gz PRIWLJKTJLABLR-LBPRGKRZSA-N 1 0 251.370 3.267 20 10 CGCDRO COc1ccc(N2CCC([NH2+]Cc3ccccc3)CC2)cc1 ZINC000102432793 370304122 /nfs/dbraw/zinc/30/41/22/370304122.db2.gz LJSQRRYTCUYKCD-UHFFFAOYSA-N 1 0 296.414 3.454 20 10 CGCDRO COc1cccc(C[NH2+][C@H]2CCC[C@H](SC)C2)c1O ZINC000117393859 370590266 /nfs/dbraw/zinc/59/02/66/370590266.db2.gz SBVPKJUBCSOPNJ-STQMWFEESA-N 1 0 281.421 3.165 20 10 CGCDRO COC1CC[NH+](Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000132137397 371154254 /nfs/dbraw/zinc/15/42/54/371154254.db2.gz BEQWBNPWMLXRCW-UHFFFAOYSA-N 1 0 290.190 3.310 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CC2(CCOC)CC2)cc1 ZINC000151181827 371579969 /nfs/dbraw/zinc/57/99/69/371579969.db2.gz TXVADQNGEDHVFP-UHFFFAOYSA-N 1 0 290.451 3.439 20 10 CGCDRO COc1ccc(C[NH2+][C@H](C)[C@@H](O)c2ccccc2)cc1C ZINC000288443823 371737844 /nfs/dbraw/zinc/73/78/44/371737844.db2.gz CMMQADKCVZUFKH-RDTXWAMCSA-N 1 0 285.387 3.215 20 10 CGCDRO Cc1cccc(C[N@H+]2CCCCC[C@@H]2C[C@@H](C)O)c1O ZINC000289233006 371751704 /nfs/dbraw/zinc/75/17/04/371751704.db2.gz DDMDOROSNMHABD-GDBMZVCRSA-N 1 0 277.408 3.216 20 10 CGCDRO CO[C@@](C)(C[NH2+][C@@H](C)c1ccc(C)cc1O)C1CC1 ZINC000291296519 372157857 /nfs/dbraw/zinc/15/78/57/372157857.db2.gz SCMXZQVMFXGOCE-LRDDRELGSA-N 1 0 263.381 3.166 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CC3(CCOCC3)[C@H]2C2CC2)c1 ZINC000293625926 372429081 /nfs/dbraw/zinc/42/90/81/372429081.db2.gz LAOBKVURCFBGKG-QGZVFWFLSA-N 1 0 287.403 3.092 20 10 CGCDRO Cc1cccc(C[N@@H+]2CC3(CCOCC3)[C@H]2C2CC2)c1O ZINC000293758741 372471962 /nfs/dbraw/zinc/47/19/62/372471962.db2.gz XLZMXSUEBCPDMJ-QGZVFWFLSA-N 1 0 287.403 3.092 20 10 CGCDRO CN(C)c1ccc(CNCc2c(F)ccc(O)c2F)cc1 ZINC000294169325 372602489 /nfs/dbraw/zinc/60/24/89/372602489.db2.gz JALCIRPCENMPSZ-UHFFFAOYSA-N 1 0 292.329 3.026 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCC(C)(F)F)c1 ZINC000294263610 372632664 /nfs/dbraw/zinc/63/26/64/372632664.db2.gz RDLPVHWUPPLUIR-VIFPVBQESA-N 1 0 259.296 3.097 20 10 CGCDRO COCCC1(C[NH2+][C@H](C)c2c(C)cc(C)cc2O)CC1 ZINC000294566052 372660488 /nfs/dbraw/zinc/66/04/88/372660488.db2.gz BRAWZLSOKQPBRN-CQSZACIVSA-N 1 0 277.408 3.476 20 10 CGCDRO CC1=CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000294407181 372653280 /nfs/dbraw/zinc/65/32/80/372653280.db2.gz WEYMEYLLVMIKCH-KRWDZBQOSA-N 1 0 286.419 3.112 20 10 CGCDRO CC[C@@H](COCC(F)(F)F)[NH2+]Cc1cccc(C)c1O ZINC000295199824 372698580 /nfs/dbraw/zinc/69/85/80/372698580.db2.gz YOOPWINRGACFAM-LBPRGKRZSA-N 1 0 291.313 3.148 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)c1ccc(N(C)CC)cc1)C(C)(C)O ZINC000295016630 372686228 /nfs/dbraw/zinc/68/62/28/372686228.db2.gz NEUYZAGIHLEDTO-CJNGLKHVSA-N 1 0 278.440 3.343 20 10 CGCDRO CC/C=C/C[NH2+]Cc1ccc(OC)c(COCC)c1 ZINC000295105977 372691912 /nfs/dbraw/zinc/69/19/12/372691912.db2.gz UGULNQXVIVJPEA-VOTSOKGWSA-N 1 0 263.381 3.288 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CC(C)(C)c2ccccn2)cc1 ZINC000295178890 372696420 /nfs/dbraw/zinc/69/64/20/372696420.db2.gz VJDCFFAFAFZJKF-UHFFFAOYSA-N 1 0 283.419 3.215 20 10 CGCDRO COC1CCN(c2ccc(C[N@H+](C)CC(C)C)cc2)CC1 ZINC000295594775 372842135 /nfs/dbraw/zinc/84/21/35/372842135.db2.gz TXTAZFQSTHZGBY-UHFFFAOYSA-N 1 0 290.451 3.390 20 10 CGCDRO CC(=O)c1ccccc1OCC[N@@H+](C)Cc1ccccc1O ZINC000171937306 372859246 /nfs/dbraw/zinc/85/92/46/372859246.db2.gz CLJMORVWDRGICQ-UHFFFAOYSA-N 1 0 299.370 3.106 20 10 CGCDRO COc1ccc(CC[NH2+][C@@H]2CCc3cccc(O)c32)cc1 ZINC000295930981 372961310 /nfs/dbraw/zinc/96/13/10/372961310.db2.gz KGHRKUYQVMJPAK-MRXNPFEDSA-N 1 0 283.371 3.220 20 10 CGCDRO CCn1cc([C@@H](C)[NH2+][C@H](C)c2ccccc2O)cn1 ZINC000295979191 372981254 /nfs/dbraw/zinc/98/12/54/372981254.db2.gz OQDCOHLSLLMLJF-VXGBXAGGSA-N 1 0 259.353 3.020 20 10 CGCDRO CCn1cc([C@@H](C)[NH2+][C@H](C)c2cc(C)ccc2O)cn1 ZINC000295951436 372971239 /nfs/dbraw/zinc/97/12/39/372971239.db2.gz MGRQNNTWQGGTQZ-CHWSQXEVSA-N 1 0 273.380 3.329 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]CCOc1ccccc1F)CC2 ZINC000295960049 372975148 /nfs/dbraw/zinc/97/51/48/372975148.db2.gz LZOLDDDVGTVDSS-AWEZNQCLSA-N 1 0 287.334 3.187 20 10 CGCDRO C[C@](O)(CC[NH2+][C@@H]1CCc2cccc(O)c21)c1ccccc1 ZINC000296342521 373095741 /nfs/dbraw/zinc/09/57/41/373095741.db2.gz HBGBVUZBZLJUQQ-APWZRJJASA-N 1 0 297.398 3.267 20 10 CGCDRO COc1ccc(F)cc1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296387316 373115873 /nfs/dbraw/zinc/11/58/73/373115873.db2.gz JOEYKLVFWRGQRO-CQSZACIVSA-N 1 0 287.334 3.317 20 10 CGCDRO CC[C@@H](CCO)C[NH2+][C@@H](C)c1ccc(N(C)CC)cc1 ZINC000166764306 261393463 /nfs/dbraw/zinc/39/34/63/261393463.db2.gz XENCHDYQXRNSTK-GJZGRUSLSA-N 1 0 278.440 3.202 20 10 CGCDRO [O-]c1c(Cl)cccc1CN1CCCC[C@@H]1c1ncc[nH]1 ZINC000179937987 373941285 /nfs/dbraw/zinc/94/12/85/373941285.db2.gz AAKINMKQPBRUEO-CYBMUJFWSA-N 1 0 291.782 3.496 20 10 CGCDRO Cc1ccc(C[N@H+](CCO)Cc2cccc(C)c2O)cc1 ZINC000180845073 374050493 /nfs/dbraw/zinc/05/04/93/374050493.db2.gz ANSGJLOPTLTURW-UHFFFAOYSA-N 1 0 285.387 3.004 20 10 CGCDRO Cc1cccc(C[N@@H+](C)[C@H](C)c2ccccn2)c1O ZINC000182064789 374212573 /nfs/dbraw/zinc/21/25/73/374212573.db2.gz IYZFJEVDWWPZKG-CYBMUJFWSA-N 1 0 256.349 3.289 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCCCCCO)cc1 ZINC000182143968 374225263 /nfs/dbraw/zinc/22/52/63/374225263.db2.gz UGVARSTTXHDXCD-HNNXBMFYSA-N 1 0 278.440 3.346 20 10 CGCDRO CC[S@](=O)[C@H]1CCC[C@H]([NH2+][C@@H](C)c2ccccc2O)C1 ZINC000183545857 374427040 /nfs/dbraw/zinc/42/70/40/374427040.db2.gz MARLRKHLIAMPGT-FTIRYDQDSA-N 1 0 295.448 3.123 20 10 CGCDRO Cc1cc(C[NH2+][C@@H](C)c2cc(Cl)ccc2O)on1 ZINC000185357060 374646185 /nfs/dbraw/zinc/64/61/85/374646185.db2.gz NLDCTERQNZWJCS-VIFPVBQESA-N 1 0 266.728 3.193 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CCCOC1)c1cc2c(cc1O)CCCC2 ZINC000185387012 374654536 /nfs/dbraw/zinc/65/45/36/374654536.db2.gz FZKZUDKRKDCRMK-DOMZBBRYSA-N 1 0 275.392 3.101 20 10 CGCDRO COCC1=CC[N@H+](Cc2cc(Cl)cc(C)c2O)CC1 ZINC000187620312 375057045 /nfs/dbraw/zinc/05/70/45/375057045.db2.gz AMWJKKNBSPZCHL-UHFFFAOYSA-N 1 0 281.783 3.133 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2CCO)cc1 ZINC000189967095 375463904 /nfs/dbraw/zinc/46/39/04/375463904.db2.gz FQTKRHXVJHGYDY-SJLPKXTDSA-N 1 0 290.451 3.174 20 10 CGCDRO C[C@H](CCO)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000268913500 378151428 /nfs/dbraw/zinc/15/14/28/378151428.db2.gz GYKKTFQBHGYJMK-CVEARBPZSA-N 1 0 290.451 3.346 20 10 CGCDRO OCC1([NH2+]Cc2cc(-c3ccccc3)ccc2O)CCC1 ZINC000268988098 378167796 /nfs/dbraw/zinc/16/77/96/378167796.db2.gz URWZDIPGUYMYOF-UHFFFAOYSA-N 1 0 283.371 3.064 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCO[C@@H](C(C)C)C2)cc1C ZINC000271498665 378494977 /nfs/dbraw/zinc/49/49/77/378494977.db2.gz KFVITIMFLPEOHI-NVXWUHKLSA-N 1 0 277.408 3.302 20 10 CGCDRO CC(C)(C)OC1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000272328416 378614406 /nfs/dbraw/zinc/61/44/06/378614406.db2.gz VSBXXKMSCJMHBN-UHFFFAOYSA-N 1 0 281.371 3.311 20 10 CGCDRO Cc1nccn1CC[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000273620108 378757340 /nfs/dbraw/zinc/75/73/40/378757340.db2.gz YUJQZAXYBZIWNB-CYBMUJFWSA-N 1 0 299.418 3.127 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H](O)CCc1ccccc1)c1ccccc1O ZINC000273316335 378742472 /nfs/dbraw/zinc/74/24/72/378742472.db2.gz OJIHZUMYUMEPSY-SJLPKXTDSA-N 1 0 299.414 3.427 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCCc2nccs2)c(O)c1 ZINC000273463179 378747399 /nfs/dbraw/zinc/74/73/99/378747399.db2.gz ILOGYBPUOQZUKE-GFCCVEGCSA-N 1 0 276.405 3.441 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CC2([C@H](O)C(C)C)CC2)c(O)c1 ZINC000273481222 378750405 /nfs/dbraw/zinc/75/04/05/378750405.db2.gz MDKRATYOVNEDCK-XJKSGUPXSA-N 1 0 277.408 3.148 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCO[C@@H](C)C2)c(O)c1C ZINC000273505271 378750417 /nfs/dbraw/zinc/75/04/17/378750417.db2.gz QYDHENJTLAJIFJ-QEJZJMRPSA-N 1 0 277.408 3.475 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCOC3(CCC3)C2)c(O)c1 ZINC000273502139 378750448 /nfs/dbraw/zinc/75/04/48/378750448.db2.gz QJGVEWSLVTWJNZ-UONOGXRCSA-N 1 0 275.392 3.453 20 10 CGCDRO C[C@H](CO)CCC[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000273485475 378750740 /nfs/dbraw/zinc/75/07/40/378750740.db2.gz NCGHPINSOASKLD-QWRGUYRKSA-N 1 0 271.788 3.105 20 10 CGCDRO CSC[C@@H](C)[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000273577871 378754816 /nfs/dbraw/zinc/75/48/16/378754816.db2.gz MBGSJKSEITUUEP-ZYHUDNBSSA-N 1 0 253.411 3.411 20 10 CGCDRO Cc1ncsc1CC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000275040480 378929214 /nfs/dbraw/zinc/92/92/14/378929214.db2.gz XUXNGLAKHPRNEL-LBPRGKRZSA-N 1 0 289.448 3.411 20 10 CGCDRO C[N@H+](Cc1cnc(C(C)(C)C)nc1)Cc1ccccc1O ZINC000284321176 380138846 /nfs/dbraw/zinc/13/88/46/380138846.db2.gz KBVFXOHHCWRQAI-UHFFFAOYSA-N 1 0 285.391 3.112 20 10 CGCDRO CCOCCCC[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000283919548 380105301 /nfs/dbraw/zinc/10/53/01/380105301.db2.gz DOYILOIIYKWDKI-AWEZNQCLSA-N 1 0 265.397 3.476 20 10 CGCDRO Cc1ccnc([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2)c1 ZINC000285625703 380151123 /nfs/dbraw/zinc/15/11/23/380151123.db2.gz KZZXWNZITDCMPJ-AWEZNQCLSA-N 1 0 269.392 3.307 20 10 CGCDRO COc1cccc(C[N@@H+]2CC3(CCC3)C[C@@H]2C)c1O ZINC000365440867 382287321 /nfs/dbraw/zinc/28/73/21/382287321.db2.gz DZAZKORJEHOWLV-LBPRGKRZSA-N 1 0 261.365 3.165 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCc3nc(C)ncc3C2)c1 ZINC000363855683 382258582 /nfs/dbraw/zinc/25/85/82/382258582.db2.gz AWYJWOCZUIAQNO-SWLSCSKDSA-N 1 0 297.402 3.007 20 10 CGCDRO Cc1ncc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)s1 ZINC000040997734 391984925 /nfs/dbraw/zinc/98/49/25/391984925.db2.gz BDZWWMXFFHGKNY-LLVKDONJSA-N 1 0 275.421 3.368 20 10 CGCDRO C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000105447714 392288952 /nfs/dbraw/zinc/28/89/52/392288952.db2.gz KPQYZVUPDAPYAV-AWEZNQCLSA-N 1 0 284.403 3.179 20 10 CGCDRO COc1ccc(C[N@H+](C)Cc2ccccc2O)cc1F ZINC000109771928 392372716 /nfs/dbraw/zinc/37/27/16/392372716.db2.gz AHNSIFHDKVGOJJ-UHFFFAOYSA-N 1 0 275.323 3.172 20 10 CGCDRO CSC[C@@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000131542555 392457247 /nfs/dbraw/zinc/45/72/47/392457247.db2.gz WGFNNHPQOHNNCL-NEPJUHHUSA-N 1 0 252.427 3.155 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccnc(OC)c1)c1ccc(N(C)C)cc1 ZINC000131709524 392458343 /nfs/dbraw/zinc/45/83/43/392458343.db2.gz PASLPRJLFLBCLA-QGZVFWFLSA-N 1 0 299.418 3.397 20 10 CGCDRO CCOc1cccc(C[NH+]2Cc3ccccc3C2)c1O ZINC000133785755 392465332 /nfs/dbraw/zinc/46/53/32/392465332.db2.gz MUAMABRJPLFYJQ-UHFFFAOYSA-N 1 0 269.344 3.307 20 10 CGCDRO C[C@H]([NH2+]Cc1cnn(C)c1)c1ccc(N2CCCCC2)cc1 ZINC000178512129 392680749 /nfs/dbraw/zinc/68/07/49/392680749.db2.gz HAMCYKLHJQYQDG-HNNXBMFYSA-N 1 0 298.434 3.261 20 10 CGCDRO OCCC[N@H+](Cc1ccccc1O)[C@@H]1CCc2ccccc21 ZINC000179575004 392704904 /nfs/dbraw/zinc/70/49/04/392704904.db2.gz BMBDRSGCVXPZBB-GOSISDBHSA-N 1 0 297.398 3.264 20 10 CGCDRO C=Cn1cc(C[N@@H+](CCC)Cc2ccccc2O)cn1 ZINC000193824152 392886469 /nfs/dbraw/zinc/88/64/69/392886469.db2.gz JUGUYTJXUBMKDL-UHFFFAOYSA-N 1 0 271.364 3.101 20 10 CGCDRO [O-]c1c(F)cccc1C[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000361070499 393665007 /nfs/dbraw/zinc/66/50/07/393665007.db2.gz WYEQLEKLOCLQFQ-OAHLLOKOSA-N 1 0 287.334 3.185 20 10 CGCDRO Cc1nccnc1[C@H](C)[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000187897917 397662718 /nfs/dbraw/zinc/66/27/18/397662718.db2.gz JGNDLYRRYKVMMK-AWEZNQCLSA-N 1 0 296.418 3.018 20 10 CGCDRO CC[C@H]([NH2+]C[C@H](c1ccco1)N(C)C)c1ccccc1O ZINC000020122323 171002978 /nfs/dbraw/zinc/00/29/78/171002978.db2.gz PKOKBKGICJFULS-LSDHHAIUSA-N 1 0 288.391 3.329 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2ccccn2)c1 ZINC000020123494 171004590 /nfs/dbraw/zinc/00/45/90/171004590.db2.gz LLHCDLOJCIZHDC-NWDGAFQWSA-N 1 0 272.348 3.208 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C2CCN(C(C)C)CC2)c(O)c1 ZINC000020189456 171055897 /nfs/dbraw/zinc/05/58/97/171055897.db2.gz UFBUPOHMIFZPMV-CQSZACIVSA-N 1 0 276.424 3.224 20 10 CGCDRO Oc1ccc(-c2ccccc2)cc1C[NH+]1CCC(O)CC1 ZINC000020534160 171240714 /nfs/dbraw/zinc/24/07/14/171240714.db2.gz WXAUKVFLTISUER-UHFFFAOYSA-N 1 0 283.371 3.016 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](O)c1ccccc1)c1ccccc1O ZINC000035601243 172289687 /nfs/dbraw/zinc/28/96/87/172289687.db2.gz WLIYDZFQBWULKV-DOTOQJQBSA-N 1 0 271.360 3.167 20 10 CGCDRO C[C@@H]([NH2+]CCc1ccco1)c1ccc(N(C)C)cc1 ZINC000037258978 173068914 /nfs/dbraw/zinc/06/89/14/173068914.db2.gz CUQIJOFLXBRVCJ-CYBMUJFWSA-N 1 0 258.365 3.239 20 10 CGCDRO FC(F)COCC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000190902286 225145174 /nfs/dbraw/zinc/14/51/74/225145174.db2.gz MFMVQHGOGREEND-UHFFFAOYSA-N 1 0 298.377 3.048 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000037771513 260116397 /nfs/dbraw/zinc/11/63/97/260116397.db2.gz RMPPPIJGAQXXIX-ZDUSSCGKSA-N 1 0 283.371 3.481 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C1CCOCC1 ZINC000126137247 260345852 /nfs/dbraw/zinc/34/58/52/260345852.db2.gz UTWNTCOGWZONBY-UONOGXRCSA-N 1 0 276.424 3.218 20 10 CGCDRO C[C@@H]([NH2+][C@H](CO)Cc1ccccc1)c1ccc(N(C)C)cc1 ZINC000130368892 260395792 /nfs/dbraw/zinc/39/57/92/260395792.db2.gz ZOGCRDHKRRVTTH-QAPCUYQASA-N 1 0 298.430 3.007 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)CCO)c1ccc(N2CCCCC2)c(F)c1 ZINC000151920460 261057280 /nfs/dbraw/zinc/05/72/80/261057280.db2.gz VNKAGAXUKGDKAE-UONOGXRCSA-N 1 0 294.414 3.238 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(N2CCCC2)nc1)c1ccccc1O ZINC000154022418 261086827 /nfs/dbraw/zinc/08/68/27/261086827.db2.gz VGOPXMWCZQBJQO-AWEZNQCLSA-N 1 0 297.402 3.238 20 10 CGCDRO Cc1cc(O)c(C[N@H+](C)CCc2nccs2)cc1C ZINC000157150575 261141601 /nfs/dbraw/zinc/14/16/01/261141601.db2.gz ZUTWKBABZAICAX-UHFFFAOYSA-N 1 0 276.405 3.140 20 10 CGCDRO C[C@H]([NH2+][C@@H](C)C1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000160116564 261205191 /nfs/dbraw/zinc/20/51/91/261205191.db2.gz GGPAWYHRWKJJIX-STQMWFEESA-N 1 0 292.398 3.111 20 10 CGCDRO Cc1c([C@@H](C)[NH2+][C@@H](C)c2cc(Cl)ccc2O)cnn1C ZINC000185001743 262036904 /nfs/dbraw/zinc/03/69/04/262036904.db2.gz CWOJLBSJIFATIF-VHSXEESVSA-N 1 0 293.798 3.499 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)c2ccccc2F)c1 ZINC000185095548 262041327 /nfs/dbraw/zinc/04/13/27/262041327.db2.gz SIPRUWMICNMUQS-SJCJKPOMSA-N 1 0 289.350 3.224 20 10 CGCDRO Cc1nccn1C[C@H](C)C[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000185346820 262051469 /nfs/dbraw/zinc/05/14/69/262051469.db2.gz MTEYCLOJJHGKKZ-KGLIPLIRSA-N 1 0 287.407 3.192 20 10 CGCDRO Cc1nn(C)cc1[C@H](C)[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000185349391 262051628 /nfs/dbraw/zinc/05/16/28/262051628.db2.gz WPVWMGDVUAQJDV-RYUDHWBXSA-N 1 0 273.380 3.154 20 10 CGCDRO CCCC[C@@H](COC)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000185494555 262057172 /nfs/dbraw/zinc/05/71/72/262057172.db2.gz ODKUKVLAPOBUMX-STQMWFEESA-N 1 0 281.396 3.257 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@]2(C)CCCC[C@@H]2O)c1 ZINC000185643991 262063731 /nfs/dbraw/zinc/06/37/31/262063731.db2.gz YWJGGXOTRFUAGW-COXVUDFISA-N 1 0 277.408 3.292 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCC[C@H]3OCC[C@@H]32)c1 ZINC000185771899 262069763 /nfs/dbraw/zinc/06/97/63/262069763.db2.gz HDADHRVGFRBFOZ-GKLJAUDBSA-N 1 0 275.392 3.309 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCc2ccccn2)c1 ZINC000186140679 262082112 /nfs/dbraw/zinc/08/21/12/262082112.db2.gz ONSYPOJUCJDQEW-ZDUSSCGKSA-N 1 0 286.375 3.079 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@]2(O)CCc3ccccc32)c(O)c1 ZINC000186165877 262082699 /nfs/dbraw/zinc/08/26/99/262082699.db2.gz PIANXGWHCWFHQY-IFXJQAMLSA-N 1 0 297.398 3.185 20 10 CGCDRO CC(C)O[C@H]1C[C@H]([NH2+]Cc2ccccc2O)C1(C)C ZINC000274286323 263022592 /nfs/dbraw/zinc/02/25/92/263022592.db2.gz LEZTVHSOPDTTEG-GJZGRUSLSA-N 1 0 263.381 3.074 20 10 CGCDRO COC1(CC[NH2+]Cc2cc(C)c(C)cc2O)CCC1 ZINC000293056451 263137749 /nfs/dbraw/zinc/13/77/49/263137749.db2.gz UJMAWJCCUHFWAS-UHFFFAOYSA-N 1 0 263.381 3.058 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H](OC)C2CC2)cc1 ZINC000293866421 263151048 /nfs/dbraw/zinc/15/10/48/263151048.db2.gz ZJCXEGGKIZXBSX-DYVFJYSZSA-N 1 0 276.424 3.218 20 10 CGCDRO COc1cccc(C[NH2+][C@@H](c2ccccn2)C2CCC2)c1O ZINC000527773788 270135405 /nfs/dbraw/zinc/13/54/05/270135405.db2.gz QXDDRSLTBOJVFA-QGZVFWFLSA-N 1 0 298.386 3.427 20 10 CGCDRO C[C@H]([NH2+][C@@H]1COc2cc(F)cc(F)c21)c1ccccc1O ZINC000368212320 267152881 /nfs/dbraw/zinc/15/28/81/267152881.db2.gz MPNXHFGSNOEYDK-TVQRCGJNSA-N 1 0 291.297 3.455 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2CCc3c[nH]nc3C2)cc1 ZINC000370663794 267336483 /nfs/dbraw/zinc/33/64/83/267336483.db2.gz YMSOFUDXGSLAIW-CJNGLKHVSA-N 1 0 298.434 3.074 20 10 CGCDRO Cc1cccc(C[N@@H+]2CC[C@H](c3ccco3)C2)c1O ZINC000373224561 267651534 /nfs/dbraw/zinc/65/15/34/267651534.db2.gz VXQRNVZWRMULCD-ZDUSSCGKSA-N 1 0 257.333 3.283 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)cc1 ZINC000377245839 268060162 /nfs/dbraw/zinc/06/01/62/268060162.db2.gz OYRMQUDHPRVVPA-SFHVURJKSA-N 1 0 295.430 3.212 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1O)c1ccc(N(C)C)cc1 ZINC000268802334 278377910 /nfs/dbraw/zinc/37/79/10/278377910.db2.gz BMCHVTFAQBPGQF-ZNZDAUKMSA-N 1 0 296.414 3.062 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@@H]1CCCSC1)CC2 ZINC000297396094 280454430 /nfs/dbraw/zinc/45/44/30/280454430.db2.gz SCMOPBOXFDVWHW-AAEUAGOBSA-N 1 0 263.406 3.112 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCN2CCCC[C@@H]12)c1cc(Cl)ccc1O ZINC000273394038 290018726 /nfs/dbraw/zinc/01/87/26/290018726.db2.gz LOBQPZHYMOICDF-GLQYFDAESA-N 1 0 294.826 3.323 20 10 CGCDRO Cc1ncc([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2)c(C)n1 ZINC000160537853 327664258 /nfs/dbraw/zinc/66/42/58/327664258.db2.gz VQSBYIIYVGMDDP-LBPRGKRZSA-N 1 0 284.407 3.010 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCCOC1)c1cc2c(cc1O)CCCC2 ZINC000185386985 327839444 /nfs/dbraw/zinc/83/94/44/327839444.db2.gz FZKZUDKRKDCRMK-IUODEOHRSA-N 1 0 275.392 3.101 20 10 CGCDRO CCc1nnc(C[NH2+][C@@H](CC)c2ccccc2O)s1 ZINC000273116852 327852603 /nfs/dbraw/zinc/85/26/03/327852603.db2.gz HAGIGGOZTGYADO-NSHDSACASA-N 1 0 277.393 3.047 20 10 CGCDRO Cc1nc(CC[NH2+][C@H](C)c2ccccc2O)cs1 ZINC000223660388 327936794 /nfs/dbraw/zinc/93/67/94/327936794.db2.gz GTTBTGKKDWHLRR-SNVBAGLBSA-N 1 0 262.378 3.050 20 10 CGCDRO CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C)c(C)cc1O ZINC000091892501 327187056 /nfs/dbraw/zinc/18/70/56/327187056.db2.gz QMVLVZCIJXLTQA-SJORKVTESA-N 1 0 288.435 3.068 20 10 CGCDRO COc1cccc(C[N@H+](C)CCc2ccc(F)cc2)c1O ZINC000092162073 327189007 /nfs/dbraw/zinc/18/90/07/327189007.db2.gz UIXRKPUEQUCZPB-UHFFFAOYSA-N 1 0 289.350 3.214 20 10 CGCDRO COc1cccc(C[NH+]2CCC(OCC(C)C)CC2)c1O ZINC000092223266 327190350 /nfs/dbraw/zinc/19/03/50/327190350.db2.gz PRHVHVWBGTVOHZ-UHFFFAOYSA-N 1 0 293.407 3.038 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](C)CCCO)cc1 ZINC000294754931 327560056 /nfs/dbraw/zinc/56/00/56/327560056.db2.gz IPJGCUZEMVMPQI-HNNXBMFYSA-N 1 0 278.440 3.031 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c1 ZINC000377835312 329030957 /nfs/dbraw/zinc/03/09/57/329030957.db2.gz SKFGOSHKAYMXNQ-CVEARBPZSA-N 1 0 289.419 3.339 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](c3ccco3)C2)c1 ZINC000378346177 329046956 /nfs/dbraw/zinc/04/69/56/329046956.db2.gz PNTLHEHVVGFQEP-CYBMUJFWSA-N 1 0 257.333 3.283 20 10 CGCDRO COc1ccc(N2CCC([NH2+]CCCSC)CC2)cc1 ZINC000132503429 329647171 /nfs/dbraw/zinc/64/71/71/329647171.db2.gz KLJQNZIZAULKQT-UHFFFAOYSA-N 1 0 294.464 3.007 20 10 CGCDRO CCn1nncc1C[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000527921137 330295760 /nfs/dbraw/zinc/29/57/60/330295760.db2.gz VFZYBYGODLLMQS-GFCCVEGCSA-N 1 0 296.374 3.008 20 10 CGCDRO CCO[C@@]1(C)C[C@H]1[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000527983917 330298495 /nfs/dbraw/zinc/29/84/95/330298495.db2.gz YAWUNRJEGIGSBS-REEMIGECSA-N 1 0 279.355 3.237 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CC2(C)CCOCC2)c(O)c1 ZINC000230668297 333320387 /nfs/dbraw/zinc/32/03/87/333320387.db2.gz GKDMOKJMPYRIBX-CYBMUJFWSA-N 1 0 263.381 3.168 20 10 CGCDRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]Cc2ccccc2O)o1 ZINC000134226756 334084672 /nfs/dbraw/zinc/08/46/72/334084672.db2.gz UYLNOMGFNHRNDL-RISCZKNCSA-N 1 0 257.333 3.398 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@H](C)c2ncc(C)s2)c1 ZINC000135782979 334138837 /nfs/dbraw/zinc/13/88/37/334138837.db2.gz VWVIKHQEKXMQSJ-SNVBAGLBSA-N 1 0 278.377 3.017 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)CCCCO)cc1 ZINC000272337363 334751765 /nfs/dbraw/zinc/75/17/65/334751765.db2.gz XSTGRYLSJSNGPK-HNNXBMFYSA-N 1 0 278.440 3.174 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)[C@H]2CCCCO2)c1 ZINC000273460515 334765965 /nfs/dbraw/zinc/76/59/65/334765965.db2.gz IBQOZGUKZZQMLU-HEHGZKQESA-N 1 0 263.381 3.309 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+][C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)c1O ZINC000529670048 518187280 /nfs/dbraw/zinc/18/72/80/518187280.db2.gz QCCPGKTYUAJJQZ-MIJXAVMKSA-N 1 0 283.799 3.256 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H]2CCOC[C@H]2C)cc1 ZINC000286939390 520287230 /nfs/dbraw/zinc/28/72/30/520287230.db2.gz BBURBQYVWNXVCC-VYDXJSESSA-N 1 0 290.451 3.466 20 10 CGCDRO CCCOc1ccc(C[NH2+]C[C@H]2CCSC2)c(O)c1 ZINC000279854116 520368189 /nfs/dbraw/zinc/36/81/89/520368189.db2.gz DPWPJNWCLJRARE-GFCCVEGCSA-N 1 0 281.421 3.024 20 10 CGCDRO CCCCN(C)C[C@H](C)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000289820178 520417346 /nfs/dbraw/zinc/41/73/46/520417346.db2.gz OYLMHUSBDIDCCX-KBPBESRZSA-N 1 0 294.439 3.172 20 10 CGCDRO CCC[C@H](CCO)C[NH2+][C@@H](CC)c1ccccc1O ZINC000156138814 521094919 /nfs/dbraw/zinc/09/49/19/521094919.db2.gz FPIYPCRXNBWVEI-HIFRSBDPSA-N 1 0 265.397 3.232 20 10 CGCDRO CCCN(CC)C[C@@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000290299924 521611291 /nfs/dbraw/zinc/61/12/91/521611291.db2.gz YRKOTEMBSKPCNS-ZIAGYGMSSA-N 1 0 264.413 3.163 20 10 CGCDRO CCOCCC1(C[NH2+]Cc2c(O)cccc2Cl)CC1 ZINC000126564972 521691036 /nfs/dbraw/zinc/69/10/36/521691036.db2.gz UDOHUQFAXWJUAE-UHFFFAOYSA-N 1 0 283.799 3.342 20 10 CGCDRO CC[C@H](C)[C@H](C[NH2+][C@@H](C)c1cc(OC)ccc1O)OC ZINC000294227898 521941798 /nfs/dbraw/zinc/94/17/98/521941798.db2.gz NZUXHUZPFAIGEO-MKBNYLNASA-N 1 0 281.396 3.113 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)cc1 ZINC000290389050 522210931 /nfs/dbraw/zinc/21/09/31/522210931.db2.gz ISAOQRZOUCHKQB-CEXWTWQISA-N 1 0 278.399 3.181 20 10 CGCDRO CC[C@H]([NH2+]CCNc1ccccn1)c1ccc(C)cc1O ZINC000280014844 522592973 /nfs/dbraw/zinc/59/29/73/522592973.db2.gz GZANEYFIPXZEII-HNNXBMFYSA-N 1 0 285.391 3.248 20 10 CGCDRO CC[C@H]([NH2+]CCOC(C)C)c1ccc(C)cc1O ZINC000280144505 522593648 /nfs/dbraw/zinc/59/36/48/522593648.db2.gz PUJCYVBCORRECZ-AWEZNQCLSA-N 1 0 251.370 3.166 20 10 CGCDRO CC[C@H]([NH2+]CCc1nnc(C)s1)c1ccc(C)cc1O ZINC000289652434 522603680 /nfs/dbraw/zinc/60/36/80/522603680.db2.gz GHIKXSFBLXZGAE-ZDUSSCGKSA-N 1 0 291.420 3.144 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H]1CCCOC1)c1ccc(C)cc1O ZINC000280203797 522618225 /nfs/dbraw/zinc/61/82/25/522618225.db2.gz SXWCWFJQDHLJNB-ZFWWWQNUSA-N 1 0 263.381 3.168 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H](CC)CCO)c1ccc(C)cc1O ZINC000279974146 522848368 /nfs/dbraw/zinc/84/83/68/522848368.db2.gz DFNXFXTYNYCAPR-DZGCQCFKSA-N 1 0 265.397 3.150 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccn(C)c1)c1ccc(C)cc1O ZINC000280132111 522886500 /nfs/dbraw/zinc/88/65/00/522886500.db2.gz OYZDXTSQMFMVIW-OAHLLOKOSA-N 1 0 258.365 3.280 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](CO)c1ccccc1)c1ccccc1O ZINC000062999195 522920957 /nfs/dbraw/zinc/92/09/57/522920957.db2.gz HHUXVHHVTSCTCT-CVEARBPZSA-N 1 0 271.360 3.167 20 10 CGCDRO COCc1cccc(C[NH2+]Cc2c(O)cccc2Cl)c1 ZINC000083551933 523052416 /nfs/dbraw/zinc/05/24/16/523052416.db2.gz XSZOOOCONWDNOR-UHFFFAOYSA-N 1 0 291.778 3.482 20 10 CGCDRO C[N@H+](Cc1ccccc1)Cc1ccc(N2CCOCC2)cc1 ZINC000071004392 523347667 /nfs/dbraw/zinc/34/76/67/523347667.db2.gz CGTNAWOMPLNMQN-UHFFFAOYSA-N 1 0 296.414 3.155 20 10 CGCDRO Cc1cccc(C[NH2+][C@@](C)(CO)C2CCCCC2)c1O ZINC000271850066 524437602 /nfs/dbraw/zinc/43/76/02/524437602.db2.gz STKSHDHWUYVNRW-KRWDZBQOSA-N 1 0 277.408 3.122 20 10 CGCDRO C[C@H](CO)[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000275069097 524565961 /nfs/dbraw/zinc/56/59/61/524565961.db2.gz YTWGQFOHZBHDCQ-RHSMWYFYSA-N 1 0 285.387 3.037 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCC(F)(F)C2)c1 ZINC000281080589 524763371 /nfs/dbraw/zinc/76/33/71/524763371.db2.gz JGYSDOFJOVKRBI-MNOVXSKESA-N 1 0 285.334 3.487 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCc2ccsc2)c1 ZINC000049152663 524768745 /nfs/dbraw/zinc/76/87/45/524768745.db2.gz JLECUYCGTDNLRR-NSHDSACASA-N 1 0 277.389 3.356 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2[C@H]3Cc4ccccc4[C@@H]23)cc1C ZINC000290512534 525322065 /nfs/dbraw/zinc/32/20/65/525322065.db2.gz PPAWKBGMQLYCMI-QXAKKESOSA-N 1 0 279.383 3.437 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]C[C@@H](O)c2ccc(Cl)cc2)c1 ZINC000291676222 525350260 /nfs/dbraw/zinc/35/02/60/525350260.db2.gz HDAVNGNRSYUIRM-MRXNPFEDSA-N 1 0 291.778 3.177 20 10 CGCDRO C[C@H]([NH2+]C[C@H](O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000037257317 525407888 /nfs/dbraw/zinc/40/78/88/525407888.db2.gz FDLRUDVQIADEPV-KSSFIOAISA-N 1 0 284.403 3.137 20 10 CGCDRO C[C@@H](O)CCC[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000228030978 525758990 /nfs/dbraw/zinc/75/89/90/525758990.db2.gz FLPBVPAYIUXGAI-OLZOCXBDSA-N 1 0 273.376 3.357 20 10 CGCDRO Cc1ncc(C[NH2+]Cc2ccc3c(c2)CCCN3C)s1 ZINC000050266783 527274389 /nfs/dbraw/zinc/27/43/89/527274389.db2.gz FYQXNJVWDYVHNV-UHFFFAOYSA-N 1 0 287.432 3.124 20 10 CGCDRO OCCC[C@H]([NH2+][C@H]1CCc2cccc(O)c21)c1ccccc1 ZINC000297760201 527545418 /nfs/dbraw/zinc/54/54/18/527545418.db2.gz OTSRLVZDGTWFEI-IRXDYDNUSA-N 1 0 297.398 3.483 20 10 CGCDRO CC[C@@H]1CCC[N@@H+]1Cc1c(O)ccc2ccncc21 ZINC000727824426 571771721 /nfs/dbraw/zinc/77/17/21/571771721.db2.gz PFCBZRNTHKCSKQ-CYBMUJFWSA-N 1 0 256.349 3.315 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](n3ccnc3)C2)cc1C ZINC000738150666 572365349 /nfs/dbraw/zinc/36/53/49/572365349.db2.gz XHQSCXSIQSKPGI-MRXNPFEDSA-N 1 0 285.391 3.043 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000725852958 572445311 /nfs/dbraw/zinc/44/53/11/572445311.db2.gz LYSSQDITJPQLCT-UHFFFAOYSA-N 1 0 289.762 3.270 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]C(C)(C)C(C)C)c1 ZINC000732229600 572454004 /nfs/dbraw/zinc/45/40/04/572454004.db2.gz NLKKVQOTXYVCHR-UHFFFAOYSA-N 1 0 251.370 3.315 20 10 CGCDRO CCOc1ccc(C[NH2+]Cc2cc(C)ccc2O)cc1 ZINC000733325309 572556448 /nfs/dbraw/zinc/55/64/48/572556448.db2.gz CNCLNLZIBMVCAX-UHFFFAOYSA-N 1 0 271.360 3.389 20 10 CGCDRO CC1(C)[C@@H]2C[N@@H+](Cc3c(O)ccc4ccncc43)C[C@@H]21 ZINC000742167211 572556673 /nfs/dbraw/zinc/55/66/73/572556673.db2.gz VVRZJMTZUIOPRO-GASCZTMLSA-N 1 0 268.360 3.028 20 10 CGCDRO COC[C@H]1CC[N@H+](Cc2cc(C)cc(C(C)(C)C)c2O)C1 ZINC000739873832 572595629 /nfs/dbraw/zinc/59/56/29/572595629.db2.gz JKPDTYCEVXZPRW-AWEZNQCLSA-N 1 0 291.435 3.466 20 10 CGCDRO CC[C@H](C[C@@H](C)CO)[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC000743499963 572666937 /nfs/dbraw/zinc/66/69/37/572666937.db2.gz RIOPLRPOFQTKHK-NVXWUHKLSA-N 1 0 292.467 3.420 20 10 CGCDRO COC1CCC(C[NH2+]Cc2cc(C)c(C)cc2O)CC1 ZINC000749922199 573058936 /nfs/dbraw/zinc/05/89/36/573058936.db2.gz AAMMAYZFJXIMGD-UHFFFAOYSA-N 1 0 277.408 3.304 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]CC2CCC(OC)CC2)c1 ZINC000749922722 573059022 /nfs/dbraw/zinc/05/90/22/573059022.db2.gz MWSZTQAAJQSUJJ-UHFFFAOYSA-N 1 0 293.407 3.086 20 10 CGCDRO Cc1cnc(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)cn1 ZINC000750282912 573107597 /nfs/dbraw/zinc/10/75/97/573107597.db2.gz APCXIEPQBZTNJE-UHFFFAOYSA-N 1 0 296.418 3.016 20 10 CGCDRO CC(C)C[C@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000307770523 618077797 /nfs/dbraw/zinc/07/77/97/618077797.db2.gz FWKWUBRHKXYYKD-GFCCVEGCSA-N 1 0 251.345 3.399 20 10 CGCDRO CC[C@H]1CC[C@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000806135878 617950986 /nfs/dbraw/zinc/95/09/86/617950986.db2.gz PDLKNUUFGFZKJZ-GXTWGEPZSA-N 1 0 250.361 3.170 20 10 CGCDRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000187575605 618099291 /nfs/dbraw/zinc/09/92/91/618099291.db2.gz HRVCZHHCSBRBMN-CRAIPNDOSA-N 1 0 288.435 3.144 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]CCCc1nccs1 ZINC000076892939 618130202 /nfs/dbraw/zinc/13/02/02/618130202.db2.gz JHBSKPHMSOWUIK-UHFFFAOYSA-N 1 0 282.796 3.225 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H](C)CCOC)cc1 ZINC000840836954 618165189 /nfs/dbraw/zinc/16/51/89/618165189.db2.gz LTROFJJMYFNTMR-HUUCEWRRSA-N 1 0 278.440 3.466 20 10 CGCDRO COc1ccc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)c(O)c1OC ZINC000891802423 618307080 /nfs/dbraw/zinc/30/70/80/618307080.db2.gz CAYMYKNFBNYONX-JSGCOSHPSA-N 1 0 291.391 3.174 20 10 CGCDRO COc1ccc(C[N@@H+]2CCC[C@H](C)CC2)c(O)c1OC ZINC000891822240 618318625 /nfs/dbraw/zinc/31/86/25/618318625.db2.gz UMWNFXJGDIFXNW-LBPRGKRZSA-N 1 0 279.380 3.031 20 10 CGCDRO COc1ccc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C)c(O)c1OC ZINC000891861543 618345922 /nfs/dbraw/zinc/34/59/22/618345922.db2.gz HKJAXZBAUWQEPH-NEPJUHHUSA-N 1 0 279.380 3.030 20 10 CGCDRO COc1ccc(C[NH+]2CCC(C)(C)CC2)c(O)c1OC ZINC000891911507 618379122 /nfs/dbraw/zinc/37/91/22/618379122.db2.gz VVWGMXDGEXCYHP-UHFFFAOYSA-N 1 0 279.380 3.031 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]C2CC3(CCC3)C2)c1O ZINC000829307892 618702249 /nfs/dbraw/zinc/70/22/49/618702249.db2.gz FRAXPTONIKRHKM-UHFFFAOYSA-N 1 0 281.783 3.477 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@H](C)O[C@H]2C)c(O)c1C ZINC000840871901 618733371 /nfs/dbraw/zinc/73/33/71/618733371.db2.gz HQISXMDMGSRLHC-MXAVVETBSA-N 1 0 277.408 3.473 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCN2CCCC[C@@H]2C)c1 ZINC000185027969 625291169 /nfs/dbraw/zinc/29/11/69/625291169.db2.gz JUETUUBMYQVBJJ-GJZGRUSLSA-N 1 0 276.424 3.226 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CCSC)cc1F ZINC000152029342 618810176 /nfs/dbraw/zinc/81/01/76/618810176.db2.gz BNNRFHCDXYZGJK-UHFFFAOYSA-N 1 0 270.417 3.125 20 10 CGCDRO Cc1cc(Br)cc(C[N@H+]2CC[C@H](C)C2)c1O ZINC000162816313 618883250 /nfs/dbraw/zinc/88/32/50/618883250.db2.gz ATPHXFCIQWFCIF-VIFPVBQESA-N 1 0 284.197 3.305 20 10 CGCDRO COc1ccc(C[NH2+][C@H](C)C2CCCC2)c(O)c1OC ZINC000892969832 618967536 /nfs/dbraw/zinc/96/75/36/618967536.db2.gz WEXPFYBROIHOFF-LLVKDONJSA-N 1 0 279.380 3.078 20 10 CGCDRO Oc1ccccc1C[NH2+]C[C@H]1CSc2ccccc21 ZINC000228413773 619044537 /nfs/dbraw/zinc/04/45/37/619044537.db2.gz KQGFYILMLNCOEA-ZDUSSCGKSA-N 1 0 271.385 3.371 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2c(C)noc2C)c1 ZINC000092326815 619053071 /nfs/dbraw/zinc/05/30/71/619053071.db2.gz FSMBPJCCYWQGNM-ZJUUUORDSA-N 1 0 290.363 3.417 20 10 CGCDRO Cc1cc(Cl)cc(C[N@H+]2C[C@@H](C)OC(C)(C)C2)c1O ZINC000775663001 619083848 /nfs/dbraw/zinc/08/38/48/619083848.db2.gz YJPOREMLKKWWHP-LLVKDONJSA-N 1 0 283.799 3.353 20 10 CGCDRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000185196903 625319451 /nfs/dbraw/zinc/31/94/51/625319451.db2.gz UYBOTPKEEVLJAG-AEFFLSMTSA-N 1 0 289.419 3.305 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2c(O)cccc2Cl)nc1C ZINC000313969953 619206371 /nfs/dbraw/zinc/20/63/71/619206371.db2.gz TXUDZKQRCLGERP-UHFFFAOYSA-N 1 0 276.767 3.347 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2COc3ccccc3C2)c(O)c1 ZINC000185224462 619222419 /nfs/dbraw/zinc/22/24/19/619222419.db2.gz GCZSZPPKHWWZCV-ZFWWWQNUSA-N 1 0 283.371 3.355 20 10 CGCDRO CN(C)C1(C[NH2+][C@@H]2CCc3cccc(O)c32)CCCCC1 ZINC000314445884 619229689 /nfs/dbraw/zinc/22/96/89/619229689.db2.gz CYHZKJULZZAOPN-OAHLLOKOSA-N 1 0 288.435 3.234 20 10 CGCDRO CC(C)(C[NH2+]Cc1c(O)cccc1Cl)OCC1CC1 ZINC000840960464 619279302 /nfs/dbraw/zinc/27/93/02/619279302.db2.gz NPVQRPURISEVGJ-UHFFFAOYSA-N 1 0 283.799 3.340 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+]C[C@@H]2C[C@@H](C)O[C@H]2C)c1O ZINC000840964740 619284784 /nfs/dbraw/zinc/28/47/84/619284784.db2.gz VUYCFZBPWLRVOS-WOPDTQHZSA-N 1 0 283.799 3.257 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@]2(C)CCCO2)cc1 ZINC000094797017 619287950 /nfs/dbraw/zinc/28/79/50/619287950.db2.gz CQMSVRDCGNLGSL-KRWDZBQOSA-N 1 0 276.424 3.192 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H](O)C1CCCCC1)c1ccc(N(C)C)cc1 ZINC000163104582 619310101 /nfs/dbraw/zinc/31/01/01/619310101.db2.gz SRUHJXOOLBJRDJ-RDTXWAMCSA-N 1 0 290.451 3.344 20 10 CGCDRO COc1cc(C)cc(C[NH2+]CCc2cccs2)c1O ZINC000894148061 619393646 /nfs/dbraw/zinc/39/36/46/619393646.db2.gz RJPIUZXUWFPSCA-UHFFFAOYSA-N 1 0 277.389 3.103 20 10 CGCDRO CC[N@@H+](Cc1ccc(OC)c(OC)c1O)CC1CCC1 ZINC000894176446 619406210 /nfs/dbraw/zinc/40/62/10/619406210.db2.gz MUPCESRFKSXHNB-UHFFFAOYSA-N 1 0 279.380 3.031 20 10 CGCDRO CCOCCC1(C[NH2+]Cc2cc(C)cc(OC)c2O)CC1 ZINC000894356329 619501820 /nfs/dbraw/zinc/50/18/20/619501820.db2.gz INFSRBYWOYPDLZ-UHFFFAOYSA-N 1 0 293.407 3.006 20 10 CGCDRO COc1cc(C)cc(C[N@H+](C)[C@H](C)c2ccccn2)c1O ZINC000894423092 619530095 /nfs/dbraw/zinc/53/00/95/619530095.db2.gz OLOORSIWNAJRBM-CYBMUJFWSA-N 1 0 286.375 3.297 20 10 CGCDRO COc1cc(C)cc(C[NH2+]CCC[C@@H]2CCCCO2)c1O ZINC000894468013 619546341 /nfs/dbraw/zinc/54/63/41/619546341.db2.gz JYOUINXASVPFRK-HNNXBMFYSA-N 1 0 293.407 3.148 20 10 CGCDRO CCN1CCCC[C@H]1C[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000185418024 625356785 /nfs/dbraw/zinc/35/67/85/625356785.db2.gz CSPAAOTYDHYLGZ-GJZGRUSLSA-N 1 0 276.424 3.226 20 10 CGCDRO COc1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)c(O)c1OC ZINC000894721857 619613841 /nfs/dbraw/zinc/61/38/41/619613841.db2.gz GCTPDMVYBAAMRH-BETUJISGSA-N 1 0 291.391 3.031 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CC3(CCC3)[C@H]2C2CC2)c1O ZINC000894793371 619640771 /nfs/dbraw/zinc/64/07/71/619640771.db2.gz FDWQWVJEJQSGSB-QGZVFWFLSA-N 1 0 287.403 3.474 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](C2CC2)C2CCC2)c(O)c1OC ZINC000894811578 619641125 /nfs/dbraw/zinc/64/11/25/619641125.db2.gz OKEVUBYDGHWLLF-OAHLLOKOSA-N 1 0 291.391 3.078 20 10 CGCDRO COc1ccc(C[NH2+][C@]2(C)CCCC[C@H]2C)c(O)c1OC ZINC000894811409 619641529 /nfs/dbraw/zinc/64/15/29/619641529.db2.gz UPKBNIALOBMHLI-SJKOYZFVSA-N 1 0 293.407 3.468 20 10 CGCDRO COc1cc(C)cc(C[NH2+]C[C@@H]2CCOC(C)(C)C2)c1O ZINC000894966079 619687957 /nfs/dbraw/zinc/68/79/57/619687957.db2.gz IMMXQDMLFFXIJK-CYBMUJFWSA-N 1 0 293.407 3.004 20 10 CGCDRO C[C@H]([NH2+]CCOCC(F)F)c1ccc2ccccc2c1O ZINC000188768330 619704376 /nfs/dbraw/zinc/70/43/76/619704376.db2.gz AJKNGNUQYLURTB-NSHDSACASA-N 1 0 295.329 3.478 20 10 CGCDRO COCC1CC[NH+](Cc2cc3c(cc2O)CCCC3)CC1 ZINC000160187319 619714253 /nfs/dbraw/zinc/71/42/53/619714253.db2.gz BCJZCDCWFJINSK-UHFFFAOYSA-N 1 0 289.419 3.129 20 10 CGCDRO CCSC1(C[NH2+]Cc2cc(C)cc(OC)c2O)CC1 ZINC000895327591 619806325 /nfs/dbraw/zinc/80/63/25/619806325.db2.gz OFVJHEPPOPPEBE-UHFFFAOYSA-N 1 0 281.421 3.085 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCc2ccns2)cc1Cl ZINC000895529794 619842688 /nfs/dbraw/zinc/84/26/88/619842688.db2.gz VYCOQYIVSHVMNJ-UHFFFAOYSA-N 1 0 282.796 3.143 20 10 CGCDRO Cc1cccc(C[NH2+]CC(C)(C)CC(F)F)c1O ZINC000895535828 619844040 /nfs/dbraw/zinc/84/40/40/619844040.db2.gz ZKTBVIWECNUNCV-UHFFFAOYSA-N 1 0 257.324 3.472 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](CF)C2)c(Cl)c1 ZINC000895574371 619852144 /nfs/dbraw/zinc/85/21/44/619852144.db2.gz WFWQVDOGIWIKFV-SNVBAGLBSA-N 1 0 257.736 3.145 20 10 CGCDRO Cc1cccc(C[NH+]2CCC3(CCCCO3)CC2)c1O ZINC000895654588 619864562 /nfs/dbraw/zinc/86/45/62/619864562.db2.gz VBBKSGJXDPUAIU-UHFFFAOYSA-N 1 0 275.392 3.236 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cc(C)cc(OC)c1O)[C@H]1CCCOC1 ZINC000895663748 619866612 /nfs/dbraw/zinc/86/66/12/619866612.db2.gz MWVFKUNCMMXRNS-DZGCQCFKSA-N 1 0 293.407 3.004 20 10 CGCDRO CC1([NH+]2CCC2)CCN(Cc2c(O)cccc2Cl)CC1 ZINC000895672463 619869976 /nfs/dbraw/zinc/86/99/76/619869976.db2.gz ZGCYNNZAQLFWEL-UHFFFAOYSA-N 1 0 294.826 3.106 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CCCC[C@@H](C2CCOCC2)C1 ZINC000895718173 619874645 /nfs/dbraw/zinc/87/46/45/619874645.db2.gz VFYCOBRQEIQTBM-MRXNPFEDSA-N 1 0 289.419 3.421 20 10 CGCDRO C[C@@H]1Cc2cc(C[N@@H+]3Cc4cccc(O)c4C3)ccc2O1 ZINC000895784808 619885391 /nfs/dbraw/zinc/88/53/91/619885391.db2.gz MUHOUXJXRGWEET-GFCCVEGCSA-N 1 0 281.355 3.231 20 10 CGCDRO CCOc1cccc(C[NH2+][C@H]2C[C@@](C)(OC)C2(C)C)c1O ZINC000072926487 625380527 /nfs/dbraw/zinc/38/05/27/625380527.db2.gz LIVRYJWHXVMXHR-WMLDXEAASA-N 1 0 293.407 3.084 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC000896232043 619971664 /nfs/dbraw/zinc/97/16/64/619971664.db2.gz VNZFHCMGVBYZHE-HNAYVOBHSA-N 1 0 295.382 3.174 20 10 CGCDRO Cc1ccc(CN[C@@H]2c3ccccc3OC[C@@H]2F)c(O)c1 ZINC000896423735 620007205 /nfs/dbraw/zinc/00/72/05/620007205.db2.gz KWDAPWQXDLCSGX-WMLDXEAASA-N 1 0 287.334 3.262 20 10 CGCDRO Cc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2)c1O ZINC000896794349 620064262 /nfs/dbraw/zinc/06/42/62/620064262.db2.gz MFAVTIFICYDUAV-ROUUACIJSA-N 1 0 294.398 3.164 20 10 CGCDRO CCc1cccc(C[NH2+][C@H]2CCS[C@H](C)C2)c1O ZINC000896951335 620111736 /nfs/dbraw/zinc/11/17/36/620111736.db2.gz ICMWZXFVHYFVJE-RISCZKNCSA-N 1 0 265.422 3.328 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCC[C@H](C3CCOCC3)C2)c(O)c1 ZINC000897271966 620176160 /nfs/dbraw/zinc/17/61/60/620176160.db2.gz WCQHQCZIMIFDEK-INIZCTEOSA-N 1 0 289.419 3.339 20 10 CGCDRO CCCCOC(=O)[C@@H](C)[N@H+](CCC)Cc1ccccc1O ZINC000303956517 620196349 /nfs/dbraw/zinc/19/63/49/620196349.db2.gz XOCFQVDPEOFXLP-CQSZACIVSA-N 1 0 293.407 3.336 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)c1cc2n(n1)CCC2 ZINC000840724138 620217944 /nfs/dbraw/zinc/21/79/44/620217944.db2.gz UJTTXIUGKJJDNW-AWEZNQCLSA-N 1 0 298.434 3.055 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCS[C@H]1C)c1ccc(N(C)C)cc1 ZINC000310757386 620238937 /nfs/dbraw/zinc/23/89/37/620238937.db2.gz ADTNCIKGTCGSJS-HUBLWGQQSA-N 1 0 264.438 3.297 20 10 CGCDRO Cc1nn(C)cc1[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841746192 620352276 /nfs/dbraw/zinc/35/22/76/620352276.db2.gz CXEHJCGYPKGZSG-NXEZZACHSA-N 1 0 293.798 3.499 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CC[C@@H]1CCCC[C@@H]1O ZINC000897536295 620379917 /nfs/dbraw/zinc/37/99/17/620379917.db2.gz GXGBRQACDXQVLY-YJBOKZPZSA-N 1 0 290.451 3.092 20 10 CGCDRO CCOc1cccc(C[NH2+][C@H](C)c2cncs2)c1O ZINC000897934852 620452370 /nfs/dbraw/zinc/45/23/70/620452370.db2.gz QIPBIEVKSKEZGG-SNVBAGLBSA-N 1 0 278.377 3.098 20 10 CGCDRO Oc1cc2c(cc1C[NH2+]CC[C@@H]1CCC(F)(F)C1)OCO2 ZINC000898019456 620467620 /nfs/dbraw/zinc/46/76/20/620467620.db2.gz MRFJXXNYIGRLHH-JTQLQIEISA-N 1 0 299.317 3.036 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@@H]2CC=CC[C@H]2C)c1O ZINC000898223072 620498470 /nfs/dbraw/zinc/49/84/70/620498470.db2.gz NHAKMOUTWRRBNE-TZMCWYRMSA-N 1 0 261.365 3.154 20 10 CGCDRO C[C@]12CSC[C@H]1C[N@H+](Cc1c(O)cccc1Cl)C2 ZINC000898422627 620586317 /nfs/dbraw/zinc/58/63/17/620586317.db2.gz LHNKKNYRCIQBSM-YGRLFVJLSA-N 1 0 283.824 3.231 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C2([C@H]3CCCCO3)CC2)c1 ZINC000927160708 620613318 /nfs/dbraw/zinc/61/33/18/620613318.db2.gz MRIPOEODFAGXAZ-XJKSGUPXSA-N 1 0 275.392 3.453 20 10 CGCDRO CC[C@H]([NH2+]Cc1csc(N)n1)c1cc(Cl)ccc1O ZINC000902499291 621345930 /nfs/dbraw/zinc/34/59/30/621345930.db2.gz MQSOAFHVHBFXTA-NSHDSACASA-N 1 0 297.811 3.325 20 10 CGCDRO CC(C)(C[NH2+][C@H]1CCc2cccc(O)c21)C1CCOCC1 ZINC000903243950 621636571 /nfs/dbraw/zinc/63/65/71/621636571.db2.gz LCYIYSZFVNRGEK-HNNXBMFYSA-N 1 0 289.419 3.422 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCO[C@H]2C2CC2)c(O)c1 ZINC000903261441 621647244 /nfs/dbraw/zinc/64/72/44/621647244.db2.gz VTYZQFXBCMCVEO-QEORTHHSSA-N 1 0 275.392 3.227 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2C[C@@H]3CCC[C@H]23)c1O ZINC000903318919 621673861 /nfs/dbraw/zinc/67/38/61/621673861.db2.gz SNCNZHOQKQKRIZ-AUZPSNTRSA-N 1 0 261.365 3.240 20 10 CGCDRO Nc1ccc(NC(=O)c2ccc(C[NH+]3CCCCC3)o2)cc1 ZINC000911661243 622541397 /nfs/dbraw/zinc/54/13/97/622541397.db2.gz RRXQJJDOZDGUAZ-UHFFFAOYSA-N 1 0 299.374 3.100 20 10 CGCDRO CC[C@H]([NH2+]CCc1ccccn1)c1ccc(N(C)C)cc1 ZINC000151412616 622779365 /nfs/dbraw/zinc/77/93/65/622779365.db2.gz AOGNQIQTYRXIAB-SFHVURJKSA-N 1 0 283.419 3.431 20 10 CGCDRO C[C@H]([NH2+][C@H]1COc2ccccc2C1)c1ccc(N(C)C)cc1 ZINC000164308057 622828221 /nfs/dbraw/zinc/82/82/21/622828221.db2.gz FHKXMHWYVFHKNC-WMLDXEAASA-N 1 0 296.414 3.407 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)c1ccncc1 ZINC000156663285 622833016 /nfs/dbraw/zinc/83/30/16/622833016.db2.gz YYZUGNQYYCUNFJ-CQSZACIVSA-N 1 0 269.392 3.307 20 10 CGCDRO CN(C)c1ccc(C[NH+](C)Cc2ccc(N(C)C)cc2)cc1 ZINC000165229229 622856741 /nfs/dbraw/zinc/85/67/41/622856741.db2.gz OUQQOMUDRBBMTM-UHFFFAOYSA-N 1 0 297.446 3.451 20 10 CGCDRO Oc1ccccc1C[NH2+]Cc1ccc(F)cc1Cl ZINC000083482934 625603795 /nfs/dbraw/zinc/60/37/95/625603795.db2.gz FQLZTYYTOWXAMQ-UHFFFAOYSA-N 1 0 265.715 3.475 20 10 CGCDRO C[C@@H]([NH2+]CC1(O)CCC1)c1ccc2ccccc2c1O ZINC000168763251 623014408 /nfs/dbraw/zinc/01/44/08/623014408.db2.gz YHCPKEZMOPOOST-GFCCVEGCSA-N 1 0 271.360 3.111 20 10 CGCDRO CC[C@H](CCO)[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000168795132 623015415 /nfs/dbraw/zinc/01/54/15/623015415.db2.gz DZFTWMOQTNULBP-TZMCWYRMSA-N 1 0 273.376 3.357 20 10 CGCDRO C[C@H](Cc1cccc(F)c1)[NH2+]Cc1ccccc1O ZINC000227529550 623021571 /nfs/dbraw/zinc/02/15/71/623021571.db2.gz WMSJSNDXCNBYSD-GFCCVEGCSA-N 1 0 259.324 3.252 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]C[C@@H]1CCCS1 ZINC000087473212 623079532 /nfs/dbraw/zinc/07/95/32/623079532.db2.gz SGPQUQNJVHWZFE-NSHDSACASA-N 1 0 257.786 3.031 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-])[C@H](C)[NH3+] ZINC000817977229 625627640 /nfs/dbraw/zinc/62/76/40/625627640.db2.gz FDEAEZPUFJFNKN-RNJXMRFFSA-N 1 0 277.195 3.085 20 10 CGCDRO CCOc1cccc(C[NH2+]C[C@@H]2CC[C@@H](C)C2)c1O ZINC000230412939 623239774 /nfs/dbraw/zinc/23/97/74/623239774.db2.gz ABERSQSBRFZJLI-CHWSQXEVSA-N 1 0 263.381 3.317 20 10 CGCDRO C[C@@H]([NH2+]CCN1CCCCCC1)c1ccc(F)cc1[O-] ZINC000062748035 623266736 /nfs/dbraw/zinc/26/67/36/623266736.db2.gz VGPPWRSPOSVMET-CYBMUJFWSA-N 1 0 280.387 3.058 20 10 CGCDRO CC(C)(C[NH2+]Cc1cc2c(cc1O)OCO2)c1ccccc1 ZINC000063255998 623309226 /nfs/dbraw/zinc/30/92/26/623309226.db2.gz DPARLTPZMQYDFZ-UHFFFAOYSA-N 1 0 299.370 3.188 20 10 CGCDRO CCCC(O)(CCC)C[NH2+]Cc1cc(C)c(C)cc1O ZINC000174416678 623390193 /nfs/dbraw/zinc/39/01/93/623390193.db2.gz DPISZCGTFFMPQR-UHFFFAOYSA-N 1 0 279.424 3.430 20 10 CGCDRO CCOc1cccc(C[NH2+]CC(C2CC2)C2CC2)c1O ZINC000088455729 623453987 /nfs/dbraw/zinc/45/39/87/623453987.db2.gz NBKPWPAGUNVCGG-UHFFFAOYSA-N 1 0 275.392 3.317 20 10 CGCDRO CCOC1(C)CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000311826785 623466245 /nfs/dbraw/zinc/46/62/45/623466245.db2.gz OJGQYRBVEMAVOH-UHFFFAOYSA-N 1 0 283.799 3.437 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCCC[C@@H]2O)cc1F ZINC000152237587 623634335 /nfs/dbraw/zinc/63/43/35/623634335.db2.gz RSDURTCOERCZMS-RDJZCZTQSA-N 1 0 294.414 3.065 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](CC)COC)c1ccc(N(C)C)cc1 ZINC000152926754 623736339 /nfs/dbraw/zinc/73/63/39/623736339.db2.gz AKXAIBFZSVBDDM-GOEBONIOSA-N 1 0 264.413 3.218 20 10 CGCDRO COCC[N@@H+](Cc1c(O)ccc2ccncc21)CC(C)C ZINC000914783817 623860385 /nfs/dbraw/zinc/86/03/85/623860385.db2.gz PWBQXNHSCGDBHU-UHFFFAOYSA-N 1 0 288.391 3.045 20 10 CGCDRO CSCC[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000917074329 624232726 /nfs/dbraw/zinc/23/27/26/624232726.db2.gz YCCPXVZGAIYFCY-UHFFFAOYSA-N 1 0 264.438 3.080 20 10 CGCDRO CCc1cc(C[N@H+](C)CCOC)c(O)c(C(C)(C)C)c1 ZINC000921048928 624564844 /nfs/dbraw/zinc/56/48/44/624564844.db2.gz YCWRETXMIUKNQN-UHFFFAOYSA-N 1 0 279.424 3.330 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H]2CCCC[C@H]2C)c1O ZINC000019945351 634403363 /nfs/dbraw/zinc/40/33/63/634403363.db2.gz DWUCGZQRGNIRJZ-TZMCWYRMSA-N 1 0 263.381 3.459 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)c2c[nH]nc2C)cc1 ZINC000180161776 624724485 /nfs/dbraw/zinc/72/44/85/624724485.db2.gz HHWJSVGLIANALJ-CYBMUJFWSA-N 1 0 286.423 3.415 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](CC(C)C)C2)c1 ZINC000180199756 624726171 /nfs/dbraw/zinc/72/61/71/624726171.db2.gz RNZRORVZNMTLBF-ZDUSSCGKSA-N 1 0 263.381 3.269 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCOC3(CCCCC3)C2)c1O ZINC000180457921 624751597 /nfs/dbraw/zinc/75/15/97/624751597.db2.gz DLTQPTMTHOFSNC-UHFFFAOYSA-N 1 0 275.392 3.236 20 10 CGCDRO COc1cc(Cl)cc(C[N@H+](C)C2CCCC2)c1O ZINC000184676075 625262013 /nfs/dbraw/zinc/26/20/13/625262013.db2.gz IRNGIWQLXDVPCZ-UHFFFAOYSA-N 1 0 269.772 3.429 20 10 CGCDRO Oc1cccc2c1CC[C@@H]2[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921692832 625845175 /nfs/dbraw/zinc/84/51/75/625845175.db2.gz GABPYCRCULMTIS-KRWDZBQOSA-N 1 0 295.382 3.494 20 10 CGCDRO c1cc2c(cc1C[NH2+]CC1CCSCC1)CCCO2 ZINC000921736712 625857336 /nfs/dbraw/zinc/85/73/36/625857336.db2.gz JTKPQRRKSSZVGE-UHFFFAOYSA-N 1 0 277.433 3.244 20 10 CGCDRO c1cc2c(cc1C[NH2+][C@H]1CCO[C@H](C3CC3)C1)CCCO2 ZINC000922002157 625958643 /nfs/dbraw/zinc/95/86/43/625958643.db2.gz VWQZQBKIMATLSM-WMZOPIPTSA-N 1 0 287.403 3.059 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H](CCO)c2ccco2)c(O)c1 ZINC000186520148 625985629 /nfs/dbraw/zinc/98/56/29/625985629.db2.gz VQMYQBJAGRIDBU-GXTWGEPZSA-N 1 0 275.348 3.068 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000922731687 626039989 /nfs/dbraw/zinc/03/99/89/626039989.db2.gz HAIIZDPNHFRGAA-OIBJUYFYSA-N 1 0 279.689 3.334 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCS[C@@H](C)C2)c1 ZINC000922841065 626055139 /nfs/dbraw/zinc/05/51/39/626055139.db2.gz DWWLCBFZNDOGIF-AAEUAGOBSA-N 1 0 281.421 3.165 20 10 CGCDRO CCOc1ccc(C[NH2+][C@H]2CCS[C@H](C)C2)c(O)c1 ZINC000922841840 626055648 /nfs/dbraw/zinc/05/56/48/626055648.db2.gz JHPDQUBVQSHVRA-YPMHNXCESA-N 1 0 281.421 3.165 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@]2(C)CCOC2)c(O)c1C ZINC000756575857 626099323 /nfs/dbraw/zinc/09/93/23/626099323.db2.gz QQNJSOVNHWGXPT-XJKSGUPXSA-N 1 0 263.381 3.086 20 10 CGCDRO CC[C@H]([NH2+][C@H]1C[C@@H](OC(C)C)C1)c1ccccc1O ZINC000839147562 626317117 /nfs/dbraw/zinc/31/71/17/626317117.db2.gz NBRUTWAHBPCKBJ-GUTXKFCHSA-N 1 0 263.381 3.389 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCCC[C@H]2C2(O)CC2)cc1 ZINC000839144177 626323612 /nfs/dbraw/zinc/32/36/12/626323612.db2.gz SGPMXCFHLKKVRS-KRWDZBQOSA-N 1 0 288.435 3.022 20 10 CGCDRO CCOc1ccc(C[N@H+](C)C2CC(C)(C)C2)c(O)c1 ZINC000839185725 626327609 /nfs/dbraw/zinc/32/76/09/626327609.db2.gz YFVSOFPCNXZORS-UHFFFAOYSA-N 1 0 263.381 3.411 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCSC(C)(C)CC2)cc1 ZINC000789340179 626362114 /nfs/dbraw/zinc/36/21/14/626362114.db2.gz KAMNUBIZPPSLEZ-UHFFFAOYSA-N 1 0 278.465 3.470 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2c(O)ccc3ccncc32)[C@H]1C ZINC000751945173 626412666 /nfs/dbraw/zinc/41/26/66/626412666.db2.gz YHIGYJPDTDKMRN-NEPJUHHUSA-N 1 0 256.349 3.171 20 10 CGCDRO C[C@@H](Cc1ccoc1)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000754047252 626473109 /nfs/dbraw/zinc/47/31/09/626473109.db2.gz QRQOCNSDNPANDM-ZDUSSCGKSA-N 1 0 258.365 3.066 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)c1 ZINC000754738792 626585821 /nfs/dbraw/zinc/58/58/21/626585821.db2.gz GCSXQBKDJJTFPO-HOCLYGCPSA-N 1 0 275.392 3.010 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2cn3ccccc3n2)c1 ZINC000756359773 626696236 /nfs/dbraw/zinc/69/62/36/626696236.db2.gz BVGKDMGECBDXLE-ZDUSSCGKSA-N 1 0 281.359 3.199 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCCO2)c2c1c(F)ccc2O ZINC000756457816 626706668 /nfs/dbraw/zinc/70/66/68/626706668.db2.gz UULSBQYMSCAOIJ-NTZNESFSSA-N 1 0 279.355 3.238 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCN(CC2CC2)C1)c1cc(Cl)ccc1O ZINC000756554028 626714594 /nfs/dbraw/zinc/71/45/94/626714594.db2.gz NQDAXOFIEFSDBD-SMDDNHRTSA-N 1 0 294.826 3.181 20 10 CGCDRO CCC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000756579461 626717493 /nfs/dbraw/zinc/71/74/93/626717493.db2.gz ZIZDDWPXZLNLIJ-XJKSGUPXSA-N 1 0 265.397 3.211 20 10 CGCDRO Cc1cc(C[NH2+][C@H](C)c2ccc3ccccc3c2O)[nH]n1 ZINC000756586672 626718474 /nfs/dbraw/zinc/71/84/74/626718474.db2.gz VGHYRCCIJCNRGN-GFCCVEGCSA-N 1 0 281.359 3.428 20 10 CGCDRO CC[C@H]([NH2+]CCCSc1nccs1)c1ccn(C)n1 ZINC000756585867 626718605 /nfs/dbraw/zinc/71/86/05/626718605.db2.gz NWESBXKAUHKTMX-NSHDSACASA-N 1 0 296.465 3.100 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[C@@H](O)C2)c(O)c1C ZINC000756603265 626719842 /nfs/dbraw/zinc/71/98/42/626719842.db2.gz AARZULRVKGZILE-SOUVJXGZSA-N 1 0 277.408 3.211 20 10 CGCDRO CC[C@@H]([NH2+][C@H](C)c1cc(F)ccc1O)C1CCOCC1 ZINC000756627365 626721290 /nfs/dbraw/zinc/72/12/90/626721290.db2.gz HPMPOTCCWQZOET-IAQYHMDHSA-N 1 0 281.371 3.387 20 10 CGCDRO C[C@@H]([NH2+]CCN1CC[C@@H](C)C1)c1cc(Cl)ccc1O ZINC000756628377 626722247 /nfs/dbraw/zinc/72/22/47/626722247.db2.gz LUQZOAVVWDNJAF-VXGBXAGGSA-N 1 0 282.815 3.038 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](C)Cc2ccncc2)c1 ZINC000756636351 626722737 /nfs/dbraw/zinc/72/27/37/626722737.db2.gz WYOHRCOYGLJGBL-ZIAGYGMSSA-N 1 0 270.376 3.377 20 10 CGCDRO C[C@H](Cc1ccncc1)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000756636191 626722894 /nfs/dbraw/zinc/72/28/94/626722894.db2.gz VLWWJEJKZDVUGF-NEPJUHHUSA-N 1 0 274.339 3.208 20 10 CGCDRO Cc1ccccc1[C@@H](CO)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000756636998 626722924 /nfs/dbraw/zinc/72/29/24/626722924.db2.gz KVYHPGOGNDGAEJ-MLGOLLRUSA-N 1 0 289.350 3.224 20 10 CGCDRO CCCN(CC)CC[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756638872 626723361 /nfs/dbraw/zinc/72/33/61/626723361.db2.gz WJHVWEOHSLNPTN-TZMCWYRMSA-N 1 0 294.414 3.401 20 10 CGCDRO CC[C@H](CCO)C[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756646381 626724201 /nfs/dbraw/zinc/72/42/01/626724201.db2.gz MSHVZUFPITZICH-LOWVWBTDSA-N 1 0 281.371 3.078 20 10 CGCDRO C[C@H]1C[C@@H]([NH2+]CC(C)(C)CCCO)c2c1c(F)ccc2O ZINC000756665430 626725961 /nfs/dbraw/zinc/72/59/61/626725961.db2.gz WKBFIPDTVIGQCA-WCQYABFASA-N 1 0 295.398 3.468 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCSC2)c2c1c(F)ccc2O ZINC000756733452 626728514 /nfs/dbraw/zinc/72/85/14/626728514.db2.gz RGRCWOYGHNIXRT-FXPVBKGRSA-N 1 0 267.369 3.175 20 10 CGCDRO C[C@H]([NH2+]Cc1cccc(F)n1)c1cc(Cl)ccc1O ZINC000756768246 626730599 /nfs/dbraw/zinc/73/05/99/626730599.db2.gz KYSDQYJVNVKSSG-VIFPVBQESA-N 1 0 280.730 3.431 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2ccc[nH]2)c1 ZINC000756786197 626732100 /nfs/dbraw/zinc/73/21/00/626732100.db2.gz YQIIKZCAJWGFKW-MNOVXSKESA-N 1 0 260.337 3.141 20 10 CGCDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@@H](C)c2cc(C)ccc2O)C1(C)C ZINC000756788134 626732577 /nfs/dbraw/zinc/73/25/77/626732577.db2.gz BDPQSCFNNXKKEP-NOXHYTERSA-N 1 0 277.408 3.411 20 10 CGCDRO C[C@@H]([NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)[C@H]1CCCOC1 ZINC000757637898 626796361 /nfs/dbraw/zinc/79/63/61/626796361.db2.gz OQARFLQGCOPVOG-NMKXLXIOSA-N 1 0 293.382 3.484 20 10 CGCDRO Cc1ccc(CN(C)c2ccc(OCC[NH+](C)C)cc2)o1 ZINC000761223822 627027131 /nfs/dbraw/zinc/02/71/31/627027131.db2.gz RPFVAZCJEXPSPJ-UHFFFAOYSA-N 1 0 288.391 3.165 20 10 CGCDRO CCCN(CC[NH+](CC)CC)Cc1cc(F)ccc1O ZINC000764677560 627217896 /nfs/dbraw/zinc/21/78/96/627217896.db2.gz LBGHPFYWEMAHCX-UHFFFAOYSA-N 1 0 282.403 3.085 20 10 CGCDRO Cc1cc(CC[NH2+][C@@H]2CCCOC2)c(C)n1-c1ccccc1 ZINC000764718005 627220131 /nfs/dbraw/zinc/22/01/31/627220131.db2.gz SQDKGFUKCDEQCQ-GOSISDBHSA-N 1 0 298.430 3.405 20 10 CGCDRO CC[C@@H]([NH2+]CCN(CC)C1CC1)c1ccc(N(C)C)cc1 ZINC000765623417 627263796 /nfs/dbraw/zinc/26/37/96/627263796.db2.gz ASEHVARIJDLAMW-GOSISDBHSA-N 1 0 289.467 3.278 20 10 CGCDRO CC[C@@H]([NH2+]C[C@]1(C)CCOC1)c1ccc(N(C)C)cc1 ZINC000765961251 627282579 /nfs/dbraw/zinc/28/25/79/627282579.db2.gz ZEIHMEZSWLGCPE-SJORKVTESA-N 1 0 276.424 3.220 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H](COC)C(C)C)cc1 ZINC000766163492 627300320 /nfs/dbraw/zinc/30/03/20/627300320.db2.gz UUSWCQKIGCMKHN-WMLDXEAASA-N 1 0 278.440 3.464 20 10 CGCDRO CC1(C)CCCN(CC[NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000767736453 627433510 /nfs/dbraw/zinc/43/35/10/627433510.db2.gz GDRNVMZASTYMQJ-UHFFFAOYSA-N 1 0 296.842 3.257 20 10 CGCDRO CC[N@@H+](Cc1ccc(N(C)C)c(F)c1)CC(C)C ZINC000768334246 627473595 /nfs/dbraw/zinc/47/35/95/627473595.db2.gz CBUSCVIRNYMMMV-UHFFFAOYSA-N 1 0 252.377 3.370 20 10 CGCDRO CCCC[NH+](CCCC)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768438555 627479741 /nfs/dbraw/zinc/47/97/41/627479741.db2.gz BQHPNWWTBOAJDJ-MRXNPFEDSA-N 1 0 293.407 3.220 20 10 CGCDRO CCC1(C)CC[NH+](Cc2cc(OC)c(OC)cc2O)CC1 ZINC000768444758 627480726 /nfs/dbraw/zinc/48/07/26/627480726.db2.gz ODOPOAVIPAMHSM-UHFFFAOYSA-N 1 0 293.407 3.422 20 10 CGCDRO COc1ccc2c(c1)C[N@@H+](Cc1ccc(N(C)C)cc1)CC2 ZINC000769119556 627524118 /nfs/dbraw/zinc/52/41/18/627524118.db2.gz CFENIYPEVOERNM-UHFFFAOYSA-N 1 0 296.414 3.320 20 10 CGCDRO Cc1ccc(O)c(CN2CCC[N@@H+](C(C)(C)C)CC2)c1 ZINC000769189877 627530328 /nfs/dbraw/zinc/53/03/28/627530328.db2.gz WCWNMLQXEHOQOY-UHFFFAOYSA-N 1 0 276.424 3.007 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CC(C)(C)OCC2(C)C)cc1 ZINC000769447804 627553464 /nfs/dbraw/zinc/55/34/64/627553464.db2.gz ZQQIULDWWLEFLD-UHFFFAOYSA-N 1 0 276.424 3.142 20 10 CGCDRO CCOc1ccc(C[NH+]2CCC(C(F)F)CC2)c(O)c1 ZINC000769447159 627553751 /nfs/dbraw/zinc/55/37/51/627553751.db2.gz UAILMPGVARARJF-UHFFFAOYSA-N 1 0 285.334 3.268 20 10 CGCDRO CCOc1ccc(C[NH+](CC2CC2)CC2CC2)c(O)c1 ZINC000769450459 627554473 /nfs/dbraw/zinc/55/44/73/627554473.db2.gz DDSCHGHVSMLMBD-UHFFFAOYSA-N 1 0 275.392 3.413 20 10 CGCDRO CO[C@@H](C)C[N@H+](Cc1ccc(N(C)C)c(F)c1)C(C)C ZINC000769476165 627558367 /nfs/dbraw/zinc/55/83/67/627558367.db2.gz WUPSVPRYEVJLEI-ZDUSSCGKSA-N 1 0 282.403 3.137 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H](CO)c2ccsc2)c(O)c1C ZINC000769983995 627594879 /nfs/dbraw/zinc/59/48/79/627594879.db2.gz CAFSFVRGGAOOGT-SWLSCSKDSA-N 1 0 291.416 3.455 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)C[C@](C)(O)c2ccccc2)cc1 ZINC000771529045 627716877 /nfs/dbraw/zinc/71/68/77/627716877.db2.gz UDIFIGMDHDVQJT-IBGZPJMESA-N 1 0 298.430 3.092 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2cc(C)ncn2)cc1 ZINC000773105477 627857213 /nfs/dbraw/zinc/85/72/13/627857213.db2.gz HIVDKRAVNYXOSP-AWEZNQCLSA-N 1 0 284.407 3.092 20 10 CGCDRO CC[C@@H](CSC)[N@H+](C)Cc1cc(OC)c(C)cc1O ZINC000773258287 627870049 /nfs/dbraw/zinc/87/00/49/627870049.db2.gz PWKBNVUIPHMGPL-ZDUSSCGKSA-N 1 0 283.437 3.283 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCO[C@](C)(CC)C2)cc1 ZINC000773887801 627925152 /nfs/dbraw/zinc/92/51/52/627925152.db2.gz HOTXECMYNDJGRG-QGZVFWFLSA-N 1 0 276.424 3.144 20 10 CGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@H](C)C[C@H]1CCOC1 ZINC000775139730 628066917 /nfs/dbraw/zinc/06/69/17/628066917.db2.gz GDCFHZWQHBZEKK-GDBMZVCRSA-N 1 0 276.424 3.177 20 10 CGCDRO CC[C@H]([NH2+][C@H](CO)c1cccc(F)c1)c1ccccc1O ZINC000775526094 628103822 /nfs/dbraw/zinc/10/38/22/628103822.db2.gz ZXHJTCXKNFNFJO-JKSUJKDBSA-N 1 0 289.350 3.306 20 10 CGCDRO Cc1cc(Cl)cc(C[N@H+]2C[C@H](C)[C@H](C)C2)c1O ZINC000775706790 628127523 /nfs/dbraw/zinc/12/75/23/628127523.db2.gz DKOBGYIAEDEYSV-PHIMTYICSA-N 1 0 253.773 3.442 20 10 CGCDRO CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(Cl)c2[O-])C[C@H]1C ZINC000775715546 628128685 /nfs/dbraw/zinc/12/86/85/628128685.db2.gz GPKOUOJLSQHUGI-OCCSQVGLSA-N 1 0 296.842 3.350 20 10 CGCDRO CCC1(CC)[C@H]([NH2+]Cc2cc(OC)ccc2O)C[C@@H]1OC ZINC000776165468 628173735 /nfs/dbraw/zinc/17/37/35/628173735.db2.gz RAXPAZSYSKYIAA-CVEARBPZSA-N 1 0 293.407 3.084 20 10 CGCDRO COc1ccc(O)c(C[NH2+]CCc2cc(C)cc(C)c2)c1 ZINC000776208397 628180907 /nfs/dbraw/zinc/18/09/07/628180907.db2.gz BVVAURSNMBJEQA-UHFFFAOYSA-N 1 0 285.387 3.350 20 10 CGCDRO COc1cc(O)c(C[NH2+][C@@H]2CC3CCC2CC3)cc1OC ZINC000776249266 628184548 /nfs/dbraw/zinc/18/45/48/628184548.db2.gz UBADBZVSRCUTMV-ORHYLEIMSA-N 1 0 291.391 3.078 20 10 CGCDRO CCc1cnccc1[C@@H](C)[NH2+]Cc1cc(OC)ccc1O ZINC000776255238 628185247 /nfs/dbraw/zinc/18/52/47/628185247.db2.gz AGZHQDYVWMTGTJ-GFCCVEGCSA-N 1 0 286.375 3.209 20 10 CGCDRO COc1ccc(O)c(C[NH2+]CC23CCC(CC2)C3)c1 ZINC000776254577 628185370 /nfs/dbraw/zinc/18/53/70/628185370.db2.gz ZYMZKHUFTKTZKK-UHFFFAOYSA-N 1 0 261.365 3.071 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@H+]2CC[C@H](C)[C@H](F)C2)c1 ZINC000777969488 628316998 /nfs/dbraw/zinc/31/69/98/628316998.db2.gz SUPPSCFTFTWVSR-SMDDNHRTSA-N 1 0 251.345 3.189 20 10 CGCDRO CC(C)[N@H+](Cc1ccccn1)Cc1ccccc1O ZINC000778999796 628382634 /nfs/dbraw/zinc/38/26/34/628382634.db2.gz JWEFDNDVZJKCLV-UHFFFAOYSA-N 1 0 256.349 3.198 20 10 CGCDRO CC[C@@H]([NH2+]CC1(CCO)CC1)c1cc(Cl)ccc1O ZINC000779086344 628387639 /nfs/dbraw/zinc/38/76/39/628387639.db2.gz VSEFRNXJNHEEGJ-CYBMUJFWSA-N 1 0 283.799 3.249 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](OCC3CC3)C2)cc1 ZINC000779188173 628393161 /nfs/dbraw/zinc/39/31/61/628393161.db2.gz HBNWWRLGRJXIQY-GOSISDBHSA-N 1 0 288.435 3.144 20 10 CGCDRO COC[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)C1CCCC1 ZINC000783233140 628691978 /nfs/dbraw/zinc/69/19/78/628691978.db2.gz ZMDHZFUPRJJVBS-MRXNPFEDSA-N 1 0 294.414 3.187 20 10 CGCDRO C[C@H]([NH2+]C[C@@H](Cc1ccccc1)N(C)C)c1ccccc1O ZINC000783490322 628717803 /nfs/dbraw/zinc/71/78/03/628717803.db2.gz JGMYWDAFZNYMBJ-DOTOQJQBSA-N 1 0 298.430 3.216 20 10 CGCDRO CC1(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)CC1 ZINC000787049054 628980385 /nfs/dbraw/zinc/98/03/85/628980385.db2.gz KWTXGWACPLGDAG-HNNXBMFYSA-N 1 0 275.392 3.173 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)[C@@]1(C)CCCO1 ZINC000788585874 629066014 /nfs/dbraw/zinc/06/60/14/629066014.db2.gz XBWAWTDLOZJWAP-RDTXWAMCSA-N 1 0 288.435 3.116 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)[C@]1(C)CCCO1 ZINC000788585872 629066188 /nfs/dbraw/zinc/06/61/88/629066188.db2.gz XBWAWTDLOZJWAP-KDOFPFPSSA-N 1 0 288.435 3.116 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCN2CCC[C@H]2C)c(O)c1 ZINC000788614629 629069829 /nfs/dbraw/zinc/06/98/29/629069829.db2.gz TUSSIMXFNYRAQD-CABCVRRESA-N 1 0 276.424 3.144 20 10 CGCDRO CCOC[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)C(C)C ZINC000788972214 629092622 /nfs/dbraw/zinc/09/26/22/629092622.db2.gz XBOBJCPJCVVZNO-OAHLLOKOSA-N 1 0 282.403 3.042 20 10 CGCDRO CCOC[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)C(C)C ZINC000788972212 629092945 /nfs/dbraw/zinc/09/29/45/629092945.db2.gz XBOBJCPJCVVZNO-HNNXBMFYSA-N 1 0 282.403 3.042 20 10 CGCDRO Cc1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2C[C@@H](C)O)c1O ZINC000790934109 629241331 /nfs/dbraw/zinc/24/13/31/629241331.db2.gz DZGPXSWPISAWPG-IUODEOHRSA-N 1 0 297.826 3.479 20 10 CGCDRO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000790934289 629242092 /nfs/dbraw/zinc/24/20/92/629242092.db2.gz JTRNMIXARRXQNA-HIFRSBDPSA-N 1 0 294.414 3.017 20 10 CGCDRO CO[C@H]1CCC[N@H+](Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000862314941 629343052 /nfs/dbraw/zinc/34/30/52/629343052.db2.gz MZNVEVVKBJFMSL-ZDUSSCGKSA-N 1 0 298.377 3.032 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CCc2cc(C)ccc2C1 ZINC000792181183 629346053 /nfs/dbraw/zinc/34/60/53/629346053.db2.gz PPVSQZWDHRAQCM-UHFFFAOYSA-N 1 0 283.371 3.268 20 10 CGCDRO CCCN(Cc1cccc2n[nH]cc21)c1ccc(C[NH3+])cc1 ZINC000862347729 629346490 /nfs/dbraw/zinc/34/64/90/629346490.db2.gz NDGMYEVCOLZBFR-UHFFFAOYSA-N 1 0 294.402 3.438 20 10 CGCDRO Cc1cc(O)c(CNc2cc[nH+]c(C)c2Cl)cc1C ZINC000792690693 629375236 /nfs/dbraw/zinc/37/52/36/629375236.db2.gz JXMAZXLBJRMQGD-UHFFFAOYSA-N 1 0 276.767 3.400 20 10 CGCDRO Cc1ccc(C(C)(C)C[NH2+]Cc2cccc(C)c2O)nc1 ZINC000862481595 629385096 /nfs/dbraw/zinc/38/50/96/629385096.db2.gz YPVRCSMDPSMOGZ-UHFFFAOYSA-N 1 0 284.403 3.471 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]C2CCC3(CCCO3)CC2)c1 ZINC000862478525 629385402 /nfs/dbraw/zinc/38/54/02/629385402.db2.gz ITTLTQQMDWUXIR-UHFFFAOYSA-N 1 0 275.392 3.282 20 10 CGCDRO CN(C)c1ccc(C[NH+]2CC(Cc3ccco3)C2)cc1 ZINC000862487784 629388484 /nfs/dbraw/zinc/38/84/84/629388484.db2.gz VXFRFFBAAAIQAD-UHFFFAOYSA-N 1 0 270.376 3.020 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](CO)CC2CCC2)cc1 ZINC000793322709 629443449 /nfs/dbraw/zinc/44/34/49/629443449.db2.gz PEVDCQRAAIWVCY-QGZVFWFLSA-N 1 0 290.451 3.174 20 10 CGCDRO CCOc1ccc(C[N@H+](CC)CC2CCC2)c(O)c1 ZINC000793352309 629446608 /nfs/dbraw/zinc/44/66/08/629446608.db2.gz KXPCRHBNEIPEQF-UHFFFAOYSA-N 1 0 263.381 3.413 20 10 CGCDRO COc1cccc(O)c1C[NH2+]CC1C(C)(C)C1(C)C ZINC000793374960 629450581 /nfs/dbraw/zinc/45/05/81/629450581.db2.gz PQCFZIOQPAJKKR-UHFFFAOYSA-N 1 0 263.381 3.173 20 10 CGCDRO COc1ccc(C[NH2+]Cc2cccc3[nH]ccc32)c(O)c1 ZINC000793387639 629453163 /nfs/dbraw/zinc/45/31/63/629453163.db2.gz JETBDBBZMWGUBV-UHFFFAOYSA-N 1 0 282.343 3.172 20 10 CGCDRO CC[N@@H+](Cc1cc(OC)c(C)cc1O)CC1CCC1 ZINC000794683673 629566251 /nfs/dbraw/zinc/56/62/51/629566251.db2.gz OZLJXIPQOJEUKC-UHFFFAOYSA-N 1 0 263.381 3.331 20 10 CGCDRO CC[C@@H]([NH2+]CCN1CC[C@@H](C)C1)c1ccc(C)cc1O ZINC000794800635 629577919 /nfs/dbraw/zinc/57/79/19/629577919.db2.gz FKOOHRUIADJLJF-GDBMZVCRSA-N 1 0 276.424 3.083 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1CCN(CC2CC2)C1)c1ccc(C)cc1O ZINC000794803636 629578851 /nfs/dbraw/zinc/57/88/51/629578851.db2.gz CDXPYMJHYGXSFJ-NVXWUHKLSA-N 1 0 288.435 3.226 20 10 CGCDRO CCCCN(C)CC[NH2+][C@H](CC)c1ccc(C)cc1O ZINC000794804419 629579147 /nfs/dbraw/zinc/57/91/47/629579147.db2.gz DVLFQEAXRIIYIP-MRXNPFEDSA-N 1 0 278.440 3.473 20 10 CGCDRO C[C@H]([NH2+]Cc1cccnc1F)c1cc(Cl)ccc1O ZINC000794835267 629585154 /nfs/dbraw/zinc/58/51/54/629585154.db2.gz KXNIYIKJTVXFLI-VIFPVBQESA-N 1 0 280.730 3.431 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H](CO)CC2CCC2)c(O)c1C ZINC000794837180 629586025 /nfs/dbraw/zinc/58/60/25/629586025.db2.gz XBIIVAWKEADKRA-HIFRSBDPSA-N 1 0 277.408 3.211 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1CC)c1cccc(Cl)c1[O-] ZINC000863543641 629603546 /nfs/dbraw/zinc/60/35/46/629603546.db2.gz UFSCHUGMPDRFAX-HZSPNIEDSA-N 1 0 282.815 3.227 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCCC[C@@H]2c2cc[nH]n2)c1 ZINC000795665612 629707087 /nfs/dbraw/zinc/70/70/87/629707087.db2.gz GCDDNCBZEPIWEY-MRXNPFEDSA-N 1 0 285.391 3.459 20 10 CGCDRO COc1cc(C[N@@H+](C)C[C@H](C)OC)c(O)c(C(C)(C)C)c1 ZINC000795752619 629713491 /nfs/dbraw/zinc/71/34/91/629713491.db2.gz UPOZGYBRTMLVQJ-LBPRGKRZSA-N 1 0 295.423 3.165 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]C[C@H]2CCOC[C@@H]2C)c2c1c(F)ccc2O ZINC000797077080 629881755 /nfs/dbraw/zinc/88/17/55/629881755.db2.gz CDTPTRBFBGTIHD-CZXHOFHRSA-N 1 0 293.382 3.342 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CCC(F)(F)C2)cc1F ZINC000797469299 629950100 /nfs/dbraw/zinc/95/01/00/629950100.db2.gz YTSAOHBYWZGZRR-LBPRGKRZSA-N 1 0 286.341 3.417 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@H]2c2cccnc2)c1O ZINC000798189990 630033139 /nfs/dbraw/zinc/03/31/39/630033139.db2.gz VPRDYJFDJROQHW-INIZCTEOSA-N 1 0 298.386 3.441 20 10 CGCDRO CSCCC[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000798965064 630130555 /nfs/dbraw/zinc/13/05/55/630130555.db2.gz XPEFYHQIIVKEIB-UHFFFAOYSA-N 1 0 270.417 3.077 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](CCO)Cc2ccccc2)c1 ZINC000799729201 630226053 /nfs/dbraw/zinc/22/60/53/630226053.db2.gz INXBJIOHLMZDMG-NVXWUHKLSA-N 1 0 299.414 3.345 20 10 CGCDRO CCCC[N@H+](CCC(=O)OC(C)C)Cc1ccccc1O ZINC000801596831 630346940 /nfs/dbraw/zinc/34/69/40/630346940.db2.gz QDTVZTFKOKCHSE-UHFFFAOYSA-N 1 0 293.407 3.336 20 10 CGCDRO CCC(CC)(CCO)[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000802656143 630403246 /nfs/dbraw/zinc/40/32/46/630403246.db2.gz KYTAEADXUJWJPT-UHFFFAOYSA-N 1 0 285.815 3.385 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)c1 ZINC000840118352 630599960 /nfs/dbraw/zinc/59/99/60/630599960.db2.gz DEZGKOUOOLPEJF-ZACQAIPSSA-N 1 0 289.419 3.134 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCN2CCCC2)c1O ZINC000808673088 630663145 /nfs/dbraw/zinc/66/31/45/630663145.db2.gz WXHMTAPEXXXSKJ-GFCCVEGCSA-N 1 0 282.815 3.100 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2(O)CCCC2)c1O ZINC000808696955 630666258 /nfs/dbraw/zinc/66/62/58/630666258.db2.gz YYOGXQLDDGLDMG-LLVKDONJSA-N 1 0 283.799 3.310 20 10 CGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cncc(OC)c1 ZINC000808709270 630667913 /nfs/dbraw/zinc/66/79/13/630667913.db2.gz WNDWJCVNJWENKV-UHFFFAOYSA-N 1 0 299.418 3.178 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H](C2CCC2)[C@H]2CCCO2)c1 ZINC000865736790 630675665 /nfs/dbraw/zinc/67/56/65/630675665.db2.gz NIUBICAYQBGCLI-SJORKVTESA-N 1 0 275.392 3.138 20 10 CGCDRO COc1cccc(C[NH2+][C@@H]2CC(C)(C)C[C@@H]2C)c1O ZINC000809740050 630796552 /nfs/dbraw/zinc/79/65/52/630796552.db2.gz KLYLGOUWWRFKQC-WCQYABFASA-N 1 0 263.381 3.315 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CC(C)=C[C@H](C)C2)c1 ZINC000810145014 630846102 /nfs/dbraw/zinc/84/61/02/630846102.db2.gz OTPVKVLQVUSLCB-JSGCOSHPSA-N 1 0 275.392 3.483 20 10 CGCDRO CC(C)N(C)C[C@H](C)[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000810244203 630857544 /nfs/dbraw/zinc/85/75/44/630857544.db2.gz AZXFUFFQUGYMGE-NWDGAFQWSA-N 1 0 284.831 3.425 20 10 CGCDRO CCCCN(C)C[C@@H](C)[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000810244634 630857653 /nfs/dbraw/zinc/85/76/53/630857653.db2.gz HDOJFQIRHFMWJP-CABCVRRESA-N 1 0 278.440 3.472 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)CN(C)C(C)C)c(O)c1C ZINC000810253834 630860480 /nfs/dbraw/zinc/86/04/80/630860480.db2.gz DTPOFVGQHIFIMD-UKRRQHHQSA-N 1 0 278.440 3.388 20 10 CGCDRO CC[C@@H]([NH2+][C@H](C)CN(C)C(C)C)c1ccc(C)cc1O ZINC000810254787 630860506 /nfs/dbraw/zinc/86/05/06/630860506.db2.gz RRWUVDSKTWDVEM-GDBMZVCRSA-N 1 0 278.440 3.470 20 10 CGCDRO COc1cccc(C[N@@H+]2CC3(CCC3)[C@H]2C(C)C)c1O ZINC000814171836 631536464 /nfs/dbraw/zinc/53/64/64/631536464.db2.gz VNPMZBWKUHXHLX-MRXNPFEDSA-N 1 0 275.392 3.411 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c(O)c1 ZINC000814169328 631537077 /nfs/dbraw/zinc/53/70/77/631537077.db2.gz GRIUYCQTTJNSIB-LSDHHAIUSA-N 1 0 297.345 3.268 20 10 CGCDRO Cc1cc(C[N@@H+]2CCC[C@H](n3ccnc3)C2)ccc1N(C)C ZINC000815034733 631706440 /nfs/dbraw/zinc/70/64/40/631706440.db2.gz AEXNFLDGCHDDAY-KRWDZBQOSA-N 1 0 298.434 3.095 20 10 CGCDRO CC[C@H]1C[N@H+](Cc2ccc(N(C)C)c(C)c2)CCS1 ZINC000815054237 631707448 /nfs/dbraw/zinc/70/74/48/631707448.db2.gz CITTZYWGFNUGIA-HNNXBMFYSA-N 1 0 278.465 3.388 20 10 CGCDRO Cc1cc(C[N@H+](C)CCOC(C)(C)C)ccc1N(C)C ZINC000815061732 631708563 /nfs/dbraw/zinc/70/85/63/631708563.db2.gz GAIPMRCVHMFZQX-UHFFFAOYSA-N 1 0 278.440 3.308 20 10 CGCDRO CCCC[N@H+](CCCO)Cc1ccc(N(C)C)c(C)c1 ZINC000815084861 631713706 /nfs/dbraw/zinc/71/37/06/631713706.db2.gz CVBNEDNMSNNURM-UHFFFAOYSA-N 1 0 278.440 3.046 20 10 CGCDRO Cc1ccccc1[C@H](CO)[NH2+]Cc1ccc(N(C)C)c(C)c1 ZINC000815086568 631714052 /nfs/dbraw/zinc/71/40/52/631714052.db2.gz MDPLPCLNRRGUSY-SFHVURJKSA-N 1 0 298.430 3.193 20 10 CGCDRO Cc1cc(C[NH2+][C@@]2(C)CCO[C@H]2C2CC2)ccc1N(C)C ZINC000815088425 631714326 /nfs/dbraw/zinc/71/43/26/631714326.db2.gz DJNSICFZZLZIDC-ROUUACIJSA-N 1 0 288.435 3.108 20 10 CGCDRO Cc1ccncc1C[N@@H+](C)Cc1ccc(N(C)C)c(C)c1 ZINC000815105551 631717410 /nfs/dbraw/zinc/71/74/10/631717410.db2.gz GIYIOHBRPXZVFY-UHFFFAOYSA-N 1 0 283.419 3.396 20 10 CGCDRO CO[C@@]1(C)CCC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000815102281 631717650 /nfs/dbraw/zinc/71/76/50/631717650.db2.gz HRAQBOCMAYQHON-KRWDZBQOSA-N 1 0 276.424 3.062 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCSCC[C@H]2C)cc1 ZINC000815101163 631717750 /nfs/dbraw/zinc/71/77/50/631717750.db2.gz PFYASCOJUNIYOY-CQSZACIVSA-N 1 0 278.465 3.470 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2cnc3n2CCCC3)c(O)c1 ZINC000815624164 631809018 /nfs/dbraw/zinc/80/90/18/631809018.db2.gz QYTJHXZJJBXIQG-CQSZACIVSA-N 1 0 299.418 3.393 20 10 CGCDRO Cc1nocc1C[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000816484534 631989800 /nfs/dbraw/zinc/98/98/00/631989800.db2.gz GJNWYPOBNHUXMM-UHFFFAOYSA-N 1 0 285.391 3.214 20 10 CGCDRO CCN(CC[NH2+]Cc1ccc2ccccc2c1O)C(C)C ZINC000816545325 632006958 /nfs/dbraw/zinc/00/69/58/632006958.db2.gz MMFLDGBMSYILIH-UHFFFAOYSA-N 1 0 286.419 3.365 20 10 CGCDRO C[C@](O)(C[NH2+]Cc1ccc2ccccc2c1O)c1ccco1 ZINC000816555198 632011475 /nfs/dbraw/zinc/01/14/75/632011475.db2.gz XAYZOKBRXOTPFN-SFHVURJKSA-N 1 0 297.354 3.136 20 10 CGCDRO Oc1c(C[NH2+]Cc2cccc(F)n2)ccc2ccccc21 ZINC000816557941 632012176 /nfs/dbraw/zinc/01/21/76/632012176.db2.gz HGUUPQQOGUQZBL-UHFFFAOYSA-N 1 0 282.318 3.369 20 10 CGCDRO OCC[C@H]1CCC[C@H]1[NH2+]Cc1ccc2ccccc2c1O ZINC000816575709 632016306 /nfs/dbraw/zinc/01/63/06/632016306.db2.gz WLPSXUMTYZUQCB-RHSMWYFYSA-N 1 0 285.387 3.186 20 10 CGCDRO CC1(C)C[N@H+](Cc2ccc3ccccc3c2O)CC[C@@H]1O ZINC000816586295 632017493 /nfs/dbraw/zinc/01/74/93/632017493.db2.gz FCAFMGDVTIWPSX-INIZCTEOSA-N 1 0 285.387 3.138 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CC(C)(C)[C@H]2C(C)C)c1 ZINC000816624656 632026476 /nfs/dbraw/zinc/02/64/76/632026476.db2.gz CDWXHTZKRPWLLD-OAHLLOKOSA-N 1 0 263.381 3.267 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCCO[C@H](C(C)C)C2)cc1C ZINC000816674645 632041498 /nfs/dbraw/zinc/04/14/98/632041498.db2.gz GYHHTQVAGRMUSC-KRWDZBQOSA-N 1 0 277.408 3.256 20 10 CGCDRO CC[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(OC)c2O)CCO1 ZINC000817415275 632145717 /nfs/dbraw/zinc/14/57/17/632145717.db2.gz QDNJIQIWOBQPNB-CHWSQXEVSA-N 1 0 299.798 3.101 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)C1(OC)CCOCC1)c1ccccc1O ZINC000817420325 632147735 /nfs/dbraw/zinc/14/77/35/632147735.db2.gz RRHUQXURSJAJLS-HIFRSBDPSA-N 1 0 293.407 3.017 20 10 CGCDRO CC[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cc(C)ccc2O)CCO1 ZINC000817585556 632191324 /nfs/dbraw/zinc/19/13/24/632191324.db2.gz GOVWNBKOKKAQRY-MELADBBJSA-N 1 0 263.381 3.309 20 10 CGCDRO CC[C@H]([NH2+]C1CCN(OC)CC1)c1cc(Cl)ccc1O ZINC000817589490 632192809 /nfs/dbraw/zinc/19/28/09/632192809.db2.gz YFLFHLDQKXCGJQ-AWEZNQCLSA-N 1 0 298.814 3.112 20 10 CGCDRO CC[C@@H]([NH2+]CCC[NH3+])c1ccc(Cl)c(Cl)c1[O-] ZINC000817938244 632237640 /nfs/dbraw/zinc/23/76/40/632237640.db2.gz HIKPJHIRCATXLD-SNVBAGLBSA-N 1 0 277.195 3.089 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H](N)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000817954675 632248593 /nfs/dbraw/zinc/24/85/93/632248593.db2.gz GMCQXIWFESRTIH-RBUKOAKNSA-N 1 0 297.446 3.493 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](N)c2ccccc2)c(O)c1 ZINC000817955307 632249992 /nfs/dbraw/zinc/24/99/92/632249992.db2.gz VJZJMMZWWWBPIX-BBRMVZONSA-N 1 0 270.376 3.051 20 10 CGCDRO Cc1nc2c(s1)[C@@H]([NH2+]CCc1ccc(N)cc1)CCC2 ZINC000817955423 632250208 /nfs/dbraw/zinc/25/02/08/632250208.db2.gz AKAHIAKCQDXSAT-AWEZNQCLSA-N 1 0 287.432 3.243 20 10 CGCDRO CC[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cccc(Cl)c1[O-] ZINC000817955526 632250378 /nfs/dbraw/zinc/25/03/78/632250378.db2.gz YAOBULPFVBWFMZ-BXUZGUMPSA-N 1 0 282.815 3.086 20 10 CGCDRO CCc1ccc([C@@H](C)[NH2+]CCc2ccc(N)cc2)o1 ZINC000817956078 632251209 /nfs/dbraw/zinc/25/12/09/632251209.db2.gz QDLAEBAHGOWWBV-GFCCVEGCSA-N 1 0 258.365 3.318 20 10 CGCDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)c1ccc(Cl)nc1 ZINC000817956000 632251263 /nfs/dbraw/zinc/25/12/63/632251263.db2.gz NFNCBPSMMGGDRK-LLVKDONJSA-N 1 0 275.783 3.211 20 10 CGCDRO Cc1ccc2c(c1)[C@H]([NH2+]CCc1ccc(N)cc1)CC2 ZINC000817955907 632251349 /nfs/dbraw/zinc/25/13/49/632251349.db2.gz KUFNNAZDCIAGNW-GOSISDBHSA-N 1 0 266.388 3.397 20 10 CGCDRO COc1cccc2c1CCC[C@H]2[NH2+]CCc1ccc(N)cc1 ZINC000817957391 632252157 /nfs/dbraw/zinc/25/21/57/632252157.db2.gz LVXKWLLQTVAANI-GOSISDBHSA-N 1 0 296.414 3.487 20 10 CGCDRO Nc1ccc(CC[NH2+][C@@H]2CCCc3occc32)cc1 ZINC000817957748 632252279 /nfs/dbraw/zinc/25/22/79/632252279.db2.gz PBMOUHWHPUYMFW-OAHLLOKOSA-N 1 0 256.349 3.072 20 10 CGCDRO COc1cc([C@@H](C)[NH2+]CCc2ccc(N)cc2)ccc1F ZINC000817956849 632252283 /nfs/dbraw/zinc/25/22/83/632252283.db2.gz FDYKPXCLSVTJQF-GFCCVEGCSA-N 1 0 288.366 3.310 20 10 CGCDRO C[C@H]([NH2+]CCc1ccc(N)cc1)c1ccc(Cl)cn1 ZINC000817958554 632253006 /nfs/dbraw/zinc/25/30/06/632253006.db2.gz XGLCKOOVOZQOJU-NSHDSACASA-N 1 0 275.783 3.211 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](CN)C2CCCCC2)c1 ZINC000817958944 632255139 /nfs/dbraw/zinc/25/51/39/632255139.db2.gz NDVDIFDORSTBAN-CJNGLKHVSA-N 1 0 276.424 3.259 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H](CN)C2CCCCC2)c(O)c1 ZINC000817960023 632256112 /nfs/dbraw/zinc/25/61/12/632256112.db2.gz WOPJBONIIOAMSI-XJKSGUPXSA-N 1 0 276.424 3.259 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1cccc(Cl)c1[O-] ZINC000817970648 632264788 /nfs/dbraw/zinc/26/47/88/632264788.db2.gz BHXUCHLSSJTTQK-GYSYKLTISA-N 1 0 282.815 3.227 20 10 CGCDRO Cc1cc(N)cc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000817979350 632270368 /nfs/dbraw/zinc/27/03/68/632270368.db2.gz ALIXYOLWUTZEML-AWEZNQCLSA-N 1 0 283.419 3.494 20 10 CGCDRO CC[C@@H]([NH2+]CCC[NH2+]C1CC1)c1cccc(Cl)c1[O-] ZINC000817983653 632272476 /nfs/dbraw/zinc/27/24/76/632272476.db2.gz HNYQBHXGGTXMNV-CQSZACIVSA-N 1 0 282.815 3.228 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1cccc(Cl)c1[O-] ZINC000817982426 632273056 /nfs/dbraw/zinc/27/30/56/632273056.db2.gz SCYRMWXAWCPTGW-MJVIPROJSA-N 1 0 282.815 3.214 20 10 CGCDRO C[C@@H](N[C@@H]1CCCC[NH2+]C1)c1cc2c(cc1O)CCCC2 ZINC000817983905 632273294 /nfs/dbraw/zinc/27/32/94/632273294.db2.gz LCJIODJEOKTCJO-CZUORRHYSA-N 1 0 288.435 3.064 20 10 CGCDRO COc1ccc(N2CCC([NH2+][C@@H]3C[C@H]4C[C@H]4C3)CC2)cc1 ZINC000818239038 632300939 /nfs/dbraw/zinc/30/09/39/632300939.db2.gz TXVLFIOSRMYKLQ-MIFYACCESA-N 1 0 286.419 3.052 20 10 CGCDRO Oc1ccccc1[C@H](CCc1ccccc1)[NH2+][C@@H]1CCOC1 ZINC000818362241 632315127 /nfs/dbraw/zinc/31/51/27/632315127.db2.gz SLKZGIMOTAGKCR-AEFFLSMTSA-N 1 0 297.398 3.445 20 10 CGCDRO [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000818431069 632318186 /nfs/dbraw/zinc/31/81/86/632318186.db2.gz FCEZSIVBSUKYHZ-VXGBXAGGSA-N 1 0 289.206 3.059 20 10 CGCDRO C[C@H]1CC2(C[N@@H+]1Cc1cccc(Cl)c1[O-])CC[NH2+]CC2 ZINC000818431921 632318512 /nfs/dbraw/zinc/31/85/12/632318512.db2.gz WKXDUSPXSXMVOX-LBPRGKRZSA-N 1 0 294.826 3.010 20 10 CGCDRO Cc1cccc(C[NH2+][C@H]2C[C@@]2(F)c2ccccc2)c1O ZINC000822498418 632948668 /nfs/dbraw/zinc/94/86/68/632948668.db2.gz YYUCJWGRYBJDIE-DOTOQJQBSA-N 1 0 271.335 3.428 20 10 CGCDRO C[C@H](CCc1cccnc1)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000866217528 633032805 /nfs/dbraw/zinc/03/28/05/633032805.db2.gz GCWXCJIDNLTHDK-OAHLLOKOSA-N 1 0 283.419 3.259 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCCC23CC3)c1O ZINC000866411104 633126454 /nfs/dbraw/zinc/12/64/54/633126454.db2.gz COAPHMZALWTKEV-RISCZKNCSA-N 1 0 261.365 3.384 20 10 CGCDRO C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@H]1C)c1ccc(Cl)cc1O ZINC000866446700 633137252 /nfs/dbraw/zinc/13/72/52/633137252.db2.gz GSLHQMVYGYDHOC-DNJQJEMRSA-N 1 0 269.772 3.262 20 10 CGCDRO C[C@@H]([NH2+]Cc1cccc2c1CCOC2)c1ccccc1O ZINC000866479461 633152185 /nfs/dbraw/zinc/15/21/85/633152185.db2.gz UHDZMCOGYDMNTA-CYBMUJFWSA-N 1 0 283.371 3.316 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H]2C[C@@H](C)CC[C@H]2C)c1 ZINC000823871642 633163409 /nfs/dbraw/zinc/16/34/09/633163409.db2.gz KXEQZRUDHZLITJ-YWPYICTPSA-N 1 0 263.381 3.315 20 10 CGCDRO C[C@@H]([NH2+][C@H]1C[C@@H](C(=O)OC(C)(C)C)C1)c1ccccc1O ZINC000866524293 633172509 /nfs/dbraw/zinc/17/25/09/633172509.db2.gz BJQNMXZYLQIKRL-UPJWGTAASA-N 1 0 291.391 3.163 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1 ZINC000824696971 633275654 /nfs/dbraw/zinc/27/56/54/633275654.db2.gz WKDPZERVEBFOEC-JZXOWHBKSA-N 1 0 289.419 3.216 20 10 CGCDRO CC[C@@](C)(C[NH2+]Cc1cc(Cl)cc(C)c1O)OC ZINC000824743599 633281914 /nfs/dbraw/zinc/28/19/14/633281914.db2.gz IAMWZBGYLPIAMO-AWEZNQCLSA-N 1 0 271.788 3.259 20 10 CGCDRO CO[C@H]1CC[N@H+](Cc2cc(Cl)cc(C)c2O)C[C@H]1C ZINC000824815361 633294910 /nfs/dbraw/zinc/29/49/10/633294910.db2.gz MPLARILMGAUTQO-RISCZKNCSA-N 1 0 283.799 3.211 20 10 CGCDRO Cc1cc(O)c(C[N@H+](C)Cc2ccc[nH]2)cc1Cl ZINC000824906380 633304275 /nfs/dbraw/zinc/30/42/75/633304275.db2.gz OJJUVVKISFGIRE-UHFFFAOYSA-N 1 0 264.756 3.314 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CCSC[C@@H]2C2CC2)c(O)c1 ZINC000824914339 633305387 /nfs/dbraw/zinc/30/53/87/633305387.db2.gz PTKSCHKCAILSBX-OAHLLOKOSA-N 1 0 293.432 3.118 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H]2CCO[C@H](c3ccncc3)C2)c1 ZINC000824954400 633309709 /nfs/dbraw/zinc/30/97/09/633309709.db2.gz PZSOFUOJOHAAQP-WMZOPIPTSA-N 1 0 298.386 3.106 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2O)c2nccn21 ZINC000825017517 633318461 /nfs/dbraw/zinc/31/84/61/633318461.db2.gz TVSJNYXYHGXITN-SKDRFNHKSA-N 1 0 277.755 3.038 20 10 CGCDRO C[C@@H]1[C@H](O)CC[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000825104533 633329134 /nfs/dbraw/zinc/32/91/34/633329134.db2.gz ZLZYGUVICYTNHB-CXAGYDPISA-N 1 0 283.371 3.014 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCCCn2ccnc2)cc1Cl ZINC000825131992 633331344 /nfs/dbraw/zinc/33/13/44/633331344.db2.gz VRMRKBCCKPIHOD-UHFFFAOYSA-N 1 0 293.798 3.121 20 10 CGCDRO Oc1ccccc1C[NH2+]C1CCC(OC(F)F)CC1 ZINC000825144100 633332311 /nfs/dbraw/zinc/33/23/11/633332311.db2.gz KSKOIYQEESBWOX-UHFFFAOYSA-N 1 0 271.307 3.032 20 10 CGCDRO CC(C)(C[NH2+]Cc1c(O)cccc1Cl)C1(O)CCCC1 ZINC000825232083 633338150 /nfs/dbraw/zinc/33/81/50/633338150.db2.gz OMZFFWLVFGTQFH-UHFFFAOYSA-N 1 0 297.826 3.467 20 10 CGCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]C[C@H](O)C1CCC1 ZINC000825241208 633338566 /nfs/dbraw/zinc/33/85/66/633338566.db2.gz XIWSLJUKXFWEEB-IBGZPJMESA-N 1 0 297.398 3.310 20 10 CGCDRO Cc1ncc(C[NH2+]Cc2cc(Cl)c(C)cc2O)s1 ZINC000825247499 633339178 /nfs/dbraw/zinc/33/91/78/633339178.db2.gz SPBZHOCEPTWPLD-UHFFFAOYSA-N 1 0 282.796 3.409 20 10 CGCDRO CC[C@H](C)[C@@](C)(O)C[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825267443 633340602 /nfs/dbraw/zinc/34/06/02/633340602.db2.gz STICWFVMOHMSIC-NHYWBVRUSA-N 1 0 285.815 3.241 20 10 CGCDRO CCC[C@H](CCO)C[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825315809 633344983 /nfs/dbraw/zinc/34/49/83/633344983.db2.gz MXADOOAXJNTJCE-GFCCVEGCSA-N 1 0 285.815 3.242 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2C[C@@H](C)N(C3CC3)C2)cc1Cl ZINC000825354744 633348445 /nfs/dbraw/zinc/34/84/45/633348445.db2.gz YUTUYHJIHCMULX-DGCLKSJQSA-N 1 0 294.826 3.069 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H](CO)CC(C)(C)C)cc1Cl ZINC000825376373 633349827 /nfs/dbraw/zinc/34/98/27/633349827.db2.gz YQVAXRRMMXRION-LBPRGKRZSA-N 1 0 285.815 3.241 20 10 CGCDRO Cc1c(C[N@H+](C)Cc2cc(Cl)c(C)cc2O)cnn1C ZINC000825731411 633378640 /nfs/dbraw/zinc/37/86/40/633378640.db2.gz HDILEEDZMXVALJ-UHFFFAOYSA-N 1 0 293.798 3.028 20 10 CGCDRO Cc1cc(O)c(C[NH+]2CCC3(CCO3)CC2)cc1Cl ZINC000825779430 633381326 /nfs/dbraw/zinc/38/13/26/633381326.db2.gz LKDSAOQRMUZFPI-UHFFFAOYSA-N 1 0 281.783 3.109 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C2CC(CF)(CF)C2)c1 ZINC000825933604 633388373 /nfs/dbraw/zinc/38/83/73/633388373.db2.gz BDVAZPARAISZMR-SNVBAGLBSA-N 1 0 285.334 3.139 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](O)CC(C)(C)C2)cc1Cl ZINC000826089699 633404403 /nfs/dbraw/zinc/40/44/03/633404403.db2.gz NSEPUEPJNFOJBH-ZDUSSCGKSA-N 1 0 297.826 3.337 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+][C@@H]2COC(C)(C)C2)c1O ZINC000826797645 633433421 /nfs/dbraw/zinc/43/34/21/633433421.db2.gz WPNHMORKGGAFKQ-LBPRGKRZSA-N 1 0 269.772 3.011 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H](CC)COCC2CC2)c1O ZINC000826866502 633438993 /nfs/dbraw/zinc/43/89/93/633438993.db2.gz BPNZXWLEMLHDGI-INIZCTEOSA-N 1 0 277.408 3.249 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCN(C(C)(C)C)C1 ZINC000826872283 633439336 /nfs/dbraw/zinc/43/93/36/633439336.db2.gz KBPRTPKMPBXONG-INIZCTEOSA-N 1 0 289.467 3.023 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H]2COC3(CCC3)C2)cc1Cl ZINC000827125049 633461831 /nfs/dbraw/zinc/46/18/31/633461831.db2.gz HAKDNTOIWAFWTG-GFCCVEGCSA-N 1 0 281.783 3.155 20 10 CGCDRO CCc1cccc(C[NH2+][C@H]2C[C@@H](O)c3ccccc32)c1O ZINC000827172127 633467702 /nfs/dbraw/zinc/46/77/02/633467702.db2.gz PZHBMRVOCYPPSW-DLBZAZTESA-N 1 0 283.371 3.223 20 10 CGCDRO COc1cccc(C[NH+]2CC(Cc3ccc(C)cc3)C2)c1O ZINC000827319309 633481618 /nfs/dbraw/zinc/48/16/18/633481618.db2.gz BWARYQKCGRYCSU-UHFFFAOYSA-N 1 0 297.398 3.384 20 10 CGCDRO CCC[N@H+](C)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000122731565 633501679 /nfs/dbraw/zinc/50/16/79/633501679.db2.gz VMSVVACQLKQRCR-UHFFFAOYSA-N 1 0 251.370 3.237 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](C3CCC3)C2)c1 ZINC000827627503 633504191 /nfs/dbraw/zinc/50/41/91/633504191.db2.gz UXUWZESDDYJDRN-AWEZNQCLSA-N 1 0 275.392 3.413 20 10 CGCDRO Cc1cc(C[N@@H+](C)[C@H]2CCOC2)ccc1N1CCCCC1 ZINC000827771978 633515916 /nfs/dbraw/zinc/51/59/16/633515916.db2.gz JHDBSRLBLHPRNI-KRWDZBQOSA-N 1 0 288.435 3.206 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H](c2ccccc2)[C@@H](C)O)c1O ZINC000827856088 633525880 /nfs/dbraw/zinc/52/58/80/633525880.db2.gz LMWNBNXIBYQDCM-CXAGYDPISA-N 1 0 285.387 3.166 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](c1ccccc1)[C@H](C)O ZINC000827857020 633526160 /nfs/dbraw/zinc/52/61/60/633526160.db2.gz WGCICPOTZZFBSL-KXBFYZLASA-N 1 0 298.430 3.273 20 10 CGCDRO CCc1cccc(C[N@@H+]2C[C@H](C)O[C@@](C)(C(F)F)C2)c1O ZINC000827958152 633540612 /nfs/dbraw/zinc/54/06/12/633540612.db2.gz YYWWKRXFPICEEW-MEDUHNTESA-N 1 0 299.361 3.199 20 10 CGCDRO CCC[C@H](C)[C@H](CO)[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000846184125 636155001 /nfs/dbraw/zinc/15/50/01/636155001.db2.gz NCSMNZZPLKYQNB-VTPLQMEGSA-N 1 0 295.398 3.466 20 10 CGCDRO CCC[C@H](C)[C@H](CO)[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000846185347 636155468 /nfs/dbraw/zinc/15/54/68/636155468.db2.gz VAYHRQYZBYXYPX-BJJXKVORSA-N 1 0 279.424 3.457 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)C1CCOCC1 ZINC000834613083 634197849 /nfs/dbraw/zinc/19/78/49/634197849.db2.gz YSCSEDFMPZPHJM-LSDHHAIUSA-N 1 0 275.392 3.174 20 10 CGCDRO C[C@H](C[C@H](O)c1ccco1)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834625104 634201681 /nfs/dbraw/zinc/20/16/81/634201681.db2.gz SYNPPPIMBCUUGM-ZLDLUXBVSA-N 1 0 287.359 3.074 20 10 CGCDRO CC(=O)[C@@H]1CCC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000872799959 634211158 /nfs/dbraw/zinc/21/11/58/634211158.db2.gz IPTRCZJRVZPCPK-OAHLLOKOSA-N 1 0 283.371 3.346 20 10 CGCDRO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCc3cccc(O)c31)CO2 ZINC000834680902 634218578 /nfs/dbraw/zinc/21/85/78/634218578.db2.gz OETHCFPNLZBBBU-CABCVRRESA-N 1 0 281.355 3.411 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CCc3cccc(O)c32)c(F)c1 ZINC000834680958 634218902 /nfs/dbraw/zinc/21/89/02/634218902.db2.gz QERVHXSFJGKUHF-OAHLLOKOSA-N 1 0 287.334 3.317 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2CCc3cccc(O)c32)c(C)c1 ZINC000834681052 634219077 /nfs/dbraw/zinc/21/90/77/634219077.db2.gz UWHKYRZCQSWGIP-INIZCTEOSA-N 1 0 283.371 3.486 20 10 CGCDRO CCCOc1ccc(C[NH2+]C[C@@H]2CCCOC2)cc1C ZINC000873020999 634232144 /nfs/dbraw/zinc/23/21/44/634232144.db2.gz DSIUYPMQTVOMFK-INIZCTEOSA-N 1 0 277.408 3.300 20 10 CGCDRO CCCOc1ccc(C[NH2+]C[C@]2(C)CCOC2)cc1C ZINC000873049311 634237291 /nfs/dbraw/zinc/23/72/91/634237291.db2.gz FTKWEUKLOXWHPL-KRWDZBQOSA-N 1 0 277.408 3.300 20 10 CGCDRO CCCOc1ccc(C[NH2+]C[C@@H](C)C[C@@H](C)O)cc1C ZINC000873058233 634238986 /nfs/dbraw/zinc/23/89/86/634238986.db2.gz DKNRQZLYUUUROB-DZGCQCFKSA-N 1 0 279.424 3.280 20 10 CGCDRO CCCOc1ccc(C[NH2+]CC[C@@H](C)[S@@](C)=O)cc1C ZINC000873080583 634242714 /nfs/dbraw/zinc/24/27/14/634242714.db2.gz QBTMPFUQIANQQX-JLTOFOAXSA-N 1 0 297.464 3.031 20 10 CGCDRO CCCOc1ccc(C[NH2+]Cc2cc(C)ncn2)cc1C ZINC000873098443 634245954 /nfs/dbraw/zinc/24/59/54/634245954.db2.gz QFUBJMRLIWTNJM-UHFFFAOYSA-N 1 0 285.391 3.172 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCn3ccnc32)c2c1c(F)ccc2O ZINC000834832873 634251673 /nfs/dbraw/zinc/25/16/73/634251673.db2.gz SIUXNGUGIYKSBU-ADEWGFFLSA-N 1 0 287.338 3.011 20 10 CGCDRO CCCOc1ccc(C[NH2+]CC2=CCCOC2)cc1C ZINC000873127848 634251938 /nfs/dbraw/zinc/25/19/38/634251938.db2.gz YKMSNGPUKCWPEJ-UHFFFAOYSA-N 1 0 275.392 3.220 20 10 CGCDRO COCC(C)(C)CC[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000873152673 634259918 /nfs/dbraw/zinc/25/99/18/634259918.db2.gz BYNQNKHEMXGICL-SREVYHEPSA-N 1 0 290.451 3.418 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CC2(CF)CCOCC2)c1 ZINC000834885595 634266576 /nfs/dbraw/zinc/26/65/76/634266576.db2.gz KWWUBGQGJYZJTR-ZDUSSCGKSA-N 1 0 281.371 3.118 20 10 CGCDRO C[C@H]1C[C@H]([NH2+]C[C@H]2CCCC[C@@H]2O)c2c1c(F)ccc2O ZINC000834895734 634273544 /nfs/dbraw/zinc/27/35/44/634273544.db2.gz DIEBDEQTNMTUSZ-XCCSTKFXSA-N 1 0 293.382 3.220 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCC[C@H]2CCOC2)c(O)c1 ZINC000834904175 634281570 /nfs/dbraw/zinc/28/15/70/634281570.db2.gz NNAFQESYDYQMBR-GJZGRUSLSA-N 1 0 277.408 3.476 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1COCC1(C)C)c1ccc(C)cc1O ZINC000834904349 634281595 /nfs/dbraw/zinc/28/15/95/634281595.db2.gz NRIJJTJWGZNDTE-UKRRQHHQSA-N 1 0 263.381 3.166 20 10 CGCDRO CC1(C)C[C@H](C[NH2+][C@H]2CCc3cccc(O)c32)CCO1 ZINC000834910096 634284281 /nfs/dbraw/zinc/28/42/81/634284281.db2.gz NEWBHYNTBABPCU-OCCSQVGLSA-N 1 0 275.392 3.174 20 10 CGCDRO CCO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000834909881 634284576 /nfs/dbraw/zinc/28/45/76/634284576.db2.gz BTFITQOXZZBOFN-IAOVAPTHSA-N 1 0 276.424 3.361 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@H](C)O2)c(O)c1C ZINC000834915573 634286361 /nfs/dbraw/zinc/28/63/61/634286361.db2.gz QVEQOSIGBOAQFT-UBHSHLNASA-N 1 0 263.381 3.227 20 10 CGCDRO CCC1(O)CC[NH+](C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000835025122 634324413 /nfs/dbraw/zinc/32/44/13/634324413.db2.gz FPBUNZPTOZZAPM-WAYWQWQTSA-N 1 0 288.435 3.003 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+]CCc2ccccc2O)cc1 ZINC000835035838 634327244 /nfs/dbraw/zinc/32/72/44/634327244.db2.gz IJSRVORGGGSFFR-WAYWQWQTSA-N 1 0 296.414 3.304 20 10 CGCDRO Cc1ccc(C[NH2+]C/C=C/c2ccc(N(C)C)cc2)cn1 ZINC000835034570 634327620 /nfs/dbraw/zinc/32/76/20/634327620.db2.gz BNKPMMHNHGOOMG-SNAWJCMRSA-N 1 0 281.403 3.259 20 10 CGCDRO Cc1nn(C)cc1[C@@H](C)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835036662 634328502 /nfs/dbraw/zinc/32/85/02/634328502.db2.gz DQMBXKMMSVOWII-PSKZRQQASA-N 1 0 298.434 3.159 20 10 CGCDRO CC[C@H]([NH2+]C/C=C/c1ccc(N(C)C)cc1)[C@H]1CCCO1 ZINC000835040407 634329422 /nfs/dbraw/zinc/32/94/22/634329422.db2.gz CCMPSFGECABNPQ-AAXUHFPESA-N 1 0 288.435 3.313 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+]CC2CCSCC2)cc1 ZINC000835040906 634329446 /nfs/dbraw/zinc/32/94/46/634329446.db2.gz VXUUJYGWPAIOHM-ONEGZZNKSA-N 1 0 290.476 3.499 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@H]2CC=CCC2)cc1 ZINC000835040374 634329615 /nfs/dbraw/zinc/32/96/15/634329615.db2.gz PZVNDMOPUMCZTM-MOEXGYKKSA-N 1 0 256.393 3.464 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+]C2(C3CC3)CC2)cc1 ZINC000835043360 634330250 /nfs/dbraw/zinc/33/02/50/634330250.db2.gz PSCMQLPXGLIKNW-ONEGZZNKSA-N 1 0 256.393 3.298 20 10 CGCDRO C[C@H]([NH2+]C/C=C/c1ccc(N(C)C)cc1)c1ccc[nH]1 ZINC000835042073 634330507 /nfs/dbraw/zinc/33/05/07/634330507.db2.gz QQLFQRAZHJEVNI-YVZNUBBCSA-N 1 0 269.392 3.445 20 10 CGCDRO COC1(C)CC[NH+](C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000835043672 634331166 /nfs/dbraw/zinc/33/11/66/634331166.db2.gz BCERVKIGNBDELY-AATRIKPKSA-N 1 0 288.435 3.267 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+]CC(C)(C)CCCO)cc1 ZINC000835043669 634331728 /nfs/dbraw/zinc/33/17/28/634331728.db2.gz XPHOYFKJERBORH-ALCCZGGFSA-N 1 0 290.451 3.154 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@@H]2CCC(C)(C)O2)cc1 ZINC000835045908 634332766 /nfs/dbraw/zinc/33/27/66/634332766.db2.gz LMCZMWVETYWWQW-OSJSJHBBSA-N 1 0 288.435 3.313 20 10 CGCDRO CC[C@H]1C[N@H+](C/C=C/c2ccc(N(C)C)cc2)CCCO1 ZINC000835051258 634337022 /nfs/dbraw/zinc/33/70/22/634337022.db2.gz IUSUZJPHXLHHNM-FZMUQLTDSA-N 1 0 288.435 3.267 20 10 CGCDRO CO[C@@H]1CC[N@H+](C/C=C/c2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000835053795 634338153 /nfs/dbraw/zinc/33/81/53/634338153.db2.gz YLHBRDDUBJKVHJ-HLJKATFASA-N 1 0 288.435 3.265 20 10 CGCDRO CO[C@@H]([C@@H](C)[NH2+]C/C=C/c1ccc(N(C)C)cc1)C1CC1 ZINC000835055244 634338933 /nfs/dbraw/zinc/33/89/33/634338933.db2.gz SCLGMCKSDRXJRG-HEAGNNNHSA-N 1 0 288.435 3.169 20 10 CGCDRO CN(C)CC(C)(C)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000835068931 634344556 /nfs/dbraw/zinc/34/45/56/634344556.db2.gz JEYZDWSPEDFQIM-UHFFFAOYSA-N 1 0 298.430 3.489 20 10 CGCDRO COC[C@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000019904581 634368003 /nfs/dbraw/zinc/36/80/03/634368003.db2.gz SSHREZKKSXEWIS-RYUDHWBXSA-N 1 0 259.349 3.231 20 10 CGCDRO COC[C@@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000019904583 634368170 /nfs/dbraw/zinc/36/81/70/634368170.db2.gz SSHREZKKSXEWIS-VXGBXAGGSA-N 1 0 259.349 3.231 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCO[C@@H](c3cccs3)C2)c(O)c1 ZINC000876645010 634874534 /nfs/dbraw/zinc/87/45/34/634874534.db2.gz HIGJHHYDMJPQQD-OAHLLOKOSA-N 1 0 289.400 3.336 20 10 CGCDRO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1ccc(C)cc1O ZINC000876806690 634901769 /nfs/dbraw/zinc/90/17/69/634901769.db2.gz RXPDVZVAZNQSMO-INIZCTEOSA-N 1 0 285.391 3.080 20 10 CGCDRO Cc1ccc(C[NH2+]C[C@H](c2ccsc2)N(C)C)c(O)c1 ZINC000876912391 634927188 /nfs/dbraw/zinc/92/71/88/634927188.db2.gz GNQVAXMKMIDKSF-OAHLLOKOSA-N 1 0 290.432 3.155 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]Cc2c(C)cccc2O)cn1 ZINC000876930831 634931391 /nfs/dbraw/zinc/93/13/91/634931391.db2.gz DJUBSNCLIATPEY-UHFFFAOYSA-N 1 0 299.418 3.232 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H](C)c2cnn(C(C)C)c2)c(O)c1 ZINC000877024546 634953429 /nfs/dbraw/zinc/95/34/29/634953429.db2.gz HEZMZIQVEHVQCC-ZDUSSCGKSA-N 1 0 273.380 3.329 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H]1CC1(Cl)Cl ZINC000877030550 634956241 /nfs/dbraw/zinc/95/62/41/634956241.db2.gz FRUJRAAAARBCSU-GFCCVEGCSA-N 1 0 287.234 3.344 20 10 CGCDRO CS[C@H]1CCC[C@@H]([NH2+]Cc2c(C)cccc2O)C1 ZINC000877035175 634957976 /nfs/dbraw/zinc/95/79/76/634957976.db2.gz CZVXNLKSJNCUDH-OLZOCXBDSA-N 1 0 265.422 3.464 20 10 CGCDRO Cc1ccc(C[NH2+]CCCSc2nccs2)c(O)c1 ZINC000877061456 634967662 /nfs/dbraw/zinc/96/76/62/634967662.db2.gz IFKAHOCFBUFYAQ-UHFFFAOYSA-N 1 0 294.445 3.429 20 10 CGCDRO COc1ccc(C[NH2+]Cc2ccc(C)cc2O)c(C)c1 ZINC000877110309 634986439 /nfs/dbraw/zinc/98/64/39/634986439.db2.gz PYKFVIUHUCAXFG-UHFFFAOYSA-N 1 0 271.360 3.307 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]CCSCC(C)C ZINC000877122049 634990073 /nfs/dbraw/zinc/99/00/73/634990073.db2.gz GHNTWYKVAJBSKT-UHFFFAOYSA-N 1 0 253.411 3.179 20 10 CGCDRO Cc1ccc(C[NH2+]CCSCC(F)(F)F)c(O)c1 ZINC000877120957 634990348 /nfs/dbraw/zinc/99/03/48/634990348.db2.gz KUYYCOAFLAZPMG-UHFFFAOYSA-N 1 0 279.327 3.086 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)c(O)c1 ZINC000877123093 634991064 /nfs/dbraw/zinc/99/10/64/634991064.db2.gz GKBOBLWPHDEBJZ-ZBFHGGJFSA-N 1 0 277.408 3.384 20 10 CGCDRO COc1ccc(F)cc1C[NH2+]Cc1ccc(C)cc1O ZINC000877425506 635038871 /nfs/dbraw/zinc/03/88/71/635038871.db2.gz CHKKCGGJZCHTOY-UHFFFAOYSA-N 1 0 275.323 3.138 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)c1ccn(C)n1 ZINC000840818206 635058573 /nfs/dbraw/zinc/05/85/73/635058573.db2.gz XQMSUASRGUIBOE-VHSXEESVSA-N 1 0 279.771 3.191 20 10 CGCDRO Cc1ccc(C[NH2+][C@H]2CCCC23CCOCC3)c(O)c1 ZINC000877498995 635061577 /nfs/dbraw/zinc/06/15/77/635061577.db2.gz AXHDJIKBHRHZSA-INIZCTEOSA-N 1 0 275.392 3.140 20 10 CGCDRO COCC[C@@H](C)C[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000840836308 635061806 /nfs/dbraw/zinc/06/18/06/635061806.db2.gz XVDVLCWACVHCKH-RISCZKNCSA-N 1 0 265.397 3.332 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]CC1(C(F)(F)F)CC1 ZINC000877520290 635069893 /nfs/dbraw/zinc/06/98/93/635069893.db2.gz RXRSKPCBXATNLG-UHFFFAOYSA-N 1 0 259.271 3.133 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCc2ccc(O)cc2)c(Cl)c1 ZINC000840886115 635074199 /nfs/dbraw/zinc/07/41/99/635074199.db2.gz OIVWOIAYZBXJTL-UHFFFAOYSA-N 1 0 291.778 3.392 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H]1CCOC[C@@H]1C ZINC000840893840 635077511 /nfs/dbraw/zinc/07/75/11/635077511.db2.gz MVKICGSENQEXJD-MPGHIAIKSA-N 1 0 290.451 3.007 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000877538551 635078077 /nfs/dbraw/zinc/07/80/77/635078077.db2.gz DIDXWAIXRNNQOF-LLVKDONJSA-N 1 0 255.308 3.178 20 10 CGCDRO Cc1ccc(C[N@@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c(O)c1 ZINC000877539940 635079138 /nfs/dbraw/zinc/07/91/38/635079138.db2.gz QSWIDXMQQOUKQJ-CVEARBPZSA-N 1 0 275.392 3.090 20 10 CGCDRO COCCC1(C[NH2+]Cc2c(O)cc(C)cc2Cl)CC1 ZINC000840909387 635079744 /nfs/dbraw/zinc/07/97/44/635079744.db2.gz RIWOFIDDRXIHCF-UHFFFAOYSA-N 1 0 283.799 3.260 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000877542142 635080752 /nfs/dbraw/zinc/08/07/52/635080752.db2.gz WNBZUWUUQQPQAS-IAGOWNOFSA-N 1 0 287.403 3.234 20 10 CGCDRO Cc1noc(C)c1C[N@@H+](C)Cc1ccc(N(C)C)cc1C ZINC000840911121 635081866 /nfs/dbraw/zinc/08/18/66/635081866.db2.gz PPPAXVCXYSCMHS-UHFFFAOYSA-N 1 0 287.407 3.298 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCc1ccccc1O ZINC000840931992 635084871 /nfs/dbraw/zinc/08/48/71/635084871.db2.gz AZOBYVYMRWNHSE-UHFFFAOYSA-N 1 0 284.403 3.099 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000840936519 635085875 /nfs/dbraw/zinc/08/58/75/635085875.db2.gz KTRDSLBDBZZADF-AEFFLSMTSA-N 1 0 290.451 3.044 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c(O)c1 ZINC000877557149 635089669 /nfs/dbraw/zinc/08/96/69/635089669.db2.gz HGIHZVUIFPOKCO-LBPRGKRZSA-N 1 0 286.331 3.460 20 10 CGCDRO COc1ccc(C[NH2+][C@H](C)[C@@](C)(OC)C2CC2)cc1C ZINC000840962017 635095160 /nfs/dbraw/zinc/09/51/60/635095160.db2.gz ZXSARNAIXMXIBP-CXAGYDPISA-N 1 0 277.408 3.297 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)[C@@H]1CC1(F)F ZINC000840967871 635096268 /nfs/dbraw/zinc/09/62/68/635096268.db2.gz KMADEDHSNKUMMG-ONGXEEELSA-N 1 0 272.314 3.025 20 10 CGCDRO CC[N@H+](Cc1occc1C)Cc1c(O)cccc1OC ZINC000840969638 635097003 /nfs/dbraw/zinc/09/70/03/635097003.db2.gz GKBLSUPJSGRMAC-UHFFFAOYSA-N 1 0 275.348 3.324 20 10 CGCDRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2c(C)cccc2O)cc1C ZINC000877579666 635100553 /nfs/dbraw/zinc/10/05/53/635100553.db2.gz XREGNHPUFKSENA-KRWDZBQOSA-N 1 0 299.414 3.011 20 10 CGCDRO CC(C)c1ccc([C@@H](N)C[NH2+]Cc2ccccc2O)cc1 ZINC000841036235 635111113 /nfs/dbraw/zinc/11/11/13/635111113.db2.gz LQUJCUIKWLEISC-KRWDZBQOSA-N 1 0 284.403 3.305 20 10 CGCDRO C[NH2+]Cc1cccc(NCc2ccc(N(C)C)c(F)c2)c1 ZINC000841042903 635113571 /nfs/dbraw/zinc/11/35/71/635113571.db2.gz KWZJWXQZIXHONS-UHFFFAOYSA-N 1 0 287.382 3.223 20 10 CGCDRO C[C@H]1CN(Cc2cccc(F)c2O)c2ccccc2C[NH2+]1 ZINC000841088788 635120055 /nfs/dbraw/zinc/12/00/55/635120055.db2.gz DNZQLKWXXHELKZ-LBPRGKRZSA-N 1 0 286.350 3.030 20 10 CGCDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCc2ccccc21 ZINC000877628270 635120477 /nfs/dbraw/zinc/12/04/77/635120477.db2.gz FSCOLJNJEJFUCK-MRXNPFEDSA-N 1 0 253.345 3.478 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000877644170 635128692 /nfs/dbraw/zinc/12/86/92/635128692.db2.gz RTTSLFMIQZZXND-UHFFFAOYSA-N 1 0 285.391 3.008 20 10 CGCDRO Cc1cccc(C[NH2+]C(C)(C)[C@H]2CCCCO2)c1O ZINC000877702075 635152630 /nfs/dbraw/zinc/15/26/30/635152630.db2.gz JAAJYJICPJPZKB-CQSZACIVSA-N 1 0 263.381 3.138 20 10 CGCDRO COC(C)(C)CC[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000877707691 635158653 /nfs/dbraw/zinc/15/86/53/635158653.db2.gz CNXYCLLVMDSDRI-UHFFFAOYSA-N 1 0 271.788 3.259 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)C1CC(F)(F)C1)c1ccccc1O ZINC000877756000 635186369 /nfs/dbraw/zinc/18/63/69/635186369.db2.gz XWTBZGRLVPFKNO-VHSXEESVSA-N 1 0 255.308 3.477 20 10 CGCDRO C[C@H]([NH2+]C[C@H](O)c1ccco1)c1ccc(Cl)cc1O ZINC000841743426 635220406 /nfs/dbraw/zinc/22/04/06/635220406.db2.gz GFYURXTTZQLHET-ZANVPECISA-N 1 0 281.739 3.023 20 10 CGCDRO CC[C@@H](C)N(C)CC[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841745760 635222366 /nfs/dbraw/zinc/22/23/66/635222366.db2.gz AJAJSYPUASYLGR-NEPJUHHUSA-N 1 0 284.831 3.427 20 10 CGCDRO C[C@H]([NH2+][C@@H](CCO)c1ccco1)c1ccc(Cl)cc1O ZINC000841751683 635225051 /nfs/dbraw/zinc/22/50/51/635225051.db2.gz IQDVRAMIAPYVOP-GWCFXTLKSA-N 1 0 295.766 3.413 20 10 CGCDRO CCn1cc(C[NH2+][C@H](C)c2ccc(Cl)cc2O)cn1 ZINC000841749803 635225196 /nfs/dbraw/zinc/22/51/96/635225196.db2.gz QQVFSRGOFZLEKD-SNVBAGLBSA-N 1 0 279.771 3.113 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CCSC1)c1ccc(Cl)cc1O ZINC000841752210 635225783 /nfs/dbraw/zinc/22/57/83/635225783.db2.gz RNBJBODWQNLJHG-SCZZXKLOSA-N 1 0 257.786 3.202 20 10 CGCDRO C/C=C/C[C@H](CO)[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841752367 635225940 /nfs/dbraw/zinc/22/59/40/635225940.db2.gz ORWKAUROCFYBPL-KJDJKKKBSA-N 1 0 269.772 3.023 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCn2ccnc21)c1ccc(Cl)cc1O ZINC000841758598 635231023 /nfs/dbraw/zinc/23/10/23/635231023.db2.gz TUYDGBMKNFSJTM-BXKDBHETSA-N 1 0 277.755 3.038 20 10 CGCDRO C[C@H]([NH2+][C@H]1C[C@@](C)(O)C1)c1ccc(N2CCCCC2)cc1 ZINC000841759779 635233231 /nfs/dbraw/zinc/23/32/31/635233231.db2.gz QFIBWUJUHWNKEA-QILLFSRXSA-N 1 0 288.435 3.241 20 10 CGCDRO C[C@@H]([NH2+]CCOc1cccnc1)c1ccc(Cl)cc1O ZINC000841764551 635234112 /nfs/dbraw/zinc/23/41/12/635234112.db2.gz QGGZTIIKTZNBTB-LLVKDONJSA-N 1 0 292.766 3.170 20 10 CGCDRO Oc1ccc(F)cc1C[N@@H+]1CCSC[C@H]1C1CCC1 ZINC000841894614 635250350 /nfs/dbraw/zinc/25/03/50/635250350.db2.gz ZXZJELLCQARQSD-AWEZNQCLSA-N 1 0 281.396 3.249 20 10 CGCDRO O=c1cc(C[N@@H+](Cc2ccccc2O)C2CCCC2)cc[nH]1 ZINC000878103022 635357801 /nfs/dbraw/zinc/35/78/01/635357801.db2.gz GXFHPZJQMDSTLM-UHFFFAOYSA-N 1 0 298.386 3.438 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2CC3(C[C@H]2C)CCOCC3)cc1C ZINC000842637213 635425156 /nfs/dbraw/zinc/42/51/56/635425156.db2.gz KYEXLARPHAALNX-OAHLLOKOSA-N 1 0 289.419 3.400 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCC3(CCC3)O2)c1 ZINC000878360976 635474159 /nfs/dbraw/zinc/47/41/59/635474159.db2.gz USCAHEMUWARSKU-TZMCWYRMSA-N 1 0 291.391 3.153 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CCc3ccsc3C2)c1 ZINC000127081412 635489418 /nfs/dbraw/zinc/48/94/18/635489418.db2.gz ZFRFZZGPQBECGX-UHFFFAOYSA-N 1 0 289.400 3.411 20 10 CGCDRO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2cc(F)ccc2O)[C@@H]1SC ZINC000842924891 635513583 /nfs/dbraw/zinc/51/35/83/635513583.db2.gz VICOFVKFQKPJIW-VHIFSBLJSA-N 1 0 299.411 3.091 20 10 CGCDRO Cc1cc(O)c(CN(C)CC[C@@H]([NH3+])C(C)C)c(Cl)c1 ZINC000843056426 635553097 /nfs/dbraw/zinc/55/30/97/635553097.db2.gz JPFQHXBTWDYDQA-CQSZACIVSA-N 1 0 284.831 3.159 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000843416971 635663484 /nfs/dbraw/zinc/66/34/84/635663484.db2.gz NBCGWCZJCVLGHF-WFASDCNBSA-N 1 0 295.810 3.437 20 10 CGCDRO CCN(C)c1ccc(C[NH+]2CCC(C(C)(C)O)CC2)cc1 ZINC000879628260 635820648 /nfs/dbraw/zinc/82/06/48/635820648.db2.gz NRCOCOZGUKQKRM-UHFFFAOYSA-N 1 0 290.451 3.126 20 10 CGCDRO CCOC(=O)CC(C)(C)CC[NH2+][C@H](C)c1ccccc1O ZINC000879648804 635826612 /nfs/dbraw/zinc/82/66/12/635826612.db2.gz ACUWIQMHUWXPOP-CYBMUJFWSA-N 1 0 293.407 3.412 20 10 CGCDRO COC(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)c2ccccc2O)o1 ZINC000879651794 635828297 /nfs/dbraw/zinc/82/82/97/635828297.db2.gz KVDZOBPFBXIYRV-WDEREUQCSA-N 1 0 289.331 3.184 20 10 CGCDRO C[C@H]([NH2+]C[C@@H](O)c1ccc(F)c(F)c1)c1ccccc1O ZINC000879651939 635828485 /nfs/dbraw/zinc/82/84/85/635828485.db2.gz QCIAQZWUTJBJJD-MGPLVRAMSA-N 1 0 293.313 3.055 20 10 CGCDRO C[C@H]([NH2+]Cc1cnc(C(F)(F)F)nc1)c1ccccc1O ZINC000844312793 635866823 /nfs/dbraw/zinc/86/68/23/635866823.db2.gz NSEJDEDAGLTZNA-VIFPVBQESA-N 1 0 297.280 3.052 20 10 CGCDRO CC[C@]1(C)CCC[C@@H]1[NH2+]Cc1cccc(OC)c1O ZINC000845970153 636125603 /nfs/dbraw/zinc/12/56/03/636125603.db2.gz KVLMEVZMCZOFEY-GOEBONIOSA-N 1 0 263.381 3.459 20 10 CGCDRO CCC[C@H](C)[C@@H](CO)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000846015019 636129916 /nfs/dbraw/zinc/12/99/16/636129916.db2.gz UGUXIYGEFDBWSM-QXXHJNCHSA-N 1 0 290.451 3.153 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H](c2ccccc2F)[C@@H](C)O)c1O ZINC000846017499 636130711 /nfs/dbraw/zinc/13/07/11/636130711.db2.gz ORCAVHXVYSPSDA-MLGOLLRUSA-N 1 0 289.350 3.051 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@@H](CC)OC[C@@H]2CC)c1 ZINC000846028013 636131906 /nfs/dbraw/zinc/13/19/06/636131906.db2.gz UCMZECVAGSYDIW-LSDHHAIUSA-N 1 0 293.407 3.180 20 10 CGCDRO Oc1c(C[N@@H+]2CCC[C@H](F)C2)ccc2ccccc21 ZINC000846121308 636148400 /nfs/dbraw/zinc/14/84/00/636148400.db2.gz XSGMTOBSSBTPBG-AWEZNQCLSA-N 1 0 259.324 3.479 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)c2ccccn2)c1O ZINC000846136526 636148970 /nfs/dbraw/zinc/14/89/70/636148970.db2.gz JSULKFFHKSOICP-RYUDHWBXSA-N 1 0 272.348 3.208 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]Cc2ccc(F)cc2)c1O ZINC000846138449 636148994 /nfs/dbraw/zinc/14/89/94/636148994.db2.gz RUHCYGZCEGVDKP-NSHDSACASA-N 1 0 275.323 3.391 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+][C@@H](CC(C)C)CN(C)C)c1O ZINC000846144635 636149277 /nfs/dbraw/zinc/14/92/77/636149277.db2.gz JRQJJZFWRSSREW-KGLIPLIRSA-N 1 0 294.439 3.028 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]CCCCSC)c1O ZINC000846147521 636150014 /nfs/dbraw/zinc/15/00/14/636150014.db2.gz VYFURGIWBJYVOO-LLVKDONJSA-N 1 0 269.410 3.195 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CC23CCCC3)c1O ZINC000846164770 636151123 /nfs/dbraw/zinc/15/11/23/636151123.db2.gz IHNJYTWFWRYHBX-SMDDNHRTSA-N 1 0 261.365 3.384 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]CC2(OC)CCCC2)c1O ZINC000846168608 636152053 /nfs/dbraw/zinc/15/20/53/636152053.db2.gz BJJBOLMWLJAZSZ-GFCCVEGCSA-N 1 0 279.380 3.011 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2CCC(C)(C)O2)c1O ZINC000846166439 636152340 /nfs/dbraw/zinc/15/23/40/636152340.db2.gz ZDWATEBLMWSNFO-RYUDHWBXSA-N 1 0 279.380 3.009 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]CC2(C(F)(F)F)CC2)c1O ZINC000846170567 636153146 /nfs/dbraw/zinc/15/31/46/636153146.db2.gz LZZHGKHBDJIXEZ-SECBINFHSA-N 1 0 289.297 3.394 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)c1O ZINC000846187764 636156169 /nfs/dbraw/zinc/15/61/69/636156169.db2.gz CNLOCGQJGNSXJU-FRJFDASCSA-N 1 0 281.783 3.325 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCc2cccc(O)c21)[C@](C)(O)c1ccccc1 ZINC000846188068 636156386 /nfs/dbraw/zinc/15/63/86/636156386.db2.gz OCQCYXCPAAYPCQ-AXHNFQJDSA-N 1 0 297.398 3.265 20 10 CGCDRO C[C@H](COCC1CC1)[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000846203126 636158085 /nfs/dbraw/zinc/15/80/85/636158085.db2.gz FFWMTHPEMCYHQS-GYSYKLTISA-N 1 0 293.382 3.484 20 10 CGCDRO C[C@@H]1CC[C@H]([NH2+]CCCSc2nccs2)CS1 ZINC000848528052 636589809 /nfs/dbraw/zinc/58/98/09/636589809.db2.gz JINPQYGHFDJIDB-MNOVXSKESA-N 1 0 288.507 3.499 20 10 CGCDRO CC[C@@H]([NH2+]CC1(COC)CC1)c1ccc(N(C)C)cc1 ZINC000848561447 636606743 /nfs/dbraw/zinc/60/67/43/636606743.db2.gz WXMGXIWWWFHAHV-MRXNPFEDSA-N 1 0 276.424 3.220 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)Cc2ccccn2)c1 ZINC000848565839 636609392 /nfs/dbraw/zinc/60/93/92/636609392.db2.gz TWYIAEIKLSKNJD-STQMWFEESA-N 1 0 286.375 3.078 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)[C@@H]1CCCCO1 ZINC000848575877 636614957 /nfs/dbraw/zinc/61/49/57/636614957.db2.gz XLJBCIULCGKXAG-WBVHZDCISA-N 1 0 294.414 3.329 20 10 CGCDRO CO[C@H]1C[C@H](C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)C1 ZINC000883272384 636642933 /nfs/dbraw/zinc/64/29/33/636642933.db2.gz LBWUNOIOJKGIKH-MRBYEJRBSA-N 1 0 279.355 3.094 20 10 CGCDRO CCc1cccc(C[N@H+]2C[C@@H](C)S[C@@H](C)C2)c1O ZINC000848883308 636671986 /nfs/dbraw/zinc/67/19/86/636671986.db2.gz LYOVWYXSIZUAKF-TXEJJXNPSA-N 1 0 265.422 3.280 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCC[C@@H]2CN2CCCC2)c1O ZINC000848883963 636673391 /nfs/dbraw/zinc/67/33/91/636673391.db2.gz WDDUZZKTFBWNAP-QGZVFWFLSA-N 1 0 288.435 3.015 20 10 CGCDRO CCc1cccc(C[NH2+]C(CC)(CC)CC(=O)OC)c1O ZINC000848898553 636680848 /nfs/dbraw/zinc/68/08/48/636680848.db2.gz WBXNSJJEXVLLLJ-UHFFFAOYSA-N 1 0 293.407 3.166 20 10 CGCDRO CCc1cccc(C[NH2+][C@H](C)C[C@@H](O)c2ccco2)c1O ZINC000848900730 636681846 /nfs/dbraw/zinc/68/18/46/636681846.db2.gz PRAMOOCJTHQXGG-IUODEOHRSA-N 1 0 289.375 3.149 20 10 CGCDRO CCc1cccc(C[NH2+]CC[C@H]2CCO[C@H](C)C2)c1O ZINC000848901898 636683241 /nfs/dbraw/zinc/68/32/41/636683241.db2.gz FWETYOAKTXUBRL-KGLIPLIRSA-N 1 0 277.408 3.249 20 10 CGCDRO CCc1ccc([C@H](O)C[NH2+]Cc2cccc(CC)c2O)cc1 ZINC000848910765 636686436 /nfs/dbraw/zinc/68/64/36/636686436.db2.gz PTFAALNDTNDNCG-GOSISDBHSA-N 1 0 299.414 3.340 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H](C)[C@H](O)c2ccccc2)c1O ZINC000848912175 636687198 /nfs/dbraw/zinc/68/71/98/636687198.db2.gz NNSHEGNQAFCFOR-GUYCJALGSA-N 1 0 285.387 3.166 20 10 CGCDRO CCc1cccc(C[N@H+](C)Cc2occc2C)c1O ZINC000848913088 636687237 /nfs/dbraw/zinc/68/72/37/636687237.db2.gz NWFJMCIJCRSUBT-UHFFFAOYSA-N 1 0 259.349 3.488 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]C2CCC3(COC3)CC2)c1O ZINC000883382465 636724450 /nfs/dbraw/zinc/72/44/50/636724450.db2.gz HHKPXKCDBRFDCV-GFCCVEGCSA-N 1 0 291.391 3.011 20 10 CGCDRO Cc1ccc(NC(=[NH2+])NCc2ccccc2O)cc1C ZINC000849057308 636735143 /nfs/dbraw/zinc/73/51/43/636735143.db2.gz MTHBZEPYUWOBSI-UHFFFAOYSA-N 1 0 269.348 3.146 20 10 CGCDRO Cc1cc(C)cc(NC(=[NH2+])NCc2ccccc2O)c1 ZINC000849057159 636735326 /nfs/dbraw/zinc/73/53/26/636735326.db2.gz CSLYVYOVIYOTIM-UHFFFAOYSA-N 1 0 269.348 3.146 20 10 CGCDRO CCOc1cccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)c1O ZINC000131826154 636754737 /nfs/dbraw/zinc/75/47/37/636754737.db2.gz HCIIRBCNXIPLLQ-BETUJISGSA-N 1 0 263.381 3.269 20 10 CGCDRO CC[C@H]([NH2+]CC1(O)CCCCC1)c1ccc(N(C)C)cc1 ZINC000134074414 636996573 /nfs/dbraw/zinc/99/65/73/636996573.db2.gz XVENIXDUSKUBTJ-KRWDZBQOSA-N 1 0 290.451 3.489 20 10 CGCDRO Oc1ccccc1C[NH2+]Cc1csc(-c2ccccn2)n1 ZINC000134236200 637008765 /nfs/dbraw/zinc/00/87/65/637008765.db2.gz UQPSXJCDXCOMJG-UHFFFAOYSA-N 1 0 297.383 3.201 20 10 CGCDRO CC[C@@H](COCC1CC1)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000850349108 637022611 /nfs/dbraw/zinc/02/26/11/637022611.db2.gz CHABOULYDKYBQN-HNNXBMFYSA-N 1 0 294.414 3.187 20 10 CGCDRO CCOc1ccc(C[NH2+]CC[C@]2(C)CC2(F)F)c(O)c1 ZINC000850380657 637040495 /nfs/dbraw/zinc/04/04/95/637040495.db2.gz JIVSOYTXQVYNMI-CQSZACIVSA-N 1 0 285.334 3.316 20 10 CGCDRO CC(C)[C@H](O)[C@@H]([NH2+]Cc1ccccc1O)c1ccccc1 ZINC000850394870 637047176 /nfs/dbraw/zinc/04/71/76/637047176.db2.gz HEZRCAKKVWQOFP-ROUUACIJSA-N 1 0 285.387 3.240 20 10 CGCDRO COc1cccc(C[NH2+]Cc2cccc(OC)c2O)c1C ZINC000850416076 637053993 /nfs/dbraw/zinc/05/39/93/637053993.db2.gz ALRPDOHSYUGHBL-UHFFFAOYSA-N 1 0 287.359 3.008 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](C)c2ccccn2)c1 ZINC000850481702 637085618 /nfs/dbraw/zinc/08/56/18/637085618.db2.gz JBGOEARLRJPILD-QWHCGFSZSA-N 1 0 286.375 3.250 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC[C@@H]([S@@](C)=O)C2)c1 ZINC000850503285 637093411 /nfs/dbraw/zinc/09/34/11/637093411.db2.gz VYMSLOXTQFWBDR-DIMHRPKISA-N 1 0 295.448 3.041 20 10 CGCDRO Cc1ccncc1CC[NH2+][C@H](C)c1cc(F)ccc1O ZINC000850508245 637095037 /nfs/dbraw/zinc/09/50/37/637095037.db2.gz SNMFCIMPOFVFQH-GFCCVEGCSA-N 1 0 274.339 3.128 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+][C@H](C)c2cscn2)c1O ZINC000850511260 637097046 /nfs/dbraw/zinc/09/70/46/637097046.db2.gz ARVFIDLSTVPYJO-NXEZZACHSA-N 1 0 278.377 3.269 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2c(C3CC3)cnn2C)c(O)c1 ZINC000850534281 637111057 /nfs/dbraw/zinc/11/10/57/637111057.db2.gz ISQRSBTZRCXFHN-ZDUSSCGKSA-N 1 0 299.418 3.471 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC[C@@]2(C)CC2(F)F)c1 ZINC000850536684 637112758 /nfs/dbraw/zinc/11/27/58/637112758.db2.gz MHQZWCDAIWOAFM-YGRLFVJLSA-N 1 0 285.334 3.487 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@H](OC)C2CCCC2)c1O ZINC000850561377 637124205 /nfs/dbraw/zinc/12/42/05/637124205.db2.gz JGNILKKBASUNQI-LRDDRELGSA-N 1 0 293.407 3.257 20 10 CGCDRO CO[C@@]1(C)C[C@H]1[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000850571300 637128756 /nfs/dbraw/zinc/12/87/56/637128756.db2.gz PHJNIKVKRMQKOF-BHYNMZESSA-N 1 0 269.772 3.182 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](C(C)C)C2)c1O ZINC000135648773 637150028 /nfs/dbraw/zinc/15/00/28/637150028.db2.gz BUBDISLNIBXAKG-CYBMUJFWSA-N 1 0 263.381 3.269 20 10 CGCDRO C[N@H+](Cc1ccccc1O)Cc1cccc(F)c1F ZINC000109769936 637267956 /nfs/dbraw/zinc/26/79/56/637267956.db2.gz IGEYBGQATITVCY-UHFFFAOYSA-N 1 0 263.287 3.302 20 10 CGCDRO C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1c([O-])cccc1F ZINC000886491626 637540510 /nfs/dbraw/zinc/54/05/10/637540510.db2.gz JYFCRPRJTJZQNV-NSHDSACASA-N 1 0 294.414 3.491 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@H](C)O[C@@H](C)C2)cc1 ZINC000852586075 637683503 /nfs/dbraw/zinc/68/35/03/637683503.db2.gz CBSNZDKYBWAEBQ-CABCVRRESA-N 1 0 276.424 3.142 20 10 CGCDRO COCC1([NH2+]Cc2ccc(N(C)C)cc2)CCCCC1 ZINC000852772696 637710414 /nfs/dbraw/zinc/71/04/14/637710414.db2.gz PCGCPFRFVQAHMJ-UHFFFAOYSA-N 1 0 276.424 3.192 20 10 CGCDRO CN(C(=O)C=C1CC[NH2+]CC1)c1cccc2ccccc21 ZINC000852821414 637716976 /nfs/dbraw/zinc/71/69/76/637716976.db2.gz NBCQJTBARFIUPX-UHFFFAOYSA-N 1 0 280.371 3.112 20 10 CGCDRO C[C@@]1([NH2+]Cc2ccc(N3CCCCC3)cc2)CCCOC1 ZINC000221342096 637729712 /nfs/dbraw/zinc/72/97/12/637729712.db2.gz MBFURFQQYRZDAP-GOSISDBHSA-N 1 0 288.435 3.336 20 10 CGCDRO C[NH2+]C[C@H](C)N[C@H](CCc1ccccc1)c1ccccc1O ZINC000854232235 638029849 /nfs/dbraw/zinc/02/98/49/638029849.db2.gz OIVFPKSESFRQNV-MAUKXSAKSA-N 1 0 298.430 3.264 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1cccnc1 ZINC000113314284 638185172 /nfs/dbraw/zinc/18/51/72/638185172.db2.gz NHHJQANQDDSURG-LBPRGKRZSA-N 1 0 273.355 3.138 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cc(O)cc(F)c1 ZINC000924900769 638422434 /nfs/dbraw/zinc/42/24/34/638422434.db2.gz PAOSNNHQIWIZJH-LLVKDONJSA-N 1 0 287.334 3.317 20 10 CGCDRO CCCN(Cc1cncc(OCC)c1)c1ccc(C[NH3+])cc1 ZINC000857039749 638437492 /nfs/dbraw/zinc/43/74/92/638437492.db2.gz HTFRILRSFJLVDB-UHFFFAOYSA-N 1 0 299.418 3.356 20 10 CGCDRO COc1cccc(C[NH+]2CC(Cc3ccsc3)C2)c1O ZINC000857068457 638449300 /nfs/dbraw/zinc/44/93/00/638449300.db2.gz VNUGCCQPEQEUSH-UHFFFAOYSA-N 1 0 289.400 3.137 20 10 CGCDRO CN(C)c1ccc(C[NH+]2CC(Cc3ccsc3)C2)cc1 ZINC000857067685 638449814 /nfs/dbraw/zinc/44/98/14/638449814.db2.gz DMQNMUKKMAUAOM-UHFFFAOYSA-N 1 0 286.444 3.489 20 10 CGCDRO C[C@@H]([NH2+]CC1CC(C)C1)c1ccc(N2CCOCC2)cc1 ZINC000857084295 638455499 /nfs/dbraw/zinc/45/54/99/638455499.db2.gz LUIRBAILFJIOKM-HWOWSKLDSA-N 1 0 288.435 3.220 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@@H]1C[C@H]1C1CC1 ZINC000858088724 638624360 /nfs/dbraw/zinc/62/43/60/638624360.db2.gz PHNHTVPFFWVUHP-ZLIFDBKOSA-N 1 0 258.409 3.277 20 10 CGCDRO C[C@H]1C[C@H]([NH2+]Cc2cc(F)c(N(C)C)cc2F)CS1 ZINC000858176619 638649913 /nfs/dbraw/zinc/64/99/13/638649913.db2.gz CWWODVBZOQKOTG-ONGXEEELSA-N 1 0 286.391 3.014 20 10 CGCDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)cc1F ZINC000858185376 638652002 /nfs/dbraw/zinc/65/20/02/638652002.db2.gz VCDQIHBMYVOMHW-NQBHXWOUSA-N 1 0 280.362 3.309 20 10 CGCDRO CCC[C@@H](C[NH2+]Cc1cc(C)c(C)cc1O)OCC ZINC000858209909 638657002 /nfs/dbraw/zinc/65/70/02/638657002.db2.gz CIYRQTRXGNGIRA-HNNXBMFYSA-N 1 0 265.397 3.304 20 10 CGCDRO Cc1cccc2c1C[C@H]([NH2+][C@@H](C)c1ccccc1O)CO2 ZINC000858463142 638726068 /nfs/dbraw/zinc/72/60/68/638726068.db2.gz VCINTNOUJJXFFV-KBPBESRZSA-N 1 0 283.371 3.355 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccc(Cl)cc1[O-] ZINC000858491659 638741372 /nfs/dbraw/zinc/74/13/72/638741372.db2.gz MTIKUDJLTKDUFD-CHWSQXEVSA-N 1 0 296.842 3.428 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc[nH]c1=O)c1ccc(N(C)C)cc1 ZINC000858563749 638762275 /nfs/dbraw/zinc/76/22/75/638762275.db2.gz ZBJRAEMNLWAVOP-INIZCTEOSA-N 1 0 285.391 3.094 20 10 CGCDRO CC[C@@H]([NH2+]C[C@]1(C)CCCCO1)c1ccccc1O ZINC000927017054 638831832 /nfs/dbraw/zinc/83/18/32/638831832.db2.gz IEHBLWCKNVAVJF-ZBFHGGJFSA-N 1 0 263.381 3.392 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cccc(O)c32)CCS1 ZINC000927025603 638833410 /nfs/dbraw/zinc/83/34/10/638833410.db2.gz COGQBUPZBSFBLY-KGYLQXTDSA-N 1 0 263.406 3.253 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+][C@H](C1CC1)[C@H]1CCCOC1)CC2 ZINC000927065080 638837015 /nfs/dbraw/zinc/83/70/15/638837015.db2.gz DVGKGLKGRZHMSI-HDMKZQKVSA-N 1 0 287.403 3.174 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](c2cnn(C)c2)C(C)C)c1 ZINC000927068531 638837704 /nfs/dbraw/zinc/83/77/04/638837704.db2.gz JWUVATDBOZCFEX-GUYCJALGSA-N 1 0 287.407 3.482 20 10 CGCDRO CO[C@H]1C[C@@H](C[NH2+][C@H](C)c2ccc(C)c(C)c2O)C1 ZINC000858592871 638998818 /nfs/dbraw/zinc/99/88/18/638998818.db2.gz NBLLGJWKZCMSOD-MCIONIFRSA-N 1 0 263.381 3.085 20 10 CGCDRO CO[C@H]1C[C@@H](C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)C1 ZINC000858592872 638998917 /nfs/dbraw/zinc/99/89/17/638998917.db2.gz NBLLGJWKZCMSOD-MELADBBJSA-N 1 0 263.381 3.085 20 10 CGCDRO CC[C@H]([NH2+]C[C@H]1C[C@@H](OC)C1)c1ccc(C)cc1O ZINC000858593041 638999135 /nfs/dbraw/zinc/99/91/35/638999135.db2.gz REYPEWOZNCELRO-GUTXKFCHSA-N 1 0 263.381 3.166 20 10 CGCDRO COC1CC(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)C1 ZINC000859081939 639073560 /nfs/dbraw/zinc/07/35/60/639073560.db2.gz MLSUVWGDDMWZNB-UHFFFAOYSA-N 1 0 288.435 3.142 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCOc2ccccc2)c(O)c1 ZINC000042895163 639922332 /nfs/dbraw/zinc/92/23/32/639922332.db2.gz NUNPPHXVUGAYCR-AWEZNQCLSA-N 1 0 271.360 3.430 20 10 CGCDRO Cc1cccc(OCC[NH2+][C@@H](C)c2ccccc2O)c1 ZINC000042896073 639922482 /nfs/dbraw/zinc/92/24/82/639922482.db2.gz OOVCNNSMNBPCCP-AWEZNQCLSA-N 1 0 271.360 3.430 20 10 CGCDRO COc1ccc(O)c(C[NH+]2CCc3ccccc3CC2)c1 ZINC000156049969 639962162 /nfs/dbraw/zinc/96/21/62/639962162.db2.gz YKNMFIYOWRLEMH-UHFFFAOYSA-N 1 0 283.371 3.002 20 10 CGCDRO CC[C@H]([NH2+]Cc1csc(N(C)C)n1)c1ccccc1O ZINC000156189659 639968773 /nfs/dbraw/zinc/96/87/73/639968773.db2.gz HSDMZFSKBHYCAC-ZDUSSCGKSA-N 1 0 291.420 3.156 20 10 CGCDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000158934639 640025864 /nfs/dbraw/zinc/02/58/64/640025864.db2.gz IQVMLARSVWXCTI-AWEZNQCLSA-N 1 0 292.398 3.037 20 10 CGCDRO CC[N@@H+](Cc1cc(OC)c(C)cc1O)CC(C)C ZINC000159845820 640071682 /nfs/dbraw/zinc/07/16/82/640071682.db2.gz NHHSZPQQCOXHFA-UHFFFAOYSA-N 1 0 251.370 3.187 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCC(C)(C)O2)c1 ZINC000187856866 640102052 /nfs/dbraw/zinc/10/20/52/640102052.db2.gz NOIMCQLJNOPQIV-YPMHNXCESA-N 1 0 279.380 3.009 20 10 CGCDRO Cc1cccc(C[C@@H](CO)[NH2+][C@H](C)c2cc(C)ccc2O)c1 ZINC000191605652 640322651 /nfs/dbraw/zinc/32/26/51/640322651.db2.gz UCYTYJDNGUIUBM-WBVHZDCISA-N 1 0 299.414 3.263 20 10 CGCDRO C[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000245689700 640631692 /nfs/dbraw/zinc/63/16/92/640631692.db2.gz BFOZMZKCTXYFQC-YRGRVCCFSA-N 1 0 289.375 3.274 20 10 CGCDRO COc1ccc(C[N@H+](C)Cc2ccccc2O)c(OC)c1 ZINC000091956426 640727060 /nfs/dbraw/zinc/72/70/60/640727060.db2.gz NQFQLNAGMYZYIO-UHFFFAOYSA-N 1 0 287.359 3.041 20 10 CGCDRO CCOc1ccc(O)c(C[N@H+]2C[C@@H](C)S[C@@H](C)C2)c1 ZINC000092541191 640739339 /nfs/dbraw/zinc/73/93/39/640739339.db2.gz KTEIDHYLMQEZGQ-TXEJJXNPSA-N 1 0 281.421 3.117 20 10 CGCDRO COc1cccc(C[N@H+](C)[C@H]2C[C@](C)(OC)C2(C)C)c1O ZINC000093871837 640784473 /nfs/dbraw/zinc/78/44/73/640784473.db2.gz RYPVKTRKERSEQE-YOEHRIQHSA-N 1 0 293.407 3.036 20 10 CGCDRO C[C@H](Cc1ccco1)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000094617300 640798960 /nfs/dbraw/zinc/79/89/60/640798960.db2.gz ORCHQJPCVMAFKA-MNOVXSKESA-N 1 0 263.312 3.406 20 10 CGCDRO C[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)C(C)(C)C ZINC000096610400 640834988 /nfs/dbraw/zinc/83/49/88/640834988.db2.gz DDAZBNRIVQHORP-HNNXBMFYSA-N 1 0 290.451 3.295 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2OC)c1 ZINC000279166662 641033486 /nfs/dbraw/zinc/03/34/86/641033486.db2.gz BWUORELRNWWERF-DJSGYFEHSA-N 1 0 279.380 3.009 20 10 CGCDRO c1cc2c(c(Nc3ccc4c(c3)CCCN4)c1)CC[NH2+]C2 ZINC001159547661 806119543 /nfs/dbraw/zinc/11/95/43/806119543.db2.gz FPOKLUNUWMDJEU-UHFFFAOYSA-N 1 0 279.387 3.434 20 10 CGCDRO Cc1[nH+]c(NCc2ccc(N)cc2)cc2[nH]ccc21 ZINC001162788037 806665654 /nfs/dbraw/zinc/66/56/54/806665654.db2.gz XPJIHGAYBLHMQW-UHFFFAOYSA-N 1 0 252.321 3.066 20 10 CGCDRO Cc1cccc(OCC[NH2+]Cc2ccc(N(C)C)cc2)c1 ZINC000032130148 798848632 /nfs/dbraw/zinc/84/86/32/798848632.db2.gz OKFQBTLANJFRME-UHFFFAOYSA-N 1 0 284.403 3.230 20 10 CGCDRO COc1ccc(C[NH+](C)C)cc1NCc1ccccc1O ZINC000036972080 798854446 /nfs/dbraw/zinc/85/44/46/798854446.db2.gz WCDVSWKFAMTNLK-UHFFFAOYSA-N 1 0 286.375 3.075 20 10 CGCDRO CCC(CC)[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)N(C)C ZINC000037362937 798866198 /nfs/dbraw/zinc/86/61/98/798866198.db2.gz QSBVGZFRMNBVIM-QGZVFWFLSA-N 1 0 290.451 3.078 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccc1O ZINC000037668304 798871259 /nfs/dbraw/zinc/87/12/59/798871259.db2.gz IOKZFGVHDLHUKV-NSHDSACASA-N 1 0 272.304 3.151 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2Cc3ccccc3O2)c(O)c1 ZINC000038009528 798882968 /nfs/dbraw/zinc/88/29/68/798882968.db2.gz MWAGHIDANKNMOC-UKRRQHHQSA-N 1 0 283.371 3.355 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1Cc2ccccc2O1)c1ccccc1O ZINC000038009480 798883513 /nfs/dbraw/zinc/88/35/13/798883513.db2.gz NNBNOYGIFJXRMY-JSGCOSHPSA-N 1 0 269.344 3.047 20 10 CGCDRO CCN(CC)C[C@@H](C)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000045692694 798890857 /nfs/dbraw/zinc/89/08/57/798890857.db2.gz YJRLVPHJVQRSET-MRXNPFEDSA-N 1 0 289.467 3.107 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2cccnc2OC(C)C)c1 ZINC000071408315 798917464 /nfs/dbraw/zinc/91/74/64/798917464.db2.gz XPGASZGIAQPPPI-UHFFFAOYSA-N 1 0 286.375 3.173 20 10 CGCDRO COc1ccc(C[NH2+]C[C@@H](C)C(C)(C)C)c(O)c1 ZINC000096610166 798972974 /nfs/dbraw/zinc/97/29/74/798972974.db2.gz KSHHQQRPZBZZRG-LLVKDONJSA-N 1 0 251.370 3.173 20 10 CGCDRO Cc1cc(O)c(C[N@H+](C)C[C@H]2CCCCO2)cc1C ZINC000125349684 799001449 /nfs/dbraw/zinc/00/14/49/799001449.db2.gz HPAQPZLOSWHZSC-OAHLLOKOSA-N 1 0 263.381 3.010 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccccc1O)c1ccc2c(c1)CCO2 ZINC000134231587 799035983 /nfs/dbraw/zinc/03/59/83/799035983.db2.gz IYSYROATNYWAPM-GFCCVEGCSA-N 1 0 269.344 3.178 20 10 CGCDRO COc1ccccc1C[C@H](C)[N@H+](C)Cc1ccccc1O ZINC000156040442 799065453 /nfs/dbraw/zinc/06/54/53/799065453.db2.gz IKRCNILHQMIHLP-AWEZNQCLSA-N 1 0 285.387 3.464 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H](CO)Cc2ccccc2C)cc1C ZINC000188931971 799120551 /nfs/dbraw/zinc/12/05/51/799120551.db2.gz YQTVFWMHGIQBFZ-SFHVURJKSA-N 1 0 299.414 3.011 20 10 CGCDRO c1cc(N2CCOCC2)ccc1C[NH2+]CC1=CCCCC1 ZINC000379582600 799351084 /nfs/dbraw/zinc/35/10/84/799351084.db2.gz PCWVATBPINBMAY-UHFFFAOYSA-N 1 0 286.419 3.113 20 10 CGCDRO COc1ccc(C[NH2+]Cc2csc(C)c2)c(O)c1 ZINC000381121767 799373379 /nfs/dbraw/zinc/37/33/79/799373379.db2.gz FIAMNBYHFYTCHR-UHFFFAOYSA-N 1 0 263.362 3.061 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@@H]1Cc3ccccc31)CC2 ZINC000381211475 799374296 /nfs/dbraw/zinc/37/42/96/799374296.db2.gz VEQXEOXGAHSJOX-HOCLYGCPSA-N 1 0 265.356 3.309 20 10 CGCDRO CC[C@H](C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2C)OC ZINC000381980593 799391787 /nfs/dbraw/zinc/39/17/87/799391787.db2.gz IIKMETAXCFYYGF-UPJWGTAASA-N 1 0 263.381 3.264 20 10 CGCDRO Cc1csc(C[NH2+]Cc2cc(F)ccc2O)c1 ZINC000382291431 799395321 /nfs/dbraw/zinc/39/53/21/799395321.db2.gz MWTRCVCMHHGLRG-UHFFFAOYSA-N 1 0 251.326 3.191 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](CO)C2CCCCC2)c1 ZINC000386257083 799433870 /nfs/dbraw/zinc/43/38/70/799433870.db2.gz LZYBYBIBSYHSBB-XJKSGUPXSA-N 1 0 277.408 3.292 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](CO)C2CCCCC2)c(O)c1 ZINC000386300529 799434651 /nfs/dbraw/zinc/43/46/51/799434651.db2.gz VJYVIEXYARUCBW-CJNGLKHVSA-N 1 0 277.408 3.292 20 10 CGCDRO CN1CCCc2cc(C[NH2+][C@@H]3CCC3(C)C)ccc21 ZINC000389188927 799461007 /nfs/dbraw/zinc/46/10/07/799461007.db2.gz NNVIQARDSPIPQJ-MRXNPFEDSA-N 1 0 258.409 3.347 20 10 CGCDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1ccnc(C)c1 ZINC000391165788 799476992 /nfs/dbraw/zinc/47/69/92/799476992.db2.gz WFAHIOJJIRFFAM-UHFFFAOYSA-N 1 0 279.387 3.480 20 10 CGCDRO Cc1cc(Br)cc(C[NH2+][C@@H]2CC[C@@H]2C)c1O ZINC000393792256 799491084 /nfs/dbraw/zinc/49/10/84/799491084.db2.gz HQYAHVBLYRWXCY-QPUJVOFHSA-N 1 0 284.197 3.351 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H]2CC(C)C)c1 ZINC000396927829 799510987 /nfs/dbraw/zinc/51/09/87/799510987.db2.gz VYUPLZWUUVTNMZ-CQSZACIVSA-N 1 0 263.381 3.411 20 10 CGCDRO Oc1ccc(Br)cc1C[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000397844880 799521858 /nfs/dbraw/zinc/52/18/58/799521858.db2.gz XLPAQAIEFZYYPW-BZBKMWRSSA-N 1 0 282.181 3.043 20 10 CGCDRO CCOc1cccc(C[N@@H+]2C[C@H](C)[C@@H](C)[C@H]2C)c1O ZINC000399625468 799539778 /nfs/dbraw/zinc/53/97/78/799539778.db2.gz SOEAILJQPCQSSJ-YNEHKIRRSA-N 1 0 263.381 3.267 20 10 CGCDRO CCOc1cccc(C[N@@H+]2C[C@@H](CC)OC[C@@H]2CC)c1O ZINC000403906015 799572422 /nfs/dbraw/zinc/57/24/22/799572422.db2.gz WWPGRYCSRWKPEE-LSDHHAIUSA-N 1 0 293.407 3.180 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2C[C@H](C)O[C@H]2C)c1 ZINC000686509277 799734343 /nfs/dbraw/zinc/73/43/43/799734343.db2.gz QJVALYFUHJNVKD-XUXIUFHCSA-N 1 0 263.381 3.165 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[C@@H](C)O2)c(O)c1 ZINC000688880228 799756857 /nfs/dbraw/zinc/75/68/57/799756857.db2.gz UXKZGGIGAKSGHY-HZSPNIEDSA-N 1 0 263.381 3.309 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@H]2CCC[C@H](C)O2)c1O ZINC000688885253 799757780 /nfs/dbraw/zinc/75/77/80/799757780.db2.gz SXCLTNISNOOJJT-SWLSCSKDSA-N 1 0 263.381 3.002 20 10 CGCDRO C[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)ccc2O)CS1 ZINC000689641169 799767501 /nfs/dbraw/zinc/76/75/01/799767501.db2.gz JXJSWQIOGCYXLA-SKDRFNHKSA-N 1 0 271.813 3.419 20 10 CGCDRO CCc1cccc(C[NH2+]CCN(C(C)C)C(C)C)c1O ZINC000691464852 799784246 /nfs/dbraw/zinc/78/42/46/799784246.db2.gz KROTYQLINMZIJJ-UHFFFAOYSA-N 1 0 278.440 3.163 20 10 CGCDRO CCc1cccc(C[NH2+][C@H](C)c2cccnc2)c1O ZINC000691505360 799785679 /nfs/dbraw/zinc/78/56/79/799785679.db2.gz LVGABWSZZOOKBT-GFCCVEGCSA-N 1 0 256.349 3.200 20 10 CGCDRO CC1(C)CC[C@H](C[NH2+]Cc2c(O)cccc2Cl)O1 ZINC000691796076 799787008 /nfs/dbraw/zinc/78/70/08/799787008.db2.gz DUAKIFJKXFIWIK-SNVBAGLBSA-N 1 0 269.772 3.093 20 10 CGCDRO CCc1cccc(C[N@H+](C)CCCOC(C)C)c1O ZINC000692108400 799790965 /nfs/dbraw/zinc/79/09/65/799790965.db2.gz VZQYRQPAFWTVGV-UHFFFAOYSA-N 1 0 265.397 3.202 20 10 CGCDRO C[C@H](C[NH2+][C@H](C)c1cc(F)ccc1O)c1ccccn1 ZINC000692694670 799796707 /nfs/dbraw/zinc/79/67/07/799796707.db2.gz HLFORFYSYRYEKG-VXGBXAGGSA-N 1 0 274.339 3.381 20 10 CGCDRO CCOc1cccc(C[NH2+]CCC2SCCS2)c1O ZINC000693775471 799814225 /nfs/dbraw/zinc/81/42/25/799814225.db2.gz DVRSFCUOMUTIKM-UHFFFAOYSA-N 1 0 299.461 3.077 20 10 CGCDRO CCOc1cccc(C[NH2+]C[C@@H]2CCC[C@@H]3C[C@@H]32)c1O ZINC000694253306 799820391 /nfs/dbraw/zinc/82/03/91/799820391.db2.gz FAUUPHLNWKZEKJ-IPYPFGDCSA-N 1 0 275.392 3.317 20 10 CGCDRO COc1cccc(C[NH2+][C@@H]2CCCC(F)(F)C2)c1O ZINC000695126947 799826793 /nfs/dbraw/zinc/82/67/93/799826793.db2.gz PBYADEQFXPMVJA-LLVKDONJSA-N 1 0 271.307 3.068 20 10 CGCDRO CC[C@H](C)CC[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000696182489 799838511 /nfs/dbraw/zinc/83/85/11/799838511.db2.gz RPDOTQWIFAFLOU-NWDGAFQWSA-N 1 0 251.370 3.488 20 10 CGCDRO COC[C@H]1CCC[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC000696570672 799841692 /nfs/dbraw/zinc/84/16/92/799841692.db2.gz FTHABJSDIWSKPN-CQSZACIVSA-N 1 0 271.360 3.156 20 10 CGCDRO C[C@@H]([NH2+]CCSCC(F)(F)F)c1ccccc1O ZINC000698884506 799857692 /nfs/dbraw/zinc/85/76/92/799857692.db2.gz LBOKNIUWDRRTJT-SECBINFHSA-N 1 0 279.327 3.338 20 10 CGCDRO Oc1cc(Br)ccc1C[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000698949425 799858444 /nfs/dbraw/zinc/85/84/44/799858444.db2.gz JGSBTBYOQPPAFE-AAEUAGOBSA-N 1 0 296.208 3.290 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]Cc1cccc2c1OCC2 ZINC000703061468 799919346 /nfs/dbraw/zinc/91/93/46/799919346.db2.gz XYUOHNGGQCMEEK-UHFFFAOYSA-N 1 0 289.762 3.270 20 10 CGCDRO CC(C)OC1CCC([NH2+]Cc2cccc(F)c2[O-])CC1 ZINC000703802072 799929797 /nfs/dbraw/zinc/92/97/97/799929797.db2.gz NERKBMXCXVKONP-UHFFFAOYSA-N 1 0 281.371 3.357 20 10 CGCDRO CCOC1CCC([NH2+][C@H](C)c2ccccc2O)CC1 ZINC000703808682 799930370 /nfs/dbraw/zinc/93/03/70/799930370.db2.gz REFFAYRCYFTKJB-IYXRBSQSSA-N 1 0 263.381 3.391 20 10 CGCDRO CCC[C@H](C[NH2+]Cc1cccc(CC)c1O)OCC ZINC000705386120 799947914 /nfs/dbraw/zinc/94/79/14/799947914.db2.gz VFUQYCCXBMRMOB-OAHLLOKOSA-N 1 0 265.397 3.249 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2cc(F)cc(F)c2[O-])C[C@H]1C ZINC000708424644 799989256 /nfs/dbraw/zinc/98/92/56/799989256.db2.gz ZBLQKABDBNZXQY-NXEZZACHSA-N 1 0 255.308 3.148 20 10 CGCDRO CCC[C@H]1CCC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000708478715 799990108 /nfs/dbraw/zinc/99/01/08/799990108.db2.gz FPLRRMGPMHZDCP-ZDUSSCGKSA-N 1 0 263.381 3.413 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H]3CCCC[C@@H]32)c(O)c1 ZINC000712524995 800091651 /nfs/dbraw/zinc/09/16/51/800091651.db2.gz LRQFAYKOGIIZEH-CQDKDKBSSA-N 1 0 261.365 3.069 20 10 CGCDRO CO[C@@H]1C[C@@H]([NH2+][C@H](C)c2cc(C)ccc2O)C12CCC2 ZINC000713481873 800110653 /nfs/dbraw/zinc/11/06/53/800110653.db2.gz ZFPBTVFGOLJLES-DAXOMENPSA-N 1 0 275.392 3.309 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)cc1 ZINC001256015074 806804910 /nfs/dbraw/zinc/80/49/10/806804910.db2.gz CHVPDQCWRZPQQC-FUHWJXTLSA-N 1 0 288.435 3.144 20 10 CGCDRO CCc1cccc(C[NH2+]CC[C@@H]2CCCS2)c1O ZINC000715667163 800142719 /nfs/dbraw/zinc/14/27/19/800142719.db2.gz KSVOWDVQUSRCGR-AWEZNQCLSA-N 1 0 265.422 3.330 20 10 CGCDRO C[C@@H]([NH2+]Cc1cc(Cl)ccc1O)c1ccns1 ZINC000716034221 800161708 /nfs/dbraw/zinc/16/17/08/800161708.db2.gz QBCHKMIXALBOTG-MRVPVSSYSA-N 1 0 268.769 3.353 20 10 CGCDRO c1cc(C[NH2+]CC[C@@H]2CC[C@H]3C[C@H]32)cc2c1OCC2 ZINC000717046341 800190520 /nfs/dbraw/zinc/19/05/20/800190520.db2.gz HBZNHZBRLUVMHN-DZKIICNBSA-N 1 0 257.377 3.147 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CC1(CO)CCC1 ZINC000717632010 800205031 /nfs/dbraw/zinc/20/50/31/800205031.db2.gz IOMIFEYLIIMZJQ-OLZOCXBDSA-N 1 0 275.392 3.001 20 10 CGCDRO CO[C@H]1CCC[C@H]([NH2+]Cc2ccc(N(C)C)cc2)CC1 ZINC000718856328 800226034 /nfs/dbraw/zinc/22/60/34/800226034.db2.gz CCUFQEBOCMZPRA-RDJZCZTQSA-N 1 0 276.424 3.190 20 10 CGCDRO COC(C)(C)[C@@H](C)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000720245186 800254704 /nfs/dbraw/zinc/25/47/04/800254704.db2.gz CLYLMAWZAUIRKM-CQSZACIVSA-N 1 0 276.424 3.190 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)c1cc(F)ccc1O)[C@H]1CCCOC1 ZINC000724011056 800352220 /nfs/dbraw/zinc/35/22/20/800352220.db2.gz KBVJETYKMTVODV-XUJVJEKNSA-N 1 0 281.371 3.387 20 10 CGCDRO COc1cc(C)cc(C[NH2+]C2(CC(C)C)CC2)c1O ZINC000895335495 800582049 /nfs/dbraw/zinc/58/20/49/800582049.db2.gz OQYJHZLONYYWHM-UHFFFAOYSA-N 1 0 263.381 3.378 20 10 CGCDRO Oc1cccc(C[NH2+][C@H]2CCO[C@@H](c3ccccc3)C2)c1O ZINC001256791636 806979171 /nfs/dbraw/zinc/97/91/71/806979171.db2.gz BXXYKLBUCSURKB-DOTOQJQBSA-N 1 0 299.370 3.108 20 10 CGCDRO CC(C)(CF)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001116627268 802387534 /nfs/dbraw/zinc/38/75/34/802387534.db2.gz KTDBIRODSQJNQP-UHFFFAOYSA-N 1 0 250.361 3.125 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CCn2ccnc21 ZINC001117831313 802505338 /nfs/dbraw/zinc/50/53/38/802505338.db2.gz MGAOOVGHIBQNPL-UPJWGTAASA-N 1 0 283.375 3.180 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2CC[C@](CO)(C(C)C)C2)c(Cl)c1 ZINC001118012066 802519194 /nfs/dbraw/zinc/51/91/94/802519194.db2.gz MFDAADDVQORZJX-INIZCTEOSA-N 1 0 297.826 3.194 20 10 CGCDRO C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC001118122739 802526758 /nfs/dbraw/zinc/52/67/58/802526758.db2.gz ZVGVYVKCINHLLB-RKDXNWHRSA-N 1 0 291.222 3.205 20 10 CGCDRO COc1cc(C)cc(C[NH2+]C(C)(C)c2nccs2)c1O ZINC001119510468 802674709 /nfs/dbraw/zinc/67/47/09/802674709.db2.gz SSLYBIBJSBIAKF-UHFFFAOYSA-N 1 0 292.404 3.191 20 10 CGCDRO Nc1ccc(C[N@@H+](Cc2cccc(O)c2)CC2CC2)cc1 ZINC001120263768 802737553 /nfs/dbraw/zinc/73/75/53/802737553.db2.gz UUYYRUBSODGZPT-UHFFFAOYSA-N 1 0 282.387 3.387 20 10 CGCDRO Cc1ccc(NCc2ccc(N)cc2)c(C[NH+](C)C)c1 ZINC001120371042 802742536 /nfs/dbraw/zinc/74/25/36/802742536.db2.gz NMMMRSAOZXDXAU-UHFFFAOYSA-N 1 0 269.392 3.251 20 10 CGCDRO Cc1cc(C[N@H+]2C[C@H](O)CC[C@H]2C)c(C)n1-c1ccccc1 ZINC001137854404 803785663 /nfs/dbraw/zinc/78/56/63/803785663.db2.gz UZKSUHPBKNXTJP-AUUYWEPGSA-N 1 0 298.430 3.439 20 10 CGCDRO COC[C@H]1CC[N@@H+]1Cc1cc(C)n(-c2ccccc2)c1C ZINC001137859430 803788090 /nfs/dbraw/zinc/78/80/90/803788090.db2.gz XYOWAPUZLKMFDP-GOSISDBHSA-N 1 0 284.403 3.315 20 10 CGCDRO COc1ccc(F)c(C[N@@H+]2CCc3cccc(O)c3C2)c1 ZINC001137997232 803817311 /nfs/dbraw/zinc/81/73/11/803817311.db2.gz BXSOFWYHSXLFSV-UHFFFAOYSA-N 1 0 287.334 3.098 20 10 CGCDRO c1cc(N2CCCCC2)ccc1C[N@@H+]1CC[C@]12CCOC2 ZINC001138222425 803874268 /nfs/dbraw/zinc/87/42/68/803874268.db2.gz XJIMXPBJVGKBKG-GOSISDBHSA-N 1 0 286.419 3.042 20 10 CGCDRO CC1CC[NH+](Cc2ccc3c(c2)CCCN3C)CC1 ZINC001138353538 803901318 /nfs/dbraw/zinc/90/13/18/803901318.db2.gz FGSGEQLRDNBOGH-UHFFFAOYSA-N 1 0 258.409 3.301 20 10 CGCDRO CN1CCCc2cc(C[N@@H+]3CC[C@]4(CC4(F)F)C3)ccc21 ZINC001138358766 803902323 /nfs/dbraw/zinc/90/23/23/803902323.db2.gz ZLXJAOMDXJHKRM-INIZCTEOSA-N 1 0 292.373 3.300 20 10 CGCDRO CC1(C)C[N@H+](Cc2cc(F)ccc2O)CCC1(F)F ZINC001140057673 804366301 /nfs/dbraw/zinc/36/63/01/804366301.db2.gz JOHNHGOQDGJCTK-UHFFFAOYSA-N 1 0 273.298 3.399 20 10 CGCDRO Oc1cc(Cl)ccc1CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001140464549 804441729 /nfs/dbraw/zinc/44/17/29/804441729.db2.gz ULUQFHISKIXDHV-OAHLLOKOSA-N 1 0 294.826 3.106 20 10 CGCDRO Oc1cc(Cl)ccc1C[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC001140467283 804442681 /nfs/dbraw/zinc/44/26/81/804442681.db2.gz UFSZUAQJGXJWGB-LBPRGKRZSA-N 1 0 288.778 3.430 20 10 CGCDRO CO[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2O)[C@H](C)C1 ZINC001140468604 804443071 /nfs/dbraw/zinc/44/30/71/804443071.db2.gz QGULFBUZMXDUMM-ZWNOBZJWSA-N 1 0 269.772 3.045 20 10 CGCDRO Oc1cc(Cl)ccc1C[NH+]1CCC2(CCOCC2)CC1 ZINC001140465831 804444232 /nfs/dbraw/zinc/44/42/32/804444232.db2.gz RNRHOFJCAWMIKM-UHFFFAOYSA-N 1 0 295.810 3.438 20 10 CGCDRO C[N@@H+](Cc1c([O-])cc(F)cc1F)C[C@H]1CC1(C)C ZINC001140584545 804468341 /nfs/dbraw/zinc/46/83/41/804468341.db2.gz WJPUXGXKQUWAHQ-SECBINFHSA-N 1 0 255.308 3.148 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@](C)(F)CC2)c1 ZINC001140617107 804476323 /nfs/dbraw/zinc/47/63/23/804476323.db2.gz FEHMCKQFQSTION-OAHLLOKOSA-N 1 0 251.345 3.415 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](Oc3ccncc3)C2)c1 ZINC001140624529 804478192 /nfs/dbraw/zinc/47/81/92/804478192.db2.gz ZWTFGCUSMLFODL-QGZVFWFLSA-N 1 0 298.386 3.139 20 10 CGCDRO Cc1ccc(O)c(C[N@H+]2CCC(=O)[C@@H](C)C23CCCC3)c1 ZINC001140624158 804478735 /nfs/dbraw/zinc/47/87/35/804478735.db2.gz IXTOXXDVFMHLSW-CQSZACIVSA-N 1 0 287.403 3.424 20 10 CGCDRO CCCC[N@H+](CCC)Cc1ccc(O)c(C)c1O ZINC001140745778 804503636 /nfs/dbraw/zinc/50/36/36/804503636.db2.gz NHHIHNXQANYFRX-UHFFFAOYSA-N 1 0 251.370 3.418 20 10 CGCDRO Cc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(O)c(C)c2O)cn1 ZINC001140747504 804503994 /nfs/dbraw/zinc/50/39/94/804503994.db2.gz CCVWZUQQUYSXBD-MRXNPFEDSA-N 1 0 298.386 3.447 20 10 CGCDRO Cc1c(O)ccc(C[N@H+]2Cc3ccccc3C[C@@H]2C)c1O ZINC001140747757 804504626 /nfs/dbraw/zinc/50/46/26/804504626.db2.gz LLYDZUFCLKOZJB-LBPRGKRZSA-N 1 0 283.371 3.353 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)C(C)C)c(O)c1 ZINC001140851930 804533222 /nfs/dbraw/zinc/53/32/22/804533222.db2.gz UVJUWWLVVOZWNJ-UHFFFAOYSA-N 1 0 250.386 3.079 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)C2CC(C)C2)c(O)c1 ZINC001140850343 804533766 /nfs/dbraw/zinc/53/37/66/804533766.db2.gz IYQBHNONXHCEPR-UHFFFAOYSA-N 1 0 276.424 3.469 20 10 CGCDRO Cc1ccc(C[N@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)c(O)c1 ZINC001140947751 804555407 /nfs/dbraw/zinc/55/54/07/804555407.db2.gz DHTGEHQMPDCWJF-BETUJISGSA-N 1 0 267.319 3.178 20 10 CGCDRO Cc1ccc(CN2CC[NH+](CC3CCCC3)CC2)c(O)c1 ZINC001140950185 804557923 /nfs/dbraw/zinc/55/79/23/804557923.db2.gz UNRBGVMSDHUDPS-UHFFFAOYSA-N 1 0 288.435 3.008 20 10 CGCDRO COc1cc(O)c(C[NH+]2CC3CCC(CC3)C2)c(OC)c1 ZINC001141030790 804575628 /nfs/dbraw/zinc/57/56/28/804575628.db2.gz LDICOYBQEKWZMZ-UHFFFAOYSA-N 1 0 291.391 3.031 20 10 CGCDRO C[C@H]1CCC[N@H+](Cc2ccc3c(c2)OCCN3C)C[C@H]1C ZINC001141140444 804597304 /nfs/dbraw/zinc/59/73/04/804597304.db2.gz MFVPKSMVVXWCCK-LSDHHAIUSA-N 1 0 288.435 3.383 20 10 CGCDRO COc1ccc([C@@H](C)[N@H+](C)Cc2cc(O)ccc2O)cc1 ZINC001141159184 804599828 /nfs/dbraw/zinc/59/98/28/804599828.db2.gz ASPWYCWCFXGJIA-GFCCVEGCSA-N 1 0 287.359 3.299 20 10 CGCDRO C[N@H+](Cc1cc(O)ccc1O)C12CC3CC(CC(C3)C1)C2 ZINC001141158743 804600009 /nfs/dbraw/zinc/60/00/09/804600009.db2.gz LYVDJGBFMHOWBU-UHFFFAOYSA-N 1 0 287.403 3.498 20 10 CGCDRO Oc1ccc(O)c(C[N@@H+]2CCC[C@@H](Oc3ccccc3)C2)c1 ZINC001141159089 804600471 /nfs/dbraw/zinc/60/04/71/804600471.db2.gz YMQXEKMXRZQQKL-QGZVFWFLSA-N 1 0 299.370 3.141 20 10 CGCDRO COc1ccc([C@@H]2CC[N@H+](Cc3cc(O)ccc3O)C2)cc1 ZINC001141161728 804601722 /nfs/dbraw/zinc/60/17/22/804601722.db2.gz VPFTWOQPMRJGIM-CQSZACIVSA-N 1 0 299.370 3.096 20 10 CGCDRO Oc1ccc(O)c(C[N@H+](Cc2ccccc2)C2CC2)c1 ZINC001141160550 804602252 /nfs/dbraw/zinc/60/22/52/804602252.db2.gz DYKRIEKWGJKBCJ-UHFFFAOYSA-N 1 0 269.344 3.262 20 10 CGCDRO CC[N@H+](Cc1cccc(C(C)(C)C)c1O)CC(C)(C)O ZINC001143112103 804803891 /nfs/dbraw/zinc/80/38/91/804803891.db2.gz KRCMCLMIPABWSE-UHFFFAOYSA-N 1 0 279.424 3.283 20 10 CGCDRO CC(C)(C)c1cc(O)c(C[N@@H+]2CCC[C@H](O)C2)cc1Cl ZINC001248880827 805032062 /nfs/dbraw/zinc/03/20/62/805032062.db2.gz NNQPMVAWNGSNNJ-LBPRGKRZSA-N 1 0 297.826 3.300 20 10 CGCDRO CCCC[N@H+](CCC)Cc1ccc(CC(=O)OC)cc1O ZINC001249201362 805111944 /nfs/dbraw/zinc/11/19/44/805111944.db2.gz PPZZMMNKXUXOAY-UHFFFAOYSA-N 1 0 293.407 3.120 20 10 CGCDRO C[N@H+](Cc1ccc2c(c1O)C=CC(C)(C)O2)C1CC1 ZINC001249223602 805114780 /nfs/dbraw/zinc/11/47/80/805114780.db2.gz JGFBRANHANZYNH-UHFFFAOYSA-N 1 0 259.349 3.171 20 10 CGCDRO CC1(C)C=Cc2c(O)c(C[N@@H+]3CC[C@H](F)C3)ccc2O1 ZINC001249223223 805114995 /nfs/dbraw/zinc/11/49/95/805114995.db2.gz BRHBVXVQJXYLLY-LBPRGKRZSA-N 1 0 277.339 3.120 20 10 CGCDRO Cc1cc(C[N@H+]2CC[C@H]2C)c(O)cc1Br ZINC001250120454 805427859 /nfs/dbraw/zinc/42/78/59/805427859.db2.gz DWPFKLWJXOKJPF-SECBINFHSA-N 1 0 270.170 3.057 20 10 CGCDRO c1ccc(N2CC=C(CC[NH+]3CCCC3)CC2)cc1 ZINC001250166351 805455014 /nfs/dbraw/zinc/45/50/14/805455014.db2.gz LHPCKBFXWIJZBS-UHFFFAOYSA-N 1 0 256.393 3.309 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)[C@H]2CCCSC2)cc1 ZINC001257684536 807215311 /nfs/dbraw/zinc/21/53/11/807215311.db2.gz UWVZYARCVZWGOF-HNNXBMFYSA-N 1 0 264.438 3.080 20 10 CGCDRO CCCC[C@@H](CCC)[NH2+]CCc1cc(O)c(O)cc1O ZINC001258755468 807595406 /nfs/dbraw/zinc/59/54/06/807595406.db2.gz OZYXUOMIXCMQIA-CYBMUJFWSA-N 1 0 281.396 3.294 20 10 CGCDRO CCCC[C@H](CCC)[NH2+]CCc1cc(O)c(O)cc1O ZINC001258755469 807595639 /nfs/dbraw/zinc/59/56/39/807595639.db2.gz OZYXUOMIXCMQIA-ZDUSSCGKSA-N 1 0 281.396 3.294 20 10 CGCDRO CC(C)C1CCC([NH2+]CC(=O)c2ccc(O)c(O)c2)CC1 ZINC001258801342 807622450 /nfs/dbraw/zinc/62/24/50/807622450.db2.gz VBQHTAFUBCBVBA-UHFFFAOYSA-N 1 0 291.391 3.085 20 10 CGCDRO CC(C)CC(CC(C)C)[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC001258832048 807646728 /nfs/dbraw/zinc/64/67/28/807646728.db2.gz BEIXNLDQPFYUDO-UHFFFAOYSA-N 1 0 293.407 3.331 20 10 CGCDRO COc1ccc(N(C)C(C)(C)C[NH3+])c2ccccc12 ZINC001170058728 807743265 /nfs/dbraw/zinc/74/32/65/807743265.db2.gz CAGNECJXSOPIDO-UHFFFAOYSA-N 1 0 258.365 3.022 20 10 CGCDRO CC(C)CCC[C@@H](C)[NH2+]CCc1ccc(O)c(O)c1 ZINC001170061695 807744573 /nfs/dbraw/zinc/74/45/73/807744573.db2.gz ZTMOUUBFKMJDPD-CYBMUJFWSA-N 1 0 265.397 3.445 20 10 CGCDRO CC(C)CCC[C@@H](C)[NH2+]CCc1cc(O)c(O)cc1O ZINC001170061575 807744865 /nfs/dbraw/zinc/74/48/65/807744865.db2.gz VBHZNVCNMQUJKM-GFCCVEGCSA-N 1 0 281.396 3.150 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCC[C@@H](F)C2)c1 ZINC001261481931 807748819 /nfs/dbraw/zinc/74/88/19/807748819.db2.gz VFYSQUQZLDABCP-TUAOUCFPSA-N 1 0 267.344 3.332 20 10 CGCDRO CCc1cccc(CN2CCC([NH+](CC)CC)CC2)c1O ZINC001261559377 807758395 /nfs/dbraw/zinc/75/83/95/807758395.db2.gz JSNZRLJEYMLORA-UHFFFAOYSA-N 1 0 290.451 3.261 20 10 CGCDRO CC[C@H]1C[C@@H]([NH2+]Cc2c(C)cc(C)cc2O)CCO1 ZINC001170184972 807788080 /nfs/dbraw/zinc/78/80/80/807788080.db2.gz ZHHNRKJYHBBQQS-KBPBESRZSA-N 1 0 263.381 3.056 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(NCC[C@@H](C)[NH3+])cc1 ZINC001170891087 807927261 /nfs/dbraw/zinc/92/72/61/807927261.db2.gz NVMLRZMQMCVBJI-GFCCVEGCSA-N 1 0 257.381 3.243 20 10 CGCDRO Oc1cccc2c1C[N@@H+]([C@@H]1CCc3cccc(F)c3C1)CC2 ZINC001171005934 807958393 /nfs/dbraw/zinc/95/83/93/807958393.db2.gz UBESJGJVHQVZNP-OAHLLOKOSA-N 1 0 297.373 3.447 20 10 CGCDRO Cc1cccc2c1CC[C@@H]([NH2+]CCc1ccc(O)c(O)c1)C2 ZINC001171553097 808093158 /nfs/dbraw/zinc/09/31/58/808093158.db2.gz LZGAWDMPZUHTDM-MRXNPFEDSA-N 1 0 297.398 3.096 20 10 CGCDRO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)O2)c1ccc(N(C)C)cc1 ZINC001172221050 808201287 /nfs/dbraw/zinc/20/12/87/808201287.db2.gz SDWPEGSRKVXXPE-IICXIOTHSA-N 1 0 274.408 3.113 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H](C)CCOCC(C)C)c1O ZINC001172463665 808333500 /nfs/dbraw/zinc/33/35/00/808333500.db2.gz QQNFCLQTZBBSIO-AWEZNQCLSA-N 1 0 265.397 3.241 20 10 CGCDRO COC(=O)CCCC[C@@H](C)[NH2+][C@H](C)c1ccccc1O ZINC001173440964 808636059 /nfs/dbraw/zinc/63/60/59/808636059.db2.gz KYJTWYFGKMAXLH-CHWSQXEVSA-N 1 0 279.380 3.165 20 10 CGCDRO Cc1c[nH+]ccc1Nc1cc(Br)ccc1O ZINC001174537486 809069142 /nfs/dbraw/zinc/06/91/42/809069142.db2.gz HMLZYUITGIZNBO-UHFFFAOYSA-N 1 0 279.137 3.024 20 10 CGCDRO C[C@H](CCc1cccn1C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC001177854915 809826259 /nfs/dbraw/zinc/82/62/59/809826259.db2.gz DXRJOCWVVQHJID-CQSZACIVSA-N 1 0 284.403 3.071 20 10 CGCDRO CC[NH+](CC)C[C@@H]1CCN(Cc2ccc(Cl)cc2O)C1 ZINC001180057807 809969733 /nfs/dbraw/zinc/96/97/33/809969733.db2.gz IWOXMFKBPCGSIU-ZDUSSCGKSA-N 1 0 296.842 3.209 20 10 CGCDRO CO[C@H](C)[C@H](C)[NH2+]Cc1cc(C(C)C)ccc1O ZINC001180906573 810027162 /nfs/dbraw/zinc/02/71/62/810027162.db2.gz NFKAQWPAORATPS-NWDGAFQWSA-N 1 0 251.370 3.029 20 10 CGCDRO CCC[C@]1(CO)CCC[N@@H+]1Cc1ccc(Cl)cc1O ZINC001181335720 810047502 /nfs/dbraw/zinc/04/75/02/810047502.db2.gz FLDGFDSBKWZSIY-OAHLLOKOSA-N 1 0 283.799 3.173 20 10 CGCDRO CC(C)[C@@H]([NH2+]Cc1ccc(Cl)cc1O)[C@@H](CO)C(C)C ZINC001181893756 810081567 /nfs/dbraw/zinc/08/15/67/810081567.db2.gz TYEDFLZSZBGHNX-GOEBONIOSA-N 1 0 299.842 3.424 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H](C(C)C)[C@@H](CO)C(C)C)c(O)c1 ZINC001181894245 810081627 /nfs/dbraw/zinc/08/16/27/810081627.db2.gz WZQFSAGPQVJTGU-RDJZCZTQSA-N 1 0 279.424 3.079 20 10 CGCDRO COc1cc(C[NH2+]C[C@@H]2C[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC001199275258 811567722 /nfs/dbraw/zinc/56/77/22/811567722.db2.gz GWRHQMQTJWKNCT-RYUDHWBXSA-N 1 0 277.408 3.444 20 10 CGCDRO CCC[C@@H](C)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC001201539156 811889228 /nfs/dbraw/zinc/88/92/28/811889228.db2.gz QKDQRZGSAVSDCV-OAHLLOKOSA-N 1 0 276.424 3.253 20 10 CGCDRO COc1ccc(C[NH2+]CCC[C@H]2CCCCO2)cc1C ZINC001201909767 811974363 /nfs/dbraw/zinc/97/43/63/811974363.db2.gz BQMUWEIXIJKCLK-MRXNPFEDSA-N 1 0 277.408 3.443 20 10 CGCDRO CC(C)O[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC001202749945 812164800 /nfs/dbraw/zinc/16/48/00/812164800.db2.gz MKFTXNNLXPXFSQ-IYBDPMFKSA-N 1 0 275.392 3.057 20 10 CGCDRO Oc1ccccc1C[N@@H+]1C[C@@H]2C[C@H](C1)c1ccccc12 ZINC001203558310 812392271 /nfs/dbraw/zinc/39/22/71/812392271.db2.gz CQPIBQRRQDFSPD-GASCZTMLSA-N 1 0 265.356 3.479 20 10 CGCDRO COc1ccc(C[NH+]2CC3(C2)CCCCC3)c(O)c1 ZINC001203628541 812411409 /nfs/dbraw/zinc/41/14/09/812411409.db2.gz CMZSKCZNXJMQTN-UHFFFAOYSA-N 1 0 261.365 3.167 20 10 CGCDRO COc1ccc(C[N@@H+]2CCCC3(CCC3)C2)c(O)c1 ZINC001203634418 812412441 /nfs/dbraw/zinc/41/24/41/812412441.db2.gz FCMBWEILSAXZFA-UHFFFAOYSA-N 1 0 261.365 3.167 20 10 CGCDRO C[C@]1(CF)CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC001203651705 812414810 /nfs/dbraw/zinc/41/48/10/812414810.db2.gz SYEKEENLBJDETO-CYBMUJFWSA-N 1 0 257.736 3.227 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH+]1CCC2(CCCOC2)CC1 ZINC001203664367 812422621 /nfs/dbraw/zinc/42/26/21/812422621.db2.gz BCVCJNBHPNTRFX-UHFFFAOYSA-N 1 0 295.810 3.438 20 10 CGCDRO COc1cccc([C@@H]2CC[N@H+](Cc3ccc(O)c(O)c3)C2)c1 ZINC001203878787 812477829 /nfs/dbraw/zinc/47/78/29/812477829.db2.gz BSGLIPWTPDKKLT-OAHLLOKOSA-N 1 0 299.370 3.096 20 10 CGCDRO Cc1ccccc1O[C@@H]1CC[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203878663 812478740 /nfs/dbraw/zinc/47/87/40/812478740.db2.gz JVUYRNZZJCCMQO-OAHLLOKOSA-N 1 0 299.370 3.060 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](C)[C@@H]2CO)cc1 ZINC001203935334 812496015 /nfs/dbraw/zinc/49/60/15/812496015.db2.gz FBYGCHPPWADZEP-YJBOKZPZSA-N 1 0 290.451 3.126 20 10 CGCDRO Oc1cccc2c1C[N@H+](Cc1ccc(F)c(F)c1)CC2 ZINC001204228388 812578765 /nfs/dbraw/zinc/57/87/65/812578765.db2.gz ONRXYRUUKAEALA-UHFFFAOYSA-N 1 0 275.298 3.229 20 10 CGCDRO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001204241815 812583522 /nfs/dbraw/zinc/58/35/22/812583522.db2.gz JAFRXSHWJXSZHN-HOCLYGCPSA-N 1 0 298.430 3.251 20 10 CGCDRO C[N@H+](Cc1cccc(Cl)c1)Cc1ccc(O)cc1O ZINC001204275303 812594366 /nfs/dbraw/zinc/59/43/66/812594366.db2.gz OHXBONXTLCJBQE-UHFFFAOYSA-N 1 0 277.751 3.383 20 10 CGCDRO Oc1ccc(C[N@@H+]2CC[C@H]3CCCC[C@H]3C2)c(O)c1 ZINC001204278664 812595298 /nfs/dbraw/zinc/59/52/98/812595298.db2.gz HJQSKXYXIUBELS-OLZOCXBDSA-N 1 0 261.365 3.110 20 10 CGCDRO C[C@@]1(CF)CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204324498 812612493 /nfs/dbraw/zinc/61/24/93/812612493.db2.gz LXZZPCJNZVZQFP-KRWDZBQOSA-N 1 0 276.399 3.468 20 10 CGCDRO CCCO[C@@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204327447 812614070 /nfs/dbraw/zinc/61/40/70/812614070.db2.gz UQKJDUZDIUVBII-GOSISDBHSA-N 1 0 288.435 3.288 20 10 CGCDRO COc1cc(C[N@@H+]2CCc3cccc(O)c3C2)ccc1F ZINC001204560401 812677214 /nfs/dbraw/zinc/67/72/14/812677214.db2.gz ADQVTOHYFYYDKK-UHFFFAOYSA-N 1 0 287.334 3.098 20 10 CGCDRO COc1cc(C)c(C[N@H+](C)Cc2ccccc2F)c(O)c1 ZINC001204713837 812714847 /nfs/dbraw/zinc/71/48/47/812714847.db2.gz IYFMELWMQNXSHB-UHFFFAOYSA-N 1 0 289.350 3.480 20 10 CGCDRO C[C@H]1C[N@H+](Cc2ccc(N)cc2)Cc2ccccc21 ZINC001205164946 812895581 /nfs/dbraw/zinc/89/55/81/812895581.db2.gz XSHZNRSORQOQOF-ZDUSSCGKSA-N 1 0 252.361 3.388 20 10 CGCDRO COc1cccc(C[NH2+][C@@H]2C[C@@H]3CC[C@@H](C3)C2)c1O ZINC001205677671 813050111 /nfs/dbraw/zinc/05/01/11/813050111.db2.gz FLHHFINVQOWRMC-DABQJJPHSA-N 1 0 261.365 3.069 20 10 CGCDRO CO[C@H]([C@@H](C)[NH2+]Cc1cc(C(C)C)ccc1O)C1CC1 ZINC001205811405 813089649 /nfs/dbraw/zinc/08/96/49/813089649.db2.gz CICRXNUPTSDKTC-SJKOYZFVSA-N 1 0 277.408 3.419 20 10 CGCDRO C[C@@H]1CC[C@@H](CN)[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC001205829738 813100385 /nfs/dbraw/zinc/10/03/85/813100385.db2.gz PNVXKOQDLMELRE-HIFRSBDPSA-N 1 0 284.403 3.105 20 10 CGCDRO C[C@H]1CC[C@H](C[NH3+])N(Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001205840884 813104323 /nfs/dbraw/zinc/10/43/23/813104323.db2.gz INJTUKCXMNTNPO-XJKSGUPXSA-N 1 0 290.451 3.249 20 10 CGCDRO Cc1cc(CN2CCCC[C@H]([NH3+])C2)c(C)n1-c1ccccc1 ZINC001205933130 813140458 /nfs/dbraw/zinc/14/04/58/813140458.db2.gz YRLOWSOGZGTJKE-SFHVURJKSA-N 1 0 297.446 3.407 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(CN2CC[C@@H](C)[C@H]([NH3+])C2)cc1 ZINC001206037839 813177290 /nfs/dbraw/zinc/17/72/90/813177290.db2.gz XXOLGBUYZHXROR-AUUYWEPGSA-N 1 0 297.446 3.263 20 10 CGCDRO COc1cc(C[N@H+]2Cc3ccccc3[C@@H](C)C2)c(O)cc1O ZINC001231634182 818143910 /nfs/dbraw/zinc/14/39/10/818143910.db2.gz INTQYOODOTYKCF-LBPRGKRZSA-N 1 0 299.370 3.226 20 10 CGCDRO CCO[C@H]1CCC[N@H+](Cc2c(C)cc(C)cc2O)C1 ZINC001231843883 818185884 /nfs/dbraw/zinc/18/58/84/818185884.db2.gz CMJDNTBLMHCQSE-AWEZNQCLSA-N 1 0 263.381 3.010 20 10 CGCDRO COC[C@H]1CCCC[N@@H+]1Cc1c(C)cc(C)cc1O ZINC001231841974 818186403 /nfs/dbraw/zinc/18/64/03/818186403.db2.gz IXBDULYNEOACSE-CQSZACIVSA-N 1 0 263.381 3.010 20 10 CGCDRO Cc1cc(C)c(C[NH+]2CCC3(CCCO3)CC2)c(O)c1 ZINC001231846751 818187200 /nfs/dbraw/zinc/18/72/00/818187200.db2.gz ONWYURQTMWJJAK-UHFFFAOYSA-N 1 0 275.392 3.154 20 10 CGCDRO Cc1cc(C)c(C[N@@H+]2CCc3occc3C2)c(O)c1 ZINC001231849681 818188821 /nfs/dbraw/zinc/18/88/21/818188821.db2.gz UQILWJDNWWOJBC-UHFFFAOYSA-N 1 0 257.333 3.160 20 10 CGCDRO Cc1cc(C)c(C[N@H+](C)C[C@@H]2Cc3ccccc3O2)c(O)c1 ZINC001231851058 818189034 /nfs/dbraw/zinc/18/90/34/818189034.db2.gz YSVHTKUYHNBGHC-INIZCTEOSA-N 1 0 297.398 3.445 20 10 CGCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@](C)(F)CC1 ZINC001231849240 818189471 /nfs/dbraw/zinc/18/94/71/818189471.db2.gz PQHJASUZXCCUNN-QGZVFWFLSA-N 1 0 294.414 3.475 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@](C)(O)[C@H](C)C2)cc1Cl ZINC001231867962 818192189 /nfs/dbraw/zinc/19/21/89/818192189.db2.gz OTYCZOPBUZYWNH-MLGOLLRUSA-N 1 0 297.826 3.337 20 10 CGCDRO Cc1cc(O)c(C[NH+]2CC3CC(C3)C2)cc1Cl ZINC001231870066 818194199 /nfs/dbraw/zinc/19/41/99/818194199.db2.gz HUHQPXBTWWDCOM-UHFFFAOYSA-N 1 0 251.757 3.196 20 10 CGCDRO C[C@H]1CCCC[N@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232259536 818295425 /nfs/dbraw/zinc/29/54/25/818295425.db2.gz KQUGALXGLHMTAD-JTQLQIEISA-N 1 0 269.772 3.373 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2cc(Cl)c(O)cc2O)C2(CC2)C1 ZINC001232263567 818297338 /nfs/dbraw/zinc/29/73/38/818297338.db2.gz ROPDRFSRWBHTCO-VIFPVBQESA-N 1 0 267.756 3.126 20 10 CGCDRO COc1cc(O)c(C[N@H+]2CC[C@@H](OC)C[C@H]2C)cc1Cl ZINC001232271135 818299923 /nfs/dbraw/zinc/29/99/23/818299923.db2.gz NZAWNJZBPIWYBO-ZYHUDNBSSA-N 1 0 299.798 3.054 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2cc(Cl)c(O)cc2O)[C@H](C)C1 ZINC001232269245 818300705 /nfs/dbraw/zinc/30/07/05/818300705.db2.gz YTUXCPUCURITKK-NXEZZACHSA-N 1 0 269.772 3.372 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2c2cccnc2)c(O)c1 ZINC001232834827 818451895 /nfs/dbraw/zinc/45/18/95/818451895.db2.gz NRERYWMFAHRRDV-QGZVFWFLSA-N 1 0 297.402 3.190 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)Cc2cccc3c2CCO3)cc1 ZINC001233277447 818562595 /nfs/dbraw/zinc/56/25/95/818562595.db2.gz CQSJMFOKXOPBTN-UHFFFAOYSA-N 1 0 296.414 3.320 20 10 CGCDRO COC[C@@H]1CCC[N@@H+]1Cc1cc(C(C)(C)C)ccc1O ZINC001233283954 818566350 /nfs/dbraw/zinc/56/63/50/818566350.db2.gz CCYUMFYNFZNXHF-HNNXBMFYSA-N 1 0 277.408 3.301 20 10 CGCDRO C[NH+](C)[C@@H]1CCCN(Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001233286015 818568320 /nfs/dbraw/zinc/56/83/20/818568320.db2.gz AWKPNHSWRJFHIG-MRXNPFEDSA-N 1 0 290.451 3.216 20 10 CGCDRO C[N@@H+](Cc1cccc(OC(F)(F)F)c1O)CC1CC1 ZINC001233727383 818692033 /nfs/dbraw/zinc/69/20/33/818692033.db2.gz MMAQKUSNPUIEGI-UHFFFAOYSA-N 1 0 275.270 3.133 20 10 CGCDRO CC[C@@H](C)Oc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC001234657439 818907228 /nfs/dbraw/zinc/90/72/28/818907228.db2.gz DDRBPILVUYMABI-CQSZACIVSA-N 1 0 262.397 3.006 20 10 CGCDRO C[C@]1(O)CCC[N@H+](Cc2cccc(-c3ccccc3)c2O)C1 ZINC001234997115 818971339 /nfs/dbraw/zinc/97/13/39/818971339.db2.gz SVONCGDPKQMLLT-IBGZPJMESA-N 1 0 297.398 3.406 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(CN2CC[C@@H]3[NH2+]CC[C@H]32)cc1 ZINC001235041768 818988421 /nfs/dbraw/zinc/98/84/21/818988421.db2.gz LKLGGTFKXMYTRT-RBUKOAKNSA-N 1 0 295.430 3.030 20 10 CGCDRO Oc1cccc(Cl)c1CN1CCCC[C@]12CCC[NH2+]C2 ZINC001235168814 819022460 /nfs/dbraw/zinc/02/24/60/819022460.db2.gz UUROHZDDJBGPEN-MRXNPFEDSA-N 1 0 294.826 3.154 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(CN2CC[C@H]3[NH2+]CC[C@@H]32)cc1 ZINC001235235486 819042722 /nfs/dbraw/zinc/04/27/22/819042722.db2.gz LKLGGTFKXMYTRT-MOPGFXCFSA-N 1 0 295.430 3.030 20 10 CGCDRO CCC1([NH3+])CN(Cc2cc(Cl)c(C(C)(C)C)cc2O)C1 ZINC001236188976 819361602 /nfs/dbraw/zinc/36/16/02/819361602.db2.gz GQVBJSFJXWZMFB-UHFFFAOYSA-N 1 0 296.842 3.266 20 10 CGCDRO CN(C)c1ccc(CN(C)[C@@H]2CCCC[C@H]2[NH3+])c(Cl)c1 ZINC001236213303 819375788 /nfs/dbraw/zinc/37/57/88/819375788.db2.gz ASPYPEUHIUQGND-HZPDHXFCSA-N 1 0 295.858 3.108 20 10 CGCDRO Cc1cc(CN2CCC[C@@H]2C[NH3+])c(C)n1-c1ccccc1 ZINC001236245138 819403179 /nfs/dbraw/zinc/40/31/79/819403179.db2.gz JSCIMUPMPGEKHA-GOSISDBHSA-N 1 0 283.419 3.017 20 10 CGCDRO CCCN(Cc1ccc(C(C)(C)C)cc1O)[C@H]1CC[NH2+]C1 ZINC001236323631 819426089 /nfs/dbraw/zinc/42/60/89/819426089.db2.gz IBDHCYZNJWXBKF-INIZCTEOSA-N 1 0 290.451 3.264 20 10 CGCDRO CCc1ccc(C[NH+]2CCN(c3ccccc3)CC2)c(O)c1 ZINC001236781492 819594284 /nfs/dbraw/zinc/59/42/84/819594284.db2.gz DSLJTXHCPYCWJL-UHFFFAOYSA-N 1 0 296.414 3.277 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H]3C[C@H]32)c(Cl)c1 ZINC001236807496 819602864 /nfs/dbraw/zinc/60/28/64/819602864.db2.gz HBBMNEVVKJZLFR-TVQRCGJNSA-N 1 0 267.756 3.039 20 10 CGCDRO Oc1cc2ccccc2cc1C[NH+]1CCC(F)CC1 ZINC001236825720 819608637 /nfs/dbraw/zinc/60/86/37/819608637.db2.gz DLTKHBWFBVTJKW-UHFFFAOYSA-N 1 0 259.324 3.479 20 10 CGCDRO COC[C@H]1CC[N@H+](Cc2cc3ccccc3cc2O)C1 ZINC001236826496 819610508 /nfs/dbraw/zinc/61/05/08/819610508.db2.gz LIABNMWALPSOPU-ZDUSSCGKSA-N 1 0 271.360 3.014 20 10 CGCDRO Oc1cc2ccccc2cc1C[N@@H+]1CC[C@H]2OCC[C@@H]2C1 ZINC001236830434 819611635 /nfs/dbraw/zinc/61/16/35/819611635.db2.gz ALXDCGBSCVIFRY-CRAIPNDOSA-N 1 0 283.371 3.156 20 10 CGCDRO CC(C)(C)[NH+]1CCN(Cc2cc3ccccc3cc2O)CC1 ZINC001236833206 819612763 /nfs/dbraw/zinc/61/27/63/819612763.db2.gz PUNATMCKOHBQKG-UHFFFAOYSA-N 1 0 298.430 3.462 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2CCC[C@](C)(O)CC2)c(O)c1 ZINC001237046568 819651127 /nfs/dbraw/zinc/65/11/27/819651127.db2.gz UCEFHZIILBQRHM-KRWDZBQOSA-N 1 0 277.408 3.253 20 10 CGCDRO CC(C)c1ccc(CN2CC[C@H]([NH+]3CCCC3)C2)c(O)c1 ZINC001237053518 819654599 /nfs/dbraw/zinc/65/45/99/819654599.db2.gz LZTPRJYMBGBXBH-KRWDZBQOSA-N 1 0 288.435 3.186 20 10 CGCDRO Cc1cccc(O)c1C[N@H+]1C[C@H]2c3ccccc3C(=O)[C@H]2C1 ZINC001237486246 819762094 /nfs/dbraw/zinc/76/20/94/819762094.db2.gz ZMYGCTWZOHAWRP-IRXDYDNUSA-N 1 0 293.366 3.113 20 10 CGCDRO CCC[N@H+](Cc1c(C)cccc1O)C1CCOCC1 ZINC001237491875 819764642 /nfs/dbraw/zinc/76/46/42/819764642.db2.gz MUCAJPJFTSDTLR-UHFFFAOYSA-N 1 0 263.381 3.092 20 10 CGCDRO COc1cc(C[NH+](C(C)C)C(C)C)c(O)c(OC)c1 ZINC001237671276 819804040 /nfs/dbraw/zinc/80/40/40/819804040.db2.gz ANWKJBLTGAQWGJ-UHFFFAOYSA-N 1 0 267.369 3.028 20 10 CGCDRO COc1cc(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)c(O)c(OC)c1 ZINC001237671483 819804746 /nfs/dbraw/zinc/80/47/46/819804746.db2.gz CEXWIMAZDLMWTE-BETUJISGSA-N 1 0 291.391 3.031 20 10 CGCDRO Cc1cc(Cl)cc(C[N@H+]2[C@@H]3CC[C@H]2CC(=O)C3)c1O ZINC001237680201 819805332 /nfs/dbraw/zinc/80/53/32/819805332.db2.gz PIYQVSOPDDXJEY-BETUJISGSA-N 1 0 279.767 3.050 20 10 CGCDRO Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](C)[C@](C)(O)CC2)c1O ZINC001237681366 819805670 /nfs/dbraw/zinc/80/56/70/819805670.db2.gz NIFBZTXSYUDYKZ-MLGOLLRUSA-N 1 0 297.826 3.337 20 10 CGCDRO CC[N@H+](C)C1CCN(Cc2cc(Cl)cc(C)c2O)CC1 ZINC001237690502 819809511 /nfs/dbraw/zinc/80/95/11/819809511.db2.gz YOCFOJWTOMUAAY-UHFFFAOYSA-N 1 0 296.842 3.270 20 10 CGCDRO Cc1cc(F)cc(C[N@H+]2CCC[C@H](C)[C@H]2C)c1O ZINC001238060682 819920881 /nfs/dbraw/zinc/92/08/81/819920881.db2.gz FCWAHPJRJRMVNE-CMPLNLGQSA-N 1 0 251.345 3.460 20 10 CGCDRO CCOCC1CC[NH+](Cc2cc(F)cc(C)c2O)CC1 ZINC001238069896 819924109 /nfs/dbraw/zinc/92/41/09/819924109.db2.gz LCBDWBAEPRWNBR-UHFFFAOYSA-N 1 0 281.371 3.088 20 10 CGCDRO c1cc(N2CCCCC2)ccc1C1=CCC[NH2+]CC1 ZINC001238948582 820164546 /nfs/dbraw/zinc/16/45/46/820164546.db2.gz YOGOQDXFZZJJGT-UHFFFAOYSA-N 1 0 256.393 3.444 20 10 CGCDRO C[NH+](C)Cc1cncc(C2=CCN(c3ccccc3)CC2)c1 ZINC001241354597 821756260 /nfs/dbraw/zinc/75/62/60/821756260.db2.gz FSHINPAOHYJSPL-UHFFFAOYSA-N 1 0 293.414 3.437 20 10 CGCDRO CN(C)c1ccc(C2=CCC[N@H+](C)C2)cc1C(F)(F)F ZINC001241569949 821955521 /nfs/dbraw/zinc/95/55/21/821955521.db2.gz BHEXZKCYZKKDDM-UHFFFAOYSA-N 1 0 284.325 3.490 20 10 CGCDRO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2ccc(N)cc2)n1 ZINC001345159066 936804577 /nfs/dbraw/zinc/80/45/77/936804577.db2.gz AFDYIOVRMDEADT-KRWDZBQOSA-N 1 0 267.376 3.309 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC001351350668 937015203 /nfs/dbraw/zinc/01/52/03/937015203.db2.gz FNJMRWUAAJBRGA-UYHMYPTGSA-N 1 0 287.403 3.406 20 10 CGCDRO COCC[C@@H](C)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000840838113 927266102 /nfs/dbraw/zinc/26/61/02/927266102.db2.gz POQZZCUUBONMNA-ZIAGYGMSSA-N 1 0 264.413 3.076 20 10 CGCDRO CS[C@@H]1CC[C@H]([N@H+](C)Cc2ccc(N(C)C)cc2)C1 ZINC001323324502 928520066 /nfs/dbraw/zinc/52/00/66/928520066.db2.gz WGGMNZYHOGFINX-JKSUJKDBSA-N 1 0 278.465 3.469 20 10 CGCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@](C)(F)[C@@H](F)C2)c1O ZINC001140178342 931956828 /nfs/dbraw/zinc/95/68/28/931956828.db2.gz ISKHDSQWGAPTPB-ZFWWWQNUSA-N 1 0 269.335 3.281 20 10 CGCDRO CC(C)[NH+](CCNCc1ccc(N(C)C)c(F)c1)C(C)C ZINC001460993924 937558601 /nfs/dbraw/zinc/55/86/01/937558601.db2.gz APYUPKGIDPYSBE-UHFFFAOYSA-N 1 0 295.446 3.100 20 10 CGCDRO CCCOc1ccc(C[NH2+]C[C@@](C)(O)C2CC2)cc1C ZINC001461183494 937568966 /nfs/dbraw/zinc/56/89/66/937568966.db2.gz SUAOOVFIIORIQT-QGZVFWFLSA-N 1 0 277.408 3.034 20 10 CGCDRO CC(C)C[C@H](C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC001461369242 937578008 /nfs/dbraw/zinc/57/80/08/937578008.db2.gz ZAFPVDJNCHELOY-LBPRGKRZSA-N 1 0 252.377 3.416 20 10 CGCDRO CC[C@@]1(CO)CCC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001462130550 937620070 /nfs/dbraw/zinc/62/00/70/937620070.db2.gz WLIOFAMDDJVHNZ-OAHLLOKOSA-N 1 0 283.799 3.030 20 10 CGCDRO Cc1cccnc1CC[NH2+]Cc1ccc(Cl)cc1O ZINC001462262176 937628256 /nfs/dbraw/zinc/62/82/56/937628256.db2.gz VVLLPOLMYIIWGW-UHFFFAOYSA-N 1 0 276.767 3.081 20 10 CGCDRO CCOCCC1(C[NH2+]Cc2ccc(N)cc2)CCCC1 ZINC001336116989 932782414 /nfs/dbraw/zinc/78/24/14/932782414.db2.gz KFFFZEHHEUPMBS-UHFFFAOYSA-N 1 0 276.424 3.345 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]Cc1ccc2nccnc2c1 ZINC001462395684 937638163 /nfs/dbraw/zinc/63/81/63/937638163.db2.gz NWGLAJUTZXNUPP-UHFFFAOYSA-N 1 0 299.761 3.279 20 10 CGCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](C3CCC3)C2)c1O ZINC001307842794 933006515 /nfs/dbraw/zinc/00/65/15/933006515.db2.gz JEOVFULBRWYPJU-ZDUSSCGKSA-N 1 0 291.366 3.356 20 10 CGCDRO COC[C@H](C[NH2+]Cc1cc(Cl)c(C)cc1O)C(C)C ZINC001462604005 937653194 /nfs/dbraw/zinc/65/31/94/937653194.db2.gz KJPRJGMBPFMZFV-ZDUSSCGKSA-N 1 0 285.815 3.362 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CCCO2)cc1 ZINC001308159644 933061509 /nfs/dbraw/zinc/06/15/09/933061509.db2.gz JKDUQQLVFFGMBA-ZWKOTPCHSA-N 1 0 288.435 3.286 20 10 CGCDRO CCCOc1ccc(C[NH2+]C[C@](C)(O)C(C)C)cc1C ZINC001308265233 933085283 /nfs/dbraw/zinc/08/52/83/933085283.db2.gz CQMMOZRBJOLXET-KRWDZBQOSA-N 1 0 279.424 3.280 20 10 CGCDRO COc1cc(C)c(C[N@H+](C)[C@H]2CC[C@H](SC)C2)c(O)c1 ZINC001308597337 933140232 /nfs/dbraw/zinc/14/02/32/933140232.db2.gz SAVDTBOVXMICBD-JSGCOSHPSA-N 1 0 295.448 3.425 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH+]2CC(CC3CC3)C2)cc1 ZINC001308878616 933195243 /nfs/dbraw/zinc/19/52/43/933195243.db2.gz RABWTHVMWJIEIQ-ONEGZZNKSA-N 1 0 270.420 3.498 20 10 CGCDRO Cc1cc(C[N@H+](Cc2ccccc2O)C2CCCC2)[nH]n1 ZINC001319711928 933919251 /nfs/dbraw/zinc/91/92/51/933919251.db2.gz KXLASGPEYNKONN-UHFFFAOYSA-N 1 0 285.391 3.369 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H]2C=CCCC2)cc1 ZINC001324610406 934532501 /nfs/dbraw/zinc/53/25/01/934532501.db2.gz OCOUJXZQUYYGDP-FYCOFBDGSA-N 1 0 256.393 3.464 20 10 CGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]CCN(C)CC(F)F ZINC001329755644 935244605 /nfs/dbraw/zinc/24/46/05/935244605.db2.gz SMGWHNOQCFERJH-RYUDHWBXSA-N 1 0 298.377 3.035 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@@H](c3nccs3)C2)c1 ZINC001332152734 935444285 /nfs/dbraw/zinc/44/42/85/935444285.db2.gz XANUPQKDMLOQSP-CYBMUJFWSA-N 1 0 288.416 3.455 20 10 CGCDRO C[C@H]1C[C@H](C)C[NH+](CCSc2nccs2)C1 ZINC001333275158 935522420 /nfs/dbraw/zinc/52/24/20/935522420.db2.gz AHJVIWNYZHBIAA-QWRGUYRKSA-N 1 0 256.440 3.213 20 10 CGCDRO CCC[C@@]1(COC)CCC[N@@H+]1Cc1ccc(N)cc1 ZINC001336287002 936186088 /nfs/dbraw/zinc/18/60/88/936186088.db2.gz VRSMPCBTSCBZQH-INIZCTEOSA-N 1 0 262.397 3.050 20 10 CGCDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2ccc(N)cc2)C12CCC2 ZINC001336286672 936186272 /nfs/dbraw/zinc/18/62/72/936186272.db2.gz UEXQUHHUPBRMGM-JKSUJKDBSA-N 1 0 274.408 3.048 20 10 CGCDRO Clc1ccc(C2=CCN(c3cc[nH+]cc3)CC2)cn1 ZINC001336395592 936191854 /nfs/dbraw/zinc/19/18/54/936191854.db2.gz CENQPDXDQRBNBM-UHFFFAOYSA-N 1 0 271.751 3.424 20 10 CGCDRO Cc1cc(C[NH+]2CCC(O)(C(C)C)CC2)ccc1N(C)C ZINC001473883534 937827317 /nfs/dbraw/zinc/82/73/17/937827317.db2.gz LJMHTHWJQUTQLV-UHFFFAOYSA-N 1 0 290.451 3.044 20 10 CGCDRO Cc1cnccc1CC[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001474074334 937839116 /nfs/dbraw/zinc/83/91/16/937839116.db2.gz IFROHKPUAMOFSK-UHFFFAOYSA-N 1 0 295.430 3.323 20 10 CGCDRO CC(C)c1ccc(O)c(C[N@H+]2CCC[C@@H]2C[C@@H](C)O)c1 ZINC001474369776 937855513 /nfs/dbraw/zinc/85/55/13/937855513.db2.gz MFFDFHZYCLJAJL-CZUORRHYSA-N 1 0 277.408 3.251 20 10 CGCDRO CC(C)c1ccc(O)c(C[N@H+](C)[C@@H]2CCN(C)C[C@H]2C)c1 ZINC001474504282 937863709 /nfs/dbraw/zinc/86/37/09/937863709.db2.gz FCYYVOWNDQYWDV-RHSMWYFYSA-N 1 0 290.451 3.288 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H]1CCC(C)(C)CO1 ZINC001474683940 937874888 /nfs/dbraw/zinc/87/48/88/937874888.db2.gz CBBNHAXKCHDKAN-QGZVFWFLSA-N 1 0 290.451 3.356 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CC[C@H](C3CC3)O2)c(Cl)c1 ZINC001560605735 938265175 /nfs/dbraw/zinc/26/51/75/938265175.db2.gz WKOAIBMNZXOSJO-MLGOLLRUSA-N 1 0 295.810 3.401 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CC[C@@H](C3CC3)O2)c(Cl)c1 ZINC001560605736 938265203 /nfs/dbraw/zinc/26/52/03/938265203.db2.gz WKOAIBMNZXOSJO-WBMJQRKESA-N 1 0 295.810 3.401 20 10 CGCDRO CC[C@H]1C[C@H](C)C[N@@H+]1Cc1c(C)cc(OC)cc1O ZINC001560687752 938270366 /nfs/dbraw/zinc/27/03/66/938270366.db2.gz OOCSXNCJWZIZLH-AAEUAGOBSA-N 1 0 263.381 3.330 20 10 CGCDRO CC[C@@](C)(CC(=O)OC)[NH2+]Cc1cc(C(C)C)ccc1O ZINC001560740919 938273323 /nfs/dbraw/zinc/27/33/23/938273323.db2.gz HEBMPVPTGUMMAT-KRWDZBQOSA-N 1 0 293.407 3.337 20 10 CGCDRO COc1cccc(C[NH2+]Cc2cc3c(cccc3C)[nH]2)c1O ZINC001560811041 938277230 /nfs/dbraw/zinc/27/72/30/938277230.db2.gz WEGAKRYBYHJQJT-UHFFFAOYSA-N 1 0 296.370 3.480 20 10 CGCDRO CC1(C)CN(C(=O)C2=CC[C@H]([NH3+])C2)c2cccc(Cl)c21 ZINC001576447996 962461306 /nfs/dbraw/zinc/46/13/06/962461306.db2.gz VCVKGBQTKRJOQM-NSHDSACASA-N 1 0 290.794 3.012 20 10 CGCDRO CS[C@@H]1CCC[C@@H]([NH2+]CCc2ccc(N)cc2)C1 ZINC001579369582 962619173 /nfs/dbraw/zinc/61/91/73/962619173.db2.gz GASXYVALSQETFQ-HUUCEWRRSA-N 1 0 264.438 3.075 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H]2CCc3cc(N)ccc32)c(O)c1 ZINC001579697066 962657207 /nfs/dbraw/zinc/65/72/07/962657207.db2.gz VJPYZUAUIYEGHD-MRXNPFEDSA-N 1 0 268.360 3.060 20 10 CGCDRO Nc1ccc(C[NH2+][C@@H]2CCCN(c3ccccc3)C2)cc1 ZINC001580445526 962721562 /nfs/dbraw/zinc/72/15/62/962721562.db2.gz HZOVESNSTGDBLQ-QGZVFWFLSA-N 1 0 281.403 3.027 20 10 CGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H](O)c1ccccc1 ZINC000068973703 345368837 /nfs/dbraw/zinc/36/88/37/345368837.db2.gz WCFLYYPECIUZNI-GOSISDBHSA-N 1 0 285.387 3.338 20 10 CGCDRO COCCC1(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000090536344 260260632 /nfs/dbraw/zinc/26/06/32/260260632.db2.gz WCVJBHHVMHTIPL-CQSZACIVSA-N 1 0 276.424 3.220 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000179950999 346254224 /nfs/dbraw/zinc/25/42/24/346254224.db2.gz BJKMARFJIVKNAU-NSHDSACASA-N 1 0 289.297 3.175 20 10 CGCDRO OC1CCC([NH2+]Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000020089540 136580054 /nfs/dbraw/zinc/58/00/54/136580054.db2.gz SFUUEDDAGSQGHX-UHFFFAOYSA-N 1 0 288.435 3.070 20 10 CGCDRO CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])C1 ZINC000191215598 283352626 /nfs/dbraw/zinc/35/26/26/283352626.db2.gz DPOONBJXPYJGKL-NWDGAFQWSA-N 1 0 298.377 3.053 20 10 CGCDRO COc1cccc(C[N@H+]2Cc3ccccc3O[C@@H](C)C2)c1O ZINC000011813903 368596873 /nfs/dbraw/zinc/59/68/73/368596873.db2.gz ICCXJIUQOFLFSI-ZDUSSCGKSA-N 1 0 299.370 3.184 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CCc2cccs2)cc1 ZINC000019948388 368788129 /nfs/dbraw/zinc/78/81/29/368788129.db2.gz HGKGNKBUOPONDG-UHFFFAOYSA-N 1 0 260.406 3.146 20 10 CGCDRO CC(C)[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000071198913 369808093 /nfs/dbraw/zinc/80/80/93/369808093.db2.gz FWJIWOOCZJKXQG-LBPRGKRZSA-N 1 0 284.350 3.255 20 10 CGCDRO COc1ccc([C@@H](C)[NH2+]Cc2ccccc2O)cc1 ZINC000076262599 369935105 /nfs/dbraw/zinc/93/51/05/369935105.db2.gz XPRURIXFRIKDSQ-GFCCVEGCSA-N 1 0 257.333 3.252 20 10 CGCDRO CCCO[C@@H]1CCC[N@H+](Cc2cc(C)ccc2O)CC1 ZINC000093317540 370119034 /nfs/dbraw/zinc/11/90/34/370119034.db2.gz XTXUNDVZPGCTCS-MRXNPFEDSA-N 1 0 277.408 3.482 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCOC2CCCCC2)c1 ZINC000111635861 370402745 /nfs/dbraw/zinc/40/27/45/370402745.db2.gz CODXUTVSRDAOLB-ZDUSSCGKSA-N 1 0 293.407 3.401 20 10 CGCDRO COc1cccc(C[NH2+]Cc2sccc2C)c1O ZINC000112017545 370409457 /nfs/dbraw/zinc/40/94/57/370409457.db2.gz CZZCHCKCEZCSLK-UHFFFAOYSA-N 1 0 263.362 3.061 20 10 CGCDRO CSC[C@@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000134922532 371375749 /nfs/dbraw/zinc/37/57/49/371375749.db2.gz FBUMNEKWCVHSNW-BDAKNGLRSA-N 1 0 259.802 3.448 20 10 CGCDRO CC[C@@H]([NH2+]CC1=CCCOC1)c1ccc(C)cc1O ZINC000287158130 371613101 /nfs/dbraw/zinc/61/31/01/371613101.db2.gz TVWTVJVKNNCZIN-OAHLLOKOSA-N 1 0 261.365 3.088 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1CCOC[C@H]1C)c1cc(Cl)ccc1O ZINC000287375497 371646047 /nfs/dbraw/zinc/64/60/47/371646047.db2.gz HYJILWPJUVSDDS-WOPDTQHZSA-N 1 0 283.799 3.369 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H]2CCCSC2)c1 ZINC000288443561 371737980 /nfs/dbraw/zinc/73/79/80/371737980.db2.gz MDLBRYGTUVSKGG-LBPRGKRZSA-N 1 0 281.421 3.024 20 10 CGCDRO CCOc1cccc(C[NH2+][C@H]2c3ccccc3O[C@H]2C)c1O ZINC000288710351 371743991 /nfs/dbraw/zinc/74/39/91/371743991.db2.gz ZDVPOVXPVMMDGR-YVEFUNNKSA-N 1 0 299.370 3.403 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@H]2c3ccccc3O[C@@H]2C)c1 ZINC000289249072 371752714 /nfs/dbraw/zinc/75/27/14/371752714.db2.gz AWOXLKBHFPCXQH-PIGZYNQJSA-N 1 0 285.343 3.013 20 10 CGCDRO CCCCN(C)C[C@H](C)[NH2+]Cc1cccc(OCC)c1O ZINC000288616651 371742235 /nfs/dbraw/zinc/74/22/35/371742235.db2.gz RCEVCHZPRAYFBK-AWEZNQCLSA-N 1 0 294.439 3.001 20 10 CGCDRO CCC(CC)[C@H](O)C[NH2+][C@H](CC)c1ccccc1O ZINC000155786637 371946305 /nfs/dbraw/zinc/94/63/05/371946305.db2.gz SFHXACUTHCTBOY-GDBMZVCRSA-N 1 0 265.397 3.230 20 10 CGCDRO CCc1noc(C)c1C[NH2+][C@H](C)c1cc(C)ccc1O ZINC000293769439 372475698 /nfs/dbraw/zinc/47/56/98/372475698.db2.gz SBEVNJJKKCEXII-LLVKDONJSA-N 1 0 274.364 3.410 20 10 CGCDRO C[C@@H](O)CC[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000293613573 372425771 /nfs/dbraw/zinc/42/57/71/372425771.db2.gz GSRTVKBOYDUUJV-CRAIPNDOSA-N 1 0 299.414 3.427 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CC3(CCOCC3)[C@@H]2C2CC2)c1 ZINC000293625924 372429412 /nfs/dbraw/zinc/42/94/12/372429412.db2.gz LAOBKVURCFBGKG-KRWDZBQOSA-N 1 0 287.403 3.092 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCSC2)c(O)c1 ZINC000168817161 372620805 /nfs/dbraw/zinc/62/08/05/372620805.db2.gz XOLCNLVHPIUVRI-RYUDHWBXSA-N 1 0 251.395 3.247 20 10 CGCDRO CC[C@@H](O)CC[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000168826801 372621536 /nfs/dbraw/zinc/62/15/36/372621536.db2.gz MIIRPHZCBCKTAU-TZMCWYRMSA-N 1 0 273.376 3.357 20 10 CGCDRO CC[C@H](O)CC[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000168826521 372621856 /nfs/dbraw/zinc/62/18/56/372621856.db2.gz MIIRPHZCBCKTAU-JSGCOSHPSA-N 1 0 273.376 3.357 20 10 CGCDRO C[C@H]([NH2+]C[C@@](C)(O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000169136163 372625615 /nfs/dbraw/zinc/62/56/15/372625615.db2.gz STJKBXRVEOWLTN-HNAYVOBHSA-N 1 0 298.430 3.311 20 10 CGCDRO COc1ccncc1C[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000294262694 372631056 /nfs/dbraw/zinc/63/10/56/372631056.db2.gz LMMNVJPTFSLBGN-CYBMUJFWSA-N 1 0 286.375 3.263 20 10 CGCDRO CC[C@H](C)[C@H](C[NH2+][C@@H](C)c1ccccc1O)OC ZINC000294285533 372639678 /nfs/dbraw/zinc/63/96/78/372639678.db2.gz TVISGQGDAXGWMA-HUBLWGQQSA-N 1 0 251.370 3.104 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](CC)C(C)(C)O)c1ccc(F)cc1[O-] ZINC000294552888 372659620 /nfs/dbraw/zinc/65/96/20/372659620.db2.gz BHVYFPCXIYKJHS-OCCSQVGLSA-N 1 0 269.360 3.122 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)C(C)(C)O ZINC000294929067 372680123 /nfs/dbraw/zinc/68/01/23/372680123.db2.gz HHZXSBLQHZNNHI-ZANVPECISA-N 1 0 271.788 3.246 20 10 CGCDRO Cc1cccnc1CCC[NH2+]Cc1ccc(N(C)C)cc1 ZINC000294943881 372680496 /nfs/dbraw/zinc/68/04/96/372680496.db2.gz HCOJLRLDDXQKHC-UHFFFAOYSA-N 1 0 283.419 3.178 20 10 CGCDRO CN(C)c1ccc(C[NH+]2CCC(CF)CC2)cc1F ZINC000294957528 372682577 /nfs/dbraw/zinc/68/25/77/372682577.db2.gz DNYWBOMIDPUEFV-UHFFFAOYSA-N 1 0 268.351 3.073 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](CC)C(C)(C)O)c1ccc(C)cc1O ZINC000295028686 372687767 /nfs/dbraw/zinc/68/77/67/372687767.db2.gz OIHNVHNTOCSDEL-HIFRSBDPSA-N 1 0 265.397 3.291 20 10 CGCDRO CO[C@H]1CC[N@H+](Cc2cc(C)c(C)cc2O)CC1(C)C ZINC000295045624 372687792 /nfs/dbraw/zinc/68/77/92/372687792.db2.gz PAHWBKIVTUHCDS-INIZCTEOSA-N 1 0 277.408 3.256 20 10 CGCDRO COc1ccc(CC[NH2+][C@H]2CCc3cccc(O)c32)cc1 ZINC000295930977 372962025 /nfs/dbraw/zinc/96/20/25/372962025.db2.gz KGHRKUYQVMJPAK-INIZCTEOSA-N 1 0 283.371 3.220 20 10 CGCDRO CCOC[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)C(C)C ZINC000296360684 373104869 /nfs/dbraw/zinc/10/48/69/373104869.db2.gz HZPJGJVLLFXAJM-KGLIPLIRSA-N 1 0 263.381 3.030 20 10 CGCDRO C[C@@](O)(C[NH2+][C@@H]1CCc2cccc(O)c21)C1CCCCC1 ZINC000296539874 373170375 /nfs/dbraw/zinc/17/03/75/373170375.db2.gz SHCHBDXENLHIFH-CRAIPNDOSA-N 1 0 289.419 3.300 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)CCCCO)c1cc(Cl)ccc1O ZINC000296579490 373184590 /nfs/dbraw/zinc/18/45/90/373184590.db2.gz UFNMZMPMPQWABI-WDEREUQCSA-N 1 0 271.788 3.247 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]CCOCc1ccccc1)CC2 ZINC000297651731 373276472 /nfs/dbraw/zinc/27/64/72/373276472.db2.gz KEWKKGDUNXJNKK-INIZCTEOSA-N 1 0 283.371 3.186 20 10 CGCDRO Cc1noc(C)c1C[C@@H](C)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297883416 373283647 /nfs/dbraw/zinc/28/36/47/373283647.db2.gz VDRXPRXRFKVRIE-MEBBXXQBSA-N 1 0 286.375 3.205 20 10 CGCDRO CS[C@@H]1CCCC[N@H+](Cc2ccccc2O)C1 ZINC000179586880 373890996 /nfs/dbraw/zinc/89/09/96/373890996.db2.gz AUJWBPBVQGKWEZ-CYBMUJFWSA-N 1 0 251.395 3.110 20 10 CGCDRO Cc1cccc(C[N@H+]2CCC[C@H]2c2cccn2C)c1O ZINC000179598405 373893672 /nfs/dbraw/zinc/89/36/72/373893672.db2.gz MEODAQLCLSVLLP-INIZCTEOSA-N 1 0 270.376 3.376 20 10 CGCDRO CC[C@@H](CCO)C[NH2+][C@@H](CC)c1ccc(N(C)C)cc1 ZINC000166797406 261393346 /nfs/dbraw/zinc/39/33/46/261393346.db2.gz DOPVEZJWGLVJRK-YOEHRIQHSA-N 1 0 278.440 3.202 20 10 CGCDRO Cc1ccc(O)c(C[N@H+]2CCC[C@@H]2c2cccn2C)c1 ZINC000179708747 373907884 /nfs/dbraw/zinc/90/78/84/373907884.db2.gz QQTKQCALZCZTMY-MRXNPFEDSA-N 1 0 270.376 3.376 20 10 CGCDRO COc1ccc(O)c(C[N@H+](C)Cc2ccccc2)c1 ZINC000183369625 374405665 /nfs/dbraw/zinc/40/56/65/374405665.db2.gz XLAUKGIBPBWFMY-UHFFFAOYSA-N 1 0 257.333 3.033 20 10 CGCDRO CC[C@H]([NH2+]CCOCC(F)F)c1ccc(N(C)C)cc1 ZINC000188751406 375264753 /nfs/dbraw/zinc/26/47/53/375264753.db2.gz XYAPSFCJVBFCRU-AWEZNQCLSA-N 1 0 286.366 3.075 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)c2ccnn2C)cc1 ZINC000192696797 375780449 /nfs/dbraw/zinc/78/04/49/375780449.db2.gz BRDSQNWDRHLHJH-CQSZACIVSA-N 1 0 286.423 3.117 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CCCC(F)(F)F)cc1F ZINC000266588558 378024623 /nfs/dbraw/zinc/02/46/23/378024623.db2.gz MVAIZPJBJRSFEF-UHFFFAOYSA-N 1 0 278.293 3.324 20 10 CGCDRO C[C@@H]([NH2+]C[C@H](C)N(C)C)c1ccc(N2CCCCC2)cc1 ZINC000268827984 378124408 /nfs/dbraw/zinc/12/44/08/378124408.db2.gz BNWZSABYFYGLGY-JKSUJKDBSA-N 1 0 289.467 3.278 20 10 CGCDRO CC[C@H](CO)[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000268733018 378098386 /nfs/dbraw/zinc/09/83/86/378098386.db2.gz UOUDVLGHPNBHNB-NVXWUHKLSA-N 1 0 290.451 3.489 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](C)C[C@H](C)O)c1ccc(N(C)C)cc1 ZINC000269067434 378183123 /nfs/dbraw/zinc/18/31/23/378183123.db2.gz VYSVFNTVAIIIER-ZQIUZPCESA-N 1 0 278.440 3.200 20 10 CGCDRO COC1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000271043199 378435331 /nfs/dbraw/zinc/43/53/31/378435331.db2.gz OGRQHCQRGWIRJJ-UHFFFAOYSA-N 1 0 288.435 3.288 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)c1 ZINC000271708035 378500131 /nfs/dbraw/zinc/50/01/31/378500131.db2.gz ADLWIBNMTHOUGX-OAHLLOKOSA-N 1 0 272.348 3.066 20 10 CGCDRO Cc1cc(C)cc([C@H](O)C[NH2+][C@@H](C)c2ccccc2O)c1 ZINC000271699010 378500707 /nfs/dbraw/zinc/50/07/07/378500707.db2.gz SYPFLSCETZWFEH-KBXCAEBGSA-N 1 0 285.387 3.393 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)c1O ZINC000271711915 378500720 /nfs/dbraw/zinc/50/07/20/378500720.db2.gz BBDSSNLGPUCGKO-OAHLLOKOSA-N 1 0 256.349 3.366 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCO[C@H](c3ccccc3)C2)c1O ZINC000271802218 378504545 /nfs/dbraw/zinc/50/45/45/378504545.db2.gz LNYNIPSAHWNGHT-KRWDZBQOSA-N 1 0 283.371 3.274 20 10 CGCDRO CC(C)C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)CCO1 ZINC000271979946 378535537 /nfs/dbraw/zinc/53/55/37/378535537.db2.gz JNDRBIMNNTULHT-FUHWJXTLSA-N 1 0 290.451 3.436 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CCSC1)c1cc(Cl)ccc1O ZINC000273345799 378742318 /nfs/dbraw/zinc/74/23/18/378742318.db2.gz ARFDYDFSSPSHFM-SCZZXKLOSA-N 1 0 257.786 3.202 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCCOCC2CC2)c(O)c1C ZINC000273374713 378744220 /nfs/dbraw/zinc/74/42/20/378744220.db2.gz GYBWMMMHOAVVCH-AWEZNQCLSA-N 1 0 277.408 3.476 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCc2ccccn2)c(O)c1C ZINC000273434960 378745423 /nfs/dbraw/zinc/74/54/23/378745423.db2.gz WRHKXSYZIILMAG-CQSZACIVSA-N 1 0 270.376 3.297 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCCOC(C)C)c(O)c1C ZINC000273423112 378746250 /nfs/dbraw/zinc/74/62/50/378746250.db2.gz SOADGNURIWUBEP-AWEZNQCLSA-N 1 0 265.397 3.475 20 10 CGCDRO Cc1nn(C)cc1[C@H](C)[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000273466059 378748999 /nfs/dbraw/zinc/74/89/99/378748999.db2.gz DSSQCUGBZWVIRI-OLZOCXBDSA-N 1 0 287.407 3.463 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)[C@H]1CCOC1 ZINC000273622757 378758011 /nfs/dbraw/zinc/75/80/11/378758011.db2.gz ZOHQEGAJNRFTMR-VWYCJHECSA-N 1 0 269.772 3.121 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c(O)c1C ZINC000273587015 378754717 /nfs/dbraw/zinc/75/47/17/378754717.db2.gz OBCHMOKZVNYNMD-GUDXXQAFSA-N 1 0 289.419 3.473 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@@H]1C)c1cc(Cl)ccc1O ZINC000273575771 378754904 /nfs/dbraw/zinc/75/49/04/378754904.db2.gz LVQODASZQQKXHF-ZIBATOQPSA-N 1 0 294.826 3.179 20 10 CGCDRO CCC[C@@H](CCO)C[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000273607200 378755864 /nfs/dbraw/zinc/75/58/64/378755864.db2.gz UNCHHFZENCRBJI-CABCVRRESA-N 1 0 279.424 3.458 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccsc2)c(O)c1C ZINC000273600582 378755906 /nfs/dbraw/zinc/75/59/06/378755906.db2.gz RUAVKELEDMKOPT-SWLSCSKDSA-N 1 0 291.416 3.455 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)COCC(F)(F)F)c(O)c1 ZINC000273595070 378755951 /nfs/dbraw/zinc/75/59/51/378755951.db2.gz QFJYPDOOKMHMID-WDEREUQCSA-N 1 0 291.313 3.319 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]CCC[C@H]1CCCCO1 ZINC000273831449 378760082 /nfs/dbraw/zinc/76/00/82/378760082.db2.gz PUYIMDBRZPBXDW-GFCCVEGCSA-N 1 0 283.799 3.485 20 10 CGCDRO COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](OC)CC2)c1O ZINC000372952883 379206034 /nfs/dbraw/zinc/20/60/34/379206034.db2.gz YEMWKODWKBTOKG-CYBMUJFWSA-N 1 0 299.798 3.055 20 10 CGCDRO Cn1cc([C@H]([NH2+]Cc2ccccc2O)c2ccccc2)cn1 ZINC000374644335 379473489 /nfs/dbraw/zinc/47/34/89/379473489.db2.gz HIGYDKKOLLNLKE-GOSISDBHSA-N 1 0 293.370 3.005 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCc3nn(C)cc32)c(O)c1C ZINC000282489786 379931302 /nfs/dbraw/zinc/93/13/02/379931302.db2.gz QXVPWLXTGJFNQO-XJKSGUPXSA-N 1 0 299.418 3.471 20 10 CGCDRO CCCC[N@H+](CCC1OCCCO1)Cc1ccccc1O ZINC000282544266 379942185 /nfs/dbraw/zinc/94/21/85/379942185.db2.gz WLANNWPMJAGEMM-UHFFFAOYSA-N 1 0 293.407 3.147 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CSC2(C)C)c1 ZINC000283200802 380045257 /nfs/dbraw/zinc/04/52/57/380045257.db2.gz LHOYSFOFUDPYDD-ZWNOBZJWSA-N 1 0 251.395 3.245 20 10 CGCDRO Cc1noc(C)c1C[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000284258140 380137376 /nfs/dbraw/zinc/13/73/76/380137376.db2.gz WDHOAMMALWJVEB-GFCCVEGCSA-N 1 0 274.364 3.465 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2cccc(CO)c2)c(O)c1 ZINC000284201520 380137427 /nfs/dbraw/zinc/13/74/27/380137427.db2.gz SDLYGSAQNYPZBT-CQSZACIVSA-N 1 0 285.387 3.352 20 10 CGCDRO Oc1cccc(Cl)c1C[NH+]1CCC2(CCOCC2)CC1 ZINC000285117764 380145920 /nfs/dbraw/zinc/14/59/20/380145920.db2.gz NQAWHMQHAPARTP-UHFFFAOYSA-N 1 0 295.810 3.438 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCCOCC2CC2)c1 ZINC000035628925 260030916 /nfs/dbraw/zinc/03/09/16/260030916.db2.gz VKGVMCBKJUKBCS-CYBMUJFWSA-N 1 0 263.381 3.168 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]C1Cc3ccccc3C1)CC2 ZINC000296325366 285397558 /nfs/dbraw/zinc/39/75/58/285397558.db2.gz GAOJWHLOLWCAMI-MRXNPFEDSA-N 1 0 265.356 3.137 20 10 CGCDRO CC(C)(O)c1ccc(C[NH2+][C@H]2CCc3cccc(O)c32)cc1 ZINC000296396019 392558586 /nfs/dbraw/zinc/55/85/86/392558586.db2.gz KCFGEBNABHNTSC-INIZCTEOSA-N 1 0 297.398 3.397 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cccc(CO)c1)c1ccc(N(C)C)cc1 ZINC000177841031 392668762 /nfs/dbraw/zinc/66/87/62/392668762.db2.gz WOEIPOZHNWGSTI-LJQANCHMSA-N 1 0 298.430 3.486 20 10 CGCDRO COc1cccc(C[N@@H+]2CC[C@@H](Oc3ccccc3)C2)c1O ZINC000374258029 392673280 /nfs/dbraw/zinc/67/32/80/392673280.db2.gz HUNHPRSHMDFXCH-MRXNPFEDSA-N 1 0 299.370 3.054 20 10 CGCDRO CC[C@@H]([NH2+][C@H]1CCc2c[nH]nc2C1)c1ccc(N(C)C)cc1 ZINC000374469351 392679762 /nfs/dbraw/zinc/67/97/62/392679762.db2.gz QBLAWPILYOAXHH-DOTOQJQBSA-N 1 0 298.434 3.074 20 10 CGCDRO CC[N@H+](Cc1ccc(OC)cc1)Cc1ccccc1O ZINC000179561621 392701976 /nfs/dbraw/zinc/70/19/76/392701976.db2.gz VJLFBSSJNRYXDC-UHFFFAOYSA-N 1 0 271.360 3.423 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](CO)c2ccccc2)cc1 ZINC000236932676 393034628 /nfs/dbraw/zinc/03/46/28/393034628.db2.gz VFVOVHJYAHSGNU-IBGZPJMESA-N 1 0 298.430 3.356 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc2c(c1)OCO2)c1ccccc1O ZINC000020124434 171007206 /nfs/dbraw/zinc/00/72/06/171007206.db2.gz GEKRDLHVDVCVAC-CQSZACIVSA-N 1 0 285.343 3.362 20 10 CGCDRO CCC(CC)[C@@H](C[NH2+][C@@H](C)c1ccccc1O)N(C)C ZINC000020202040 171066189 /nfs/dbraw/zinc/06/61/89/171066189.db2.gz SHFBIMDPLUOHPR-XJKSGUPXSA-N 1 0 278.440 3.409 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCCOC(C)C)c1 ZINC000035628942 172308094 /nfs/dbraw/zinc/30/80/94/172308094.db2.gz WVBWIBLSSCYVQH-ZDUSSCGKSA-N 1 0 251.370 3.166 20 10 CGCDRO Cc1csc(C[NH2+][C@H](C)c2cc(C)ccc2O)n1 ZINC000038090952 174104595 /nfs/dbraw/zinc/10/45/95/174104595.db2.gz GFGBZRGYSQGSRK-LLVKDONJSA-N 1 0 262.378 3.316 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2cccnc2)cc1 ZINC000151081011 260977616 /nfs/dbraw/zinc/97/76/16/260977616.db2.gz IZHDZVPCJLWGTL-AWEZNQCLSA-N 1 0 269.392 3.389 20 10 CGCDRO CC[C@@H]([NH2+][C@H](C)Cc1cc(C)n[nH]1)c1ccccc1O ZINC000156771168 261131401 /nfs/dbraw/zinc/13/14/01/261131401.db2.gz RRIJQTZFEOSKKT-IAQYHMDHSA-N 1 0 273.380 3.096 20 10 CGCDRO CC[N@H+](Cc1cncs1)Cc1ccc(N(C)C)cc1 ZINC000156837800 261133831 /nfs/dbraw/zinc/13/38/31/261133831.db2.gz ZYAQVMBFWWMBHY-UHFFFAOYSA-N 1 0 275.421 3.231 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCO[C@H](C3CC3)C2)c1 ZINC000157884968 261154676 /nfs/dbraw/zinc/15/46/76/261154676.db2.gz FBAHDMRHLPWYOY-NDGTYSDOSA-N 1 0 291.391 3.009 20 10 CGCDRO C[C@H]([NH2+]C[C@@H](CO)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000161456725 261247019 /nfs/dbraw/zinc/24/70/19/261247019.db2.gz UBMAGYSIZKOGAK-YJBOKZPZSA-N 1 0 298.430 3.179 20 10 CGCDRO CC(C)[C@@H](CO)[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000162726576 261292142 /nfs/dbraw/zinc/29/21/42/261292142.db2.gz KGTGQHJCTVABJW-MAUKXSAKSA-N 1 0 290.451 3.344 20 10 CGCDRO CN1[C@@H]2CC[C@H]1CC[N@@H+](Cc1c(O)ccc3ccccc31)C2 ZINC000174084291 261557360 /nfs/dbraw/zinc/55/73/60/261557360.db2.gz KVOMZUWNOUJQOU-JKSUJKDBSA-N 1 0 296.414 3.214 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H](C)COC)c1ccc(N(C)C)cc1 ZINC000178670809 261755209 /nfs/dbraw/zinc/75/52/09/261755209.db2.gz KCILLWLPOJOCTD-CZUORRHYSA-N 1 0 264.413 3.076 20 10 CGCDRO CC[C@@H]([NH2+]CCCCCCO)c1ccc(N(C)C)cc1 ZINC000182148427 261926125 /nfs/dbraw/zinc/92/61/25/261926125.db2.gz RMOBCKBLJCAHBI-QGZVFWFLSA-N 1 0 278.440 3.346 20 10 CGCDRO Cc1ccc([C@@H](O)C[NH2+][C@H](C)c2cc(F)ccc2O)cc1 ZINC000185099437 262041043 /nfs/dbraw/zinc/04/10/43/262041043.db2.gz AJMBMOSJJCBENZ-PXAZEXFGSA-N 1 0 289.350 3.224 20 10 CGCDRO CC[C@H](C)NC(=O)CC[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000185154826 262043970 /nfs/dbraw/zinc/04/39/70/262043970.db2.gz YXSHQQKGQKCVLF-WDEREUQCSA-N 1 0 298.814 3.001 20 10 CGCDRO COCC[C@H](C)[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000185290331 262049135 /nfs/dbraw/zinc/04/91/35/262049135.db2.gz SJTYNCHNNDGDMT-VHSXEESVSA-N 1 0 257.761 3.121 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccccc2C)c(O)c1 ZINC000185435544 262053871 /nfs/dbraw/zinc/05/38/71/262053871.db2.gz QPPXZKPMSHRCNQ-RDTXWAMCSA-N 1 0 285.387 3.393 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@](C)(O)c2ccccc2)c(O)c1 ZINC000185454357 262054972 /nfs/dbraw/zinc/05/49/72/262054972.db2.gz WCSGMRUMMLBNBV-KBXCAEBGSA-N 1 0 285.387 3.259 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@](C)(O)c2cccs2)c(O)c1 ZINC000185519229 262057606 /nfs/dbraw/zinc/05/76/06/262057606.db2.gz BLPSFKPCNNIBAI-LRDDRELGSA-N 1 0 291.416 3.320 20 10 CGCDRO C[C@H]([NH2+]CCCc1ccccn1)c1cc(F)ccc1O ZINC000186141023 262081768 /nfs/dbraw/zinc/08/17/68/262081768.db2.gz NIQABFAZVVXULL-LBPRGKRZSA-N 1 0 274.339 3.210 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CC(C)(C)[C@@H](O)C(C)C)c1 ZINC000186174576 262082696 /nfs/dbraw/zinc/08/26/96/262082696.db2.gz FCPHQDCTNCDLOW-BBRMVZONSA-N 1 0 279.424 3.394 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCCOCC1)c1cc(Cl)ccc1O ZINC000186234041 262085580 /nfs/dbraw/zinc/08/55/80/262085580.db2.gz SKQWSTGLEDYTKL-CMPLNLGQSA-N 1 0 269.772 3.265 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CC(C)(C)OC2(C)C)c1 ZINC000186499856 262095574 /nfs/dbraw/zinc/09/55/74/262095574.db2.gz LAKHBRYXLFUUHW-NHYWBVRUSA-N 1 0 293.407 3.398 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2COc3ccccc3C2)c1 ZINC000185224329 262302673 /nfs/dbraw/zinc/30/26/73/262302673.db2.gz GFUDGZMKFHOQED-GXTWGEPZSA-N 1 0 299.370 3.055 20 10 CGCDRO CO[C@H]1CC[N@H+](Cc2ccc(N(C)C)c(C)c2)CC1(C)C ZINC000296268018 263188988 /nfs/dbraw/zinc/18/89/88/263188988.db2.gz YNACYCWVBZCGOK-KRWDZBQOSA-N 1 0 290.451 3.308 20 10 CGCDRO COc1cc(O)c(C[NH+]2CCC(C3CC3)CC2)cc1OC ZINC000368162543 267150201 /nfs/dbraw/zinc/15/02/01/267150201.db2.gz KYNZSEVOEJTGCP-UHFFFAOYSA-N 1 0 291.391 3.031 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCOCC3(CCC3)C2)cc1C ZINC000368280754 267159207 /nfs/dbraw/zinc/15/92/07/267159207.db2.gz DLQRACCYFYNKID-UHFFFAOYSA-N 1 0 275.392 3.012 20 10 CGCDRO CO[C@@H]1CCC[N@H+](Cc2cc(C)c(C)cc2O)CC1 ZINC000370704657 267340916 /nfs/dbraw/zinc/34/09/16/267340916.db2.gz ALGIHHMKJUOGDZ-OAHLLOKOSA-N 1 0 263.381 3.010 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCc2ccccc2OC1)c1ccccc1O ZINC000376758413 268014293 /nfs/dbraw/zinc/01/42/93/268014293.db2.gz OTVYYACWNOELLN-ZFWWWQNUSA-N 1 0 283.371 3.437 20 10 CGCDRO CCC1(C[NH2+][C@H]2CCc3cccc(O)c32)CCOCC1 ZINC000297581290 275964501 /nfs/dbraw/zinc/96/45/01/275964501.db2.gz HEEBQABYAWIEDQ-AWEZNQCLSA-N 1 0 275.392 3.176 20 10 CGCDRO CCC[C@]1(CO)CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000377840218 329031388 /nfs/dbraw/zinc/03/13/88/329031388.db2.gz QCWJEOOYQFOAAO-HNNXBMFYSA-N 1 0 283.799 3.030 20 10 CGCDRO CC[C@H](C[NH2+]Cc1ccc(N2CCCCC2)cc1)OC ZINC000289976910 328150818 /nfs/dbraw/zinc/15/08/18/328150818.db2.gz ZJQVVVYEDUFKBX-QGZVFWFLSA-N 1 0 276.424 3.192 20 10 CGCDRO CCn1cc[nH+]c1NCc1c(C)c2ccccc2n1C ZINC000414294621 328154094 /nfs/dbraw/zinc/15/40/94/328154094.db2.gz DNLNLFHKYKNZDK-UHFFFAOYSA-N 1 0 268.364 3.315 20 10 CGCDRO CC(C)[C@@H](O)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000268966214 328187563 /nfs/dbraw/zinc/18/75/63/328187563.db2.gz YUVHBCVFNAQRNR-YJBOKZPZSA-N 1 0 290.451 3.344 20 10 CGCDRO COC[C@H]1CCCC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000375096367 329000317 /nfs/dbraw/zinc/00/03/17/329000317.db2.gz GGMOTVNLHMBGNU-HNNXBMFYSA-N 1 0 294.414 3.140 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](c3ccco3)C2)c1 ZINC000378345096 329046780 /nfs/dbraw/zinc/04/67/80/329046780.db2.gz HBGHQMGNDRLDBP-ZDUSSCGKSA-N 1 0 287.359 3.373 20 10 CGCDRO C[C@]1(c2ccccc2)C[N@H+](Cc2ccccc2O)CCO1 ZINC000179574033 329209614 /nfs/dbraw/zinc/20/96/14/329209614.db2.gz FTUQLTGHLTYWLV-GOSISDBHSA-N 1 0 283.371 3.140 20 10 CGCDRO CC[C@H]([NH2+]CC[C@@H]1CCCOC1)c1ccccc1O ZINC000527922710 330295888 /nfs/dbraw/zinc/29/58/88/330295888.db2.gz ANKIKFKWNXLJAZ-ZFWWWQNUSA-N 1 0 263.381 3.250 20 10 CGCDRO Cn1cc2ccc(C[NH2+][C@@H]3CCc4cccc(O)c43)cc2n1 ZINC000527964272 330301001 /nfs/dbraw/zinc/30/10/01/330301001.db2.gz URESMWWPWULHCI-OAHLLOKOSA-N 1 0 293.370 3.056 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)c(O)c1C ZINC000528008356 330303588 /nfs/dbraw/zinc/30/35/88/330303588.db2.gz SJEKSLWOZYQBAR-HAFSJTIUSA-N 1 0 277.408 3.472 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2[C@H](C)O[C@H](C)[C@H]2C)c(O)c1C ZINC000528008354 330303661 /nfs/dbraw/zinc/30/36/61/330303661.db2.gz SJEKSLWOZYQBAR-AQRJEWBLSA-N 1 0 277.408 3.472 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)N[C@H]2CC[NH2+]C23CCC3)c1O ZINC000530215517 333528162 /nfs/dbraw/zinc/52/81/62/333528162.db2.gz GZTAOXYOLUVEKC-FZMZJTMJSA-N 1 0 294.826 3.289 20 10 CGCDRO CO[C@@H](C[NH2+][C@@H](C)c1cc(C)ccc1O)C(C)C ZINC000273609116 334768023 /nfs/dbraw/zinc/76/80/23/334768023.db2.gz VEEGUSOBZAAWKJ-WFASDCNBSA-N 1 0 251.370 3.022 20 10 CGCDRO CCOCc1cc(C[NH2+][C@@H]2CC2(C)C)ccc1OC ZINC000299462286 520186263 /nfs/dbraw/zinc/18/62/63/520186263.db2.gz FMCVGNIDBACIQG-OAHLLOKOSA-N 1 0 263.381 3.120 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCc2nccs2)cc1 ZINC000127865820 520283847 /nfs/dbraw/zinc/28/38/47/520283847.db2.gz WJVLLGCNALOJOS-CYBMUJFWSA-N 1 0 289.448 3.493 20 10 CGCDRO CC[N@@H+](Cc1ccc(N(C)C)cc1)C[C@@H]1CCSC1 ZINC000279509777 521320782 /nfs/dbraw/zinc/32/07/82/521320782.db2.gz NJKJHJHIPLJITR-HNNXBMFYSA-N 1 0 278.465 3.328 20 10 CGCDRO CC[N@H+](Cc1cccc(OC)c1O)[C@H](C)c1cccnc1 ZINC000290338208 521354573 /nfs/dbraw/zinc/35/45/73/521354573.db2.gz FFGLDCFKFPNHJV-CYBMUJFWSA-N 1 0 286.375 3.379 20 10 CGCDRO CCC[N@H+](CCC(=O)C(C)C)Cc1ccccc1O ZINC000290332201 521628233 /nfs/dbraw/zinc/62/82/33/521628233.db2.gz OXYUJQLPVPSCSG-UHFFFAOYSA-N 1 0 263.381 3.219 20 10 CGCDRO CCC(O)(CC)CC[NH2+][C@H](C)c1cc(C)ccc1O ZINC000276745963 521652375 /nfs/dbraw/zinc/65/23/75/521652375.db2.gz ZWEFDVGLXKDDEI-CYBMUJFWSA-N 1 0 265.397 3.292 20 10 CGCDRO CCC[N@H+](Cc1ccncc1)Cc1ccccc1O ZINC000076074540 521691140 /nfs/dbraw/zinc/69/11/40/521691140.db2.gz VWVRDGQKHKSUKN-UHFFFAOYSA-N 1 0 256.349 3.199 20 10 CGCDRO CCCN(Cc1ncc(C)s1)c1ccc(C[NH3+])cc1 ZINC000297006671 521694946 /nfs/dbraw/zinc/69/49/46/521694946.db2.gz WLVNTXDZNVFAAX-UHFFFAOYSA-N 1 0 275.421 3.327 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](O)c1ccc(C)o1)c1ccc(C)cc1O ZINC000279974125 522614071 /nfs/dbraw/zinc/61/40/71/522614071.db2.gz DFKJVAIZZWPYQI-GOEBONIOSA-N 1 0 289.375 3.376 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)Cn1cccn1)c1ccc(N(C)C)cc1 ZINC000271468603 522690655 /nfs/dbraw/zinc/69/06/55/522690655.db2.gz LGMXMMVMMCGKJZ-YOEHRIQHSA-N 1 0 286.423 3.079 20 10 CGCDRO CC[C@@H]([NH2+]CC[C@H](C)CCO)c1ccc(N(C)C)cc1 ZINC000297353793 522839962 /nfs/dbraw/zinc/83/99/62/522839962.db2.gz PGLSBSHTLIGJPT-WMLDXEAASA-N 1 0 278.440 3.202 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H](O)c1ccc(C)o1)c1ccc(C)cc1O ZINC000279974139 522865231 /nfs/dbraw/zinc/86/52/31/522865231.db2.gz DFKJVAIZZWPYQI-ZBFHGGJFSA-N 1 0 289.375 3.376 20 10 CGCDRO COC(=O)CCCCC[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000289915134 522993316 /nfs/dbraw/zinc/99/33/16/522993316.db2.gz VIKPULZTBBZPKC-UHFFFAOYSA-N 1 0 299.798 3.177 20 10 CGCDRO Cc1cccc(CCC[NH2+][C@@H]2CCc3cccc(O)c32)n1 ZINC000297279817 524353634 /nfs/dbraw/zinc/35/36/34/524353634.db2.gz LFJNVSINARZLDW-MRXNPFEDSA-N 1 0 282.387 3.305 20 10 CGCDRO C[C@H](CO)[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000129344054 524567477 /nfs/dbraw/zinc/56/74/77/524567477.db2.gz PQPTZJPMFAVENR-HUUCEWRRSA-N 1 0 276.424 3.098 20 10 CGCDRO C[C@H]([NH2+]CC1(C)COC1)c1ccc2ccccc2c1O ZINC000094721581 525316797 /nfs/dbraw/zinc/31/67/97/525316797.db2.gz MOVWKUVVMLYLMS-LBPRGKRZSA-N 1 0 271.360 3.233 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1CCC(F)(F)C1)c1ccccc1O ZINC000280879305 525411035 /nfs/dbraw/zinc/41/10/35/525411035.db2.gz COCZHJFVSNASGH-QWRGUYRKSA-N 1 0 255.308 3.478 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1CCC(F)(F)C1)c1ccccc1O ZINC000280879295 525499336 /nfs/dbraw/zinc/49/93/36/525499336.db2.gz COCZHJFVSNASGH-MNOVXSKESA-N 1 0 255.308 3.478 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)OCO2)c1cc(F)ccc1O ZINC000094616846 525531199 /nfs/dbraw/zinc/53/11/99/525531199.db2.gz IJZQDMOKUMQPIX-SNVBAGLBSA-N 1 0 289.306 3.111 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccccc1O)[C@H]1OCCc2sccc21 ZINC000291656142 525538973 /nfs/dbraw/zinc/53/89/73/525538973.db2.gz DLHUZVLERIORJE-BDJLRTHQSA-N 1 0 289.400 3.246 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCSC2)c(O)c1 ZINC000228551742 525727813 /nfs/dbraw/zinc/72/78/13/525727813.db2.gz VJTDLVJHTWSFPX-NEPJUHHUSA-N 1 0 251.395 3.104 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cc3c(cc2O)OCO3)cc1 ZINC000042880227 525729974 /nfs/dbraw/zinc/72/99/74/525729974.db2.gz SPNQUHFPVMLNBY-GFCCVEGCSA-N 1 0 285.343 3.280 20 10 CGCDRO COc1cccc(C[NH2+][C@@H](C)Cc2cccs2)c1O ZINC000036992974 526029224 /nfs/dbraw/zinc/02/92/24/526029224.db2.gz IOXUWYBCSNRGJV-NSHDSACASA-N 1 0 277.389 3.183 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000280387667 526351729 /nfs/dbraw/zinc/35/17/29/526351729.db2.gz AGRQLQSSEPBJHE-VIFPVBQESA-N 1 0 259.271 3.056 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]CCCC(F)(F)F ZINC000097988876 526363417 /nfs/dbraw/zinc/36/34/17/526363417.db2.gz HBEPMOVPVCECJZ-UHFFFAOYSA-N 1 0 267.678 3.478 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CCCN(Cc2ccccc2)CC1 ZINC000127328155 526372851 /nfs/dbraw/zinc/37/28/51/526372851.db2.gz MWJSUZQCCSDFTJ-UHFFFAOYSA-N 1 0 296.414 3.100 20 10 CGCDRO Cc1ncc(C[NH2+]Cc2c(O)cccc2Cl)s1 ZINC000083552441 527271999 /nfs/dbraw/zinc/27/19/99/527271999.db2.gz ADFVWLOZZJWFEB-UHFFFAOYSA-N 1 0 268.769 3.100 20 10 CGCDRO COc1ccc(C[NH2+]C[C@](C)(O)c2cccs2)cc1C ZINC000740015883 571676595 /nfs/dbraw/zinc/67/65/95/571676595.db2.gz CDWVCUNQZGLNIK-INIZCTEOSA-N 1 0 291.416 3.062 20 10 CGCDRO CC1([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCCC1 ZINC000728063733 571786285 /nfs/dbraw/zinc/78/62/85/571786285.db2.gz ZXDUIKUFZUKVNA-UHFFFAOYSA-N 1 0 292.398 3.085 20 10 CGCDRO COc1cccc(C[NH2+]Cc2nccc3ccccc32)c1O ZINC000728783028 571821216 /nfs/dbraw/zinc/82/12/16/571821216.db2.gz XSDGDRQMCMFALL-UHFFFAOYSA-N 1 0 294.354 3.239 20 10 CGCDRO C[C@@H]1C[C@H](C)C[N@H+]1Cc1c(O)ccc2ccncc21 ZINC000740857868 571885656 /nfs/dbraw/zinc/88/56/56/571885656.db2.gz BAKBAWYDGXENMS-NWDGAFQWSA-N 1 0 256.349 3.171 20 10 CGCDRO CCOc1ccc(C[NH2+]CCc2ccc(C)o2)c(O)c1 ZINC000725847430 572440332 /nfs/dbraw/zinc/44/03/32/572440332.db2.gz LTWWIMZHPVMACR-UHFFFAOYSA-N 1 0 275.348 3.025 20 10 CGCDRO Cc1ncc(C[N@H+](Cc2ccccc2O)C2CCCC2)cn1 ZINC000732205035 572451686 /nfs/dbraw/zinc/45/16/86/572451686.db2.gz XTKHEWMKFPKYOZ-UHFFFAOYSA-N 1 0 297.402 3.435 20 10 CGCDRO COc1cc(C)cc(C[N@H+](C)Cc2ccsc2)c1O ZINC000732521373 572469957 /nfs/dbraw/zinc/46/99/57/572469957.db2.gz MKSOCMIEKXOSEW-UHFFFAOYSA-N 1 0 277.389 3.403 20 10 CGCDRO CCN(C)c1ccc(C[N@H+](C)Cc2c(C)noc2C)cc1 ZINC000741752670 572521699 /nfs/dbraw/zinc/52/16/99/572521699.db2.gz DXCHVEQMRAIHQN-UHFFFAOYSA-N 1 0 287.407 3.380 20 10 CGCDRO COc1ccc(N2CCC([NH2+][C@H]3CC[C@H](C)C3)CC2)cc1 ZINC000742369708 572568481 /nfs/dbraw/zinc/56/84/81/572568481.db2.gz OUSOJIVQEQXBRV-HOCLYGCPSA-N 1 0 288.435 3.442 20 10 CGCDRO CCCN(CCC)c1ccc(C[NH2+][C@H](CO)C2CC2)cc1 ZINC000734164061 572637477 /nfs/dbraw/zinc/63/74/77/572637477.db2.gz IQNUPKNXSSAVRV-GOSISDBHSA-N 1 0 290.451 3.174 20 10 CGCDRO C[C@H](c1ccccc1)[C@@H](CO)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000734845734 572687156 /nfs/dbraw/zinc/68/71/56/572687156.db2.gz DEDIBAATONMXEZ-DNVCBOLYSA-N 1 0 298.430 3.007 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)Cc2cccc(N(C)C)c2)cc1 ZINC000743839969 572687239 /nfs/dbraw/zinc/68/72/39/572687239.db2.gz MXLAUQQQCUIWOO-UHFFFAOYSA-N 1 0 297.446 3.451 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccccc2N(C)C)cc1 ZINC000743840080 572687313 /nfs/dbraw/zinc/68/73/13/572687313.db2.gz UGFCRDZTQBRJKG-UHFFFAOYSA-N 1 0 297.446 3.451 20 10 CGCDRO OC[C@H]([NH2+]Cc1cc(Cl)ccc1O)c1ccc(F)cc1 ZINC000734850479 572688022 /nfs/dbraw/zinc/68/80/22/572688022.db2.gz KZYFCOSSLVTDFC-AWEZNQCLSA-N 1 0 295.741 3.008 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCC[C@H]2OC)cc1 ZINC000049948926 618031921 /nfs/dbraw/zinc/03/19/21/618031921.db2.gz XKJWSBRTBWIAFR-IAGOWNOFSA-N 1 0 276.424 3.190 20 10 CGCDRO CC[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(OC)c2O)C1 ZINC000085064252 618049260 /nfs/dbraw/zinc/04/92/60/618049260.db2.gz VICKUMNWUZWDLK-TZMCWYRMSA-N 1 0 263.381 3.459 20 10 CGCDRO c1ccc2c(c1)CC[C@@H]([NH2+]Cc1ccc3c(c1)CCO3)C2 ZINC000048400281 618627122 /nfs/dbraw/zinc/62/71/22/618627122.db2.gz IYIKOSLGGCLKSE-GOSISDBHSA-N 1 0 279.383 3.269 20 10 CGCDRO O=[N+]([O-])c1cccc(C[NH2+]Cc2cc(Cl)ccc2O)c1 ZINC000052926133 618739062 /nfs/dbraw/zinc/73/90/62/618739062.db2.gz ANHWFLUUBSNDQP-UHFFFAOYSA-N 1 0 292.722 3.244 20 10 CGCDRO C[N@H+](Cc1ccco1)Cc1cc(Cl)ccc1O ZINC000162154991 618740920 /nfs/dbraw/zinc/74/09/20/618740920.db2.gz LVXFQRPBXQYEMO-UHFFFAOYSA-N 1 0 251.713 3.271 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1OC)c1ccccc1O ZINC000279506610 618761093 /nfs/dbraw/zinc/76/10/93/618761093.db2.gz NBLYQJJSUAIGST-IIAWOOMASA-N 1 0 263.381 3.391 20 10 CGCDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2ccccc2O)C12CCC2 ZINC000179586580 618795515 /nfs/dbraw/zinc/79/55/15/618795515.db2.gz IHNKQWUZKGCCAZ-JKSUJKDBSA-N 1 0 275.392 3.172 20 10 CGCDRO CCC[N@H+](Cc1cnn2ccccc12)Cc1ccccc1O ZINC000179745442 618800539 /nfs/dbraw/zinc/80/05/39/618800539.db2.gz LEAGIXQNHLRWCH-UHFFFAOYSA-N 1 0 295.386 3.452 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](COC)C(C)C)c1ccc(N(C)C)cc1 ZINC000165918071 618900624 /nfs/dbraw/zinc/90/06/24/618900624.db2.gz SPULZEVSJSQPGG-SJORKVTESA-N 1 0 278.440 3.464 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)CN(C)C(C)C)c1ccccc1O ZINC000311703100 618915449 /nfs/dbraw/zinc/91/54/49/618915449.db2.gz MMNZGLQXMBKPRM-ZFWWWQNUSA-N 1 0 264.413 3.162 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CC2(COC)CCC2)cc1 ZINC000314135272 618959644 /nfs/dbraw/zinc/95/96/44/618959644.db2.gz FQDXVXKUUGSZHI-UHFFFAOYSA-N 1 0 290.451 3.439 20 10 CGCDRO COc1ccc(C[NH2+]C2C[C@@H](C)C[C@H](C)C2)c(O)c1OC ZINC000892991450 618971104 /nfs/dbraw/zinc/97/11/04/618971104.db2.gz KTYJGGAVGYNUON-RYUDHWBXSA-N 1 0 293.407 3.324 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]CC(C1CC1)C1CC1)CC2 ZINC000312101366 619024267 /nfs/dbraw/zinc/02/42/67/619024267.db2.gz UUCXGXKGYRWREA-OAHLLOKOSA-N 1 0 257.377 3.405 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](C)N2CCC(C)CC2)c1 ZINC000185227268 619059173 /nfs/dbraw/zinc/05/91/73/619059173.db2.gz RXFNTVQOCGQUKL-CVEARBPZSA-N 1 0 290.451 3.472 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCCSC2)c(Cl)c1 ZINC000840902330 619072108 /nfs/dbraw/zinc/07/21/08/619072108.db2.gz OBQKNPNLKPOSCR-JTQLQIEISA-N 1 0 271.813 3.339 20 10 CGCDRO CCC(C)(C)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000189994715 619096795 /nfs/dbraw/zinc/09/67/95/619096795.db2.gz YWALGKFSWRAWJT-NSHDSACASA-N 1 0 251.370 3.488 20 10 CGCDRO CCOc1cccc(C[NH2+]C2C(C)(C)C2(C)C)c1O ZINC000092815919 619129167 /nfs/dbraw/zinc/12/91/67/619129167.db2.gz KMLFRLNIERBDEE-UHFFFAOYSA-N 1 0 263.381 3.315 20 10 CGCDRO CCOc1ccc(O)c(C[N@H+](CCCO)CC(C)(C)C)c1 ZINC000093146341 619169661 /nfs/dbraw/zinc/16/96/61/619169661.db2.gz FIVCMNHOYTUIQC-UHFFFAOYSA-N 1 0 295.423 3.021 20 10 CGCDRO CSCC[C@@H](C)[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000093558524 619203695 /nfs/dbraw/zinc/20/36/95/619203695.db2.gz UIOAZABDESCQCR-CYBMUJFWSA-N 1 0 266.454 3.326 20 10 CGCDRO Oc1cc(Br)ccc1C[NH+]1CCCCC1 ZINC000258183339 619210582 /nfs/dbraw/zinc/21/05/82/619210582.db2.gz SUVPJGHDDNMCHM-UHFFFAOYSA-N 1 0 270.170 3.141 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CC2(N(C)C)CCCCC2)cc1 ZINC000020563340 619224764 /nfs/dbraw/zinc/22/47/64/619224764.db2.gz HBMKWLYTUZDRIA-UHFFFAOYSA-N 1 0 289.467 3.107 20 10 CGCDRO CSC(C)(C)C[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840935044 619226775 /nfs/dbraw/zinc/22/67/75/619226775.db2.gz CEQGCZDRAOJMPE-UHFFFAOYSA-N 1 0 266.454 3.292 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1CCCCS1 ZINC000840937162 619227504 /nfs/dbraw/zinc/22/75/04/619227504.db2.gz PGJUPEICRCKBDB-INIZCTEOSA-N 1 0 278.465 3.436 20 10 CGCDRO CCC[C@](C)(CO)[NH2+]Cc1ccc(N(CC)CC)c(F)c1 ZINC000236794033 619230169 /nfs/dbraw/zinc/23/01/69/619230169.db2.gz IIQWISMSXBLFMH-QGZVFWFLSA-N 1 0 296.430 3.313 20 10 CGCDRO Cc1cccc(C[N@@H+]2C[C@H](O)C[C@@H]2c2ccccc2)c1O ZINC000840956787 619268848 /nfs/dbraw/zinc/26/88/48/619268848.db2.gz FAGFSGQDNKKFOH-IAGOWNOFSA-N 1 0 283.371 3.009 20 10 CGCDRO CCOc1ccc(C[NH2+][C@H](C)[C@](C)(OC)C2CC2)c(O)c1 ZINC000840960781 619279653 /nfs/dbraw/zinc/27/96/53/619279653.db2.gz MRXJYGBNZPLQGC-PXAZEXFGSA-N 1 0 293.407 3.084 20 10 CGCDRO CC(C)[NH+](CCN[C@@H](C)c1cc(F)ccc1O)C(C)C ZINC000094616571 619285679 /nfs/dbraw/zinc/28/56/79/619285679.db2.gz FINUQACSIPWCQM-ZDUSSCGKSA-N 1 0 282.403 3.301 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1ccccc1O ZINC000840977954 619309749 /nfs/dbraw/zinc/30/97/49/619309749.db2.gz ZCFPNLPCVROTDT-HNNXBMFYSA-N 1 0 298.430 3.487 20 10 CGCDRO CCCN(c1ccc(C[NH3+])cc1)C1CC2(C1)CO[C@@H](C)C2 ZINC000894046890 619358528 /nfs/dbraw/zinc/35/85/28/619358528.db2.gz PBHFWQBRYGCAEW-NNGSBXSVSA-N 1 0 288.435 3.319 20 10 CGCDRO COc1ccc(C[NH2+]C2CC3(C2)CCCC3)c(O)c1 ZINC000894185315 619408365 /nfs/dbraw/zinc/40/83/65/619408365.db2.gz NNIOZLOWYLQHFN-UHFFFAOYSA-N 1 0 261.365 3.213 20 10 CGCDRO Cc1ccc(C[NH2+]CC[C@H]2CC2(Cl)Cl)c(O)c1 ZINC000877648167 619414326 /nfs/dbraw/zinc/41/43/26/619414326.db2.gz WSZPIECHXRRNEZ-NSHDSACASA-N 1 0 274.191 3.374 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@@H](C)c2nc(C)cs2)c1O ZINC000894217841 619428583 /nfs/dbraw/zinc/42/85/83/619428583.db2.gz FHXABLXDDLAANB-NSHDSACASA-N 1 0 292.404 3.325 20 10 CGCDRO COc1cc(C)cc(C[NH2+]C2CCC(F)(F)CC2)c1O ZINC000894368946 619507437 /nfs/dbraw/zinc/50/74/37/619507437.db2.gz PIOWQRDICCFACI-UHFFFAOYSA-N 1 0 285.334 3.377 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@](C)(OC)CC2)c1O ZINC000894617135 619590344 /nfs/dbraw/zinc/59/03/44/619590344.db2.gz BCSNCPOMTLCWND-KRWDZBQOSA-N 1 0 293.407 3.100 20 10 CGCDRO COc1ccc(C[N@@H+]2CC(C)(C)C[C@H]2C)c(O)c1OC ZINC000894923221 619684367 /nfs/dbraw/zinc/68/43/67/619684367.db2.gz UFARFVXGFQOSMR-LLVKDONJSA-N 1 0 279.380 3.030 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cnc(Cl)s1 ZINC000895152385 619757596 /nfs/dbraw/zinc/75/75/96/619757596.db2.gz ULPBSPLFJNEUGA-UHFFFAOYSA-N 1 0 295.839 3.461 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]C[C@@]1(C)OCCc2ccccc21 ZINC000895639251 619862858 /nfs/dbraw/zinc/86/28/58/619862858.db2.gz LJNIQZBIZDOXOW-LJQANCHMSA-N 1 0 297.398 3.278 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1C[C@]1(C)Br)c1ccccc1O ZINC000895850965 619897330 /nfs/dbraw/zinc/89/73/30/619897330.db2.gz HKPUAPHKKVTDJQ-BREBYQMCSA-N 1 0 284.197 3.216 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2O)CCO1 ZINC000896577423 620029096 /nfs/dbraw/zinc/02/90/96/620029096.db2.gz KXNMKLZPSKAESZ-CYBMUJFWSA-N 1 0 271.360 3.156 20 10 CGCDRO Cc1cccc(C[NH2+]Cc2ccc3c(c2)C[C@H](C)O3)c1O ZINC000896829716 620073018 /nfs/dbraw/zinc/07/30/18/620073018.db2.gz XNTZEAQKCWLGNN-ZDUSSCGKSA-N 1 0 283.371 3.314 20 10 CGCDRO Cc1cccc(C[NH2+]C[C@H]2CCCC3(CCC3)O2)c1O ZINC000896917608 620099839 /nfs/dbraw/zinc/09/98/39/620099839.db2.gz DNKYTWSERNCFLY-OAHLLOKOSA-N 1 0 275.392 3.282 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH+]1CCC(O)(C2CCC2)CC1 ZINC000897035308 620123420 /nfs/dbraw/zinc/12/34/20/620123420.db2.gz QLPIVBVZEMQPMA-UHFFFAOYSA-N 1 0 295.810 3.173 20 10 CGCDRO Cc1ccc(C[NH2+]CC[C@H]2OCCc3ccccc32)c(O)c1 ZINC000897231286 620166471 /nfs/dbraw/zinc/16/64/71/620166471.db2.gz CEKPVJGHPQLXEH-LJQANCHMSA-N 1 0 297.398 3.494 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H]1CC[N@H+](CC)C1)c1ccc(N(C)C)cc1 ZINC000163264911 620210517 /nfs/dbraw/zinc/21/05/17/620210517.db2.gz CBBSQMSMCWQQHP-CRAIPNDOSA-N 1 0 289.467 3.135 20 10 CGCDRO COc1ccc(O)c(C[NH2+]CC[C@H]2CCC(C)(C)CO2)c1 ZINC000897477533 620345547 /nfs/dbraw/zinc/34/55/47/620345547.db2.gz AZYPYPASJCOQLA-CQSZACIVSA-N 1 0 293.407 3.086 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CC[C@@H](C3CC3)O2)cc1C ZINC000897512438 620360272 /nfs/dbraw/zinc/36/02/72/620360272.db2.gz ZHMCIVBIAOJNGD-RDJZCZTQSA-N 1 0 275.392 3.056 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccon1)c1ccc2ccccc2c1O ZINC000148607388 620398752 /nfs/dbraw/zinc/39/87/52/620398752.db2.gz XZFLLQBEAJDUMT-LLVKDONJSA-N 1 0 268.316 3.384 20 10 CGCDRO C[C@@H]([NH3+])c1ccc(NCc2ccc(N(C)C)cc2)cc1 ZINC000841029115 620407468 /nfs/dbraw/zinc/40/74/68/620407468.db2.gz SSUXEDMZNFQVDP-CYBMUJFWSA-N 1 0 269.392 3.384 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CC[C@H]2CCCS2)cc1C ZINC000865724789 620408001 /nfs/dbraw/zinc/40/80/01/620408001.db2.gz HQSGRYAZPCTCMQ-CQSZACIVSA-N 1 0 265.422 3.384 20 10 CGCDRO CC(C)(C)c1nc(C[NH2+]CCc2ccc(N)cc2)cs1 ZINC000841034516 620414752 /nfs/dbraw/zinc/41/47/52/620414752.db2.gz BYIUHOFVDXBRIC-UHFFFAOYSA-N 1 0 289.448 3.355 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1CCN(CC(F)F)C1)c1ccc(C)cc1O ZINC000841765821 620414847 /nfs/dbraw/zinc/41/48/47/620414847.db2.gz VIIMZPXFDRPWGX-TZMCWYRMSA-N 1 0 298.377 3.081 20 10 CGCDRO C[C@@H]1CC2(CC([NH2+]Cc3c(O)cccc3Cl)C2)CO1 ZINC000897779850 620430412 /nfs/dbraw/zinc/43/04/12/620430412.db2.gz CGQJSFFFUSLEOX-RWWNRMGGSA-N 1 0 281.783 3.093 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)Cc1cccnc1 ZINC000897967432 620458540 /nfs/dbraw/zinc/45/85/40/620458540.db2.gz PYDGNZJFSHMSDA-OAHLLOKOSA-N 1 0 283.419 3.177 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCS[C@@H]2C)c1O ZINC000311049013 620555775 /nfs/dbraw/zinc/55/57/75/620555775.db2.gz HZGJMJROQWUKPF-LDYMZIIASA-N 1 0 287.812 3.038 20 10 CGCDRO Oc1ccc(F)cc1C[N@@H+]1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC000898515901 620595126 /nfs/dbraw/zinc/59/51/26/620595126.db2.gz HKEQCUOIBPCOSM-ZIAGYGMSSA-N 1 0 293.382 3.170 20 10 CGCDRO CCc1onc(C)c1C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000927142670 620601514 /nfs/dbraw/zinc/60/15/14/620601514.db2.gz VHQFUTKGIYQIRK-GFCCVEGCSA-N 1 0 287.407 3.462 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]CC[C@@H]2C[C@H]2C2CC2)c1O ZINC000903162152 621607616 /nfs/dbraw/zinc/60/76/16/621607616.db2.gz YZDGEOBWDYYQSI-LNSITVRQSA-N 1 0 275.392 3.488 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cc(N(C)C)ccn1)c1ccccc1O ZINC000903198061 621623289 /nfs/dbraw/zinc/62/32/89/621623289.db2.gz DZBIMLPVCWYZLB-MRXNPFEDSA-N 1 0 285.391 3.094 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+][C@@H]1CCOC13CCCCC3)CC2 ZINC000903269317 621655349 /nfs/dbraw/zinc/65/53/49/621655349.db2.gz VQCIBABDEQBYDD-GOEBONIOSA-N 1 0 287.403 3.461 20 10 CGCDRO CC1(C)CCC[C@H](C[NH2+][C@H]2CCc3cccc(O)c32)O1 ZINC000903356098 621713443 /nfs/dbraw/zinc/71/34/43/621713443.db2.gz OUDGEHWCUYQUAA-KGLIPLIRSA-N 1 0 275.392 3.317 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@]23C[C@H]2COC32CCC2)c(O)c1 ZINC000903363125 621715656 /nfs/dbraw/zinc/71/56/56/621715656.db2.gz HNQRRSQCCVNRCO-JKIFEVAISA-N 1 0 287.403 3.310 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(CCO)cc2)c(O)c1C ZINC000903403136 621740820 /nfs/dbraw/zinc/74/08/20/621740820.db2.gz NNVUGUFXTKDADS-OAHLLOKOSA-N 1 0 299.414 3.395 20 10 CGCDRO CC[C@H]([NH2+][C@H]1COC[C@H]1C1CC1)c1ccc(C)cc1O ZINC000903438199 621747290 /nfs/dbraw/zinc/74/72/90/621747290.db2.gz SRTXJFOEYIPXRX-JYJNAYRXSA-N 1 0 275.392 3.166 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2C[C@@H](OC(C)C)C2)c(O)c1 ZINC000840764447 625559708 /nfs/dbraw/zinc/55/97/08/625559708.db2.gz PUWSJWKHPAZHMV-MELADBBJSA-N 1 0 263.381 3.307 20 10 CGCDRO CCCC[C@H](C)[N@H+](C)Cc1cc(OC)ccc1O ZINC000311090440 622458401 /nfs/dbraw/zinc/45/84/01/622458401.db2.gz YQLYUXNJXZNKMU-LBPRGKRZSA-N 1 0 251.370 3.411 20 10 CGCDRO COc1cccc(C[N@@H+]2CC[C@H](C(C)(C)C)C2)c1O ZINC000163869339 622805991 /nfs/dbraw/zinc/80/59/91/622805991.db2.gz JUHFYAUGZCZMPD-ZDUSSCGKSA-N 1 0 263.381 3.269 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@H+](C[C@@H]2CCOC2)C2CC2)c1 ZINC000164046476 622813779 /nfs/dbraw/zinc/81/37/79/622813779.db2.gz SCTLJKDWKYBFBW-AWEZNQCLSA-N 1 0 275.392 3.010 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCO[C@@H](C)[C@@H]2C)cc1C(C)C ZINC000164189830 622819575 /nfs/dbraw/zinc/81/95/75/622819575.db2.gz DCHJTBQPIAWPSZ-KBPBESRZSA-N 1 0 277.408 3.433 20 10 CGCDRO CC1(C[NH2+]Cc2cc(Br)ccc2O)CCC1 ZINC000165480073 622864264 /nfs/dbraw/zinc/86/42/64/622864264.db2.gz VGOCMWMUQZLGFP-UHFFFAOYSA-N 1 0 284.197 3.435 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CC[C@@H](C)C[C@@H]2C)c1 ZINC000226161179 622948722 /nfs/dbraw/zinc/94/87/22/622948722.db2.gz FTQYGOGTQAJVRF-TYNCELHUSA-N 1 0 263.381 3.315 20 10 CGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@@H]1CCC[C@@H](OC)C1 ZINC000226539248 622980204 /nfs/dbraw/zinc/98/02/04/622980204.db2.gz WZKUFOPHZOJEJZ-IAGOWNOFSA-N 1 0 276.424 3.319 20 10 CGCDRO C[C@@](CO)([NH2+]Cc1cc(Cl)ccc1O)c1ccccc1 ZINC000227212991 623013028 /nfs/dbraw/zinc/01/30/28/623013028.db2.gz NGDALAGVOLEOQM-INIZCTEOSA-N 1 0 291.778 3.043 20 10 CGCDRO CSCC[C@@H](C)[NH2+][C@H](C)c1cc(C)ccc1O ZINC000168787529 623014391 /nfs/dbraw/zinc/01/43/91/623014391.db2.gz AJGDDZRMTUMAIP-VXGBXAGGSA-N 1 0 253.411 3.493 20 10 CGCDRO Oc1ccccc1C[NH2+]C[C@@H]1CSc2ccccc21 ZINC000228413766 623055098 /nfs/dbraw/zinc/05/50/98/623055098.db2.gz KQGFYILMLNCOEA-CYBMUJFWSA-N 1 0 271.385 3.371 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]Cc2ccsc2)c1O ZINC000228668525 623069980 /nfs/dbraw/zinc/06/99/80/623069980.db2.gz POLNPPDJLGWSET-UHFFFAOYSA-N 1 0 283.780 3.406 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000171110387 623132626 /nfs/dbraw/zinc/13/26/26/623132626.db2.gz UFWSIRFACNJKNE-UHFFFAOYSA-N 1 0 299.374 3.293 20 10 CGCDRO CO[C@H]1CCC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000171130160 623134691 /nfs/dbraw/zinc/13/46/91/623134691.db2.gz BTYUNPMQHRLUEO-AWEZNQCLSA-N 1 0 293.407 3.006 20 10 CGCDRO C[C@@H]1CC[C@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000230407471 623237894 /nfs/dbraw/zinc/23/78/94/623237894.db2.gz GIIRGHPDUJRHIW-WBVHZDCISA-N 1 0 288.435 3.049 20 10 CGCDRO CC[C@H]([NH3+])C[NH2+][C@@H](CC)c1ccc(Cl)c(Cl)c1[O-] ZINC000817981000 625632213 /nfs/dbraw/zinc/63/22/13/625632213.db2.gz YUBJWYOTIHCZLI-KWQFWETISA-N 1 0 291.222 3.477 20 10 CGCDRO C[C@@H]1CC[C@H]([NH2+]Cc2cc(F)ccc2O)C[C@@H]1C ZINC000230691893 623267151 /nfs/dbraw/zinc/26/71/51/623267151.db2.gz XUXYONQEEBISLS-SUNKGSAMSA-N 1 0 251.345 3.446 20 10 CGCDRO CC[C@@H](C)C[C@@H](C)[NH2+]Cc1cc(OC)ccc1O ZINC000088293918 623426708 /nfs/dbraw/zinc/42/67/08/623426708.db2.gz DJNLKEYFQMWATK-VXGBXAGGSA-N 1 0 251.370 3.315 20 10 CGCDRO CC(C)(C)OC(=O)CCCCC[NH2+]Cc1ccccc1O ZINC000174643692 623434439 /nfs/dbraw/zinc/43/44/39/623434439.db2.gz QSWKPZARRPXORU-UHFFFAOYSA-N 1 0 293.407 3.384 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]CCOC1CCCC1 ZINC000083552243 625648326 /nfs/dbraw/zinc/64/83/26/625648326.db2.gz YMPXFWGSDIEISA-UHFFFAOYSA-N 1 0 269.772 3.094 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@]2(C)CCCOC2)cc1 ZINC000221372701 623538034 /nfs/dbraw/zinc/53/80/34/623538034.db2.gz QIQPELDGBGFAHK-KRWDZBQOSA-N 1 0 276.424 3.192 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@](C)(CO)C2CCCCC2)cc1 ZINC000152768501 623711204 /nfs/dbraw/zinc/71/12/04/623711204.db2.gz GNBYYXIPJRNCDQ-SFHVURJKSA-N 1 0 290.451 3.174 20 10 CGCDRO Cc1ccc([C@@H](O)C[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC000921578996 625684588 /nfs/dbraw/zinc/68/45/88/625684588.db2.gz NUWGKQNUJPOBPC-SFHVURJKSA-N 1 0 297.398 3.143 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1ccccn1 ZINC000921475262 624598454 /nfs/dbraw/zinc/59/84/54/624598454.db2.gz UIHKVDTZXQJIAO-ZDUSSCGKSA-N 1 0 268.360 3.257 20 10 CGCDRO C[C@H](O)C[NH2+]Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000237547320 624657744 /nfs/dbraw/zinc/65/77/44/624657744.db2.gz ZXGWWSMDNRFHAI-LBPRGKRZSA-N 1 0 293.451 3.458 20 10 CGCDRO CCOC(=O)C1([N@H+](C)Cc2ccccc2O)CCCCC1 ZINC000179580909 624665874 /nfs/dbraw/zinc/66/58/74/624665874.db2.gz RLENPZGBVZLZQK-UHFFFAOYSA-N 1 0 291.391 3.090 20 10 CGCDRO Oc1ccc(Cl)cc1CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000179644293 624672572 /nfs/dbraw/zinc/67/25/72/624672572.db2.gz JMQWNDONPDVUCO-HNNXBMFYSA-N 1 0 294.826 3.106 20 10 CGCDRO CC(C)N(CC(=O)OC(C)(C)C)Cc1cc(F)ccc1O ZINC000180206801 624728552 /nfs/dbraw/zinc/72/85/52/624728552.db2.gz MPYGTMXZJJYFHC-UHFFFAOYSA-N 1 0 297.370 3.083 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C2(C)CCC(C)CC2)c1 ZINC000182188486 624951598 /nfs/dbraw/zinc/95/15/98/624951598.db2.gz TXSWCQAUKNFUHY-UHFFFAOYSA-N 1 0 263.381 3.459 20 10 CGCDRO CC(C)CC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000070976073 625047830 /nfs/dbraw/zinc/04/78/30/625047830.db2.gz MHPCZXAKJKYXMA-INIZCTEOSA-N 1 0 277.408 3.419 20 10 CGCDRO C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000071206823 625065143 /nfs/dbraw/zinc/06/51/43/625065143.db2.gz ZABFLKMDNXXJRU-BBRMVZONSA-N 1 0 258.409 3.347 20 10 CGCDRO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000183532088 625089244 /nfs/dbraw/zinc/08/92/44/625089244.db2.gz BPDRUHBLINDDDE-VXGBXAGGSA-N 1 0 287.407 3.024 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+](C)[C@@H](C)c2cccnc2)c1 ZINC000183726648 625119876 /nfs/dbraw/zinc/11/98/76/625119876.db2.gz CFRUHWQJNGJNQR-ZDUSSCGKSA-N 1 0 256.349 3.289 20 10 CGCDRO CCOc1ccc(O)c(C[N@H+](C)C[C@@H](C)CC)c1 ZINC000091796703 625796377 /nfs/dbraw/zinc/79/63/77/625796377.db2.gz QXAHBFRCAVEKLN-LBPRGKRZSA-N 1 0 251.370 3.269 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCOC[C@H]2C)cc1C(C)C ZINC000073586310 625799754 /nfs/dbraw/zinc/79/97/54/625799754.db2.gz ZIATZXFKJBHQEX-CYBMUJFWSA-N 1 0 263.381 3.045 20 10 CGCDRO C[C@@H]([NH2+]CCCSc1nccs1)c1nccs1 ZINC000091726501 625908616 /nfs/dbraw/zinc/90/86/16/625908616.db2.gz HVAIIBKTJXYUFT-SECBINFHSA-N 1 0 285.463 3.433 20 10 CGCDRO C[C@H](C[NH2+]Cc1ccc2c(c1)CCCO2)CC(F)F ZINC000922209998 625984187 /nfs/dbraw/zinc/98/41/87/625984187.db2.gz VSVITDADHDDVQJ-NSHDSACASA-N 1 0 269.335 3.393 20 10 CGCDRO C[C@@]1(C[NH2+]Cc2ccc3c(c2)CCCO3)CC1(F)F ZINC000922248548 625990059 /nfs/dbraw/zinc/99/00/59/625990059.db2.gz DNIBVRXOARVJSA-AWEZNQCLSA-N 1 0 267.319 3.147 20 10 CGCDRO CCOc1ccc(C[NH2+][C@H]2CCCc3cccnc32)c(O)c1 ZINC000922881319 626062066 /nfs/dbraw/zinc/06/20/66/626062066.db2.gz MYTSZYCGVNTNKY-INIZCTEOSA-N 1 0 298.386 3.353 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@H](C2CC2)[C@@H]2CCCOC2)cc1 ZINC000922894151 626091056 /nfs/dbraw/zinc/09/10/56/626091056.db2.gz YNKBFYKFYSMLNH-SJLPKXTDSA-N 1 0 288.435 3.047 20 10 CGCDRO Cc1cccc(C[NH2+][C@H](C)CCc2ccco2)c1O ZINC000124643963 634477263 /nfs/dbraw/zinc/47/72/63/634477263.db2.gz QDEUUZIXAIXZPS-CYBMUJFWSA-N 1 0 259.349 3.405 20 10 CGCDRO CCc1onc(C)c1C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000922985269 626113283 /nfs/dbraw/zinc/11/32/83/626113283.db2.gz ZEGPBNOAJCCGGQ-VOTSOKGWSA-N 1 0 299.418 3.414 20 10 CGCDRO CCCN(CCC)c1ccc(C[NH2+][C@H]2C[C@H](CO)C2)cc1 ZINC000923009276 626118491 /nfs/dbraw/zinc/11/84/91/626118491.db2.gz YPYUFYGIOAKSTE-QAQDUYKDSA-N 1 0 290.451 3.174 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@]2(C)CCOc3ccccc32)c1 ZINC000923023833 626120332 /nfs/dbraw/zinc/12/03/32/626120332.db2.gz DOPSDHNMNGSZGY-SFHVURJKSA-N 1 0 283.371 3.488 20 10 CGCDRO C[C@]1([NH2+]Cc2ccccc2O)CCOc2ccccc21 ZINC000923027084 626121836 /nfs/dbraw/zinc/12/18/36/626121836.db2.gz XUWKEQALYZLLDX-KRWDZBQOSA-N 1 0 269.344 3.180 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cnc(C)o1)c1ccc(C)cc1O ZINC000840794357 626242877 /nfs/dbraw/zinc/24/28/77/626242877.db2.gz IPHTZOJGPXVAPC-CQSZACIVSA-N 1 0 260.337 3.238 20 10 CGCDRO COc1cccc(O)c1C[NH+]1CC(Cc2ccccc2)C1 ZINC000839128737 626321173 /nfs/dbraw/zinc/32/11/73/626321173.db2.gz UEVOPWHIDDKGIB-UHFFFAOYSA-N 1 0 283.371 3.075 20 10 CGCDRO COc1cccc(C[NH+]2CC(Cc3ccccc3C)C2)c1O ZINC000839131289 626321306 /nfs/dbraw/zinc/32/13/06/626321306.db2.gz IQSNDZVAFPYHJO-UHFFFAOYSA-N 1 0 297.398 3.384 20 10 CGCDRO COc1cccc(C[NH+]2CC(C)(CC(F)(F)F)C2)c1O ZINC000839142922 626323195 /nfs/dbraw/zinc/32/31/95/626323195.db2.gz KYZFFTSYCUJQBI-UHFFFAOYSA-N 1 0 289.297 3.175 20 10 CGCDRO [O-]c1ccc(Cl)c(F)c1C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000839190172 626327951 /nfs/dbraw/zinc/32/79/51/626327951.db2.gz DLQZRGBLDHHDLJ-PTRXPTGYSA-N 1 0 269.747 3.463 20 10 CGCDRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000839192287 626328473 /nfs/dbraw/zinc/32/84/73/626328473.db2.gz OIMDYZYSTHYUDV-OLZOCXBDSA-N 1 0 269.772 3.011 20 10 CGCDRO Cc1cc(O)c(C[NH2+]Cc2ccc(C)c(C)n2)cc1C ZINC000839162848 626330183 /nfs/dbraw/zinc/33/01/83/626330183.db2.gz CIEQDTSSBOKLFN-UHFFFAOYSA-N 1 0 270.376 3.311 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CCC2=CCCC2)cc1F ZINC000753849994 626467504 /nfs/dbraw/zinc/46/75/04/626467504.db2.gz JEJYIKRFIBGSRI-UHFFFAOYSA-N 1 0 262.372 3.482 20 10 CGCDRO CCCC[N@H+](CCOC)Cc1cc(C)cc(C)c1O ZINC000754726995 626585135 /nfs/dbraw/zinc/58/51/35/626585135.db2.gz ZSDBAOXDRZOGHZ-UHFFFAOYSA-N 1 0 265.397 3.258 20 10 CGCDRO C[C@H]1C[C@@H]([NH2+]Cc2cccnc2)c2c1c(F)ccc2O ZINC000756343889 626694227 /nfs/dbraw/zinc/69/42/27/626694227.db2.gz PGRHYJOSALGUIG-GXFFZTMASA-N 1 0 272.323 3.264 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]CCc2cccnc2)c2c1c(F)ccc2O ZINC000756397590 626701450 /nfs/dbraw/zinc/70/14/50/626701450.db2.gz VULMZWKKHOKQAM-RISCZKNCSA-N 1 0 286.350 3.307 20 10 CGCDRO C[C@H]([NH2+]CCN(C)C1CCCCC1)c1ccc(F)cc1[O-] ZINC000756458741 626707156 /nfs/dbraw/zinc/70/71/56/626707156.db2.gz YARHENDXZCKFFO-ZDUSSCGKSA-N 1 0 294.414 3.446 20 10 CGCDRO CC(C)[C@](C)(O)C[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756576269 626717628 /nfs/dbraw/zinc/71/76/28/626717628.db2.gz LWNIDSUTIKXKMT-NSODJVPESA-N 1 0 281.371 3.076 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F)c1cnn(C)c1 ZINC000756605425 626719820 /nfs/dbraw/zinc/71/98/20/626719820.db2.gz IHCVKNJJFLBTJC-GIPNMCIBSA-N 1 0 289.354 3.164 20 10 CGCDRO C[C@H](O)C[C@H](C)C[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756606197 626719942 /nfs/dbraw/zinc/71/99/42/626719942.db2.gz WMLCRTVAHVDULL-SRRSOLGSSA-N 1 0 281.371 3.076 20 10 CGCDRO CC[C@H](C[C@H](C)CO)[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756624118 626721100 /nfs/dbraw/zinc/72/11/00/626721100.db2.gz DJOXGCCESFNWMP-CIQGVGRVSA-N 1 0 295.398 3.466 20 10 CGCDRO CO[C@]1(C)C[C@@H]([NH2+][C@@H](C)c2cc(F)ccc2O)C1(C)C ZINC000756629172 626721992 /nfs/dbraw/zinc/72/19/92/626721992.db2.gz ZUOUFZLIGVXMSV-DRZCJDIDSA-N 1 0 281.371 3.386 20 10 CGCDRO CC[C@H](C[C@H](C)CO)[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000756628731 626722042 /nfs/dbraw/zinc/72/20/42/626722042.db2.gz XEHPYDTURSDYPY-DMDPSCGWSA-N 1 0 285.815 3.493 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCNc2ccccc2)c1 ZINC000756642616 626723989 /nfs/dbraw/zinc/72/39/89/626723989.db2.gz OPMBYUCJUQTIBW-AWEZNQCLSA-N 1 0 270.376 3.463 20 10 CGCDRO CO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)C1(C)C ZINC000756646729 626724083 /nfs/dbraw/zinc/72/40/83/626724083.db2.gz DAKPQZUNDMTNEP-PCGAWMICSA-N 1 0 293.382 3.483 20 10 CGCDRO CCC1(O)CCC([NH2+][C@@H](C)c2cc(OC)ccc2O)CC1 ZINC000756677591 626726741 /nfs/dbraw/zinc/72/67/41/626726741.db2.gz RGCABCNLSPXQDK-POZPTJLLSA-N 1 0 293.407 3.135 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC2Cc3ccccc3C2)c1 ZINC000756714262 626727174 /nfs/dbraw/zinc/72/71/74/626727174.db2.gz YUTNSWQCWJACIV-ZDUSSCGKSA-N 1 0 297.398 3.466 20 10 CGCDRO C[C@H]1C[C@@H]([NH2+]CC2(CCO)CCC2)c2c1c(F)ccc2O ZINC000756765949 626729766 /nfs/dbraw/zinc/72/97/66/626729766.db2.gz TWQRUKNARIRJHH-WCQYABFASA-N 1 0 293.382 3.222 20 10 CGCDRO C[C@H]([NH2+][C@@H](CO)CC1CC1)c1cc2c(cc1O)CCCC2 ZINC000756770158 626730663 /nfs/dbraw/zinc/73/06/63/626730663.db2.gz UHXTYKKSZBJYRA-BLLLJJGKSA-N 1 0 289.419 3.083 20 10 CGCDRO Cc1cc(C[NH2+][C@@H](C)c2ccc3ccccc3c2O)ncn1 ZINC000756775900 626731182 /nfs/dbraw/zinc/73/11/82/626731182.db2.gz MOHJRAKNBMILHB-ZDUSSCGKSA-N 1 0 293.370 3.495 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCO[C@H](C)C2)c2c1c(F)ccc2O ZINC000756781567 626731848 /nfs/dbraw/zinc/73/18/48/626731848.db2.gz GWZDNWISASIUMI-PRULPYPASA-N 1 0 279.355 3.237 20 10 CGCDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@H](C)c2ccc(C)cc2O)C1(C)C ZINC000756792031 626733192 /nfs/dbraw/zinc/73/31/92/626733192.db2.gz WWLLLXKKLYYHKR-CZPYZCIJSA-N 1 0 277.408 3.411 20 10 CGCDRO C[C@@H]([NH2+]CCOC1CCC1)c1cc2c(cc1O)CCCC2 ZINC000756839396 626736147 /nfs/dbraw/zinc/73/61/47/626736147.db2.gz RDYOWLCSCCOMSZ-CYBMUJFWSA-N 1 0 289.419 3.491 20 10 CGCDRO Cc1cc(CC[NH2+]Cc2cocn2)c(C)n1-c1ccccc1 ZINC000758300079 626836425 /nfs/dbraw/zinc/83/64/25/626836425.db2.gz DNXVCUQCJREOSS-UHFFFAOYSA-N 1 0 295.386 3.414 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]Cc2nn(C)c3ccccc23)c(O)c1 ZINC000760895808 627000832 /nfs/dbraw/zinc/00/08/32/627000832.db2.gz BEPCZCQLNJCGAI-ZDUSSCGKSA-N 1 0 295.386 3.438 20 10 CGCDRO CC[N@H+](Cc1cc(Cl)cc(OC)c1O)C1CCC1 ZINC000761201117 627024689 /nfs/dbraw/zinc/02/46/89/627024689.db2.gz DJOWZFLDTCRQHM-UHFFFAOYSA-N 1 0 269.772 3.429 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCC(F)(F)C2)cc1C ZINC000763520768 627161732 /nfs/dbraw/zinc/16/17/32/627161732.db2.gz INQILHANHIJQFF-GFCCVEGCSA-N 1 0 255.308 3.286 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCC(F)(F)C2)cc1F ZINC000763524142 627163345 /nfs/dbraw/zinc/16/33/45/627163345.db2.gz XVOQUQVEANPQJA-NSHDSACASA-N 1 0 272.314 3.169 20 10 CGCDRO CC[C@@H]([NH2+]CCN1CCCCC1)c1ccc(N(C)C)cc1 ZINC000764810143 627225813 /nfs/dbraw/zinc/22/58/13/627225813.db2.gz NRAXDOVZRIUXGG-GOSISDBHSA-N 1 0 289.467 3.279 20 10 CGCDRO C[C@H](CC1CCC1)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000765280804 627244981 /nfs/dbraw/zinc/24/49/81/627244981.db2.gz BQYRMEVNDHAPIE-OAHLLOKOSA-N 1 0 288.435 3.192 20 10 CGCDRO CCN1CCCC[C@H]1C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000765902923 627278029 /nfs/dbraw/zinc/27/80/29/627278029.db2.gz GJPGFPMNSDXPIL-QAPCUYQASA-N 1 0 289.467 3.278 20 10 CGCDRO CCC[C@](C)(O)C[NH2+][C@@H](CC)c1ccc(N(C)C)cc1 ZINC000765939377 627279448 /nfs/dbraw/zinc/27/94/48/627279448.db2.gz ARQJRXWALUSZSC-IRXDYDNUSA-N 1 0 278.440 3.344 20 10 CGCDRO Cc1ccccc1[C@@H](CO)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000766402405 627327203 /nfs/dbraw/zinc/32/72/03/627327203.db2.gz XEXRGSIRPGHWJN-DNVCBOLYSA-N 1 0 298.430 3.445 20 10 CGCDRO COc1ccc(C[NH2+]C[C@]2(C)CCO[C@@H]2C2CC2)cc1C ZINC000767196208 627389219 /nfs/dbraw/zinc/38/92/19/627389219.db2.gz UMJOMQVKRLPGDB-MSOLQXFVSA-N 1 0 289.419 3.298 20 10 CGCDRO COCC[N@H+](Cc1cccs1)Cc1cc(C)ccc1O ZINC000768196291 627468297 /nfs/dbraw/zinc/46/82/97/627468297.db2.gz AVFONTJBRYFDDN-UHFFFAOYSA-N 1 0 291.416 3.411 20 10 CGCDRO COc1cccc(O)c1C[N@H+](C)Cc1cccc(C)c1 ZINC000768252369 627471034 /nfs/dbraw/zinc/47/10/34/627471034.db2.gz KQPRIWVTSRKZLF-UHFFFAOYSA-N 1 0 271.360 3.341 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H]2c2ccccn2)c1 ZINC000768360335 627475976 /nfs/dbraw/zinc/47/59/76/627475976.db2.gz NEMCXJVWDLOEKZ-INIZCTEOSA-N 1 0 268.360 3.433 20 10 CGCDRO COc1cc(C[N@H+](C)CC(C)(C)C)c(O)cc1C ZINC000768445331 627480334 /nfs/dbraw/zinc/48/03/34/627480334.db2.gz GEAPHIYSBZLDLS-UHFFFAOYSA-N 1 0 251.370 3.187 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)Cc1ccncc1 ZINC000768689648 627493487 /nfs/dbraw/zinc/49/34/87/627493487.db2.gz LASVALVSVBAFIM-HNNXBMFYSA-N 1 0 283.419 3.177 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CCC[C@H](C)[C@@H]2C)c(O)c1 ZINC000769224882 627531538 /nfs/dbraw/zinc/53/15/38/627531538.db2.gz ZWWDMWJITGJAEW-STQMWFEESA-N 1 0 263.381 3.411 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C[C@H](C)O)C(C)C)cc1F ZINC000769343741 627544351 /nfs/dbraw/zinc/54/43/51/627544351.db2.gz UDPUJOZEESJARM-AWEZNQCLSA-N 1 0 296.430 3.263 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](c3ccco3)C2)cc1 ZINC000769388962 627547683 /nfs/dbraw/zinc/54/76/83/627547683.db2.gz KDRRGLGRFQGYFO-HNNXBMFYSA-N 1 0 270.376 3.335 20 10 CGCDRO CC[N@@H+]1CC[C@H](N(C)Cc2c(O)cccc2Cl)C[C@@H]1C ZINC000769469668 627556495 /nfs/dbraw/zinc/55/64/95/627556495.db2.gz CMKJVZATJWRVEH-STQMWFEESA-N 1 0 296.842 3.350 20 10 CGCDRO Cc1cccc(C[N@@H+](C)Cc2cc(Cl)ccc2O)n1 ZINC000769481228 627558694 /nfs/dbraw/zinc/55/86/94/627558694.db2.gz SYOYDPLWJDNEEG-UHFFFAOYSA-N 1 0 276.767 3.381 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCSCC(F)(F)F)cc1C ZINC000769693000 627573309 /nfs/dbraw/zinc/57/33/09/627573309.db2.gz XIBVXRWTFHQGEX-UHFFFAOYSA-N 1 0 293.354 3.394 20 10 CGCDRO C[C@@H]([NH2+][C@H](CO)c1ccsc1)c1cc(Cl)ccc1O ZINC000769986019 627595055 /nfs/dbraw/zinc/59/50/55/627595055.db2.gz GIULRFJTTKKONB-NOZJJQNGSA-N 1 0 297.807 3.491 20 10 CGCDRO C[C@@H]([NH2+][C@H](CO)c1ccsc1)c1ccc(N(C)C)cc1 ZINC000769991615 627596378 /nfs/dbraw/zinc/59/63/78/627596378.db2.gz YZRQVSCTOFIPHJ-MLGOLLRUSA-N 1 0 290.432 3.198 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCOC[C@@]2(C)CC)cc1 ZINC000773829255 627917940 /nfs/dbraw/zinc/91/79/40/627917940.db2.gz ZVJFGWRPPIOKKC-QGZVFWFLSA-N 1 0 276.424 3.144 20 10 CGCDRO CCN(C)c1ccc(C[N@H+](C)[C@@]2(CO)CC[C@H](C)C2)cc1 ZINC000773861899 627920866 /nfs/dbraw/zinc/92/08/66/627920866.db2.gz ACZJIVMTBPBYDA-YJBOKZPZSA-N 1 0 290.451 3.126 20 10 CGCDRO CC[C@@H]([NH2+]Cc1nccn1C)c1cc(Cl)ccc1O ZINC000775499366 628100892 /nfs/dbraw/zinc/10/08/92/628100892.db2.gz RMGTYYCHIWUGEM-GFCCVEGCSA-N 1 0 279.771 3.020 20 10 CGCDRO CC[C@H](C[C@@H](C)CO)[NH2+][C@@H](CC)c1ccccc1O ZINC000775512392 628102567 /nfs/dbraw/zinc/10/25/67/628102567.db2.gz KGXQFBGMQVVAGB-NFAWXSAZSA-N 1 0 265.397 3.230 20 10 CGCDRO CC[C@H]([NH2+]CCN1CC[C@H](C)C1)c1cc(Cl)ccc1O ZINC000775513673 628102611 /nfs/dbraw/zinc/10/26/11/628102611.db2.gz RSKFEPDQYRCNMJ-WFASDCNBSA-N 1 0 296.842 3.428 20 10 CGCDRO CC[C@H]([NH2+]CCc1cnccn1)c1cc(Cl)ccc1O ZINC000775531944 628104322 /nfs/dbraw/zinc/10/43/22/628104322.db2.gz PUKJOZURIACQHX-AWEZNQCLSA-N 1 0 291.782 3.119 20 10 CGCDRO CC[C@H]([NH2+]C[C@H](OC)C(F)(F)F)c1ccccc1O ZINC000775538541 628104966 /nfs/dbraw/zinc/10/49/66/628104966.db2.gz WYWSJYVCWMQPGU-JQWIXIFHSA-N 1 0 277.286 3.010 20 10 CGCDRO Cc1cccc(C[NH+]2C[C@H](C)S[C@@H](C)C2)c1O ZINC000775665163 628121817 /nfs/dbraw/zinc/12/18/17/628121817.db2.gz ZNKBTTCCBSBVNK-RYUDHWBXSA-N 1 0 251.395 3.026 20 10 CGCDRO Cc1cc(Br)cc(C[N@@H+]2CCC2(C)C)c1O ZINC000775700597 628126895 /nfs/dbraw/zinc/12/68/95/628126895.db2.gz KUFPJYZGCFRAJY-UHFFFAOYSA-N 1 0 284.197 3.447 20 10 CGCDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2cccc(C)c2O)C1(C)C ZINC000775715070 628128334 /nfs/dbraw/zinc/12/83/34/628128334.db2.gz BHFBLFNGKOUKOE-CABCVRRESA-N 1 0 277.408 3.336 20 10 CGCDRO Cc1cccc(C[NH2+]CCN2CCCc3ccccc32)c1O ZINC000776089970 628164390 /nfs/dbraw/zinc/16/43/90/628164390.db2.gz YGSLLTFXCSUPOV-UHFFFAOYSA-N 1 0 296.414 3.243 20 10 CGCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)cc2C)C1(C)C ZINC000776159652 628172504 /nfs/dbraw/zinc/17/25/04/628172504.db2.gz YUOJANJHGARBIX-DLBZAZTESA-N 1 0 290.451 3.354 20 10 CGCDRO COCc1cccc(C[NH2+]Cc2ccc(N(C)C)cc2C)c1 ZINC000776173933 628176002 /nfs/dbraw/zinc/17/60/02/628176002.db2.gz DMSKINHYIYYLKY-UHFFFAOYSA-N 1 0 298.430 3.497 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCOC2CCC2)cc1 ZINC000777119415 628250165 /nfs/dbraw/zinc/25/01/65/628250165.db2.gz NRVCYMOAHKNPHL-AWEZNQCLSA-N 1 0 276.424 3.362 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H]2C2CCOCC2)cc1 ZINC000777439492 628270388 /nfs/dbraw/zinc/27/03/88/628270388.db2.gz IJUKYRFYSXYDGN-SFHVURJKSA-N 1 0 288.435 3.144 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2c(O)ccc3ccncc32)C[C@@H]1F ZINC000777965510 628317012 /nfs/dbraw/zinc/31/70/12/628317012.db2.gz WZKIOESJEZUMBD-ABAIWWIYSA-N 1 0 274.339 3.120 20 10 CGCDRO Oc1ccccc1C[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000779026988 628384082 /nfs/dbraw/zinc/38/40/82/628384082.db2.gz OCNUGCQOEFGWBN-UHFFFAOYSA-N 1 0 257.255 3.087 20 10 CGCDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cc(F)ccc2O)C12CCC2 ZINC000779034846 628384470 /nfs/dbraw/zinc/38/44/70/628384470.db2.gz VGJFSVYNZDEQIS-HZPDHXFCSA-N 1 0 293.382 3.311 20 10 CGCDRO CC(C)(C)[C@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C[C@@H]1O ZINC000779432243 628413064 /nfs/dbraw/zinc/41/30/64/628413064.db2.gz PQLMPRHVHGSJDG-ZFWWWQNUSA-N 1 0 297.826 3.275 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](C(C)(C)C)[C@@H](O)C2)cc1C ZINC000779431850 628413188 /nfs/dbraw/zinc/41/31/88/628413188.db2.gz FOQSZXSMDLCXNM-WBVHZDCISA-N 1 0 291.435 3.238 20 10 CGCDRO CCOCC[N@H+](C)Cc1ccc(N(CC)CC)c(F)c1 ZINC000779598920 628417804 /nfs/dbraw/zinc/41/78/04/628417804.db2.gz NGAINKYIZZLNRY-UHFFFAOYSA-N 1 0 282.403 3.140 20 10 CGCDRO C[C@@H]([NH2+]CCCSc1nccs1)[C@H]1CCCOC1 ZINC000780725841 628510654 /nfs/dbraw/zinc/51/06/54/628510654.db2.gz UFTWALZKTDOZGG-NEPJUHHUSA-N 1 0 286.466 3.030 20 10 CGCDRO COc1cc(C)c(C[N@H+](C)Cc2ccccc2O)c(C)n1 ZINC000781900268 628603236 /nfs/dbraw/zinc/60/32/36/628603236.db2.gz ISYNROWHQVWBAF-UHFFFAOYSA-N 1 0 286.375 3.045 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)c1 ZINC000782292105 628634647 /nfs/dbraw/zinc/63/46/47/628634647.db2.gz VBLARDCMBXTXQM-KRWDZBQOSA-N 1 0 296.414 3.469 20 10 CGCDRO COc1ccc(C[NH2+]C[C@]2(O)CCCC(C)(C)C2)cc1C ZINC000782534401 628652651 /nfs/dbraw/zinc/65/26/51/628652651.db2.gz BTCVVBFJKTYCEG-SFHVURJKSA-N 1 0 291.435 3.425 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](C)c2ccncc2OC)cc1C ZINC000782546288 628654219 /nfs/dbraw/zinc/65/42/19/628654219.db2.gz YICQSSZGXDBSGR-ZDUSSCGKSA-N 1 0 286.375 3.258 20 10 CGCDRO Cc1nccnc1[C@@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000783294262 628700339 /nfs/dbraw/zinc/70/03/39/628700339.db2.gz IWYASSDZHZDYGM-GXTWGEPZSA-N 1 0 284.407 3.263 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1CCC=CO1)c1cc(Cl)ccc1O ZINC000783310204 628702332 /nfs/dbraw/zinc/70/23/32/628702332.db2.gz LPRNMBCWXSPVMC-CMPLNLGQSA-N 1 0 267.756 3.389 20 10 CGCDRO C[C@H](C[NH2+][C@@H](C)c1ccccc1O)N1CCCC[C@@H]1C ZINC000783501523 628718846 /nfs/dbraw/zinc/71/88/46/628718846.db2.gz JDVZPCZIPGAEPU-ZNMIVQPWSA-N 1 0 276.424 3.306 20 10 CGCDRO C[C@H]([NH2+]CCN1CCc2ccccc21)c1ccccc1O ZINC000783506609 628719247 /nfs/dbraw/zinc/71/92/47/628719247.db2.gz ZNKHYDQXAGHIRM-AWEZNQCLSA-N 1 0 282.387 3.106 20 10 CGCDRO Cc1ncc2c(n1)CCC[C@H]2[NH2+][C@@H](C)c1ccccc1O ZINC000783514534 628719850 /nfs/dbraw/zinc/71/98/50/628719850.db2.gz SEFBXLOUUMBNBL-XHDPSFHLSA-N 1 0 283.375 3.219 20 10 CGCDRO C[C@H](c1ccccc1)[C@@H](CO)[NH2+][C@@H](C)c1ccccc1O ZINC000783522941 628721536 /nfs/dbraw/zinc/72/15/36/628721536.db2.gz SSSRBUZBKNAXMJ-JKIFEVAISA-N 1 0 285.387 3.207 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1cncc(F)c1)c1ccccc1O ZINC000783532960 628722730 /nfs/dbraw/zinc/72/27/30/628722730.db2.gz LGMBAWWSESHIPV-WDEREUQCSA-N 1 0 260.312 3.338 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]C12CCC(CC1)C2 ZINC000784643259 628827049 /nfs/dbraw/zinc/82/70/49/628827049.db2.gz JNFMOQVYVIZBSL-UHFFFAOYSA-N 1 0 251.757 3.468 20 10 CGCDRO Cc1cc(Cl)cc(C[N@H+]2CC[C@H](C)C[C@@H]2[C@H](C)O)c1O ZINC000785986804 628905689 /nfs/dbraw/zinc/90/56/89/628905689.db2.gz DOZNERVFTXHMDS-ITDIGPHOSA-N 1 0 297.826 3.335 20 10 CGCDRO C[C@H]([NH2+]C1CC(C)(C)C1)c1ccc(N2CCOCC2)cc1 ZINC000788578536 629065451 /nfs/dbraw/zinc/06/54/51/629065451.db2.gz BBSHQVJXOXCWCY-AWEZNQCLSA-N 1 0 288.435 3.362 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](O)c2ccsc2)c(O)c1 ZINC000788601444 629068642 /nfs/dbraw/zinc/06/86/42/629068642.db2.gz JPMNHOZEUGWFFS-IUODEOHRSA-N 1 0 291.416 3.455 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]CCOC(F)(F)F)c2c1c(F)ccc2O ZINC000788980854 629093455 /nfs/dbraw/zinc/09/34/55/629093455.db2.gz OJRBYBYDRDFHEN-APPZFPTMSA-N 1 0 293.260 3.206 20 10 CGCDRO C[N@H+](CCCCOC(C)(C)C)Cc1ccccc1O ZINC000789348716 629126538 /nfs/dbraw/zinc/12/65/38/629126538.db2.gz PTBYZXZOPJYXQE-UHFFFAOYSA-N 1 0 265.397 3.419 20 10 CGCDRO CN1CCCC(C)(C)[C@@H]1C[NH2+]Cc1cc(Cl)ccc1O ZINC000790484662 629213140 /nfs/dbraw/zinc/21/31/40/629213140.db2.gz HFCHJGVOHKFJNH-HNNXBMFYSA-N 1 0 296.842 3.256 20 10 CGCDRO CC(C)=CCC[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000790992151 629247229 /nfs/dbraw/zinc/24/72/29/629247229.db2.gz SVPBIFZNFRJBKY-UHFFFAOYSA-N 1 0 250.361 3.338 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@]2(CC)CCOC2)cc1F ZINC000791002931 629249050 /nfs/dbraw/zinc/24/90/50/629249050.db2.gz BUAKAKIOZDTYJY-KRWDZBQOSA-N 1 0 294.414 3.331 20 10 CGCDRO COCC[N@H+](Cc1cc(F)ccc1O)[C@H]1CC[C@@H](C)C1 ZINC000792193367 629348162 /nfs/dbraw/zinc/34/81/62/629348162.db2.gz UGEMSEPBASZKTI-DOMZBBRYSA-N 1 0 281.371 3.168 20 10 CGCDRO Oc1ccccc1C[N@H+](Cc1ncccn1)C1CCCC1 ZINC000792233026 629351188 /nfs/dbraw/zinc/35/11/88/629351188.db2.gz UNXVRMNNBVVVAP-UHFFFAOYSA-N 1 0 283.375 3.127 20 10 CGCDRO Cc1cccc(C[NH2+][C@@]2(CO)CCCC(C)(C)C2)c1O ZINC000862484719 629386292 /nfs/dbraw/zinc/38/62/92/629386292.db2.gz ADENLARXAHRSDR-KRWDZBQOSA-N 1 0 277.408 3.122 20 10 CGCDRO Oc1ccc2ccccc2c1C[N@@H+]1CCO[C@H](CCF)C1 ZINC000862531484 629391912 /nfs/dbraw/zinc/39/19/12/629391912.db2.gz ZMSMMFWXANGCII-CQSZACIVSA-N 1 0 289.350 3.106 20 10 CGCDRO COc1ccc(C[NH2+]C[C@H]2C(C)=CCC[C@H]2C)c(O)c1 ZINC000793387456 629452570 /nfs/dbraw/zinc/45/25/70/629452570.db2.gz FBKIBANBIWQQMY-CJNGLKHVSA-N 1 0 275.392 3.483 20 10 CGCDRO COc1ccc(C[NH2+]C/C=C\c2ccccc2OC)c(O)c1 ZINC000793386726 629452898 /nfs/dbraw/zinc/45/28/98/629452898.db2.gz YFYXOIOLJZALGH-ALCCZGGFSA-N 1 0 299.370 3.212 20 10 CGCDRO Cc1cc([C@@H](C)[NH2+]Cc2ccc(N3CCCC3)cc2)n(C)n1 ZINC000793522936 629475178 /nfs/dbraw/zinc/47/51/78/629475178.db2.gz GXTHLTVBWAEVHN-OAHLLOKOSA-N 1 0 298.434 3.180 20 10 CGCDRO CCC[N@H+](Cc1ccccc1O)[C@H](C)c1cnc(C)cn1 ZINC000794381980 629538607 /nfs/dbraw/zinc/53/86/07/629538607.db2.gz FXSIXQLOKJDJAH-CQSZACIVSA-N 1 0 285.391 3.464 20 10 CGCDRO Cc1cc(C)c(O)c(C[NH+]2CCC(F)(F)CC2)c1 ZINC000794684873 629566823 /nfs/dbraw/zinc/56/68/23/629566823.db2.gz CRVFBRBIORSVFH-UHFFFAOYSA-N 1 0 255.308 3.240 20 10 CGCDRO Oc1ccc2ccncc2c1C[NH+]1CCC(F)(F)CC1 ZINC000794687819 629567789 /nfs/dbraw/zinc/56/77/89/629567789.db2.gz ZLCJYGKETAXWGS-UHFFFAOYSA-N 1 0 278.302 3.172 20 10 CGCDRO CC[C@H](C)N(C)CC[NH2+][C@@H](CC)c1ccc(C)cc1O ZINC000794801738 629577880 /nfs/dbraw/zinc/57/78/80/629577880.db2.gz BDHRTYLFPVXCQT-HOCLYGCPSA-N 1 0 278.440 3.472 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCN(C)[C@H](C)C1)c1ccc(C)cc1O ZINC000794802839 629579064 /nfs/dbraw/zinc/57/90/64/629579064.db2.gz OYANOLJYVWUYCM-FMKPAKJESA-N 1 0 276.424 3.224 20 10 CGCDRO CC[C@@H]([NH2+]CCc1ccc(CO)cc1)c1ccc(C)cc1O ZINC000794819230 629582452 /nfs/dbraw/zinc/58/24/52/629582452.db2.gz YRNWOQKGJVQYJN-GOSISDBHSA-N 1 0 299.414 3.476 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H](CO)CC2CCC2)cc1 ZINC000794832896 629584342 /nfs/dbraw/zinc/58/43/42/629584342.db2.gz IEZCHFZOGQOZIV-YOEHRIQHSA-N 1 0 290.451 3.344 20 10 CGCDRO COc1ccc(CNc2cc(C)[nH+]c3ccccc23)c(O)c1 ZINC000795284983 629657219 /nfs/dbraw/zinc/65/72/19/629657219.db2.gz OXVPKLVPAPDIBN-UHFFFAOYSA-N 1 0 294.354 3.291 20 10 CGCDRO Oc1ccccc1C[NH2+]C/C=C\c1ccc(F)c(F)c1 ZINC000796283951 629761352 /nfs/dbraw/zinc/76/13/52/629761352.db2.gz NBLYJYKMLGXJNF-ARJAWSKDSA-N 1 0 275.298 3.473 20 10 CGCDRO CC[C@@H]1C[N@H+](Cc2cc(C)cc(C)c2O)CCCO1 ZINC000799161752 630151016 /nfs/dbraw/zinc/15/10/16/630151016.db2.gz CYOGNDQFJTVTFA-OAHLLOKOSA-N 1 0 263.381 3.010 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC=C(Br)C2)c1 ZINC000799573808 630200183 /nfs/dbraw/zinc/20/01/83/630200183.db2.gz DSBOXQSWBZNYAG-UHFFFAOYSA-N 1 0 296.208 3.494 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]CCc1ccc2[nH]ccc2c1 ZINC000799738977 630229326 /nfs/dbraw/zinc/22/93/26/630229326.db2.gz FNKCJDMHBGKWBO-UHFFFAOYSA-N 1 0 284.334 3.345 20 10 CGCDRO COCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1C ZINC000800478492 630284144 /nfs/dbraw/zinc/28/41/44/630284144.db2.gz IZVILUSTZMNCDI-QAPCUYQASA-N 1 0 290.451 3.356 20 10 CGCDRO COc1cccc(O)c1C[NH2+]CC(C)(C)C(F)(F)F ZINC000800889492 630309370 /nfs/dbraw/zinc/30/93/70/630309370.db2.gz XVUBGLYPYKJJNY-UHFFFAOYSA-N 1 0 277.286 3.079 20 10 CGCDRO CCCC[N@@H+](Cc1ccccc1O)C[C@@H]1CCOC1 ZINC000801596005 630346351 /nfs/dbraw/zinc/34/63/51/630346351.db2.gz YUEFWKIAUZLYBV-AWEZNQCLSA-N 1 0 263.381 3.031 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H]2C2CCC2)c(O)c1 ZINC000802651701 630402479 /nfs/dbraw/zinc/40/24/79/630402479.db2.gz XXNQYMFXUSUQNM-HUUCEWRRSA-N 1 0 261.365 3.069 20 10 CGCDRO CC(C)(C[NH2+]Cc1cc(F)ccc1O)C(F)(F)F ZINC000802653550 630403029 /nfs/dbraw/zinc/40/30/29/630403029.db2.gz XKYDJZXWGCQPHS-UHFFFAOYSA-N 1 0 265.250 3.209 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+][C@H]1CCc2ccccc2OC1 ZINC000802653996 630403334 /nfs/dbraw/zinc/40/33/34/630403334.db2.gz BWSYZSVLZHCLRT-HNNXBMFYSA-N 1 0 287.334 3.015 20 10 CGCDRO CC[C@@H]1CC[C@H]1[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000806134062 630546352 /nfs/dbraw/zinc/54/63/52/630546352.db2.gz UQEROTZZBJTLFW-IIDMSEBBSA-N 1 0 288.435 3.362 20 10 CGCDRO CC(C)[C@@H]1C[N@H+](Cc2cc3c(cc2O)CCC3)CCCO1 ZINC000840096913 630592104 /nfs/dbraw/zinc/59/21/04/630592104.db2.gz VGLGJMKGPKWDEG-SFHVURJKSA-N 1 0 289.419 3.128 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](CO)CC(C)C)c1O ZINC000808680019 630663793 /nfs/dbraw/zinc/66/37/93/630663793.db2.gz GXJZKJKPZKZXIZ-DGCLKSJQSA-N 1 0 285.815 3.412 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CCN(C3CC3)C2)c1O ZINC000808691328 630665180 /nfs/dbraw/zinc/66/51/80/630665180.db2.gz JAXUUMOUUJDLHP-YPMHNXCESA-N 1 0 294.826 3.241 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](O)C(C)C)c1O ZINC000808695412 630665571 /nfs/dbraw/zinc/66/55/71/630665571.db2.gz HFPJDKBXAHQKKE-ZWNOBZJWSA-N 1 0 271.788 3.022 20 10 CGCDRO CCn1cc(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)cn1 ZINC000808707155 630667736 /nfs/dbraw/zinc/66/77/36/630667736.db2.gz FPBXIZJSGGPDGC-LLVKDONJSA-N 1 0 293.798 3.421 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2C[C@H](O)C2(C)C)c1O ZINC000808712711 630669315 /nfs/dbraw/zinc/66/93/15/630669315.db2.gz ANLLPDLULGMYJM-BIMULSAOSA-N 1 0 283.799 3.164 20 10 CGCDRO CCCCN(C)C[C@H](C)[NH2+][C@H](C)c1cc(C)ccc1O ZINC000808732064 630673136 /nfs/dbraw/zinc/67/31/36/630673136.db2.gz HDOJFQIRHFMWJP-LSDHHAIUSA-N 1 0 278.440 3.472 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CC(C)(C)C[C@H]2C)cc1OC ZINC000840181633 630754240 /nfs/dbraw/zinc/75/42/40/630754240.db2.gz SYAFQBOWJJDIMO-LLVKDONJSA-N 1 0 279.380 3.030 20 10 CGCDRO CC(C)C[C@H](C)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000809607742 630759579 /nfs/dbraw/zinc/75/95/79/630759579.db2.gz AAGASLLHGNTZRI-INIZCTEOSA-N 1 0 290.451 3.295 20 10 CGCDRO Cc1cccc(C[NH+]2CCC(c3cccnc3)CC2)c1O ZINC000809737777 630794929 /nfs/dbraw/zinc/79/49/29/630794929.db2.gz KPVDFQNVCFOTHN-UHFFFAOYSA-N 1 0 282.387 3.475 20 10 CGCDRO COc1cccc(C[NH2+]Cc2cc(F)cc(Cl)c2)c1O ZINC000809740317 630796168 /nfs/dbraw/zinc/79/61/68/630796168.db2.gz UCZOIHVMDHFAGL-UHFFFAOYSA-N 1 0 295.741 3.483 20 10 CGCDRO COc1cccc(C[NH2+][C@@H](C)CCC(F)(F)F)c1O ZINC000809739743 630796738 /nfs/dbraw/zinc/79/67/38/630796738.db2.gz CIUHAYAKJLVLGS-VIFPVBQESA-N 1 0 277.286 3.221 20 10 CGCDRO CCCCN(C)C[C@@H](C)[NH2+][C@H](C)c1cc(C)ccc1O ZINC000810244635 630859107 /nfs/dbraw/zinc/85/91/07/630859107.db2.gz HDOJFQIRHFMWJP-HUUCEWRRSA-N 1 0 278.440 3.472 20 10 CGCDRO CC[C@H](C[NH2+][C@H](C)c1cc2c(cc1O)CCCC2)OC ZINC000810260345 630861253 /nfs/dbraw/zinc/86/12/53/630861253.db2.gz JGOKIBIRCVWWTD-IUODEOHRSA-N 1 0 277.408 3.347 20 10 CGCDRO CC[C@H]([NH2+][C@H](CO)C1CCCC1)c1ccc(N(C)C)cc1 ZINC000810259566 630861347 /nfs/dbraw/zinc/86/13/47/630861347.db2.gz LXDNAMJNCIFTNX-ZWKOTPCHSA-N 1 0 290.451 3.344 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(CO)cc1)c1ccc(N(C)C)cc1 ZINC000842893810 635505987 /nfs/dbraw/zinc/50/59/87/635505987.db2.gz CYOSTEUMWPDTJO-IBGZPJMESA-N 1 0 298.430 3.486 20 10 CGCDRO C[N@@H+](Cc1ccccc1O)CC1Cc2ccccc2C1 ZINC000811458471 631068146 /nfs/dbraw/zinc/06/81/46/631068146.db2.gz XWFKJXMTBJQGGS-UHFFFAOYSA-N 1 0 267.372 3.239 20 10 CGCDRO CC[N@@H+](Cc1cc2c(cc1O)CCCC2)C[C@H](C)OC ZINC000812300979 631235887 /nfs/dbraw/zinc/23/58/87/631235887.db2.gz AMXWLSGBIFNGBG-ZDUSSCGKSA-N 1 0 277.408 3.128 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]CCCCF)c2c1c(F)ccc2O ZINC000812736573 631299707 /nfs/dbraw/zinc/29/97/07/631299707.db2.gz NQWHVDACXOTSLZ-KOLCDFICSA-N 1 0 255.308 3.419 20 10 CGCDRO Cc1cc(C[N@@H+](C)CCCOC(C)C)ccc1N(C)C ZINC000815052332 631707546 /nfs/dbraw/zinc/70/75/46/631707546.db2.gz LNCKOKKEDWBLKO-UHFFFAOYSA-N 1 0 278.440 3.308 20 10 CGCDRO Cc1cc(C[N@@H+]2C[C@@H](C)S[C@@H](C)C2)ccc1N(C)C ZINC000815054423 631707610 /nfs/dbraw/zinc/70/76/10/631707610.db2.gz KUAIOFQFDWHYFS-OKILXGFUSA-N 1 0 278.465 3.387 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCCO[C@H](C(C)C)C2)cc1 ZINC000815313986 631756723 /nfs/dbraw/zinc/75/67/23/631756723.db2.gz BPADRTAPWSRRMB-SFHVURJKSA-N 1 0 290.451 3.390 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CC[C@@H]2CCOC2)c(O)c1 ZINC000815615634 631805442 /nfs/dbraw/zinc/80/54/42/631805442.db2.gz TVPSUOBQPNQGME-ZIAGYGMSSA-N 1 0 263.381 3.086 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)c1cc2c(cc1O)CCCC2)C(C)(C)O ZINC000815652285 631813866 /nfs/dbraw/zinc/81/38/66/631813866.db2.gz WJXSGNUKIXDRMD-PXAZEXFGSA-N 1 0 291.435 3.471 20 10 CGCDRO CCCN1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC000816480784 631987227 /nfs/dbraw/zinc/98/72/27/631987227.db2.gz WYRMJDAIUZWCMT-UHFFFAOYSA-N 1 0 284.403 3.073 20 10 CGCDRO CC[C@H]1CO[C@@H](C)CN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816481217 631987715 /nfs/dbraw/zinc/98/77/15/631987715.db2.gz MWHVMLUXRTYHIG-ONGXEEELSA-N 1 0 287.762 3.184 20 10 CGCDRO CC[NH+](CC)[C@H]1CCN(Cc2ccc3ccccc3c2O)C1 ZINC000816484020 631989696 /nfs/dbraw/zinc/98/96/96/631989696.db2.gz NFMFEVYJSIVDKY-KRWDZBQOSA-N 1 0 298.430 3.462 20 10 CGCDRO Oc1c(CN2CC[NH+](CC3CC3)CC2)ccc2ccccc21 ZINC000816491696 631991949 /nfs/dbraw/zinc/99/19/49/631991949.db2.gz VVNAXHLNPPHPBJ-UHFFFAOYSA-N 1 0 296.414 3.073 20 10 CGCDRO Oc1c(C[N@@H+]2CC[C@@H](N3CCCC3)C2)ccc2ccccc21 ZINC000816499164 631993615 /nfs/dbraw/zinc/99/36/15/631993615.db2.gz HKFCXQGHHUWGNZ-QGZVFWFLSA-N 1 0 296.414 3.216 20 10 CGCDRO Oc1c(C[NH2+]CCCOCC2CC2)ccc2ccccc21 ZINC000816530827 632004828 /nfs/dbraw/zinc/00/48/28/632004828.db2.gz WSHBYJLKQFMDDJ-UHFFFAOYSA-N 1 0 285.387 3.452 20 10 CGCDRO CO[C@@H]1C[C@H]([NH2+]Cc2ccc3ccccc3c2O)C1(C)C ZINC000816554705 632009848 /nfs/dbraw/zinc/00/98/48/632009848.db2.gz HCODNJWVWBFXTD-JKSUJKDBSA-N 1 0 285.387 3.449 20 10 CGCDRO C[C@@H]1C[C@H](C[NH2+]Cc2ccc3ccccc3c2O)CCO1 ZINC000816560742 632013767 /nfs/dbraw/zinc/01/37/67/632013767.db2.gz YSLOARXUCXOGRI-ZIAGYGMSSA-N 1 0 285.387 3.450 20 10 CGCDRO OCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc2ccccc2c1O ZINC000816575711 632015843 /nfs/dbraw/zinc/01/58/43/632015843.db2.gz WLPSXUMTYZUQCB-YOEHRIQHSA-N 1 0 285.387 3.186 20 10 CGCDRO Cc1cc(Br)cc(C[N@H+]2C[C@H](C)[C@H]2C)c1O ZINC000816649144 632038173 /nfs/dbraw/zinc/03/81/73/632038173.db2.gz UXEJVHGBRYHYJZ-VHSXEESVSA-N 1 0 284.197 3.303 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]C[C@H]1CC12CCSCC2 ZINC000817409379 632140793 /nfs/dbraw/zinc/14/07/93/632140793.db2.gz AWUQLNMHABNZFA-GFCCVEGCSA-N 1 0 281.396 3.154 20 10 CGCDRO Nc1ccc(CC[NH2+][C@H]2CCCc3ccccc32)cc1 ZINC000817955783 632251188 /nfs/dbraw/zinc/25/11/88/632251188.db2.gz HRWUOGNBUURJPM-SFHVURJKSA-N 1 0 266.388 3.479 20 10 CGCDRO C[C@H](CSC(C)(C)C)[NH2+]CCc1ccc(N)cc1 ZINC000817956226 632251391 /nfs/dbraw/zinc/25/13/91/632251391.db2.gz UKBAELYWJBEZIW-GFCCVEGCSA-N 1 0 266.454 3.321 20 10 CGCDRO Nc1ccc(CC[NH2+][C@H]2CCCNc3ccccc32)cc1 ZINC000817957791 632252139 /nfs/dbraw/zinc/25/21/39/632252139.db2.gz PCFHNBQALHNWCE-SFHVURJKSA-N 1 0 281.403 3.348 20 10 CGCDRO CCCC[C@@H](CN)[NH2+][C@@H](C)c1ccc(N(C)CC)cc1 ZINC000817962831 632258535 /nfs/dbraw/zinc/25/85/35/632258535.db2.gz LJGMYAHEBUVQOO-HOCLYGCPSA-N 1 0 277.456 3.311 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1cccc(C(F)(F)F)c1[O-] ZINC000817977447 632268991 /nfs/dbraw/zinc/26/89/91/632268991.db2.gz KLKSMDQDOMKAHJ-VHSXEESVSA-N 1 0 290.329 3.189 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000818230781 632300085 /nfs/dbraw/zinc/30/00/85/632300085.db2.gz SKYDTOUFGRKRAX-QWHCGFSZSA-N 1 0 251.757 3.324 20 10 CGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)C(C)C)C2)cc1 ZINC000818344733 632310794 /nfs/dbraw/zinc/31/07/94/632310794.db2.gz QDPDRPBRJUNUFM-LSDHHAIUSA-N 1 0 276.424 3.156 20 10 CGCDRO c1cc(C[NH2+]C2([C@@H]3CCCCO3)CCC2)cc2c1OCC2 ZINC000865857769 632921855 /nfs/dbraw/zinc/92/18/55/632921855.db2.gz UIDJBORRLIFYNX-KRWDZBQOSA-N 1 0 287.403 3.203 20 10 CGCDRO CC[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCCN3C)CCO1 ZINC000823730008 633145927 /nfs/dbraw/zinc/14/59/27/633145927.db2.gz QAKZHTUMHKDCMX-SJORKVTESA-N 1 0 288.435 3.116 20 10 CGCDRO CC[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCCN3C)CCO1 ZINC000823730006 633146220 /nfs/dbraw/zinc/14/62/20/633146220.db2.gz QAKZHTUMHKDCMX-IAGOWNOFSA-N 1 0 288.435 3.116 20 10 CGCDRO CC[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCCN3C)CCO1 ZINC000823730007 633146386 /nfs/dbraw/zinc/14/63/86/633146386.db2.gz QAKZHTUMHKDCMX-IRXDYDNUSA-N 1 0 288.435 3.116 20 10 CGCDRO CC[C@@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)CCO1 ZINC000823752585 633148863 /nfs/dbraw/zinc/14/88/63/633148863.db2.gz IJXRMFZNQGJEQU-HUUCEWRRSA-N 1 0 263.381 3.051 20 10 CGCDRO Oc1ccccc1C[NH2+]Cc1ccc2c(c1)OCCCCO2 ZINC000823753438 633149056 /nfs/dbraw/zinc/14/90/56/633149056.db2.gz WEPMODBTIGHMCN-UHFFFAOYSA-N 1 0 299.370 3.233 20 10 CGCDRO CC[C@@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)cc2C)CCO1 ZINC000823851709 633158595 /nfs/dbraw/zinc/15/85/95/633158595.db2.gz XBRRLWXLHNQYFY-NVXWUHKLSA-N 1 0 276.424 3.108 20 10 CGCDRO COC(C)(C)CC[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000866504799 633164272 /nfs/dbraw/zinc/16/42/72/633164272.db2.gz ODWADPGASOPESH-CYBMUJFWSA-N 1 0 265.397 3.475 20 10 CGCDRO COC(C)(C)CC[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000866505202 633164368 /nfs/dbraw/zinc/16/43/68/633164368.db2.gz VETYZPNKBKJJJB-CMPLNLGQSA-N 1 0 281.371 3.484 20 10 CGCDRO C[C@H]([NH2+]CC[C@H](O)C1CCCC1)c1ccc(F)cc1[O-] ZINC000866637819 633226169 /nfs/dbraw/zinc/22/61/69/633226169.db2.gz LPIAYFYWACJPBY-NHYWBVRUSA-N 1 0 281.371 3.123 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC[C@H](O)C2CCCC2)c1 ZINC000866638622 633226930 /nfs/dbraw/zinc/22/69/30/633226930.db2.gz RXRCTQHNBRWVSQ-CJNGLKHVSA-N 1 0 277.408 3.292 20 10 CGCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@@H](C)CO)cc1 ZINC000121228227 633241498 /nfs/dbraw/zinc/24/14/98/633241498.db2.gz GBYSEELQHSXMDV-INIZCTEOSA-N 1 0 298.430 3.184 20 10 CGCDRO CCN1CCC([N@H+](C)Cc2cc(Cl)c(C)cc2O)CC1 ZINC000824549195 633258158 /nfs/dbraw/zinc/25/81/58/633258158.db2.gz YWCXONFCOORTFI-UHFFFAOYSA-N 1 0 296.842 3.270 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)CC(C)(C)O)cc1F ZINC000824695733 633273920 /nfs/dbraw/zinc/27/39/20/633273920.db2.gz BMXHTIQFGLYIEQ-ZDUSSCGKSA-N 1 0 296.430 3.311 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CC(O)(CC)CC)cc1 ZINC000121899370 633275228 /nfs/dbraw/zinc/27/52/28/633275228.db2.gz LDXAMZSREWDGTD-CQSZACIVSA-N 1 0 278.440 3.344 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]C[C@H]2CCOC3(CCC3)C2)c1 ZINC000824751415 633283311 /nfs/dbraw/zinc/28/33/11/633283311.db2.gz WADZOWPABRRUMI-AWEZNQCLSA-N 1 0 275.392 3.140 20 10 CGCDRO CO[C@](C)(C[NH2+]Cc1ccc2c(c1)CCO2)c1ccccc1 ZINC000824780527 633287366 /nfs/dbraw/zinc/28/73/66/633287366.db2.gz RSSHYHQIKYAMNZ-LJQANCHMSA-N 1 0 297.398 3.273 20 10 CGCDRO CC(C)[C@@H](CO)[C@H]([NH2+]Cc1ccc(N(C)C)cc1)C(C)C ZINC000824846440 633300573 /nfs/dbraw/zinc/30/05/73/633300573.db2.gz SCUWWWODVILDHE-QZTJIDSGSA-N 1 0 292.467 3.131 20 10 CGCDRO CCOC[C@@H]1CC[N@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000824906317 633304121 /nfs/dbraw/zinc/30/41/21/633304121.db2.gz NKCYOUZHUKFRJY-GFCCVEGCSA-N 1 0 283.799 3.212 20 10 CGCDRO CCOc1cccc(C[N@@H+]2C[C@@H](C3CC3)[C@@H]2C2CC2)c1O ZINC000824941449 633308591 /nfs/dbraw/zinc/30/85/91/633308591.db2.gz NQUFTNHGAWBSJT-RDJZCZTQSA-N 1 0 287.403 3.411 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000824942086 633309212 /nfs/dbraw/zinc/30/92/12/633309212.db2.gz VYOZGIBFWYDXSF-CXAGYDPISA-N 1 0 273.376 3.021 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1C[C@H](C)n2ccnc21)c1ccccc1O ZINC000825016354 633317481 /nfs/dbraw/zinc/31/74/81/633317481.db2.gz BPXOVINWSMWQAO-FPMFFAJLSA-N 1 0 271.364 3.335 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000825133680 633331604 /nfs/dbraw/zinc/33/16/04/633331604.db2.gz KHCFKMFQGWSBOA-HNNXBMFYSA-N 1 0 281.783 3.048 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@H](C)C2CCCC2)c1 ZINC000825183869 633334398 /nfs/dbraw/zinc/33/43/98/633334398.db2.gz RKPLZMRVASWDTI-GFCCVEGCSA-N 1 0 263.381 3.459 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+]CC(C)(C)C(C)(C)O)c1O ZINC000825201259 633336032 /nfs/dbraw/zinc/33/60/32/633336032.db2.gz JEFWVISNDBYZGJ-UHFFFAOYSA-N 1 0 285.815 3.241 20 10 CGCDRO CC[C@@H](C[C@@H](C)CO)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825316579 633344418 /nfs/dbraw/zinc/34/44/18/633344418.db2.gz XFNSESVHHYLRGA-MFKMUULPSA-N 1 0 285.815 3.241 20 10 CGCDRO CC1(C)CCC[N@@H+]1CCNCc1c(O)cccc1Cl ZINC000825327703 633346553 /nfs/dbraw/zinc/34/65/53/633346553.db2.gz UJBKNFCUKWRTDQ-UHFFFAOYSA-N 1 0 282.815 3.010 20 10 CGCDRO CC[C@H]([NH2+]Cc1cc(Cl)c(C)cc1O)[C@H]1CCCO1 ZINC000825390193 633351884 /nfs/dbraw/zinc/35/18/84/633351884.db2.gz CHZHTAZLFBQMEL-DZGCQCFKSA-N 1 0 283.799 3.401 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCCOCC2)cc1Cl ZINC000825405505 633353079 /nfs/dbraw/zinc/35/30/79/633353079.db2.gz HUFHSSRKEGCLOY-GFCCVEGCSA-N 1 0 269.772 3.013 20 10 CGCDRO CC[C@@H]1C[N@H+](Cc2cc(Cl)c(C)cc2O)CCCO1 ZINC000825768437 633381383 /nfs/dbraw/zinc/38/13/83/633381383.db2.gz MGDIAAYQOUVQEG-CYBMUJFWSA-N 1 0 283.799 3.355 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H](C2CC2)C(C)(C)CO)cc1Cl ZINC000825948963 633391666 /nfs/dbraw/zinc/39/16/66/633391666.db2.gz NJNAAZOSXKFMQC-OAHLLOKOSA-N 1 0 297.826 3.241 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCC[C@H](C)O2)cc1Cl ZINC000827252044 633475326 /nfs/dbraw/zinc/47/53/26/633475326.db2.gz URKULTGOJJRORC-WCQYABFASA-N 1 0 283.799 3.401 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)c1 ZINC000827377476 633486492 /nfs/dbraw/zinc/48/64/92/633486492.db2.gz ZCUYHKJFTINDGH-CRAIPNDOSA-N 1 0 289.419 3.482 20 10 CGCDRO CN(c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000827544923 633497463 /nfs/dbraw/zinc/49/74/63/633497463.db2.gz NYMXQNJCMHYRKJ-QGZVFWFLSA-N 1 0 282.387 3.103 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@H](C)C2CCC(F)CC2)c1 ZINC000827537820 633497652 /nfs/dbraw/zinc/49/76/52/633497652.db2.gz IKESZIXOIYXPDH-LKSINWNRSA-N 1 0 281.371 3.407 20 10 CGCDRO CO[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000123098047 633573627 /nfs/dbraw/zinc/57/36/27/633573627.db2.gz CXJHTTIZPMBAMO-JQFCIGGWSA-N 1 0 276.424 3.361 20 10 CGCDRO CC(=O)c1cc(F)cc(C[NH+]2[C@H](C)CC[C@H]2C)c1O ZINC000123408214 633671987 /nfs/dbraw/zinc/67/19/87/633671987.db2.gz HUTDJKOSUKUDFZ-NXEZZACHSA-N 1 0 265.328 3.107 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]CCC2(CO)CCC2)c2c1c(F)ccc2O ZINC000846210089 636159218 /nfs/dbraw/zinc/15/92/18/636159218.db2.gz JUUGTAZUXCQRJL-YPMHNXCESA-N 1 0 293.382 3.222 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1C[C@H](O)C1)c1ccc(N2CCCCC2)cc1 ZINC000872126310 634047504 /nfs/dbraw/zinc/04/75/04/634047504.db2.gz KLLKNHQTYQSBMN-IIDMSEBBSA-N 1 0 288.435 3.098 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2COC)cc1 ZINC000832620668 634075365 /nfs/dbraw/zinc/07/53/65/634075365.db2.gz KUOYZKDGVORIFF-QGZVFWFLSA-N 1 0 276.424 3.144 20 10 CGCDRO CC[C@@H]1CCCCN1CC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834585103 634190547 /nfs/dbraw/zinc/19/05/47/634190547.db2.gz GAARFGVWNVSWNO-CVEARBPZSA-N 1 0 288.435 3.234 20 10 CGCDRO CC(C)c1cc(C[NH2+][C@@H]2CCc3cccc(O)c32)on1 ZINC000834585865 634191055 /nfs/dbraw/zinc/19/10/55/634191055.db2.gz VHPPKLYDDREZDB-CYBMUJFWSA-N 1 0 272.348 3.281 20 10 CGCDRO CCn1ccnc1[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000834589428 634192852 /nfs/dbraw/zinc/19/28/52/634192852.db2.gz JYTUDBNGCSMVSM-AWEZNQCLSA-N 1 0 286.423 3.128 20 10 CGCDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834602592 634196124 /nfs/dbraw/zinc/19/61/24/634196124.db2.gz SWRHXZSWQQPBKN-CQSZACIVSA-N 1 0 298.342 3.120 20 10 CGCDRO CC(C)(C)OC(=O)CCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834611494 634196677 /nfs/dbraw/zinc/19/66/77/634196677.db2.gz LPBGPEUPWCIVMC-ZDUSSCGKSA-N 1 0 291.391 3.091 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]CCc1cccc(F)c1F)CC2 ZINC000834646118 634207503 /nfs/dbraw/zinc/20/75/03/634207503.db2.gz YGOSQFOKNRYJTE-CQSZACIVSA-N 1 0 289.325 3.490 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@H]2CCCOC2)cc1C ZINC000873046511 634237046 /nfs/dbraw/zinc/23/70/46/634237046.db2.gz MPCFWYGMHRHZHZ-HNNXBMFYSA-N 1 0 263.381 3.052 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]CC1(C(F)(F)F)CC1)CC2 ZINC000834798691 634243300 /nfs/dbraw/zinc/24/33/00/634243300.db2.gz NTFCGXFXLACZCU-JTQLQIEISA-N 1 0 271.282 3.312 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+][C@H]1COc3ccc(F)cc3C1)CC2 ZINC000834803759 634244411 /nfs/dbraw/zinc/24/44/11/634244411.db2.gz XYDZUSMWQCUWQR-HUUCEWRRSA-N 1 0 299.345 3.112 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCn2ccnc21)c1ccc(C)cc1O ZINC000834830600 634250290 /nfs/dbraw/zinc/25/02/90/634250290.db2.gz FPAHIVSKFIPFIJ-KBPBESRZSA-N 1 0 271.364 3.083 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@@H]2CO[C@@H](C)C2)cc1C ZINC000873133981 634253887 /nfs/dbraw/zinc/25/38/87/634253887.db2.gz LZXGWWMNYQBZOD-ZFWWWQNUSA-N 1 0 263.381 3.051 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@@H](C)C2(CO)CC2)cc1C ZINC000873136088 634255073 /nfs/dbraw/zinc/25/50/73/634255073.db2.gz TYTDZXAHXNNTLO-AWEZNQCLSA-N 1 0 277.408 3.034 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000873155890 634263960 /nfs/dbraw/zinc/26/39/60/634263960.db2.gz HYWGYXGAYZLECB-ZETOZRRWSA-N 1 0 281.783 3.093 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1ccc(C)cc1O ZINC000834895410 634271991 /nfs/dbraw/zinc/27/19/91/634271991.db2.gz BKKUKZQPHVMVCW-BMFZPTHFSA-N 1 0 277.408 3.292 20 10 CGCDRO CCc1ncc(C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)o1 ZINC000834899596 634277015 /nfs/dbraw/zinc/27/70/15/634277015.db2.gz LBIHPIJYXQKATN-LBPRGKRZSA-N 1 0 274.364 3.410 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2COCC2(C)C)c(O)c1C ZINC000834904114 634280842 /nfs/dbraw/zinc/28/08/42/634280842.db2.gz NJCRJGLSDPTREH-GXTWGEPZSA-N 1 0 263.381 3.085 20 10 CGCDRO CC[C@H]([NH2+]Cc1ncccc1OC)c1ccc(N(C)C)cc1 ZINC000834904988 634281422 /nfs/dbraw/zinc/28/14/22/634281422.db2.gz DNBRQRRXCXDXAT-INIZCTEOSA-N 1 0 299.418 3.397 20 10 CGCDRO CC(C)(C[NH2+][C@@H]1CCc2cccc(O)c21)C1(O)CCCC1 ZINC000834905762 634282505 /nfs/dbraw/zinc/28/25/05/634282505.db2.gz KUGCNPRCANBBNY-CQSZACIVSA-N 1 0 289.419 3.300 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1CCOC(C)(C)C1)c1ccccc1O ZINC000834913205 634285479 /nfs/dbraw/zinc/28/54/79/634285479.db2.gz ZTODZMZFFYDPNZ-CHWSQXEVSA-N 1 0 263.381 3.248 20 10 CGCDRO c1cc(N2CCCCC2)ccc1CN[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000873230138 634293062 /nfs/dbraw/zinc/29/30/62/634293062.db2.gz MPQWTEBTMUVEQI-RBUKOAKNSA-N 1 0 299.462 3.051 20 10 CGCDRO COC(C)(C)C[N@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835028897 634326197 /nfs/dbraw/zinc/32/61/97/634326197.db2.gz LYPBJYAVVMDCQH-BQYQJAHWSA-N 1 0 276.424 3.123 20 10 CGCDRO CN(C)c1ccc(/C=C\C[N@H+](C)C[C@H]2CCCOC2)cc1 ZINC000835029686 634326354 /nfs/dbraw/zinc/32/63/54/634326354.db2.gz YUGKYUSQLJCBLW-XQDHMALISA-N 1 0 288.435 3.124 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+]CCCCn2ccnc2)cc1 ZINC000835034459 634326737 /nfs/dbraw/zinc/32/67/37/634326737.db2.gz AGRINHSIJXULRE-WAYWQWQTSA-N 1 0 298.434 3.032 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H](CO)c2ccccc2)cc1 ZINC000835039119 634328806 /nfs/dbraw/zinc/32/88/06/634328806.db2.gz GLOSDIWXSNLUON-GHOSXJJBSA-N 1 0 296.414 3.089 20 10 CGCDRO C[C@@H](Cc1ccncc1)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835043363 634330472 /nfs/dbraw/zinc/33/04/72/634330472.db2.gz PWAIOIOTRQLAPR-APHBUQMISA-N 1 0 295.430 3.382 20 10 CGCDRO COCCC(C)(C)C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835048402 634334184 /nfs/dbraw/zinc/33/41/84/634334184.db2.gz RCQGNJHSTBWAAE-SREVYHEPSA-N 1 0 290.451 3.418 20 10 CGCDRO CO[C@]1(C)CCC[N@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835054519 634338460 /nfs/dbraw/zinc/33/84/60/634338460.db2.gz QRQMNCCZRHVFLF-SUQGKYDKSA-N 1 0 288.435 3.267 20 10 CGCDRO Cc1cccnc1CC[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835055704 634338920 /nfs/dbraw/zinc/33/89/20/634338920.db2.gz XXPPBUWIODCPKJ-FNORWQNLSA-N 1 0 295.430 3.302 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH+]2CC(C3CC3)C2)cc1 ZINC000835056257 634340971 /nfs/dbraw/zinc/34/09/71/634340971.db2.gz SFHGYAYDALKCHF-ARJAWSKDSA-N 1 0 256.393 3.108 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]CCC2CC(F)(F)C2)c1 ZINC000835059530 634342125 /nfs/dbraw/zinc/34/21/25/634342125.db2.gz BOYVTVCZLAWAFD-UHFFFAOYSA-N 1 0 285.334 3.316 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCc3ccccc3C2)c1O ZINC000124494243 634345599 /nfs/dbraw/zinc/34/55/99/634345599.db2.gz FDLWLMJVJSMMKK-UHFFFAOYSA-N 1 0 253.345 3.259 20 10 CGCDRO Cc1cccc(O)c1C[NH+]1CCC(c2ccccn2)CC1 ZINC000876636324 634872355 /nfs/dbraw/zinc/87/23/55/634872355.db2.gz GGINFWZVMQIQSW-UHFFFAOYSA-N 1 0 282.387 3.475 20 10 CGCDRO CCCO[C@H]1CCC[N@H+](Cc2ccc(C)cc2O)CC1 ZINC000876720469 634884960 /nfs/dbraw/zinc/88/49/60/634884960.db2.gz IVPWSJNPODGBFR-INIZCTEOSA-N 1 0 277.408 3.482 20 10 CGCDRO COCc1ccc(C[NH2+]Cc2ccc(C)cc2O)cc1 ZINC000876909642 634927504 /nfs/dbraw/zinc/92/75/04/634927504.db2.gz DJLOYEZFHIRAPA-UHFFFAOYSA-N 1 0 271.360 3.137 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000876928978 634929671 /nfs/dbraw/zinc/92/96/71/634929671.db2.gz FAMJMNYHJJIISF-MRXNPFEDSA-N 1 0 296.414 3.317 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000876988728 634945593 /nfs/dbraw/zinc/94/55/93/634945593.db2.gz LBFWOTJRSQLROZ-UHFFFAOYSA-N 1 0 288.366 3.196 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(C)cc1O)c1ccncc1 ZINC000877058551 634966711 /nfs/dbraw/zinc/96/67/11/634966711.db2.gz JSAZQYQCQNOOHW-HNNXBMFYSA-N 1 0 256.349 3.337 20 10 CGCDRO COc1ccc2c(c1)OCC[C@H]2[NH2+]Cc1c(C)cccc1O ZINC000877063278 634968513 /nfs/dbraw/zinc/96/85/13/634968513.db2.gz CFJYLVZWWILZPW-MRXNPFEDSA-N 1 0 299.370 3.323 20 10 CGCDRO Cc1ccc(C[NH2+]CC(C)(C)[C@@H]2CCCCO2)c(O)c1 ZINC000877087426 634980490 /nfs/dbraw/zinc/98/04/90/634980490.db2.gz LPFUVBVXYZXZIL-INIZCTEOSA-N 1 0 277.408 3.386 20 10 CGCDRO Cc1noc(C)c1CCC[NH2+]Cc1c(C)cccc1O ZINC000877092709 634982479 /nfs/dbraw/zinc/98/24/79/634982479.db2.gz IJKJKVORYGMNJD-UHFFFAOYSA-N 1 0 274.364 3.028 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2ccn(C3CCCC3)n2)c(O)c1 ZINC000877100829 634984199 /nfs/dbraw/zinc/98/41/99/634984199.db2.gz WQUACGQKAXTOQE-UHFFFAOYSA-N 1 0 285.391 3.302 20 10 CGCDRO Cc1ccc(C[NH2+]CCC[C@@H]2CCCC[C@@H]2O)c(O)c1 ZINC000877098068 634984817 /nfs/dbraw/zinc/98/48/17/634984817.db2.gz KQFUPPSZSDHFLT-HOCLYGCPSA-N 1 0 277.408 3.122 20 10 CGCDRO CCOCCC1(C[NH2+]Cc2ccc(C)cc2O)CCC1 ZINC000877110543 634986299 /nfs/dbraw/zinc/98/62/99/634986299.db2.gz XYBKXUJXWWACOU-UHFFFAOYSA-N 1 0 277.408 3.387 20 10 CGCDRO Cc1ccc(C[NH2+]CCCc2cccs2)c(O)c1 ZINC000877120914 634990527 /nfs/dbraw/zinc/99/05/27/634990527.db2.gz KLFDLUJWKVLVJC-UHFFFAOYSA-N 1 0 261.390 3.485 20 10 CGCDRO Cc1ccc(C[NH2+][C@H]2CCN(C)[C@@H]2c2ccccc2)c(O)c1 ZINC000877129124 634994807 /nfs/dbraw/zinc/99/48/07/634994807.db2.gz YPEQULYSVJOYRM-PKOBYXMFSA-N 1 0 296.414 3.236 20 10 CGCDRO COCC[C@H]1CCCC[N@H+](Cc2ccc(C)cc2O)C1 ZINC000877396940 635034436 /nfs/dbraw/zinc/03/44/36/635034436.db2.gz DRFITLKBPOKHOX-OAHLLOKOSA-N 1 0 277.408 3.339 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]CC[C@@](C)(O)c1ccccc1 ZINC000877441778 635042294 /nfs/dbraw/zinc/04/22/94/635042294.db2.gz QZPOAKHJAKIMEV-GOSISDBHSA-N 1 0 285.387 3.088 20 10 CGCDRO COc1ccc(C[NH2+]Cc2ccc(C)cc2F)c(O)c1 ZINC000877494152 635058982 /nfs/dbraw/zinc/05/89/82/635058982.db2.gz UGCFDPGGKJOBEO-UHFFFAOYSA-N 1 0 275.323 3.138 20 10 CGCDRO Cc1ccc(C[NH2+]C[C@H](O)c2cc(C)cc(C)c2)c(O)c1 ZINC000877503703 635064866 /nfs/dbraw/zinc/06/48/66/635064866.db2.gz UHEPGSLQHNIFRW-SFHVURJKSA-N 1 0 285.387 3.141 20 10 CGCDRO Cc1ccc(C[NH+]2CCC3(CCOCC3)CC2)c(O)c1 ZINC000877508200 635065801 /nfs/dbraw/zinc/06/58/01/635065801.db2.gz SGUQQINYXORIGT-UHFFFAOYSA-N 1 0 275.392 3.093 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCC(F)(F)[C@H]2O)c(O)c1C ZINC000840886959 635075077 /nfs/dbraw/zinc/07/50/77/635075077.db2.gz PDQUWMFTXOHUIP-LNSITVRQSA-N 1 0 299.361 3.208 20 10 CGCDRO C[C@H]([NH2+]CC(C)(C)c1cccnc1)c1ccccc1O ZINC000840890644 635076347 /nfs/dbraw/zinc/07/63/47/635076347.db2.gz CELOXWJEQVXSNG-ZDUSSCGKSA-N 1 0 270.376 3.416 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@H]2CCC[C@H](CO)C2)c(O)c1 ZINC000840893615 635077172 /nfs/dbraw/zinc/07/71/72/635077172.db2.gz JJYVAUJXAJKMSH-KKUMJFAQSA-N 1 0 277.408 3.211 20 10 CGCDRO COCC[C@@H](C)[NH2+][C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000840892599 635077375 /nfs/dbraw/zinc/07/73/75/635077375.db2.gz BOFZHNGYRYMXTG-CABCVRRESA-N 1 0 278.440 3.007 20 10 CGCDRO Cc1ccc(C[N@@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c(O)c1 ZINC000877539941 635079775 /nfs/dbraw/zinc/07/97/75/635079775.db2.gz QSWIDXMQQOUKQJ-HOTGVXAUSA-N 1 0 275.392 3.090 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCOC(C)(C)C2)c(Cl)c1 ZINC000840908165 635080504 /nfs/dbraw/zinc/08/05/04/635080504.db2.gz VPNAXHULDWDXSH-NSHDSACASA-N 1 0 283.799 3.401 20 10 CGCDRO Cc1cc(O)c(CN2CC[C@@H]([NH+]3CCCC3)C2)c(Cl)c1 ZINC000840913091 635080964 /nfs/dbraw/zinc/08/09/64/635080964.db2.gz RJJMZMPSJRJZLS-CYBMUJFWSA-N 1 0 294.826 3.024 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@H+](C)Cc1ccc[nH]1 ZINC000840918810 635083042 /nfs/dbraw/zinc/08/30/42/635083042.db2.gz JXOMJMLSMCBQNR-UHFFFAOYSA-N 1 0 257.381 3.021 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@H+](C)Cc1cccn1C ZINC000840918654 635083197 /nfs/dbraw/zinc/08/31/97/635083197.db2.gz XFQHGCVWDDUBDO-UHFFFAOYSA-N 1 0 271.408 3.032 20 10 CGCDRO CO[C@H](C)C[N@H+](Cc1ccc(N(C)C)cc1C)C(C)C ZINC000840918527 635083381 /nfs/dbraw/zinc/08/33/81/635083381.db2.gz VACLHFQXGVPEDC-OAHLLOKOSA-N 1 0 278.440 3.306 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CC1(CO)CCCCC1 ZINC000840935621 635084911 /nfs/dbraw/zinc/08/49/11/635084911.db2.gz WAQHBXVVRITJHE-UHFFFAOYSA-N 1 0 290.451 3.093 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000840940058 635087310 /nfs/dbraw/zinc/08/73/10/635087310.db2.gz TULVDGBBPASEJZ-INIZCTEOSA-N 1 0 276.424 3.108 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@@H+](CC1CCC1)[C@H](C)CO ZINC000840943594 635089860 /nfs/dbraw/zinc/08/98/60/635089860.db2.gz VNUUZSMLFBKGLP-OAHLLOKOSA-N 1 0 290.451 3.044 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCOC[C@H]2C)c(Cl)c1 ZINC000840946985 635089937 /nfs/dbraw/zinc/08/99/37/635089937.db2.gz IUIRMNCEKUODQO-VXGBXAGGSA-N 1 0 283.799 3.116 20 10 CGCDRO Cc1cc(O)c(C[NH+]2CC(C3CC3)C2)c(Cl)c1 ZINC000840947763 635089964 /nfs/dbraw/zinc/08/99/64/635089964.db2.gz LMPRIUOSQOWKCI-UHFFFAOYSA-N 1 0 251.757 3.196 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@]3(CCOC3)C2)c(Cl)c1 ZINC000840949812 635090818 /nfs/dbraw/zinc/09/08/18/635090818.db2.gz CHEYBTCRIWKQOQ-INIZCTEOSA-N 1 0 295.810 3.357 20 10 CGCDRO CC[C@@H](COCC(F)(F)F)[NH2+]Cc1ccc(C)cc1O ZINC000877559898 635090805 /nfs/dbraw/zinc/09/08/05/635090805.db2.gz ZKARXGOZXFHRML-LBPRGKRZSA-N 1 0 291.313 3.148 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]C[C@H]1CCCC1(F)F ZINC000877566464 635095059 /nfs/dbraw/zinc/09/50/59/635095059.db2.gz YZSOEVMHQSRPAA-LLVKDONJSA-N 1 0 255.308 3.226 20 10 CGCDRO C[C@H]([NH2+]Cc1cc(Cl)ccc1O)[C@H]1CC1(F)F ZINC000840967295 635096312 /nfs/dbraw/zinc/09/63/12/635096312.db2.gz DRUZABRDZLNONL-OIBJUYFYSA-N 1 0 261.699 3.179 20 10 CGCDRO Cc1cccc(CNCC[NH2+]C2CCCCCC2)c1O ZINC000841028094 635108417 /nfs/dbraw/zinc/10/84/17/635108417.db2.gz LNXFMWBWZQHWQO-UHFFFAOYSA-N 1 0 276.424 3.103 20 10 CGCDRO Cc1ccc(C[NH2+]CC2CCC(F)CC2)c(O)c1 ZINC000877608421 635110483 /nfs/dbraw/zinc/11/04/83/635110483.db2.gz VEBYCYJAXYQRCS-UHFFFAOYSA-N 1 0 251.345 3.319 20 10 CGCDRO Nc1ccc(CC[NH2+][C@H]2Cc3ccc(Cl)cc3C2)cc1 ZINC000841036874 635111171 /nfs/dbraw/zinc/11/11/71/635111171.db2.gz WVEBIRRFBUHPCN-KRWDZBQOSA-N 1 0 286.806 3.222 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCC[C@]3(CC3(F)F)C2)c(O)c1 ZINC000877615661 635113386 /nfs/dbraw/zinc/11/33/86/635113386.db2.gz WQCQCMTYEWVZMM-AWEZNQCLSA-N 1 0 267.319 3.322 20 10 CGCDRO C[C@@H]1CCC[C@H]([NH2+]C[C@H](N)c2ccc(N(C)C)cc2)[C@H]1C ZINC000841046103 635114782 /nfs/dbraw/zinc/11/47/82/635114782.db2.gz WFKGQDSJGFPCSG-BODMPHMZSA-N 1 0 289.467 3.167 20 10 CGCDRO CCCCC[C@@H](C)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000841046264 635114818 /nfs/dbraw/zinc/11/48/18/635114818.db2.gz YRTUSQQLUZKFIN-PBHICJAKSA-N 1 0 277.456 3.311 20 10 CGCDRO Cc1ccc(C[NH2+]C[C@H]2CCN2Cc2ccccc2)c(O)c1 ZINC000877639328 635127265 /nfs/dbraw/zinc/12/72/65/635127265.db2.gz GLKXIGRGKQGHBP-GOSISDBHSA-N 1 0 296.414 3.065 20 10 CGCDRO COc1ccc([C@H]([NH2+]Cc2ccc(C)cc2O)C2CC2)cn1 ZINC000877662288 635136058 /nfs/dbraw/zinc/13/60/58/635136058.db2.gz PBELDXXOZPQCEM-GOSISDBHSA-N 1 0 298.386 3.345 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H](C2CCC2)[C@@H]2CCCO2)c1O ZINC000877701366 635152602 /nfs/dbraw/zinc/15/26/02/635152602.db2.gz SKUOTKOCRLJHTL-HOTGVXAUSA-N 1 0 275.392 3.138 20 10 CGCDRO Cc1ccc(C[N@@H+]2CC[C@@](C)(C(F)(F)F)C2)c(O)c1 ZINC000877810785 635213785 /nfs/dbraw/zinc/21/37/85/635213785.db2.gz MTPPGRRSBMGANP-CYBMUJFWSA-N 1 0 273.298 3.475 20 10 CGCDRO Cc1csc([C@@H]2CC[N@H+](Cc3cccc(C)c3O)C2)n1 ZINC000877813279 635218123 /nfs/dbraw/zinc/21/81/23/635218123.db2.gz JVWLCYWVIIMQDE-CQSZACIVSA-N 1 0 288.416 3.455 20 10 CGCDRO C[C@@H]([NH2+]CCN1CCCCC1)c1ccc(Cl)cc1O ZINC000841745624 635221505 /nfs/dbraw/zinc/22/15/05/635221505.db2.gz RKYKXXWFYOTVFX-GFCCVEGCSA-N 1 0 282.815 3.182 20 10 CGCDRO C[C@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-])C[NH+]1CCCC1 ZINC000841745307 635221601 /nfs/dbraw/zinc/22/16/01/635221601.db2.gz POPYEUMKPBQSDS-OLZOCXBDSA-N 1 0 296.842 3.428 20 10 CGCDRO C[C@@H]([NH2+]C[C@H](O)c1ccsc1)c1ccc(Cl)cc1O ZINC000841748495 635223645 /nfs/dbraw/zinc/22/36/45/635223645.db2.gz ACPPLYCTZQVLMN-OTYXRUKQSA-N 1 0 297.807 3.491 20 10 CGCDRO CO[C@@H](C[NH2+][C@H](C)c1ccccc1O)CC(C)C ZINC000841755717 635230274 /nfs/dbraw/zinc/23/02/74/635230274.db2.gz LRITXRVQCJAEPB-CHWSQXEVSA-N 1 0 251.370 3.104 20 10 CGCDRO CC[C@H](C)[C@@H](O)C[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841758389 635231355 /nfs/dbraw/zinc/23/13/55/635231355.db2.gz GSVZJOXLTTUXHR-RBZYPMLTSA-N 1 0 271.788 3.103 20 10 CGCDRO C[C@H]([NH2+]C[C@]1(C)CCCO1)c1ccc(Cl)cc1O ZINC000841757393 635231891 /nfs/dbraw/zinc/23/18/91/635231891.db2.gz GCJTXKZMFQNWLR-HZMBPMFUSA-N 1 0 269.772 3.265 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H]2COCc3ccccc32)c1O ZINC000841890927 635247078 /nfs/dbraw/zinc/24/70/78/635247078.db2.gz KVTYIJNLCZDCGB-MRXNPFEDSA-N 1 0 269.344 3.062 20 10 CGCDRO CCOc1ccc(C[NH2+][C@@H]2COCc3ccccc32)c(O)c1 ZINC000841890989 635247766 /nfs/dbraw/zinc/24/77/66/635247766.db2.gz LNGAZMJETGTQGY-QGZVFWFLSA-N 1 0 299.370 3.152 20 10 CGCDRO COc1ccc(N(C)CC[C@H]2CCC[NH2+]C2)cc1Cl ZINC000842472914 635377426 /nfs/dbraw/zinc/37/74/26/635377426.db2.gz KVECEXNWXQTVSY-GFCCVEGCSA-N 1 0 282.815 3.175 20 10 CGCDRO C[C@@H]1SCC[C@H]1[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000842779021 635470967 /nfs/dbraw/zinc/47/09/67/635470967.db2.gz JEHHDGUCYLHUHQ-WAXTVWTQSA-N 1 0 276.449 3.249 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CC3(CCC3)CO2)c1 ZINC000878360564 635474124 /nfs/dbraw/zinc/47/41/24/635474124.db2.gz OVYUWNJAMCLTLV-JSGCOSHPSA-N 1 0 291.391 3.011 20 10 CGCDRO CCc1cnc(CN2CCCc3cc(C[NH3+])ccc32)s1 ZINC000843058586 635553220 /nfs/dbraw/zinc/55/32/20/635553220.db2.gz WBYWDOURSTZMNF-UHFFFAOYSA-N 1 0 287.432 3.117 20 10 CGCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1cc(F)cc(F)c1 ZINC000843058404 635553527 /nfs/dbraw/zinc/55/35/27/635553527.db2.gz REECMMIVERCLJA-UHFFFAOYSA-N 1 0 288.341 3.376 20 10 CGCDRO COc1ccc(N(Cc2cccs2)C[C@H](C)[NH3+])cc1 ZINC000843356705 635652545 /nfs/dbraw/zinc/65/25/45/635652545.db2.gz WLOZLBSLCBZDBH-LBPRGKRZSA-N 1 0 276.405 3.111 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+]Cc2ccc(CO)cc2)c1O ZINC000843419461 635665101 /nfs/dbraw/zinc/66/51/01/635665101.db2.gz JKVZZQMALDOLDD-UHFFFAOYSA-N 1 0 291.778 3.136 20 10 CGCDRO CCCC[C@](C)(CO)[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000843426326 635670312 /nfs/dbraw/zinc/67/03/12/635670312.db2.gz SMZRNOLQVYDRKO-OAHLLOKOSA-N 1 0 285.815 3.385 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCOC[C@H]1C1CCC1 ZINC000843428249 635673045 /nfs/dbraw/zinc/67/30/45/635673045.db2.gz DWFICLQDNLMFHD-SFHVURJKSA-N 1 0 288.435 3.062 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000843433155 635674722 /nfs/dbraw/zinc/67/47/22/635674722.db2.gz VDJJDDHWOHJBBY-OAHLLOKOSA-N 1 0 288.435 3.204 20 10 CGCDRO Cc1cc(C[NH+]2CCC(C(C)(C)O)CC2)ccc1N(C)C ZINC000879628140 635821494 /nfs/dbraw/zinc/82/14/94/635821494.db2.gz GSTZRTKSVWGBAK-UHFFFAOYSA-N 1 0 290.451 3.044 20 10 CGCDRO C[C@H]([NH2+]CCC(=O)N(C)c1ccccc1)c1ccccc1O ZINC000879650375 635826695 /nfs/dbraw/zinc/82/66/95/635826695.db2.gz XKZGZBGQTPJLJQ-AWEZNQCLSA-N 1 0 298.386 3.096 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc(N(C)CC)cc1)[C@@H]1CCCOC1 ZINC000880470198 636006572 /nfs/dbraw/zinc/00/65/72/636006572.db2.gz OCIRMTZJIPDPJI-SJLPKXTDSA-N 1 0 290.451 3.438 20 10 CGCDRO Oc1ccccc1C[NH+]1CCC2(CC1)C(F)(F)C2(F)F ZINC000846015681 636129995 /nfs/dbraw/zinc/12/99/95/636129995.db2.gz PICXOJUDCOJJHJ-UHFFFAOYSA-N 1 0 289.272 3.259 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@@H](CC)OC[C@H]2CC)c1 ZINC000846028012 636132183 /nfs/dbraw/zinc/13/21/83/636132183.db2.gz UCMZECVAGSYDIW-HUUCEWRRSA-N 1 0 293.407 3.180 20 10 CGCDRO C[C@H](COCC1CC1)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000846073721 636141677 /nfs/dbraw/zinc/14/16/77/636141677.db2.gz QGVWTYXZEOZNFB-FOSCPCJNSA-N 1 0 288.435 3.171 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000846107437 636144705 /nfs/dbraw/zinc/14/47/05/636144705.db2.gz HEOSYQMUVMERKD-AWEZNQCLSA-N 1 0 283.318 3.022 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)c2cccnc2)c1O ZINC000846137273 636148620 /nfs/dbraw/zinc/14/86/20/636148620.db2.gz MYKXDNWMJMCADB-NWDGAFQWSA-N 1 0 272.348 3.208 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]Cc2cccs2)c1O ZINC000846138922 636148818 /nfs/dbraw/zinc/14/88/18/636148818.db2.gz XVPPJKNPZWBBLT-SNVBAGLBSA-N 1 0 263.362 3.313 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H]2Cc3ccccc32)c1O ZINC000846143268 636149266 /nfs/dbraw/zinc/14/92/66/636149266.db2.gz DCVZHWVFOGPIFC-OCCSQVGLSA-N 1 0 283.371 3.391 20 10 CGCDRO CC[C@@H]([NH2+][C@H](C)c1cccc(OC)c1O)C1CCOCC1 ZINC000846144045 636149452 /nfs/dbraw/zinc/14/94/52/636149452.db2.gz FWFLYYVHNNEOFJ-IUODEOHRSA-N 1 0 293.407 3.257 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@H](C)c2ccc[nH]2)c1O ZINC000846158181 636150611 /nfs/dbraw/zinc/15/06/11/636150611.db2.gz UMYMSKWXIHWPQS-WDEREUQCSA-N 1 0 260.337 3.141 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)c1cccc(OC)c1O)[C@H]1CCCO1 ZINC000846155627 636150647 /nfs/dbraw/zinc/15/06/47/636150647.db2.gz APFRVJITWKOAIB-KWCYVHTRSA-N 1 0 279.380 3.009 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]C[C@H](C)c2nccs2)c1O ZINC000846162673 636151052 /nfs/dbraw/zinc/15/10/52/636151052.db2.gz IYCZRPMBIZVTAA-WDEREUQCSA-N 1 0 292.404 3.312 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]CC2CC(C)(C)C2)c1O ZINC000846165909 636152135 /nfs/dbraw/zinc/15/21/35/636152135.db2.gz PKIURVFVTUFCEX-LLVKDONJSA-N 1 0 263.381 3.488 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2C[C@H]2CC(C)C)c1O ZINC000846169723 636153086 /nfs/dbraw/zinc/15/30/86/636153086.db2.gz SFWGGEWIMFBXGE-OUCADQQQSA-N 1 0 263.381 3.486 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)[C@@](C)(OC)C2CC2)c1O ZINC000846173423 636153659 /nfs/dbraw/zinc/15/36/59/636153659.db2.gz QSROESLUFVMQJT-NVGCLXPQSA-N 1 0 293.407 3.255 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)CCC2CCOCC2)cc1F ZINC000129643603 636330062 /nfs/dbraw/zinc/33/00/62/636330062.db2.gz HDQOQLUPDOGIEO-UHFFFAOYSA-N 1 0 294.414 3.140 20 10 CGCDRO COc1cccc(C[NH2+]C2CCC(OC(C)C)CC2)c1O ZINC000130348177 636443385 /nfs/dbraw/zinc/44/33/85/636443385.db2.gz FBORAXBIVMESFC-UHFFFAOYSA-N 1 0 293.407 3.227 20 10 CGCDRO CSc1ccc(C[NH2+]Cc2ccc(N(C)C)cc2)o1 ZINC000882880834 636445039 /nfs/dbraw/zinc/44/50/39/636445039.db2.gz KWQYVNURKAHUDK-UHFFFAOYSA-N 1 0 276.405 3.357 20 10 CGCDRO COc1ccc2c(c1)C[N@@H+](Cc1cc3c(cc1O)CCC3)C2 ZINC000848499457 636580771 /nfs/dbraw/zinc/58/07/71/636580771.db2.gz LAUUIEIZPKRJEH-UHFFFAOYSA-N 1 0 295.382 3.405 20 10 CGCDRO Cc1ncncc1[C@@H](C)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000848517599 636584114 /nfs/dbraw/zinc/58/41/14/636584114.db2.gz GLLMYOGOJVHKDS-CQSZACIVSA-N 1 0 296.418 3.236 20 10 CGCDRO CCOCC[N@H+](CC)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000107668420 636590056 /nfs/dbraw/zinc/59/00/56/636590056.db2.gz WQRNBZKECIHKPK-UHFFFAOYSA-N 1 0 295.423 3.254 20 10 CGCDRO C[C@H]([NH2+][C@@H](C1CC1)[C@@H]1CCCCO1)c1ccccc1O ZINC000848557003 636604031 /nfs/dbraw/zinc/60/40/31/636604031.db2.gz BJFKHOWXDGVVSG-ZLIFDBKOSA-N 1 0 275.392 3.391 20 10 CGCDRO COc1ccc(C[NH2+][C@H](C2CC2)[C@@H]2CCCCO2)cc1C ZINC000848561395 636606326 /nfs/dbraw/zinc/60/63/26/636606326.db2.gz YQQPYXLGPWTUIK-ZWKOTPCHSA-N 1 0 289.419 3.441 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H](C2CC2)[C@@H]2CCCCO2)c1 ZINC000848561322 636606667 /nfs/dbraw/zinc/60/66/67/636606667.db2.gz WNUAVZZDUPTCRT-IRXDYDNUSA-N 1 0 275.392 3.138 20 10 CGCDRO C[C@@H]([NH2+]C[C@H](C)C(=O)OC(C)(C)C)c1cc(F)ccc1O ZINC000848563635 636607538 /nfs/dbraw/zinc/60/75/38/636607538.db2.gz VYLUHDHGAVMMMU-WDEREUQCSA-N 1 0 297.370 3.160 20 10 CGCDRO CCOc1ccc(C[NH2+][C@H](COC)CC(C)(C)C)c(O)c1 ZINC000848567145 636610373 /nfs/dbraw/zinc/61/03/73/636610373.db2.gz PJECUCIOIWERON-AWEZNQCLSA-N 1 0 295.423 3.332 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]C[C@@H]1CCC3(CCCC3)O1)CC2 ZINC000848570112 636612106 /nfs/dbraw/zinc/61/21/06/636612106.db2.gz HIVUFRQFLUAGHK-LSDHHAIUSA-N 1 0 287.403 3.461 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@H]1CCCCO1 ZINC000848574994 636613319 /nfs/dbraw/zinc/61/33/19/636613319.db2.gz KJJVFSKMPKREBJ-NVXWUHKLSA-N 1 0 275.392 3.059 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H]1C[C@H](OC)C1)c1ccc(N(C)C)cc1 ZINC000883270624 636641918 /nfs/dbraw/zinc/64/19/18/636641918.db2.gz RZLFICFMCISVEZ-KBRIMQKVSA-N 1 0 276.424 3.218 20 10 CGCDRO CCc1cccc(C[N@H+](C)Cc2ccoc2C)c1O ZINC000848883077 636671776 /nfs/dbraw/zinc/67/17/76/636671776.db2.gz IUXIMAZQQUJUSY-UHFFFAOYSA-N 1 0 259.349 3.488 20 10 CGCDRO CCc1cccc(C[NH+]2CCC(c3ncc[nH]3)CC2)c1O ZINC000848884190 636673137 /nfs/dbraw/zinc/67/31/37/636673137.db2.gz ZSYMRVIMJBSYAY-UHFFFAOYSA-N 1 0 285.391 3.057 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCS[C@H](CC)C2)c1O ZINC000848887432 636674601 /nfs/dbraw/zinc/67/46/01/636674601.db2.gz WIEOVFDWOKWKFR-CQSZACIVSA-N 1 0 265.422 3.282 20 10 CGCDRO CCc1cccc(C[N@H+](C)Cc2cccc(C)n2)c1O ZINC000848888472 636675959 /nfs/dbraw/zinc/67/59/59/636675959.db2.gz UXJOQBVYYWPFEF-UHFFFAOYSA-N 1 0 270.376 3.290 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCOC3(CCCC3)C2)c1O ZINC000848887790 636676258 /nfs/dbraw/zinc/67/62/58/636676258.db2.gz FIUPFQXWOGACLA-UHFFFAOYSA-N 1 0 275.392 3.100 20 10 CGCDRO CCc1cccc(C[NH2+][C@H]2COc3ccccc3C2)c1O ZINC000848896044 636680078 /nfs/dbraw/zinc/68/00/78/636680078.db2.gz YXTOJTKYWGJONL-MRXNPFEDSA-N 1 0 283.371 3.048 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@@H](C)c2c(C)noc2C)c1O ZINC000848899420 636680953 /nfs/dbraw/zinc/68/09/53/636680953.db2.gz NZLGHSKPMNTKPL-LLVKDONJSA-N 1 0 288.391 3.453 20 10 CGCDRO CCc1noc(CC)c1C[NH2+]Cc1cccc(CC)c1O ZINC000848899836 636681681 /nfs/dbraw/zinc/68/16/81/636681681.db2.gz VCECKZSHWXEOKI-UHFFFAOYSA-N 1 0 288.391 3.357 20 10 CGCDRO CCc1cccc(C[NH2+]CCc2cnc(C)s2)c1O ZINC000848900007 636681893 /nfs/dbraw/zinc/68/18/93/636681893.db2.gz WRZHJANYMJTJHC-UHFFFAOYSA-N 1 0 276.405 3.052 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@@H](O)c2cc(C)cc(C)c2)c1O ZINC000848909566 636686154 /nfs/dbraw/zinc/68/61/54/636686154.db2.gz WTNBBWFMWLOELQ-GOSISDBHSA-N 1 0 299.414 3.395 20 10 CGCDRO CCc1cccc(CN2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c1O ZINC000848910520 636686770 /nfs/dbraw/zinc/68/67/70/636686770.db2.gz KYZKSISQDYKBEI-WMLDXEAASA-N 1 0 288.435 3.013 20 10 CGCDRO CCc1cccc(C[N@H+](C)[C@@H](CO)CC(C)(C)C)c1O ZINC000848915068 636688583 /nfs/dbraw/zinc/68/85/83/636688583.db2.gz RYDWHQIXCLGGBD-OAHLLOKOSA-N 1 0 279.424 3.184 20 10 CGCDRO CCc1cccc(C[N@@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)c1O ZINC000848914796 636688636 /nfs/dbraw/zinc/68/86/36/636688636.db2.gz SPYHCOVETABACB-ZWKOTPCHSA-N 1 0 287.403 3.098 20 10 CGCDRO CCc1cccc(C[N@@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)c1O ZINC000848914795 636688919 /nfs/dbraw/zinc/68/89/19/636688919.db2.gz SPYHCOVETABACB-ROUUACIJSA-N 1 0 287.403 3.098 20 10 CGCDRO CCc1cccc(C[NH2+][C@H](C)C2(OC)CCC2)c1O ZINC000848916764 636690243 /nfs/dbraw/zinc/69/02/43/636690243.db2.gz MKJRPMUTEGCLMT-GFCCVEGCSA-N 1 0 263.381 3.002 20 10 CGCDRO CCc1cccc(C[N@@H+]2CC[C@@H](OC)C(C)(C)C2)c1O ZINC000848915787 636690270 /nfs/dbraw/zinc/69/02/70/636690270.db2.gz LZQTVTZQQQIAGI-OAHLLOKOSA-N 1 0 277.408 3.202 20 10 CGCDRO CCc1cccc(C[N@@H+]2CC3(C[C@@H]2C)CCOCC3)c1O ZINC000848919294 636690843 /nfs/dbraw/zinc/69/08/43/636690843.db2.gz JGVGBFBAQMAZSU-AWEZNQCLSA-N 1 0 289.419 3.346 20 10 CGCDRO C[C@@H](O)C[N@H+](Cc1cc(-c2ccccc2)ccc1O)C1CC1 ZINC000848929444 636699981 /nfs/dbraw/zinc/69/99/81/636699981.db2.gz WYJVUGQBSYIXKW-CQSZACIVSA-N 1 0 297.398 3.404 20 10 CGCDRO C[C@@H]([NH2+]CC1(O)CCCCCC1)c1ccc(N(C)C)cc1 ZINC000087088637 636788781 /nfs/dbraw/zinc/78/87/81/636788781.db2.gz JAIHZRLVZXVWJX-OAHLLOKOSA-N 1 0 290.451 3.489 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CCc2cscn2)cc1 ZINC000108942148 636893580 /nfs/dbraw/zinc/89/35/80/636893580.db2.gz GZZZMYWSMVXZSC-UHFFFAOYSA-N 1 0 289.448 3.322 20 10 CGCDRO Cc1nc(CNc2ccccc2OCC2CC2)[nH]c1C ZINC000850154787 636968436 /nfs/dbraw/zinc/96/84/36/636968436.db2.gz CJKOHQBSTPRGFT-UHFFFAOYSA-N 1 0 271.364 3.427 20 10 CGCDRO CC[C@H](COCC1CC1)[NH2+]Cc1cc(C)c(C)cc1O ZINC000850349522 637022766 /nfs/dbraw/zinc/02/27/66/637022766.db2.gz GVFHHCXZPKWMIK-MRXNPFEDSA-N 1 0 277.408 3.304 20 10 CGCDRO CCC(O)(CC)C(C)(C)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000850353762 637023678 /nfs/dbraw/zinc/02/36/78/637023678.db2.gz MCHVVZBGGNALJE-UHFFFAOYSA-N 1 0 292.467 3.420 20 10 CGCDRO COc1ccc(C[NH2+]CCc2cnccc2C)cc1C ZINC000850355686 637024638 /nfs/dbraw/zinc/02/46/38/637024638.db2.gz LYCTUUKPLSQGJI-UHFFFAOYSA-N 1 0 270.376 3.039 20 10 CGCDRO COc1cccc(C[NH2+]CCc2ccc(C)c(C)c2)c1O ZINC000850366716 637031251 /nfs/dbraw/zinc/03/12/51/637031251.db2.gz KBUMGVNXZGWQAS-UHFFFAOYSA-N 1 0 285.387 3.350 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H]([C@H]3CCCO3)C2)cc1C ZINC000884483078 637041566 /nfs/dbraw/zinc/04/15/66/637041566.db2.gz NCYFWBMKODJSRO-RHSMWYFYSA-N 1 0 275.392 3.010 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1ccc(Br)cc1O ZINC000134915427 637049647 /nfs/dbraw/zinc/04/96/47/637049647.db2.gz GZMRRGFGVLBUGR-GUBZILKMSA-N 1 0 284.197 3.461 20 10 CGCDRO COC1CC(CC[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)C1 ZINC000850482319 637085701 /nfs/dbraw/zinc/08/57/01/637085701.db2.gz NMUGEJXLMYXGOK-BBCYWQGDSA-N 1 0 293.382 3.484 20 10 CGCDRO CC[C@@H](COCC1CC1)[NH2+][C@H](C)c1ccccc1O ZINC000850495298 637091064 /nfs/dbraw/zinc/09/10/64/637091064.db2.gz ZNZZTIKZVMPDHP-OCCSQVGLSA-N 1 0 263.381 3.248 20 10 CGCDRO CC[C@H]([NH2+][C@H]1COC2(CCC2)C1)c1ccc(C)cc1O ZINC000850523264 637102389 /nfs/dbraw/zinc/10/23/89/637102389.db2.gz DXZZPHIGPDHGLH-HIFRSBDPSA-N 1 0 275.392 3.453 20 10 CGCDRO CC[C@H]([NH2+]C[C@H](CO)CC1CC1)c1ccc(N(C)C)cc1 ZINC000850544069 637115984 /nfs/dbraw/zinc/11/59/84/637115984.db2.gz BYRGPQORVGSQEV-QAPCUYQASA-N 1 0 290.451 3.202 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2C[C@@H](O)C23CCC3)cc1 ZINC000850547753 637116953 /nfs/dbraw/zinc/11/69/53/637116953.db2.gz VRYCACOICYEWKC-RRQGHBQHSA-N 1 0 288.435 3.097 20 10 CGCDRO CCSC1(C[NH2+][C@@H](C)c2cccc(OC)c2O)CC1 ZINC000850551372 637117616 /nfs/dbraw/zinc/11/76/16/637117616.db2.gz HKMFDCAZNGHZRK-NSHDSACASA-N 1 0 281.421 3.337 20 10 CGCDRO Cc1cncc(CC[NH2+][C@@H](C)c2ccc(Cl)cc2O)n1 ZINC000850549223 637118185 /nfs/dbraw/zinc/11/81/85/637118185.db2.gz FGHAJMPSRDYGAQ-NSHDSACASA-N 1 0 291.782 3.037 20 10 CGCDRO CCCN1CC[C@H]([NH2+][C@H](C)c2cc(Cl)ccc2O)C1 ZINC000850554046 637118720 /nfs/dbraw/zinc/11/87/20/637118720.db2.gz HHJVDXAJCGJOII-YPMHNXCESA-N 1 0 282.815 3.181 20 10 CGCDRO CC[C@@H]([NH2+]CC1CCC(O)CC1)c1ccc(N(C)C)cc1 ZINC000850557132 637121922 /nfs/dbraw/zinc/12/19/22/637121922.db2.gz UTNCHKAEDOQFLZ-IUPXNIOVSA-N 1 0 290.451 3.344 20 10 CGCDRO C[C@H]([NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F)c1nccn1C ZINC000850571781 637128659 /nfs/dbraw/zinc/12/86/59/637128659.db2.gz AOOMZXZTIGOKDN-JFGNBEQYSA-N 1 0 289.354 3.164 20 10 CGCDRO COC(CC[N@H+](Cc1ccccc1O)C1CCCC1)OC ZINC000851772145 637496213 /nfs/dbraw/zinc/49/62/13/637496213.db2.gz YPCXLBAJISSCDC-UHFFFAOYSA-N 1 0 293.407 3.146 20 10 CGCDRO CCC[N@H+](Cc1ccccc1O)[C@H]1CC[C@@H](OC)C1 ZINC000851793050 637505027 /nfs/dbraw/zinc/50/50/27/637505027.db2.gz VUIGTHLCOAMFET-LSDHHAIUSA-N 1 0 263.381 3.172 20 10 CGCDRO CCC[N@H+](CC[C@@H]1COC(C)(C)O1)Cc1ccccc1O ZINC000851792963 637505609 /nfs/dbraw/zinc/50/56/09/637505609.db2.gz VJPWMMTWQHJQOY-OAHLLOKOSA-N 1 0 293.407 3.146 20 10 CGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H](OC)C1CCC1 ZINC000851792925 637505797 /nfs/dbraw/zinc/50/57/97/637505797.db2.gz UNBGTQIWMRVJPT-QGZVFWFLSA-N 1 0 277.408 3.419 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]C2(C3CC3)CCC2)c1 ZINC000886391923 637524609 /nfs/dbraw/zinc/52/46/09/637524609.db2.gz HLLQPIRXRIKRCJ-UHFFFAOYSA-N 1 0 261.365 3.213 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCc2cccnc21 ZINC000886529120 637555043 /nfs/dbraw/zinc/55/50/43/637555043.db2.gz WOLXZCNDXJXMQB-KRWDZBQOSA-N 1 0 281.403 3.233 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1c([O-])cccc1F ZINC000886536354 637562038 /nfs/dbraw/zinc/56/20/38/637562038.db2.gz GHMSNMDZSHXDGM-AVGNSLFASA-N 1 0 280.387 3.055 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2CC3(CCC3)CO2)c1O ZINC000886702817 637664431 /nfs/dbraw/zinc/66/44/31/637664431.db2.gz DHSYRSSQXWJZHM-STQMWFEESA-N 1 0 291.391 3.011 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C2(C3CC3)CCC2)c1 ZINC000886825344 637710377 /nfs/dbraw/zinc/71/03/77/637710377.db2.gz QWXUXRNLCAINMU-LLVKDONJSA-N 1 0 261.365 3.384 20 10 CGCDRO O=C(C=C1CC[NH2+]CC1)N1CCCCCc2ccccc21 ZINC000852848730 637719380 /nfs/dbraw/zinc/71/93/80/637719380.db2.gz QFVFYPZBDNNTNE-UHFFFAOYSA-N 1 0 284.403 3.056 20 10 CGCDRO CCCN(CCC)c1ccc(CN[C@H](C)C[NH2+]C)cc1 ZINC000853250513 637795140 /nfs/dbraw/zinc/79/51/40/637795140.db2.gz RCXHTKSSFGITED-OAHLLOKOSA-N 1 0 277.456 3.011 20 10 CGCDRO Oc1ccccc1C[NH2+]C[C@H]1CCc2ccccc21 ZINC000111390448 637860306 /nfs/dbraw/zinc/86/03/06/637860306.db2.gz LIVBVIKTHYDVFG-CQSZACIVSA-N 1 0 253.345 3.212 20 10 CGCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000853577686 637869008 /nfs/dbraw/zinc/86/90/08/637869008.db2.gz IIBOBSPNHNYLBF-VXGBXAGGSA-N 1 0 275.392 3.237 20 10 CGCDRO CCc1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000223990898 637900730 /nfs/dbraw/zinc/90/07/30/637900730.db2.gz ZOVDAWFAGANLJS-UHFFFAOYSA-N 1 0 267.372 3.474 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(N)c2)c(O)c1 ZINC000854216508 638024876 /nfs/dbraw/zinc/02/48/76/638024876.db2.gz BEDKJNLXZSCXBS-GFCCVEGCSA-N 1 0 256.349 3.134 20 10 CGCDRO C[NH2+]C[C@@H](C)N[C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000854231254 638029254 /nfs/dbraw/zinc/02/92/54/638029254.db2.gz CZWOLNIYXDQXKS-HZPDHXFCSA-N 1 0 289.467 3.326 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2CCCO)cc1 ZINC000924574294 638365795 /nfs/dbraw/zinc/36/57/95/638365795.db2.gz NEIOCMHSIGIRIH-SJLPKXTDSA-N 1 0 290.451 3.174 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+]CC[C@H]2CC2(F)F)cc1 ZINC000856802969 638391639 /nfs/dbraw/zinc/39/16/39/638391639.db2.gz WHKXSEATULCFCG-XGACYXMMSA-N 1 0 280.362 3.401 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cccc(OC)n1 ZINC000924901622 638422611 /nfs/dbraw/zinc/42/26/11/638422611.db2.gz SHCVKCHRQDPJMC-OAHLLOKOSA-N 1 0 298.386 3.266 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC000857066111 638448744 /nfs/dbraw/zinc/44/87/44/638448744.db2.gz XNTUCELCWOMDDJ-SECBINFHSA-N 1 0 278.154 3.205 20 10 CGCDRO C[C@H]([NH2+]CCCSc1nccs1)c1cc[nH]c(=O)c1 ZINC000925101100 638452218 /nfs/dbraw/zinc/45/22/18/638452218.db2.gz FLEWGAMOVRMJBZ-JTQLQIEISA-N 1 0 295.433 3.077 20 10 CGCDRO CSC1CC([NH2+]CCCSc2nccs2)C1 ZINC000925102547 638453610 /nfs/dbraw/zinc/45/36/10/638453610.db2.gz MEECXNARDHIDON-UHFFFAOYSA-N 1 0 274.480 3.109 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](CO)CCC(C)C)c(O)c1C ZINC000858484938 638735977 /nfs/dbraw/zinc/73/59/77/638735977.db2.gz GJPSXQOJEVIYHW-HUUCEWRRSA-N 1 0 279.424 3.457 20 10 CGCDRO C[C@H]([NH2+]C1CC2(C1)CO[C@H](C)C2)c1ccc(N(C)C)cc1 ZINC000926211101 638741997 /nfs/dbraw/zinc/74/19/97/638741997.db2.gz WRQBIZLGAQNWMQ-RTTWGWCOSA-N 1 0 288.435 3.361 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@]2(C)C[C@H]3C[C@H]3C2)c1O ZINC000858536745 638757495 /nfs/dbraw/zinc/75/74/95/638757495.db2.gz JVVMBOCRBAISLI-JRATXPSKSA-N 1 0 275.392 3.488 20 10 CGCDRO C/C=C/C[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000858538414 638757713 /nfs/dbraw/zinc/75/77/13/638757713.db2.gz UOTYBPSCGXYIAL-NWALNABHSA-N 1 0 270.170 3.381 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CO[C@@H](C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000858546453 638758363 /nfs/dbraw/zinc/75/83/63/638758363.db2.gz VFFVXKSQFFRCQO-BPQIPLTHSA-N 1 0 288.435 3.361 20 10 CGCDRO C[C@@H]([NH2+]C[C@]12CCC[C@H]1OCC2)c1cc(F)ccc1O ZINC000926917232 638825149 /nfs/dbraw/zinc/82/51/49/638825149.db2.gz ZCBOUDGTYJSHQW-HFBAOOFYSA-N 1 0 279.355 3.141 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+][C@@H]1CCCc3cccnc31)CC2 ZINC000927062420 638836441 /nfs/dbraw/zinc/83/64/41/638836441.db2.gz MHBQRCFPOBXEGE-LSDHHAIUSA-N 1 0 280.371 3.442 20 10 CGCDRO COC[C@@H](C[NH2+][C@H](C)c1cc(F)ccc1O)C(C)C ZINC000927096512 638841261 /nfs/dbraw/zinc/84/12/61/638841261.db2.gz LYZQBLJWUFHJRF-VXGBXAGGSA-N 1 0 269.360 3.101 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]CC[C@@H]1CCC3(CCC3)O1)CC2 ZINC000927123808 638845609 /nfs/dbraw/zinc/84/56/09/638845609.db2.gz BOHBUTQQXIOXQD-GJZGRUSLSA-N 1 0 287.403 3.461 20 10 CGCDRO CO[C@H]1C[C@H]([NH2+][C@H](C)c2cc3c(cc2O)CCCC3)C1 ZINC000858583619 638998391 /nfs/dbraw/zinc/99/83/91/638998391.db2.gz DZCFJILZUHVJDY-KCPJHIHWSA-N 1 0 275.392 3.099 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H]1C[C@@H](OC)C1)c1ccc(N(C)C)cc1 ZINC000858593088 638998850 /nfs/dbraw/zinc/99/88/50/638998850.db2.gz RZLFICFMCISVEZ-XOKHGSTOSA-N 1 0 276.424 3.218 20 10 CGCDRO C[C@@H]([NH2+]Cc1cc[nH]n1)c1ccc2ccccc2c1O ZINC000041014136 639898575 /nfs/dbraw/zinc/89/85/75/639898575.db2.gz IUYVOXZHCYIHQX-LLVKDONJSA-N 1 0 267.332 3.119 20 10 CGCDRO Cc1cc(C)c(O)c(C[NH+]2CCC([C@H]3CCCO3)CC2)c1 ZINC000190180899 640232535 /nfs/dbraw/zinc/23/25/35/640232535.db2.gz ZLOFVXLNILBHPC-QGZVFWFLSA-N 1 0 289.419 3.400 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](CO)Cc1ccc(C)cc1)c1ccccc1O ZINC000191578996 640320012 /nfs/dbraw/zinc/32/00/12/640320012.db2.gz CMPYUZMTTGEIET-SJLPKXTDSA-N 1 0 299.414 3.345 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCS[C@@H](C)CC2)c1 ZINC000191662663 640326074 /nfs/dbraw/zinc/32/60/74/640326074.db2.gz YFOZNDSVEWDWIR-ZDUSSCGKSA-N 1 0 265.422 3.336 20 10 CGCDRO CCCN(Cc1cc(C#N)cs1)c1ccc(C[NH3+])cc1 ZINC000194979352 640561452 /nfs/dbraw/zinc/56/14/52/640561452.db2.gz JLRNSHBOKWVDAJ-UHFFFAOYSA-N 1 0 285.416 3.495 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]Cc1ccsc1 ZINC000083551898 640596590 /nfs/dbraw/zinc/59/65/90/640596590.db2.gz SMADGAALSMGAGA-UHFFFAOYSA-N 1 0 253.754 3.397 20 10 CGCDRO O=[N+]([O-])c1ccccc1C[NH2+]Cc1c(O)cccc1Cl ZINC000083551946 640597713 /nfs/dbraw/zinc/59/77/13/640597713.db2.gz HKVDMNMRPUMRMV-UHFFFAOYSA-N 1 0 292.722 3.244 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CC[C@H](C)[C@@H](C)C2)c1O ZINC000245755029 640635783 /nfs/dbraw/zinc/63/57/83/640635783.db2.gz OVADWWSZWBYGRF-STQMWFEESA-N 1 0 263.381 3.187 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCOC1)c1ccc(N2CCCCC2)cc1 ZINC000090774192 640691944 /nfs/dbraw/zinc/69/19/44/640691944.db2.gz HVSHNTGHHPICDZ-GDBMZVCRSA-N 1 0 274.408 3.116 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCOC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000090774290 640692586 /nfs/dbraw/zinc/69/25/86/640692586.db2.gz VNOZEAYRNIYNEC-UKRRQHHQSA-N 1 0 292.398 3.256 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCO[C@@H](C)[C@H]2C)cc1C(C)C ZINC000246863465 640697690 /nfs/dbraw/zinc/69/76/90/640697690.db2.gz DCHJTBQPIAWPSZ-KGLIPLIRSA-N 1 0 277.408 3.433 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCCc3cccnc32)cc1 ZINC000091660396 640718045 /nfs/dbraw/zinc/71/80/45/640718045.db2.gz MGCAGRHAPPDNPK-KRWDZBQOSA-N 1 0 281.403 3.315 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCN2CCCC[C@H]2C)c(O)c1 ZINC000248491110 640763261 /nfs/dbraw/zinc/76/32/61/640763261.db2.gz IOQLAWXPOGIJPC-HUUCEWRRSA-N 1 0 276.424 3.226 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)CN1CCC[C@@H](C)C1)c1ccc(F)cc1[O-] ZINC000248518506 640765525 /nfs/dbraw/zinc/76/55/25/640765525.db2.gz PVYZGTHEIPMKMO-HZSPNIEDSA-N 1 0 294.414 3.302 20 10 CGCDRO CCOc1ccc(O)c(C[NH+]2C[C@H]3CCCC[C@@H]3C2)c1 ZINC000093442150 640771165 /nfs/dbraw/zinc/77/11/65/640771165.db2.gz YYJPCFVSMXPDMQ-ZIAGYGMSSA-N 1 0 275.392 3.413 20 10 CGCDRO Cc1ccc(O)c(C[N@H+]2CC[C@@H](OCCC(C)C)C2)c1 ZINC000093476243 640772567 /nfs/dbraw/zinc/77/25/67/640772567.db2.gz HOXDKLMBEYBNPU-MRXNPFEDSA-N 1 0 277.408 3.338 20 10 CGCDRO COc1ccc(N(C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000093678177 640780389 /nfs/dbraw/zinc/78/03/89/640780389.db2.gz FPNBQAQUSLWJFR-GOOCMWNKSA-N 1 0 274.408 3.052 20 10 CGCDRO COc1cccc(C[N@H+](C)[C@H]2C[C@@](C)(OC)C2(C)C)c1O ZINC000093871835 640783686 /nfs/dbraw/zinc/78/36/86/640783686.db2.gz RYPVKTRKERSEQE-WMLDXEAASA-N 1 0 293.407 3.036 20 10 CGCDRO [NH2+]=C(NCc1ccc(N2CC=CC2)cc1)Nc1ccccc1 ZINC000304397150 640862510 /nfs/dbraw/zinc/86/25/10/640862510.db2.gz VQZSFIOFVZQHFW-UHFFFAOYSA-N 1 0 292.386 3.199 20 10 CGCDRO Nc1ccc(Nc2ccccc2O[C@@H]2CCC[NH2+]C2)cc1 ZINC001160232904 806239744 /nfs/dbraw/zinc/23/97/44/806239744.db2.gz JBIACPPGZMAWER-OAHLLOKOSA-N 1 0 283.375 3.143 20 10 CGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC001254721180 806487221 /nfs/dbraw/zinc/48/72/21/806487221.db2.gz LMQIAKPZHJPHBA-XQLPTFJDSA-N 1 0 289.419 3.390 20 10 CGCDRO C[C@H](Cc1ccco1)[NH2+]Cc1cc(Cl)ccc1O ZINC000036993984 798854573 /nfs/dbraw/zinc/85/45/73/798854573.db2.gz PJTSPCNEYWZUOC-SNVBAGLBSA-N 1 0 265.740 3.359 20 10 CGCDRO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(OC)c1O ZINC000037032060 798856628 /nfs/dbraw/zinc/85/66/28/798856628.db2.gz CQVSHYGNGZIKMJ-OCCSQVGLSA-N 1 0 263.381 3.459 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+](C(C)C)C2CCOCC2)c1 ZINC000093604995 798966561 /nfs/dbraw/zinc/96/65/61/798966561.db2.gz JAQVQIPWFOXONA-UHFFFAOYSA-N 1 0 263.381 3.090 20 10 CGCDRO CCOc1cccc(C[N@H+](C)CC2CCCC2)c1O ZINC000156023905 799065502 /nfs/dbraw/zinc/06/55/02/799065502.db2.gz MAEXRMREEQDSJE-UHFFFAOYSA-N 1 0 263.381 3.413 20 10 CGCDRO C[C@@H]1C[C@H](C)C[N@H+]1Cc1cc(Br)ccc1O ZINC000161294630 799079467 /nfs/dbraw/zinc/07/94/67/799079467.db2.gz GGCFNNMQLJZFCB-VHSXEESVSA-N 1 0 284.197 3.385 20 10 CGCDRO Cc1csc(C[NH2+]Cc2ccc(N(C)C)cc2)c1 ZINC000379257780 799349889 /nfs/dbraw/zinc/34/98/89/799349889.db2.gz GAQAKICLECZZTR-UHFFFAOYSA-N 1 0 260.406 3.412 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCCN3C)[C@@H]1C ZINC000385727152 799427928 /nfs/dbraw/zinc/42/79/28/799427928.db2.gz XXVOYMXSZRUUAA-IOASZLSFSA-N 1 0 258.409 3.203 20 10 CGCDRO CC(C)[C@@H](C[NH2+][C@H]1CCc2cccc(O)c21)N1CCCC1 ZINC000386652044 799438443 /nfs/dbraw/zinc/43/84/43/799438443.db2.gz YOEDNWRGCCQHDC-JKSUJKDBSA-N 1 0 288.435 3.090 20 10 CGCDRO CO[C@@H]([C@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1)C1CC1 ZINC000388293699 799451330 /nfs/dbraw/zinc/45/13/30/799451330.db2.gz YEKGTZKZCYGPTA-DCGLDWPTSA-N 1 0 276.424 3.217 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)[C@H]1CCCOC1 ZINC000388859461 799456939 /nfs/dbraw/zinc/45/69/39/799456939.db2.gz JWGURTPUYZZSBX-LZWOXQAQSA-N 1 0 276.424 3.218 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)[C@@H]2CCCOC2)cc1 ZINC000388903847 799457663 /nfs/dbraw/zinc/45/76/63/799457663.db2.gz AZYHFYPPOJVUKI-NVXWUHKLSA-N 1 0 290.451 3.438 20 10 CGCDRO C[C@H]([NH2+]CCN1CC=CCC1)c1ccc2ccccc2c1O ZINC000392290763 799480371 /nfs/dbraw/zinc/48/03/71/799480371.db2.gz KMJPICFLEDGQDW-HNNXBMFYSA-N 1 0 296.414 3.458 20 10 CGCDRO C[C@@H]([NH2+]CC1(N(C)C)CC1)c1ccc2ccccc2c1O ZINC000397869726 799522199 /nfs/dbraw/zinc/52/21/99/799522199.db2.gz IWKOOXCGHDWTMA-CYBMUJFWSA-N 1 0 284.403 3.290 20 10 CGCDRO CC(C)[C@](C)(CO)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000398569138 799532210 /nfs/dbraw/zinc/53/22/10/799532210.db2.gz KZSFHQZDXXHKER-SFHVURJKSA-N 1 0 290.451 3.174 20 10 CGCDRO Cc1ccc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)nc1 ZINC000400929155 799551847 /nfs/dbraw/zinc/55/18/47/799551847.db2.gz NFHDHGNMZMLNNG-CQSZACIVSA-N 1 0 269.392 3.307 20 10 CGCDRO CC[C@@H]1C[N@H+](Cc2cc(C)ccc2O)[C@H](CC)CO1 ZINC000403805128 799572617 /nfs/dbraw/zinc/57/26/17/799572617.db2.gz IIKNRKXJQFEAGI-HUUCEWRRSA-N 1 0 263.381 3.090 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC=C(Cl)Cl)c1 ZINC000407052682 799588209 /nfs/dbraw/zinc/58/82/09/799588209.db2.gz KCNVXFUMVPTPLY-QMMMGPOBSA-N 1 0 276.163 3.370 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@H]1C)c1ccccc1O ZINC000686510287 799734453 /nfs/dbraw/zinc/73/44/53/799734453.db2.gz AKUSOYARYZYINV-OSFYFWSMSA-N 1 0 263.381 3.246 20 10 CGCDRO CC(C)(C)N1CC[C@@H]1C[NH2+]Cc1c(O)cccc1Cl ZINC000690344653 799775879 /nfs/dbraw/zinc/77/58/79/799775879.db2.gz WQIKYTQTPVCTKI-LLVKDONJSA-N 1 0 282.815 3.008 20 10 CGCDRO CC(C)CC[NH2+]Cc1ccc(Br)cc1O ZINC000691395199 799783840 /nfs/dbraw/zinc/78/38/40/799783840.db2.gz KSFRCBQYLCEVQA-UHFFFAOYSA-N 1 0 272.186 3.290 20 10 CGCDRO CCc1cccc(C[NH2+]CCOC2CCCCC2)c1O ZINC000691464632 799784033 /nfs/dbraw/zinc/78/40/33/799784033.db2.gz JKSBXFQQVMFAPH-UHFFFAOYSA-N 1 0 277.408 3.394 20 10 CGCDRO CCOc1cccc(C[NH2+][C@](C)(CC)C2CC2)c1O ZINC000691605832 799786791 /nfs/dbraw/zinc/78/67/91/799786791.db2.gz MFPRIUSNHBVOGT-MRXNPFEDSA-N 1 0 263.381 3.459 20 10 CGCDRO C[C@@H]([NH2+]CC1SCCS1)c1ccc(N(C)C)cc1 ZINC000692852322 799801833 /nfs/dbraw/zinc/80/18/33/799801833.db2.gz GFOOUOMCVBHEJV-LLVKDONJSA-N 1 0 282.478 3.209 20 10 CGCDRO CO[C@H](C[NH2+]Cc1c(O)cccc1Cl)C1CCCC1 ZINC000692951721 799804496 /nfs/dbraw/zinc/80/44/96/799804496.db2.gz PDESUSFYQPWFDQ-OAHLLOKOSA-N 1 0 283.799 3.340 20 10 CGCDRO CO[C@@H](C[NH2+][C@H](C)c1cc(F)ccc1O)C1CCCC1 ZINC000692983255 799806233 /nfs/dbraw/zinc/80/62/33/799806233.db2.gz QPNZJCWXCSFKFM-BZNIZROVSA-N 1 0 281.371 3.387 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1C[C@@H]2[C@H](C1)C2(F)F)c1ccccc1O ZINC000693330388 799809548 /nfs/dbraw/zinc/80/95/48/799809548.db2.gz BDQJZOJQGNHYGB-DJIHRAIXSA-N 1 0 267.319 3.334 20 10 CGCDRO C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Br)cc1O ZINC000701044228 799883172 /nfs/dbraw/zinc/88/31/72/799883172.db2.gz PEGAOQBSYIFQHI-CABZTGNLSA-N 1 0 284.197 3.433 20 10 CGCDRO CCC[C@H](C[NH2+]Cc1ccc(N(C)C)cc1)OCC ZINC000705310812 799946997 /nfs/dbraw/zinc/94/69/97/799946997.db2.gz BBMWTGXKGFYRBH-MRXNPFEDSA-N 1 0 264.413 3.047 20 10 CGCDRO Oc1cccc(Br)c1C[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000706854248 799967569 /nfs/dbraw/zinc/96/75/69/799967569.db2.gz XNIWBIRFZCYLOJ-GMTAPVOTSA-N 1 0 296.208 3.433 20 10 CGCDRO CC(C)C1([NH2+]Cc2c(O)cccc2Br)CC1 ZINC000706835653 799967838 /nfs/dbraw/zinc/96/78/38/799967838.db2.gz HMVBFRWUBGHDLD-UHFFFAOYSA-N 1 0 284.197 3.433 20 10 CGCDRO CCOc1cccc(C[NH2+][C@H]2CCCC23CC3)c1O ZINC000706917949 799969266 /nfs/dbraw/zinc/96/92/66/799969266.db2.gz WOJVTZPZUCWMJQ-AWEZNQCLSA-N 1 0 261.365 3.213 20 10 CGCDRO Oc1cccc(Br)c1C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000707138890 799973605 /nfs/dbraw/zinc/97/36/05/799973605.db2.gz IOGUODLZSGAAQC-PHIMTYICSA-N 1 0 296.208 3.387 20 10 CGCDRO Cc1cccc(C[N@@H+]2CC[C@](C)(C(F)(F)F)C2)c1O ZINC000708598797 799992167 /nfs/dbraw/zinc/99/21/67/799992167.db2.gz ADPFYQBGNLGAIE-ZDUSSCGKSA-N 1 0 273.298 3.475 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@](C)(C(F)(F)F)C2)c1 ZINC000708617895 799992511 /nfs/dbraw/zinc/99/25/11/799992511.db2.gz IVWRQGJSDLIKTC-ZDUSSCGKSA-N 1 0 289.297 3.175 20 10 CGCDRO CCc1cccc(C[NH+]2Cc3ccccc3C2)c1O ZINC000709297737 800006440 /nfs/dbraw/zinc/00/64/40/800006440.db2.gz ISGBPYNPKJZEGF-UHFFFAOYSA-N 1 0 253.345 3.470 20 10 CGCDRO COCC1(C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3C)CC1 ZINC000709517617 800009312 /nfs/dbraw/zinc/00/93/12/800009312.db2.gz UZSXKOFYIREBMK-CHWSQXEVSA-N 1 0 275.392 3.265 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]C[C@@H]2CC(C)(C)OC2(C)C)c1 ZINC000709663701 800011858 /nfs/dbraw/zinc/01/18/58/800011858.db2.gz MFYCUYKSSUPHLD-AWEZNQCLSA-N 1 0 277.408 3.384 20 10 CGCDRO COc1ccc(C[NH2+]C[C@@H]2CCC(C)(C)CO2)cc1C ZINC000711355864 800052631 /nfs/dbraw/zinc/05/26/31/800052631.db2.gz SFPYKGIXPBQPJC-HNNXBMFYSA-N 1 0 277.408 3.298 20 10 CGCDRO c1cc(N2CCCCC2)ccc1C[NH2+][C@H]1CC12CC2 ZINC000715241924 800132132 /nfs/dbraw/zinc/13/21/32/800132132.db2.gz ZLDJQGDXEUYCRD-INIZCTEOSA-N 1 0 256.393 3.319 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCc2cccc(O)c21)c1ccns1 ZINC000715951538 800155984 /nfs/dbraw/zinc/15/59/84/800155984.db2.gz DVXQAAIGUVEMMY-ONGXEEELSA-N 1 0 260.362 3.187 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](C)c2ccns2)cc1C ZINC000715966383 800156280 /nfs/dbraw/zinc/15/62/80/800156280.db2.gz OKCBORHFQWZDAW-NSHDSACASA-N 1 0 262.378 3.311 20 10 CGCDRO C[C@@H]([NH2+]CC[C@H]1CC(C)(C)CO1)c1ccccc1O ZINC000717333552 800200357 /nfs/dbraw/zinc/20/03/57/800200357.db2.gz WMODQVBOXPNCAY-OLZOCXBDSA-N 1 0 263.381 3.248 20 10 CGCDRO C[C@H]([NH2+]CC1(C)CC(F)(F)C1)c1ccccc1O ZINC000720949309 800273719 /nfs/dbraw/zinc/27/37/19/800273719.db2.gz MAPCVEIRNMCBDX-JTQLQIEISA-N 1 0 255.308 3.478 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCc2cccc(O)c21)[C@H]1CCCOC1 ZINC000723957317 800345025 /nfs/dbraw/zinc/34/50/25/800345025.db2.gz UVOIJFPBVZMNPJ-KKUMJFAQSA-N 1 0 275.392 3.174 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H](CC)[C@@H]2CCCOC2)c1O ZINC000723958164 800346558 /nfs/dbraw/zinc/34/65/58/800346558.db2.gz DNVZXTRLQUUVEK-CVEARBPZSA-N 1 0 277.408 3.249 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@H]1CCCOC1 ZINC000723990753 800349427 /nfs/dbraw/zinc/34/94/27/800349427.db2.gz TUUVKNVUMJGKOD-DOTOQJQBSA-N 1 0 276.424 3.047 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1O ZINC000724300722 800358285 /nfs/dbraw/zinc/35/82/85/800358285.db2.gz LCQDOUXKQSAOHN-RFQIPJPRSA-N 1 0 263.381 3.246 20 10 CGCDRO CC[C@@H](C[C@@](C)(O)CC)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000924573242 800626086 /nfs/dbraw/zinc/62/60/86/800626086.db2.gz GQWQJNNFZFXOSQ-RDJZCZTQSA-N 1 0 278.440 3.172 20 10 CGCDRO Cc1cc(N(CCC[NH3+])C(C)C)ccc1OC(F)(F)F ZINC001164126637 806897822 /nfs/dbraw/zinc/89/78/22/806897822.db2.gz BNOMNQWQFHMKJB-UHFFFAOYSA-N 1 0 290.329 3.457 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@@H](C1CC1)N(C)C ZINC001116565884 802379512 /nfs/dbraw/zinc/37/95/12/802379512.db2.gz ZKVNCFGOPGZKED-SNPRPXQTSA-N 1 0 288.435 3.179 20 10 CGCDRO COc1ccc(C[NH2+]C2CC3(CC3(F)F)C2)cc1C ZINC001118565792 802585113 /nfs/dbraw/zinc/58/51/13/802585113.db2.gz UVWZPIIFUKGERB-UHFFFAOYSA-N 1 0 267.319 3.281 20 10 CGCDRO c1cc(N2CCCC2)ccc1C[NH2+][C@H]1[C@@H]2CCC[C@@H]21 ZINC001118628984 802590852 /nfs/dbraw/zinc/59/08/52/802590852.db2.gz PZNDWDWDBIJJNC-FVQHAEBGSA-N 1 0 256.393 3.175 20 10 CGCDRO COc1ccc(C[N@@H+]2CCC3(CCCC3)C2)c(O)c1OC ZINC001119936142 802709106 /nfs/dbraw/zinc/70/91/06/802709106.db2.gz DNIVDVAPVCCWGE-UHFFFAOYSA-N 1 0 291.391 3.176 20 10 CGCDRO Cc1ccc(C[NH+]2CCC(Nc3ccccn3)CC2)c(O)c1 ZINC001120065275 802732354 /nfs/dbraw/zinc/73/23/54/802732354.db2.gz OFWQVSPFNMHODY-UHFFFAOYSA-N 1 0 297.402 3.172 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1COC[C@@H]1C1CC1 ZINC001120258015 802736800 /nfs/dbraw/zinc/73/68/00/802736800.db2.gz CMCRANSLFHSPBI-REBRKWNGSA-N 1 0 287.403 3.264 20 10 CGCDRO Cc1cc(C[NH+]2CC(C3COC3)C2)c(C)n1-c1ccccc1 ZINC001137854211 803783626 /nfs/dbraw/zinc/78/36/26/803783626.db2.gz MZZXJKWOAFAQFE-UHFFFAOYSA-N 1 0 296.414 3.172 20 10 CGCDRO Cc1cc(C[NH+]2CCC(CO)CC2)c(C)n1-c1ccccc1 ZINC001137856343 803785686 /nfs/dbraw/zinc/78/56/86/803785686.db2.gz ZYISYQUFELEQMX-UHFFFAOYSA-N 1 0 298.430 3.298 20 10 CGCDRO Oc1cccc2c1C[N@H+](Cc1ccc3ncccc3c1)CC2 ZINC001138112308 803856572 /nfs/dbraw/zinc/85/65/72/803856572.db2.gz BKXKVWWKJXEYAC-UHFFFAOYSA-N 1 0 290.366 3.499 20 10 CGCDRO Cc1c(C[N@@H+]2CC[C@@](C)(O)[C@H](C)C2)c2ccccc2n1C ZINC001138252471 803879373 /nfs/dbraw/zinc/87/93/73/803879373.db2.gz IBGQEUQJNHGZJC-FZKQIMNGSA-N 1 0 286.419 3.080 20 10 CGCDRO CCCC[NH+]1CCN(Cc2c(C)n(C)c3ccccc32)CC1 ZINC001138256830 803881131 /nfs/dbraw/zinc/88/11/31/803881131.db2.gz MANDCNITORAGAO-UHFFFAOYSA-N 1 0 299.462 3.404 20 10 CGCDRO Cc1c(CN2CC[NH+](CC(C)C)CC2)c2ccccc2n1C ZINC001138254121 803883016 /nfs/dbraw/zinc/88/30/16/803883016.db2.gz RLWCUILFEZIIMU-UHFFFAOYSA-N 1 0 299.462 3.260 20 10 CGCDRO Cc1c(C[N@@H+]2C[C@@H]3CCCC(=O)[C@H]3C2)c2ccccc2n1C ZINC001138260627 803885574 /nfs/dbraw/zinc/88/55/74/803885574.db2.gz NCJHGNQWZFLGSW-YOEHRIQHSA-N 1 0 296.414 3.288 20 10 CGCDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc2c(c1)CCCN2C ZINC001138354007 803901377 /nfs/dbraw/zinc/90/13/77/803901377.db2.gz QMNQBGXJKSVWHF-CQSZACIVSA-N 1 0 258.409 3.443 20 10 CGCDRO Nc1ccc(C[NH2+][C@@H]2CCc3cc(F)cc(F)c3C2)cc1 ZINC001246172229 804188267 /nfs/dbraw/zinc/18/82/67/804188267.db2.gz PVIVNJFQZADIIG-OAHLLOKOSA-N 1 0 288.341 3.194 20 10 CGCDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC001140055227 804363141 /nfs/dbraw/zinc/36/31/41/804363141.db2.gz OGLQNDYVPGUQGN-CYBMUJFWSA-N 1 0 286.350 3.306 20 10 CGCDRO Oc1cccc2c1C[N@H+](Cc1cccc3cnccc31)CC2 ZINC001140144661 804389986 /nfs/dbraw/zinc/38/99/86/804389986.db2.gz IRDVVPUPZXRDCR-UHFFFAOYSA-N 1 0 290.366 3.499 20 10 CGCDRO Cc1ccc(C)c(C[NH+]2CC(Oc3ccccc3)C2)c1O ZINC001140179842 804396748 /nfs/dbraw/zinc/39/67/48/804396748.db2.gz QBRNAFCPVYZWBH-UHFFFAOYSA-N 1 0 283.371 3.272 20 10 CGCDRO C[C@H]1CC[N@H+](Cc2c(O)cccc2Cl)CC[C@@]1(C)O ZINC001140337725 804418207 /nfs/dbraw/zinc/41/82/07/804418207.db2.gz BCSPTPFDRCALOL-XHDPSFHLSA-N 1 0 283.799 3.029 20 10 CGCDRO Oc1ccc2c(c1)CC[N@@H+](Cc1ccc(Cl)cc1O)C2 ZINC001140463266 804440987 /nfs/dbraw/zinc/44/09/87/804440987.db2.gz YJRZBCUKOPZSQJ-UHFFFAOYSA-N 1 0 289.762 3.310 20 10 CGCDRO Oc1cc(Cl)ccc1C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC001140461887 804442212 /nfs/dbraw/zinc/44/22/12/804442212.db2.gz WXPFPZJRJJYXQQ-QWRGUYRKSA-N 1 0 251.757 3.278 20 10 CGCDRO Oc1cc(Cl)ccc1C[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC001140467213 804443249 /nfs/dbraw/zinc/44/32/49/804443249.db2.gz PWTJWBADAZRFSV-ZDUSSCGKSA-N 1 0 288.778 3.430 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H]2Cc2ccccn2)c1 ZINC001140620947 804476467 /nfs/dbraw/zinc/47/64/67/804476467.db2.gz JHNHEMAKXVGBEI-KRWDZBQOSA-N 1 0 282.387 3.303 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCCC(F)(F)[C@@H](F)C2)c1 ZINC001140619774 804476824 /nfs/dbraw/zinc/47/68/24/804476824.db2.gz OBPMCLOJAFOGCI-ZDUSSCGKSA-N 1 0 273.298 3.270 20 10 CGCDRO CC(C)[NH+](Cc1ccc(N2CCOCC2)cc1F)C(C)C ZINC001140662115 804485489 /nfs/dbraw/zinc/48/54/89/804485489.db2.gz FQKSNYUJKMPXOU-UHFFFAOYSA-N 1 0 294.414 3.281 20 10 CGCDRO CCC[N@H+](Cc1ccc(O)c(C)c1O)[C@H](C)CC ZINC001140741784 804502522 /nfs/dbraw/zinc/50/25/22/804502522.db2.gz BXTCGLOMRDCEDR-LLVKDONJSA-N 1 0 251.370 3.417 20 10 CGCDRO Cc1c(O)ccc(C[N@H+](C)CCc2ccccc2)c1O ZINC001140742776 804503285 /nfs/dbraw/zinc/50/32/85/804503285.db2.gz YSOOTPQBQFDSFZ-UHFFFAOYSA-N 1 0 271.360 3.081 20 10 CGCDRO Cc1c(O)ccc(C[N@H+]2Cc3ccccc3C[C@H]2C)c1O ZINC001140747756 804504062 /nfs/dbraw/zinc/50/40/62/804504062.db2.gz LLYDZUFCLKOZJB-GFCCVEGCSA-N 1 0 283.371 3.353 20 10 CGCDRO Cc1c(O)ccc(C[N@@H+]2CCc3cc(F)ccc3C2)c1O ZINC001140747482 804504110 /nfs/dbraw/zinc/50/41/10/804504110.db2.gz BJHNWYJZDQDGKQ-UHFFFAOYSA-N 1 0 287.334 3.104 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCC[C@H]2C(=O)OC(C)(C)C)c(O)c1 ZINC001140949484 804555499 /nfs/dbraw/zinc/55/54/99/804555499.db2.gz BTDRPEMVHDLIRY-AWEZNQCLSA-N 1 0 291.391 3.007 20 10 CGCDRO Cc1ccc(C[N@@H+]2CC[C@@](CF)(C(F)(F)F)C2)c(O)c1 ZINC001140948137 804555760 /nfs/dbraw/zinc/55/57/60/804555760.db2.gz UYJFCNIVXNTZKZ-ZDUSSCGKSA-N 1 0 291.288 3.425 20 10 CGCDRO Cc1ccc(C[N@H+](C)CCC(=O)c2ccccc2)c(O)c1 ZINC001140950752 804558136 /nfs/dbraw/zinc/55/81/36/804558136.db2.gz GULIMRFPKXOAQO-UHFFFAOYSA-N 1 0 283.371 3.405 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CC[C@H]3CCC[C@H]3C2)c(OC)c1 ZINC001141026661 804573024 /nfs/dbraw/zinc/57/30/24/804573024.db2.gz YOFMRVQRAZBVIE-OLZOCXBDSA-N 1 0 291.391 3.031 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CCC23CCCCC3)c(OC)c1 ZINC001141026598 804573300 /nfs/dbraw/zinc/57/33/00/804573300.db2.gz WMPZLEYUPTZTLQ-UHFFFAOYSA-N 1 0 291.391 3.318 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CCCCC[C@H]2C)c(OC)c1 ZINC001141026846 804573573 /nfs/dbraw/zinc/57/35/73/804573573.db2.gz FTZXCRLVTNELQE-GFCCVEGCSA-N 1 0 279.380 3.174 20 10 CGCDRO COC(C)(C)[C@H]1CCC[N@@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001142524864 804732275 /nfs/dbraw/zinc/73/22/75/804732275.db2.gz NPGWFCMZQUDYSX-CQSZACIVSA-N 1 0 285.334 3.060 20 10 CGCDRO CC(C)(C)c1cccc(C[NH+]2CC3(C2)CCCOC3)c1O ZINC001143103502 804801287 /nfs/dbraw/zinc/80/12/87/804801287.db2.gz DTEFBZMBUFRXOU-UHFFFAOYSA-N 1 0 289.419 3.302 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@H](C)C[NH3+])n2)cc1 ZINC001248212557 804898616 /nfs/dbraw/zinc/89/86/16/804898616.db2.gz VLCURXAWBWOLOY-LLVKDONJSA-N 1 0 296.374 3.206 20 10 CGCDRO Cc1cc(C[NH+]2CCCCC2)c(O)cc1Br ZINC001250116287 805425561 /nfs/dbraw/zinc/42/55/61/805425561.db2.gz BMUXFZSUXUIBMJ-UHFFFAOYSA-N 1 0 284.197 3.449 20 10 CGCDRO CCN(Cc1ccccc1O)c1ccc(C)c(C)[nH+]1 ZINC001154890437 805506142 /nfs/dbraw/zinc/50/61/42/805506142.db2.gz ZXCNVKAXFYIJAZ-UHFFFAOYSA-N 1 0 256.349 3.431 20 10 CGCDRO CCC[C@@H](CC)[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC001257257562 807073332 /nfs/dbraw/zinc/07/33/32/807073332.db2.gz SQWCCIYLOOHIGC-OAHLLOKOSA-N 1 0 276.424 3.396 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)C2CCC3(COC3)CC2)cc1 ZINC001257913900 807250963 /nfs/dbraw/zinc/25/09/63/807250963.db2.gz LTJKVVSCWWNMDN-UHFFFAOYSA-N 1 0 288.435 3.144 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(-n2ccc([C@H](C)[NH3+])n2)cc1 ZINC001169231910 807610121 /nfs/dbraw/zinc/61/01/21/807610121.db2.gz WHAUPVUYTFRYBZ-AWEZNQCLSA-N 1 0 280.375 3.300 20 10 CGCDRO COc1ccc(N2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)cc1 ZINC001258817586 807634440 /nfs/dbraw/zinc/63/44/40/807634440.db2.gz XCZRANHXWCRDOZ-NVXWUHKLSA-N 1 0 288.435 3.396 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC001261201545 807714122 /nfs/dbraw/zinc/71/41/22/807714122.db2.gz GLFQIKOLHMHYAD-JMSVASOKSA-N 1 0 297.402 3.119 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC001261201547 807714565 /nfs/dbraw/zinc/71/45/65/807714565.db2.gz GLFQIKOLHMHYAD-TYNCELHUSA-N 1 0 297.402 3.119 20 10 CGCDRO Cc1cccc(C[NH2+]C2CC(C)(C)N(O)C(C)(C)C2)c1O ZINC001169982601 807732924 /nfs/dbraw/zinc/73/29/24/807732924.db2.gz OTXDWVJSRUWBNO-UHFFFAOYSA-N 1 0 292.423 3.201 20 10 CGCDRO CCOc1ccc(N2CC[NH+]([C@H]3CC[C@@H](C)C3)CC2)cc1 ZINC001170157622 807780186 /nfs/dbraw/zinc/78/01/86/807780186.db2.gz LCKKFZXFRQPFKF-WBVHZDCISA-N 1 0 288.435 3.396 20 10 CGCDRO Cc1ccc(NCc2cc3ccccc3cc2O)[nH+]c1N ZINC001171402493 808047063 /nfs/dbraw/zinc/04/70/63/808047063.db2.gz OCSUWERQFBAOGV-UHFFFAOYSA-N 1 0 279.343 3.443 20 10 CGCDRO C[C@H]([NH2+][C@H]1Cc2cccc(F)c2C1)c1ccccc1O ZINC001171777133 808136756 /nfs/dbraw/zinc/13/67/56/808136756.db2.gz IYFLSIFRWZBTJR-AAEUAGOBSA-N 1 0 271.335 3.349 20 10 CGCDRO Cc1cc(Nc2ccc(C(F)(F)F)cc2O)cc[nH+]1 ZINC001174656559 809120205 /nfs/dbraw/zinc/12/02/05/809120205.db2.gz FLKTYYKLMWISGW-UHFFFAOYSA-N 1 0 268.238 3.280 20 10 CGCDRO CN(c1ccc(N)cc1)c1ccc(C[NH+](C)C)cc1 ZINC001176291208 809663385 /nfs/dbraw/zinc/66/33/85/809663385.db2.gz BIILBLAQJZOEIQ-UHFFFAOYSA-N 1 0 255.365 3.098 20 10 CGCDRO Cc1cc(C[N@@H+]2CCCC[C@@]23CCOC3)ccc1N(C)C ZINC001176977699 809771822 /nfs/dbraw/zinc/77/18/22/809771822.db2.gz NLZNOXUROISGKY-SFHVURJKSA-N 1 0 288.435 3.206 20 10 CGCDRO CCCOc1ccc(C[NH2+]CC[C@@H](O)CC)cc1C ZINC001177999723 809839026 /nfs/dbraw/zinc/83/90/26/809839026.db2.gz NBFDMXXYEMVDMZ-HNNXBMFYSA-N 1 0 265.397 3.034 20 10 CGCDRO Cc1cc(O)c(C[N@H+](C)C[C@@H]2CCCC[C@H]2O)c(Cl)c1 ZINC001180332817 809994375 /nfs/dbraw/zinc/99/43/75/809994375.db2.gz UPZDKKZEXCVMGM-SWLSCSKDSA-N 1 0 297.826 3.337 20 10 CGCDRO OCc1ccccc1C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001199732054 811592501 /nfs/dbraw/zinc/59/25/01/811592501.db2.gz CEZPMCYRCFYKMV-UHFFFAOYSA-N 1 0 296.414 3.069 20 10 CGCDRO c1cc2c(cc1C[NH2+]CCOC1CCCCC1)CCCO2 ZINC001200172482 811641641 /nfs/dbraw/zinc/64/16/41/811641641.db2.gz LGQWNUWZJJMTLR-UHFFFAOYSA-N 1 0 289.419 3.451 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@](C)(CO)CCC)cc1C ZINC001200425045 811688815 /nfs/dbraw/zinc/68/88/15/811688815.db2.gz UJGSVCHYLRNEAI-KRWDZBQOSA-N 1 0 279.424 3.425 20 10 CGCDRO CCOCc1cc(C[NH2+][C@@H]2C=CCCC2)ccc1OC ZINC001201178986 811792883 /nfs/dbraw/zinc/79/28/83/811792883.db2.gz HAARCVZTJMRQJE-MRXNPFEDSA-N 1 0 275.392 3.430 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@@](C)(CC)CCO)cc1C ZINC001201357852 811819435 /nfs/dbraw/zinc/81/94/35/811819435.db2.gz VEZCHNPWTWTDJU-KRWDZBQOSA-N 1 0 279.424 3.425 20 10 CGCDRO Oc1ccccc1C[NH+]1CCC2(Cc3ccccc3O2)CC1 ZINC001203558721 812392784 /nfs/dbraw/zinc/39/27/84/812392784.db2.gz YHPKFZADNHVKAK-UHFFFAOYSA-N 1 0 295.382 3.362 20 10 CGCDRO COc1cccc(C[N@H+](C)[C@H]2CC[C@H](C)CC2)c1O ZINC001203601739 812404997 /nfs/dbraw/zinc/40/49/97/812404997.db2.gz IYVZLLZXZBWMNV-MQMHXKEQSA-N 1 0 263.381 3.411 20 10 CGCDRO COc1ccc(C[N@@H+]2CCc3cc(C)ccc3C2)c(O)c1 ZINC001203635083 812412285 /nfs/dbraw/zinc/41/22/85/812412285.db2.gz KDFRPZAGXCNEPM-UHFFFAOYSA-N 1 0 283.371 3.268 20 10 CGCDRO COc1ccc(C[N@@H+]2CCC[C@@H]2c2ccncc2)c(O)c1 ZINC001203630368 812412519 /nfs/dbraw/zinc/41/25/19/812412519.db2.gz QYLGQXPEPHJSRE-MRXNPFEDSA-N 1 0 284.359 3.133 20 10 CGCDRO C[N@H+](C1CC1)C1CCN(Cc2cc(Cl)ccc2O)CC1 ZINC001203664468 812422985 /nfs/dbraw/zinc/42/29/85/812422985.db2.gz GESLYHSHSXZCQE-UHFFFAOYSA-N 1 0 294.826 3.104 20 10 CGCDRO C[N@H+](CCc1cccc(Cl)c1)Cc1ccc(O)c(O)c1 ZINC001203882529 812479424 /nfs/dbraw/zinc/47/94/24/812479424.db2.gz KNVBTYDJMRWYST-UHFFFAOYSA-N 1 0 291.778 3.426 20 10 CGCDRO COC(C)(C)[C@@H]1CCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC001203933661 812496138 /nfs/dbraw/zinc/49/61/38/812496138.db2.gz DNTRJBKUUZDEOQ-INIZCTEOSA-N 1 0 276.424 3.142 20 10 CGCDRO COc1ccc(CC[N@H+](C)Cc2ccc(N(C)C)cc2)cc1 ZINC001203934101 812496657 /nfs/dbraw/zinc/49/66/57/812496657.db2.gz MJBGAWRZYWIONM-UHFFFAOYSA-N 1 0 298.430 3.436 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+]2CC[C@@H](O)[C@@H](C)CC2)cc1 ZINC001203937187 812497275 /nfs/dbraw/zinc/49/72/75/812497275.db2.gz QZPHEHYMHMYQCE-MAUKXSAKSA-N 1 0 290.451 3.126 20 10 CGCDRO Cc1ccccc1O[C@H]1CC[N@H+](Cc2ccc(O)cc2O)C1 ZINC001204274537 812591882 /nfs/dbraw/zinc/59/18/82/812591882.db2.gz DHYDBGXATPLTHW-INIZCTEOSA-N 1 0 299.370 3.060 20 10 CGCDRO c1cc(N2CCCC2)ccc1C[N@@H+]1CC[C@]2(CCCO2)C1 ZINC001204324957 812613245 /nfs/dbraw/zinc/61/32/45/812613245.db2.gz PTCCLTUTSYMFNX-GOSISDBHSA-N 1 0 286.419 3.042 20 10 CGCDRO COc1cc(C[N@@H+]2CCC[C@H]3CCCC[C@H]32)cc(O)c1O ZINC001204345130 812616176 /nfs/dbraw/zinc/61/61/76/812616176.db2.gz MIFUPRUBNCFDAQ-ZIAGYGMSSA-N 1 0 291.391 3.261 20 10 CGCDRO CC(C)(C)c1cc(O)c(CN2CCC[NH2+]CC2)cc1Cl ZINC001204692141 812709925 /nfs/dbraw/zinc/70/99/25/812709925.db2.gz UBCAGLIHFIUFFI-UHFFFAOYSA-N 1 0 296.842 3.138 20 10 CGCDRO CCOC(=O)CN(Cc1cc(C(C)C)ccc1O)C(C)C ZINC001204720826 812716561 /nfs/dbraw/zinc/71/65/61/812716561.db2.gz CPXJJCQGKYZTEP-UHFFFAOYSA-N 1 0 293.407 3.289 20 10 CGCDRO CSC1(C[NH2+]Cc2ccc(Cl)cc2O)CCC1 ZINC001205542353 812998242 /nfs/dbraw/zinc/99/82/42/812998242.db2.gz ZZRXXWJXHIKGNP-UHFFFAOYSA-N 1 0 271.813 3.421 20 10 CGCDRO COc1cc(C)c(C[NH2+]C[C@@H]2C[C@H]2C(C)C)c(O)c1 ZINC001205830739 813102003 /nfs/dbraw/zinc/10/20/03/813102003.db2.gz DWGUMXLXJLZBGY-JSGCOSHPSA-N 1 0 263.381 3.091 20 10 CGCDRO COC[C@@H](CC(C)(C)C)[NH2+]Cc1ccc(C)cc1O ZINC001206463814 813326873 /nfs/dbraw/zinc/32/68/73/813326873.db2.gz NDHKNCMOCYMXRD-CQSZACIVSA-N 1 0 265.397 3.241 20 10 CGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CC[C@@H](CF)C2)c1 ZINC001207301983 813537766 /nfs/dbraw/zinc/53/77/66/813537766.db2.gz MPGXLGUZTGGYAD-LBPRGKRZSA-N 1 0 251.345 3.307 20 10 CGCDRO COc1cc(C)c(C[NH2+]Cc2nc3ccccc3o2)c(O)c1 ZINC001207612526 813613344 /nfs/dbraw/zinc/61/33/44/813613344.db2.gz NECNYQVSVDPJKL-UHFFFAOYSA-N 1 0 298.342 3.140 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)C[C@H]2C[C@H]3C=C[C@@H]2C3)cc1 ZINC001207632939 813621799 /nfs/dbraw/zinc/62/17/99/813621799.db2.gz WDCXQBUZUNMACW-GVDBMIGSSA-N 1 0 270.420 3.397 20 10 CGCDRO Cc1cccnc1[C@H](C)[NH2+]Cc1cc(F)ccc1O ZINC001207783778 813649980 /nfs/dbraw/zinc/64/99/80/813649980.db2.gz PEQPWGABBDXRPA-NSHDSACASA-N 1 0 260.312 3.086 20 10 CGCDRO CC[N@H+](Cc1cc2c(cn1)OCCC2)Cc1ccccc1O ZINC001209511025 814068781 /nfs/dbraw/zinc/06/87/81/814068781.db2.gz NHVFXKZRGDYCNA-UHFFFAOYSA-N 1 0 298.386 3.134 20 10 CGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccnc(OC)c1 ZINC001209643584 814105499 /nfs/dbraw/zinc/10/54/99/814105499.db2.gz IIBLMBRKSITCBJ-UHFFFAOYSA-N 1 0 299.418 3.178 20 10 CGCDRO C[C@]1(c2nnc(-c3ccc(-n4cccc4)cc3)o2)CCC[NH2+]1 ZINC001217727678 815950026 /nfs/dbraw/zinc/95/00/26/815950026.db2.gz JGTXGWVIJKKVMD-QGZVFWFLSA-N 1 0 294.358 3.126 20 10 CGCDRO C=C(c1ccccc1)c1ccc(N2CC[NH+](C)CC2)cc1 ZINC001242892845 823165668 /nfs/dbraw/zinc/16/56/68/823165668.db2.gz GDRHZFQOVZOKCF-UHFFFAOYSA-N 1 0 278.399 3.500 20 10 CGCDRO Cc1cc(Cl)cc(CN2CC[C@@]3(C2)CCCC[NH2+]3)c1O ZINC001222434427 816443368 /nfs/dbraw/zinc/44/33/68/816443368.db2.gz JFUPAXVCDMKMBL-MRXNPFEDSA-N 1 0 294.826 3.072 20 10 CGCDRO CN(C)c1ccc(OC2CCC([NH+](C)C)CC2)cc1 ZINC001227939234 817758904 /nfs/dbraw/zinc/75/89/04/817758904.db2.gz PLBSQEYYAYJSMY-UHFFFAOYSA-N 1 0 262.397 3.004 20 10 CGCDRO COc1cc(C[N@@H+]2CCc3ccccc3[C@@H]2C)c(O)cc1O ZINC001231634125 818144349 /nfs/dbraw/zinc/14/43/49/818144349.db2.gz INMSINCTPZRCCF-LBPRGKRZSA-N 1 0 299.370 3.226 20 10 CGCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCCC[C@H](C)C1 ZINC001231847777 818187148 /nfs/dbraw/zinc/18/71/48/818187148.db2.gz CVZWOWCXXBDPAG-AWEZNQCLSA-N 1 0 276.424 3.383 20 10 CGCDRO COc1cc(N(C)C)ccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001231854789 818188755 /nfs/dbraw/zinc/18/87/55/818188755.db2.gz LXPHDIQXCPZNAM-OKILXGFUSA-N 1 0 276.424 3.239 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@](C)(CO)CC2)cc1Cl ZINC001231867430 818191444 /nfs/dbraw/zinc/19/14/44/818191444.db2.gz KBXCXNINYOJKCN-INIZCTEOSA-N 1 0 297.826 3.339 20 10 CGCDRO COCC[N@H+](Cc1ccc2ccccc2c1O)C(C)C ZINC001231881799 818200104 /nfs/dbraw/zinc/20/01/04/818200104.db2.gz ICGOFUSOOGZURJ-UHFFFAOYSA-N 1 0 273.376 3.402 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2O)C[C@]1(C)O ZINC001231879826 818200162 /nfs/dbraw/zinc/20/01/62/818200162.db2.gz RFVNLHMQOBWDQY-ACJLOTCBSA-N 1 0 285.387 3.138 20 10 CGCDRO Oc1cccc2c1C[N@H+](Cc1nccc3ccccc31)CC2 ZINC001232252236 818293373 /nfs/dbraw/zinc/29/33/73/818293373.db2.gz NEUSJJHPAKXIAO-UHFFFAOYSA-N 1 0 290.366 3.499 20 10 CGCDRO Oc1cc(O)c(C[N@@H+]2CC[C@H](C(F)(F)F)C2)cc1Cl ZINC001232264433 818298193 /nfs/dbraw/zinc/29/81/93/818298193.db2.gz BMJCQYZGGHVMKN-QMMMGPOBSA-N 1 0 295.688 3.135 20 10 CGCDRO CC[N@H+](Cc1cc(Cl)c(OC)cc1O)C1CC1 ZINC001232264540 818298916 /nfs/dbraw/zinc/29/89/16/818298916.db2.gz IKXGLQOLOYHGAR-UHFFFAOYSA-N 1 0 255.745 3.039 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@](C)(F)CC2)c(O)c1 ZINC001232835123 818452052 /nfs/dbraw/zinc/45/20/52/818452052.db2.gz WTKABDSDJZOILH-INIZCTEOSA-N 1 0 280.387 3.172 20 10 CGCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CCC[C@](C)(O)CC2)c1 ZINC001233284056 818566653 /nfs/dbraw/zinc/56/66/53/818566653.db2.gz GMGRLIAKCKLBLK-SFHVURJKSA-N 1 0 291.435 3.427 20 10 CGCDRO C[C@H]1C[N@H+](Cc2cc(C(C)(C)C)ccc2O)CC[C@]1(C)O ZINC001233284036 818566676 /nfs/dbraw/zinc/56/66/76/818566676.db2.gz FJQKCVMACWGMII-UGSOOPFHSA-N 1 0 291.435 3.283 20 10 CGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]3C[C@@H]32)c1O ZINC001233290396 818569298 /nfs/dbraw/zinc/56/92/98/818569298.db2.gz AGNOWKUBPHLJHE-SKDRFNHKSA-N 1 0 267.756 3.039 20 10 CGCDRO COCC[N@H+](C)Cc1cccc(-c2ccccc2)c1O ZINC001234990640 818969764 /nfs/dbraw/zinc/96/97/64/818969764.db2.gz IYWUOEQVOKTFRO-UHFFFAOYSA-N 1 0 271.360 3.137 20 10 CGCDRO CN1CC[C@@H]([N@H+](C)Cc2cccc(-c3ccccc3)c2O)C1 ZINC001234996921 818972661 /nfs/dbraw/zinc/97/26/61/818972661.db2.gz PVJFHWXOMXEBJP-QGZVFWFLSA-N 1 0 296.414 3.195 20 10 CGCDRO Cc1cc(CN2CC3CC2(C[NH3+])C3)c(C)n1-c1ccccc1 ZINC001235008979 818978578 /nfs/dbraw/zinc/97/85/78/818978578.db2.gz ZCGUAROECLVJGF-UHFFFAOYSA-N 1 0 295.430 3.017 20 10 CGCDRO Cc1cc(CN(C)[C@@H]2CCC[NH2+]C2)c(C)n1-c1ccccc1 ZINC001235342262 819072682 /nfs/dbraw/zinc/07/26/82/819072682.db2.gz JHULVXXLTXIINY-LJQANCHMSA-N 1 0 297.446 3.278 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2ccc(C(C)(C)C)cc2O)CCC[C@H]1O ZINC001235676364 819137314 /nfs/dbraw/zinc/13/73/14/819137314.db2.gz RDUKAZWFBMGOSM-CZUORRHYSA-N 1 0 291.435 3.283 20 10 CGCDRO CC(C)(C)c1ccc(C[N@@H+]2CCOC3(CC3)C2)c(O)c1 ZINC001235681748 819140320 /nfs/dbraw/zinc/14/03/20/819140320.db2.gz PWMDJRSXOVANSK-UHFFFAOYSA-N 1 0 275.392 3.055 20 10 CGCDRO CN(C)c1ccc(CN2CC[NH2+]C(C)(C)C2)c2ccccc21 ZINC001235833380 819179360 /nfs/dbraw/zinc/17/93/60/819179360.db2.gz OYDAZGXLDKXKTN-UHFFFAOYSA-N 1 0 297.446 3.090 20 10 CGCDRO CCN(Cc1cccc(C(C)(C)C)c1O)[C@H]1CCC[NH2+]C1 ZINC001236008066 819272965 /nfs/dbraw/zinc/27/29/65/819272965.db2.gz QJNMTDXZBMRXQD-HNNXBMFYSA-N 1 0 290.451 3.264 20 10 CGCDRO CN(Cc1ccc2ccccc2c1O)[C@@]1(C)CCC[NH2+]C1 ZINC001236206765 819369267 /nfs/dbraw/zinc/36/92/67/819369267.db2.gz LVWZHZHGYYMRMY-SFHVURJKSA-N 1 0 284.403 3.119 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(CN2C[C@@H]3CC[C@H]2C[NH2+]3)cc1 ZINC001236424671 819471460 /nfs/dbraw/zinc/47/14/60/819471460.db2.gz MSTXTWXGGWFKDY-HKUYNNGSSA-N 1 0 295.430 3.030 20 10 CGCDRO CC(C)N(Cc1c(O)cccc1Cl)[C@@H]1CCC[NH2+]C1 ZINC001236468370 819489602 /nfs/dbraw/zinc/48/96/02/819489602.db2.gz KYIYNMWTEJUCDD-GFCCVEGCSA-N 1 0 282.815 3.008 20 10 CGCDRO CCc1ccc(C[N@@H+]2C[C@H]3CCC[C@@]3(COC)C2)c(O)c1 ZINC001236789026 819595463 /nfs/dbraw/zinc/59/54/63/819595463.db2.gz ZWCNOKCEAMYICC-AEFFLSMTSA-N 1 0 289.419 3.203 20 10 CGCDRO COc1cc(O)c(C[N@H+](C)CCC2CC2)c(Cl)c1 ZINC001236807595 819601913 /nfs/dbraw/zinc/60/19/13/819601913.db2.gz IGSSRVKMCFNIRY-UHFFFAOYSA-N 1 0 269.772 3.286 20 10 CGCDRO COc1cc(C)c(C[N@H+](C)Cc2cccs2)c(O)c1 ZINC001236814539 819605425 /nfs/dbraw/zinc/60/54/25/819605425.db2.gz UGSMJGBOKLZWDF-UHFFFAOYSA-N 1 0 277.389 3.403 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CCCC3(CCC3)C2)c(O)c1 ZINC001236816386 819605489 /nfs/dbraw/zinc/60/54/89/819605489.db2.gz UBVMCZXSGBQKPP-UHFFFAOYSA-N 1 0 275.392 3.475 20 10 CGCDRO O=C1CCC[C@H]2C[N@@H+](Cc3cc4ccccc4cc3O)C[C@H]12 ZINC001236835767 819615007 /nfs/dbraw/zinc/61/50/07/819615007.db2.gz RVFHIMUZXCIYLC-RDJZCZTQSA-N 1 0 295.382 3.346 20 10 CGCDRO CCOc1ccc(C[NH+]2C[C@H]3CCC[C@@H]3C2)c(O)c1 ZINC001237043892 819647988 /nfs/dbraw/zinc/64/79/88/819647988.db2.gz KLJAFAZNVNVISO-CHWSQXEVSA-N 1 0 261.365 3.023 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2CCOC(C)(C)C2)c(O)c1 ZINC001237045973 819649965 /nfs/dbraw/zinc/64/99/65/819649965.db2.gz NZKXBIMJLKHROV-UHFFFAOYSA-N 1 0 263.381 3.126 20 10 CGCDRO CCC[N@H+](Cc1ccc(OCC)cc1O)C1CCOCC1 ZINC001237045694 819650803 /nfs/dbraw/zinc/65/08/03/819650803.db2.gz IOPQJZXGUACQOV-UHFFFAOYSA-N 1 0 293.407 3.182 20 10 CGCDRO CC(C)c1ccc(C[NH+]2CCC3(CCO3)CC2)c(O)c1 ZINC001237049676 819652348 /nfs/dbraw/zinc/65/23/48/819652348.db2.gz RJXRZTGJKVUNHL-UHFFFAOYSA-N 1 0 275.392 3.271 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2CCCCC23COC3)c(O)c1 ZINC001237053246 819652578 /nfs/dbraw/zinc/65/25/78/819652578.db2.gz HPSHAXLSROANID-UHFFFAOYSA-N 1 0 275.392 3.271 20 10 CGCDRO CC(C)c1ccc(CN2CC[C@H]([N@@H+](C)C(C)C)C2)c(O)c1 ZINC001237055391 819654350 /nfs/dbraw/zinc/65/43/50/819654350.db2.gz OANRWTRPWZHGSW-KRWDZBQOSA-N 1 0 290.451 3.430 20 10 CGCDRO CC(C)c1ccc(C[N@H+](C)Cc2ccno2)c(O)c1 ZINC001237054815 819655002 /nfs/dbraw/zinc/65/50/02/819655002.db2.gz HJBFQYUHBZBIBD-UHFFFAOYSA-N 1 0 260.337 3.136 20 10 CGCDRO COc1cc(O)c(C[N@H+](C)C(C)C)c(Br)c1 ZINC001237064091 819656816 /nfs/dbraw/zinc/65/68/16/819656816.db2.gz WOXMWTXLDGGOHH-UHFFFAOYSA-N 1 0 288.185 3.004 20 10 CGCDRO Oc1ccc(F)c(Cl)c1C[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001237122836 819673678 /nfs/dbraw/zinc/67/36/78/819673678.db2.gz ZNSFHAZIGQEXOT-IINYFYTJSA-N 1 0 299.773 3.186 20 10 CGCDRO CC1CC[NH+](Cc2c(O)ccc(F)c2Cl)CC1 ZINC001237122812 819673793 /nfs/dbraw/zinc/67/37/93/819673793.db2.gz YYEXTEHKROSAPY-UHFFFAOYSA-N 1 0 257.736 3.417 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H]1COCc1ccccc1 ZINC001237489000 819762453 /nfs/dbraw/zinc/76/24/53/819762453.db2.gz BLFSTSUBSGZHNI-KRWDZBQOSA-N 1 0 297.398 3.492 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCc2ccc(F)cc2C1 ZINC001237488244 819762555 /nfs/dbraw/zinc/76/25/55/819762555.db2.gz SLJGKJITHIALHE-UHFFFAOYSA-N 1 0 271.335 3.398 20 10 CGCDRO Cc1cccc(O)c1C[N@H+]1CC[C@@H](Oc2ccncc2C)C1 ZINC001237490723 819763945 /nfs/dbraw/zinc/76/39/45/819763945.db2.gz AFSMKDBSWDBEFA-OAHLLOKOSA-N 1 0 298.386 3.057 20 10 CGCDRO CC[NH+](CC)C1CCN(Cc2c(C)cccc2O)CC1 ZINC001237490448 819764839 /nfs/dbraw/zinc/76/48/39/819764839.db2.gz UWRZOJLKDGMYLD-UHFFFAOYSA-N 1 0 276.424 3.007 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H]3C[C@H]32)c1O ZINC001237688889 819809331 /nfs/dbraw/zinc/80/93/31/819809331.db2.gz KCPAZVARWVRHMA-GXFFZTMASA-N 1 0 251.757 3.338 20 10 CGCDRO Cc1cc(F)cc(C[N@@H+]2CC[C@H](C(F)(F)F)C2)c1O ZINC001238063334 819921583 /nfs/dbraw/zinc/92/15/83/819921583.db2.gz VSDXGLDTJOZAND-JTQLQIEISA-N 1 0 277.261 3.224 20 10 CGCDRO Cc1cncc(CC[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3C)n1 ZINC001330325011 935285108 /nfs/dbraw/zinc/28/51/08/935285108.db2.gz ZZPJTWFFAIYQFP-IUODEOHRSA-N 1 0 297.402 3.180 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCC(F)F)c1 ZINC001339191595 936357707 /nfs/dbraw/zinc/35/77/07/936357707.db2.gz BXRTVEBWYDBIDD-VIFPVBQESA-N 1 0 259.296 3.097 20 10 CGCDRO COc1ccncc1C[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC001347669200 936891551 /nfs/dbraw/zinc/89/15/51/936891551.db2.gz UHWRDCZYUSQICI-TZMCWYRMSA-N 1 0 298.386 3.442 20 10 CGCDRO C[C@@H](C[NH2+][C@@H](C)c1ccccc1O)c1nccs1 ZINC000186738160 926929981 /nfs/dbraw/zinc/92/99/81/926929981.db2.gz AMKRKJSHYXKEJE-QWRGUYRKSA-N 1 0 262.378 3.303 20 10 CGCDRO COc1ccc(C[NH2+]C[C@H]2CCC[C@@H](C)C2)c(O)c1OC ZINC001355240173 937131836 /nfs/dbraw/zinc/13/18/36/937131836.db2.gz YTDOXWQTCYWIES-OLZOCXBDSA-N 1 0 293.407 3.325 20 10 CGCDRO Cc1cccc(OCC[N@@H+](C)Cc2ccc(N)cc2)c1 ZINC001356082828 937152792 /nfs/dbraw/zinc/15/27/92/937152792.db2.gz FFAXNBIMWYWUTM-UHFFFAOYSA-N 1 0 270.376 3.088 20 10 CGCDRO Cc1ccnc([C@@H]2CC[N@@H+](Cc3ccc(N(C)C)cc3)C2)c1 ZINC000846970636 928204971 /nfs/dbraw/zinc/20/49/71/928204971.db2.gz RHDLZHXOTIKKRE-QGZVFWFLSA-N 1 0 295.430 3.446 20 10 CGCDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000399505274 928808388 /nfs/dbraw/zinc/80/83/88/928808388.db2.gz LWXQZZWLNNMTAT-QMTHXVAHSA-N 1 0 279.355 3.354 20 10 CGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@@H]2CC2(C)C)cc1F ZINC001461185229 937566737 /nfs/dbraw/zinc/56/67/37/937566737.db2.gz IPGBLTGPMHWHAG-NSHDSACASA-N 1 0 268.351 3.167 20 10 CGCDRO C[C@H]1CC[C@H](C[NH2+]Cc2ccc(N(C)C)c(F)c2)C1 ZINC001461483367 937583124 /nfs/dbraw/zinc/58/31/24/937583124.db2.gz YMOZAIOPUMDWFU-STQMWFEESA-N 1 0 264.388 3.418 20 10 CGCDRO OCC[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)C1CCCC1 ZINC001461786709 937597391 /nfs/dbraw/zinc/59/73/91/937597391.db2.gz INXGUUXODOPBGW-QGZVFWFLSA-N 1 0 289.419 3.042 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CCC[C@](C)(OC)CC2)c(O)c1 ZINC001462201619 937625102 /nfs/dbraw/zinc/62/51/02/937625102.db2.gz PCUYUMRPZRQHIY-KRWDZBQOSA-N 1 0 293.407 3.100 20 10 CGCDRO CO[C@@H](C[NH2+]Cc1ccc(N(C)C)cc1C)CC(C)C ZINC001462356663 937635115 /nfs/dbraw/zinc/63/51/15/937635115.db2.gz LMXOTHRDKMFNNX-QGZVFWFLSA-N 1 0 278.440 3.212 20 10 CGCDRO CC(C)CC[C@@H](CO)[NH2+]Cc1cc(C(C)C)ccc1O ZINC001462446484 937641994 /nfs/dbraw/zinc/64/19/94/937641994.db2.gz ZPKQFAPDYCZFTL-INIZCTEOSA-N 1 0 279.424 3.402 20 10 CGCDRO CC1(C)CC[C@@H](C[NH2+]Cc2ccc(Cl)cc2O)OC1 ZINC001462542704 937649417 /nfs/dbraw/zinc/64/94/17/937649417.db2.gz MQXKWXHZEVJAHF-ZDUSSCGKSA-N 1 0 283.799 3.340 20 10 CGCDRO COc1cc[nH+]c(NC/C=C/c2ccc(N(C)C)cc2)c1 ZINC001308355519 933099955 /nfs/dbraw/zinc/09/99/55/933099955.db2.gz JXGRLXZKQIGXDV-SNAWJCMRSA-N 1 0 283.375 3.282 20 10 CGCDRO CC[C@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)C1CC1 ZINC001308465624 933115271 /nfs/dbraw/zinc/11/52/71/933115271.db2.gz BGIVPIHTUCKNAI-AWEZNQCLSA-N 1 0 268.351 3.309 20 10 CGCDRO CCCn1cncc1C[N@H+](CCC)Cc1ccccc1O ZINC001308617275 933143404 /nfs/dbraw/zinc/14/34/04/933143404.db2.gz NORNOYBXYZVXLZ-UHFFFAOYSA-N 1 0 287.407 3.411 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+][C@@H]1C[C@@H]2CCC[C@H]12 ZINC001308844978 933187591 /nfs/dbraw/zinc/18/75/91/933187591.db2.gz DJCLEMUFLPYQCU-TVYUQYBPSA-N 1 0 251.757 3.324 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+][C@H]2CCS[C@H]2C)c1 ZINC001308848263 933188762 /nfs/dbraw/zinc/18/87/62/933188762.db2.gz HHKQCDLGOZWUNG-FZMZJTMJSA-N 1 0 265.422 3.499 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+][C@@H]2COC[C@H]2C2CC2)c1 ZINC001308975852 933219138 /nfs/dbraw/zinc/21/91/38/933219138.db2.gz ZFPFEQKERPMIQG-JKSUJKDBSA-N 1 0 275.392 3.030 20 10 CGCDRO CCOC[C@@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001319718552 933921153 /nfs/dbraw/zinc/92/11/53/933921153.db2.gz RQFKWFWZBMDYSO-QGZVFWFLSA-N 1 0 288.435 3.145 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)CC(=O)OC(C)(C)C)c1 ZINC001320252423 934021261 /nfs/dbraw/zinc/02/12/61/934021261.db2.gz FOORUHAIHROKRV-STQMWFEESA-N 1 0 293.407 3.472 20 10 CGCDRO CC[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)[C@H]1C ZINC001473403260 937805639 /nfs/dbraw/zinc/80/56/39/937805639.db2.gz TUCYKGKLTLRFMB-RDJZCZTQSA-N 1 0 288.435 3.144 20 10 CGCDRO N[C@@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC001326076874 934949156 /nfs/dbraw/zinc/94/91/56/934949156.db2.gz RKRRVIHHCMPVHE-IBGZPJMESA-N 1 0 295.430 3.076 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H](CO)CC1CCC1 ZINC001327724409 935081002 /nfs/dbraw/zinc/08/10/02/935081002.db2.gz XAXPPRFWRADODP-SNPRPXQTSA-N 1 0 289.419 3.390 20 10 CGCDRO C[C@@H]([NH2+]CCCC[NH3+])c1cc(Cl)c(Cl)cc1[O-] ZINC001329022033 935177271 /nfs/dbraw/zinc/17/72/71/935177271.db2.gz CGACXFVQPYWGHN-MRVPVSSYSA-N 1 0 277.195 3.089 20 10 CGCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CC[C@@H](CF)C2)c1 ZINC001331035930 935342911 /nfs/dbraw/zinc/34/29/11/935342911.db2.gz IQEVKOARQVHTIO-NSHDSACASA-N 1 0 281.371 3.187 20 10 CGCDRO Cc1ccc(C[N@@H+]2Cc3ccc(O)cc3C3(CC3)C2)c(O)c1 ZINC001331742035 935406949 /nfs/dbraw/zinc/40/69/49/935406949.db2.gz NCGVCNCVCALWFA-UHFFFAOYSA-N 1 0 295.382 3.454 20 10 CGCDRO COc1cc(C)cc(C[NH+]2CC3(C2)CCCC3)c1O ZINC001332006278 935432739 /nfs/dbraw/zinc/43/27/39/935432739.db2.gz YZRNKDNGGPWLLA-UHFFFAOYSA-N 1 0 261.365 3.085 20 10 CGCDRO COc1cccc(C2([NH2+]Cc3ccc(N)cc3)CCC2)c1 ZINC001334774757 936113026 /nfs/dbraw/zinc/11/30/26/936113026.db2.gz MXMNZEQGLIMAFN-UHFFFAOYSA-N 1 0 282.387 3.446 20 10 CGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]Cc1csc(N)n1 ZINC001335252463 936135598 /nfs/dbraw/zinc/13/55/98/936135598.db2.gz ILGPPMITIVGBJR-ONGXEEELSA-N 1 0 289.404 3.077 20 10 CGCDRO Nc1ccc(C[N@H+](Cc2ccccc2)[C@H](CO)C2CC2)cc1 ZINC001335286138 936137480 /nfs/dbraw/zinc/13/74/80/936137480.db2.gz TXIVEMXITKDZMI-LJQANCHMSA-N 1 0 296.414 3.042 20 10 CGCDRO Cc1cccc(OC[C@H](C)[NH2+]Cc2ccc(N)cc2)c1 ZINC001336284979 936186157 /nfs/dbraw/zinc/18/61/57/936186157.db2.gz FTDWFIFBEBWUJT-AWEZNQCLSA-N 1 0 270.376 3.134 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](c3nccs3)C2)cc1C ZINC001337169346 936240890 /nfs/dbraw/zinc/24/08/90/936240890.db2.gz MFEBHWLUQHGAQT-ZDUSSCGKSA-N 1 0 288.416 3.455 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CCC[C@@H]2CSC)c(O)c1 ZINC001474310559 937850498 /nfs/dbraw/zinc/85/04/98/937850498.db2.gz MLIWJUVOOCQKDM-GFCCVEGCSA-N 1 0 281.421 3.037 20 10 CGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CCC[C@@H](C(C)(C)O)C2)c1 ZINC001474697979 937875687 /nfs/dbraw/zinc/87/56/87/937875687.db2.gz HNIFJRRNMMAKNO-MRXNPFEDSA-N 1 0 291.435 3.499 20 10 CGCDRO Cc1cc(F)ccc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC001560302829 938252057 /nfs/dbraw/zinc/25/20/57/938252057.db2.gz MYLNOWDDEOULLC-UHFFFAOYSA-N 1 0 271.335 3.359 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C)[C@H]1CCCCO1 ZINC001560908180 938283208 /nfs/dbraw/zinc/28/32/08/938283208.db2.gz IGVGZYNCHSFJET-QZTJIDSGSA-N 1 0 290.451 3.498 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2cccn2C(F)F)c1 ZINC001560937694 938285516 /nfs/dbraw/zinc/28/55/16/938285516.db2.gz KWCCGRHJTDLMFJ-UHFFFAOYSA-N 1 0 266.291 3.187 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CCO[C@@H](C(C)(C)C)CC2)c1 ZINC001561052314 938291997 /nfs/dbraw/zinc/29/19/97/938291997.db2.gz YDLITLQPQNNWRT-MRXNPFEDSA-N 1 0 293.407 3.038 20 10 CGCDRO CCC(CC)[C@H](CC[NH2+]Cc1ccc(N)cc1)OC ZINC001577068066 960474053 /nfs/dbraw/zinc/47/40/53/960474053.db2.gz ABGMVTBXIKDEAB-INIZCTEOSA-N 1 0 264.413 3.200 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+][C@@H](CN)C2CCCC2)c1 ZINC001575858833 962418896 /nfs/dbraw/zinc/41/88/96/962418896.db2.gz SDNDNCRUDXXZMP-INIZCTEOSA-N 1 0 276.424 3.123 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CNCC[C@@H]1c1ccccc1)c1ccccc1O ZINC001579414934 962627319 /nfs/dbraw/zinc/62/73/19/962627319.db2.gz PSDGMQGPWXWZLT-OLMNPRSZSA-N 1 0 296.414 3.189 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CNCC[C@H]1c1ccccc1)c1ccccc1O ZINC001579414933 962632192 /nfs/dbraw/zinc/63/21/92/962632192.db2.gz PSDGMQGPWXWZLT-JLSDUUJJSA-N 1 0 296.414 3.189 20 10 CGCDRO CC[C@@H]([NH2+]CCc1scnc1C)c1ccccc1O ZINC000271658726 346411496 /nfs/dbraw/zinc/41/14/96/346411496.db2.gz CVRFVTPVGXOJLP-CYBMUJFWSA-N 1 0 276.405 3.441 20 10 CGCDRO CCC[C@]1(COC)CCC[N@@H+]1Cc1cccc(OC)c1O ZINC000195198105 284084516 /nfs/dbraw/zinc/08/45/16/284084516.db2.gz SLEDRURBTDPDCO-QGZVFWFLSA-N 1 0 293.407 3.182 20 10 CGCDRO COc1ccccc1[C@H](C)[NH2+]Cc1ccccc1O ZINC000020096675 368801832 /nfs/dbraw/zinc/80/18/32/368801832.db2.gz SFTXKXFVOWJJMG-LBPRGKRZSA-N 1 0 257.333 3.252 20 10 CGCDRO CCCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000020583086 368808736 /nfs/dbraw/zinc/80/87/36/368808736.db2.gz OONPTEJMOIBUHW-ZDUSSCGKSA-N 1 0 280.387 3.113 20 10 CGCDRO CC[C@H]([NH2+]CCc1ccncc1)c1ccccc1O ZINC000048261406 369338196 /nfs/dbraw/zinc/33/81/96/369338196.db2.gz AQJOSQOWPYJKKT-HNNXBMFYSA-N 1 0 256.349 3.071 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1cccc(O)c1 ZINC000113336424 370471452 /nfs/dbraw/zinc/47/14/52/370471452.db2.gz WICDEHJITQKQKB-GFCCVEGCSA-N 1 0 288.366 3.448 20 10 CGCDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1c(O)cccc1Cl ZINC000289143792 371750842 /nfs/dbraw/zinc/75/08/42/371750842.db2.gz ANBLEUAOJYVEIG-WFASDCNBSA-N 1 0 294.826 3.104 20 10 CGCDRO Cc1cc(C[N@@H+](C)Cc2ccccc2O)cc(C)c1O ZINC000289202315 371751956 /nfs/dbraw/zinc/75/19/56/371751956.db2.gz VOTDFHWWQJPXBL-UHFFFAOYSA-N 1 0 271.360 3.347 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CCCc3occc3C2)c1O ZINC000289250859 371752479 /nfs/dbraw/zinc/75/24/79/371752479.db2.gz BBAGLZGLJGFWCG-UHFFFAOYSA-N 1 0 287.359 3.332 20 10 CGCDRO CCCOc1ccc(C[N@H+](C)C[C@H]2CCCOC2)c(O)c1 ZINC000156032272 371957825 /nfs/dbraw/zinc/95/78/25/371957825.db2.gz WDSLOBGSELBINB-CQSZACIVSA-N 1 0 293.407 3.039 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](C)N(C)C2CC2)c(O)c1 ZINC000293565204 372413088 /nfs/dbraw/zinc/41/30/88/372413088.db2.gz DCUIRYRJIJXYJD-UONOGXRCSA-N 1 0 276.424 3.142 20 10 CGCDRO CCOC1(C[NH2+]Cc2cccc(C)c2O)CCCC1 ZINC000293760266 372473817 /nfs/dbraw/zinc/47/38/17/372473817.db2.gz XPLDCDGXAXSSIG-UHFFFAOYSA-N 1 0 263.381 3.140 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2occc2C)c1 ZINC000293674895 372445426 /nfs/dbraw/zinc/44/54/26/372445426.db2.gz MWZNLZXHXBPMOA-NSHDSACASA-N 1 0 261.321 3.153 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C2CCSCC2)c(O)c1 ZINC000168832028 372621594 /nfs/dbraw/zinc/62/15/94/372621594.db2.gz LQCFVVSQZXCHQL-LLVKDONJSA-N 1 0 251.395 3.247 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]CC(C)(C)SC)c1O ZINC000169090681 372625663 /nfs/dbraw/zinc/62/56/63/372625663.db2.gz XTRTWBZZIONHER-UHFFFAOYSA-N 1 0 289.828 3.285 20 10 CGCDRO COCC(C)(C)C[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000294486509 372656081 /nfs/dbraw/zinc/65/60/81/372656081.db2.gz XOYVOLPSQUFGLX-ZDUSSCGKSA-N 1 0 265.397 3.332 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCc2ncccc2C)cc1C ZINC000295008610 372685797 /nfs/dbraw/zinc/68/57/97/372685797.db2.gz LWICEXUMEIGVFZ-UHFFFAOYSA-N 1 0 270.376 3.045 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](OC)C(C)(C)C2)c1 ZINC000295052971 372688269 /nfs/dbraw/zinc/68/82/69/372688269.db2.gz PPUFLWSVEGBNQO-MRXNPFEDSA-N 1 0 293.407 3.038 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CCc3cccc(O)c32)c(OC)c1 ZINC000295778342 372907958 /nfs/dbraw/zinc/90/79/58/372907958.db2.gz ASKVLDLHSKOMPA-OAHLLOKOSA-N 1 0 299.370 3.187 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H]2CCc3cccc(O)c32)cc1 ZINC000295790044 372912557 /nfs/dbraw/zinc/91/25/57/372912557.db2.gz BKHHHRODGAAVMT-OAHLLOKOSA-N 1 0 253.345 3.478 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]CCCNc1ccccc1)CC2 ZINC000296233615 373061828 /nfs/dbraw/zinc/06/18/28/373061828.db2.gz ANOYTFUKCJHDHL-MRXNPFEDSA-N 1 0 282.387 3.471 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H](C)CCCO)c1cc2c(cc1O)CCCC2 ZINC000296376469 373110965 /nfs/dbraw/zinc/11/09/65/373110965.db2.gz JKVYUGNAHVIMRA-UONOGXRCSA-N 1 0 291.435 3.330 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCc2ncccc2C)c(O)c1 ZINC000296259409 373072116 /nfs/dbraw/zinc/07/21/16/373072116.db2.gz DEHCGQFGSCFWJT-AWEZNQCLSA-N 1 0 270.376 3.297 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCOC1(C)C)c1cc(Cl)ccc1O ZINC000296506469 373157794 /nfs/dbraw/zinc/15/77/94/373157794.db2.gz PIJMLPNTONUBEH-NOZJJQNGSA-N 1 0 269.772 3.264 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](C)CCCCO)cc1 ZINC000296450541 373139014 /nfs/dbraw/zinc/13/90/14/373139014.db2.gz MRZBKBDIVTWUTB-GJZGRUSLSA-N 1 0 278.440 3.344 20 10 CGCDRO COC[C@H]([NH2+][C@H]1CCc2cccc(O)c21)c1ccccc1 ZINC000296685983 373220896 /nfs/dbraw/zinc/22/08/96/373220896.db2.gz GVHCSFQDWPGCAY-HOTGVXAUSA-N 1 0 283.371 3.357 20 10 CGCDRO CC[C@H](COCC(F)(F)F)[NH2+][C@H](C)c1ccccc1O ZINC000296631577 373201363 /nfs/dbraw/zinc/20/13/63/373201363.db2.gz BKELLYRUBCSCSK-GHMZBOCLSA-N 1 0 291.313 3.400 20 10 CGCDRO CCn1ccnc1C[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000296632045 373201447 /nfs/dbraw/zinc/20/14/47/373201447.db2.gz XLGAEKHOIVSULR-ZDUSSCGKSA-N 1 0 273.380 3.076 20 10 CGCDRO CS[C@H]1CCCC[N@H+](Cc2ccccc2O)C1 ZINC000179586890 373890851 /nfs/dbraw/zinc/89/08/51/373890851.db2.gz AUJWBPBVQGKWEZ-ZDUSSCGKSA-N 1 0 251.395 3.110 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H]2c2cccn2C)c1 ZINC000179598516 373894120 /nfs/dbraw/zinc/89/41/20/373894120.db2.gz YNDMMXQMUIESSG-INIZCTEOSA-N 1 0 286.375 3.076 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](C)[C@H]2C)cc1OC ZINC000179942061 373944898 /nfs/dbraw/zinc/94/48/98/373944898.db2.gz RYLSGLCUACMSDD-VXGBXAGGSA-N 1 0 279.380 3.030 20 10 CGCDRO C[C@H]([NH2+]CCc1ccc2c(c1)CCO2)c1ccccc1O ZINC000179891838 373936941 /nfs/dbraw/zinc/93/69/41/373936941.db2.gz BLCYROGIYIFTMH-ZDUSSCGKSA-N 1 0 283.371 3.220 20 10 CGCDRO COCC[N@H+](Cc1ccc(C)o1)Cc1cc(F)ccc1O ZINC000180209908 373979127 /nfs/dbraw/zinc/97/91/27/373979127.db2.gz AHKVIGQEHRMGKY-UHFFFAOYSA-N 1 0 293.338 3.081 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CCCC[C@H](SC)C2)c1 ZINC000180763415 374043253 /nfs/dbraw/zinc/04/32/53/374043253.db2.gz XNZRWVDBMWLWMD-AWEZNQCLSA-N 1 0 281.421 3.118 20 10 CGCDRO C[C@H]([NH2+]C[C@](C)(O)c1ccc(F)cc1)c1ccccc1O ZINC000183631085 374435820 /nfs/dbraw/zinc/43/58/20/374435820.db2.gz YADDYDQCGGEVQF-SJCJKPOMSA-N 1 0 289.350 3.090 20 10 CGCDRO COc1cc(O)c(C[N@H+]([C@H](C)C(C)C)C2CC2)cc1OC ZINC000183446459 374416551 /nfs/dbraw/zinc/41/65/51/374416551.db2.gz YYOWFQAUMDIQDI-GFCCVEGCSA-N 1 0 293.407 3.418 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21)c1ccccc1O ZINC000183563481 374428174 /nfs/dbraw/zinc/42/81/74/374428174.db2.gz AJDGLFQDKHDILT-ADSMDIBLSA-N 1 0 261.365 3.000 20 10 CGCDRO C[C@H](C[NH2+][C@@H](C)c1cc(Cl)ccc1O)N(C)C1CC1 ZINC000185368504 374649053 /nfs/dbraw/zinc/64/90/53/374649053.db2.gz QMAFANGOOMMAKW-MNOVXSKESA-N 1 0 282.815 3.179 20 10 CGCDRO COCCC1(C[NH2+][C@@H](C)c2cc(OC)ccc2O)CCC1 ZINC000185752759 374730497 /nfs/dbraw/zinc/73/04/97/374730497.db2.gz GQNPEEJXKCQJOH-ZDUSSCGKSA-N 1 0 293.407 3.258 20 10 CGCDRO CCOC1CC(CC[NH2+]Cc2ccc(N(C)C)cc2)C1 ZINC000188788519 375269574 /nfs/dbraw/zinc/26/95/74/375269574.db2.gz HXHVKBCVZDAFEP-UHFFFAOYSA-N 1 0 276.424 3.047 20 10 CGCDRO CC[C@]1(CO)CCC[N@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000190219042 375487295 /nfs/dbraw/zinc/48/72/95/375487295.db2.gz MKUDAJBVFQFIPB-INIZCTEOSA-N 1 0 297.826 3.339 20 10 CGCDRO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2O)C12CCC2 ZINC000248383694 377301473 /nfs/dbraw/zinc/30/14/73/377301473.db2.gz AZCSLHLJEZOWMU-DAXOMENPSA-N 1 0 275.392 3.391 20 10 CGCDRO CCOCc1cc(C[NH2+][C@H]2CCCSC2)ccc1OC ZINC000267237069 378034367 /nfs/dbraw/zinc/03/43/67/378034367.db2.gz WXHZRVYOQJVVJE-HNNXBMFYSA-N 1 0 295.448 3.217 20 10 CGCDRO CCCOc1ccc(C[NH2+]C[C@@H]2CCO[C@@H](C)C2)c(O)c1 ZINC000271581648 378498785 /nfs/dbraw/zinc/49/87/85/378498785.db2.gz YLNIDRLZYQMNPN-UONOGXRCSA-N 1 0 293.407 3.086 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCC[C@H](C)CO)cc1 ZINC000271595006 378499479 /nfs/dbraw/zinc/49/94/79/378499479.db2.gz YUSFWYIPSZFZII-GJZGRUSLSA-N 1 0 278.440 3.202 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)c1O ZINC000271711909 378500525 /nfs/dbraw/zinc/50/05/25/378500525.db2.gz BBDSSNLGPUCGKO-HNNXBMFYSA-N 1 0 256.349 3.366 20 10 CGCDRO CO[C@@H](c1ccccc1F)[C@@H](C)[NH2+]Cc1ccccc1O ZINC000271976950 378534283 /nfs/dbraw/zinc/53/42/83/378534283.db2.gz IVDJVVBLPXPAPO-SJKOYZFVSA-N 1 0 289.350 3.397 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCC[C@H]2OC)c1 ZINC000273368687 378741727 /nfs/dbraw/zinc/74/17/27/378741727.db2.gz BWUORELRNWWERF-HZUKXOBISA-N 1 0 279.380 3.009 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](CCO)c2ccccc2)c1 ZINC000273621918 378757774 /nfs/dbraw/zinc/75/77/74/378757774.db2.gz ZJXJVMJYPNONOA-WMLDXEAASA-N 1 0 285.387 3.475 20 10 CGCDRO C[C@@H](Cn1cccn1)[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000273475303 378747295 /nfs/dbraw/zinc/74/72/95/378747295.db2.gz KNLYUWSPIAUPSZ-KBPBESRZSA-N 1 0 295.386 3.481 20 10 CGCDRO CCC(O)(CC)C[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000273561357 378751741 /nfs/dbraw/zinc/75/17/41/378751741.db2.gz IFCUTVMBZFQEOO-CYBMUJFWSA-N 1 0 265.397 3.211 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](CCO)C(C)C)c(O)c1C ZINC000273558528 378752058 /nfs/dbraw/zinc/75/20/58/378752058.db2.gz HLYUHQITFBPZFT-ZFWWWQNUSA-N 1 0 265.397 3.067 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCc2ccncc2)c(O)c1C ZINC000273623022 378758061 /nfs/dbraw/zinc/75/80/61/378758061.db2.gz ZQCOFGCOWJYPIE-CQSZACIVSA-N 1 0 270.376 3.297 20 10 CGCDRO CC(C)[C@H](CCO)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000273596462 378755732 /nfs/dbraw/zinc/75/57/32/378755732.db2.gz QVNKDWYDAFBCEW-GWCFXTLKSA-N 1 0 271.788 3.103 20 10 CGCDRO CC[C@@H](CCO)C[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000273595929 378756391 /nfs/dbraw/zinc/75/63/91/378756391.db2.gz QPFRPEWXJYUZRD-KGLIPLIRSA-N 1 0 265.397 3.068 20 10 CGCDRO Cc1cc([C@@H]2CCCN2Cc2cc(F)ccc2O)no1 ZINC000371536956 379167568 /nfs/dbraw/zinc/16/75/68/379167568.db2.gz WHXSJBGEBVFTRZ-AWEZNQCLSA-N 1 0 276.311 3.165 20 10 CGCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H]2C2CC2)c1O ZINC000371859769 379178847 /nfs/dbraw/zinc/17/88/47/379178847.db2.gz YDPQFDSTXWYCDH-HNNXBMFYSA-N 1 0 277.339 3.108 20 10 CGCDRO Cc1ccc(O)c(C[NH+]2CCC(c3nccc(C)n3)CC2)c1 ZINC000371888310 379180996 /nfs/dbraw/zinc/18/09/96/379180996.db2.gz NYJXCANECKPFIC-UHFFFAOYSA-N 1 0 297.402 3.179 20 10 CGCDRO C[C@@H]1COCC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000372231378 379192613 /nfs/dbraw/zinc/19/26/13/379192613.db2.gz MDARAYYCKLGOLC-ZDUSSCGKSA-N 1 0 271.360 3.014 20 10 CGCDRO CC[C@@H]([NH2+]CCF)c1cc(Br)ccc1O ZINC000281149565 379819811 /nfs/dbraw/zinc/81/98/11/379819811.db2.gz VBMBAYFQKMYRFY-SNVBAGLBSA-N 1 0 276.149 3.165 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCCOC(C)C)c(O)c1 ZINC000284184935 380135206 /nfs/dbraw/zinc/13/52/06/380135206.db2.gz RFXMRNZOWJGENS-AWEZNQCLSA-N 1 0 265.397 3.475 20 10 CGCDRO CN(C)c1ccc(C[NH+]2CCC3(CCOCC3)CC2)cc1 ZINC000284910209 380143233 /nfs/dbraw/zinc/14/32/33/380143233.db2.gz XIQDZMRCWOCALG-UHFFFAOYSA-N 1 0 288.435 3.145 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CC(C)(C)CCCO)c(O)c1 ZINC000285246110 380145235 /nfs/dbraw/zinc/14/52/35/380145235.db2.gz PUDYENUBXGSFTJ-CQSZACIVSA-N 1 0 279.424 3.458 20 10 CGCDRO CCc1ccc([C@@H](O)C[NH2+]Cc2cc(C)ccc2O)cc1 ZINC000285433628 380147700 /nfs/dbraw/zinc/14/77/00/380147700.db2.gz HRVOKYDHSJDTJH-SFHVURJKSA-N 1 0 285.387 3.086 20 10 CGCDRO COCCCC[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000283981909 380113455 /nfs/dbraw/zinc/11/34/55/380113455.db2.gz GZFFSNXBTSLTEK-CYBMUJFWSA-N 1 0 251.370 3.086 20 10 CGCDRO C[N@H+](CCCCCF)Cc1ccc(N2CCOCC2)cc1 ZINC000284058373 380120624 /nfs/dbraw/zinc/12/06/24/380120624.db2.gz JXVIMYXVHWBIBA-UHFFFAOYSA-N 1 0 294.414 3.095 20 10 CGCDRO CCC[C@@]1([NH2+]Cc2cc(C)c(C)cc2O)CCOC1 ZINC000285617819 380150023 /nfs/dbraw/zinc/15/00/23/380150023.db2.gz WGRHHTGZXLZJBW-MRXNPFEDSA-N 1 0 263.381 3.058 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1cc(Cl)ccc1O ZINC000363866764 382259916 /nfs/dbraw/zinc/25/99/16/382259916.db2.gz PGGUNZRGEGBLEW-NOZJJQNGSA-N 1 0 291.782 3.497 20 10 CGCDRO c1[nH]nc2c1[C@H]([NH2+]Cc1ccc(N3CCCC3)cc1)CCC2 ZINC000367614716 382352369 /nfs/dbraw/zinc/35/23/69/382352369.db2.gz HYGOCROWOBEYBV-QGZVFWFLSA-N 1 0 296.418 3.177 20 10 CGCDRO COc1cccc(C[N@H+](C)Cc2ccc(C)s2)c1O ZINC000093049386 392234560 /nfs/dbraw/zinc/23/45/60/392234560.db2.gz IPBHFAMFXRNNFR-UHFFFAOYSA-N 1 0 277.389 3.403 20 10 CGCDRO CCOc1ccc(O)c(C[N@H+](C)[C@H](C)CCSC)c1 ZINC000093558922 392238540 /nfs/dbraw/zinc/23/85/40/392238540.db2.gz GSYKARYYDCDFFZ-GFCCVEGCSA-N 1 0 283.437 3.364 20 10 CGCDRO CCOCCC[NH2+][C@H](C)c1ccc(N(C)CC)cc1 ZINC000131509192 392457071 /nfs/dbraw/zinc/45/70/71/392457071.db2.gz SALLUIMRQMJNAE-CQSZACIVSA-N 1 0 264.413 3.220 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCc2cccnc2)cc1 ZINC000133473540 392464015 /nfs/dbraw/zinc/46/40/15/392464015.db2.gz BACNPPJYXBDQBK-OAHLLOKOSA-N 1 0 283.419 3.431 20 10 CGCDRO CC[C@H]([NH2+]C[C@H](O)c1cccc(F)c1)c1ccccc1O ZINC000121090706 392409307 /nfs/dbraw/zinc/40/93/07/392409307.db2.gz HOCYKLIIYUJRGP-RDJZCZTQSA-N 1 0 289.350 3.306 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)cc1C ZINC000374154934 392671489 /nfs/dbraw/zinc/67/14/89/392671489.db2.gz BHVWJCRLWGCVAP-DJIMGWMZSA-N 1 0 289.419 3.302 20 10 CGCDRO Cc1cc(Cl)cc(C[NH+]2CCC3(CCO3)CC2)c1O ZINC000374331627 392676557 /nfs/dbraw/zinc/67/65/57/392676557.db2.gz ONQKSCRFOHXLLU-UHFFFAOYSA-N 1 0 281.783 3.109 20 10 CGCDRO C[C@H]([NH2+]CC(C)(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000178678793 392683692 /nfs/dbraw/zinc/68/36/92/392683692.db2.gz ODFCQYPRMXXQLV-ZDUSSCGKSA-N 1 0 294.414 3.359 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]C[C@H](C)c2nccs2)c1 ZINC000230694153 393025214 /nfs/dbraw/zinc/02/52/14/393025214.db2.gz LSQPNNJRVKQRPP-NSHDSACASA-N 1 0 262.378 3.050 20 10 CGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000394978524 397696691 /nfs/dbraw/zinc/69/66/91/397696691.db2.gz CTWXRTVLEPBJRY-UXIGCNINSA-N 1 0 272.392 3.142 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc2c(c1)OCO2)c1ccccc1O ZINC000020124435 171007140 /nfs/dbraw/zinc/00/71/40/171007140.db2.gz GEKRDLHVDVCVAC-AWEZNQCLSA-N 1 0 285.343 3.362 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2cccnc2)c1 ZINC000020127700 171013595 /nfs/dbraw/zinc/01/35/95/171013595.db2.gz DIOGBOWWXOQRIO-RYUDHWBXSA-N 1 0 272.348 3.208 20 10 CGCDRO CC(C)(C)c1ccc(O)c(C[NH+]2CCSCC2)c1 ZINC000040395017 174252985 /nfs/dbraw/zinc/25/29/85/174252985.db2.gz WFZZFGIKBHYVHT-UHFFFAOYSA-N 1 0 265.422 3.239 20 10 CGCDRO CCCCC[NH2+]Cc1cc(Br)ccc1O ZINC000076275391 176968015 /nfs/dbraw/zinc/96/80/15/176968015.db2.gz JAASAWBNZGOQMZ-UHFFFAOYSA-N 1 0 272.186 3.435 20 10 CGCDRO C[C@H](CCc1ccc(O)cc1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000126991555 260360185 /nfs/dbraw/zinc/36/01/85/260360185.db2.gz AEKYHBXHEPUVKR-CQSZACIVSA-N 1 0 297.398 3.438 20 10 CGCDRO C[C@H]([NH2+]Cc1ccnn1C)c1ccc(N2CCCCC2)cc1 ZINC000152206448 261061028 /nfs/dbraw/zinc/06/10/28/261061028.db2.gz KACLUMQZJACOET-HNNXBMFYSA-N 1 0 298.434 3.261 20 10 CGCDRO C[C@H]([NH2+]CCc1ccccc1O)c1ccc(N(C)C)cc1 ZINC000154939783 261096128 /nfs/dbraw/zinc/09/61/28/261096128.db2.gz PXAFUVNVXNOKOC-AWEZNQCLSA-N 1 0 284.403 3.352 20 10 CGCDRO CC[C@H]([NH2+]C[C@@]1(O)CCc2ccccc21)c1ccccc1O ZINC000156887206 261134901 /nfs/dbraw/zinc/13/49/01/261134901.db2.gz QXQISAWOVAYMGI-HKUYNNGSSA-N 1 0 297.398 3.267 20 10 CGCDRO COc1cccc(C[N@H+]([C@@H](C)C(C)C)C2CC2)c1O ZINC000156983095 261136627 /nfs/dbraw/zinc/13/66/27/261136627.db2.gz NVKSOIIAYRFCQM-LBPRGKRZSA-N 1 0 263.381 3.410 20 10 CGCDRO CCOc1ccc(O)c(C[N@H+](C)Cc2ccc(C)o2)c1 ZINC000160870865 261229354 /nfs/dbraw/zinc/22/93/54/261229354.db2.gz VFACOIAMEPMNNS-UHFFFAOYSA-N 1 0 275.348 3.324 20 10 CGCDRO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)C[C@H]1CCCO1 ZINC000161388086 261245913 /nfs/dbraw/zinc/24/59/13/261245913.db2.gz KXGOSUXELUIBIV-GOSISDBHSA-N 1 0 288.435 3.288 20 10 CGCDRO C[C@@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1ccc(N(C)C)cc1 ZINC000161938483 261263784 /nfs/dbraw/zinc/26/37/84/261263784.db2.gz YEMQAFSMEWYGIL-ZCPGHIKRSA-N 1 0 288.435 3.217 20 10 CGCDRO CCc1nn(C)c(CC)c1C[NH2+][C@@H](C)c1ccccc1O ZINC000183629515 261983171 /nfs/dbraw/zinc/98/31/71/261983171.db2.gz RDZHKWAPGSAEEU-LBPRGKRZSA-N 1 0 287.407 3.101 20 10 CGCDRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccccc1O ZINC000185195165 262045244 /nfs/dbraw/zinc/04/52/44/262045244.db2.gz RMIUMNFMYQVDRP-ZBFHGGJFSA-N 1 0 263.381 3.076 20 10 CGCDRO C[C@@H]([NH2+]C[C@@](C)(O)c1cccs1)c1cc(F)ccc1O ZINC000185519678 262058037 /nfs/dbraw/zinc/05/80/37/262058037.db2.gz VLKFWXDTLZTNAX-MEBBXXQBSA-N 1 0 295.379 3.151 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@](C)(O)c2ccsc2)c1 ZINC000185528859 262058510 /nfs/dbraw/zinc/05/85/10/262058510.db2.gz WTCISFBWRBDPLR-BLLLJJGKSA-N 1 0 291.416 3.320 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(C)(C)[C@H](O)C(C)C)c1 ZINC000186174725 262082731 /nfs/dbraw/zinc/08/27/31/262082731.db2.gz JYJDRRHWFYYIJS-BLLLJJGKSA-N 1 0 295.423 3.095 20 10 CGCDRO CC(C)[C@@H](O)C(C)(C)C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000186174987 262083034 /nfs/dbraw/zinc/08/30/34/262083034.db2.gz CZIJLTMOEBMDTO-IAQYHMDHSA-N 1 0 283.387 3.225 20 10 CGCDRO C/C=C/C[C@@H](CO)[NH2+][C@H](C)c1ccc(N(C)CC)cc1 ZINC000186511087 262096125 /nfs/dbraw/zinc/09/61/25/262096125.db2.gz PXRSGFRUMLVTDI-HMQGTJFBSA-N 1 0 276.424 3.120 20 10 CGCDRO C[C@H]([NH2+][C@@H](CCO)c1ccco1)c1ccc(N(C)C)cc1 ZINC000186546774 262097964 /nfs/dbraw/zinc/09/79/64/262097964.db2.gz CVZCASQXGULVMS-BBRMVZONSA-N 1 0 288.391 3.120 20 10 CGCDRO C[C@@H]([NH2+][C@H](CCO)c1ccco1)c1cc(Cl)ccc1O ZINC000186558668 262098852 /nfs/dbraw/zinc/09/88/52/262098852.db2.gz CRPWLENWWKRMGF-ZWNOBZJWSA-N 1 0 295.766 3.413 20 10 CGCDRO CO[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000276885646 263038434 /nfs/dbraw/zinc/03/84/34/263038434.db2.gz GTWJZLVGSCLQHY-JIMOISOXSA-N 1 0 285.334 3.279 20 10 CGCDRO CCOC[C@H]([NH2+][C@H](C)c1cc(F)ccc1O)C(C)C ZINC000189351625 264293063 /nfs/dbraw/zinc/29/30/63/264293063.db2.gz MICAZRNDSMPYEE-RISCZKNCSA-N 1 0 269.360 3.243 20 10 CGCDRO COc1cccc(C[NH2+][C@H](c2ccccn2)C2CCC2)c1O ZINC000527773787 270135285 /nfs/dbraw/zinc/13/52/85/270135285.db2.gz QXDDRSLTBOJVFA-KRWDZBQOSA-N 1 0 298.386 3.427 20 10 CGCDRO Cc1cc(O)c(C[NH+]2CCC([C@H]3CCOC3)CC2)cc1C ZINC000368245040 267155632 /nfs/dbraw/zinc/15/56/32/267155632.db2.gz PDKFGMQTIUBYHH-INIZCTEOSA-N 1 0 289.419 3.258 20 10 CGCDRO COc1ccc(N2CCC([NH2+][C@@H](C)C3CC3)CC2)cc1 ZINC000370113184 267292302 /nfs/dbraw/zinc/29/23/02/267292302.db2.gz QQQRUYPSGHFRKY-ZDUSSCGKSA-N 1 0 274.408 3.052 20 10 CGCDRO COC1(C)CC[NH+](Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000294670275 277182029 /nfs/dbraw/zinc/18/20/29/277182029.db2.gz RVHHJEZVBBSMCD-UHFFFAOYSA-N 1 0 276.424 3.062 20 10 CGCDRO Cc1nccn1CCCC[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000185544930 327840577 /nfs/dbraw/zinc/84/05/77/327840577.db2.gz NNBNPRABBRUVAP-AWEZNQCLSA-N 1 0 287.407 3.337 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](C)c2nccs2)c1 ZINC000186732475 327917889 /nfs/dbraw/zinc/91/78/89/327917889.db2.gz AAQOOEYZVJXRLL-GHMZBOCLSA-N 1 0 292.404 3.312 20 10 CGCDRO CC(C)CCOCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297845160 327124700 /nfs/dbraw/zinc/12/47/00/327124700.db2.gz SNCZSSRVSJJDSW-CQSZACIVSA-N 1 0 263.381 3.032 20 10 CGCDRO Cc1cc(C)cc(N(C)C(=O)c2ccccc2CC[NH3+])c1 ZINC000070552887 328672321 /nfs/dbraw/zinc/67/23/21/328672321.db2.gz LIWCSKXLAPNDIX-UHFFFAOYSA-N 1 0 282.387 3.081 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@H]2CN(C)Cc3ccccc32)cc1 ZINC000378269712 329044758 /nfs/dbraw/zinc/04/47/58/329044758.db2.gz IKNNPJYQASQTPP-IBGZPJMESA-N 1 0 295.430 3.029 20 10 CGCDRO Cc1ccc(C2CC[NH+](Cc3ccccc3O)CC2)cn1 ZINC000378628807 329056850 /nfs/dbraw/zinc/05/68/50/329056850.db2.gz CCONTJVSPVHREO-UHFFFAOYSA-N 1 0 282.387 3.475 20 10 CGCDRO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1ccccc1O)CO2 ZINC000378640322 329057575 /nfs/dbraw/zinc/05/75/75/329057575.db2.gz VGHYZQFDYVUTET-WFASDCNBSA-N 1 0 269.344 3.485 20 10 CGCDRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1ccccc1O)CO2 ZINC000378640320 329057588 /nfs/dbraw/zinc/05/75/88/329057588.db2.gz VGHYZQFDYVUTET-SWLSCSKDSA-N 1 0 269.344 3.485 20 10 CGCDRO COc1ccc(N2CCC([NH2+][C@H]3CC=CCC3)CC2)cc1 ZINC000360039532 329070338 /nfs/dbraw/zinc/07/03/38/329070338.db2.gz KIAUXNDPPPRZCB-HNNXBMFYSA-N 1 0 286.419 3.362 20 10 CGCDRO Cc1cccc([C@H]2CCC[N@@H+]2Cc2ccccc2O)n1 ZINC000179576033 329209565 /nfs/dbraw/zinc/20/95/65/329209565.db2.gz DCPMCBMDNJAYQJ-MRXNPFEDSA-N 1 0 268.360 3.433 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000179579408 329209643 /nfs/dbraw/zinc/20/96/43/329209643.db2.gz NQDJAICMPNQMHY-LJQANCHMSA-N 1 0 295.382 3.066 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2CCc3n[nH]cc3C2)cc1 ZINC000246390176 329845942 /nfs/dbraw/zinc/84/59/42/329845942.db2.gz KRTDELOLQBQXAB-CJNGLKHVSA-N 1 0 298.434 3.074 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CC[C@H]2CCCOC2)c1 ZINC000527925138 330296480 /nfs/dbraw/zinc/29/64/80/330296480.db2.gz IBZLCBBRPUXCCW-UONOGXRCSA-N 1 0 263.381 3.168 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCCOC2)c2c1c(F)ccc2O ZINC000527935733 330297938 /nfs/dbraw/zinc/29/79/38/330297938.db2.gz YOXFFSUFXRGOEI-BZPMIXESSA-N 1 0 293.382 3.486 20 10 CGCDRO CC[C@H]([NH2+]CC1COC1)c1ccc(C(F)(F)F)cc1O ZINC000528024927 330304911 /nfs/dbraw/zinc/30/49/11/330304911.db2.gz FDRDGLBOGRBNPO-LBPRGKRZSA-N 1 0 289.297 3.098 20 10 CGCDRO C[C@H]([NH2+]CCc1cnn(C)c1)c1ccc2ccccc2c1O ZINC000159745402 330850877 /nfs/dbraw/zinc/85/08/77/330850877.db2.gz PSUOKCPZKQXQMB-ZDUSSCGKSA-N 1 0 295.386 3.172 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCOC(C)(C)C2)c(O)c1 ZINC000159972464 330855916 /nfs/dbraw/zinc/85/59/16/330855916.db2.gz UHUNUFNPUQXPGC-OLZOCXBDSA-N 1 0 263.381 3.309 20 10 CGCDRO CC[C@H]([NH2+]C[C@H](OC)C(C)C)c1ccccc1O ZINC000274908611 334785393 /nfs/dbraw/zinc/78/53/93/334785393.db2.gz MOSJSEDGOLERKB-ZFWWWQNUSA-N 1 0 251.370 3.104 20 10 CGCDRO CC(C)(C)c1cnc(C[NH2+]Cc2ccccc2O)s1 ZINC000279058868 519072665 /nfs/dbraw/zinc/07/26/65/519072665.db2.gz FCDWZLPYLGKPMD-UHFFFAOYSA-N 1 0 276.405 3.436 20 10 CGCDRO CC(C)C[C@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)cc2)CCO1 ZINC000271979945 519419698 /nfs/dbraw/zinc/41/96/98/519419698.db2.gz JNDRBIMNNTULHT-AEFFLSMTSA-N 1 0 290.451 3.436 20 10 CGCDRO CCC1(O)CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000266106899 519846703 /nfs/dbraw/zinc/84/67/03/519846703.db2.gz ROQXQMDTYCPZFH-UHFFFAOYSA-N 1 0 285.387 3.282 20 10 CGCDRO CCOc1cccc(C[N@H+](Cc2ccccn2)C2CC2)c1O ZINC000290394252 521332725 /nfs/dbraw/zinc/33/27/25/521332725.db2.gz JABUDYOEODTZGE-UHFFFAOYSA-N 1 0 298.386 3.351 20 10 CGCDRO CCOc1cccc(C[NH2+]Cc2cccs2)c1O ZINC000020139058 521367073 /nfs/dbraw/zinc/36/70/73/521367073.db2.gz CSMXMLPBISJDAV-UHFFFAOYSA-N 1 0 263.362 3.142 20 10 CGCDRO CCC(O)(CC)CC[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000276718599 521652436 /nfs/dbraw/zinc/65/24/36/521652436.db2.gz WJGZFGYXUQZVPX-NSHDSACASA-N 1 0 269.360 3.123 20 10 CGCDRO CCCN(C[C@H]1CCSC1)c1ccc(C[NH3+])cc1 ZINC000278659151 521677755 /nfs/dbraw/zinc/67/77/55/521677755.db2.gz MNUDKKMXCCZJQO-CQSZACIVSA-N 1 0 264.438 3.115 20 10 CGCDRO CCC[N@H+](Cc1ccc(F)cn1)Cc1ccccc1O ZINC000276218191 521684246 /nfs/dbraw/zinc/68/42/46/521684246.db2.gz LSYMXFBRPNQMDY-UHFFFAOYSA-N 1 0 274.339 3.339 20 10 CGCDRO CCCN(Cc1ccnn1C(C)C)c1ccc(C[NH3+])cc1 ZINC000280578392 521692306 /nfs/dbraw/zinc/69/23/06/521692306.db2.gz MFRUZIAULKYRKA-UHFFFAOYSA-N 1 0 286.423 3.339 20 10 CGCDRO COC[C@@H]([NH2+]Cc1cc(C)c(C)cc1O)c1ccc(C)o1 ZINC000080238015 522360921 /nfs/dbraw/zinc/36/09/21/522360921.db2.gz ICOCLGFYNPNYLZ-OAHLLOKOSA-N 1 0 289.375 3.388 20 10 CGCDRO CC[C@H]([NH2+]CC(C)(C)CCO)c1ccc(C)cc1O ZINC000280287773 522569120 /nfs/dbraw/zinc/56/91/20/522569120.db2.gz YYQCGZKMWBJVAF-AWEZNQCLSA-N 1 0 265.397 3.150 20 10 CGCDRO CC[C@H]([NH2+]Cc1cn2ccsc2n1)c1ccccc1O ZINC000271654988 522662678 /nfs/dbraw/zinc/66/26/78/522662678.db2.gz BXHNXSHJDLHRNE-ZDUSSCGKSA-N 1 0 287.388 3.342 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@@H]1C)c1ccc(C)cc1O ZINC000279935207 522722628 /nfs/dbraw/zinc/72/26/28/522722628.db2.gz AXGNEEIQZALCNT-RRQGHBQHSA-N 1 0 288.435 3.224 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](C)[C@H](C)OC)c1ccc(C)cc1O ZINC000280038679 522911661 /nfs/dbraw/zinc/91/16/61/522911661.db2.gz ISSCKJQBEZELRR-SGMGOOAPSA-N 1 0 251.370 3.165 20 10 CGCDRO CC[C@H]1C[N@H+](Cc2cc(C)ccc2O)CCS1 ZINC000093502346 523282693 /nfs/dbraw/zinc/28/26/93/523282693.db2.gz DCTROWIHSZFZIF-ZDUSSCGKSA-N 1 0 251.395 3.028 20 10 CGCDRO CCn1cc([C@H](C)[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000274777264 523476195 /nfs/dbraw/zinc/47/61/95/523476195.db2.gz OIIZWLLSCWQJHE-KBPBESRZSA-N 1 0 286.423 3.381 20 10 CGCDRO CC[C@@](C)(CO)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000265759361 523647007 /nfs/dbraw/zinc/64/70/07/523647007.db2.gz JNFNGCQJNZGPQE-SFHVURJKSA-N 1 0 285.387 3.310 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@]2(C)CCCS2)c1 ZINC000133937638 524762045 /nfs/dbraw/zinc/76/20/45/524762045.db2.gz DVAHRCSOMCDXAY-ABAIWWIYSA-N 1 0 281.421 3.337 20 10 CGCDRO C[C@@H]([NH2+]CCOCC(F)F)c1cc2c(cc1O)CCCC2 ZINC000188753647 525451345 /nfs/dbraw/zinc/45/13/45/525451345.db2.gz MFDZFZMYMIOEBB-LLVKDONJSA-N 1 0 299.361 3.203 20 10 CGCDRO CSCCC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000069433095 525484686 /nfs/dbraw/zinc/48/46/86/525484686.db2.gz DSBLVDGUZFWKHG-GFCCVEGCSA-N 1 0 252.427 3.156 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cncs1 ZINC000128564117 525527017 /nfs/dbraw/zinc/52/70/17/525527017.db2.gz QHIIUZBHUWGVTN-LLVKDONJSA-N 1 0 261.394 3.060 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)[C@@H](O)c1ccccc1 ZINC000290406357 525604214 /nfs/dbraw/zinc/60/42/14/525604214.db2.gz TYMWOEJCJNAPKH-XWCIJXRUSA-N 1 0 289.350 3.304 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](CO)c2ccccc2)c(O)c1 ZINC000062999641 525742658 /nfs/dbraw/zinc/74/26/58/525742658.db2.gz PLLPJKWUUZMNCC-CJNGLKHVSA-N 1 0 271.360 3.085 20 10 CGCDRO COc1cccc(C[NH2+][C@H](C)Cc2cccs2)c1O ZINC000036992975 526036466 /nfs/dbraw/zinc/03/64/66/526036466.db2.gz IOXUWYBCSNRGJV-LLVKDONJSA-N 1 0 277.389 3.183 20 10 CGCDRO FC1(F)CC[C@H](C[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000281384715 526277756 /nfs/dbraw/zinc/27/77/56/526277756.db2.gz GVCITDBPSXUNFC-LBPRGKRZSA-N 1 0 267.319 3.147 20 10 CGCDRO Oc1cccc(Cl)c1C[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000275943573 526363758 /nfs/dbraw/zinc/36/37/58/526363758.db2.gz IOCZXIRGAQDDAJ-INIZCTEOSA-N 1 0 295.810 3.437 20 10 CGCDRO C[C@H](C[NH2+]Cc1c(O)cccc1Cl)N1CCC(C)CC1 ZINC000733326337 572556418 /nfs/dbraw/zinc/55/64/18/572556418.db2.gz XOJQDOHOJRUGBZ-CYBMUJFWSA-N 1 0 296.842 3.256 20 10 CGCDRO COc1cccc2c1OCC[C@@H]2[NH2+]Cc1cc(C)ccc1O ZINC000733331804 572557608 /nfs/dbraw/zinc/55/76/08/572557608.db2.gz ITJOEKCTPVMFSZ-HNNXBMFYSA-N 1 0 299.370 3.323 20 10 CGCDRO C[C@@H]1C[NH+](Cc2c(O)ccc3ccncc32)C[C@@H](C)S1 ZINC000743376734 572655133 /nfs/dbraw/zinc/65/51/33/572655133.db2.gz URHIAXFXNRBJDA-VXGBXAGGSA-N 1 0 288.416 3.266 20 10 CGCDRO COc1cccc(C[NH2+]Cc2ccnc3ccccc23)c1O ZINC000749110466 572989224 /nfs/dbraw/zinc/98/92/24/572989224.db2.gz IBBJSGKZZOPBKM-UHFFFAOYSA-N 1 0 294.354 3.239 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H]1CCC(C)(C)O1)c1ccccc1O ZINC000187842189 617640663 /nfs/dbraw/zinc/64/06/63/617640663.db2.gz XINPGRCKIONYFI-GXTWGEPZSA-N 1 0 263.381 3.391 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CC[C@H](C)C2)c1 ZINC000300309810 617778535 /nfs/dbraw/zinc/77/85/35/617778535.db2.gz ODVVTRMBWOGUOU-AVGNSLFASA-N 1 0 263.381 3.488 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2C[C@@H](C)CCC[C@@H]2C)cc1OC ZINC000160289054 617874016 /nfs/dbraw/zinc/87/40/16/617874016.db2.gz YVIYBUDPGRLAPW-STQMWFEESA-N 1 0 293.407 3.420 20 10 CGCDRO CC(C)[C@H](CNCc1c(O)cccc1Cl)[NH+]1CCCC1 ZINC000083551801 618009852 /nfs/dbraw/zinc/00/98/52/618009852.db2.gz BUQFSKKEPIODHV-HNNXBMFYSA-N 1 0 296.842 3.256 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(N(C)C)cc1 ZINC000161039363 618236986 /nfs/dbraw/zinc/23/69/86/618236986.db2.gz REKWXJJEGQCISP-ZVZYQTTQSA-N 1 0 289.467 3.276 20 10 CGCDRO CCn1ccc(C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)n1 ZINC000840840418 618246547 /nfs/dbraw/zinc/24/65/47/618246547.db2.gz KCNZOANHHSGRFH-MFKMUULPSA-N 1 0 289.354 3.086 20 10 CGCDRO CCn1ccc(C[NH2+][C@@H](C)c2cc(Cl)ccc2O)n1 ZINC000840841056 618261397 /nfs/dbraw/zinc/26/13/97/618261397.db2.gz QYPAKLKZUABRIO-JTQLQIEISA-N 1 0 279.771 3.113 20 10 CGCDRO CC1(C)C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C(C)(C)O1 ZINC000178403890 618373011 /nfs/dbraw/zinc/37/30/11/618373011.db2.gz WJOYPUVGZNRCJF-HNNXBMFYSA-N 1 0 275.392 3.057 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]CCN1CCCCCC1 ZINC000040767439 618395796 /nfs/dbraw/zinc/39/57/96/618395796.db2.gz ABHPIMCGDRIVHJ-UHFFFAOYSA-N 1 0 282.815 3.011 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCOC3(CCC3)C2)cc1 ZINC000093640635 618402367 /nfs/dbraw/zinc/40/23/67/618402367.db2.gz GFMFBFWTWRMJOV-UHFFFAOYSA-N 1 0 288.435 3.288 20 10 CGCDRO COc1cccc(C[NH2+]C[C@H](C)C(C)(C)C)c1O ZINC000096610223 618444176 /nfs/dbraw/zinc/44/41/76/618444176.db2.gz CFAAIPKLIGCBPC-NSHDSACASA-N 1 0 251.370 3.173 20 10 CGCDRO Oc1ccccc1C[NH2+][C@H]1CCc2ccccc2C1 ZINC000051630618 618616210 /nfs/dbraw/zinc/61/62/10/618616210.db2.gz IAEPXCHTPIVPSD-INIZCTEOSA-N 1 0 253.345 3.039 20 10 CGCDRO CO[C@@](C)([C@H](C)[NH2+][C@H](C)c1cc(F)ccc1O)C1CC1 ZINC000840858849 618694000 /nfs/dbraw/zinc/69/40/00/618694000.db2.gz HCKHEOFGUGOADN-GDLVEWKHSA-N 1 0 281.371 3.386 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCCOCC(F)(F)F)c1 ZINC000184992716 625289314 /nfs/dbraw/zinc/28/93/14/625289314.db2.gz VEWTVNNWBMBYIT-NSHDSACASA-N 1 0 291.313 3.320 20 10 CGCDRO CO[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(C)c(C)cc1O ZINC000278745478 618761006 /nfs/dbraw/zinc/76/10/06/618761006.db2.gz MUMVHPUGGXTMGS-GDBMZVCRSA-N 1 0 263.381 3.056 20 10 CGCDRO Cc1cccc(CC[NH2+]Cc2c(O)cccc2Cl)n1 ZINC000280689380 618761692 /nfs/dbraw/zinc/76/16/92/618761692.db2.gz VQBAVVNCVGLNHO-UHFFFAOYSA-N 1 0 276.767 3.081 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CCC(F)(F)C1)c1cc(F)ccc1O ZINC000310948120 618879794 /nfs/dbraw/zinc/87/97/94/618879794.db2.gz LIUIOQPJXJNLKQ-SCZZXKLOSA-N 1 0 259.271 3.370 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C2(CO)CCCCC2)cc1 ZINC000053096272 618881236 /nfs/dbraw/zinc/88/12/36/618881236.db2.gz AZAQUDOKUKQSKY-UHFFFAOYSA-N 1 0 290.451 3.318 20 10 CGCDRO CC(C)(C)[C@H]1CC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC000163869084 618891580 /nfs/dbraw/zinc/89/15/80/618891580.db2.gz PTNVGHDMOJYAPW-LBPRGKRZSA-N 1 0 251.345 3.399 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCc2nccs2)c(Cl)c1 ZINC000840886923 618892027 /nfs/dbraw/zinc/89/20/27/618892027.db2.gz OINRXZYOKSHQDC-UHFFFAOYSA-N 1 0 282.796 3.143 20 10 CGCDRO CSCCCC[NH2+][C@H](C)c1cc(F)ccc1O ZINC000168785313 618914231 /nfs/dbraw/zinc/91/42/31/618914231.db2.gz XZVZKQJZPSVZKN-SNVBAGLBSA-N 1 0 257.374 3.325 20 10 CGCDRO Cc1cc(F)ncc1C[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000892733625 618927409 /nfs/dbraw/zinc/92/74/09/618927409.db2.gz RHDOQPHZBIGTFX-UHFFFAOYSA-N 1 0 299.393 3.201 20 10 CGCDRO Oc1cc(Cl)cc(C[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000892792865 618936849 /nfs/dbraw/zinc/93/68/49/618936849.db2.gz HZCKMOIDPQUUEU-UHFFFAOYSA-N 1 0 289.762 3.270 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)cc1 ZINC000178312345 618938622 /nfs/dbraw/zinc/93/86/22/618938622.db2.gz LULTWDKLPVDVCG-DXEWXGHRSA-N 1 0 274.408 3.113 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CCCCC2(C)C)c(O)c1OC ZINC000893137798 619003862 /nfs/dbraw/zinc/00/38/62/619003862.db2.gz FGMUYAURBIQMFL-CQSZACIVSA-N 1 0 293.407 3.468 20 10 CGCDRO COc1ccc(O)c(C[N@H+]([C@H](C)C(C)C)C2CC2)c1 ZINC000183446520 619044754 /nfs/dbraw/zinc/04/47/54/619044754.db2.gz PCXNCLWJOSETOT-GFCCVEGCSA-N 1 0 263.381 3.410 20 10 CGCDRO Cc1nccnc1[C@H](C)[NH2+]CCCSc1nccs1 ZINC000188036156 619082329 /nfs/dbraw/zinc/08/23/29/619082329.db2.gz YPFUXOXVCRQZRM-JTQLQIEISA-N 1 0 294.449 3.075 20 10 CGCDRO COc1ccc(O)c(C[N@H+]2Cc3ccccc3O[C@@H](C)C2)c1 ZINC000014990071 619111221 /nfs/dbraw/zinc/11/12/21/619111221.db2.gz FPTFKTUYCUYPPG-ZDUSSCGKSA-N 1 0 299.370 3.184 20 10 CGCDRO CC[C@H](C[C@H](C)CO)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000776219523 619117233 /nfs/dbraw/zinc/11/72/33/619117233.db2.gz OTFPZABMZRKCNA-JOYOIKCWSA-N 1 0 289.778 3.071 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+]CC2(CO)CCCCC2)c1O ZINC000776229462 619118142 /nfs/dbraw/zinc/11/81/42/619118142.db2.gz CNVIJSBRIKZLMG-UHFFFAOYSA-N 1 0 297.826 3.386 20 10 CGCDRO CCC[N@H+](Cc1cnc(CC)nc1)Cc1ccccc1O ZINC000840912210 619122344 /nfs/dbraw/zinc/12/23/44/619122344.db2.gz CLMRSITVMMEJIK-UHFFFAOYSA-N 1 0 285.391 3.157 20 10 CGCDRO C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000020090756 619133570 /nfs/dbraw/zinc/13/35/70/619133570.db2.gz LOORXFNTFGHTBC-MAUKXSAKSA-N 1 0 288.435 3.192 20 10 CGCDRO CC[C@H]([NH2+]CCCOC(F)F)c1ccc(N(C)C)cc1 ZINC000194036576 619136336 /nfs/dbraw/zinc/13/63/36/619136336.db2.gz ULZGFOWDVXPTIE-AWEZNQCLSA-N 1 0 286.366 3.423 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)[C@@H]2CCCO2)cc1 ZINC000020208506 619141819 /nfs/dbraw/zinc/14/18/19/619141819.db2.gz ZMOOJRQWBDERIM-PBHICJAKSA-N 1 0 276.424 3.190 20 10 CGCDRO CCC[C@H](C)[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000777401953 619151702 /nfs/dbraw/zinc/15/17/02/619151702.db2.gz UMBIVBAKXNWREN-AWEZNQCLSA-N 1 0 262.397 3.006 20 10 CGCDRO C[C@H]([NH2+]CCc1ccnn1C)c1ccc2ccccc2c1O ZINC000184009270 619162177 /nfs/dbraw/zinc/16/21/77/619162177.db2.gz ZHNQECVRHRAMSR-ZDUSSCGKSA-N 1 0 295.386 3.172 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](COC)C2)cc1 ZINC000093338100 619185699 /nfs/dbraw/zinc/18/56/99/619185699.db2.gz JPVQNSHKJHUQFI-KRWDZBQOSA-N 1 0 290.451 3.391 20 10 CGCDRO CC(C)[C@H](C[NH2+][C@@H](C)c1ccccc1O)c1ccnn1C ZINC000788260104 619214568 /nfs/dbraw/zinc/21/45/68/619214568.db2.gz SWLSCVBQDMRCJD-ZFWWWQNUSA-N 1 0 287.407 3.216 20 10 CGCDRO Cc1noc(CC[NH2+][C@H](C)c2ccc3ccccc3c2O)n1 ZINC000185972354 619223464 /nfs/dbraw/zinc/22/34/64/619223464.db2.gz YPPXKGXWEPNTBY-LLVKDONJSA-N 1 0 297.358 3.130 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)CN(C)C(C)C)cc1 ZINC000314951432 619239108 /nfs/dbraw/zinc/23/91/08/619239108.db2.gz NWNIIBMLPBKALG-INIZCTEOSA-N 1 0 291.483 3.351 20 10 CGCDRO Cc1cc(O)c(C[NH+]2CCC3(CCO3)CC2)c(Cl)c1 ZINC000840942952 619240906 /nfs/dbraw/zinc/24/09/06/619240906.db2.gz NDFMEKARGUTTHP-UHFFFAOYSA-N 1 0 281.783 3.109 20 10 CGCDRO CO[C@](C)([C@H](C)[NH2+]Cc1cc(C)c(C)cc1O)C1CC1 ZINC000840961307 619281188 /nfs/dbraw/zinc/28/11/88/619281188.db2.gz UXNYZHGEULJENR-SUMWQHHRSA-N 1 0 277.408 3.302 20 10 CGCDRO Cc1cc(C[NH2+]CC2(C)COC2)c(C)n1-c1ccccc1 ZINC000094721904 619286814 /nfs/dbraw/zinc/28/68/14/619286814.db2.gz ZEBLQMUTTSLMFG-UHFFFAOYSA-N 1 0 284.403 3.220 20 10 CGCDRO C[C@H]([NH2+]CCCSc1nccs1)c1cccnc1 ZINC000092750580 619287468 /nfs/dbraw/zinc/28/74/68/619287468.db2.gz BYUDQKZTNJEPMR-NSHDSACASA-N 1 0 279.434 3.371 20 10 CGCDRO COc1cccc(C[NH2+]C[C@@H](C)C(C)(C)C)c1O ZINC000096610224 619311441 /nfs/dbraw/zinc/31/14/41/619311441.db2.gz CFAAIPKLIGCBPC-LLVKDONJSA-N 1 0 251.370 3.173 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2CCCC(C)(C)C2)c(O)c1OC ZINC000893907111 619328558 /nfs/dbraw/zinc/32/85/58/619328558.db2.gz DPRBPXGVYYSJJS-ZDUSSCGKSA-N 1 0 293.407 3.468 20 10 CGCDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C12CCC2 ZINC000236987919 619383144 /nfs/dbraw/zinc/38/31/44/619383144.db2.gz FTUWPOJYLJUVCG-IRXDYDNUSA-N 1 0 289.419 3.441 20 10 CGCDRO CC[C@H](C)[C@](C)(O)C[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC000237007873 619384953 /nfs/dbraw/zinc/38/49/53/619384953.db2.gz LIZQUQRAHOYZGC-MAUKXSAKSA-N 1 0 292.467 3.420 20 10 CGCDRO COc1cc(C)cc(C[NH2+]CC(C2CC2)C2CC2)c1O ZINC000894315982 619488284 /nfs/dbraw/zinc/48/82/84/619488284.db2.gz UJZVUIPUTSEZFM-UHFFFAOYSA-N 1 0 275.392 3.235 20 10 CGCDRO CC[C@H]([NH2+][C@H](CO)CC(C)C)c1ccc(N(C)C)cc1 ZINC000151194727 619502125 /nfs/dbraw/zinc/50/21/25/619502125.db2.gz MEEDLUPMDWYGTH-RDJZCZTQSA-N 1 0 278.440 3.200 20 10 CGCDRO CCN1CCCC[C@@H]1C[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000185418005 625356837 /nfs/dbraw/zinc/35/68/37/625356837.db2.gz CSPAAOTYDHYLGZ-LSDHHAIUSA-N 1 0 276.424 3.226 20 10 CGCDRO CC[N@H+](Cc1ccc(OC)c(OC)c1O)CC(C)(C)C ZINC000894575705 619579497 /nfs/dbraw/zinc/57/94/97/619579497.db2.gz VEJVJZUSDBPMHS-UHFFFAOYSA-N 1 0 281.396 3.277 20 10 CGCDRO CCCC[N@H+](Cc1ocnc1C)Cc1ccccc1O ZINC000894679041 619602020 /nfs/dbraw/zinc/60/20/20/619602020.db2.gz JFDWWFAIFOIZAV-UHFFFAOYSA-N 1 0 274.364 3.491 20 10 CGCDRO COc1ccc(C[NH2+][C@H](C)CC(C)(C)C)c(O)c1OC ZINC000894807704 619640171 /nfs/dbraw/zinc/64/01/71/619640171.db2.gz WAMZEYSLUZFPAG-LLVKDONJSA-N 1 0 281.396 3.324 20 10 CGCDRO OC[C@@H](CC1CCC1)[NH2+]Cc1ccc2ccccc2c1O ZINC000894835124 619647798 /nfs/dbraw/zinc/64/77/98/619647798.db2.gz RVTRDHAORNXBFS-MRXNPFEDSA-N 1 0 285.387 3.186 20 10 CGCDRO COc1cc(C)cc(C[NH2+]C2(C3(C)CC3)CC2)c1O ZINC000894915527 619682930 /nfs/dbraw/zinc/68/29/30/619682930.db2.gz CNUPUZTUXNGELA-UHFFFAOYSA-N 1 0 261.365 3.132 20 10 CGCDRO COc1cc(C)cc(C[NH2+]CCOCC2CCCC2)c1O ZINC000894968009 619689150 /nfs/dbraw/zinc/68/91/50/619689150.db2.gz RZVHQDHFNJSWKI-UHFFFAOYSA-N 1 0 293.407 3.006 20 10 CGCDRO CN(CCC[NH2+][C@H]1CCc2cccc(O)c21)c1ccccc1 ZINC000320112429 619743749 /nfs/dbraw/zinc/74/37/49/619743749.db2.gz MWFRPRMSYOEWAL-KRWDZBQOSA-N 1 0 296.414 3.496 20 10 CGCDRO COc1cc(C)cc(C[NH2+]C2CC3(CCC3)C2)c1O ZINC000895148969 619756013 /nfs/dbraw/zinc/75/60/13/619756013.db2.gz BAUWVWXCMNKMIA-UHFFFAOYSA-N 1 0 261.365 3.132 20 10 CGCDRO COc1ccc(O)c(C[NH2+]Cc2ccc(Cl)cc2)c1 ZINC000020209964 619770094 /nfs/dbraw/zinc/77/00/94/619770094.db2.gz VZDPKFCUIHXEJU-UHFFFAOYSA-N 1 0 277.751 3.344 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@H]2CCc3ccc(O)cc32)c1O ZINC000895278512 619794371 /nfs/dbraw/zinc/79/43/71/619794371.db2.gz LGGIEPCJUMXORO-INIZCTEOSA-N 1 0 299.370 3.192 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2nccn2CC(C)C)c1 ZINC000185545848 625374751 /nfs/dbraw/zinc/37/47/51/625374751.db2.gz IUSHWAIRTXHNTH-AWEZNQCLSA-N 1 0 287.407 3.404 20 10 CGCDRO Oc1c(C[NH+]2CCC(F)CC2)ccc2ccccc21 ZINC000895547374 619843684 /nfs/dbraw/zinc/84/36/84/619843684.db2.gz WICJWVAEPRKHDR-UHFFFAOYSA-N 1 0 259.324 3.479 20 10 CGCDRO CC(C)([NH2+]Cc1ccc2c(c1)CCO2)[C@H](O)c1ccccc1 ZINC000895659367 619865501 /nfs/dbraw/zinc/86/55/01/619865501.db2.gz WECAMJGTJQSGSY-GOSISDBHSA-N 1 0 297.398 3.223 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cc(C)cc(OC)c1O)[C@@H]1CCCOC1 ZINC000895663750 619866483 /nfs/dbraw/zinc/86/64/83/619866483.db2.gz MWVFKUNCMMXRNS-UKRRQHHQSA-N 1 0 293.407 3.004 20 10 CGCDRO COc1ccc(C[N@@H+]2CCCC3(CC3)CC2)c(O)c1OC ZINC000895665305 619868320 /nfs/dbraw/zinc/86/83/20/619868320.db2.gz GHOQSAMLOSANPK-UHFFFAOYSA-N 1 0 291.391 3.176 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1C[C@]1(C)Br)c1ccccc1O ZINC000895850969 619897450 /nfs/dbraw/zinc/89/74/50/619897450.db2.gz HKPUAPHKKVTDJQ-KWBADKCTSA-N 1 0 284.197 3.216 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2C[C@@H]3C[C@]3(c3ccccc3)C2)c1 ZINC000896233798 619972722 /nfs/dbraw/zinc/97/27/22/619972722.db2.gz WYTYUFPKLOBNFI-QFBILLFUSA-N 1 0 295.382 3.174 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]Cc1ccc2c(c1)C[C@@H](C)O2 ZINC000896829180 620072899 /nfs/dbraw/zinc/07/28/99/620072899.db2.gz PKOAFYPPRUNXIU-CYBMUJFWSA-N 1 0 283.371 3.314 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]C[C@H]1CCCC2(CCC2)O1 ZINC000896919542 620101107 /nfs/dbraw/zinc/10/11/07/620101107.db2.gz ZTOHQTZHMNLJLZ-CQSZACIVSA-N 1 0 279.355 3.113 20 10 CGCDRO Cc1cc(O)c(C[NH+]2CCC(O)(C3CCC3)CC2)cc1C ZINC000897034330 620123472 /nfs/dbraw/zinc/12/34/72/620123472.db2.gz KJMVASHXWHEWDL-UHFFFAOYSA-N 1 0 289.419 3.136 20 10 CGCDRO Cc1csc(C[C@@H]2CC[N@H+](Cc3ccccc3O)C2)n1 ZINC000897298991 620185530 /nfs/dbraw/zinc/18/55/30/620185530.db2.gz PXUSYIPLWAOYQS-ZDUSSCGKSA-N 1 0 288.416 3.222 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+][C@@H](C)Cc2ccco2)c1O ZINC000228670675 620268718 /nfs/dbraw/zinc/26/87/18/620268718.db2.gz BFYSVNRSMUMEEF-JTQLQIEISA-N 1 0 295.766 3.368 20 10 CGCDRO COc1ccc(O)c(C[NH2+]Cc2cccc3cc[nH]c32)c1 ZINC000237361015 620370214 /nfs/dbraw/zinc/37/02/14/620370214.db2.gz ZQMCVKVOQCISIC-UHFFFAOYSA-N 1 0 282.343 3.172 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)c1 ZINC000897748822 620423323 /nfs/dbraw/zinc/42/33/23/620423323.db2.gz GSGCQRCLCSVQCY-LQDVMPOASA-N 1 0 293.432 3.307 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCSC(C)(C)C2)c1 ZINC000897797741 620433456 /nfs/dbraw/zinc/43/34/56/620433456.db2.gz LAHNGUZMJHFDOA-CYBMUJFWSA-N 1 0 265.422 3.464 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@@H]32)c1 ZINC000897960207 620456986 /nfs/dbraw/zinc/45/69/86/620456986.db2.gz ZSEIJRMKUUNPMZ-YODMDTAWSA-N 1 0 261.365 3.240 20 10 CGCDRO C[C@H](Cc1cccnc1)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000897965921 620458228 /nfs/dbraw/zinc/45/82/28/620458228.db2.gz YQAYNGZFRNUVMR-CQSZACIVSA-N 1 0 282.387 3.127 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+][C@@H]1CCOC12CCCC2 ZINC000898111697 620479167 /nfs/dbraw/zinc/47/91/67/620479167.db2.gz FWCZHSGRZITQCT-CQSZACIVSA-N 1 0 281.783 3.237 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCc1cccnc1C ZINC000898252067 620497580 /nfs/dbraw/zinc/49/75/80/620497580.db2.gz WYEDAIRFRNNTAP-UHFFFAOYSA-N 1 0 283.419 3.097 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CC=CC[C@H]2C)c1 ZINC000898223739 620498790 /nfs/dbraw/zinc/49/87/90/620498790.db2.gz DQGVTPIKJAGGOR-LALPHHSUSA-N 1 0 261.365 3.406 20 10 CGCDRO CCC[C@H](O)CC[NH2+][C@H](CC)c1ccc(C)cc1O ZINC000927014544 620561087 /nfs/dbraw/zinc/56/10/87/620561087.db2.gz CTQJOAYDSFMRGA-DZGCQCFKSA-N 1 0 265.397 3.292 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@]2(C)CCCCO2)c1 ZINC000927017594 620562219 /nfs/dbraw/zinc/56/22/19/620562219.db2.gz JTGRLBGBEHFESM-XJKSGUPXSA-N 1 0 263.381 3.310 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC000898512162 620594061 /nfs/dbraw/zinc/59/40/61/620594061.db2.gz IINYIGTWHHMGBR-HZPDHXFCSA-N 1 0 289.419 3.339 20 10 CGCDRO CC[C@H](N[C@@H]1C[NH2+]CC1(C)C)c1cccc(Cl)c1[O-] ZINC000902447286 621328354 /nfs/dbraw/zinc/32/83/54/621328354.db2.gz YGBPEEAHZGPSHV-QWHCGFSZSA-N 1 0 282.815 3.084 20 10 CGCDRO CO[C@H]1CC[C@@H]1[N@H+](C)Cc1c(O)ccc2ccccc21 ZINC000902634656 621389766 /nfs/dbraw/zinc/38/97/66/621389766.db2.gz OUECROFMQIDGGV-RDJZCZTQSA-N 1 0 271.360 3.155 20 10 CGCDRO C[C@H]([NH2+]Cc1cc(N(C)C)ccn1)c1ccc(N(C)C)cc1 ZINC000903200958 621624465 /nfs/dbraw/zinc/62/44/65/621624465.db2.gz DBPAYCBKUVCQFP-AWEZNQCLSA-N 1 0 298.434 3.064 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCO[C@H]2C2CC2)c(O)c1C ZINC000903265838 621653070 /nfs/dbraw/zinc/65/30/70/621653070.db2.gz OXWZYFSEJHYKPG-VMGRFDJRSA-N 1 0 275.392 3.227 20 10 CGCDRO CC[C@H]([NH2+]Cc1cnn(CCF)c1)c1ccc(C)cc1O ZINC000903274983 621658169 /nfs/dbraw/zinc/65/81/69/621658169.db2.gz UYWYTYPSJHLUND-HNNXBMFYSA-N 1 0 291.370 3.108 20 10 CGCDRO C[C@@H]([NH2+]C[C@@]1(c2ccccc2)C[C@@H](O)C1)c1ccccc1O ZINC000903277064 621659648 /nfs/dbraw/zinc/65/96/48/621659648.db2.gz UUODNAPQRYKWAP-IDHHARJASA-N 1 0 297.398 3.136 20 10 CGCDRO COC(C)(C)[C@H](C)[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000903333451 621689352 /nfs/dbraw/zinc/68/93/52/621689352.db2.gz ZTVWZRVZXACOCM-STQMWFEESA-N 1 0 265.397 3.473 20 10 CGCDRO CC1(C)CCC[C@@H](C[NH2+][C@@H]2CCc3cccc(O)c32)O1 ZINC000903356099 621713161 /nfs/dbraw/zinc/71/31/61/621713161.db2.gz OUDGEHWCUYQUAA-UONOGXRCSA-N 1 0 275.392 3.317 20 10 CGCDRO COc1ccc(O)c(C[NH2+]Cc2cccc3c2CCCN3)c1 ZINC000841083036 622331539 /nfs/dbraw/zinc/33/15/39/622331539.db2.gz MADWKBYDVIYQEG-UHFFFAOYSA-N 1 0 298.386 3.049 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H]1CCCS1)c1ccccc1O ZINC000149724933 622375692 /nfs/dbraw/zinc/37/56/92/622375692.db2.gz OQBUFTRHZCCMIA-DGCLKSJQSA-N 1 0 251.395 3.329 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1CCCS1)c1ccc(N(C)C)cc1 ZINC000149725547 622376363 /nfs/dbraw/zinc/37/63/63/622376363.db2.gz RUCNLGHOYGVYMD-WFASDCNBSA-N 1 0 264.438 3.299 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@@H]1CCCCS1)CC2 ZINC000311158996 622889659 /nfs/dbraw/zinc/88/96/59/622889659.db2.gz LOAMUDWMUOLLSW-STQMWFEESA-N 1 0 263.406 3.255 20 10 CGCDRO CN(CCC[NH2+]Cc1cc(F)ccc1O)c1ccccc1 ZINC000226582585 622983556 /nfs/dbraw/zinc/98/35/56/622983556.db2.gz UNIBPINPRNDQAR-UHFFFAOYSA-N 1 0 288.366 3.147 20 10 CGCDRO COc1cccc(C[NH2+]C[C@H]2CCC[C@H](C)C2)c1O ZINC000227439633 623019219 /nfs/dbraw/zinc/01/92/19/623019219.db2.gz AOOKKEIZTCUXLI-STQMWFEESA-N 1 0 263.381 3.317 20 10 CGCDRO CO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(C)cc2O)C1(C)C ZINC000230665863 623258319 /nfs/dbraw/zinc/25/83/19/623258319.db2.gz IMCSYSVDZIBPKS-TUKIKUTGSA-N 1 0 263.381 3.165 20 10 CGCDRO Cc1nc(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])cs1 ZINC000062748076 623266075 /nfs/dbraw/zinc/26/60/75/623266075.db2.gz KNEWUXVBVBRILJ-QMMMGPOBSA-N 1 0 266.341 3.147 20 10 CGCDRO C[C@H]([NH2+]CCN1CCCCCC1)c1ccc(F)cc1[O-] ZINC000062748034 623266266 /nfs/dbraw/zinc/26/62/66/623266266.db2.gz VGPPWRSPOSVMET-ZDUSSCGKSA-N 1 0 280.387 3.058 20 10 CGCDRO C[N@H+](Cc1cccc(Cl)n1)Cc1ccccc1O ZINC000173359074 623320560 /nfs/dbraw/zinc/32/05/60/623320560.db2.gz XOLDVOOSNBAUNE-UHFFFAOYSA-N 1 0 262.740 3.073 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)CC(F)(F)F)c1 ZINC000231791105 623343435 /nfs/dbraw/zinc/34/34/35/623343435.db2.gz IESOXQPCJYHXJH-DTWKUNHWSA-N 1 0 277.286 3.392 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]C[C@@H]1CC=CCC1 ZINC000083552233 625648460 /nfs/dbraw/zinc/64/84/60/625648460.db2.gz JFUOLBJBSVHQMU-LLVKDONJSA-N 1 0 251.757 3.492 20 10 CGCDRO COC[C@H]([NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)C1CC1 ZINC000186153886 625679275 /nfs/dbraw/zinc/67/92/75/625679275.db2.gz TVWMHUBDDRHWMA-SJCJKPOMSA-N 1 0 289.419 3.347 20 10 CGCDRO COc1cccc(C[NH2+][C@@H](C2CC2)C2CCC2)c1O ZINC000324633339 624068708 /nfs/dbraw/zinc/06/87/08/624068708.db2.gz AZLOEOBBPCWESJ-OAHLLOKOSA-N 1 0 261.365 3.069 20 10 CGCDRO COc1cccc(C[NH2+][C@H](C2CC2)C2CCC2)c1O ZINC000324633338 624069083 /nfs/dbraw/zinc/06/90/83/624069083.db2.gz AZLOEOBBPCWESJ-HNNXBMFYSA-N 1 0 261.365 3.069 20 10 CGCDRO CCC[C@@H]([NH2+]Cc1ccc(OC)cc1O)C1CCC1 ZINC000324654906 624107554 /nfs/dbraw/zinc/10/75/54/624107554.db2.gz KBBMLYZLNBLKSZ-OAHLLOKOSA-N 1 0 263.381 3.459 20 10 CGCDRO COCC[N@H+](C)Cc1cc(C)cc(C(C)(C)C)c1O ZINC000921048247 624565223 /nfs/dbraw/zinc/56/52/23/624565223.db2.gz NQZUKHFTQMQBNK-UHFFFAOYSA-N 1 0 265.397 3.076 20 10 CGCDRO CC(C)[N@H+](CCc1nccs1)Cc1ccccc1O ZINC000179581986 624666657 /nfs/dbraw/zinc/66/66/57/624666657.db2.gz HSDBGXHOPFPZRD-UHFFFAOYSA-N 1 0 276.405 3.302 20 10 CGCDRO Cc1ccc(O)c(C[N@H+](C)Cc2ccc(F)cc2)c1 ZINC000179646904 624673838 /nfs/dbraw/zinc/67/38/38/624673838.db2.gz WZKWKXXLPGXUKA-UHFFFAOYSA-N 1 0 259.324 3.472 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)c1 ZINC000179705502 624678356 /nfs/dbraw/zinc/67/83/56/624678356.db2.gz QCHNKUPKTVABED-INIZCTEOSA-N 1 0 297.398 3.465 20 10 CGCDRO CCC[N@@H+](Cc1cccc(C)c1O)C[C@@H]1CCCCO1 ZINC000180068451 624714788 /nfs/dbraw/zinc/71/47/88/624714788.db2.gz IJPSEKTYEAJNQX-INIZCTEOSA-N 1 0 277.408 3.482 20 10 CGCDRO CCOc1cccc(C[NH2+]Cc2ccccc2F)c1O ZINC000019949988 634407334 /nfs/dbraw/zinc/40/73/34/634407334.db2.gz FTMKKSBKNBFXLN-UHFFFAOYSA-N 1 0 275.323 3.220 20 10 CGCDRO C[C@@H]([NH2+]Cc1nccn1C)c1ccc2ccccc2c1O ZINC000071273020 625069707 /nfs/dbraw/zinc/06/97/07/625069707.db2.gz NPEILIMCQAQFHJ-GFCCVEGCSA-N 1 0 281.359 3.130 20 10 CGCDRO C[C@@H]([NH2+]CCN(C)C1CCCC1)c1ccc(N(C)C)cc1 ZINC000071376942 625081802 /nfs/dbraw/zinc/08/18/02/625081802.db2.gz GJWBCIJQUGKNHU-OAHLLOKOSA-N 1 0 289.467 3.278 20 10 CGCDRO CC(C)CC[C@@](C)(O)C[NH2+][C@@H](C)c1ccccc1O ZINC000183526446 625089414 /nfs/dbraw/zinc/08/94/14/625089414.db2.gz PLUIMHPVWNZIHJ-XJKSGUPXSA-N 1 0 265.397 3.230 20 10 CGCDRO C[C@@](CO)([NH2+]Cc1ccc2c(c1)CCCO2)c1ccccc1 ZINC000921746493 625862291 /nfs/dbraw/zinc/86/22/91/625862291.db2.gz ITIZYPMARXYWGA-IBGZPJMESA-N 1 0 297.398 3.009 20 10 CGCDRO CSCC[C@H](C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921757802 625865504 /nfs/dbraw/zinc/86/55/04/625865504.db2.gz UCWSBOQQMWHBOJ-LBPRGKRZSA-N 1 0 265.422 3.243 20 10 CGCDRO CC(C)C[C@H](CCO)C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921807376 625883371 /nfs/dbraw/zinc/88/33/71/625883371.db2.gz POLNVAKXIMIWMQ-INIZCTEOSA-N 1 0 291.435 3.146 20 10 CGCDRO CCN1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000756357243 625899507 /nfs/dbraw/zinc/89/95/07/625899507.db2.gz LTWRBZIHJGDNQZ-LSDHHAIUSA-N 1 0 276.424 3.144 20 10 CGCDRO c1cc2c(cc1C[NH2+][C@@H]1CCO[C@H](C3CC3)C1)CCCO2 ZINC000922002154 625958061 /nfs/dbraw/zinc/95/80/61/625958061.db2.gz VWQZQBKIMATLSM-AEFFLSMTSA-N 1 0 287.403 3.059 20 10 CGCDRO CC[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)CCO1 ZINC000922192822 625982305 /nfs/dbraw/zinc/98/23/05/625982305.db2.gz XYUDCNWUBULAQG-HZPDHXFCSA-N 1 0 275.392 3.059 20 10 CGCDRO c1cc2c(cc1C[NH2+]C[C@@H]1C[C@H]3CCC[C@@H]3O1)CCCO2 ZINC000922325133 625998144 /nfs/dbraw/zinc/99/81/44/625998144.db2.gz XZHNESCSNXLTDJ-RYRKJORJSA-N 1 0 287.403 3.059 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@H](c2ccccn2)C2CC2)cc1 ZINC000922584710 626016824 /nfs/dbraw/zinc/01/68/24/626016824.db2.gz FGFOZKFNCOSAPP-SFHVURJKSA-N 1 0 281.403 3.389 20 10 CGCDRO C[C@H]1COC[C@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000922643977 626023336 /nfs/dbraw/zinc/02/33/36/626023336.db2.gz YJCXUBJVXWHUKU-SUMWQHHRSA-N 1 0 283.371 3.184 20 10 CGCDRO C[C@H]1COC[C@@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000922643976 626023728 /nfs/dbraw/zinc/02/37/28/626023728.db2.gz YJCXUBJVXWHUKU-GUYCJALGSA-N 1 0 283.371 3.184 20 10 CGCDRO COc1cccc(C[NH2+]C(C)(C)/C=C/Cl)c1O ZINC000922649846 626026238 /nfs/dbraw/zinc/02/62/38/626026238.db2.gz ZOHVOCAYEOYWFZ-BQYQJAHWSA-N 1 0 255.745 3.022 20 10 CGCDRO C[C@@H]([NH2+]C[C@@]1(C)CCOC1)c1cc(Cl)ccc1O ZINC000756572818 626096898 /nfs/dbraw/zinc/09/68/98/626096898.db2.gz ILINRZLXZQJWKG-QMTHXVAHSA-N 1 0 269.772 3.123 20 10 CGCDRO COc1cccc(O)c1C[NH2+]C[C@H]1CC(C)(C)OC1(C)C ZINC000922951299 626106643 /nfs/dbraw/zinc/10/66/43/626106643.db2.gz MUKOQJIIKPBRQF-GFCCVEGCSA-N 1 0 293.407 3.084 20 10 CGCDRO c1cc2c(cc1C[NH2+]C1([C@H]3CCCCO3)CC1)CCCO2 ZINC000923025461 626120819 /nfs/dbraw/zinc/12/08/19/626120819.db2.gz RNVNCEAAUCWEGA-QGZVFWFLSA-N 1 0 287.403 3.203 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccc3c(n2)CCC3)cc1 ZINC000838781023 626252535 /nfs/dbraw/zinc/25/25/35/626252535.db2.gz KXEIQNKMUIKFHZ-UHFFFAOYSA-N 1 0 295.430 3.268 20 10 CGCDRO Oc1ccccc1C[NH+]1CC(Cc2ccccc2)C1 ZINC000839128979 626321074 /nfs/dbraw/zinc/32/10/74/626321074.db2.gz VEZFNJDXQYWKBG-UHFFFAOYSA-N 1 0 253.345 3.067 20 10 CGCDRO CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)c(O)c1 ZINC000839186358 626327511 /nfs/dbraw/zinc/32/75/11/626327511.db2.gz JJSSQKQAMNRJJH-BYCMXARLSA-N 1 0 261.365 3.069 20 10 CGCDRO Cc1cccc(C[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)c1O ZINC000839191837 626328730 /nfs/dbraw/zinc/32/87/30/626328730.db2.gz KLZNPLIQTYURGW-DLBZAZTESA-N 1 0 289.419 3.074 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CC2(CO)CCCCC2)cc1C ZINC000751509300 626393570 /nfs/dbraw/zinc/39/35/70/626393570.db2.gz IHNOSCDGPMUTRV-UHFFFAOYSA-N 1 0 277.408 3.041 20 10 CGCDRO Cc1cc(C[NH2+][C@@H]2CCOC2)c(C)n1-c1cccc(C)c1 ZINC000752098807 626419082 /nfs/dbraw/zinc/41/90/82/626419082.db2.gz BYUMMRSWDGPSIM-QGZVFWFLSA-N 1 0 284.403 3.281 20 10 CGCDRO C[C@H]([NH2+]Cc1ccccc1O)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000752264383 626423123 /nfs/dbraw/zinc/42/31/23/626423123.db2.gz CXNLHNMEINTBKP-ZJNRKIDTSA-N 1 0 283.371 3.435 20 10 CGCDRO COc1cccc(O)c1C[N@H+](C)C[C@H]1CC=CCC1 ZINC000753577356 626456466 /nfs/dbraw/zinc/45/64/66/626456466.db2.gz SVBBYKNTZZZJCM-ZDUSSCGKSA-N 1 0 261.365 3.189 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@H]2c2ccccn2)c1O ZINC000754723392 626584809 /nfs/dbraw/zinc/58/48/09/626584809.db2.gz RNGIVFBUCAENQY-INIZCTEOSA-N 1 0 298.386 3.441 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC3(C2)CCOCC3)c1 ZINC000754737276 626585586 /nfs/dbraw/zinc/58/55/86/626585586.db2.gz PROBLZONOLAKMN-UHFFFAOYSA-N 1 0 275.392 3.012 20 10 CGCDRO CSCC[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000756350518 626694497 /nfs/dbraw/zinc/69/44/97/626694497.db2.gz BCBBLSSODJORQR-LLVKDONJSA-N 1 0 265.422 3.285 20 10 CGCDRO CCN(CC)C[C@@H](C)[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000756536437 626713214 /nfs/dbraw/zinc/71/32/14/626713214.db2.gz VRLIPXGPORWSKT-VXGBXAGGSA-N 1 0 284.831 3.427 20 10 CGCDRO Cc1ccc2nc(C[NH2+][C@H](C)c3cc(F)ccc3O)cn2c1 ZINC000756534040 626713360 /nfs/dbraw/zinc/71/33/60/626713360.db2.gz JYWADJZWMLMJSR-GFCCVEGCSA-N 1 0 299.349 3.338 20 10 CGCDRO CC[C@H](C)[C@@](C)(O)C[NH2+][C@H](C)c1cc(C)ccc1O ZINC000756578603 626717662 /nfs/dbraw/zinc/71/76/62/626717662.db2.gz XBSPJAYOASIFFG-ZENOOKHLSA-N 1 0 265.397 3.148 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C[C@@H]2CCOC2)c(O)c1 ZINC000756647847 626724130 /nfs/dbraw/zinc/72/41/30/626724130.db2.gz WCOGYECGPCFNJE-RDBSUJKOSA-N 1 0 263.381 3.166 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC2CCC(OC)CC2)c1 ZINC000756642392 626724115 /nfs/dbraw/zinc/72/41/15/626724115.db2.gz NTUUNXBNMKIZBC-IYXRBSQSSA-N 1 0 293.407 3.257 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCO[C@H](C)C2)c2c1c(F)ccc2O ZINC000756676670 626726557 /nfs/dbraw/zinc/72/65/57/626726557.db2.gz MXACUABIOFEWBS-HKUMRIAESA-N 1 0 293.382 3.484 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](CO)c2cccc(F)c2)c1 ZINC000756710173 626727228 /nfs/dbraw/zinc/72/72/28/626727228.db2.gz BPVLCRAIJXPYIZ-LRDDRELGSA-N 1 0 289.350 3.224 20 10 CGCDRO C[C@H]([NH2+][C@H](CO)c1cccc(F)c1)c1cc(F)ccc1O ZINC000756713114 626727323 /nfs/dbraw/zinc/72/73/23/626727323.db2.gz UIMZZOWDJQPCHN-ZUZCIYMTSA-N 1 0 293.313 3.055 20 10 CGCDRO C[C@H]1C[C@H]([NH2+]CC2(C)CCOCC2)c2c1c(F)ccc2O ZINC000756747589 626729368 /nfs/dbraw/zinc/72/93/68/626729368.db2.gz RMVZCQIUZCZSIS-AAEUAGOBSA-N 1 0 293.382 3.486 20 10 CGCDRO C[C@@H]([NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)c1cn[nH]c1 ZINC000756774882 626731319 /nfs/dbraw/zinc/73/13/19/626731319.db2.gz DRRYZDZJVHSDFZ-LNLATYFQSA-N 1 0 275.327 3.154 20 10 CGCDRO CO[C@@H]1[C@H](C)[C@H]([NH2+][C@H](C)c2ccc(C)cc2O)C1(C)C ZINC000756792029 626733026 /nfs/dbraw/zinc/73/30/26/626733026.db2.gz WWLLLXKKLYYHKR-AVRGHOLYSA-N 1 0 277.408 3.411 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCCOC2)c(O)c1C ZINC000757636893 626795959 /nfs/dbraw/zinc/79/59/59/626795959.db2.gz KGLNSUCJEQIMOA-QLFBSQMISA-N 1 0 277.408 3.475 20 10 CGCDRO COc1ccc(C[N@H+](C)Cc2cccc(Cl)c2[O-])cn1 ZINC000757917624 626813932 /nfs/dbraw/zinc/81/39/32/626813932.db2.gz LPDNDHBOFXPHBT-UHFFFAOYSA-N 1 0 292.766 3.081 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCO[C@H](C3CCCCC3)C2)c1 ZINC000758062180 626825004 /nfs/dbraw/zinc/82/50/04/626825004.db2.gz HETBXATWZFTNTQ-SFHVURJKSA-N 1 0 289.419 3.482 20 10 CGCDRO Cc1[nH+]ccc(NCc2ccc(N(C)C)cc2)c1Cl ZINC000759064453 626872434 /nfs/dbraw/zinc/87/24/34/626872434.db2.gz FPWQVUKJFSTTSL-UHFFFAOYSA-N 1 0 275.783 3.143 20 10 CGCDRO C[C@H]([NH2+][C@@H](CO)CC(F)F)c1ccc2ccccc2c1O ZINC000760038002 626937399 /nfs/dbraw/zinc/93/73/99/626937399.db2.gz LVRLKPVOQIKYAL-CMPLNLGQSA-N 1 0 295.329 3.212 20 10 CGCDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)C1(C)C ZINC000761197730 627024136 /nfs/dbraw/zinc/02/41/36/627024136.db2.gz CQGHDCNXFHYBMN-HFBAOOFYSA-N 1 0 294.414 3.041 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2[C@H](C)[C@H](OC)C2(C)C)cc1C ZINC000761199203 627024823 /nfs/dbraw/zinc/02/48/23/627024823.db2.gz XXVBECLNLFFNGH-MAZHCROVSA-N 1 0 277.408 3.153 20 10 CGCDRO CC[C@@H]([NH2+]CCC1CC(O)C1)c1cc(Cl)ccc1O ZINC000762646651 627119107 /nfs/dbraw/zinc/11/91/07/627119107.db2.gz ASJDXFDDKWXBCW-MMWSSPAHSA-N 1 0 283.799 3.247 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCOC[C@@H]2C)c2c1c(F)ccc2O ZINC000762647152 627119215 /nfs/dbraw/zinc/11/92/15/627119215.db2.gz DQBVOJZVYAWZLR-DNIRFERGSA-N 1 0 279.355 3.094 20 10 CGCDRO CCOc1ccc(C[NH2+][C@@H]2CCC(F)(F)C2)c(O)c1 ZINC000763522413 627162938 /nfs/dbraw/zinc/16/29/38/627162938.db2.gz RCCHJQQHKYSLJZ-LLVKDONJSA-N 1 0 271.307 3.068 20 10 CGCDRO CCOc1ccc(C[NH2+][C@H]2CCC(F)(F)C2)c(O)c1 ZINC000763522417 627163012 /nfs/dbraw/zinc/16/30/12/627163012.db2.gz RCCHJQQHKYSLJZ-NSHDSACASA-N 1 0 271.307 3.068 20 10 CGCDRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1)c1ccc(N(C)C)cc1 ZINC000765380816 627247330 /nfs/dbraw/zinc/24/73/30/627247330.db2.gz MNJWGWPTALLDDC-CQSZACIVSA-N 1 0 297.402 3.042 20 10 CGCDRO CC(C)[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)C1CC1 ZINC000765475419 627252367 /nfs/dbraw/zinc/25/23/67/627252367.db2.gz UBOQRMOTIINCIX-MRXNPFEDSA-N 1 0 264.388 3.416 20 10 CGCDRO CC[C@H]([NH2+]CCOCC1CC1)c1ccc(N(C)C)cc1 ZINC000765868035 627276019 /nfs/dbraw/zinc/27/60/19/627276019.db2.gz ODFFAUQQZVVTTO-KRWDZBQOSA-N 1 0 276.424 3.220 20 10 CGCDRO C[C@H]([NH2+]CC1(O)CCC1)c1ccc(N2CCCCC2)cc1 ZINC000765899194 627277342 /nfs/dbraw/zinc/27/73/42/627277342.db2.gz LTIAKBLHROZEMW-HNNXBMFYSA-N 1 0 288.435 3.243 20 10 CGCDRO COc1cccc(C[NH2+][C@H]2C[C@H](OC(C)C)C2(C)C)c1O ZINC000766091176 627294940 /nfs/dbraw/zinc/29/49/40/627294940.db2.gz WPACFUJPUXQQAM-GJZGRUSLSA-N 1 0 293.407 3.083 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCN(C)[C@H](C)C2)cc1 ZINC000766166431 627301042 /nfs/dbraw/zinc/30/10/42/627301042.db2.gz QWMTWXOTPBQQRH-VYDXJSESSA-N 1 0 289.467 3.276 20 10 CGCDRO C[C@@H](Cc1ccncc1)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000766491531 627336889 /nfs/dbraw/zinc/33/68/89/627336889.db2.gz WTYXPIRHNBZNHM-GJZGRUSLSA-N 1 0 283.419 3.429 20 10 CGCDRO C[C@@]1(C[NH2+]Cc2cc(Cl)ccc2O)CCO[C@H]1C1CC1 ZINC000767195639 627389315 /nfs/dbraw/zinc/38/93/15/627389315.db2.gz OLAAGLUFSQXNOL-HOTGVXAUSA-N 1 0 295.810 3.340 20 10 CGCDRO C[N@H+](CCOC(C)(C)C)Cc1cc2c(cc1O)CCC2 ZINC000767777718 627436268 /nfs/dbraw/zinc/43/62/68/627436268.db2.gz XVMWNWRZTXKNPK-UHFFFAOYSA-N 1 0 277.408 3.128 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000768236606 627470368 /nfs/dbraw/zinc/47/03/68/627470368.db2.gz HEDHDDUECPOGSK-LJQANCHMSA-N 1 0 296.414 3.326 20 10 CGCDRO COc1cccc(C[N@H+](Cc2ccc(C)o2)C2CC2)c1O ZINC000768258140 627470866 /nfs/dbraw/zinc/47/08/66/627470866.db2.gz QNUKXIPDBHCCBI-UHFFFAOYSA-N 1 0 287.359 3.467 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](CC)CCOC)cc1 ZINC000768251785 627471134 /nfs/dbraw/zinc/47/11/34/627471134.db2.gz KYSOFDZPMLJSSI-UHFFFAOYSA-N 1 0 264.413 3.001 20 10 CGCDRO CCCC[N@H+](Cc1cc2c(cc1O)OC[C@@H]2O)[C@@H](C)CC ZINC000768439077 627480090 /nfs/dbraw/zinc/48/00/90/627480090.db2.gz GNDQWMJXMPJTRB-LRDDRELGSA-N 1 0 293.407 3.219 20 10 CGCDRO COCC[N@H+](Cc1cc(OC)c(C)cc1O)C1CCCC1 ZINC000768443909 627480506 /nfs/dbraw/zinc/48/05/06/627480506.db2.gz IWAHMSJWVCMRDZ-UHFFFAOYSA-N 1 0 293.407 3.100 20 10 CGCDRO C[N@@H+](Cc1cc2c(cc1O)CCCC2)C[C@@H]1CCCCO1 ZINC000768441000 627480607 /nfs/dbraw/zinc/48/06/07/627480607.db2.gz CHSFREFHDNKXEO-KRWDZBQOSA-N 1 0 289.419 3.272 20 10 CGCDRO COc1cc(C[N@@H+]2CC[C@H](C)[C@H](C)C2)c(O)cc1C ZINC000768465011 627481091 /nfs/dbraw/zinc/48/10/91/627481091.db2.gz JAJTUVAKTDWWJI-WCQYABFASA-N 1 0 263.381 3.187 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](OC)C2)cc1F ZINC000768751993 627495924 /nfs/dbraw/zinc/49/59/24/627495924.db2.gz AYQDDWLMFGFWHS-HNNXBMFYSA-N 1 0 294.414 3.283 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000769103305 627522405 /nfs/dbraw/zinc/52/24/05/627522405.db2.gz VOFGYHDYWVFIND-GXTWGEPZSA-N 1 0 261.365 3.165 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@@H](C)CC[C@@H]2C)c1 ZINC000769445164 627552878 /nfs/dbraw/zinc/55/28/78/627552878.db2.gz FRNHKWSXNXSIOF-STQMWFEESA-N 1 0 263.381 3.411 20 10 CGCDRO C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000769446241 627552881 /nfs/dbraw/zinc/55/28/81/627552881.db2.gz LAZWJSBXBOLHCV-NEPJUHHUSA-N 1 0 282.428 3.218 20 10 CGCDRO COC1CC([NH2+]Cc2ccc(N3CCC(C)CC3)cc2)C1 ZINC000769516043 627561897 /nfs/dbraw/zinc/56/18/97/627561897.db2.gz HJMBLTUNUSHRLL-UHFFFAOYSA-N 1 0 288.435 3.190 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)CCOC(C)(C)C)cc1F ZINC000769517464 627562369 /nfs/dbraw/zinc/56/23/69/627562369.db2.gz WLRAKXDZLFNATD-UHFFFAOYSA-N 1 0 282.403 3.139 20 10 CGCDRO C/C=C\C[C@H](CO)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000769938258 627590949 /nfs/dbraw/zinc/59/09/49/627590949.db2.gz VXKSGSNMQARGND-LHRDXKRPSA-N 1 0 297.398 3.476 20 10 CGCDRO CCN(CC)CC[N@@H+](Cc1ccccc1O)CC(C)C ZINC000770508596 627623946 /nfs/dbraw/zinc/62/39/46/627623946.db2.gz AYCMQGLRBBESAR-UHFFFAOYSA-N 1 0 278.440 3.192 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)Cc2cccc(O)c2)cc1F ZINC000771934507 627746395 /nfs/dbraw/zinc/74/63/95/627746395.db2.gz ANELTSBCQYBYQH-UHFFFAOYSA-N 1 0 288.366 3.229 20 10 CGCDRO Cc1ccc(O)c(C[N@H+](C)Cc2cccc(O)c2)c1 ZINC000771935055 627746698 /nfs/dbraw/zinc/74/66/98/627746698.db2.gz IVLNMCGYZCUCSN-UHFFFAOYSA-N 1 0 257.333 3.038 20 10 CGCDRO COc1ccc(N2CCC([NH2+]CCCC3CC3)CC2)cc1 ZINC000773002434 627840192 /nfs/dbraw/zinc/84/01/92/627840192.db2.gz SAFSNJQQOHUUFO-UHFFFAOYSA-N 1 0 288.435 3.444 20 10 CGCDRO C[C@H]([NH2+]CCCC1CC1)c1ccc(N2CCOCC2)cc1 ZINC000773001170 627840301 /nfs/dbraw/zinc/84/03/01/627840301.db2.gz OFIUXQDRGPIFLX-HNNXBMFYSA-N 1 0 288.435 3.364 20 10 CGCDRO C[C@H]([NH2+]CC1(C)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000773041748 627845493 /nfs/dbraw/zinc/84/54/93/627845493.db2.gz QRSHBTFZLPPVLW-ZDUSSCGKSA-N 1 0 292.398 3.113 20 10 CGCDRO CCN(C)c1ccc(C[N@H+](CC)C[C@H]2CCOC2)cc1 ZINC000773731909 627908630 /nfs/dbraw/zinc/90/86/30/627908630.db2.gz XGELHSDHYHKRIJ-MRXNPFEDSA-N 1 0 276.424 3.001 20 10 CGCDRO CCN(C)c1ccc(C[N@H+](C[C@@H]2CCOC2)C2CC2)cc1 ZINC000773728272 627908669 /nfs/dbraw/zinc/90/86/69/627908669.db2.gz AHEOMHADLOWRCB-INIZCTEOSA-N 1 0 288.435 3.144 20 10 CGCDRO CCN(C)c1ccc(C[N@H+](C)[C@@H](CO)c2ccccc2)cc1 ZINC000773749377 627910101 /nfs/dbraw/zinc/91/01/01/627910101.db2.gz USSJEQMBXHLWOC-IBGZPJMESA-N 1 0 298.430 3.308 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1 ZINC000773770026 627913896 /nfs/dbraw/zinc/91/38/96/627913896.db2.gz BEOCIKVLOAQSIV-MRXNPFEDSA-N 1 0 298.434 3.245 20 10 CGCDRO COc1cccc(O)c1C[N@H+](CC1CCC1)C(C)C ZINC000775178533 628069411 /nfs/dbraw/zinc/06/94/11/628069411.db2.gz UXEFIWQJJZKTON-UHFFFAOYSA-N 1 0 263.381 3.411 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C[C@@H]2C(C)=CCC[C@H]2C)c1 ZINC000775306230 628080588 /nfs/dbraw/zinc/08/05/88/628080588.db2.gz UADLHPXOYAHUSU-CZUORRHYSA-N 1 0 275.392 3.483 20 10 CGCDRO CC[C@H]([NH2+]CC(C)(C)N(C)C)c1cc(Cl)ccc1O ZINC000775482905 628097783 /nfs/dbraw/zinc/09/77/83/628097783.db2.gz GHBZJJZMMZVMGC-ZDUSSCGKSA-N 1 0 284.831 3.427 20 10 CGCDRO CCC[C@@H](O)C[NH2+][C@H](CC)c1cc(Cl)ccc1O ZINC000775503636 628101961 /nfs/dbraw/zinc/10/19/61/628101961.db2.gz LEXMFPHZFGIRSN-DGCLKSJQSA-N 1 0 271.788 3.247 20 10 CGCDRO CC[C@@H](CCO)[NH2+][C@@H](CC)c1cc(Cl)ccc1O ZINC000775509993 628102535 /nfs/dbraw/zinc/10/25/35/628102535.db2.gz UEZGGIYEPZRUJM-AAEUAGOBSA-N 1 0 271.788 3.247 20 10 CGCDRO CC[C@H]([NH2+]CCNc1cccc(C)n1)c1ccccc1O ZINC000775526944 628104325 /nfs/dbraw/zinc/10/43/25/628104325.db2.gz OUESUTIAWCKYDR-HNNXBMFYSA-N 1 0 285.391 3.248 20 10 CGCDRO C/C=C/C[C@H](CO)[NH2+][C@H](CC)c1cc(Cl)ccc1O ZINC000775554385 628106246 /nfs/dbraw/zinc/10/62/46/628106246.db2.gz ITWUBEUQCKIVLM-CLDOCUBWSA-N 1 0 283.799 3.413 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](C)[C@H]2CC)c1 ZINC000776000497 628156888 /nfs/dbraw/zinc/15/68/88/628156888.db2.gz LKRTVXRCXWCOLI-IUODEOHRSA-N 1 0 263.381 3.411 20 10 CGCDRO CO[C@H]1CCC[C@H]1C[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000776255702 628185175 /nfs/dbraw/zinc/18/51/75/628185175.db2.gz GURBYNMHUBXNBZ-FZMZJTMJSA-N 1 0 283.799 3.259 20 10 CGCDRO CN(C)c1ccc(C[NH2+]Cc2ccc(Cl)cn2)cc1F ZINC000776255335 628185250 /nfs/dbraw/zinc/18/52/50/628185250.db2.gz UODXBMFSDHHVBQ-UHFFFAOYSA-N 1 0 293.773 3.230 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@H+]2CC[C@@H](C)[C@@H](F)C2)c1 ZINC000777969487 628316816 /nfs/dbraw/zinc/31/68/16/628316816.db2.gz SUPPSCFTFTWVSR-RISCZKNCSA-N 1 0 251.345 3.189 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)COC2)c1ccccc1O ZINC000778231207 628336524 /nfs/dbraw/zinc/33/65/24/628336524.db2.gz FCMZZLUKOWILGO-GFCCVEGCSA-N 1 0 269.344 3.273 20 10 CGCDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000778996863 628381971 /nfs/dbraw/zinc/38/19/71/628381971.db2.gz USAGVQYHZFVGFZ-OAHLLOKOSA-N 1 0 272.323 3.263 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C2CC(OC(C)(C)C)C2)cc1F ZINC000779044033 628385577 /nfs/dbraw/zinc/38/55/77/628385577.db2.gz DSKMPZJWHXGRDD-UHFFFAOYSA-N 1 0 294.414 3.327 20 10 CGCDRO CCOC[C@H](C)[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000779070986 628386670 /nfs/dbraw/zinc/38/66/70/628386670.db2.gz CMCYWMYAQKAJPT-VHSXEESVSA-N 1 0 257.761 3.121 20 10 CGCDRO CC(C)(C)[C@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C[C@H]1O ZINC000779432240 628413250 /nfs/dbraw/zinc/41/32/50/628413250.db2.gz PQLMPRHVHGSJDG-DZGCQCFKSA-N 1 0 297.826 3.275 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](C(C)(C)C)[C@H](O)C2)cc1C ZINC000779431848 628413341 /nfs/dbraw/zinc/41/33/41/628413341.db2.gz FOQSZXSMDLCXNM-NVXWUHKLSA-N 1 0 291.435 3.238 20 10 CGCDRO C[C@H]1CC[C@@]2(CC[N@H+](Cc3cc4c(cc3O)OCO4)C2)C1 ZINC000781586253 628576323 /nfs/dbraw/zinc/57/63/23/628576323.db2.gz KIOBZQZLUUOAFE-YVEFUNNKSA-N 1 0 289.375 3.133 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@]3(CC[C@H](C)C3)C2)c1 ZINC000781929926 628606080 /nfs/dbraw/zinc/60/60/80/628606080.db2.gz TVXAPYKKSVXKHA-GUYCJALGSA-N 1 0 275.392 3.413 20 10 CGCDRO Cc1cc(C[NH2+][C@H](C)c2nccnc2C)ccc1N(C)C ZINC000783252288 628695124 /nfs/dbraw/zinc/69/51/24/628695124.db2.gz OIRNQXDYQCTSBC-CQSZACIVSA-N 1 0 284.407 3.010 20 10 CGCDRO CC[C@@H]([NH2+]CC1(N(C)C)CCC1)c1ccc(N(C)C)cc1 ZINC000783314381 628703131 /nfs/dbraw/zinc/70/31/31/628703131.db2.gz MVMWFHNLVGHNBB-QGZVFWFLSA-N 1 0 289.467 3.278 20 10 CGCDRO Cc1ncc2c(n1)CCC[C@H]2[NH2+][C@H](C)c1ccccc1O ZINC000783514532 628720230 /nfs/dbraw/zinc/72/02/30/628720230.db2.gz SEFBXLOUUMBNBL-IAQYHMDHSA-N 1 0 283.375 3.219 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1ccccc1O ZINC000783516483 628720286 /nfs/dbraw/zinc/72/02/86/628720286.db2.gz CIIXTMVVMMVUCA-OLZOCXBDSA-N 1 0 261.365 3.145 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+]C[C@H]2CCC=CO2)c1O ZINC000783706748 628741918 /nfs/dbraw/zinc/74/19/18/628741918.db2.gz YOWLQRVOJUIAGF-CYBMUJFWSA-N 1 0 267.756 3.136 20 10 CGCDRO COc1cc(C[N@H+](C)C[C@H]2CC=CCC2)c(O)cc1C ZINC000784010057 628764865 /nfs/dbraw/zinc/76/48/65/628764865.db2.gz MSBCOKKQZZNJCE-AWEZNQCLSA-N 1 0 275.392 3.497 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@]2(C)CCO[C@H]2C)cc1F ZINC000784641024 628826954 /nfs/dbraw/zinc/82/69/54/628826954.db2.gz ULDKUJHWAFHMHC-GUYCJALGSA-N 1 0 294.414 3.329 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](C)[C@H](OC)C2)cc1 ZINC000784669255 628828424 /nfs/dbraw/zinc/82/84/24/628828424.db2.gz YWOYGZVATDSVMA-CRAIPNDOSA-N 1 0 290.451 3.390 20 10 CGCDRO Cc1nc(F)ccc1C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000785511962 628868526 /nfs/dbraw/zinc/86/85/26/628868526.db2.gz PRSXEAPWTYQTJJ-LBPRGKRZSA-N 1 0 287.382 3.446 20 10 CGCDRO CCOc1ccc(C[NH2+]C(C)(C)C2CCOCC2)c(O)c1 ZINC000785611938 628874459 /nfs/dbraw/zinc/87/44/59/628874459.db2.gz URUXCVXRWHRGNS-UHFFFAOYSA-N 1 0 293.407 3.086 20 10 CGCDRO Cc1cccc(C[NH2+]Cc2cccc3cc[nH]c32)c1O ZINC000786578078 628949368 /nfs/dbraw/zinc/94/93/68/628949368.db2.gz GNYHPMVIHPTVFU-UHFFFAOYSA-N 1 0 266.344 3.472 20 10 CGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@H]2CCC[C@H]2C)c1O ZINC000787994709 629038209 /nfs/dbraw/zinc/03/82/09/629038209.db2.gz KTMOMCNAJRTDSF-OTYXRUKQSA-N 1 0 265.328 3.012 20 10 CGCDRO Oc1ccc2ccncc2c1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000789508829 629141698 /nfs/dbraw/zinc/14/16/98/629141698.db2.gz SDPGQDCRBGQTIO-AEFFLSMTSA-N 1 0 298.386 3.084 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1N(C)CCCC1(C)C)c1cc(F)ccc1O ZINC000790497567 629213629 /nfs/dbraw/zinc/21/36/29/629213629.db2.gz NBPRFUCEZJMLAW-LRDDRELGSA-N 1 0 294.414 3.302 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](C(C)C)C(C)(C)O)c1ccccc1O ZINC000790701970 629225961 /nfs/dbraw/zinc/22/59/61/629225961.db2.gz ORGFJMSQLZTJHG-HIFRSBDPSA-N 1 0 265.397 3.228 20 10 CGCDRO C[N@H+](Cc1ccccc1O)C[C@]1(C)CCCS1 ZINC000862227894 629326490 /nfs/dbraw/zinc/32/64/90/629326490.db2.gz JIWMSENDYMQXRC-AWEZNQCLSA-N 1 0 251.395 3.110 20 10 CGCDRO COCC[N@H+](Cc1c(O)cccc1OC)[C@H]1CC[C@@H](C)C1 ZINC000792192997 629346923 /nfs/dbraw/zinc/34/69/23/629346923.db2.gz PHKLYEQMGJBQIM-KGLIPLIRSA-N 1 0 293.407 3.038 20 10 CGCDRO COCC[N@H+](Cc1ccccc1O)[C@H]1CC[C@@H](C)C1 ZINC000792192481 629347130 /nfs/dbraw/zinc/34/71/30/629347130.db2.gz KZJGFQWIOWRBLE-HIFRSBDPSA-N 1 0 263.381 3.029 20 10 CGCDRO CO[C@@]1(C)CCC[N@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862351410 629347455 /nfs/dbraw/zinc/34/74/55/629347455.db2.gz OXJKCNDPGARYRN-INIZCTEOSA-N 1 0 298.377 3.032 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H]2CO[C@H](C3CC3)C2)cc1Cl ZINC000862529537 629391276 /nfs/dbraw/zinc/39/12/76/629391276.db2.gz MMPQFUIRHVUDMI-DOMZBBRYSA-N 1 0 281.783 3.011 20 10 CGCDRO Oc1ccc(F)cc1CN1CCOc2cc(F)ccc2C1 ZINC000862549701 629400735 /nfs/dbraw/zinc/40/07/35/629400735.db2.gz CVSQBRKAXINUKI-UHFFFAOYSA-N 1 0 291.297 3.065 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]Cc2cccnc2F)cc1 ZINC000793285043 629439927 /nfs/dbraw/zinc/43/99/27/629439927.db2.gz MEKMFVWFOAWAHF-UHFFFAOYSA-N 1 0 287.382 3.357 20 10 CGCDRO COCCC1([NH2+]Cc2cc(Cl)ccc2O)CCC1 ZINC000793330361 629444296 /nfs/dbraw/zinc/44/42/96/629444296.db2.gz WUDVCIWLZVUIAI-UHFFFAOYSA-N 1 0 269.772 3.094 20 10 CGCDRO Fc1ccccc1CCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000793345398 629445734 /nfs/dbraw/zinc/44/57/34/629445734.db2.gz AVHMLYIYUYOHKQ-UHFFFAOYSA-N 1 0 285.362 3.483 20 10 CGCDRO COc1ccc(C[NH2+][C@H](C)CCC(F)(F)F)c(O)c1 ZINC000793389101 629453215 /nfs/dbraw/zinc/45/32/15/629453215.db2.gz VSSOHOAXIPCSIF-SECBINFHSA-N 1 0 277.286 3.221 20 10 CGCDRO Cc1cccc(C[N@H+](C)Cc2cc3c(cc2O)OCO3)c1C ZINC000793541395 629479714 /nfs/dbraw/zinc/47/97/14/629479714.db2.gz DFOFWZREDPQSRG-UHFFFAOYSA-N 1 0 299.370 3.370 20 10 CGCDRO CC[C@H]([NH2+]CC[C@H]1CCCO1)c1ccc(C)cc1O ZINC000794798897 629578538 /nfs/dbraw/zinc/57/85/38/629578538.db2.gz XCSVWZQLZXEPRR-HIFRSBDPSA-N 1 0 263.381 3.310 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](C)Cc1cnccn1)c1ccc(C)cc1O ZINC000794802054 629578845 /nfs/dbraw/zinc/57/88/45/629578845.db2.gz CEKXZGBJYITTFH-XJKSGUPXSA-N 1 0 285.391 3.163 20 10 CGCDRO CC[C@@H]([NH2+]CCN(CC)C1CC1)c1ccc(C)cc1O ZINC000794802709 629578938 /nfs/dbraw/zinc/57/89/38/629578938.db2.gz GKYPZNPPLDZWMO-MRXNPFEDSA-N 1 0 276.424 3.226 20 10 CGCDRO CC[C@H]([NH2+]CCOC1CCC1)c1ccc(C)cc1O ZINC000794812608 629580074 /nfs/dbraw/zinc/58/00/74/629580074.db2.gz MSQAPXJPBVBZDS-HNNXBMFYSA-N 1 0 263.381 3.310 20 10 CGCDRO CC[C@@H]([NH2+][C@H](C)CN(CC)CC)c1ccc(C)cc1O ZINC000794806384 629580280 /nfs/dbraw/zinc/58/02/80/629580280.db2.gz IDHPYLDEYNLFCC-GDBMZVCRSA-N 1 0 278.440 3.472 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(F)cn1)c1ccc(C)cc1O ZINC000794808936 629580468 /nfs/dbraw/zinc/58/04/68/629580468.db2.gz CYIGXRQOMITSSX-HNNXBMFYSA-N 1 0 274.339 3.476 20 10 CGCDRO CC[C@H]([NH2+]C[C@](C)(O)C(C)C)c1ccc(C)cc1O ZINC000794806330 629580662 /nfs/dbraw/zinc/58/06/62/629580662.db2.gz HJZIUWUQAUAPML-HOCLYGCPSA-N 1 0 265.397 3.148 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+][C@@H](CO)CC2CCC2)c2c1c(F)ccc2O ZINC000794833879 629585342 /nfs/dbraw/zinc/58/53/42/629585342.db2.gz MIPGTCWZWZPKOA-QKCSRTOESA-N 1 0 293.382 3.220 20 10 CGCDRO [O-]c1c(C[NH+]2CCC(CCF)CC2)ccc(F)c1F ZINC000864050706 629744494 /nfs/dbraw/zinc/74/44/94/629744494.db2.gz NWETVLLQLAULLL-UHFFFAOYSA-N 1 0 273.298 3.242 20 10 CGCDRO CCOCc1cc(C[NH2+][C@H]2CSC[C@H]2C)ccc1OC ZINC000796484872 629789604 /nfs/dbraw/zinc/78/96/04/629789604.db2.gz WAKUIMCOOZMEFB-DOMZBBRYSA-N 1 0 295.448 3.073 20 10 CGCDRO C[C@H]([NH2+]CC1(C(F)(F)F)CC1)c1ccccc1O ZINC000797070291 629881428 /nfs/dbraw/zinc/88/14/28/629881428.db2.gz KAOTYUUGROYGGE-VIFPVBQESA-N 1 0 259.271 3.385 20 10 CGCDRO CCOc1cccc(C[N@H+]2CC(C)=C[C@@H](C)C2)c1O ZINC000797605031 629970437 /nfs/dbraw/zinc/97/04/37/629970437.db2.gz LHRMOOBJCFFGFP-GFCCVEGCSA-N 1 0 261.365 3.189 20 10 CGCDRO CCOc1ccc(C[NH2+]C[C@H]2CCC[C@@H]2C)c(O)c1 ZINC000798506018 630061492 /nfs/dbraw/zinc/06/14/92/630061492.db2.gz QSSVJETXPWJUFO-QWHCGFSZSA-N 1 0 263.381 3.317 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+]CC(C)(C)F)cc1 ZINC000865653088 630254929 /nfs/dbraw/zinc/25/49/29/630254929.db2.gz NZTGMJKGKUUFDO-WAYWQWQTSA-N 1 0 250.361 3.104 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]CC(C)(C)C(F)(F)F)c1 ZINC000800888892 630309226 /nfs/dbraw/zinc/30/92/26/630309226.db2.gz FNBQRFZAQRBIIR-UHFFFAOYSA-N 1 0 261.287 3.379 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@H]2CC[C@@H]2C2CCC2)cc1 ZINC000800965639 630314203 /nfs/dbraw/zinc/31/42/03/630314203.db2.gz NPCCOCURVKMOFA-SJORKVTESA-N 1 0 258.409 3.421 20 10 CGCDRO CCCC[N@@H+](Cc1ccccc1O)C[C@H]1CCCOC1 ZINC000801597460 630346579 /nfs/dbraw/zinc/34/65/79/630346579.db2.gz HMQFGQYPCGBSGB-OAHLLOKOSA-N 1 0 277.408 3.421 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2CC[C@@H]2C2CCC2)c(O)c1 ZINC000802651699 630402187 /nfs/dbraw/zinc/40/21/87/630402187.db2.gz XXNQYMFXUSUQNM-CABCVRRESA-N 1 0 261.365 3.069 20 10 CGCDRO COc1ccc(O)c(C[NH2+]CC[C@@H]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000802659846 630403843 /nfs/dbraw/zinc/40/38/43/630403843.db2.gz OBOVAZZGPHXVKN-BTTYYORXSA-N 1 0 293.407 3.084 20 10 CGCDRO CC[C@@](C)(O)C[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808693166 630665028 /nfs/dbraw/zinc/66/50/28/630665028.db2.gz DOFDTEHFSDWINF-QMTHXVAHSA-N 1 0 271.788 3.166 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@](C)(O)C(C)C)c1O ZINC000808694266 630665060 /nfs/dbraw/zinc/66/50/60/630665060.db2.gz BLOFJIJLTYTSNO-IAQYHMDHSA-N 1 0 285.815 3.412 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCN(C3CC3)C2)c1O ZINC000808691325 630665109 /nfs/dbraw/zinc/66/51/09/630665109.db2.gz JAXUUMOUUJDLHP-AAEUAGOBSA-N 1 0 294.826 3.241 20 10 CGCDRO CCC[C@H](O)C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808694637 630665581 /nfs/dbraw/zinc/66/55/81/630665581.db2.gz FOGGQDFJGFEVBR-JQWIXIFHSA-N 1 0 271.788 3.166 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](C)C[C@H](C)O)c1O ZINC000808697740 630666505 /nfs/dbraw/zinc/66/65/05/630666505.db2.gz SOIJZFVEBQNLJY-DLOVCJGASA-N 1 0 285.815 3.412 20 10 CGCDRO CO[C@@H](C)[C@H](C)[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808716022 630669895 /nfs/dbraw/zinc/66/98/95/630669895.db2.gz QGHMWKXPRKMKSR-AXFHLTTASA-N 1 0 271.788 3.428 20 10 CGCDRO Cc1cc(O)c(C[N@@H+](CCN(C)C)CC(C)C)cc1C ZINC000809730017 630795506 /nfs/dbraw/zinc/79/55/06/630795506.db2.gz WXZPBHZORPGQPL-UHFFFAOYSA-N 1 0 278.440 3.029 20 10 CGCDRO COc1cccc(C[NH2+]Cc2ncc(C(C)C)s2)c1O ZINC000809740188 630796794 /nfs/dbraw/zinc/79/67/94/630796794.db2.gz ODDKJUUKRXHBHC-UHFFFAOYSA-N 1 0 292.404 3.271 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)[C@H](CO)CC(C)C)cc1 ZINC000809766922 630802173 /nfs/dbraw/zinc/80/21/73/630802173.db2.gz CBAHNDZYUSPMDY-SFHVURJKSA-N 1 0 292.467 3.372 20 10 CGCDRO CC[N@H+](Cc1cc(OC)ccc1O)[C@H]1CCOC(C)(C)C1 ZINC000811511597 631080634 /nfs/dbraw/zinc/08/06/34/631080634.db2.gz OMNFAIKXBJXFQD-AWEZNQCLSA-N 1 0 293.407 3.180 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c1 ZINC000811778776 631119302 /nfs/dbraw/zinc/11/93/02/631119302.db2.gz NSFYTNZQHLCHLG-WBVHZDCISA-N 1 0 289.419 3.398 20 10 CGCDRO CO[C@](C)(C[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F)C1CC1 ZINC000812734024 631299177 /nfs/dbraw/zinc/29/91/77/631299177.db2.gz FVUAYXKYIBVQGY-MNRXQERYSA-N 1 0 293.382 3.484 20 10 CGCDRO CC[N@H+](Cc1c(O)cccc1OC)CC(C)(C)C ZINC000812795063 631313698 /nfs/dbraw/zinc/31/36/98/631313698.db2.gz WBPTTWSUMKOUBG-UHFFFAOYSA-N 1 0 251.370 3.269 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H](O)CC)c1ccc(C(F)(F)F)cc1O ZINC000813884899 631476153 /nfs/dbraw/zinc/47/61/53/631476153.db2.gz OXNJPSGTUPXHHC-CMPLNLGQSA-N 1 0 291.313 3.223 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CC3(CCC3)[C@@H]2C(C)C)c1 ZINC000814170841 631536402 /nfs/dbraw/zinc/53/64/02/631536402.db2.gz FCRBKFDPVGLTSL-INIZCTEOSA-N 1 0 275.392 3.411 20 10 CGCDRO C[C@H]1C[N@H+](Cc2cc(F)ccc2O)Cc2ccccc2O1 ZINC000814177580 631538797 /nfs/dbraw/zinc/53/87/97/631538797.db2.gz HLCNAMRJOWLSCC-LBPRGKRZSA-N 1 0 287.334 3.314 20 10 CGCDRO Cc1cc(C[N@@H+]2CCC[C@@H]2C2CC2)ccc1N(C)C ZINC000815037329 631705946 /nfs/dbraw/zinc/70/59/46/631705946.db2.gz HYEMUXJIPNSNOD-QGZVFWFLSA-N 1 0 258.409 3.435 20 10 CGCDRO Cc1cc(C[NH+]2CC3(C2)CC(F)(F)C3)ccc1N(C)C ZINC000815079838 631712910 /nfs/dbraw/zinc/71/29/10/631712910.db2.gz YAGMHLWZGMRZBA-UHFFFAOYSA-N 1 0 280.362 3.292 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@H](OC)C[C@H]2C)cc1 ZINC000815107954 631719199 /nfs/dbraw/zinc/71/91/99/631719199.db2.gz PTIQVKBVZHPGNQ-RHSMWYFYSA-N 1 0 276.424 3.142 20 10 CGCDRO CC1(C)CCC[C@@]1(O)C[NH2+]Cc1c(O)cccc1Cl ZINC000815146755 631729415 /nfs/dbraw/zinc/72/94/15/631729415.db2.gz KSLMFFVVJNAUGD-OAHLLOKOSA-N 1 0 283.799 3.076 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C[C@H](CO)C2CCCCC2)cc1 ZINC000815149928 631730436 /nfs/dbraw/zinc/73/04/36/631730436.db2.gz GJVOQEIFRBKTPP-QGZVFWFLSA-N 1 0 290.451 3.031 20 10 CGCDRO CCOC1(C[NH2+]Cc2cc(C)c(C)cc2O)CCCC1 ZINC000815149019 631730496 /nfs/dbraw/zinc/73/04/96/631730496.db2.gz VRCZSTLIHQRARV-UHFFFAOYSA-N 1 0 277.408 3.448 20 10 CGCDRO C[C@@H]([NH2+]CCCSc1nccs1)[C@]1(C)CCCO1 ZINC000815581374 631799452 /nfs/dbraw/zinc/79/94/52/631799452.db2.gz DRVSRIIPAQYZAW-YPMHNXCESA-N 1 0 286.466 3.173 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@]2(C)CCCO2)c(O)c1 ZINC000815587442 631801792 /nfs/dbraw/zinc/80/17/92/631801792.db2.gz JUHVUFZFSLLAJO-BBRMVZONSA-N 1 0 263.381 3.229 20 10 CGCDRO C[C@@H](F)CC[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000815645500 631811600 /nfs/dbraw/zinc/81/16/00/631811600.db2.gz HUQJSZIYFJOORD-CHWSQXEVSA-N 1 0 298.377 3.061 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cc[nH]c(=O)c2)c(O)c1 ZINC000815642948 631811938 /nfs/dbraw/zinc/81/19/38/631811938.db2.gz PFYFPCYAIGIPED-NWDGAFQWSA-N 1 0 272.348 3.213 20 10 CGCDRO CC(C)N1CCC[N@H+](Cc2ccc3ccccc3c2O)CC1 ZINC000816480294 631988097 /nfs/dbraw/zinc/98/80/97/631988097.db2.gz JAOWTYCCTFJLCI-UHFFFAOYSA-N 1 0 298.430 3.462 20 10 CGCDRO COC[C@@H]1CCC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816509478 631998371 /nfs/dbraw/zinc/99/83/71/631998371.db2.gz RHINIZLZOCGFGJ-CQSZACIVSA-N 1 0 285.387 3.404 20 10 CGCDRO Cc1noc(C)c1CC[NH2+]Cc1ccc2ccccc2c1O ZINC000816547589 632007468 /nfs/dbraw/zinc/00/74/68/632007468.db2.gz BLKIJHYPKZZGHH-UHFFFAOYSA-N 1 0 296.370 3.483 20 10 CGCDRO Oc1c(C[NH2+]CCc2nccs2)ccc2ccccc21 ZINC000816544680 632007605 /nfs/dbraw/zinc/00/76/05/632007605.db2.gz PHSLQYRHQCQSHJ-UHFFFAOYSA-N 1 0 284.384 3.334 20 10 CGCDRO [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H]1CC=CCC1 ZINC000816552181 632008461 /nfs/dbraw/zinc/00/84/61/632008461.db2.gz DASGPDYWTGAVMJ-SNVBAGLBSA-N 1 0 255.720 3.383 20 10 CGCDRO CO[C@H]1CCC[C@H]1C[NH2+]Cc1ccc2ccccc2c1O ZINC000816560659 632012522 /nfs/dbraw/zinc/01/25/22/632012522.db2.gz WRNTUCUEUCLYAB-YOEHRIQHSA-N 1 0 285.387 3.450 20 10 CGCDRO CO[C@@H](C)C[N@H+](C)Cc1ccc2ccccc2c1O ZINC000816609825 632022891 /nfs/dbraw/zinc/02/28/91/632022891.db2.gz NTUFUWXIIZITCT-LBPRGKRZSA-N 1 0 259.349 3.012 20 10 CGCDRO CC[N@H+](Cc1ccc2ccccc2c1O)[C@@H]1CCOC1 ZINC000816616950 632025224 /nfs/dbraw/zinc/02/52/24/632025224.db2.gz KDRLDWPMRSJZGN-OAHLLOKOSA-N 1 0 271.360 3.156 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000816621959 632026022 /nfs/dbraw/zinc/02/60/22/632026022.db2.gz SYKIHAWKTPYNPS-KRWDZBQOSA-N 1 0 298.386 3.379 20 10 CGCDRO COc1cccc(O)c1C[NH2+]C[C@@H]1CC12CCSCC2 ZINC000817410336 632141225 /nfs/dbraw/zinc/14/12/25/632141225.db2.gz LDAKQAHSNWLWMK-LBPRGKRZSA-N 1 0 293.432 3.024 20 10 CGCDRO COc1cccc(O)c1C[NH2+]C[C@H]1CC12CCSCC2 ZINC000817410335 632141426 /nfs/dbraw/zinc/14/14/26/632141426.db2.gz LDAKQAHSNWLWMK-GFCCVEGCSA-N 1 0 293.432 3.024 20 10 CGCDRO Cc1cc(C[NH2+]Cc2cc(Cl)ccc2O)cc(C)n1 ZINC000817410338 632141551 /nfs/dbraw/zinc/14/15/51/632141551.db2.gz LIZZADQVCSFKGJ-UHFFFAOYSA-N 1 0 276.767 3.347 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)C1(OC)CCOCC1)c1ccccc1O ZINC000817420327 632148020 /nfs/dbraw/zinc/14/80/20/632148020.db2.gz RRHUQXURSJAJLS-ZFWWWQNUSA-N 1 0 293.407 3.017 20 10 CGCDRO COC1([C@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)CCCC1 ZINC000817573914 632185582 /nfs/dbraw/zinc/18/55/82/632185582.db2.gz JBCWSMYUDYDDJH-ZDUSSCGKSA-N 1 0 294.414 3.329 20 10 CGCDRO CC[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc(F)cc1[O-] ZINC000817584898 632190427 /nfs/dbraw/zinc/19/04/27/632190427.db2.gz AIYIIMYBTBDQNI-XUJLQICISA-N 1 0 294.414 3.445 20 10 CGCDRO Cc1cc(N(C)C)ccc1CN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000817895044 632230418 /nfs/dbraw/zinc/23/04/18/632230418.db2.gz TVPNLHIAZXNSJB-MOPGFXCFSA-N 1 0 295.430 3.295 20 10 CGCDRO CN(C)c1ccc([C@H](N)C[NH2+][C@@H]2CCc3ccccc32)cc1 ZINC000817938896 632239608 /nfs/dbraw/zinc/23/96/08/632239608.db2.gz VFBAKPXUFXFHIS-RTBURBONSA-N 1 0 295.430 3.030 20 10 CGCDRO Cc1ccc2c(c1)CC[C@H]2[NH2+]CCc1ccc(N)cc1 ZINC000817955672 632249814 /nfs/dbraw/zinc/24/98/14/632249814.db2.gz FFWXGGYWVACSCG-GOSISDBHSA-N 1 0 266.388 3.397 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](N)c2ccccc2)c(O)c1 ZINC000817955310 632250201 /nfs/dbraw/zinc/25/02/01/632250201.db2.gz VJZJMMZWWWBPIX-XJKSGUPXSA-N 1 0 270.376 3.051 20 10 CGCDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)c1cc(F)cc(F)c1 ZINC000817955943 632251186 /nfs/dbraw/zinc/25/11/86/632251186.db2.gz LWGJAKRDRXSYHQ-LLVKDONJSA-N 1 0 276.330 3.440 20 10 CGCDRO CCO[C@H]1C[C@@H]([NH2+]CCc2ccc(N)cc2)C1(CC)CC ZINC000817957514 632252371 /nfs/dbraw/zinc/25/23/71/632252371.db2.gz MTLSOCRVKRDYAT-SJORKVTESA-N 1 0 290.451 3.385 20 10 CGCDRO Nc1ccc(CC[NH2+][C@H]2CCCc3c(O)cccc32)cc1 ZINC000817956898 632252515 /nfs/dbraw/zinc/25/25/15/632252515.db2.gz FMUZENWLKAGFDK-KRWDZBQOSA-N 1 0 282.387 3.184 20 10 CGCDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)c1cccc(F)c1F ZINC000817958551 632253887 /nfs/dbraw/zinc/25/38/87/632253887.db2.gz XFPDSZBMOIZCHU-LLVKDONJSA-N 1 0 276.330 3.440 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](CN)CC(C)C)cc1 ZINC000817958147 632253953 /nfs/dbraw/zinc/25/39/53/632253953.db2.gz IKKJUZXBCMABOP-GDBMZVCRSA-N 1 0 277.456 3.167 20 10 CGCDRO CC(C)C[C@H](CN)[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000817958740 632254576 /nfs/dbraw/zinc/25/45/76/632254576.db2.gz MDDYBSHJOKHUNA-CZUORRHYSA-N 1 0 290.451 3.295 20 10 CGCDRO CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000817959463 632255004 /nfs/dbraw/zinc/25/50/04/632255004.db2.gz RNFGHVYQRCZRIY-PELKAZGASA-N 1 0 291.222 3.333 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817964565 632258501 /nfs/dbraw/zinc/25/85/01/632258501.db2.gz CMGYILYDHKGVOY-JVXZTZIISA-N 1 0 289.206 3.087 20 10 CGCDRO CCCC[C@@H](CN)[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000817963580 632259240 /nfs/dbraw/zinc/25/92/40/632259240.db2.gz VJHYEGLNUFHRFQ-KBPBESRZSA-N 1 0 264.413 3.177 20 10 CGCDRO COc1cccc(O)c1C[NH2+][C@@H]1C[C@]1(F)c1ccccc1 ZINC000818231086 632300501 /nfs/dbraw/zinc/30/05/01/632300501.db2.gz VCYXIKUFRFAGQU-SJORKVTESA-N 1 0 287.334 3.128 20 10 CGCDRO COc1ccc(N2CC[C@@H](C[NH2+]C3CC(C)(C)C3)C2)cc1 ZINC000818343170 632311057 /nfs/dbraw/zinc/31/10/57/632311057.db2.gz YXLWEJLWCLEOFN-AWEZNQCLSA-N 1 0 288.435 3.300 20 10 CGCDRO COc1ccc(N2CC[C@H](C[NH2+]C3CC(C)(C)C3)C2)cc1 ZINC000818343171 632311174 /nfs/dbraw/zinc/31/11/74/632311174.db2.gz YXLWEJLWCLEOFN-CQSZACIVSA-N 1 0 288.435 3.300 20 10 CGCDRO CCC[C@H](C)[NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818345568 632312129 /nfs/dbraw/zinc/31/21/29/632312129.db2.gz WNEAIBIOAAJQKO-LSDHHAIUSA-N 1 0 276.424 3.300 20 10 CGCDRO C[C@H]([NH2+][C@H]1CC12CC2)c1ccc(Br)cc1O ZINC000818356255 632313707 /nfs/dbraw/zinc/31/37/07/632313707.db2.gz MDLZEOHILQZMNO-UFBFGSQYSA-N 1 0 282.181 3.358 20 10 CGCDRO Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+][C@@H]1CCOC1 ZINC000818362242 632315311 /nfs/dbraw/zinc/31/53/11/632315311.db2.gz SLKZGIMOTAGKCR-SJLPKXTDSA-N 1 0 297.398 3.445 20 10 CGCDRO Cc1ccc(CN2CC[C@H]([NH2+]Cc3ccccc3O)C2)cc1 ZINC000865750320 632877371 /nfs/dbraw/zinc/87/73/71/632877371.db2.gz NOAMLEPEVJXHRK-SFHVURJKSA-N 1 0 296.414 3.065 20 10 CGCDRO CCC[C@H](CCO)[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000866415176 633128334 /nfs/dbraw/zinc/12/83/34/633128334.db2.gz QRIMTKQFNMHECG-ZIAGYGMSSA-N 1 0 265.397 3.211 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CC(C)(C)CC[C@H]2O)c1 ZINC000866453374 633142667 /nfs/dbraw/zinc/14/26/67/633142667.db2.gz WFJDGBKWIPRGMF-XNRPHZJLSA-N 1 0 277.408 3.291 20 10 CGCDRO c1cc(C[NH2+][C@H]2CCCC23CCC3)cc2c1OCC2 ZINC000823753422 633149157 /nfs/dbraw/zinc/14/91/57/633149157.db2.gz WDEJEGNMVXXYPL-INIZCTEOSA-N 1 0 257.377 3.434 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]2C(F)(F)F)c(O)c1 ZINC000866500681 633162063 /nfs/dbraw/zinc/16/20/63/633162063.db2.gz UFLWIAJSDXKQRP-JMJZKYOTSA-N 1 0 259.271 3.302 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CCOCC1)c1ccccc1O ZINC000866537833 633181281 /nfs/dbraw/zinc/18/12/81/633181281.db2.gz JVWKPCPIAKRJSM-INWMFGNUSA-N 1 0 275.392 3.106 20 10 CGCDRO CC[C@H](C[C@H](C)O)[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000866634531 633223149 /nfs/dbraw/zinc/22/31/49/633223149.db2.gz SBZNMKJEJJQOLO-MELADBBJSA-N 1 0 265.397 3.209 20 10 CGCDRO CC[C@H](C[C@@H](C)O)[NH2+][C@@H](CC)c1ccc(N(C)C)cc1 ZINC000866634748 633224060 /nfs/dbraw/zinc/22/40/60/633224060.db2.gz IQACWFNHFIBCSQ-UNEWFSDZSA-N 1 0 278.440 3.343 20 10 CGCDRO CC[C@H](C[C@H](C)O)[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000866636164 633224534 /nfs/dbraw/zinc/22/45/34/633224534.db2.gz WYHJUGFVGGFIIP-MEWQQHAOSA-N 1 0 281.371 3.219 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CCCC23CCC3)c(O)c1 ZINC000824320733 633229592 /nfs/dbraw/zinc/22/95/92/633229592.db2.gz JSDPIMPJAYRREK-OAHLLOKOSA-N 1 0 261.365 3.213 20 10 CGCDRO Cc1cc(O)c(C[N@H+](C)C[C@H]2CCCCO2)cc1Cl ZINC000824610434 633264485 /nfs/dbraw/zinc/26/44/85/633264485.db2.gz MNELBTCLFUYANG-CYBMUJFWSA-N 1 0 283.799 3.355 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCO[C@@H](c3ccccc3)C2)c(O)c1 ZINC000876562410 634859193 /nfs/dbraw/zinc/85/91/93/634859193.db2.gz QCIBFGAKQOBRJD-GOSISDBHSA-N 1 0 283.371 3.274 20 10 CGCDRO CCC1(CO)CC[NH+](Cc2cc(Cl)c(C)cc2O)CC1 ZINC000824851257 633301244 /nfs/dbraw/zinc/30/12/44/633301244.db2.gz XHTBDKQSVKDBCD-UHFFFAOYSA-N 1 0 297.826 3.339 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCSC[C@H]1C1CC1 ZINC000824914534 633304887 /nfs/dbraw/zinc/30/48/87/633304887.db2.gz UHRVQTNUHOKGPX-ZDUSSCGKSA-N 1 0 283.824 3.373 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+][C@H]2C[C@@H](C)n3ccnc32)c1O ZINC000825017581 633318622 /nfs/dbraw/zinc/31/86/22/633318622.db2.gz VKQDDHOQCDKESR-MFKMUULPSA-N 1 0 291.782 3.346 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc1Cl ZINC000825304009 633343485 /nfs/dbraw/zinc/34/34/85/633343485.db2.gz PJCIWKHEFALPEK-GLQYFDAESA-N 1 0 295.810 3.257 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2CCCC[C@H]2C[C@@H](C)O)cc1Cl ZINC000825731037 633377892 /nfs/dbraw/zinc/37/78/92/633377892.db2.gz CIZDJWWHHKTRLA-OCCSQVGLSA-N 1 0 297.826 3.479 20 10 CGCDRO CO[C@@H]1CC[N@H+](Cc2cc(Cl)c(C)cc2O)[C@H](C)C1 ZINC000825774562 633381640 /nfs/dbraw/zinc/38/16/40/633381640.db2.gz YLMSKEOZJAZVSZ-DGCLKSJQSA-N 1 0 283.799 3.353 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](O)C23CCCC3)cc1Cl ZINC000826011815 633397109 /nfs/dbraw/zinc/39/71/09/633397109.db2.gz IXOZUJCVGVDTDI-OAHLLOKOSA-N 1 0 295.810 3.233 20 10 CGCDRO CC[C@H]([NH2+]Cc1cc(Cl)c(C)cc1O)[C@H](O)C(C)C ZINC000826121231 633406332 /nfs/dbraw/zinc/40/63/32/633406332.db2.gz NXBILHISRXSGFA-DZGCQCFKSA-N 1 0 285.815 3.239 20 10 CGCDRO Cc1cccc(C[NH2+]C[C@@H]2C[C@H](c3ccccc3)CO2)c1O ZINC000827236913 633473683 /nfs/dbraw/zinc/47/36/83/633473683.db2.gz HHPVPJJLSMKQBS-ROUUACIJSA-N 1 0 297.398 3.363 20 10 CGCDRO C[C@@]1(CC[NH2+]Cc2cc(F)ccc2O)CC1(F)F ZINC000827252171 633476306 /nfs/dbraw/zinc/47/63/06/633476306.db2.gz XYRYDFDXJYZPMQ-GFCCVEGCSA-N 1 0 259.271 3.056 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](CCF)C2)cc1F ZINC000827272366 633476938 /nfs/dbraw/zinc/47/69/38/633476938.db2.gz ZVPWZIATJIISNA-ZDUSSCGKSA-N 1 0 282.378 3.463 20 10 CGCDRO CN(c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000827544922 633497116 /nfs/dbraw/zinc/49/71/16/633497116.db2.gz NYMXQNJCMHYRKJ-KRWDZBQOSA-N 1 0 282.387 3.103 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H](C)C2CCC(F)CC2)c1 ZINC000827537819 633497221 /nfs/dbraw/zinc/49/72/21/633497221.db2.gz IKESZIXOIYXPDH-DCBWTQNWSA-N 1 0 281.371 3.407 20 10 CGCDRO CCCCCC[N@H+](C)CC(=O)N[C@H](C)c1ccccc1O ZINC000827937392 633537716 /nfs/dbraw/zinc/53/77/16/633537716.db2.gz VDLVLUKQUCCIRP-CQSZACIVSA-N 1 0 292.423 3.082 20 10 CGCDRO C[N@H+](CCc1c(F)cccc1F)Cc1ccccc1O ZINC000828062037 633554667 /nfs/dbraw/zinc/55/46/67/633554667.db2.gz AKVHVXMYPSPAQH-UHFFFAOYSA-N 1 0 277.314 3.345 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H](C)[C@@](C)(O)c2ccccc2)c1O ZINC000846035457 636133234 /nfs/dbraw/zinc/13/32/34/636133234.db2.gz HWIOSMDKPICNFS-KBXCAEBGSA-N 1 0 285.387 3.086 20 10 CGCDRO CCC1([NH2+]C2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000830498928 633867622 /nfs/dbraw/zinc/86/76/22/633867622.db2.gz PQOUVDDVWKBXLR-UHFFFAOYSA-N 1 0 274.408 3.196 20 10 CGCDRO CCC[C@H](C)[C@@H](CO)[NH2+][C@H](C)c1ccc(C)cc1O ZINC000846183712 636154956 /nfs/dbraw/zinc/15/49/56/636154956.db2.gz JHMJRXMEHYYDPM-GZBFAFLISA-N 1 0 265.397 3.148 20 10 CGCDRO CCC[C@H](C)[C@@H](CO)[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000846184685 636155784 /nfs/dbraw/zinc/15/57/84/636155784.db2.gz QMDJQUDKTDGCEI-MISXGVKJSA-N 1 0 285.815 3.493 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1)c1ccccc1O ZINC000872109624 634034602 /nfs/dbraw/zinc/03/46/02/634034602.db2.gz PBTXYYXPVZTUCB-ZWUHOBOKSA-N 1 0 261.365 3.000 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCC[C@@H]2CCOC2=O)c(O)c1C ZINC000872111167 634035200 /nfs/dbraw/zinc/03/52/00/634035200.db2.gz AFRPQYJDTALJDQ-ZIAGYGMSSA-N 1 0 291.391 3.003 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCC[C@H]2CCOC2=O)c(O)c1 ZINC000872114211 634039322 /nfs/dbraw/zinc/03/93/22/634039322.db2.gz UTNQSCVIAINOOW-KGLIPLIRSA-N 1 0 291.391 3.003 20 10 CGCDRO C[C@H]([NH2+][C@@H](CO)CCF)c1ccc(N2CCCCC2)cc1 ZINC000846209735 636159325 /nfs/dbraw/zinc/15/93/25/636159325.db2.gz TYINELOBUUALQW-GOEBONIOSA-N 1 0 294.414 3.048 20 10 CGCDRO CSC1CC[NH+](Cc2cc3c(cc2O)CCC3)CC1 ZINC000872626102 634178682 /nfs/dbraw/zinc/17/86/82/634178682.db2.gz FWEKALITJVJREO-UHFFFAOYSA-N 1 0 277.433 3.208 20 10 CGCDRO CO[C@]1(C)C[C@@H]([NH2+][C@H]2CCc3cccc(O)c32)C1(C)C ZINC000834611440 634197441 /nfs/dbraw/zinc/19/74/41/634197441.db2.gz KMFRJBDFSVIRGO-DXCKQFNASA-N 1 0 275.392 3.173 20 10 CGCDRO C[C@H](C[C@@H](O)c1ccco1)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834625100 634201619 /nfs/dbraw/zinc/20/16/19/634201619.db2.gz SYNPPPIMBCUUGM-OSAQELSMSA-N 1 0 287.359 3.074 20 10 CGCDRO Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3cccc(O)c31)CO2 ZINC000834680903 634218995 /nfs/dbraw/zinc/21/89/95/634218995.db2.gz OETHCFPNLZBBBU-GJZGRUSLSA-N 1 0 281.355 3.411 20 10 CGCDRO COc1ccc(C[NH2+]C2(C)CCCC2)cc1Cn1cccn1 ZINC000873037996 634235033 /nfs/dbraw/zinc/23/50/33/634235033.db2.gz HKDRIPQZGJHAIP-UHFFFAOYSA-N 1 0 299.418 3.362 20 10 CGCDRO Cn1nc(C[NH2+][C@@H]2CCc3cccc(O)c32)c2ccccc21 ZINC000834765803 634237984 /nfs/dbraw/zinc/23/79/84/634237984.db2.gz OYGLMRKMAXGFJC-CQSZACIVSA-N 1 0 293.370 3.056 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@H](C)[C@@H]2CCOC2)cc1C ZINC000873061438 634239933 /nfs/dbraw/zinc/23/99/33/634239933.db2.gz JTIBCFLCJFABMA-GDBMZVCRSA-N 1 0 277.408 3.298 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCn3ccnc32)c(O)c1C ZINC000834833272 634252097 /nfs/dbraw/zinc/25/20/97/634252097.db2.gz XMKQFIQETZMFKM-JSGCOSHPSA-N 1 0 271.364 3.001 20 10 CGCDRO CCC[C@H](C[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F)OC ZINC000834840563 634255208 /nfs/dbraw/zinc/25/52/08/634255208.db2.gz KNRIFFAJSRFHTA-LOWVWBTDSA-N 1 0 281.371 3.484 20 10 CGCDRO CC(C)[C@@H]1C[C@@H](C[NH2+][C@@H]2CCc3cccc(O)c32)CCO1 ZINC000834884839 634266382 /nfs/dbraw/zinc/26/63/82/634266382.db2.gz DBOYHNBIEQYSNZ-LXZKKBNFSA-N 1 0 289.419 3.420 20 10 CGCDRO CO[C@@H]([C@H](C)[NH2+][C@@H](C)c1ccc(C)c(C)c1O)C1CC1 ZINC000834901985 634279363 /nfs/dbraw/zinc/27/93/63/634279363.db2.gz CKBRILIQINOHEC-DCGLDWPTSA-N 1 0 277.408 3.473 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2COCC2(C)C)c2c1c(F)ccc2O ZINC000834904894 634281117 /nfs/dbraw/zinc/28/11/17/634281117.db2.gz PWAIPPFKHKTDCT-SUZMYJTESA-N 1 0 279.355 3.094 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1)c1ccccc1O ZINC000834905915 634281935 /nfs/dbraw/zinc/28/19/35/634281935.db2.gz WWINUHHXAJVTNV-PMUMKWKESA-N 1 0 298.386 3.358 20 10 CGCDRO Cc1cnc(CC[NH2+][C@H](C)c2ccc(C)c(C)c2O)cn1 ZINC000834910715 634285623 /nfs/dbraw/zinc/28/56/23/634285623.db2.gz YGXQJGUAYRHDAT-CQSZACIVSA-N 1 0 285.391 3.001 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CC[C@H](C)O2)c(O)c1 ZINC000834915935 634286524 /nfs/dbraw/zinc/28/65/24/634286524.db2.gz UWOBCXRWHJQXIU-IHRRRGAJSA-N 1 0 263.381 3.227 20 10 CGCDRO CCO[C@H]1CCC[N@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835025476 634324528 /nfs/dbraw/zinc/32/45/28/634324528.db2.gz VMDZYHRHWSLINI-YEODSOHDSA-N 1 0 288.435 3.267 20 10 CGCDRO CC[N@H+](C/C=C\c1ccc(N(C)C)cc1)Cc1cnn(C)c1 ZINC000835026761 634325434 /nfs/dbraw/zinc/32/54/34/634325434.db2.gz GUWNTYNHUAEGPU-SREVYHEPSA-N 1 0 298.434 3.021 20 10 CGCDRO Cc1cccc(C[NH2+]C/C=C/c2ccc(N(C)C)cc2)n1 ZINC000835034681 634326821 /nfs/dbraw/zinc/32/68/21/634326821.db2.gz CLNUFOALURKPQP-FNORWQNLSA-N 1 0 281.403 3.259 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+]Cc2ccco2)cc1 ZINC000835034589 634327575 /nfs/dbraw/zinc/32/75/75/634327575.db2.gz WINHFKZMNHHQKB-HYXAFXHYSA-N 1 0 256.349 3.149 20 10 CGCDRO Cc1cc(C[C@H](C)[NH2+]C/C=C/c2ccc(N(C)C)cc2)[nH]n1 ZINC000835043916 634331651 /nfs/dbraw/zinc/33/16/51/634331651.db2.gz VZVHQXVRRFTVQR-GJBLVYBDSA-N 1 0 298.434 3.018 20 10 CGCDRO CO[C@@H]1CCC[N@H+](C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000835046923 634333665 /nfs/dbraw/zinc/33/36/65/634333665.db2.gz AHTQTISVGDOWMX-MJICGBHWSA-N 1 0 288.435 3.267 20 10 CGCDRO CC(C)C[C@H](CO)[N@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835054505 634337821 /nfs/dbraw/zinc/33/78/21/634337821.db2.gz WEXKXUHQFJFKIG-HPFMTEOYSA-N 1 0 290.451 3.105 20 10 CGCDRO CC[N@H+](C/C=C\c1ccc(N(C)C)cc1)C[C@H](C)OC ZINC000835055748 634339272 /nfs/dbraw/zinc/33/92/72/634339272.db2.gz OGQRHLFECVNODJ-LZNQSLFOSA-N 1 0 276.424 3.123 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CCOC(C)(C)C2)cc1F ZINC000835059541 634341732 /nfs/dbraw/zinc/34/17/32/634341732.db2.gz IZGIIQPDWZDHHB-AWEZNQCLSA-N 1 0 294.414 3.187 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CCC2CC(F)(F)C2)cc1 ZINC000835059485 634342133 /nfs/dbraw/zinc/34/21/33/634342133.db2.gz ADUKPHBGIPGBCB-UHFFFAOYSA-N 1 0 268.351 3.278 20 10 CGCDRO COc1cc(O)c(C[NH2+][C@@]2(C)CCCC[C@@H]2C)cc1OC ZINC000835072389 634345325 /nfs/dbraw/zinc/34/53/25/634345325.db2.gz FBOFJRFIGVMXOY-SJCJKPOMSA-N 1 0 293.407 3.468 20 10 CGCDRO Cc1cc([C@H]2CCC[N@@H+]2Cc2c(C)cccc2O)no1 ZINC000876591521 634863403 /nfs/dbraw/zinc/86/34/03/634863403.db2.gz KBDRPRXIZHCQHP-OAHLLOKOSA-N 1 0 272.348 3.334 20 10 CGCDRO CC[C@H](C)C[N@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876611074 634868130 /nfs/dbraw/zinc/86/81/30/634868130.db2.gz QAZHZGPILXXSRV-HNNXBMFYSA-N 1 0 290.451 3.126 20 10 CGCDRO Cc1ncc(C[N@@H+](C)Cc2c(C)cccc2O)s1 ZINC000876622732 634870063 /nfs/dbraw/zinc/87/00/63/634870063.db2.gz LJDUFPCHHPKHOB-UHFFFAOYSA-N 1 0 262.378 3.098 20 10 CGCDRO Cc1cccc(O)c1CN1CCC[N@@H+](C2CCCC2)CC1 ZINC000876656080 634875260 /nfs/dbraw/zinc/87/52/60/634875260.db2.gz DEVUMNKWOZHWFP-UHFFFAOYSA-N 1 0 288.435 3.151 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCCC[C@H](N2CCCC2)C1 ZINC000876663368 634877743 /nfs/dbraw/zinc/87/77/43/634877743.db2.gz UBXSFTHJYRRKJK-INIZCTEOSA-N 1 0 288.435 3.151 20 10 CGCDRO Cc1cccc(O)c1C[N@H+](CCCO)Cc1ccccc1 ZINC000876691609 634882082 /nfs/dbraw/zinc/88/20/82/634882082.db2.gz GTESXBMHTQOLRH-UHFFFAOYSA-N 1 0 285.387 3.085 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CCC[C@H]2CCO2)cc1 ZINC000876945166 634934203 /nfs/dbraw/zinc/93/42/03/634934203.db2.gz VARAYJHBNSRAHH-KRWDZBQOSA-N 1 0 276.424 3.192 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]Cc1cccc(N(C)C)c1 ZINC000877016067 634951571 /nfs/dbraw/zinc/95/15/71/634951571.db2.gz BXJRIILXFXJZRC-UHFFFAOYSA-N 1 0 270.376 3.056 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]Cc1ccc(C2OCCO2)cc1 ZINC000877030465 634956215 /nfs/dbraw/zinc/95/62/15/634956215.db2.gz HUAUYBDRRINUSP-UHFFFAOYSA-N 1 0 299.370 3.036 20 10 CGCDRO COc1cccc2c1OCC[C@H]2[NH2+]Cc1ccc(C)cc1O ZINC000877032598 634957017 /nfs/dbraw/zinc/95/70/17/634957017.db2.gz MKSIQSUYWZFJFA-OAHLLOKOSA-N 1 0 299.370 3.323 20 10 CGCDRO C[C@H]1C[C@H]([NH2+]CCCSc2nccs2)CS1 ZINC000877062181 634967728 /nfs/dbraw/zinc/96/77/28/634967728.db2.gz ZWOLNAAZOUEPNZ-UWVGGRQHSA-N 1 0 274.480 3.109 20 10 CGCDRO COc1ccc2c(c1)OCC[C@H]2[NH2+]Cc1ccc(C)cc1O ZINC000877063754 634968710 /nfs/dbraw/zinc/96/87/10/634968710.db2.gz IYJOQCQCZGGGDI-MRXNPFEDSA-N 1 0 299.370 3.323 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]CCC[C@@H]1CCCC[C@@H]1O ZINC000877098885 634984863 /nfs/dbraw/zinc/98/48/63/634984863.db2.gz WTLAHPHQWRZQJP-HOCLYGCPSA-N 1 0 277.408 3.122 20 10 CGCDRO COc1ccc(C[NH2+]Cc2c(C)cccc2O)c(C)c1 ZINC000877109741 634986204 /nfs/dbraw/zinc/98/62/04/634986204.db2.gz FEDHYAATCLZTHR-UHFFFAOYSA-N 1 0 271.360 3.307 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]C[C@@H](C)c1nccs1 ZINC000877339430 635028946 /nfs/dbraw/zinc/02/89/46/635028946.db2.gz ZYOOOJFZUXUWCG-LLVKDONJSA-N 1 0 262.378 3.050 20 10 CGCDRO CSCCCCC[NH2+]Cc1c(C)cccc1O ZINC000877421639 635038862 /nfs/dbraw/zinc/03/88/62/635038862.db2.gz FQTMYCOMAUEADI-UHFFFAOYSA-N 1 0 253.411 3.324 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)[C@@H]1C[C@H]1C ZINC000840714584 635040384 /nfs/dbraw/zinc/04/03/84/635040384.db2.gz WAAQEIZQXICNBM-JKIFEVAISA-N 1 0 258.409 3.421 20 10 CGCDRO CC(C)O[C@H]1C[C@@H]([NH2+][C@@H](C)c2cc(F)ccc2O)C1 ZINC000840764419 635048744 /nfs/dbraw/zinc/04/87/44/635048744.db2.gz PGTSCCMMQITFTL-WCFLWFBJSA-N 1 0 267.344 3.138 20 10 CGCDRO CC[C@@H](C)c1nnc([C@H](C)[NH2+]Cc2ccc(C)cc2O)[nH]1 ZINC000877475544 635051259 /nfs/dbraw/zinc/05/12/59/635051259.db2.gz SKQUGYPYIVIQFV-NEPJUHHUSA-N 1 0 288.395 3.183 20 10 CGCDRO COCC[C@H](C)C[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000840835736 635060922 /nfs/dbraw/zinc/06/09/22/635060922.db2.gz PDZOFLICKUYBID-GMXVVIOVSA-N 1 0 281.371 3.342 20 10 CGCDRO Cc1ccc(C[NH2+][C@]2(CO)CCCc3ccccc32)c(O)c1 ZINC000877499880 635062727 /nfs/dbraw/zinc/06/27/27/635062727.db2.gz WFOLAXLZELLZAU-IBGZPJMESA-N 1 0 297.398 3.014 20 10 CGCDRO Cc1ccc(C[NH2+]CC2(C(F)(F)F)CC2)c(O)c1 ZINC000877520234 635069376 /nfs/dbraw/zinc/06/93/76/635069376.db2.gz QHAHLCSZIQBVBM-UHFFFAOYSA-N 1 0 259.271 3.133 20 10 CGCDRO COc1ccc(C[NH2+]Cc2c(O)cc(C)cc2Cl)cn1 ZINC000840874533 635069961 /nfs/dbraw/zinc/06/99/61/635069961.db2.gz GMHUSMXMFNAZJW-UHFFFAOYSA-N 1 0 292.766 3.047 20 10 CGCDRO Cc1cc(O)c(CNc2[nH+]ccn2C2CC2)c(Cl)c1 ZINC000840887247 635075132 /nfs/dbraw/zinc/07/51/32/635075132.db2.gz UIQSTRIJNPMXGE-UHFFFAOYSA-N 1 0 277.755 3.498 20 10 CGCDRO CC(C)(C[NH2+][C@@H]1CCc2cccc(O)c21)c1cccnc1 ZINC000840892036 635077063 /nfs/dbraw/zinc/07/70/63/635077063.db2.gz MNIDEVRGHJYHLG-OAHLLOKOSA-N 1 0 282.387 3.342 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CC2(CCO)CCCC2)c(Cl)c1 ZINC000840902268 635078752 /nfs/dbraw/zinc/07/87/52/635078752.db2.gz NDPNQLJPRAKQIS-UHFFFAOYSA-N 1 0 297.826 3.386 20 10 CGCDRO CC[NH+]1CCC(N(C)Cc2c(O)cc(C)cc2Cl)CC1 ZINC000840909246 635080106 /nfs/dbraw/zinc/08/01/06/635080106.db2.gz DWGNLDIINZBUJH-UHFFFAOYSA-N 1 0 296.842 3.270 20 10 CGCDRO Cc1ccc(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c(O)c1 ZINC000877544523 635081511 /nfs/dbraw/zinc/08/15/11/635081511.db2.gz YVRXSTBVESFZIF-KGLIPLIRSA-N 1 0 267.319 3.178 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000877544469 635082196 /nfs/dbraw/zinc/08/21/96/635082196.db2.gz XCRGPDBXNYCRMY-UONOGXRCSA-N 1 0 267.319 3.178 20 10 CGCDRO CCC1(CO)CC[NH+](Cc2ccc(N(C)C)cc2C)CC1 ZINC000840917856 635082905 /nfs/dbraw/zinc/08/29/05/635082905.db2.gz OOXRVJWVNKCFNY-UHFFFAOYSA-N 1 0 290.451 3.046 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@]1(C)CCCS1 ZINC000840938076 635085588 /nfs/dbraw/zinc/08/55/88/635085588.db2.gz MQNXWLMQPGJMCN-INIZCTEOSA-N 1 0 278.465 3.436 20 10 CGCDRO CS[C@H]1CC[C@H]1[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840936840 635086246 /nfs/dbraw/zinc/08/62/46/635086246.db2.gz GVYKTAIRJNLEKC-CABCVRRESA-N 1 0 264.438 3.045 20 10 CGCDRO CSCCC[N@H+](C)Cc1ccc(N(C)C)cc1C ZINC000840942423 635088458 /nfs/dbraw/zinc/08/84/58/635088458.db2.gz MKZYPRQOWNBCDI-UHFFFAOYSA-N 1 0 266.454 3.246 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cnc(C2CC2)o1 ZINC000840951634 635090453 /nfs/dbraw/zinc/09/04/53/635090453.db2.gz CWWSZWCJZWGHRX-UHFFFAOYSA-N 1 0 285.391 3.216 20 10 CGCDRO COc1cccc(C[NH2+]C[C@H]2CCC[C@H]2C2CC2)c1O ZINC000840954077 635091935 /nfs/dbraw/zinc/09/19/35/635091935.db2.gz CRMHKVOYQSDESH-HIFRSBDPSA-N 1 0 275.392 3.317 20 10 CGCDRO COCC1CCC([NH2+]Cc2cc(Cl)ccc2O)CC1 ZINC000840961613 635093987 /nfs/dbraw/zinc/09/39/87/635093987.db2.gz BYBZZYASKKQNCQ-UHFFFAOYSA-N 1 0 283.799 3.340 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]C/C=C\c2ccc(N(C)C)cc2)CS1 ZINC000840959599 635094121 /nfs/dbraw/zinc/09/41/21/635094121.db2.gz WZTCBQOXHICTNL-DTJRNEMCSA-N 1 0 276.449 3.249 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCCC[C@H]2F)cc1C ZINC000840962022 635095199 /nfs/dbraw/zinc/09/51/99/635095199.db2.gz HOJIKGXLAMTGPQ-ZIAGYGMSSA-N 1 0 251.345 3.379 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+][C@H](C)C2(OC)CCC2)c1O ZINC000840969278 635095810 /nfs/dbraw/zinc/09/58/10/635095810.db2.gz DJUMBJUDRSMMAM-SNVBAGLBSA-N 1 0 299.798 3.101 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1cscn1 ZINC000840974956 635098150 /nfs/dbraw/zinc/09/81/50/635098150.db2.gz ALGYFYNZFGFXBS-CYBMUJFWSA-N 1 0 289.448 3.238 20 10 CGCDRO Cc1ccc(C[NH2+]CC(C)(C)c2cccnc2)c(O)c1 ZINC000877592952 635105708 /nfs/dbraw/zinc/10/57/08/635105708.db2.gz WYPVRAAVZURNLI-UHFFFAOYSA-N 1 0 270.376 3.163 20 10 CGCDRO COc1ccc(N(C)C[C@H]2CC[NH2+][C@H](C)C2)cc1Cl ZINC000841011824 635106359 /nfs/dbraw/zinc/10/63/59/635106359.db2.gz ONAWGZGESLJWDF-NEPJUHHUSA-N 1 0 282.815 3.173 20 10 CGCDRO COc1cccc(O)c1CNc1ccc([C@@H](C)[NH3+])cc1 ZINC000841028262 635108127 /nfs/dbraw/zinc/10/81/27/635108127.db2.gz NVRFMQZEELWCAH-LLVKDONJSA-N 1 0 272.348 3.033 20 10 CGCDRO Nc1ccc(CC[NH2+][C@H]2CCC[C@@H](C3CC3)C2)cc1 ZINC000841035194 635111211 /nfs/dbraw/zinc/11/12/11/635111211.db2.gz LDOZEVCLNULEGA-WBVHZDCISA-N 1 0 258.409 3.370 20 10 CGCDRO CCN(Cc1ccccc1)c1ccc(CNCC[NH2+]C)cc1 ZINC000841036101 635111510 /nfs/dbraw/zinc/11/15/10/635111510.db2.gz OMECPVIDWNONTL-UHFFFAOYSA-N 1 0 297.446 3.022 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000877617962 635114437 /nfs/dbraw/zinc/11/44/37/635114437.db2.gz AVLGCCSFVYIJQL-OAHLLOKOSA-N 1 0 275.392 3.234 20 10 CGCDRO COc1c(C)cccc1C[NH2+]Cc1c(C)cccc1O ZINC000877618468 635116270 /nfs/dbraw/zinc/11/62/70/635116270.db2.gz VVCJTQXKGAWMHV-UHFFFAOYSA-N 1 0 271.360 3.307 20 10 CGCDRO Cc1cccc(C[NH2+]Cc2ccc3c(c2)CCCN3)c1O ZINC000841069802 635117435 /nfs/dbraw/zinc/11/74/35/635117435.db2.gz DZAPNPVOLKCSPG-UHFFFAOYSA-N 1 0 282.387 3.349 20 10 CGCDRO Cc1cc(N)cc(C[NH2+]Cc2ccc(N(C)C)cc2C)c1 ZINC000841070403 635117705 /nfs/dbraw/zinc/11/77/05/635117705.db2.gz CTVQFMYUKDUOMQ-UHFFFAOYSA-N 1 0 283.419 3.241 20 10 CGCDRO COc1ccc(C[NH2+]Cc2cc(C)cc(N)c2)cc1C ZINC000841073689 635117831 /nfs/dbraw/zinc/11/78/31/635117831.db2.gz WEIKLKOTCOXOQJ-UHFFFAOYSA-N 1 0 270.376 3.184 20 10 CGCDRO CC[C@@H](C)CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877624326 635118077 /nfs/dbraw/zinc/11/80/77/635118077.db2.gz NGHQCBUFSWGUQD-OAHLLOKOSA-N 1 0 290.451 3.174 20 10 CGCDRO CSCC1(CC[NH2+]Cc2ccc(C)cc2O)CC1 ZINC000877625483 635118724 /nfs/dbraw/zinc/11/87/24/635118724.db2.gz ZCIODBMMLGCKAV-UHFFFAOYSA-N 1 0 265.422 3.324 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC000877646920 635130007 /nfs/dbraw/zinc/13/00/07/635130007.db2.gz NBOCDYYFJAPUHV-SNVBAGLBSA-N 1 0 274.191 3.374 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000877649793 635131087 /nfs/dbraw/zinc/13/10/87/635131087.db2.gz JAVXVNFBHWWSQZ-TXEJJXNPSA-N 1 0 269.335 3.424 20 10 CGCDRO Cc1ccc(C[NH2+]CC[C@H]2CCCS2)c(O)c1 ZINC000877697283 635148679 /nfs/dbraw/zinc/14/86/79/635148679.db2.gz DUOVZPAOQIZLAO-CYBMUJFWSA-N 1 0 251.395 3.076 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]CC1([C@@H]2CCCCO2)CCC1 ZINC000877698434 635150234 /nfs/dbraw/zinc/15/02/34/635150234.db2.gz UXNFJINHTUNKNO-INIZCTEOSA-N 1 0 293.382 3.360 20 10 CGCDRO CC[C@H](C[C@H](C)O)[NH2+]Cc1ccc2ccccc2c1O ZINC000877778892 635200732 /nfs/dbraw/zinc/20/07/32/635200732.db2.gz WAOMDAXPGNOYHT-SWLSCSKDSA-N 1 0 273.376 3.185 20 10 CGCDRO C[C@@H]([NH2+][C@H](CO)CC(C)(C)C)c1ccc(Cl)cc1O ZINC000841752257 635225105 /nfs/dbraw/zinc/22/51/05/635225105.db2.gz RUYBNEQPWKMEON-PWSUYJOCSA-N 1 0 285.815 3.493 20 10 CGCDRO CO[C@H](C)[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841753838 635227793 /nfs/dbraw/zinc/22/77/93/635227793.db2.gz WZOUTKXPLUZUIV-LPEHRKFASA-N 1 0 257.761 3.120 20 10 CGCDRO CC[C@H]([NH2+]Cc1cc(OC)c(OC)cc1O)[C@H]1CC1(C)C ZINC000841890979 635247709 /nfs/dbraw/zinc/24/77/09/635247709.db2.gz LJYLFPWQBNQEDU-OLZOCXBDSA-N 1 0 293.407 3.324 20 10 CGCDRO Cc1cccc(C[NH2+][C@H](CO)CC2CCCCC2)c1O ZINC000841893905 635248352 /nfs/dbraw/zinc/24/83/52/635248352.db2.gz QLHUDITUMHBNKM-INIZCTEOSA-N 1 0 277.408 3.122 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@H](c3cccnc3)C2)c1 ZINC000842621384 635421068 /nfs/dbraw/zinc/42/10/68/635421068.db2.gz DBTDALRNJAVLHD-INIZCTEOSA-N 1 0 282.387 3.394 20 10 CGCDRO CC[N@H+](CCSC)Cc1cc(C)cc(C)c1O ZINC000842644357 635426398 /nfs/dbraw/zinc/42/63/98/635426398.db2.gz MQVQFFQCYLCGHR-UHFFFAOYSA-N 1 0 253.411 3.194 20 10 CGCDRO Cc1ccc(C[N@@H+](C)Cc2ccccc2O)nc1Cl ZINC000878242327 635428658 /nfs/dbraw/zinc/42/86/58/635428658.db2.gz ORSHOBTXPHBAIG-UHFFFAOYSA-N 1 0 276.767 3.381 20 10 CGCDRO Oc1ccccc1C[NH2+]C[C@@H]1CSc2ccccc2O1 ZINC000842727157 635451261 /nfs/dbraw/zinc/45/12/61/635451261.db2.gz UVIFJDGKZAVUJC-CYBMUJFWSA-N 1 0 287.384 3.035 20 10 CGCDRO Cc1ccccc1C1([NH2+]Cc2cc3c(cc2O)OCO3)CC1 ZINC000842733219 635453700 /nfs/dbraw/zinc/45/37/00/635453700.db2.gz ZIBWUXGDDUSGHW-UHFFFAOYSA-N 1 0 297.354 3.208 20 10 CGCDRO Cc1ccccc1C1([NH2+]Cc2ccccc2O)CC1 ZINC000842732663 635453875 /nfs/dbraw/zinc/45/38/75/635453875.db2.gz OFWCSCJHJHUDFQ-UHFFFAOYSA-N 1 0 253.345 3.480 20 10 CGCDRO C[C@@H]1SCC[C@@H]1[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000842779019 635470948 /nfs/dbraw/zinc/47/09/48/635470948.db2.gz JEHHDGUCYLHUHQ-SCVPAZLYSA-N 1 0 276.449 3.249 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1CC2(CCC2)CO1)c1ccccc1O ZINC000878354277 635473143 /nfs/dbraw/zinc/47/31/43/635473143.db2.gz HVUIKJBWNHGMFO-CHWSQXEVSA-N 1 0 261.365 3.002 20 10 CGCDRO CC[C@H](C)C[C@@H](CO)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000842913272 635510720 /nfs/dbraw/zinc/51/07/20/635510720.db2.gz AZRWTGHOMYNILR-LZWOXQAQSA-N 1 0 278.440 3.200 20 10 CGCDRO CC[C@H](C)C[C@H](CO)[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000842916414 635511956 /nfs/dbraw/zinc/51/19/56/635511956.db2.gz JQXWNCITHZZWCF-TUKIKUTGSA-N 1 0 279.424 3.457 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CO[C@H](C)C2)c1O ZINC000842927201 635514880 /nfs/dbraw/zinc/51/48/80/635514880.db2.gz CSRJCGTUTHFTNA-JFGNBEQYSA-N 1 0 269.772 3.182 20 10 CGCDRO Cc1ccsc1CN1CCCc2cc(C[NH3+])ccc21 ZINC000843057887 635553609 /nfs/dbraw/zinc/55/36/09/635553609.db2.gz WSLBLSUSSLSFRD-UHFFFAOYSA-N 1 0 272.417 3.468 20 10 CGCDRO Cc1cc(N(C)C)ccc1CN(CC[NH3+])Cc1ccccc1 ZINC000843060234 635555298 /nfs/dbraw/zinc/55/52/98/635555298.db2.gz YLWHEAQZVWYDMB-UHFFFAOYSA-N 1 0 297.446 3.022 20 10 CGCDRO CN(C)c1ccc(/C=C\CN[C@H]2CC[NH2+]C23CCCC3)cc1 ZINC000843129071 635563283 /nfs/dbraw/zinc/56/32/83/635563283.db2.gz QJHSULDSXIYMTE-XFHJGTJQSA-N 1 0 299.462 3.030 20 10 CGCDRO C[C@H]1CCC[C@@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000105505011 635872915 /nfs/dbraw/zinc/87/29/15/635872915.db2.gz ZEIHHNBVRWFVSX-CABZTGNLSA-N 1 0 284.197 3.433 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C2CC(C(F)F)C2)c1 ZINC000845970648 636125758 /nfs/dbraw/zinc/12/57/58/636125758.db2.gz BAKQVGBUZHLWDE-IDKOKCKLSA-N 1 0 271.307 3.095 20 10 CGCDRO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)[N@@H+]1Cc1ccccc1O ZINC000846005231 636128309 /nfs/dbraw/zinc/12/83/09/636128309.db2.gz ABRKOUSVMJBCBF-TZMCWYRMSA-N 1 0 291.391 3.087 20 10 CGCDRO COc1cccc(C[NH2+][C@@H]2C[C@H]2CC(C)(C)C)c1O ZINC000846025294 636131223 /nfs/dbraw/zinc/13/12/23/636131223.db2.gz FBXFWRYYOXKPMW-QWHCGFSZSA-N 1 0 263.381 3.315 20 10 CGCDRO Cc1cccc(C[NH2+]CC[C@]2(C)C[C@]2(F)Cl)c1O ZINC000846041461 636136755 /nfs/dbraw/zinc/13/67/55/636136755.db2.gz XXSBCPKHCZHYPA-ZIAGYGMSSA-N 1 0 271.763 3.495 20 10 CGCDRO CC[N@H+](Cc1cc(Cl)cc(C)c1O)[C@@H]1CCCOC1 ZINC000846051121 636139013 /nfs/dbraw/zinc/13/90/13/636139013.db2.gz BIQUGKNQISAFOK-CQSZACIVSA-N 1 0 283.799 3.355 20 10 CGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1C)[C@@H]1CCCOC1 ZINC000846053996 636139339 /nfs/dbraw/zinc/13/93/39/636139339.db2.gz ZXJQHVBLOHBODP-QGZVFWFLSA-N 1 0 276.424 3.062 20 10 CGCDRO CO[C@@H]1CCCC[C@H]1[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000846056515 636140042 /nfs/dbraw/zinc/14/00/42/636140042.db2.gz QAVASCDSHLLHFK-XXCOWLKOSA-N 1 0 288.435 3.313 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@]3(CC3(F)F)C2)c1 ZINC000846110141 636145176 /nfs/dbraw/zinc/14/51/76/636145176.db2.gz ZLCKUISVJOWQAX-HNNXBMFYSA-N 1 0 297.345 3.412 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)cc1 ZINC000846110292 636145406 /nfs/dbraw/zinc/14/54/06/636145406.db2.gz IPXWDQYEDDIKMU-GASCZTMLSA-N 1 0 280.362 3.230 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]Cc2ccccc2)c1O ZINC000846135601 636148629 /nfs/dbraw/zinc/14/86/29/636148629.db2.gz DSXCPBJWJDNYHG-GFCCVEGCSA-N 1 0 257.333 3.252 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C(C2CC2)C2CC2)c1O ZINC000846141897 636149399 /nfs/dbraw/zinc/14/93/99/636149399.db2.gz BNYONBFWBQFAIW-JTQLQIEISA-N 1 0 261.365 3.240 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]Cc2ccoc2C)c1O ZINC000846142183 636149483 /nfs/dbraw/zinc/14/94/83/636149483.db2.gz QPYYBSPLHYZQJP-SNVBAGLBSA-N 1 0 261.321 3.153 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCc3c2cccc3O)c1O ZINC000846145299 636149868 /nfs/dbraw/zinc/14/98/68/636149868.db2.gz MWQKGLCEKLNBHS-IAQYHMDHSA-N 1 0 299.370 3.445 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]C2CCC(OC)CC2)c1O ZINC000846170053 636153037 /nfs/dbraw/zinc/15/30/37/636153037.db2.gz VMSSLUQFXWHMGN-PNESKVBLSA-N 1 0 279.380 3.009 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]CC2CC(F)(F)C2)c1O ZINC000846172264 636153578 /nfs/dbraw/zinc/15/35/78/636153578.db2.gz XVICPZZHUWAYIH-VIFPVBQESA-N 1 0 271.307 3.097 20 10 CGCDRO CC[C@H](C)[C@@H](C[NH2+][C@@H](C)c1cccc(OC)c1O)OC ZINC000846172627 636153641 /nfs/dbraw/zinc/15/36/41/636153641.db2.gz ZOOPAJGKQQNBCW-SLEUVZQESA-N 1 0 281.396 3.113 20 10 CGCDRO C[C@H](C[C@H](O)c1ccco1)[NH2+]Cc1c(O)cccc1Cl ZINC000130485952 636463696 /nfs/dbraw/zinc/46/36/96/636463696.db2.gz KOENOYYCSCHJDE-YGRLFVJLSA-N 1 0 295.766 3.240 20 10 CGCDRO CC(C)c1c[nH]c(C[NH2+][C@@H](C)c2ccccc2O)n1 ZINC000883226495 636597567 /nfs/dbraw/zinc/59/75/67/636597567.db2.gz ZIMWHDNAQCZMRW-NSHDSACASA-N 1 0 259.353 3.090 20 10 CGCDRO C[C@@H](Cc1ccccn1)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000848566609 636609149 /nfs/dbraw/zinc/60/91/49/636609149.db2.gz CBDXOHJHOHJJEM-MOEXGYKKSA-N 1 0 295.430 3.382 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cc(C)c(C)cc1O)[C@H]1CCCCO1 ZINC000848574172 636612733 /nfs/dbraw/zinc/61/27/33/636612733.db2.gz AZPIHWHVJQKPAU-NVXWUHKLSA-N 1 0 277.408 3.446 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2C[C@H](OC)C2)cc1F ZINC000883263512 636633910 /nfs/dbraw/zinc/63/39/10/636633910.db2.gz XIXKKYUDZMCIKM-SHTZXODSSA-N 1 0 294.414 3.187 20 10 CGCDRO CO[C@H]1C[C@H](C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)C1 ZINC000883272462 636642635 /nfs/dbraw/zinc/64/26/35/636642635.db2.gz NBLLGJWKZCMSOD-IHRRRGAJSA-N 1 0 263.381 3.085 20 10 CGCDRO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]Cc1ccccc1O ZINC000131360888 636643152 /nfs/dbraw/zinc/64/31/52/636643152.db2.gz UYLKWVSHMZHWNY-LSDHHAIUSA-N 1 0 263.381 3.076 20 10 CGCDRO CCc1cccc(C[N@@H+]2C[C@H](O)C[C@@H]2c2ccccc2)c1O ZINC000848916101 636690102 /nfs/dbraw/zinc/69/01/02/636690102.db2.gz CQZAUMWCBWQLIB-QZTJIDSGSA-N 1 0 297.398 3.263 20 10 CGCDRO CCOc1cccc(C[N@H+](C)C[C@@H](C)CC)c1O ZINC000132094576 636781459 /nfs/dbraw/zinc/78/14/59/636781459.db2.gz BGOGWKUCFMZFIN-LBPRGKRZSA-N 1 0 251.370 3.269 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H]2CCc3cc(N)ccc32)c1O ZINC000849352125 636817942 /nfs/dbraw/zinc/81/79/42/636817942.db2.gz IVJYXOSCNACUQI-MRXNPFEDSA-N 1 0 298.386 3.150 20 10 CGCDRO Cc1ccncc1CC[NH2+]Cc1cc(C)c(C)cc1O ZINC000850355921 637024984 /nfs/dbraw/zinc/02/49/84/637024984.db2.gz NKGZBCDXLAKTRJ-UHFFFAOYSA-N 1 0 270.376 3.045 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H]2C[C@H](O)c3ccccc32)cc1 ZINC000850370834 637033203 /nfs/dbraw/zinc/03/32/03/637033203.db2.gz TUQRTVKQCSCWGA-MSOLQXFVSA-N 1 0 282.387 3.021 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H]2C[C@H](Oc3ccccc3)C2)c1 ZINC000850373577 637036354 /nfs/dbraw/zinc/03/63/54/637036354.db2.gz ADFAROMOKGUYRE-JCNLHEQBSA-N 1 0 283.371 3.400 20 10 CGCDRO COc1ccc(C[NH2+]C[C@H]2C(C)(C)C2(F)F)cc1C ZINC000850394637 637047064 /nfs/dbraw/zinc/04/70/64/637047064.db2.gz XPFJILDQTOGUIM-ZDUSSCGKSA-N 1 0 269.335 3.385 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1C[C@@H]1C)c1cc(Br)ccc1O ZINC000134915108 637050167 /nfs/dbraw/zinc/05/01/67/637050167.db2.gz OUWLHIHNLFHBQE-LPEHRKFASA-N 1 0 284.197 3.461 20 10 CGCDRO CCOc1ccc(C[NH2+]CCCc2ccco2)c(O)c1 ZINC000850407268 637050723 /nfs/dbraw/zinc/05/07/23/637050723.db2.gz BEUOUVWUDHUAGI-UHFFFAOYSA-N 1 0 275.348 3.106 20 10 CGCDRO C[C@H](O)[C@H]([NH2+]Cc1cc(Cl)ccc1O)c1ccccc1 ZINC000850419138 637054009 /nfs/dbraw/zinc/05/40/09/637054009.db2.gz BVOVALDKPSINFT-ZBEGNZNMSA-N 1 0 291.778 3.257 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1COC(C)(C)C1)c1ccc(C)cc1O ZINC000850483229 637086634 /nfs/dbraw/zinc/08/66/34/637086634.db2.gz VHTCSCBUABJBEL-JSGCOSHPSA-N 1 0 263.381 3.309 20 10 CGCDRO CCO[C@H]1C[C@H]([NH2+][C@H](CC)c2ccc(C)cc2O)C1 ZINC000850513382 637098206 /nfs/dbraw/zinc/09/82/06/637098206.db2.gz HFNJEKWVBPUMRP-UMVBOHGHSA-N 1 0 263.381 3.309 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](C)C2(CO)CC2)c1O ZINC000850515223 637099190 /nfs/dbraw/zinc/09/91/90/637099190.db2.gz JMMMPMGUCKWWOC-GHMZBOCLSA-N 1 0 283.799 3.166 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)C1(CO)CC1)c1cc(Cl)ccc1O ZINC000850515640 637099299 /nfs/dbraw/zinc/09/92/99/637099299.db2.gz MRNJDPZWCRRPFY-MFKMUULPSA-N 1 0 283.799 3.247 20 10 CGCDRO C[C@H]([NH2+]CC[C@]1(C)CC1(F)F)c1ccccc1O ZINC000850535814 637112460 /nfs/dbraw/zinc/11/24/60/637112460.db2.gz BYEKILSPUDJPFA-GXFFZTMASA-N 1 0 255.308 3.478 20 10 CGCDRO C[C@]1(CC[NH2+][C@H]2CCc3cccc(O)c32)CC1(F)F ZINC000850535978 637112939 /nfs/dbraw/zinc/11/29/39/637112939.db2.gz GARCGAUFZMNNAA-FZMZJTMJSA-N 1 0 267.319 3.405 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H](CO)CC2CC2)c(O)c1 ZINC000850544484 637115633 /nfs/dbraw/zinc/11/56/33/637115633.db2.gz GSDQRHUAMPENFD-DZGCQCFKSA-N 1 0 277.408 3.068 20 10 CGCDRO C[C@@H]([NH2+]CCCc1ccco1)c1cc(F)ccc1O ZINC000850569381 637127663 /nfs/dbraw/zinc/12/76/63/637127663.db2.gz BXBHMOVRIILBMJ-LLVKDONJSA-N 1 0 263.312 3.408 20 10 CGCDRO C[N@H+](CCOc1cccc(F)c1)Cc1ccccc1O ZINC000109773725 637268029 /nfs/dbraw/zinc/26/80/29/637268029.db2.gz DWEPNDXXELZNJK-UHFFFAOYSA-N 1 0 275.323 3.042 20 10 CGCDRO CCCC[N@@H+](Cc1ccccc1O)C[C@H]1C[C@@]12CCOC2 ZINC000886192453 637453865 /nfs/dbraw/zinc/45/38/65/637453865.db2.gz XBFGJQJYIPGOIP-SJLPKXTDSA-N 1 0 289.419 3.421 20 10 CGCDRO CCC[N@H+](Cc1cc(C)nc(C)n1)Cc1ccccc1O ZINC000851791882 637505200 /nfs/dbraw/zinc/50/52/00/637505200.db2.gz HSPSORWWXPIKEU-UHFFFAOYSA-N 1 0 285.391 3.211 20 10 CGCDRO c1cnc2c(c1)CC[C@H]2[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000886503019 637542948 /nfs/dbraw/zinc/54/29/48/637542948.db2.gz YDAQDLLJJSNJPJ-GOSISDBHSA-N 1 0 293.414 3.459 20 10 CGCDRO CCCC[N@H+](Cc1ccccc1O)[C@@H]1CCCC[C@H]1O ZINC000852019211 637574490 /nfs/dbraw/zinc/57/44/90/637574490.db2.gz VOVDVVQAAHVFBV-NVXWUHKLSA-N 1 0 277.408 3.298 20 10 CGCDRO C[C@@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1c([O-])cccc1F ZINC000886646332 637627211 /nfs/dbraw/zinc/62/72/11/637627211.db2.gz GAKSPPNFBCBEBQ-SFYCDEOASA-N 1 0 294.414 3.445 20 10 CGCDRO Cc1cc(C[N@H+]2CCCC[C@@H]2[C@H](C)CO)ccc1N(C)C ZINC000852428745 637653161 /nfs/dbraw/zinc/65/31/61/637653161.db2.gz WCUBNTJTTRLQOS-CRAIPNDOSA-N 1 0 290.451 3.044 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC3(CCC3)CO2)c(O)c1 ZINC000886701538 637664930 /nfs/dbraw/zinc/66/49/30/637664930.db2.gz QYWADCBGJZKROS-KBPBESRZSA-N 1 0 275.392 3.310 20 10 CGCDRO CCn1nccc1C[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000853239270 637791510 /nfs/dbraw/zinc/79/15/10/637791510.db2.gz DCRTWIIYZMYFPZ-SNVBAGLBSA-N 1 0 279.771 3.113 20 10 CGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cccnc1 ZINC000124262782 638230115 /nfs/dbraw/zinc/23/01/15/638230115.db2.gz KHXWSKGXKCBIQS-UHFFFAOYSA-N 1 0 269.392 3.170 20 10 CGCDRO CC1(C)CC2(CC([NH2+]Cc3ccc4c(c3)CCO4)C2)CO1 ZINC000924901763 638422417 /nfs/dbraw/zinc/42/24/17/638422417.db2.gz UJYKBRCDVLNAAR-UHFFFAOYSA-N 1 0 287.403 3.059 20 10 CGCDRO C[C@H]([NH2+]CCC(C)(C)[NH3+])c1ccc2ccccc2c1O ZINC000925739572 638591548 /nfs/dbraw/zinc/59/15/48/638591548.db2.gz ZAJFCKGVKQVVRH-LBPRGKRZSA-N 1 0 272.392 3.323 20 10 CGCDRO C[C@H]1C[C@@H]([NH2+]Cc2cc(F)c(N(C)C)cc2F)CS1 ZINC000858176616 638649684 /nfs/dbraw/zinc/64/96/84/638649684.db2.gz CWWODVBZOQKOTG-GXSJLCMTSA-N 1 0 286.391 3.014 20 10 CGCDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000858284184 638672144 /nfs/dbraw/zinc/67/21/44/638672144.db2.gz YIDNGKLMHKMEQI-KVDYKQSPSA-N 1 0 288.435 3.167 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CO[C@@H](C3CC3)C2)c2c1c(F)ccc2O ZINC000858547716 638759185 /nfs/dbraw/zinc/75/91/85/638759185.db2.gz NWACVKPZMGDBNW-WRPZCXLFSA-N 1 0 291.366 3.237 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C2([C@@H]3CCCCO3)CC2)c(O)c1 ZINC000927162808 638849103 /nfs/dbraw/zinc/84/91/03/638849103.db2.gz SZVYAVJPIGFFQS-CJNGLKHVSA-N 1 0 275.392 3.453 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000930216329 638983365 /nfs/dbraw/zinc/98/33/65/638983365.db2.gz DVWAZQSCSZRQEG-RFQIPJPRSA-N 1 0 293.407 3.255 20 10 CGCDRO CC1CCC(C)([NH2+]Cc2cc3c(cc2O)OCO3)CC1 ZINC000116341586 639022032 /nfs/dbraw/zinc/02/20/32/639022032.db2.gz MFRNDYUKYWVORI-UHFFFAOYSA-N 1 0 277.364 3.179 20 10 CGCDRO COc1cccc(C[NH2+]CCc2ccc(C)cc2)c1O ZINC000116360729 639028209 /nfs/dbraw/zinc/02/82/09/639028209.db2.gz CCLVDTZKWLWRAK-UHFFFAOYSA-N 1 0 271.360 3.042 20 10 CGCDRO C[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000042880568 639922686 /nfs/dbraw/zinc/92/26/86/639922686.db2.gz FRXBSBPFIKVNQF-VXGBXAGGSA-N 1 0 277.364 3.037 20 10 CGCDRO COC[C@@H](Cc1ccccc1)[N@H+](C)Cc1cc(C)ccc1O ZINC000187995075 640112309 /nfs/dbraw/zinc/11/23/09/640112309.db2.gz PNRSQGXRTYTSES-GOSISDBHSA-N 1 0 299.414 3.390 20 10 CGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@H]1CC[C@H](C)O1 ZINC000188543344 640141688 /nfs/dbraw/zinc/14/16/88/640141688.db2.gz CIAVHKPQWHLXQF-DZGCQCFKSA-N 1 0 263.381 3.172 20 10 CGCDRO Cc1cccc(C[C@@H](CO)[NH2+]Cc2cc(C)c(C)cc2O)c1 ZINC000189018365 640162552 /nfs/dbraw/zinc/16/25/52/640162552.db2.gz HLSCVFCRBXVCBA-SFHVURJKSA-N 1 0 299.414 3.011 20 10 CGCDRO CO[C@H]1C[N@H+](Cc2c(O)ccc3ccccc32)CC[C@@H]1C ZINC000190195996 640232222 /nfs/dbraw/zinc/23/22/22/640232222.db2.gz OUNYXWFBDMXBGU-UGSOOPFHSA-N 1 0 285.387 3.402 20 10 CGCDRO Cc1cc(C[N@@H+]2CCO[C@@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000192595977 640390306 /nfs/dbraw/zinc/39/03/06/640390306.db2.gz KHSRJVFNENNROT-ZDUSSCGKSA-N 1 0 277.408 3.219 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1O ZINC000246023334 640652589 /nfs/dbraw/zinc/65/25/89/640652589.db2.gz KINFSRLECZSOEC-QVHKTLOISA-N 1 0 263.381 3.389 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CCOC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000090774292 640692205 /nfs/dbraw/zinc/69/22/05/640692205.db2.gz VNOZEAYRNIYNEC-HIFRSBDPSA-N 1 0 292.398 3.256 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)c1cc(OC)ccc1O)[C@H]1CCCO1 ZINC000248529189 640766821 /nfs/dbraw/zinc/76/68/21/640766821.db2.gz WOLBRXOXONBKMM-DIOULYMOSA-N 1 0 279.380 3.009 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)c1cc(F)ccc1O ZINC000248528506 640766966 /nfs/dbraw/zinc/76/69/66/640766966.db2.gz WDLUZIGWFZVRHU-LSCVPOLPSA-N 1 0 267.344 3.138 20 10 CGCDRO CCOC[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000093419148 640770848 /nfs/dbraw/zinc/77/08/48/640770848.db2.gz BITTVCJVRGXHPA-LBPRGKRZSA-N 1 0 283.799 3.294 20 10 CGCDRO CCOc1ccc(O)c(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)c1 ZINC000093442149 640771062 /nfs/dbraw/zinc/77/10/62/640771062.db2.gz YYJPCFVSMXPDMQ-OKILXGFUSA-N 1 0 275.392 3.413 20 10 CGCDRO CC1(C)[C@@H]2C[N@@H+](Cc3cc(Cl)ccc3O)C[C@@H]21 ZINC000093661064 640778766 /nfs/dbraw/zinc/77/87/66/640778766.db2.gz UXHHZQBGPNDSCI-TXEJJXNPSA-N 1 0 251.757 3.133 20 10 CGCDRO Cc1ccc(NCc2ccc(N(C)C)cc2)c(C)n1 ZINC000094664744 640800322 /nfs/dbraw/zinc/80/03/22/640800322.db2.gz MENYYTRRWJWPLY-UHFFFAOYSA-N 1 0 255.365 3.377 20 10 CGCDRO C[C@@H]([NH2+]CCN1CCCCCC1)c1cc(F)ccc1O ZINC000094617828 640800380 /nfs/dbraw/zinc/80/03/80/640800380.db2.gz RBJITEUQEYPMNX-CYBMUJFWSA-N 1 0 280.387 3.058 20 10 CGCDRO C[C@@H]1CC[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)C[C@H]1C ZINC000251762260 640833040 /nfs/dbraw/zinc/83/30/40/640833040.db2.gz KGLDMCHMVVBBRS-NQBHXWOUSA-N 1 0 277.364 3.035 20 10 CGCDRO Cc1cccc(C[N@H+]2CCS[C@H](C)[C@H]2C)c1O ZINC000252734000 640860871 /nfs/dbraw/zinc/86/08/71/640860871.db2.gz XSYPGTBBTAPVIF-VXGBXAGGSA-N 1 0 251.395 3.026 20 10 CGCDRO C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1c(O)cccc1Cl ZINC000113335955 640977048 /nfs/dbraw/zinc/97/70/48/640977048.db2.gz SHCTWOXGHDJALA-NSHDSACASA-N 1 0 291.778 3.472 20 10 CGCDRO CN(C)c1ccc(CN(C)c2[nH+]ccc3[nH]ccc32)cc1 ZINC001156923395 805753331 /nfs/dbraw/zinc/75/33/31/805753331.db2.gz AMHYJZWAAWYLJH-UHFFFAOYSA-N 1 0 280.375 3.265 20 10 CGCDRO Cc1c[nH+]c(NCc2cc3ccccc3cc2O)c(N)c1 ZINC001160205935 806235588 /nfs/dbraw/zinc/23/55/88/806235588.db2.gz CZDYRHYPUUSFBH-UHFFFAOYSA-N 1 0 279.343 3.443 20 10 CGCDRO C[C@H]1CSCC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001254010692 806329484 /nfs/dbraw/zinc/32/94/84/806329484.db2.gz JLPSVJFJRHKCPZ-AWEZNQCLSA-N 1 0 276.449 3.224 20 10 CGCDRO COc1ccc(C[C@H](C)[N@H+](C)Cc2ccccc2O)cc1 ZINC001254046103 806333918 /nfs/dbraw/zinc/33/39/18/806333918.db2.gz HKKVOJVDCQFSFX-AWEZNQCLSA-N 1 0 285.387 3.464 20 10 CGCDRO C[C@H]1C[N@H+](Cc2c(O)ccc3ccccc32)[C@@H](C)CO1 ZINC000026665261 798842021 /nfs/dbraw/zinc/84/20/21/798842021.db2.gz ARRGNVDPPDXZSA-STQMWFEESA-N 1 0 271.360 3.155 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]C[C@@]2(N(C)C)CCC[C@H](C)C2)c1 ZINC000071408278 798916893 /nfs/dbraw/zinc/91/68/93/798916893.db2.gz KCRLPTLORONOGD-MAUKXSAKSA-N 1 0 290.451 3.301 20 10 CGCDRO CCC(CC)[C@@H](C[NH2+][C@H]1CCc2cccc(O)c21)N(C)C ZINC000315646309 799238454 /nfs/dbraw/zinc/23/84/54/799238454.db2.gz XODSGRWSEISQNZ-JKSUJKDBSA-N 1 0 290.451 3.336 20 10 CGCDRO Cc1ccnc(C[NH2+]Cc2ccc(N3CCCC3)cc2)c1 ZINC000328232164 799250578 /nfs/dbraw/zinc/25/05/78/799250578.db2.gz DOFGQQAAGVQTKL-UHFFFAOYSA-N 1 0 281.403 3.280 20 10 CGCDRO CNc1ccccc1N[C@H]1C[NH2+]Cc2ccsc21 ZINC001163228515 806730673 /nfs/dbraw/zinc/73/06/73/806730673.db2.gz CGCCJZDADVMVAM-ZDUSSCGKSA-N 1 0 259.378 3.046 20 10 CGCDRO CCC[N@@H+](Cc1ccc(OC)cc1O)CC(C)C ZINC000381431672 799380341 /nfs/dbraw/zinc/38/03/41/799380341.db2.gz HFIJJXBGMVQZEV-UHFFFAOYSA-N 1 0 251.370 3.269 20 10 CGCDRO CC[C@@H](C[NH2+]Cc1ccc(N(CC)CC)cc1)OC ZINC000381765655 799386917 /nfs/dbraw/zinc/38/69/17/799386917.db2.gz VILDFNCFNGQWDJ-INIZCTEOSA-N 1 0 264.413 3.047 20 10 CGCDRO CC[C@H](C[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2C)OC ZINC000381980594 799391010 /nfs/dbraw/zinc/39/10/10/799391010.db2.gz IIKMETAXCFYYGF-XQQFMLRXSA-N 1 0 263.381 3.264 20 10 CGCDRO CC[N@@H+](Cc1c(O)ccc2ccccc21)C[C@H](C)OC ZINC000383227935 799401521 /nfs/dbraw/zinc/40/15/21/799401521.db2.gz AFYGGHPSQSRWIU-ZDUSSCGKSA-N 1 0 273.376 3.402 20 10 CGCDRO Cc1nc(C)c(C[NH2+]Cc2cc(C)ccc2O)s1 ZINC000386475580 799437111 /nfs/dbraw/zinc/43/71/11/799437111.db2.gz HFSNOJSMZCBGND-UHFFFAOYSA-N 1 0 262.378 3.064 20 10 CGCDRO C[C@H]([NH2+][C@@H](C)C(C)(C)O)c1ccc2ccccc2c1O ZINC000393971384 799491962 /nfs/dbraw/zinc/49/19/62/799491962.db2.gz MTSDLHLLAXUCDM-RYUDHWBXSA-N 1 0 273.376 3.355 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+][C@H]2CC23CCCC3)c1O ZINC000395644488 799505803 /nfs/dbraw/zinc/50/58/03/799505803.db2.gz GLSDWCDKQFLNNO-ZDUSSCGKSA-N 1 0 281.783 3.477 20 10 CGCDRO COCCCC[N@H+](C)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000397358823 799515173 /nfs/dbraw/zinc/51/51/73/799515173.db2.gz AOQCFQYCCDWVCU-UHFFFAOYSA-N 1 0 299.798 3.107 20 10 CGCDRO Cc1cc(C)c(C[NH2+]Cc2cc(Cl)ccc2O)cn1 ZINC000397483363 799516719 /nfs/dbraw/zinc/51/67/19/799516719.db2.gz GVXJDKHYEMGAAP-UHFFFAOYSA-N 1 0 276.767 3.347 20 10 CGCDRO C[C@H]([NH2+]CCCOC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000398154854 799526457 /nfs/dbraw/zinc/52/64/57/799526457.db2.gz WEIIHGMQFIWFCB-NSHDSACASA-N 1 0 290.329 3.330 20 10 CGCDRO C[C@@H](Cc1ccc(F)cc1)[NH2+]CCc1ccc(O)c(O)c1 ZINC001255858989 806772778 /nfs/dbraw/zinc/77/27/78/806772778.db2.gz MVWWWVWXIBMVCE-LBPRGKRZSA-N 1 0 289.350 3.000 20 10 CGCDRO COc1ccc(C[NH2+]C2CCC(F)(F)CC2)c(O)c1 ZINC000688499202 799748902 /nfs/dbraw/zinc/74/89/02/799748902.db2.gz HXOTXEKLABBQBV-UHFFFAOYSA-N 1 0 271.307 3.068 20 10 CGCDRO CCOc1cccc(C[NH2+]C2CCC(F)(F)CC2)c1O ZINC000688524975 799749897 /nfs/dbraw/zinc/74/98/97/799749897.db2.gz RRNFNEILNRKTBA-UHFFFAOYSA-N 1 0 285.334 3.458 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCC[C@@H](C)O2)c1 ZINC000688879402 799756631 /nfs/dbraw/zinc/75/66/31/799756631.db2.gz OYKNQHSUDNGBBV-RDBSUJKOSA-N 1 0 263.381 3.309 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@]2(C)CC2(F)F)c(O)c1 ZINC000689213624 799762128 /nfs/dbraw/zinc/76/21/28/799762128.db2.gz HOYBVLCVYSSYSK-MFKMUULPSA-N 1 0 255.308 3.397 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@]2(C)CC2(F)F)c1 ZINC000689250456 799763493 /nfs/dbraw/zinc/76/34/93/799763493.db2.gz HBFAERQIEGMMRK-TVQRCGJNSA-N 1 0 271.307 3.097 20 10 CGCDRO C[C@@H](C[NH2+][C@@H]1CCc2cccc(O)c21)c1ccccn1 ZINC000692679881 799796995 /nfs/dbraw/zinc/79/69/95/799796995.db2.gz MOFHPPCYBNRCTB-SWLSCSKDSA-N 1 0 268.360 3.168 20 10 CGCDRO CO[C@H](C[NH2+][C@@H](C)c1ccccc1O)C1CCCC1 ZINC000692933529 799804325 /nfs/dbraw/zinc/80/43/25/799804325.db2.gz JJAFCENZTYFFPQ-BLLLJJGKSA-N 1 0 263.381 3.248 20 10 CGCDRO C[C@H]([NH2+]CCC1SCCS1)c1ccccc1O ZINC000693776426 799813634 /nfs/dbraw/zinc/81/36/34/799813634.db2.gz JMJHBNUBHQTDBU-JTQLQIEISA-N 1 0 269.435 3.239 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)Cc1ccccn1)c1ccccc1O ZINC000693999287 799819890 /nfs/dbraw/zinc/81/98/90/799819890.db2.gz FGHLPLLLQKJXQR-CJNGLKHVSA-N 1 0 270.376 3.459 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CCCOC(C)(C)C)cc1 ZINC000695262140 799828056 /nfs/dbraw/zinc/82/80/56/799828056.db2.gz FKWBCYXRMYJAOD-UHFFFAOYSA-N 1 0 264.413 3.047 20 10 CGCDRO C[C@@H](C[NH2+]Cc1c(O)cccc1Cl)CC(F)F ZINC000697720288 799848603 /nfs/dbraw/zinc/84/86/03/799848603.db2.gz UQHARPXYLSSOQF-MRVPVSSYSA-N 1 0 263.715 3.427 20 10 CGCDRO C[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)CC(F)F ZINC000697734266 799848793 /nfs/dbraw/zinc/84/87/93/799848793.db2.gz GHLGWTRBEFKQJV-SNVBAGLBSA-N 1 0 255.308 3.002 20 10 CGCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1cccc(Cl)n1 ZINC000700819144 799882072 /nfs/dbraw/zinc/88/20/72/799882072.db2.gz DOKLCDHAMQDUFS-UHFFFAOYSA-N 1 0 287.794 3.147 20 10 CGCDRO CC[C@H]([NH2+]CC[C@@H]1CC1(F)F)c1ccccc1O ZINC000701945725 799898961 /nfs/dbraw/zinc/89/89/61/799898961.db2.gz TUGVURLMEOCLDJ-PWSUYJOCSA-N 1 0 255.308 3.478 20 10 CGCDRO COC1CCC([NH2+][C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000703786368 799930076 /nfs/dbraw/zinc/93/00/76/799930076.db2.gz AHGZQKRMJLZFNF-KTAKPFMOSA-N 1 0 276.424 3.361 20 10 CGCDRO C[C@H]1CC[C@H]([NH2+]Cc2c(O)cccc2Br)C1 ZINC000706853875 799967532 /nfs/dbraw/zinc/96/75/32/799967532.db2.gz GWTSTXHZQSWLHJ-UWVGGRQHSA-N 1 0 284.197 3.433 20 10 CGCDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(O)cc2O)CC(C)(C)C1 ZINC000708340884 799987511 /nfs/dbraw/zinc/98/75/11/799987511.db2.gz LAAUUKSALJJAHN-WCQYABFASA-N 1 0 263.381 3.402 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]C[C@H]1CCC2(CCC2)O1 ZINC000711427911 800057676 /nfs/dbraw/zinc/05/76/76/800057676.db2.gz QRWPEEXQCDVYQE-CYBMUJFWSA-N 1 0 281.783 3.237 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C2CC(C(C)C)C2)c1 ZINC000714729244 800127807 /nfs/dbraw/zinc/12/78/07/800127807.db2.gz JGXRVKZXRHYWMH-PNESKVBLSA-N 1 0 263.381 3.486 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]Cc1ncc(Cl)s1)CC2 ZINC000719394961 800238050 /nfs/dbraw/zinc/23/80/50/800238050.db2.gz MKRUOKAFZJAEHV-VIFPVBQESA-N 1 0 280.780 3.279 20 10 CGCDRO C[C@H]([NH2+]Cc1ncc(Cl)s1)c1ccccc1O ZINC000719402180 800238366 /nfs/dbraw/zinc/23/83/66/800238366.db2.gz LQMQEIUCIOIJJR-QMMMGPOBSA-N 1 0 268.769 3.353 20 10 CGCDRO Cc1nc(C[NH2+]Cc2ccc(N(C)C)cc2)sc1C ZINC000719558454 800241851 /nfs/dbraw/zinc/24/18/51/800241851.db2.gz YCKAWFROUAMXCZ-UHFFFAOYSA-N 1 0 275.421 3.116 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC2(C)CC(F)(F)C2)c1 ZINC000720912286 800272168 /nfs/dbraw/zinc/27/21/68/800272168.db2.gz ODMKTFKKLHDTJF-SNVBAGLBSA-N 1 0 285.334 3.487 20 10 CGCDRO CC1(C[NH2+][C@H]2CCc3cccc(O)c32)CC(F)(F)C1 ZINC000720995784 800275988 /nfs/dbraw/zinc/27/59/88/800275988.db2.gz ZFOKFJORBIPQSG-NSHDSACASA-N 1 0 267.319 3.405 20 10 CGCDRO CCO[C@H]1CCC[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)C1 ZINC000721182153 800279282 /nfs/dbraw/zinc/27/92/82/800279282.db2.gz ARUCMFPNHOIDHW-WBVHZDCISA-N 1 0 276.424 3.190 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@@H](C3CC3)O2)c(O)c1 ZINC000722335093 800316199 /nfs/dbraw/zinc/31/61/99/800316199.db2.gz WQGHTLFDDSXMDG-JDFRZJQESA-N 1 0 275.392 3.309 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(OC)c(C)c1)[C@H]1CCCOC1 ZINC000723987269 800348037 /nfs/dbraw/zinc/34/80/37/800348037.db2.gz FRNWTLYMXAKKKF-HOTGVXAUSA-N 1 0 277.408 3.298 20 10 CGCDRO CCc1cc(C[NH2+][C@@H](C)c2ccc(N(C)CC)cc2)[nH]n1 ZINC000765994597 800383215 /nfs/dbraw/zinc/38/32/15/800383215.db2.gz PRGWHLTWNFKPIX-ZDUSSCGKSA-N 1 0 286.423 3.279 20 10 CGCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C)O[C@@H](C)C2)c1O ZINC000822247209 800459816 /nfs/dbraw/zinc/45/98/16/800459816.db2.gz VWSYUQUZMSCZRQ-MNOVXSKESA-N 1 0 299.798 3.054 20 10 CGCDRO Oc1cccc(C[NH2+][C@@H]2CCO[C@@H](c3ccccc3)C2)c1O ZINC001256791637 806979497 /nfs/dbraw/zinc/97/94/97/806979497.db2.gz BXXYKLBUCSURKB-NVXWUHKLSA-N 1 0 299.370 3.108 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2cccn2C2CC2)c1 ZINC001118885024 802614703 /nfs/dbraw/zinc/61/47/03/802614703.db2.gz UBAKWSAWEXFBSH-UHFFFAOYSA-N 1 0 256.349 3.127 20 10 CGCDRO FC[C@@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001119440397 802664749 /nfs/dbraw/zinc/66/47/49/802664749.db2.gz JOYYDIBUJCORMK-HNNXBMFYSA-N 1 0 262.372 3.078 20 10 CGCDRO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(N)cc1 ZINC001120371329 802742462 /nfs/dbraw/zinc/74/24/62/802742462.db2.gz VVDDQVHHEVSPRS-CABZTGNLSA-N 1 0 258.287 3.042 20 10 CGCDRO Cc1ccc(F)c(C[N@H+](C)Cc2ccc(N)cc2)c1 ZINC001120370950 802742805 /nfs/dbraw/zinc/74/28/05/802742805.db2.gz KTPQTMSGRSETMP-UHFFFAOYSA-N 1 0 258.340 3.348 20 10 CGCDRO Nc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCCCO3)C2)cc1 ZINC001120371441 802742829 /nfs/dbraw/zinc/74/28/29/802742829.db2.gz GDLULIAWERUTCA-DOTOQJQBSA-N 1 0 274.408 3.050 20 10 CGCDRO CN(C)c1ccc(C2=C[NH2+]CCC2)cc1C(F)(F)F ZINC001243949769 803095606 /nfs/dbraw/zinc/09/56/06/803095606.db2.gz IMOJBPZRHQDREM-UHFFFAOYSA-N 1 0 270.298 3.496 20 10 CGCDRO Cc1cc(CN(C)CC[NH+](C)C)c(C)n1-c1ccccc1 ZINC001137854113 803783675 /nfs/dbraw/zinc/78/36/75/803783675.db2.gz IRSMCEIKJUEBRE-UHFFFAOYSA-N 1 0 285.435 3.088 20 10 CGCDRO Cc1cc(C[N@@H+]2CCCC[C@H]2CO)c(C)n1-c1ccccc1 ZINC001137854462 803786049 /nfs/dbraw/zinc/78/60/49/803786049.db2.gz XVBVBJKICICXOU-IBGZPJMESA-N 1 0 298.430 3.441 20 10 CGCDRO OC[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC001138214032 803875001 /nfs/dbraw/zinc/87/50/01/803875001.db2.gz NIZHYPJOWWLJSZ-SFHVURJKSA-N 1 0 288.435 3.024 20 10 CGCDRO Cc1c(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c2ccccc2n1C ZINC001138252637 803880062 /nfs/dbraw/zinc/88/00/62/803880062.db2.gz OBFARAXJEFDAQR-BETUJISGSA-N 1 0 272.392 3.096 20 10 CGCDRO Cc1c(C[NH+]2CCC3(CCO3)CC2)c2ccccc2n1C ZINC001138258635 803885369 /nfs/dbraw/zinc/88/53/69/803885369.db2.gz XJNGTAYDKUMWAL-UHFFFAOYSA-N 1 0 284.403 3.242 20 10 CGCDRO COC1(C)CC[NH+](Cc2ccc3c(c2)CCCN3C)CC1 ZINC001138354427 803901136 /nfs/dbraw/zinc/90/11/36/803901136.db2.gz JLRKWQNWBOLNAI-UHFFFAOYSA-N 1 0 288.435 3.070 20 10 CGCDRO CCN(CC)c1ccc(CN2CCC[C@@H](F)C2)c(OC)c1 ZINC001138390230 803913872 /nfs/dbraw/zinc/91/38/72/803913872.db2.gz ZRWGRTIIGCIVIK-OAHLLOKOSA-N 1 0 294.414 3.475 20 10 CGCDRO Cc1ccc2c(c1)C[C@H]([NH2+]CCc1ccc(N)cc1)CC2 ZINC001246465698 804345343 /nfs/dbraw/zinc/34/53/43/804345343.db2.gz LHMCMSRAATWKID-LJQANCHMSA-N 1 0 280.415 3.267 20 10 CGCDRO C[C@]1(F)CCC[N@H+](Cc2cc(F)ccc2O)CC1 ZINC001140057669 804365595 /nfs/dbraw/zinc/36/55/95/804365595.db2.gz JNNRJNWSTZPMSR-AWEZNQCLSA-N 1 0 255.308 3.245 20 10 CGCDRO Oc1cc(Cl)ccc1C[N@@H+]1CC[C@@H](COCC2CC2)C1 ZINC001140466081 804443180 /nfs/dbraw/zinc/44/31/80/804443180.db2.gz WNTLPGLUCMZVJP-CYBMUJFWSA-N 1 0 295.810 3.294 20 10 CGCDRO Oc1cc(Cl)ccc1C[NH+]1CCC(n2cccn2)CC1 ZINC001140465380 804444256 /nfs/dbraw/zinc/44/42/56/804444256.db2.gz LAYJLLJEMARYES-UHFFFAOYSA-N 1 0 291.782 3.079 20 10 CGCDRO Cc1ccc(O)c(C[N@H+]2CCN(C)[C@H](c3ccccc3)C2)c1 ZINC001140620883 804476676 /nfs/dbraw/zinc/47/66/76/804476676.db2.gz FAFDTUKMWWFAFM-SFHVURJKSA-N 1 0 296.414 3.189 20 10 CGCDRO Cc1c(O)ccc(C[NH+]2CCC3(CCC3)CC2)c1O ZINC001140744420 804503275 /nfs/dbraw/zinc/50/32/75/804503275.db2.gz WVBZXSDRAOQLGI-UHFFFAOYSA-N 1 0 261.365 3.172 20 10 CGCDRO CC[N@H+](Cc1ccccc1O)Cc1ccc(O)c(C)c1O ZINC001140747476 804504749 /nfs/dbraw/zinc/50/47/49/804504749.db2.gz BAHRBWUWCSAZHJ-UHFFFAOYSA-N 1 0 287.359 3.134 20 10 CGCDRO CC[N@H+](Cc1c[nH]c2ccncc12)Cc1ccccc1O ZINC001140804905 804522545 /nfs/dbraw/zinc/52/25/45/804522545.db2.gz JVLINDVAMSIYQV-UHFFFAOYSA-N 1 0 281.359 3.291 20 10 CGCDRO COC(=O)c1cccc(C[N@H+](C)Cc2ccc(C)cc2O)c1 ZINC001140958145 804559086 /nfs/dbraw/zinc/55/90/86/804559086.db2.gz SMDOMZQMXAWYJB-UHFFFAOYSA-N 1 0 299.370 3.119 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CCCCC[C@@H]2C)c(OC)c1 ZINC001141026847 804572757 /nfs/dbraw/zinc/57/27/57/804572757.db2.gz FTZXCRLVTNELQE-LBPRGKRZSA-N 1 0 279.380 3.174 20 10 CGCDRO COc1cc(O)c(C[NH+]2CC3(C2)CCCCC3)c(OC)c1 ZINC001141028870 804575533 /nfs/dbraw/zinc/57/55/33/804575533.db2.gz CZLXFAYEMSMOCM-UHFFFAOYSA-N 1 0 291.391 3.176 20 10 CGCDRO CC(C)[N@H+](C)Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141074869 804585123 /nfs/dbraw/zinc/58/51/23/804585123.db2.gz VQVWNOZFIXDIOE-UHFFFAOYSA-N 1 0 258.409 3.226 20 10 CGCDRO COc1ccccc1[C@H]1CCC[N@@H+]1Cc1cc(O)ccc1O ZINC001141159851 804599623 /nfs/dbraw/zinc/59/96/23/804599623.db2.gz MUFNDFBGIAPLME-MRXNPFEDSA-N 1 0 299.370 3.444 20 10 CGCDRO Cc1ccc(C[N@H+](C)Cc2ccccc2O)c(F)c1 ZINC001141195105 804608507 /nfs/dbraw/zinc/60/85/07/804608507.db2.gz AKIMJYFPTQTRJJ-UHFFFAOYSA-N 1 0 259.324 3.472 20 10 CGCDRO COc1cccc(C[N@@H+]2CCc3cccc(O)c3C2)c1F ZINC001141222793 804612499 /nfs/dbraw/zinc/61/24/99/804612499.db2.gz REQRIIQUULPGGY-UHFFFAOYSA-N 1 0 287.334 3.098 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2cc(F)c(F)cc2[O-])[C@@H](C)C1 ZINC001142525042 804731711 /nfs/dbraw/zinc/73/17/11/804731711.db2.gz UUIQQOWVSYCHHC-ZJUUUORDSA-N 1 0 255.308 3.291 20 10 CGCDRO [O-]c1cc(F)c(F)cc1C[N@@H+]1CCc2ccsc2C1 ZINC001142524726 804731871 /nfs/dbraw/zinc/73/18/71/804731871.db2.gz IIBJRLPPUHOCDI-UHFFFAOYSA-N 1 0 281.327 3.290 20 10 CGCDRO C[NH2+][C@@H](C)c1nc(-c2ccc(-n3c(C)ccc3C)cc2)no1 ZINC001247489496 804748244 /nfs/dbraw/zinc/74/82/44/804748244.db2.gz ARWXWYBQLHFAEX-ZDUSSCGKSA-N 1 0 296.374 3.425 20 10 CGCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@H]2c2cccs2)c(O)c1 ZINC001144509034 804997521 /nfs/dbraw/zinc/99/75/21/804997521.db2.gz ILAUVOGYLKHHIC-LBPRGKRZSA-N 1 0 291.372 3.202 20 10 CGCDRO CCOc1cc(C[N@H+](C)Cc2ccc(N(C)C)cc2)ccn1 ZINC001250013602 805367424 /nfs/dbraw/zinc/36/74/24/805367424.db2.gz GCIDQQOFBUVRKK-UHFFFAOYSA-N 1 0 299.418 3.178 20 10 CGCDRO CCc1cc(N(CC)Cc2ccccc2O)nc(C)n1 ZINC001154888912 805504053 /nfs/dbraw/zinc/50/40/53/805504053.db2.gz KCDRZIHRXAGJSL-UHFFFAOYSA-N 1 0 271.364 3.080 20 10 CGCDRO Oc1ccccc1C[NH2+][C@@H]1COc2ccc(Cl)cc2C1 ZINC001257946139 807253676 /nfs/dbraw/zinc/25/36/76/807253676.db2.gz BTIMJPDAJRRQMM-AWEZNQCLSA-N 1 0 289.762 3.139 20 10 CGCDRO Fc1ccc2c(c1)CC[C@@H]([NH2+]Cc1ccc3c(c1)CCO3)C2 ZINC001168401664 807406146 /nfs/dbraw/zinc/40/61/46/807406146.db2.gz CRWGYCVEXNTZGW-GOSISDBHSA-N 1 0 297.373 3.408 20 10 CGCDRO CCCCC[C@H](CC)[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001258427258 807445595 /nfs/dbraw/zinc/44/55/95/807445595.db2.gz AQCAHDIBCGEJDN-BBRMVZONSA-N 1 0 281.396 3.080 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(-n2c(C)cnc2C[NH3+])cc1 ZINC001169028140 807554012 /nfs/dbraw/zinc/55/40/12/807554012.db2.gz JKBJWSRKWOBYJY-UHFFFAOYSA-N 1 0 280.375 3.047 20 10 CGCDRO CC[C@H](C[C@@H](C)CC)[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC001258781856 807608606 /nfs/dbraw/zinc/60/86/06/807608606.db2.gz GQWNFZHUEJQBEL-WCQYABFASA-N 1 0 279.380 3.085 20 10 CGCDRO CC[C@H](C[C@@H](C)CC)[NH2+]Cc1ccc(O)c(O)c1 ZINC001258782323 807609298 /nfs/dbraw/zinc/60/92/98/807609298.db2.gz OAGGKBPJDVSPGS-WCQYABFASA-N 1 0 251.370 3.402 20 10 CGCDRO COc1ccccc1C[C@@H](C)[N@@H+]1CCc2cccc(O)c2C1 ZINC001258894588 807667906 /nfs/dbraw/zinc/66/79/06/807667906.db2.gz DQAUDANLCQQDQM-CQSZACIVSA-N 1 0 297.398 3.390 20 10 CGCDRO Oc1ccccc1C[NH+]1CC(c2ccc(F)cc2)C1 ZINC001261298103 807735676 /nfs/dbraw/zinc/73/56/76/807735676.db2.gz ZSGAJNITMNTPLU-UHFFFAOYSA-N 1 0 257.308 3.131 20 10 CGCDRO C[C@H]1CC[C@H]([N@@H+]2CCCc3cc(O)c(O)cc3C2)C1 ZINC001170147616 807775244 /nfs/dbraw/zinc/77/52/44/807775244.db2.gz DFWOMHGQJISLMO-FZMZJTMJSA-N 1 0 261.365 3.035 20 10 CGCDRO Nc1ccc(C[NH2+][C@H]2CCCc3cc(N)ccc32)cc1 ZINC001262487864 807867886 /nfs/dbraw/zinc/86/78/86/807867886.db2.gz IPRHVENWZVPBGR-KRWDZBQOSA-N 1 0 267.376 3.018 20 10 CGCDRO Cc1cccc2c1CC[C@H]([NH2+]Cc1cccc(O)c1O)C2 ZINC001171559426 808095443 /nfs/dbraw/zinc/09/54/43/808095443.db2.gz FJENVMHXYCVVDG-HNNXBMFYSA-N 1 0 283.371 3.053 20 10 CGCDRO CCOCC[C@H](C)[N@H+](CC)Cc1ccc(N(C)C)cc1 ZINC001172425937 808304821 /nfs/dbraw/zinc/30/48/21/808304821.db2.gz FQDPDXYGOGQZRY-HNNXBMFYSA-N 1 0 278.440 3.390 20 10 CGCDRO CC(C)COCC[C@H](C)[N@@H+]1CCc2cccc(O)c2C1 ZINC001172485632 808346774 /nfs/dbraw/zinc/34/67/74/808346774.db2.gz YBTXADCSYJFGCY-AWEZNQCLSA-N 1 0 277.408 3.202 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCc2ncsc2C1)c1ccccc1O ZINC001173123529 808519576 /nfs/dbraw/zinc/51/95/76/808519576.db2.gz GBTXQMOBCGIEIH-WDEREUQCSA-N 1 0 274.389 3.057 20 10 CGCDRO C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c(O)ccc2ccccc21 ZINC001276078924 808987261 /nfs/dbraw/zinc/98/72/61/808987261.db2.gz ZKVVVBSMLHEUCX-MQVJKMGUSA-N 1 0 296.414 3.260 20 10 CGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@H](C)C2(C)CC2)c1O ZINC001176767668 809758613 /nfs/dbraw/zinc/75/86/13/809758613.db2.gz PYBOEYHJSGHJDP-SNVBAGLBSA-N 1 0 265.328 3.012 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]Cc2nc(C)ccc2O)cc1 ZINC001177328237 809794060 /nfs/dbraw/zinc/79/40/60/809794060.db2.gz KBPUELLQHXNDPX-UHFFFAOYSA-N 1 0 299.418 3.232 20 10 CGCDRO c1cc(N2CCCC2)ccc1C[NH2+][C@]12CCC[C@H]1OCC2 ZINC001179430003 809921065 /nfs/dbraw/zinc/92/10/65/809921065.db2.gz ORIVRBICQPJAIC-MSOLQXFVSA-N 1 0 286.419 3.088 20 10 CGCDRO CCC(CC)(CCO)[NH2+]Cc1ccc(Cl)cc1[O-] ZINC001181154093 810041092 /nfs/dbraw/zinc/04/10/92/810041092.db2.gz JRRBKPRMAFGCLU-UHFFFAOYSA-N 1 0 271.788 3.076 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H]2C[C@]2(F)c2ccccc2)c(O)c1 ZINC001182497698 810112497 /nfs/dbraw/zinc/11/24/97/810112497.db2.gz ALENDTAIWJUYJA-SJORKVTESA-N 1 0 271.335 3.428 20 10 CGCDRO CCC[C@H](C[NH2+]Cc1c(C)cc(OC)cc1O)OCC ZINC001183066318 810136329 /nfs/dbraw/zinc/13/63/29/810136329.db2.gz XHBNJQZBHPWDLG-CYBMUJFWSA-N 1 0 281.396 3.004 20 10 CGCDRO Cc1ccc(C[NH2+]C2CC(Nc3ccccc3)C2)c(O)c1 ZINC001183687307 810156965 /nfs/dbraw/zinc/15/69/65/810156965.db2.gz WPHQKBONLDTFOK-UHFFFAOYSA-N 1 0 282.387 3.433 20 10 CGCDRO COc1ccc(O)c(C[NH2+]CC2(OC)CCCCCC2)c1 ZINC001184218223 810183205 /nfs/dbraw/zinc/18/32/05/810183205.db2.gz LRAUHSUPLVFDEE-UHFFFAOYSA-N 1 0 293.407 3.230 20 10 CGCDRO Cc1cccc(OCCC[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC001199053326 811556323 /nfs/dbraw/zinc/55/63/23/811556323.db2.gz WYEYKHYRCZBUSH-UHFFFAOYSA-N 1 0 297.398 3.489 20 10 CGCDRO COc1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(C)c1 ZINC001203315006 812308098 /nfs/dbraw/zinc/30/80/98/812308098.db2.gz CDRRGBOIQWHZQF-UHFFFAOYSA-N 1 0 296.414 3.326 20 10 CGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1CCCn2nccc21 ZINC001203457879 812368453 /nfs/dbraw/zinc/36/84/53/812368453.db2.gz RFJQNCBGWNXIKI-OAHLLOKOSA-N 1 0 294.402 3.308 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CCC[C@H](C(F)F)C2)c1O ZINC001203609596 812405198 /nfs/dbraw/zinc/40/51/98/812405198.db2.gz ZIIGGLBNXLWUGO-LBPRGKRZSA-N 1 0 285.334 3.268 20 10 CGCDRO CCOc1cccc(C[N@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)c1O ZINC001203603393 812405239 /nfs/dbraw/zinc/40/52/39/812405239.db2.gz NCCPHLNANONJMD-BETUJISGSA-N 1 0 297.345 3.268 20 10 CGCDRO CCOc1cccc(C[N@H+](CC)Cc2cccnc2)c1O ZINC001203609220 812405667 /nfs/dbraw/zinc/40/56/67/812405667.db2.gz MDQZMWHRJBBRGC-UHFFFAOYSA-N 1 0 286.375 3.208 20 10 CGCDRO C[C@H]1C[N@H+](Cc2cc(Cl)ccc2O)CCC[C@]1(C)O ZINC001203650841 812415033 /nfs/dbraw/zinc/41/50/33/812415033.db2.gz FIHJXGXSJFROIO-NHYWBVRUSA-N 1 0 283.799 3.029 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](C)C(F)(F)CC2)c1 ZINC001203670393 812425611 /nfs/dbraw/zinc/42/56/11/812425611.db2.gz QMCWAGIUGQYEFL-NSHDSACASA-N 1 0 285.334 3.268 20 10 CGCDRO C[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(O)c(O)c1 ZINC001203880525 812478458 /nfs/dbraw/zinc/47/84/58/812478458.db2.gz UZGZXRMFIUXJFS-LBPRGKRZSA-N 1 0 269.344 3.045 20 10 CGCDRO Cc1ccccc1O[C@H]1CC[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203878662 812478677 /nfs/dbraw/zinc/47/86/77/812478677.db2.gz JVUYRNZZJCCMQO-HNNXBMFYSA-N 1 0 299.370 3.060 20 10 CGCDRO C[N@H+](Cc1ccc(O)c(O)c1)Cc1cccc2cccnc21 ZINC001203882579 812479343 /nfs/dbraw/zinc/47/93/43/812479343.db2.gz MSUCPODJOGSTQH-UHFFFAOYSA-N 1 0 294.354 3.278 20 10 CGCDRO C[N@H+](Cc1ccc(O)c(O)c1)[C@H]1CCc2ccccc21 ZINC001203884570 812480151 /nfs/dbraw/zinc/48/01/51/812480151.db2.gz VCXRWVYLHUHKFO-HNNXBMFYSA-N 1 0 269.344 3.217 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@@](C)(F)C2)cc1 ZINC001203931869 812495697 /nfs/dbraw/zinc/49/56/97/812495697.db2.gz XOYRNWLSKSSBOR-MRXNPFEDSA-N 1 0 264.388 3.467 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)[C@@H]2CCOC2)c2ccccc21 ZINC001204242765 812584409 /nfs/dbraw/zinc/58/44/09/812584409.db2.gz RGTLJNQPIUBSPO-OAHLLOKOSA-N 1 0 284.403 3.127 20 10 CGCDRO Oc1ccc(C[N@H+](Cc2ccccc2)C2CC2)c(O)c1 ZINC001204281108 812596730 /nfs/dbraw/zinc/59/67/30/812596730.db2.gz QWMUXVNOGLMAKT-UHFFFAOYSA-N 1 0 269.344 3.262 20 10 CGCDRO C[N@H+](CCc1ccccn1)Cc1ccc(N2CCCC2)cc1 ZINC001204319951 812610916 /nfs/dbraw/zinc/61/09/16/812610916.db2.gz IZFWCRZTXPLZFZ-UHFFFAOYSA-N 1 0 295.430 3.356 20 10 CGCDRO CCC[N@H+](Cc1cc(O)c(O)c(OC)c1)[C@H](C)CC ZINC001204340227 812615958 /nfs/dbraw/zinc/61/59/58/812615958.db2.gz ISEZBFJNUXULJA-LLVKDONJSA-N 1 0 267.369 3.117 20 10 CGCDRO COc1cc(CN2Cc3ccccc3[C@H](C)C2)cc(O)c1O ZINC001204341405 812616417 /nfs/dbraw/zinc/61/64/17/812616417.db2.gz BSQASDZVYOQPDR-GFCCVEGCSA-N 1 0 299.370 3.226 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(CN2CC[C@@](C)([NH3+])C2)cc1 ZINC001204770974 812731225 /nfs/dbraw/zinc/73/12/25/812731225.db2.gz KBPGHZVGDPPMEP-GOSISDBHSA-N 1 0 283.419 3.017 20 10 CGCDRO CC(C)c1ccc(O)c(C[N@H+]2CCC[C@@H]([C@H](C)O)C2)c1 ZINC001205341016 812962728 /nfs/dbraw/zinc/96/27/28/812962728.db2.gz RIEXXEDTXHQLDX-DZGCQCFKSA-N 1 0 277.408 3.108 20 10 CGCDRO C[C@@H]1CCN(Cc2cccc(-c3ccccc3)c2O)C[C@@H]1[NH3+] ZINC001205881378 813117728 /nfs/dbraw/zinc/11/77/28/813117728.db2.gz ZNTZOXVOXPCOFH-KDOFPFPSSA-N 1 0 296.414 3.228 20 10 CGCDRO CN(C)c1ccc(CN2CCCC[C@H]([NH3+])C2)c2ccccc21 ZINC001205933023 813139103 /nfs/dbraw/zinc/13/91/03/813139103.db2.gz VVHYVDDGTYZLTL-INIZCTEOSA-N 1 0 297.446 3.219 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CC(C)(C)[C@@H]2C2CC2)c(O)c1 ZINC001206116810 813205287 /nfs/dbraw/zinc/20/52/87/813205287.db2.gz TUKJMMXHXWHYOP-INIZCTEOSA-N 1 0 275.392 3.330 20 10 CGCDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)Cc1cncc(F)c1 ZINC001207024415 813467059 /nfs/dbraw/zinc/46/70/59/813467059.db2.gz RTTBLOQWHRDFKU-UHFFFAOYSA-N 1 0 299.393 3.453 20 10 CGCDRO CC1(C)CC[C@@H](CO)[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001207302508 813537701 /nfs/dbraw/zinc/53/77/01/813537701.db2.gz PXGMPUGQOUEIIH-ZDUSSCGKSA-N 1 0 283.799 3.029 20 10 CGCDRO COc1cc(C)cc(C[NH2+]CCCc2ccsc2)c1O ZINC001207837759 813658348 /nfs/dbraw/zinc/65/83/48/813658348.db2.gz SMVXAFQSJRHGIN-UHFFFAOYSA-N 1 0 291.416 3.493 20 10 CGCDRO Oc1cc2c(cc1O)C[N@H+](CCC1CCCC1)CCC2 ZINC001208696609 813801850 /nfs/dbraw/zinc/80/18/50/813801850.db2.gz WZXKLEWWIQYJNR-UHFFFAOYSA-N 1 0 275.392 3.426 20 10 CGCDRO CC/C=C\CC[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001208735219 813824631 /nfs/dbraw/zinc/82/46/31/813824631.db2.gz VVLQZSNWEYEYJM-ARJAWSKDSA-N 1 0 261.365 3.202 20 10 CGCDRO C[N@H+](CCc1cc(F)cc(F)c1)Cc1ccccc1O ZINC001209131875 813943888 /nfs/dbraw/zinc/94/38/88/813943888.db2.gz DRCBZTQMROTEMA-UHFFFAOYSA-N 1 0 277.314 3.345 20 10 CGCDRO COc1ccc2c(c1)c1c(n2C)CC[N@@H+](C[C@@H]2C[C@@H]2C)C1 ZINC001209421929 814024975 /nfs/dbraw/zinc/02/49/75/814024975.db2.gz PMTWTESFOWOBJE-STQMWFEESA-N 1 0 284.403 3.201 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CC[C@]23CCOC3)cc1 ZINC001209517507 814070820 /nfs/dbraw/zinc/07/08/20/814070820.db2.gz DGUWASBPFZKDCB-LJQANCHMSA-N 1 0 296.414 3.459 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CC[C@H](O)[C@H](C)C2)cc1 ZINC001209516172 814071525 /nfs/dbraw/zinc/07/15/25/814071525.db2.gz BOUUDOPPTLAOHE-KUHUBIRLSA-N 1 0 298.430 3.297 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(C[N@@H+](C)C2(C)COC2)cc1 ZINC001209520157 814073112 /nfs/dbraw/zinc/07/31/12/814073112.db2.gz OWWBBWVNOWCABT-UHFFFAOYSA-N 1 0 284.403 3.315 20 10 CGCDRO Nc1ccc(CO[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC001217822577 815970685 /nfs/dbraw/zinc/97/06/85/815970685.db2.gz FPDWBPIOVPSHNW-LJQANCHMSA-N 1 0 296.414 3.450 20 10 CGCDRO CC1(C)CCC(Oc2ccc(N3CC[NH2+]CC3)cc2)CC1 ZINC001218212361 816130345 /nfs/dbraw/zinc/13/03/45/816130345.db2.gz YFLFZPPMBPSJBM-UHFFFAOYSA-N 1 0 288.435 3.444 20 10 CGCDRO CCC[C@H](Oc1ccc(N2CC[NH2+]CC2)cc1)C(C)C ZINC001218293629 816155418 /nfs/dbraw/zinc/15/54/18/816155418.db2.gz KZVLLNIFAJEXBZ-KRWDZBQOSA-N 1 0 276.424 3.300 20 10 CGCDRO CC(C)OC1C[NH+](Cc2c(O)ccc3ccccc32)C1 ZINC001231590530 818131717 /nfs/dbraw/zinc/13/17/17/818131717.db2.gz GUKLIVRBMWQRRC-UHFFFAOYSA-N 1 0 271.360 3.155 20 10 CGCDRO COc1cc(C[N@H+](C)[C@H]2CC[C@H](C)CC2)c(O)cc1O ZINC001231639245 818144553 /nfs/dbraw/zinc/14/45/53/818144553.db2.gz GORDMYOZZOBTCB-AULYBMBSSA-N 1 0 279.380 3.117 20 10 CGCDRO CCOc1ncccc1C[N@H+](CC)Cc1ccccc1O ZINC001231765717 818171271 /nfs/dbraw/zinc/17/12/71/818171271.db2.gz GIPKDPKAKZVXFI-UHFFFAOYSA-N 1 0 286.375 3.208 20 10 CGCDRO Cc1cc(C)c(C[N@@H+]2CC[C@@]3(C2)CC(F)(F)CO3)c(O)c1 ZINC001231849158 818188395 /nfs/dbraw/zinc/18/83/95/818188395.db2.gz OZFSFJKOLAXOAB-HNNXBMFYSA-N 1 0 297.345 3.009 20 10 CGCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCC12CCCC2 ZINC001231851287 818189445 /nfs/dbraw/zinc/18/94/45/818189445.db2.gz CMSZZLSUWPPNDE-UHFFFAOYSA-N 1 0 274.408 3.280 20 10 CGCDRO COc1cc(N(C)C)ccc1C[N@@H+]1C[C@@H](C)CC12CC2 ZINC001231858513 818190190 /nfs/dbraw/zinc/19/01/90/818190190.db2.gz WVHMIUNYLKDPBF-ZDUSSCGKSA-N 1 0 274.408 3.136 20 10 CGCDRO CC[NH+](CC)CCN(C)Cc1cc(Cl)c(C)cc1O ZINC001231868546 818194095 /nfs/dbraw/zinc/19/40/95/818194095.db2.gz HQXMRVKBXVPQPJ-UHFFFAOYSA-N 1 0 284.831 3.128 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCCC[C@@](C)(O)C2)cc1Cl ZINC001231869806 818194667 /nfs/dbraw/zinc/19/46/67/818194667.db2.gz ZHAPDPHVTIYPDL-OAHLLOKOSA-N 1 0 283.799 3.091 20 10 CGCDRO CC[C@H]1COCC[N@@H+]1Cc1ccc2ccccc2c1O ZINC001231881597 818199836 /nfs/dbraw/zinc/19/98/36/818199836.db2.gz YBWXRXAGHKIBBR-HNNXBMFYSA-N 1 0 271.360 3.156 20 10 CGCDRO O=C1CCC[C@@H]2C[N@@H+](Cc3ccc4ccccc4c3O)C[C@H]12 ZINC001231883169 818202058 /nfs/dbraw/zinc/20/20/58/818202058.db2.gz HAUPDBDYVGRNKC-PBHICJAKSA-N 1 0 295.382 3.346 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)Cc2cc3ccncc3[nH]2)cc1 ZINC001232096919 818254346 /nfs/dbraw/zinc/25/43/46/818254346.db2.gz MDDLISICSHSVHW-UHFFFAOYSA-N 1 0 294.402 3.261 20 10 CGCDRO COc1ccnc(Cl)c1CN(C)Cc1ccccc1O ZINC001232154446 818265827 /nfs/dbraw/zinc/26/58/27/818265827.db2.gz QZOXYCXHODEBLT-UHFFFAOYSA-N 1 0 292.766 3.081 20 10 CGCDRO COc1cc(O)c(CN2CCCC[C@@H](F)C2)cc1Cl ZINC001232264023 818297750 /nfs/dbraw/zinc/29/77/50/818297750.db2.gz CIIGFVDDQAQHKV-LLVKDONJSA-N 1 0 287.762 3.378 20 10 CGCDRO CC[C@@H]1CCC[N@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232262739 818298572 /nfs/dbraw/zinc/29/85/72/818298572.db2.gz ODKSJRSNMPDNCC-SNVBAGLBSA-N 1 0 269.772 3.373 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CCCOC(C)(C)C2)cc1Cl ZINC001232269928 818299820 /nfs/dbraw/zinc/29/98/20/818299820.db2.gz NYUYGBYSFIBRPO-UHFFFAOYSA-N 1 0 299.798 3.055 20 10 CGCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@H](C(F)F)C2)cc1Cl ZINC001232268869 818299988 /nfs/dbraw/zinc/29/99/88/818299988.db2.gz VBSLRPTUWQARLC-QMMMGPOBSA-N 1 0 291.725 3.228 20 10 CGCDRO COc1cc(O)c(C[N@H+]2CCC[C@H](OC)CC2)cc1Cl ZINC001232270058 818300578 /nfs/dbraw/zinc/30/05/78/818300578.db2.gz RIZPKLJIHQISIL-LBPRGKRZSA-N 1 0 299.798 3.055 20 10 CGCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CCCC[C@](C)(O)C2)c1 ZINC001233283929 818566429 /nfs/dbraw/zinc/56/64/29/818566429.db2.gz BAVUWGCUXGJONS-SFHVURJKSA-N 1 0 291.435 3.427 20 10 CGCDRO C[C@H]1C[N@H+](Cc2cc(C(C)(C)C)ccc2O)CCC[C@@H]1O ZINC001233283896 818566532 /nfs/dbraw/zinc/56/65/32/818566532.db2.gz AAJSTIHPAKYYTO-BBRMVZONSA-N 1 0 291.435 3.283 20 10 CGCDRO C[N@H+](Cc1ccno1)Cc1cc(C(C)(C)C)ccc1O ZINC001233286686 818567283 /nfs/dbraw/zinc/56/72/83/818567283.db2.gz FNQSJFYCTONJGD-UHFFFAOYSA-N 1 0 274.364 3.310 20 10 CGCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)c1 ZINC001233284541 818568620 /nfs/dbraw/zinc/56/86/20/818568620.db2.gz YZYPYBBPAKFATB-TUKIKUTGSA-N 1 0 277.383 3.480 20 10 CGCDRO CCN1CC[N@H+](Cc2cc(C(C)(C)C)ccc2O)[C@H](C)C1 ZINC001233287466 818570666 /nfs/dbraw/zinc/57/06/66/818570666.db2.gz RARIOPXBPAQRBP-CQSZACIVSA-N 1 0 290.451 3.216 20 10 CGCDRO C[N@H+](Cc1cc(C(C)(C)C)ccc1O)[C@H]1CCCOC1 ZINC001233287415 818571208 /nfs/dbraw/zinc/57/12/08/818571208.db2.gz OZIOZMULGCSWET-HNNXBMFYSA-N 1 0 277.408 3.301 20 10 CGCDRO Oc1cc(C(F)(F)F)ccc1C[N@@H+]1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001233452504 818622963 /nfs/dbraw/zinc/62/29/63/818622963.db2.gz YZXWDCXQOXLAEM-ZMLRMANQSA-N 1 0 289.272 3.201 20 10 CGCDRO Oc1cc(C(F)(F)F)ccc1C[N@@H+]1CCC2(CC2)C1 ZINC001233452399 818623087 /nfs/dbraw/zinc/62/30/87/818623087.db2.gz VAZYVIPLGNIBHL-UHFFFAOYSA-N 1 0 271.282 3.397 20 10 CGCDRO CCC[N@H+](CCOC)Cc1ccc(C(F)(F)F)cc1O ZINC001233451683 818623376 /nfs/dbraw/zinc/62/33/76/818623376.db2.gz VGHCXSWDRDAVAE-UHFFFAOYSA-N 1 0 291.313 3.269 20 10 CGCDRO CN1CCC[N@H+](Cc2cccc(-c3ccccc3)c2O)CC1 ZINC001234992735 818970043 /nfs/dbraw/zinc/97/00/43/818970043.db2.gz QWWAMQQAOUTAAB-UHFFFAOYSA-N 1 0 296.414 3.197 20 10 CGCDRO Oc1c(C[N@H+]2CCCC[C@H](O)C2)cccc1-c1ccccc1 ZINC001235001265 818975218 /nfs/dbraw/zinc/97/52/18/818975218.db2.gz LODRQAPYRNJOCB-KRWDZBQOSA-N 1 0 297.398 3.406 20 10 CGCDRO c1cc(N2CCCC2)ccc1CN1CCCC[C@]12CC[NH2+]C2 ZINC001235120461 819010443 /nfs/dbraw/zinc/01/04/43/819010443.db2.gz BTHPXKWXSAOYIC-LJQANCHMSA-N 1 0 299.462 3.005 20 10 CGCDRO CCOc1cc(O)cc(C[N@@H+]2CCc3cccc(O)c3C2)c1 ZINC001235399479 819084629 /nfs/dbraw/zinc/08/46/29/819084629.db2.gz ASPFIJBPUXASBT-UHFFFAOYSA-N 1 0 299.370 3.055 20 10 CGCDRO CC(C)(C)c1ccc(C[NH+]2CC3(CSC3)C2)c(O)c1 ZINC001235680306 819139750 /nfs/dbraw/zinc/13/97/50/819139750.db2.gz KOYVEJDBYLWFBQ-UHFFFAOYSA-N 1 0 277.433 3.239 20 10 CGCDRO C[C@H]1CC[C@@H]([NH3+])CN1Cc1ccc(N(C)C)c2ccccc12 ZINC001235892265 819201566 /nfs/dbraw/zinc/20/15/66/819201566.db2.gz OECGTSUYBSOHMD-GOEBONIOSA-N 1 0 297.446 3.217 20 10 CGCDRO C[C@H]1CC[C@H]([NH3+])CN1Cc1ccc(N(C)C)c2ccccc12 ZINC001235892268 819202562 /nfs/dbraw/zinc/20/25/62/819202562.db2.gz OECGTSUYBSOHMD-HOCLYGCPSA-N 1 0 297.446 3.217 20 10 CGCDRO Nc1ccc(C[N@@H+]2CCc3c(Cl)cccc3C2)cc1 ZINC001235949412 819239199 /nfs/dbraw/zinc/23/91/99/819239199.db2.gz JNNHANKBIJXMJM-UHFFFAOYSA-N 1 0 272.779 3.481 20 10 CGCDRO C[N@H+](C/C=C/c1ccccc1)Cc1ccc(N)cc1 ZINC001235963863 819252668 /nfs/dbraw/zinc/25/26/68/819252668.db2.gz WVAFKFKINJTACN-VMPITWQZSA-N 1 0 252.361 3.414 20 10 CGCDRO CCN(Cc1cccc(C(C)(C)C)c1O)[C@@H]1CCC[NH2+]C1 ZINC001236008067 819272791 /nfs/dbraw/zinc/27/27/91/819272791.db2.gz QJNMTDXZBMRXQD-OAHLLOKOSA-N 1 0 290.451 3.264 20 10 CGCDRO C[C@H]1C[C@H]([NH3+])CN(Cc2cccc(-c3ccccc3)c2O)C1 ZINC001236053043 819288970 /nfs/dbraw/zinc/28/89/70/819288970.db2.gz XREMCKAVXGODRW-YOEHRIQHSA-N 1 0 296.414 3.228 20 10 CGCDRO Nc1ccc(C[N@@H+]2CCc3cccc(Cl)c3C2)cc1 ZINC001236078983 819304179 /nfs/dbraw/zinc/30/41/79/819304179.db2.gz MDWNPFUBEFKPQU-UHFFFAOYSA-N 1 0 272.779 3.481 20 10 CGCDRO CC(C)c1ccc(CN(C2CC2)[C@@H]2CCC[NH2+]C2)c(O)c1 ZINC001236240439 819399545 /nfs/dbraw/zinc/39/95/45/819399545.db2.gz LUFHPLOZMLRUKZ-QGZVFWFLSA-N 1 0 288.435 3.232 20 10 CGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cccc(N)c1 ZINC001236280852 819412936 /nfs/dbraw/zinc/41/29/36/819412936.db2.gz XBXMKXUTBVACSD-UHFFFAOYSA-N 1 0 283.419 3.357 20 10 CGCDRO CCCN(Cc1ccc(C(C)(C)C)cc1O)[C@@H]1CC[NH2+]C1 ZINC001236323632 819425948 /nfs/dbraw/zinc/42/59/48/819425948.db2.gz IBDHCYZNJWXBKF-MRXNPFEDSA-N 1 0 290.451 3.264 20 10 CGCDRO CCCN(Cc1ccc2ccccc2c1O)[C@@H]1CC[NH2+]C1 ZINC001236324878 819426508 /nfs/dbraw/zinc/42/65/08/819426508.db2.gz WBGAFJDJCQJOJN-MRXNPFEDSA-N 1 0 284.403 3.119 20 10 CGCDRO Cc1cc(O)c(CN(C(C)C)[C@@H]2CCC[NH2+]C2)cc1Cl ZINC001236469049 819490196 /nfs/dbraw/zinc/49/01/96/819490196.db2.gz SXZFWYGIUVIRBA-CQSZACIVSA-N 1 0 296.842 3.316 20 10 CGCDRO Cc1ccnc(O[C@H]2CCC[N@H+](Cc3ccc(N)cc3)C2)c1 ZINC001236532623 819525129 /nfs/dbraw/zinc/52/51/29/819525129.db2.gz DLHXGZUTOUNLPA-KRWDZBQOSA-N 1 0 297.402 3.016 20 10 CGCDRO CC[NH+](CC)Cc1cc(OC)c(Br)cc1O ZINC001236744912 819590045 /nfs/dbraw/zinc/59/00/45/819590045.db2.gz IZERLEQQPJVWKY-UHFFFAOYSA-N 1 0 288.185 3.005 20 10 CGCDRO CCc1ccc(C[N@@H+]2CC[C@]3(CC3(F)F)C2)c(O)c1 ZINC001236794246 819596632 /nfs/dbraw/zinc/59/66/32/819596632.db2.gz JZPZWVGQGPAFJZ-AWEZNQCLSA-N 1 0 267.319 3.186 20 10 CGCDRO CCc1ccc(C[N@H+](CC)Cc2ccccn2)c(O)c1 ZINC001236795639 819596771 /nfs/dbraw/zinc/59/67/71/819596771.db2.gz XJUHAUBZBLQBRF-UHFFFAOYSA-N 1 0 270.376 3.372 20 10 CGCDRO CCc1ccc(C[N@H+](CC)Cc2cccnc2)c(O)c1 ZINC001236795319 819596862 /nfs/dbraw/zinc/59/68/62/819596862.db2.gz UBVKUBZDYAYFGD-UHFFFAOYSA-N 1 0 270.376 3.372 20 10 CGCDRO CCC[N@H+](Cc1ccc(CC)cc1O)C1CCOCC1 ZINC001236793616 819597236 /nfs/dbraw/zinc/59/72/36/819597236.db2.gz ZVFYUKZTTIDROO-UHFFFAOYSA-N 1 0 277.408 3.346 20 10 CGCDRO CCc1ccc(C[NH+]2CCC(c3ccn(C)n3)CC2)c(O)c1 ZINC001236792336 819598346 /nfs/dbraw/zinc/59/83/46/819598346.db2.gz PPLDELUXUGFMEE-UHFFFAOYSA-N 1 0 299.418 3.068 20 10 CGCDRO CCO[C@@H]1CCC[N@H+](Cc2c(O)cc(OC)cc2Cl)C1 ZINC001236798785 819598877 /nfs/dbraw/zinc/59/88/77/819598877.db2.gz HRFFVGNSIXBJRE-LLVKDONJSA-N 1 0 299.798 3.055 20 10 CGCDRO CCCO[C@@H]1CC[N@H+](Cc2c(O)cc(OC)cc2Cl)C1 ZINC001236801204 819600529 /nfs/dbraw/zinc/60/05/29/819600529.db2.gz ZJZYZFJWYGAQLH-LLVKDONJSA-N 1 0 299.798 3.055 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](C)C2)c(Cl)c1 ZINC001236804866 819603124 /nfs/dbraw/zinc/60/31/24/819603124.db2.gz UXFRKQIBJSZQGJ-SNVBAGLBSA-N 1 0 269.772 3.286 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2C[C@H](C)CC23CC3)c(Cl)c1 ZINC001236809320 819603728 /nfs/dbraw/zinc/60/37/28/819603728.db2.gz UTNGHYGJQDKTCN-SNVBAGLBSA-N 1 0 281.783 3.429 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CCCC[C@H](C)C2)c(O)c1 ZINC001236808714 819604654 /nfs/dbraw/zinc/60/46/54/819604654.db2.gz RMDJIHCFFPKMBK-LBPRGKRZSA-N 1 0 263.381 3.331 20 10 CGCDRO Oc1cc2ccccc2cc1C[NH+]1CC2(C1)CCCCO2 ZINC001236825712 819608296 /nfs/dbraw/zinc/60/82/96/819608296.db2.gz DCSQXYWFCYIZEL-UHFFFAOYSA-N 1 0 283.371 3.300 20 10 CGCDRO C[C@@H]1CCC[N@H+](Cc2cc3ccccc3cc2O)[C@H]1CO ZINC001236827139 819609945 /nfs/dbraw/zinc/60/99/45/819609945.db2.gz PWJCHAWADCYVMP-DYVFJYSZSA-N 1 0 285.387 3.138 20 10 CGCDRO C[C@@H]1CO[C@@H]2C[N@H+](Cc3cc4ccccc4cc3O)C[C@H]12 ZINC001236834031 819613824 /nfs/dbraw/zinc/61/38/24/819613824.db2.gz RZYJVQVOEJKADQ-XHBKTUGNSA-N 1 0 283.371 3.012 20 10 CGCDRO C[N@H+](Cc1cc2ccccc2cc1O)[C@@H]1CCCOC1 ZINC001236835546 819614713 /nfs/dbraw/zinc/61/47/13/819614713.db2.gz PTLBSDJKNUDOHU-MRXNPFEDSA-N 1 0 271.360 3.156 20 10 CGCDRO CC[C@H]([NH3+])CN(C)Cc1cccc(-c2ccccc2)c1O ZINC001236884797 819630152 /nfs/dbraw/zinc/63/01/52/819630152.db2.gz UFLMVCRCTBIKIN-INIZCTEOSA-N 1 0 284.403 3.228 20 10 CGCDRO CCOCC1CC[NH+](Cc2ccc(OCC)cc2O)CC1 ZINC001237043398 819648693 /nfs/dbraw/zinc/64/86/93/819648693.db2.gz NVYWPJDMWOBEEH-UHFFFAOYSA-N 1 0 293.407 3.039 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2C[C@@H](F)C[C@H]2C)c(O)c1 ZINC001237044942 819650051 /nfs/dbraw/zinc/65/00/51/819650051.db2.gz GAFUJEYKKDHNEX-RISCZKNCSA-N 1 0 251.345 3.448 20 10 CGCDRO CC(C)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(O)c1 ZINC001237045905 819650976 /nfs/dbraw/zinc/65/09/76/819650976.db2.gz MSKNQBGTAORGHD-BETUJISGSA-N 1 0 263.381 3.125 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2CCC[C@@](O)(CF)CC2)c(O)c1 ZINC001237047025 819651117 /nfs/dbraw/zinc/65/11/17/819651117.db2.gz YQOQAFUAAQRFTH-KRWDZBQOSA-N 1 0 295.398 3.202 20 10 CGCDRO CC(C)c1ccc(CN2CCC[N@@H+]3CCC[C@@H]3C2)c(O)c1 ZINC001237053389 819652923 /nfs/dbraw/zinc/65/29/23/819652923.db2.gz KPBWKSJVAGWYHI-QGZVFWFLSA-N 1 0 288.435 3.186 20 10 CGCDRO Oc1ccc(F)c(Cl)c1C[N@@H+]1CC[C@H]2CCCO[C@H]2C1 ZINC001237124950 819672678 /nfs/dbraw/zinc/67/26/78/819672678.db2.gz SWMBDEHYLXSBRO-YGRLFVJLSA-N 1 0 299.773 3.186 20 10 CGCDRO C[C@H]1C[C@H]2C[N@H+](Cc3c(O)ccc(F)c3Cl)CC[C@H]2O1 ZINC001237123545 819672784 /nfs/dbraw/zinc/67/27/84/819672784.db2.gz JHERSRRYWVNWDK-PKFCDNJMSA-N 1 0 299.773 3.184 20 10 CGCDRO CCC[N@H+](CCOC)Cc1c(O)ccc(F)c1Cl ZINC001237121410 819673344 /nfs/dbraw/zinc/67/33/44/819673344.db2.gz MQQUOCOHYDZPBO-UHFFFAOYSA-N 1 0 275.751 3.043 20 10 CGCDRO Oc1ccc(C(F)(F)F)cc1C[N@@H+]1CCC[C@H]2C[C@H]21 ZINC001237142278 819677091 /nfs/dbraw/zinc/67/70/91/819677091.db2.gz GJKFHHHLTKMFJK-JOYOIKCWSA-N 1 0 271.282 3.395 20 10 CGCDRO C[C@@H]1C[C@H]([NH3+])CN1Cc1cc(Cl)c(C(C)(C)C)cc1O ZINC001237204929 819697473 /nfs/dbraw/zinc/69/74/73/819697473.db2.gz QCYBUFYVJKEYKI-PWSUYJOCSA-N 1 0 296.842 3.265 20 10 CGCDRO C[N@H+](Cc1cnc(Cl)c(F)c1)Cc1ccccc1O ZINC001237405436 819745853 /nfs/dbraw/zinc/74/58/53/819745853.db2.gz RNGRQPUXOSMTDO-UHFFFAOYSA-N 1 0 280.730 3.212 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H](F)C(F)(F)CC1 ZINC001237483263 819761181 /nfs/dbraw/zinc/76/11/81/819761181.db2.gz PHARHMQEXJDLKW-ZDUSSCGKSA-N 1 0 273.298 3.270 20 10 CGCDRO CC[N@H+](Cc1ccc(F)c(C)n1)Cc1ccccc1O ZINC001237819331 819851211 /nfs/dbraw/zinc/85/12/11/819851211.db2.gz JHCHRCJQVIWBDZ-UHFFFAOYSA-N 1 0 274.339 3.257 20 10 CGCDRO Cc1cc(F)cc(C[NH+]2CCC(C)(F)CC2)c1O ZINC001238057340 819918391 /nfs/dbraw/zinc/91/83/91/819918391.db2.gz KILIEAHARMFJAM-UHFFFAOYSA-N 1 0 255.308 3.164 20 10 CGCDRO Cc1cc(F)cc(C[N@@H+]2CC[C@H](c3ccncc3)C2)c1O ZINC001238063324 819921025 /nfs/dbraw/zinc/92/10/25/819921025.db2.gz VPMISEASKZVVHL-AWEZNQCLSA-N 1 0 286.350 3.224 20 10 CGCDRO COCC[C@H]1CCCC[N@@H+]1Cc1cc(F)cc(C)c1O ZINC001238063593 819921116 /nfs/dbraw/zinc/92/11/16/819921116.db2.gz ZFNHNKUUXGKNCX-OAHLLOKOSA-N 1 0 281.371 3.231 20 10 CGCDRO CN(C)c1ccc(C2=CC[NH2+]CC2)cc1C(F)(F)F ZINC001240466939 821075845 /nfs/dbraw/zinc/07/58/45/821075845.db2.gz LWLHDQOIEQGPLE-UHFFFAOYSA-N 1 0 270.298 3.148 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]Cc1ccn(C)c1 ZINC001342407929 936466068 /nfs/dbraw/zinc/46/60/68/936466068.db2.gz UPGQAHSZAICDGC-TZMCWYRMSA-N 1 0 270.376 3.377 20 10 CGCDRO CC[C@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)[C@@H](C)CO1 ZINC001349536138 936951422 /nfs/dbraw/zinc/95/14/22/936951422.db2.gz UQGLPTGBXBRNTG-YJBOKZPZSA-N 1 0 288.435 3.286 20 10 CGCDRO Cc1cc(O)c(C[NH+]2CC(CC3CCOCC3)C2)cc1C ZINC001353605015 937072359 /nfs/dbraw/zinc/07/23/59/937072359.db2.gz HIWHRQIUQJKIPK-UHFFFAOYSA-N 1 0 289.419 3.258 20 10 CGCDRO FC1(F)[C@@H]2C[C@@H]([NH2+]Cc3ccc4c(c3)CCCO4)C[C@@H]21 ZINC001354172242 937093224 /nfs/dbraw/zinc/09/32/24/937093224.db2.gz XJXBLPSTPHJSBE-ZSOGYDGISA-N 1 0 279.330 3.145 20 10 CGCDRO Nc1ccc(CN2CCc3cc(F)c(F)cc3C2)cc1 ZINC001356082690 937152762 /nfs/dbraw/zinc/15/27/62/937152762.db2.gz CFBRGJFLAAKRMQ-UHFFFAOYSA-N 1 0 274.314 3.105 20 10 CGCDRO COc1ccc(C[NH2+]C[C@H](C)N2CCC[C@H](C)C2)cc1C ZINC001461045062 937561787 /nfs/dbraw/zinc/56/17/87/937561787.db2.gz NIZVCUCOSNUTEK-HOCLYGCPSA-N 1 0 290.451 3.214 20 10 CGCDRO CCC[C@H](C)[C@H](CO)[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC001461614769 937588709 /nfs/dbraw/zinc/58/87/09/937588709.db2.gz AAHFQFSFYJTYCD-YJBOKZPZSA-N 1 0 292.467 3.420 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)cc1C ZINC001461682904 937592285 /nfs/dbraw/zinc/59/22/85/937592285.db2.gz IVYXDNNQVBHWJX-IIAWOOMASA-N 1 0 277.408 3.439 20 10 CGCDRO CCn1nccc1C[NH2+]Cc1cc(C(C)C)ccc1O ZINC001462455671 937642520 /nfs/dbraw/zinc/64/25/20/937642520.db2.gz WLKITSCIYGZNNU-UHFFFAOYSA-N 1 0 273.380 3.022 20 10 CGCDRO C[C@H]1COC2(CCCC2)C[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC001307957051 933027779 /nfs/dbraw/zinc/02/77/79/933027779.db2.gz AFCYTVPPKRZVMV-HNNXBMFYSA-N 1 0 288.435 3.286 20 10 CGCDRO CCCOc1ccc(C[NH2+]C[C@@H]2CCCCO2)cc1C ZINC001308234848 933078957 /nfs/dbraw/zinc/07/89/57/933078957.db2.gz ZWNDMYKBEXOPJR-INIZCTEOSA-N 1 0 277.408 3.443 20 10 CGCDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@@](C)(O)c1ccco1 ZINC001308294360 933091077 /nfs/dbraw/zinc/09/10/77/933091077.db2.gz BNYLTTIIMBBVPC-GOSISDBHSA-N 1 0 298.386 3.077 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCCOCC2)cc1F ZINC001308348725 933099248 /nfs/dbraw/zinc/09/92/48/933099248.db2.gz XQLCZYXYJMYWFP-OAHLLOKOSA-N 1 0 294.414 3.331 20 10 CGCDRO CCCC[C@](C)(CO)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001308447723 933112624 /nfs/dbraw/zinc/11/26/24/933112624.db2.gz UPMHUFFPFKGHCF-QGZVFWFLSA-N 1 0 277.408 3.042 20 10 CGCDRO COCC1([NH2+]Cc2ccc3c(c2)CCCO3)CCCCC1 ZINC001308474959 933115663 /nfs/dbraw/zinc/11/56/63/933115663.db2.gz HVMVCBFLUUFYTN-UHFFFAOYSA-N 1 0 289.419 3.451 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](C)Cc2ccc(=O)[nH]c2)cc1 ZINC001308645879 933149530 /nfs/dbraw/zinc/14/95/30/933149530.db2.gz VJIPTLYOQNJOJT-UHFFFAOYSA-N 1 0 299.418 3.265 20 10 CGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CC(C)(C)[C@H]3COC[C@H]32)c1 ZINC001308815053 933181843 /nfs/dbraw/zinc/18/18/43/933181843.db2.gz QMYMARIBJWHIHJ-JKSUJKDBSA-N 1 0 289.419 3.372 20 10 CGCDRO CC[C@H](C)C[C@H](CO)[NH2+]Cc1cc(C(C)C)ccc1O ZINC001308834051 933186699 /nfs/dbraw/zinc/18/66/99/933186699.db2.gz MTYOPPJKSAMRKR-XJKSGUPXSA-N 1 0 279.424 3.402 20 10 CGCDRO COc1cc(C)cc(C[NH2+]C[C@H](C)C(C)(C)C)c1O ZINC001308944296 933209786 /nfs/dbraw/zinc/20/97/86/933209786.db2.gz VADIPDPTFRNEHO-LBPRGKRZSA-N 1 0 265.397 3.481 20 10 CGCDRO CN(C)c1ccc(CN2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001319829430 933938367 /nfs/dbraw/zinc/93/83/67/933938367.db2.gz UPBACCIKGNRZTL-UHFFFAOYSA-N 1 0 297.358 3.177 20 10 CGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]CCOc1cccnc1 ZINC001320411294 934045429 /nfs/dbraw/zinc/04/54/29/934045429.db2.gz LNQXMACHKMRVQW-DZGCQCFKSA-N 1 0 298.386 3.313 20 10 CGCDRO C[N@H+](CCC(F)(F)F)Cc1c(O)ccc2ccncc21 ZINC001324144057 934463889 /nfs/dbraw/zinc/46/38/89/934463889.db2.gz UGQCKJHKHYODTM-UHFFFAOYSA-N 1 0 284.281 3.325 20 10 CGCDRO Cc1cc(C[NH2+]C2(C3CC3)CCOCC2)ccc1N(C)C ZINC001324490478 934514143 /nfs/dbraw/zinc/51/41/43/934514143.db2.gz VZQOUSMEOWCTRN-UHFFFAOYSA-N 1 0 288.435 3.110 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2C)[C@@H](O)C(F)F ZINC001324848805 934865854 /nfs/dbraw/zinc/86/58/54/934865854.db2.gz SATRBKAOBUUFSU-KIGUWFBYSA-N 1 0 299.361 3.243 20 10 CGCDRO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@]12CCOC2 ZINC001325475979 934914355 /nfs/dbraw/zinc/91/43/55/934914355.db2.gz SXROCCXTDLKVJR-LJQANCHMSA-N 1 0 295.382 3.424 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+]C(C)(C)CF)cc1 ZINC001326637611 934996033 /nfs/dbraw/zinc/99/60/33/934996033.db2.gz QQLSJRRELRNCBC-AATRIKPKSA-N 1 0 250.361 3.104 20 10 CGCDRO C[C@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1ccccc1O ZINC001473724202 937819158 /nfs/dbraw/zinc/81/91/58/937819158.db2.gz QSXLTRACJKLOQQ-JTQLQIEISA-N 1 0 290.294 3.290 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CC[C@H](C)O2)cc1Cl ZINC001327823738 935086833 /nfs/dbraw/zinc/08/68/33/935086833.db2.gz IZUZZWVCDQJOIF-JQWIXIFHSA-N 1 0 269.772 3.011 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CC[C@@H]2[C@H](C1)C2(F)F)c1ccccc1O ZINC001328096963 935116283 /nfs/dbraw/zinc/11/62/83/935116283.db2.gz KXNRDRHEACQNDQ-YGNMPJRFSA-N 1 0 267.319 3.477 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C2CC3(CC3(F)F)C2)cc1C ZINC001328159033 935121455 /nfs/dbraw/zinc/12/14/55/935121455.db2.gz SRVMLUPOZDFHPX-UHFFFAOYSA-N 1 0 267.319 3.286 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C2CC3(CC3(F)F)C2)c1O ZINC001329585260 935229896 /nfs/dbraw/zinc/22/98/96/935229896.db2.gz JMNFEBBSGREVLJ-IPWFMCSPSA-N 1 0 283.318 3.239 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CCC1(CO)CCC1 ZINC001329675681 935239414 /nfs/dbraw/zinc/23/94/14/935239414.db2.gz RIWLHDYPRIUJJO-ZIAGYGMSSA-N 1 0 289.419 3.391 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC001330716989 935316139 /nfs/dbraw/zinc/31/61/39/935316139.db2.gz YUSLHMVYYQHWKT-ZYHUDNBSSA-N 1 0 298.390 3.034 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H](CN)C1CCCC1 ZINC001331835092 935412988 /nfs/dbraw/zinc/41/29/88/935412988.db2.gz PRIOESUIAHGDTH-SNPRPXQTSA-N 1 0 288.435 3.356 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCC[C@H](F)C2)c1 ZINC001332436681 935469179 /nfs/dbraw/zinc/46/91/79/935469179.db2.gz RYKZLVOUFLWCAH-QWHCGFSZSA-N 1 0 267.344 3.161 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C[C@H](CO)CC1CC1 ZINC001333325863 935525837 /nfs/dbraw/zinc/52/58/37/935525837.db2.gz IDWZCSRTIQUXRS-BPLDGKMQSA-N 1 0 289.419 3.247 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001334755336 936112262 /nfs/dbraw/zinc/11/22/62/936112262.db2.gz MMQRAIYLGBFNJB-ZXFPCRSPSA-N 1 0 285.387 3.014 20 10 CGCDRO Cc1cc(CC[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3C)nn1C ZINC001335295407 936137175 /nfs/dbraw/zinc/13/71/75/936137175.db2.gz CTEGWAGUVFZWHS-DOMZBBRYSA-N 1 0 299.418 3.123 20 10 CGCDRO C[C@@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)C1CCC1 ZINC001474102849 937840202 /nfs/dbraw/zinc/84/02/02/937840202.db2.gz RSCDJQVQULJTST-SNVBAGLBSA-N 1 0 268.351 3.309 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]Cc2cc(C)c[nH]c2=O)cc1 ZINC001474289111 937848687 /nfs/dbraw/zinc/84/86/87/937848687.db2.gz RLDUVOASYIJQJF-UHFFFAOYSA-N 1 0 299.418 3.232 20 10 CGCDRO CC[C@@H]1C[N@H+](Cc2c(C)cc(OC)cc2O)CCS1 ZINC001474369885 937855229 /nfs/dbraw/zinc/85/52/29/937855229.db2.gz RANSWXYEWPOADD-CYBMUJFWSA-N 1 0 281.421 3.037 20 10 CGCDRO Cc1cc(O)c(C[N@H+](C)C[C@@H]2CCCC[C@H]2O)cc1Cl ZINC001474390560 937856411 /nfs/dbraw/zinc/85/64/11/937856411.db2.gz HLGNVYQBIGVNBK-SWLSCSKDSA-N 1 0 297.826 3.337 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@H](C)[C@@H](F)C1 ZINC001474393365 937857047 /nfs/dbraw/zinc/85/70/47/937857047.db2.gz OWLSWPOPJBNKGB-LRDDRELGSA-N 1 0 264.388 3.241 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C[C@@H]2C[C@@H]2Cc2ccccc2)c1 ZINC001474752386 937878783 /nfs/dbraw/zinc/87/87/83/937878783.db2.gz WXFNMTFKDLXPAC-HOTGVXAUSA-N 1 0 297.398 3.369 20 10 CGCDRO COc1ccc(C[NH2+]C2([C@H]3CCCO3)CCC2)cc1C ZINC001560226964 938247935 /nfs/dbraw/zinc/24/79/35/938247935.db2.gz FBIMMWDCSFQPGE-MRXNPFEDSA-N 1 0 275.392 3.195 20 10 CGCDRO c1cnc2cccc(C[NH2+]Cc3ccc4c(c3)CCO4)c2c1 ZINC001560302619 938252076 /nfs/dbraw/zinc/25/20/76/938252076.db2.gz DYVUHYCTDKZTQH-UHFFFAOYSA-N 1 0 290.366 3.460 20 10 CGCDRO OC[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)C1CCCCC1 ZINC001560354130 938254761 /nfs/dbraw/zinc/25/47/61/938254761.db2.gz GZGKSCXUDWSSJA-KRWDZBQOSA-N 1 0 289.419 3.042 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C)c1O ZINC001560629380 938266781 /nfs/dbraw/zinc/26/67/81/938266781.db2.gz NYUCSORSZXJVAN-OLZOCXBDSA-N 1 0 263.381 3.330 20 10 CGCDRO COC1(C[N@H+](C)Cc2ccc(N3CCCC3)cc2)CCC1 ZINC001560815915 938277608 /nfs/dbraw/zinc/27/76/08/938277608.db2.gz VUGIXAITAPJGRZ-UHFFFAOYSA-N 1 0 288.435 3.288 20 10 CGCDRO Cc1ncccc1C[NH2+]Cc1ccc(Cl)cc1O ZINC001560960280 938286308 /nfs/dbraw/zinc/28/63/08/938286308.db2.gz XFJWQYHXOYGPFV-UHFFFAOYSA-N 1 0 262.740 3.039 20 10 CGCDRO OC[C@@H]1CCC[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000092455734 345840376 /nfs/dbraw/zinc/84/03/76/345840376.db2.gz JJWJCZXMAAYZLU-KRWDZBQOSA-N 1 0 283.371 3.016 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2cccc(Cl)c2[O-])CC(C)(C)O1 ZINC000124571516 370925821 /nfs/dbraw/zinc/92/58/21/370925821.db2.gz CAYNCXUTCYHTAU-SNVBAGLBSA-N 1 0 269.772 3.045 20 10 CGCDRO CC[C@H]([NH2+][C@@H](CCO)C(C)C)c1ccc(N(C)C)cc1 ZINC000123629357 370912611 /nfs/dbraw/zinc/91/26/11/370912611.db2.gz RYKAQVYSZJDZQJ-IRXDYDNUSA-N 1 0 278.440 3.200 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccccc2)c1 ZINC000019899563 368775537 /nfs/dbraw/zinc/77/55/37/368775537.db2.gz WTKWRACXJFGHSS-LBPRGKRZSA-N 1 0 257.333 3.252 20 10 CGCDRO CC(C)[C@@H](C[NH2+][C@@H](C)c1ccccc1O)N1CCCC1 ZINC000020200711 368804955 /nfs/dbraw/zinc/80/49/55/368804955.db2.gz GSYFJSFOEAOJKA-GOEBONIOSA-N 1 0 276.424 3.163 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](C)c1cc(OC)ccc1O)C(C)C ZINC000042584943 369225641 /nfs/dbraw/zinc/22/56/41/369225641.db2.gz FIKSXSHUHWXEEH-SMDDNHRTSA-N 1 0 251.370 3.486 20 10 CGCDRO C[C@@H]([NH2+]CCOc1ccccc1)c1ccccc1O ZINC000042895600 369236773 /nfs/dbraw/zinc/23/67/73/369236773.db2.gz UHBNWARNXBCZMT-CYBMUJFWSA-N 1 0 257.333 3.122 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+](C)Cc2cc(Cl)cn2C)c1 ZINC000091931217 370081668 /nfs/dbraw/zinc/08/16/68/370081668.db2.gz SVZZFIJPOWFGRA-UHFFFAOYSA-N 1 0 278.783 3.325 20 10 CGCDRO COc1cccc(C[NH2+][C@H]2CCC[C@@H](SC)C2)c1O ZINC000117393864 370589809 /nfs/dbraw/zinc/58/98/09/370589809.db2.gz SBVPKJUBCSOPNJ-QWHCGFSZSA-N 1 0 281.421 3.165 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H]1CC[N@H+](CC)C1)c1cccc(Cl)c1[O-] ZINC000287573847 371675213 /nfs/dbraw/zinc/67/52/13/371675213.db2.gz GZJHLCPCULHVAZ-WFASDCNBSA-N 1 0 296.842 3.428 20 10 CGCDRO CCC[C@H](CCO)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000152439808 371696112 /nfs/dbraw/zinc/69/61/12/371696112.db2.gz SQUOAOPJMUTVDD-LSDHHAIUSA-N 1 0 278.440 3.202 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H](C)[C@H](O)c2ccccc2)cc1C ZINC000288671353 371743565 /nfs/dbraw/zinc/74/35/65/371743565.db2.gz WLCFKVYKVQBSDF-KDOFPFPSSA-N 1 0 285.387 3.221 20 10 CGCDRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000290654392 372036221 /nfs/dbraw/zinc/03/62/21/372036221.db2.gz ZFXLLIVCMBVQSG-AAEUAGOBSA-N 1 0 279.380 3.172 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCOC(C)(C)C1)c1cc(F)ccc1O ZINC000159969556 372199543 /nfs/dbraw/zinc/19/95/43/372199543.db2.gz KTNHTDWGIDHJBX-JQWIXIFHSA-N 1 0 267.344 3.140 20 10 CGCDRO Cc1nnsc1C[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000293770321 372474874 /nfs/dbraw/zinc/47/48/74/372474874.db2.gz SOYVXJYHPJVRJF-SSDOTTSWSA-N 1 0 283.784 3.056 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H](CO)C1CCCCC1)c1ccccc1O ZINC000293777122 372479453 /nfs/dbraw/zinc/47/94/53/372479453.db2.gz SPPNPWLUWMJVSY-HIFRSBDPSA-N 1 0 277.408 3.232 20 10 CGCDRO COCC1(CC[NH2+][C@@H](C)c2ccccc2O)CCC1 ZINC000293709828 372457788 /nfs/dbraw/zinc/45/77/88/372457788.db2.gz MRHRAXXWDOTGDA-ZDUSSCGKSA-N 1 0 263.381 3.250 20 10 CGCDRO CC[C@H]([NH2+]C[C@H](OC)C1CC1)c1ccc(N(C)C)cc1 ZINC000293876279 372509739 /nfs/dbraw/zinc/50/97/39/372509739.db2.gz ZZGNOMLFVPJWDF-IRXDYDNUSA-N 1 0 276.424 3.218 20 10 CGCDRO Cc1cc(C[N@@H+]2CCC[C@@H]2c2cc[nH]n2)ccc1N(C)C ZINC000294108729 372583213 /nfs/dbraw/zinc/58/32/13/372583213.db2.gz MUKNRVHAPCEBSH-QGZVFWFLSA-N 1 0 284.407 3.121 20 10 CGCDRO C[C@H]([NH2+][C@@H](CO)c1ccccc1)c1cc(Cl)ccc1O ZINC000169520474 372629094 /nfs/dbraw/zinc/62/90/94/372629094.db2.gz AOCYTOVTKNCQLT-NHYWBVRUSA-N 1 0 291.778 3.430 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CCc3nccn3C2)c(O)c1 ZINC000294436771 372654336 /nfs/dbraw/zinc/65/43/36/372654336.db2.gz VBIGSIBCWOODKL-GJZGRUSLSA-N 1 0 299.418 3.119 20 10 CGCDRO CC[C@@H]([NH2+]CCc1nccnc1C)c1ccc(C)cc1O ZINC000294854508 372674699 /nfs/dbraw/zinc/67/46/99/372674699.db2.gz BOJMMYDFPHZQRM-OAHLLOKOSA-N 1 0 285.391 3.082 20 10 CGCDRO CCn1cc([C@@H](C)[NH2+][C@H](C)c2cc(OC)ccc2O)cn1 ZINC000294970156 372682719 /nfs/dbraw/zinc/68/27/19/372682719.db2.gz XIPIXUVOMLDQKD-VXGBXAGGSA-N 1 0 289.379 3.029 20 10 CGCDRO Cc1cccnc1CC[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000295018932 372686494 /nfs/dbraw/zinc/68/64/94/372686494.db2.gz MYPNYWHPENMLCR-UHFFFAOYSA-N 1 0 290.794 3.390 20 10 CGCDRO CCCOc1ccc(C[NH2+]C[C@@H](CCC)OC)c(O)c1 ZINC000295132181 372694478 /nfs/dbraw/zinc/69/44/78/372694478.db2.gz OQJWPRDAMRXKRE-OAHLLOKOSA-N 1 0 281.396 3.086 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]CCc1ccccc1F)CC2 ZINC000296214661 373055864 /nfs/dbraw/zinc/05/58/64/373055864.db2.gz ZNWAIYRCDSLMSH-OAHLLOKOSA-N 1 0 271.335 3.351 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](C)CCCO)c(O)c1 ZINC000296349034 373099308 /nfs/dbraw/zinc/09/93/08/373099308.db2.gz IFXXMXBCRUOEDK-SMDDNHRTSA-N 1 0 265.397 3.068 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)CCCCO)c1ccc(C)cc1O ZINC000296373707 373108755 /nfs/dbraw/zinc/10/87/55/373108755.db2.gz JIKNDNNFXNBAHR-ZFWWWQNUSA-N 1 0 265.397 3.292 20 10 CGCDRO Cc1ncsc1CC[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000296481701 373151278 /nfs/dbraw/zinc/15/12/78/373151278.db2.gz OGLXISXPQNMTBE-NSHDSACASA-N 1 0 276.405 3.359 20 10 CGCDRO COCC1(CC[NH2+][C@H]2CCc3cccc(O)c32)CCC1 ZINC000297216339 373260260 /nfs/dbraw/zinc/26/02/60/373260260.db2.gz HBDZTKVPLAAQMY-AWEZNQCLSA-N 1 0 275.392 3.176 20 10 CGCDRO CO[C@H](C[NH2+][C@@H]1CCc2cccc(O)c21)C(C)(C)C ZINC000297921201 373283630 /nfs/dbraw/zinc/28/36/30/373283630.db2.gz XDVDAKADDNQHMC-TZMCWYRMSA-N 1 0 263.381 3.030 20 10 CGCDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000179884435 373934249 /nfs/dbraw/zinc/93/42/49/373934249.db2.gz YIRUVXCKJGCEEG-SNVBAGLBSA-N 1 0 277.261 3.306 20 10 CGCDRO Cc1ccccc1[C@H](O)C[NH2+][C@H](C)c1ccccc1O ZINC000179903136 373936661 /nfs/dbraw/zinc/93/66/61/373936661.db2.gz VXPIMZDYOQUMMB-CXAGYDPISA-N 1 0 271.360 3.085 20 10 CGCDRO COc1cc(O)c(C[NH2+]C2(C)CCCCC2)cc1OC ZINC000181965614 374198265 /nfs/dbraw/zinc/19/82/65/374198265.db2.gz CLNLNDPZNSLNRF-UHFFFAOYSA-N 1 0 279.380 3.222 20 10 CGCDRO Cc1cc(Cl)cc(C[N@H+](C)Cc2cccnc2)c1O ZINC000182034055 374206413 /nfs/dbraw/zinc/20/64/13/374206413.db2.gz AFONTBMJXUMWBF-UHFFFAOYSA-N 1 0 276.767 3.381 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C2Cc3ccccc3C2)c1 ZINC000182391401 374268208 /nfs/dbraw/zinc/26/82/08/374268208.db2.gz MYGLTZKLYKPFAC-LBPRGKRZSA-N 1 0 283.371 3.219 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC[C@H]2CCCCO2)c1 ZINC000182895395 374339093 /nfs/dbraw/zinc/33/90/93/374339093.db2.gz BGZSGTUFTOIVIJ-QWHCGFSZSA-N 1 0 279.380 3.011 20 10 CGCDRO C[C@H]([NH2+][C@@H](C)[C@H](O)c1ccc(F)cc1)c1ccccc1O ZINC000183516583 374422232 /nfs/dbraw/zinc/42/22/32/374422232.db2.gz XFZQGIHGPMNQRC-PRXAMGSTSA-N 1 0 289.350 3.304 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1CC[C@H](O)C1)c1cc2c(cc1O)CCCC2 ZINC000189304146 375360680 /nfs/dbraw/zinc/36/06/80/375360680.db2.gz GQFHZTNQXQJEJA-ZENOOKHLSA-N 1 0 289.419 3.083 20 10 CGCDRO C[C@H](O)[C@](C)(C[NH2+]Cc1ccccc1O)Cc1ccccc1 ZINC000191718277 375655816 /nfs/dbraw/zinc/65/58/16/375655816.db2.gz NWZXTLAGVWALDU-KXBFYZLASA-N 1 0 299.414 3.112 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CC[C@H]2CCCOC2)cc1Cl ZINC000529637214 375930685 /nfs/dbraw/zinc/93/06/85/375930685.db2.gz PTASXIZIBNJKBI-GFCCVEGCSA-N 1 0 283.799 3.260 20 10 CGCDRO C[C@@H](N[C@@H]1CC[NH2+]C12CCC2)c1ccc2ccccc2c1O ZINC000530217394 375939509 /nfs/dbraw/zinc/93/95/09/375939509.db2.gz SSRXUGDRSOVMIE-CXAGYDPISA-N 1 0 296.414 3.481 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)cc1C ZINC000246234338 376993456 /nfs/dbraw/zinc/99/34/56/376993456.db2.gz FPLKFNCBIYHWJN-YOEHRIQHSA-N 1 0 275.392 3.010 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c(O)c1 ZINC000248736649 377392398 /nfs/dbraw/zinc/39/23/98/377392398.db2.gz PWAIVPGLGOSMQN-GUDXXQAFSA-N 1 0 287.403 3.309 20 10 CGCDRO CN(C)c1ccc(C[N@H+](CCCF)C2CC2)cc1 ZINC000268946655 378160247 /nfs/dbraw/zinc/16/02/47/378160247.db2.gz UOKYBLLEGPBWPN-UHFFFAOYSA-N 1 0 250.361 3.077 20 10 CGCDRO Cc1ccc([C@@H](O)C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)o1 ZINC000269059191 378183011 /nfs/dbraw/zinc/18/30/11/378183011.db2.gz SWCWATFCIDKMGR-BBRMVZONSA-N 1 0 288.391 3.038 20 10 CGCDRO Cc1csc(C2([NH2+]Cc3cc(F)ccc3O)CCC2)n1 ZINC000272246755 378594579 /nfs/dbraw/zinc/59/45/79/378594579.db2.gz BLFIRIWWBGBHFJ-UHFFFAOYSA-N 1 0 292.379 3.465 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H](O)CCc1ccccc1)c1ccccc1O ZINC000273316332 378742670 /nfs/dbraw/zinc/74/26/70/378742670.db2.gz OJIHZUMYUMEPSY-FUHWJXTLSA-N 1 0 299.414 3.427 20 10 CGCDRO C[C@H](c1ccncc1)[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000273392149 378743304 /nfs/dbraw/zinc/74/33/04/378743304.db2.gz KDCVWQUSYUUYNF-CYBMUJFWSA-N 1 0 287.382 3.480 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CC2(CCO)CCCC2)c(O)c1 ZINC000273466106 378748325 /nfs/dbraw/zinc/74/83/25/378748325.db2.gz DTIFQAWNJFFUIW-CQSZACIVSA-N 1 0 277.408 3.294 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)[C@@H]2CCCCO2)c1 ZINC000273460522 378748501 /nfs/dbraw/zinc/74/85/01/378748501.db2.gz IBQOZGUKZZQMLU-ZENOOKHLSA-N 1 0 263.381 3.309 20 10 CGCDRO CC[C@H](CCO)C[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000273595930 378755275 /nfs/dbraw/zinc/75/52/75/378755275.db2.gz QPFRPEWXJYUZRD-UONOGXRCSA-N 1 0 265.397 3.068 20 10 CGCDRO CCC1(C[NH2+][C@@H](C)c2cc(OC)ccc2O)CCOCC1 ZINC000273598608 378756101 /nfs/dbraw/zinc/75/61/01/378756101.db2.gz RHZZLURQRZHICL-ZDUSSCGKSA-N 1 0 293.407 3.258 20 10 CGCDRO Cc1cccc(C[NH2+][C@H]2CCc3cnn(C(C)C)c3C2)c1O ZINC000372811203 379202167 /nfs/dbraw/zinc/20/21/67/379202167.db2.gz BWPMWZMULWLSCN-INIZCTEOSA-N 1 0 299.418 3.125 20 10 CGCDRO c1ccc(C2(C[NH2+]Cc3ccc4c(c3)CCO4)CCC2)nc1 ZINC000375756407 379509868 /nfs/dbraw/zinc/50/98/68/379509868.db2.gz VWJJSYQBXLDWPU-UHFFFAOYSA-N 1 0 294.398 3.228 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(F)cc1[O-] ZINC000375887847 379514273 /nfs/dbraw/zinc/51/42/73/379514273.db2.gz JUWAFARBXKMDFD-LZWOXQAQSA-N 1 0 292.398 3.199 20 10 CGCDRO CO[C@H]1CC[N@H+](Cc2cc(C)c(C)cc2O)[C@H](C)C1 ZINC000282114738 379856322 /nfs/dbraw/zinc/85/63/22/379856322.db2.gz ALPVEAFZLCXIRJ-HIFRSBDPSA-N 1 0 263.381 3.008 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H]2CCCC23CCOCC3)c1 ZINC000282535587 379939714 /nfs/dbraw/zinc/93/97/14/379939714.db2.gz BTTNQNIJPWBVOR-INIZCTEOSA-N 1 0 275.392 3.140 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CC[S@@](=O)C(C)(C)C)c(O)c1 ZINC000284252859 380136469 /nfs/dbraw/zinc/13/64/69/380136469.db2.gz VUBZAEXDZZLIKT-ZUOKHONESA-N 1 0 297.464 3.207 20 10 CGCDRO CC[C@@H]([NH2+][C@H](C)CSC)c1ccc(F)cc1[O-] ZINC000286244547 380181683 /nfs/dbraw/zinc/18/16/83/380181683.db2.gz UDGJANDYXQSIEG-BXKDBHETSA-N 1 0 257.374 3.324 20 10 CGCDRO COc1ccc(N2CCC([NH2+]CCC3(C)CC3)CC2)cc1 ZINC000366279183 382306200 /nfs/dbraw/zinc/30/62/00/382306200.db2.gz GPCAUBMICGVVGV-UHFFFAOYSA-N 1 0 288.435 3.444 20 10 CGCDRO COC[C@@H]1CCCC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000368654647 382379213 /nfs/dbraw/zinc/37/92/13/382379213.db2.gz AXAMRCIWTHMXPX-MRXNPFEDSA-N 1 0 276.424 3.001 20 10 CGCDRO C[C@H](CCO)[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000121276750 392412732 /nfs/dbraw/zinc/41/27/32/392412732.db2.gz VNKAGAXUKGDKAE-ZIAGYGMSSA-N 1 0 294.414 3.238 20 10 CGCDRO CCOCC(C)(C)C[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000290517398 392449384 /nfs/dbraw/zinc/44/93/84/392449384.db2.gz YRLWZSKAHFNSFJ-ZDUSSCGKSA-N 1 0 265.397 3.414 20 10 CGCDRO CCSCC[C@@H](C)[NH2+]Cc1cccc(OC)c1O ZINC000135296341 392475008 /nfs/dbraw/zinc/47/50/08/392475008.db2.gz JCASQVGOBAKUAM-LLVKDONJSA-N 1 0 269.410 3.022 20 10 CGCDRO C[N@H+](CCc1ccc2c(c1)CCO2)Cc1ccccc1O ZINC000173359116 392625952 /nfs/dbraw/zinc/62/59/52/392625952.db2.gz ZWSRNUOGLBDWRN-UHFFFAOYSA-N 1 0 283.371 3.002 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@](C)(O)c2ccsc2)cc1C ZINC000174423544 392640599 /nfs/dbraw/zinc/64/05/99/392640599.db2.gz JVBVQIAUJQMHMB-MRXNPFEDSA-N 1 0 291.416 3.068 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2ccccc2O)[C@H](c2ccccc2)CO1 ZINC000179579905 392704746 /nfs/dbraw/zinc/70/47/46/392704746.db2.gz PZCFKLNHUCEBPL-PBHICJAKSA-N 1 0 283.371 3.354 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]CCc2ccsc2)c1O ZINC000228670514 393020478 /nfs/dbraw/zinc/02/04/78/393020478.db2.gz SOBJWCXGGUHXBP-UHFFFAOYSA-N 1 0 297.807 3.448 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H](CO)c2ccccc2)cc1 ZINC000236936243 393034742 /nfs/dbraw/zinc/03/47/42/393034742.db2.gz VFVOVHJYAHSGNU-LJQANCHMSA-N 1 0 298.430 3.356 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cccc(F)c2)c1 ZINC000020473390 171217541 /nfs/dbraw/zinc/21/75/41/171217541.db2.gz AKQPHAGHEHXWAK-NSHDSACASA-N 1 0 275.323 3.391 20 10 CGCDRO Cc1c([C@H](C)[NH2+][C@@H](C)c2ccc(C)cc2O)cnn1C ZINC000037167344 260072299 /nfs/dbraw/zinc/07/22/99/260072299.db2.gz DQEBJKGYLFBPBV-RYUDHWBXSA-N 1 0 273.380 3.154 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)c1cnn(C)c1C)c1ccccc1O ZINC000037167533 260072576 /nfs/dbraw/zinc/07/25/76/260072576.db2.gz RZRCPGXACJMRCY-ABAIWWIYSA-N 1 0 273.380 3.236 20 10 CGCDRO CC[C@H]([NH2+]C[C@](C)(O)c1ccsc1)c1ccccc1O ZINC000155977854 261110537 /nfs/dbraw/zinc/11/05/37/261110537.db2.gz LCRXWORIPSLCSA-HOCLYGCPSA-N 1 0 291.416 3.402 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H](CCO)CC(C)C)c1ccccc1O ZINC000156148064 261115272 /nfs/dbraw/zinc/11/52/72/261115272.db2.gz VFYAUPIXHGNRSN-GOEBONIOSA-N 1 0 279.424 3.478 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CCO[C@H](C2CC2)C1)c1cc(F)ccc1O ZINC000157745875 261151674 /nfs/dbraw/zinc/15/16/74/261151674.db2.gz RLHBVWFKHSDTMO-HICWGWBUSA-N 1 0 279.355 3.140 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1O)c1ccc(N(C)C)cc1 ZINC000165262058 261367705 /nfs/dbraw/zinc/36/77/05/261367705.db2.gz FKVIPMFXOJRUIO-BBWFWOEESA-N 1 0 276.424 3.097 20 10 CGCDRO CC[C@H](CCO)C[NH2+][C@H](C)c1ccc(N(C)CC)cc1 ZINC000166764660 261393042 /nfs/dbraw/zinc/39/30/42/261393042.db2.gz XENCHDYQXRNSTK-HUUCEWRRSA-N 1 0 278.440 3.202 20 10 CGCDRO Cc1cnc(C(C)(C)[NH2+]Cc2cc(F)ccc2O)s1 ZINC000180828231 261874896 /nfs/dbraw/zinc/87/48/96/261874896.db2.gz UJBRCYNPMMFKKB-UHFFFAOYSA-N 1 0 280.368 3.321 20 10 CGCDRO C[C@@H]([NH2+]C1CCN(C2CC2)CC1)c1cc(Cl)ccc1O ZINC000184913030 262033212 /nfs/dbraw/zinc/03/32/12/262033212.db2.gz WTCVSDGGSRDPAI-LLVKDONJSA-N 1 0 294.826 3.323 20 10 CGCDRO C[C@@H](O)c1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2O)cc1 ZINC000185120639 262042463 /nfs/dbraw/zinc/04/24/63/262042463.db2.gz GQWYGXFURPXVRM-NWDGAFQWSA-N 1 0 289.350 3.435 20 10 CGCDRO C[C@H]([NH2+]C[C@@H](O)C1CCCCC1)c1cc(F)ccc1O ZINC000185328408 262050636 /nfs/dbraw/zinc/05/06/36/262050636.db2.gz WKTFOBBHRRBWPT-MEDUHNTESA-N 1 0 281.371 3.123 20 10 CGCDRO CO[C@H](C[NH2+][C@@H](C)c1cc(C)ccc1O)C(C)(C)C ZINC000185617544 262062491 /nfs/dbraw/zinc/06/24/91/262062491.db2.gz XALRBNFRKRUQFE-SWLSCSKDSA-N 1 0 265.397 3.412 20 10 CGCDRO C[C@H]([NH2+]CCCNc1ccccn1)c1cc(F)ccc1O ZINC000185659991 262064865 /nfs/dbraw/zinc/06/48/65/262064865.db2.gz SAFFAEYKWXWHKE-LBPRGKRZSA-N 1 0 289.354 3.079 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCCc2ccccn2)c(O)c1 ZINC000186140878 262081634 /nfs/dbraw/zinc/08/16/34/262081634.db2.gz RDZVLQRLSQCVNC-AWEZNQCLSA-N 1 0 270.376 3.379 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CCCOCC1)c1cc2c(cc1O)CCCC2 ZINC000186234684 262085070 /nfs/dbraw/zinc/08/50/70/262085070.db2.gz CXPUNEVCANXWTO-CJNGLKHVSA-N 1 0 289.419 3.491 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCCOCC1)c1cc(Cl)ccc1O ZINC000186234073 262085327 /nfs/dbraw/zinc/08/53/27/262085327.db2.gz SKQWSTGLEDYTKL-JQWIXIFHSA-N 1 0 269.772 3.265 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1O)c1ccc2ccccc2c1O ZINC000186798195 262110498 /nfs/dbraw/zinc/11/04/98/262110498.db2.gz DXUPSTFYOZFZQZ-CSMYWGQOSA-N 1 0 285.387 3.500 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+][C@@H]2CCSC2)c(O)c1 ZINC000285051414 263089512 /nfs/dbraw/zinc/08/95/12/263089512.db2.gz INJUEARGOQVXNN-VXGBXAGGSA-N 1 0 251.395 3.165 20 10 CGCDRO Cc1cc(C[N@H+](C)Cc2cccnc2)ccc1N(C)C ZINC000293868760 263151385 /nfs/dbraw/zinc/15/13/85/263151385.db2.gz SLKRHDDRSDEOQF-UHFFFAOYSA-N 1 0 269.392 3.088 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)c1O ZINC000367740018 267114307 /nfs/dbraw/zinc/11/43/07/267114307.db2.gz IXSLTCAQVZOLRK-OLZOCXBDSA-N 1 0 295.810 3.212 20 10 CGCDRO CC[C@H](C)[C@H](C[NH2+][C@H](C)c1ccccc1O)OC ZINC000294285544 287714925 /nfs/dbraw/zinc/71/49/25/287714925.db2.gz TVISGQGDAXGWMA-ZOWXZIJZSA-N 1 0 251.370 3.104 20 10 CGCDRO C[C@@H](CCO)C1(C[NH2+][C@H]2CCc3cccc(O)c32)CCC1 ZINC000296826442 278234231 /nfs/dbraw/zinc/23/42/31/278234231.db2.gz MIFDJHJUIHRKLS-ZFWWWQNUSA-N 1 0 289.419 3.158 20 10 CGCDRO CC[C@H]([NH2+]Cc1c(C)nn(C)c1C)c1ccc(C)cc1O ZINC000280265602 288050866 /nfs/dbraw/zinc/05/08/66/288050866.db2.gz XMCLHMMTUTZWTQ-INIZCTEOSA-N 1 0 287.407 3.292 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C(C)(C)C ZINC000112375736 279491614 /nfs/dbraw/zinc/49/16/14/279491614.db2.gz KXWXVWJMRLOOQE-AWEZNQCLSA-N 1 0 276.424 3.047 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCCNc2ccccn2)c1 ZINC000185659515 327842201 /nfs/dbraw/zinc/84/22/01/327842201.db2.gz SEDVKOGEKXWLHD-CQSZACIVSA-N 1 0 285.391 3.248 20 10 CGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1C[C@H](C)O[C@@H]1C ZINC000394978517 328589430 /nfs/dbraw/zinc/58/94/30/328589430.db2.gz CTWXRTVLEPBJRY-NJZAAPMLSA-N 1 0 272.392 3.142 20 10 CGCDRO C[N@H+](Cc1ccccc1O)Cc1cccc2c1OCCCO2 ZINC000091956479 327187949 /nfs/dbraw/zinc/18/79/49/327187949.db2.gz BAXFWQOHIFONDX-UHFFFAOYSA-N 1 0 299.370 3.186 20 10 CGCDRO Cc1ccc(C[N@@H+](C)Cc2ccccc2O)cc1[N+](=O)[O-] ZINC000091956690 327188093 /nfs/dbraw/zinc/18/80/93/327188093.db2.gz NYPBKVHHNYUWMM-UHFFFAOYSA-N 1 0 286.331 3.241 20 10 CGCDRO Cc1cc(Cl)cc(CN2CC[C@H]([NH+]3CCCC3)C2)c1O ZINC000179949689 329213811 /nfs/dbraw/zinc/21/38/11/329213811.db2.gz VVWPCTMPGOQRKZ-HNNXBMFYSA-N 1 0 294.826 3.024 20 10 CGCDRO COCCC1CC[NH+]([C@H](C)c2cc(F)ccc2O)CC1 ZINC000527932947 330297667 /nfs/dbraw/zinc/29/76/67/330297667.db2.gz GDTGEXJNIQVYBD-GFCCVEGCSA-N 1 0 281.371 3.341 20 10 CGCDRO CCC[C@H](C[NH2+][C@H]1CCc2cccc(O)c21)OCC ZINC000527933715 330297670 /nfs/dbraw/zinc/29/76/70/330297670.db2.gz RXOIEPKEOOIBNY-KGLIPLIRSA-N 1 0 263.381 3.174 20 10 CGCDRO CCO[C@@]1(C)C[C@H]1[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000527983910 330298383 /nfs/dbraw/zinc/29/83/83/330298383.db2.gz YAWUNRJEGIGSBS-GOBQXLPFSA-N 1 0 279.355 3.237 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCN2C2CCCC2)c(O)c1 ZINC000528001086 330300040 /nfs/dbraw/zinc/30/00/40/330300040.db2.gz KXSSYXFZKBKNFO-GDBMZVCRSA-N 1 0 288.435 3.368 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1C[C@]1(C)OC(C)C)c1ccccc1O ZINC000528008949 330303765 /nfs/dbraw/zinc/30/37/65/330303765.db2.gz ULCXXBCEOUCCFS-IMJJTQAJSA-N 1 0 263.381 3.389 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1ccccc1O ZINC000159950324 330854846 /nfs/dbraw/zinc/85/48/46/330854846.db2.gz YWPWHRMIBFNOEG-TZMCWYRMSA-N 1 0 263.381 3.391 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@H]2CCC[C@@H](SC)C2)c1 ZINC000224819941 333226384 /nfs/dbraw/zinc/22/63/84/333226384.db2.gz MNYUGKCBTFTOQJ-GXTWGEPZSA-N 1 0 281.421 3.165 20 10 CGCDRO CCC(CC)(C[NH2+]Cc1cc2c(cc1O)OCO2)SC ZINC000230707797 333321304 /nfs/dbraw/zinc/32/13/04/333321304.db2.gz ZJXRXDTZXHLQFB-UHFFFAOYSA-N 1 0 297.420 3.132 20 10 CGCDRO C[C@H]1C[C@@H]1c1ccc(C[NH2+]Cc2ccccc2O)o1 ZINC000134226772 334084662 /nfs/dbraw/zinc/08/46/62/334084662.db2.gz UYLNOMGFNHRNDL-FZMZJTMJSA-N 1 0 257.333 3.398 20 10 CGCDRO C/C=C/C[C@@H](CO)[NH2+][C@H](CC)c1ccc(C)cc1O ZINC000280218976 518530449 /nfs/dbraw/zinc/53/04/49/518530449.db2.gz UQMFQZGLSFUSAO-OZQCQIJRSA-N 1 0 263.381 3.068 20 10 CGCDRO CC(C)C[C@H](CCO)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297576405 519332505 /nfs/dbraw/zinc/33/25/05/519332505.db2.gz GYLDFRXVUOGFHK-DZGCQCFKSA-N 1 0 277.408 3.014 20 10 CGCDRO CCOCCC[NH2+][C@H](CC)c1ccc(C)cc1O ZINC000280040365 519898526 /nfs/dbraw/zinc/89/85/26/519898526.db2.gz IUMXSUYTLAHDBO-CQSZACIVSA-N 1 0 251.370 3.168 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H]2CCOC[C@@H]2C)cc1 ZINC000286939394 520287341 /nfs/dbraw/zinc/28/73/41/520287341.db2.gz BBURBQYVWNXVCC-ZOBUZTSGSA-N 1 0 290.451 3.466 20 10 CGCDRO CCCOc1ccc(C[N@H+](C)[C@H]2CCSC2)c(O)c1 ZINC000130594934 520344535 /nfs/dbraw/zinc/34/45/35/520344535.db2.gz GNUWZXPLHIWMHO-ZDUSSCGKSA-N 1 0 281.421 3.118 20 10 CGCDRO CCCOc1ccc(C[NH2+]Cc2ccco2)c(O)c1 ZINC000101588722 520369577 /nfs/dbraw/zinc/36/95/77/520369577.db2.gz RSUZXECKCFDJNO-UHFFFAOYSA-N 1 0 261.321 3.064 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC(F)(F)[C@H](C)C2)c1 ZINC000291552400 521142663 /nfs/dbraw/zinc/14/26/63/521142663.db2.gz MLDUGKJIKAQYJM-LLVKDONJSA-N 1 0 285.334 3.268 20 10 CGCDRO CC[N@H+](Cc1cccc(OC)c1O)[C@H]1CCOC(C)(C)C1 ZINC000291583960 521353496 /nfs/dbraw/zinc/35/34/96/521353496.db2.gz PDHSIMGILBSSEN-AWEZNQCLSA-N 1 0 293.407 3.180 20 10 CGCDRO CC[N@H+](Cc1ccccn1)Cc1cc(C)c(C)cc1O ZINC000084481177 521395790 /nfs/dbraw/zinc/39/57/90/521395790.db2.gz KKZOTAHRPCUSMN-UHFFFAOYSA-N 1 0 270.376 3.426 20 10 CGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H]1CCSC1 ZINC000278523588 521689856 /nfs/dbraw/zinc/68/98/56/521689856.db2.gz YNBAHLFBXKXXMX-ZDUSSCGKSA-N 1 0 265.422 3.357 20 10 CGCDRO CC[C@H](C)c1nnc([C@@H](C)[NH2+][C@@H](C)c2ccccc2O)[nH]1 ZINC000277110054 522053266 /nfs/dbraw/zinc/05/32/66/522053266.db2.gz HVQIUUGSNREDMH-SDDRHHMPSA-N 1 0 288.395 3.436 20 10 CGCDRO CN(C)c1ccc(C[NH2+]Cc2c(O)cccc2Cl)cc1 ZINC000083551541 522209635 /nfs/dbraw/zinc/20/96/35/522209635.db2.gz DVWNHJBPHUVDPD-UHFFFAOYSA-N 1 0 290.794 3.401 20 10 CGCDRO COc1cc(Cl)cc(C[N@H+](C(C)C)[C@@H]2CCOC2)c1O ZINC000291278984 522537941 /nfs/dbraw/zinc/53/79/41/522537941.db2.gz OLUFUOUCOKMITA-CYBMUJFWSA-N 1 0 299.798 3.054 20 10 CGCDRO CC[C@@H](CO)[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000188671427 522572510 /nfs/dbraw/zinc/57/25/10/522572510.db2.gz UOUDVLGHPNBHNB-RDJZCZTQSA-N 1 0 290.451 3.489 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)c1ccccc1O ZINC000274804918 522619668 /nfs/dbraw/zinc/61/96/68/522619668.db2.gz WHQXMDGFBDXBFN-HIFRSBDPSA-N 1 0 291.391 3.119 20 10 CGCDRO CC[C@H]([NH2+]C[C@H]1COC2(CCCC2)O1)c1ccccc1O ZINC000274804927 522635839 /nfs/dbraw/zinc/63/58/39/522635839.db2.gz WHQXMDGFBDXBFN-ZFWWWQNUSA-N 1 0 291.391 3.119 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)CCOC)c1ccc(C)cc1O ZINC000279947466 522734044 /nfs/dbraw/zinc/73/40/44/522734044.db2.gz BMSGTVOMVXSKES-OCCSQVGLSA-N 1 0 251.370 3.166 20 10 CGCDRO CC[C@@H]([NH2+]CCc1nccs1)c1ccc(C)cc1O ZINC000280173536 522843993 /nfs/dbraw/zinc/84/39/93/522843993.db2.gz RHHHPHFXIQOKGE-CYBMUJFWSA-N 1 0 276.405 3.441 20 10 CGCDRO CCn1cc([C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2O)cn1 ZINC000296009927 523459726 /nfs/dbraw/zinc/45/97/26/523459726.db2.gz RBKJVFBSEPYXAD-GHMZBOCLSA-N 1 0 277.343 3.160 20 10 CGCDRO CCn1cc([C@H](C)[NH2+]Cc2ccc3c(c2)CCCN3C)cn1 ZINC000122937936 523473476 /nfs/dbraw/zinc/47/34/76/523473476.db2.gz PSAKPUZPZVTCCZ-AWEZNQCLSA-N 1 0 298.434 3.136 20 10 CGCDRO CC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000087011709 523673997 /nfs/dbraw/zinc/67/39/97/523673997.db2.gz UUCXKWRBNABXQY-YVEFUNNKSA-N 1 0 273.376 3.357 20 10 CGCDRO COc1ccc(CNC2CC[NH+](C(C)(C)C)CC2)cc1C ZINC000037786465 524069378 /nfs/dbraw/zinc/06/93/78/524069378.db2.gz IZZFVKITGKABLR-UHFFFAOYSA-N 1 0 290.451 3.356 20 10 CGCDRO Cc1cccc(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c1O ZINC000292854875 524404737 /nfs/dbraw/zinc/40/47/37/524404737.db2.gz UPHXANAVRPPCEL-OCCSQVGLSA-N 1 0 267.319 3.178 20 10 CGCDRO Cc1cccc(C[NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)c1O ZINC000271799966 524439846 /nfs/dbraw/zinc/43/98/46/524439846.db2.gz IPFMWEJRZXNVOZ-LSDHHAIUSA-N 1 0 277.408 3.384 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+](C)[C@H]2CCN(C)C[C@@H]2C)c1O ZINC000290343750 524860804 /nfs/dbraw/zinc/86/08/04/524860804.db2.gz FQORHXONPRIIBE-WFASDCNBSA-N 1 0 296.842 3.126 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2CCCC[C@H]2C[C@H](C)O)cc1C ZINC000280450836 525316840 /nfs/dbraw/zinc/31/68/40/525316840.db2.gz LHZBVLZQTRRYSH-HOCLYGCPSA-N 1 0 277.408 3.134 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCc3c2cccc3O)cc1C ZINC000266209838 525323533 /nfs/dbraw/zinc/32/35/33/525323533.db2.gz NYNDQPMBMCSUBU-INIZCTEOSA-N 1 0 283.371 3.492 20 10 CGCDRO C[C@H]([NH2+]CC[C@](C)(O)c1ccccc1)c1ccccc1O ZINC000187894874 525366441 /nfs/dbraw/zinc/36/64/41/525366441.db2.gz BEJUFEIAZKMVOE-KSSFIOAISA-N 1 0 285.387 3.341 20 10 CGCDRO C[C@@H]([NH2+]CCC(C)(F)F)c1ccc(N(C)C)cc1 ZINC000294151510 525427938 /nfs/dbraw/zinc/42/79/38/525427938.db2.gz HMUMGFWHUWKAEX-LLVKDONJSA-N 1 0 256.340 3.449 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1COc2ccccc21)c1cc(F)ccc1O ZINC000290286693 525506767 /nfs/dbraw/zinc/50/67/67/525506767.db2.gz MNARDBJLVOCTKW-NEPJUHHUSA-N 1 0 287.334 3.358 20 10 CGCDRO C[C@@H](O)CC[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000268903854 525770665 /nfs/dbraw/zinc/77/06/65/525770665.db2.gz RCCGEIDSXYTYNO-KGLIPLIRSA-N 1 0 294.414 3.238 20 10 CGCDRO CS[C@@H](C)C[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000134937490 525808666 /nfs/dbraw/zinc/80/86/66/525808666.db2.gz SULJUKLYSYLUPA-DTWKUNHWSA-N 1 0 259.802 3.448 20 10 CGCDRO COc1cccc(C[NH2+][C@H](C)c2ccccc2O)c1 ZINC000037680140 526037392 /nfs/dbraw/zinc/03/73/92/526037392.db2.gz TVWLTKADHVXPET-GFCCVEGCSA-N 1 0 257.333 3.252 20 10 CGCDRO Cc1noc(C)c1C(C)(C)[NH2+]Cc1cccc(C)c1O ZINC000289816520 526476909 /nfs/dbraw/zinc/47/69/09/526476909.db2.gz NVJSJBMQQBIMDZ-UHFFFAOYSA-N 1 0 274.364 3.330 20 10 CGCDRO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1ccccc1O ZINC000290333745 526523912 /nfs/dbraw/zinc/52/39/12/526523912.db2.gz DXDNTAHZONMFRO-CQSZACIVSA-N 1 0 271.364 3.069 20 10 CGCDRO OCCCCC[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000280102761 527536193 /nfs/dbraw/zinc/53/61/93/527536193.db2.gz OMPLCSOARZPJBP-UHFFFAOYSA-N 1 0 285.387 3.311 20 10 CGCDRO OCC[C@@H](C[NH2+][C@H]1CCc2cccc(O)c21)c1ccccc1 ZINC000297719134 527560616 /nfs/dbraw/zinc/56/06/16/527560616.db2.gz NBGYPTBHZOBYPJ-IRXDYDNUSA-N 1 0 297.398 3.135 20 10 CGCDRO COc1ccc(C[NH2+]Cc2nccc3ccccc32)c(O)c1 ZINC000728782988 571821189 /nfs/dbraw/zinc/82/11/89/571821189.db2.gz WCXTZTSXZFCZPG-UHFFFAOYSA-N 1 0 294.354 3.239 20 10 CGCDRO Cc1cc(O)c(CN2CCC[C@@H]([NH+](C)C)C2)cc1C(C)C ZINC000738145870 572365737 /nfs/dbraw/zinc/36/57/37/572365737.db2.gz SHORCJBFIJQVGX-MRXNPFEDSA-N 1 0 290.451 3.350 20 10 CGCDRO C[C@H](Cc1cccc(O)c1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000731450666 572412912 /nfs/dbraw/zinc/41/29/12/572412912.db2.gz RPVGCJRXDWPUAG-CYBMUJFWSA-N 1 0 283.371 3.048 20 10 CGCDRO Cc1cc(CC[NH2+]C2CCOCC2)c(C)n1-c1ccccc1 ZINC000742366614 572566992 /nfs/dbraw/zinc/56/69/92/572566992.db2.gz LSCUOODXIQYBIS-UHFFFAOYSA-N 1 0 298.430 3.405 20 10 CGCDRO COc1cccc(C[NH2+][C@@H]2CC[C@@H]3CCC[C@@H]3C2)c1O ZINC000742379352 572571310 /nfs/dbraw/zinc/57/13/10/572571310.db2.gz WGTJZIOUVCKTOD-GZBFAFLISA-N 1 0 275.392 3.459 20 10 CGCDRO Cc1cccc2oc(CC[NH2+]Cc3ccccc3O)nc21 ZINC000742710240 572610774 /nfs/dbraw/zinc/61/07/74/572610774.db2.gz WAXUKWWLRJGDEH-UHFFFAOYSA-N 1 0 282.343 3.174 20 10 CGCDRO COc1cccc(O)c1C[NH2+]Cc1coc2ccccc12 ZINC000734004102 572623000 /nfs/dbraw/zinc/62/30/00/572623000.db2.gz NCUXTNCBNOYHGS-UHFFFAOYSA-N 1 0 283.327 3.437 20 10 CGCDRO Cc1cc(O)c(C[NH+]2C[C@H](C)S[C@@H](C)C2)cc1C ZINC000743377576 572655258 /nfs/dbraw/zinc/65/52/58/572655258.db2.gz PUHCWTLRISEABR-STQMWFEESA-N 1 0 265.422 3.335 20 10 CGCDRO Cc1ncc(C[NH2+][C@@H](C)c2ccc(C)cc2O)s1 ZINC000040997545 617985120 /nfs/dbraw/zinc/98/51/20/617985120.db2.gz KWIFPAJJPHKWCB-JTQLQIEISA-N 1 0 262.378 3.316 20 10 CGCDRO CCC[N@H+](CCCOC(C)C)Cc1ccccc1O ZINC000160160890 617607990 /nfs/dbraw/zinc/60/79/90/617607990.db2.gz YPWCEKOZGJGZKM-UHFFFAOYSA-N 1 0 265.397 3.419 20 10 CGCDRO CC[C@H](C)C[NH2+]Cc1cc(Br)ccc1O ZINC000233997996 617682103 /nfs/dbraw/zinc/68/21/03/617682103.db2.gz DIDGWUMNYYKNQR-VIFPVBQESA-N 1 0 272.186 3.290 20 10 CGCDRO Oc1ccc(C[NH2+]Cc2c(O)cccc2Cl)cc1F ZINC000120477851 617698044 /nfs/dbraw/zinc/69/80/44/617698044.db2.gz UZERZQURUZUGSZ-UHFFFAOYSA-N 1 0 281.714 3.180 20 10 CGCDRO COc1cc(C[N@@H+]2CCS[C@@H](C(C)C)C2)c(O)cc1C ZINC000160319363 617956634 /nfs/dbraw/zinc/95/66/34/617956634.db2.gz SWUYOFRIOZKPLU-MRXNPFEDSA-N 1 0 295.448 3.283 20 10 CGCDRO Oc1ccccc1C[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000076399144 617968637 /nfs/dbraw/zinc/96/86/37/617968637.db2.gz XNPDBGNVJPISOK-UHFFFAOYSA-N 1 0 267.250 3.099 20 10 CGCDRO CCC[C@@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000160393709 618035928 /nfs/dbraw/zinc/03/59/28/618035928.db2.gz LFAVTYNJVJWBAR-CYBMUJFWSA-N 1 0 293.407 3.422 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CCCSC)cc1 ZINC000070186386 618175495 /nfs/dbraw/zinc/17/54/95/618175495.db2.gz XVPNUBJKQLPOPR-UHFFFAOYSA-N 1 0 266.454 3.376 20 10 CGCDRO COc1ccc(C[N@H+](C)[C@H]2CCC[C@@H](C)C2)c(O)c1OC ZINC000891601403 618241196 /nfs/dbraw/zinc/24/11/96/618241196.db2.gz HIWDBYOAAYPQLG-OCCSQVGLSA-N 1 0 293.407 3.420 20 10 CGCDRO COc1ccc(C[N@H+](CC2CC2)C(C)C)c(O)c1OC ZINC000891683988 618246329 /nfs/dbraw/zinc/24/63/29/618246329.db2.gz MZHLOTBQYQLTEN-UHFFFAOYSA-N 1 0 279.380 3.030 20 10 CGCDRO CCOc1ccc(O)c(C[N@H+](C)CC(C)(C)C)c1 ZINC000092217696 618374131 /nfs/dbraw/zinc/37/41/31/618374131.db2.gz VKAAKTKDWMKVJS-UHFFFAOYSA-N 1 0 251.370 3.269 20 10 CGCDRO COCCC[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000051476361 618598271 /nfs/dbraw/zinc/59/82/71/618598271.db2.gz ROQDOCBWRDYKPC-UHFFFAOYSA-N 1 0 276.424 3.145 20 10 CGCDRO CC(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(F)cc2[O-])CC1 ZINC000184972738 625284112 /nfs/dbraw/zinc/28/41/12/625284112.db2.gz HEIGGTHHJJJNSL-CYBMUJFWSA-N 1 0 294.414 3.302 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2cccnc2N(C)C)c1 ZINC000185015445 625292269 /nfs/dbraw/zinc/29/22/69/625292269.db2.gz CNIMYYXROILHPM-ZDUSSCGKSA-N 1 0 285.391 3.012 20 10 CGCDRO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000892522029 618843533 /nfs/dbraw/zinc/84/35/33/618843533.db2.gz NGOQMSHWGKVPHA-OCCSQVGLSA-N 1 0 293.407 3.468 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCS[C@H]1C)c1ccc(N(C)C)cc1 ZINC000310757388 618856349 /nfs/dbraw/zinc/85/63/49/618856349.db2.gz ADTNCIKGTCGSJS-SLEUVZQESA-N 1 0 264.438 3.297 20 10 CGCDRO COC1([C@H](C)[NH2+][C@@H](C)c2ccc(C)cc2O)CCC1 ZINC000840883527 618868829 /nfs/dbraw/zinc/86/88/29/618868829.db2.gz DUVPOBDCKPNQME-STQMWFEESA-N 1 0 263.381 3.309 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCS[C@H]2C)c1O ZINC000311048996 618889393 /nfs/dbraw/zinc/88/93/93/618889393.db2.gz HZGJMJROQWUKPF-GZMMTYOYSA-N 1 0 287.812 3.038 20 10 CGCDRO COc1ccc(C[NH2+]C[C@H]2CCCC[C@@H]2C)c(O)c1OC ZINC000892677587 618899828 /nfs/dbraw/zinc/89/98/28/618899828.db2.gz HWFJLIHAFUHGMA-QWHCGFSZSA-N 1 0 293.407 3.325 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000840894014 618942329 /nfs/dbraw/zinc/94/23/29/618942329.db2.gz OOLMZXBUYHTNMZ-ZMSDIMECSA-N 1 0 290.451 3.007 20 10 CGCDRO COc1ccc(C[NH2+]C(C(C)C)C(C)C)c(O)c1OC ZINC000893145285 619005223 /nfs/dbraw/zinc/00/52/23/619005223.db2.gz DOHCMDLHIHCIHC-UHFFFAOYSA-N 1 0 281.396 3.180 20 10 CGCDRO CC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1cccc(C)c1O ZINC000180481088 619016528 /nfs/dbraw/zinc/01/65/28/619016528.db2.gz LPLAYTWHUIYEOX-GOSISDBHSA-N 1 0 299.414 3.474 20 10 CGCDRO COc1ccc(CNc2cc(C)cc(C)[nH+]2)c(O)c1OC ZINC000893203034 619027381 /nfs/dbraw/zinc/02/73/81/619027381.db2.gz RFFFFVQTZZBHNX-UHFFFAOYSA-N 1 0 288.347 3.033 20 10 CGCDRO CCO[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)c1ccccc1 ZINC000194461311 619140338 /nfs/dbraw/zinc/14/03/38/619140338.db2.gz UTYRRMMVULIUTG-LJQANCHMSA-N 1 0 297.398 3.489 20 10 CGCDRO C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000093499393 619200947 /nfs/dbraw/zinc/20/09/47/619200947.db2.gz UQOFWMXBGVGONE-OLZOCXBDSA-N 1 0 264.438 3.078 20 10 CGCDRO Cc1ccc(C[NH2+][C@H]2CCc3cccc(O)c32)nc1C ZINC000314168978 619218217 /nfs/dbraw/zinc/21/82/17/619218217.db2.gz MZDGTDJQYSMDLT-HNNXBMFYSA-N 1 0 268.360 3.181 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCCc1ccc(O)cc1 ZINC000840934819 619226539 /nfs/dbraw/zinc/22/65/39/619226539.db2.gz YDHVFIYBDYRRJF-UHFFFAOYSA-N 1 0 298.430 3.489 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1Cc2ccccc2O1)c1ccc(N(C)C)cc1 ZINC000314508411 619229987 /nfs/dbraw/zinc/22/99/87/619229987.db2.gz VPBRBVZZNQOMLQ-KDOFPFPSSA-N 1 0 296.414 3.407 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CC[C@@H]1CCO[C@@H](C)C1 ZINC000840940070 619231974 /nfs/dbraw/zinc/23/19/74/619231974.db2.gz VDQMMHPDYRIZQW-JKSUJKDBSA-N 1 0 290.451 3.356 20 10 CGCDRO CCOc1cccc(C[NH2+][C@H]2CCCC2(C)C)c1O ZINC000094266115 619242784 /nfs/dbraw/zinc/24/27/84/619242784.db2.gz RCBZZBLUNMSECC-AWEZNQCLSA-N 1 0 263.381 3.459 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCSC(C)C ZINC000840946047 619245541 /nfs/dbraw/zinc/24/55/41/619245541.db2.gz GUXQOLNSQALXHR-UHFFFAOYSA-N 1 0 266.454 3.292 20 10 CGCDRO Cc1cc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cnc1F ZINC000893684580 619279075 /nfs/dbraw/zinc/27/90/75/619279075.db2.gz RHLLPWVZJVLIMP-ZDUSSCGKSA-N 1 0 287.382 3.446 20 10 CGCDRO CCOc1cccc(C[NH2+][C@H](C)[C@@](C)(OC)C2CC2)c1O ZINC000840962029 619281683 /nfs/dbraw/zinc/28/16/83/619281683.db2.gz ZXXYLRWKJAJMAQ-SJKOYZFVSA-N 1 0 293.407 3.084 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1cccc(Cl)c1[O-] ZINC000925880932 619306554 /nfs/dbraw/zinc/30/65/54/619306554.db2.gz XDPKOMYLURQDCR-UHIISALHSA-N 1 0 282.815 3.214 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)[C@@H](O)Cc2ccccc2)c1 ZINC000248491014 619380354 /nfs/dbraw/zinc/38/03/54/619380354.db2.gz ILDGRANWOOKBHL-KHYOSLBOSA-N 1 0 299.414 3.343 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@H](C)CCC2CC2)c1O ZINC000894476487 619548895 /nfs/dbraw/zinc/54/88/95/619548895.db2.gz AGJJIWMKVGIKRV-GFCCVEGCSA-N 1 0 263.381 3.378 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@H]2CC23CCCC3)c1O ZINC000894562266 619575044 /nfs/dbraw/zinc/57/50/44/619575044.db2.gz GUNFKFSFGJHBNQ-AWEZNQCLSA-N 1 0 261.365 3.132 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCc3cccnc32)c1 ZINC000894783019 619635171 /nfs/dbraw/zinc/63/51/71/619635171.db2.gz PFDYGELARGFSLD-IAQYHMDHSA-N 1 0 284.359 3.134 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCOC[C@@H]1C(C)C ZINC000925081525 619644305 /nfs/dbraw/zinc/64/43/05/619644305.db2.gz RCAQNIUXWINBSN-QZTJIDSGSA-N 1 0 290.451 3.212 20 10 CGCDRO CCCC[C@H](COC)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000185494742 625363317 /nfs/dbraw/zinc/36/33/17/625363317.db2.gz HRQFJCSBBJGLQI-WCQYABFASA-N 1 0 269.360 3.387 20 10 CGCDRO CC[C@H]([NH2+]C1CC2(C1)CO[C@@H](C)C2)c1ccccc1O ZINC000895133058 619746172 /nfs/dbraw/zinc/74/61/72/619746172.db2.gz FNJVPUVLKXKRAW-XOSUWLCWSA-N 1 0 275.392 3.391 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@](C)(O)CCC(C)C)c1 ZINC000185527927 625370567 /nfs/dbraw/zinc/37/05/67/625370567.db2.gz FYFDAWISSZMVHU-GUYCJALGSA-N 1 0 295.423 3.239 20 10 CGCDRO Oc1cccc2c1C[N@H+](Cc1ccc3c(c1)CCCO3)C2 ZINC000895784486 619885493 /nfs/dbraw/zinc/88/54/93/619885493.db2.gz HWFWIQOLAOIOMJ-UHFFFAOYSA-N 1 0 281.355 3.233 20 10 CGCDRO Cc1ccc(C[NH2+]C[C@@H]2CCC3(CCC3)CO2)c(O)c1 ZINC000895807697 619889166 /nfs/dbraw/zinc/88/91/66/619889166.db2.gz ZEACBIJYPVJUTG-HNNXBMFYSA-N 1 0 275.392 3.140 20 10 CGCDRO CCCN(CCC)c1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2C)cc1 ZINC000788270291 619898760 /nfs/dbraw/zinc/89/87/60/619898760.db2.gz QWKMSIILPDRXBV-MAUKXSAKSA-N 1 0 290.451 3.268 20 10 CGCDRO Cc1cccc(C[NH+]2CCC(Nc3ccccn3)CC2)c1O ZINC000896195707 619964728 /nfs/dbraw/zinc/96/47/28/619964728.db2.gz OMNWBHYDQUPJJB-UHFFFAOYSA-N 1 0 297.402 3.172 20 10 CGCDRO CC(C)C[C@@H](CCO)C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000185615547 625397184 /nfs/dbraw/zinc/39/71/84/625397184.db2.gz JHYKVZYRFQHLGY-CHWSQXEVSA-N 1 0 283.387 3.227 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC2(C(F)(F)F)CC2)c1 ZINC000797070453 620174413 /nfs/dbraw/zinc/17/44/13/620174413.db2.gz MNUGPPRVPYKULF-SECBINFHSA-N 1 0 289.297 3.394 20 10 CGCDRO CCc1cccc(C[NH2+]C2([C@H]3CCCCO3)CC2)c1O ZINC000897387181 620279849 /nfs/dbraw/zinc/27/98/49/620279849.db2.gz JENFNVJRMXFTSK-OAHLLOKOSA-N 1 0 275.392 3.146 20 10 CGCDRO Cc1nc(CC[NH2+]Cc2cc(Cl)ccc2O)cs1 ZINC000227436631 620285513 /nfs/dbraw/zinc/28/55/13/620285513.db2.gz VTEMNXDEGAMMOF-UHFFFAOYSA-N 1 0 282.796 3.143 20 10 CGCDRO CO[C@@H](C[NH2+][C@H](C)c1ccc(Cl)cc1O)C1CC1 ZINC000841759555 620406071 /nfs/dbraw/zinc/40/60/71/620406071.db2.gz ZTZLCDHFRGOQBM-OTYXRUKQSA-N 1 0 269.772 3.121 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1COCc2ccccc21)c1ccccc1O ZINC000841761651 620407144 /nfs/dbraw/zinc/40/71/44/620407144.db2.gz QEAYHVUXZVCEHE-MLGOLLRUSA-N 1 0 269.344 3.314 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+][C@@H]1CCOC12CCCCC2 ZINC000897729173 620428222 /nfs/dbraw/zinc/42/82/22/620428222.db2.gz UHOHZSZRBQKTBD-OAHLLOKOSA-N 1 0 279.355 3.113 20 10 CGCDRO COc1cccc(C[NH2+][C@@H]2CCSC(C)(C)C2)c1O ZINC000897798951 620433976 /nfs/dbraw/zinc/43/39/76/620433976.db2.gz AGKMIONQZCFRKV-GFCCVEGCSA-N 1 0 281.421 3.165 20 10 CGCDRO Cc1cccc(C[NH2+]C2CC3(C2)COC(C)(C)C3)c1O ZINC000897972463 620451502 /nfs/dbraw/zinc/45/15/02/620451502.db2.gz BDBKWBSMAPAFCQ-UHFFFAOYSA-N 1 0 275.392 3.138 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCc2cccnc2C)cc1C ZINC000898257392 620505003 /nfs/dbraw/zinc/50/50/03/620505003.db2.gz UDEJBAIEINQQFI-UHFFFAOYSA-N 1 0 270.376 3.045 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@@H](c2ccncc2)C2CC2)c1O ZINC000898317565 620511157 /nfs/dbraw/zinc/51/11/57/620511157.db2.gz JFYVHFULUYWETQ-QGZVFWFLSA-N 1 0 298.386 3.345 20 10 CGCDRO Nc1ccc(N[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000841040007 620518161 /nfs/dbraw/zinc/51/81/61/620518161.db2.gz GHYPBQRNEHFXQU-IAGOWNOFSA-N 1 0 267.376 3.174 20 10 CGCDRO CCC[C@H](O)CC[NH2+][C@@H](CC)c1ccc(C)cc1O ZINC000927014550 620561002 /nfs/dbraw/zinc/56/10/02/620561002.db2.gz CTQJOAYDSFMRGA-ZFWWWQNUSA-N 1 0 265.397 3.292 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@H]2CCS[C@H](C)C2)c1O ZINC000927025734 620563920 /nfs/dbraw/zinc/56/39/20/620563920.db2.gz CYVORSHDSOCQPH-WOPDTQHZSA-N 1 0 281.421 3.336 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C2C[C@@H]3CCC[C@H]3C2)c1 ZINC000902867358 621473474 /nfs/dbraw/zinc/47/34/74/621473474.db2.gz CCDXSSWVSUZAKF-RYUDHWBXSA-N 1 0 261.365 3.069 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2C[C@H]2[C@@H]2C[C@H]2C)c1O ZINC000903255715 621644602 /nfs/dbraw/zinc/64/46/02/621644602.db2.gz ZONISAGJVJXYLK-NBUWXKEQSA-N 1 0 261.365 3.096 20 10 CGCDRO C[C@H]([NH2+]CC[C@@H]1CCCC[C@@H]1O)c1ccc(N(C)C)cc1 ZINC000903260951 621647314 /nfs/dbraw/zinc/64/73/14/621647314.db2.gz YRIWJEAQRBZPKA-ZVZYQTTQSA-N 1 0 290.451 3.344 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2Cc3ccccc3[C@H]2O)c(O)c1 ZINC000903440555 621749053 /nfs/dbraw/zinc/74/90/53/621749053.db2.gz QGCSUUIYYUYCTQ-URKNILKWSA-N 1 0 297.398 3.318 20 10 CGCDRO [O-]c1c(Cl)cccc1C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903959406 621837005 /nfs/dbraw/zinc/83/70/05/621837005.db2.gz HPWUZGHRGIPIPC-INIZCTEOSA-N 1 0 294.826 3.011 20 10 CGCDRO COc1cccc(C[NH2+][C@@H]2c3ccccc3NC2(C)C)c1O ZINC000903948933 621840187 /nfs/dbraw/zinc/84/01/87/621840187.db2.gz VYKGQHQOLDOEBH-QGZVFWFLSA-N 1 0 298.386 3.436 20 10 CGCDRO Cc1cccc(C[NH2+]Cc2cc(F)ccc2F)c1O ZINC000083458551 625522965 /nfs/dbraw/zinc/52/29/65/625522965.db2.gz DGBMGNZXYIDTTR-UHFFFAOYSA-N 1 0 263.287 3.269 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2CCC[C@H](c3ccn(C)n3)C2)cc1C ZINC000905725294 622100428 /nfs/dbraw/zinc/10/04/28/622100428.db2.gz YHVXCHRMWSECIK-HNNXBMFYSA-N 1 0 299.418 3.122 20 10 CGCDRO C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)c(F)c2)C[C@H](C)S1 ZINC000769142083 625560692 /nfs/dbraw/zinc/56/06/92/625560692.db2.gz SGDCFUQCWCCDNF-TXEJJXNPSA-N 1 0 282.428 3.218 20 10 CGCDRO CC[C@H]([NH2+][C@H]1C[C@H](C)N(C2CC2)C1)c1ccccc1O ZINC000156295416 622792657 /nfs/dbraw/zinc/79/26/57/622792657.db2.gz HYRHGJIZRNXYJT-XEZPLFJOSA-N 1 0 274.408 3.058 20 10 CGCDRO CC[C@H](C)[C@H](O)C[NH2+][C@@H](CC)c1ccc(N(C)C)cc1 ZINC000163954817 622809435 /nfs/dbraw/zinc/80/94/35/622809435.db2.gz OBIOZZRVXCLTQE-RRQGHBQHSA-N 1 0 278.440 3.200 20 10 CGCDRO C[C@H]([NH2+]CCN1CCCC[C@H]1C)c1ccc(N(C)C)cc1 ZINC000156610051 622826342 /nfs/dbraw/zinc/82/63/42/622826342.db2.gz DNWUOMLRQVVGRS-CVEARBPZSA-N 1 0 289.467 3.278 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@H]1CCCCS1)CC2 ZINC000311158994 622889963 /nfs/dbraw/zinc/88/99/63/622889963.db2.gz LOAMUDWMUOLLSW-OLZOCXBDSA-N 1 0 263.406 3.255 20 10 CGCDRO C[C@@H]1CC[C@@H]([NH2+]Cc2cc(F)ccc2O)[C@@H](C)C1 ZINC000226609220 622986605 /nfs/dbraw/zinc/98/66/05/622986605.db2.gz HCIGBXYYUCDEAD-UHIISALHSA-N 1 0 251.345 3.446 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCCCS2)c1 ZINC000157983201 622990170 /nfs/dbraw/zinc/99/01/70/622990170.db2.gz ILZWULVEZDSKLM-WCQYABFASA-N 1 0 281.421 3.337 20 10 CGCDRO Cc1cccc(C[NH2+]CC2(N(C)C)CCCCC2)c1O ZINC000158064654 622995024 /nfs/dbraw/zinc/99/50/24/622995024.db2.gz YZJNPXYSFWVOJV-UHFFFAOYSA-N 1 0 276.424 3.055 20 10 CGCDRO CC[C@@H](CCO)[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000168795043 623015782 /nfs/dbraw/zinc/01/57/82/623015782.db2.gz DZFTWMOQTNULBP-OCCSQVGLSA-N 1 0 273.376 3.357 20 10 CGCDRO COc1cc(Cl)cc(C[NH+]2C[C@H](C)[C@@H](C)C2)c1O ZINC000228667726 623070383 /nfs/dbraw/zinc/07/03/83/623070383.db2.gz YXPSBSSCDWYANZ-UWVGGRQHSA-N 1 0 269.772 3.142 20 10 CGCDRO C[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccsc1 ZINC000061361868 623131320 /nfs/dbraw/zinc/13/13/20/623131320.db2.gz HGSGAKOTAWBVPS-VIFPVBQESA-N 1 0 277.345 3.033 20 10 CGCDRO C[C@H]1OCC[C@@]1(C)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000230150809 623212808 /nfs/dbraw/zinc/21/28/08/623212808.db2.gz UFGFZXJQHWHNMJ-CRAIPNDOSA-N 1 0 288.435 3.334 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H]([NH3+])CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000817979567 625632677 /nfs/dbraw/zinc/63/26/77/625632677.db2.gz LWTVXWAKNVBQKD-JOYOIKCWSA-N 1 0 291.222 3.477 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]C(C)(C)C2CC2)c1O ZINC000230934632 623284313 /nfs/dbraw/zinc/28/43/13/623284313.db2.gz BPVYIHZYCDUBKY-UHFFFAOYSA-N 1 0 269.772 3.332 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]CC2(C)CCC2)c1O ZINC000230935164 623284961 /nfs/dbraw/zinc/28/49/61/623284961.db2.gz RMEJPSPVNYNWTM-UHFFFAOYSA-N 1 0 269.772 3.334 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+][C@H](C)CC(F)(F)F)c1O ZINC000231901437 623349079 /nfs/dbraw/zinc/34/90/79/623349079.db2.gz NQHOSKJEXGJTMW-SSDOTTSWSA-N 1 0 297.704 3.485 20 10 CGCDRO CC[C@H](C)C[C@@H](C)[NH2+]Cc1cc(OC)ccc1O ZINC000088293921 623426320 /nfs/dbraw/zinc/42/63/20/623426320.db2.gz DJNLKEYFQMWATK-NWDGAFQWSA-N 1 0 251.370 3.315 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H]3C[C@H]3C2)cc1Cl ZINC000827506324 623464299 /nfs/dbraw/zinc/46/42/99/623464299.db2.gz GPQPMNIUZONUGW-QWRGUYRKSA-N 1 0 251.757 3.196 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C(C)C)C2CC2)c1 ZINC000324105535 623565196 /nfs/dbraw/zinc/56/51/96/623565196.db2.gz MIJINKVSICFYEQ-BZNIZROVSA-N 1 0 263.381 3.486 20 10 CGCDRO CC[C@@H]([NH2+]CCN(CC)CC)c1ccc(N(C)C)cc1 ZINC000152810519 623720002 /nfs/dbraw/zinc/72/00/02/623720002.db2.gz HSSHEWFTNCZPKY-QGZVFWFLSA-N 1 0 277.456 3.135 20 10 CGCDRO CCC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(N(C)CC)cc1 ZINC000765945940 624034301 /nfs/dbraw/zinc/03/43/01/624034301.db2.gz RJQYPSFXNGBFGW-YOEHRIQHSA-N 1 0 278.440 3.344 20 10 CGCDRO Oc1ccc2ccncc2c1C[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000917473275 624272786 /nfs/dbraw/zinc/27/27/86/624272786.db2.gz OFWZWDHAMLMIGY-AEFFLSMTSA-N 1 0 298.386 3.084 20 10 CGCDRO COc1ccc(O)c(C[N@H+](C)CCCc2ccccc2)c1 ZINC000179694535 624678196 /nfs/dbraw/zinc/67/81/96/624678196.db2.gz LCZKEKHBSNZIGB-UHFFFAOYSA-N 1 0 285.387 3.465 20 10 CGCDRO CCC[N@@H+](Cc1cc(F)ccc1O)C[C@@H]1CCCCO1 ZINC000180083474 624716511 /nfs/dbraw/zinc/71/65/11/624716511.db2.gz TXSKHDDMQUSSCU-HNNXBMFYSA-N 1 0 281.371 3.312 20 10 CGCDRO CCC(O)(CC)C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000069160690 624800536 /nfs/dbraw/zinc/80/05/36/624800536.db2.gz MTDRDZOHYXCLDB-UHFFFAOYSA-N 1 0 290.451 3.318 20 10 CGCDRO Oc1ccc(F)cc1C[N@@H+]1CCc2ccccc2C1 ZINC000183242154 625054886 /nfs/dbraw/zinc/05/48/86/625054886.db2.gz KTYAEQMKPBQNRJ-UHFFFAOYSA-N 1 0 257.308 3.090 20 10 CGCDRO Cc1ncsc1C[NH2+][C@H](C)c1ccc(C)cc1O ZINC000071212557 625065830 /nfs/dbraw/zinc/06/58/30/625065830.db2.gz DTAJAFWAGSPXBL-SNVBAGLBSA-N 1 0 262.378 3.316 20 10 CGCDRO Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000183532106 625089353 /nfs/dbraw/zinc/08/93/53/625089353.db2.gz BPDRUHBLINDDDE-NWDGAFQWSA-N 1 0 287.407 3.024 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1CCCO1)c1ccc2ccccc2c1O ZINC000019963533 634440983 /nfs/dbraw/zinc/44/09/83/634440983.db2.gz IATSAEKYGZDSDR-JSGCOSHPSA-N 1 0 271.360 3.375 20 10 CGCDRO Cc1cncc(C[NH2+]Cc2ccc3c(c2)CCCO3)c1 ZINC000921936577 625937254 /nfs/dbraw/zinc/93/72/54/625937254.db2.gz DVJRSFXNCAPKCH-UHFFFAOYSA-N 1 0 268.360 3.005 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc3c2OCC3)c1 ZINC000922217451 625985232 /nfs/dbraw/zinc/98/52/32/625985232.db2.gz QDQTTWJXPJREEK-GFCCVEGCSA-N 1 0 299.370 3.187 20 10 CGCDRO C[C@@H](Cc1ccccn1)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922222240 625985745 /nfs/dbraw/zinc/98/57/45/625985745.db2.gz FHKYLWCKQCWJTH-AWEZNQCLSA-N 1 0 282.387 3.127 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccnn1C1CCC1)c1ccccc1O ZINC000922328923 625998310 /nfs/dbraw/zinc/99/83/10/625998310.db2.gz IXTGVRWSTVGQQR-GFCCVEGCSA-N 1 0 271.364 3.165 20 10 CGCDRO COC/C(C)=C\C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000929295910 626001193 /nfs/dbraw/zinc/00/11/93/626001193.db2.gz NFUNUYFWJNHQBP-PTNGSMBKSA-N 1 0 288.435 3.310 20 10 CGCDRO Oc1cccc(Cl)c1C[NH+]1CCC([C@H]2CCOC2)CC1 ZINC000753576828 626456172 /nfs/dbraw/zinc/45/61/72/626456172.db2.gz UDYZKTAEHNHGKL-ZDUSSCGKSA-N 1 0 295.810 3.294 20 10 CGCDRO Cc1ccc(O)c(CN(CCC[NH3+])c2cccc(F)c2)c1 ZINC000753591165 626457397 /nfs/dbraw/zinc/45/73/97/626457397.db2.gz OZHXWLWGIRXKFZ-UHFFFAOYSA-N 1 0 288.366 3.195 20 10 CGCDRO COc1cc(C)cc(C[NH+]2CCC(C)(C)CC2)c1O ZINC000754727476 626584882 /nfs/dbraw/zinc/58/48/82/626584882.db2.gz XUZYNAWWBWKOGW-UHFFFAOYSA-N 1 0 263.381 3.331 20 10 CGCDRO CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1cc(C)cc(OC)c1O ZINC000754735860 626585305 /nfs/dbraw/zinc/58/53/05/626585305.db2.gz FOSCZYBKXPABHA-OCCSQVGLSA-N 1 0 263.381 3.330 20 10 CGCDRO Cc1noc(C)c1[C@@H](C)[NH2+]Cc1cccc(C)c1O ZINC000124828092 634516449 /nfs/dbraw/zinc/51/64/49/634516449.db2.gz LACRRVOTQIDBHW-SNVBAGLBSA-N 1 0 260.337 3.156 20 10 CGCDRO C[C@H]([NH2+]CCN1CCC[C@@H](C)C1)c1cc(Cl)ccc1O ZINC000756417108 626703853 /nfs/dbraw/zinc/70/38/53/626703853.db2.gz PKFDJNFKTNLUFP-OLZOCXBDSA-N 1 0 296.842 3.428 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCCO2)c2c1c(F)ccc2O ZINC000756457813 626707167 /nfs/dbraw/zinc/70/71/67/626707167.db2.gz UULSBQYMSCAOIJ-MDZLAQPJSA-N 1 0 279.355 3.238 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C2CCN(CC(F)F)CC2)c(O)c1 ZINC000756504477 626710758 /nfs/dbraw/zinc/71/07/58/626710758.db2.gz TWJRNLIRBSSZQO-GFCCVEGCSA-N 1 0 298.377 3.081 20 10 CGCDRO CO[C@H](C)CC[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756525557 626712126 /nfs/dbraw/zinc/71/21/26/626712126.db2.gz QJQBMGBBCNWMRF-CKYFFXLPSA-N 1 0 267.344 3.094 20 10 CGCDRO CCN(CC[NH2+][C@H](C)c1ccc(C)c(C)c1O)C(C)C ZINC000756525264 626712131 /nfs/dbraw/zinc/71/21/31/626712131.db2.gz NNVULYKMGQENGY-OAHLLOKOSA-N 1 0 278.440 3.390 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CCOC2)c2c1c(F)ccc2O ZINC000756573558 626717151 /nfs/dbraw/zinc/71/71/51/626717151.db2.gz KUZLAJJNLBNZOI-SIVJFFJCSA-N 1 0 279.355 3.096 20 10 CGCDRO CC[C@H](C)[C@](C)(O)C[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000756576801 626717356 /nfs/dbraw/zinc/71/73/56/626717356.db2.gz PARDEROACAMPFW-FIXISWKDSA-N 1 0 285.815 3.493 20 10 CGCDRO CC[C@H](C)[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000756576414 626717364 /nfs/dbraw/zinc/71/73/64/626717364.db2.gz NMCXEJJTEIYVAU-JDFRZJQESA-N 1 0 279.424 3.457 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCNc2ccccc2)c1 ZINC000756642617 626724181 /nfs/dbraw/zinc/72/41/81/626724181.db2.gz OPMBYUCJUQTIBW-CQSZACIVSA-N 1 0 270.376 3.463 20 10 CGCDRO CO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(C)c(C)c2O)C1(C)C ZINC000756649313 626724884 /nfs/dbraw/zinc/72/48/84/626724884.db2.gz OQENRLJQKMYCMB-BPLDGKMQSA-N 1 0 277.408 3.473 20 10 CGCDRO C[C@H]([NH2+][C@H](CO)CC(F)(F)F)c1cc(Cl)ccc1O ZINC000756775359 626731327 /nfs/dbraw/zinc/73/13/27/626731327.db2.gz HDUYVLURPCDCME-CBAPKCEASA-N 1 0 297.704 3.010 20 10 CGCDRO CO[C@@H]1CCC[C@H]1C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756785292 626731758 /nfs/dbraw/zinc/73/17/58/626731758.db2.gz CJZDCHGIKNGMBZ-PKFCDNJMSA-N 1 0 285.334 3.136 20 10 CGCDRO C[C@H]([NH2+][C@@H](C)[C@H]1CCCOC1)c1cc(F)cc(F)c1[O-] ZINC000757635911 626795753 /nfs/dbraw/zinc/79/57/53/626795753.db2.gz BRBBRYSLOWBOGO-DCAQKATOSA-N 1 0 285.334 3.136 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCOC2)c2c1c(F)ccc2O ZINC000757658918 626798230 /nfs/dbraw/zinc/79/82/30/626798230.db2.gz VJDLZNFGPHVPGH-NQBHXWOUSA-N 1 0 279.355 3.096 20 10 CGCDRO COC1CCC(CC[NH2+]Cc2ccc(N(C)C)cc2)CC1 ZINC000757984659 626819444 /nfs/dbraw/zinc/81/94/44/626819444.db2.gz FUQKPOYXVWDFLK-UHFFFAOYSA-N 1 0 290.451 3.438 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H](O)CC(C)C)cc1 ZINC000765474582 627252040 /nfs/dbraw/zinc/25/20/40/627252040.db2.gz PLKLMBOKQQKHLJ-RHSMWYFYSA-N 1 0 278.440 3.200 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCN(C)C1)c1ccc(N2CCCCC2)cc1 ZINC000765767464 627269343 /nfs/dbraw/zinc/26/93/43/627269343.db2.gz KHNKQQMPWBOTQO-DOTOQJQBSA-N 1 0 287.451 3.032 20 10 CGCDRO COc1cccc(O)c1C[NH2+][C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC000766088518 627293596 /nfs/dbraw/zinc/29/35/96/627293596.db2.gz KIXPMKGVRKCEHP-HZPDHXFCSA-N 1 0 293.407 3.083 20 10 CGCDRO COc1cccc(C[NH2+][C@@H]2C[C@H](OC(C)C)C2(C)C)c1O ZINC000766091174 627294432 /nfs/dbraw/zinc/29/44/32/627294432.db2.gz WPACFUJPUXQQAM-CABCVRRESA-N 1 0 293.407 3.083 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCN2CC[C@H](C)C2)cc1 ZINC000766379992 627325357 /nfs/dbraw/zinc/32/53/57/627325357.db2.gz BCKZWDSLTQUSTO-JKSUJKDBSA-N 1 0 289.467 3.135 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCN2CC[C@@H](C)C2)cc1 ZINC000766379985 627325429 /nfs/dbraw/zinc/32/54/29/627325429.db2.gz BCKZWDSLTQUSTO-CVEARBPZSA-N 1 0 289.467 3.135 20 10 CGCDRO C[C@H](C[C@@H]1CCOC1)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000766583919 627346323 /nfs/dbraw/zinc/34/63/23/627346323.db2.gz XIPZUYFCRXULQV-KFWWJZLASA-N 1 0 276.424 3.218 20 10 CGCDRO Cc1ccc(O)c(C[N@H+](C)CCOc2ccc(F)cc2)c1 ZINC000768212562 627468901 /nfs/dbraw/zinc/46/89/01/627468901.db2.gz LPGNUFMIURENAS-UHFFFAOYSA-N 1 0 289.350 3.351 20 10 CGCDRO COc1cccc(O)c1C[N@H+](C)[C@H]1CCC[C@@H](C)C1 ZINC000768262375 627471540 /nfs/dbraw/zinc/47/15/40/627471540.db2.gz JJYDEGSLHNRGSB-OLZOCXBDSA-N 1 0 263.381 3.411 20 10 CGCDRO CCOc1ccc(O)c(C[N@H+](CC2CC2)C(C)C)c1 ZINC000768676341 627492319 /nfs/dbraw/zinc/49/23/19/627492319.db2.gz WZMSUAGRHVOCMO-UHFFFAOYSA-N 1 0 263.381 3.411 20 10 CGCDRO CC[C@H]1COCC[N@@H+]1Cc1ccc(N(CC)CC)cc1 ZINC000768882156 627505799 /nfs/dbraw/zinc/50/57/99/627505799.db2.gz RJQUUMYJKNQYHK-INIZCTEOSA-N 1 0 276.424 3.144 20 10 CGCDRO CC(C)OC1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000768992534 627514122 /nfs/dbraw/zinc/51/41/22/627514122.db2.gz NLOAAEPYJQBGMU-UHFFFAOYSA-N 1 0 276.424 3.142 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CCc2c(C)cccc2C1 ZINC000769339503 627543830 /nfs/dbraw/zinc/54/38/30/627543830.db2.gz QNKNQGUJSRKNPN-UHFFFAOYSA-N 1 0 283.371 3.268 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCc3c(F)cccc3C2)cc1 ZINC000769387748 627547916 /nfs/dbraw/zinc/54/79/16/627547916.db2.gz NHPVALGRDOLCAU-UHFFFAOYSA-N 1 0 284.378 3.450 20 10 CGCDRO CC[N@@H+]1CC[C@@H](N(C)Cc2c(O)cccc2Cl)C[C@H]1C ZINC000769469664 627556120 /nfs/dbraw/zinc/55/61/20/627556120.db2.gz CMKJVZATJWRVEH-CHWSQXEVSA-N 1 0 296.842 3.350 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000769498567 627560685 /nfs/dbraw/zinc/56/06/85/627560685.db2.gz LOGNGFWWHIAROE-BBRMVZONSA-N 1 0 293.432 3.261 20 10 CGCDRO CCSCC[C@@H](C)[N@H+](C)Cc1c(O)cccc1OC ZINC000769547759 627564294 /nfs/dbraw/zinc/56/42/94/627564294.db2.gz DGADPRUFCGSKDU-GFCCVEGCSA-N 1 0 283.437 3.364 20 10 CGCDRO CC(C)[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2O)CCO1 ZINC000771893750 627741779 /nfs/dbraw/zinc/74/17/79/627741779.db2.gz QLWCQPIJPCZRJX-HIFRSBDPSA-N 1 0 283.799 3.339 20 10 CGCDRO CCOc1ccc(C[NH2+][C@H]2CCO[C@H](C(C)C)C2)c(O)c1 ZINC000771891087 627741965 /nfs/dbraw/zinc/74/19/65/627741965.db2.gz XXHKTIGZEDUULI-YOEHRIQHSA-N 1 0 293.407 3.084 20 10 CGCDRO CSc1cc(C[NH2+]Cc2ccc3c(c2)CCO3)ccn1 ZINC000771895505 627743082 /nfs/dbraw/zinc/74/30/82/627743082.db2.gz PSRNKOIPNIROCE-UHFFFAOYSA-N 1 0 286.400 3.028 20 10 CGCDRO CC[C@@H]1C[N@H+](Cc2ccc(N(C)CC)cc2)CCS1 ZINC000773756160 627911563 /nfs/dbraw/zinc/91/15/63/627911563.db2.gz UGESPOFLPOTDCV-MRXNPFEDSA-N 1 0 278.465 3.470 20 10 CGCDRO CCN(C)c1ccc(C[N@H+](C)CC2CCOCC2)cc1 ZINC000773818274 627917158 /nfs/dbraw/zinc/91/71/58/627917158.db2.gz LLEKADGUZASWHT-UHFFFAOYSA-N 1 0 276.424 3.001 20 10 CGCDRO CCN(C)c1ccc(C[N@H+](C)C[C@H]2CCCC[C@@H]2O)cc1 ZINC000773832084 627917725 /nfs/dbraw/zinc/91/77/25/627917725.db2.gz MSNIZZFWFNDESO-AEFFLSMTSA-N 1 0 290.451 3.126 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](F)C2)cc1 ZINC000773831894 627917772 /nfs/dbraw/zinc/91/77/72/627917772.db2.gz JYWKYTRGKRKJME-CJNGLKHVSA-N 1 0 264.388 3.323 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCCN2C2CC2)c(O)c1 ZINC000774376923 627983508 /nfs/dbraw/zinc/98/35/08/627983508.db2.gz CJLDDDDIEIXPLD-ZBFHGGJFSA-N 1 0 288.435 3.368 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H]1CCCO1)c1cc(Cl)ccc1O ZINC000775483136 628098897 /nfs/dbraw/zinc/09/88/97/628098897.db2.gz MERWAXVOHLZMBV-DGCLKSJQSA-N 1 0 269.772 3.265 20 10 CGCDRO CC[C@@H]([NH2+]CC(C)(C)N(C)C)c1cc(Cl)ccc1O ZINC000775482904 628099089 /nfs/dbraw/zinc/09/90/89/628099089.db2.gz GHBZJJZMMZVMGC-CYBMUJFWSA-N 1 0 284.831 3.427 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)Cc1ccncc1)c1ccccc1O ZINC000775511350 628102564 /nfs/dbraw/zinc/10/25/64/628102564.db2.gz DWLHMMYQGASQCW-CJNGLKHVSA-N 1 0 270.376 3.459 20 10 CGCDRO Cc1cc(Cl)cc(CN2CCC[N@@H+](C(C)C)CC2)c1O ZINC000775636470 628117572 /nfs/dbraw/zinc/11/75/72/628117572.db2.gz CJXODLRUQZZJBF-UHFFFAOYSA-N 1 0 296.842 3.270 20 10 CGCDRO Cc1cccc(C[N@@H+](Cc2ccccc2)C[C@H](C)O)c1O ZINC000775658916 628121325 /nfs/dbraw/zinc/12/13/25/628121325.db2.gz SAPXCXCYCQEXFS-HNNXBMFYSA-N 1 0 285.387 3.084 20 10 CGCDRO Cc1cccc(C[N@@H+](C)CCN(C)c2ccccc2)c1O ZINC000775685560 628125762 /nfs/dbraw/zinc/12/57/62/628125762.db2.gz PNYYELAVYJFBHU-UHFFFAOYSA-N 1 0 284.403 3.269 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H]2c2cccc(F)c2)c1 ZINC000775723578 628129258 /nfs/dbraw/zinc/12/92/58/628129258.db2.gz BNSHXBYPMJCTRF-MRXNPFEDSA-N 1 0 287.334 3.487 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)c1O ZINC000775736149 628131495 /nfs/dbraw/zinc/13/14/95/628131495.db2.gz NXZJARDYAFIDCS-DOMZBBRYSA-N 1 0 295.810 3.355 20 10 CGCDRO CC(C)[C@@H]1CC[N@@H+]1Cc1cc(Br)ccc1O ZINC000775765090 628134259 /nfs/dbraw/zinc/13/42/59/628134259.db2.gz NFIONKGWRYWJNX-LBPRGKRZSA-N 1 0 284.197 3.385 20 10 CGCDRO C[C@@H]([NH2+]CCCc1ccncc1)c1ccc(N(C)C)cc1 ZINC000775830280 628140367 /nfs/dbraw/zinc/14/03/67/628140367.db2.gz GWZGAZOOGWCDJR-OAHLLOKOSA-N 1 0 283.419 3.431 20 10 CGCDRO C[C@H]([NH2+]Cc1ccnc(N(C)C)c1)c1ccc(N(C)C)cc1 ZINC000775834584 628141289 /nfs/dbraw/zinc/14/12/89/628141289.db2.gz AWSVFANKPIQUAH-AWEZNQCLSA-N 1 0 298.434 3.064 20 10 CGCDRO C[C@H](Cc1cccc(O)c1)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000776175010 628176737 /nfs/dbraw/zinc/17/67/37/628176737.db2.gz VCTCVXUDRMNVRG-CQSZACIVSA-N 1 0 284.403 3.179 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C(C)(C)c2cccs2)c1 ZINC000776175698 628176944 /nfs/dbraw/zinc/17/69/44/628176944.db2.gz WNCYJEBEKLGTBH-UHFFFAOYSA-N 1 0 277.389 3.487 20 10 CGCDRO C[C@@H]([NH2+][C@H](C)C(C)(C)O)c1ccc(N2CCCCC2)cc1 ZINC000776903375 628239728 /nfs/dbraw/zinc/23/97/28/628239728.db2.gz XPWVNSINXYSIHV-HUUCEWRRSA-N 1 0 290.451 3.487 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCC[C@@H]2C2CCOCC2)c1O ZINC000777439940 628269976 /nfs/dbraw/zinc/26/99/76/628269976.db2.gz RWFTXHJOCLQSTI-MRXNPFEDSA-N 1 0 275.392 3.092 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCC[C@H]2C2CCOCC2)c1O ZINC000777439939 628269998 /nfs/dbraw/zinc/26/99/98/628269998.db2.gz RWFTXHJOCLQSTI-INIZCTEOSA-N 1 0 275.392 3.092 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@H](OCC3CC3)C2)c1 ZINC000777554830 628282855 /nfs/dbraw/zinc/28/28/55/628282855.db2.gz JWDNHIMQQCRQHZ-KRWDZBQOSA-N 1 0 289.419 3.400 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2CC[C@@H](C)[C@H](F)C2)cc1C ZINC000777965965 628317052 /nfs/dbraw/zinc/31/70/52/628317052.db2.gz BXLBNRZJGDLMEQ-QMTHXVAHSA-N 1 0 251.345 3.189 20 10 CGCDRO Cc1ccc(OCC[N@@H+](C)Cc2cc(F)ccc2O)cc1 ZINC000778994869 628381733 /nfs/dbraw/zinc/38/17/33/628381733.db2.gz PPMQUCLEFPRLFT-UHFFFAOYSA-N 1 0 289.350 3.351 20 10 CGCDRO OCC[C@H]1CCC[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000779202592 628393995 /nfs/dbraw/zinc/39/39/95/628393995.db2.gz PHQXZCAJGISCOL-GOSISDBHSA-N 1 0 297.398 3.406 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H]2CCO)cc1F ZINC000779202995 628394322 /nfs/dbraw/zinc/39/43/22/628394322.db2.gz UTOFYMOXZAQKNF-OAHLLOKOSA-N 1 0 294.414 3.019 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@](O)(CC)C2)cc1F ZINC000779220148 628394981 /nfs/dbraw/zinc/39/49/81/628394981.db2.gz YKGQFHONXRSSFX-QGZVFWFLSA-N 1 0 294.414 3.019 20 10 CGCDRO CCC(CC)(C[NH2+]Cc1c(O)cccc1Cl)C(=O)OC ZINC000779608132 628417727 /nfs/dbraw/zinc/41/77/27/628417727.db2.gz ILIFCFPBITUXMW-UHFFFAOYSA-N 1 0 299.798 3.115 20 10 CGCDRO CCOc1ccc(O)c(C[NH+]2CCC(C)(COC)CC2)c1 ZINC000779606112 628417745 /nfs/dbraw/zinc/41/77/45/628417745.db2.gz KSAKEHZFIYXBMR-UHFFFAOYSA-N 1 0 293.407 3.039 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H]([C@H](C)O)C2)cc1 ZINC000780892975 628522947 /nfs/dbraw/zinc/52/29/47/628522947.db2.gz SKETXDZULFNSIS-RDJZCZTQSA-N 1 0 290.451 3.126 20 10 CGCDRO COc1ccc(N(C)CCC[NH+]2CCCCC2)cc1OC ZINC000781885725 628601844 /nfs/dbraw/zinc/60/18/44/628601844.db2.gz UHGVSYGNZGWFQH-UHFFFAOYSA-N 1 0 292.423 3.016 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@H](Cc3ccncc3)C2)c1 ZINC000782292108 628634632 /nfs/dbraw/zinc/63/46/32/628634632.db2.gz VBLARDCMBXTXQM-QGZVFWFLSA-N 1 0 296.414 3.469 20 10 CGCDRO C[C@@H]([NH2+]CCN1CCc2ccccc21)c1ccccc1O ZINC000783506610 628719273 /nfs/dbraw/zinc/71/92/73/628719273.db2.gz ZNKHYDQXAGHIRM-CQSZACIVSA-N 1 0 282.387 3.106 20 10 CGCDRO Cc1ccsc1[C@H](CO)[NH2+][C@@H](C)c1ccccc1O ZINC000783518721 628720763 /nfs/dbraw/zinc/72/07/63/628720763.db2.gz NXWTZCOHGZKLHY-AAEUAGOBSA-N 1 0 277.389 3.146 20 10 CGCDRO C[C@@H]([NH2+]CC1Cc2ccccc2C1)c1ccccc1O ZINC000783524139 628721477 /nfs/dbraw/zinc/72/14/77/628721477.db2.gz XRMUBFHYGHKQNG-CYBMUJFWSA-N 1 0 267.372 3.458 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)c1 ZINC000783544945 628723963 /nfs/dbraw/zinc/72/39/63/628723963.db2.gz RWRYBOJCRXDSSP-MELADBBJSA-N 1 0 263.381 3.007 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@]2(C)CCO[C@@H]2C)cc1F ZINC000784641023 628826843 /nfs/dbraw/zinc/82/68/43/628826843.db2.gz ULDKUJHWAFHMHC-DYVFJYSZSA-N 1 0 294.414 3.329 20 10 CGCDRO CO[C@@H](c1ccccc1)[C@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000786821448 628965572 /nfs/dbraw/zinc/96/55/72/628965572.db2.gz MPFZFCBDNCFALH-IFXJQAMLSA-N 1 0 297.398 3.487 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCc2ccc(CO)cc2)c(O)c1 ZINC000788687634 629073547 /nfs/dbraw/zinc/07/35/47/629073547.db2.gz CFLKSPAHCQGOBR-HNNXBMFYSA-N 1 0 299.414 3.395 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCOC(C)(C)C)c(O)c1 ZINC000788705996 629074708 /nfs/dbraw/zinc/07/47/08/629074708.db2.gz SFKWAIIZPAOYKK-CYBMUJFWSA-N 1 0 265.397 3.475 20 10 CGCDRO C[C@H](C1CC1)[N@H+](C)Cc1c(O)cccc1Br ZINC000862224080 629326320 /nfs/dbraw/zinc/32/63/20/629326320.db2.gz HSEIBMFPMPHHNX-SECBINFHSA-N 1 0 284.197 3.385 20 10 CGCDRO Cc1c(F)nccc1C[NH2+]CCCSc1nccs1 ZINC000862281159 629338884 /nfs/dbraw/zinc/33/88/84/629338884.db2.gz JIJFQGXLXQZLMF-UHFFFAOYSA-N 1 0 297.424 3.258 20 10 CGCDRO COCC[N@H+](Cc1cccc(C)c1O)[C@H]1CC[C@H](C)C1 ZINC000792193152 629347936 /nfs/dbraw/zinc/34/79/36/629347936.db2.gz RJRSIYRTKQGJRG-BBRMVZONSA-N 1 0 277.408 3.338 20 10 CGCDRO Oc1ccc([C@H]2CC[N@H+](Cc3cc(F)ccc3O)C2)cc1 ZINC000862540840 629396253 /nfs/dbraw/zinc/39/62/53/629396253.db2.gz KWNYSWDXHQUTKT-ZDUSSCGKSA-N 1 0 287.334 3.226 20 10 CGCDRO Cc1ccncc1C[NH2+]Cc1ccc(N(C)C)cc1C ZINC000792978526 629399375 /nfs/dbraw/zinc/39/93/75/629399375.db2.gz WHQGMWYJFFCYJZ-UHFFFAOYSA-N 1 0 269.392 3.054 20 10 CGCDRO CC(C)(C)[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000793369414 629449327 /nfs/dbraw/zinc/44/93/27/629449327.db2.gz FRGVDXUNNZUCCL-CYBMUJFWSA-N 1 0 291.391 3.379 20 10 CGCDRO Oc1cc2c(cc1C[NH+](C1CC1)C1CC1)CCCC2 ZINC000863302645 629528644 /nfs/dbraw/zinc/52/86/44/629528644.db2.gz HSCAALMXTFFWEV-UHFFFAOYSA-N 1 0 257.377 3.398 20 10 CGCDRO CC[C@H]([NH2+]C[C@H](O)CC(C)C)c1ccc(C)cc1O ZINC000794805851 629580128 /nfs/dbraw/zinc/58/01/28/629580128.db2.gz RIUSQELRNZVDMI-HIFRSBDPSA-N 1 0 265.397 3.148 20 10 CGCDRO CC[C@H]([NH2+][C@H](CO)CC1CCC1)c1ccc(N(C)C)cc1 ZINC000794830963 629582800 /nfs/dbraw/zinc/58/28/00/629582800.db2.gz AUDKRLVPFCGMSY-WMZOPIPTSA-N 1 0 290.451 3.344 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H](CO)CC2CCC2)c(O)c1C ZINC000794837182 629585944 /nfs/dbraw/zinc/58/59/44/629585944.db2.gz XBIIVAWKEADKRA-ZFWWWQNUSA-N 1 0 277.408 3.211 20 10 CGCDRO CC(=O)c1cc(F)cc(C[NH+]2CCC(C3CC3)CC2)c1O ZINC000794893718 629595455 /nfs/dbraw/zinc/59/54/55/629595455.db2.gz ATOHJSCWPJZQKC-UHFFFAOYSA-N 1 0 291.366 3.356 20 10 CGCDRO CCc1cccc(C[NH2+][C@H](C2CCC2)[C@@H]2CCOC2)c1O ZINC000864055462 629751044 /nfs/dbraw/zinc/75/10/44/629751044.db2.gz QAUWIAFOJCRBAY-IAGOWNOFSA-N 1 0 289.419 3.249 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](c3ccccn3)C2)cc1C ZINC000798964035 630130514 /nfs/dbraw/zinc/13/05/14/630130514.db2.gz HWISDJOLZUABPL-OAHLLOKOSA-N 1 0 282.387 3.394 20 10 CGCDRO Oc1cc2c(cc1C[NH+]1CCC3(CCO3)CC1)CCCC2 ZINC000799955466 630246543 /nfs/dbraw/zinc/24/65/43/630246543.db2.gz MXGAGHBTUDTRCP-UHFFFAOYSA-N 1 0 287.403 3.026 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000800529040 630291131 /nfs/dbraw/zinc/29/11/31/630291131.db2.gz YUAUNGSOUGYVJM-OAHLLOKOSA-N 1 0 291.753 3.442 20 10 CGCDRO COCC1(C[NH2+]Cc2cc(Cl)cc(C)c2O)CCC1 ZINC000800527173 630291206 /nfs/dbraw/zinc/29/12/06/630291206.db2.gz XAZZEODFDYVLAM-UHFFFAOYSA-N 1 0 283.799 3.260 20 10 CGCDRO C[C@H]1CC(CC[NH2+]Cc2cc(F)ccc2O)C[C@H](C)O1 ZINC000802658963 630403660 /nfs/dbraw/zinc/40/36/60/630403660.db2.gz ANQUGGBZEZRFJJ-RYUDHWBXSA-N 1 0 281.371 3.215 20 10 CGCDRO CCCC[N@H+](Cc1cn(C)nc1C)Cc1ccccc1O ZINC000802657857 630403666 /nfs/dbraw/zinc/40/36/66/630403666.db2.gz WLXHWEMEABGAHB-UHFFFAOYSA-N 1 0 287.407 3.236 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2C[C@@H]2C(F)F)cc1 ZINC000806170005 630552878 /nfs/dbraw/zinc/55/28/78/630552878.db2.gz UWKQDWXOYBIUNO-BPNCWPANSA-N 1 0 268.351 3.447 20 10 CGCDRO C[C@@H]([NH2+]CCN(C)C)c1ccc(N2CCCCCC2)cc1 ZINC000806171504 630553120 /nfs/dbraw/zinc/55/31/20/630553120.db2.gz MGMNCOGBUCFCIV-MRXNPFEDSA-N 1 0 289.467 3.279 20 10 CGCDRO CC[C@@H]1CN(C)CC[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC000840092591 630589769 /nfs/dbraw/zinc/58/97/69/630589769.db2.gz BRQQLQMSWJZLHL-OAHLLOKOSA-N 1 0 284.403 3.071 20 10 CGCDRO CC(C)SCC[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000808419082 630642568 /nfs/dbraw/zinc/64/25/68/630642568.db2.gz GHBZUGKCFVJGFD-UHFFFAOYSA-N 1 0 270.417 3.123 20 10 CGCDRO CCOc1ccc(C[NH2+]CCC2(F)CCC2)c(O)c1 ZINC000808428776 630643859 /nfs/dbraw/zinc/64/38/59/630643859.db2.gz OWPQWEOGVNQKMV-UHFFFAOYSA-N 1 0 267.344 3.163 20 10 CGCDRO CCN(CC[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O)C1CC1 ZINC000808690315 630664508 /nfs/dbraw/zinc/66/45/08/630664508.db2.gz LCSDSTQNPHEPNP-LBPRGKRZSA-N 1 0 296.842 3.489 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CC2(O)CCCC2)c1O ZINC000808696956 630666476 /nfs/dbraw/zinc/66/64/76/630666476.db2.gz YYOGXQLDDGLDMG-NSHDSACASA-N 1 0 283.799 3.310 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCC[C@H](C)CO)c1O ZINC000808707836 630667684 /nfs/dbraw/zinc/66/76/84/630667684.db2.gz AFFBCWQSUPJWDZ-JQWIXIFHSA-N 1 0 285.815 3.413 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCc2cnccn2)c1O ZINC000808709085 630667818 /nfs/dbraw/zinc/66/78/18/630667818.db2.gz BQTTYJVYHSUIKN-LLVKDONJSA-N 1 0 291.782 3.037 20 10 CGCDRO Cc1c(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)cnn1C ZINC000808709750 630668512 /nfs/dbraw/zinc/66/85/12/630668512.db2.gz ZBFSSMXLKROKIQ-SNVBAGLBSA-N 1 0 293.798 3.247 20 10 CGCDRO CCCCN(C)C[C@H](C)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000808732590 630672883 /nfs/dbraw/zinc/67/28/83/630672883.db2.gz LHESSQSVTRQRBD-QWHCGFSZSA-N 1 0 282.403 3.302 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H](C2CCC2)[C@@H]2CCCO2)c1 ZINC000865736789 630675691 /nfs/dbraw/zinc/67/56/91/630675691.db2.gz NIUBICAYQBGCLI-IRXDYDNUSA-N 1 0 275.392 3.138 20 10 CGCDRO COc1ccc(O)c(C[NH2+]Cc2cc(C)c(O)c(C)c2)c1 ZINC000809620351 630764634 /nfs/dbraw/zinc/76/46/34/630764634.db2.gz QBMMORBFKFNGMY-UHFFFAOYSA-N 1 0 287.359 3.013 20 10 CGCDRO Cc1ccc([C@@H](O)[C@H](C)[NH2+]Cc2cccc(C)c2O)cc1 ZINC000809701346 630785945 /nfs/dbraw/zinc/78/59/45/630785945.db2.gz DOZOHZJCGLFSFN-KSSFIOAISA-N 1 0 285.387 3.221 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+][C@H]2CSC[C@H]2C)c1O ZINC000809702519 630787332 /nfs/dbraw/zinc/78/73/32/630787332.db2.gz HMGXKXNWTJUPQT-SKDRFNHKSA-N 1 0 271.813 3.195 20 10 CGCDRO COc1cccc(C[N@@H+]2CCC[C@@H]2c2cccnc2)c1O ZINC000809728569 630793818 /nfs/dbraw/zinc/79/38/18/630793818.db2.gz BTJOPYGZJFWRRH-OAHLLOKOSA-N 1 0 284.359 3.133 20 10 CGCDRO COc1ccc(O)c(C[NH2+]Cc2ccc(SC)s2)c1 ZINC000810144544 630845987 /nfs/dbraw/zinc/84/59/87/630845987.db2.gz BPIVDBXMZIKUFX-UHFFFAOYSA-N 1 0 295.429 3.474 20 10 CGCDRO CCCN(CC)C[C@H](C)[NH2+]Cc1cc(OCC)ccc1O ZINC000810181187 630851040 /nfs/dbraw/zinc/85/10/40/630851040.db2.gz WIYRCMYGGDKXNN-AWEZNQCLSA-N 1 0 294.439 3.001 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2COc3c(C)cccc3C2)c1 ZINC000810177950 630851172 /nfs/dbraw/zinc/85/11/72/630851172.db2.gz FFSCISXJGZWRCL-INIZCTEOSA-N 1 0 283.371 3.102 20 10 CGCDRO CO[C@@H](C)[C@@H](C)[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000810257412 630859790 /nfs/dbraw/zinc/85/97/90/630859790.db2.gz QGHMWKXPRKMKSR-MXWKQRLJSA-N 1 0 271.788 3.428 20 10 CGCDRO CC1(C)C[N@H+](Cc2cc(Cl)ccc2O)[C@@H]1[C@@H]1CCCO1 ZINC000811510324 631078360 /nfs/dbraw/zinc/07/83/60/631078360.db2.gz CENWMUDWTHOCQU-LSDHHAIUSA-N 1 0 295.810 3.435 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CC(C)(C)[C@@H]2C2CC2)c(O)c1 ZINC000811513844 631082462 /nfs/dbraw/zinc/08/24/62/631082462.db2.gz SGRUWAUVGAIOCD-INIZCTEOSA-N 1 0 275.392 3.411 20 10 CGCDRO C[C@H]([NH2+]CCCCF)c1ccc(N2CCOCC2)c(F)c1 ZINC000812735821 631298853 /nfs/dbraw/zinc/29/88/53/631298853.db2.gz AXTVHQKLWYBQOW-ZDUSSCGKSA-N 1 0 298.377 3.063 20 10 CGCDRO CCOCc1cc(C[NH2+]CCCCF)ccc1OC ZINC000812773621 631305352 /nfs/dbraw/zinc/30/53/52/631305352.db2.gz JDULNOLKOSHDOJ-UHFFFAOYSA-N 1 0 269.360 3.071 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000876513380 634850084 /nfs/dbraw/zinc/85/00/84/634850084.db2.gz LKMTVIKXSLOHJB-OAHLLOKOSA-N 1 0 256.349 3.366 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(F)ccc2O)c1 ZINC000813330650 631410465 /nfs/dbraw/zinc/41/04/65/631410465.db2.gz BUZZKNTVNWAVPK-JTQLQIEISA-N 1 0 291.322 3.096 20 10 CGCDRO CC(C)[C@@H](O)C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000814627570 631614016 /nfs/dbraw/zinc/61/40/16/631614016.db2.gz MHUPHVJSMJNDBQ-KRWDZBQOSA-N 1 0 289.375 3.004 20 10 CGCDRO C[N@@H+](Cc1ccccc1O)C[C@@H](O)c1cc2ccccc2o1 ZINC000815070647 631711075 /nfs/dbraw/zinc/71/10/75/631711075.db2.gz WUKIPPMKFWOTES-MRXNPFEDSA-N 1 0 297.354 3.304 20 10 CGCDRO COCC1(C)CC[NH+](Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000815080183 631712397 /nfs/dbraw/zinc/71/23/97/631712397.db2.gz JBYRVKKLZCNBEV-UHFFFAOYSA-N 1 0 290.451 3.310 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)c(C)c1)[C@@H]1CCCO1 ZINC000815089013 631715428 /nfs/dbraw/zinc/71/54/28/631715428.db2.gz NDDUZNMKFKESTE-WBVHZDCISA-N 1 0 276.424 3.108 20 10 CGCDRO CCN(C)c1ccc(C[N@H+]([C@@H](C)CO)C2CCCC2)cc1 ZINC000815099714 631716044 /nfs/dbraw/zinc/71/60/44/631716044.db2.gz YXFDMNRREUQWRO-HNNXBMFYSA-N 1 0 290.451 3.268 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCO[C@@H](C(C)(C)C)C2)cc1 ZINC000815102915 631717678 /nfs/dbraw/zinc/71/76/78/631717678.db2.gz MLNREDMMBDPQQA-QGZVFWFLSA-N 1 0 290.451 3.390 20 10 CGCDRO CO[C@]1(C)CCC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000815102284 631717908 /nfs/dbraw/zinc/71/79/08/631717908.db2.gz HRAQBOCMAYQHON-QGZVFWFLSA-N 1 0 276.424 3.062 20 10 CGCDRO CCN(CC[NH2+][C@@H](C)c1c(C)cc(C)cc1O)C1CC1 ZINC000815573534 631798012 /nfs/dbraw/zinc/79/80/12/631798012.db2.gz MROXXDFVLLTNMN-AWEZNQCLSA-N 1 0 276.424 3.144 20 10 CGCDRO C[C@H]1C[NH+](Cc2ccc3ccccc3c2O)C[C@H](C)O1 ZINC000816478009 631987195 /nfs/dbraw/zinc/98/71/95/631987195.db2.gz QXJDQYWLJOFJOP-STQMWFEESA-N 1 0 271.360 3.155 20 10 CGCDRO CC(C)(C)C[N@H+](CCO)Cc1ccc2ccccc2c1O ZINC000816504752 631995823 /nfs/dbraw/zinc/99/58/23/631995823.db2.gz APVVJWUYZLDECR-UHFFFAOYSA-N 1 0 287.403 3.386 20 10 CGCDRO C[C@@H]1COCCC[N@@H+]1Cc1ccc2ccccc2c1O ZINC000816514045 631999111 /nfs/dbraw/zinc/99/91/11/631999111.db2.gz KQJFQDLTYMZTDM-CYBMUJFWSA-N 1 0 271.360 3.156 20 10 CGCDRO CCOC[C@H]1CC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816518616 632001966 /nfs/dbraw/zinc/00/19/66/632001966.db2.gz HYIHRHLKCKNZOH-AWEZNQCLSA-N 1 0 285.387 3.404 20 10 CGCDRO CCCCN(C)CC[NH2+]Cc1ccc2ccccc2c1O ZINC000816548996 632009017 /nfs/dbraw/zinc/00/90/17/632009017.db2.gz AAKZHCFVSRKKIE-UHFFFAOYSA-N 1 0 286.419 3.367 20 10 CGCDRO COCC(C)(C)C[NH2+]Cc1ccc2ccccc2c1O ZINC000816616618 632024154 /nfs/dbraw/zinc/02/41/54/632024154.db2.gz BGZLQFCMNOZLED-UHFFFAOYSA-N 1 0 273.376 3.308 20 10 CGCDRO CC[N@@H+](Cc1ccc2ccccc2c1O)C[C@@H](C)OC ZINC000816617382 632025144 /nfs/dbraw/zinc/02/51/44/632025144.db2.gz XKTLECLCGGEMFO-CYBMUJFWSA-N 1 0 273.376 3.402 20 10 CGCDRO CC[N@H+](Cc1ccc2ccccc2c1O)[C@H]1CCOC1 ZINC000816616949 632025347 /nfs/dbraw/zinc/02/53/47/632025347.db2.gz KDRLDWPMRSJZGN-HNNXBMFYSA-N 1 0 271.360 3.156 20 10 CGCDRO CC[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(C)c2O)CCO1 ZINC000817415146 632144671 /nfs/dbraw/zinc/14/46/71/632144671.db2.gz PISCJGOPFVGLLW-ZIAGYGMSSA-N 1 0 283.799 3.401 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCO[C@H](CC)C1)c1ccccc1O ZINC000817415782 632146261 /nfs/dbraw/zinc/14/62/61/632146261.db2.gz YSVBKUHHKAATMA-NFAWXSAZSA-N 1 0 263.381 3.391 20 10 CGCDRO c1cnc2c(c1)CC[C@@H]([NH2+]Cc1ccc3c(c1)CCO3)CC2 ZINC000817573649 632185944 /nfs/dbraw/zinc/18/59/44/632185944.db2.gz GTPHEIJHISTART-QGZVFWFLSA-N 1 0 294.398 3.054 20 10 CGCDRO CC[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(C)cc2O)CCO1 ZINC000817586446 632191520 /nfs/dbraw/zinc/19/15/20/632191520.db2.gz OOXTUQXSUKLLFO-MGPQQGTHSA-N 1 0 263.381 3.309 20 10 CGCDRO C[C@H]([NH2+]CCCC1(O)CCC1)c1ccc(N(C)C)cc1 ZINC000817586734 632192045 /nfs/dbraw/zinc/19/20/45/632192045.db2.gz RLRNDCOCGDXFAX-AWEZNQCLSA-N 1 0 276.424 3.098 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCCC2(O)CCC2)cc1 ZINC000817585810 632192186 /nfs/dbraw/zinc/19/21/86/632192186.db2.gz IRUBXWVUFGGIGA-HNNXBMFYSA-N 1 0 290.451 3.489 20 10 CGCDRO CC[C@@H]([NH2+]CCC[NH2+]C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817940930 632241228 /nfs/dbraw/zinc/24/12/28/632241228.db2.gz POUXYXIVYTVXNN-LLVKDONJSA-N 1 0 291.222 3.349 20 10 CGCDRO CCC(C)(C)[C@@H](C)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000817944072 632242255 /nfs/dbraw/zinc/24/22/55/632242255.db2.gz XFNPENDPIQQHAR-CJNGLKHVSA-N 1 0 277.456 3.167 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cccc(Cl)c1[O-] ZINC000817946445 632243793 /nfs/dbraw/zinc/24/37/93/632243793.db2.gz XFESRLMFTWLPAN-RISCZKNCSA-N 1 0 282.815 3.086 20 10 CGCDRO C[C@H](NC[C@H]1CCCC[NH2+]1)c1cc2c(cc1O)CCCC2 ZINC000817949900 632246852 /nfs/dbraw/zinc/24/68/52/632246852.db2.gz OUWNPXKGBLDDKS-XJKSGUPXSA-N 1 0 288.435 3.064 20 10 CGCDRO Cc1cccc2c1CC[C@@H]2[NH2+]CCc1ccc(N)cc1 ZINC000817956111 632251216 /nfs/dbraw/zinc/25/12/16/632251216.db2.gz QWQPIZXERUSHFF-SFHVURJKSA-N 1 0 266.388 3.397 20 10 CGCDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)c1cnn(C2CCCC2)c1 ZINC000817956967 632251977 /nfs/dbraw/zinc/25/19/77/632251977.db2.gz GMPLSBVVBUMUSI-CQSZACIVSA-N 1 0 298.434 3.474 20 10 CGCDRO CC[C@@H]([NH2+]CCc1ccc(N)cc1)c1ccccc1O ZINC000817957038 632252021 /nfs/dbraw/zinc/25/20/21/632252021.db2.gz HXOXGIPNKIPKHR-MRXNPFEDSA-N 1 0 270.376 3.258 20 10 CGCDRO Cc1c([C@@H](C)[NH2+]CCc2ccc(N)cc2)cnn1C(C)C ZINC000817957123 632252470 /nfs/dbraw/zinc/25/24/70/632252470.db2.gz JGQGPAPEOVAZJC-CYBMUJFWSA-N 1 0 286.423 3.248 20 10 CGCDRO Nc1ccc(CC[NH2+][C@H]2CCC[C@@H]2CCCF)cc1 ZINC000817958222 632253032 /nfs/dbraw/zinc/25/30/32/632253032.db2.gz TYDMEMZGQQIKQH-ZBFHGGJFSA-N 1 0 264.388 3.319 20 10 CGCDRO CCCC[C@@H](CN)[NH2+][C@H](C)c1ccc(N(C)CC)cc1 ZINC000817962832 632258644 /nfs/dbraw/zinc/25/86/44/632258644.db2.gz LJGMYAHEBUVQOO-ZBFHGGJFSA-N 1 0 277.456 3.311 20 10 CGCDRO CCC[NH2+]CCN[C@@H](C)c1cc(Cl)cc(C)c1O ZINC000817963305 632258929 /nfs/dbraw/zinc/25/89/29/632258929.db2.gz TZJBJSJWASCXRT-NSHDSACASA-N 1 0 270.804 3.004 20 10 CGCDRO C[C@@H](NC[C@H]([NH3+])C1CC1)c1ccc(N2CCCCC2)cc1 ZINC000817965211 632260602 /nfs/dbraw/zinc/26/06/02/632260602.db2.gz NVJFXLNQSNBONB-KDOFPFPSSA-N 1 0 287.451 3.065 20 10 CGCDRO COc1ccc(N2CC[C@H](C[NH2+]CC3(C)CCC3)C2)cc1 ZINC000818220193 632298743 /nfs/dbraw/zinc/29/87/43/632298743.db2.gz GMDQXXWSQRDWDX-OAHLLOKOSA-N 1 0 288.435 3.301 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2C[C@H]2C2CCC2)c1 ZINC000818355899 632313400 /nfs/dbraw/zinc/31/34/00/632313400.db2.gz KZRLMUXKWJZWRL-NZVBXONLSA-N 1 0 261.365 3.240 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3C[C@H]3C2)c2c1c(F)ccc2O ZINC000818359440 632314778 /nfs/dbraw/zinc/31/47/78/632314778.db2.gz KQLHOBVHLROHOH-BZNQNGANSA-N 1 0 261.340 3.468 20 10 CGCDRO C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@@H]1C)c1ccc(Cl)cc1O ZINC000866446698 633136888 /nfs/dbraw/zinc/13/68/88/633136888.db2.gz GSLHQMVYGYDHOC-COMAGPEQSA-N 1 0 269.772 3.262 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)[C@H](O)C(F)(F)F ZINC000866462890 633144931 /nfs/dbraw/zinc/14/49/31/633144931.db2.gz CLAUNCMGXDWZTA-CVJICSNFSA-N 1 0 297.704 3.008 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+][C@@H](C1CCC1)[C@@H]1CCCO1)CC2 ZINC000866490984 633158239 /nfs/dbraw/zinc/15/82/39/633158239.db2.gz HEPMDJJOWNAIIK-HFTRVMKXSA-N 1 0 287.403 3.317 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2C[C@H]2C(F)(F)F)c(O)c1 ZINC000866500680 633162625 /nfs/dbraw/zinc/16/26/25/633162625.db2.gz UFLWIAJSDXKQRP-FBIMIBRVSA-N 1 0 259.271 3.302 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2C[C@H]2C2CCOCC2)c1 ZINC000866539918 633182391 /nfs/dbraw/zinc/18/23/91/633182391.db2.gz SMXYJPCVRJCBIN-KMFMINBZSA-N 1 0 289.419 3.414 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]C[C@@H]1C[C@H]1C1CCOCC1)CC2 ZINC000866539634 633182807 /nfs/dbraw/zinc/18/28/07/633182807.db2.gz NWOUHYQWUHDMIN-HRCADAONSA-N 1 0 287.403 3.032 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CCCc3ccccc3C2)c(O)c1 ZINC000824320908 633230003 /nfs/dbraw/zinc/23/00/03/633230003.db2.gz MIQWHVCWLBUWGK-QGZVFWFLSA-N 1 0 297.398 3.438 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1C ZINC000824714413 633277681 /nfs/dbraw/zinc/27/76/81/633277681.db2.gz DMPNJISXVKJBKF-ZACQAIPSSA-N 1 0 289.419 3.134 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C[C@]2(C)CC2(Cl)Cl)cc1 ZINC000824758099 633284818 /nfs/dbraw/zinc/28/48/18/633284818.db2.gz JIICHOKSFLDKJZ-ZDUSSCGKSA-N 1 0 287.234 3.426 20 10 CGCDRO CO[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2O)CC1(C)C ZINC000824820513 633296239 /nfs/dbraw/zinc/29/62/39/633296239.db2.gz GVGAGWCYPYYBLR-CQSZACIVSA-N 1 0 283.799 3.293 20 10 CGCDRO CC(C)[C@H](CO)[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)C(C)C ZINC000824846441 633300325 /nfs/dbraw/zinc/30/03/25/633300325.db2.gz SCUWWWODVILDHE-ROUUACIJSA-N 1 0 292.467 3.131 20 10 CGCDRO CO[C@H]1C[C@@H]([N@H+](C)Cc2cc(C)ccc2O)C12CCC2 ZINC000825104323 633328860 /nfs/dbraw/zinc/32/88/60/633328860.db2.gz UFEKXRXPXBIUDG-CVEARBPZSA-N 1 0 275.392 3.090 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000825133681 633331915 /nfs/dbraw/zinc/33/19/15/633331915.db2.gz KHCFKMFQGWSBOA-OAHLLOKOSA-N 1 0 281.783 3.048 20 10 CGCDRO Cc1cc(O)c(C[NH2+]Cc2cccc(CO)c2)cc1Cl ZINC000825240073 633338932 /nfs/dbraw/zinc/33/89/32/633338932.db2.gz CWDJVMBFUATYSK-UHFFFAOYSA-N 1 0 291.778 3.136 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H](C)C[C@@H]2CCOC2)cc1Cl ZINC000825347081 633347965 /nfs/dbraw/zinc/34/79/65/633347965.db2.gz IROGXKBTZXZONW-NEPJUHHUSA-N 1 0 283.799 3.259 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CC[C@H]2CCCCO2)cc1Cl ZINC000825475806 633356428 /nfs/dbraw/zinc/35/64/28/633356428.db2.gz VRKNVWQAXPDACH-CYBMUJFWSA-N 1 0 283.799 3.403 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCO[C@@H](C3CC3)C2)cc1Cl ZINC000825525512 633362030 /nfs/dbraw/zinc/36/20/30/633362030.db2.gz FVTULQUUJQWTCK-XJKSGUPXSA-N 1 0 295.810 3.401 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCOC[C@H]2C)cc1Cl ZINC000825893192 633386761 /nfs/dbraw/zinc/38/67/61/633386761.db2.gz RTLPXJPVVXBOFH-NEPJUHHUSA-N 1 0 283.799 3.116 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@]3(CCOC3)C2)cc1Cl ZINC000826097034 633405460 /nfs/dbraw/zinc/40/54/60/633405460.db2.gz MTRXLQFUAXQEGH-MRXNPFEDSA-N 1 0 295.810 3.357 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@H]2C[C@H](Oc3ccccc3)C2)c1 ZINC000827190212 633469531 /nfs/dbraw/zinc/46/95/31/633469531.db2.gz RVGFLAZNJDUPHS-CZIWCDLHSA-N 1 0 299.370 3.100 20 10 CGCDRO CCSC1(C[NH2+]Cc2ccc(N(C)C)cc2C)CC1 ZINC000827511110 633495299 /nfs/dbraw/zinc/49/52/99/633495299.db2.gz ODEDBHMJKXZYFG-UHFFFAOYSA-N 1 0 278.465 3.436 20 10 CGCDRO Cc1ccc(C[NH2+]CCCSc2nccs2)o1 ZINC000123146473 633585132 /nfs/dbraw/zinc/58/51/32/633585132.db2.gz ZBCVBSQHVTWVQE-UHFFFAOYSA-N 1 0 268.407 3.317 20 10 CGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@]3(CC3(F)F)C2)cc1 ZINC000846118254 636147756 /nfs/dbraw/zinc/14/77/56/636147756.db2.gz WISIJZRRCRHKKH-CWDCEQMOSA-N 1 0 292.373 3.497 20 10 CGCDRO CCN(C)c1ccc(C[NH2+][C@H](C)c2cnn(CC)c2)cc1 ZINC000832314717 634046754 /nfs/dbraw/zinc/04/67/54/634046754.db2.gz VDSOQSRGFVWCEG-CQSZACIVSA-N 1 0 286.423 3.210 20 10 CGCDRO CCC[C@@](C)(CO)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000124084266 634145697 /nfs/dbraw/zinc/14/56/97/634145697.db2.gz MOAHJWCIYXBZAM-SFHVURJKSA-N 1 0 290.451 3.318 20 10 CGCDRO C[C@@H](CN1CCC[C@@H](C)C1)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834531260 634176692 /nfs/dbraw/zinc/17/66/92/634176692.db2.gz ULHZXUDYAYGTFY-YCPHGPKFSA-N 1 0 288.435 3.090 20 10 CGCDRO COc1cc(C)cc(C[NH+]2CCC(SC)CC2)c1O ZINC000872626894 634180096 /nfs/dbraw/zinc/18/00/96/634180096.db2.gz NZVOUVUJARXRFX-UHFFFAOYSA-N 1 0 281.421 3.037 20 10 CGCDRO Cc1nc(C)c(CC[NH2+][C@H]2CCc3cccc(O)c32)s1 ZINC000834575594 634187702 /nfs/dbraw/zinc/18/77/02/634187702.db2.gz LXDAACFYGQKKJL-ZDUSSCGKSA-N 1 0 288.416 3.285 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]CCc1cccc(F)c1F)CC2 ZINC000834646117 634207274 /nfs/dbraw/zinc/20/72/74/634207274.db2.gz YGOSQFOKNRYJTE-AWEZNQCLSA-N 1 0 289.325 3.490 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C)cc1Cn1cccn1 ZINC000873045889 634236202 /nfs/dbraw/zinc/23/62/02/634236202.db2.gz JPSNXSVZYRLVTA-WMLDXEAASA-N 1 0 299.418 3.218 20 10 CGCDRO C[C@@H]([NH2+]CCCC1CCOCC1)c1cc(F)ccc1O ZINC000834817829 634246828 /nfs/dbraw/zinc/24/68/28/634246828.db2.gz BWTVNUQPFLOJMY-GFCCVEGCSA-N 1 0 281.371 3.389 20 10 CGCDRO CCCOc1ccc(C[NH2+]C[C@H]2CC[C@@H](O)C2)cc1C ZINC000873113254 634248497 /nfs/dbraw/zinc/24/84/97/634248497.db2.gz VZSMBDHFYQWDBJ-JKSUJKDBSA-N 1 0 277.408 3.034 20 10 CGCDRO CC[C@H]([NH2+]CC[C@H](C)CCO)c1cc(Cl)ccc1O ZINC000834832206 634251758 /nfs/dbraw/zinc/25/17/58/634251758.db2.gz MTMIENNOBGGKKO-FZMZJTMJSA-N 1 0 285.815 3.495 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCn2ccnc21)c1ccc(N(C)C)cc1 ZINC000834835289 634253095 /nfs/dbraw/zinc/25/30/95/634253095.db2.gz HDPCXFLVLLIRLU-HOTGVXAUSA-N 1 0 284.407 3.135 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccncc2)C1)c1ccccc1O ZINC000834894902 634272072 /nfs/dbraw/zinc/27/20/72/634272072.db2.gz VXGSFEFFSGJHLT-JCKWVBRZSA-N 1 0 298.386 3.358 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCOC(C)(C)C2)c1 ZINC000834908289 634283332 /nfs/dbraw/zinc/28/33/32/634283332.db2.gz DQUFJVYCMDZEQN-STQMWFEESA-N 1 0 293.407 3.257 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCC[C@H]1O)c1ccc(N2CCCCC2)cc1 ZINC000834914311 634286349 /nfs/dbraw/zinc/28/63/49/634286349.db2.gz MDWSYVHKESQMRT-ZTFGCOKTSA-N 1 0 288.435 3.241 20 10 CGCDRO CC[N@H+](C/C=C/c1ccc(N(C)C)cc1)Cc1cnn(C)c1 ZINC000835026762 634325591 /nfs/dbraw/zinc/32/55/91/634325591.db2.gz GUWNTYNHUAEGPU-VOTSOKGWSA-N 1 0 298.434 3.021 20 10 CGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CCOC3(CCC3)C2)cc1 ZINC000835026523 634325631 /nfs/dbraw/zinc/32/56/31/634325631.db2.gz UGPWAPVXJWKWSU-HWKANZROSA-N 1 0 286.419 3.021 20 10 CGCDRO C[C@H](O)C[C@H]1CCC[N@@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC000835028150 634325752 /nfs/dbraw/zinc/32/57/52/634325752.db2.gz KCKWOZKVGMYDMZ-CTQQLDRNSA-N 1 0 288.435 3.001 20 10 CGCDRO CS[C@@H](C)C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835042410 634328645 /nfs/dbraw/zinc/32/86/45/634328645.db2.gz VFIBUMQOOWMHNL-SZZPACECSA-N 1 0 264.438 3.107 20 10 CGCDRO COCCC(C)(C)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835043449 634331299 /nfs/dbraw/zinc/33/12/99/634331299.db2.gz RBMCYFNPQHAZSV-SREVYHEPSA-N 1 0 276.424 3.171 20 10 CGCDRO CO[C@@H]1C[N@H+](C/C=C\c2ccc(N(C)C)cc2)CC[C@H]1C ZINC000835045141 634332114 /nfs/dbraw/zinc/33/21/14/634332114.db2.gz JQEQOYQVTNSJEI-CPHMMYSSSA-N 1 0 288.435 3.123 20 10 CGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@@H]2C2CC2)cc1 ZINC000835053950 634338258 /nfs/dbraw/zinc/33/82/58/634338258.db2.gz GDUNFAMOJMVDIK-REMYHPOOSA-N 1 0 256.393 3.250 20 10 CGCDRO CCc1ncc(C[NH2+]C/C=C/c2ccc(N(C)C)cc2)o1 ZINC000835055289 634339859 /nfs/dbraw/zinc/33/98/59/634339859.db2.gz UJTIZLTWIWWAAK-AATRIKPKSA-N 1 0 285.391 3.106 20 10 CGCDRO COC1(CC[NH2+]C/C=C\c2ccc(N(C)C)cc2)CCC1 ZINC000835056622 634340948 /nfs/dbraw/zinc/34/09/48/634340948.db2.gz WFASDMMMKNZROI-XQRVVYSFSA-N 1 0 288.435 3.315 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H](C(C)C)C2(CO)CCCC2)c1O ZINC000835065248 634342930 /nfs/dbraw/zinc/34/29/30/634342930.db2.gz GMRLXFPFIKAZHC-KRWDZBQOSA-N 1 0 291.435 3.368 20 10 CGCDRO COc1ccc(C[N@H+](C)Cc2ccc(C)cc2O)cc1O ZINC000876631855 634871162 /nfs/dbraw/zinc/87/11/62/634871162.db2.gz ABJMEYQVBHHZSZ-UHFFFAOYSA-N 1 0 287.359 3.047 20 10 CGCDRO Cc1ccc(C[N@@H+]2C[C@@H](C)S[C@@H](C)C2)c(O)c1 ZINC000876642730 634874312 /nfs/dbraw/zinc/87/43/12/634874312.db2.gz KRWIGFANJDKGKV-TXEJJXNPSA-N 1 0 251.395 3.026 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+](C)[C@H](CCO)c1ccccc1 ZINC000876739986 634888922 /nfs/dbraw/zinc/88/89/22/634888922.db2.gz LHGRHSIBOSDJDA-QGZVFWFLSA-N 1 0 285.387 3.256 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000876778985 634898405 /nfs/dbraw/zinc/89/84/05/634898405.db2.gz UCYWIXHNIRILTN-MRXNPFEDSA-N 1 0 289.400 3.336 20 10 CGCDRO C[C@H]1CC[C@H](C)[NH+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876807404 634903601 /nfs/dbraw/zinc/90/36/01/634903601.db2.gz CROCNFOETFMPQH-GJZGRUSLSA-N 1 0 288.435 3.021 20 10 CGCDRO COc1ccc(C[NH2+]Cc2c(C)cccc2O)cc1F ZINC000876909075 634927335 /nfs/dbraw/zinc/92/73/35/634927335.db2.gz UKCDQTBPRVOXEN-UHFFFAOYSA-N 1 0 275.323 3.138 20 10 CGCDRO CCCC[NH+]1CCC([NH2+]Cc2ccc(F)c(F)c2[O-])CC1 ZINC000876977012 634942360 /nfs/dbraw/zinc/94/23/60/634942360.db2.gz VJWQFIPNOODTCF-UHFFFAOYSA-N 1 0 298.377 3.025 20 10 CGCDRO CCCC(C)(C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877009273 634949079 /nfs/dbraw/zinc/94/90/79/634949079.db2.gz KYHIGGAJIHQJGO-UHFFFAOYSA-N 1 0 290.451 3.316 20 10 CGCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(C)cc2O)C12CCC2 ZINC000877044296 634961611 /nfs/dbraw/zinc/96/16/11/634961611.db2.gz XKDANMRYBLDSEB-HZPDHXFCSA-N 1 0 275.392 3.138 20 10 CGCDRO Cc1noc(C)c1C[C@H](C)[NH2+]Cc1ccc(C)cc1O ZINC000877055103 634965595 /nfs/dbraw/zinc/96/55/95/634965595.db2.gz KWTYYXQWHUCJPX-NSHDSACASA-N 1 0 274.364 3.026 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2cccc3c2OCCCO3)c(O)c1 ZINC000877097130 634983243 /nfs/dbraw/zinc/98/32/43/634983243.db2.gz BADJPBNCWDVEKS-UHFFFAOYSA-N 1 0 299.370 3.152 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C1C[C@@H](C)O[C@H](C)C1 ZINC000126487373 635031699 /nfs/dbraw/zinc/03/16/99/635031699.db2.gz RRSRVOSGTMDHGT-ZIAGYGMSSA-N 1 0 276.424 3.107 20 10 CGCDRO COCC[C@H]1CCCC[N@H+](Cc2c(C)cccc2O)C1 ZINC000877398276 635034283 /nfs/dbraw/zinc/03/42/83/635034283.db2.gz ODSQIRQPNBDJJE-OAHLLOKOSA-N 1 0 277.408 3.339 20 10 CGCDRO Cc1ccc(C[N@@H+](C)Cc2c(C)cccc2O)nc1 ZINC000877468401 635049040 /nfs/dbraw/zinc/04/90/40/635049040.db2.gz ICNZDZLZDCZNED-UHFFFAOYSA-N 1 0 256.349 3.036 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccn(CC)n1)c1ccc(N(C)C)cc1 ZINC000840839656 635061412 /nfs/dbraw/zinc/06/14/12/635061412.db2.gz PVGZAYKRUGBZJM-KRWDZBQOSA-N 1 0 286.423 3.210 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](C)CCOC)c1ccc(N(C)C)cc1 ZINC000840837862 635061878 /nfs/dbraw/zinc/06/18/78/635061878.db2.gz XDHLDBPMGSDSPE-YOEHRIQHSA-N 1 0 278.440 3.466 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]CCC1C[C@@H](C)O[C@H](C)C1 ZINC000877504566 635064453 /nfs/dbraw/zinc/06/44/53/635064453.db2.gz HGEKOIHSDYMWTG-ZIAGYGMSSA-N 1 0 277.408 3.384 20 10 CGCDRO Cc1cccc(CCC[NH2+]Cc2c(C)cccc2O)n1 ZINC000877515216 635066912 /nfs/dbraw/zinc/06/69/12/635066912.db2.gz XYJPUCOUULADHL-UHFFFAOYSA-N 1 0 270.376 3.126 20 10 CGCDRO Cc1ccc([C@H](O)[C@@H](C)[NH2+]Cc2ccc(C)cc2O)cc1 ZINC000877516694 635066956 /nfs/dbraw/zinc/06/69/56/635066956.db2.gz DENDXSLLOCSLSB-RDTXWAMCSA-N 1 0 285.387 3.221 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000877529145 635073665 /nfs/dbraw/zinc/07/36/65/635073665.db2.gz UOHDLYFPQQLSNO-CVEARBPZSA-N 1 0 289.419 3.339 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000877540456 635079689 /nfs/dbraw/zinc/07/96/89/635079689.db2.gz ZNTKJOUKTGKENF-HZPDHXFCSA-N 1 0 275.392 3.090 20 10 CGCDRO Cc1cc(O)c(CN2CCC([NH2+]C(C)C)CC2)c(Cl)c1 ZINC000840912176 635081312 /nfs/dbraw/zinc/08/13/12/635081312.db2.gz BWAFKRKXFCZHRN-UHFFFAOYSA-N 1 0 296.842 3.316 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000840935192 635084839 /nfs/dbraw/zinc/08/48/39/635084839.db2.gz HYFJIEJITNZLTD-KZNAEPCWSA-N 1 0 288.435 3.108 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)cc1C)[C@@H]1CCCO1 ZINC000840937789 635086071 /nfs/dbraw/zinc/08/60/71/635086071.db2.gz XYQBWOQKDJIIHH-IRXDYDNUSA-N 1 0 276.424 3.108 20 10 CGCDRO CC[C@@H](CSC)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840938113 635086154 /nfs/dbraw/zinc/08/61/54/635086154.db2.gz ZLMIWJYUZFTMEI-AWEZNQCLSA-N 1 0 266.454 3.292 20 10 CGCDRO CCC[C@]1(CO)CC[N@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000840946183 635089426 /nfs/dbraw/zinc/08/94/26/635089426.db2.gz HUZXNLHOOXYRCX-INIZCTEOSA-N 1 0 297.826 3.339 20 10 CGCDRO CCOCC(C)(C)C[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840946706 635089525 /nfs/dbraw/zinc/08/95/25/635089525.db2.gz MQUZHJFJZPZDBS-UHFFFAOYSA-N 1 0 278.440 3.213 20 10 CGCDRO CO[C@@H]1CC[N@H+](Cc2c(O)cc(C)cc2Cl)C[C@@H]1C ZINC000840949941 635090988 /nfs/dbraw/zinc/09/09/88/635090988.db2.gz DGWOXCISJHQZDJ-XHDPSFHLSA-N 1 0 283.799 3.211 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H]2CCCC[C@H]2F)c1O ZINC000840961604 635094166 /nfs/dbraw/zinc/09/41/66/635094166.db2.gz BWKIDMWSLAFKBZ-CHWSQXEVSA-N 1 0 267.344 3.161 20 10 CGCDRO CC(C)[C@@H]1[N@H+](Cc2cc(F)ccc2O)CC12CCOCC2 ZINC000840968779 635095960 /nfs/dbraw/zinc/09/59/60/635095960.db2.gz CWCRLWYPUYHGSK-INIZCTEOSA-N 1 0 293.382 3.168 20 10 CGCDRO COC1([C@H](C)[NH2+]Cc2cc(Cl)cc(C)c2O)CCC1 ZINC000840969219 635096402 /nfs/dbraw/zinc/09/64/02/635096402.db2.gz CHILRJFRSYAEJL-NSHDSACASA-N 1 0 283.799 3.401 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1ccccn1 ZINC000840976747 635099212 /nfs/dbraw/zinc/09/92/12/635099212.db2.gz QQNFOUCIGRWKRY-HNNXBMFYSA-N 1 0 283.419 3.177 20 10 CGCDRO Cc1ccc(C[NH2+]CC(C)(C)C2(O)CCCC2)c(O)c1 ZINC000877574699 635099289 /nfs/dbraw/zinc/09/92/89/635099289.db2.gz SRRFFVVWCBGNTP-UHFFFAOYSA-N 1 0 277.408 3.122 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)c(O)c1 ZINC000877604130 635107440 /nfs/dbraw/zinc/10/74/40/635107440.db2.gz XFOCHGHYIOMUBB-JKSUJKDBSA-N 1 0 275.392 3.092 20 10 CGCDRO C[C@@H]1CN(Cc2ccccc2O)c2cc(F)ccc2C[NH2+]1 ZINC000841047522 635114104 /nfs/dbraw/zinc/11/41/04/635114104.db2.gz QNGIGRUVIKVGDF-GFCCVEGCSA-N 1 0 286.350 3.030 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCC[C@@H](CCF)C2)c(O)c1 ZINC000877630637 635121165 /nfs/dbraw/zinc/12/11/65/635121165.db2.gz HZLLQRYTFFNLIN-ZDUSSCGKSA-N 1 0 251.345 3.272 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@](O)(c2ccccc2)C1 ZINC000877653286 635133094 /nfs/dbraw/zinc/13/30/94/635133094.db2.gz FSXSNMBAHOIZAY-IBGZPJMESA-N 1 0 297.398 3.184 20 10 CGCDRO Cc1ccc(C[N@@H+]2CC[C@@H](O)C[C@@H]2c2ccccc2)c(O)c1 ZINC000877672719 635140803 /nfs/dbraw/zinc/14/08/03/635140803.db2.gz LLPHKDGDPCIIEE-QZTJIDSGSA-N 1 0 297.398 3.399 20 10 CGCDRO Cc1ccc(C[N@@H+]2CC[C@@H](O)C[C@H]2c2ccccc2)c(O)c1 ZINC000877672718 635141343 /nfs/dbraw/zinc/14/13/43/635141343.db2.gz LLPHKDGDPCIIEE-MSOLQXFVSA-N 1 0 297.398 3.399 20 10 CGCDRO COCC1(C2CC2)C[NH+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000877686587 635145960 /nfs/dbraw/zinc/14/59/60/635145960.db2.gz QVCUBSJLIUVZRI-UHFFFAOYSA-N 1 0 295.810 3.212 20 10 CGCDRO COc1cc(C[C@H](C)[NH2+][C@H](C)c2ccccc2O)ccn1 ZINC000877755455 635184432 /nfs/dbraw/zinc/18/44/32/635184432.db2.gz BMYAYQNQORXMEM-QWHCGFSZSA-N 1 0 286.375 3.078 20 10 CGCDRO Cc1ccc([C@H](O)C[NH2+][C@@H](C)c2ccc(Cl)cc2O)o1 ZINC000841755762 635229617 /nfs/dbraw/zinc/22/96/17/635229617.db2.gz RTTOMMRRIDKQOU-IINYFYTJSA-N 1 0 295.766 3.331 20 10 CGCDRO CCn1ccnc1C[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841758839 635231753 /nfs/dbraw/zinc/23/17/53/635231753.db2.gz VJMJSNAGUIFTTP-SNVBAGLBSA-N 1 0 279.771 3.113 20 10 CGCDRO C[C@H]([NH2+][C@@H]1COCc2ccccc21)c1ccccc1O ZINC000841761643 635233057 /nfs/dbraw/zinc/23/30/57/635233057.db2.gz QEAYHVUXZVCEHE-BLLLJJGKSA-N 1 0 269.344 3.314 20 10 CGCDRO Oc1ccccc1C[NH2+]C[C@H]1CSc2ccccc2O1 ZINC000842727158 635451816 /nfs/dbraw/zinc/45/18/16/635451816.db2.gz UVIFJDGKZAVUJC-ZDUSSCGKSA-N 1 0 287.384 3.035 20 10 CGCDRO COc1ccccc1C1([NH2+]Cc2cc(C)ccc2O)CC1 ZINC000842739213 635456201 /nfs/dbraw/zinc/45/62/01/635456201.db2.gz NPTWGSMDASKREM-UHFFFAOYSA-N 1 0 283.371 3.488 20 10 CGCDRO CC[C@H](C)C[C@@H](CO)[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000842913105 635510492 /nfs/dbraw/zinc/51/04/92/635510492.db2.gz ABOAYMWHBLUNCY-CQDKDKBSSA-N 1 0 279.424 3.457 20 10 CGCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1ccc2c(c1)CCO2 ZINC000843057937 635552938 /nfs/dbraw/zinc/55/29/38/635552938.db2.gz ZXCIVNWTYZOVNY-UHFFFAOYSA-N 1 0 294.398 3.033 20 10 CGCDRO CC(C)O[C@@H]1CC[N@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000843412979 635661190 /nfs/dbraw/zinc/66/11/90/635661190.db2.gz CPDQTFDMGQFIJL-DUMMIQTOSA-N 1 0 288.435 3.265 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](c3cccnc3)C2)c1 ZINC000843419630 635665297 /nfs/dbraw/zinc/66/52/97/635665297.db2.gz MMMQAOSSEAXHMG-OAHLLOKOSA-N 1 0 298.386 3.175 20 10 CGCDRO Cc1cc(C[N@H+]2C[C@@H](C)OCC23CCC3)ccc1N(C)C ZINC000844420448 635895669 /nfs/dbraw/zinc/89/56/69/635895669.db2.gz BHJSRUWZXDDOGL-OAHLLOKOSA-N 1 0 288.435 3.204 20 10 CGCDRO CCN(C)c1ccc(C[NH2+][C@H](C)c2nccnc2C)cc1 ZINC000880108581 635916103 /nfs/dbraw/zinc/91/61/03/635916103.db2.gz BXWYTWFZSIFZMM-CQSZACIVSA-N 1 0 284.407 3.092 20 10 CGCDRO CC[C@H]1CCC[N@H+](Cc2cc(OC)ccc2O)CC1 ZINC000211481144 636091012 /nfs/dbraw/zinc/09/10/12/636091012.db2.gz JAUXYBHJBSXPRS-ZDUSSCGKSA-N 1 0 263.381 3.413 20 10 CGCDRO CC[C@@H]1C[C@H](C[NH2+]Cc2cc(Cl)ccc2O)CCO1 ZINC000846054791 636139038 /nfs/dbraw/zinc/13/90/38/636139038.db2.gz GDLHRBHDWIFRJP-BXUZGUMPSA-N 1 0 283.799 3.340 20 10 CGCDRO CCc1ccc(C[NH2+]Cc2cc(Cl)ccc2O)o1 ZINC000846056945 636140037 /nfs/dbraw/zinc/14/00/37/636140037.db2.gz CIWMOSJFMOFIQQ-UHFFFAOYSA-N 1 0 265.740 3.491 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@H+]1C[C@H](C)OCC12CCC2 ZINC000846066211 636140341 /nfs/dbraw/zinc/14/03/41/636140341.db2.gz AJBLBADROQHEPZ-HNNXBMFYSA-N 1 0 288.435 3.204 20 10 CGCDRO CC(C)n1cc(C[NH2+]Cc2cc(Cl)ccc2O)cn1 ZINC000846058774 636140428 /nfs/dbraw/zinc/14/04/28/636140428.db2.gz TWBDQYRSEIBHIV-UHFFFAOYSA-N 1 0 279.771 3.113 20 10 CGCDRO CCOc1ccc(C[NH2+]C2CC3(CCC3)C2)c(O)c1 ZINC000846106195 636144144 /nfs/dbraw/zinc/14/41/44/636144144.db2.gz CJKBYCOSSYLMEQ-UHFFFAOYSA-N 1 0 261.365 3.213 20 10 CGCDRO FC1(F)[C@H]2C[N@H+](Cc3ccc(N4CCCCC4)cc3)C[C@H]21 ZINC000846108986 636144567 /nfs/dbraw/zinc/14/45/67/636144567.db2.gz CGEUHMMVKLHZLW-IYBDPMFKSA-N 1 0 292.373 3.374 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]CCc2ccccc2)c1O ZINC000846136926 636148714 /nfs/dbraw/zinc/14/87/14/636148714.db2.gz MAROZLRLHGEPNS-ZDUSSCGKSA-N 1 0 271.360 3.294 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]CCCOC2CCCC2)c1O ZINC000846141974 636149404 /nfs/dbraw/zinc/14/94/04/636149404.db2.gz PHTWZSMVKGHEPH-CYBMUJFWSA-N 1 0 293.407 3.401 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@@]2(C)CCCS2)c1O ZINC000846144355 636149441 /nfs/dbraw/zinc/14/94/41/636149441.db2.gz CKPWLYRMEFQLNT-XHDPSFHLSA-N 1 0 281.421 3.337 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]Cc2ccn(C(C)C)n2)c1O ZINC000846146980 636149809 /nfs/dbraw/zinc/14/98/09/636149809.db2.gz TZWBLKVUPOVRLZ-GFCCVEGCSA-N 1 0 289.379 3.029 20 10 CGCDRO CCOCCC1(C[NH2+][C@@H](C)c2cccc(OC)c2O)CC1 ZINC000846157990 636150569 /nfs/dbraw/zinc/15/05/69/636150569.db2.gz QZGTVHABZIZHDN-ZDUSSCGKSA-N 1 0 293.407 3.258 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+][C@H](C)CC(F)(F)F)c1O ZINC000846164201 636151037 /nfs/dbraw/zinc/15/10/37/636151037.db2.gz NCMOBYIJHFLDRH-RKDXNWHRSA-N 1 0 277.286 3.392 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2CCC[C@@H]2C)c1O ZINC000846167076 636151823 /nfs/dbraw/zinc/15/18/23/636151823.db2.gz GMWGEOPHWDHSOJ-AVGNSLFASA-N 1 0 263.381 3.488 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2C[C@@H](OC)C23CCC3)c1O ZINC000846167687 636151863 /nfs/dbraw/zinc/15/18/63/636151863.db2.gz AZXLIVPYJBYTIV-NILFDRSVSA-N 1 0 291.391 3.009 20 10 CGCDRO Cc1cc(C[N@@H+](C)[C@H]2CCOC2)c(O)c(C(C)(C)C)c1 ZINC000106857823 636389253 /nfs/dbraw/zinc/38/92/53/636389253.db2.gz FOXQIKXGJKCKKV-AWEZNQCLSA-N 1 0 277.408 3.219 20 10 CGCDRO CN(CC[C@@H]1CCCC[N@@H+]1C)Cc1c(O)cccc1Cl ZINC000130887000 636527133 /nfs/dbraw/zinc/52/71/33/636527133.db2.gz XNYIEIKPWFXAKJ-ZDUSSCGKSA-N 1 0 296.842 3.352 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H](C2CC2)[C@H]2CCCCO2)cc1C ZINC000848560324 636605589 /nfs/dbraw/zinc/60/55/89/636605589.db2.gz LHSRQURKHIGRGM-MSOLQXFVSA-N 1 0 289.419 3.446 20 10 CGCDRO CC[C@H]([NH2+]CC1(COC)CC1)c1ccc(N(C)C)cc1 ZINC000848561446 636606461 /nfs/dbraw/zinc/60/64/61/636606461.db2.gz WXMGXIWWWFHAHV-INIZCTEOSA-N 1 0 276.424 3.220 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H](C2CC2)[C@@H]2CCCCO2)cc1C ZINC000848560330 636606475 /nfs/dbraw/zinc/60/64/75/636606475.db2.gz LHSRQURKHIGRGM-ZWKOTPCHSA-N 1 0 289.419 3.446 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](C)C(=O)OC(C)(C)C)c1 ZINC000848563849 636607795 /nfs/dbraw/zinc/60/77/95/636607795.db2.gz XPBIRCNGNBSRPE-OLZOCXBDSA-N 1 0 293.407 3.329 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2C[C@H](OC(C)(C)C)C2)c1 ZINC000848565245 636608590 /nfs/dbraw/zinc/60/85/90/636608590.db2.gz GMNYYHDODARYAI-YRGRVCCFSA-N 1 0 293.407 3.398 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCCC[C@@H]2c2ncc[nH]2)c1O ZINC000848885802 636673936 /nfs/dbraw/zinc/67/39/36/636673936.db2.gz SFFNSIBACWPHNF-OAHLLOKOSA-N 1 0 285.391 3.405 20 10 CGCDRO CCc1cccc(C[NH2+]Cc2cccc(NC(C)=O)c2)c1O ZINC000848892580 636678542 /nfs/dbraw/zinc/67/85/42/636678542.db2.gz AZEAYWJIUSSOLV-UHFFFAOYSA-N 1 0 298.386 3.203 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H](C)c2nnc(C(C)C)[nH]2)c1O ZINC000848900760 636681450 /nfs/dbraw/zinc/68/14/50/636681450.db2.gz PZLMVHOOFHDJST-NSHDSACASA-N 1 0 288.395 3.047 20 10 CGCDRO CCc1cccc(C[NH2+]CC2(OC)CCCCC2)c1O ZINC000848904453 636683728 /nfs/dbraw/zinc/68/37/28/636683728.db2.gz UISKACLILLLPQA-UHFFFAOYSA-N 1 0 277.408 3.394 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCS[C@@H](C)CC2)c1O ZINC000848904722 636684011 /nfs/dbraw/zinc/68/40/11/636684011.db2.gz AQRNXVPXPGWCCT-LBPRGKRZSA-N 1 0 265.422 3.282 20 10 CGCDRO CCc1cccc(C[NH2+][C@H]2C[C@H](OC(C)(C)C)C2)c1O ZINC000848926629 636698902 /nfs/dbraw/zinc/69/89/02/636698902.db2.gz UKCSJKCQWYUPLT-SHTZXODSSA-N 1 0 277.408 3.390 20 10 CGCDRO Nc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cc(Cl)ccc1O ZINC000849352717 636817491 /nfs/dbraw/zinc/81/74/91/636817491.db2.gz QJLAHMBXFMSNKW-HNNXBMFYSA-N 1 0 288.778 3.405 20 10 CGCDRO C[N@@H+]1CCC[C@@H]1CCSc1ncc(Cl)s1 ZINC000850000308 636925021 /nfs/dbraw/zinc/92/50/21/636925021.db2.gz PYTDNKIMJDHDHB-MRVPVSSYSA-N 1 0 262.831 3.373 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCOc3ccccc3C2)c1 ZINC000134092744 636998009 /nfs/dbraw/zinc/99/80/09/636998009.db2.gz YCIHMEOJGOMPAG-UHFFFAOYSA-N 1 0 269.344 3.095 20 10 CGCDRO COc1cc(C[NH2+][C@H]2CC23CC3)c(O)c(C(C)(C)C)c1 ZINC000850332572 637019082 /nfs/dbraw/zinc/01/90/82/637019082.db2.gz MGADXQXCUIWXNK-AWEZNQCLSA-N 1 0 275.392 3.340 20 10 CGCDRO CC[C@@H](COCC1CC1)[NH2+]Cc1c(O)cccc1Cl ZINC000850349789 637022747 /nfs/dbraw/zinc/02/27/47/637022747.db2.gz KORWJLZBAJUASP-LBPRGKRZSA-N 1 0 283.799 3.340 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]CC[C@@H](C)CC)c1 ZINC000850355086 637025114 /nfs/dbraw/zinc/02/51/14/637025114.db2.gz DFASIHGYFOLRRJ-LBPRGKRZSA-N 1 0 251.370 3.317 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCCOC(C)(C)C)cc1C ZINC000850370195 637033595 /nfs/dbraw/zinc/03/35/95/637033595.db2.gz NPWVAGILAHDOQK-UHFFFAOYSA-N 1 0 265.397 3.304 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C[C@]2(C)CC2(F)F)cc1F ZINC000850379133 637038576 /nfs/dbraw/zinc/03/85/76/637038576.db2.gz GIIKESXCUQLKLV-ZDUSSCGKSA-N 1 0 272.314 3.027 20 10 CGCDRO C[C@]1(CC[NH2+]Cc2ccc3c(c2)CCO3)CC1(F)F ZINC000850380960 637040438 /nfs/dbraw/zinc/04/04/38/637040438.db2.gz RSLUXPGRNHHMEU-AWEZNQCLSA-N 1 0 267.319 3.147 20 10 CGCDRO CC[C@H]1CC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000134984520 637060914 /nfs/dbraw/zinc/06/09/14/637060914.db2.gz BMAVMNBCBZTCGL-NSHDSACASA-N 1 0 281.783 3.480 20 10 CGCDRO CC[C@@H]1CC[C@H]1[NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850486558 637086434 /nfs/dbraw/zinc/08/64/34/637086434.db2.gz JKZJHMFWICKZCQ-CKEIUWERSA-N 1 0 274.408 3.052 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CCCC34CC4)C2)cc1 ZINC000850486829 637088187 /nfs/dbraw/zinc/08/81/87/637088187.db2.gz KDURQLINVBZWLL-WMLDXEAASA-N 1 0 286.419 3.196 20 10 CGCDRO CC[C@@H]([NH2+]CCO[C@H]1CC1(F)F)c1ccc(N(C)C)cc1 ZINC000850519436 637100302 /nfs/dbraw/zinc/10/03/02/637100302.db2.gz LTWIGAMSXWGTLC-CABCVRRESA-N 1 0 298.377 3.218 20 10 CGCDRO COCc1csc(C[NH2+][C@@H](C)c2ccccc2O)c1 ZINC000850533231 637109641 /nfs/dbraw/zinc/10/96/41/637109641.db2.gz SXJUOAFDZNZLTN-NSHDSACASA-N 1 0 277.389 3.451 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2c(C3CC3)cnn2C)c1 ZINC000850533674 637110421 /nfs/dbraw/zinc/11/04/21/637110421.db2.gz BBCDRQVTFLWGMK-GFCCVEGCSA-N 1 0 285.391 3.162 20 10 CGCDRO C[C@@H](CN1CCC(C)CC1)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000850543489 637115820 /nfs/dbraw/zinc/11/58/20/637115820.db2.gz KMNDNZVVCPKNPV-KBPBESRZSA-N 1 0 294.414 3.302 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](OC)C2CCCC2)c1 ZINC000850561941 637124343 /nfs/dbraw/zinc/12/43/43/637124343.db2.gz LSBXJAPKKOIVKA-PXAZEXFGSA-N 1 0 293.407 3.257 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC2(O)CCC(F)(F)CC2)c1 ZINC000850565392 637126780 /nfs/dbraw/zinc/12/67/80/637126780.db2.gz ANYLLYJHRPHBMC-GFCCVEGCSA-N 1 0 299.361 3.292 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]CCCc1ccco1)CC2 ZINC000850570261 637128112 /nfs/dbraw/zinc/12/81/12/637128112.db2.gz SGWWFJPACQUZIX-AWEZNQCLSA-N 1 0 257.333 3.195 20 10 CGCDRO Cc1cc(O)c(C[NH2+]Cc2cc(C3CC3)no2)cc1C ZINC000886272622 637476422 /nfs/dbraw/zinc/47/64/22/637476422.db2.gz WKXPXFUDOIMITR-UHFFFAOYSA-N 1 0 272.348 3.164 20 10 CGCDRO COc1cccc(C[NH2+][C@H]2CCc3c2cccc3F)c1O ZINC000886362736 637514434 /nfs/dbraw/zinc/51/44/34/637514434.db2.gz KWQWHWZBYUOQPH-HNNXBMFYSA-N 1 0 287.334 3.317 20 10 CGCDRO CCCC[N@H+](CCO[C@@H]1CC1(F)F)Cc1ccccc1O ZINC000852017656 637571744 /nfs/dbraw/zinc/57/17/44/637571744.db2.gz CGQLYORHNZBVDW-OAHLLOKOSA-N 1 0 299.361 3.419 20 10 CGCDRO CCCC[N@@H+](Cc1ccccc1O)C[C@@H]1COC(C)(C)O1 ZINC000852018148 637573946 /nfs/dbraw/zinc/57/39/46/637573946.db2.gz KNIYFXPCPCAYDJ-OAHLLOKOSA-N 1 0 293.407 3.146 20 10 CGCDRO C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1c([O-])cccc1F ZINC000886623817 637614740 /nfs/dbraw/zinc/61/47/40/637614740.db2.gz OXYBWCJFINAYHG-LBPRGKRZSA-N 1 0 280.387 3.056 20 10 CGCDRO C[C@H]1C[C@@H]([NH2+]CC[C@H]2CCCO2)c2c1c(F)ccc2O ZINC000886727387 637674767 /nfs/dbraw/zinc/67/47/67/637674767.db2.gz ZQRQINFIMLENNS-DMDPSCGWSA-N 1 0 279.355 3.238 20 10 CGCDRO CC[C@@H]([NH2+]CCOCCF)c1cc(Cl)ccc1O ZINC000853238392 637789895 /nfs/dbraw/zinc/78/98/95/637789895.db2.gz HXOLEOZHVWOHQW-GFCCVEGCSA-N 1 0 275.751 3.072 20 10 CGCDRO Oc1ccc2ccccc2c1C[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000853584770 637870227 /nfs/dbraw/zinc/87/02/27/637870227.db2.gz BMBKLPTXOVADMU-HUUCEWRRSA-N 1 0 283.371 3.014 20 10 CGCDRO CC[C@@H]([NH2+]CC[C@@H]([NH3+])C(C)C)c1cccc(Cl)c1[O-] ZINC000854230427 638028328 /nfs/dbraw/zinc/02/83/28/638028328.db2.gz PHBULJCTXHNLLW-ZIAGYGMSSA-N 1 0 284.831 3.460 20 10 CGCDRO C[C@@H]([NH2+]CCC(C)(C)[NH3+])c1ccc2ccccc2c1O ZINC000925739571 638591224 /nfs/dbraw/zinc/59/12/24/638591224.db2.gz ZAJFCKGVKQVVRH-GFCCVEGCSA-N 1 0 272.392 3.323 20 10 CGCDRO CN(C)c1cc(F)c(C[NH2+]Cc2ccc(O)cc2)cc1F ZINC000858120290 638636385 /nfs/dbraw/zinc/63/63/85/638636385.db2.gz BCLUXKNCGNFGPG-UHFFFAOYSA-N 1 0 292.329 3.026 20 10 CGCDRO C[C@H]1SCC[C@@H]1[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858184994 638651646 /nfs/dbraw/zinc/65/16/46/638651646.db2.gz QFOGRTKFYJTCIQ-RNCFNFMXSA-N 1 0 286.391 3.014 20 10 CGCDRO C[C@@H]1CCC[C@@H](C[NH2+]Cc2cc(F)c(N(C)C)cc2F)O1 ZINC000858192668 638656024 /nfs/dbraw/zinc/65/60/24/638656024.db2.gz OHPMOYRNIOONAO-YPMHNXCESA-N 1 0 298.377 3.078 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]Cc2cn(C)nc2C(C)(C)C)c1 ZINC000858239912 638661332 /nfs/dbraw/zinc/66/13/32/638661332.db2.gz WJZYPALXDFBFQF-UHFFFAOYSA-N 1 0 287.407 3.021 20 10 CGCDRO CCn1nc(C[NH2+]Cc2cc(C)ccc2O)c2ccccc21 ZINC000858238664 638661544 /nfs/dbraw/zinc/66/15/44/638661544.db2.gz BNQORVNHDVXJTH-UHFFFAOYSA-N 1 0 295.386 3.360 20 10 CGCDRO CCOc1cccc(C[NH2+]C[C@]2(C)C[C@H]3C[C@H]3C2)c1O ZINC000858289829 638672290 /nfs/dbraw/zinc/67/22/90/638672290.db2.gz BDFVWIQRIMFNGV-XOIINTDNSA-N 1 0 275.392 3.317 20 10 CGCDRO CCC[C@@H](C[NH2+][C@H](C)c1cccc(OC)c1O)OCC ZINC000858451273 638722837 /nfs/dbraw/zinc/72/28/37/638722837.db2.gz QHGLAEZODLDIGD-OLZOCXBDSA-N 1 0 281.396 3.257 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cc(F)cc(F)c1[O-] ZINC000858490524 638741032 /nfs/dbraw/zinc/74/10/32/638741032.db2.gz JTMHVVYMYBLHBN-RYUDHWBXSA-N 1 0 298.377 3.053 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc(F)cc1[O-] ZINC000858490698 638741161 /nfs/dbraw/zinc/74/11/61/638741161.db2.gz LZCJEDZTJXUVKE-XJKSGUPXSA-N 1 0 294.414 3.304 20 10 CGCDRO CCOC(=O)C1=CC[C@H]([NH2+][C@H](CC)c2ccccc2O)C1 ZINC000858505648 638747239 /nfs/dbraw/zinc/74/72/39/638747239.db2.gz NYHFSIMPPORYJD-DZGCQCFKSA-N 1 0 289.375 3.085 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc3c2OCC3)c1 ZINC000927090271 638840253 /nfs/dbraw/zinc/84/02/53/638840253.db2.gz JWROANIBHAVUPI-CYBMUJFWSA-N 1 0 283.371 3.486 20 10 CGCDRO COC[C@@H](C[NH2+][C@@H](C)c1cc(C)ccc1O)C(C)C ZINC000927097787 638841593 /nfs/dbraw/zinc/84/15/93/638841593.db2.gz ZRLOHJWDLQKZJN-UONOGXRCSA-N 1 0 265.397 3.270 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]C1([C@H]3CCCCO3)CC1)CC2 ZINC000927161237 638849098 /nfs/dbraw/zinc/84/90/98/638849098.db2.gz WOOBYFPQKVMVQD-DZGCQCFKSA-N 1 0 273.376 3.071 20 10 CGCDRO CCC[N@H+](C/C=C(/C)COC)Cc1ccccc1O ZINC000929753117 638946932 /nfs/dbraw/zinc/94/69/32/638946932.db2.gz LJAAXATVDXCLAM-ZROIWOOFSA-N 1 0 263.381 3.197 20 10 CGCDRO CC(C)(C)c1cc(C[NH2+]CCO)c(O)c(C(C)(C)C)c1 ZINC000116332575 639021785 /nfs/dbraw/zinc/02/17/85/639021785.db2.gz NXFLYRKHOWZZRH-UHFFFAOYSA-N 1 0 279.424 3.069 20 10 CGCDRO C[C@H]([NH2+][C@@H](C)c1ccccc1O)c1ccc(F)nc1 ZINC000931557939 639170683 /nfs/dbraw/zinc/17/06/83/639170683.db2.gz MEHFRHHTNKRHNG-QWRGUYRKSA-N 1 0 260.312 3.338 20 10 CGCDRO C[C@H]1CC(F)(F)CC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000859837232 639235200 /nfs/dbraw/zinc/23/52/00/639235200.db2.gz FJYQYEOZQVLTDQ-LBPRGKRZSA-N 1 0 268.351 3.372 20 10 CGCDRO Cc1cc(C[NH2+][C@H]2COC[C@@H]2C)ccc1N1CCCCC1 ZINC000932491250 639340595 /nfs/dbraw/zinc/34/05/95/639340595.db2.gz JEZYLXHEHVHKAE-RDJZCZTQSA-N 1 0 288.435 3.110 20 10 CGCDRO CC(=O)c1cc(F)cc(C[N@H+]2CCCSC[C@H]2C)c1O ZINC000934301698 639575643 /nfs/dbraw/zinc/57/56/43/639575643.db2.gz WYFMZNLIYWXZAD-SNVBAGLBSA-N 1 0 297.395 3.061 20 10 CGCDRO C[C@H]1SCC[N@H+](Cc2cc3c(cc2O)CCC3)[C@@H]1C ZINC000118381783 639599205 /nfs/dbraw/zinc/59/92/05/639599205.db2.gz JYSJMPTVKGCDED-VXGBXAGGSA-N 1 0 277.433 3.207 20 10 CGCDRO C[C@H]([NH2+]CCn1ccnc1)c1ccc2ccccc2c1O ZINC000041119108 639900339 /nfs/dbraw/zinc/90/03/39/639900339.db2.gz DYANDBCWVIURQG-ZDUSSCGKSA-N 1 0 281.359 3.093 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)C1CCC1)c1ccc(N2CCOCC2)cc1 ZINC000155298842 639929389 /nfs/dbraw/zinc/92/93/89/639929389.db2.gz GRXZATONNGNVPB-LSDHHAIUSA-N 1 0 288.435 3.362 20 10 CGCDRO CC(C)(C)[NH+]1CCC([NH2+]Cc2cccc(Cl)c2[O-])CC1 ZINC000158111952 639997841 /nfs/dbraw/zinc/99/78/41/639997841.db2.gz UBDOJCPRUXQLAN-UHFFFAOYSA-N 1 0 296.842 3.398 20 10 CGCDRO COc1cc(O)c(C[N@H+](C)[C@@H]2CCC[C@H](C)C2)cc1OC ZINC000159781205 640069146 /nfs/dbraw/zinc/06/91/46/640069146.db2.gz GUQNCZFLGHLIDB-GXTWGEPZSA-N 1 0 293.407 3.420 20 10 CGCDRO Oc1cc2c(cc1C[N@@H+]1CCCSCC1)CCCC2 ZINC000159860715 640073893 /nfs/dbraw/zinc/07/38/93/640073893.db2.gz POHFCOWLPDRHSE-UHFFFAOYSA-N 1 0 277.433 3.210 20 10 CGCDRO COc1cc(C[N@H+](C)C(C2CC2)C2CC2)c(O)cc1C ZINC000160064230 640087983 /nfs/dbraw/zinc/08/79/83/640087983.db2.gz QUZIQJIVVQHHHD-UHFFFAOYSA-N 1 0 275.392 3.330 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCC(C)(C)O2)c1 ZINC000187857019 640102736 /nfs/dbraw/zinc/10/27/36/640102736.db2.gz UDBGGKMTFBINQN-CHWSQXEVSA-N 1 0 263.381 3.309 20 10 CGCDRO COc1ccc(O)c(C[NH2+]CC(C)(C)C(C)C)c1 ZINC000188973879 640159849 /nfs/dbraw/zinc/15/98/49/640159849.db2.gz YLJZYJVJONWPEN-UHFFFAOYSA-N 1 0 251.370 3.173 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)[C@@H](C)OC)cc1F ZINC000189123778 640168554 /nfs/dbraw/zinc/16/85/54/640168554.db2.gz CKTCBDJLXCKXAK-QWHCGFSZSA-N 1 0 282.403 3.185 20 10 CGCDRO COc1ccc(N2CC[C@H](C[NH2+]C3CCCCC3)C2)cc1 ZINC000076360677 640193795 /nfs/dbraw/zinc/19/37/95/640193795.db2.gz JGBCVDXBOHNAIW-OAHLLOKOSA-N 1 0 288.435 3.444 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](C)CCSC)cc1C ZINC000076772282 640216326 /nfs/dbraw/zinc/21/63/26/640216326.db2.gz YOXDVHVOAHFYNL-LBPRGKRZSA-N 1 0 253.411 3.235 20 10 CGCDRO Cc1cccc(C[C@H](CO)[NH2+][C@H](C)c2cc(C)ccc2O)c1 ZINC000191605669 640322785 /nfs/dbraw/zinc/32/27/85/640322785.db2.gz UCYTYJDNGUIUBM-NVXWUHKLSA-N 1 0 299.414 3.263 20 10 CGCDRO CCOCc1cc(C[NH2+]Cc2ccoc2)ccc1OC ZINC000195264536 640576546 /nfs/dbraw/zinc/57/65/46/640576546.db2.gz BEYOUXBRGGDXRK-UHFFFAOYSA-N 1 0 275.348 3.115 20 10 CGCDRO Cc1cccc(C[N@H+]2CCN(C)C[C@H]2c2ccccc2)c1O ZINC000245861991 640642138 /nfs/dbraw/zinc/64/21/38/640642138.db2.gz IWLKSVMLXUITNN-SFHVURJKSA-N 1 0 296.414 3.189 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](C)[C@H]2C)c1O ZINC000245948691 640649809 /nfs/dbraw/zinc/64/98/09/640649809.db2.gz SFMRASGONVPLPZ-CHWSQXEVSA-N 1 0 263.381 3.411 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@H](C)c2cnc(C)s2)c1 ZINC000089726586 640655791 /nfs/dbraw/zinc/65/57/91/640655791.db2.gz LLWLZPWZUYKKCQ-SECBINFHSA-N 1 0 278.377 3.017 20 10 CGCDRO C[N@@H+](Cc1ccccc1O)CC1=Cc2ccccc2OC1 ZINC000091956820 640727017 /nfs/dbraw/zinc/72/70/17/640727017.db2.gz PGZPPDYZOQLBDZ-UHFFFAOYSA-N 1 0 281.355 3.300 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H]1CCCC[C@H]1O)c1ccc(N(C)C)cc1 ZINC000248137881 640744139 /nfs/dbraw/zinc/74/41/39/640744139.db2.gz PHVLKTBFRWXIMS-RYQLBKOJSA-N 1 0 290.451 3.344 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)c1cc(F)ccc1O)[C@H]1CCCO1 ZINC000248530453 640766726 /nfs/dbraw/zinc/76/67/26/640766726.db2.gz XINGYLNQCASROP-RIEGTJTDSA-N 1 0 267.344 3.140 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CCOC[C@H]2CC(C)C)c1O ZINC000093340145 640769282 /nfs/dbraw/zinc/76/92/82/640769282.db2.gz SYNBNGCAFUOTDB-OAHLLOKOSA-N 1 0 293.407 3.038 20 10 CGCDRO CC[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)CCS1 ZINC000093502188 640773689 /nfs/dbraw/zinc/77/36/89/640773689.db2.gz GFJYNUVZLFPUJR-GFCCVEGCSA-N 1 0 271.813 3.373 20 10 CGCDRO C[C@@H]([NH2+]CCc1ccccc1)c1cc(F)ccc1O ZINC000094616692 640799114 /nfs/dbraw/zinc/79/91/14/640799114.db2.gz DHUZJYJKHOHFHZ-GFCCVEGCSA-N 1 0 259.324 3.425 20 10 CGCDRO COc1cccc(C[NH2+]Cc2cscc2C)c1O ZINC000094877923 640805098 /nfs/dbraw/zinc/80/50/98/640805098.db2.gz HJWNYNJPTVRBTF-UHFFFAOYSA-N 1 0 263.362 3.061 20 10 CGCDRO COc1ccc(O)c(C[NH2+]Cc2cc(Cl)ccc2O)c1 ZINC000114505859 641000385 /nfs/dbraw/zinc/00/03/85/641000385.db2.gz CMWJBYGYWPHMAL-UHFFFAOYSA-N 1 0 293.750 3.050 20 10 CGCDRO C[C@](O)(C[NH2+]Cc1c(O)cccc1Cl)c1ccccc1 ZINC000114508367 641000506 /nfs/dbraw/zinc/00/05/06/641000506.db2.gz WWFQEZPQAMWRDZ-INIZCTEOSA-N 1 0 291.778 3.043 20 10 CGCDRO Cc1cccc(CC[NH2+]Cc2cc(Cl)cc(C)c2O)n1 ZINC000280599786 641035617 /nfs/dbraw/zinc/03/56/17/641035617.db2.gz NZMYDBKPWUIKPR-UHFFFAOYSA-N 1 0 290.794 3.390 20 10 CGCDRO CC(C)COCCC[NH2+]Cc1cc(Cl)ccc1O ZINC000020147283 641040308 /nfs/dbraw/zinc/04/03/08/641040308.db2.gz HMWGBHPJLRZMDP-UHFFFAOYSA-N 1 0 271.788 3.198 20 10 CGCDRO Cc1cccc(CNc2ncc(C)c(NC(C)C)n2)c1O ZINC001160764486 806300623 /nfs/dbraw/zinc/30/06/23/806300623.db2.gz JVFZRSCPIYFZRU-UHFFFAOYSA-N 1 0 286.379 3.231 20 10 CGCDRO Oc1cc2c(cc1O)C[N@@H+](C1CCC(F)(F)CC1)CCC2 ZINC001254226276 806374022 /nfs/dbraw/zinc/37/40/22/806374022.db2.gz YNMPDZRKBAAPGG-UHFFFAOYSA-N 1 0 297.345 3.424 20 10 CGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2[NH2+][C@@H]1CCCOC1 ZINC001254374628 806388925 /nfs/dbraw/zinc/38/89/25/806388925.db2.gz JSJBSNLBHRAHKL-DYVFJYSZSA-N 1 0 289.419 3.401 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]CCC2CCOCC2)c2c1c(F)ccc2O ZINC001254722091 806487275 /nfs/dbraw/zinc/48/72/75/806487275.db2.gz YUSJXQRQXGLUHJ-BXUZGUMPSA-N 1 0 293.382 3.486 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H]2CCC[C@H](C)C2)c1O ZINC000037254225 798864456 /nfs/dbraw/zinc/86/44/56/798864456.db2.gz URWIHWYJJPRQMU-GXTWGEPZSA-N 1 0 263.381 3.459 20 10 CGCDRO CC(C)COCCC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000037234148 798864484 /nfs/dbraw/zinc/86/44/84/798864484.db2.gz ZTMXKUZUBCPPIC-HNNXBMFYSA-N 1 0 278.440 3.466 20 10 CGCDRO C[C@@H](CN1CCCCC1)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000037319548 798865856 /nfs/dbraw/zinc/86/58/56/798865856.db2.gz ZZBBUPDHLQUNJA-HOTGVXAUSA-N 1 0 289.467 3.278 20 10 CGCDRO COc1ccc(C[NH2+]C[C@H]2Cc3ccccc32)cc1C ZINC000037566138 798869227 /nfs/dbraw/zinc/86/92/27/798869227.db2.gz ZXKDQMNOHCYVQW-MRXNPFEDSA-N 1 0 267.372 3.433 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1Cc2ccccc2O1)c1ccccc1O ZINC000038009482 798883466 /nfs/dbraw/zinc/88/34/66/798883466.db2.gz NNBNOYGIFJXRMY-GXTWGEPZSA-N 1 0 269.344 3.047 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CC1CCOCC1 ZINC000111154275 798983819 /nfs/dbraw/zinc/98/38/19/798983819.db2.gz JFTPIBISSBXZJH-OCCSQVGLSA-N 1 0 275.392 3.265 20 10 CGCDRO CO[C@H]1CC[N@H+](Cc2c(O)cccc2Cl)[C@@H](C)C1 ZINC000305919985 799213930 /nfs/dbraw/zinc/21/39/30/799213930.db2.gz GWLMSQZFKRWJNH-QWRGUYRKSA-N 1 0 269.772 3.045 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCOC2(C)C)cc1 ZINC000328213306 799250350 /nfs/dbraw/zinc/25/03/50/799250350.db2.gz LBKRGGRXWGILIP-INIZCTEOSA-N 1 0 276.424 3.190 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(OC)cc1O)C1CCCC1 ZINC000382785019 799397017 /nfs/dbraw/zinc/39/70/17/799397017.db2.gz JYOALUJPJFSKLV-HNNXBMFYSA-N 1 0 263.381 3.459 20 10 CGCDRO C[C@H](CC(C)(C)C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000385070293 799421983 /nfs/dbraw/zinc/42/19/83/799421983.db2.gz DOQOTUJBCQQKLU-OAHLLOKOSA-N 1 0 290.451 3.438 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](CO)C2CCCCC2)c(O)c1 ZINC000386300528 799434518 /nfs/dbraw/zinc/43/45/18/799434518.db2.gz VJYVIEXYARUCBW-BBRMVZONSA-N 1 0 277.408 3.292 20 10 CGCDRO C[NH+](C)CCCC(C)(C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000387329501 799445423 /nfs/dbraw/zinc/44/54/23/799445423.db2.gz OGPOICAEHPRRKY-UHFFFAOYSA-N 1 0 284.831 3.256 20 10 CGCDRO CC(C)[C@H](CO)C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000394099758 799494254 /nfs/dbraw/zinc/49/42/54/799494254.db2.gz YZKZJXYGMGRGOH-KRWDZBQOSA-N 1 0 290.451 3.031 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CCOC(F)(F)F)cc1 ZINC000398317284 799529785 /nfs/dbraw/zinc/52/97/85/799529785.db2.gz WFYGDSWGWNMZER-UHFFFAOYSA-N 1 0 290.329 3.159 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@H](C)O[C@H]2C)c(O)c1 ZINC000686508408 799734439 /nfs/dbraw/zinc/73/44/39/799734439.db2.gz AGKJANBOXLWVNU-XUXIUFHCSA-N 1 0 263.381 3.165 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCC[C@H](C)O2)c1 ZINC000688879493 799756754 /nfs/dbraw/zinc/75/67/54/799756754.db2.gz PWFMEHHEVUTYGA-OBJOEFQTSA-N 1 0 279.380 3.009 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[C@H](C)O2)c(O)c1 ZINC000688880230 799756759 /nfs/dbraw/zinc/75/67/59/799756759.db2.gz UXKZGGIGAKSGHY-MELADBBJSA-N 1 0 263.381 3.309 20 10 CGCDRO C[C@H]1CCC[C@H](C[NH2+]Cc2c(O)cccc2Cl)O1 ZINC000688900980 799758090 /nfs/dbraw/zinc/75/80/90/799758090.db2.gz QBVMNECRGFRJEQ-WDEREUQCSA-N 1 0 269.772 3.093 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@]2(C)CC2(F)F)c1 ZINC000689250451 799762837 /nfs/dbraw/zinc/76/28/37/799762837.db2.gz HBFAERQIEGMMRK-RNCFNFMXSA-N 1 0 271.307 3.097 20 10 CGCDRO Cc1cnc(CC[NH2+][C@H](C)c2ccccc2O)c(C)c1 ZINC000689484058 799764368 /nfs/dbraw/zinc/76/43/68/799764368.db2.gz HPCWZANGSIKLCC-CQSZACIVSA-N 1 0 270.376 3.297 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]CCOC2CCC2)cc1 ZINC000690690958 799776923 /nfs/dbraw/zinc/77/69/23/799776923.db2.gz WAISILGFZODDHT-UHFFFAOYSA-N 1 0 276.424 3.192 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@@H]2CCCC2(F)F)c1O ZINC000691438670 799783676 /nfs/dbraw/zinc/78/36/76/799783676.db2.gz RCLXZNVGINSNKI-ZDUSSCGKSA-N 1 0 269.335 3.480 20 10 CGCDRO CCc1cccc(C[NH2+]CCCOCC(C)C)c1O ZINC000691438460 799783782 /nfs/dbraw/zinc/78/37/82/799783782.db2.gz OVMLZOVUBCOLPB-UHFFFAOYSA-N 1 0 265.397 3.107 20 10 CGCDRO CC(C)(F)CC[NH2+]Cc1ccc(Br)cc1O ZINC000691454421 799783809 /nfs/dbraw/zinc/78/38/09/799783809.db2.gz LNHSMEYODXCOPP-UHFFFAOYSA-N 1 0 290.176 3.383 20 10 CGCDRO CO[C@@H]1CCC[N@H+](Cc2c(O)cccc2Cl)CC1 ZINC000692058700 799791236 /nfs/dbraw/zinc/79/12/36/799791236.db2.gz BRTRLWAJUWCKEU-LLVKDONJSA-N 1 0 269.772 3.047 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1CCOC1(C)C)c1ccc(N(C)C)cc1 ZINC000693106645 799806811 /nfs/dbraw/zinc/80/68/11/799806811.db2.gz GHKKVTOQNADTAY-DZGCQCFKSA-N 1 0 276.424 3.218 20 10 CGCDRO CCOc1cccc(C[NH2+]C[C@@H]2CCC[C@H]3C[C@H]32)c1O ZINC000694253312 799820985 /nfs/dbraw/zinc/82/09/85/799820985.db2.gz FAUUPHLNWKZEKJ-KCQAQPDRSA-N 1 0 275.392 3.317 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)c1O ZINC000694772917 799824653 /nfs/dbraw/zinc/82/46/53/799824653.db2.gz LWEHHRBQRXJVDI-JJLQDPRZSA-N 1 0 263.381 3.000 20 10 CGCDRO [NH3+]Cc1ccc2c(c1)CCCN2CCc1cccs1 ZINC000700832481 799881211 /nfs/dbraw/zinc/88/12/11/799881211.db2.gz OXOPMCGMXHTTIL-UHFFFAOYSA-N 1 0 272.417 3.202 20 10 CGCDRO CCCO[C@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000701666423 799894077 /nfs/dbraw/zinc/89/40/77/799894077.db2.gz VNLPCEHMBKTQOE-ZDUSSCGKSA-N 1 0 269.772 3.047 20 10 CGCDRO C[C@@H]([NH2+]CC[C@H]1CC1(F)F)c1cc(F)ccc1O ZINC000701935019 799899796 /nfs/dbraw/zinc/89/97/96/799899796.db2.gz LTGRFZTWEKYOKX-BDAKNGLRSA-N 1 0 259.271 3.227 20 10 CGCDRO COc1ccc(C[N@@H+]2CCCC(F)(F)CC2)c(O)c1 ZINC000702767998 799913038 /nfs/dbraw/zinc/91/30/38/799913038.db2.gz LFKWVNRMNUEHIH-UHFFFAOYSA-N 1 0 271.307 3.022 20 10 CGCDRO CN(C)c1ccc(NCc2ccc(F)c(F)c2[O-])cc1 ZINC000703235205 799920147 /nfs/dbraw/zinc/92/01/47/799920147.db2.gz WSGVZSIUCFQGGV-UHFFFAOYSA-N 1 0 278.302 3.349 20 10 CGCDRO Cc1cnc([C@@H](C)[NH2+]Cc2ccc(F)c(F)c2[O-])s1 ZINC000703330711 799922966 /nfs/dbraw/zinc/92/29/66/799922966.db2.gz YLKKLHGRYMEFOD-MRVPVSSYSA-N 1 0 284.331 3.286 20 10 CGCDRO CC(C)(F)CC[NH2+]Cc1c(O)cccc1Br ZINC000706853859 799967750 /nfs/dbraw/zinc/96/77/50/799967750.db2.gz DZQSZXLOYQUIRR-UHFFFAOYSA-N 1 0 290.176 3.383 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccns1 ZINC000715957054 800156302 /nfs/dbraw/zinc/15/63/02/800156302.db2.gz ZVZHJKLZOIPSBK-LLVKDONJSA-N 1 0 261.394 3.060 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]CC[C@@H]2CCC3(CCC3)O2)c1 ZINC000717115134 800193708 /nfs/dbraw/zinc/19/37/08/800193708.db2.gz RUHGQMXSKINZRR-HNNXBMFYSA-N 1 0 275.392 3.282 20 10 CGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]CC1(CO)CCC1 ZINC000717632016 800204701 /nfs/dbraw/zinc/20/47/01/800204701.db2.gz IOMIFEYLIIMZJQ-STQMWFEESA-N 1 0 275.392 3.001 20 10 CGCDRO CO[C@@H]1CCC[C@@H]([NH2+]Cc2cc(C)ccc2O)CC1 ZINC000718355086 800216246 /nfs/dbraw/zinc/21/62/46/800216246.db2.gz WSEHPYTZBLPRRP-HUUCEWRRSA-N 1 0 263.381 3.138 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]Cc2nc3c(s2)CCC3)c(O)c1 ZINC000719571641 800243648 /nfs/dbraw/zinc/24/36/48/800243648.db2.gz UHSOPEHDKYKDPB-NSHDSACASA-N 1 0 288.416 3.497 20 10 CGCDRO CCc1cc(C[NH2+][C@H](CC)c2ccc(N(C)C)cc2)[nH]n1 ZINC000765994700 800383987 /nfs/dbraw/zinc/38/39/87/800383987.db2.gz QUQDVROUIATMGP-QGZVFWFLSA-N 1 0 286.423 3.279 20 10 CGCDRO CC[NH2+]Cc1cccc(NCc2cc(OC)ccc2O)c1 ZINC000841044122 800501389 /nfs/dbraw/zinc/50/13/89/800501389.db2.gz WGTQFGNOXSLFBP-UHFFFAOYSA-N 1 0 286.375 3.122 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2[C@H](C)CCC[C@@H]2C)c(O)c1OC ZINC000892711074 800567993 /nfs/dbraw/zinc/56/79/93/800567993.db2.gz ARCVBVIVKURSLB-JYAVWHMHSA-N 1 0 293.407 3.324 20 10 CGCDRO CCSCC[C@H](C)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894299662 800577225 /nfs/dbraw/zinc/57/72/25/800577225.db2.gz PLLXZMFHCGCCJP-LBPRGKRZSA-N 1 0 283.437 3.331 20 10 CGCDRO CCSCC[C@@H](C)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894299649 800577380 /nfs/dbraw/zinc/57/73/80/800577380.db2.gz PLLXZMFHCGCCJP-GFCCVEGCSA-N 1 0 283.437 3.331 20 10 CGCDRO CC(C)N(CCC[NH3+])c1ccc(O[C@@H]2CCCCO2)cc1 ZINC001164127274 806898165 /nfs/dbraw/zinc/89/81/65/806898165.db2.gz TVGPBMLPEOGRMI-QGZVFWFLSA-N 1 0 292.423 3.156 20 10 CGCDRO C[C@H]([NH2+]Cc1ccnc(F)c1)c1ccc(N(C)C)cc1 ZINC001118805434 802605608 /nfs/dbraw/zinc/60/56/08/802605608.db2.gz ZALZVPQPDIRBNF-LBPRGKRZSA-N 1 0 273.355 3.138 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCCC(F)F ZINC001120065245 802732012 /nfs/dbraw/zinc/73/20/12/802732012.db2.gz NSUBUTHIRCSTCZ-UHFFFAOYSA-N 1 0 256.340 3.196 20 10 CGCDRO Nc1ccc(C[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)cc1 ZINC001120370889 802742310 /nfs/dbraw/zinc/74/23/10/802742310.db2.gz IPFCUYFGVFVGRM-LJQANCHMSA-N 1 0 296.414 3.450 20 10 CGCDRO CC[N@H+](Cc1cnn(C(C)C)c1)Cc1ccccc1O ZINC001137080725 803681302 /nfs/dbraw/zinc/68/13/02/803681302.db2.gz PQBYXTCZMHSPQQ-UHFFFAOYSA-N 1 0 273.380 3.192 20 10 CGCDRO Cc1cc(C[N@@H+]2CCC[C@@H]2CO)c(C)n1-c1ccccc1 ZINC001137856234 803785696 /nfs/dbraw/zinc/78/56/96/803785696.db2.gz VPXJHKKUUXLFAP-GOSISDBHSA-N 1 0 284.403 3.051 20 10 CGCDRO Cc1cc(C[NH+]2CC3(C2)CCOC3)c(C)n1-c1ccccc1 ZINC001137854515 803786024 /nfs/dbraw/zinc/78/60/24/803786024.db2.gz ZYNIKDZQCDJAHK-UHFFFAOYSA-N 1 0 296.414 3.316 20 10 CGCDRO Cc1cc(C[N@@H+]2CC[C@](C)(O)C2)c(C)n1-c1ccccc1 ZINC001137856304 803786406 /nfs/dbraw/zinc/78/64/06/803786406.db2.gz YLAUUQBUAMTDFJ-SFHVURJKSA-N 1 0 284.403 3.051 20 10 CGCDRO COC[C@@H]1CCC[N@@H+]1Cc1c(C)n(C)c2ccccc21 ZINC001138252274 803879012 /nfs/dbraw/zinc/87/90/12/803879012.db2.gz AFXVAXXWNOJZEU-AWEZNQCLSA-N 1 0 272.392 3.098 20 10 CGCDRO Cc1c(C[N@@H+]2CCC3(C2)CCOCC3)c2ccccc2n1C ZINC001138256890 803881282 /nfs/dbraw/zinc/88/12/82/803881282.db2.gz OJJKULVRVVKHEO-UHFFFAOYSA-N 1 0 298.430 3.489 20 10 CGCDRO Cc1c(C[N@@H+]2CCCCC23COC3)c2ccccc2n1C ZINC001138256712 803881529 /nfs/dbraw/zinc/88/15/29/803881529.db2.gz HPBXTSACNMBPGS-UHFFFAOYSA-N 1 0 284.403 3.242 20 10 CGCDRO CC[N@H+](Cc1c(C)n(C)c2ccccc21)CC(C)(C)O ZINC001138258615 803883683 /nfs/dbraw/zinc/88/36/83/803883683.db2.gz WTRSZFWTDFLWCN-UHFFFAOYSA-N 1 0 274.408 3.080 20 10 CGCDRO CC[N@@H+]1CCN(Cc2c3ccccc3n(C)c2C)[C@H](C)C1 ZINC001138260623 803883724 /nfs/dbraw/zinc/88/37/24/803883724.db2.gz NBUCTCNGFCYSEY-CQSZACIVSA-N 1 0 285.435 3.013 20 10 CGCDRO Cc1c(CN2CC([NH+]3CCCCC3)C2)c2ccccc2n1C ZINC001138258544 803885744 /nfs/dbraw/zinc/88/57/44/803885744.db2.gz VLTBIJYNYHGGRX-UHFFFAOYSA-N 1 0 297.446 3.157 20 10 CGCDRO CCC1(O)CC[NH+](Cc2c(C)n(C)c3ccccc32)CC1 ZINC001138258342 803885966 /nfs/dbraw/zinc/88/59/66/803885966.db2.gz QRGMHZMZUFWMHR-UHFFFAOYSA-N 1 0 286.419 3.224 20 10 CGCDRO CC[N@H+](Cc1cc2c3c(c1O)CCCN3CCC2)C(C)C ZINC001138336199 803899028 /nfs/dbraw/zinc/89/90/28/803899028.db2.gz MAVXWOJMOZPWQR-UHFFFAOYSA-N 1 0 288.435 3.321 20 10 CGCDRO CN1CCCc2cc(C[N@@H+]3CCC[C@@H]4C[C@@H]43)ccc21 ZINC001138359227 803902119 /nfs/dbraw/zinc/90/21/19/803902119.db2.gz OAWAWZRRQQMUBI-WBVHZDCISA-N 1 0 256.393 3.053 20 10 CGCDRO CN1CCCc2cc(C[N@@H+]3C[C@@H]4C[C@H]3C[C@H]4F)ccc21 ZINC001138358786 803902830 /nfs/dbraw/zinc/90/28/30/803902830.db2.gz ZRTVPSPNMHCAMY-HRCADAONSA-N 1 0 274.383 3.001 20 10 CGCDRO CCN(CC)c1ccc(CN2C[C@@H](F)C[C@H]2C)c(OC)c1 ZINC001138386160 803912848 /nfs/dbraw/zinc/91/28/48/803912848.db2.gz IDJDHKQFXYFBPR-HIFRSBDPSA-N 1 0 294.414 3.474 20 10 CGCDRO Cc1ccc(C[C@H](C)[NH2+]Cc2ccc(N)cc2)cc1 ZINC001246173198 804188092 /nfs/dbraw/zinc/18/80/92/804188092.db2.gz SWRNBGOZJXNZIS-AWEZNQCLSA-N 1 0 254.377 3.298 20 10 CGCDRO CC(C)[NH+]1CCC(C[N@H+](C)Cc2cc(F)ccc2O)CC1 ZINC001140055839 804362686 /nfs/dbraw/zinc/36/26/86/804362686.db2.gz XJKZIGFLKFWQHZ-UHFFFAOYSA-N 1 0 294.414 3.084 20 10 CGCDRO CCCO[C@H]1CC[N@H+](Cc2c(C)ccc(C)c2O)C1 ZINC001140179457 804396118 /nfs/dbraw/zinc/39/61/18/804396118.db2.gz KQZDBEHFBBFYBB-AWEZNQCLSA-N 1 0 263.381 3.010 20 10 CGCDRO CC[N@H+](Cc1ccncc1)Cc1c(C)ccc(C)c1O ZINC001140180709 804396639 /nfs/dbraw/zinc/39/66/39/804396639.db2.gz OTEMQJKCHMLJKE-UHFFFAOYSA-N 1 0 270.376 3.426 20 10 CGCDRO CCC(CC)[N@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC001140287611 804408680 /nfs/dbraw/zinc/40/86/80/804408680.db2.gz FISGPNDSTIMQEY-UHFFFAOYSA-N 1 0 290.451 3.268 20 10 CGCDRO Oc1cccc(Cl)c1C[N@@H+]1CC[C@H]2CCCO[C@@H]2C1 ZINC001140339413 804420104 /nfs/dbraw/zinc/42/01/04/804420104.db2.gz UUYFZWWXVYNSJS-IAQYHMDHSA-N 1 0 281.783 3.047 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H]3C[C@@H]32)c(O)c1 ZINC001140857410 804535804 /nfs/dbraw/zinc/53/58/04/804535804.db2.gz PZZDPBLIFIDWJJ-CJNGLKHVSA-N 1 0 274.408 3.223 20 10 CGCDRO CN(C)c1ccc(C[NH+]2CCCCC2)c(Cl)c1 ZINC001140921764 804549107 /nfs/dbraw/zinc/54/91/07/804549107.db2.gz OXJFBJKZXPXWQC-UHFFFAOYSA-N 1 0 252.789 3.392 20 10 CGCDRO Cc1ccc(C[N@H+]2CCC(=O)[C@H](C)C23CCCC3)c(O)c1 ZINC001140954710 804558310 /nfs/dbraw/zinc/55/83/10/804558310.db2.gz WXGOSCDFYGNKGS-AWEZNQCLSA-N 1 0 287.403 3.424 20 10 CGCDRO COc1ccccc1[C@H]1CC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141156647 804600624 /nfs/dbraw/zinc/60/06/24/804600624.db2.gz PPYOZVLWRXWSAH-ZDUSSCGKSA-N 1 0 299.370 3.096 20 10 CGCDRO Oc1ccc(O)c(C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)c1 ZINC001141161393 804601613 /nfs/dbraw/zinc/60/16/13/804601613.db2.gz RBGNJCWBQTYHKE-ZDUSSCGKSA-N 1 0 287.334 3.226 20 10 CGCDRO [O-]c1cc(F)c(F)cc1C[N@@H+]1CC2CCC1CC2 ZINC001142524951 804732076 /nfs/dbraw/zinc/73/20/76/804732076.db2.gz QVWYDWQMQNLSRD-UHFFFAOYSA-N 1 0 253.292 3.045 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2cccc(C(C)(C)C)c2O)CCC1=O ZINC001143103943 804801337 /nfs/dbraw/zinc/80/13/37/804801337.db2.gz NIVYGDAOVOQDGG-CYBMUJFWSA-N 1 0 289.419 3.491 20 10 CGCDRO Cn1cc(C[N@H+](C)Cc2cccc(C(C)(C)C)c2O)cn1 ZINC001143104785 804802081 /nfs/dbraw/zinc/80/20/81/804802081.db2.gz ZTRNUGPSZYZRPJ-UHFFFAOYSA-N 1 0 287.407 3.055 20 10 CGCDRO CC(C)(C)c1cccc(C[NH+]2CCC(C)(O)CC2)c1O ZINC001143103426 804802424 /nfs/dbraw/zinc/80/24/24/804802424.db2.gz CVPODDJMCZTXKF-UHFFFAOYSA-N 1 0 277.408 3.037 20 10 CGCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@@H]2c2cccs2)c(O)c1 ZINC001144509033 804997800 /nfs/dbraw/zinc/99/78/00/804997800.db2.gz ILAUVOGYLKHHIC-GFCCVEGCSA-N 1 0 291.372 3.202 20 10 CGCDRO CSCC[N@H+](C)Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001249258137 805121781 /nfs/dbraw/zinc/12/17/81/805121781.db2.gz DIDSZCVUYDYROJ-UHFFFAOYSA-N 1 0 293.432 3.371 20 10 CGCDRO Oc1cc2c(cc1O)C[N@@H+](C1CCCCC1)CCC2 ZINC001257461129 807168381 /nfs/dbraw/zinc/16/83/81/807168381.db2.gz JPEYXRKOYFOGBQ-UHFFFAOYSA-N 1 0 261.365 3.179 20 10 CGCDRO CC(C)OC1CCC([N@@H+]2CCc3cccc(O)c3C2)CC1 ZINC001257884662 807238091 /nfs/dbraw/zinc/23/80/91/807238091.db2.gz ZGPMIPBGNJDAIK-UHFFFAOYSA-N 1 0 289.419 3.487 20 10 CGCDRO CC(C)C[C@@H](C)C[C@H](C)[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC001258065591 807285230 /nfs/dbraw/zinc/28/52/30/807285230.db2.gz MDKHCGIJVVTBEZ-OLZOCXBDSA-N 1 0 293.407 3.331 20 10 CGCDRO COc1ccc2c(c1)C[C@H]([NH2+][C@H](C)c1ccccc1O)C2 ZINC001168241048 807363679 /nfs/dbraw/zinc/36/36/79/807363679.db2.gz FMYAPKRCBAFFMZ-IUODEOHRSA-N 1 0 283.371 3.219 20 10 CGCDRO CSC(C)(C)C[C@@H](C)[NH2+]CCc1ccc(O)c(O)c1 ZINC001258321823 807409927 /nfs/dbraw/zinc/40/99/27/807409927.db2.gz RNQLMLDBNXISOF-LLVKDONJSA-N 1 0 283.437 3.150 20 10 CGCDRO CCCC[C@H](CCC)[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC001258757222 807596181 /nfs/dbraw/zinc/59/61/81/807596181.db2.gz KMEYZVWKDBGKQW-ZDUSSCGKSA-N 1 0 279.380 3.229 20 10 CGCDRO CC[C@@H]1C[C@H]([N@H+](C)Cc2ccc(N(C)C)cc2)CCO1 ZINC001170237214 807799237 /nfs/dbraw/zinc/79/92/37/807799237.db2.gz HRVKBJVAYCSSIQ-IAGOWNOFSA-N 1 0 276.424 3.142 20 10 CGCDRO CCOC[C@@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC001171025966 807963741 /nfs/dbraw/zinc/96/37/41/807963741.db2.gz JXZAZTXKBNXQJB-KRWDZBQOSA-N 1 0 290.451 3.452 20 10 CGCDRO [NH3+]Cc1cccc(NCc2cc3ccccc3cc2O)n1 ZINC001171407572 808049003 /nfs/dbraw/zinc/04/90/03/808049003.db2.gz PPNOUSHNFLHHFV-UHFFFAOYSA-N 1 0 279.343 3.011 20 10 CGCDRO CC[N@H+](Cc1ccccc1O)[C@@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172128344 808186157 /nfs/dbraw/zinc/18/61/57/808186157.db2.gz RGRYZRHNILXGLL-BJWYYQGGSA-N 1 0 288.435 3.229 20 10 CGCDRO Oc1cc2ccccc2cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)O2 ZINC001172224050 808202424 /nfs/dbraw/zinc/20/24/24/808202424.db2.gz KMTKTOLVLKTDCT-ALOPSCKCSA-N 1 0 283.371 3.345 20 10 CGCDRO Oc1ccc(C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)c(O)c1 ZINC001172711123 808414565 /nfs/dbraw/zinc/41/45/65/808414565.db2.gz VUBVGMOAGVXWEH-AWEZNQCLSA-N 1 0 289.762 3.008 20 10 CGCDRO COC(=O)[C@@H]1CCC[C@H]([NH2+][C@H](C)c2ccccc2O)CC1 ZINC001172777886 808437726 /nfs/dbraw/zinc/43/77/26/808437726.db2.gz SFKZJXKCIZSPBP-MCIONIFRSA-N 1 0 291.391 3.165 20 10 CGCDRO CC[C@H]1CC[C@@H]([N@@H+]2CCCc3cc(O)c(O)cc3C2)C1 ZINC001173291372 808591047 /nfs/dbraw/zinc/59/10/47/808591047.db2.gz AVIFSQSZVAHYAW-SWLSCSKDSA-N 1 0 275.392 3.425 20 10 CGCDRO CCSC[C@@H](C)[N@H+](CC)Cc1ccccc1O ZINC001173312256 808606067 /nfs/dbraw/zinc/60/60/67/808606067.db2.gz SBLKHZFNFAFKOK-GFCCVEGCSA-N 1 0 253.411 3.356 20 10 CGCDRO Cc1cc(Nc2cc(OC(F)(F)F)ccc2O)cc(C)[nH+]1 ZINC001176060472 809612497 /nfs/dbraw/zinc/61/24/97/809612497.db2.gz QORYJZGXXFIFJA-UHFFFAOYSA-N 1 0 298.264 3.468 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCS[C@@H](C(C)C)C2)c(O)c1 ZINC001180142982 809978353 /nfs/dbraw/zinc/97/83/53/809978353.db2.gz TVCXLIXDDVABCK-OAHLLOKOSA-N 1 0 265.422 3.274 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH+]2CC(C3CCOCC3)C2)c1 ZINC001181145280 810040739 /nfs/dbraw/zinc/04/07/39/810040739.db2.gz OTZSBLOVPYCEJC-UHFFFAOYSA-N 1 0 289.419 3.374 20 10 CGCDRO C[N@@H+](Cc1ccc(N2CCCC2)cc1)C[C@@H]1CCC=CO1 ZINC001181554455 810058830 /nfs/dbraw/zinc/05/88/30/810058830.db2.gz DRJAFQHGYNPEGU-SFHVURJKSA-N 1 0 286.419 3.411 20 10 CGCDRO CC(C)[C@H](CO)[C@@H]([NH2+]Cc1ccc(Cl)cc1O)C(C)C ZINC001181893757 810081424 /nfs/dbraw/zinc/08/14/24/810081424.db2.gz TYEDFLZSZBGHNX-HOCLYGCPSA-N 1 0 299.842 3.424 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+][C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)c1 ZINC001183311401 810144424 /nfs/dbraw/zinc/14/44/24/810144424.db2.gz CDSWWCPUXYBGEP-LKQDWFRTSA-N 1 0 277.408 3.417 20 10 CGCDRO Oc1cc(Cl)ccc1C[NH+]1CC(Cc2ccoc2)C1 ZINC001184198327 810182059 /nfs/dbraw/zinc/18/20/59/810182059.db2.gz WKJKTAVPMGFWBV-UHFFFAOYSA-N 1 0 277.751 3.313 20 10 CGCDRO CC[NH+](CC)CC[C@H](C)[NH2+]Cc1ccc(Cl)cc1[O-] ZINC001184418377 810198290 /nfs/dbraw/zinc/19/82/90/810198290.db2.gz NLZYWJVVWDMVDH-LBPRGKRZSA-N 1 0 284.831 3.256 20 10 CGCDRO CCCCC[NH+]1CCN(c2ccc(OCC)cc2)CC1 ZINC001201744634 811955732 /nfs/dbraw/zinc/95/57/32/811955732.db2.gz MOUKHPJQFPHVBH-UHFFFAOYSA-N 1 0 276.424 3.398 20 10 CGCDRO CC[C@H](C)[C@H](C[NH2+]Cc1ccc2c(c1)CCCO2)OC ZINC001202496120 812108915 /nfs/dbraw/zinc/10/89/15/812108915.db2.gz VNLUYQDYGXFWOF-GUYCJALGSA-N 1 0 277.408 3.162 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@@H]2C[C@H](O)C23CCC3)cc1C ZINC001203128143 812248048 /nfs/dbraw/zinc/24/80/48/812248048.db2.gz SDAMNSXJMIDBMB-SJORKVTESA-N 1 0 289.419 3.177 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](C2CCC2)[C@H]2CCCO2)cc1C ZINC001203270126 812285778 /nfs/dbraw/zinc/28/57/78/812285778.db2.gz HXAXLZJFHGCMBV-MSOLQXFVSA-N 1 0 289.419 3.441 20 10 CGCDRO CCCCCC[NH+]1CCN(Cc2ccccc2O)CC1 ZINC001203556735 812390693 /nfs/dbraw/zinc/39/06/93/812390693.db2.gz VQWRDLJBDZCAES-UHFFFAOYSA-N 1 0 276.424 3.090 20 10 CGCDRO COc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(C)nc2)c(O)c1 ZINC001203629236 812410645 /nfs/dbraw/zinc/41/06/45/812410645.db2.gz UBRRRBNHUFOVAH-KRWDZBQOSA-N 1 0 298.386 3.441 20 10 CGCDRO COc1ccc(C[NH+]2CCC(c3ccccn3)CC2)c(O)c1 ZINC001203628064 812411479 /nfs/dbraw/zinc/41/14/79/812411479.db2.gz XZEKRMFACJEZRH-UHFFFAOYSA-N 1 0 298.386 3.175 20 10 CGCDRO COc1ccc2c(c1)CC[N@@H+](Cc1ccc(N(C)C)cc1)C2 ZINC001203929384 812494967 /nfs/dbraw/zinc/49/49/67/812494967.db2.gz BJNXIMFHQJHLDI-UHFFFAOYSA-N 1 0 296.414 3.320 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H](CO)CC[C@H]2C)cc1 ZINC001203936829 812497390 /nfs/dbraw/zinc/49/73/90/812497390.db2.gz OXFQOEZUFPLCKX-WBVHZDCISA-N 1 0 290.451 3.126 20 10 CGCDRO CCN(CC)c1ccc(CN2CC[N@H+](CC)C[C@H]2C)cc1 ZINC001203943489 812499303 /nfs/dbraw/zinc/49/93/03/812499303.db2.gz DRTGLOHHOCEZGZ-MRXNPFEDSA-N 1 0 289.467 3.059 20 10 CGCDRO Oc1ccc(C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)c(O)c1 ZINC001204279426 812595016 /nfs/dbraw/zinc/59/50/16/812595016.db2.gz YSEBATNDBDGYMO-CYBMUJFWSA-N 1 0 287.334 3.226 20 10 CGCDRO COC[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001204325634 812614498 /nfs/dbraw/zinc/61/44/98/812614498.db2.gz RVOZAJVZIHYSGE-SFHVURJKSA-N 1 0 288.435 3.288 20 10 CGCDRO CCC[N@H+](Cc1cc(O)c(O)c(OC)c1)[C@@H](C)CC ZINC001204340228 812616791 /nfs/dbraw/zinc/61/67/91/812616791.db2.gz ISEZBFJNUXULJA-NSHDSACASA-N 1 0 267.369 3.117 20 10 CGCDRO CCCN(Cc1cn(C2CC2)cn1)c1ccc(C[NH3+])cc1 ZINC001205656857 813044138 /nfs/dbraw/zinc/04/41/38/813044138.db2.gz VEXAQCKCLLMMCP-UHFFFAOYSA-N 1 0 284.407 3.093 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H](CO)Cc2ccc(C)c(C)c2)c(O)c1 ZINC001206152367 813215459 /nfs/dbraw/zinc/21/54/59/813215459.db2.gz YSYRCXZBKPRQCT-GOSISDBHSA-N 1 0 299.414 3.011 20 10 CGCDRO Cc1cc(CN2CCC[NH2+]C[C@@H]2C)c(C)n1-c1ccccc1 ZINC001206257384 813258497 /nfs/dbraw/zinc/25/84/97/813258497.db2.gz BWSSTSVVCBPNDN-INIZCTEOSA-N 1 0 297.446 3.278 20 10 CGCDRO Cn1cc(CC[NH2+]Cc2cc(F)ccc2O)c2ccccc21 ZINC001206695091 813401441 /nfs/dbraw/zinc/40/14/41/813401441.db2.gz XLUWXPYUHYKNHV-UHFFFAOYSA-N 1 0 298.361 3.355 20 10 CGCDRO Cc1nccc(C[N@H+](C)Cc2ccc(N3CCCC3)cc2)n1 ZINC001207165968 813502216 /nfs/dbraw/zinc/50/22/16/813502216.db2.gz RKEXOJCOWASXNW-UHFFFAOYSA-N 1 0 296.418 3.017 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2C[C@H]2C(C)C)c1O ZINC001207869144 813664671 /nfs/dbraw/zinc/66/46/71/813664671.db2.gz OTWPZLDPBTWTEE-NWDGAFQWSA-N 1 0 269.772 3.188 20 10 CGCDRO Cc1ccc(CCC[N@@H+]2CCc3cccc(O)c3C2)o1 ZINC001207949878 813678388 /nfs/dbraw/zinc/67/83/88/813678388.db2.gz JUIXLKLVIRTKBQ-UHFFFAOYSA-N 1 0 271.360 3.285 20 10 CGCDRO COc1ccc(N2CC[NH+](CCCC(C)C)CC2)cc1 ZINC001208734476 813822611 /nfs/dbraw/zinc/82/26/11/813822611.db2.gz ZKIDHOKSBQVAMB-UHFFFAOYSA-N 1 0 276.424 3.253 20 10 CGCDRO C[C@H]1C[C@@H]1C[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001209421450 814022775 /nfs/dbraw/zinc/02/27/75/814022775.db2.gz PUAVGDOGMFBYAY-GOEBONIOSA-N 1 0 258.409 3.375 20 10 CGCDRO COc1ccc2c(c1)c1c(n2C)CC[N@@H+](C[C@H]2C[C@H]2C)C1 ZINC001209421826 814024253 /nfs/dbraw/zinc/02/42/53/814024253.db2.gz PMTWTESFOWOBJE-CHWSQXEVSA-N 1 0 284.403 3.201 20 10 CGCDRO COCC[N@H+](C)Cc1ccc(-n2c(C)ccc2C)cc1 ZINC001209519528 814072742 /nfs/dbraw/zinc/07/27/42/814072742.db2.gz WYOWQOHNMJCRMI-UHFFFAOYSA-N 1 0 272.392 3.172 20 10 CGCDRO CC[N@H+](Cc1c2ccccc2nn1C)Cc1ccccc1O ZINC001209541023 814078493 /nfs/dbraw/zinc/07/84/93/814078493.db2.gz UOPCOLGHRAYQFD-UHFFFAOYSA-N 1 0 295.386 3.301 20 10 CGCDRO C[N@@H+]1CCc2ccc(Nc3ccc4c(c3)OCCN4)cc2C1 ZINC001209792649 814141285 /nfs/dbraw/zinc/14/12/85/814141285.db2.gz SWOKXICPUAFQJD-UHFFFAOYSA-N 1 0 295.386 3.222 20 10 CGCDRO COc1c[nH+]ccc1Nc1ccc(Cl)c(Cl)c1O ZINC001211263963 814866678 /nfs/dbraw/zinc/86/66/78/814866678.db2.gz PQKIWQBPERCMDY-UHFFFAOYSA-N 1 0 285.130 3.268 20 10 CGCDRO C[C@H](Cc1ccccc1)Oc1ccc(N2CC[NH2+]CC2)cc1 ZINC001218291986 816155010 /nfs/dbraw/zinc/15/50/10/816155010.db2.gz NBWWWNJUVHLCFA-MRXNPFEDSA-N 1 0 296.414 3.106 20 10 CGCDRO CC(C)(C)c1ccc(CN2CCC[C@]3(CC[NH2+]3)C2)c(O)c1 ZINC001222287827 816397534 /nfs/dbraw/zinc/39/75/34/816397534.db2.gz RZKDKUNSHXAVKN-SFHVURJKSA-N 1 0 288.435 3.018 20 10 CGCDRO c1cn(Cc2ccccc2)c2ccnc(C3=CC[NH2+]C3)c12 ZINC001243110829 823250700 /nfs/dbraw/zinc/25/07/00/823250700.db2.gz RMRUYGOUTRKNLK-UHFFFAOYSA-N 1 0 275.355 3.071 20 10 CGCDRO O=C1CN(Cc2c(O)ccc3ccccc32)CCC[C@@H]1F ZINC001231588863 818129461 /nfs/dbraw/zinc/12/94/61/818129461.db2.gz XGWKXQYGEOVGOJ-HNNXBMFYSA-N 1 0 287.334 3.048 20 10 CGCDRO Cc1cccc(C[NH+]2CCC(Oc3cccnc3)CC2)c1O ZINC001231593439 818131387 /nfs/dbraw/zinc/13/13/87/818131387.db2.gz YMHAVNBYUQMNES-UHFFFAOYSA-N 1 0 298.386 3.139 20 10 CGCDRO Cc1cccc(C[N@@H+]2CC[C@H](c3ccncc3)C2)c1O ZINC001231593122 818131476 /nfs/dbraw/zinc/13/14/76/818131476.db2.gz NHOLVJDUOYDCKS-HNNXBMFYSA-N 1 0 268.360 3.085 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCC[C@@](C)(F)CC2)c1O ZINC001231590587 818131743 /nfs/dbraw/zinc/13/17/43/818131743.db2.gz BKXTVOGIXQXLOE-OAHLLOKOSA-N 1 0 251.345 3.415 20 10 CGCDRO CC[N@H+](Cc1ccccc1O)Cc1cccc(C)c1O ZINC001231593712 818132086 /nfs/dbraw/zinc/13/20/86/818132086.db2.gz LKHMXPXEYGGNGP-UHFFFAOYSA-N 1 0 271.360 3.428 20 10 CGCDRO Cc1cccc(C[N@H+](C2CCC2)C2CCOCC2)c1O ZINC001231594582 818133612 /nfs/dbraw/zinc/13/36/12/818133612.db2.gz ILYPHEHSDNLJSY-UHFFFAOYSA-N 1 0 275.392 3.234 20 10 CGCDRO COC(=O)c1cccc(C[N@H+](C)Cc2cccc(C)c2O)c1 ZINC001231595124 818133726 /nfs/dbraw/zinc/13/37/26/818133726.db2.gz STYIXNHBQYZHSH-UHFFFAOYSA-N 1 0 299.370 3.119 20 10 CGCDRO Cc1cc(C)c(C[N@H+]2CC[C@@H](C)[C@H](F)C2)c(O)c1 ZINC001231842067 818186128 /nfs/dbraw/zinc/18/61/28/818186128.db2.gz JGODLZNNAIXBQI-BXUZGUMPSA-N 1 0 251.345 3.189 20 10 CGCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCCC[C@H](F)C1 ZINC001231848638 818187125 /nfs/dbraw/zinc/18/71/25/818187125.db2.gz JDFVGRUKRSTLAH-AWEZNQCLSA-N 1 0 280.387 3.085 20 10 CGCDRO COC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c(C)cc(C)cc1O ZINC001231847958 818187668 /nfs/dbraw/zinc/18/76/68/818187668.db2.gz GJRMPCFSOFRBJB-YIONKMFJSA-N 1 0 275.392 3.151 20 10 CGCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H](C)C[C@@H]1C ZINC001231853788 818188524 /nfs/dbraw/zinc/18/85/24/818188524.db2.gz RITHOMNHNTYPME-KGLIPLIRSA-N 1 0 276.424 3.382 20 10 CGCDRO Cc1cc(C)c(C[N@@H+]2CC[C@@]3(C2)CCCOC3)c(O)c1 ZINC001231850034 818188587 /nfs/dbraw/zinc/18/85/87/818188587.db2.gz ZEMNWCDIPLANHE-QGZVFWFLSA-N 1 0 275.392 3.012 20 10 CGCDRO Cc1cc(C)c(CN2CCC([N@H+](C)C3CC3)CC2)c(O)c1 ZINC001231849937 818188626 /nfs/dbraw/zinc/18/86/26/818188626.db2.gz WZUPXJRMOMHCIH-UHFFFAOYSA-N 1 0 288.435 3.068 20 10 CGCDRO Cc1cc(C)c(C[N@H+]2CC[C@@H](OC(C)C)C2)c(O)c1 ZINC001231849122 818188783 /nfs/dbraw/zinc/18/87/83/818188783.db2.gz NFUKOTXEFNEARY-CQSZACIVSA-N 1 0 263.381 3.008 20 10 CGCDRO COC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)c(C)cc1O ZINC001231868706 818193839 /nfs/dbraw/zinc/19/38/39/818193839.db2.gz WQVROWOMXJHWIV-CYBMUJFWSA-N 1 0 283.799 3.355 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2CC[C@@H](C)[C@](C)(O)CC2)cc1Cl ZINC001231869427 818194780 /nfs/dbraw/zinc/19/47/80/818194780.db2.gz QGFAPPQDSLFXJG-MLGOLLRUSA-N 1 0 297.826 3.337 20 10 CGCDRO Oc1c(C[N@@H+]2CCCCC23COC3)ccc2ccccc21 ZINC001231881937 818199705 /nfs/dbraw/zinc/19/97/05/818199705.db2.gz LKQBSXDJDIHXQK-UHFFFAOYSA-N 1 0 283.371 3.300 20 10 CGCDRO CC[N@H+](Cc1cnc(F)c(C)c1)Cc1ccccc1O ZINC001231926301 818214128 /nfs/dbraw/zinc/21/41/28/818214128.db2.gz RKEBQNRDCRJGKZ-UHFFFAOYSA-N 1 0 274.339 3.257 20 10 CGCDRO C[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)c(O)cc1O ZINC001232259356 818295987 /nfs/dbraw/zinc/29/59/87/818295987.db2.gz WNBOJVXENLBVNG-SECBINFHSA-N 1 0 255.745 3.126 20 10 CGCDRO C[N@H+](Cc1ccsc1)Cc1cc(Cl)c(O)cc1O ZINC001232269139 818300281 /nfs/dbraw/zinc/30/02/81/818300281.db2.gz WWOHYLISIVMXLZ-UHFFFAOYSA-N 1 0 283.780 3.445 20 10 CGCDRO C[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2O)CCC1(F)F ZINC001232834805 818451416 /nfs/dbraw/zinc/45/14/16/818451416.db2.gz NFBOBKSPBFHZIZ-LBPRGKRZSA-N 1 0 298.377 3.325 20 10 CGCDRO [O-]c1ccc(F)c(F)c1C[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC001233335270 818584055 /nfs/dbraw/zinc/58/40/55/818584055.db2.gz OHXXXMLWDBNOGD-GXFFZTMASA-N 1 0 267.319 3.435 20 10 CGCDRO C[N@H+](Cc1ccc(C(F)(F)F)cc1O)[C@@H]1CCCOC1 ZINC001233455473 818624132 /nfs/dbraw/zinc/62/41/32/818624132.db2.gz MFKMNTSIANRZRN-GFCCVEGCSA-N 1 0 289.297 3.022 20 10 CGCDRO CC1(C)C[N@H+](Cc2cc(O)c(O)cc2O)Cc2ccccc21 ZINC001233486458 818625479 /nfs/dbraw/zinc/62/54/79/818625479.db2.gz NRDRNQNXHPVCIR-UHFFFAOYSA-N 1 0 299.370 3.097 20 10 CGCDRO Cc1ccccc1[C@@H]1CCC[N@@H+]1Cc1cc(O)c(O)cc1O ZINC001233483490 818625718 /nfs/dbraw/zinc/62/57/18/818625718.db2.gz AUYLUIMTPWKTTH-HNNXBMFYSA-N 1 0 299.370 3.449 20 10 CGCDRO CC[NH+]1CCN(c2ccc(O[C@@H](C)C3CCC3)cc2)CC1 ZINC001234657872 818908578 /nfs/dbraw/zinc/90/85/78/818908578.db2.gz KRDDEMOKPCSPBA-HNNXBMFYSA-N 1 0 288.435 3.396 20 10 CGCDRO Oc1c(C[N@H+]2CCC[C@@H](O)CC2)cccc1-c1ccccc1 ZINC001234991373 818969630 /nfs/dbraw/zinc/96/96/30/818969630.db2.gz MBRKYBGVPWENDV-QGZVFWFLSA-N 1 0 297.398 3.406 20 10 CGCDRO Oc1c(C[NH+]2CC3(CC(O)C3)C2)cccc1-c1ccccc1 ZINC001234990389 818970830 /nfs/dbraw/zinc/97/08/30/818970830.db2.gz GSARSGGOYYDBHZ-UHFFFAOYSA-N 1 0 295.382 3.016 20 10 CGCDRO Oc1ccc2ccccc2c1CN1CCCC[C@]12CC[NH2+]C2 ZINC001235118567 819009983 /nfs/dbraw/zinc/00/99/83/819009983.db2.gz OPQDOGUEYGKWQT-LJQANCHMSA-N 1 0 296.414 3.263 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(CN2CC[C@H]3C[C@@]3([NH3+])C2)cc1 ZINC001235155806 819017745 /nfs/dbraw/zinc/01/77/45/819017745.db2.gz BLVYGJYOQUHLMY-PKOBYXMFSA-N 1 0 295.430 3.017 20 10 CGCDRO CC(C)(C)c1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)c(O)c1 ZINC001235676826 819136282 /nfs/dbraw/zinc/13/62/82/819136282.db2.gz WCXDUSINOACUJO-GASCZTMLSA-N 1 0 275.392 3.053 20 10 CGCDRO C[NH+](C)C1CCN(Cc2ccc(C(C)(C)C)cc2O)CC1 ZINC001235676995 819136416 /nfs/dbraw/zinc/13/64/16/819136416.db2.gz ZPBZMMTZYYSVFB-UHFFFAOYSA-N 1 0 290.451 3.216 20 10 CGCDRO CC(C)(C)c1ccc(C[N@@H+]2CC[C@@]3(CCOC3)C2)c(O)c1 ZINC001235682243 819140165 /nfs/dbraw/zinc/14/01/65/819140165.db2.gz PVBBUORKUPPKDV-GOSISDBHSA-N 1 0 289.419 3.302 20 10 CGCDRO C[N@H+](Cc1ccc(C(C)(C)C)cc1O)CC1(C)COC1 ZINC001235685561 819142603 /nfs/dbraw/zinc/14/26/03/819142603.db2.gz QIFNSYMHGAPVOP-UHFFFAOYSA-N 1 0 277.408 3.158 20 10 CGCDRO CC(C)C[C@H]1CN(Cc2ccc(C(C)C)cc2O)CC[NH2+]1 ZINC001235882006 819194603 /nfs/dbraw/zinc/19/46/03/819194603.db2.gz OFBFRCKQMARDHU-KRWDZBQOSA-N 1 0 290.451 3.336 20 10 CGCDRO C[C@H]1CC[C@H]([NH3+])CN1Cc1cccc(C(C)(C)C)c1O ZINC001235905205 819214183 /nfs/dbraw/zinc/21/41/83/819214183.db2.gz LEPVDOXYKHIXEV-JSGCOSHPSA-N 1 0 276.424 3.001 20 10 CGCDRO CCCN(Cc1ccc(C(C)C)cc1O)[C@H]1CC[NH2+]C1 ZINC001236323623 819425955 /nfs/dbraw/zinc/42/59/55/819425955.db2.gz HVSTZCGAORCPQF-INIZCTEOSA-N 1 0 276.424 3.090 20 10 CGCDRO C[C@@H]1[C@H]([NH3+])CCCN1Cc1cccc(-c2ccccc2)c1O ZINC001236417633 819463293 /nfs/dbraw/zinc/46/32/93/819463293.db2.gz FDGUYZWUOPVGMX-RDTXWAMCSA-N 1 0 296.414 3.371 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2Cc3cccc(C)c3C2)cc1OC ZINC001236750073 819590716 /nfs/dbraw/zinc/59/07/16/819590716.db2.gz NZGNARBJUGCUNW-UHFFFAOYSA-N 1 0 299.370 3.234 20 10 CGCDRO Oc1cc2ccccc2cc1C[N@@H+]1CC[C@@H]2OCC[C@H]2C1 ZINC001236830445 819611765 /nfs/dbraw/zinc/61/17/65/819611765.db2.gz ALXDCGBSCVIFRY-YJBOKZPZSA-N 1 0 283.371 3.156 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2CC[C@@H](C)[C@@](C)(O)C2)c(O)c1 ZINC001237046930 819651189 /nfs/dbraw/zinc/65/11/89/819651189.db2.gz WWJAVZFNTFPOIP-DYVFJYSZSA-N 1 0 277.408 3.108 20 10 CGCDRO CC(C)c1ccc(C[NH+]2CC(C(F)F)C2)c(O)c1 ZINC001237051366 819652043 /nfs/dbraw/zinc/65/20/43/819652043.db2.gz LEQIYVAJTPLPGT-UHFFFAOYSA-N 1 0 255.308 3.213 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2CC[C@@H]3CCO[C@H]3C2)c(O)c1 ZINC001237052015 819652245 /nfs/dbraw/zinc/65/22/45/819652245.db2.gz QEKXOPFEQPUEMP-DYVFJYSZSA-N 1 0 275.392 3.126 20 10 CGCDRO Oc1cccc(OC(F)(F)F)c1C[NH+]1C2CCC1CC2 ZINC001237123203 819672916 /nfs/dbraw/zinc/67/29/16/819672916.db2.gz NNGXASMAHMJPFU-UHFFFAOYSA-N 1 0 287.281 3.418 20 10 CGCDRO CC[N@H+](Cc1cc(C(F)(F)F)ccc1O)CC(C)(C)O ZINC001237139485 819677253 /nfs/dbraw/zinc/67/72/53/819677253.db2.gz GNAAOJNQUSNJMG-UHFFFAOYSA-N 1 0 291.313 3.004 20 10 CGCDRO Cc1ccc(N2CC[NH+](Cc3c(C)cccc3O)CC2)cc1 ZINC001237482404 819760784 /nfs/dbraw/zinc/76/07/84/819760784.db2.gz LBJPRWCJUGBWCS-UHFFFAOYSA-N 1 0 296.414 3.331 20 10 CGCDRO Cc1ccc(C[N@@H+](C)Cc2c(C)cccc2O)cn1 ZINC001237493114 819764030 /nfs/dbraw/zinc/76/40/30/819764030.db2.gz VLFQHGQKRQMFBY-UHFFFAOYSA-N 1 0 256.349 3.036 20 10 CGCDRO COc1cc(C[N@@H+]2CC[C@@H]3CCC[C@@H]3C2)c(O)c(OC)c1 ZINC001237670231 819803977 /nfs/dbraw/zinc/80/39/77/819803977.db2.gz QYLZWFWGYDIISW-QWHCGFSZSA-N 1 0 291.391 3.031 20 10 CGCDRO COc1cc(C[N@@H+]2CCC[C@H](C)[C@@H](C)C2)c(O)c(OC)c1 ZINC001237675645 819804178 /nfs/dbraw/zinc/80/41/78/819804178.db2.gz ZSQWAPFJPMGDIS-STQMWFEESA-N 1 0 293.407 3.277 20 10 CGCDRO CCC[NH+](CCC)Cc1cc(OC)cc(OC)c1O ZINC001237674723 819804837 /nfs/dbraw/zinc/80/48/37/819804837.db2.gz LUMZQCDQHSENCI-UHFFFAOYSA-N 1 0 267.369 3.031 20 10 CGCDRO Cc1cc(Cl)cc(C[N@H+]2CC[C@H](C)[C@](C)(O)CC2)c1O ZINC001237681346 819805270 /nfs/dbraw/zinc/80/52/70/819805270.db2.gz NIFBZTXSYUDYKZ-BLLLJJGKSA-N 1 0 297.826 3.337 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@H]3CCCO[C@H]3C2)c1O ZINC001237679944 819805301 /nfs/dbraw/zinc/80/53/01/819805301.db2.gz MSZPULHEGAOTGH-DOMZBBRYSA-N 1 0 295.810 3.355 20 10 CGCDRO COc1cc(C[N@@H+]2CC[C@@H]2c2ccccc2)c(O)c(OC)c1 ZINC001237679471 819806214 /nfs/dbraw/zinc/80/62/14/819806214.db2.gz VNPBFMRPPXOZAA-MRXNPFEDSA-N 1 0 299.370 3.356 20 10 CGCDRO [O-]c1c(Cl)cc(F)cc1C[N@@H+]1CCC[C@@H](CF)C1 ZINC001237798702 819844146 /nfs/dbraw/zinc/84/41/46/819844146.db2.gz LSOZJIMALFYHKV-VIFPVBQESA-N 1 0 275.726 3.366 20 10 CGCDRO Cc1cc(F)cc(C[N@@H+]2CC[C@H](F)C(F)(F)CC2)c1O ZINC001238055628 819918529 /nfs/dbraw/zinc/91/85/29/819918529.db2.gz ARSSQMNWAWRDSI-LBPRGKRZSA-N 1 0 291.288 3.409 20 10 CGCDRO CO[C@H]1CCC[C@@H]2C[N@H+](Cc3cc(F)cc(C)c3O)C[C@@H]21 ZINC001238059802 819919978 /nfs/dbraw/zinc/91/99/78/819919978.db2.gz DOYOYRHVJVLNKO-KCXAZCMYSA-N 1 0 293.382 3.087 20 10 CGCDRO CCCOC1CC[NH+](Cc2cc(F)cc(C)c2O)CC1 ZINC001238063546 819921458 /nfs/dbraw/zinc/92/14/58/819921458.db2.gz YJPKQMBVKOIMSV-UHFFFAOYSA-N 1 0 281.371 3.231 20 10 CGCDRO Cc1cc(F)cc(C[NH+]2C[C@@H](C)C[C@H](C)C2)c1O ZINC001238071457 819924360 /nfs/dbraw/zinc/92/43/60/819924360.db2.gz XRNQNLLAYLYEHN-QWRGUYRKSA-N 1 0 251.345 3.318 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+][C@H]1CCC[C@H](F)C1 ZINC001346029711 936835579 /nfs/dbraw/zinc/83/55/79/936835579.db2.gz QWCHESDNEVDSJN-RYUDHWBXSA-N 1 0 257.736 3.416 20 10 CGCDRO COc1ccc(C[NH2+]C[C@H]2CCC[C@H](C)C2)c(O)c1OC ZINC001355240178 937131700 /nfs/dbraw/zinc/13/17/00/937131700.db2.gz YTDOXWQTCYWIES-STQMWFEESA-N 1 0 293.407 3.325 20 10 CGCDRO C[C@@H]1[C@H](C(F)(F)F)CCC[N@@H+]1Cc1ccc(N)cc1 ZINC001356082891 937152437 /nfs/dbraw/zinc/15/24/37/937152437.db2.gz HFULZHFUEARBLN-ZWNOBZJWSA-N 1 0 272.314 3.432 20 10 CGCDRO Cc1cc(C)n(CCC[NH2+]Cc2ccc3c(c2)CCCO3)n1 ZINC000921485689 927621779 /nfs/dbraw/zinc/62/17/79/927621779.db2.gz RFUFQEWSAWNDHV-UHFFFAOYSA-N 1 0 299.418 3.005 20 10 CGCDRO CC[C@H]1C[N@H+](Cc2ccc(Cl)cc2O)CCS1 ZINC001461954729 928769872 /nfs/dbraw/zinc/76/98/72/928769872.db2.gz CHZZKSPKBSAYFM-LBPRGKRZSA-N 1 0 271.813 3.373 20 10 CGCDRO CCCN(CCC)c1ccc(C[NH2+]C[C@@H]2CCOC2)cc1 ZINC001461045197 937561406 /nfs/dbraw/zinc/56/14/06/937561406.db2.gz QJOWSRAYFOPZSO-KRWDZBQOSA-N 1 0 290.451 3.439 20 10 CGCDRO CC(C)C[C@@H](C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC001461369241 937577840 /nfs/dbraw/zinc/57/78/40/937577840.db2.gz ZAFPVDJNCHELOY-GFCCVEGCSA-N 1 0 252.377 3.416 20 10 CGCDRO CC(C)(C)CC[C@H](CO)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001461464155 937582621 /nfs/dbraw/zinc/58/26/21/937582621.db2.gz QWUVPTGHMFDAFH-MRXNPFEDSA-N 1 0 291.435 3.288 20 10 CGCDRO COCCCC[N@H+](C)Cc1cc(C(C)C)ccc1O ZINC001462359473 937634926 /nfs/dbraw/zinc/63/49/26/937634926.db2.gz WNSXPMFSJKQGRF-UHFFFAOYSA-N 1 0 265.397 3.374 20 10 CGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CCN(C)[C@@H](C(C)C)C2)c1 ZINC001462517459 937646456 /nfs/dbraw/zinc/64/64/56/937646456.db2.gz IXRLAKMIWXNYME-QGZVFWFLSA-N 1 0 290.451 3.288 20 10 CGCDRO CCCOc1ccc(C[NH2+]C(C)(C)COC)cc1C ZINC001308241209 933078899 /nfs/dbraw/zinc/07/88/99/933078899.db2.gz CBZHVFWNEPTESV-UHFFFAOYSA-N 1 0 265.397 3.298 20 10 CGCDRO CCCOc1ccc(C[NH2+]CCO[C@H]2CC2(F)F)cc1C ZINC001308458696 933113511 /nfs/dbraw/zinc/11/35/11/933113511.db2.gz UTNDTJVFOVRZOO-HNNXBMFYSA-N 1 0 299.361 3.298 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@H](CO)C2CCC2)cc1C ZINC001308462289 933114624 /nfs/dbraw/zinc/11/46/24/933114624.db2.gz JMRUXKWVDLGQHE-MRXNPFEDSA-N 1 0 277.408 3.034 20 10 CGCDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(C)cc2O)C1(C)C ZINC001308567784 933135368 /nfs/dbraw/zinc/13/53/68/933135368.db2.gz OUZUUQNDYBJGAB-HZPDHXFCSA-N 1 0 277.408 3.336 20 10 CGCDRO COc1ccc(C[NH2+]Cc2cc3ccc(C)cc3[nH]2)c(O)c1 ZINC001308716462 933164503 /nfs/dbraw/zinc/16/45/03/933164503.db2.gz PJVUQFREUNPVIR-UHFFFAOYSA-N 1 0 296.370 3.480 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+][C@H](C)[C@H]2CCOC2)c1 ZINC001308721242 933164789 /nfs/dbraw/zinc/16/47/89/933164789.db2.gz RIBWHEFBVODLGL-OCCSQVGLSA-N 1 0 263.381 3.030 20 10 CGCDRO CC[N@@H+](Cc1cc(F)c(F)cc1[O-])CC1CCC1 ZINC001308716851 933165008 /nfs/dbraw/zinc/16/50/08/933165008.db2.gz ZOXNOYMCETWQQM-UHFFFAOYSA-N 1 0 255.308 3.292 20 10 CGCDRO CC[C@@H]1C[NH+](Cc2c(C)cc(OC)cc2O)C[C@@H](CC)O1 ZINC001308827327 933185681 /nfs/dbraw/zinc/18/56/81/933185681.db2.gz ZMPIDPNLVPURGM-ZIAGYGMSSA-N 1 0 293.407 3.099 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+]CCN2CCC(C)(C)C2)c1 ZINC001308974625 933217234 /nfs/dbraw/zinc/21/72/34/933217234.db2.gz JOKOSTJHEIVYFG-UHFFFAOYSA-N 1 0 290.451 3.337 20 10 CGCDRO CO[C@H](C)[C@H](C)[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC001321714287 934207825 /nfs/dbraw/zinc/20/78/25/934207825.db2.gz WXYHMPMTUSCNNL-XQHKEYJVSA-N 1 0 263.381 3.262 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CCC[C@@H]1CCO ZINC001324228288 934473320 /nfs/dbraw/zinc/47/33/20/934473320.db2.gz QIWUHAXLEVGGPA-KBXIAJHMSA-N 1 0 289.419 3.390 20 10 CGCDRO c1cc(N2CCCC2)ccc1C[NH+]1CC(C2CC2)C1 ZINC001324270132 934479289 /nfs/dbraw/zinc/47/92/89/934479289.db2.gz NACNWNAHUIPPBK-UHFFFAOYSA-N 1 0 256.393 3.129 20 10 CGCDRO CO[C@@]1(C)C[C@H]([N@H+](C)Cc2ccc(N(C)C)cc2)C1(C)C ZINC001473187887 937796297 /nfs/dbraw/zinc/79/62/97/937796297.db2.gz UFAXMPKWVSCCNR-WMZOPIPTSA-N 1 0 290.451 3.388 20 10 CGCDRO COc1ccc(N2CC[NH+](CCC=C(C)C)CC2)cc1F ZINC001473269443 937799720 /nfs/dbraw/zinc/79/97/20/937799720.db2.gz MPLBVVGZDNBPEC-UHFFFAOYSA-N 1 0 292.398 3.313 20 10 CGCDRO CC[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)[C@H]1C ZINC001473403257 937805652 /nfs/dbraw/zinc/80/56/52/937805652.db2.gz TUCYKGKLTLRFMB-DOTOQJQBSA-N 1 0 288.435 3.144 20 10 CGCDRO CC[C@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)CCCO1 ZINC001325127941 934888211 /nfs/dbraw/zinc/88/82/11/934888211.db2.gz HBLFVRHUTGLRMA-SFHVURJKSA-N 1 0 288.435 3.288 20 10 CGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+][C@H]1CCCC[C@@H]1O ZINC001325905197 934937994 /nfs/dbraw/zinc/93/79/94/934937994.db2.gz WHJYISVUZQTADO-XUXIUFHCSA-N 1 0 275.392 3.142 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@@H](C)c1ccnn1C ZINC001329308199 935203445 /nfs/dbraw/zinc/20/34/45/935203445.db2.gz ZJVPXAHTEXFHRX-FRRDWIJNSA-N 1 0 285.391 3.333 20 10 CGCDRO CCCC[N@H+](CCCO)Cc1ccc(N2CCCC2)cc1 ZINC001329825464 935248626 /nfs/dbraw/zinc/24/86/26/935248626.db2.gz QNEQWWDLHFSWGL-UHFFFAOYSA-N 1 0 290.451 3.271 20 10 CGCDRO CC[N@H+](Cc1cc(Cl)c(C)cc1O)[C@@H]1CCCOC1 ZINC001330279983 935282550 /nfs/dbraw/zinc/28/25/50/935282550.db2.gz OSCRLVFGONUVCE-CYBMUJFWSA-N 1 0 283.799 3.355 20 10 CGCDRO COCC(C)(C)CC[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001330637105 935306603 /nfs/dbraw/zinc/30/66/03/935306603.db2.gz FKVMFRANGSKCIB-UHFFFAOYSA-N 1 0 290.451 3.439 20 10 CGCDRO C[C@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)c1ccc[nH]1 ZINC001331693773 935403676 /nfs/dbraw/zinc/40/36/76/935403676.db2.gz XACQTJZAQRVHJO-JTQLQIEISA-N 1 0 279.334 3.210 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@@H](CO)CC1CC1 ZINC001333325867 935525718 /nfs/dbraw/zinc/52/57/18/935525718.db2.gz IDWZCSRTIQUXRS-SNPRPXQTSA-N 1 0 289.419 3.247 20 10 CGCDRO Nc1ccc(C[N@H+](Cc2ccccc2)[C@@H](CO)C2CC2)cc1 ZINC001335286137 936136956 /nfs/dbraw/zinc/13/69/56/936136956.db2.gz TXIVEMXITKDZMI-IBGZPJMESA-N 1 0 296.414 3.042 20 10 CGCDRO CC(C)[C@@H](C[NH2+]Cc1ccc(N)cc1)c1cccnc1 ZINC001336118368 936176849 /nfs/dbraw/zinc/17/68/49/936176849.db2.gz XXIWXGKTLZXAFA-QGZVFWFLSA-N 1 0 269.392 3.193 20 10 CGCDRO Cc1cc(O)c(C[N@H+](C)C[C@H]2CCCC[C@H]2O)cc1Cl ZINC001474390559 937856821 /nfs/dbraw/zinc/85/68/21/937856821.db2.gz HLGNVYQBIGVNBK-IUODEOHRSA-N 1 0 297.826 3.337 20 10 CGCDRO OC[C@@H](C[NH2+]Cc1ccc(Cl)cc1O)CC1CCCC1 ZINC001474478656 937862475 /nfs/dbraw/zinc/86/24/75/937862475.db2.gz GKTCGZOCOUTMRS-CYBMUJFWSA-N 1 0 297.826 3.324 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@H]2CC[C@@H](OC)C2)cc1C ZINC001560441329 938258556 /nfs/dbraw/zinc/25/85/56/938258556.db2.gz YEGQEGCWDYJULT-JKSUJKDBSA-N 1 0 277.408 3.441 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H](C)[C@H]2C)c1O ZINC001560629379 938267038 /nfs/dbraw/zinc/26/70/38/938267038.db2.gz NYUCSORSZXJVAN-CHWSQXEVSA-N 1 0 263.381 3.330 20 10 CGCDRO CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1c(C)cc(OC)cc1O ZINC001560687755 938270307 /nfs/dbraw/zinc/27/03/07/938270307.db2.gz OOCSXNCJWZIZLH-YPMHNXCESA-N 1 0 263.381 3.330 20 10 CGCDRO CC[C@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2O)[C@@H]1C ZINC001560772350 938274998 /nfs/dbraw/zinc/27/49/98/938274998.db2.gz VSWJGAJGXZISEA-NEPJUHHUSA-N 1 0 279.380 3.030 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H](CC(C)C)CN2CCCC2)c(O)c1 ZINC001560845207 938278962 /nfs/dbraw/zinc/27/89/62/938278962.db2.gz IVUPNCQNNMBMRE-KRWDZBQOSA-N 1 0 290.451 3.301 20 10 CGCDRO CCCOc1ccc(CN[C@]23CCC[C@H]2C[NH2+]C3)cc1C ZINC001577586023 962556300 /nfs/dbraw/zinc/55/63/00/962556300.db2.gz KPHXJWYXCPQDIS-WMZOPIPTSA-N 1 0 288.435 3.016 20 10 CGCDRO CCc1cccc(N(C)C(=O)c2ccccc2CC[NH2+]C)c1 ZINC001578267005 962581666 /nfs/dbraw/zinc/58/16/66/962581666.db2.gz YQJOTEZCQYFFKO-UHFFFAOYSA-N 1 0 296.414 3.288 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CNCC[C@H]1c1ccccc1)c1ccccc1O ZINC001579414932 962626487 /nfs/dbraw/zinc/62/64/87/962626487.db2.gz PSDGMQGPWXWZLT-FHLIZLRMSA-N 1 0 296.414 3.189 20 10 CGCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]C[C@H]1CCCO1 ZINC000011782487 344878888 /nfs/dbraw/zinc/87/88/88/344878888.db2.gz SPXQULTYPVSQSB-QGZVFWFLSA-N 1 0 283.371 3.328 20 10 CGCDRO C[C@H](CO)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000151721296 346138559 /nfs/dbraw/zinc/13/85/59/346138559.db2.gz HSKWVTIQZJOMNL-KBPBESRZSA-N 1 0 294.414 3.095 20 10 CGCDRO C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000020090752 136580139 /nfs/dbraw/zinc/58/01/39/136580139.db2.gz LOORXFNTFGHTBC-YJBOKZPZSA-N 1 0 288.435 3.192 20 10 CGCDRO COc1cccc(C[N@@H+]2CCc3sccc3C2)c1O ZINC000124291593 187130643 /nfs/dbraw/zinc/13/06/43/187130643.db2.gz OCUQAUOYZMJSPM-UHFFFAOYSA-N 1 0 275.373 3.021 20 10 CGCDRO C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(F)c(F)c1[O-] ZINC000191188403 299291918 /nfs/dbraw/zinc/29/19/18/299291918.db2.gz YUKVGVUZOMGJSB-LBPRGKRZSA-N 1 0 298.377 3.197 20 10 CGCDRO C[C@H]1C[N@H+](Cc2cccc(Cl)c2[O-])CC(C)(C)O1 ZINC000124571706 370925947 /nfs/dbraw/zinc/92/59/47/370925947.db2.gz CAYNCXUTCYHTAU-JTQLQIEISA-N 1 0 269.772 3.045 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCc2ccccc2)c1 ZINC000019919917 368784990 /nfs/dbraw/zinc/78/49/90/368784990.db2.gz JKXAIYUHYBHKCN-ZDUSSCGKSA-N 1 0 271.360 3.294 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)cc1C ZINC000129152434 370976188 /nfs/dbraw/zinc/97/61/88/370976188.db2.gz FPLKFNCBIYHWJN-RHSMWYFYSA-N 1 0 275.392 3.010 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCCC[C@@H]2c2ncc[nH]2)cc1C ZINC000092728988 370100611 /nfs/dbraw/zinc/10/06/11/370100611.db2.gz FCLXZRJVAVCWHV-OAHLLOKOSA-N 1 0 285.391 3.459 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]C(C)(C)c2nccs2)c1 ZINC000116380167 370558688 /nfs/dbraw/zinc/55/86/88/370558688.db2.gz JDIQJEDMGDTWMC-UHFFFAOYSA-N 1 0 262.378 3.182 20 10 CGCDRO CS[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2O)C1 ZINC000117395293 370590241 /nfs/dbraw/zinc/59/02/41/370590241.db2.gz GBKZHNPHNFKRKL-CHWSQXEVSA-N 1 0 251.395 3.156 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CCC[C@H]2OCC[C@@H]21)c1ccc(N(C)C)cc1 ZINC000124895484 296163711 /nfs/dbraw/zinc/16/37/11/296163711.db2.gz LTRNEOTWDMDEAY-NKGKWGDASA-N 1 0 288.435 3.361 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)[C@@H]2CCOC2)cc1 ZINC000135209209 371401620 /nfs/dbraw/zinc/40/16/20/371401620.db2.gz ZXVVVPAMLGTYNJ-GDBMZVCRSA-N 1 0 276.424 3.047 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCOC[C@@H]2C)c(O)c1 ZINC000287457522 371659632 /nfs/dbraw/zinc/65/96/32/371659632.db2.gz LSAODDLMRQKDSB-IHRRRGAJSA-N 1 0 263.381 3.024 20 10 CGCDRO CCOc1cccc(C[NH2+]C[C@@H]2CCCSC2)c1O ZINC000288387683 371735990 /nfs/dbraw/zinc/73/59/90/371735990.db2.gz GQWYBCULKZYMLK-LBPRGKRZSA-N 1 0 281.421 3.024 20 10 CGCDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cc1c(O)cccc1Cl ZINC000289143789 371750586 /nfs/dbraw/zinc/75/05/86/371750586.db2.gz ANBLEUAOJYVEIG-SWLSCSKDSA-N 1 0 294.826 3.104 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCC=C(c3ccncc3)C2)c1 ZINC000289188885 371753256 /nfs/dbraw/zinc/75/32/56/371753256.db2.gz ATEFJIZNWIQXHX-UHFFFAOYSA-N 1 0 280.371 3.385 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCOC(C)(C)C2)c1 ZINC000159954606 372197533 /nfs/dbraw/zinc/19/75/33/372197533.db2.gz GRGPZDXTMGZMSR-CHWSQXEVSA-N 1 0 263.381 3.309 20 10 CGCDRO CO[C@H](C[NH2+][C@@H](C)c1cc(Cl)ccc1O)C1CC1 ZINC000293567904 372412862 /nfs/dbraw/zinc/41/28/62/372412862.db2.gz BBASRKJNJBJFFP-LKFCYVNXSA-N 1 0 269.772 3.121 20 10 CGCDRO Cc1cc(O)c(C[N@@H+](C)[C@H]2CCCc3c2cnn3C)cc1C ZINC000162721512 372414369 /nfs/dbraw/zinc/41/43/69/372414369.db2.gz NGFBPWGOBILVDR-INIZCTEOSA-N 1 0 299.418 3.252 20 10 CGCDRO CCC[C@H](CCO)C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000293653674 372438204 /nfs/dbraw/zinc/43/82/04/372438204.db2.gz OXSKWHCTLAKHNR-SNVBAGLBSA-N 1 0 289.778 3.073 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2occc2C)c1 ZINC000293674892 372446685 /nfs/dbraw/zinc/44/66/85/372446685.db2.gz MWZNLZXHXBPMOA-LLVKDONJSA-N 1 0 261.321 3.153 20 10 CGCDRO Cc1cc(C[N@H+](C)CCc2ccccn2)ccc1N(C)C ZINC000293701378 372453861 /nfs/dbraw/zinc/45/38/61/372453861.db2.gz CUEOMSNOUNIEGJ-UHFFFAOYSA-N 1 0 283.419 3.131 20 10 CGCDRO CCOC[C@@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000293794993 372484690 /nfs/dbraw/zinc/48/46/90/372484690.db2.gz BOCKPPIHNIOFOY-SNVBAGLBSA-N 1 0 287.762 3.043 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCC2(OC)CCC2)c1 ZINC000293879303 372511357 /nfs/dbraw/zinc/51/13/57/372511357.db2.gz UBGZEEWTPVZXEA-LBPRGKRZSA-N 1 0 279.380 3.011 20 10 CGCDRO C[C@@H]([NH2+]CC1CCSCC1)c1cc(F)ccc1O ZINC000168774708 372619215 /nfs/dbraw/zinc/61/92/15/372619215.db2.gz YGWAHGRQAMXHLJ-SNVBAGLBSA-N 1 0 269.385 3.325 20 10 CGCDRO CC(C)[C@H](O)C[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000168776794 372619585 /nfs/dbraw/zinc/61/95/85/372619585.db2.gz XOTFUBSYEUTPHB-BLLLJJGKSA-N 1 0 273.376 3.213 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCCSC2)c1O ZINC000169091049 372625435 /nfs/dbraw/zinc/62/54/35/372625435.db2.gz VJOPKZMZKGDWTA-LLVKDONJSA-N 1 0 287.812 3.039 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)c1ccc(C)c(C)c1O)C(C)(C)O ZINC000294857911 372674537 /nfs/dbraw/zinc/67/45/37/372674537.db2.gz BTZSPINPSXLJNI-JSGCOSHPSA-N 1 0 265.397 3.209 20 10 CGCDRO COc1ccccc1CC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000295891889 372950284 /nfs/dbraw/zinc/95/02/84/372950284.db2.gz IDYRRQKXNABGFU-HNNXBMFYSA-N 1 0 283.371 3.220 20 10 CGCDRO C[C@H](O)c1ccc(C[NH2+][C@H]2CCc3cccc(O)c32)cc1 ZINC000295954801 372973529 /nfs/dbraw/zinc/97/35/29/372973529.db2.gz LRTCFQPHOBXHIP-LRDDRELGSA-N 1 0 283.371 3.223 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+][C@H]1CCCC13CCOCC3)CC2 ZINC000296299467 373083586 /nfs/dbraw/zinc/08/35/86/373083586.db2.gz DNQJLOIBGWAANO-HOCLYGCPSA-N 1 0 287.403 3.318 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)CC(C)(C)O)c1ccc(C)cc1O ZINC000296345086 373097771 /nfs/dbraw/zinc/09/77/71/373097771.db2.gz HZTBPNNHNRJQMZ-OCCSQVGLSA-N 1 0 265.397 3.291 20 10 CGCDRO CC[C@H]([NH2+][C@@H](CC)[C@H](O)C(F)F)c1ccc(C)cc1O ZINC000296484096 373150935 /nfs/dbraw/zinc/15/09/35/373150935.db2.gz OJVFJDCUOUCDKF-OBJOEFQTSA-N 1 0 287.350 3.146 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)CC(C)(C)O)c(O)c1C ZINC000296587662 373187053 /nfs/dbraw/zinc/18/70/53/373187053.db2.gz UTYCJHNASHYXTD-AAEUAGOBSA-N 1 0 265.397 3.209 20 10 CGCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@H](C)C3)cc2)CC1 ZINC000296988019 373254433 /nfs/dbraw/zinc/25/44/33/373254433.db2.gz FELXGAWMQRKHMB-HNNXBMFYSA-N 1 0 288.435 3.144 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@@H]1COc3ccccc31)CC2 ZINC000297319120 373265236 /nfs/dbraw/zinc/26/52/36/373265236.db2.gz NFJKYUHFYCSUMF-HIFRSBDPSA-N 1 0 281.355 3.145 20 10 CGCDRO COc1ccc(O)c(C[N@H+](C)Cc2ccc(Cl)nc2)c1 ZINC000179664208 373900636 /nfs/dbraw/zinc/90/06/36/373900636.db2.gz IGWFEYFFXWHDMK-UHFFFAOYSA-N 1 0 292.766 3.081 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@H](C)c2ccccc2O)cn1 ZINC000183503647 374419833 /nfs/dbraw/zinc/41/98/33/374419833.db2.gz PSUGYHNELWQPJZ-CYBMUJFWSA-N 1 0 286.375 3.427 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@@H](C)c2ccccc2O)cn1 ZINC000183503628 374419914 /nfs/dbraw/zinc/41/99/14/374419914.db2.gz PSUGYHNELWQPJZ-ZDUSSCGKSA-N 1 0 286.375 3.427 20 10 CGCDRO COc1ccc(C[N@H+](C)Cc2cc(OC)ccc2O)cc1 ZINC000183508972 374423085 /nfs/dbraw/zinc/42/30/85/374423085.db2.gz AQALTTMYEGPCMM-UHFFFAOYSA-N 1 0 287.359 3.041 20 10 CGCDRO C[C@@H]([NH2+]C[C@](C)(O)c1ccc(F)cc1)c1ccccc1O ZINC000183631099 374436549 /nfs/dbraw/zinc/43/65/49/374436549.db2.gz YADDYDQCGGEVQF-PXAZEXFGSA-N 1 0 289.350 3.090 20 10 CGCDRO C[C@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1ccccc1O ZINC000183667007 374441036 /nfs/dbraw/zinc/44/10/36/374441036.db2.gz YTGWFQBUDPOWEP-CSFVBSKPSA-N 1 0 287.403 3.391 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1cc(Cl)ccc1O ZINC000185735890 374726929 /nfs/dbraw/zinc/72/69/29/374726929.db2.gz TYJNAWBAKQIIEK-WZRBSPASSA-N 1 0 283.799 3.247 20 10 CGCDRO CCOC1CC(CC[NH2+]Cc2cc(C)c(C)cc2O)C1 ZINC000188782109 375268323 /nfs/dbraw/zinc/26/83/23/375268323.db2.gz ZNURBTBASODCPV-UHFFFAOYSA-N 1 0 277.408 3.304 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]C[C@@H]1CCN1C1CCCCC1 ZINC000529639581 375931977 /nfs/dbraw/zinc/93/19/77/375931977.db2.gz IYOHWMQWZZOPLN-INIZCTEOSA-N 1 0 292.398 3.028 20 10 CGCDRO Cc1ccc([C@H](O)C[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000268808156 378116735 /nfs/dbraw/zinc/11/67/35/378116735.db2.gz SNOSSHMMRHVQBM-DNVCBOLYSA-N 1 0 298.430 3.445 20 10 CGCDRO CCN(CC)c1ccc(C[NH+]2CCC(OC)CC2)cc1F ZINC000271034451 378434173 /nfs/dbraw/zinc/43/41/73/378434173.db2.gz IRSWGHWWGRXRLF-UHFFFAOYSA-N 1 0 294.414 3.283 20 10 CGCDRO Cc1cc(C[NH2+][C@@H](C)c2ccccn2)ccc1N(C)C ZINC000271471316 378495524 /nfs/dbraw/zinc/49/55/24/378495524.db2.gz IWFJHKIUIKJTCX-AWEZNQCLSA-N 1 0 269.392 3.307 20 10 CGCDRO COCCCC[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000273397740 378743284 /nfs/dbraw/zinc/74/32/84/378743284.db2.gz MIXYXXMERAEXEJ-ZDUSSCGKSA-N 1 0 251.370 3.086 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)CCc2ccccc2)c1 ZINC000273392506 378744100 /nfs/dbraw/zinc/74/41/00/378744100.db2.gz DTFWPPSMUQQUOZ-WBVHZDCISA-N 1 0 299.414 3.345 20 10 CGCDRO C[C@H]([NH2+][C@H](CCO)c1ccccc1)c1ccccc1O ZINC000272793832 378705512 /nfs/dbraw/zinc/70/55/12/378705512.db2.gz ADTZKFMRIABSCU-XJKSGUPXSA-N 1 0 271.360 3.167 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCOCC2CC2)c(O)c1C ZINC000273598728 378755436 /nfs/dbraw/zinc/75/54/36/378755436.db2.gz RMMSUZPZOFSQJQ-ZDUSSCGKSA-N 1 0 263.381 3.086 20 10 CGCDRO C[C@H]([NH2+][C@@H](C)[C@H]1CCOC1)c1cc(Cl)ccc1O ZINC000273622754 378758246 /nfs/dbraw/zinc/75/82/46/378758246.db2.gz ZOHQEGAJNRFTMR-DCAQKATOSA-N 1 0 269.772 3.121 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H]1CCO[C@@H](C)C1)c1ccccc1O ZINC000274901784 378916438 /nfs/dbraw/zinc/91/64/38/378916438.db2.gz LKKALBTUWNJEOC-GUTXKFCHSA-N 1 0 263.381 3.248 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000375304161 379489457 /nfs/dbraw/zinc/48/94/57/379489457.db2.gz RJMFZUHOASSDIQ-OAHLLOKOSA-N 1 0 281.783 3.048 20 10 CGCDRO CCSCCC[NH2+][C@H](C)c1ccc(C)cc1O ZINC000282415568 379914721 /nfs/dbraw/zinc/91/47/21/379914721.db2.gz CMUNUYRNNMKXMH-GFCCVEGCSA-N 1 0 253.411 3.494 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(C)CC2)cc1)c1cn[nH]c1 ZINC000283897672 380102539 /nfs/dbraw/zinc/10/25/39/380102539.db2.gz CVKKDNXYSAPLQR-OAHLLOKOSA-N 1 0 298.434 3.497 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2CCSC2)c(O)c1 ZINC000285402700 380148339 /nfs/dbraw/zinc/14/83/39/380148339.db2.gz XHAQRRGFUIHBSJ-QWHCGFSZSA-N 1 0 265.422 3.413 20 10 CGCDRO CO[C@H](C[NH2+][C@@H](C)c1c(C)cc(C)cc1O)C(C)C ZINC000284177899 380134696 /nfs/dbraw/zinc/13/46/96/380134696.db2.gz QVMGMGHRDUTYSU-DZGCQCFKSA-N 1 0 265.397 3.331 20 10 CGCDRO CC[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1ccc(F)cc1[O-] ZINC000286248559 380183402 /nfs/dbraw/zinc/18/34/02/380183402.db2.gz UIGVSACAFJODTK-MRXNPFEDSA-N 1 0 294.414 3.445 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+][C@@H]1CCOC3(CCC3)C1)CC2 ZINC000296676023 285396845 /nfs/dbraw/zinc/39/68/45/285396845.db2.gz GEVWTZKZTKWQOM-KGLIPLIRSA-N 1 0 273.376 3.071 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)cc1C ZINC000121211425 392411156 /nfs/dbraw/zinc/41/11/56/392411156.db2.gz JNUGQZMJLGZTGU-CQSZACIVSA-N 1 0 285.391 3.112 20 10 CGCDRO CN1CCCc2cc(C[NH2+]Cc3ccccc3O)ccc21 ZINC000134231534 392466367 /nfs/dbraw/zinc/46/63/67/392466367.db2.gz COFRLLJFSHXJPG-UHFFFAOYSA-N 1 0 282.387 3.064 20 10 CGCDRO Cc1ccc(O)c(C[N@H+]2CCCCC[C@@H]2C[C@H](C)O)c1 ZINC000289945234 392438270 /nfs/dbraw/zinc/43/82/70/392438270.db2.gz YMRVTEIYQWWVKT-GOEBONIOSA-N 1 0 277.408 3.216 20 10 CGCDRO CCC[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000132050911 392458769 /nfs/dbraw/zinc/45/87/69/392458769.db2.gz VHZIYSPAKRAMPB-QMMMGPOBSA-N 1 0 258.159 3.215 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](CO)CC2)cc1 ZINC000120193100 392400270 /nfs/dbraw/zinc/40/02/70/392400270.db2.gz VIKNDGFZHFKUPC-ZOBUZTSGSA-N 1 0 290.451 3.344 20 10 CGCDRO C[C@@H]([NH2+]CCCCO)c1ccc(N2CCCCC2)cc1 ZINC000194214287 392907422 /nfs/dbraw/zinc/90/74/22/392907422.db2.gz VISCGNVRUCZIGA-OAHLLOKOSA-N 1 0 276.424 3.100 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]CC2(SC)CCC2)c1 ZINC000193647423 392882476 /nfs/dbraw/zinc/88/24/76/392882476.db2.gz HMXSVUJSDGTDON-UHFFFAOYSA-N 1 0 281.421 3.166 20 10 CGCDRO COc1cccc(C[N@H+](CC2CCC2)C(C)C)c1O ZINC000195077684 392956198 /nfs/dbraw/zinc/95/61/98/392956198.db2.gz DJCSMRXSPRDNRI-UHFFFAOYSA-N 1 0 263.381 3.411 20 10 CGCDRO CC[C@@H]([NH2+]Cc1c(C)c2ccccc2n1C)c1cnn(C)c1 ZINC000358999369 393532983 /nfs/dbraw/zinc/53/29/83/393532983.db2.gz HAYHTIATIZIYSX-MRXNPFEDSA-N 1 0 296.418 3.461 20 10 CGCDRO COc1ccc2[nH]cc(CC[NH2+]Cc3ccc(N)cc3)c2c1 ZINC000013737395 170584982 /nfs/dbraw/zinc/58/49/82/170584982.db2.gz IFVUNWPYBPIEIO-UHFFFAOYSA-N 1 0 295.386 3.091 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2ccncc2)c1 ZINC000020121366 171000630 /nfs/dbraw/zinc/00/06/30/171000630.db2.gz WCKVABYRDUPXOV-NEPJUHHUSA-N 1 0 272.348 3.208 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H](c1ccco1)N(C)C)c1ccccc1O ZINC000020122322 171002890 /nfs/dbraw/zinc/00/28/90/171002890.db2.gz PKOKBKGICJFULS-HUUCEWRRSA-N 1 0 288.391 3.329 20 10 CGCDRO C[C@@H]([NH2+]CCN1CCCC1)c1ccc2ccccc2c1O ZINC000020126828 171011122 /nfs/dbraw/zinc/01/11/22/171011122.db2.gz YILPJZHVUHRLCQ-CQSZACIVSA-N 1 0 284.403 3.292 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C(C2CC2)C2CC2)c1 ZINC000020131094 171020104 /nfs/dbraw/zinc/02/01/04/171020104.db2.gz CKATWVQFZIHYBR-SNVBAGLBSA-N 1 0 261.365 3.240 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cccc(O)c1 ZINC000037363557 260094655 /nfs/dbraw/zinc/09/46/55/260094655.db2.gz HUGWKMWZAXUSHM-LBPRGKRZSA-N 1 0 269.344 3.178 20 10 CGCDRO CCCOc1ccc(C[N@@H+]2CCC[C@H](COC)C2)c(O)c1 ZINC000093337931 260275280 /nfs/dbraw/zinc/27/52/80/260275280.db2.gz FTXWEIMZILYLOZ-AWEZNQCLSA-N 1 0 293.407 3.039 20 10 CGCDRO COCCC[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000151690825 261054259 /nfs/dbraw/zinc/05/42/59/261054259.db2.gz ZRSFEVYCFBFLKX-OAHLLOKOSA-N 1 0 276.424 3.364 20 10 CGCDRO CC[C@@H]([NH2+]C[C@](C)(O)c1cccs1)c1ccccc1O ZINC000155958379 261110735 /nfs/dbraw/zinc/11/07/35/261110735.db2.gz KLIXLXIYKRXFBA-CJNGLKHVSA-N 1 0 291.416 3.402 20 10 CGCDRO CC[C@H]([NH2+]C[C@@]1(C)CCCC[C@@H]1O)c1ccccc1O ZINC000156214004 261116913 /nfs/dbraw/zinc/11/69/13/261116913.db2.gz SODWGDUFNIXXMF-BHYGNILZSA-N 1 0 277.408 3.374 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1O)c1ccccc1O ZINC000156300290 261119294 /nfs/dbraw/zinc/11/92/94/261119294.db2.gz HPSWWFAKVXVDPH-BPQIPLTHSA-N 1 0 283.371 3.091 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCO[C@H](C3CC3)C2)c1 ZINC000157885124 261154628 /nfs/dbraw/zinc/15/46/28/261154628.db2.gz FBAHDMRHLPWYOY-BNLOLNQZSA-N 1 0 291.391 3.009 20 10 CGCDRO CC[C@H]1CCCC[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000159459256 261186866 /nfs/dbraw/zinc/18/68/66/261186866.db2.gz WYVFGOPYXQYFGF-ZDUSSCGKSA-N 1 0 279.380 3.174 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)c1cnn(C)c1)c1ccc(N(C)C)cc1 ZINC000163890543 261333849 /nfs/dbraw/zinc/33/38/49/261333849.db2.gz KEAWBXBTXAPNNU-GUYCJALGSA-N 1 0 286.423 3.288 20 10 CGCDRO Cc1ccc([C@@H](O)C[NH2+][C@H](C)c2cc(C)ccc2O)cc1 ZINC000185098852 262040947 /nfs/dbraw/zinc/04/09/47/262040947.db2.gz CFYSPTHCKLJTSK-KDOFPFPSSA-N 1 0 285.387 3.393 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(CO)c(F)c2)c1 ZINC000185121557 262043111 /nfs/dbraw/zinc/04/31/11/262043111.db2.gz VANQMGXZTBFBRM-LBPRGKRZSA-N 1 0 289.350 3.183 20 10 CGCDRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]Cc1ccccc1O ZINC000185195208 262044868 /nfs/dbraw/zinc/04/48/68/262044868.db2.gz RMIUMNFMYQVDRP-HOCLYGCPSA-N 1 0 263.381 3.076 20 10 CGCDRO COc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2O)cc1O ZINC000185301137 262049188 /nfs/dbraw/zinc/04/91/88/262049188.db2.gz VZPASBGWAGLRQX-SNVBAGLBSA-N 1 0 291.322 3.096 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](OC)C(C)(C)C)c1 ZINC000185617702 262062591 /nfs/dbraw/zinc/06/25/91/262062591.db2.gz BFLRDRNJLJGHQV-IAQYHMDHSA-N 1 0 281.396 3.113 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC[C@H]3OCC[C@@H]32)c1 ZINC000185772316 262069713 /nfs/dbraw/zinc/06/97/13/262069713.db2.gz CXGHDKAFHVDVLV-BYMSMCERSA-N 1 0 291.391 3.009 20 10 CGCDRO CC[C@H]([NH2+]CCCc1ccccn1)c1ccccc1O ZINC000186291606 262087730 /nfs/dbraw/zinc/08/77/30/262087730.db2.gz JUUHKKIUVUKCKR-INIZCTEOSA-N 1 0 270.376 3.461 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CC(C)(C)OC2(C)C)c1 ZINC000186499826 262095582 /nfs/dbraw/zinc/09/55/82/262095582.db2.gz LAKHBRYXLFUUHW-XHDPSFHLSA-N 1 0 293.407 3.398 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccsc2)c(O)c1 ZINC000185513622 262305745 /nfs/dbraw/zinc/30/57/45/262305745.db2.gz JBSJTVCCWXXGJO-ABAIWWIYSA-N 1 0 277.389 3.146 20 10 CGCDRO COc1cccc(C[NH2+]Cc2ccc([C@@H]3C[C@@H]3C)o2)c1O ZINC000263655754 262851061 /nfs/dbraw/zinc/85/10/61/262851061.db2.gz FWDXRHRITDUCQA-SMDDNHRTSA-N 1 0 287.359 3.407 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H](C)[C@H](C)OC)cc1 ZINC000290212976 263115498 /nfs/dbraw/zinc/11/54/98/263115498.db2.gz QBNXVYPZNNQJTN-MCIONIFRSA-N 1 0 264.413 3.217 20 10 CGCDRO Cc1cccc(C[N@H+](Cc2cccnc2)C2CC2)c1O ZINC000290607215 263117891 /nfs/dbraw/zinc/11/78/91/263117891.db2.gz WHDRLRXLTCJJHT-UHFFFAOYSA-N 1 0 268.360 3.260 20 10 CGCDRO O[C@@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000294176855 265001168 /nfs/dbraw/zinc/00/11/68/265001168.db2.gz WQVXEQCOVKXEMF-GOSISDBHSA-N 1 0 288.435 3.024 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)c1cc(Cl)ccc1O ZINC000376894715 268028263 /nfs/dbraw/zinc/02/82/63/268028263.db2.gz UKTWTYIKYWMXQW-RJIBLYRGSA-N 1 0 281.783 3.264 20 10 CGCDRO CC[C@@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1ccccc1O ZINC000037087289 276533829 /nfs/dbraw/zinc/53/38/29/276533829.db2.gz KNPBGZZQBPRDDH-HUUCEWRRSA-N 1 0 285.391 3.244 20 10 CGCDRO COCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000282101595 277555367 /nfs/dbraw/zinc/55/53/67/277555367.db2.gz IQKHSAPFOXSRNU-ZBFHGGJFSA-N 1 0 294.414 3.187 20 10 CGCDRO C[C@H](C[NH2+][C@@H](C)c1ccc(N(C)C)cc1)N1CCCCC1 ZINC000038028995 278208923 /nfs/dbraw/zinc/20/89/23/278208923.db2.gz GRNMHGISIIHUTC-CVEARBPZSA-N 1 0 289.467 3.278 20 10 CGCDRO CC[C@H]([NH2+]CCC[NH+](C)C)c1cccc(Cl)c1[O-] ZINC000286924466 288039677 /nfs/dbraw/zinc/03/96/77/288039677.db2.gz LAADMVHGPRZFRQ-ZDUSSCGKSA-N 1 0 270.804 3.038 20 10 CGCDRO Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2ccccc2O)n1 ZINC000367541888 281246908 /nfs/dbraw/zinc/24/69/08/281246908.db2.gz LJGQBAQRKYWNPG-MRXNPFEDSA-N 1 0 297.402 3.172 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCOCC(C)C)c1 ZINC000020147277 295167262 /nfs/dbraw/zinc/16/72/62/295167262.db2.gz FRNXYAYMULVTJC-CYBMUJFWSA-N 1 0 281.396 3.114 20 10 CGCDRO C[C@H]([NH2+]CCCn1cccn1)c1cc2c(cc1O)CCCC2 ZINC000184957288 327834981 /nfs/dbraw/zinc/83/49/81/327834981.db2.gz FUSLQYASHDWSHQ-AWEZNQCLSA-N 1 0 299.418 3.208 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCc2nccnc2C)c(O)c1 ZINC000295063159 328284712 /nfs/dbraw/zinc/28/47/12/328284712.db2.gz RKLDFSNGNIAKCC-AWEZNQCLSA-N 1 0 285.391 3.001 20 10 CGCDRO Cc1cc(O)c(C[N@H+](C)Cc2ccccc2O)cc1C ZINC000091956720 327188165 /nfs/dbraw/zinc/18/81/65/327188165.db2.gz BPHCTLYAXCDFBB-UHFFFAOYSA-N 1 0 271.360 3.347 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CCCC[C@@H]1O)c1ccc2ccccc2c1O ZINC000051991395 327547902 /nfs/dbraw/zinc/54/79/02/327547902.db2.gz DXUPSTFYOZFZQZ-DQYPLSBCSA-N 1 0 285.387 3.500 20 10 CGCDRO Oc1ccccc1C[N@H+]1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000378494310 329052848 /nfs/dbraw/zinc/05/28/48/329052848.db2.gz KQNYFVRCJJMXFZ-HKUYNNGSSA-N 1 0 297.398 3.480 20 10 CGCDRO CSC(C)(C)C[NH2+][C@H](C)c1ccc(C)cc1O ZINC000168814215 329059428 /nfs/dbraw/zinc/05/94/28/329059428.db2.gz BZDQNCPPBPHWMB-LLVKDONJSA-N 1 0 253.411 3.493 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000188249670 329367029 /nfs/dbraw/zinc/36/70/29/329367029.db2.gz MHDVGXDIBMXGTO-INIZCTEOSA-N 1 0 295.810 3.437 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H](C)c2ncccc2F)cc1C ZINC000527827060 330286699 /nfs/dbraw/zinc/28/66/99/330286699.db2.gz ZEVXBDKHRFKSLS-LBPRGKRZSA-N 1 0 274.339 3.394 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]CC[C@H]2CCCOC2)c(O)c1 ZINC000527924167 330296202 /nfs/dbraw/zinc/29/62/02/330296202.db2.gz HIQRPZCKVKVNPM-LSDHHAIUSA-N 1 0 277.408 3.476 20 10 CGCDRO CCO[C@@]1(C)C[C@H]1[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000527983913 330298400 /nfs/dbraw/zinc/29/84/00/330298400.db2.gz YAWUNRJEGIGSBS-NGMYAQNXSA-N 1 0 279.355 3.237 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2[C@H](C)O[C@H](C)[C@H]2C)c2c1c(F)ccc2O ZINC000527998483 330299726 /nfs/dbraw/zinc/29/97/26/330299726.db2.gz BDXPNHWPHKJCHC-HVLYTTOCSA-N 1 0 293.382 3.481 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)c(O)c1 ZINC000527999218 330299888 /nfs/dbraw/zinc/29/98/88/330299888.db2.gz CTUZMNBVZRGSAF-DJUFWWRVSA-N 1 0 263.381 3.163 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCN2C2CCCC2)c(O)c1 ZINC000528001089 330299970 /nfs/dbraw/zinc/29/99/70/330299970.db2.gz KXSSYXFZKBKNFO-ZBFHGGJFSA-N 1 0 288.435 3.368 20 10 CGCDRO C[C@@H]([NH2+]CC1(N(C)C)CCCC1)c1cc(F)ccc1O ZINC000160713981 330873986 /nfs/dbraw/zinc/87/39/86/330873986.db2.gz MAUBOMZRZONREK-GFCCVEGCSA-N 1 0 280.387 3.056 20 10 CGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H](C)c1ccncn1 ZINC000453216125 331102555 /nfs/dbraw/zinc/10/25/55/331102555.db2.gz LHFUZKGLXPRZPR-ZDUSSCGKSA-N 1 0 280.375 3.128 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]CC[C@H]2CCCCO2)c1O ZINC000230935744 333322725 /nfs/dbraw/zinc/32/27/25/333322725.db2.gz PSPRKFKKGRJODJ-CYBMUJFWSA-N 1 0 299.798 3.103 20 10 CGCDRO CC(C)N1CCC([NH2+][C@@H](C)c2cc(F)ccc2O)CC1 ZINC000094616971 519672431 /nfs/dbraw/zinc/67/24/31/519672431.db2.gz RLJUYRBNAOXTGJ-LBPRGKRZSA-N 1 0 280.387 3.055 20 10 CGCDRO CCCCOCC[NH2+][C@H](C)c1cc(C)ccc1O ZINC000040506756 520783468 /nfs/dbraw/zinc/78/34/68/520783468.db2.gz QTGPDZAMBYQGDE-CYBMUJFWSA-N 1 0 251.370 3.168 20 10 CGCDRO CCN(CC)[C@@H](C[NH2+]Cc1ccccc1O)c1ccco1 ZINC000236850439 520840610 /nfs/dbraw/zinc/84/06/10/520840610.db2.gz PHHQCFUWXINTJK-HNNXBMFYSA-N 1 0 288.391 3.158 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]CC2(OCC)CCCC2)c1 ZINC000292961470 521149944 /nfs/dbraw/zinc/14/99/44/521149944.db2.gz LKTQDRQBEAAKLG-UHFFFAOYSA-N 1 0 293.407 3.230 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H](C)c2ccccn2)c1O ZINC000020123371 521370798 /nfs/dbraw/zinc/37/07/98/521370798.db2.gz LPQWRNXFWNOLNM-LBPRGKRZSA-N 1 0 272.348 3.037 20 10 CGCDRO CCOC(CC[NH2+][C@H](C)c1ccc(N(C)C)cc1)OCC ZINC000276497548 521630081 /nfs/dbraw/zinc/63/00/81/521630081.db2.gz IWIKFOUZVQRDCS-CQSZACIVSA-N 1 0 294.439 3.192 20 10 CGCDRO CC[C@@H](C)[C@H](O)C[NH2+][C@@H](CC)c1ccc(C)cc1O ZINC000280101662 522395140 /nfs/dbraw/zinc/39/51/40/522395140.db2.gz NETAJAUPFJMQQJ-IVMMDQJWSA-N 1 0 265.397 3.148 20 10 CGCDRO CCc1nnc([C@H](C)[NH2+][C@H](CC)c2ccc(C)cc2O)[nH]1 ZINC000280177847 522456328 /nfs/dbraw/zinc/45/63/28/522456328.db2.gz RMSVHMVCWYWTRO-WCQYABFASA-N 1 0 288.395 3.183 20 10 CGCDRO COc1cc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)ccn1 ZINC000062058052 522473819 /nfs/dbraw/zinc/47/38/19/522473819.db2.gz HMRNKCWSPLABJI-ZDUSSCGKSA-N 1 0 285.391 3.007 20 10 CGCDRO CC[C@@H](C[NH2+][C@H](C)c1ccc(C)c(C)c1O)OC ZINC000290240111 522551223 /nfs/dbraw/zinc/55/12/23/522551223.db2.gz SMKRUACITVIJLZ-OLZOCXBDSA-N 1 0 251.370 3.085 20 10 CGCDRO CC[C@H]([NH2+]CCCCCCO)c1ccc(C)cc1O ZINC000279975713 522579581 /nfs/dbraw/zinc/57/95/81/522579581.db2.gz DGQBCOOXHJQKCH-HNNXBMFYSA-N 1 0 265.397 3.294 20 10 CGCDRO CC[C@H]([NH2+]CCc1ccncc1)c1ccc(C)cc1O ZINC000280235437 522602532 /nfs/dbraw/zinc/60/25/32/522602532.db2.gz VOBPNHYRYZRDBH-INIZCTEOSA-N 1 0 270.376 3.379 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCN2CCCC[C@@H]12)c1ccc(C)cc1O ZINC000280097503 522719781 /nfs/dbraw/zinc/71/97/81/522719781.db2.gz MWFKXBSMKAJKEV-BBWFWOEESA-N 1 0 288.435 3.368 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCOC[C@H]1C)c1ccc(C)cc1O ZINC000280161289 522720177 /nfs/dbraw/zinc/72/01/77/522720177.db2.gz QRYODXJRLWCUGR-VHDGCEQUSA-N 1 0 263.381 3.166 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)[C@@H](C)OC)c1ccc(C)cc1O ZINC000290112058 522736652 /nfs/dbraw/zinc/73/66/52/522736652.db2.gz ISSCKJQBEZELRR-BZPMIXESSA-N 1 0 251.370 3.165 20 10 CGCDRO CC[C@@H]([NH2+]CC(CC)(CC)CO)c1ccccc1O ZINC000156899774 522818209 /nfs/dbraw/zinc/81/82/09/522818209.db2.gz WUEPJQVWZUYDNB-CQSZACIVSA-N 1 0 265.397 3.232 20 10 CGCDRO CC[C@@H]([NH2+]CC1(N(C)C)CCC1)c1ccc(C)cc1O ZINC000280198385 522821306 /nfs/dbraw/zinc/82/13/06/522821306.db2.gz SQDUTCPXEIYGBX-OAHLLOKOSA-N 1 0 276.424 3.226 20 10 CGCDRO CC[C@@H]([NH2+]CCC[C@@H](C)CO)c1ccc(C)cc1O ZINC000280272649 522831530 /nfs/dbraw/zinc/83/15/30/522831530.db2.gz YASGBMVCGFYXES-UKRRQHHQSA-N 1 0 265.397 3.150 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](CO)CC(C)C)c1ccc(C)cc1O ZINC000279983268 522920262 /nfs/dbraw/zinc/92/02/62/522920262.db2.gz DVBIUDSVWNQGGI-UKRRQHHQSA-N 1 0 265.397 3.148 20 10 CGCDRO Cc1cccc(C[NH2+][C@H](C)c2c(F)cncc2F)c1O ZINC000289631587 524438955 /nfs/dbraw/zinc/43/89/55/524438955.db2.gz LZBUZBCRZFBRHQ-SNVBAGLBSA-N 1 0 278.302 3.225 20 10 CGCDRO Cc1ccc(C[C@@H](C)[NH2+]Cc2ccccc2O)s1 ZINC000080226513 524663290 /nfs/dbraw/zinc/66/32/90/524663290.db2.gz JFFVMMDZHNMNJO-LLVKDONJSA-N 1 0 261.390 3.483 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CCSC(C)(C)CC2)c1 ZINC000279481902 524746287 /nfs/dbraw/zinc/74/62/87/524746287.db2.gz UAFSVPBUMVRXIR-UHFFFAOYSA-N 1 0 281.421 3.118 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+](C)[C@@H]2CCN(C)C[C@@H]2C)c1O ZINC000290343747 524860255 /nfs/dbraw/zinc/86/02/55/524860255.db2.gz FQORHXONPRIIBE-SWLSCSKDSA-N 1 0 296.842 3.126 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](N3CCCCC3)C2)cc1C ZINC000264561898 525318543 /nfs/dbraw/zinc/31/85/43/525318543.db2.gz FSFDKAQPNZJTJW-QGZVFWFLSA-N 1 0 288.435 3.069 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1CCCCN1C1CC1)c1cc(F)ccc1O ZINC000278378151 525387245 /nfs/dbraw/zinc/38/72/45/525387245.db2.gz DZCISSBPYZKVHE-WFASDCNBSA-N 1 0 292.398 3.199 20 10 CGCDRO C[C@@H](O)CCC[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000279048003 525759298 /nfs/dbraw/zinc/75/92/98/525759298.db2.gz JVXHUQSYDZLFLH-HZPDHXFCSA-N 1 0 290.451 3.489 20 10 CGCDRO Cc1ccc([C@@H](O)C[NH2+]Cc2cc(C)c(C)cc2O)cc1 ZINC000278104252 525780590 /nfs/dbraw/zinc/78/05/90/525780590.db2.gz ALLIWDMUZZUJSB-SFHVURJKSA-N 1 0 285.387 3.141 20 10 CGCDRO Cc1cn[nH]c1C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000290348151 526022703 /nfs/dbraw/zinc/02/27/03/526022703.db2.gz FFBTUEBMAZJTBF-UHFFFAOYSA-N 1 0 286.423 3.195 20 10 CGCDRO COc1cccc(C[NH2+][C@H]2CS[C@@H](C(C)C)C2)c1O ZINC000289393855 526039775 /nfs/dbraw/zinc/03/97/75/526039775.db2.gz FJUWGFULALKONN-TZMCWYRMSA-N 1 0 281.421 3.021 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000280387663 526349311 /nfs/dbraw/zinc/34/93/11/526349311.db2.gz AGRQLQSSEPBJHE-SECBINFHSA-N 1 0 259.271 3.056 20 10 CGCDRO Oc1ccccc1C[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC000293069492 526371511 /nfs/dbraw/zinc/37/15/11/526371511.db2.gz VGHSYALXNKSWST-UHFFFAOYSA-N 1 0 296.292 3.138 20 10 CGCDRO CC[N@@H+](Cc1c(O)ccc2ccccc21)C[C@@H]1CCOC1 ZINC000738081476 572364776 /nfs/dbraw/zinc/36/47/76/572364776.db2.gz LBBRCHTXSUKKJV-AWEZNQCLSA-N 1 0 285.387 3.404 20 10 CGCDRO CCOc1ccc(C[NH2+][C@@H](C)c2ccccn2)c(O)c1 ZINC000725849490 572442846 /nfs/dbraw/zinc/44/28/46/572442846.db2.gz OTFPLWJDWADUOQ-LBPRGKRZSA-N 1 0 272.348 3.037 20 10 CGCDRO CC(C)n1cc([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2)cn1 ZINC000732821035 572485150 /nfs/dbraw/zinc/48/51/50/572485150.db2.gz UKNSIDOBUDFVQA-CQSZACIVSA-N 1 0 286.423 3.381 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2C[C@@H](C)OC(C)(C)C2)cc1 ZINC000741754599 572521654 /nfs/dbraw/zinc/52/16/54/572521654.db2.gz SPOKGYLRBRPMKK-CQSZACIVSA-N 1 0 276.424 3.142 20 10 CGCDRO C[C@@H](Cc1ccco1)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000733324449 572555146 /nfs/dbraw/zinc/55/51/46/572555146.db2.gz YSQMNCSZPIUTEO-LBPRGKRZSA-N 1 0 276.355 3.206 20 10 CGCDRO C[C@H]1CCC[C@H](C)[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000742155990 572556723 /nfs/dbraw/zinc/55/67/23/572556723.db2.gz VBXBTDUUDKSOQT-RYUDHWBXSA-N 1 0 277.364 3.131 20 10 CGCDRO CC(C)C[C@@H]1COCC[N@@H+]1Cc1cc2c(cc1O)CCC2 ZINC000733790223 572602884 /nfs/dbraw/zinc/60/28/84/572602884.db2.gz HTPRIZHOGPXEFG-QGZVFWFLSA-N 1 0 289.419 3.128 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]Cc2cccc(F)n2)cc1 ZINC000747938120 572956443 /nfs/dbraw/zinc/95/64/43/572956443.db2.gz LEBKLOXYCJWCFL-UHFFFAOYSA-N 1 0 287.382 3.357 20 10 CGCDRO C[C@H]1CC[C@H](C)C1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000749925557 573060441 /nfs/dbraw/zinc/06/04/41/573060441.db2.gz YDBHPIOCFDHNQM-GJZGRUSLSA-N 1 0 288.435 3.047 20 10 CGCDRO COc1ccc(C[NH2+]CC2(O)CCCCCC2)cc1C ZINC000079619376 617979898 /nfs/dbraw/zinc/97/98/98/617979898.db2.gz NPOOAWXNLGZVIR-UHFFFAOYSA-N 1 0 277.408 3.179 20 10 CGCDRO C[C@@H]([NH2+]CCN1CCC[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000246852827 617618998 /nfs/dbraw/zinc/61/89/98/617618998.db2.gz CQJVENBNDNTXBV-HZPDHXFCSA-N 1 0 289.467 3.135 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H]1CCC(C)(C)O1)c1ccccc1O ZINC000187842168 617640819 /nfs/dbraw/zinc/64/08/19/617640819.db2.gz XINPGRCKIONYFI-JSGCOSHPSA-N 1 0 263.381 3.391 20 10 CGCDRO CCOc1cccc(C[NH+]2CCC(C(F)F)CC2)c1O ZINC000307877104 618098349 /nfs/dbraw/zinc/09/83/49/618098349.db2.gz IRVVYZUUMIIOCL-UHFFFAOYSA-N 1 0 285.334 3.268 20 10 CGCDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000187575644 618098916 /nfs/dbraw/zinc/09/89/16/618098916.db2.gz HRVCZHHCSBRBMN-MAUKXSAKSA-N 1 0 288.435 3.144 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CC[C@H](C)[C@H]2CC)c1O ZINC000187576043 618110218 /nfs/dbraw/zinc/11/02/18/618110218.db2.gz TYPWITSBVAQUCT-GXTWGEPZSA-N 1 0 263.381 3.411 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H](C)CCOC)cc1 ZINC000840836955 618165492 /nfs/dbraw/zinc/16/54/92/618165492.db2.gz LTROFJJMYFNTMR-LSDHHAIUSA-N 1 0 278.440 3.466 20 10 CGCDRO Oc1ccccc1C[N@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000179585690 618796116 /nfs/dbraw/zinc/79/61/16/618796116.db2.gz XJBQBLXURYSJLC-SFHVURJKSA-N 1 0 297.398 3.226 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CCc3ccccc32)c(O)c1OC ZINC000892473843 618798048 /nfs/dbraw/zinc/79/80/48/618798048.db2.gz UVCUPKRXBGBWFG-OAHLLOKOSA-N 1 0 299.370 3.187 20 10 CGCDRO COc1ccc(N2CCC[N@@H+]([C@H]3C=CCCC3)CC2)cc1 ZINC000066495484 618853901 /nfs/dbraw/zinc/85/39/01/618853901.db2.gz FAQKIBCCRSNPMA-INIZCTEOSA-N 1 0 286.419 3.316 20 10 CGCDRO Cc1nn(C(C)C)c(C)c1C[NH2+]Cc1ccccc1O ZINC000892791166 618936927 /nfs/dbraw/zinc/93/69/27/618936927.db2.gz LASDJRKMUYNWCW-UHFFFAOYSA-N 1 0 273.380 3.076 20 10 CGCDRO CC(C)N(C)C[C@H](C)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000312467698 619078538 /nfs/dbraw/zinc/07/85/38/619078538.db2.gz WUQUPYLZUAFQQQ-LSDHHAIUSA-N 1 0 277.456 3.132 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]Cc2cnccc2C)c(O)c1 ZINC000162704310 619134459 /nfs/dbraw/zinc/13/44/59/619134459.db2.gz KWORRHLENVLEMS-ZDUSSCGKSA-N 1 0 256.349 3.255 20 10 CGCDRO C[C@@H]1SCC[N@H+](Cc2cc(Cl)ccc2O)[C@H]1C ZINC000093500526 619202244 /nfs/dbraw/zinc/20/22/44/619202244.db2.gz GFMYWZMJYBOLPD-UWVGGRQHSA-N 1 0 271.813 3.371 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H](C)[C@@H](C)C2)c(O)c1OC ZINC000893568056 619224800 /nfs/dbraw/zinc/22/48/00/619224800.db2.gz RQNKYFSDDMESIW-MBNYWOFBSA-N 1 0 293.407 3.324 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2cc(N)ccn2)c1O ZINC000925769227 619229697 /nfs/dbraw/zinc/22/96/97/619229697.db2.gz ZJRJDHUQVXSSJO-SNVBAGLBSA-N 1 0 291.782 3.182 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCO[C@@H](C3CC3)C2)c(Cl)c1 ZINC000840939994 619231508 /nfs/dbraw/zinc/23/15/08/619231508.db2.gz SVLHIUUMQQIYGR-MLGOLLRUSA-N 1 0 295.810 3.401 20 10 CGCDRO CC(C)(C)[C@@H](Cn1ccnc1)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000319207728 619289757 /nfs/dbraw/zinc/28/97/57/619289757.db2.gz FZHOZYXARZEUHQ-GOEBONIOSA-N 1 0 299.418 3.281 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](CO)[C@H]2C)cc1 ZINC000840977343 619308684 /nfs/dbraw/zinc/30/86/84/619308684.db2.gz HIFBDEGWRCVAPT-WBVHZDCISA-N 1 0 290.451 3.126 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](CO)[C@@H]2C)cc1 ZINC000840977341 619308697 /nfs/dbraw/zinc/30/86/97/619308697.db2.gz HIFBDEGWRCVAPT-RDJZCZTQSA-N 1 0 290.451 3.126 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](CO)[C@@H]2C)cc1 ZINC000840977332 619308915 /nfs/dbraw/zinc/30/89/15/619308915.db2.gz HIFBDEGWRCVAPT-DOTOQJQBSA-N 1 0 290.451 3.126 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@@H](C)Cc2cccs2)c1O ZINC000894164524 619397827 /nfs/dbraw/zinc/39/78/27/619397827.db2.gz IETOPUVDERGMKR-LBPRGKRZSA-N 1 0 291.416 3.492 20 10 CGCDRO COc1cc(C)cc(C[NH2+]CCCC(F)(F)F)c1O ZINC000894301351 619475664 /nfs/dbraw/zinc/47/56/64/619475664.db2.gz YISFMCITZYWWBK-UHFFFAOYSA-N 1 0 277.286 3.141 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@H](C)CC(F)(F)F)c1O ZINC000894473847 619548151 /nfs/dbraw/zinc/54/81/51/619548151.db2.gz HQEYTWWFCNTHNC-SECBINFHSA-N 1 0 277.286 3.140 20 10 CGCDRO COc1ccc(C[NH2+]Cc2ccc(SC)o2)c(O)c1 ZINC000894640038 619592771 /nfs/dbraw/zinc/59/27/71/619592771.db2.gz YCARJGYOPPUFLK-UHFFFAOYSA-N 1 0 279.361 3.006 20 10 CGCDRO C[C@@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000894748589 619619957 /nfs/dbraw/zinc/61/99/57/619619957.db2.gz UHNRWEBQEDLWQF-RISCZKNCSA-N 1 0 299.361 3.186 20 10 CGCDRO COc1cc(C)cc(C[N@H+](C)Cc2ccc(O)cc2)c1O ZINC000894777505 619631812 /nfs/dbraw/zinc/63/18/12/619631812.db2.gz RENLEGHKZHAKJZ-UHFFFAOYSA-N 1 0 287.359 3.047 20 10 CGCDRO C[C@H]([NH2+]CCn1cccn1)c1ccc2ccccc2c1O ZINC000049074500 619680167 /nfs/dbraw/zinc/68/01/67/619680167.db2.gz HIGQWDGPHQSKFO-ZDUSSCGKSA-N 1 0 281.359 3.093 20 10 CGCDRO COc1ccc(C[NH2+][C@H]2C[C@](C)(OC)C2(C)C)cc1C ZINC000237182910 619717199 /nfs/dbraw/zinc/71/71/99/619717199.db2.gz YRCMVGCCVCJJIM-RDJZCZTQSA-N 1 0 277.408 3.297 20 10 CGCDRO Cc1ccc(C[NH2+]CC(C)(C)CC(F)F)c(O)c1 ZINC000895532358 619842580 /nfs/dbraw/zinc/84/25/80/619842580.db2.gz NXEGLWFOUOPHJT-UHFFFAOYSA-N 1 0 257.324 3.472 20 10 CGCDRO CO[C@H]1C[C@H](C[NH2+]Cc2ccc3ccccc3c2O)C1 ZINC000895539714 619844781 /nfs/dbraw/zinc/84/47/81/619844781.db2.gz BXNMRCCIWPBOEQ-NNUKFRKNSA-N 1 0 271.360 3.060 20 10 CGCDRO Cc1ccc(O)c(C[NH+]2CCC3(CCCCO3)CC2)c1 ZINC000895653057 619866906 /nfs/dbraw/zinc/86/69/06/619866906.db2.gz DHHVSFCOFAKLOT-UHFFFAOYSA-N 1 0 275.392 3.236 20 10 CGCDRO Cc1cc(F)ncc1C[NH2+][C@@H](C)c1ccccc1O ZINC000895852152 619897437 /nfs/dbraw/zinc/89/74/37/619897437.db2.gz QAWFVXGMHJKQHE-NSHDSACASA-N 1 0 260.312 3.086 20 10 CGCDRO Cc1cc(C[NH2+][C@H](C)c2ccccc2O)cnc1F ZINC000895852363 619897518 /nfs/dbraw/zinc/89/75/18/619897518.db2.gz TWFSANMQAFRAPQ-LLVKDONJSA-N 1 0 260.312 3.086 20 10 CGCDRO Cc1cccc(CN[C@H]2c3ccccc3OC[C@H]2F)c1O ZINC000896423526 620007059 /nfs/dbraw/zinc/00/70/59/620007059.db2.gz UANPWFBEGTXOEM-ZBFHGGJFSA-N 1 0 287.334 3.262 20 10 CGCDRO COc1cccc(O)c1C[NH+]1CCC(F)(C2CC2)CC1 ZINC000896946050 620109908 /nfs/dbraw/zinc/10/99/08/620109908.db2.gz DBYXXCQGWCCYNX-UHFFFAOYSA-N 1 0 279.355 3.115 20 10 CGCDRO CCO[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000897071455 620134891 /nfs/dbraw/zinc/13/48/91/620134891.db2.gz QTQLHIKFSLINJB-SFHVURJKSA-N 1 0 288.435 3.288 20 10 CGCDRO Cc1noc(C)c1[C@@H](C)[NH2+]Cc1cc(C)ccc1O ZINC000073006866 625405577 /nfs/dbraw/zinc/40/55/77/625405577.db2.gz LTNMYDKGUNKPDT-SNVBAGLBSA-N 1 0 260.337 3.156 20 10 CGCDRO [O-]c1c(F)cc(Cl)cc1C[NH2+]C1([C@@H]2CCCCO2)CC1 ZINC000897387368 620280486 /nfs/dbraw/zinc/28/04/86/620280486.db2.gz RXUQCDPOYAHYLV-ZDUSSCGKSA-N 1 0 299.773 3.376 20 10 CGCDRO CCc1cccc(C[NH2+]CC(C)(C)C2CCOCC2)c1O ZINC000897442552 620337426 /nfs/dbraw/zinc/33/74/26/620337426.db2.gz XUKPDVLVUJYFDB-UHFFFAOYSA-N 1 0 291.435 3.497 20 10 CGCDRO C[C@@H]([NH2+][C@H](CCO)c1ccco1)c1ccc(Cl)cc1O ZINC000841751690 620375102 /nfs/dbraw/zinc/37/51/02/620375102.db2.gz IQDVRAMIAPYVOP-ZWNOBZJWSA-N 1 0 295.766 3.413 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1O)[C@H](O)C(C)C ZINC000841756272 620402572 /nfs/dbraw/zinc/40/25/72/620402572.db2.gz SLFCTSCRXXNXOI-VZJVUDMVSA-N 1 0 285.815 3.492 20 10 CGCDRO C[C@@H](Cc1ccsc1)[NH2+]CCc1ccc(N)cc1 ZINC000841034041 620414525 /nfs/dbraw/zinc/41/45/25/620414525.db2.gz FSDOXBXISFIGEG-LBPRGKRZSA-N 1 0 260.406 3.094 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCN(CC(F)F)C1)c1ccc(C)cc1O ZINC000841765820 620415024 /nfs/dbraw/zinc/41/50/24/620415024.db2.gz VIIMZPXFDRPWGX-OCCSQVGLSA-N 1 0 298.377 3.081 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+][C@H]1CCOC12CCCCC2 ZINC000897729172 620428354 /nfs/dbraw/zinc/42/83/54/620428354.db2.gz UHOHZSZRBQKTBD-HNNXBMFYSA-N 1 0 279.355 3.113 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@H](C)c2cncs2)c1 ZINC000897934815 620451991 /nfs/dbraw/zinc/45/19/91/620451991.db2.gz PCTDOLNWJXZUOW-SNVBAGLBSA-N 1 0 278.377 3.098 20 10 CGCDRO CCCOc1ccc(C[NH2+]CC[C@H](O)C2CC2)cc1C ZINC000898194532 620492846 /nfs/dbraw/zinc/49/28/46/620492846.db2.gz JNLQJRUJSIUSHP-INIZCTEOSA-N 1 0 277.408 3.034 20 10 CGCDRO Cc1cccc(C[NH2+][C@H](c2ccncc2)C2CC2)c1O ZINC000898322058 620506073 /nfs/dbraw/zinc/50/60/73/620506073.db2.gz GQRXEKPVUAELPW-INIZCTEOSA-N 1 0 268.360 3.337 20 10 CGCDRO CC[C@@](C)(C[NH2+][C@@H](C)c1ccc(C)cc1O)OC ZINC000322944021 620526101 /nfs/dbraw/zinc/52/61/01/620526101.db2.gz QCPAZCNBOFZGCT-WFASDCNBSA-N 1 0 251.370 3.166 20 10 CGCDRO C[C@H]([NH2+]CCN1CCC(C)CC1)c1ccc(N(C)C)cc1 ZINC000040771978 620545174 /nfs/dbraw/zinc/54/51/74/620545174.db2.gz HLZMZKAMBSGFIS-INIZCTEOSA-N 1 0 289.467 3.135 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCN2CCC(C)CC2)c1 ZINC000040771857 620545285 /nfs/dbraw/zinc/54/52/85/620545285.db2.gz NUUWFWLOKOBGQO-OAHLLOKOSA-N 1 0 276.424 3.083 20 10 CGCDRO Cc1nc(C[NH2+][C@@H](C)c2ccc(C)cc2O)cs1 ZINC000041010449 620549897 /nfs/dbraw/zinc/54/98/97/620549897.db2.gz DCDQGBXRXGWVOS-JTQLQIEISA-N 1 0 262.378 3.316 20 10 CGCDRO CCC[C@@H](O)CC[NH2+][C@H](CC)c1ccc(C)cc1O ZINC000927014548 620560856 /nfs/dbraw/zinc/56/08/56/620560856.db2.gz CTQJOAYDSFMRGA-UKRRQHHQSA-N 1 0 265.397 3.292 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+]C/C=C\Cl)cc1 ZINC000898426940 620585192 /nfs/dbraw/zinc/58/51/92/620585192.db2.gz CJKSHQKDLMPJFS-GZDBDKJZSA-N 1 0 250.773 3.108 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+]C/C=C\Cl)cc1 ZINC000898426937 620585198 /nfs/dbraw/zinc/58/51/98/620585198.db2.gz CJKSHQKDLMPJFS-DMXZVYFZSA-N 1 0 250.773 3.108 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCCC[C@@H]([C@@H]3CCOC3)C2)c(O)c1 ZINC000898511660 620594137 /nfs/dbraw/zinc/59/41/37/620594137.db2.gz DHTNCHJOSOFIPL-NVXWUHKLSA-N 1 0 289.419 3.339 20 10 CGCDRO C[C@@H]([NH2+]C1([C@H]2CCCCO2)CC1)c1cc(F)ccc1O ZINC000927158924 620611421 /nfs/dbraw/zinc/61/14/21/620611421.db2.gz DKKVQDLNHIVBDY-IAQYHMDHSA-N 1 0 279.355 3.284 20 10 CGCDRO CNc1ccc(C)cc1C[NH2+]Cc1ccccc1O ZINC000902155155 621172965 /nfs/dbraw/zinc/17/29/65/621172965.db2.gz DQPOKFJHQJUZEU-UHFFFAOYSA-N 1 0 256.349 3.032 20 10 CGCDRO CCO[C@H]1CC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000902529280 621364021 /nfs/dbraw/zinc/36/40/21/621364021.db2.gz UMEIFHQYNFKVAW-AWEZNQCLSA-N 1 0 293.407 3.006 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CC2(C3(O)CCC3)CC2)c(O)c1 ZINC000903258035 621644890 /nfs/dbraw/zinc/64/48/90/621644890.db2.gz OLACJGVMTJOHQT-CQSZACIVSA-N 1 0 289.419 3.355 20 10 CGCDRO CC[C@H]([NH2+]CC1(C2(O)CCC2)CC1)c1ccc(C)cc1O ZINC000903257998 621644974 /nfs/dbraw/zinc/64/49/74/621644974.db2.gz NROQZKDGGYHUNB-HNNXBMFYSA-N 1 0 289.419 3.437 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1C)c1cc2c(cc1O)CCCC2 ZINC000903299645 621667822 /nfs/dbraw/zinc/66/78/22/621667822.db2.gz BXSPWOFFTKFWEO-OGHNNQOOSA-N 1 0 288.435 3.014 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1CCN1C)c1ccc(N2CCCCC2)cc1 ZINC000903322537 621676721 /nfs/dbraw/zinc/67/67/21/621676721.db2.gz ITWVTBYULGIJLH-YJBOKZPZSA-N 1 0 287.451 3.032 20 10 CGCDRO C[C@H]([NH2+]C1CC(CCO)C1)c1ccc2ccccc2c1O ZINC000903328876 621702749 /nfs/dbraw/zinc/70/27/49/621702749.db2.gz GJFJJAKPYIPBDB-OPFPJEHXSA-N 1 0 285.387 3.357 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCOC23CCCC3)c1O ZINC000903390566 621728941 /nfs/dbraw/zinc/72/89/41/621728941.db2.gz WDAXASYHWHXQBK-IUODEOHRSA-N 1 0 291.391 3.153 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CC=CC[C@H]2C)c1O ZINC000903414270 621734987 /nfs/dbraw/zinc/73/49/87/621734987.db2.gz VFRYVGLGFZWKDA-YRGRVCCFSA-N 1 0 261.365 3.406 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CC=CC[C@H]2C)c1O ZINC000903414269 621735025 /nfs/dbraw/zinc/73/50/25/621735025.db2.gz VFRYVGLGFZWKDA-MBNYWOFBSA-N 1 0 261.365 3.406 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2COC[C@@H]2C2CC2)cc1 ZINC000903436386 621746477 /nfs/dbraw/zinc/74/64/77/621746477.db2.gz JBQXRQCACHQJPD-MORSLUCNSA-N 1 0 288.435 3.218 20 10 CGCDRO C[C@H]([NH2+]CCOC1CCSCC1)c1cc(F)ccc1O ZINC000903444410 621755225 /nfs/dbraw/zinc/75/52/25/621755225.db2.gz AKAYPWVYJKCGOQ-NSHDSACASA-N 1 0 299.411 3.094 20 10 CGCDRO C[NH+]1CCN(c2ccc(/C=C\c3nccs3)cc2)CC1 ZINC000905073954 622036787 /nfs/dbraw/zinc/03/67/87/622036787.db2.gz VHXWNNAUSCYXFS-DAXSKMNVSA-N 1 0 285.416 3.065 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@H+]2CCC[C@@H]2c2ccnn2C)c1 ZINC000905741319 622103244 /nfs/dbraw/zinc/10/32/44/622103244.db2.gz MSRROCBQARLBLG-MRXNPFEDSA-N 1 0 285.391 3.080 20 10 CGCDRO CCO[C@H]1C[C@@H]([NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)C1 ZINC000840763476 625550754 /nfs/dbraw/zinc/55/07/54/625550754.db2.gz JOVUUWUOSNYXMJ-DCQANWLSSA-N 1 0 279.355 3.237 20 10 CGCDRO CCO[C@H]1C[C@@H]([NH2+][C@H](CC)c2ccc(N(C)C)cc2)C1 ZINC000840763428 625551857 /nfs/dbraw/zinc/55/18/57/625551857.db2.gz HGDFNIABWXOTBL-HYVNUMGLSA-N 1 0 276.424 3.361 20 10 CGCDRO CC[C@H](C)[C@@H](O)C[NH2+][C@@H](CC)c1ccc(N(C)C)cc1 ZINC000163954977 622809612 /nfs/dbraw/zinc/80/96/12/622809612.db2.gz OBIOZZRVXCLTQE-JQFCIGGWSA-N 1 0 278.440 3.200 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CCS[C@@H](C)[C@@H]2C)c1O ZINC000164345768 622829184 /nfs/dbraw/zinc/82/91/84/622829184.db2.gz IHTLUFLUDPHFLS-RYUDHWBXSA-N 1 0 281.421 3.035 20 10 CGCDRO CC[NH+](CC)Cc1cc(Br)cc(OC)c1O ZINC000156910455 622850792 /nfs/dbraw/zinc/85/07/92/622850792.db2.gz DYXVVFKUOYAOJO-UHFFFAOYSA-N 1 0 288.185 3.005 20 10 CGCDRO CC[C@H]([NH2+]CCc1ccc(CO)cc1)c1ccccc1O ZINC000157044028 622861530 /nfs/dbraw/zinc/86/15/30/622861530.db2.gz YBUGVFYNUTUXMH-KRWDZBQOSA-N 1 0 285.387 3.168 20 10 CGCDRO CCC1(C[NH2+]Cc2cc(OC)ccc2O)CCCC1 ZINC000224903978 622890817 /nfs/dbraw/zinc/89/08/17/622890817.db2.gz IRMHQJMHJQPTDE-UHFFFAOYSA-N 1 0 263.381 3.461 20 10 CGCDRO CS[C@@H]1CC[C@H]([NH2+]Cc2c(C)cccc2O)C1 ZINC000877068027 622931279 /nfs/dbraw/zinc/93/12/79/622931279.db2.gz LRWBPWOFHMARKF-NWDGAFQWSA-N 1 0 251.395 3.074 20 10 CGCDRO CCOc1cccc(C[NH2+]C[C@@H]2CCCCS2)c1O ZINC000157913731 622978857 /nfs/dbraw/zinc/97/88/57/622978857.db2.gz XFMIQGPFHAOXTR-ZDUSSCGKSA-N 1 0 281.421 3.166 20 10 CGCDRO CSCC[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000168787724 623014623 /nfs/dbraw/zinc/01/46/23/623014623.db2.gz ZDLOECZIKKFOGE-UWVGGRQHSA-N 1 0 257.374 3.324 20 10 CGCDRO COC1CCC([NH2+]Cc2ccc(N(C)C)cc2C)CC1 ZINC000753566855 623054304 /nfs/dbraw/zinc/05/43/04/623054304.db2.gz VUORPXZHQWDDJP-UHFFFAOYSA-N 1 0 276.424 3.108 20 10 CGCDRO C[C@@H]1OCC[C@]1(C)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000230150815 623214236 /nfs/dbraw/zinc/21/42/36/623214236.db2.gz UFGFZXJQHWHNMJ-YJBOKZPZSA-N 1 0 288.435 3.334 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CC[C@@H](SC)C2)c1 ZINC000230664491 623261628 /nfs/dbraw/zinc/26/16/28/623261628.db2.gz MNZQRPMTAKMQBD-GMXVVIOVSA-N 1 0 281.421 3.336 20 10 CGCDRO CS[C@@H]1CC[C@H]([NH2+]Cc2cc(C)ccc2O)C1 ZINC000230699555 623263591 /nfs/dbraw/zinc/26/35/91/623263591.db2.gz QUZHRFPCIWHUPL-QWHCGFSZSA-N 1 0 251.395 3.074 20 10 CGCDRO C[C@H]1Cc2ccccc2C[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000172927568 623294836 /nfs/dbraw/zinc/29/48/36/623294836.db2.gz VKFSHZBJERGOJV-LBPRGKRZSA-N 1 0 297.354 3.068 20 10 CGCDRO CC(C)C[C@H](C[NH2+]Cc1c(O)cccc1Cl)N(C)C ZINC000083551792 625645427 /nfs/dbraw/zinc/64/54/27/625645427.db2.gz CNIHYLSCXOYATN-GFCCVEGCSA-N 1 0 284.831 3.112 20 10 CGCDRO COc1cccc(C[NH2+][C@H]2CCCCC[C@H]2C)c1O ZINC000088507131 623462907 /nfs/dbraw/zinc/46/29/07/623462907.db2.gz KHFMOEZWUXCTLT-OCCSQVGLSA-N 1 0 263.381 3.459 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CC(C)(C)N(C)C)cc1 ZINC000152598655 623692936 /nfs/dbraw/zinc/69/29/36/623692936.db2.gz KOLGFDNPKROJKR-CQSZACIVSA-N 1 0 277.456 3.134 20 10 CGCDRO CCCC[NH2+]Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000916837094 624216482 /nfs/dbraw/zinc/21/64/82/624216482.db2.gz PBCGJRWSLMWQMV-KBPBESRZSA-N 1 0 294.414 3.329 20 10 CGCDRO CCCC[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000916837102 624216637 /nfs/dbraw/zinc/21/66/37/624216637.db2.gz PBCGJRWSLMWQMV-ZIAGYGMSSA-N 1 0 294.414 3.329 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCc3ccccc3C2)c1 ZINC000154429860 624283859 /nfs/dbraw/zinc/28/38/59/624283859.db2.gz IVPKUNCZLLGYBC-UHFFFAOYSA-N 1 0 253.345 3.259 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CC2(Cl)Cl)cc1 ZINC000920956555 624556884 /nfs/dbraw/zinc/55/68/84/624556884.db2.gz MSQHLAAPZBBMEK-LLVKDONJSA-N 1 0 273.207 3.036 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1cccnc1 ZINC000921490769 624595217 /nfs/dbraw/zinc/59/52/17/624595217.db2.gz RCYYIABGVIULKQ-ZDUSSCGKSA-N 1 0 268.360 3.257 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCOC3(CCCCC3)C2)c1 ZINC000179936155 624697967 /nfs/dbraw/zinc/69/79/67/624697967.db2.gz JVFWMWMTJJVNOF-UHFFFAOYSA-N 1 0 275.392 3.236 20 10 CGCDRO Cc1cccc(C[N@H+]2CC[C@@H](OCCC(C)C)C2)c1O ZINC000180295643 624734350 /nfs/dbraw/zinc/73/43/50/624734350.db2.gz SBGMMRJMZDCXIB-MRXNPFEDSA-N 1 0 277.408 3.338 20 10 CGCDRO CC(C)C[NH+]1CCN(Cc2c(O)ccc3ccccc32)CC1 ZINC000069005261 624776328 /nfs/dbraw/zinc/77/63/28/624776328.db2.gz KUNISQUEYUYLFA-UHFFFAOYSA-N 1 0 298.430 3.319 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CCc3cc(F)ccc3C2)c1 ZINC000181442998 624860850 /nfs/dbraw/zinc/86/08/50/624860850.db2.gz YZTDHXWRHUFIHS-UHFFFAOYSA-N 1 0 287.334 3.098 20 10 CGCDRO CSCC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000070185429 624974840 /nfs/dbraw/zinc/97/48/40/624974840.db2.gz ORTJIQAVFKRKOG-UHFFFAOYSA-N 1 0 264.438 3.130 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H](C)C2CCCC2)c1O ZINC000070305839 624996271 /nfs/dbraw/zinc/99/62/71/624996271.db2.gz NQOJSNLGAYPUGI-LBPRGKRZSA-N 1 0 263.381 3.459 20 10 CGCDRO C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC000075582741 625182804 /nfs/dbraw/zinc/18/28/04/625182804.db2.gz ARRGNVDPPDXZSA-OLZOCXBDSA-N 1 0 271.360 3.155 20 10 CGCDRO CCCCCC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000076275545 625208554 /nfs/dbraw/zinc/20/85/54/625208554.db2.gz DZKNSWUUABWBBT-UHFFFAOYSA-N 1 0 290.451 3.318 20 10 CGCDRO C[C@H]([NH2+]CC(C)(C)N1CCCCC1)c1cc(F)ccc1O ZINC000184847783 625277324 /nfs/dbraw/zinc/27/73/24/625277324.db2.gz RWHSZXKAJPKHTI-ZDUSSCGKSA-N 1 0 294.414 3.446 20 10 CGCDRO c1cc2c(c(C[NH2+]Cc3ccc4c(c3)CCO4)n1)CCCC2 ZINC000921651408 625807159 /nfs/dbraw/zinc/80/71/59/625807159.db2.gz QUSOYAMSPNQGGX-UHFFFAOYSA-N 1 0 294.398 3.185 20 10 CGCDRO CS[C@@H]1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000921792664 625877017 /nfs/dbraw/zinc/87/70/17/625877017.db2.gz PGIWWENOQPPKNX-HUUCEWRRSA-N 1 0 277.433 3.385 20 10 CGCDRO Cc1ncc(CC[NH2+]Cc2ccc3c(c2)CCCO3)s1 ZINC000921913298 625926676 /nfs/dbraw/zinc/92/66/76/625926676.db2.gz FZVOBYCBFVSJLI-UHFFFAOYSA-N 1 0 288.416 3.109 20 10 CGCDRO CCO[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2ccccc2O)C1 ZINC000922329651 625998659 /nfs/dbraw/zinc/99/86/59/625998659.db2.gz PBOLQKYRYIWWDM-BFHYXJOUSA-N 1 0 263.381 3.391 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CC2(O)CCCCC2)c(O)c1 ZINC000087017633 626158397 /nfs/dbraw/zinc/15/83/97/626158397.db2.gz OVZVJTIDRNKELT-ZDUSSCGKSA-N 1 0 263.381 3.046 20 10 CGCDRO C[C@@H]([NH2+][C@H](C)C(C)(C)O)c1cc2c(cc1O)CCCC2 ZINC000756820373 626168921 /nfs/dbraw/zinc/16/89/21/626168921.db2.gz VWUSWIDFYACDDV-VXGBXAGGSA-N 1 0 277.408 3.081 20 10 CGCDRO Cc1ncc(C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)o1 ZINC000840794553 626244990 /nfs/dbraw/zinc/24/49/90/626244990.db2.gz LGTJQNZYHQCEKQ-UFBFGSQYSA-N 1 0 276.311 3.166 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](C)c2ccn(C)n2)cc1 ZINC000840816446 626273997 /nfs/dbraw/zinc/27/39/97/626273997.db2.gz NIQVOKIDNNFYGY-KGLIPLIRSA-N 1 0 286.423 3.288 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CO[C@@H](C)C1)c1cc(Cl)ccc1O ZINC000842927805 626291837 /nfs/dbraw/zinc/29/18/37/626291837.db2.gz GVKQJZPVFSMLNH-GAFUQQFSSA-N 1 0 269.772 3.264 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)cc1F ZINC000839190634 626328111 /nfs/dbraw/zinc/32/81/11/626328111.db2.gz JBJZZYRDEQTNIZ-IPYPFGDCSA-N 1 0 262.372 3.170 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2cnc(C)o2)cc1 ZINC000840797214 626354469 /nfs/dbraw/zinc/35/44/69/626354469.db2.gz QHEJDUFVZCUBJW-LBPRGKRZSA-N 1 0 273.380 3.290 20 10 CGCDRO COCC[C@H](Cc1ccco1)[NH2+][C@@H](C)c1ccccc1O ZINC000753741315 626464134 /nfs/dbraw/zinc/46/41/34/626464134.db2.gz JWOKSVBLUSPLSQ-UONOGXRCSA-N 1 0 289.375 3.284 20 10 CGCDRO COc1ccc(N2CC[NH+](CC3CCCC3)CC2)cc1F ZINC000753861712 626467888 /nfs/dbraw/zinc/46/78/88/626467888.db2.gz USVVWFSGNZSHIG-UHFFFAOYSA-N 1 0 292.398 3.147 20 10 CGCDRO COc1cc(C)cc(C[N@@H+]2CC[C@@H](c3ccco3)C2)c1O ZINC000754725988 626585193 /nfs/dbraw/zinc/58/51/93/626585193.db2.gz IYLXHEWMRLNOSW-CYBMUJFWSA-N 1 0 287.359 3.292 20 10 CGCDRO CCN1CCC[C@@H]1C[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756357742 626695744 /nfs/dbraw/zinc/69/57/44/626695744.db2.gz PGKJZBLDRRMWGA-SCRDCRAPSA-N 1 0 292.398 3.154 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCN2Cc3ccccc3C2)c(O)c1 ZINC000756481391 626708256 /nfs/dbraw/zinc/70/82/56/626708256.db2.gz XMWBTJMVJAKTIK-HNNXBMFYSA-N 1 0 296.414 3.367 20 10 CGCDRO COCCCCC[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756496321 626709793 /nfs/dbraw/zinc/70/97/93/626709793.db2.gz GHLOIRIVQRCVNL-WCQYABFASA-N 1 0 281.371 3.486 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]CC2(O)CCCCC2)c2c1c(F)ccc2O ZINC000756513402 626711087 /nfs/dbraw/zinc/71/10/87/626711087.db2.gz IOSCKVHBHULCBS-YPMHNXCESA-N 1 0 293.382 3.364 20 10 CGCDRO CC[C@H](C)N(C)CC[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756529289 626712605 /nfs/dbraw/zinc/71/26/05/626712605.db2.gz RPHOHFIYZZREQD-SGMGOOAPSA-N 1 0 294.414 3.400 20 10 CGCDRO CC[C@H](C)[C@@](C)(O)C[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000756576802 626717497 /nfs/dbraw/zinc/71/74/97/626717497.db2.gz PARDEROACAMPFW-PGUXBMHVSA-N 1 0 285.815 3.493 20 10 CGCDRO CC[C@@H]([NH2+]CCCSc1nccs1)c1ccn(C)n1 ZINC000756585866 626718743 /nfs/dbraw/zinc/71/87/43/626718743.db2.gz NWESBXKAUHKTMX-LLVKDONJSA-N 1 0 296.465 3.100 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]CC(C)(C)CCO)c2c1c(F)ccc2O ZINC000756619913 626721348 /nfs/dbraw/zinc/72/13/48/626721348.db2.gz ZAXYZZQJHJGKMV-ZYHUDNBSSA-N 1 0 281.371 3.078 20 10 CGCDRO CC[C@H](C[C@H](C)CO)[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000756624283 626721396 /nfs/dbraw/zinc/72/13/96/626721396.db2.gz DYGKPMYINIAGDZ-MELADBBJSA-N 1 0 265.397 3.148 20 10 CGCDRO COC(C)(C)C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000756647815 626724219 /nfs/dbraw/zinc/72/42/19/626724219.db2.gz VAXAWFYLOZMDKQ-LBPRGKRZSA-N 1 0 277.408 3.347 20 10 CGCDRO CO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(C)c(C)c2O)C1(C)C ZINC000756649314 626724797 /nfs/dbraw/zinc/72/47/97/626724797.db2.gz OQENRLJQKMYCMB-NWANDNLSSA-N 1 0 277.408 3.473 20 10 CGCDRO CC[C@@H](O)CCC[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000756733006 626728488 /nfs/dbraw/zinc/72/84/88/626728488.db2.gz LVZKUENSTGNMDX-CZUORRHYSA-N 1 0 291.435 3.473 20 10 CGCDRO CS[C@H](C)C[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756767355 626730220 /nfs/dbraw/zinc/73/02/20/626730220.db2.gz GLAXWNLBZMGMSV-NGZCFLSTSA-N 1 0 269.385 3.421 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ncccc2F)c1 ZINC000756770382 626730648 /nfs/dbraw/zinc/73/06/48/626730648.db2.gz UXBZDVNFTSCGIF-NSHDSACASA-N 1 0 260.312 3.086 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F)c1cn[nH]c1 ZINC000756774880 626731266 /nfs/dbraw/zinc/73/12/66/626731266.db2.gz DRRYZDZJVHSDFZ-KBVBSXBZSA-N 1 0 275.327 3.154 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2[C@H](C)[C@H](OC)C2(C)C)c1 ZINC000756789666 626732688 /nfs/dbraw/zinc/73/26/88/626732688.db2.gz HXPIENNIWSLLQY-QMMBQJITSA-N 1 0 293.407 3.111 20 10 CGCDRO CC[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000840823260 626760892 /nfs/dbraw/zinc/76/08/92/626760892.db2.gz YWUKHNNHQPYTKA-YUELXQCFSA-N 1 0 263.381 3.227 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](C)C(C)(C)C2)cc1OC ZINC000758998384 626869615 /nfs/dbraw/zinc/86/96/15/626869615.db2.gz BSOZCJGCIMMUHE-LBPRGKRZSA-N 1 0 293.407 3.277 20 10 CGCDRO COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc3c(c1)CCO3)CC2 ZINC000765607311 627262378 /nfs/dbraw/zinc/26/23/78/627262378.db2.gz ACRMMTAOYDXVDW-GOSISDBHSA-N 1 0 295.382 3.407 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cc(C)n[nH]1)c1ccc(N(C)C)cc1 ZINC000766085521 627293520 /nfs/dbraw/zinc/29/35/20/627293520.db2.gz UMTWATVIUCNKIC-MRXNPFEDSA-N 1 0 272.396 3.025 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H](OC)C(C)C)cc1 ZINC000766366826 627323634 /nfs/dbraw/zinc/32/36/34/627323634.db2.gz PKPZDRYBPICCAO-YOEHRIQHSA-N 1 0 278.440 3.464 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H](OC)C(C)C)c1ccc(N(C)C)cc1 ZINC000766366217 627323719 /nfs/dbraw/zinc/32/37/19/627323719.db2.gz MVOAJFCIVWGQEH-SJORKVTESA-N 1 0 278.440 3.464 20 10 CGCDRO CCOc1ccc(C[NH2+][C@@H]2CCCC(F)(F)C2)c(O)c1 ZINC000767929166 627444863 /nfs/dbraw/zinc/44/48/63/627444863.db2.gz KKQDTPZJQQWFBS-GFCCVEGCSA-N 1 0 285.334 3.458 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000768356013 627475684 /nfs/dbraw/zinc/47/56/84/627475684.db2.gz VHQQOGMZRHVXBJ-HNNXBMFYSA-N 1 0 284.359 3.133 20 10 CGCDRO COCC[N@H+](Cc1ccc(N(C)C)c(F)c1)C1CCCC1 ZINC000768577914 627487351 /nfs/dbraw/zinc/48/73/51/627487351.db2.gz IXYLBWANGIFDNW-UHFFFAOYSA-N 1 0 294.414 3.283 20 10 CGCDRO CCOc1ccc(C[NH2+]C2(C)Cc3ccccc3C2)c(O)c1 ZINC000768656831 627490949 /nfs/dbraw/zinc/49/09/49/627490949.db2.gz QEJFHUPRIPLJSV-UHFFFAOYSA-N 1 0 297.398 3.438 20 10 CGCDRO Oc1ccc2c(c1)CN(Cc1cc(Cl)ccc1O)CC2 ZINC000768869630 627504698 /nfs/dbraw/zinc/50/46/98/627504698.db2.gz WMKVEFVQRJGCFG-UHFFFAOYSA-N 1 0 289.762 3.310 20 10 CGCDRO CCOc1ccc(O)c(C[N@H+](C)C2Cc3ccccc3C2)c1 ZINC000769034499 627518898 /nfs/dbraw/zinc/51/88/98/627518898.db2.gz RCIFOYAWYUXLAF-UHFFFAOYSA-N 1 0 297.398 3.390 20 10 CGCDRO CCOc1ccc(C[N@@H+]2CCS[C@@H](CC)C2)c(O)c1 ZINC000769445154 627552831 /nfs/dbraw/zinc/55/28/31/627552831.db2.gz FQZCHRSLOCJTGM-AWEZNQCLSA-N 1 0 281.421 3.118 20 10 CGCDRO CC[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)C1CCC1 ZINC000769466101 627556537 /nfs/dbraw/zinc/55/65/37/627556537.db2.gz HYUDVZQUOJFUQB-UHFFFAOYSA-N 1 0 292.398 3.037 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000769498570 627560629 /nfs/dbraw/zinc/56/06/29/627560629.db2.gz LOGNGFWWHIAROE-XJKSGUPXSA-N 1 0 293.432 3.261 20 10 CGCDRO CC(C)[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)CCS1 ZINC000769547944 627564495 /nfs/dbraw/zinc/56/44/95/627564495.db2.gz FNVWRNXEPLIBMP-INIZCTEOSA-N 1 0 278.465 3.326 20 10 CGCDRO CCOc1ccc(C[N@H+](C)[C@@H](C)C2(C)CC2)c(O)c1 ZINC000770288557 627611918 /nfs/dbraw/zinc/61/19/18/627611918.db2.gz MWYHMRRNZNXYBK-LBPRGKRZSA-N 1 0 263.381 3.411 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000770285229 627612038 /nfs/dbraw/zinc/61/20/38/627612038.db2.gz FPQDERKVJJMZTA-BXUZGUMPSA-N 1 0 281.783 3.047 20 10 CGCDRO C[C@H]1CC[C@H](C)[NH+]1Cc1ccc(N(C)C)c(F)c1 ZINC000770309970 627612714 /nfs/dbraw/zinc/61/27/14/627612714.db2.gz BJCCCTQJKNJVMZ-RYUDHWBXSA-N 1 0 250.361 3.265 20 10 CGCDRO Oc1ccccc1CN(Cc1cc[nH]n1)Cc1ccccc1 ZINC000770509516 627623980 /nfs/dbraw/zinc/62/39/80/627623980.db2.gz BYIPFGFJVHFTTF-UHFFFAOYSA-N 1 0 293.370 3.318 20 10 CGCDRO COc1ccsc1C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000771935176 627746270 /nfs/dbraw/zinc/74/62/70/627746270.db2.gz MSTIQPWUIIKUEP-UHFFFAOYSA-N 1 0 290.432 3.455 20 10 CGCDRO CCOc1ccc(O)c(C[N@H+](C)Cc2cccc(O)c2)c1 ZINC000771934979 627746525 /nfs/dbraw/zinc/74/65/25/627746525.db2.gz GGOWNWRSZLULSA-UHFFFAOYSA-N 1 0 287.359 3.129 20 10 CGCDRO COc1ccc(N2CCC([NH2+]C[C@@H]3CC3(C)C)CC2)cc1 ZINC000772978102 627837192 /nfs/dbraw/zinc/83/71/92/627837192.db2.gz QTONBSAJVSHBCY-AWEZNQCLSA-N 1 0 288.435 3.300 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCS[C@H](C)[C@@H]2C)cc1 ZINC000773750922 627910675 /nfs/dbraw/zinc/91/06/75/627910675.db2.gz FPYAWMNUXOSHGV-UONOGXRCSA-N 1 0 278.465 3.469 20 10 CGCDRO CCOC[C@@H]1CCC[N@H+](Cc2ccc(N(C)CC)cc2)C1 ZINC000773754519 627911384 /nfs/dbraw/zinc/91/13/84/627911384.db2.gz GZUGOQZACMHUES-QGZVFWFLSA-N 1 0 290.451 3.391 20 10 CGCDRO CCN(C)c1ccc(C[NH+]2C[C@H](C)S[C@@H](C)C2)cc1 ZINC000773756711 627911591 /nfs/dbraw/zinc/91/15/91/627911591.db2.gz YJCKPYYGJTXJMO-KBPBESRZSA-N 1 0 278.465 3.469 20 10 CGCDRO CC[C@H]1C[N@H+](Cc2ccc(N(C)CC)cc2)C[C@H](C)O1 ZINC000773757870 627912185 /nfs/dbraw/zinc/91/21/85/627912185.db2.gz QSYASQZRSBJPHZ-YOEHRIQHSA-N 1 0 276.424 3.142 20 10 CGCDRO CCN(C)c1ccc(C[N@H+](C)[C@]2(CO)CC[C@H](C)C2)cc1 ZINC000773861894 627920921 /nfs/dbraw/zinc/92/09/21/627920921.db2.gz ACZJIVMTBPBYDA-MAUKXSAKSA-N 1 0 290.451 3.126 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)c1ccnn1C ZINC000774160176 627953298 /nfs/dbraw/zinc/95/32/98/627953298.db2.gz TZJQQHAZOIEGTR-HNNXBMFYSA-N 1 0 298.434 3.261 20 10 CGCDRO CCCN(Cc1occc1C)c1ccc(C[NH3+])cc1 ZINC000775140651 628066965 /nfs/dbraw/zinc/06/69/65/628066965.db2.gz OSSKICSLFZBHPV-UHFFFAOYSA-N 1 0 258.365 3.463 20 10 CGCDRO CCCN(Cc1n[nH]c2ccccc21)c1ccc(C[NH3+])cc1 ZINC000775136878 628067093 /nfs/dbraw/zinc/06/70/93/628067093.db2.gz NZEXJVRSSCJCJD-UHFFFAOYSA-N 1 0 294.402 3.438 20 10 CGCDRO CC(C)n1ccc(C[NH2+][C@@H](C)c2ccccc2O)n1 ZINC000775136530 628067397 /nfs/dbraw/zinc/06/73/97/628067397.db2.gz KQRVUIZMOKZGBU-LBPRGKRZSA-N 1 0 259.353 3.020 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000775361294 628086120 /nfs/dbraw/zinc/08/61/20/628086120.db2.gz CIQVWQRYWROHBR-CYBMUJFWSA-N 1 0 285.391 3.012 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](C)COC)c1cc(Cl)ccc1O ZINC000775483227 628097990 /nfs/dbraw/zinc/09/79/90/628097990.db2.gz POFACPGLRBYVBG-JOYOIKCWSA-N 1 0 257.761 3.121 20 10 CGCDRO CC[C@H](CCO)C[NH2+][C@H](CC)c1cc(Cl)ccc1O ZINC000775513905 628102423 /nfs/dbraw/zinc/10/24/23/628102423.db2.gz WFANCYIMARHQEL-BXUZGUMPSA-N 1 0 285.815 3.495 20 10 CGCDRO CC[C@H](C[C@H](C)CO)[NH2+][C@H](CC)c1ccccc1O ZINC000775512391 628102486 /nfs/dbraw/zinc/10/24/86/628102486.db2.gz KGXQFBGMQVVAGB-GZBFAFLISA-N 1 0 265.397 3.230 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(F)cn1)c1ccccc1O ZINC000775514171 628102552 /nfs/dbraw/zinc/10/25/52/628102552.db2.gz RGUAJWXLVJRRDB-AWEZNQCLSA-N 1 0 260.312 3.167 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)Cn1cccn1)c1cc(Cl)ccc1O ZINC000775519124 628103315 /nfs/dbraw/zinc/10/33/15/628103315.db2.gz IRGNPPBKSSRSDK-RISCZKNCSA-N 1 0 293.798 3.372 20 10 CGCDRO CC[C@H]([NH2+]CC(C)(C)CO)c1cc(Cl)ccc1O ZINC000775521938 628103506 /nfs/dbraw/zinc/10/35/06/628103506.db2.gz FSIZRXYITLHWGH-LBPRGKRZSA-N 1 0 271.788 3.105 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1[C@H](C)[C@@H](OC)C1(C)C)c1ccccc1O ZINC000775532835 628104096 /nfs/dbraw/zinc/10/40/96/628104096.db2.gz ZKDQUMPHHGRLMH-DDUYRFODSA-N 1 0 277.408 3.492 20 10 CGCDRO C[C@@H]([NH2+]CCc1ccc(CO)cc1)c1ccc(N(C)C)cc1 ZINC000776166596 628174377 /nfs/dbraw/zinc/17/43/77/628174377.db2.gz CWPGSJVUFWMMLQ-OAHLLOKOSA-N 1 0 298.430 3.138 20 10 CGCDRO COc1cc(O)c(C[NH2+]C[C@@H](C)C(C)(C)C)cc1OC ZINC000776175184 628176732 /nfs/dbraw/zinc/17/67/32/628176732.db2.gz MDGMIYXRAXQBAI-LLVKDONJSA-N 1 0 281.396 3.181 20 10 CGCDRO CO[C@H](C[NH2+]Cc1cc(Cl)cc(C)c1O)C(C)C ZINC000776219804 628182284 /nfs/dbraw/zinc/18/22/84/628182284.db2.gz HOZOHVYEKLBKAF-CYBMUJFWSA-N 1 0 271.788 3.115 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H](C)CCc2ccc(C)o2)c1 ZINC000776221020 628182503 /nfs/dbraw/zinc/18/25/03/628182503.db2.gz SLXVKZDUKAMZMW-LBPRGKRZSA-N 1 0 289.375 3.413 20 10 CGCDRO COc1ccc(C[NH2+]Cc2cccc(OC)c2O)c(C)c1 ZINC000776253628 628185507 /nfs/dbraw/zinc/18/55/07/628185507.db2.gz UNAFLBRWIARQPL-UHFFFAOYSA-N 1 0 287.359 3.008 20 10 CGCDRO CC[C@H]([NH2+]Cc1cncn1C)c1cc(Cl)ccc1O ZINC000810243374 628241286 /nfs/dbraw/zinc/24/12/86/628241286.db2.gz NSIQWTWVFFMNHT-ZDUSSCGKSA-N 1 0 279.771 3.020 20 10 CGCDRO CN(CC[N@H+](C)Cc1cc(F)ccc1O)c1ccccc1 ZINC000779013909 628383531 /nfs/dbraw/zinc/38/35/31/628383531.db2.gz NMCJBFRSDRFUHH-UHFFFAOYSA-N 1 0 288.366 3.100 20 10 CGCDRO CCOC[C@H](C)[NH2+][C@@H](CC)c1ccc(N(C)C)cc1 ZINC000779071603 628386704 /nfs/dbraw/zinc/38/67/04/628386704.db2.gz HUHUVZBIBCYTKA-BBRMVZONSA-N 1 0 264.413 3.218 20 10 CGCDRO CC[C@H]1C[C@H](C[N@H+](C)Cc2ccccc2O)CCO1 ZINC000780756082 628514633 /nfs/dbraw/zinc/51/46/33/628514633.db2.gz BHEXRVNCFNTFKZ-HIFRSBDPSA-N 1 0 263.381 3.029 20 10 CGCDRO Cc1nccnc1[C@@H](C)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000783294266 628700248 /nfs/dbraw/zinc/70/02/48/628700248.db2.gz IWYASSDZHZDYGM-TZMCWYRMSA-N 1 0 284.407 3.263 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H]2CCC=CO2)cc1 ZINC000783310985 628702510 /nfs/dbraw/zinc/70/25/10/628702510.db2.gz RZSLLCBAQDRFKW-WMLDXEAASA-N 1 0 274.408 3.486 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1COc2ccccc2C1)c1ccccc1O ZINC000783505456 628718741 /nfs/dbraw/zinc/71/87/41/628718741.db2.gz WXRPUBHZOWOHHC-ZIAGYGMSSA-N 1 0 283.371 3.294 20 10 CGCDRO C[C@@H]([NH2+]C[C@]1(O)CCCc2ccccc21)c1ccccc1O ZINC000783511048 628719758 /nfs/dbraw/zinc/71/97/58/628719758.db2.gz WVKGUAJLOLYPNT-AUUYWEPGSA-N 1 0 297.398 3.267 20 10 CGCDRO C[C@H]([NH2+]CCC[C@H]1CCCC[C@H]1O)c1ccccc1O ZINC000783520188 628720615 /nfs/dbraw/zinc/72/06/15/628720615.db2.gz YXFNOZICJSGUDY-SQWLQELKSA-N 1 0 277.408 3.374 20 10 CGCDRO CCC1(O)CCC([NH2+][C@H](C)c2ccccc2O)CC1 ZINC000783518930 628720772 /nfs/dbraw/zinc/72/07/72/628720772.db2.gz FUMMDZPGOZAIAD-VEAWUBTESA-N 1 0 263.381 3.127 20 10 CGCDRO C[C@H]([NH2+][C@H](CO)[C@@H](C)c1ccccc1)c1ccccc1O ZINC000783522938 628721632 /nfs/dbraw/zinc/72/16/32/628721632.db2.gz SSSRBUZBKNAXMJ-GRDNDAEWSA-N 1 0 285.387 3.207 20 10 CGCDRO CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H](C)c2ccccc2O)C1(C)C ZINC000783526157 628722109 /nfs/dbraw/zinc/72/21/09/628722109.db2.gz RVYQOCCJFMDZPI-FDRIWYBQSA-N 1 0 263.381 3.102 20 10 CGCDRO Cc1ccc(O)c(C[N@H+]2Cc3ccccc3OC[C@H]2C)c1 ZINC000783597226 628730411 /nfs/dbraw/zinc/73/04/11/628730411.db2.gz KQXXLUJIRLAOIH-CQSZACIVSA-N 1 0 283.371 3.484 20 10 CGCDRO CC1(C)C[NH+](Cc2cc3c(cc2O)CCC3)CC(C)(C)O1 ZINC000785515044 628869098 /nfs/dbraw/zinc/86/90/98/628869098.db2.gz JRWDIFGTIQJHIV-UHFFFAOYSA-N 1 0 289.419 3.270 20 10 CGCDRO Cc1cc(CC[NH2+]Cc2ccc(N(C)C)cc2)cc(C)c1O ZINC000786826195 628966103 /nfs/dbraw/zinc/96/61/03/628966103.db2.gz CNWVPUUXSIYFFL-UHFFFAOYSA-N 1 0 298.430 3.407 20 10 CGCDRO CC[C@H]([NH2+]CCOCC(F)F)c1cc(Cl)ccc1O ZINC000788260342 629043165 /nfs/dbraw/zinc/04/31/65/629043165.db2.gz ZJSZCETVAXCKAE-NSHDSACASA-N 1 0 293.741 3.368 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCNc2cccc(C)n2)c(O)c1 ZINC000788669807 629071422 /nfs/dbraw/zinc/07/14/22/629071422.db2.gz PIALOVLEFWEXHV-HNNXBMFYSA-N 1 0 299.418 3.475 20 10 CGCDRO CCC(CC)(CO)C[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000788673779 629071986 /nfs/dbraw/zinc/07/19/86/629071986.db2.gz XZVJTLISNRHJDH-AWEZNQCLSA-N 1 0 279.424 3.458 20 10 CGCDRO Cc1ccc(C[N@@H+](C)Cc2cc(C)ccc2O)nc1 ZINC000789588853 629148202 /nfs/dbraw/zinc/14/82/02/629148202.db2.gz HJUDNXDZABWMHH-UHFFFAOYSA-N 1 0 256.349 3.036 20 10 CGCDRO CCOc1ccc(O)c(C[N@H+](C)Cc2ccc(C)cn2)c1 ZINC000789590571 629148874 /nfs/dbraw/zinc/14/88/74/629148874.db2.gz UJFFGNNCGHNRCO-UHFFFAOYSA-N 1 0 286.375 3.126 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCO[C@H](C(C)(C)C)C2)c1 ZINC000790410160 629209509 /nfs/dbraw/zinc/20/95/09/629209509.db2.gz AKXFMELTNUUAKU-HNNXBMFYSA-N 1 0 277.408 3.256 20 10 CGCDRO CN1CCCC(C)(C)[C@@H]1C[NH2+]Cc1c(O)cccc1Cl ZINC000790485460 629212772 /nfs/dbraw/zinc/21/27/72/629212772.db2.gz LVBQZAZFLUGDPJ-HNNXBMFYSA-N 1 0 296.842 3.256 20 10 CGCDRO CN(C)c1cc(F)c(CN(C)Cc2ccoc2)cc1F ZINC000862232110 629327344 /nfs/dbraw/zinc/32/73/44/629327344.db2.gz PIYRVFGKKUQDFK-UHFFFAOYSA-N 1 0 280.318 3.256 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)C1CC(F)(F)C1 ZINC000862263215 629334550 /nfs/dbraw/zinc/33/45/50/629334550.db2.gz RWMORXSMFPMRSZ-LLVKDONJSA-N 1 0 268.351 3.276 20 10 CGCDRO CCC[N@H+](Cc1cc(C)ccc1O)[C@@H](CC)C(=O)OCC ZINC000792185259 629346652 /nfs/dbraw/zinc/34/66/52/629346652.db2.gz CVZJMOFJGQAPKO-HNNXBMFYSA-N 1 0 293.407 3.254 20 10 CGCDRO CCC(O)(CC)C[N@H+](C)Cc1ccc(N(C)C)cc1C ZINC000862540023 629396443 /nfs/dbraw/zinc/39/64/43/629396443.db2.gz XEHUYXCLXBYMHL-UHFFFAOYSA-N 1 0 278.440 3.044 20 10 CGCDRO CO[C@H]1CCC[C@@H]([NH2+]CCCSc2nccs2)C1 ZINC000792993601 629400814 /nfs/dbraw/zinc/40/08/14/629400814.db2.gz VSFLXGHDCJBXOP-NEPJUHHUSA-N 1 0 286.466 3.173 20 10 CGCDRO Cc1ccncc1C[N@@H+](C)Cc1cc(C)c(C)cc1O ZINC000793335249 629444647 /nfs/dbraw/zinc/44/46/47/629444647.db2.gz CPFPTTBGTJPIDM-UHFFFAOYSA-N 1 0 270.376 3.344 20 10 CGCDRO COc1ccc(C[NH2+]Cc2ccc(F)cc2C)c(O)c1 ZINC000793386049 629452844 /nfs/dbraw/zinc/45/28/44/629452844.db2.gz IFCMPJADFZRFGJ-UHFFFAOYSA-N 1 0 275.323 3.138 20 10 CGCDRO COc1ccc(C[NH2+]C[C@@H]2C(C)=CCC[C@H]2C)c(O)c1 ZINC000793387457 629453055 /nfs/dbraw/zinc/45/30/55/629453055.db2.gz FBKIBANBIWQQMY-CZUORRHYSA-N 1 0 275.392 3.483 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCC2(C)C)cc1F ZINC000793530802 629477528 /nfs/dbraw/zinc/47/75/28/629477528.db2.gz YKXBVECTGMYYPZ-CQSZACIVSA-N 1 0 250.361 3.170 20 10 CGCDRO Oc1cccc(Cl)c1C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000793620061 629491178 /nfs/dbraw/zinc/49/11/78/629491178.db2.gz KHLKBZMLZMFNFV-HNNXBMFYSA-N 1 0 281.783 3.048 20 10 CGCDRO CSC[C@H]1CCC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000793798725 629502293 /nfs/dbraw/zinc/50/22/93/629502293.db2.gz YVEOKXAVNIVGFO-ZDUSSCGKSA-N 1 0 291.460 3.456 20 10 CGCDRO C[C@@]1(O)CCC[N@H+](Cc2cc3c(cc2O)CCCC3)CC1 ZINC000794673255 629565132 /nfs/dbraw/zinc/56/51/32/629565132.db2.gz SMCBVBORCIALFV-GOSISDBHSA-N 1 0 289.419 3.008 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H](O)c1ccco1)c1ccc(C)cc1O ZINC000794796965 629577610 /nfs/dbraw/zinc/57/76/10/629577610.db2.gz YTMVIXPYTXTRPJ-UKRRQHHQSA-N 1 0 275.348 3.068 20 10 CGCDRO CC[C@H]([NH2+]CCN(CC)C1CC1)c1ccc(C)cc1O ZINC000794802704 629579033 /nfs/dbraw/zinc/57/90/33/629579033.db2.gz GKYPZNPPLDZWMO-INIZCTEOSA-N 1 0 276.424 3.226 20 10 CGCDRO CC[C@@H]([NH2+][C@H](CO)CC1CCC1)c1ccc(N(C)C)cc1 ZINC000794830960 629583026 /nfs/dbraw/zinc/58/30/26/629583026.db2.gz AUDKRLVPFCGMSY-FUHWJXTLSA-N 1 0 290.451 3.344 20 10 CGCDRO CC[N@@H+](Cc1cccc(Br)c1[O-])CC1CC1 ZINC000125655931 634748880 /nfs/dbraw/zinc/74/88/80/634748880.db2.gz UJNTZTKHJBSSOE-UHFFFAOYSA-N 1 0 284.197 3.387 20 10 CGCDRO C[C@H]([NH2+]Cc1cc(Br)ccc1O)C1CCC1 ZINC000119616002 629668298 /nfs/dbraw/zinc/66/82/98/629668298.db2.gz XNXCJAFZBQSWFI-VIFPVBQESA-N 1 0 284.197 3.433 20 10 CGCDRO Cc1ccc([C@H](O)[C@@H](C)[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000796480479 629788761 /nfs/dbraw/zinc/78/87/61/629788761.db2.gz MDLGPFSOTUBDPF-AUUYWEPGSA-N 1 0 297.398 3.142 20 10 CGCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)C1CCCCC1 ZINC000120126503 629874325 /nfs/dbraw/zinc/87/43/25/629874325.db2.gz PFUHPJPLUXLZLV-UHFFFAOYSA-N 1 0 288.435 3.288 20 10 CGCDRO CCCN1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000797114081 629890288 /nfs/dbraw/zinc/89/02/88/629890288.db2.gz NYFLQIUJEPXMIG-YJBOKZPZSA-N 1 0 289.467 3.278 20 10 CGCDRO Fc1cncc([C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C2CC2)c1 ZINC000798926419 630125553 /nfs/dbraw/zinc/12/55/53/630125553.db2.gz JPHRVIAEGHEQKS-SFHVURJKSA-N 1 0 298.361 3.397 20 10 CGCDRO C[C@H]1CCC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000799390735 630177139 /nfs/dbraw/zinc/17/71/39/630177139.db2.gz QUPXDVKFFJDUGO-LBPRGKRZSA-N 1 0 256.349 3.172 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCC[C@H]3C[C@]32C)cc1 ZINC000800472781 630282874 /nfs/dbraw/zinc/28/28/74/630282874.db2.gz AOMZNOJAZQHVEP-USXIJHARSA-N 1 0 258.409 3.421 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](CCO)C2CC2)c1O ZINC000808707127 630296167 /nfs/dbraw/zinc/29/61/67/630296167.db2.gz DWDTXCDGJWESQC-YGRLFVJLSA-N 1 0 283.799 3.166 20 10 CGCDRO CCOc1cccc(C[NH2+][C@H](C)c2cnc(C)s2)c1O ZINC000865701878 630396902 /nfs/dbraw/zinc/39/69/02/630396902.db2.gz RAWVCNZEHRVTJH-SNVBAGLBSA-N 1 0 292.404 3.407 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@](O)(C(F)F)C2)cc1C(C)C ZINC000840114218 630598853 /nfs/dbraw/zinc/59/88/53/630598853.db2.gz HAVPPKOPKZWLRX-MRXNPFEDSA-N 1 0 299.361 3.026 20 10 CGCDRO CCOC1CC([N@H+](C)Cc2cc3c(cc2O)CCCC3)C1 ZINC000808212638 630630586 /nfs/dbraw/zinc/63/05/86/630630586.db2.gz TYGPRAOETQLFPV-UHFFFAOYSA-N 1 0 289.419 3.270 20 10 CGCDRO CCN1CCC[C@@H]1C[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808672265 630662509 /nfs/dbraw/zinc/66/25/09/630662509.db2.gz HWXFRPCSJWGESL-TZMCWYRMSA-N 1 0 296.842 3.489 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H]2CCOC2)c1O ZINC000808679958 630664091 /nfs/dbraw/zinc/66/40/91/630664091.db2.gz FYLOPAPKDQSCJP-WDEREUQCSA-N 1 0 269.772 3.041 20 10 CGCDRO COCC[C@H](C)[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808689021 630664475 /nfs/dbraw/zinc/66/44/75/630664475.db2.gz XDGLRRMOQQFRLK-WDEREUQCSA-N 1 0 271.788 3.430 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CC(C)(C)CO)c1O ZINC000808708795 630667894 /nfs/dbraw/zinc/66/78/94/630667894.db2.gz QMXGDICTJVIAIN-SNVBAGLBSA-N 1 0 271.788 3.023 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)C[C@H](C)O)c1O ZINC000808713759 630669832 /nfs/dbraw/zinc/66/98/32/630669832.db2.gz PIUDJMIHMHRTIT-DCAQKATOSA-N 1 0 271.788 3.164 20 10 CGCDRO FCC[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809660708 630776975 /nfs/dbraw/zinc/77/69/75/630776975.db2.gz UMAOOVYBTQONKS-UHFFFAOYSA-N 1 0 284.378 3.308 20 10 CGCDRO Cc1ccc([C@H](O)[C@H](C)[NH2+]Cc2cccc(C)c2O)cc1 ZINC000809701342 630785793 /nfs/dbraw/zinc/78/57/93/630785793.db2.gz DOZOHZJCGLFSFN-KBXCAEBGSA-N 1 0 285.387 3.221 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)CCC3)CCC1(F)F ZINC000811778605 631119487 /nfs/dbraw/zinc/11/94/87/631119487.db2.gz CKCMUZLBTYKNJD-LLVKDONJSA-N 1 0 281.346 3.358 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]CCCCF)c2c1c(F)ccc2O ZINC000812736575 631300139 /nfs/dbraw/zinc/30/01/39/631300139.db2.gz NQWHVDACXOTSLZ-MWLCHTKSSA-N 1 0 255.308 3.419 20 10 CGCDRO CO[C@](C)(C[NH2+]Cc1cc(Cl)cc(C)c1O)C1CC1 ZINC000812772989 631305819 /nfs/dbraw/zinc/30/58/19/631305819.db2.gz UMXIEOBWDRCCNI-OAHLLOKOSA-N 1 0 283.799 3.259 20 10 CGCDRO C=Cc1ccc(CC[NH2+]Cc2c(O)cccc2OC)cc1 ZINC000812772179 631306077 /nfs/dbraw/zinc/30/60/77/631306077.db2.gz ATQDFPXXELBQKB-UHFFFAOYSA-N 1 0 283.371 3.376 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](CC)C[C@H](C)OC)cc1 ZINC000812808185 631317045 /nfs/dbraw/zinc/31/70/45/631317045.db2.gz ATMUECLRMSYORI-HNNXBMFYSA-N 1 0 278.440 3.390 20 10 CGCDRO CCOc1ccc(C[NH2+]CC(CC)(CC)OC)c(O)c1 ZINC000813793112 631462426 /nfs/dbraw/zinc/46/24/26/631462426.db2.gz JAEZNPHDVNJWNV-UHFFFAOYSA-N 1 0 281.396 3.086 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)[C@@H]1C ZINC000813857270 631470428 /nfs/dbraw/zinc/47/04/28/631470428.db2.gz RNCJHMJXJUZXAK-JTNHKYCSSA-N 1 0 250.361 3.026 20 10 CGCDRO CC[C@@H]([NH2+]CC(C)(C)COC)c1ccc(C)cc1O ZINC000813883990 631476375 /nfs/dbraw/zinc/47/63/75/631476375.db2.gz YYHIWJRGXOWDLM-CQSZACIVSA-N 1 0 265.397 3.414 20 10 CGCDRO Cc1cc(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)ccc1N(C)C ZINC000815061477 631708953 /nfs/dbraw/zinc/70/89/53/631708953.db2.gz WGGOFJMIYWINJS-AEFFLSMTSA-N 1 0 288.435 3.062 20 10 CGCDRO Cc1cc(C[NH2+][C@H]2Cc3cccc(O)c3C2)ccc1N(C)C ZINC000815102183 631718088 /nfs/dbraw/zinc/71/80/88/631718088.db2.gz FZAJUXKMOQAPHC-INIZCTEOSA-N 1 0 296.414 3.024 20 10 CGCDRO Cc1cc(C[N@@H+](CC2CCC2)[C@H](C)CO)ccc1N(C)C ZINC000815106572 631718708 /nfs/dbraw/zinc/71/87/08/631718708.db2.gz WFFODPIUZFUHKZ-OAHLLOKOSA-N 1 0 290.451 3.044 20 10 CGCDRO COc1ccc(C[NH2+]C[C@@]2(O)CCCC2(C)C)cc1C ZINC000815147329 631730443 /nfs/dbraw/zinc/73/04/43/631730443.db2.gz QTIZDEAIHRUQQB-KRWDZBQOSA-N 1 0 277.408 3.034 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CCC=CO2)c(O)c1 ZINC000815618449 631807040 /nfs/dbraw/zinc/80/70/40/631807040.db2.gz LWBKDOODMKYJSH-KBPBESRZSA-N 1 0 261.365 3.352 20 10 CGCDRO CC[NH+](CC)[C@@H]1CCN(Cc2ccc3ccccc3c2O)C1 ZINC000816484021 631990206 /nfs/dbraw/zinc/99/02/06/631990206.db2.gz NFMFEVYJSIVDKY-QGZVFWFLSA-N 1 0 298.430 3.462 20 10 CGCDRO CCc1nocc1C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000816484955 631990322 /nfs/dbraw/zinc/99/03/22/631990322.db2.gz UPRDNMVELAOLFC-UHFFFAOYSA-N 1 0 299.418 3.468 20 10 CGCDRO Oc1c(C[N@@H+]2CCOC3(CCC3)C2)ccc2ccccc21 ZINC000816514886 632001201 /nfs/dbraw/zinc/00/12/01/632001201.db2.gz JYQUQZOPEAOEKC-UHFFFAOYSA-N 1 0 283.371 3.300 20 10 CGCDRO Oc1c(C[NH2+]C[C@@H]2CCCOC2)ccc2ccccc21 ZINC000816536733 632005405 /nfs/dbraw/zinc/00/54/05/632005405.db2.gz IIBKUDUOZCSPFZ-ZDUSSCGKSA-N 1 0 271.360 3.062 20 10 CGCDRO COCCCC[NH2+]Cc1ccc2ccccc2c1O ZINC000816535034 632005927 /nfs/dbraw/zinc/00/59/27/632005927.db2.gz CPFLPFFBXPTMGG-UHFFFAOYSA-N 1 0 259.349 3.062 20 10 CGCDRO Oc1c(C[NH2+]Cc2nccs2)ccc2ccccc21 ZINC000816537123 632006364 /nfs/dbraw/zinc/00/63/64/632006364.db2.gz UFYLDWUWSNHQDZ-UHFFFAOYSA-N 1 0 270.357 3.292 20 10 CGCDRO C[C@@H](O)CC(C)(C)C[NH2+]Cc1ccc2ccccc2c1O ZINC000816552436 632010215 /nfs/dbraw/zinc/01/02/15/632010215.db2.gz MIFPMFZWPAAFSK-CYBMUJFWSA-N 1 0 287.403 3.432 20 10 CGCDRO C[C@H](O)[C@@H]1CCC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816564364 632013157 /nfs/dbraw/zinc/01/31/57/632013157.db2.gz COEVEDSMEQGISL-DZGCQCFKSA-N 1 0 285.387 3.138 20 10 CGCDRO C[C@]1(O)CCC[N@H+](Cc2ccc3ccccc3c2O)CC1 ZINC000816594673 632019268 /nfs/dbraw/zinc/01/92/68/632019268.db2.gz LXRSYSQUKOYAGT-SFHVURJKSA-N 1 0 285.387 3.282 20 10 CGCDRO COc1ccncc1C[NH2+]Cc1ccc2ccccc2c1O ZINC000816618828 632024967 /nfs/dbraw/zinc/02/49/67/632024967.db2.gz JZPDFPXZNJRMAE-UHFFFAOYSA-N 1 0 294.354 3.239 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCCC2(O)CCC2)c(Cl)c1 ZINC000817413879 632143802 /nfs/dbraw/zinc/14/38/02/632143802.db2.gz CFCCRDNHLLXWDB-UHFFFAOYSA-N 1 0 283.799 3.139 20 10 CGCDRO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000817414661 632144973 /nfs/dbraw/zinc/14/49/73/632144973.db2.gz NNOZJFURXJKJFM-RDTXWAMCSA-N 1 0 297.398 3.404 20 10 CGCDRO CC[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2O)CCO1 ZINC000817414962 632145447 /nfs/dbraw/zinc/14/54/47/632145447.db2.gz NIVLLRVEVZIPIF-QWHCGFSZSA-N 1 0 269.772 3.093 20 10 CGCDRO Cc1cccc([C@@H](C)[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)c1 ZINC000817939109 632238698 /nfs/dbraw/zinc/23/86/98/632238698.db2.gz ZCUFEGBJNYZGJY-DNVCBOLYSA-N 1 0 297.446 3.412 20 10 CGCDRO CC(C)=CCC[C@H](C)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000817939147 632239406 /nfs/dbraw/zinc/23/94/06/632239406.db2.gz ZNJVVKQJJOAPIA-YJBOKZPZSA-N 1 0 289.467 3.477 20 10 CGCDRO CC[NH2+]CCC[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000817944225 632241900 /nfs/dbraw/zinc/24/19/00/632241900.db2.gz ZZMUWOXSHJGSNL-VIFPVBQESA-N 1 0 291.222 3.349 20 10 CGCDRO CN(C)c1ccc([C@H](N)C[NH2+]C2CCC3(CC3)CC2)cc1 ZINC000817943053 632242617 /nfs/dbraw/zinc/24/26/17/632242617.db2.gz SQHOVLJVSYKCCH-QGZVFWFLSA-N 1 0 287.451 3.065 20 10 CGCDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)c1ccc(N(C)C)cc1 ZINC000817956225 632251267 /nfs/dbraw/zinc/25/12/67/632251267.db2.gz UJPMJHOOJGMPRZ-CQSZACIVSA-N 1 0 283.419 3.228 20 10 CGCDRO CC[C@H]([NH2+]CC([NH3+])(CC)CC)c1ccc(F)cc1[O-] ZINC000817959361 632255227 /nfs/dbraw/zinc/25/52/27/632255227.db2.gz CBCQQEVRUJXQKO-ZDUSSCGKSA-N 1 0 268.376 3.090 20 10 CGCDRO CC[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccc(Cl)c(Cl)c1[O-] ZINC000817960767 632256101 /nfs/dbraw/zinc/25/61/01/632256101.db2.gz PKALUWXPSVAXKJ-SNVBAGLBSA-N 1 0 291.222 3.477 20 10 CGCDRO C[C@@H](NCC(C)(C)[NH3+])c1ccc(N2CCCCC2)c(F)c1 ZINC000817960531 632256233 /nfs/dbraw/zinc/25/62/33/632256233.db2.gz MTBNZJUCRSDYJS-CYBMUJFWSA-N 1 0 293.430 3.204 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1cccc(Cl)c1[O-] ZINC000817977439 632269201 /nfs/dbraw/zinc/26/92/01/632269201.db2.gz KJFUYHNCMHYVJR-GXFFZTMASA-N 1 0 270.804 3.214 20 10 CGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)C(C)C)C2)cc1 ZINC000818344731 632311195 /nfs/dbraw/zinc/31/11/95/632311195.db2.gz QDPDRPBRJUNUFM-HUUCEWRRSA-N 1 0 276.424 3.156 20 10 CGCDRO C[C@H](O)C[NH2+]Cc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000819290498 632421038 /nfs/dbraw/zinc/42/10/38/632421038.db2.gz HMWVSOGKPGITFG-STQMWFEESA-N 1 0 296.842 3.047 20 10 CGCDRO [O-]c1ccc(Cl)c(F)c1C[NH2+][C@@H]1CCCn2nccc21 ZINC000865872999 632932958 /nfs/dbraw/zinc/93/29/58/632932958.db2.gz YRHFROFHEBPVNH-LLVKDONJSA-N 1 0 295.745 3.006 20 10 CGCDRO CC[C@@H]([NH2+]CC[C@H](O)C(F)F)c1cc(Cl)ccc1O ZINC000866442468 633133391 /nfs/dbraw/zinc/13/33/91/633133391.db2.gz MIYBDJQFZIXWBO-PWSUYJOCSA-N 1 0 293.741 3.102 20 10 CGCDRO C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@@H]1C)c1cc(Cl)ccc1O ZINC000866443655 633133709 /nfs/dbraw/zinc/13/37/09/633133709.db2.gz RJXLNGXRYHGBCN-PRFIWBCESA-N 1 0 269.772 3.262 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccnc(F)c1)c1ccc(C)cc1O ZINC000866473121 633147273 /nfs/dbraw/zinc/14/72/73/633147273.db2.gz BEXWHDZVPPSXPC-CQSZACIVSA-N 1 0 274.339 3.476 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2C[C@H]2C(F)(F)F)c1O ZINC000866500976 633162271 /nfs/dbraw/zinc/16/22/71/633162271.db2.gz WSSZSMNLBRNOJY-SZEHBUNVSA-N 1 0 275.270 3.002 20 10 CGCDRO C[C@@H](Cc1ccoc1)[NH2+]CCCSc1nccs1 ZINC000823937587 633170663 /nfs/dbraw/zinc/17/06/63/633170663.db2.gz CYRLFFZERLRUSO-NSHDSACASA-N 1 0 282.434 3.439 20 10 CGCDRO c1csc(SCCC[NH2+][C@H]2CCOC3(CCC3)C2)n1 ZINC000823938120 633170831 /nfs/dbraw/zinc/17/08/31/633170831.db2.gz UALVOMZMQAXCMU-LBPRGKRZSA-N 1 0 298.477 3.317 20 10 CGCDRO CN1Cc2ccccc2[C@H]1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000866563508 633195433 /nfs/dbraw/zinc/19/54/33/633195433.db2.gz NAYGLMBNXOSKAI-IAGOWNOFSA-N 1 0 294.398 3.156 20 10 CGCDRO CN1Cc2ccccc2[C@@H]1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000866563513 633195560 /nfs/dbraw/zinc/19/55/60/633195560.db2.gz NAYGLMBNXOSKAI-SJORKVTESA-N 1 0 294.398 3.156 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]C1([C@H]3CCCCO3)CCC1)CC2 ZINC000866622549 633219627 /nfs/dbraw/zinc/21/96/27/633219627.db2.gz GJZFVIDSFMMVSF-GOEBONIOSA-N 1 0 287.403 3.461 20 10 CGCDRO COc1ccc(N2CCC([NH2+]CCC(C)(F)F)CC2)cc1 ZINC000824483379 633250246 /nfs/dbraw/zinc/25/02/46/633250246.db2.gz LZCSJGWYGNLDBU-UHFFFAOYSA-N 1 0 298.377 3.299 20 10 CGCDRO Cc1cc(O)c(C[N@H+](C[C@H]2CCOC2)C2CC2)cc1Cl ZINC000824555526 633259773 /nfs/dbraw/zinc/25/97/73/633259773.db2.gz HAWKAFRIERCAJQ-GFCCVEGCSA-N 1 0 295.810 3.355 20 10 CGCDRO CC[C@H](C)[C@@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)OC ZINC000824596172 633263397 /nfs/dbraw/zinc/26/33/97/633263397.db2.gz GGYYZLDDICFRFU-BLLLJJGKSA-N 1 0 282.403 3.042 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](C)CCCO)cc1F ZINC000824602685 633263501 /nfs/dbraw/zinc/26/35/01/633263501.db2.gz ALZHVYYLRMGSAR-AWEZNQCLSA-N 1 0 296.430 3.170 20 10 CGCDRO CO[C@](C)(C[NH2+]Cc1cccc(C)c1O)c1ccccc1 ZINC000824780393 633287426 /nfs/dbraw/zinc/28/74/26/633287426.db2.gz NCHCQHWGMPWWOZ-GOSISDBHSA-N 1 0 285.387 3.352 20 10 CGCDRO CO[C@H]1CC[N@H+](Cc2c(O)ccc3ccccc32)C[C@@H]1C ZINC000824815671 633293781 /nfs/dbraw/zinc/29/37/81/633293781.db2.gz WJYJLYFVBPQLQS-UGSOOPFHSA-N 1 0 285.387 3.402 20 10 CGCDRO C[N@H+](Cc1ccc(Br)cc1O)C1CCC1 ZINC000824823313 633297604 /nfs/dbraw/zinc/29/76/04/633297604.db2.gz AGECBSGMMZQKIC-UHFFFAOYSA-N 1 0 270.170 3.139 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2C[C@H]2C(C)C)c1 ZINC000824978434 633313836 /nfs/dbraw/zinc/31/38/36/633313836.db2.gz WCXGHYACVWITNM-OBJOEFQTSA-N 1 0 263.381 3.344 20 10 CGCDRO CCCc1ncc(C[NH2+]Cc2cc(Cl)ccc2O)o1 ZINC000825086654 633327139 /nfs/dbraw/zinc/32/71/39/633327139.db2.gz UTPCHXLIEARECJ-UHFFFAOYSA-N 1 0 280.755 3.276 20 10 CGCDRO CCCCOCC[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825167071 633333743 /nfs/dbraw/zinc/33/37/43/633333743.db2.gz HGSAUWQKBFNFKK-UHFFFAOYSA-N 1 0 271.788 3.260 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H](CO)c2ccccc2)cc1Cl ZINC000825278719 633341832 /nfs/dbraw/zinc/34/18/32/633341832.db2.gz OYDWBXKFRXKXJO-OAHLLOKOSA-N 1 0 291.778 3.177 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H](CO)CC(C)(C)C)cc1Cl ZINC000825376371 633350256 /nfs/dbraw/zinc/35/02/56/633350256.db2.gz YQVAXRRMMXRION-GFCCVEGCSA-N 1 0 285.815 3.241 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@]2(C)CCO[C@@H]2C2CC2)cc1Cl ZINC000825502282 633358881 /nfs/dbraw/zinc/35/88/81/633358881.db2.gz VWCRLWJOZYELBZ-CVEARBPZSA-N 1 0 295.810 3.401 20 10 CGCDRO COC(=O)CCC(C)(C)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825519821 633361489 /nfs/dbraw/zinc/36/14/89/633361489.db2.gz NRYANECNCGCGTA-UHFFFAOYSA-N 1 0 299.798 3.175 20 10 CGCDRO CSC1(C[NH2+]Cc2cc(Cl)c(C)cc2O)CC1 ZINC000825725873 633377669 /nfs/dbraw/zinc/37/76/69/633377669.db2.gz CCRDXKJKNSATAH-UHFFFAOYSA-N 1 0 271.813 3.339 20 10 CGCDRO CO[C@@](C)(C[NH2+]Cc1cc(Cl)c(C)cc1O)C1CC1 ZINC000825955998 633391830 /nfs/dbraw/zinc/39/18/30/633391830.db2.gz WGKKXUANERVGGM-HNNXBMFYSA-N 1 0 283.799 3.259 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H](C)Cc2ccccn2)cc1Cl ZINC000826534450 633411680 /nfs/dbraw/zinc/41/16/80/633411680.db2.gz GPTQQJWMMYFADO-GFCCVEGCSA-N 1 0 290.794 3.470 20 10 CGCDRO Cc1cc(Br)cc(C[NH2+][C@@H]2C=CCC2)c1O ZINC000826942178 633445371 /nfs/dbraw/zinc/44/53/71/633445371.db2.gz NQSXQOOLDSGJBP-GFCCVEGCSA-N 1 0 282.181 3.271 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1C[C@@H](O)c2ccccc21 ZINC000827172361 633467844 /nfs/dbraw/zinc/46/78/44/633467844.db2.gz RIUAJKJLFUZWFI-RBUKOAKNSA-N 1 0 296.414 3.329 20 10 CGCDRO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000827292752 633477942 /nfs/dbraw/zinc/47/79/42/633477942.db2.gz SIQDEUFLDZWDQC-PKOBYXMFSA-N 1 0 295.382 3.016 20 10 CGCDRO CCn1cc([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2C)cn1 ZINC000122745884 633502568 /nfs/dbraw/zinc/50/25/68/633502568.db2.gz FWTIUYIQKOILTK-AWEZNQCLSA-N 1 0 286.423 3.128 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@H](O)[C@H](C)c2ccccc2)c1O ZINC000827733826 633513345 /nfs/dbraw/zinc/51/33/45/633513345.db2.gz PGHTYUKUZCZBIA-KDOFPFPSSA-N 1 0 299.414 3.209 20 10 CGCDRO COC[C@H](CC(C)C)[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000845972136 636125998 /nfs/dbraw/zinc/12/59/98/636125998.db2.gz PEIVBBVOMQMTNR-OLZOCXBDSA-N 1 0 281.396 3.113 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)cc1C)[C@@H]1CCCOC1 ZINC000872034291 633953235 /nfs/dbraw/zinc/95/32/35/633953235.db2.gz JCKMZEAPPCQYOI-AEFFLSMTSA-N 1 0 290.451 3.356 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+]C[C@H]1CCCS1 ZINC000123954789 634020818 /nfs/dbraw/zinc/02/08/18/634020818.db2.gz DTNUXHNNAOYJJG-SECBINFHSA-N 1 0 257.786 3.031 20 10 CGCDRO C[C@@H](O)[C@H]([NH2+][C@@H](C)c1ccccc1O)c1ccccc1F ZINC000846184535 636154675 /nfs/dbraw/zinc/15/46/75/636154675.db2.gz UNDXAFCFXNPMEN-JKDFXYPNSA-N 1 0 289.350 3.304 20 10 CGCDRO CCC[C@H](C)[C@H](CO)[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000846185350 636155570 /nfs/dbraw/zinc/15/55/70/636155570.db2.gz VAYHRQYZBYXYPX-NOLJZWGESA-N 1 0 279.424 3.457 20 10 CGCDRO CC(C)OC1(C[NH2+][C@H]2CCc3cccc(O)c32)CCC1 ZINC000872115885 634042016 /nfs/dbraw/zinc/04/20/16/634042016.db2.gz MWMLLENPUAJQKT-AWEZNQCLSA-N 1 0 275.392 3.317 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2nccnc2C)c(O)c1 ZINC000872133367 634056517 /nfs/dbraw/zinc/05/65/17/634056517.db2.gz LYDQIRVSCDJORV-DGCLKSJQSA-N 1 0 271.364 3.211 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@]23CCC[C@H]2OCC3)cc1Cl ZINC000872264177 634094001 /nfs/dbraw/zinc/09/40/01/634094001.db2.gz OBBDUOWVYDHEHZ-CABCVRRESA-N 1 0 281.783 3.155 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]C[C@@](C)(O)CCC(C)C)c1 ZINC000124018633 634096456 /nfs/dbraw/zinc/09/64/56/634096456.db2.gz ZTFAQQFTTPHXIK-KRWDZBQOSA-N 1 0 295.423 3.068 20 10 CGCDRO C[C@@H](C[NH2+][C@H]1CCc2cccc(O)c21)N1CCC[C@@H](C)C1 ZINC000834514667 634174768 /nfs/dbraw/zinc/17/47/68/634174768.db2.gz VRWMDYWVWXGPNG-YCPHGPKFSA-N 1 0 288.435 3.090 20 10 CGCDRO COc1nc(C)cc(C)c1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834558213 634182666 /nfs/dbraw/zinc/18/26/66/634182666.db2.gz CDJXMZNCWBZFFF-HNNXBMFYSA-N 1 0 298.386 3.190 20 10 CGCDRO CCn1ccnc1[C@@H](C)[NH2+]CCCSc1nccs1 ZINC000834592481 634192599 /nfs/dbraw/zinc/19/25/99/634192599.db2.gz BDGBPVPSOLVWSM-LLVKDONJSA-N 1 0 296.465 3.193 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@H]3CSC[C@H]3C2)c1 ZINC000872723347 634196086 /nfs/dbraw/zinc/19/60/86/634196086.db2.gz XQNIPBNWRKJQGE-DZGCQCFKSA-N 1 0 277.433 3.194 20 10 CGCDRO Cc1ccccc1[C@H](CO)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834611615 634197334 /nfs/dbraw/zinc/19/73/34/634197334.db2.gz MQZAPQCLYALULF-CVEARBPZSA-N 1 0 283.371 3.011 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@@H](CCO)C2CC2)cc1C ZINC000873058924 634238775 /nfs/dbraw/zinc/23/87/75/634238775.db2.gz LRKFMTLNEMGZCC-INIZCTEOSA-N 1 0 277.408 3.034 20 10 CGCDRO C[C@H]([NH2+][C@@H]1C[C@H](C)n2ccnc21)c1ccc(N(C)C)cc1 ZINC000834769407 634239374 /nfs/dbraw/zinc/23/93/74/634239374.db2.gz MSYSNWLLABRYEX-HEHGZKQESA-N 1 0 284.407 3.306 20 10 CGCDRO Cc1cccc2c1OC[C@H]([NH2+][C@@H]1CCc3cccc(O)c31)C2 ZINC000834806319 634244573 /nfs/dbraw/zinc/24/45/73/634244573.db2.gz ASXYKDIEXXWZLS-HZPDHXFCSA-N 1 0 295.382 3.281 20 10 CGCDRO Cc1ccc([C@H](O)[C@@H](C)[NH2+][C@@H]2CCc3cccc(O)c32)cc1 ZINC000834798913 634244685 /nfs/dbraw/zinc/24/46/85/634244685.db2.gz RMODHHONMJBDMT-VVFCZOMOSA-N 1 0 297.398 3.400 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCn3ccnc32)c(O)c1 ZINC000834831073 634251418 /nfs/dbraw/zinc/25/14/18/634251418.db2.gz HUUJFJXHQDXVQC-QWHCGFSZSA-N 1 0 271.364 3.001 20 10 CGCDRO CCCOc1ccc(C[NH2+]Cc2ccnn2CC)cc1C ZINC000873140908 634257424 /nfs/dbraw/zinc/25/74/24/634257424.db2.gz XQAVRXUEPDHKOB-UHFFFAOYSA-N 1 0 287.407 3.290 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@H](C)c2ccnn2C)cc1C ZINC000873151959 634259777 /nfs/dbraw/zinc/25/97/77/634259777.db2.gz DXVYTQQLZAFMIY-CQSZACIVSA-N 1 0 287.407 3.368 20 10 CGCDRO COc1cccc(C[NH2+]CCC[C@@H]2C=CCC2)c1O ZINC000873153644 634260438 /nfs/dbraw/zinc/26/04/38/634260438.db2.gz CCHJSSQBZAXSBP-CYBMUJFWSA-N 1 0 261.365 3.237 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)[C@H](C)O ZINC000834887372 634267890 /nfs/dbraw/zinc/26/78/90/634267890.db2.gz ITELVGQOYPOSAQ-MKBNYLNASA-N 1 0 277.408 3.081 20 10 CGCDRO C[C@H](Cc1cnn(C)c1)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000834895642 634272110 /nfs/dbraw/zinc/27/21/10/634272110.db2.gz CLNORQDDHRUORB-MNOVXSKESA-N 1 0 293.798 3.061 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2COCC2(C)C)c(O)c1C ZINC000834904130 634281581 /nfs/dbraw/zinc/28/15/81/634281581.db2.gz NJCRJGLSDPTREH-JSGCOSHPSA-N 1 0 263.381 3.085 20 10 CGCDRO [NH3+][C@@H]1C[C@H]1c1ccc(NCc2c(O)cccc2Cl)cc1 ZINC000873217083 634287907 /nfs/dbraw/zinc/28/79/07/634287907.db2.gz IEIVUPLEOTWJMR-SWLSCSKDSA-N 1 0 288.778 3.472 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1ccc(F)cc1[O-] ZINC000873245614 634299309 /nfs/dbraw/zinc/29/93/09/634299309.db2.gz SHDQKUNDNNSLBA-ZFWWWQNUSA-N 1 0 294.414 3.350 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000873251270 634301595 /nfs/dbraw/zinc/30/15/95/634301595.db2.gz KWXVIDIJZHHRCV-XHNCKOQMSA-N 1 0 289.206 3.087 20 10 CGCDRO CN(C)c1ccc(/C=C\C[N@H+](C)Cc2ccc[nH]2)cc1 ZINC000835027642 634326361 /nfs/dbraw/zinc/32/63/61/634326361.db2.gz FRRXZBQBRLBHLK-WAYWQWQTSA-N 1 0 269.392 3.226 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+]CCc2nccs2)cc1 ZINC000835037053 634328714 /nfs/dbraw/zinc/32/87/14/634328714.db2.gz OPCRFPYNEPLJTC-ARJAWSKDSA-N 1 0 287.432 3.055 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+]Cc2cccc(CO)c2)cc1 ZINC000835037751 634328858 /nfs/dbraw/zinc/32/88/58/634328858.db2.gz MLPPUTCKVLHYLY-DAXSKMNVSA-N 1 0 296.414 3.048 20 10 CGCDRO CO[C@@H](C[NH2+]C/C=C\c1ccc(N(C)C)cc1)C(C)C ZINC000835043168 634330642 /nfs/dbraw/zinc/33/06/42/634330642.db2.gz NOMTUKGVPOFXBC-TUYSUELWSA-N 1 0 276.424 3.026 20 10 CGCDRO C[C@@H]1CC([NH2+]C/C=C/c2ccc(N(C)C)cc2)C[C@H](C)O1 ZINC000835042617 634330748 /nfs/dbraw/zinc/33/07/48/634330748.db2.gz WEUYWBXVJGJYET-NBXBOGLCSA-N 1 0 288.435 3.311 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+]C2CCC(C)(O)CC2)cc1 ZINC000835043868 634331613 /nfs/dbraw/zinc/33/16/13/634331613.db2.gz UPVLCTBWJHTZDX-SNAWJCMRSA-N 1 0 288.435 3.049 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+]CC[C@H]2CCCCO2)cc1 ZINC000835045746 634332669 /nfs/dbraw/zinc/33/26/69/634332669.db2.gz YIDOOQONMXGFQK-DUMMIQTOSA-N 1 0 288.435 3.315 20 10 CGCDRO CN(C)c1ccc(/C=C\C[N@H+](C)CCc2ccncc2)cc1 ZINC000835048778 634335462 /nfs/dbraw/zinc/33/54/62/634335462.db2.gz YOBQCASKTYWNLB-PLNGDYQASA-N 1 0 295.430 3.335 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH+]2CCC3(CCO3)CC2)cc1 ZINC000835050876 634336277 /nfs/dbraw/zinc/33/62/77/634336277.db2.gz ZRWZBYJIGKFYJZ-ONEGZZNKSA-N 1 0 286.419 3.021 20 10 CGCDRO COCCC1([NH2+]C/C=C/c2ccc(N(C)C)cc2)CCC1 ZINC000835054905 634339235 /nfs/dbraw/zinc/33/92/35/634339235.db2.gz SKIAMUOJPLQZLG-GQCTYLIASA-N 1 0 288.435 3.315 20 10 CGCDRO CCC1C[NH+](Cc2cc(Br)cc(C)c2O)C1 ZINC000835073600 634344980 /nfs/dbraw/zinc/34/49/80/634344980.db2.gz DBHUOWAJXMAFAD-UHFFFAOYSA-N 1 0 284.197 3.305 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+](Cc1ccccc1)C[C@@H](C)O ZINC000876618762 634868641 /nfs/dbraw/zinc/86/86/41/634868641.db2.gz FDGGCGKTFPKSFJ-OAHLLOKOSA-N 1 0 285.387 3.084 20 10 CGCDRO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(C)cc2O)on1 ZINC000876617766 634868895 /nfs/dbraw/zinc/86/88/95/634868895.db2.gz UWFZKBSMJXXGEU-AWEZNQCLSA-N 1 0 272.348 3.334 20 10 CGCDRO CCC[N@H+](Cc1cnc(OC)s1)Cc1ccccc1O ZINC000876654705 634875477 /nfs/dbraw/zinc/87/54/77/634875477.db2.gz MLPVFEMBHSKMNS-UHFFFAOYSA-N 1 0 292.404 3.270 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCCC[C@@H]1c1ncc[nH]1 ZINC000876656238 634875564 /nfs/dbraw/zinc/87/55/64/634875564.db2.gz IQOSFNPNHREACT-CQSZACIVSA-N 1 0 271.364 3.151 20 10 CGCDRO CO[C@H]1CCC[N@H+](Cc2cc(C(C)C)c(C)cc2O)C1 ZINC000102766516 634882198 /nfs/dbraw/zinc/88/21/98/634882198.db2.gz JTOJUGIFVJPNQI-HNNXBMFYSA-N 1 0 277.408 3.435 20 10 CGCDRO CC[N@H+](Cc1ccccn1)Cc1c(C)cccc1O ZINC000876725303 634886916 /nfs/dbraw/zinc/88/69/16/634886916.db2.gz ILWCDYKWUBDFQJ-UHFFFAOYSA-N 1 0 256.349 3.118 20 10 CGCDRO Cc1ccc(C[N@@H+]2CC[C@@H](c3ccco3)C2)c(O)c1 ZINC000876723963 634886937 /nfs/dbraw/zinc/88/69/37/634886937.db2.gz JQULGGPPNXZAIH-CQSZACIVSA-N 1 0 257.333 3.283 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c(O)c1 ZINC000876756239 634892408 /nfs/dbraw/zinc/89/24/08/634892408.db2.gz PJSNSZHHRMMZQJ-QGZVFWFLSA-N 1 0 288.435 3.151 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+](C)Cc1cc(Cl)cn1C ZINC000876806414 634901877 /nfs/dbraw/zinc/90/18/77/634901877.db2.gz NRJYNSRLGQMQCQ-UHFFFAOYSA-N 1 0 278.783 3.325 20 10 CGCDRO CO[C@@H](C[NH2+]Cc1ccc(C)cc1O)c1ccccc1 ZINC000876958652 634937612 /nfs/dbraw/zinc/93/76/12/634937612.db2.gz JPRGOVWPMXRSSC-KRWDZBQOSA-N 1 0 271.360 3.178 20 10 CGCDRO CCO[P@](C)(=O)CC[C@H](C)[NH2+]Cc1ccccc1O ZINC000876995282 634946571 /nfs/dbraw/zinc/94/65/71/634946571.db2.gz DCEUTDDZDZVJGZ-BUXKBTBVSA-N 1 0 285.324 3.205 20 10 CGCDRO Cc1ccc(C[NH2+]C[C@H]2Cc3ccccc32)c(O)c1 ZINC000877016354 634951191 /nfs/dbraw/zinc/95/11/91/634951191.db2.gz LNEGVZSCMGTHHJ-OAHLLOKOSA-N 1 0 253.345 3.130 20 10 CGCDRO Cc1cccc(O)c1C[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000877019153 634951562 /nfs/dbraw/zinc/95/15/62/634951562.db2.gz HIVOUSVVTDWDTG-ZDUSSCGKSA-N 1 0 271.360 3.127 20 10 CGCDRO Cc1cccc(O)c1C[NH2+][C@@H](CCCO)c1ccccc1 ZINC000877056993 634965557 /nfs/dbraw/zinc/96/55/57/634965557.db2.gz ZEEPQAWEGCJHKG-KRWDZBQOSA-N 1 0 285.387 3.304 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]C[C@@]1(C)CCCS1 ZINC000877083547 634977947 /nfs/dbraw/zinc/97/79/47/634977947.db2.gz DEPQOAXASNWGEF-CQSZACIVSA-N 1 0 251.395 3.076 20 10 CGCDRO Cc1ccc(C[NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)c(O)c1 ZINC000877123091 634991723 /nfs/dbraw/zinc/99/17/23/634991723.db2.gz GKBOBLWPHDEBJZ-GOEBONIOSA-N 1 0 277.408 3.384 20 10 CGCDRO Cc1ccc(C[NH2+][C@H]2CCN(C)[C@H]2c2ccccc2)c(O)c1 ZINC000877129121 634994181 /nfs/dbraw/zinc/99/41/81/634994181.db2.gz YPEQULYSVJOYRM-HKUYNNGSSA-N 1 0 296.414 3.236 20 10 CGCDRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1c(C)cccc1O)CCO2 ZINC000877391731 635034472 /nfs/dbraw/zinc/03/44/72/635034472.db2.gz CXZKVFLIFKCRED-INIZCTEOSA-N 1 0 299.370 3.323 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000877399151 635034475 /nfs/dbraw/zinc/03/44/75/635034475.db2.gz KXVCSAFBRAQMKQ-IBGZPJMESA-N 1 0 295.382 3.332 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]Cc1ccc(C(C)(C)O)cc1 ZINC000877410750 635037860 /nfs/dbraw/zinc/03/78/60/635037860.db2.gz JCKFOTFJWHVIDL-UHFFFAOYSA-N 1 0 285.387 3.218 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)[C@@H]1C[C@H]1C ZINC000840721965 635042048 /nfs/dbraw/zinc/04/20/48/635042048.db2.gz XBTYZDHUWFUFLO-NTZNESFSSA-N 1 0 250.361 3.026 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1ccn(C)n1)c1cc(Cl)ccc1O ZINC000840818209 635057361 /nfs/dbraw/zinc/05/73/61/635057361.db2.gz XQMSUASRGUIBOE-ZJUUUORDSA-N 1 0 279.771 3.191 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H]2CCCC23CCOCC3)c(O)c1 ZINC000877498996 635061362 /nfs/dbraw/zinc/06/13/62/635061362.db2.gz AXHDJIKBHRHZSA-MRXNPFEDSA-N 1 0 275.392 3.140 20 10 CGCDRO CC[C@H]([NH2+]C[C@H](C)CCOC)c1ccc(N(C)C)cc1 ZINC000840837859 635061765 /nfs/dbraw/zinc/06/17/65/635061765.db2.gz XDHLDBPMGSDSPE-PBHICJAKSA-N 1 0 278.440 3.466 20 10 CGCDRO Cc1cc(N(C)C)ccc1CNc1cc(C[NH+](C)C)ccn1 ZINC000840878177 635071185 /nfs/dbraw/zinc/07/11/85/635071185.db2.gz FUCVSABOOSYSRA-UHFFFAOYSA-N 1 0 298.434 3.130 20 10 CGCDRO Cc1cccc(O)c1C[NH+]1CCC(c2cccnc2)CC1 ZINC000877524709 635071581 /nfs/dbraw/zinc/07/15/81/635071581.db2.gz CJTLNQFKOFHDBO-UHFFFAOYSA-N 1 0 282.387 3.475 20 10 CGCDRO COC1([C@H](C)[NH2+][C@H](C)c2ccc(N(C)C)cc2)CCC1 ZINC000840884066 635073075 /nfs/dbraw/zinc/07/30/75/635073075.db2.gz INIORONPRRKMLX-KGLIPLIRSA-N 1 0 276.424 3.361 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)c1ccc(C)cc1O)[C@@H](O)C(C)C ZINC000840884094 635073332 /nfs/dbraw/zinc/07/33/32/635073332.db2.gz ZAVHJBBXHMLWIR-NOLJZWGESA-N 1 0 265.397 3.147 20 10 CGCDRO CC[C@H](COC)[NH2+][C@H](C)Cc1ccc(N(C)C)cc1C ZINC000840893563 635077410 /nfs/dbraw/zinc/07/74/10/635077410.db2.gz LMWRNKVRKPUNEY-GDBMZVCRSA-N 1 0 278.440 3.007 20 10 CGCDRO CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000840894775 635077946 /nfs/dbraw/zinc/07/79/46/635077946.db2.gz SKPPMDYOVKFABX-RRFJBIMHSA-N 1 0 278.440 3.005 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H]1CC[C@H]1C ZINC000840895497 635078346 /nfs/dbraw/zinc/07/83/46/635078346.db2.gz YWOAXFXFZLRQCB-IFIJOSMWSA-N 1 0 260.425 3.380 20 10 CGCDRO CCC[C@H](CCO)C[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840901429 635079305 /nfs/dbraw/zinc/07/93/05/635079305.db2.gz JMTOHVAQQYIOAW-GFCCVEGCSA-N 1 0 285.815 3.242 20 10 CGCDRO Cc1cc(O)c(CN2CC[NH+](C3CCC3)CC2)c(Cl)c1 ZINC000840915660 635081271 /nfs/dbraw/zinc/08/12/71/635081271.db2.gz SAZLNQGMKXVBQL-UHFFFAOYSA-N 1 0 294.826 3.024 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCc2ccc(O)cc2C1 ZINC000840911313 635081425 /nfs/dbraw/zinc/08/14/25/635081425.db2.gz VLTHCHHBHPCDQA-UHFFFAOYSA-N 1 0 296.414 3.325 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000840919467 635082329 /nfs/dbraw/zinc/08/23/29/635082329.db2.gz GTMLNJBELJOWEI-SJLPKXTDSA-N 1 0 288.435 3.062 20 10 CGCDRO Cc1cc(O)c(C[N@H+](C)CC2CCOCC2)c(Cl)c1 ZINC000840917263 635082708 /nfs/dbraw/zinc/08/27/08/635082708.db2.gz JNLDABWWOSHGGS-UHFFFAOYSA-N 1 0 283.799 3.212 20 10 CGCDRO CC[N@H+](Cc1ccccn1)Cc1ccc(N(C)C)cc1C ZINC000840917229 635082972 /nfs/dbraw/zinc/08/29/72/635082972.db2.gz HQZGDEMIMKJAOM-UHFFFAOYSA-N 1 0 283.419 3.478 20 10 CGCDRO Cc1ccc(CC[NH2+]Cc2ccc(N(C)C)cc2C)o1 ZINC000840929357 635084259 /nfs/dbraw/zinc/08/42/59/635084259.db2.gz QKAUMMSCANXUGN-UHFFFAOYSA-N 1 0 272.392 3.295 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCO[C@H](C2CC2)C1 ZINC000840939028 635086992 /nfs/dbraw/zinc/08/69/92/635086992.db2.gz JKGAZFOWZVMJFE-AEFFLSMTSA-N 1 0 288.435 3.108 20 10 CGCDRO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840938747 635087019 /nfs/dbraw/zinc/08/70/19/635087019.db2.gz GMNLJQNOARVHML-QWRGUYRKSA-N 1 0 299.798 3.031 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@H+]1CCSC[C@H](C)C1 ZINC000840941758 635088274 /nfs/dbraw/zinc/08/82/74/635088274.db2.gz KQHVUQCDWGBLPY-CYBMUJFWSA-N 1 0 278.465 3.246 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000840943042 635088544 /nfs/dbraw/zinc/08/85/44/635088544.db2.gz GPBFDUWYPXYKJD-SFHVURJKSA-N 1 0 288.435 3.064 20 10 CGCDRO COc1cc([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2C)ccn1 ZINC000840945702 635089450 /nfs/dbraw/zinc/08/94/50/635089450.db2.gz VVDDBRWTVMIARY-AWEZNQCLSA-N 1 0 299.418 3.315 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@]1(C)CCCO ZINC000840949103 635091309 /nfs/dbraw/zinc/09/13/09/635091309.db2.gz QMZRETOXLSPVIO-SFHVURJKSA-N 1 0 290.451 3.188 20 10 CGCDRO Oc1cc2c(cc1C[NH2+]C[C@@H]1CCC[C@H]1C1CC1)OCO2 ZINC000840955621 635093567 /nfs/dbraw/zinc/09/35/67/635093567.db2.gz YLHNADJWZVBFON-JSGCOSHPSA-N 1 0 289.375 3.037 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCCC[C@H]1F ZINC000840961912 635094198 /nfs/dbraw/zinc/09/41/98/635094198.db2.gz FZDQARPYMDAJTN-HZPDHXFCSA-N 1 0 264.388 3.431 20 10 CGCDRO C[C@@H]([NH2+]Cc1cc(Cl)ccc1O)[C@@H]1CC1(F)F ZINC000840967296 635096134 /nfs/dbraw/zinc/09/61/34/635096134.db2.gz DRUZABRDZLNONL-XCBNKYQSSA-N 1 0 261.699 3.179 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H](C)Cc2ccc(N(C)C)cc2C)nc1 ZINC000840976583 635099362 /nfs/dbraw/zinc/09/93/62/635099362.db2.gz OHCBMRHOMQOMAG-INIZCTEOSA-N 1 0 297.446 3.485 20 10 CGCDRO CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C)cc1O ZINC000877575768 635099551 /nfs/dbraw/zinc/09/95/51/635099551.db2.gz DCNUNYHWLPAXCW-GDBMZVCRSA-N 1 0 263.381 3.138 20 10 CGCDRO CC[NH2+]Cc1ccccc1NCc1cc(F)ccc1O ZINC000841043255 635113499 /nfs/dbraw/zinc/11/34/99/635113499.db2.gz OILHFVHGRAHSLF-UHFFFAOYSA-N 1 0 274.339 3.253 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000877615243 635113867 /nfs/dbraw/zinc/11/38/67/635113867.db2.gz SKJHXRITVKFCNZ-CQSZACIVSA-N 1 0 267.319 3.322 20 10 CGCDRO Cc1cccc(C[NH2+]Cc2cccc3c2CCCN3)c1O ZINC000841082608 635118697 /nfs/dbraw/zinc/11/86/97/635118697.db2.gz GZYXBJNBXVJGIA-UHFFFAOYSA-N 1 0 282.387 3.349 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2cnccc2C(F)(F)F)c(O)c1 ZINC000877644655 635129982 /nfs/dbraw/zinc/12/99/82/635129982.db2.gz YVFHRLANQJTYNQ-UHFFFAOYSA-N 1 0 296.292 3.404 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+][C@@H]1CCO[C@H]1c1ccccc1 ZINC000877661496 635136530 /nfs/dbraw/zinc/13/65/30/635136530.db2.gz BWGOYGMLRFGZNI-WBVHZDCISA-N 1 0 287.334 3.151 20 10 CGCDRO CSC1CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC000877663223 635137259 /nfs/dbraw/zinc/13/72/59/635137259.db2.gz LJUPBAUOEGEVRT-UHFFFAOYSA-N 1 0 251.395 3.028 20 10 CGCDRO Cc1ccc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c(O)c1 ZINC000877730389 635166133 /nfs/dbraw/zinc/16/61/33/635166133.db2.gz YTLYSMLBRNRJQO-UHFFFAOYSA-N 1 0 286.331 3.207 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H]3CSC[C@@H]3C2)cc1F ZINC000877737511 635171230 /nfs/dbraw/zinc/17/12/30/635171230.db2.gz GSRIGGIGHLJAPT-KGLIPLIRSA-N 1 0 294.439 3.077 20 10 CGCDRO Oc1cccc(Cl)c1C[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000877740738 635175394 /nfs/dbraw/zinc/17/53/94/635175394.db2.gz TUXNPMZQXBOZBR-QWRGUYRKSA-N 1 0 283.824 3.231 20 10 CGCDRO C[C@H]([NH2+]Cc1cn(C)nc1C(C)(C)C)c1ccccc1O ZINC000877757393 635186039 /nfs/dbraw/zinc/18/60/39/635186039.db2.gz XBWHMSBPMCWMGL-LBPRGKRZSA-N 1 0 287.407 3.274 20 10 CGCDRO C[C@@H](CC1CCOCC1)[NH2+][C@@H](C)c1ccccc1O ZINC000877757210 635186179 /nfs/dbraw/zinc/18/61/79/635186179.db2.gz OBWJIQRIKLIDCN-STQMWFEESA-N 1 0 263.381 3.248 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCc2cccnc2CC1)c1ccccc1O ZINC000877758071 635186800 /nfs/dbraw/zinc/18/68/00/635186800.db2.gz HTOFVVHIHHBJQL-ZFWWWQNUSA-N 1 0 282.387 3.385 20 10 CGCDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-])C[NH+]1CCCC1 ZINC000841745311 635222937 /nfs/dbraw/zinc/22/29/37/635222937.db2.gz POPYEUMKPBQSDS-STQMWFEESA-N 1 0 296.842 3.428 20 10 CGCDRO C[C@@H]([NH2+][C@H](C)c1ccc(Cl)cc1O)c1ccn(C)n1 ZINC000841753227 635227289 /nfs/dbraw/zinc/22/72/89/635227289.db2.gz FHJQYYDRELSEAI-NXEZZACHSA-N 1 0 279.771 3.191 20 10 CGCDRO CSC[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841757916 635231550 /nfs/dbraw/zinc/23/15/50/635231550.db2.gz GILZDPRXVKVQES-RKDXNWHRSA-N 1 0 259.802 3.448 20 10 CGCDRO C[C@H]([NH2+]CC1=CCOCC1)c1ccc(Cl)cc1O ZINC000841759018 635232157 /nfs/dbraw/zinc/23/21/57/635232157.db2.gz WYYRIDRLVXGUID-JTQLQIEISA-N 1 0 267.756 3.043 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCN(CC2CC2)C1)c1ccc(Cl)cc1O ZINC000841764113 635232735 /nfs/dbraw/zinc/23/27/35/635232735.db2.gz PFEXADVTFPNQHH-BXUZGUMPSA-N 1 0 294.826 3.181 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H]2COCc3ccccc32)cc1C ZINC000841891521 635248827 /nfs/dbraw/zinc/24/88/27/635248827.db2.gz QXVUCTWYHHGYTE-KRWDZBQOSA-N 1 0 283.371 3.370 20 10 CGCDRO COCCCC[N@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000841894080 635249202 /nfs/dbraw/zinc/24/92/02/635249202.db2.gz MQEMTUFVBMNTFW-FPLPWBNLSA-N 1 0 276.424 3.124 20 10 CGCDRO COc1ccccc1C1([NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000842739066 635454718 /nfs/dbraw/zinc/45/47/18/635454718.db2.gz HTXJGTDZOQDIDQ-UHFFFAOYSA-N 1 0 295.382 3.409 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(CO)cc2)c(O)c1 ZINC000842895899 635508862 /nfs/dbraw/zinc/50/88/62/635508862.db2.gz QKPCXPDZHIDHMY-CQSZACIVSA-N 1 0 285.387 3.352 20 10 CGCDRO CC[C@H](C)C[C@H](CO)[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000842919974 635511660 /nfs/dbraw/zinc/51/16/60/635511660.db2.gz XHHOMAGFLSRRIL-CIQGVGRVSA-N 1 0 295.398 3.466 20 10 CGCDRO C[C@H]([NH2+][C@H](CCO)c1ccccc1F)c1ccccc1O ZINC000842922204 635511773 /nfs/dbraw/zinc/51/17/73/635511773.db2.gz AHVJESHFDBVCDL-BLLLJJGKSA-N 1 0 289.350 3.306 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CCO[C@@H](c2cccnc2)C1)c1ccccc1O ZINC000842918616 635511881 /nfs/dbraw/zinc/51/18/81/635511881.db2.gz UYOQYIUXPSYIPF-DDUZABMNSA-N 1 0 298.386 3.358 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1CC2(CCC2)CO1)c1ccc(N(C)C)cc1 ZINC000878455306 635514141 /nfs/dbraw/zinc/51/41/41/635514141.db2.gz VXVGEZPZRXTAJY-WMLDXEAASA-N 1 0 288.435 3.362 20 10 CGCDRO CCc1ncc(CN2CCCc3cc(C[NH3+])ccc32)s1 ZINC000843058341 635552702 /nfs/dbraw/zinc/55/27/02/635552702.db2.gz PGKDRKQCTKUCEJ-UHFFFAOYSA-N 1 0 287.432 3.117 20 10 CGCDRO Cc1cc(O)c(CN(C)CC[C@H]([NH3+])C(C)C)c(Cl)c1 ZINC000843056425 635552819 /nfs/dbraw/zinc/55/28/19/635552819.db2.gz JPFQHXBTWDYDQA-AWEZNQCLSA-N 1 0 284.831 3.159 20 10 CGCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1cnc(C2CC2)s1 ZINC000843057292 635553067 /nfs/dbraw/zinc/55/30/67/635553067.db2.gz AAXOUHJDDGXPTM-UHFFFAOYSA-N 1 0 299.443 3.432 20 10 CGCDRO Oc1cc2c(cc1C[N@@H+]1CCCC[C@H]1C1CCC1)OCO2 ZINC000843437874 635676603 /nfs/dbraw/zinc/67/66/03/635676603.db2.gz YOUKPYMNQCVFQC-AWEZNQCLSA-N 1 0 289.375 3.276 20 10 CGCDRO CC(C)N(C(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1O)C(C)C ZINC000879648759 635826492 /nfs/dbraw/zinc/82/64/92/635826492.db2.gz CPJNCIYHNNYOMB-ZIAGYGMSSA-N 1 0 292.423 3.077 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H](C)c2ccccc2O)c(C)n1 ZINC000879650640 635826823 /nfs/dbraw/zinc/82/68/23/635826823.db2.gz LBHPWGPCKIBGNH-ZDUSSCGKSA-N 1 0 256.349 3.255 20 10 CGCDRO Cc1ccc(C[NH2+][C@H](C)c2ccccc2O)c(C)n1 ZINC000879649181 635827010 /nfs/dbraw/zinc/82/70/10/635827010.db2.gz LBHPWGPCKIBGNH-CYBMUJFWSA-N 1 0 256.349 3.255 20 10 CGCDRO CCOc1cccc(C[NH2+][C@H]2CCc3c2cccc3O)c1O ZINC000105486798 635866446 /nfs/dbraw/zinc/86/64/46/635866446.db2.gz IILWCTXHWXJHPY-HNNXBMFYSA-N 1 0 299.370 3.274 20 10 CGCDRO Cc1cc(C[N@@H+](C)[C@H](C)CCO)ccc1N1CCCCC1 ZINC000844450740 635906591 /nfs/dbraw/zinc/90/65/91/635906591.db2.gz PYGTYDUXCURNAG-MRXNPFEDSA-N 1 0 290.451 3.188 20 10 CGCDRO CCc1cccc(C[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000845929683 636120121 /nfs/dbraw/zinc/12/01/21/636120121.db2.gz NWVFCIYMNHYAHO-UHFFFAOYSA-N 1 0 267.372 3.474 20 10 CGCDRO Cc1cc(O)c(C[NH+]2CCC(C3(O)CC3)CC2)c(Cl)c1 ZINC000846009440 636128556 /nfs/dbraw/zinc/12/85/56/636128556.db2.gz ZTIOCSGBTRMTGX-UHFFFAOYSA-N 1 0 295.810 3.091 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H](C2CC2)C2CCOCC2)cc1C ZINC000846042339 636137238 /nfs/dbraw/zinc/13/72/38/636137238.db2.gz KEUKRKUTCUEUIL-GOSISDBHSA-N 1 0 289.419 3.304 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]C1CC(C(F)F)C1 ZINC000846054810 636138851 /nfs/dbraw/zinc/13/88/51/636138851.db2.gz GRMFORDJGKSACL-UHFFFAOYSA-N 1 0 261.699 3.179 20 10 CGCDRO COc1ccc(O)c(C[NH+]2CCC3(CC3(F)F)CC2)c1 ZINC000846054288 636139221 /nfs/dbraw/zinc/13/92/21/636139221.db2.gz KKGKHSIMUHYXIT-UHFFFAOYSA-N 1 0 283.318 3.022 20 10 CGCDRO CO[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000846055373 636139958 /nfs/dbraw/zinc/13/99/58/636139958.db2.gz FBJIQWXAPKQHHE-ZIAGYGMSSA-N 1 0 283.799 3.401 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)COCC1CC1)c1ccccc1O ZINC000846074085 636142536 /nfs/dbraw/zinc/14/25/36/636142536.db2.gz WMRCNWVIJVSMOO-DOMZBBRYSA-N 1 0 263.381 3.248 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]CCc2ccccc2F)c1O ZINC000846137280 636148710 /nfs/dbraw/zinc/14/87/10/636148710.db2.gz MYZHPSHMVLSDNM-GFCCVEGCSA-N 1 0 289.350 3.433 20 10 CGCDRO CCc1cnc(C[NH2+][C@H](C)c2cccc(OC)c2O)s1 ZINC000846143536 636149186 /nfs/dbraw/zinc/14/91/86/636149186.db2.gz CKEVAHZPKQHXCG-SNVBAGLBSA-N 1 0 292.404 3.271 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]CC2(O)CCCCCC2)c1O ZINC000846144156 636149488 /nfs/dbraw/zinc/14/94/88/636149488.db2.gz JXJWVOMPRXQRIJ-ZDUSSCGKSA-N 1 0 293.407 3.137 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)CC(C)(C)OC)c1O ZINC000846143544 636149497 /nfs/dbraw/zinc/14/94/97/636149497.db2.gz COCXOGRJSMSOQV-NWDGAFQWSA-N 1 0 281.396 3.255 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]C[C@H](C)c2ccncc2)c1O ZINC000846151139 636150268 /nfs/dbraw/zinc/15/02/68/636150268.db2.gz UOOXNOPFOKCNBE-QWHCGFSZSA-N 1 0 286.375 3.250 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]CCCc2ccccn2)c1O ZINC000846155837 636150350 /nfs/dbraw/zinc/15/03/50/636150350.db2.gz IEBWZBAIYGWRMR-CYBMUJFWSA-N 1 0 286.375 3.079 20 10 CGCDRO CC[C@H](CSC)[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846158829 636150685 /nfs/dbraw/zinc/15/06/85/636150685.db2.gz LEMKFYGUKXNSCB-GHMZBOCLSA-N 1 0 269.410 3.193 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]CC[C@H]2CCO[C@H](C)C2)c1O ZINC000846161978 636150979 /nfs/dbraw/zinc/15/09/79/636150979.db2.gz DKZAGRZSYFWKMV-RDBSUJKOSA-N 1 0 293.407 3.257 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](CC(C)C)OC)c1O ZINC000846172001 636154144 /nfs/dbraw/zinc/15/41/44/636154144.db2.gz KFVMMRSSZKJLEI-CHWSQXEVSA-N 1 0 281.396 3.113 20 10 CGCDRO C[C@]1(CC[NH2+]Cc2cc(F)cc(F)c2[O-])C[C@]1(F)Cl ZINC000883158086 636559177 /nfs/dbraw/zinc/55/91/77/636559177.db2.gz UIBPKJCZBBWAQC-QWHCGFSZSA-N 1 0 293.716 3.465 20 10 CGCDRO CCOCc1cc(C[NH2+]C2(C)CC=CC2)ccc1OC ZINC000848560328 636605171 /nfs/dbraw/zinc/60/51/71/636605171.db2.gz CPJLKGDOYNFJIB-UHFFFAOYSA-N 1 0 275.392 3.430 20 10 CGCDRO COc1ccc(C[NH2+]C[C@@H](C)C(=O)OC(C)(C)C)cc1C ZINC000848565314 636608665 /nfs/dbraw/zinc/60/86/65/636608665.db2.gz JAVSSVMEZLOCCF-CYBMUJFWSA-N 1 0 293.407 3.071 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H](CC)[C@@H]2CCCCO2)c1O ZINC000848575570 636614426 /nfs/dbraw/zinc/61/44/26/636614426.db2.gz SNROLJGVHRHYEQ-GJZGRUSLSA-N 1 0 293.407 3.228 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCc2ccns2)c(O)c1C ZINC000883247216 636616505 /nfs/dbraw/zinc/61/65/05/636616505.db2.gz CGJYCUJLHIJXTB-LBPRGKRZSA-N 1 0 276.405 3.359 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2CCC(C)(C)CO2)c1O ZINC000883249622 636621097 /nfs/dbraw/zinc/62/10/97/636621097.db2.gz MIRFIPMMHBQQAT-STQMWFEESA-N 1 0 293.407 3.257 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCn3cccc3[C@@H]2C)c1O ZINC000848877492 636669316 /nfs/dbraw/zinc/66/93/16/636669316.db2.gz SFFLTPNAFLZCKG-ZDUSSCGKSA-N 1 0 270.376 3.333 20 10 CGCDRO COC[C@H]1C[C@@H]([NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)C1 ZINC000883319475 636670602 /nfs/dbraw/zinc/67/06/02/636670602.db2.gz DEJXTEFTNWPMDP-HEHGZKQESA-N 1 0 289.419 3.347 20 10 CGCDRO CCc1cccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])c1O ZINC000848893830 636678855 /nfs/dbraw/zinc/67/88/55/636678855.db2.gz HTLYPBVXNXWVSX-UHFFFAOYSA-N 1 0 286.331 3.153 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H](CO)c2sccc2C)c1O ZINC000848897245 636679620 /nfs/dbraw/zinc/67/96/20/636679620.db2.gz GZYNAOAXHINZRD-AWEZNQCLSA-N 1 0 291.416 3.148 20 10 CGCDRO CCOCCC1(C[NH2+]Cc2cccc(CC)c2O)CC1 ZINC000848899650 636680835 /nfs/dbraw/zinc/68/08/35/636680835.db2.gz RLIPXUJSQUQWMN-UHFFFAOYSA-N 1 0 277.408 3.251 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCSCC[C@H]2C)c1O ZINC000848906412 636683471 /nfs/dbraw/zinc/68/34/71/636683471.db2.gz UWXUXFCOKVNIPL-GFCCVEGCSA-N 1 0 265.422 3.282 20 10 CGCDRO CCc1cccc(CN2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c1O ZINC000848910518 636686710 /nfs/dbraw/zinc/68/67/10/636686710.db2.gz KYZKSISQDYKBEI-RHSMWYFYSA-N 1 0 288.435 3.013 20 10 CGCDRO CCc1cccc(C[NH2+]CCCC(C)(C)COC)c1O ZINC000848911854 636687488 /nfs/dbraw/zinc/68/74/88/636687488.db2.gz JKBPTLVTTSFCKT-UHFFFAOYSA-N 1 0 279.424 3.497 20 10 CGCDRO CCOc1ccc(C[NH2+][C@@H](CC)[C@@H]2CCCOC2)c(O)c1 ZINC000883352651 636694782 /nfs/dbraw/zinc/69/47/82/636694782.db2.gz FXWBOBKJHNPPNA-ZBFHGGJFSA-N 1 0 293.407 3.086 20 10 CGCDRO COc1c(C)cccc1C[NH2+]Cc1cc(F)ccc1O ZINC000848924210 636694964 /nfs/dbraw/zinc/69/49/64/636694964.db2.gz XLMPNLSWCHLJLA-UHFFFAOYSA-N 1 0 275.323 3.138 20 10 CGCDRO COC[C@@H](CC(C)(C)C)[NH2+]Cc1cc(F)ccc1O ZINC000848925952 636698640 /nfs/dbraw/zinc/69/86/40/636698640.db2.gz IRZPISKLEILMTP-CYBMUJFWSA-N 1 0 269.360 3.072 20 10 CGCDRO COc1cccc(C[N@H+](C)[C@H]2CCC[C@H](C)C2)c1O ZINC000132745541 636834260 /nfs/dbraw/zinc/83/42/60/636834260.db2.gz GQIMMXLXVFUHAN-JSGCOSHPSA-N 1 0 263.381 3.411 20 10 CGCDRO C[C@@H]([NH2+]CCOC1CCCC1)c1ccc(N(C)C)cc1 ZINC000108942652 636894702 /nfs/dbraw/zinc/89/47/02/636894702.db2.gz CBGHBVATKZNEEC-CQSZACIVSA-N 1 0 276.424 3.362 20 10 CGCDRO COc1cc(C[NH2+]CCOC(C)C)c(O)c(C(C)(C)C)c1 ZINC000850246470 636996000 /nfs/dbraw/zinc/99/60/00/636996000.db2.gz OUXZEDAOEFAFCU-UHFFFAOYSA-N 1 0 295.423 3.213 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H](C)c2ccccn2)c1 ZINC000850341339 637020387 /nfs/dbraw/zinc/02/03/87/637020387.db2.gz HGHFFDSBFLVBIL-CYBMUJFWSA-N 1 0 286.375 3.079 20 10 CGCDRO COc1cccc(C[NH2+][C@H]2C[C@H](Oc3ccccc3)C2)c1O ZINC000850374567 637037720 /nfs/dbraw/zinc/03/77/20/637037720.db2.gz MNUXYDAGKMVHJO-KOMQPUFPSA-N 1 0 299.370 3.100 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCc3ccc(O)cc32)cc1 ZINC000850385562 637041701 /nfs/dbraw/zinc/04/17/01/637041701.db2.gz AZRNXHHMQYGVNG-GOSISDBHSA-N 1 0 282.387 3.235 20 10 CGCDRO COc1cccc(C[NH2+]Cc2ccc3c(c2)CCO3)c1C ZINC000850417277 637054036 /nfs/dbraw/zinc/05/40/36/637054036.db2.gz YSKUHIFQLLERAT-UHFFFAOYSA-N 1 0 283.371 3.228 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCCn3nccc32)cc1 ZINC000850423510 637056111 /nfs/dbraw/zinc/05/61/11/637056111.db2.gz ANLXGKUFLPIJMK-QGZVFWFLSA-N 1 0 298.434 3.354 20 10 CGCDRO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)CCC3CC3)C2)cc1 ZINC000850488432 637087492 /nfs/dbraw/zinc/08/74/92/637087492.db2.gz MRWCCOZXDKVJOW-GDBMZVCRSA-N 1 0 288.435 3.442 20 10 CGCDRO C[C@H]([NH2+][C@H](CO)C1CCC1)c1cc2c(cc1O)CCCC2 ZINC000850488320 637087630 /nfs/dbraw/zinc/08/76/30/637087630.db2.gz NKJYRPYYZBFXDR-YVEFUNNKSA-N 1 0 289.419 3.083 20 10 CGCDRO CCC(CC)[NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850486849 637088113 /nfs/dbraw/zinc/08/81/13/637088113.db2.gz DHKXPKGPRTTXEH-CQSZACIVSA-N 1 0 262.397 3.052 20 10 CGCDRO C[C@H]([NH2+][C@H](CO)C1CCC1)c1ccc2ccccc2c1O ZINC000850487961 637088153 /nfs/dbraw/zinc/08/81/53/637088153.db2.gz JYBQANFREHTVDC-YVEFUNNKSA-N 1 0 285.387 3.357 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]CCCOC(C)(C)C)c1O ZINC000850524171 637103247 /nfs/dbraw/zinc/10/32/47/637103247.db2.gz ALZDJPKHWICCSS-GFCCVEGCSA-N 1 0 281.396 3.257 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+][C@H]1COc3cc(F)ccc3C1)CC2 ZINC000850536891 637112827 /nfs/dbraw/zinc/11/28/27/637112827.db2.gz KTRFJLWYDSUYBA-HUUCEWRRSA-N 1 0 299.345 3.112 20 10 CGCDRO CC[C@H]([NH2+][C@H]1C[C@H](O)C12CCC2)c1cc(Cl)ccc1O ZINC000850547814 637116887 /nfs/dbraw/zinc/11/68/87/637116887.db2.gz XAHRUKPYLZRETM-QEJZJMRPSA-N 1 0 295.810 3.390 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]C[C@H](CO)CC2CC2)c2c1c(F)ccc2O ZINC000850545730 637116930 /nfs/dbraw/zinc/11/69/30/637116930.db2.gz RRPQDKCRYCOGKJ-QKCSRTOESA-N 1 0 293.382 3.078 20 10 CGCDRO C[C@@H]([NH2+]CC1CCC(O)CC1)c1cc(Cl)ccc1O ZINC000850556931 637121789 /nfs/dbraw/zinc/12/17/89/637121789.db2.gz ULGQHUVDMJLAQG-XSRFYTQQSA-N 1 0 283.799 3.247 20 10 CGCDRO Oc1ccccc1[C@H](CCc1ccccc1)[NH2+][C@H]1C[C@H](O)C1 ZINC000850579510 637130705 /nfs/dbraw/zinc/13/07/05/637130705.db2.gz YPNHIJVAHURJQI-BQFCYCMXSA-N 1 0 297.398 3.179 20 10 CGCDRO COc1cc(C)cc(C[NH2+]Cc2ccccc2O)c1OC ZINC000885960679 637333464 /nfs/dbraw/zinc/33/34/64/637333464.db2.gz OTGWLNLLYNPJRP-UHFFFAOYSA-N 1 0 287.359 3.008 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CC[C@H](C3CC3)O2)c1 ZINC000886109515 637418700 /nfs/dbraw/zinc/41/87/00/637418700.db2.gz MSZRVYKBIFYYPV-FABXCBLPSA-N 1 0 291.391 3.009 20 10 CGCDRO CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2c([O-])cccc2F)C1 ZINC000886522023 637550473 /nfs/dbraw/zinc/55/04/73/637550473.db2.gz AMSJGLUYZCADRC-KBPBESRZSA-N 1 0 294.414 3.302 20 10 CGCDRO C[C@@H]([NH2+]Cc1cccc(N)c1)c1ccc(N(C)C)cc1 ZINC000851951150 637557788 /nfs/dbraw/zinc/55/77/88/637557788.db2.gz VHHDDCLBMSISMF-CYBMUJFWSA-N 1 0 269.392 3.186 20 10 CGCDRO C[C@H]([NH2+]CCCCC[NH+]1CCCC1)c1c([O-])cccc1F ZINC000886615800 637606308 /nfs/dbraw/zinc/60/63/08/637606308.db2.gz NXXYXCIOWNKNMU-AWEZNQCLSA-N 1 0 294.414 3.448 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(C3CC3)no2)c1 ZINC000886684249 637650715 /nfs/dbraw/zinc/65/07/15/637650715.db2.gz IFDWWKIFJPZXJC-LLVKDONJSA-N 1 0 272.348 3.417 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](CCF)C2)cc1 ZINC000852533373 637674344 /nfs/dbraw/zinc/67/43/44/637674344.db2.gz UAFXFTHBTVBSTL-AWEZNQCLSA-N 1 0 264.388 3.324 20 10 CGCDRO CCCN(CCC)c1ccc(CN[C@@H](C)C[NH2+]C)cc1 ZINC000853250512 637794906 /nfs/dbraw/zinc/79/49/06/637794906.db2.gz RCXHTKSSFGITED-HNNXBMFYSA-N 1 0 277.456 3.011 20 10 CGCDRO C[N@H+](Cc1ccccc1O)Cc1cc(F)ccc1F ZINC000111235192 637804251 /nfs/dbraw/zinc/80/42/51/637804251.db2.gz UBAKUUJGIJMXAU-UHFFFAOYSA-N 1 0 263.287 3.302 20 10 CGCDRO C[C@@H]1C[C@H](C)[C@H](C)[N@H+](Cc2cc(F)ccc2O)C1 ZINC000300421808 637838548 /nfs/dbraw/zinc/83/85/48/637838548.db2.gz IZJJGFALCQGCCC-WOPDTQHZSA-N 1 0 251.345 3.398 20 10 CGCDRO CCSCCC[NH2+]Cc1c(O)cccc1Cl ZINC000300917856 637856249 /nfs/dbraw/zinc/85/62/49/637856249.db2.gz KUSVDHHTEXYERY-UHFFFAOYSA-N 1 0 259.802 3.278 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCO[C@@](C)(C3CC3)C2)cc1C ZINC000853527835 637862216 /nfs/dbraw/zinc/86/22/16/637862216.db2.gz GJCPUUVTBZZNDU-QGZVFWFLSA-N 1 0 275.392 3.010 20 10 CGCDRO COc1ccc(N2CC[C@@H](Nc3cccc(C)n3)C2)cc1 ZINC000853758608 637911576 /nfs/dbraw/zinc/91/15/76/637911576.db2.gz IFXKSMLWAAVPGI-CQSZACIVSA-N 1 0 283.375 3.089 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc(N)c2)c(O)c1 ZINC000854216509 638025280 /nfs/dbraw/zinc/02/52/80/638025280.db2.gz BEDKJNLXZSCXBS-LBPRGKRZSA-N 1 0 256.349 3.134 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CCc2cc(N)ccc21)c1cc(F)ccc1O ZINC000854228008 638028392 /nfs/dbraw/zinc/02/83/92/638028392.db2.gz YMYYKFZDJLLONM-HWPZZCPQSA-N 1 0 286.350 3.452 20 10 CGCDRO COc1ccc(N2CCC([NH2+]CC3CC(C)C3)CC2)cc1 ZINC000856810808 638394041 /nfs/dbraw/zinc/39/40/41/638394041.db2.gz XTIIJPJXTDWKER-UHFFFAOYSA-N 1 0 288.435 3.300 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cccc2c1OCO2 ZINC000924902094 638422894 /nfs/dbraw/zinc/42/28/94/638422894.db2.gz WJKIKZRCQNYHSB-GFCCVEGCSA-N 1 0 297.354 3.201 20 10 CGCDRO CCc1cccc(C[NH2+]Cc2cc(OC)ccc2F)c1O ZINC000857057658 638445339 /nfs/dbraw/zinc/44/53/39/638445339.db2.gz HXEGSIGIRNGHPA-UHFFFAOYSA-N 1 0 289.350 3.392 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CC[C@@H]1CC1(F)F ZINC000857059280 638446267 /nfs/dbraw/zinc/44/62/67/638446267.db2.gz LBLXOZRNMZYEFK-CYBMUJFWSA-N 1 0 268.351 3.196 20 10 CGCDRO Cc1cccc(C[NH+]2CC(Cc3ccsc3)C2)c1O ZINC000857068565 638449423 /nfs/dbraw/zinc/44/94/23/638449423.db2.gz ZWSMWMJGPMTEKU-UHFFFAOYSA-N 1 0 273.401 3.437 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccccc1O ZINC000115629051 638569526 /nfs/dbraw/zinc/56/95/26/638569526.db2.gz IKDAVYKFQZADPA-UHFFFAOYSA-N 1 0 270.376 3.056 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000115629638 638569945 /nfs/dbraw/zinc/56/99/45/638569945.db2.gz MWCZJMKEBHXBLL-UHFFFAOYSA-N 1 0 296.414 3.286 20 10 CGCDRO Cc1ccc([C@@H](C)[N@@H+]2CCOc3ccc(N)cc3C2)c(O)c1 ZINC000925755144 638598356 /nfs/dbraw/zinc/59/83/56/638598356.db2.gz SJLYRRXAWLFNPX-CYBMUJFWSA-N 1 0 298.386 3.238 20 10 CGCDRO Cc1ccc(O[C@@H]2CC[N@H+](Cc3cc(C)ccc3O)C2)nc1 ZINC000858011416 638618208 /nfs/dbraw/zinc/61/82/08/638618208.db2.gz NQJVMGUYSQLBQK-MRXNPFEDSA-N 1 0 298.386 3.057 20 10 CGCDRO Cc1cc(C[NH2+]Cc2cn[nH]c2)c(C)n1-c1cccc(C)c1 ZINC000858292640 638673947 /nfs/dbraw/zinc/67/39/47/638673947.db2.gz CJNJWUJDDZRYLY-UHFFFAOYSA-N 1 0 294.402 3.415 20 10 CGCDRO Cc1cccc2c1C[C@H]([NH2+][C@H](C)c1ccccc1O)CO2 ZINC000858463143 638725526 /nfs/dbraw/zinc/72/55/26/638725526.db2.gz VCINTNOUJJXFFV-KGLIPLIRSA-N 1 0 283.371 3.355 20 10 CGCDRO CC[C@H]([NH2+]C[C@H]1CCCN1CC(F)F)c1ccccc1O ZINC000858479278 638734933 /nfs/dbraw/zinc/73/49/33/638734933.db2.gz MVWQQMAFRKZQEX-OCCSQVGLSA-N 1 0 298.377 3.162 20 10 CGCDRO Cc1ccc(NCC[NH2+][C@@H](C)c2ccc(C)cc2O)nc1 ZINC000927073085 638838410 /nfs/dbraw/zinc/83/84/10/638838410.db2.gz IHKADEYFPROUHA-AWEZNQCLSA-N 1 0 285.391 3.167 20 10 CGCDRO C[C@H]([NH2+]CCc1cccc2c1OCCO2)c1ccccc1O ZINC000927090724 638840425 /nfs/dbraw/zinc/84/04/25/638840425.db2.gz CFQMSPUPJQMTID-ZDUSSCGKSA-N 1 0 299.370 3.057 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)c1 ZINC000034675404 638866170 /nfs/dbraw/zinc/86/61/70/638866170.db2.gz FAKCQOFIIMTOPJ-LALPHHSUSA-N 1 0 263.381 3.315 20 10 CGCDRO CCC[N@H+](Cc1ccccc1O)Cc1cc(C)nnc1C ZINC000929752680 638947229 /nfs/dbraw/zinc/94/72/29/638947229.db2.gz DBAKMKYFODSOAG-UHFFFAOYSA-N 1 0 285.391 3.211 20 10 CGCDRO COc1ccc2c(c1)C[C@@H](C[NH2+][C@@H](C)c1ccccc1O)O2 ZINC000931554902 639169854 /nfs/dbraw/zinc/16/98/54/639169854.db2.gz SXRXLBWTZPYUKH-WFASDCNBSA-N 1 0 299.370 3.055 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H](CO)Cc2ccccc2C)c(O)c1 ZINC000191556401 640319390 /nfs/dbraw/zinc/31/93/90/640319390.db2.gz PYJFPYIYLKHDQD-WBVHZDCISA-N 1 0 299.414 3.263 20 10 CGCDRO CCOc1cccc(C[NH2+]CC2(SC)CCC2)c1O ZINC000193648485 640482639 /nfs/dbraw/zinc/48/26/39/640482639.db2.gz OCEVVMXXMKLOCE-UHFFFAOYSA-N 1 0 281.421 3.166 20 10 CGCDRO CC(C)[C@@H](O)C(C)(C)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000090810572 640694283 /nfs/dbraw/zinc/69/42/83/640694283.db2.gz LJQFTCPYYZZXHW-RHSMWYFYSA-N 1 0 292.467 3.446 20 10 CGCDRO C[C@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000090966067 640697791 /nfs/dbraw/zinc/69/77/91/640697791.db2.gz VPPSTVIWRQJBCT-MCIONIFRSA-N 1 0 276.424 3.359 20 10 CGCDRO C[C@H](C[C@@H](O)c1ccco1)[NH2+][C@H](C)c1ccccc1O ZINC000248386786 640754108 /nfs/dbraw/zinc/75/41/08/640754108.db2.gz NXGGPMJHJZWOSR-LALPHHSUSA-N 1 0 275.348 3.148 20 10 CGCDRO CN(CC[C@H]1CCCC[N@@H+]1C)Cc1cc(Cl)ccc1O ZINC000093660026 640778905 /nfs/dbraw/zinc/77/89/05/640778905.db2.gz VKZHZKHJRNAEMN-OAHLLOKOSA-N 1 0 296.842 3.352 20 10 CGCDRO C[C@H]([NH2+]Cc1cccs1)c1cc(F)ccc1O ZINC000094616917 640799099 /nfs/dbraw/zinc/79/90/99/640799099.db2.gz UVZTYIHFRYZFBO-VIFPVBQESA-N 1 0 251.326 3.444 20 10 CGCDRO COc1cccc(C[NH2+][C@H]2C[C@H](C)C[C@H](C)C2)c1O ZINC000251785785 640833875 /nfs/dbraw/zinc/83/38/75/640833875.db2.gz FSESKUCYPKUJKB-IMRBUKKESA-N 1 0 263.381 3.315 20 10 CGCDRO C[C@@H]1CCC[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)[C@H]1C ZINC000252109137 640837549 /nfs/dbraw/zinc/83/75/49/640837549.db2.gz HMQSCTIIBLDNNZ-MDZLAQPJSA-N 1 0 277.364 3.035 20 10 CGCDRO C[C@@](O)(C[NH2+]Cc1cc(Cl)ccc1O)c1ccccc1 ZINC000304106924 640855842 /nfs/dbraw/zinc/85/58/42/640855842.db2.gz KGUPIZJCKOJSBR-MRXNPFEDSA-N 1 0 291.778 3.043 20 10 CGCDRO CC[C@H](C)[C@](C)(O)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001251801769 805938017 /nfs/dbraw/zinc/93/80/17/805938017.db2.gz UUGHZGCWLNHZGJ-MAUKXSAKSA-N 1 0 290.451 3.174 20 10 CGCDRO Oc1cc2ccccc2cc1C[NH2+]C[C@H](O)c1ccccc1 ZINC001252011494 805973997 /nfs/dbraw/zinc/97/39/97/805973997.db2.gz YQBHFOTWRYMJTE-IBGZPJMESA-N 1 0 293.366 3.369 20 10 CGCDRO CCCC[C@@H](O)C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC001252109539 806000209 /nfs/dbraw/zinc/00/02/09/806000209.db2.gz YUJPZFLHMQNYPJ-GOSISDBHSA-N 1 0 290.451 3.318 20 10 CGCDRO Nc1ccc(Cc2ccccc2NC2=C[NH2+]CCC2)cc1 ZINC001159741283 806165490 /nfs/dbraw/zinc/16/54/90/806165490.db2.gz JHBYBDOVSYJRLO-UHFFFAOYSA-N 1 0 279.387 3.496 20 10 CGCDRO Nc1cccc(NCc2cc3ccccc3cc2O)[nH+]1 ZINC001160207940 806234851 /nfs/dbraw/zinc/23/48/51/806234851.db2.gz XKAJMUOVLYGJQQ-UHFFFAOYSA-N 1 0 265.316 3.135 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCc2cccc(F)c2)c1 ZINC000036778680 798850751 /nfs/dbraw/zinc/85/07/51/798850751.db2.gz SLOUCWVCKUROEX-LBPRGKRZSA-N 1 0 289.350 3.433 20 10 CGCDRO C[C@H](Cc1cccs1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000037363277 798866414 /nfs/dbraw/zinc/86/64/14/798866414.db2.gz OUXLJNIMJBJBDM-GFCCVEGCSA-N 1 0 273.401 3.404 20 10 CGCDRO C[C@@H](CCc1ccco1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000037362859 798866913 /nfs/dbraw/zinc/86/69/13/798866913.db2.gz HEGLRHWAWNHHQU-ZDUSSCGKSA-N 1 0 271.360 3.325 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)cc1C(C)C ZINC000045723096 798891683 /nfs/dbraw/zinc/89/16/83/798891683.db2.gz IOTYHAKAFMYRJL-UONOGXRCSA-N 1 0 277.408 3.433 20 10 CGCDRO c1csc(CC[NH2+]Cc2ccc(N3CCCC3)cc2)n1 ZINC000060229819 798902284 /nfs/dbraw/zinc/90/22/84/798902284.db2.gz NFANNMWNPLOAQT-UHFFFAOYSA-N 1 0 287.432 3.076 20 10 CGCDRO C[N@H+](Cc1ccccc1O)Cc1ccccc1-n1cccn1 ZINC000091956476 798956206 /nfs/dbraw/zinc/95/62/06/798956206.db2.gz YLYGMHPESSHZER-UHFFFAOYSA-N 1 0 293.370 3.210 20 10 CGCDRO CC[N@H+](Cc1ccc[nH]1)Cc1ccc(N(C)C)cc1 ZINC000191059427 799125142 /nfs/dbraw/zinc/12/51/42/799125142.db2.gz MVTBLSBPNIDMPR-UHFFFAOYSA-N 1 0 257.381 3.103 20 10 CGCDRO Cc1cc(CNCc2ccn(C)n2)c(C)n1-c1ccccc1 ZINC000316927219 799243160 /nfs/dbraw/zinc/24/31/60/799243160.db2.gz MVOSJYILZXOGAO-UHFFFAOYSA-N 1 0 294.402 3.117 20 10 CGCDRO CCC[C@@H](C[NH2+][C@H](CC)c1ccccc1O)OC ZINC000378666740 799342771 /nfs/dbraw/zinc/34/27/71/799342771.db2.gz AZBSCQXVSHAOHE-GXTWGEPZSA-N 1 0 251.370 3.248 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C2(COC)CCC2)cc1 ZINC000378788719 799344095 /nfs/dbraw/zinc/34/40/95/799344095.db2.gz PXBPOCFLCHLMAE-UHFFFAOYSA-N 1 0 276.424 3.192 20 10 CGCDRO CC(F)(F)CC[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000379226271 799349320 /nfs/dbraw/zinc/34/93/20/799349320.db2.gz MLJKPVUTYOYXAY-UHFFFAOYSA-N 1 0 268.351 3.422 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1CC1(Cl)Cl)c1ccccc1O ZINC000381491701 799380516 /nfs/dbraw/zinc/38/05/16/799380516.db2.gz YCMPPLJBSHJXEK-BDAKNGLRSA-N 1 0 260.164 3.237 20 10 CGCDRO CC[C@H]1CC[C@@H]1[NH2+]CCCSc1nccs1 ZINC000381569394 799381263 /nfs/dbraw/zinc/38/12/63/799381263.db2.gz WJPMQGCJFQWHTF-QWRGUYRKSA-N 1 0 256.440 3.404 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@H](C)CCCO ZINC000384296977 799415951 /nfs/dbraw/zinc/41/59/51/799415951.db2.gz APDDZOCKJNRUMZ-BNOWGMLFSA-N 1 0 277.408 3.247 20 10 CGCDRO C[C@@H]([NH2+][C@H](C)C(C)(C)O)c1ccc2ccccc2c1O ZINC000393971386 799492461 /nfs/dbraw/zinc/49/24/61/799492461.db2.gz MTSDLHLLAXUCDM-VXGBXAGGSA-N 1 0 273.376 3.355 20 10 CGCDRO CC(C)[C@@H](CO)C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000394099759 799494145 /nfs/dbraw/zinc/49/41/45/799494145.db2.gz YZKZJXYGMGRGOH-QGZVFWFLSA-N 1 0 290.451 3.031 20 10 CGCDRO C[C@@H]([NH2+][C@@H]1CS[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000397822191 799521103 /nfs/dbraw/zinc/52/11/03/799521103.db2.gz FFVQWILARRECAA-BZPMIXESSA-N 1 0 264.438 3.297 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)c1O ZINC000403331779 799565683 /nfs/dbraw/zinc/56/56/83/799565683.db2.gz CTMLQAGYRHFSGJ-MRVWCRGKSA-N 1 0 261.365 3.069 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000403696992 799570658 /nfs/dbraw/zinc/57/06/58/799570658.db2.gz PEMPRAVHFAXPKU-YHWZYXNKSA-N 1 0 267.369 3.048 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1CCC[C@@H](C)O1)c1cc(F)ccc1O ZINC000688885712 799758291 /nfs/dbraw/zinc/75/82/91/799758291.db2.gz UAGQQXMUVSENQG-NQBHXWOUSA-N 1 0 267.344 3.140 20 10 CGCDRO CCOc1cccc(C[NH2+]CCCC2CCC2)c1O ZINC000689052763 799759334 /nfs/dbraw/zinc/75/93/34/799759334.db2.gz WZAIJCKUWJEPED-UHFFFAOYSA-N 1 0 263.381 3.461 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]CCc2ncc(C)cc2C)c1 ZINC000689484066 799765185 /nfs/dbraw/zinc/76/51/85/799765185.db2.gz HSWSWFAXJVHQOY-UHFFFAOYSA-N 1 0 270.376 3.045 20 10 CGCDRO Cc1ccc(CC[NH2+][C@H]2CCc3cccc(O)c32)o1 ZINC000689781066 799769418 /nfs/dbraw/zinc/76/94/18/799769418.db2.gz HYAHBDMNSLKBNG-AWEZNQCLSA-N 1 0 257.333 3.113 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCC[C@@H](CCF)C2)c1O ZINC000689879678 799770307 /nfs/dbraw/zinc/77/03/07/799770307.db2.gz AQVYXPSLAGJJHR-ZDUSSCGKSA-N 1 0 251.345 3.272 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@H]2Cc3ccccc32)c1O ZINC000691474146 799784332 /nfs/dbraw/zinc/78/43/32/799784332.db2.gz NNJQQWQLVSGVQY-MRXNPFEDSA-N 1 0 267.372 3.384 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H]2CC[C@@H](SC)C2)c1O ZINC000691501303 799785672 /nfs/dbraw/zinc/78/56/72/799785672.db2.gz VBPTYZAYALRUSD-ZIAGYGMSSA-N 1 0 265.422 3.328 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)Cc1ccccn1)c1ccccc1O ZINC000694036502 799820462 /nfs/dbraw/zinc/82/04/62/799820462.db2.gz AIQVUFRDOWGEEO-QWHCGFSZSA-N 1 0 256.349 3.069 20 10 CGCDRO Nc1ccc(CC[NH2+][C@@H]2CCCC[C@@H]2C2CC2)cc1 ZINC000695959855 799835557 /nfs/dbraw/zinc/83/55/57/799835557.db2.gz VVYYZUXNQNHYGQ-IAGOWNOFSA-N 1 0 258.409 3.370 20 10 CGCDRO CN1CCCc2cc(C[NH2+]C3CC4(CCC4)C3)ccc21 ZINC000697741598 799848500 /nfs/dbraw/zinc/84/85/00/799848500.db2.gz FKRHWEPFNCZATE-UHFFFAOYSA-N 1 0 270.420 3.491 20 10 CGCDRO C[C@H]([NH2+]CCSCC(F)(F)F)c1cc(F)ccc1O ZINC000698953887 799858068 /nfs/dbraw/zinc/85/80/68/799858068.db2.gz USACQXIVIPGGDV-QMMMGPOBSA-N 1 0 297.317 3.477 20 10 CGCDRO [NH3+]Cc1ccc2c(c1)CCCN2CC[C@@H]1CC1(Cl)Cl ZINC000700815056 799879444 /nfs/dbraw/zinc/87/94/44/799879444.db2.gz XFYWWNFZNDHWTG-CYBMUJFWSA-N 1 0 299.245 3.482 20 10 CGCDRO C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(Br)cc1O ZINC000701044230 799883242 /nfs/dbraw/zinc/88/32/42/799883242.db2.gz PEGAOQBSYIFQHI-JOYOIKCWSA-N 1 0 284.197 3.433 20 10 CGCDRO Oc1ccc2ccccc2c1C[NH+]1CCC(F)CC1 ZINC000701656793 799891976 /nfs/dbraw/zinc/89/19/76/799891976.db2.gz HQXVUPWDRTUPJH-UHFFFAOYSA-N 1 0 259.324 3.479 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C2CCC(C)(O)CC2)c(O)c1 ZINC000703546755 799926052 /nfs/dbraw/zinc/92/60/52/799926052.db2.gz WTINCGXUFWKNCK-FUJMWEONSA-N 1 0 263.381 3.045 20 10 CGCDRO CCOC1CCC([NH2+]Cc2cc(C)ccc2O)CC1 ZINC000703809388 799930070 /nfs/dbraw/zinc/93/00/70/799930070.db2.gz YNXDDHLDVTYFRG-UHFFFAOYSA-N 1 0 263.381 3.138 20 10 CGCDRO COC1CCC([NH2+][C@@H](C)c2cc(C)ccc2O)CC1 ZINC000703831447 799930908 /nfs/dbraw/zinc/93/09/08/799930908.db2.gz LMSBLLLTAMUWFG-HSBZDZAISA-N 1 0 263.381 3.309 20 10 CGCDRO COC1CCC([NH2+][C@H](C)c2cc(F)ccc2O)CC1 ZINC000703834447 799931084 /nfs/dbraw/zinc/93/10/84/799931084.db2.gz AECNWXFGMVZVKN-QFWMXSHPSA-N 1 0 267.344 3.140 20 10 CGCDRO Oc1cccc(Br)c1C[NH2+][C@]12C[C@H]1CCC2 ZINC000706804651 799966045 /nfs/dbraw/zinc/96/60/45/799966045.db2.gz MWBYHABVRRPXLB-NOZJJQNGSA-N 1 0 282.181 3.187 20 10 CGCDRO COc1ccc(C[NH2+]CC[C@@H]2CCSC2)cc1C ZINC000704789486 799940392 /nfs/dbraw/zinc/94/03/92/799940392.db2.gz GAUHNDOQFMHCQL-CYBMUJFWSA-N 1 0 265.422 3.236 20 10 CGCDRO C[C@@H]([NH2+]CC[C@H]1CCSC1)c1ccccc1O ZINC000704919335 799944368 /nfs/dbraw/zinc/94/43/68/799944368.db2.gz SLWXGQPQCXISNM-NEPJUHHUSA-N 1 0 251.395 3.186 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+][C@H](C)C2(C)CC2)c1O ZINC000706905795 799968604 /nfs/dbraw/zinc/96/86/04/799968604.db2.gz QICYCHFQUMTSLJ-SECBINFHSA-N 1 0 269.772 3.332 20 10 CGCDRO CC[C@@H](C)[N@H+](C)Cc1c(O)cccc1Br ZINC000707129668 799973920 /nfs/dbraw/zinc/97/39/20/799973920.db2.gz OWLKDVJUVOCFOL-SECBINFHSA-N 1 0 272.186 3.385 20 10 CGCDRO C[C@H]1C[C@@H]([NH2+]Cc2cccc(O)c2O)CC(C)(C)C1 ZINC000708342811 799986566 /nfs/dbraw/zinc/98/65/66/799986566.db2.gz ZDQAHVGKGDBEKU-WCQYABFASA-N 1 0 263.381 3.402 20 10 CGCDRO C[C@@H]1CCCCC[N@@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000708421405 799988629 /nfs/dbraw/zinc/98/86/29/799988629.db2.gz FJMUMXBLRFWGJW-SNVBAGLBSA-N 1 0 255.308 3.435 20 10 CGCDRO Nc1ccc(CNc2ccc3c([nH+]2)CCCC3)cc1 ZINC000712384409 800086256 /nfs/dbraw/zinc/08/62/56/800086256.db2.gz ZZFZOQSMNIMKCN-UHFFFAOYSA-N 1 0 253.349 3.155 20 10 CGCDRO CC1([NH2+]Cc2cc(Cl)ccc2O)CC(F)(F)C1 ZINC000720924618 800272098 /nfs/dbraw/zinc/27/20/98/800272098.db2.gz YBKUTINMWXMIMG-UHFFFAOYSA-N 1 0 261.699 3.323 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1)c1ccccc1O ZINC000723628393 800331699 /nfs/dbraw/zinc/33/16/99/800331699.db2.gz HNEBZPGFDQGCJZ-ZQDZILKHSA-N 1 0 275.392 3.248 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1)c1ccccc1O ZINC000723628388 800332302 /nfs/dbraw/zinc/33/23/02/800332302.db2.gz HNEBZPGFDQGCJZ-GBJTYRQASA-N 1 0 275.392 3.248 20 10 CGCDRO CC[C@H]([NH2+][C@@H](CCO)C1CCCC1)c1ccccc1O ZINC000725073269 800372162 /nfs/dbraw/zinc/37/21/62/800372162.db2.gz XPRDFQMWJRYUBQ-HOTGVXAUSA-N 1 0 277.408 3.374 20 10 CGCDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cc(OC)c(C)cc1O ZINC000774621442 800386939 /nfs/dbraw/zinc/38/69/39/800386939.db2.gz QJHIFEYRLKLMHJ-SMDDNHRTSA-N 1 0 263.381 3.330 20 10 CGCDRO COc1cccc(C[NH2+]Cc2cc(C)ccc2O)c1F ZINC000824794503 800472097 /nfs/dbraw/zinc/47/20/97/800472097.db2.gz MROLBTZLGNAEIT-UHFFFAOYSA-N 1 0 275.323 3.138 20 10 CGCDRO CC(C)[C@@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001116507826 802368486 /nfs/dbraw/zinc/36/84/86/802368486.db2.gz UYHUNSFGBAARAS-SFHVURJKSA-N 1 0 288.435 3.144 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc(N)cc1)c1c(C)noc1C ZINC001120269054 802737400 /nfs/dbraw/zinc/73/74/00/802737400.db2.gz MECYIWQFQPXDHV-CQSZACIVSA-N 1 0 259.353 3.115 20 10 CGCDRO Nc1ccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC001120263264 802737705 /nfs/dbraw/zinc/73/77/05/802737705.db2.gz MJLGXOOBYRVGKO-UHFFFAOYSA-N 1 0 297.358 3.342 20 10 CGCDRO Cc1cc(C[N@H+]2CC[C@H](O)C[C@H]2C)c(C)n1-c1ccccc1 ZINC001137858177 803785496 /nfs/dbraw/zinc/78/54/96/803785496.db2.gz ZNWODWVINPJADP-KUHUBIRLSA-N 1 0 298.430 3.439 20 10 CGCDRO Cc1cc(C[N@@H+]2CC[C@@]23CCOC3)c(C)n1-c1ccccc1 ZINC001137859411 803787456 /nfs/dbraw/zinc/78/74/56/803787456.db2.gz XGNJWZVKXOBVRP-IBGZPJMESA-N 1 0 296.414 3.459 20 10 CGCDRO CCCCCC[NH+]1CCN(Cc2cccc(F)c2O)CC1 ZINC001138127687 803863234 /nfs/dbraw/zinc/86/32/34/803863234.db2.gz MKDAAUYDZLNVKU-UHFFFAOYSA-N 1 0 294.414 3.229 20 10 CGCDRO CCCC[NH+]1CCC([N@H+](C)Cc2cccc(F)c2[O-])CC1 ZINC001138130547 803865914 /nfs/dbraw/zinc/86/59/14/803865914.db2.gz CMOOODZNAFSGND-UHFFFAOYSA-N 1 0 294.414 3.228 20 10 CGCDRO C[C@H]1C[C@H](O)CC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC001138219764 803874361 /nfs/dbraw/zinc/87/43/61/803874361.db2.gz NCUDCGHIJOJTBD-MAUKXSAKSA-N 1 0 288.435 3.022 20 10 CGCDRO C[C@@H]1C[C@@H](O)CC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC001138219766 803875246 /nfs/dbraw/zinc/87/52/46/803875246.db2.gz NCUDCGHIJOJTBD-QAPCUYQASA-N 1 0 288.435 3.022 20 10 CGCDRO Cc1c(C[N@@H+]2CCC[C@@H](O)[C@H](C)C2)c2ccccc2n1C ZINC001138252298 803879294 /nfs/dbraw/zinc/87/92/94/803879294.db2.gz AWECDGUSRMTCES-FZKQIMNGSA-N 1 0 286.419 3.080 20 10 CGCDRO Cc1c(C[N@H+]2C[C@@H](CO)CC[C@@H]2C)c2ccccc2n1C ZINC001138252676 803881054 /nfs/dbraw/zinc/88/10/54/803881054.db2.gz PQYSPEKSZKSYKG-ZFWWWQNUSA-N 1 0 286.419 3.080 20 10 CGCDRO COCC1CC[NH+](Cc2c(C)n(C)c3ccccc32)CC1 ZINC001138252735 803882574 /nfs/dbraw/zinc/88/25/74/803882574.db2.gz SEIRAINJFGXXHJ-UHFFFAOYSA-N 1 0 286.419 3.345 20 10 CGCDRO Cc1c(CN2CC[NH+](CC3CC3)CC2)c2ccccc2n1C ZINC001138257152 803883161 /nfs/dbraw/zinc/88/31/61/803883161.db2.gz YGNSMWJWXRADNR-UHFFFAOYSA-N 1 0 297.446 3.014 20 10 CGCDRO CO[C@H]1CCC[N@H+](Cc2c(C)n(C)c3ccccc32)CC1 ZINC001138258112 803884563 /nfs/dbraw/zinc/88/45/63/803884563.db2.gz LTANZWARWAIRNE-HNNXBMFYSA-N 1 0 286.419 3.488 20 10 CGCDRO Cc1c(C[N@@H+]2CCC[C@@H](CCO)C2)c2ccccc2n1C ZINC001138258145 803885162 /nfs/dbraw/zinc/88/51/62/803885162.db2.gz NERBHVCSTAINIG-HNNXBMFYSA-N 1 0 286.419 3.081 20 10 CGCDRO C[C@@H]1C[C@@H](F)C[N@@H+]1Cc1ccc2c(c1)CCCN2C ZINC001138354967 803901434 /nfs/dbraw/zinc/90/14/34/803901434.db2.gz XACFSOABWCQFLF-IUODEOHRSA-N 1 0 262.372 3.001 20 10 CGCDRO CCCO[C@H]1CC[N@H+](Cc2ccc3c(c2)CCCN3C)C1 ZINC001138358401 803903072 /nfs/dbraw/zinc/90/30/72/803903072.db2.gz QLNFBIHHMYBPKT-KRWDZBQOSA-N 1 0 288.435 3.070 20 10 CGCDRO Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CCC2(CCC2)C1 ZINC001139129671 804133550 /nfs/dbraw/zinc/13/35/50/804133550.db2.gz CBCGYNQJERYBLY-UHFFFAOYSA-N 1 0 299.370 3.183 20 10 CGCDRO CC[C@@H]1CC[N@H+](Cc2c([O-])ccc3c(C)cc(=O)oc32)C1 ZINC001139129898 804133921 /nfs/dbraw/zinc/13/39/21/804133921.db2.gz JNQCQTZISOKJTQ-GFCCVEGCSA-N 1 0 287.359 3.039 20 10 CGCDRO CC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(N)cc1 ZINC001246169589 804184973 /nfs/dbraw/zinc/18/49/73/804184973.db2.gz IADQVLPUFMMXND-KRWDZBQOSA-N 1 0 254.377 3.380 20 10 CGCDRO Cc1cc(C[N@H+](C)C2CC(F)(F)C2)ccc1N(C)C ZINC001139669634 804245965 /nfs/dbraw/zinc/24/59/65/804245965.db2.gz FFBRTKHOMIGICU-UHFFFAOYSA-N 1 0 268.351 3.291 20 10 CGCDRO COC(C)(C)[C@@H]1CCC[N@@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC001139672855 804248604 /nfs/dbraw/zinc/24/86/04/804248604.db2.gz JOVSQPJBAIMBOG-KRWDZBQOSA-N 1 0 290.451 3.450 20 10 CGCDRO Cn1c(C[N@@H+]2CCc3cccc(O)c3C2)cc2ccccc21 ZINC001139872137 804302561 /nfs/dbraw/zinc/30/25/61/804302561.db2.gz GXSDDGGGWOSLSE-UHFFFAOYSA-N 1 0 292.382 3.442 20 10 CGCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@H]3CCCO[C@H]3C2)c1O ZINC001140179492 804396428 /nfs/dbraw/zinc/39/64/28/804396428.db2.gz FGRRCYCLRSHMQF-ZBFHGGJFSA-N 1 0 275.392 3.010 20 10 CGCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@H](Oc3ccncc3)C2)c1O ZINC001140183325 804396673 /nfs/dbraw/zinc/39/66/73/804396673.db2.gz CABKXWZCUFRXAA-INIZCTEOSA-N 1 0 298.386 3.057 20 10 CGCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@H](Oc3cccnc3)C2)c1O ZINC001140179394 804396873 /nfs/dbraw/zinc/39/68/73/804396873.db2.gz JRUGNPDMRBCHDJ-INIZCTEOSA-N 1 0 298.386 3.057 20 10 CGCDRO CCC[N@H+](Cc1c(C)ccc(C)c1O)C1CCOCC1 ZINC001140183301 804397247 /nfs/dbraw/zinc/39/72/47/804397247.db2.gz AYPIPFPXCPYBDK-UHFFFAOYSA-N 1 0 277.408 3.400 20 10 CGCDRO Cc1ccc(C)c(C[NH+]2CCC(OC(C)C)CC2)c1O ZINC001140179755 804397396 /nfs/dbraw/zinc/39/73/96/804397396.db2.gz OEVSZHZXDCXJMQ-UHFFFAOYSA-N 1 0 277.408 3.398 20 10 CGCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@]3(C2)CC(F)(F)CO3)c1O ZINC001140184217 804399470 /nfs/dbraw/zinc/39/94/70/804399470.db2.gz NOXQTRNJPGLHIT-OAHLLOKOSA-N 1 0 297.345 3.009 20 10 CGCDRO Cc1ccc(C[N@@H+](C)Cc2c(C)ccc(C)c2O)cn1 ZINC001140185476 804399677 /nfs/dbraw/zinc/39/96/77/804399677.db2.gz WWDAGDAVGGAQIV-UHFFFAOYSA-N 1 0 270.376 3.344 20 10 CGCDRO C[C@H]1CC[N@H+](Cc2c(O)cccc2Cl)CC[C@]1(C)O ZINC001140337724 804418287 /nfs/dbraw/zinc/41/82/87/804418287.db2.gz BCSPTPFDRCALOL-NHYWBVRUSA-N 1 0 283.799 3.029 20 10 CGCDRO Oc1cc(Cl)ccc1C[NH+]1CCC2(CCCOC2)CC1 ZINC001140464220 804441140 /nfs/dbraw/zinc/44/11/40/804441140.db2.gz HGPHLSJAEFNUEY-UHFFFAOYSA-N 1 0 295.810 3.438 20 10 CGCDRO Oc1cc(Cl)ccc1C[N@@H+]1CCC[C@H](CF)C1 ZINC001140467509 804442613 /nfs/dbraw/zinc/44/26/13/804442613.db2.gz WDVWWMOPKZUFTR-SNVBAGLBSA-N 1 0 257.736 3.227 20 10 CGCDRO [O-]c1cc(F)cc(F)c1C[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC001140583475 804466418 /nfs/dbraw/zinc/46/64/18/804466418.db2.gz ILWSARHWXFXJLC-SSDOTTSWSA-N 1 0 281.224 3.055 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@](CF)(C(F)(F)F)C2)c1 ZINC001140619270 804476669 /nfs/dbraw/zinc/47/66/69/804476669.db2.gz ACMMDTRVLNHEQZ-CYBMUJFWSA-N 1 0 291.288 3.425 20 10 CGCDRO Cc1ccc(O)c(C[N@H+]2CCN(C)[C@@H](c3ccccc3)C2)c1 ZINC001140620882 804476803 /nfs/dbraw/zinc/47/68/03/804476803.db2.gz FAFDTUKMWWFAFM-GOSISDBHSA-N 1 0 296.414 3.189 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H]2COCc2ccccc2)c1 ZINC001140621289 804476898 /nfs/dbraw/zinc/47/68/98/804476898.db2.gz URTIZQUCDRAWIA-GOSISDBHSA-N 1 0 297.398 3.492 20 10 CGCDRO Cc1ccc(O)c(C[N@H+](C)Cc2ccc(C)nc2)c1 ZINC001140623704 804478436 /nfs/dbraw/zinc/47/84/36/804478436.db2.gz QQCBVSRRXRALLO-UHFFFAOYSA-N 1 0 256.349 3.036 20 10 CGCDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@H]2c2ccncc2)c1O ZINC001140745333 804502386 /nfs/dbraw/zinc/50/23/86/804502386.db2.gz GCIBUGUMBGCVEG-HNNXBMFYSA-N 1 0 284.359 3.138 20 10 CGCDRO CC[N@H+](Cc1ccccc1)Cc1ccc(O)c(C)c1O ZINC001140742225 804503244 /nfs/dbraw/zinc/50/32/44/804503244.db2.gz KRRGADSTOJZPCN-UHFFFAOYSA-N 1 0 271.360 3.428 20 10 CGCDRO CC(C)[N@H+](C)Cc1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256931967 807014061 /nfs/dbraw/zinc/01/40/61/807014061.db2.gz XWTDCCPIURBORP-UHFFFAOYSA-N 1 0 296.374 3.368 20 10 CGCDRO CCN(CC)c1ccc(C[NH+]2C3CCC2CC3)c(O)c1 ZINC001140855419 804533364 /nfs/dbraw/zinc/53/33/64/804533364.db2.gz YGPRCQFTKBRXRE-UHFFFAOYSA-N 1 0 274.408 3.365 20 10 CGCDRO CC(=O)C1CC[NH+](Cc2ccc(N(C)C)cc2Cl)CC1 ZINC001140924405 804551064 /nfs/dbraw/zinc/55/10/64/804551064.db2.gz IPNZNVJBQQHTTN-UHFFFAOYSA-N 1 0 294.826 3.207 20 10 CGCDRO Cc1ccc(C[N@H+](C2CCC2)C2CCOCC2)c(O)c1 ZINC001140954113 804558785 /nfs/dbraw/zinc/55/87/85/804558785.db2.gz MADPLKSXKSIIAI-UHFFFAOYSA-N 1 0 275.392 3.234 20 10 CGCDRO Cc1ccc(C[N@@H+]2CC[C@H](Oc3ccncc3C)C2)c(O)c1 ZINC001140953519 804558938 /nfs/dbraw/zinc/55/89/38/804558938.db2.gz AYEOHIZWYRADRB-INIZCTEOSA-N 1 0 298.386 3.057 20 10 CGCDRO COc1cc(O)c(C[N@H+](C)CC2CCCCC2)c(OC)c1 ZINC001141029003 804575810 /nfs/dbraw/zinc/57/58/10/804575810.db2.gz GVVADRSKOKCULM-UHFFFAOYSA-N 1 0 293.407 3.422 20 10 CGCDRO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(O)ccc2O)cc1 ZINC001141158536 804600045 /nfs/dbraw/zinc/60/00/45/804600045.db2.gz CXWPJUIIAKNOPG-KRWDZBQOSA-N 1 0 299.370 3.444 20 10 CGCDRO Oc1ccc(O)c(C[N@@H+]2CC[C@H](Cc3ccccc3)C2)c1 ZINC001141160029 804601901 /nfs/dbraw/zinc/60/19/01/804601901.db2.gz PKIYAPZARHIDMO-OAHLLOKOSA-N 1 0 283.371 3.162 20 10 CGCDRO CN(C)c1cccc(C[N@@H+]2CCc3cccc(O)c3C2)c1 ZINC001141268346 804625913 /nfs/dbraw/zinc/62/59/13/804625913.db2.gz DVLRLUNCAJTTCU-UHFFFAOYSA-N 1 0 282.387 3.017 20 10 CGCDRO CC(C)(C)c1cccc(C[N@@H+]2CC[C@@]3(CCOC3)C2)c1O ZINC001143104383 804800978 /nfs/dbraw/zinc/80/09/78/804800978.db2.gz SMAWAFQXZPQUSG-GOSISDBHSA-N 1 0 289.419 3.302 20 10 CGCDRO C[N@H+](Cc1ccc(Cl)cc1)Cc1c(O)cc(O)cc1O ZINC001144508893 804997931 /nfs/dbraw/zinc/99/79/31/804997931.db2.gz BZPZVNWKNSXGST-UHFFFAOYSA-N 1 0 293.750 3.089 20 10 CGCDRO CCC[N@H+](C)Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001249224424 805114812 /nfs/dbraw/zinc/11/48/12/805114812.db2.gz YXYLFYOVEUCJHY-UHFFFAOYSA-N 1 0 261.365 3.418 20 10 CGCDRO CC1(C)C=Cc2c(O)c(C[NH+]3CC(C(F)F)C3)ccc2O1 ZINC001249263757 805123243 /nfs/dbraw/zinc/12/32/43/805123243.db2.gz WDXZVVKIKSZBNM-UHFFFAOYSA-N 1 0 295.329 3.273 20 10 CGCDRO CCN1CCc2ccc(C[N@H+](C)Cc3ccccc3O)cc21 ZINC001249665294 805208306 /nfs/dbraw/zinc/20/83/06/805208306.db2.gz SUMJAZLFKOPSDZ-UHFFFAOYSA-N 1 0 296.414 3.407 20 10 CGCDRO CNc1ccccc1NCC1CC[NH+](C(C)C)CC1 ZINC001166638446 807073796 /nfs/dbraw/zinc/07/37/96/807073796.db2.gz ZQDGPGWOFDVXJK-UHFFFAOYSA-N 1 0 261.413 3.261 20 10 CGCDRO CCC(CC)[NH+]1CCN(c2ccc(OC)cc2C)CC1 ZINC001257302325 807095559 /nfs/dbraw/zinc/09/55/59/807095559.db2.gz SSGVGPLYHKMIIJ-UHFFFAOYSA-N 1 0 276.424 3.314 20 10 CGCDRO CCCCOC(=O)CC[C@@H](C)[NH2+]Cc1cccc(C)c1O ZINC001257380801 807133536 /nfs/dbraw/zinc/13/35/36/807133536.db2.gz DXXZIGMGSRJKGB-CQSZACIVSA-N 1 0 293.407 3.302 20 10 CGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)[C@H]1CCCSC1 ZINC001257681095 807214700 /nfs/dbraw/zinc/21/47/00/807214700.db2.gz HDVYHKIFWHNQDC-INIZCTEOSA-N 1 0 278.465 3.470 20 10 CGCDRO Oc1cc(Br)ccc1C[NH2+][C@H]1C[C@H]2C[C@H]2C1 ZINC001167912806 807272963 /nfs/dbraw/zinc/27/29/63/807272963.db2.gz LCNVTDXOXKMFCF-IAZYJMLFSA-N 1 0 282.181 3.043 20 10 CGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)[C@@H]1CCO[C@@H](C)C1 ZINC001168138588 807321431 /nfs/dbraw/zinc/32/14/31/807321431.db2.gz AKSAMAIIFKALCR-WMLDXEAASA-N 1 0 276.424 3.142 20 10 CGCDRO Oc1ccccc1C[NH2+][C@@H]1CCc2cc(F)ccc2C1 ZINC001168400521 807405254 /nfs/dbraw/zinc/40/52/54/807405254.db2.gz NZESQQLKLBRNQV-MRXNPFEDSA-N 1 0 271.335 3.178 20 10 CGCDRO C[C@H]1CCC[C@@H]([N@@H+]2CCCc3cc(O)c(O)cc3C2)C1 ZINC001258826620 807641660 /nfs/dbraw/zinc/64/16/60/807641660.db2.gz DVNLLJTXDNZQTJ-SWLSCSKDSA-N 1 0 275.392 3.425 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CCSC[C@@H]2C2CC2)cc1 ZINC001170460751 807846852 /nfs/dbraw/zinc/84/68/52/807846852.db2.gz SEYADWIFUXFOLG-QGZVFWFLSA-N 1 0 290.476 3.470 20 10 CGCDRO CCCCCC[C@@H](CC)[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001170582815 807858918 /nfs/dbraw/zinc/85/89/18/807858918.db2.gz XSAXIIZGSLACSG-PBHICJAKSA-N 1 0 295.423 3.470 20 10 CGCDRO Nc1ccc(C[NH2+]C2(c3nccs3)CCCC2)cc1 ZINC001262488125 807867621 /nfs/dbraw/zinc/86/76/21/807867621.db2.gz REFGKRXJTNMGBA-UHFFFAOYSA-N 1 0 273.405 3.284 20 10 CGCDRO CC(C)(C)[C@H]1OCCC[C@H]1C[NH2+]Cc1ccc(N)cc1 ZINC001262488317 807867878 /nfs/dbraw/zinc/86/78/78/807867878.db2.gz YFYURBKARSLKBU-HOCLYGCPSA-N 1 0 276.424 3.200 20 10 CGCDRO Cc1cc(F)ccc1CC[NH2+]Cc1ccc(N)cc1 ZINC001262487842 807868093 /nfs/dbraw/zinc/86/80/93/807868093.db2.gz HQKOOHIRVJKXCZ-UHFFFAOYSA-N 1 0 258.340 3.049 20 10 CGCDRO Cc1cccc2c1CC[C@@H]([NH2+]Cc1ccc(O)c(O)c1)C2 ZINC001171556389 808094335 /nfs/dbraw/zinc/09/43/35/808094335.db2.gz JJJCNUHGPOBBPI-OAHLLOKOSA-N 1 0 283.371 3.053 20 10 CGCDRO Oc1ccc(C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)c(O)c1 ZINC001172711124 808414839 /nfs/dbraw/zinc/41/48/39/808414839.db2.gz VUBVGMOAGVXWEH-CQSZACIVSA-N 1 0 289.762 3.008 20 10 CGCDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccccc1O ZINC001173214190 808539161 /nfs/dbraw/zinc/53/91/61/808539161.db2.gz MXYFPAIUTDTUON-GFCCVEGCSA-N 1 0 286.331 3.021 20 10 CGCDRO CCOC(=O)C[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2ccccc2O)C1 ZINC001173642431 808658801 /nfs/dbraw/zinc/65/88/01/808658801.db2.gz PKKXQULJVXOVQU-BFHYXJOUSA-N 1 0 291.391 3.165 20 10 CGCDRO Cc1c[nH+]ccc1Nc1cc(OC(F)(F)F)ccc1O ZINC001174538536 809070542 /nfs/dbraw/zinc/07/05/42/809070542.db2.gz JLKHJZZQPWBONN-UHFFFAOYSA-N 1 0 284.237 3.160 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@H](CC)C(C)(C)O)cc1C ZINC001178826764 809890074 /nfs/dbraw/zinc/89/00/74/809890074.db2.gz IVLUWJQMDKHSQE-MRXNPFEDSA-N 1 0 279.424 3.423 20 10 CGCDRO CO[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)C12CCC2 ZINC001178916204 809894187 /nfs/dbraw/zinc/89/41/87/809894187.db2.gz BSSNRIZNAJZCMV-DLBZAZTESA-N 1 0 287.403 3.059 20 10 CGCDRO CO[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001179085954 809903819 /nfs/dbraw/zinc/90/38/19/809903819.db2.gz JOHOWUIUBDZLRF-NVXWUHKLSA-N 1 0 275.392 3.059 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)cc1F ZINC001179228975 809909414 /nfs/dbraw/zinc/90/94/14/809909414.db2.gz XZJHADRNJCCCSQ-YUELXQCFSA-N 1 0 276.399 3.418 20 10 CGCDRO C[C@@H]1CC[C@H]([NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC001179756211 809942597 /nfs/dbraw/zinc/94/25/97/809942597.db2.gz YVSBMADBFRDKIF-HFTRVMKXSA-N 1 0 289.467 3.134 20 10 CGCDRO COCC1(C[NH2+]Cc2ccc(C)cc2O)CCCCC1 ZINC001182175423 810097034 /nfs/dbraw/zinc/09/70/34/810097034.db2.gz YCNTZGFXNUTNMI-UHFFFAOYSA-N 1 0 277.408 3.387 20 10 CGCDRO CC[C@@H](C)C[C@H](CO)[NH2+]Cc1c(C)c2ccccc2n1C ZINC001202921710 812200681 /nfs/dbraw/zinc/20/06/81/812200681.db2.gz IHGAGWADWNQSGK-UKRRQHHQSA-N 1 0 288.435 3.373 20 10 CGCDRO CCCOC1CC[NH+](Cc2cccc(OCC)c2O)CC1 ZINC001203609578 812405292 /nfs/dbraw/zinc/40/52/92/812405292.db2.gz YGIFGAFGGCTDDR-UHFFFAOYSA-N 1 0 293.407 3.182 20 10 CGCDRO C[C@@]1(CF)CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC001203651706 812415706 /nfs/dbraw/zinc/41/57/06/812415706.db2.gz SYEKEENLBJDETO-ZDUSSCGKSA-N 1 0 257.736 3.227 20 10 CGCDRO Oc1ccc2c(c1)CC[N@@H+](Cc1cc(Cl)ccc1O)C2 ZINC001203656549 812417128 /nfs/dbraw/zinc/41/71/28/812417128.db2.gz SBJBPPRARVZIKT-UHFFFAOYSA-N 1 0 289.762 3.310 20 10 CGCDRO Cc1cccc(C[N@@H+](C)Cc2ccc(O)c(O)c2)c1 ZINC001203873600 812477170 /nfs/dbraw/zinc/47/71/70/812477170.db2.gz HQYRQZCTWFQTMB-UHFFFAOYSA-N 1 0 257.333 3.038 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H]3CCC[C@H]3C2)cc1 ZINC001203931185 812494479 /nfs/dbraw/zinc/49/44/79/812494479.db2.gz OBNXMZMOWGTRKY-HOTGVXAUSA-N 1 0 258.409 3.375 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@](C)(O)[C@H](C)C2)cc1 ZINC001203939976 812497437 /nfs/dbraw/zinc/49/74/37/812497437.db2.gz HCPROBSAODOHIN-QAPCUYQASA-N 1 0 290.451 3.126 20 10 CGCDRO CCN(CC)c1ccc(CN2CC3(C2)CCCCO3)cc1 ZINC001203939956 812498010 /nfs/dbraw/zinc/49/80/10/812498010.db2.gz GXASMORSCZJVOM-UHFFFAOYSA-N 1 0 288.435 3.288 20 10 CGCDRO CC[N@H+](CCOC)Cc1ccc(N(C)C)c2ccccc12 ZINC001204234126 812581784 /nfs/dbraw/zinc/58/17/84/812581784.db2.gz XEZMPOLWSRLGMZ-UHFFFAOYSA-N 1 0 286.419 3.374 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)C2(C)COC2)c2ccccc21 ZINC001204240493 812583182 /nfs/dbraw/zinc/58/31/82/812583182.db2.gz VGQMJOABHVVZFB-UHFFFAOYSA-N 1 0 284.403 3.127 20 10 CGCDRO CO[C@H](C)C1C[NH+](Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001204240355 812583466 /nfs/dbraw/zinc/58/34/66/812583466.db2.gz PVQPFFUGJRMACT-CQSZACIVSA-N 1 0 298.430 3.373 20 10 CGCDRO Oc1ccc(C[N@@H+]2CC[C@@H](c3ccccc3)C2)c(O)c1 ZINC001204276562 812594466 /nfs/dbraw/zinc/59/44/66/812594466.db2.gz NFDGCFXHAXVXJS-CQSZACIVSA-N 1 0 269.344 3.087 20 10 CGCDRO CC(C)[C@@H]1COCC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001204323037 812613077 /nfs/dbraw/zinc/61/30/77/812613077.db2.gz ZLEGAHBHRCKJEC-SFHVURJKSA-N 1 0 288.435 3.144 20 10 CGCDRO c1cc(N2CCCC2)ccc1C[N@@H+]1CCOCC12CCC2 ZINC001204322054 812613214 /nfs/dbraw/zinc/61/32/14/812613214.db2.gz NCYOYYLQOYDOOH-UHFFFAOYSA-N 1 0 286.419 3.042 20 10 CGCDRO [NH3+]C[C@@H]1CCCCN1Cc1c(O)ccc(Cl)c1Cl ZINC001204932161 812782687 /nfs/dbraw/zinc/78/26/87/812782687.db2.gz HLLNQTBWHPQMDP-VIFPVBQESA-N 1 0 289.206 3.012 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+]C2(CO)CCCCC2)c1 ZINC001205306456 812943538 /nfs/dbraw/zinc/94/35/38/812943538.db2.gz ROECVBXCQHCVMY-UHFFFAOYSA-N 1 0 277.408 3.300 20 10 CGCDRO CC(C)(C)c1cccc(CN2CCCC[C@@H]([NH3+])C2)c1O ZINC001205930800 813137959 /nfs/dbraw/zinc/13/79/59/813137959.db2.gz DKOXSYPUCRVPNL-CQSZACIVSA-N 1 0 276.424 3.003 20 10 CGCDRO CC[N@@H+](Cc1ccccc1O)Cc1cccnc1C ZINC001207153466 813498663 /nfs/dbraw/zinc/49/86/63/813498663.db2.gz BKZPWUNREWARHS-UHFFFAOYSA-N 1 0 256.349 3.118 20 10 CGCDRO COc1cc(C)c(C[NH2+]C[C@@]2(C)CC2(C)C)c(O)c1 ZINC001207356445 813549222 /nfs/dbraw/zinc/54/92/22/813549222.db2.gz GWQJUMRACLJYRZ-MRXNPFEDSA-N 1 0 263.381 3.235 20 10 CGCDRO COC[C@@H](C[NH2+]Cc1ccc(Cl)cc1O)C(C)C ZINC001207658817 813629638 /nfs/dbraw/zinc/62/96/38/813629638.db2.gz WVOWMQRIXAAPRG-GFCCVEGCSA-N 1 0 271.788 3.054 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(C[N@H+]2C[C@@H](O)C[C@H]2C)cc1 ZINC001209516657 814070495 /nfs/dbraw/zinc/07/04/95/814070495.db2.gz LEYKPXCOBVSXJG-QAPCUYQASA-N 1 0 284.403 3.049 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CCCC[C@@H](O)C2)cc1 ZINC001209516334 814071243 /nfs/dbraw/zinc/07/12/43/814071243.db2.gz DJYSNROTJOXVTO-LJQANCHMSA-N 1 0 298.430 3.441 20 10 CGCDRO COC[C@@H]1CC[N@@H+]1Cc1ccc(-n2c(C)ccc2C)cc1 ZINC001209519690 814072797 /nfs/dbraw/zinc/07/27/97/814072797.db2.gz FDKWOHSRJVOVBQ-SFHVURJKSA-N 1 0 284.403 3.315 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(C[N@H+]2CC[C@H](O)C[C@@H]2C)cc1 ZINC001209520115 814072933 /nfs/dbraw/zinc/07/29/33/814072933.db2.gz NJTYDLNYTVCBTQ-LPHOPBHVSA-N 1 0 298.430 3.439 20 10 CGCDRO c1ccc2c(c1)CC[C@@H]2Oc1ccc(N2CC[NH2+]CC2)cc1 ZINC001217969270 816022975 /nfs/dbraw/zinc/02/29/75/816022975.db2.gz ULGNCWZLHSAXFX-IBGZPJMESA-N 1 0 294.398 3.163 20 10 CGCDRO Cc1cc(Cl)cc(CN2CCC[C@@]23CCC[NH2+]C3)c1O ZINC001222259523 816389147 /nfs/dbraw/zinc/38/91/47/816389147.db2.gz RUJSINHUISTXSA-MRXNPFEDSA-N 1 0 294.826 3.072 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCC[C@@H](Oc3cccnc3)C2)c1O ZINC001231592511 818131698 /nfs/dbraw/zinc/13/16/98/818131698.db2.gz NJNIUDJIQUOHOY-QGZVFWFLSA-N 1 0 298.386 3.139 20 10 CGCDRO Cc1cccc(C[N@@H+]2CC[C@@H](C(=O)c3ccccc3)C2)c1O ZINC001231594664 818133959 /nfs/dbraw/zinc/13/39/59/818133959.db2.gz MQXROEOGWWEVGD-QGZVFWFLSA-N 1 0 295.382 3.405 20 10 CGCDRO COc1cc(C[N@@H+]2CCC[C@H]3CCCC[C@H]32)c(O)cc1O ZINC001231636329 818144227 /nfs/dbraw/zinc/14/42/27/818144227.db2.gz SOHCQAOGQYJIEA-TZMCWYRMSA-N 1 0 291.391 3.261 20 10 CGCDRO CC[N@H+](Cc1cc2cc[nH]c2cn1)Cc1ccccc1O ZINC001231669923 818155200 /nfs/dbraw/zinc/15/52/00/818155200.db2.gz RNEXTQMUNCZYIW-UHFFFAOYSA-N 1 0 281.359 3.291 20 10 CGCDRO CC(C)Oc1ncccc1C[N@H+](C)Cc1ccccc1O ZINC001231761562 818169417 /nfs/dbraw/zinc/16/94/17/818169417.db2.gz GORNCVWDXGHYDU-UHFFFAOYSA-N 1 0 286.375 3.206 20 10 CGCDRO Cc1cc(C)c(C[N@@H+]2CCC[C@@]3(CCOC3)C2)c(O)c1 ZINC001231845037 818187262 /nfs/dbraw/zinc/18/72/62/818187262.db2.gz WFUKCSUSNLPNJK-QGZVFWFLSA-N 1 0 275.392 3.012 20 10 CGCDRO COC(C)(C)[C@H]1CCC[N@@H+]1Cc1c(C)cc(C)cc1O ZINC001231847029 818187840 /nfs/dbraw/zinc/18/78/40/818187840.db2.gz UQJFDMCCAQEQPZ-MRXNPFEDSA-N 1 0 277.408 3.398 20 10 CGCDRO Cc1cc(C)c(C[N@@H+]2CC[C@@H](C(F)(F)F)C2)c(O)c1 ZINC001231845642 818187871 /nfs/dbraw/zinc/18/78/71/818187871.db2.gz DYXIDOZJNZSYNK-LLVKDONJSA-N 1 0 273.298 3.393 20 10 CGCDRO Cc1cc(C)c(C[NH+]2CC(C)(C)OC(C)(C)C2)c(O)c1 ZINC001231849915 818189476 /nfs/dbraw/zinc/18/94/76/818189476.db2.gz VMVTWULBICHKID-UHFFFAOYSA-N 1 0 277.408 3.398 20 10 CGCDRO COc1cc(N(C)C)ccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001231854788 818189488 /nfs/dbraw/zinc/18/94/88/818189488.db2.gz LXPHDIQXCPZNAM-KBPBESRZSA-N 1 0 276.424 3.239 20 10 CGCDRO CC[N@H+](CCCC(=O)OC)Cc1cc(Cl)c(C)cc1O ZINC001231867555 818191251 /nfs/dbraw/zinc/19/12/51/818191251.db2.gz MHERQOQHMHOXSB-UHFFFAOYSA-N 1 0 299.798 3.129 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H]3C[C@H]32)cc1Cl ZINC001231870360 818193350 /nfs/dbraw/zinc/19/33/50/818193350.db2.gz VWBJVEUNFYOMHM-GXFFZTMASA-N 1 0 251.757 3.338 20 10 CGCDRO Oc1c(C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)ccc2ccccc21 ZINC001231881258 818199888 /nfs/dbraw/zinc/19/98/88/818199888.db2.gz UHMPZNOJAXAEAK-DZKIICNBSA-N 1 0 271.335 3.478 20 10 CGCDRO C[N@H+](Cc1ccno1)Cc1ccc2ccccc2c1O ZINC001231882378 818202936 /nfs/dbraw/zinc/20/29/36/818202936.db2.gz JDVBOIGYMRGUCF-UHFFFAOYSA-N 1 0 268.316 3.165 20 10 CGCDRO C[N@H+](Cc1ccc(N2CCOCC2)c(Cl)c1)C(C)(C)C ZINC001232198801 818275116 /nfs/dbraw/zinc/27/51/16/818275116.db2.gz IGVZVCMRKDCNRB-UHFFFAOYSA-N 1 0 296.842 3.407 20 10 CGCDRO CC[N@H+](Cc1ccncc1)Cc1cc(Cl)c(O)cc1O ZINC001232258591 818295884 /nfs/dbraw/zinc/29/58/84/818295884.db2.gz LJRPQTOGKGPWST-UHFFFAOYSA-N 1 0 292.766 3.168 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](C)C2)cc1Cl ZINC001232266161 818298462 /nfs/dbraw/zinc/29/84/62/818298462.db2.gz QZSGYOZBJRILBT-SNVBAGLBSA-N 1 0 269.772 3.286 20 10 CGCDRO C[N@H+](CCc1cccs1)Cc1cc(Cl)c(O)cc1O ZINC001232269128 818300217 /nfs/dbraw/zinc/30/02/17/818300217.db2.gz WJTYEMZYQNRBBN-UHFFFAOYSA-N 1 0 297.807 3.487 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2cc(C(C)(C)C)ccc2O)CC[C@@]1(C)O ZINC001233284034 818565732 /nfs/dbraw/zinc/56/57/32/818565732.db2.gz FJQKCVMACWGMII-FZKQIMNGSA-N 1 0 291.435 3.283 20 10 CGCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CCCC[C@H]2CO)c1 ZINC001233283468 818566162 /nfs/dbraw/zinc/56/61/62/818566162.db2.gz IDFCCUKATXSGFF-HNNXBMFYSA-N 1 0 277.408 3.037 20 10 CGCDRO C[C@@H]1CC[C@@H](CO)C[N@@H+]1Cc1cc(C(C)(C)C)ccc1O ZINC001233284337 818567791 /nfs/dbraw/zinc/56/77/91/818567791.db2.gz QSUCJBKWZRSUSX-ZIAGYGMSSA-N 1 0 291.435 3.283 20 10 CGCDRO CC(=O)[C@H]1CC[N@H+](Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001233286604 818568702 /nfs/dbraw/zinc/56/87/02/818568702.db2.gz AOSIWDXTWGBRIK-ZDUSSCGKSA-N 1 0 275.392 3.101 20 10 CGCDRO Oc1cc(C(F)(F)F)ccc1C[N@@H+]1C[C@H]2[C@H](CF)[C@H]2C1 ZINC001233454591 818623256 /nfs/dbraw/zinc/62/32/56/818623256.db2.gz AQTGFAZUKSBATN-CNDDSTCGSA-N 1 0 289.272 3.058 20 10 CGCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@H]2C2CCCCC2)cc1O ZINC001233486611 818624721 /nfs/dbraw/zinc/62/47/21/818624721.db2.gz UPEFWWKIMZBGKU-AWEZNQCLSA-N 1 0 291.391 3.348 20 10 CGCDRO CCN1CCc2cc(O[C@H]3CC[C@H]([NH+](C)C)CC3)ccc21 ZINC001233601024 818654973 /nfs/dbraw/zinc/65/49/73/818654973.db2.gz FMCBRWXITLJRHL-WKILWMFISA-N 1 0 288.435 3.321 20 10 CGCDRO CCC[C@H](C)Oc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC001234657845 818908010 /nfs/dbraw/zinc/90/80/10/818908010.db2.gz JPSGEUHQHWROQE-HNNXBMFYSA-N 1 0 276.424 3.396 20 10 CGCDRO CCC[C@@H](C)Oc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC001234657846 818908644 /nfs/dbraw/zinc/90/86/44/818908644.db2.gz JPSGEUHQHWROQE-OAHLLOKOSA-N 1 0 276.424 3.396 20 10 CGCDRO OC[C@@H]1CCC[N@H+](Cc2cccc(-c3ccccc3)c2O)C1 ZINC001234993568 818972835 /nfs/dbraw/zinc/97/28/35/818972835.db2.gz ZBTZXBIGLYNAFI-OAHLLOKOSA-N 1 0 297.398 3.264 20 10 CGCDRO Cc1cc(CN2CC[C@@H]3[NH2+]CC[C@@H]32)c(C)n1-c1ccccc1 ZINC001235003913 818977138 /nfs/dbraw/zinc/97/71/38/818977138.db2.gz OGPVHGBLCKMWAS-OALUTQOASA-N 1 0 295.430 3.030 20 10 CGCDRO Oc1cc(Cl)ccc1CN1CCCC[C@]12CCC[NH2+]C2 ZINC001235168341 819020985 /nfs/dbraw/zinc/02/09/85/819020985.db2.gz QSLXSJSNRUWTHU-MRXNPFEDSA-N 1 0 294.826 3.154 20 10 CGCDRO Cc1cc(CN(C)[C@H]2CCC[NH2+]C2)c(C)n1-c1ccccc1 ZINC001235342260 819072296 /nfs/dbraw/zinc/07/22/96/819072296.db2.gz JHULVXXLTXIINY-IBGZPJMESA-N 1 0 297.446 3.278 20 10 CGCDRO CCC[NH+]1CCN(Cc2ccc(C(C)(C)C)cc2O)CC1 ZINC001235683452 819142137 /nfs/dbraw/zinc/14/21/37/819142137.db2.gz GIJFSPMOWLSCSU-UHFFFAOYSA-N 1 0 290.451 3.217 20 10 CGCDRO Nc1ccc(C[N@@H+]2CC[C@@H](c3ccccc3F)C2)cc1 ZINC001235726025 819154607 /nfs/dbraw/zinc/15/46/07/819154607.db2.gz LVGXEKCSXFAVTQ-CQSZACIVSA-N 1 0 270.351 3.397 20 10 CGCDRO C[C@@H]1CC[C@@H]([NH3+])CN1Cc1cc(Cl)c(Cl)cc1O ZINC001235907540 819217924 /nfs/dbraw/zinc/21/79/24/819217924.db2.gz QLALXRCLWKFPIT-PSASIEDQSA-N 1 0 289.206 3.011 20 10 CGCDRO C[C@@H]1C[C@@H]([NH3+])CN(Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001236044551 819282256 /nfs/dbraw/zinc/28/22/56/819282256.db2.gz NSOAVWPIIRBMQO-GDBMZVCRSA-N 1 0 297.446 3.075 20 10 CGCDRO CCN(CC)c1ccc(CN(C)[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC001236210475 819371939 /nfs/dbraw/zinc/37/19/39/819371939.db2.gz COSCRFBILVXSII-QZTJIDSGSA-N 1 0 289.467 3.235 20 10 CGCDRO CCc1ccc(C[N@@H+]2CCC(=O)[C@H]3CCCC[C@H]32)c(O)c1 ZINC001236783980 819594658 /nfs/dbraw/zinc/59/46/58/819594658.db2.gz QPDCEPOTAAEGMR-JKSUJKDBSA-N 1 0 287.403 3.288 20 10 CGCDRO CC[C@@H]1CCC[N@@H+]1Cc1c(O)cc(OC)cc1Cl ZINC001236798946 819599502 /nfs/dbraw/zinc/59/95/02/819599502.db2.gz JZULLKVDODOKCL-SNVBAGLBSA-N 1 0 269.772 3.429 20 10 CGCDRO COc1cc(C)c(C[N@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)c(O)c1 ZINC001236808598 819604383 /nfs/dbraw/zinc/60/43/83/819604383.db2.gz QRDMEOOOYQPQPX-TXEJJXNPSA-N 1 0 297.345 3.186 20 10 CGCDRO COc1cc(C)c(C[N@@H+]2CC[C@H](c3cccnc3)C2)c(O)c1 ZINC001236814862 819605917 /nfs/dbraw/zinc/60/59/17/819605917.db2.gz XCJSKBXJHHZHGR-HNNXBMFYSA-N 1 0 298.386 3.094 20 10 CGCDRO Oc1cc2ccccc2cc1C[NH+]1CCC(N2CCC2)CC1 ZINC001236835070 819615121 /nfs/dbraw/zinc/61/51/21/819615121.db2.gz HFNZSEOPOJLXGJ-UHFFFAOYSA-N 1 0 296.414 3.216 20 10 CGCDRO CC[C@H]([NH3+])CN(C)Cc1cc(C)n(-c2ccccc2)c1C ZINC001236865381 819626794 /nfs/dbraw/zinc/62/67/94/819626794.db2.gz KGQVUAUVUSTZNR-KRWDZBQOSA-N 1 0 285.435 3.263 20 10 CGCDRO CCOc1ccc(CN2CC[C@](C)(F)[C@H](F)C2)c(O)c1 ZINC001237049838 819651792 /nfs/dbraw/zinc/65/17/92/819651792.db2.gz LWTOLOCQKLLNNO-CABCVRRESA-N 1 0 285.334 3.063 20 10 CGCDRO CC(C)c1ccc(C[N@H+]2CCOC[C@H]2C(C)C)c(O)c1 ZINC001237048393 819652215 /nfs/dbraw/zinc/65/22/15/819652215.db2.gz FBPQPTZPMWOWQX-INIZCTEOSA-N 1 0 277.408 3.372 20 10 CGCDRO CC(C)c1ccc(CN2Cc3ccncc3C2)c(O)c1 ZINC001237048994 819652887 /nfs/dbraw/zinc/65/28/87/819652887.db2.gz KNSJGHVIUAYGLP-UHFFFAOYSA-N 1 0 268.360 3.426 20 10 CGCDRO Oc1ccc(F)c(Cl)c1C[NH+]1CCC2(CCCO2)CC1 ZINC001237126986 819673933 /nfs/dbraw/zinc/67/39/33/819673933.db2.gz RNVYFWNYMXUBNQ-UHFFFAOYSA-N 1 0 299.773 3.330 20 10 CGCDRO Cc1cc(O)c(CN2CC[NH2+]C3=CCCC[C@@H]32)cc1Cl ZINC001237224041 819703461 /nfs/dbraw/zinc/70/34/61/819703461.db2.gz BGFKXMXPCGCXFA-HNNXBMFYSA-N 1 0 292.810 3.196 20 10 CGCDRO COc1cc2c(cc1OC)C[NH+](Cc1c(C)cccc1O)C2 ZINC001237494263 819764301 /nfs/dbraw/zinc/76/43/01/819764301.db2.gz GVBDTYJIVMGBIQ-UHFFFAOYSA-N 1 0 299.370 3.234 20 10 CGCDRO CC[N@H+](Cc1ccn2nccc2c1)Cc1ccccc1O ZINC001237543010 819775667 /nfs/dbraw/zinc/77/56/67/819775667.db2.gz QZONTGYXOAKAQF-UHFFFAOYSA-N 1 0 281.359 3.062 20 10 CGCDRO COc1cc(C[N@@H+]2CC[C@H]3CCC[C@@H]3C2)c(O)c(OC)c1 ZINC001237670228 819803409 /nfs/dbraw/zinc/80/34/09/819803409.db2.gz QYLZWFWGYDIISW-CHWSQXEVSA-N 1 0 291.391 3.031 20 10 CGCDRO COc1cc(C[NH+]2CC3(C2)CCCCC3)c(O)c(OC)c1 ZINC001237677785 819803443 /nfs/dbraw/zinc/80/34/43/819803443.db2.gz IEIVUJIDKITJPG-UHFFFAOYSA-N 1 0 291.391 3.176 20 10 CGCDRO COc1cc(C[N@H+](C)C2CCCCC2)c(O)c(OC)c1 ZINC001237675105 819803647 /nfs/dbraw/zinc/80/36/47/819803647.db2.gz UBMPYYKBJNZSBH-UHFFFAOYSA-N 1 0 279.380 3.174 20 10 CGCDRO Cc1cc(Cl)cc(C[N@H+](C)Cc2cnc(C)nc2)c1O ZINC001237689096 819808966 /nfs/dbraw/zinc/80/89/66/819808966.db2.gz MNQSQLUQSKCLRV-UHFFFAOYSA-N 1 0 291.782 3.084 20 10 CGCDRO Cc1cc(F)cc(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)c1O ZINC001238058307 819920622 /nfs/dbraw/zinc/92/06/22/819920622.db2.gz QDPLQXYRHUDETD-BETUJISGSA-N 1 0 263.356 3.462 20 10 CGCDRO COc1ccc2c(c1)CCC[N@@H+](Cc1ccc(N)cc1)C2 ZINC001345159519 936804967 /nfs/dbraw/zinc/80/49/67/936804967.db2.gz JOGLOFDHANFWFW-UHFFFAOYSA-N 1 0 282.387 3.226 20 10 CGCDRO C[C@H]1COCC[C@H]1C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001345413910 936811042 /nfs/dbraw/zinc/81/10/42/936811042.db2.gz WZVVBYGIOHYBBM-RDJZCZTQSA-N 1 0 288.435 3.049 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@H]2CCO[C@H](C(C)C)C2)c1O ZINC001350316663 936987560 /nfs/dbraw/zinc/98/75/60/936987560.db2.gz NBCZBDLTLPYPIQ-GJZGRUSLSA-N 1 0 293.407 3.002 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)S3)c1O ZINC001352775327 937048912 /nfs/dbraw/zinc/04/89/12/937048912.db2.gz JMVGMGLQWMZEJI-ODWCKFRGSA-N 1 0 293.432 3.478 20 10 CGCDRO CCC[N@H+](Cc1ccc(N)cc1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC001352786761 937049450 /nfs/dbraw/zinc/04/94/50/937049450.db2.gz AAOLZWDJENXEQD-ZACQAIPSSA-N 1 0 288.435 3.294 20 10 CGCDRO CCOc1ccc(N2CC[NH+](CCC3CCC3)CC2)cc1 ZINC001473295302 937176639 /nfs/dbraw/zinc/17/66/39/937176639.db2.gz FCMGHJAEGKWQQS-UHFFFAOYSA-N 1 0 288.435 3.398 20 10 CGCDRO Cc1ccc(C)c(C[N@H+]2CC[C@@H](C)[C@H](F)C2)c1O ZINC001140178526 931957123 /nfs/dbraw/zinc/95/71/23/931957123.db2.gz NMDMPQXSCXLBPN-BXUZGUMPSA-N 1 0 251.345 3.189 20 10 CGCDRO CCCn1cc(C[NH2+][C@H](C)c2ccccc2O)c(C)n1 ZINC001461731789 937594382 /nfs/dbraw/zinc/59/43/82/937594382.db2.gz QUVFSOWCLBQMRY-CYBMUJFWSA-N 1 0 273.380 3.158 20 10 CGCDRO COc1cc(C)c(C[N@H+]2C[C@@H](C)S[C@@H](C)C2)c(O)c1 ZINC001461902430 937605100 /nfs/dbraw/zinc/60/51/00/937605100.db2.gz SLQOJPTXCOEODR-TXEJJXNPSA-N 1 0 281.421 3.035 20 10 CGCDRO COc1cc(C)c(C[NH+]2C[C@H](C)S[C@@H](C)C2)c(O)c1 ZINC001461902423 937605233 /nfs/dbraw/zinc/60/52/33/937605233.db2.gz SLQOJPTXCOEODR-RYUDHWBXSA-N 1 0 281.421 3.035 20 10 CGCDRO CO[C@H]1C[C@@H]([N@H+](C)Cc2cc(C(C)C)ccc2O)C1 ZINC001462215641 937626099 /nfs/dbraw/zinc/62/60/99/937626099.db2.gz PUSKUKROLSXUMU-GASCZTMLSA-N 1 0 263.381 3.125 20 10 CGCDRO CC[N@@H+](Cc1c(C)cc(OC)cc1O)CC1CCC1 ZINC001462143863 937620854 /nfs/dbraw/zinc/62/08/54/937620854.db2.gz CVEBPCNIKJXFNK-UHFFFAOYSA-N 1 0 263.381 3.331 20 10 CGCDRO COc1ccc(C[NH2+]Cc2cccc3ccoc32)c(O)c1 ZINC001462150719 937621563 /nfs/dbraw/zinc/62/15/63/937621563.db2.gz XVONOJJTXIJPMB-UHFFFAOYSA-N 1 0 283.327 3.437 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCSC[C@@H]1C1CC1 ZINC001462259487 937628075 /nfs/dbraw/zinc/62/80/75/937628075.db2.gz NUGURCNHYPKKLF-QGZVFWFLSA-N 1 0 290.476 3.388 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCSC[C@H]1C1CC1 ZINC001462259483 937628194 /nfs/dbraw/zinc/62/81/94/937628194.db2.gz NUGURCNHYPKKLF-KRWDZBQOSA-N 1 0 290.476 3.388 20 10 CGCDRO CCN(C)c1ccc(C[NH2+][C@@H]2C[C@@](C)(OC)C2(C)C)cc1 ZINC001307777897 932998926 /nfs/dbraw/zinc/99/89/26/932998926.db2.gz FLRTWKLVQZWFPC-SJLPKXTDSA-N 1 0 290.451 3.436 20 10 CGCDRO CC(C)COCCC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001308186959 933068318 /nfs/dbraw/zinc/06/83/18/933068318.db2.gz OZAABVHBIDZNAQ-UHFFFAOYSA-N 1 0 277.408 3.164 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)COCC2CC2)cc1 ZINC001308455525 933113444 /nfs/dbraw/zinc/11/34/44/933113444.db2.gz MCRGCRMSZBJRCJ-OAHLLOKOSA-N 1 0 290.451 3.438 20 10 CGCDRO CC(C)c1ccc(O)c(C[N@@H+]2CCOC3(CCC3)C2)c1 ZINC001308599131 933140181 /nfs/dbraw/zinc/14/01/81/933140181.db2.gz KUMSLFRKIVOFPF-UHFFFAOYSA-N 1 0 275.392 3.271 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+][C@@H]2CCSC2)c1 ZINC001308736053 933167168 /nfs/dbraw/zinc/16/71/68/933167168.db2.gz NCSGQPBXZDBRJW-CYBMUJFWSA-N 1 0 251.395 3.111 20 10 CGCDRO CO[C@H]1CC[N@H+](Cc2cc(C(C)C)ccc2O)C[C@H]1C ZINC001308774964 933173346 /nfs/dbraw/zinc/17/33/46/933173346.db2.gz XAIGEMZHLZTJQD-DYVFJYSZSA-N 1 0 277.408 3.372 20 10 CGCDRO CN(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC001320072073 933993444 /nfs/dbraw/zinc/99/34/44/933993444.db2.gz QWBCIWJBKWCLON-KBPBESRZSA-N 1 0 282.815 3.008 20 10 CGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CCN1CC[C@H](C)C1 ZINC001320248547 934019616 /nfs/dbraw/zinc/01/96/16/934019616.db2.gz WIZJIFJNYIUCQM-CFVMTHIKSA-N 1 0 288.435 3.180 20 10 CGCDRO COCC1=CC[N@H+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001320407448 934045173 /nfs/dbraw/zinc/04/51/73/934045173.db2.gz GJSKLXRRBPHIOZ-UHFFFAOYSA-N 1 0 286.419 3.065 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC001325290108 934901480 /nfs/dbraw/zinc/90/14/80/934901480.db2.gz SQLKXNZFDRCSGJ-WMZOPIPTSA-N 1 0 288.435 3.062 20 10 CGCDRO Oc1cccc(Cl)c1C[NH2+][C@@H]1CCC[C@@H](F)C1 ZINC001326976794 935018718 /nfs/dbraw/zinc/01/87/18/935018718.db2.gz IJAQAQBSPISYIA-NXEZZACHSA-N 1 0 257.736 3.416 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCCC[N@@H+](C)C2CC2)cc1Cl ZINC001327823627 935087424 /nfs/dbraw/zinc/08/74/24/935087424.db2.gz IDFRPWXOAZUWBV-UHFFFAOYSA-N 1 0 296.842 3.318 20 10 CGCDRO COc1cc(C)cc(C[NH2+]Cc2ccc(Cl)cn2)c1O ZINC001331568772 935394471 /nfs/dbraw/zinc/39/44/71/935394471.db2.gz ZYEJINZRHDILID-UHFFFAOYSA-N 1 0 292.766 3.047 20 10 CGCDRO Cc1cc(O)c(C[NH+]2CC(CC(F)F)C2)cc1Cl ZINC001333908981 936074885 /nfs/dbraw/zinc/07/48/85/936074885.db2.gz SOAIDEUTXPZXJT-UHFFFAOYSA-N 1 0 275.726 3.441 20 10 CGCDRO Nc1ccc(C[NH+]2CCC([C@H]3CCCCO3)CC2)cc1 ZINC001334754677 936112259 /nfs/dbraw/zinc/11/22/59/936112259.db2.gz QZNSCEFNCFNAJU-QGZVFWFLSA-N 1 0 274.408 3.050 20 10 CGCDRO CCc1cccc(C[NH2+][C@H]2CCOC23CCCC3)c1O ZINC001335134356 936131250 /nfs/dbraw/zinc/13/12/50/936131250.db2.gz SDENNRGCAFIONU-HNNXBMFYSA-N 1 0 275.392 3.146 20 10 CGCDRO Cc1cc(CC[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3C)nn1C ZINC001335295408 936137384 /nfs/dbraw/zinc/13/73/84/936137384.db2.gz CTEGWAGUVFZWHS-IUODEOHRSA-N 1 0 299.418 3.123 20 10 CGCDRO C[C@H]([NH2+]Cc1cc2c(cc[nH]c2=O)o1)c1ccccc1O ZINC001474253274 937846926 /nfs/dbraw/zinc/84/69/26/937846926.db2.gz MWYKUQIBVMFZER-JTQLQIEISA-N 1 0 284.315 3.090 20 10 CGCDRO CCC[NH+]1CCC([N@H+](C)Cc2ccc(Cl)cc2[O-])CC1 ZINC001474363938 937854880 /nfs/dbraw/zinc/85/48/80/937854880.db2.gz USEKLWXNRSDJKZ-UHFFFAOYSA-N 1 0 296.842 3.352 20 10 CGCDRO C=C/C=C/CC[N@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC001559492454 938227499 /nfs/dbraw/zinc/22/74/99/938227499.db2.gz QDEHKPXMAPNBLA-SNAWJCMRSA-N 1 0 286.419 3.340 20 10 CGCDRO COCC1(CC[NH2+]Cc2c(C)c3ccccc3n2C)CC1 ZINC001560514011 938261295 /nfs/dbraw/zinc/26/12/95/938261295.db2.gz JHZLHWLGPHCBTN-UHFFFAOYSA-N 1 0 286.419 3.393 20 10 CGCDRO COC[C@H](C[NH2+]Cc1ccc2c(c1)CCCO2)C(C)C ZINC001560600808 938264920 /nfs/dbraw/zinc/26/49/20/938264920.db2.gz BMZYNOCYSQNUNC-INIZCTEOSA-N 1 0 277.408 3.020 20 10 CGCDRO CC(C)c1ccc(O)c(C[NH2+][C@@H]2CS[C@H](C)C2)c1 ZINC001560887755 938281935 /nfs/dbraw/zinc/28/19/35/938281935.db2.gz WWHJVWIYLNNYOQ-RISCZKNCSA-N 1 0 265.422 3.499 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CC(C)(C)CC[C@H]2O)cc1Cl ZINC001560961287 938286541 /nfs/dbraw/zinc/28/65/41/938286541.db2.gz DUQXOTRXIYNHGL-ZIAGYGMSSA-N 1 0 297.826 3.383 20 10 CGCDRO C[C@H](COc1ccc(F)cc1F)[NH2+]Cc1ccc(N)cc1 ZINC001576045171 962425363 /nfs/dbraw/zinc/42/53/63/962425363.db2.gz MDQVUXZANNOPNJ-LLVKDONJSA-N 1 0 292.329 3.104 20 10 CGCDRO Cc1cnc(CC[N@@H+](C)Cc2cc(C)c(C)cc2O)s1 ZINC000165217007 346184216 /nfs/dbraw/zinc/18/42/16/346184216.db2.gz DKWCMLKEHSMYPL-UHFFFAOYSA-N 1 0 290.432 3.448 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)Cc2cnn3ccccc23)cc1 ZINC000178864403 346252417 /nfs/dbraw/zinc/25/24/17/346252417.db2.gz XYGCWVRSYRWPGI-UHFFFAOYSA-N 1 0 294.402 3.032 20 10 CGCDRO CCCC[C@@H](COC)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297818104 282910828 /nfs/dbraw/zinc/91/08/28/282910828.db2.gz RFUFQKQKPYBMIN-UONOGXRCSA-N 1 0 263.381 3.174 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](CCO)C(C)C)cc1 ZINC000123552858 370912849 /nfs/dbraw/zinc/91/28/49/370912849.db2.gz SOJHGXUOEQLAJY-PBHICJAKSA-N 1 0 278.440 3.200 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H](C)[C@H](C)CC)c1O ZINC000042551998 369223720 /nfs/dbraw/zinc/22/37/20/369223720.db2.gz OZHCXUDXHUVSPY-NEPJUHHUSA-N 1 0 251.370 3.315 20 10 CGCDRO Cc1cc(C[C@H](C)[NH2+][C@@H](C)c2ccc(N(C)C)cc2)[nH]n1 ZINC000090531840 370062261 /nfs/dbraw/zinc/06/22/61/370062261.db2.gz WEYULYPSJRMYDL-JSGCOSHPSA-N 1 0 286.423 3.066 20 10 CGCDRO Cc1cnc([C@@H](C)[NH2+]Cc2cccc(C)c2O)s1 ZINC000135782681 371448577 /nfs/dbraw/zinc/44/85/77/371448577.db2.gz CZYZPVLJQCDOEF-LLVKDONJSA-N 1 0 262.378 3.316 20 10 CGCDRO CCc1noc(C)c1C[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000293769442 372475419 /nfs/dbraw/zinc/47/54/19/372475419.db2.gz SBEVNJJKKCEXII-NSHDSACASA-N 1 0 274.364 3.410 20 10 CGCDRO COCCCCC[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000293692853 372452603 /nfs/dbraw/zinc/45/26/03/372452603.db2.gz LASCTUZLZIUMOM-AWEZNQCLSA-N 1 0 265.397 3.476 20 10 CGCDRO Cc1c([C@H](C)[NH2+]Cc2cc(Cl)c(F)cc2[O-])cnn1C ZINC000294135918 372591493 /nfs/dbraw/zinc/59/14/93/372591493.db2.gz HEZGIHRFKHIMFH-QMMMGPOBSA-N 1 0 297.761 3.077 20 10 CGCDRO CO[C@](C)(C[NH2+][C@@H](C)c1c(C)cc(C)cc1O)C1CC1 ZINC000294314222 372647322 /nfs/dbraw/zinc/64/73/22/372647322.db2.gz OACCKVXFZKDWKR-SUMWQHHRSA-N 1 0 277.408 3.475 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)c1cnn(CC)c1)c1ccccc1O ZINC000294952803 372681817 /nfs/dbraw/zinc/68/18/17/372681817.db2.gz WAHYNSSYZIUTQQ-WFASDCNBSA-N 1 0 273.380 3.411 20 10 CGCDRO C[N@H+](Cc1ccccc1O)[C@H](CO)c1ccc(Cl)cc1 ZINC000295075896 372690050 /nfs/dbraw/zinc/69/00/50/372690050.db2.gz PSAYSBTUXMIFRS-OAHLLOKOSA-N 1 0 291.778 3.211 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCC(C)(F)F)c1 ZINC000295996284 372988115 /nfs/dbraw/zinc/98/81/15/372988115.db2.gz KQZHWZIJHXELSL-JTQLQIEISA-N 1 0 273.323 3.487 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](C)CC(C)(C)O)cc1 ZINC000296265215 373072032 /nfs/dbraw/zinc/07/20/32/373072032.db2.gz DKIMOEDZPZPRTQ-UONOGXRCSA-N 1 0 278.440 3.343 20 10 CGCDRO C[C@H](CCCCO)[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000296579486 373184174 /nfs/dbraw/zinc/18/41/74/373184174.db2.gz UFNMZMPMPQWABI-GHMZBOCLSA-N 1 0 271.788 3.247 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]CCCCNc1ccccn1)CC2 ZINC000297651569 373275980 /nfs/dbraw/zinc/27/59/80/373275980.db2.gz KDQUSLUQAKWLNH-OAHLLOKOSA-N 1 0 297.402 3.256 20 10 CGCDRO CCCC[C@@H](COC)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297818101 373280778 /nfs/dbraw/zinc/28/07/78/373280778.db2.gz RFUFQKQKPYBMIN-KBPBESRZSA-N 1 0 263.381 3.174 20 10 CGCDRO CC(C)COC1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000179952723 373943726 /nfs/dbraw/zinc/94/37/26/373943726.db2.gz OTJDFNBNBBKAJI-UHFFFAOYSA-N 1 0 281.371 3.168 20 10 CGCDRO COCC1CC[NH+](Cc2cc(Cl)cc(C)c2O)CC1 ZINC000180064260 373962168 /nfs/dbraw/zinc/96/21/68/373962168.db2.gz IBNPUQKZDBXCCX-UHFFFAOYSA-N 1 0 283.799 3.212 20 10 CGCDRO CC[C@](C)([NH2+]Cc1cc(F)ccc1O)c1nccs1 ZINC000180772408 374044268 /nfs/dbraw/zinc/04/42/68/374044268.db2.gz XXFJOJFNLDIXTG-AWEZNQCLSA-N 1 0 280.368 3.403 20 10 CGCDRO COc1cccc(C[N@@H+]2CCc3cc(F)ccc3C2)c1O ZINC000181447050 374125133 /nfs/dbraw/zinc/12/51/33/374125133.db2.gz WZYJJILEOJAUEJ-UHFFFAOYSA-N 1 0 287.334 3.098 20 10 CGCDRO CC[C@](C)([NH2+]Cc1cc(OC)ccc1O)c1nccs1 ZINC000182371710 374266365 /nfs/dbraw/zinc/26/63/65/374266365.db2.gz MQHNDAHPEZEWCU-HNNXBMFYSA-N 1 0 292.404 3.272 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(CO)c2)c1 ZINC000185372982 374650783 /nfs/dbraw/zinc/65/07/83/374650783.db2.gz WLGBPJDBAWVLGT-CYBMUJFWSA-N 1 0 271.360 3.044 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](CO)c2ccccc2)c(O)c1 ZINC000185652595 374705784 /nfs/dbraw/zinc/70/57/84/374705784.db2.gz GGTMKWCDXGMLQX-ZBFHGGJFSA-N 1 0 285.387 3.127 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCCO[C@H]2CC(C)C)c1 ZINC000187680321 375070912 /nfs/dbraw/zinc/07/09/12/375070912.db2.gz ADEPVLBDJKHMHQ-WBVHZDCISA-N 1 0 293.407 3.084 20 10 CGCDRO CC[N@@H+]1CC[C@H]([NH2+]Cc2c(C)c3ccccc3n2C)[C@H](C)C1 ZINC000475200317 375132248 /nfs/dbraw/zinc/13/22/48/375132248.db2.gz ZXUNAAGWJWRSBP-PBHICJAKSA-N 1 0 299.462 3.307 20 10 CGCDRO CO[C@H](C)[C@H](C)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000189126206 375330992 /nfs/dbraw/zinc/33/09/92/375330992.db2.gz ZGPDLDVUQLOZKL-LSDHHAIUSA-N 1 0 276.424 3.190 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CC[C@](C)(O)c2ccccc2)cc1C ZINC000189843018 375452844 /nfs/dbraw/zinc/45/28/44/375452844.db2.gz HFIGDXPAAACQFJ-IBGZPJMESA-N 1 0 299.414 3.396 20 10 CGCDRO CN(Cc1cccc2c1CC[NH2+]C2)c1ccccc1F ZINC000123957476 542029792 /nfs/dbraw/zinc/02/97/92/542029792.db2.gz APWJYIDABFLSKE-UHFFFAOYSA-N 1 0 270.351 3.108 20 10 CGCDRO C[C@@H]([NH2+]CCCn1ccnc1)c1ccc2ccccc2c1O ZINC000193111842 375827393 /nfs/dbraw/zinc/82/73/93/375827393.db2.gz JZLNVOPVRDONSI-CQSZACIVSA-N 1 0 295.386 3.483 20 10 CGCDRO CCOc1ccc(O)c(C[NH+]2CC(Cc3ccco3)C2)c1 ZINC000529648435 375932024 /nfs/dbraw/zinc/93/20/24/375932024.db2.gz DGEOBTBMBIFOHD-UHFFFAOYSA-N 1 0 287.359 3.058 20 10 CGCDRO COc1cccc(CC[NH2+]Cc2cccc(C)c2O)c1 ZINC000224547105 376284546 /nfs/dbraw/zinc/28/45/46/376284546.db2.gz FNARLCKPXSPJHX-UHFFFAOYSA-N 1 0 271.360 3.042 20 10 CGCDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)c1O ZINC000245637863 376872462 /nfs/dbraw/zinc/87/24/62/376872462.db2.gz CNTHNFPJOGWXFA-SWLSCSKDSA-N 1 0 295.810 3.355 20 10 CGCDRO CCOCc1cc(C[NH2+][C@@H]2CCCSC2)ccc1OC ZINC000267237071 378034441 /nfs/dbraw/zinc/03/44/41/378034441.db2.gz WXHZRVYOQJVVJE-OAHLLOKOSA-N 1 0 295.448 3.217 20 10 CGCDRO C[C@@H](CCCO)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000268061258 378049332 /nfs/dbraw/zinc/04/93/32/378049332.db2.gz YQZDTMHQZUEMMT-AWEZNQCLSA-N 1 0 285.387 3.310 20 10 CGCDRO C[C@H](C[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1)N(C)C ZINC000268827983 378124618 /nfs/dbraw/zinc/12/46/18/378124618.db2.gz BNWZSABYFYGLGY-HZPDHXFCSA-N 1 0 289.467 3.278 20 10 CGCDRO C[C@H]([NH2+][C@@H]1c2ccccc2C[C@H]1O)c1ccc(N(C)C)cc1 ZINC000268902291 378147137 /nfs/dbraw/zinc/14/71/37/378147137.db2.gz BMCHVTFAQBPGQF-MJXNMMHHSA-N 1 0 296.414 3.062 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCOC3(CCC3)C2)cc1C ZINC000268958763 378162130 /nfs/dbraw/zinc/16/21/30/378162130.db2.gz HMLOARXYPCRBNO-OAHLLOKOSA-N 1 0 275.392 3.200 20 10 CGCDRO Cc1n[nH]cc1C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000271062556 378445519 /nfs/dbraw/zinc/44/55/19/378445519.db2.gz HMEZKVDJCUDPDG-UHFFFAOYSA-N 1 0 286.423 3.195 20 10 CGCDRO CCC[N@H+](Cc1ccccc1O)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000271361006 378488803 /nfs/dbraw/zinc/48/88/03/378488803.db2.gz NFYXPLLMCGDSOJ-UAGQMJEPSA-N 1 0 289.419 3.418 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCO[C@@H](C(C)C)C2)c1 ZINC000271574055 378497151 /nfs/dbraw/zinc/49/71/51/378497151.db2.gz UNMUGYJJRLFJRG-WMLDXEAASA-N 1 0 293.407 3.084 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H]2CCc3c2cccc3O)c1O ZINC000271877937 378509836 /nfs/dbraw/zinc/50/98/36/378509836.db2.gz OOMWAMSCVYLYDT-OAHLLOKOSA-N 1 0 269.344 3.183 20 10 CGCDRO COc1ccc(C[NH2+][C@]2(C)CCO[C@@H]2C2CC2)cc1C ZINC000273171922 378737853 /nfs/dbraw/zinc/73/78/53/378737853.db2.gz WBQNTOWBSIQXNW-IAGOWNOFSA-N 1 0 275.392 3.051 20 10 CGCDRO CCn1cc(C[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)cn1 ZINC000273345863 378742693 /nfs/dbraw/zinc/74/26/93/378742693.db2.gz ASJLWRYBSASOCT-ZDUSSCGKSA-N 1 0 299.418 3.338 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)CCc2ccccc2)c1 ZINC000273392502 378743843 /nfs/dbraw/zinc/74/38/43/378743843.db2.gz DTFWPPSMUQQUOZ-NVXWUHKLSA-N 1 0 299.414 3.345 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)COCC(F)(F)F)c1 ZINC000273466238 378747734 /nfs/dbraw/zinc/74/77/34/378747734.db2.gz DWGWHYAKMWWWGS-WDEREUQCSA-N 1 0 291.313 3.319 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCCCCCO)c(O)c1C ZINC000273479955 378750859 /nfs/dbraw/zinc/75/08/59/378750859.db2.gz LTUIJTADZRQUPL-CQSZACIVSA-N 1 0 265.397 3.212 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccn(C)c1)c1cc(Cl)ccc1O ZINC000273615803 378756346 /nfs/dbraw/zinc/75/63/46/378756346.db2.gz XIKZXGRNPNUUSH-SNVBAGLBSA-N 1 0 264.756 3.235 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1CCCCN1C1CC1)c1ccccc1O ZINC000278457227 379395122 /nfs/dbraw/zinc/39/51/22/379395122.db2.gz MFEBLSIAQODWTA-HIFRSBDPSA-N 1 0 274.408 3.060 20 10 CGCDRO CCSCCC[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000282415569 379914923 /nfs/dbraw/zinc/91/49/23/379914923.db2.gz CMUNUYRNNMKXMH-LBPRGKRZSA-N 1 0 253.411 3.494 20 10 CGCDRO CC[C@@H]([NH2+][C@H]1CCCc2nn(C)cc21)c1ccccc1O ZINC000282441062 379919979 /nfs/dbraw/zinc/91/99/79/379919979.db2.gz NBLHDWIIKUDGDS-CABCVRRESA-N 1 0 285.391 3.244 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCO[C@@H](C)C2)c(O)c1 ZINC000285243304 380144600 /nfs/dbraw/zinc/14/46/00/380144600.db2.gz PSUCCYXJWRDLKK-MELADBBJSA-N 1 0 263.381 3.227 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCCC[C@@H]2c2cc[nH]n2)cc1C ZINC000285242770 380145886 /nfs/dbraw/zinc/14/58/86/380145886.db2.gz ZQIMVSWPUFZOPM-MRXNPFEDSA-N 1 0 285.391 3.459 20 10 CGCDRO CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(F)cc1[O-] ZINC000285572348 380150270 /nfs/dbraw/zinc/15/02/70/380150270.db2.gz IBGAKMCRZXUSFV-BLLLJJGKSA-N 1 0 292.398 3.056 20 10 CGCDRO CCCn1cc(C[NH2+]Cc2c(C)c3ccccc3n2C)cn1 ZINC000355127907 380588855 /nfs/dbraw/zinc/58/88/55/380588855.db2.gz TXVPXBXRSTVJEO-UHFFFAOYSA-N 1 0 296.418 3.383 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]C[C@@H]1COc3ccccc31)CC2 ZINC000297319124 285397610 /nfs/dbraw/zinc/39/76/10/285397610.db2.gz NFJKYUHFYCSUMF-UKRRQHHQSA-N 1 0 281.355 3.145 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCO[C@H](c3ccsc3)C2)c1 ZINC000093768562 392239318 /nfs/dbraw/zinc/23/93/18/392239318.db2.gz MJCDMHCWNNPUDU-INIZCTEOSA-N 1 0 289.400 3.336 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCCSC1)c1ccccc1O ZINC000121643897 392414885 /nfs/dbraw/zinc/41/48/85/392414885.db2.gz MKVZXSCSMCUMFV-YPMHNXCESA-N 1 0 251.395 3.329 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCC3(C2)Oc2ccccc2O3)c1 ZINC000290122117 392441049 /nfs/dbraw/zinc/44/10/49/392441049.db2.gz IXAHEIUFPMFNMC-UHFFFAOYSA-N 1 0 297.354 3.074 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1CSCCS1)c1ccc(N(C)C)cc1 ZINC000132535563 392460548 /nfs/dbraw/zinc/46/05/48/392460548.db2.gz DOVZUPMFMYPYFG-IUODEOHRSA-N 1 0 296.505 3.252 20 10 CGCDRO CC[C@H]([NH2+]C[C@H](C)COC)c1ccc(N(C)C)cc1 ZINC000178670821 392683945 /nfs/dbraw/zinc/68/39/45/392683945.db2.gz KCILLWLPOJOCTD-BBRMVZONSA-N 1 0 264.413 3.076 20 10 CGCDRO Cc1csc(C(C)(C)[NH2+]Cc2cc(F)ccc2O)n1 ZINC000180730243 392714065 /nfs/dbraw/zinc/71/40/65/392714065.db2.gz MMOOSQGUXGYVID-UHFFFAOYSA-N 1 0 280.368 3.321 20 10 CGCDRO C[NH2+]CCc1ccccc1C(=O)N(C)c1cccc(C)c1 ZINC000228503037 393019001 /nfs/dbraw/zinc/01/90/01/393019001.db2.gz JWYMCQAWFDWRPJ-UHFFFAOYSA-N 1 0 282.387 3.034 20 10 CGCDRO COC(C)(C)C[C@H](C)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297890342 292076208 /nfs/dbraw/zinc/07/62/08/292076208.db2.gz VMSAJLOAVKFFQK-WCQYABFASA-N 1 0 263.381 3.173 20 10 CGCDRO CC[C@@H]([NH2+]CCCC[NH+](C)C)c1cccc(Cl)c1[O-] ZINC000287801017 286905182 /nfs/dbraw/zinc/90/51/82/286905182.db2.gz UCXDMNZLGJYSHY-CQSZACIVSA-N 1 0 284.831 3.428 20 10 CGCDRO C[C@@H]([NH2+]Cc1cc(Cl)ccc1O)c1ccccn1 ZINC000020123507 171004974 /nfs/dbraw/zinc/00/49/74/171004974.db2.gz YVZBXGAAYCGBRF-SNVBAGLBSA-N 1 0 262.740 3.291 20 10 CGCDRO CC[C@H]([NH2+]CCCOCC(C)C)c1ccccc1O ZINC000020147293 171033889 /nfs/dbraw/zinc/03/38/89/171033889.db2.gz PBFBNGDPNZYXSA-HNNXBMFYSA-N 1 0 265.397 3.496 20 10 CGCDRO Oc1ccccc1C[NH2+]CCCOC1CCCCC1 ZINC000020191416 171057815 /nfs/dbraw/zinc/05/78/15/171057815.db2.gz FZMJHQVOSVNHNR-UHFFFAOYSA-N 1 0 263.381 3.221 20 10 CGCDRO CC(C)[C@@H](CO)[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000092391923 260270357 /nfs/dbraw/zinc/27/03/57/260270357.db2.gz YAQLFLQZTOTBQF-MLGOLLRUSA-N 1 0 273.376 3.213 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2c2ncc[nH]2)c1 ZINC000092729735 260499507 /nfs/dbraw/zinc/49/95/07/260499507.db2.gz IMKOBUZDQSSLDJ-CQSZACIVSA-N 1 0 271.364 3.151 20 10 CGCDRO CCn1cc([C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)cn1 ZINC000155408628 261101584 /nfs/dbraw/zinc/10/15/84/261101584.db2.gz JIHCJAKDVVCMID-ZDUSSCGKSA-N 1 0 273.380 3.071 20 10 CGCDRO CC[C@H]([NH2+]CCC(=O)Nc1ccccc1)c1ccccc1O ZINC000155818720 261108330 /nfs/dbraw/zinc/10/83/30/261108330.db2.gz BZCVLKTWWWPJER-INIZCTEOSA-N 1 0 298.386 3.462 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)c1ccccc1O ZINC000300419746 261200161 /nfs/dbraw/zinc/20/01/61/261200161.db2.gz NFXPBMABKCAQBJ-LZWOXQAQSA-N 1 0 261.365 3.000 20 10 CGCDRO C[C@H]([NH2+][C@@H]1C[C@H](C)N(C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000166261120 261386307 /nfs/dbraw/zinc/38/63/07/261386307.db2.gz IFFFBUJLOBKFRR-OFQRWUPVSA-N 1 0 287.451 3.028 20 10 CGCDRO COc1cc(Cl)cc(C[NH+]2CCCCC2)c1O ZINC000184703854 262026836 /nfs/dbraw/zinc/02/68/36/262026836.db2.gz UNQXOGZUAIKCMM-UHFFFAOYSA-N 1 0 255.745 3.040 20 10 CGCDRO OC[C@@H](C1CC1)[N@H+](Cc1ccccc1)Cc1ccccc1O ZINC000184788488 262029906 /nfs/dbraw/zinc/02/99/06/262029906.db2.gz FJODMKVDYCEKBS-SFHVURJKSA-N 1 0 297.398 3.165 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2c3ccccc3C[C@@H]2O)c1 ZINC000185122206 262042956 /nfs/dbraw/zinc/04/29/56/262042956.db2.gz INYOIWVPNVTLCK-UYHISHBKSA-N 1 0 283.371 3.010 20 10 CGCDRO C[C@H]([NH2+]CCCc1cnn(C)c1)c1cc(Cl)ccc1O ZINC000185312985 262049788 /nfs/dbraw/zinc/04/97/88/262049788.db2.gz PQRFYKCRFKCWTM-NSHDSACASA-N 1 0 293.798 3.063 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CCCC[C@@H]1O)c1cc2c(cc1O)CCCC2 ZINC000185445117 262054520 /nfs/dbraw/zinc/05/45/20/262054520.db2.gz MYPKNVGCORWESO-DQYPLSBCSA-N 1 0 289.419 3.225 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCCC[C@@H]1O)c1cc2c(cc1O)CCCC2 ZINC000185445095 262054552 /nfs/dbraw/zinc/05/45/52/262054552.db2.gz MYPKNVGCORWESO-ZLIFDBKOSA-N 1 0 289.419 3.225 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2[C@@H]3CCO[C@@H]3C2(C)C)c(O)c1 ZINC000185534869 262058914 /nfs/dbraw/zinc/05/89/14/262058914.db2.gz RQFOJULHAJJZBZ-XTBFLFJDSA-N 1 0 275.392 3.165 20 10 CGCDRO C[C@@H](O)C[C@H](C)C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000185521605 262058970 /nfs/dbraw/zinc/05/89/70/262058970.db2.gz MKIITKRAJXRFPI-MJBXVCDLSA-N 1 0 291.435 3.329 20 10 CGCDRO CO[C@H](C[NH2+][C@H](C)c1cc(F)ccc1O)C(C)(C)C ZINC000185618068 262062868 /nfs/dbraw/zinc/06/28/68/262062868.db2.gz PCZLSCFWZFFQTR-QMTHXVAHSA-N 1 0 269.360 3.243 20 10 CGCDRO C[C@H]([NH2+]CCCCCCO)c1cc2c(cc1O)CCCC2 ZINC000186231407 262085482 /nfs/dbraw/zinc/08/54/82/262085482.db2.gz ASMRWRAGDJRNNV-AWEZNQCLSA-N 1 0 291.435 3.474 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC2(OC)CCCCC2)c1 ZINC000186513975 262096496 /nfs/dbraw/zinc/09/64/96/262096496.db2.gz GJHUYTWYVOETOK-ZDUSSCGKSA-N 1 0 293.407 3.401 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCOC(C)C)cc1 ZINC000186641983 262103262 /nfs/dbraw/zinc/10/32/62/262103262.db2.gz ZGJDXOCZWLUXOO-AWEZNQCLSA-N 1 0 264.413 3.218 20 10 CGCDRO COc1cccc(C[NH2+]CCc2cc(F)cc(F)c2)c1O ZINC000060717591 262391501 /nfs/dbraw/zinc/39/15/01/262391501.db2.gz RUTIJQFMAQBKRC-UHFFFAOYSA-N 1 0 293.313 3.011 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)cc1F ZINC000284957752 263088680 /nfs/dbraw/zinc/08/86/80/263088680.db2.gz HUEILDGFIGWQGJ-DLBZAZTESA-N 1 0 292.398 3.035 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)[C@H]2CCOC2)cc1 ZINC000135209229 276120829 /nfs/dbraw/zinc/12/08/29/276120829.db2.gz ZXVVVPAMLGTYNJ-HOCLYGCPSA-N 1 0 276.424 3.047 20 10 CGCDRO CO[C@@H](C)CC[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000293759522 277620873 /nfs/dbraw/zinc/62/08/73/277620873.db2.gz OUAVXDHSZJKBOC-QWHCGFSZSA-N 1 0 251.370 3.085 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H]1CCCCO1)c1ccc(C)cc1O ZINC000280262220 288045056 /nfs/dbraw/zinc/04/50/56/288045056.db2.gz XHSALRLAAFKGRB-ZFWWWQNUSA-N 1 0 263.381 3.310 20 10 CGCDRO C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CCc3cccc(O)c32)CCO1 ZINC000296609623 278889350 /nfs/dbraw/zinc/88/93/50/278889350.db2.gz YIZHPOVCXSMZSI-VNHYZAJKSA-N 1 0 275.392 3.174 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]CCSC(F)(F)F)c1 ZINC000171128266 327751943 /nfs/dbraw/zinc/75/19/43/327751943.db2.gz IUMFIRZFTJITIR-UHFFFAOYSA-N 1 0 295.326 3.134 20 10 CGCDRO C[C@H]([NH2+]C[C@@H](O)c1ccccc1)c1cc(Cl)ccc1O ZINC000184854999 327834189 /nfs/dbraw/zinc/83/41/89/327834189.db2.gz OPOGNFCHJOVNBU-MEDUHNTESA-N 1 0 291.778 3.430 20 10 CGCDRO CC(C)[C@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)C(C)(C)O ZINC000276883131 328219690 /nfs/dbraw/zinc/21/96/90/328219690.db2.gz LEYXRENVGYGQQW-CJNGLKHVSA-N 1 0 278.440 3.199 20 10 CGCDRO C[N@H+](Cc1cc(-c2ccccc2)ccc1O)[C@@H]1CCC[C@H]1O ZINC000289518027 328254817 /nfs/dbraw/zinc/25/48/17/328254817.db2.gz GYSQJXVBHARVHV-IEBWSBKVSA-N 1 0 297.398 3.404 20 10 CGCDRO CC(C)C[C@H](CCO)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000154625923 327587132 /nfs/dbraw/zinc/58/71/32/327587132.db2.gz UFLHHZJXUIBSBJ-CVEARBPZSA-N 1 0 292.467 3.448 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccccc1O)c1nccn1-c1ccccc1 ZINC000377410365 329014723 /nfs/dbraw/zinc/01/47/23/329014723.db2.gz XDWSNHVZRROHGN-CQSZACIVSA-N 1 0 293.370 3.429 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CSCCS2)c1 ZINC000168817753 329059586 /nfs/dbraw/zinc/05/95/86/329059586.db2.gz ZPFWKYXLEXFHRO-NWDGAFQWSA-N 1 0 283.462 3.200 20 10 CGCDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000186452232 329342780 /nfs/dbraw/zinc/34/27/80/329342780.db2.gz UEUJDPPXHJYEMF-SFHVURJKSA-N 1 0 299.345 3.163 20 10 CGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCOc3c(C)cccc32)c1 ZINC000188011561 329363490 /nfs/dbraw/zinc/36/34/90/329363490.db2.gz VJCGHWORDDNYDJ-MRXNPFEDSA-N 1 0 299.370 3.323 20 10 CGCDRO CCC([NH2+]Cc1cc2c(cc1O)OCO2)(C1CC1)C1CC1 ZINC000527766340 330281723 /nfs/dbraw/zinc/28/17/23/330281723.db2.gz ZSAQPEDIDYVZHL-UHFFFAOYSA-N 1 0 289.375 3.179 20 10 CGCDRO CC[C@@H]([NH2+]CC[C@@H]1CCCOC1)c1ccccc1O ZINC000527922706 330295944 /nfs/dbraw/zinc/29/59/44/330295944.db2.gz ANKIKFKWNXLJAZ-DZGCQCFKSA-N 1 0 263.381 3.250 20 10 CGCDRO C[C@H]([NH2+]C[C@@]1(C)COc2ccccc2O1)c1ccccc1O ZINC000527931079 330297407 /nfs/dbraw/zinc/29/74/07/330297407.db2.gz JMBXDJHACWJAHV-UGSOOPFHSA-N 1 0 299.370 3.273 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2C[C@]2(C)OC(C)C)c1 ZINC000528008960 330303840 /nfs/dbraw/zinc/30/38/40/330303840.db2.gz UNIBXHBJWGQAHF-LYRGGWFBSA-N 1 0 279.380 3.007 20 10 CGCDRO c1cc(CC[NH2+]Cc2ccc(N3CCCCC3)cc2)ccn1 ZINC000268657574 334714428 /nfs/dbraw/zinc/71/44/28/334714428.db2.gz LIUYGNRRQUOGAO-UHFFFAOYSA-N 1 0 295.430 3.404 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)CCCCO)cc1 ZINC000272337366 334751920 /nfs/dbraw/zinc/75/19/20/334751920.db2.gz XSTGRYLSJSNGPK-OAHLLOKOSA-N 1 0 278.440 3.174 20 10 CGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H](C)c1cncnc1C ZINC000568236646 334807098 /nfs/dbraw/zinc/80/70/98/334807098.db2.gz QXSKMUIBLUTJGA-ZDUSSCGKSA-N 1 0 294.402 3.436 20 10 CGCDRO CC(C)(C)CC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000069674957 518652905 /nfs/dbraw/zinc/65/29/05/518652905.db2.gz NBCACXDDLMJRKJ-UHFFFAOYSA-N 1 0 276.424 3.049 20 10 CGCDRO CCCC(O)(CCC)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297547106 519886877 /nfs/dbraw/zinc/88/68/77/519886877.db2.gz FLFHEPXBSQZETK-AWEZNQCLSA-N 1 0 277.408 3.300 20 10 CGCDRO CC1(C)OCc2cc(C[NH2+]Cc3ccccc3O)ccc2O1 ZINC000274701834 520612807 /nfs/dbraw/zinc/61/28/07/520612807.db2.gz YFQIBDDHVDOCPL-UHFFFAOYSA-N 1 0 299.370 3.327 20 10 CGCDRO CCC[C@@]1(CO)CC[N@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000290162954 520966398 /nfs/dbraw/zinc/96/63/98/520966398.db2.gz MBTQACWEAABTNZ-MRXNPFEDSA-N 1 0 297.826 3.339 20 10 CGCDRO CCOc1ccc(C[NH2+]Cc2ccc(N(C)C)cc2)cc1 ZINC000020146001 521004744 /nfs/dbraw/zinc/00/47/44/521004744.db2.gz SDGYKUHBHBGTMY-UHFFFAOYSA-N 1 0 284.403 3.441 20 10 CGCDRO CCOC(CC[NH2+][C@@H](CC)c1ccccc1O)OCC ZINC000276614398 521629522 /nfs/dbraw/zinc/62/95/22/521629522.db2.gz ZTTHWVXPSZXDFM-AWEZNQCLSA-N 1 0 281.396 3.222 20 10 CGCDRO CCOC1CC(CC[NH2+]Cc2ccc(N(C)C)c(F)c2)C1 ZINC000276747719 521645173 /nfs/dbraw/zinc/64/51/73/521645173.db2.gz SQBJVLFHQWOBPA-UHFFFAOYSA-N 1 0 294.414 3.187 20 10 CGCDRO CC[C@H](C)c1nnc([C@H](C)[NH2+][C@H](C)c2ccccc2O)[nH]1 ZINC000277110061 522055587 /nfs/dbraw/zinc/05/55/87/522055587.db2.gz HVQIUUGSNREDMH-TUAOUCFPSA-N 1 0 288.395 3.436 20 10 CGCDRO CC[C@H](CCO)C[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC000094936323 522143225 /nfs/dbraw/zinc/14/32/25/522143225.db2.gz KHFFIFNMVQMZAC-OAHLLOKOSA-N 1 0 278.440 3.031 20 10 CGCDRO CC[C@H]([NH2+]CCCCOC)c1ccc(C)cc1O ZINC000280044379 522580813 /nfs/dbraw/zinc/58/08/13/522580813.db2.gz JEZCACCLUONUMG-AWEZNQCLSA-N 1 0 251.370 3.168 20 10 CGCDRO CC[C@H]([NH2+][C@@H](CO)c1ccccc1)c1ccc(C)cc1O ZINC000280138098 522705282 /nfs/dbraw/zinc/70/52/82/522705282.db2.gz PLDZTMDBMSNORF-IRXDYDNUSA-N 1 0 285.387 3.475 20 10 CGCDRO CC[C@H]([NH2+][C@H](C)CSC)c1ccc(C)cc1O ZINC000280175776 522732667 /nfs/dbraw/zinc/73/26/67/522732667.db2.gz RJILOAIQTCDEEY-YPMHNXCESA-N 1 0 253.411 3.493 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCCOCC1)c1ccc(C)cc1O ZINC000280239257 522751486 /nfs/dbraw/zinc/75/14/86/522751486.db2.gz VXUOQPJYQUBASV-ZFWWWQNUSA-N 1 0 263.381 3.310 20 10 CGCDRO COCCCC[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000273397739 523176852 /nfs/dbraw/zinc/17/68/52/523176852.db2.gz MIXYXXMERAEXEJ-CYBMUJFWSA-N 1 0 251.370 3.086 20 10 CGCDRO COc1ccc(F)cc1[C@@H](C)[NH2+]Cc1ccccc1O ZINC000037089798 524327252 /nfs/dbraw/zinc/32/72/52/524327252.db2.gz XWFZCJFYLYYISG-LLVKDONJSA-N 1 0 275.323 3.391 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](C3CC3)C2)c1 ZINC000290124025 524736727 /nfs/dbraw/zinc/73/67/27/524736727.db2.gz JBGPORIATDRXMO-CYBMUJFWSA-N 1 0 261.365 3.023 20 10 CGCDRO C[C@H](Cn1ccnc1)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000273430364 524791317 /nfs/dbraw/zinc/79/13/17/524791317.db2.gz VKQYDPHRPCTPKQ-KGLIPLIRSA-N 1 0 299.418 3.207 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CC[C@H](O)c2ccccc2)cc1C ZINC000289395939 525323442 /nfs/dbraw/zinc/32/34/42/525323442.db2.gz FRGMSMXXFHZDOZ-KRWDZBQOSA-N 1 0 285.387 3.222 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@H](CCO)C(C)(C)C)c(O)c1C ZINC000273755444 525746961 /nfs/dbraw/zinc/74/69/61/525746961.db2.gz PGFBLWMXTPZSKE-UKRRQHHQSA-N 1 0 279.424 3.457 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)CN2CCCCC2)c(O)c1 ZINC000037153219 525934789 /nfs/dbraw/zinc/93/47/89/525934789.db2.gz MNDHETCWOOVLDF-GJZGRUSLSA-N 1 0 276.424 3.226 20 10 CGCDRO COc1cccc(C[NH2+]CCSc2ccccc2)c1O ZINC000037904043 526016664 /nfs/dbraw/zinc/01/66/64/526016664.db2.gz PCSQPWXRGLEWMC-UHFFFAOYSA-N 1 0 289.400 3.283 20 10 CGCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+][C@H]1CCCOC1 ZINC000264385597 526338393 /nfs/dbraw/zinc/33/83/93/526338393.db2.gz MLKUCDIUHCMGQZ-KRWDZBQOSA-N 1 0 283.371 3.328 20 10 CGCDRO Oc1ccc2ccccc2c1C[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000291054989 526356304 /nfs/dbraw/zinc/35/63/04/526356304.db2.gz HKEWIAGDGWDZAP-OAHLLOKOSA-N 1 0 293.370 3.189 20 10 CGCDRO Cc1noc(C)c1C(C)(C)[NH2+]Cc1cc(F)ccc1O ZINC000289923827 526476304 /nfs/dbraw/zinc/47/63/04/526476304.db2.gz VXSCNYJNKUHGFN-UHFFFAOYSA-N 1 0 278.327 3.161 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCOC[C@H]2C)cc1 ZINC000191749698 528309227 /nfs/dbraw/zinc/30/92/27/528309227.db2.gz QUKLBOHEFSVJHT-PBHICJAKSA-N 1 0 276.424 3.047 20 10 CGCDRO Cc1ncsc1C[N@@H+](C)Cc1c(O)ccc2ccncc21 ZINC000738160363 572365195 /nfs/dbraw/zinc/36/51/95/572365195.db2.gz IMVXGZVCZPFEJR-UHFFFAOYSA-N 1 0 299.399 3.337 20 10 CGCDRO Oc1ccccc1C[N@@H+](Cc1ccco1)C[C@H]1CCOC1 ZINC000732202554 572452011 /nfs/dbraw/zinc/45/20/11/572452011.db2.gz WGDUJSKAAHBKHE-CQSZACIVSA-N 1 0 287.359 3.024 20 10 CGCDRO COc1cccc(C[NH2+][C@@H]2CSc3ccccc32)c1O ZINC000735508919 572725745 /nfs/dbraw/zinc/72/57/45/572725745.db2.gz QRPRESZAONCDRT-CYBMUJFWSA-N 1 0 287.384 3.337 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H](C)c2ccncc2)cc1C ZINC000749298965 572991725 /nfs/dbraw/zinc/99/17/25/572991725.db2.gz ZWNVBCHVMXNISW-CQSZACIVSA-N 1 0 270.376 3.297 20 10 CGCDRO C[C@@H](C[NH2+]Cc1c(O)cccc1Cl)c1ccncc1 ZINC000749295952 572991829 /nfs/dbraw/zinc/99/18/29/572991829.db2.gz LBKQRDKTBMSKAR-NSHDSACASA-N 1 0 276.767 3.334 20 10 CGCDRO C[N@@H+](Cc1cc2c(cc1O)CCCC2)C[C@H]1CCCOC1 ZINC000160163225 617609531 /nfs/dbraw/zinc/60/95/31/617609531.db2.gz JZVWNXWJWWSZNU-CQSZACIVSA-N 1 0 289.419 3.129 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2C[C@H](C)CCC[C@@H]2C)cc1OC ZINC000160288925 617873416 /nfs/dbraw/zinc/87/34/16/617873416.db2.gz YVIYBUDPGRLAPW-OLZOCXBDSA-N 1 0 293.407 3.420 20 10 CGCDRO CC[C@]1(C)CCC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000160311491 617950271 /nfs/dbraw/zinc/95/02/71/617950271.db2.gz ACDICTNZRUNECX-QGZVFWFLSA-N 1 0 293.407 3.422 20 10 CGCDRO COc1cc(C[N@@H+]2CCC3(CCCC3)C2)c(O)cc1C ZINC000160314457 617951228 /nfs/dbraw/zinc/95/12/28/617951228.db2.gz CFXLKDDLYXWINU-UHFFFAOYSA-N 1 0 275.392 3.475 20 10 CGCDRO COc1cccc(C[NH2+]C2CCC(C)(C)CC2)c1O ZINC000079675751 617981276 /nfs/dbraw/zinc/98/12/76/617981276.db2.gz BUTIDIDUUINWLX-UHFFFAOYSA-N 1 0 263.381 3.459 20 10 CGCDRO COc1ccc(C[N@H+](CC(C)C)C2CC2)c(O)c1OC ZINC000891668556 618244728 /nfs/dbraw/zinc/24/47/28/618244728.db2.gz PTCLIDTYJDLQSE-UHFFFAOYSA-N 1 0 279.380 3.030 20 10 CGCDRO Cc1nn(C(C)C)c(C)c1C[N@H+](C)Cc1ccccc1O ZINC000891713360 618254497 /nfs/dbraw/zinc/25/44/97/618254497.db2.gz ASYPEPBLYDNYCF-UHFFFAOYSA-N 1 0 287.407 3.418 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCOCCC(C)C)c1 ZINC000045093884 618619109 /nfs/dbraw/zinc/61/91/09/618619109.db2.gz DJQPYNQUBXSDSP-ZDUSSCGKSA-N 1 0 281.396 3.114 20 10 CGCDRO Cc1cccc(CC[NH2+]Cc2ccc(N(C)C)cc2)c1 ZINC000051668592 618624741 /nfs/dbraw/zinc/62/47/41/618624741.db2.gz OAMMMLZZDCXBNI-UHFFFAOYSA-N 1 0 268.404 3.393 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@H]2CN2CCCC2)c1 ZINC000178891128 618712839 /nfs/dbraw/zinc/71/28/39/618712839.db2.gz FIHAFCDDPHIODL-KRWDZBQOSA-N 1 0 288.435 3.069 20 10 CGCDRO CO[C@@]1(C)C[C@@H]([N@H+](C)Cc2ccccc2O)C1(C)C ZINC000179584954 618795991 /nfs/dbraw/zinc/79/59/91/618795991.db2.gz VYNSKRFNWRMCRQ-ZBFHGGJFSA-N 1 0 263.381 3.028 20 10 CGCDRO CCS[C@H]1CC[C@H]([N@H+](C)Cc2ccccc2O)C1 ZINC000179584709 618796185 /nfs/dbraw/zinc/79/61/85/618796185.db2.gz NHUOJDGWVPCWOP-KBPBESRZSA-N 1 0 265.422 3.498 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCC(F)(F)C1)c1cc(F)ccc1O ZINC000310948121 618880008 /nfs/dbraw/zinc/88/00/08/618880008.db2.gz LIUIOQPJXJNLKQ-WCBMZHEXSA-N 1 0 259.271 3.370 20 10 CGCDRO COc1cccc(C[NH2+][C@@H]2CCCCC2(C)C)c1O ZINC000094323710 618899024 /nfs/dbraw/zinc/89/90/24/618899024.db2.gz JAXJILIXDCSZKT-CQSZACIVSA-N 1 0 263.381 3.459 20 10 CGCDRO CSCC[C@@H](C)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000168789970 618914050 /nfs/dbraw/zinc/91/40/50/618914050.db2.gz BZBPSZCHMNBSFD-ZJUUUORDSA-N 1 0 257.374 3.324 20 10 CGCDRO CC[C@@H]([NH2+]CCOc1cccnc1)c1ccc(N(C)C)cc1 ZINC000169041272 618915464 /nfs/dbraw/zinc/91/54/64/618915464.db2.gz RZVIMXLOCTWTJW-GOSISDBHSA-N 1 0 299.418 3.267 20 10 CGCDRO Cc1cc(C[NH2+]Cc2ccccc2O)c2c(n1)CCCC2 ZINC000892793598 618936678 /nfs/dbraw/zinc/93/66/78/618936678.db2.gz ZRCZPPKNHMMNMN-UHFFFAOYSA-N 1 0 282.387 3.264 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)cc1 ZINC000178312331 618938707 /nfs/dbraw/zinc/93/87/07/618938707.db2.gz LULTWDKLPVDVCG-YYQUZTFQSA-N 1 0 274.408 3.113 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)CN2CCC[C@H](C)C2)c(O)c1 ZINC000185123495 625308303 /nfs/dbraw/zinc/30/83/03/625308303.db2.gz RGYFHDBCDHRAPY-JYJNAYRXSA-N 1 0 290.451 3.472 20 10 CGCDRO CC[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000893087440 618991637 /nfs/dbraw/zinc/99/16/37/618991637.db2.gz WBXZKNMFNDVLQU-NWDGAFQWSA-N 1 0 281.396 3.324 20 10 CGCDRO CCOC(=O)C[C@@](C)([NH2+]Cc1cc(C)ccc1O)C(C)C ZINC000185232947 619059032 /nfs/dbraw/zinc/05/90/32/619059032.db2.gz ZQNLNUISGZWAGG-QGZVFWFLSA-N 1 0 293.407 3.158 20 10 CGCDRO CC[C@H]([NH2+]CC1(O)CCC1)c1cc(Cl)ccc1O ZINC000775503215 619074757 /nfs/dbraw/zinc/07/47/57/619074757.db2.gz DLDZYKNDNMNLIW-LBPRGKRZSA-N 1 0 269.772 3.001 20 10 CGCDRO CC(C)N(C)C[C@@H](C)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000312467696 619078604 /nfs/dbraw/zinc/07/86/04/619078604.db2.gz WUQUPYLZUAFQQQ-HUUCEWRRSA-N 1 0 277.456 3.132 20 10 CGCDRO C[N@@H+]1CC[C@@H](CSc2ncc(C(C)(C)C)s2)C1 ZINC000187694430 619079441 /nfs/dbraw/zinc/07/94/41/619079441.db2.gz BDGKLFUKKQTYQU-SNVBAGLBSA-N 1 0 270.467 3.484 20 10 CGCDRO CC(C)OC1CC([NH2+]CCCSc2nccs2)C1 ZINC000189541337 619093512 /nfs/dbraw/zinc/09/35/12/619093512.db2.gz QPFTZSWUEGLKOA-UHFFFAOYSA-N 1 0 286.466 3.171 20 10 CGCDRO Cc1cncc(C[NH2+]Cc2c(O)cc(C)cc2Cl)c1 ZINC000840906849 619112167 /nfs/dbraw/zinc/11/21/67/619112167.db2.gz JIVQQZZEMASDCL-UHFFFAOYSA-N 1 0 276.767 3.347 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CCSCC[C@H]2C)c1 ZINC000191817936 619113084 /nfs/dbraw/zinc/11/30/84/619113084.db2.gz KYRLAKALEZLVQO-GFCCVEGCSA-N 1 0 281.421 3.118 20 10 CGCDRO CC(C)C[C@H]1OCCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000185196922 625319506 /nfs/dbraw/zinc/31/95/06/625319506.db2.gz UYBOTPKEEVLJAG-FUHWJXTLSA-N 1 0 289.419 3.305 20 10 CGCDRO CCC[C@]1(COC)CCC[N@@H+]1Cc1cc(OC)ccc1O ZINC000195199248 619147592 /nfs/dbraw/zinc/14/75/92/619147592.db2.gz YLMCQGGDQPPTOT-QGZVFWFLSA-N 1 0 293.407 3.182 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CC[C@@H]1CCO[C@H](C)C1 ZINC000840940064 619231903 /nfs/dbraw/zinc/23/19/03/619231903.db2.gz VDQMMHPDYRIZQW-HZPDHXFCSA-N 1 0 290.451 3.356 20 10 CGCDRO C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1cc(Cl)ccc1O ZINC000105446973 619236997 /nfs/dbraw/zinc/23/69/97/619236997.db2.gz ASNNTCLOZBGMLA-LLVKDONJSA-N 1 0 291.778 3.472 20 10 CGCDRO CCc1nocc1C[N@H+](C)Cc1ccc(N(C)C)cc1C ZINC000840949571 619251920 /nfs/dbraw/zinc/25/19/20/619251920.db2.gz YFROMHHEIBHQED-UHFFFAOYSA-N 1 0 287.407 3.243 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2C[C@@H](C)O[C@@H]2C)c(Cl)c1 ZINC000840965066 619285021 /nfs/dbraw/zinc/28/50/21/619285021.db2.gz ZZBODYBJLSCWSL-UTUOFQBUSA-N 1 0 283.799 3.257 20 10 CGCDRO CC(C)C[C@@H](C[NH2+][C@H](C)c1cc(F)ccc1O)N(C)C ZINC000094616997 619285592 /nfs/dbraw/zinc/28/55/92/619285592.db2.gz MCPRSJNKIGYKFD-OCCSQVGLSA-N 1 0 282.403 3.158 20 10 CGCDRO C[C@@H]([NH2+]C[C@H]1Cc2ccccc2O1)c1cc(F)ccc1O ZINC000094617740 619285656 /nfs/dbraw/zinc/28/56/56/619285656.db2.gz NCMIOPFHSYPMFC-BXUZGUMPSA-N 1 0 287.334 3.186 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1ccc2c(c1)OCO2 ZINC000319272007 619291380 /nfs/dbraw/zinc/29/13/80/619291380.db2.gz RJSIFDXPNRJWBA-SMDDNHRTSA-N 1 0 297.354 3.459 20 10 CGCDRO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H](C)c1ccccc1O ZINC000248384103 619380155 /nfs/dbraw/zinc/38/01/55/619380155.db2.gz CQOAXTQGBOKSMG-FZKCQIBNSA-N 1 0 290.451 3.409 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@@H](C)CCc2ccco2)c1O ZINC000894142858 619391752 /nfs/dbraw/zinc/39/17/52/619391752.db2.gz OOOKJXUWUOKKMO-ZDUSSCGKSA-N 1 0 289.375 3.413 20 10 CGCDRO CCCSC[C@H](C)[NH2+]Cc1ccc(OC)cc1O ZINC000894184999 619408678 /nfs/dbraw/zinc/40/86/78/619408678.db2.gz IMDRPHSOCIYDAD-NSHDSACASA-N 1 0 269.410 3.022 20 10 CGCDRO COc1ccc(C[N@H+](CC2CC2)C2CCC2)c(O)c1OC ZINC000894187000 619408746 /nfs/dbraw/zinc/40/87/46/619408746.db2.gz FCXBUIZAGPAKEB-UHFFFAOYSA-N 1 0 291.391 3.174 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@H](C)c2c(C)noc2C)c1O ZINC000894275930 619460904 /nfs/dbraw/zinc/46/09/04/619460904.db2.gz FFDUFXIKMDHQKC-SNVBAGLBSA-N 1 0 290.363 3.165 20 10 CGCDRO CCC1(C[NH2+]Cc2cc(C)cc(OC)c2O)CCOCC1 ZINC000894310380 619483574 /nfs/dbraw/zinc/48/35/74/619483574.db2.gz IPDJQUWRUXMTGL-UHFFFAOYSA-N 1 0 293.407 3.006 20 10 CGCDRO COc1cc(C)cc(C[NH2+]Cc2ccc3c(c2)COC3)c1O ZINC000894345505 619498909 /nfs/dbraw/zinc/49/89/09/619498909.db2.gz JDZDPNRYSAWNQQ-UHFFFAOYSA-N 1 0 299.370 3.029 20 10 CGCDRO COc1cc(C)cc(C[N@H+](C)Cc2ccc(C)cn2)c1O ZINC000894540123 619568848 /nfs/dbraw/zinc/56/88/48/619568848.db2.gz CSEWBKGIHUGUOP-UHFFFAOYSA-N 1 0 286.375 3.045 20 10 CGCDRO COc1ccc(C[NH2+][C@@]2(C)CCCC[C@@H]2C)c(O)c1OC ZINC000894811408 619641144 /nfs/dbraw/zinc/64/11/44/619641144.db2.gz UPKBNIALOBMHLI-SJCJKPOMSA-N 1 0 293.407 3.468 20 10 CGCDRO COc1cc(C)cc(C[NH2+][C@@H]2CCCC[C@H]2F)c1O ZINC000894995105 619693696 /nfs/dbraw/zinc/69/36/96/619693696.db2.gz YDVXONKTTPIISP-CHWSQXEVSA-N 1 0 267.344 3.080 20 10 CGCDRO C[C@H]1CC2(CC([NH2+]Cc3cc(Cl)ccc3O)C2)CO1 ZINC000895155500 619759623 /nfs/dbraw/zinc/75/96/23/619759623.db2.gz JIMJHHJMYFZOKH-KKJMOOEGSA-N 1 0 281.783 3.093 20 10 CGCDRO CN(C)[C@@H](C[NH2+]Cc1cc(Cl)ccc1O)c1ccco1 ZINC000020122296 619766694 /nfs/dbraw/zinc/76/66/94/619766694.db2.gz DYOBZFYKALYYOP-ZDUSSCGKSA-N 1 0 294.782 3.031 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000895841580 619892003 /nfs/dbraw/zinc/89/20/03/619892003.db2.gz CXODFKSGUABEOI-FUHWJXTLSA-N 1 0 288.435 3.062 20 10 CGCDRO C[C@H]([NH2+]C[C@@H]1C[C@@]1(C)Br)c1ccccc1O ZINC000895850972 619897395 /nfs/dbraw/zinc/89/73/95/619897395.db2.gz HKPUAPHKKVTDJQ-OUJBWJOFSA-N 1 0 284.197 3.216 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H]2C[C@](C)(OC)C2(C)C)c1O ZINC000072926488 625380302 /nfs/dbraw/zinc/38/03/02/625380302.db2.gz LIVRYJWHXVMXHR-PBHICJAKSA-N 1 0 293.407 3.084 20 10 CGCDRO Cc1cccc(O)c1C[NH2+][C@H]1CCS[C@H](C)C1 ZINC000896953053 620112755 /nfs/dbraw/zinc/11/27/55/620112755.db2.gz UIWWRYADGXUEFP-NEPJUHHUSA-N 1 0 251.395 3.074 20 10 CGCDRO Cc1noc(C)c1[C@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000073007071 625405564 /nfs/dbraw/zinc/40/55/64/625405564.db2.gz UQIBXRASMNSGKU-JTQLQIEISA-N 1 0 272.348 3.077 20 10 CGCDRO CC1=C[C@H](C)C[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000797604374 620220492 /nfs/dbraw/zinc/22/04/92/620220492.db2.gz DXNKULPTIWZFIZ-LBPRGKRZSA-N 1 0 262.372 3.290 20 10 CGCDRO COc1ccc(C[NH2+]CCCOCC(C)C)cc1C ZINC000035052784 620265548 /nfs/dbraw/zinc/26/55/48/620265548.db2.gz RSRRWSVUIZRZLL-UHFFFAOYSA-N 1 0 265.397 3.156 20 10 CGCDRO C[C@H]1C[NH+](Cc2ccccc2O)C[C@H](C)C1(F)F ZINC000862444092 620298946 /nfs/dbraw/zinc/29/89/46/620298946.db2.gz SXLYJJDHLGOUES-QWRGUYRKSA-N 1 0 255.308 3.115 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C2CC3(C2)CO[C@@H](C)C3)cc1Cl ZINC000897775351 620427587 /nfs/dbraw/zinc/42/75/87/620427587.db2.gz CAHGPULZQPABJN-XOMBGVMMSA-N 1 0 295.810 3.401 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C2CC3(C2)CO[C@H](C)C3)c(Cl)c1 ZINC000897776691 620427602 /nfs/dbraw/zinc/42/76/02/620427602.db2.gz UXPOSJLMXSIWQD-OPGSHWCFSA-N 1 0 295.810 3.401 20 10 CGCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+][C@@H]1CC12CC(O)C2 ZINC000897850561 620439672 /nfs/dbraw/zinc/43/96/72/620439672.db2.gz JOOVFCUVFDOKPV-CUYAVPTFSA-N 1 0 295.382 3.062 20 10 CGCDRO CC[C@H]([NH2+]C[C@]12C[C@H]1COC21CCC1)c1ccccc1O ZINC000898065443 620474039 /nfs/dbraw/zinc/47/40/39/620474039.db2.gz VSFKAWMWGKDSOY-JLJPHGGASA-N 1 0 287.403 3.392 20 10 CGCDRO C[NH2+]Cc1cccc(NCc2cc(C)ccc2O)c1 ZINC000841042389 620535828 /nfs/dbraw/zinc/53/58/28/620535828.db2.gz GJOWSEYOJYXYHT-UHFFFAOYSA-N 1 0 256.349 3.032 20 10 CGCDRO C[C@@H]1CC[C@H]([NH2+]C[C@H](N)c2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000841046023 620544185 /nfs/dbraw/zinc/54/41/85/620544185.db2.gz UOASHSWSAAUUNE-KNCCTNLNSA-N 1 0 289.467 3.167 20 10 CGCDRO C[C@H]([NH2+]C1([C@H]2CCCCO2)CC1)c1cc(F)ccc1O ZINC000927158926 620611630 /nfs/dbraw/zinc/61/16/30/620611630.db2.gz DKKVQDLNHIVBDY-XHDPSFHLSA-N 1 0 279.355 3.284 20 10 CGCDRO Oc1cccc2c1[C@@H]([NH2+]Cc1nccc3c1CCCC3)CC2 ZINC000903182034 621616214 /nfs/dbraw/zinc/61/62/14/621616214.db2.gz LWHPLBADVTYPDP-INIZCTEOSA-N 1 0 294.398 3.443 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]Cc2cc(N(C)C)ccn2)c(O)c1 ZINC000903199093 621623643 /nfs/dbraw/zinc/62/36/43/621623643.db2.gz TUSYLSZRGHCNIJ-ZDUSSCGKSA-N 1 0 285.391 3.012 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC[C@@H]2CCCC[C@@H]2O)c1 ZINC000903262822 621648578 /nfs/dbraw/zinc/64/85/78/621648578.db2.gz HFRYUTMBLPXBCE-YCPHGPKFSA-N 1 0 277.408 3.292 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cnn(CCF)c1)c1ccc(C)cc1O ZINC000903274984 621658015 /nfs/dbraw/zinc/65/80/15/621658015.db2.gz UYWYTYPSJHLUND-OAHLLOKOSA-N 1 0 291.370 3.108 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCN(C)[C@@H]2C)c1O ZINC000903301922 621668214 /nfs/dbraw/zinc/66/82/14/621668214.db2.gz UTHDOSAKSISIJP-MISXGVKJSA-N 1 0 282.815 3.097 20 10 CGCDRO CC1(C)CC2(CC([NH2+][C@H]3CCc4cccc(O)c43)C2)CO1 ZINC000903322160 621676489 /nfs/dbraw/zinc/67/64/89/621676489.db2.gz ABJHFQFABADVPP-FVRSWCFKSA-N 1 0 287.403 3.317 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc3nonc3c2)c(O)c1C ZINC000903323575 621677184 /nfs/dbraw/zinc/67/71/84/621677184.db2.gz FHZJWCXUHCECFB-GFCCVEGCSA-N 1 0 297.358 3.396 20 10 CGCDRO Cc1cc(CO)cc(C)c1C[NH2+][C@@H](C)c1ccccc1O ZINC000903308999 621681544 /nfs/dbraw/zinc/68/15/44/621681544.db2.gz SURMBNHHWUQPCI-AWEZNQCLSA-N 1 0 285.387 3.352 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](c2ncccn2)C2CC2)c(O)c1 ZINC000903326409 621700517 /nfs/dbraw/zinc/70/05/17/621700517.db2.gz LQNJEZVSOGMJOT-BLLLJJGKSA-N 1 0 283.375 3.293 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C2CC(CCO)C2)c1O ZINC000903332331 621707063 /nfs/dbraw/zinc/70/70/63/621707063.db2.gz IHNBOVVKCFBOQX-XSRFYTQQSA-N 1 0 283.799 3.166 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCOC23CCCC3)c1 ZINC000903384256 621725065 /nfs/dbraw/zinc/72/50/65/621725065.db2.gz VAZSTLYURKLUCG-XJKSGUPXSA-N 1 0 275.392 3.453 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCc2cccnc2C)c(O)c1 ZINC000903417290 621735448 /nfs/dbraw/zinc/73/54/48/621735448.db2.gz ZVBGYLMSGFJSRH-CQSZACIVSA-N 1 0 270.376 3.297 20 10 CGCDRO C[C@H]([NH2+][C@H]1COC[C@H]1C)c1ccc(N2CCCCC2)cc1 ZINC000903400776 621739259 /nfs/dbraw/zinc/73/92/59/621739259.db2.gz WPTDYVSCOKHOQZ-VKJFTORMSA-N 1 0 288.435 3.362 20 10 CGCDRO C[C@@H](C[NH2+]Cc1cc(F)ccc1O)c1ccccc1 ZINC000083432505 625519205 /nfs/dbraw/zinc/51/92/05/625519205.db2.gz QDZGUBCTPWCOGZ-LBPRGKRZSA-N 1 0 259.324 3.425 20 10 CGCDRO Cc1cc(C[C@@H](C)[NH2+][C@@H](C)c2cc(C)ccc2O)[nH]n1 ZINC000186130745 625519473 /nfs/dbraw/zinc/51/94/73/625519473.db2.gz PJVLEVWTZZESBE-YPMHNXCESA-N 1 0 273.380 3.014 20 10 CGCDRO COc1cccc(C[NH2+][C@H]2c3ccccc3NC2(C)C)c1O ZINC000903948932 621840434 /nfs/dbraw/zinc/84/04/34/621840434.db2.gz VYKGQHQOLDOEBH-KRWDZBQOSA-N 1 0 298.386 3.436 20 10 CGCDRO [NH3+]CCN(Cc1cccc(Cl)c1)Cc1ccccc1O ZINC000903955109 621843177 /nfs/dbraw/zinc/84/31/77/621843177.db2.gz ZTKDGNANYZQPJK-UHFFFAOYSA-N 1 0 290.794 3.007 20 10 CGCDRO CC(C)[C@@H](C)[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000163591552 622484704 /nfs/dbraw/zinc/48/47/04/622484704.db2.gz IUPAUSSVAYABFC-CQSZACIVSA-N 1 0 278.465 3.374 20 10 CGCDRO CCN(C(=O)C1=CCC[NH2+]CC1)c1cccc(Cl)c1 ZINC000912496081 622660206 /nfs/dbraw/zinc/66/02/06/622660206.db2.gz RAYALQURIZRMRC-UHFFFAOYSA-N 1 0 278.783 3.003 20 10 CGCDRO CC[C@H]([NH2+][C@@H](CO)CC(C)C)c1ccc(N(C)C)cc1 ZINC000151194839 622742803 /nfs/dbraw/zinc/74/28/03/622742803.db2.gz MEEDLUPMDWYGTH-WBVHZDCISA-N 1 0 278.440 3.200 20 10 CGCDRO C[C@H](C[NH2+]Cc1cc(Br)ccc1O)C1CC1 ZINC000163760387 622800584 /nfs/dbraw/zinc/80/05/84/622800584.db2.gz PPYQAWLIWQUEGP-SECBINFHSA-N 1 0 284.197 3.290 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](CC)c1ccccc1O)[C@@H]1CCCO1 ZINC000156935912 622851069 /nfs/dbraw/zinc/85/10/69/622851069.db2.gz HDVZOQJQPBZBLU-LZWOXQAQSA-N 1 0 263.381 3.391 20 10 CGCDRO COCC[C@@H](C)[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000157517530 622911043 /nfs/dbraw/zinc/91/10/43/622911043.db2.gz NTLUKCPSWAAYJL-MRXNPFEDSA-N 1 0 290.451 3.438 20 10 CGCDRO CC(C)C[NH+](Cc1cc2c(cc1O)OCO2)CC(C)C ZINC000058583287 622935519 /nfs/dbraw/zinc/93/55/19/622935519.db2.gz KOZPXSJCQOISIW-UHFFFAOYSA-N 1 0 279.380 3.235 20 10 CGCDRO C[N@H+](CCC[NH2+]Cc1cc(F)ccc1O)C1CCCCC1 ZINC000226582818 622984342 /nfs/dbraw/zinc/98/43/42/622984342.db2.gz UGPQZFJESARGAA-UHFFFAOYSA-N 1 0 294.414 3.276 20 10 CGCDRO Cc1csc([C@@H](C)[NH2+]Cc2cc(F)ccc2O)n1 ZINC000226590735 622986543 /nfs/dbraw/zinc/98/65/43/622986543.db2.gz UZYAONDGYPXOJH-SECBINFHSA-N 1 0 266.341 3.147 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H](C)c2ccc3c(c2)OCO3)c1O ZINC000158095070 623005183 /nfs/dbraw/zinc/00/51/83/623005183.db2.gz LBMPQJCGSZLHJD-LBPRGKRZSA-N 1 0 285.343 3.280 20 10 CGCDRO CO[C@@H]1CCC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000171130164 623134702 /nfs/dbraw/zinc/13/47/02/623134702.db2.gz BTYUNPMQHRLUEO-CQSZACIVSA-N 1 0 293.407 3.006 20 10 CGCDRO C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817977228 625626459 /nfs/dbraw/zinc/62/64/59/625626459.db2.gz FDEAEZPUFJFNKN-PRJMDXOYSA-N 1 0 277.195 3.085 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2CCC[C@H](O)C2)cc1 ZINC000230668705 623257923 /nfs/dbraw/zinc/25/79/23/623257923.db2.gz XFJFPIPZTOJJIR-AEFFLSMTSA-N 1 0 290.451 3.174 20 10 CGCDRO COc1cccc(C[NH2+][C@@H]2CCCCC[C@@H]2C)c1O ZINC000088507138 623463391 /nfs/dbraw/zinc/46/33/91/623463391.db2.gz KHFMOEZWUXCTLT-GXTWGEPZSA-N 1 0 263.381 3.459 20 10 CGCDRO CC[C@H]([NH2+]CC[C@H]1CCOC1)c1ccc(N(C)C)cc1 ZINC000753760926 623512107 /nfs/dbraw/zinc/51/21/07/623512107.db2.gz LARSHDPTESNUEQ-YOEHRIQHSA-N 1 0 276.424 3.220 20 10 CGCDRO CC[C@@H]([NH2+]CC[C@H]1CCOC1)c1ccc(N(C)C)cc1 ZINC000753760888 623513003 /nfs/dbraw/zinc/51/30/03/623513003.db2.gz LARSHDPTESNUEQ-WMLDXEAASA-N 1 0 276.424 3.220 20 10 CGCDRO CC[C@H](C[NH2+][C@H](C)c1ccc(N(C)C)cc1)N1CCCC1 ZINC000151671406 623556248 /nfs/dbraw/zinc/55/62/48/623556248.db2.gz SYSYBRMROLJYDE-NVXWUHKLSA-N 1 0 289.467 3.278 20 10 CGCDRO CCOc1ccc(N(CC)CCCCCNC(C)=O)cc1 ZINC000929913533 624095109 /nfs/dbraw/zinc/09/51/09/624095109.db2.gz OLLIYELPKBXJQV-UHFFFAOYSA-N 1 0 292.423 3.218 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C[C@H]2CCCCO2)C2CC2)cc1 ZINC000917073911 624233185 /nfs/dbraw/zinc/23/31/85/624233185.db2.gz HOXXDDLKYTXHQW-GOSISDBHSA-N 1 0 288.435 3.286 20 10 CGCDRO C[N@H+](Cc1ccccc1O)[C@H]1CCCN(c2ccccc2)C1 ZINC000179577373 624665687 /nfs/dbraw/zinc/66/56/87/624665687.db2.gz ONYJTYKPAUSUAB-SFHVURJKSA-N 1 0 296.414 3.493 20 10 CGCDRO COc1ccccc1C[N@H+](C)Cc1cc(F)ccc1O ZINC000179882769 624694759 /nfs/dbraw/zinc/69/47/59/624694759.db2.gz MRVHSCYGPQFRCB-UHFFFAOYSA-N 1 0 275.323 3.172 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCO[C@@](C)(c3ccccc3)C2)c1O ZINC000180203220 624726259 /nfs/dbraw/zinc/72/62/59/624726259.db2.gz FYJOPLLRTFFSIG-LJQANCHMSA-N 1 0 297.398 3.448 20 10 CGCDRO CN(C)c1cccc(C[N@H+](C)Cc2cc(F)ccc2O)c1 ZINC000180245249 624730128 /nfs/dbraw/zinc/73/01/28/624730128.db2.gz JCNDCTOENGQJMK-UHFFFAOYSA-N 1 0 288.366 3.229 20 10 CGCDRO CC(=O)c1cc(Cl)cc(CN2CCSC[C@H]2C)c1O ZINC000070220494 624986500 /nfs/dbraw/zinc/98/65/00/624986500.db2.gz TWVOIULGCRGHJR-SECBINFHSA-N 1 0 299.823 3.186 20 10 CGCDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1cc(F)cc(C(C)=O)c1O ZINC000183058908 625043361 /nfs/dbraw/zinc/04/33/61/625043361.db2.gz FKFKXPCTAZEYKL-NXEZZACHSA-N 1 0 267.344 3.258 20 10 CGCDRO CC[C@@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccccc1O ZINC000183331042 625063355 /nfs/dbraw/zinc/06/33/55/625063355.db2.gz JVZLDIIEECOADD-QGZVFWFLSA-N 1 0 296.370 3.384 20 10 CGCDRO CC(C)Oc1ccc(C[NH2+][C@H](C)c2ccccc2O)cn1 ZINC000183425399 625070645 /nfs/dbraw/zinc/07/06/45/625070645.db2.gz GSFOKINGKZTYGZ-CYBMUJFWSA-N 1 0 286.375 3.425 20 10 CGCDRO C[C@@H]([NH2+]C[C@H](C)N1CCc2ccccc21)c1ccccc1O ZINC000183456150 625075874 /nfs/dbraw/zinc/07/58/74/625075874.db2.gz MZHNXSPPOPICSM-LSDHHAIUSA-N 1 0 296.414 3.494 20 10 CGCDRO Cc1nc(C)c(CC[NH2+][C@H](C)c2ccccc2O)s1 ZINC000183504235 625081257 /nfs/dbraw/zinc/08/12/57/625081257.db2.gz ABUDJZWDOPDTQK-SNVBAGLBSA-N 1 0 276.405 3.359 20 10 CGCDRO COC(=O)CC1([NH2+]Cc2cc(C)ccc2O)CCCCC1 ZINC000756131468 625816472 /nfs/dbraw/zinc/81/64/72/625816472.db2.gz IORKOHGDYCBSIJ-UHFFFAOYSA-N 1 0 291.391 3.056 20 10 CGCDRO CC1(C)C[C@@H](C[NH2+]Cc2ccc3c(c2)CCCO3)CCO1 ZINC000922168709 625978600 /nfs/dbraw/zinc/97/86/00/625978600.db2.gz BDQJFBPLQMPTAM-HNNXBMFYSA-N 1 0 289.419 3.306 20 10 CGCDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)CCS1 ZINC000922833283 626052672 /nfs/dbraw/zinc/05/26/72/626052672.db2.gz FXNLZOYLQRJWOH-WFASDCNBSA-N 1 0 277.433 3.385 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H]2CCS[C@@H](C)C2)c1 ZINC000922836812 626054119 /nfs/dbraw/zinc/05/41/19/626054119.db2.gz OFUSEHKRRWZOJR-AAEUAGOBSA-N 1 0 251.395 3.074 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H]2CCS[C@@H](C)C2)c1O ZINC000922844026 626056695 /nfs/dbraw/zinc/05/66/95/626056695.db2.gz VBVJKCIFFJQODF-WCQYABFASA-N 1 0 281.421 3.165 20 10 CGCDRO C[C@H](C[NH2+][C@H](C)c1ccccc1O)c1nccs1 ZINC000186738208 626072304 /nfs/dbraw/zinc/07/23/04/626072304.db2.gz AMKRKJSHYXKEJE-GHMZBOCLSA-N 1 0 262.378 3.303 20 10 CGCDRO COC[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(C)C ZINC000086682792 626083995 /nfs/dbraw/zinc/08/39/95/626083995.db2.gz HHDJKVNTFJUJLJ-XJKSGUPXSA-N 1 0 264.413 3.074 20 10 CGCDRO COc1cc(C)cc(C[N@H+](C)CCC(C)C)c1O ZINC000164209570 626085659 /nfs/dbraw/zinc/08/56/59/626085659.db2.gz LKRWXCLYAHNBBI-UHFFFAOYSA-N 1 0 251.370 3.187 20 10 CGCDRO Cc1ccccc1CC[NH2+]Cc1cccc(C)c1O ZINC000124642751 634476867 /nfs/dbraw/zinc/47/68/67/634476867.db2.gz QEFQNTKKEKZMIJ-UHFFFAOYSA-N 1 0 255.361 3.341 20 10 CGCDRO CCc1onc(C)c1C[NH2+]Cc1cc(C)c(C)cc1O ZINC000922984222 626113362 /nfs/dbraw/zinc/11/33/62/626113362.db2.gz XAZDKSBPZIJZMS-UHFFFAOYSA-N 1 0 274.364 3.158 20 10 CGCDRO C[C@@H]([NH2+]CC1(N(C)C)CCCCC1)c1ccccc1O ZINC000020094563 634482754 /nfs/dbraw/zinc/48/27/54/634482754.db2.gz NTZYFBDHYDWBDI-CQSZACIVSA-N 1 0 276.424 3.307 20 10 CGCDRO CCOc1ccc(O)c(C[NH+]2CC(C(C)(C)C)C2)c1 ZINC000839146211 626316887 /nfs/dbraw/zinc/31/68/87/626316887.db2.gz ZIBWNEYKCIDAAP-UHFFFAOYSA-N 1 0 263.381 3.269 20 10 CGCDRO C[C@H]1CC[N@H+](Cc2c(O)ccc3ccncc32)[C@H]1C ZINC000751945177 626412524 /nfs/dbraw/zinc/41/25/24/626412524.db2.gz YHIGYJPDTDKMRN-RYUDHWBXSA-N 1 0 256.349 3.171 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C2(C)CCC(F)(F)CC2)c1 ZINC000753568169 626455553 /nfs/dbraw/zinc/45/55/53/626455553.db2.gz GCNIFXDDUPKBLU-UHFFFAOYSA-N 1 0 285.334 3.458 20 10 CGCDRO CCC(=O)CC[N@@H+](C)Cc1ccc(N(CC)CC)cc1 ZINC000753695916 626462469 /nfs/dbraw/zinc/46/24/69/626462469.db2.gz CPSHJPRTJHXEPI-UHFFFAOYSA-N 1 0 276.424 3.334 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CC[C@@H]2CCOC2)cc1 ZINC000753762563 626464949 /nfs/dbraw/zinc/46/49/49/626464949.db2.gz WDPIPTTWEVOXCU-HUUCEWRRSA-N 1 0 276.424 3.220 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000754739615 626585792 /nfs/dbraw/zinc/58/57/92/626585792.db2.gz FZAKXMFXSPYRTK-CVEARBPZSA-N 1 0 289.419 3.258 20 10 CGCDRO CC(C)[C@H]1CC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000755921213 626660390 /nfs/dbraw/zinc/66/03/90/626660390.db2.gz NQXQHBCTIWYQAN-AWEZNQCLSA-N 1 0 270.376 3.418 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]CCCOCC2CC2)c2c1c(F)ccc2O ZINC000756361458 626696122 /nfs/dbraw/zinc/69/61/22/626696122.db2.gz ZZOOHXJEBFKAAV-RISCZKNCSA-N 1 0 293.382 3.486 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]C[C@H](C2CC2)N(C)C)c2c1c(F)ccc2O ZINC000756434005 626705568 /nfs/dbraw/zinc/70/55/68/626705568.db2.gz SUELLUFKUAJDBM-LERXQTSPSA-N 1 0 292.398 3.009 20 10 CGCDRO CC(C)C[C@H](CO)[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756449454 626706879 /nfs/dbraw/zinc/70/68/79/626706879.db2.gz MGKGREKWLHSCHM-DMDPSCGWSA-N 1 0 281.371 3.076 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](CO)Cc2ccccc2)c1 ZINC000756461185 626707582 /nfs/dbraw/zinc/70/75/82/626707582.db2.gz WLUCLZCNAWAIRE-DOTOQJQBSA-N 1 0 299.414 3.202 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccccc2CO)c1 ZINC000756461179 626707816 /nfs/dbraw/zinc/70/78/16/626707816.db2.gz WJJOMVGMAJNECK-CYBMUJFWSA-N 1 0 271.360 3.044 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]CC2CCOCC2)c2c1c(F)ccc2O ZINC000756510497 626711373 /nfs/dbraw/zinc/71/13/73/626711373.db2.gz JBGJRUDPXPFGNQ-MFKMUULPSA-N 1 0 279.355 3.096 20 10 CGCDRO CCN(CC)C[C@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000756536435 626713254 /nfs/dbraw/zinc/71/32/54/626713254.db2.gz VRLIPXGPORWSKT-RYUDHWBXSA-N 1 0 284.831 3.427 20 10 CGCDRO Cc1cc(C[NH2+][C@H](C)c2ccc(C)c(C)c2O)on1 ZINC000756546472 626713979 /nfs/dbraw/zinc/71/39/79/626713979.db2.gz QHCVPOULALVLDO-GFCCVEGCSA-N 1 0 260.337 3.156 20 10 CGCDRO COC[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)C(C)C ZINC000756597028 626719347 /nfs/dbraw/zinc/71/93/47/626719347.db2.gz JGSGJFLZZAIPRF-WXHSDQCUSA-N 1 0 281.371 3.340 20 10 CGCDRO CC[C@H](C[C@H](C)CO)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000756628736 626721888 /nfs/dbraw/zinc/72/18/88/626721888.db2.gz XEHPYDTURSDYPY-GMXVVIOVSA-N 1 0 285.815 3.493 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C[C@@H]2CCOC2)c(O)c1 ZINC000756647845 626724053 /nfs/dbraw/zinc/72/40/53/626724053.db2.gz WCOGYECGPCFNJE-IHRRRGAJSA-N 1 0 263.381 3.166 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]CCNc2cccc(C)n2)c(O)c1 ZINC000756747365 626729470 /nfs/dbraw/zinc/72/94/70/626729470.db2.gz OHQYQXSORSEVOJ-AWEZNQCLSA-N 1 0 285.391 3.167 20 10 CGCDRO Cc1ncc(CC[NH2+][C@@H](C)c2cc(F)ccc2O)s1 ZINC000756761905 626729737 /nfs/dbraw/zinc/72/97/37/626729737.db2.gz RTBXTMKVGUHBEQ-VIFPVBQESA-N 1 0 280.368 3.190 20 10 CGCDRO CCOc1ccc(C[N@H+](C)[C@@H](C)c2cccnc2)c(O)c1 ZINC000757891194 626812416 /nfs/dbraw/zinc/81/24/16/626812416.db2.gz LXVMREVAUOJOOK-ZDUSSCGKSA-N 1 0 286.375 3.379 20 10 CGCDRO Oc1ccccc1C[N@@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000758061592 626824766 /nfs/dbraw/zinc/82/47/66/626824766.db2.gz AGKMRQNCRBBBBH-QGZVFWFLSA-N 1 0 275.392 3.173 20 10 CGCDRO CC[N@H+](CCC1CC1)Cc1cc(OC)c(OC)cc1O ZINC000760538044 626977380 /nfs/dbraw/zinc/97/73/80/626977380.db2.gz JINMJYRMSYNQAQ-UHFFFAOYSA-N 1 0 279.380 3.031 20 10 CGCDRO Cc1cccc2c1C[N@H+](Cc1cc(F)ccc1O)CC2 ZINC000763499335 627161238 /nfs/dbraw/zinc/16/12/38/627161238.db2.gz CJIXHVBBQKZQAG-UHFFFAOYSA-N 1 0 271.335 3.398 20 10 CGCDRO CC[C@H](C)[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000765126635 627241017 /nfs/dbraw/zinc/24/10/17/627241017.db2.gz LIESRXPGSOKTHB-BFHYXJOUSA-N 1 0 294.414 3.327 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)Cc1cnccn1)c1ccc(N(C)C)cc1 ZINC000765439812 627249326 /nfs/dbraw/zinc/24/93/26/627249326.db2.gz LWCGZCAOFUQKJL-KSSFIOAISA-N 1 0 298.434 3.215 20 10 CGCDRO CCC[C@](C)(O)C[NH2+][C@H](CC)c1ccc(N(C)C)cc1 ZINC000765939378 627279056 /nfs/dbraw/zinc/27/90/56/627279056.db2.gz ARQJRXWALUSZSC-SJORKVTESA-N 1 0 278.440 3.344 20 10 CGCDRO COc1cccc(O)c1C[NH2+][C@H]1C[C@H](OC(C)C)C1(C)C ZINC000766088517 627293945 /nfs/dbraw/zinc/29/39/45/627293945.db2.gz KIXPMKGVRKCEHP-HOTGVXAUSA-N 1 0 293.407 3.083 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C2CCC(C)(O)CC2)cc1 ZINC000766478331 627335685 /nfs/dbraw/zinc/33/56/85/627335685.db2.gz IUUPESKOTMYYQK-MXWWQKGMSA-N 1 0 290.451 3.487 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H](C)CC(F)(F)F)cc1C ZINC000766479980 627335722 /nfs/dbraw/zinc/33/57/22/627335722.db2.gz REDIKQPRVAWUIQ-JTQLQIEISA-N 1 0 261.287 3.440 20 10 CGCDRO CC(C)C[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000767370959 627402925 /nfs/dbraw/zinc/40/29/25/627402925.db2.gz HLVDQYHHXJRCGA-OAHLLOKOSA-N 1 0 296.842 3.256 20 10 CGCDRO CC[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc(C)ccc1O ZINC000768196757 627467989 /nfs/dbraw/zinc/46/79/89/627467989.db2.gz GSCYJXNBPSICLZ-UHFFFAOYSA-N 1 0 299.370 3.451 20 10 CGCDRO CCN(CC)c1ccc(C[N@H+](CC)CCOC)cc1F ZINC000768251279 627470914 /nfs/dbraw/zinc/47/09/14/627470914.db2.gz AEBRYWWSBIXKGN-UHFFFAOYSA-N 1 0 282.403 3.140 20 10 CGCDRO CC(C)[C@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000768269490 627471749 /nfs/dbraw/zinc/47/17/49/627471749.db2.gz PNQSTBUPHNMQEU-AWEZNQCLSA-N 1 0 294.414 3.139 20 10 CGCDRO CCOCC[N@H+](CC)Cc1cc2c(cc1O)CCCC2 ZINC000768452728 627480842 /nfs/dbraw/zinc/48/08/42/627480842.db2.gz RXXNYLUXYCMRAB-UHFFFAOYSA-N 1 0 277.408 3.129 20 10 CGCDRO COC(C)(C)C[N@H+](C)Cc1cc2c(cc1O)CCCC2 ZINC000768464157 627481288 /nfs/dbraw/zinc/48/12/88/627481288.db2.gz NVUNCVRPKNCTNF-UHFFFAOYSA-N 1 0 277.408 3.128 20 10 CGCDRO CCC(CC)[N@H+](CCOC)Cc1c(O)cccc1OC ZINC000768600955 627488506 /nfs/dbraw/zinc/48/85/06/627488506.db2.gz HACZUIKDNLXYGQ-UHFFFAOYSA-N 1 0 281.396 3.038 20 10 CGCDRO CC[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000769011574 627516860 /nfs/dbraw/zinc/51/68/60/627516860.db2.gz YDCFFGPWQAYZFP-OAHLLOKOSA-N 1 0 292.398 3.037 20 10 CGCDRO CCOc1ccc(C[NH+]2C[C@H](C)S[C@@H](C)C2)c(O)c1 ZINC000769142779 627525134 /nfs/dbraw/zinc/52/51/34/627525134.db2.gz ZUVSQOXTKZYWIL-RYUDHWBXSA-N 1 0 281.421 3.117 20 10 CGCDRO CCOc1ccc(C[N@H+](C)CCCOC(C)C)c(O)c1 ZINC000769462012 627555770 /nfs/dbraw/zinc/55/57/70/627555770.db2.gz FDXSTQGCLVXSNZ-UHFFFAOYSA-N 1 0 281.396 3.038 20 10 CGCDRO C[C@H]([NH2+][C@@H](CO)c1ccsc1)c1ccc(N(C)C)cc1 ZINC000769991613 627596577 /nfs/dbraw/zinc/59/65/77/627596577.db2.gz YZRQVSCTOFIPHJ-LRDDRELGSA-N 1 0 290.432 3.198 20 10 CGCDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(Cc2ccccc2O)C1 ZINC000770510143 627623956 /nfs/dbraw/zinc/62/39/56/627623956.db2.gz YSWACJRUDDBRJA-INMHGKMJSA-N 1 0 288.435 3.229 20 10 CGCDRO CCOc1cccc(C[NH2+][C@@H](C)c2cnccc2C)c1O ZINC000770748425 627642255 /nfs/dbraw/zinc/64/22/55/627642255.db2.gz DSUJSTPUMRWPCU-ZDUSSCGKSA-N 1 0 286.375 3.345 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@H](C)c2cnccc2C)c1 ZINC000770746807 627642373 /nfs/dbraw/zinc/64/23/73/627642373.db2.gz OXAOZNHNGWWDAU-CYBMUJFWSA-N 1 0 256.349 3.255 20 10 CGCDRO CCN(C)c1ccc(C[N@H+](CCO)C2CCCCC2)cc1 ZINC000773806413 627917220 /nfs/dbraw/zinc/91/72/20/627917220.db2.gz IAOGZJXAZGGNNV-UHFFFAOYSA-N 1 0 290.451 3.270 20 10 CGCDRO CCN(C)c1ccc(C[NH2+][C@@]2(C)CCO[C@H]2C2CC2)cc1 ZINC000773834139 627918590 /nfs/dbraw/zinc/91/85/90/627918590.db2.gz CIOFOYKIWUJCSN-ROUUACIJSA-N 1 0 288.435 3.190 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCN2CCCC(C)(C)C2)c(O)c1 ZINC000774489846 627997763 /nfs/dbraw/zinc/99/77/63/627997763.db2.gz VOAOEYPPMBLCII-OAHLLOKOSA-N 1 0 290.451 3.473 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C[C@@H]2CCC=CO2)C2CC2)cc1 ZINC000774834218 628036035 /nfs/dbraw/zinc/03/60/35/628036035.db2.gz DMNCEHCJOZNPLL-SFHVURJKSA-N 1 0 286.419 3.410 20 10 CGCDRO C[C@H]([NH2+]Cc1ccn(-c2ccccc2)n1)c1ccccc1O ZINC000775131827 628066616 /nfs/dbraw/zinc/06/66/16/628066616.db2.gz WPWOJDQGHHCTTF-AWEZNQCLSA-N 1 0 293.370 3.429 20 10 CGCDRO CC[C@H]([NH2+]C[C@@H](C)COC)c1cc(Cl)ccc1O ZINC000775487715 628099440 /nfs/dbraw/zinc/09/94/40/628099440.db2.gz CTYMWSYHEPODLV-MFKMUULPSA-N 1 0 271.788 3.369 20 10 CGCDRO CC[C@H](CCO)C[NH2+][C@@H](CC)c1cc(Cl)ccc1O ZINC000775513907 628102905 /nfs/dbraw/zinc/10/29/05/628102905.db2.gz WFANCYIMARHQEL-RISCZKNCSA-N 1 0 285.815 3.495 20 10 CGCDRO CC[C@H]([NH2+]CCC[C@H](C)CO)c1cc(Cl)ccc1O ZINC000775527376 628104327 /nfs/dbraw/zinc/10/43/27/628104327.db2.gz WOOOIYIKSMYDKQ-FZMZJTMJSA-N 1 0 285.815 3.495 20 10 CGCDRO CC[C@@H]([NH2+]CCc1ccnn1C)c1cc(Cl)ccc1O ZINC000775556540 628106423 /nfs/dbraw/zinc/10/64/23/628106423.db2.gz ZUZOWJGEGSFXPH-CQSZACIVSA-N 1 0 293.798 3.063 20 10 CGCDRO Cc1cccc(C[N@H+](C)Cc2ccc3c(c2)OCCO3)c1O ZINC000775643581 628118030 /nfs/dbraw/zinc/11/80/30/628118030.db2.gz RLXZLIJSAVZFPQ-UHFFFAOYSA-N 1 0 299.370 3.104 20 10 CGCDRO CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(Cl)c2[O-])C[C@@H]1C ZINC000775715543 628128262 /nfs/dbraw/zinc/12/82/62/628128262.db2.gz GPKOUOJLSQHUGI-GXTWGEPZSA-N 1 0 296.842 3.350 20 10 CGCDRO CC(C)[C@H]1CC[N@@H+]1Cc1cc(Br)ccc1O ZINC000775765088 628134634 /nfs/dbraw/zinc/13/46/34/628134634.db2.gz NFIONKGWRYWJNX-GFCCVEGCSA-N 1 0 284.197 3.385 20 10 CGCDRO CCCN(CCC)c1ccc(C[NH2+][C@H]2CCN(C)C2)cc1 ZINC000776173912 628176048 /nfs/dbraw/zinc/17/60/48/628176048.db2.gz PGXONVWJLXFCJL-KRWDZBQOSA-N 1 0 289.467 3.107 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C2(c3ccc(F)cc3)CC2)c1 ZINC000776174008 628176212 /nfs/dbraw/zinc/17/62/12/628176212.db2.gz WGSDITZLTSNRCO-UHFFFAOYSA-N 1 0 287.334 3.319 20 10 CGCDRO Cc1ncc(CC[NH2+]Cc2c(O)cccc2Cl)s1 ZINC000776252184 628184520 /nfs/dbraw/zinc/18/45/20/628184520.db2.gz OVMOUZPQLCWFKB-UHFFFAOYSA-N 1 0 282.796 3.143 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CCO[C@@H](C)C2)c1O ZINC000776256207 628185285 /nfs/dbraw/zinc/18/52/85/628185285.db2.gz NDOFTPLSFTWFPN-NWDGAFQWSA-N 1 0 283.799 3.259 20 10 CGCDRO Cc1cccc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)c1O ZINC000776257614 628186152 /nfs/dbraw/zinc/18/61/52/628186152.db2.gz ZANYHVMEGPIKHN-VNHYZAJKSA-N 1 0 295.473 3.170 20 10 CGCDRO CC(C)[C@@H]1C[C@H](C[NH2+]Cc2ccc3c(c2)CCO3)CCO1 ZINC000779063856 628386093 /nfs/dbraw/zinc/38/60/93/628386093.db2.gz AVGUBMXRNKNVNE-QAPCUYQASA-N 1 0 289.419 3.162 20 10 CGCDRO CC(C)[C@H]1C[C@@H](C[NH2+]Cc2ccc3c(c2)CCO3)CCO1 ZINC000779063855 628386174 /nfs/dbraw/zinc/38/61/74/628386174.db2.gz AVGUBMXRNKNVNE-MAUKXSAKSA-N 1 0 289.419 3.162 20 10 CGCDRO C[C@@H](CCO)[NH2+]Cc1ccc(N(C)C2CCCCC2)cc1 ZINC000779340265 628408648 /nfs/dbraw/zinc/40/86/48/628408648.db2.gz ICOODSOHRKHJMC-HNNXBMFYSA-N 1 0 290.451 3.316 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](C)C3(CCC3)C2)c1 ZINC000779603835 628417922 /nfs/dbraw/zinc/41/79/22/628417922.db2.gz DZFQYCXIOSDFFG-CYBMUJFWSA-N 1 0 275.392 3.413 20 10 CGCDRO C[C@H](C[C@H](C)O)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000782977539 628670651 /nfs/dbraw/zinc/67/06/51/628670651.db2.gz HDSURHFTNRORCE-KGLIPLIRSA-N 1 0 285.387 3.308 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12)c1ccccc1O ZINC000783523287 628721639 /nfs/dbraw/zinc/72/16/39/628721639.db2.gz BFHKXBYYMDHGHH-MMMKDXCPSA-N 1 0 295.473 3.422 20 10 CGCDRO CN(C)c1ccc(C[N@H+](CC[C@@H]2CCOC2)C2CC2)cc1 ZINC000783527087 628721947 /nfs/dbraw/zinc/72/19/47/628721947.db2.gz LDOFRCOJWXICPI-MRXNPFEDSA-N 1 0 288.435 3.144 20 10 CGCDRO COC[C@H](C)C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000783524570 628722043 /nfs/dbraw/zinc/72/20/43/628722043.db2.gz VCMGMFKWKFLGAV-OAHLLOKOSA-N 1 0 278.440 3.246 20 10 CGCDRO c1cc2cc(C[NH2+]Cc3ccc4c(c3)CCO4)ccc2cn1 ZINC000785448695 628863453 /nfs/dbraw/zinc/86/34/53/628863453.db2.gz PQYPAPQDNCQTHP-UHFFFAOYSA-N 1 0 290.366 3.460 20 10 CGCDRO COc1ccc(C[NH2+]C(C)(C)C2CCOCC2)cc1C ZINC000785605158 628873282 /nfs/dbraw/zinc/87/32/82/628873282.db2.gz CWOHWUIQHNBIRQ-UHFFFAOYSA-N 1 0 277.408 3.298 20 10 CGCDRO CO[C@H](CC[NH2+][C@H](C)c1cc(C)ccc1O)C(F)(F)F ZINC000786954576 628972696 /nfs/dbraw/zinc/97/26/96/628972696.db2.gz STGWREKZJRJRNT-ZWNOBZJWSA-N 1 0 291.313 3.319 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2ccc(N(C)C)nc2)c(O)c1 ZINC000788521685 629062503 /nfs/dbraw/zinc/06/25/03/629062503.db2.gz WLCZYRDPUVUCQH-AWEZNQCLSA-N 1 0 299.418 3.321 20 10 CGCDRO CC[C@H](O)CCC[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000788661598 629070818 /nfs/dbraw/zinc/07/08/18/629070818.db2.gz BHEHSCFGJJVDCG-KBPBESRZSA-N 1 0 265.397 3.211 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCCOC(F)F)c(O)c1 ZINC000788814963 629083716 /nfs/dbraw/zinc/08/37/16/629083716.db2.gz BKUJLFHXMZZVPR-NSHDSACASA-N 1 0 273.323 3.289 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1ncnn1C)c1ccc2ccccc2c1O ZINC000788983243 629093992 /nfs/dbraw/zinc/09/39/92/629093992.db2.gz KYYZRRZIRLPASY-NEPJUHHUSA-N 1 0 296.374 3.086 20 10 CGCDRO CCOc1ccc(C[N@H+](C)Cc2ccc(C)cn2)c(O)c1 ZINC000789594890 629149583 /nfs/dbraw/zinc/14/95/83/629149583.db2.gz OUNDITSHJDAXAD-UHFFFAOYSA-N 1 0 286.375 3.126 20 10 CGCDRO CCOc1ccc(O)c(C[N@@H+]2CCO[C@H](C(C)(C)C)C2)c1 ZINC000790930550 629241238 /nfs/dbraw/zinc/24/12/38/629241238.db2.gz FAUJMCMQZOEBKL-INIZCTEOSA-N 1 0 293.407 3.038 20 10 CGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C(C)C)C(C)(C)O)cc1 ZINC000790996569 629248184 /nfs/dbraw/zinc/24/81/84/629248184.db2.gz VFTYLROWAZPWBB-KRWDZBQOSA-N 1 0 292.467 3.418 20 10 CGCDRO CN(C)c1cc(F)c(C[N@H+](C)C2CCC2)cc1F ZINC000862245940 629329341 /nfs/dbraw/zinc/32/93/41/629329341.db2.gz CHTUXJXZCRUOPR-UHFFFAOYSA-N 1 0 254.324 3.015 20 10 CGCDRO CO[C@@H]1CCC[N@H+](Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000862314940 629342309 /nfs/dbraw/zinc/34/23/09/629342309.db2.gz MZNVEVVKBJFMSL-CYBMUJFWSA-N 1 0 298.377 3.032 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)C2CC(F)(F)C2)c1 ZINC000862478617 629385090 /nfs/dbraw/zinc/38/50/90/629385090.db2.gz JZQCUBGWTQQJDZ-JTQLQIEISA-N 1 0 255.308 3.224 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CCC2(C)CC2)cc1F ZINC000793202192 629427648 /nfs/dbraw/zinc/42/76/48/629427648.db2.gz UOJMNCMMZNLHBJ-UHFFFAOYSA-N 1 0 250.361 3.172 20 10 CGCDRO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cc(F)ccc1O ZINC000793231036 629433176 /nfs/dbraw/zinc/43/31/76/629433176.db2.gz JMPKZKMJGYSETK-KCJUWKMLSA-N 1 0 277.261 3.304 20 10 CGCDRO CCOc1ccc(O)c(C[N@H+](C)Cc2cnccc2C)c1 ZINC000793339349 629445017 /nfs/dbraw/zinc/44/50/17/629445017.db2.gz IUPQOHDAFQBGNO-UHFFFAOYSA-N 1 0 286.375 3.126 20 10 CGCDRO CC[C@@H]([NH2+]CC1(O)CCCC1)c1ccc(C)cc1O ZINC000794806339 629580408 /nfs/dbraw/zinc/58/04/08/629580408.db2.gz HNHQBXPDAYJXHL-CQSZACIVSA-N 1 0 263.381 3.046 20 10 CGCDRO CC[C@H]([NH2+][C@H](CO)CC(F)(F)F)c1ccc(C)cc1O ZINC000794817126 629581420 /nfs/dbraw/zinc/58/14/20/629581420.db2.gz PJDPILZAEOKJAY-JQWIXIFHSA-N 1 0 291.313 3.055 20 10 CGCDRO CC[C@H]([NH2+]Cc1ncccc1F)c1ccc(C)cc1O ZINC000794819745 629582321 /nfs/dbraw/zinc/58/23/21/629582321.db2.gz XKKJIZTUXGVKTR-AWEZNQCLSA-N 1 0 274.339 3.476 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCN2CC=CCC2)cc1 ZINC000794835456 629585058 /nfs/dbraw/zinc/58/50/58/629585058.db2.gz QHMJPYYTRVYAKW-INIZCTEOSA-N 1 0 287.451 3.055 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](CO)CC2CCC2)c(O)c1C ZINC000794837179 629586348 /nfs/dbraw/zinc/58/63/48/629586348.db2.gz XBIIVAWKEADKRA-DZGCQCFKSA-N 1 0 277.408 3.211 20 10 CGCDRO COc1cccc(CCCN(C)c2ccc(N)cc2)c1 ZINC000863557013 629605503 /nfs/dbraw/zinc/60/55/03/629605503.db2.gz GPDPPBVJFPTGLX-UHFFFAOYSA-N 1 0 270.376 3.346 20 10 CGCDRO CC1=C(C)C[N@H+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000796021802 629736510 /nfs/dbraw/zinc/73/65/10/629736510.db2.gz WDRDIUFMMTZKQW-UHFFFAOYSA-N 1 0 286.419 3.065 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CC2(C(F)(F)F)CC2)cc1C ZINC000796488298 629789204 /nfs/dbraw/zinc/78/92/04/629789204.db2.gz FNVSYRNTQPXRFC-UHFFFAOYSA-N 1 0 273.298 3.441 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CSC[C@H]1C)c1cc(Cl)ccc1O ZINC000797066938 629881326 /nfs/dbraw/zinc/88/13/26/629881326.db2.gz VHXXMRMIOKVYGZ-VDDIYKPWSA-N 1 0 271.813 3.448 20 10 CGCDRO C[C@H]([NH2+][C@@H]1CC[C@@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000797133864 629893135 /nfs/dbraw/zinc/89/31/35/629893135.db2.gz QXKTYIKSDQYGSU-HEHGZKQESA-N 1 0 292.398 3.111 20 10 CGCDRO COc1ccc(O)c(C[NH2+]Cc2ccc(C)cc2F)c1 ZINC000865464570 630135950 /nfs/dbraw/zinc/13/59/50/630135950.db2.gz ZVBUZNKMMRXSOI-UHFFFAOYSA-N 1 0 275.323 3.138 20 10 CGCDRO CSCCC[N@H+](C)Cc1cc2c(cc1O)CCC2 ZINC000799162219 630151338 /nfs/dbraw/zinc/15/13/38/630151338.db2.gz OICBVMMSGAUCEM-UHFFFAOYSA-N 1 0 265.422 3.066 20 10 CGCDRO CC[C@@H]([NH2+][C@@H](CCO)Cc1ccccc1)c1ccccc1O ZINC000799730247 630226667 /nfs/dbraw/zinc/22/66/67/630226667.db2.gz CUTLVGKCNYOZSW-FUHWJXTLSA-N 1 0 299.414 3.427 20 10 CGCDRO CO[C@@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])[C@H](C)C1 ZINC000799738422 630228961 /nfs/dbraw/zinc/22/89/61/630228961.db2.gz YRACCIYSSKEGKT-BXKDBHETSA-N 1 0 287.762 3.184 20 10 CGCDRO CC(C)COCC[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000800334766 630266385 /nfs/dbraw/zinc/26/63/85/630266385.db2.gz GALPYYLONVIKIS-UHFFFAOYSA-N 1 0 290.451 3.390 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CCCN(C)C2)c1O ZINC000808679239 630294408 /nfs/dbraw/zinc/29/44/08/630294408.db2.gz IEUDJTQQHIZPKS-YPMHNXCESA-N 1 0 282.815 3.099 20 10 CGCDRO CCOc1ccc(C[NH2+][C@@H](C)c2cnc(C)s2)c(O)c1 ZINC000865701678 630396520 /nfs/dbraw/zinc/39/65/20/630396520.db2.gz OWCCREHDXGGYKX-JTQLQIEISA-N 1 0 292.404 3.407 20 10 CGCDRO CO[C@@H]1CC[N@H+](Cc2cc(C)cc(C)c2O)CC1(C)C ZINC000840123001 630604926 /nfs/dbraw/zinc/60/49/26/630604926.db2.gz GHAVZOYOYPLYMG-OAHLLOKOSA-N 1 0 277.408 3.256 20 10 CGCDRO CCOC1CC([N@H+](C)Cc2cc(C)cc(C)c2O)C1 ZINC000808212908 630630657 /nfs/dbraw/zinc/63/06/57/630630657.db2.gz ABPJCDUSRTYYKA-UHFFFAOYSA-N 1 0 263.381 3.008 20 10 CGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](CO)CC(C)C)c1O ZINC000808680022 630663645 /nfs/dbraw/zinc/66/36/45/630663645.db2.gz GXJZKJKPZKZXIZ-YPMHNXCESA-N 1 0 285.815 3.412 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)C[C@@H](C)O)c1O ZINC000808713758 630669619 /nfs/dbraw/zinc/66/96/19/630669619.db2.gz PIUDJMIHMHRTIT-AXFHLTTASA-N 1 0 271.788 3.164 20 10 CGCDRO Cc1cc(C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)n(C)n1 ZINC000808718151 630670601 /nfs/dbraw/zinc/67/06/01/630670601.db2.gz PRHQZYYWRXEOOS-NSHDSACASA-N 1 0 293.798 3.247 20 10 CGCDRO COc1cccc(C[NH2+]Cc2sccc2Cl)c1O ZINC000809740465 630793860 /nfs/dbraw/zinc/79/38/60/630793860.db2.gz ZQOJWUFXUUVBKI-UHFFFAOYSA-N 1 0 283.780 3.406 20 10 CGCDRO COCC1(C[NH2+]Cc2cc(C)ccc2O)CCCCC1 ZINC000810178683 630850722 /nfs/dbraw/zinc/85/07/22/630850722.db2.gz XZELSZRRBONXTN-UHFFFAOYSA-N 1 0 277.408 3.387 20 10 CGCDRO COCC1(C[NH2+]Cc2ccc3c(c2)CCO3)CCCCC1 ZINC000810178070 630851314 /nfs/dbraw/zinc/85/13/14/630851314.db2.gz MNEKDXYQMYDYPP-UHFFFAOYSA-N 1 0 289.419 3.308 20 10 CGCDRO CC[C@H]([NH2+]CCN(C)C)c1ccc(C(F)(F)F)cc1O ZINC000810239641 630857832 /nfs/dbraw/zinc/85/78/32/630857832.db2.gz FMEPEBCKAAQPBB-LBPRGKRZSA-N 1 0 290.329 3.013 20 10 CGCDRO COCC1(CC[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)CC1 ZINC000842891293 635506301 /nfs/dbraw/zinc/50/63/01/635506301.db2.gz SJPGQUOAQBTAMA-DGCLKSJQSA-N 1 0 293.382 3.486 20 10 CGCDRO Oc1ccccc1C[NH2+]Cc1ccnc(Cl)c1Cl ZINC000811477355 631071829 /nfs/dbraw/zinc/07/18/29/631071829.db2.gz OJFNDZOBQSGOKV-UHFFFAOYSA-N 1 0 283.158 3.384 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CC(C)(C)[C@H]2C2CC2)cc1 ZINC000811513233 631080990 /nfs/dbraw/zinc/08/09/90/631080990.db2.gz DWUBGSQZDOXGEN-MRXNPFEDSA-N 1 0 258.409 3.373 20 10 CGCDRO CC1(C2CC2)CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000811514949 631082234 /nfs/dbraw/zinc/08/22/34/631082234.db2.gz RZUAJSSNMCNOAT-UHFFFAOYSA-N 1 0 289.375 3.133 20 10 CGCDRO Cc1cc(Cl)cc(C[NH2+][C@@H](C2CC2)C(C)(C)CO)c1O ZINC000811519366 631083710 /nfs/dbraw/zinc/08/37/10/631083710.db2.gz VORWYPXZBMLYAB-HNNXBMFYSA-N 1 0 297.826 3.241 20 10 CGCDRO CC[N@H+](Cc1cc(C(C)(C)C)cc(O)c1O)[C@@H]1CCOC1 ZINC000812297303 631235981 /nfs/dbraw/zinc/23/59/81/631235981.db2.gz YZVWKPKRXWAOKC-CQSZACIVSA-N 1 0 293.407 3.006 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc3cnn(C)c3c2)c(O)c1 ZINC000812736757 631300198 /nfs/dbraw/zinc/30/01/98/631300198.db2.gz COGUJFBULSCBLZ-CYBMUJFWSA-N 1 0 295.386 3.438 20 10 CGCDRO Cc1cc(Cl)cc(C[NH+]2CC(C3CC3)C2)c1O ZINC000812776397 631307320 /nfs/dbraw/zinc/30/73/20/631307320.db2.gz UVXKIVWLUGJLTP-UHFFFAOYSA-N 1 0 251.757 3.196 20 10 CGCDRO COc1ccc(O)c(CNc2cc3c(c[nH+]2)CCCC3)c1 ZINC000812782307 631307895 /nfs/dbraw/zinc/30/78/95/631307895.db2.gz VZHGYCJQTTZDKZ-UHFFFAOYSA-N 1 0 284.359 3.287 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCc2sccc2C1 ZINC000876559306 634856415 /nfs/dbraw/zinc/85/64/15/634856415.db2.gz XOVXPIYGCJIJMZ-UHFFFAOYSA-N 1 0 259.374 3.320 20 10 CGCDRO CO[C@@H](C)C[N@H+](Cc1ccc(N(C)C)c(C)c1)C(C)C ZINC000815052795 631708061 /nfs/dbraw/zinc/70/80/61/631708061.db2.gz APVPVRUPQKFMAD-HNNXBMFYSA-N 1 0 278.440 3.306 20 10 CGCDRO Cc1cccc(C[N@@H+](C)Cc2ccc(N(C)C)c(C)c2)n1 ZINC000815071618 631711367 /nfs/dbraw/zinc/71/13/67/631711367.db2.gz NHBUAUXAHQKNIN-UHFFFAOYSA-N 1 0 283.419 3.396 20 10 CGCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@H](OC)C[C@@H]2C)cc1 ZINC000815107956 631719133 /nfs/dbraw/zinc/71/91/33/631719133.db2.gz PTIQVKBVZHPGNQ-YOEHRIQHSA-N 1 0 276.424 3.142 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@]2(C)CCOC2)c(O)c1 ZINC000815579715 631798826 /nfs/dbraw/zinc/79/88/26/631798826.db2.gz SPSBTFSGNQUORE-CJNGLKHVSA-N 1 0 263.381 3.086 20 10 CGCDRO CCC[C@@](C)(O)C[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000815579733 631799073 /nfs/dbraw/zinc/79/90/73/631799073.db2.gz TYNJFIXMHKAFQN-XJKSGUPXSA-N 1 0 265.397 3.211 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCN(C)[C@H](C)C2)c(O)c1 ZINC000815583741 631800484 /nfs/dbraw/zinc/80/04/84/631800484.db2.gz NIMXLNGWNRWWLK-QLFBSQMISA-N 1 0 276.424 3.142 20 10 CGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCN2CC[C@H](C)C2)c(O)c1 ZINC000815585706 631801495 /nfs/dbraw/zinc/80/14/95/631801495.db2.gz PUXCUOYLEDKGHS-WFASDCNBSA-N 1 0 276.424 3.001 20 10 CGCDRO C[C@@H]([NH2+]CC[C@H](C)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000815645502 631811928 /nfs/dbraw/zinc/81/19/28/631811928.db2.gz HUQJSZIYFJOORD-QWHCGFSZSA-N 1 0 298.377 3.061 20 10 CGCDRO C[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2O)C[C@H](C)O1 ZINC000816478007 631986833 /nfs/dbraw/zinc/98/68/33/631986833.db2.gz QXJDQYWLJOFJOP-BETUJISGSA-N 1 0 271.360 3.155 20 10 CGCDRO C[C@H]1C[C@H]([N@H+](C)Cc2ccc3ccccc3c2O)CCN1C ZINC000816514797 632000795 /nfs/dbraw/zinc/00/07/95/632000795.db2.gz HSENTTWRGDGLOQ-WMLDXEAASA-N 1 0 298.430 3.460 20 10 CGCDRO CCN1CCC([NH2+]Cc2ccc3ccccc3c2O)CC1 ZINC000816529302 632003788 /nfs/dbraw/zinc/00/37/88/632003788.db2.gz NWRUNZZLMPEQJF-UHFFFAOYSA-N 1 0 284.403 3.119 20 10 CGCDRO CC(C)C[C@@H](O)C[NH2+]Cc1ccc2ccccc2c1O ZINC000816543814 632007152 /nfs/dbraw/zinc/00/71/52/632007152.db2.gz OVKYZMLXZKMKKA-OAHLLOKOSA-N 1 0 273.376 3.042 20 10 CGCDRO CC[C@H](C)N(C)CC[NH2+]Cc1ccc2ccccc2c1O ZINC000816545902 632007396 /nfs/dbraw/zinc/00/73/96/632007396.db2.gz MVUQYOCBZOTPIW-AWEZNQCLSA-N 1 0 286.419 3.365 20 10 CGCDRO CCC(CC)[C@H](O)C[NH2+]Cc1ccc2ccccc2c1O ZINC000816551911 632008519 /nfs/dbraw/zinc/00/85/19/632008519.db2.gz UJCSUFBEKQZDMA-QGZVFWFLSA-N 1 0 287.403 3.432 20 10 CGCDRO Oc1c(C[NH2+]CC[C@H]2CCOC2)ccc2ccccc21 ZINC000816567962 632014184 /nfs/dbraw/zinc/01/41/84/632014184.db2.gz QJWXWNANBGDCDA-ZDUSSCGKSA-N 1 0 271.360 3.062 20 10 CGCDRO Oc1c(C[NH+]2CC([C@H]3CCOC3)C2)ccc2ccccc21 ZINC000816594760 632019605 /nfs/dbraw/zinc/01/96/05/632019605.db2.gz OLGDXKIXAPARQW-HNNXBMFYSA-N 1 0 283.371 3.014 20 10 CGCDRO Oc1c(C[NH+]2CC([C@@H]3CCOC3)C2)ccc2ccccc21 ZINC000816594761 632020071 /nfs/dbraw/zinc/02/00/71/632020071.db2.gz OLGDXKIXAPARQW-OAHLLOKOSA-N 1 0 283.371 3.014 20 10 CGCDRO COc1cccc(C[NH2+]Cc2cccc(O)c2Cl)c1O ZINC000816610271 632022373 /nfs/dbraw/zinc/02/23/73/632022373.db2.gz FBGHTCHJTKGIIU-UHFFFAOYSA-N 1 0 293.750 3.050 20 10 CGCDRO Cc1ccc(O)c(CN2CC[N@@H+](C)Cc3ccccc32)c1 ZINC000816618082 632024333 /nfs/dbraw/zinc/02/43/33/632024333.db2.gz OMSAIGOJPOSGHF-UHFFFAOYSA-N 1 0 282.387 3.153 20 10 CGCDRO CC[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(C)c2O)CCO1 ZINC000817415145 632145041 /nfs/dbraw/zinc/14/50/41/632145041.db2.gz PISCJGOPFVGLLW-UONOGXRCSA-N 1 0 283.799 3.401 20 10 CGCDRO COc1ccc(O)c(C[N@H+](C)C2CC(OC(C)(C)C)C2)c1 ZINC000817415902 632147120 /nfs/dbraw/zinc/14/71/20/632147120.db2.gz AFNSTMDCLMAEKV-UHFFFAOYSA-N 1 0 293.407 3.179 20 10 CGCDRO CC[C@H]([NH2+][C@H]1CCO[C@H](CC)C1)c1ccccc1O ZINC000817415780 632147145 /nfs/dbraw/zinc/14/71/45/632147145.db2.gz YSVBKUHHKAATMA-GUTXKFCHSA-N 1 0 263.381 3.391 20 10 CGCDRO CN(C)c1ccc(CN[C@@H]2C[C@H]([NH3+])c3ccccc32)cc1F ZINC000817900586 632231954 /nfs/dbraw/zinc/23/19/54/632231954.db2.gz OCRMDSFQMSMUDW-DLBZAZTESA-N 1 0 299.393 3.126 20 10 CGCDRO CC[C@@H]([NH2+]CCC[NH2+]C)c1cc(Cl)cc(Cl)c1[O-] ZINC000817939223 632239758 /nfs/dbraw/zinc/23/97/58/632239758.db2.gz APZULOFUNZXOCG-GFCCVEGCSA-N 1 0 291.222 3.349 20 10 CGCDRO CCC(C)(C)[C@H](C)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000817944076 632242369 /nfs/dbraw/zinc/24/23/69/632242369.db2.gz XFNPENDPIQQHAR-XJKSGUPXSA-N 1 0 277.456 3.167 20 10 CGCDRO CC[C@H](NC[C@@H]1CCCC[NH2+]1)c1cc(Cl)ccc1O ZINC000817949317 632245714 /nfs/dbraw/zinc/24/57/14/632245714.db2.gz INBJMYDBMZNZIH-JSGCOSHPSA-N 1 0 282.815 3.228 20 10 CGCDRO CC[C@@H](Cc1cccs1)[NH2+]CCc1ccc(N)cc1 ZINC000817956230 632251099 /nfs/dbraw/zinc/25/10/99/632251099.db2.gz UMAXUPNHDOFKLL-HNNXBMFYSA-N 1 0 274.433 3.484 20 10 CGCDRO COc1ccc(C)cc1[C@H](C)[NH2+]CCc1ccc(N)cc1 ZINC000817956350 632251229 /nfs/dbraw/zinc/25/12/29/632251229.db2.gz XAUNIEDFSMOZFH-AWEZNQCLSA-N 1 0 284.403 3.479 20 10 CGCDRO C[C@H]([NH2+]CCc1ccc(N)cc1)c1cccc(F)c1 ZINC000817956197 632251368 /nfs/dbraw/zinc/25/13/68/632251368.db2.gz SXJJHFHAILXDKL-LBPRGKRZSA-N 1 0 258.340 3.301 20 10 CGCDRO Cc1cccc([C@H](C)[NH2+]CCc2ccc(N)cc2)c1 ZINC000817956074 632251371 /nfs/dbraw/zinc/25/13/71/632251371.db2.gz PWRIAGGFPOWSIZ-AWEZNQCLSA-N 1 0 254.377 3.471 20 10 CGCDRO C[C@@H](CCCc1cccnc1)[NH2+]CCc1ccc(N)cc1 ZINC000817957852 632253630 /nfs/dbraw/zinc/25/36/30/632253630.db2.gz PWZJVNITVJQWDS-HNNXBMFYSA-N 1 0 283.419 3.207 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](CN)C2CCCCC2)c(O)c1 ZINC000817960020 632256398 /nfs/dbraw/zinc/25/63/98/632256398.db2.gz WOPJBONIIOAMSI-BBRMVZONSA-N 1 0 276.424 3.259 20 10 CGCDRO C[C@H]([NH2+][C@@H](CN)C1CC1)c1ccc(N2CCCCC2)cc1 ZINC000817960595 632256500 /nfs/dbraw/zinc/25/65/00/632256500.db2.gz OAPNFNNBXFGDMZ-KSSFIOAISA-N 1 0 287.451 3.065 20 10 CGCDRO CC[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ccc(F)cc1[O-] ZINC000817975407 632267371 /nfs/dbraw/zinc/26/73/71/632267371.db2.gz NDLWHWVGWLRCIM-XJKCOSOUSA-N 1 0 294.414 3.337 20 10 CGCDRO Cc1cc(Cl)cc([C@H](C)N[C@@H]2CCCC[NH2+]C2)c1O ZINC000817984076 632273190 /nfs/dbraw/zinc/27/31/90/632273190.db2.gz MNVKJJSLCFYJSR-WCQYABFASA-N 1 0 282.815 3.147 20 10 CGCDRO CC(C)n1cncc1C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000818202318 632297396 /nfs/dbraw/zinc/29/73/96/632297396.db2.gz BJTPSCNKEJKTTQ-AWEZNQCLSA-N 1 0 286.423 3.381 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)c(Cl)c1 ZINC000818237913 632301445 /nfs/dbraw/zinc/30/14/45/632301445.db2.gz DBTVXTVRZARMIS-JGPRNRPPSA-N 1 0 251.757 3.242 20 10 CGCDRO CCC[C@@H](C)[NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818345563 632311687 /nfs/dbraw/zinc/31/16/87/632311687.db2.gz WNEAIBIOAAJQKO-CABCVRRESA-N 1 0 276.424 3.300 20 10 CGCDRO C[C@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1cc(Cl)ccc1O ZINC000818360210 632315195 /nfs/dbraw/zinc/31/51/95/632315195.db2.gz OGLDQTBXPLJZPT-GUDRVLHUSA-N 1 0 251.757 3.495 20 10 CGCDRO CC[C@@H](O)C[NH2+]Cc1ccc(N(C)C2CCCCC2)cc1 ZINC000818980198 632359202 /nfs/dbraw/zinc/35/92/02/632359202.db2.gz HCEVTDNAUQOMRH-GOSISDBHSA-N 1 0 290.451 3.316 20 10 CGCDRO Oc1ccc(Cl)cc1C[NH2+]C[C@@H]1CCC12CCOCC2 ZINC000865779596 632888196 /nfs/dbraw/zinc/88/81/96/632888196.db2.gz YSYQMPPBFGCOGT-ZDUSSCGKSA-N 1 0 295.810 3.342 20 10 CGCDRO Cc1cc(Br)cc(C[NH2+][C@H]2CC23CC3)c1O ZINC000822498031 632948959 /nfs/dbraw/zinc/94/89/59/632948959.db2.gz UKGKPQMUEKOWQM-NSHDSACASA-N 1 0 282.181 3.105 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1C[C@H](C)O[C@H]1C)c1ccc(C)cc1O ZINC000866446317 633135797 /nfs/dbraw/zinc/13/57/97/633135797.db2.gz FKWZHNBSZBEXFR-NZBPQXDJSA-N 1 0 263.381 3.307 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1O)[C@@H](O)C(F)(F)F ZINC000866462963 633145290 /nfs/dbraw/zinc/14/52/90/633145290.db2.gz FGKMRBWDPDVUAI-MVKOHCKWSA-N 1 0 297.704 3.008 20 10 CGCDRO CC[C@H]([NH2+][C@@H](C)[C@H](O)C(F)(F)F)c1ccc(C)cc1O ZINC000866464576 633145778 /nfs/dbraw/zinc/14/57/78/633145778.db2.gz XAJNIWMSDGJPHS-GAFUQQFSSA-N 1 0 291.313 3.053 20 10 CGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccnc(F)c2)c2c1c(F)ccc2O ZINC000866473432 633148030 /nfs/dbraw/zinc/14/80/30/633148030.db2.gz NKLKWMQIIUSVBW-BXKDBHETSA-N 1 0 290.313 3.404 20 10 CGCDRO CC[C@H](C[C@@H](C)O)[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000866634532 633223061 /nfs/dbraw/zinc/22/30/61/633223061.db2.gz SBZNMKJEJJQOLO-MGPQQGTHSA-N 1 0 265.397 3.209 20 10 CGCDRO CCOc1cccc(C[NH2+]CCCC2CCOCC2)c1O ZINC000824477304 633249638 /nfs/dbraw/zinc/24/96/38/633249638.db2.gz PIIRFZCOZUXXGO-UHFFFAOYSA-N 1 0 293.407 3.087 20 10 CGCDRO Cn1ncc(C2CCC2)c1C[N@H+](C)Cc1ccccc1O ZINC000824594119 633262129 /nfs/dbraw/zinc/26/21/29/633262129.db2.gz ZNJMGNNKZLVSML-UHFFFAOYSA-N 1 0 285.391 3.025 20 10 CGCDRO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000824715174 633278391 /nfs/dbraw/zinc/27/83/91/633278391.db2.gz IVVXRCYNAWYIEH-SQWLQELKSA-N 1 0 295.810 3.171 20 10 CGCDRO C[C@]1(C[NH2+]Cc2ccc3c(c2)CCO3)CC1(Cl)Cl ZINC000824765094 633285567 /nfs/dbraw/zinc/28/55/67/633285567.db2.gz GVTOGCNNYHVFKS-CYBMUJFWSA-N 1 0 286.202 3.295 20 10 CGCDRO CO[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000824903323 633303753 /nfs/dbraw/zinc/30/37/53/633303753.db2.gz FBYCTUUHVNWWPJ-CHWSQXEVSA-N 1 0 269.772 3.011 20 10 CGCDRO C[C@H]([NH2+]C1CC=CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000122123693 633319012 /nfs/dbraw/zinc/31/90/12/633319012.db2.gz HKKXDSIRZZIFBW-ZDUSSCGKSA-N 1 0 290.382 3.032 20 10 CGCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000825215257 633335789 /nfs/dbraw/zinc/33/57/89/633335789.db2.gz JFVGHCVBELQWSU-INIZCTEOSA-N 1 0 293.432 3.120 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C(C)(C)c2cnn(C)c2)cc1Cl ZINC000825291364 633342171 /nfs/dbraw/zinc/34/21/71/633342171.db2.gz KBARNIVCDCYCBL-UHFFFAOYSA-N 1 0 293.798 3.112 20 10 CGCDRO CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000825299182 633343524 /nfs/dbraw/zinc/34/35/24/633343524.db2.gz FCGLLCHLVFFSCW-XGWLTEMNSA-N 1 0 293.407 3.399 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCO[C@@H](C)C2)cc1Cl ZINC000825380274 633350947 /nfs/dbraw/zinc/35/09/47/633350947.db2.gz ZRROKCWPSWAINR-JQWIXIFHSA-N 1 0 269.772 3.011 20 10 CGCDRO COC1(C)CC[NH+](Cc2cc(Cl)c(C)cc2O)CC1 ZINC000825450480 633355205 /nfs/dbraw/zinc/35/52/05/633355205.db2.gz HIJATSXBPKNKGY-UHFFFAOYSA-N 1 0 283.799 3.355 20 10 CGCDRO CCCC[N@H+](Cc1cnc2n1CCC2)Cc1ccccc1O ZINC000825788297 633382079 /nfs/dbraw/zinc/38/20/79/633382079.db2.gz DKBIFNKYJGEAGF-UHFFFAOYSA-N 1 0 299.418 3.337 20 10 CGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2C[C@@H](C)O[C@H]2C)cc1Cl ZINC000826122086 633406859 /nfs/dbraw/zinc/40/68/59/633406859.db2.gz XNRLGEIWZIGORI-WOPDTQHZSA-N 1 0 283.799 3.257 20 10 CGCDRO COCCCC[N@H+](C)Cc1cc(Cl)c(C)cc1O ZINC000826130064 633407133 /nfs/dbraw/zinc/40/71/33/633407133.db2.gz DNOMVMCFGHOKJE-UHFFFAOYSA-N 1 0 271.788 3.212 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H]1CCN1C(C)(C)C ZINC000826791001 633433452 /nfs/dbraw/zinc/43/34/52/633433452.db2.gz PZEVQDYSONWMDQ-QGZVFWFLSA-N 1 0 289.467 3.023 20 10 CGCDRO CCC(O)(CC)C(C)(C)C[NH2+]Cc1cc(F)ccc1O ZINC000826901927 633442085 /nfs/dbraw/zinc/44/20/85/633442085.db2.gz DWARTOFKRIHNMQ-UHFFFAOYSA-N 1 0 283.387 3.198 20 10 CGCDRO Cc1cccc(C[NH2+]CC[C@]2(C)CC2(F)F)c1O ZINC000827250936 633475075 /nfs/dbraw/zinc/47/50/75/633475075.db2.gz CJUWVVUTTCIXGL-CYBMUJFWSA-N 1 0 255.308 3.226 20 10 CGCDRO C[C@]12COC[C@H]1C[N@H+](Cc1ccc3ccccc3c1O)C2 ZINC000827284949 633477918 /nfs/dbraw/zinc/47/79/18/633477918.db2.gz WZDFZJHZOVXGCH-QAPCUYQASA-N 1 0 283.371 3.014 20 10 CGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H]3COC[C@@]3(C)C2)cc1 ZINC000827281019 633478614 /nfs/dbraw/zinc/47/86/14/633478614.db2.gz HVOOUMKCEGOQKM-FUHWJXTLSA-N 1 0 288.435 3.001 20 10 CGCDRO CCC[N@H+](C)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000827583257 633500975 /nfs/dbraw/zinc/50/09/75/633500975.db2.gz GDLOYJLYYHDIJN-UHFFFAOYSA-N 1 0 276.424 3.144 20 10 CGCDRO C[N@H+](CC1=CCSC1)Cc1cc(Cl)c(F)cc1[O-] ZINC000827812653 633520676 /nfs/dbraw/zinc/52/06/76/633520676.db2.gz SZUHYDFGKUZJQR-UHFFFAOYSA-N 1 0 287.787 3.290 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cc(O)ccc1F ZINC000872017497 633938557 /nfs/dbraw/zinc/93/85/57/633938557.db2.gz ATRVSCXLXNXWPB-LBPRGKRZSA-N 1 0 288.366 3.448 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]CCC[C@H]2CCOC2=O)c(O)c1C ZINC000872111165 634035964 /nfs/dbraw/zinc/03/59/64/634035964.db2.gz AFRPQYJDTALJDQ-KGLIPLIRSA-N 1 0 291.391 3.003 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2nccnc2C)c1 ZINC000872133660 634055864 /nfs/dbraw/zinc/05/58/64/634055864.db2.gz OFLFDUCZGPTTCJ-DGCLKSJQSA-N 1 0 271.364 3.211 20 10 CGCDRO Cn1nccc1C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000124086471 634145883 /nfs/dbraw/zinc/14/58/83/634145883.db2.gz BIUMOPFLJFKCAR-UHFFFAOYSA-N 1 0 285.391 3.071 20 10 CGCDRO CC1(C)[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)[C@H]2CCCO[C@H]21 ZINC000834602131 634196099 /nfs/dbraw/zinc/19/60/99/634196099.db2.gz KMIJTJCWZODMSI-BQGCOEIASA-N 1 0 287.403 3.173 20 10 CGCDRO CC[C@@H]([NH2+][C@H]1CCc2cccc(O)c21)C1CCOCC1 ZINC000834613080 634198122 /nfs/dbraw/zinc/19/81/22/634198122.db2.gz YSCSEDFMPZPHJM-CABCVRRESA-N 1 0 275.392 3.174 20 10 CGCDRO C[C@@H](C[NH2+][C@@H]1CCc2cccc(O)c21)Oc1ccccc1 ZINC000834649905 634208001 /nfs/dbraw/zinc/20/80/01/634208001.db2.gz BMJHJBIGAIOJPP-XJKSGUPXSA-N 1 0 283.371 3.437 20 10 CGCDRO CCCOc1ccc(C[NH2+]CCCn2ccnc2)cc1C ZINC000873007270 634230364 /nfs/dbraw/zinc/23/03/64/634230364.db2.gz ZMMFPCPWMZDZJU-UHFFFAOYSA-N 1 0 287.407 3.160 20 10 CGCDRO CC(C)[C@@H](C[NH2+][C@@H]1CCc2cccc(O)c21)c1ccnn1C ZINC000834778189 634240636 /nfs/dbraw/zinc/24/06/36/634240636.db2.gz AFHNMDVMSFYZHW-HUUCEWRRSA-N 1 0 299.418 3.142 20 10 CGCDRO Cn1ncc2ccc(C[NH2+][C@H]3CCc4cccc(O)c43)cc21 ZINC000834806693 634244826 /nfs/dbraw/zinc/24/48/26/634244826.db2.gz INOKNYLQCCQRFB-HNNXBMFYSA-N 1 0 293.370 3.056 20 10 CGCDRO CCCOc1ccc(C[NH2+][C@@H](C)CCCCO)cc1C ZINC000873131808 634252861 /nfs/dbraw/zinc/25/28/61/634252861.db2.gz WESNMPMBZKDTND-HNNXBMFYSA-N 1 0 279.424 3.425 20 10 CGCDRO CC[C@H]([NH2+]CC1=CCOCC1)c1cc(Cl)ccc1O ZINC000834859813 634257871 /nfs/dbraw/zinc/25/78/71/634257871.db2.gz JOXIVHDLWUAZKT-AWEZNQCLSA-N 1 0 281.783 3.433 20 10 CGCDRO CC[C@@H]([NH2+]CC1=CCOCC1)c1ccc(N(C)C)cc1 ZINC000834860447 634258924 /nfs/dbraw/zinc/25/89/24/634258924.db2.gz RMQMXQKYACORDY-QGZVFWFLSA-N 1 0 274.408 3.140 20 10 CGCDRO Oc1cccc2c1[C@H]([NH2+]C[C@@H]1CCOC3(CCC3)C1)CC2 ZINC000834881797 634264753 /nfs/dbraw/zinc/26/47/53/634264753.db2.gz BGNVETDPCDFKKY-UKRRQHHQSA-N 1 0 287.403 3.318 20 10 CGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]2OC)cc1 ZINC000834885537 634266735 /nfs/dbraw/zinc/26/67/35/634266735.db2.gz ALPAQFRHYDWECT-IAOVAPTHSA-N 1 0 276.424 3.361 20 10 CGCDRO C[C@H](Cc1cnn(C)c1)[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000834895641 634271903 /nfs/dbraw/zinc/27/19/03/634271903.db2.gz CLNORQDDHRUORB-GHMZBOCLSA-N 1 0 293.798 3.061 20 10 CGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCc2cnc(C)cn2)cc1 ZINC000834908146 634283524 /nfs/dbraw/zinc/28/35/24/634283524.db2.gz HFSFEGFGCSQPAV-OAHLLOKOSA-N 1 0 298.434 3.134 20 10 CGCDRO CCO[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1cc(C)ccc1O ZINC000834911221 634285541 /nfs/dbraw/zinc/28/55/41/634285541.db2.gz IJLPEGIEOIEPDG-XNRPHZJLSA-N 1 0 263.381 3.309 20 10 CGCDRO Cc1ccc(C[C@H](CO)[NH2+][C@H](C)c2ccccc2O)cc1C ZINC000834913505 634285601 /nfs/dbraw/zinc/28/56/01/634285601.db2.gz HOCJDXOCITZFEE-NVXWUHKLSA-N 1 0 299.414 3.263 20 10 CGCDRO C[C@@H]1CC[C@H](C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)O1 ZINC000834915968 634286078 /nfs/dbraw/zinc/28/60/78/634286078.db2.gz VVHMMFXQZQWTNC-PRULPYPASA-N 1 0 279.355 3.237 20 10 CGCDRO C[N@H+](CCCCCC[NH3+])Cc1cc(Cl)cc(F)c1[O-] ZINC000873231899 634294565 /nfs/dbraw/zinc/29/45/65/634294565.db2.gz YDCRDDTXNYKWGC-UHFFFAOYSA-N 1 0 288.794 3.136 20 10 CGCDRO CC[C@H]([NH2+]C[C@H]1Cc2ccccc2CN1)c1ccccc1O ZINC000873294999 634323796 /nfs/dbraw/zinc/32/37/96/634323796.db2.gz XFEJHBHQFMJTCU-AEFFLSMTSA-N 1 0 296.414 3.147 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+]CCc2ccccc2O)cc1 ZINC000835035831 634326941 /nfs/dbraw/zinc/32/69/41/634326941.db2.gz IJSRVORGGGSFFR-AATRIKPKSA-N 1 0 296.414 3.304 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+]Cc2ccccc2CO)cc1 ZINC000835037011 634328577 /nfs/dbraw/zinc/32/85/77/634328577.db2.gz TZSRXCBKMZKATF-WAYWQWQTSA-N 1 0 296.414 3.048 20 10 CGCDRO CCN(CC)C[C@H](C)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835038506 634328618 /nfs/dbraw/zinc/32/86/18/634328618.db2.gz SZIHWVBKTJAPLP-QWGSZXSUSA-N 1 0 289.467 3.086 20 10 CGCDRO COC[C@@H]([NH2+]C/C=C\c1ccc(N(C)C)cc1)C(C)C ZINC000835039751 634329831 /nfs/dbraw/zinc/32/98/31/634329831.db2.gz KYMDTVDYWFLORF-JTGQJZMRSA-N 1 0 276.424 3.026 20 10 CGCDRO C[C@@H](Cc1ccncc1)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835043364 634330558 /nfs/dbraw/zinc/33/05/58/634330558.db2.gz PWAIOIOTRQLAPR-AWFCHZOYSA-N 1 0 295.430 3.382 20 10 CGCDRO C[C@H]([NH2+]C/C=C\c1ccc(N(C)C)cc1)c1cc[nH]c(=O)c1 ZINC000835051840 634337312 /nfs/dbraw/zinc/33/73/12/634337312.db2.gz AAVBMAUAAOAFRU-WSNITJDQSA-N 1 0 297.402 3.217 20 10 CGCDRO CCCc1ncc(C[NH2+]C/C=C/c2ccc(N(C)C)cc2)o1 ZINC000835054304 634337912 /nfs/dbraw/zinc/33/79/12/634337912.db2.gz JGCMNFGAFCNXCP-FNORWQNLSA-N 1 0 299.418 3.496 20 10 CGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@@](C)(O)CC2)cc1 ZINC000835055135 634339710 /nfs/dbraw/zinc/33/97/10/634339710.db2.gz VDQJXPCYMMNGHU-WLPBJKJWSA-N 1 0 288.435 3.003 20 10 CGCDRO CCOc1ccc(O)c(C[NH2+]CCOCC2CCCC2)c1 ZINC000835059183 634340996 /nfs/dbraw/zinc/34/09/96/634340996.db2.gz OJYWCGKDCAZULN-UHFFFAOYSA-N 1 0 293.407 3.087 20 10 CGCDRO Cc1ccc(C[N@H+](C)Cc2ccccc2O)c(O)c1 ZINC000876615291 634868807 /nfs/dbraw/zinc/86/88/07/634868807.db2.gz AGQGKHZMEVGROQ-UHFFFAOYSA-N 1 0 257.333 3.038 20 10 CGCDRO CC[N@H+](Cc1ccccn1)Cc1ccc(C)cc1O ZINC000876725982 634886527 /nfs/dbraw/zinc/88/65/27/634886527.db2.gz SBLXLKJKEYNHNT-UHFFFAOYSA-N 1 0 256.349 3.118 20 10 CGCDRO CC[N@H+](CCc1nccs1)Cc1ccc(C)cc1O ZINC000876776606 634898527 /nfs/dbraw/zinc/89/85/27/634898527.db2.gz FVBTXHFHJAFALG-UHFFFAOYSA-N 1 0 276.405 3.222 20 10 CGCDRO COCc1cccc(C[NH2+]Cc2c(C)cccc2O)c1 ZINC000876933821 634931350 /nfs/dbraw/zinc/93/13/50/634931350.db2.gz AAISNJYRQNGYEX-UHFFFAOYSA-N 1 0 271.360 3.137 20 10 CGCDRO Cc1ccc(C[NH2+]CCCc2nc3ccccc3[nH]2)c(O)c1 ZINC000876985997 634943537 /nfs/dbraw/zinc/94/35/37/634943537.db2.gz WHUJMJQTXNENKI-UHFFFAOYSA-N 1 0 295.386 3.299 20 10 CGCDRO COC[C@H]([NH2+]Cc1ccc(C)cc1O)c1ccccc1 ZINC000877032695 634956868 /nfs/dbraw/zinc/95/68/68/634956868.db2.gz OXZUEARYAZVWGF-INIZCTEOSA-N 1 0 271.360 3.178 20 10 CGCDRO Cc1ccc(C[NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)c(O)c1 ZINC000877123092 634991423 /nfs/dbraw/zinc/99/14/23/634991423.db2.gz GKBOBLWPHDEBJZ-HOCLYGCPSA-N 1 0 277.408 3.384 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H](C)C[C@H](O)c2ccccc2)c(O)c1 ZINC000877127291 634992556 /nfs/dbraw/zinc/99/25/56/634992556.db2.gz DBPVBSMNUZTGLK-KSSFIOAISA-N 1 0 285.387 3.302 20 10 CGCDRO Cc1cccc(O)c1C[NH2+][C@@H](C)C[C@H](O)c1ccccc1 ZINC000877128027 634993385 /nfs/dbraw/zinc/99/33/85/634993385.db2.gz POKNAABLAHSTRY-KSSFIOAISA-N 1 0 285.387 3.302 20 10 CGCDRO Cc1cccc(O)c1C[NH2+][C@@H](C)C[C@@H](O)c1cccs1 ZINC000877130547 634995440 /nfs/dbraw/zinc/99/54/40/634995440.db2.gz RSTJVUTUZBNMDQ-SWLSCSKDSA-N 1 0 291.416 3.364 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H](C)c2cncc(F)c2)c(O)c1 ZINC000877192998 635010432 /nfs/dbraw/zinc/01/04/32/635010432.db2.gz VXOBHPWXTCRCCS-NSHDSACASA-N 1 0 260.312 3.086 20 10 CGCDRO Cc1cccc(O)c1C[NH2+]C[C@@H]1CCCCS1 ZINC000877303307 635021002 /nfs/dbraw/zinc/02/10/02/635021002.db2.gz DCDUOTDVVXWEMA-LBPRGKRZSA-N 1 0 251.395 3.076 20 10 CGCDRO Cc1csc([C@@H](C)C[NH2+]Cc2ccc(C)cc2O)n1 ZINC000877332877 635027628 /nfs/dbraw/zinc/02/76/28/635027628.db2.gz KBQKITRTCLBVDY-NSHDSACASA-N 1 0 276.405 3.359 20 10 CGCDRO CCCN(Cc1cnc(OC)s1)c1ccc(C[NH3+])cc1 ZINC000877477541 635050917 /nfs/dbraw/zinc/05/09/17/635050917.db2.gz DLPBCOMGSKSWDL-UHFFFAOYSA-N 1 0 291.420 3.027 20 10 CGCDRO COCC[C@@H](C)C[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000840834929 635061080 /nfs/dbraw/zinc/06/10/80/635061080.db2.gz CBXWCCVEHJPEST-OLZOCXBDSA-N 1 0 251.370 3.024 20 10 CGCDRO CCc1ccc([C@H](O)C[NH2+]Cc2ccc(C)cc2O)cc1 ZINC000877513988 635065536 /nfs/dbraw/zinc/06/55/36/635065536.db2.gz FUKGQWCKJHDPCH-GOSISDBHSA-N 1 0 285.387 3.086 20 10 CGCDRO CO[C@@H](C[NH2+]Cc1c(O)cc(C)cc1Cl)C(F)(F)F ZINC000840899075 635077253 /nfs/dbraw/zinc/07/72/53/635077253.db2.gz NIJFXFFXZCTAPP-NSHDSACASA-N 1 0 297.704 3.021 20 10 CGCDRO Cc1ncsc1C[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840892289 635077319 /nfs/dbraw/zinc/07/73/19/635077319.db2.gz PRZHBPZBGVWPGY-UHFFFAOYSA-N 1 0 282.796 3.409 20 10 CGCDRO Cc1noc(C)c1CC[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840895724 635077841 /nfs/dbraw/zinc/07/78/41/635077841.db2.gz UEKNFKRBRMPEGJ-UHFFFAOYSA-N 1 0 294.782 3.291 20 10 CGCDRO CCOC[C@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000840915121 635081440 /nfs/dbraw/zinc/08/14/40/635081440.db2.gz KLAWVKAERLKUPW-INIZCTEOSA-N 1 0 290.451 3.310 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)Cc1ccco1 ZINC000840929910 635083619 /nfs/dbraw/zinc/08/36/19/635083619.db2.gz ZAMOGLUGAGGDJH-CQSZACIVSA-N 1 0 272.392 3.375 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCc1cccs1 ZINC000840928430 635083690 /nfs/dbraw/zinc/08/36/90/635083690.db2.gz SSQXIDDKNWBYQO-UHFFFAOYSA-N 1 0 274.433 3.455 20 10 CGCDRO CC[C@H](C[NH2+]Cc1ccc(N(C)C)cc1C)N1CCCC1 ZINC000840929680 635084074 /nfs/dbraw/zinc/08/40/74/635084074.db2.gz VAQSHHDZOHQWGP-QGZVFWFLSA-N 1 0 289.467 3.025 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCCc1nccs1 ZINC000840935712 635085191 /nfs/dbraw/zinc/08/51/91/635085191.db2.gz BBODYDXNZKHASI-UHFFFAOYSA-N 1 0 289.448 3.240 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@]3(CCOC3)C2)c(Cl)c1 ZINC000840949813 635091290 /nfs/dbraw/zinc/09/12/90/635091290.db2.gz CHEYBTCRIWKQOQ-MRXNPFEDSA-N 1 0 295.810 3.357 20 10 CGCDRO Cc1ccc(C[N@@H+]2CCC[C@@]3(CCSC3)C2)c(O)c1 ZINC000877575192 635099334 /nfs/dbraw/zinc/09/93/34/635099334.db2.gz JZOIFHPOXUDROO-MRXNPFEDSA-N 1 0 277.433 3.420 20 10 CGCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000877603023 635107483 /nfs/dbraw/zinc/10/74/83/635107483.db2.gz CANUCXPBLFKODE-GOEBONIOSA-N 1 0 275.392 3.092 20 10 CGCDRO COc1cccc(CNc2ccc([C@@H](C)[NH3+])cc2)c1O ZINC000841028081 635108010 /nfs/dbraw/zinc/10/80/10/635108010.db2.gz LGLYJKGASDCJPI-LLVKDONJSA-N 1 0 272.348 3.033 20 10 CGCDRO CC(C)Oc1ccc(N(C)C[C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000841024619 635108460 /nfs/dbraw/zinc/10/84/60/635108460.db2.gz WILQNAOVWVBRJS-HUUCEWRRSA-N 1 0 276.424 3.298 20 10 CGCDRO CN(C)c1ccc(CN2CC[NH2+]Cc3ccccc32)cc1F ZINC000841036107 635111275 /nfs/dbraw/zinc/11/12/75/635111275.db2.gz OLSMUXWPZZLAQU-UHFFFAOYSA-N 1 0 299.393 3.002 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](CN)C2CCCCC2)cc1C ZINC000841039666 635112261 /nfs/dbraw/zinc/11/22/61/635112261.db2.gz YMCAHHVBHBNGGE-INIZCTEOSA-N 1 0 276.424 3.001 20 10 CGCDRO CN(C)c1ccc(/C=C\C[NH2+]CCc2ccc(N)cc2)cc1 ZINC000841038830 635112298 /nfs/dbraw/zinc/11/22/98/635112298.db2.gz RFCYUETYXKVOQZ-ARJAWSKDSA-N 1 0 295.430 3.180 20 10 CGCDRO C[C@@H]1CCC[C@@H](C[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)C1 ZINC000841044507 635113217 /nfs/dbraw/zinc/11/32/17/635113217.db2.gz ZDNXPMUUOHOXEH-IIDMSEBBSA-N 1 0 289.467 3.168 20 10 CGCDRO C[C@@H]1CC[C@H]([NH2+]C[C@H](N)c2ccc(N(C)C)cc2)C[C@H]1C ZINC000841045561 635114581 /nfs/dbraw/zinc/11/45/81/635114581.db2.gz MVHAHHOHQXSAAC-DEICHXMPSA-N 1 0 289.467 3.167 20 10 CGCDRO C[C@@H]1CCCC[C@H]1C[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000841046304 635114598 /nfs/dbraw/zinc/11/45/98/635114598.db2.gz ZPFRVBVTVQGTFT-HFTRVMKXSA-N 1 0 289.467 3.168 20 10 CGCDRO CC1(C)C[C@@H]([NH2+]Cc2ccccc2O)c2cc(N)ccc2O1 ZINC000841083164 635118607 /nfs/dbraw/zinc/11/86/07/635118607.db2.gz PCGSTBNPXFDPTO-OAHLLOKOSA-N 1 0 298.386 3.366 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc3ccccc3c2O)[C@H](C)O1 ZINC000877683123 635145197 /nfs/dbraw/zinc/14/51/97/635145197.db2.gz SSZIINAAFJMNSC-WQGACYEGSA-N 1 0 271.360 3.201 20 10 CGCDRO COc1cc(O)c(C[NH2+][C@@H](C)CC2CCC2)cc1OC ZINC000877700208 635151378 /nfs/dbraw/zinc/15/13/78/635151378.db2.gz IOMDXYPCLBQVMC-NSHDSACASA-N 1 0 279.380 3.078 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@H]2c3ccccc3CN2C)c1O ZINC000877732383 635166986 /nfs/dbraw/zinc/16/69/86/635166986.db2.gz DNKWFHYDGVNCBA-SFHVURJKSA-N 1 0 296.414 3.231 20 10 CGCDRO CC(C)N(C)c1ccc(C[NH2+][C@H](C)c2ccccc2O)cn1 ZINC000877755918 635184082 /nfs/dbraw/zinc/18/40/82/635184082.db2.gz SONMLZZAMJTYSM-CQSZACIVSA-N 1 0 299.418 3.483 20 10 CGCDRO C[C@@H]([NH2+]Cc1cnc(C(C)(C)C)nc1)c1ccccc1O ZINC000877755427 635184612 /nfs/dbraw/zinc/18/46/12/635184612.db2.gz AWWUHYNEQFTAMR-GFCCVEGCSA-N 1 0 285.391 3.331 20 10 CGCDRO CCc1ncc(C[NH2+][C@H](C)c2ccccc2O)s1 ZINC000877756622 635185447 /nfs/dbraw/zinc/18/54/47/635185447.db2.gz ZDVLLEBVPYFRND-SNVBAGLBSA-N 1 0 262.378 3.262 20 10 CGCDRO CC(C)[C@@H]1C[C@H]([NH2+][C@H](C)c2ccccc2O)CCO1 ZINC000877756277 635185895 /nfs/dbraw/zinc/18/58/95/635185895.db2.gz DXGAKDMWEHAPSF-IOASZLSFSA-N 1 0 263.381 3.246 20 10 CGCDRO COc1cc(C[C@@H](C)[NH2+][C@@H](C)c2ccccc2O)ccn1 ZINC000877757983 635186886 /nfs/dbraw/zinc/18/68/86/635186886.db2.gz BMYAYQNQORXMEM-OLZOCXBDSA-N 1 0 286.375 3.078 20 10 CGCDRO C[C@@H](CSCCF)[NH2+][C@@H](C)c1ccccc1O ZINC000877758409 635186894 /nfs/dbraw/zinc/18/68/94/635186894.db2.gz YXSDQZCKVBYJPB-QWRGUYRKSA-N 1 0 257.374 3.134 20 10 CGCDRO COC(=O)C[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2ccccc2O)[C@H]1C ZINC000877757980 635187139 /nfs/dbraw/zinc/18/71/39/635187139.db2.gz BMEGREYUNLGWEZ-PWNZVWSESA-N 1 0 291.391 3.021 20 10 CGCDRO Cc1cccc(C[NH2+]C2([C@@H]3CCCCO3)CCC2)c1O ZINC000877769956 635195423 /nfs/dbraw/zinc/19/54/23/635195423.db2.gz AHFOJPVTYICHDH-HNNXBMFYSA-N 1 0 275.392 3.282 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000877806104 635209670 /nfs/dbraw/zinc/20/96/70/635209670.db2.gz MWPGQXREKRCVJF-WBAXXEDZSA-N 1 0 288.435 3.108 20 10 CGCDRO C[C@@H]([NH2+]C[C@H](O)c1ccco1)c1ccc(Cl)cc1O ZINC000841743424 635220876 /nfs/dbraw/zinc/22/08/76/635220876.db2.gz GFYURXTTZQLHET-RNCFNFMXSA-N 1 0 281.739 3.023 20 10 CGCDRO CC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])CC1 ZINC000841746767 635223709 /nfs/dbraw/zinc/22/37/09/635223709.db2.gz LDMAAIWRMRHBNE-GFCCVEGCSA-N 1 0 296.842 3.428 20 10 CGCDRO C[C@@H]([NH2+][C@@H](CO)CC(C)(C)C)c1ccc(Cl)cc1O ZINC000841752259 635225228 /nfs/dbraw/zinc/22/52/28/635225228.db2.gz RUYBNEQPWKMEON-ZYHUDNBSSA-N 1 0 285.815 3.493 20 10 CGCDRO CC[C@H](COC)[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841754218 635228895 /nfs/dbraw/zinc/22/88/95/635228895.db2.gz JAWGUGRJCXLXTD-MWLCHTKSSA-N 1 0 257.761 3.121 20 10 CGCDRO CO[C@@H](C[NH2+][C@@H](C)c1cc(F)ccc1O)CC(C)C ZINC000841755337 635229127 /nfs/dbraw/zinc/22/91/27/635229127.db2.gz JHHFSHNEPYEQBT-WCQYABFASA-N 1 0 269.360 3.243 20 10 CGCDRO CC[C@@H]([NH2+]Cc1cc(F)ccc1O)[C@H](O)c1ccccc1 ZINC000877832471 635233313 /nfs/dbraw/zinc/23/33/13/635233313.db2.gz MKCVUDKVOPBERI-NVXWUHKLSA-N 1 0 289.350 3.133 20 10 CGCDRO OC[C@H](CC1CCCCC1)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000841761347 635233534 /nfs/dbraw/zinc/23/35/34/635233534.db2.gz IRQQYOKXGJDRAL-HOTGVXAUSA-N 1 0 289.419 3.300 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H]1COC(C)(C)C1 ZINC000841887098 635246002 /nfs/dbraw/zinc/24/60/02/635246002.db2.gz FDZIKZBGNYROPR-GOEBONIOSA-N 1 0 290.451 3.149 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1COCc2ccccc21 ZINC000841889391 635247904 /nfs/dbraw/zinc/24/79/04/635247904.db2.gz ALIQHRCQLOLFFB-IBGZPJMESA-N 1 0 296.414 3.422 20 10 CGCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(C)CC3)cc2)CO1 ZINC000842677442 635437439 /nfs/dbraw/zinc/43/74/39/635437439.db2.gz QAOHRYGRWRKZHL-WBVHZDCISA-N 1 0 288.435 3.190 20 10 CGCDRO CCCC[C@](C)(CO)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000842750242 635459811 /nfs/dbraw/zinc/45/98/11/635459811.db2.gz XZRYDWFVFBXTTG-JTHGQSKGSA-N 1 0 290.451 3.297 20 10 CGCDRO Cc1ccc(O)c(C[NH2+]CC2CCC(F)CC2)c1 ZINC000842780914 635470499 /nfs/dbraw/zinc/47/04/99/635470499.db2.gz YSWNZZYVFUKMNO-UHFFFAOYSA-N 1 0 251.345 3.319 20 10 CGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCS[C@H]2C)c(Cl)c1 ZINC000842780990 635470725 /nfs/dbraw/zinc/47/07/25/635470725.db2.gz XJNFSEWZLKVHTP-JOYOIKCWSA-N 1 0 271.813 3.338 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2C[C@@H](OC(C)(C)C)C2)c1 ZINC000842920028 635511896 /nfs/dbraw/zinc/51/18/96/635511896.db2.gz GMNYYHDODARYAI-SGMGOOAPSA-N 1 0 293.407 3.398 20 10 CGCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1nc2c(s1)CCC2 ZINC000843057992 635553196 /nfs/dbraw/zinc/55/31/96/635553196.db2.gz KABFSQHSEPTNTI-UHFFFAOYSA-N 1 0 299.443 3.043 20 10 CGCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1csc(C2CC2)n1 ZINC000843057438 635553272 /nfs/dbraw/zinc/55/32/72/635553272.db2.gz MCGJGDZIDAQIAH-UHFFFAOYSA-N 1 0 299.443 3.432 20 10 CGCDRO CC[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ccc(F)cc1[O-] ZINC000843343718 635651385 /nfs/dbraw/zinc/65/13/85/635651385.db2.gz FZPAPDOBZBMONP-INIZCTEOSA-N 1 0 288.366 3.231 20 10 CGCDRO Cc1ccc(O)c(C[NH2+][C@@H](C(C)C)C2(CO)CC=CC2)c1 ZINC000843432696 635674741 /nfs/dbraw/zinc/67/47/41/635674741.db2.gz IBHYLQBIPKJTON-KRWDZBQOSA-N 1 0 289.419 3.144 20 10 CGCDRO Cc1cccc(C[N@H+]2C[C@H](C)OC3(CCCC3)C2)c1O ZINC000843435666 635676177 /nfs/dbraw/zinc/67/61/77/635676177.db2.gz XCVJDLBNSNPABC-AWEZNQCLSA-N 1 0 275.392 3.234 20 10 CGCDRO C[C@@H]([NH2+]Cc1nnc(C2CC2)n1C1CC1)c1ccccc1O ZINC000879648940 635826963 /nfs/dbraw/zinc/82/69/63/635826963.db2.gz GSZGCYPRUIAJRF-LLVKDONJSA-N 1 0 298.390 3.047 20 10 CGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@]3(CC3(F)F)C2)cc1C ZINC000844757633 635959392 /nfs/dbraw/zinc/95/93/92/635959392.db2.gz FUEOPXKTADYUAT-AWEZNQCLSA-N 1 0 267.319 3.240 20 10 CGCDRO COc1ccc(O)c(C[N@@H+]2CCCC(C)(C)CC2)c1 ZINC000211495459 636091478 /nfs/dbraw/zinc/09/14/78/636091478.db2.gz ALIVCEMVFSGZCZ-UHFFFAOYSA-N 1 0 263.381 3.413 20 10 CGCDRO Cc1cccc(C[NH2+]CC[C@@]2(C)C[C@@]2(F)Cl)c1O ZINC000846041458 636136593 /nfs/dbraw/zinc/13/65/93/636136593.db2.gz XXSBCPKHCZHYPA-KBPBESRZSA-N 1 0 271.763 3.495 20 10 CGCDRO Oc1ccccc1C[NH+]1CCC2(CC2(F)F)CC1 ZINC000846054373 636138860 /nfs/dbraw/zinc/13/88/60/636138860.db2.gz MFUTYSUSSKSMDL-UHFFFAOYSA-N 1 0 253.292 3.013 20 10 CGCDRO Cc1cccc(C[NH+]2CCC3(CC3(F)F)CC2)c1O ZINC000846054413 636139248 /nfs/dbraw/zinc/13/92/48/636139248.db2.gz NCCKCBHMYCUBAR-UHFFFAOYSA-N 1 0 267.319 3.322 20 10 CGCDRO CCC(CC)C[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846147119 636149679 /nfs/dbraw/zinc/14/96/79/636149679.db2.gz TUZZEVVGYDTDIX-NSHDSACASA-N 1 0 251.370 3.488 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]Cc2sc(C)nc2C)c1O ZINC000846146152 636149864 /nfs/dbraw/zinc/14/98/64/636149864.db2.gz NUAFHDWAVHMZQL-VIFPVBQESA-N 1 0 292.404 3.325 20 10 CGCDRO CC[C@H](CSC)[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846158832 636150279 /nfs/dbraw/zinc/15/02/79/636150279.db2.gz LEMKFYGUKXNSCB-WDEREUQCSA-N 1 0 269.410 3.193 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H]2CCCC2(F)F)c1O ZINC000846168141 636151926 /nfs/dbraw/zinc/15/19/26/636151926.db2.gz HCWOEIRGNUUMSX-MNOVXSKESA-N 1 0 285.334 3.487 20 10 CGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2CCC(F)(F)C2)c1O ZINC000846168714 636152130 /nfs/dbraw/zinc/15/21/30/636152130.db2.gz UGHBQAFYHIYVTM-WDEREUQCSA-N 1 0 285.334 3.487 20 10 CGCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)[C@](C)(OC)C2CC2)c1O ZINC000846173424 636153719 /nfs/dbraw/zinc/15/37/19/636153719.db2.gz QSROESLUFVMQJT-PRXAMGSTSA-N 1 0 293.407 3.255 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)[C@](C)(O)c1ccccc1 ZINC000846189644 636156110 /nfs/dbraw/zinc/15/61/10/636156110.db2.gz RBKXOYDXRODQSG-IYOUNJFTSA-N 1 0 285.387 3.339 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)[C@@](C)(O)c1ccccc1 ZINC000846189646 636156505 /nfs/dbraw/zinc/15/65/05/636156505.db2.gz RBKXOYDXRODQSG-PMUMKWKESA-N 1 0 285.387 3.339 20 10 CGCDRO CC[C@@H]([NH2+]Cc1ccc2nonc2c1)c1ccccc1O ZINC000846844008 636257549 /nfs/dbraw/zinc/25/75/49/636257549.db2.gz JYOFIZOFNKFZCX-CYBMUJFWSA-N 1 0 283.331 3.169 20 10 CGCDRO CC(C)(C)[NH+]1CCC([NH2+]Cc2cc(F)cc(F)c2[O-])CC1 ZINC000882905093 636454672 /nfs/dbraw/zinc/45/46/72/636454672.db2.gz SZRUDSDCVWABLX-UHFFFAOYSA-N 1 0 298.377 3.023 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cn2ccccc2n1 ZINC000848524343 636587548 /nfs/dbraw/zinc/58/75/48/636587548.db2.gz DQZFPYKRNVZTTD-CYBMUJFWSA-N 1 0 293.370 3.120 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](C2CC2)[C@H]2CCCCO2)cc1C ZINC000848561392 636606352 /nfs/dbraw/zinc/60/63/52/636606352.db2.gz YQQPYXLGPWTUIK-MSOLQXFVSA-N 1 0 289.419 3.441 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](C2CC2)[C@@H]2CCCCO2)cc1C ZINC000848561394 636606565 /nfs/dbraw/zinc/60/65/65/636606565.db2.gz YQQPYXLGPWTUIK-ROUUACIJSA-N 1 0 289.419 3.441 20 10 CGCDRO COc1ccc(N2CCC([NH2+]C[C@H]3C=CCC3)CC2)cc1 ZINC000883238211 636607951 /nfs/dbraw/zinc/60/79/51/636607951.db2.gz VSMBQEGPDVPLET-HNNXBMFYSA-N 1 0 286.419 3.220 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CCc2ccns2)c(Cl)c1 ZINC000883239384 636609136 /nfs/dbraw/zinc/60/91/36/636609136.db2.gz FFPJLLKJCSWNCK-UHFFFAOYSA-N 1 0 282.796 3.143 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)Cc2ccccn2)c1 ZINC000848565837 636609403 /nfs/dbraw/zinc/60/94/03/636609403.db2.gz TWYIAEIKLSKNJD-OLZOCXBDSA-N 1 0 286.375 3.078 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@H]2C[C@H](OC(C)(C)C)C2)cc1 ZINC000848566993 636609563 /nfs/dbraw/zinc/60/95/63/636609563.db2.gz NSTOZZFGSNLVEC-KOMQPUFPSA-N 1 0 276.424 3.188 20 10 CGCDRO COC[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)C1 ZINC000883319566 636670732 /nfs/dbraw/zinc/67/07/32/636670732.db2.gz HPDPRVZPUOZVBO-KQXIARHKSA-N 1 0 279.355 3.094 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)c1O ZINC000848882200 636671873 /nfs/dbraw/zinc/67/18/73/636671873.db2.gz MVUDWVXDSBOPLN-OAHLLOKOSA-N 1 0 285.391 3.057 20 10 CGCDRO CCc1cccc(CN2CCC[N@@H+](C(C)(C)C)CC2)c1O ZINC000848883008 636672296 /nfs/dbraw/zinc/67/22/96/636672296.db2.gz HACQBTNFBPCYBJ-UHFFFAOYSA-N 1 0 290.451 3.261 20 10 CGCDRO CCc1cccc(C[N@@H+]2CCOc3ccccc3C2)c1O ZINC000848883753 636673332 /nfs/dbraw/zinc/67/33/32/636673332.db2.gz SIIYDKQBIPTQIQ-UHFFFAOYSA-N 1 0 283.371 3.349 20 10 CGCDRO CCc1cccc(C[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)c1O ZINC000848889823 636677873 /nfs/dbraw/zinc/67/78/73/636677873.db2.gz MVPGTWRSCNELEL-WMLDXEAASA-N 1 0 299.418 3.234 20 10 CGCDRO CCc1cccc(C[NH2+]CCc2ccccc2OC)c1O ZINC000848890424 636677891 /nfs/dbraw/zinc/67/78/91/636677891.db2.gz IMOOQBIUICQLEY-UHFFFAOYSA-N 1 0 285.387 3.296 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H](CC)[C@H]2CCCO2)c1O ZINC000848901132 636681930 /nfs/dbraw/zinc/68/19/30/636681930.db2.gz UKISTVAMHOSQAA-LSDHHAIUSA-N 1 0 263.381 3.002 20 10 CGCDRO CCc1cccc(C[N@H+](C)CCc2ccncc2)c1O ZINC000848901914 636682737 /nfs/dbraw/zinc/68/27/37/636682737.db2.gz GEQKGLBHORNDHF-UHFFFAOYSA-N 1 0 270.376 3.024 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H](CCOC)c2ccco2)c1O ZINC000848902036 636682854 /nfs/dbraw/zinc/68/28/54/636682854.db2.gz IZJPDWDSRPLSST-HNNXBMFYSA-N 1 0 289.375 3.415 20 10 CGCDRO CCc1cccc(C[NH2+][C@@]2(C)CCO[C@@H]2C2CC2)c1O ZINC000848902264 636682895 /nfs/dbraw/zinc/68/28/95/636682895.db2.gz MJTFRHCCLFLAAU-SJORKVTESA-N 1 0 275.392 3.002 20 10 CGCDRO CCc1cccc(C[NH2+][C@@H](C)[C@](C)(O)c2ccccc2)c1O ZINC000848919573 636691818 /nfs/dbraw/zinc/69/18/18/636691818.db2.gz NNZLVYKBUGJHKE-LIRRHRJNSA-N 1 0 299.414 3.340 20 10 CGCDRO COC[C@H](C)[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000131971023 636770419 /nfs/dbraw/zinc/77/04/19/636770419.db2.gz JWYBKHXOWJHQJI-LSDHHAIUSA-N 1 0 276.424 3.362 20 10 CGCDRO COC[C@@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)C(C)C ZINC000086697981 636782837 /nfs/dbraw/zinc/78/28/37/636782837.db2.gz ZXGBYFZRYXSXAA-GOSISDBHSA-N 1 0 290.451 3.438 20 10 CGCDRO Oc1cccc(Cl)c1CN1CC[NH+](C2CCCC2)CC1 ZINC000133881471 636985260 /nfs/dbraw/zinc/98/52/60/636985260.db2.gz NOOJZEYOCOKMJB-UHFFFAOYSA-N 1 0 294.826 3.106 20 10 CGCDRO Oc1ccccc1C[NH2+]Cc1ccc2ccccc2n1 ZINC000134228602 637007525 /nfs/dbraw/zinc/00/75/25/637007525.db2.gz ANKZDWPXIGTNPT-UHFFFAOYSA-N 1 0 264.328 3.230 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+]C[C@@H]3CC=CCC3)C2)cc1 ZINC000850346634 637022819 /nfs/dbraw/zinc/02/28/19/637022819.db2.gz VKUKRVCKNGPHBE-CVEARBPZSA-N 1 0 286.419 3.220 20 10 CGCDRO CCC(O)(CC)C(C)(C)C[NH2+]Cc1cc(C)ccc1O ZINC000850353853 637024197 /nfs/dbraw/zinc/02/41/97/637024197.db2.gz OBEYLWGCOJPNFY-UHFFFAOYSA-N 1 0 279.424 3.368 20 10 CGCDRO CCOc1ccc(C[NH2+]CCC2(CSC)CC2)c(O)c1 ZINC000850355472 637024753 /nfs/dbraw/zinc/02/47/53/637024753.db2.gz FKCLVCUSTTURKS-UHFFFAOYSA-N 1 0 295.448 3.414 20 10 CGCDRO CC[C@H](C)CC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000850355066 637025456 /nfs/dbraw/zinc/02/54/56/637025456.db2.gz CQEJDBFAYRFETH-AWEZNQCLSA-N 1 0 294.414 3.188 20 10 CGCDRO CN(C)c1ccc(/C=C/C[NH2+]CCC(C)(C)F)cc1 ZINC000850374685 637037047 /nfs/dbraw/zinc/03/70/47/637037047.db2.gz NBTKWOYSYKCKEN-AATRIKPKSA-N 1 0 264.388 3.494 20 10 CGCDRO Oc1ccc2c(c1)[C@H]([NH2+]Cc1ccc3c(c1)CCO3)CC2 ZINC000850385551 637041926 /nfs/dbraw/zinc/04/19/26/637041926.db2.gz ASFPJRUFBHKDKX-QGZVFWFLSA-N 1 0 281.355 3.104 20 10 CGCDRO CN(C)c1ccc(C[NH2+][C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)cc1 ZINC000850409210 637051640 /nfs/dbraw/zinc/05/16/40/637051640.db2.gz NYFNRXGPWCECRO-CEXWTWQISA-N 1 0 296.389 3.320 20 10 CGCDRO C[C@H]([NH2+]CCCF)c1ccc(Br)cc1O ZINC000134936058 637053251 /nfs/dbraw/zinc/05/32/51/637053251.db2.gz TWYTVDPVTOROCB-QMMMGPOBSA-N 1 0 276.149 3.165 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)C(C)(C)C(F)F ZINC000850430030 637058962 /nfs/dbraw/zinc/05/89/62/637058962.db2.gz LJNQORXIHKKPHW-JTQLQIEISA-N 1 0 269.335 3.391 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCCC12CC2 ZINC000850436000 637062067 /nfs/dbraw/zinc/06/20/67/637062067.db2.gz QOSLQYCAPGYWNQ-INIZCTEOSA-N 1 0 258.409 3.483 20 10 CGCDRO C[C@@H](CSCCF)[NH2+]CCCSc1nccs1 ZINC000850436462 637062164 /nfs/dbraw/zinc/06/21/64/637062164.db2.gz JRCSGHSHKNMCNT-JTQLQIEISA-N 1 0 294.486 3.306 20 10 CGCDRO CC[C@H]([NH2+][C@@H]1COC(C)(C)C1)c1ccc(N(C)C)cc1 ZINC000850482039 637085784 /nfs/dbraw/zinc/08/57/84/637085784.db2.gz MGHHGELMHHIHRF-HOCLYGCPSA-N 1 0 276.424 3.361 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+][C@H]2COC(C)(C)C2)c(O)c1 ZINC000850482330 637085804 /nfs/dbraw/zinc/08/58/04/637085804.db2.gz OIICTXKQNDIMGF-CHWSQXEVSA-N 1 0 263.381 3.227 20 10 CGCDRO CC[C@@H]([NH2+]C/C=C/CO)c1ccc(C(F)(F)F)cc1O ZINC000850506911 637094114 /nfs/dbraw/zinc/09/41/14/637094114.db2.gz CNFYTWQFVZDYMN-AAOUONPWSA-N 1 0 289.297 3.000 20 10 CGCDRO C[C@@H]([NH2+][C@@H](C)C1(CO)CC1)c1ccc2ccccc2c1O ZINC000850516952 637100275 /nfs/dbraw/zinc/10/02/75/637100275.db2.gz ZWQGJQJVOYLNCF-OLZOCXBDSA-N 1 0 285.387 3.357 20 10 CGCDRO CC[C@@H](O)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000850531189 637108721 /nfs/dbraw/zinc/10/87/21/637108721.db2.gz GTKAXRXYWBLIBF-WMLDXEAASA-N 1 0 276.424 3.098 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@]23OCCC[C@H]2C3(F)F)c1 ZINC000850533346 637110325 /nfs/dbraw/zinc/11/03/25/637110325.db2.gz WKNAIXXJLAMQMA-DFBGVHRSSA-N 1 0 297.345 3.166 20 10 CGCDRO C[C@@H]([NH2+][C@H]1CCc2ccc(O)cc21)c1ccccc1O ZINC000850543585 637116098 /nfs/dbraw/zinc/11/60/98/637116098.db2.gz MQFNKYXJDLIQAI-BZNIZROVSA-N 1 0 269.344 3.436 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCc3ccc(O)cc32)c1 ZINC000850543718 637116104 /nfs/dbraw/zinc/11/61/04/637116104.db2.gz ONHVHSXWGIYHFT-DIFFPNOSSA-N 1 0 299.370 3.445 20 10 CGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](CO)CC2CC2)c(O)c1 ZINC000850544492 637116111 /nfs/dbraw/zinc/11/61/11/637116111.db2.gz GSDQRHUAMPENFD-UKRRQHHQSA-N 1 0 277.408 3.068 20 10 CGCDRO CCCN1CC[C@H]([NH2+][C@H](C)c2c(C)cc(C)cc2O)C1 ZINC000850554303 637119832 /nfs/dbraw/zinc/11/98/32/637119832.db2.gz IYNIPLGLAGDFHV-CABCVRRESA-N 1 0 276.424 3.144 20 10 CGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C(C)(C)C ZINC000850565780 637126698 /nfs/dbraw/zinc/12/66/98/637126698.db2.gz HZAKMDYFXBLMDS-CQSZACIVSA-N 1 0 290.451 3.172 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+][C@H](c2ccccc2)[C@@H](C)O)c(O)c1 ZINC000850584721 637132979 /nfs/dbraw/zinc/13/29/79/637132979.db2.gz SSYJHSMKEUCQET-IYOUNJFTSA-N 1 0 285.387 3.473 20 10 CGCDRO CCC[N@H+](CCO[C@@H]1CC1(F)F)Cc1ccccc1O ZINC000851792090 637505373 /nfs/dbraw/zinc/50/53/73/637505373.db2.gz KJOOCJMOUFKUDT-CQSZACIVSA-N 1 0 285.334 3.028 20 10 CGCDRO CS[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000219191871 637507790 /nfs/dbraw/zinc/50/77/90/637507790.db2.gz VUEFUYLJOGLLQZ-GDBMZVCRSA-N 1 0 277.433 3.385 20 10 CGCDRO C[C@@H]([NH2+]Cc1cc(C2CC2)no1)c1cc(F)ccc1O ZINC000886684574 637650754 /nfs/dbraw/zinc/65/07/54/637650754.db2.gz NVPBDFNGPQTWQG-SECBINFHSA-N 1 0 276.311 3.248 20 10 CGCDRO C[C@@H]([NH2+]C[C@@H]1CC2(CCC2)CO1)c1cc(F)ccc1O ZINC000886701688 637664000 /nfs/dbraw/zinc/66/40/00/637664000.db2.gz UQENBGFCMZQJBW-YPMHNXCESA-N 1 0 279.355 3.141 20 10 CGCDRO CO[C@@H]1C[C@@H]([NH2+][C@H](C)c2cc(C)ccc2O)C1(C)C ZINC000300419158 637838269 /nfs/dbraw/zinc/83/82/69/637838269.db2.gz QQDZHGGYCBRIEN-KCPJHIHWSA-N 1 0 263.381 3.165 20 10 CGCDRO C[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2O)C[C@@H](C)C1 ZINC000300416343 637838356 /nfs/dbraw/zinc/83/83/56/637838356.db2.gz RTQGGZRLYHXBQT-YABSGUDNSA-N 1 0 251.345 3.446 20 10 CGCDRO COc1cccc(C[NH2+]C[C@H]2C[C@H]2c2ccccc2)c1O ZINC000111398487 637861433 /nfs/dbraw/zinc/86/14/33/637861433.db2.gz HOZNHDZYFVFPKS-CVEARBPZSA-N 1 0 283.371 3.294 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@H+]2C[C@H](C)O[C@](C)(C(F)F)C2)c1 ZINC000853630091 637877280 /nfs/dbraw/zinc/87/72/80/637877280.db2.gz NJVFMHBQHZFDAY-LRDDRELGSA-N 1 0 299.361 3.254 20 10 CGCDRO C[C@H]([NH2+][C@H]1CCc2cc(N)ccc21)c1cc(F)ccc1O ZINC000854228010 638028877 /nfs/dbraw/zinc/02/88/77/638028877.db2.gz YMYYKFZDJLLONM-QFYYESIMSA-N 1 0 286.350 3.452 20 10 CGCDRO COC[C@@H](C)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000011788164 638266266 /nfs/dbraw/zinc/26/62/66/638266266.db2.gz HAUIVERLIFQMKM-CYBMUJFWSA-N 1 0 271.360 3.184 20 10 CGCDRO COc1cccc(C[NH2+]CC[C@H]2CC2(Cl)Cl)c1O ZINC000856808345 638394077 /nfs/dbraw/zinc/39/40/77/638394077.db2.gz YSOQLLBLCMPRHM-JTQLQIEISA-N 1 0 290.190 3.074 20 10 CGCDRO CC(C)[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000924863523 638418097 /nfs/dbraw/zinc/41/80/97/638418097.db2.gz YSVHYTOPNOHIKW-HOCLYGCPSA-N 1 0 294.414 3.042 20 10 CGCDRO Cc1cc(O)c(C[NH2+]CC[C@@H]2CC2(F)F)cc1Cl ZINC000857059626 638446412 /nfs/dbraw/zinc/44/64/12/638446412.db2.gz VCTISKAARGGUSD-SNVBAGLBSA-N 1 0 275.726 3.489 20 10 CGCDRO Cc1cccc(C[NH2+]CC[C@@H]2CC2(Cl)Cl)c1O ZINC000857065078 638448535 /nfs/dbraw/zinc/44/85/35/638448535.db2.gz IECFIJHJJDXTRZ-LLVKDONJSA-N 1 0 274.191 3.374 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccccc1 ZINC000115629387 638569845 /nfs/dbraw/zinc/56/98/45/638569845.db2.gz QAIZJWHBWOITIN-UHFFFAOYSA-N 1 0 254.377 3.351 20 10 CGCDRO Cc1ccc(O[C@@H]2CC[N@H+](Cc3cccc(C)c3O)C2)nc1 ZINC000858013613 638618819 /nfs/dbraw/zinc/61/88/19/638618819.db2.gz USWYQJOUBFKODF-MRXNPFEDSA-N 1 0 298.386 3.057 20 10 CGCDRO COC1([C@@H](C)[NH2+]Cc2cc(F)c(N(C)C)cc2F)CCC1 ZINC000858177345 638649631 /nfs/dbraw/zinc/64/96/31/638649631.db2.gz BLHWXYMPUUVXDH-LLVKDONJSA-N 1 0 298.377 3.078 20 10 CGCDRO CC[C@@H]1C[C@H]([NH2+]Cc2cc(F)c(N(C)C)cc2F)CCO1 ZINC000858180314 638650667 /nfs/dbraw/zinc/65/06/67/638650667.db2.gz QGTYWGCOUSACLY-CHWSQXEVSA-N 1 0 298.377 3.078 20 10 CGCDRO CCOc1ccc(C[NH2+][C@@H](C)c2ccns2)c(O)c1 ZINC000858317427 638680647 /nfs/dbraw/zinc/68/06/47/638680647.db2.gz NVOKGEXEOONUAB-JTQLQIEISA-N 1 0 278.377 3.098 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCN2CC(F)F)c(O)c1 ZINC000858479079 638734774 /nfs/dbraw/zinc/73/47/74/638734774.db2.gz IGIFFIXBCXMVOC-OLZOCXBDSA-N 1 0 298.377 3.081 20 10 CGCDRO COc1cccc([C@@H](C)[NH2+]C[C@]2(C)C[C@H]3C[C@H]3C2)c1O ZINC000858536746 638757576 /nfs/dbraw/zinc/75/75/76/638757576.db2.gz JVVMBOCRBAISLI-KOFHJDLBSA-N 1 0 275.392 3.488 20 10 CGCDRO COc1ccc(N2CC[C@H]([NH2+][C@H](C)C3(Cl)CC3)C2)cc1 ZINC000926680000 638797855 /nfs/dbraw/zinc/79/78/55/638797855.db2.gz IZVHYCJAYHKKMH-OLZOCXBDSA-N 1 0 294.826 3.023 20 10 CGCDRO CC[C@H]([NH2+]CCc1cc(C)n(C)n1)c1ccc(C)cc1O ZINC000926909017 638823669 /nfs/dbraw/zinc/82/36/69/638823669.db2.gz CYADIOKIPWAIKV-INIZCTEOSA-N 1 0 287.407 3.026 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2C[C@H]3OC(C)(C)O[C@H]3C2)c1 ZINC000927061380 638836421 /nfs/dbraw/zinc/83/64/21/638836421.db2.gz SMKJAAVKZPXDMZ-BHTHQVBYSA-N 1 0 291.391 3.034 20 10 CGCDRO COC[C@@H](C[NH2+][C@@H](C)c1cc(F)ccc1O)C(C)C ZINC000927096510 638841275 /nfs/dbraw/zinc/84/12/75/638841275.db2.gz LYZQBLJWUFHJRF-NWDGAFQWSA-N 1 0 269.360 3.101 20 10 CGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(C3CC3)nn2C)c1 ZINC000927103054 638842625 /nfs/dbraw/zinc/84/26/25/638842625.db2.gz WWTYOVREVRKLKN-GFCCVEGCSA-N 1 0 285.391 3.162 20 10 CGCDRO CO[C@H]1C[C@@H](C[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)C1 ZINC000858592700 638999025 /nfs/dbraw/zinc/99/90/25/638999025.db2.gz JBMZPBBLZJWPEE-WZRBSPASSA-N 1 0 283.799 3.430 20 10 CGCDRO COc1ccc(C[NH2+][C@@H](C)Cc2cccnc2)cc1C ZINC000934227282 639564144 /nfs/dbraw/zinc/56/41/44/639564144.db2.gz OGFJFFAOYWKJRQ-AWEZNQCLSA-N 1 0 270.376 3.119 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]C[C@H]2CCC(C)(C)O2)c1O ZINC000190254156 640236017 /nfs/dbraw/zinc/23/60/17/640236017.db2.gz OCNZCUCVLOVZBF-GFCCVEGCSA-N 1 0 299.798 3.101 20 10 CGCDRO Oc1ccccc1C[NH2+]CCc1ccc(F)c(F)c1 ZINC000190284334 640237026 /nfs/dbraw/zinc/23/70/26/640237026.db2.gz XDXQKZSLYYLDHD-UHFFFAOYSA-N 1 0 263.287 3.003 20 10 CGCDRO Cc1ccc(C[C@@H](CO)[NH2+][C@H](C)c2ccc(C)cc2O)cc1 ZINC000191579043 640320067 /nfs/dbraw/zinc/32/00/67/640320067.db2.gz CVIUTOPQSKAFAF-WBVHZDCISA-N 1 0 299.414 3.263 20 10 CGCDRO C[C@H]1CSCC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000192181599 640355781 /nfs/dbraw/zinc/35/57/81/640355781.db2.gz XWKUHHFGPGBTND-GFCCVEGCSA-N 1 0 277.433 3.066 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc3c(c2)OCCO3)c(O)c1 ZINC000192911096 640418084 /nfs/dbraw/zinc/41/80/84/640418084.db2.gz WSOHCJVTIGSLCF-CYBMUJFWSA-N 1 0 299.370 3.323 20 10 CGCDRO CC[N@H+](Cc1cc(C(C)(C)C)cc(O)c1O)C1CC1 ZINC000192992514 640423777 /nfs/dbraw/zinc/42/37/77/640423777.db2.gz MTCCCGBIJLSNOR-UHFFFAOYSA-N 1 0 263.381 3.380 20 10 CGCDRO CSC1(C[NH2+]Cc2cc(Cl)ccc2O)CC1 ZINC000193658395 640485578 /nfs/dbraw/zinc/48/55/78/640485578.db2.gz VITKPXMTYXWKGG-UHFFFAOYSA-N 1 0 257.786 3.031 20 10 CGCDRO C[C@H]([NH2+][C@H](CO)CC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000090588946 640686472 /nfs/dbraw/zinc/68/64/72/640686472.db2.gz JJZBOUPUEIBXPL-ZFWWWQNUSA-N 1 0 278.440 3.200 20 10 CGCDRO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000093102887 640756454 /nfs/dbraw/zinc/75/64/54/640756454.db2.gz QKJPOONYIPKWLI-IYBDPMFKSA-N 1 0 288.435 3.286 20 10 CGCDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2cccc(OC)c2O)C1(C)C ZINC000093605311 640776605 /nfs/dbraw/zinc/77/66/05/640776605.db2.gz WKSMNGWKOIUBRE-LSDHHAIUSA-N 1 0 293.407 3.036 20 10 CGCDRO Oc1ccc(Cl)cc1CN1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000250739869 640816121 /nfs/dbraw/zinc/81/61/21/640816121.db2.gz DVNCOAWPKOPVCQ-HUUCEWRRSA-N 1 0 294.826 3.152 20 10 CGCDRO C[C@@H]1CCCCN1CC[NH2+]Cc1c(O)cccc1Cl ZINC000113322167 640975021 /nfs/dbraw/zinc/97/50/21/640975021.db2.gz FNBSOINCCAJSPY-GFCCVEGCSA-N 1 0 282.815 3.010 20 10 CGCDRO c1cc2c(cc1Nc1ccc3c(c1)CCCN3)CC[NH2+]C2 ZINC001159600707 806129043 /nfs/dbraw/zinc/12/90/43/806129043.db2.gz NDEAXAGZSODLMY-UHFFFAOYSA-N 1 0 279.387 3.434 20 10 CGCDRO COc1cc(C[N@H+](C)[C@H]2CC[C@H](SC)C2)c(O)cc1C ZINC001253980996 806324953 /nfs/dbraw/zinc/32/49/53/806324953.db2.gz KOMUHQGLYCEWLH-KBPBESRZSA-N 1 0 295.448 3.425 20 10 CGCDRO C[C@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccc1O ZINC001254574203 806454135 /nfs/dbraw/zinc/45/41/35/806454135.db2.gz GQJTZTYBOZQGLO-SMDDNHRTSA-N 1 0 298.342 3.118 20 10 CGCDRO CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])C1 ZINC001254720984 806487231 /nfs/dbraw/zinc/48/72/31/806487231.db2.gz FGJVCEOTZTWQGH-NEPJUHHUSA-N 1 0 298.377 3.053 20 10 CGCDRO O=C1C[C@@H]2CC([NH2+]Cc3ccc(N4CCCC4)cc3)C[C@H]2C1 ZINC001254922549 806507813 /nfs/dbraw/zinc/50/78/13/806507813.db2.gz SDRIXAZMHAZHDN-HOTGVXAUSA-N 1 0 298.430 3.134 20 10 CGCDRO O=C1C[C@H]2C[C@H]([NH2+]Cc3ccc(N4CCCC4)cc3)C[C@H]2C1 ZINC001254922548 806507887 /nfs/dbraw/zinc/50/78/87/806507887.db2.gz SDRIXAZMHAZHDN-FVQHAEBGSA-N 1 0 298.430 3.134 20 10 CGCDRO CN(C)c1ccc(C[N@H+](C)[C@@H]2CCOC(C)(C)C2)cc1 ZINC001255553609 806672098 /nfs/dbraw/zinc/67/20/98/806672098.db2.gz MZGJHSRAPVQORX-MRXNPFEDSA-N 1 0 276.424 3.142 20 10 CGCDRO C[C@@H]1C[C@@H](C)[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000161294499 799079674 /nfs/dbraw/zinc/07/96/74/799079674.db2.gz GGCFNNMQLJZFCB-NXEZZACHSA-N 1 0 284.197 3.385 20 10 CGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)c1 ZINC000246733587 799153141 /nfs/dbraw/zinc/15/31/41/799153141.db2.gz NZUBLPJRDSCGQA-HOCLYGCPSA-N 1 0 275.392 3.010 20 10 CGCDRO C1=CO[C@H](C[NH2+]Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000380211852 799359135 /nfs/dbraw/zinc/35/91/35/799359135.db2.gz IAGYMERXZLOBPS-SFHVURJKSA-N 1 0 286.419 3.459 20 10 CGCDRO CC[C@@H](C)[C@@H](C[NH2+]Cc1ccc(OC)c(C)c1)OC ZINC000381278485 799376279 /nfs/dbraw/zinc/37/62/79/799376279.db2.gz KEYZADYFDUWELY-MLGOLLRUSA-N 1 0 265.397 3.154 20 10 CGCDRO CC[C@H](C[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2C)OC ZINC000381980592 799391263 /nfs/dbraw/zinc/39/12/63/799391263.db2.gz IIKMETAXCFYYGF-JHJVBQTASA-N 1 0 263.381 3.264 20 10 CGCDRO CC[C@@H]([NH2+]CC1CC(F)(F)C1)c1ccccc1O ZINC000383415719 799402997 /nfs/dbraw/zinc/40/29/97/799402997.db2.gz YJMAWBYUAVLCKY-GFCCVEGCSA-N 1 0 255.308 3.478 20 10 CGCDRO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000384314620 799415616 /nfs/dbraw/zinc/41/56/16/799415616.db2.gz RVNPQZGFRNDZOB-BMIGLBTASA-N 1 0 279.355 3.354 20 10 CGCDRO C[C@@H]([NH2+]Cc1cncn1C)c1ccc2ccccc2c1O ZINC000384608208 799417025 /nfs/dbraw/zinc/41/70/25/799417025.db2.gz YDTGTKXWLZVBBC-GFCCVEGCSA-N 1 0 281.359 3.130 20 10 CGCDRO Cc1cc(C[NH2+][C@@H](C)c2cc(F)ccc2O)ccn1 ZINC000391146055 799476620 /nfs/dbraw/zinc/47/66/20/799476620.db2.gz UENHDJMIIXIZEQ-NSHDSACASA-N 1 0 260.312 3.086 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCc2nccs2)c1 ZINC000391199409 799478130 /nfs/dbraw/zinc/47/81/30/799478130.db2.gz PKZXMQRTSSNKAM-LLVKDONJSA-N 1 0 292.404 3.141 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@H]1CC1(C)C ZINC000397667821 799517881 /nfs/dbraw/zinc/51/78/81/799517881.db2.gz DXZXYEYENJOHTB-WMLDXEAASA-N 1 0 288.435 3.047 20 10 CGCDRO CO[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000687212157 799737090 /nfs/dbraw/zinc/73/70/90/799737090.db2.gz HLLSNRHARVFIOD-ZWNOBZJWSA-N 1 0 269.772 3.045 20 10 CGCDRO CCc1cccc(C[NH2+]C[C@@H]2CCC[C@@H](C)O2)c1O ZINC000688885246 799757996 /nfs/dbraw/zinc/75/79/96/799757996.db2.gz SXCLTNISNOOJJT-DOMZBBRYSA-N 1 0 263.381 3.002 20 10 CGCDRO COc1ccc(C[NH2+]C[C@@]2(C)CC2(F)F)cc1C ZINC000689213287 799761702 /nfs/dbraw/zinc/76/17/02/799761702.db2.gz BSWYUWWSUMGORX-CYBMUJFWSA-N 1 0 255.308 3.139 20 10 CGCDRO COc1cc(Cl)cc(C[NH2+]C[C@@]2(C)CC2(F)F)c1O ZINC000689260574 799763359 /nfs/dbraw/zinc/76/33/59/799763359.db2.gz ISEYQIPEGXTHBK-GFCCVEGCSA-N 1 0 291.725 3.189 20 10 CGCDRO Cc1ccc(CC[NH2+][C@@H](C)c2cc(F)ccc2O)o1 ZINC000689806896 799768672 /nfs/dbraw/zinc/76/86/72/799768672.db2.gz IYWOSHIBOSIKAJ-NSHDSACASA-N 1 0 263.312 3.326 20 10 CGCDRO COc1ccc(O)c(C[NH2+]C(C)(C2CC2)C2CC2)c1 ZINC000691786395 799787128 /nfs/dbraw/zinc/78/71/28/799787128.db2.gz DIWPTWSKJMIIML-UHFFFAOYSA-N 1 0 261.365 3.069 20 10 CGCDRO CCc1cccc(C[NH+]2CCC(C(F)F)CC2)c1O ZINC000692110384 799791324 /nfs/dbraw/zinc/79/13/24/799791324.db2.gz UJCBCIGLJFQRGJ-UHFFFAOYSA-N 1 0 269.335 3.432 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]CC1CCC(F)(F)CC1 ZINC000693337620 799809610 /nfs/dbraw/zinc/80/96/10/799809610.db2.gz JIVLFUCNCPCADY-UHFFFAOYSA-N 1 0 273.298 3.446 20 10 CGCDRO CC(C)(C)N1CC[C@H]([NH2+]Cc2c(O)cccc2Cl)C1 ZINC000693867899 799816721 /nfs/dbraw/zinc/81/67/21/799816721.db2.gz PQAVWJCTSRCLPD-NSHDSACASA-N 1 0 282.815 3.008 20 10 CGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCN(C(C)(C)C)C2)c1 ZINC000693887816 799817862 /nfs/dbraw/zinc/81/78/62/799817862.db2.gz KHIDGJGYDXYEEH-UONOGXRCSA-N 1 0 276.424 3.224 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)Cc2ccccn2)c(O)c1 ZINC000693998927 799818663 /nfs/dbraw/zinc/81/86/63/799818663.db2.gz CSGAICWOQYIAEP-UONOGXRCSA-N 1 0 270.376 3.377 20 10 CGCDRO CC[C@@H]([NH2+][C@H](C)Cc1ccccn1)c1ccccc1O ZINC000693999288 799819649 /nfs/dbraw/zinc/81/96/49/799819649.db2.gz FGHLPLLLQKJXQR-CZUORRHYSA-N 1 0 270.376 3.459 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC[C@H]3C[C@H]32)c1 ZINC000694324236 799821824 /nfs/dbraw/zinc/82/18/24/799821824.db2.gz RRYALWMYMWOXJH-UOVKNHIHSA-N 1 0 261.365 3.240 20 10 CGCDRO CCC(C)(C)[C@@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000695105152 799826017 /nfs/dbraw/zinc/82/60/17/799826017.db2.gz GHEPDGSUWWOZOB-SNVBAGLBSA-N 1 0 265.353 3.035 20 10 CGCDRO FC1(F)CCC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000695119738 799826626 /nfs/dbraw/zinc/82/66/26/799826626.db2.gz OQWFOVJYEIZCFY-CYBMUJFWSA-N 1 0 267.319 3.289 20 10 CGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCOC(C)(C)C)c1 ZINC000695262665 799828557 /nfs/dbraw/zinc/82/85/57/799828557.db2.gz LSHJWMWNQSAHNM-GFCCVEGCSA-N 1 0 281.396 3.257 20 10 CGCDRO CCOc1cccc(C[NH2+]C2(C3CCC3)CC2)c1O ZINC000697382818 799845887 /nfs/dbraw/zinc/84/58/87/799845887.db2.gz SHELZQMYCGWGPS-UHFFFAOYSA-N 1 0 261.365 3.213 20 10 CGCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1ccc(F)cc1 ZINC000700878861 799882677 /nfs/dbraw/zinc/88/26/77/799882677.db2.gz HVGLDPBNNVVKMG-UHFFFAOYSA-N 1 0 270.351 3.237 20 10 CGCDRO C[C@H]1CCC[C@@H](C[NH2+]Cc2cc(Cl)ccc2O)O1 ZINC000701511393 799889673 /nfs/dbraw/zinc/88/96/73/799889673.db2.gz HIOYYOAZFVJSLM-GWCFXTLKSA-N 1 0 269.772 3.093 20 10 CGCDRO C[C@@H]1CCC[C@@H](C[NH2+]Cc2cc(Cl)ccc2O)O1 ZINC000701511397 799890090 /nfs/dbraw/zinc/89/00/90/799890090.db2.gz HIOYYOAZFVJSLM-MFKMUULPSA-N 1 0 269.772 3.093 20 10 CGCDRO Oc1cccc(Br)c1C[NH2+]CC1CCC1 ZINC000706833861 799967854 /nfs/dbraw/zinc/96/78/54/799967854.db2.gz KOBURUYEXDONLC-UHFFFAOYSA-N 1 0 270.170 3.044 20 10 CGCDRO CC1(C)C[C@H](C[NH2+]Cc2cc(F)ccc2O)C(C)(C)O1 ZINC000709679706 800012819 /nfs/dbraw/zinc/01/28/19/800012819.db2.gz HKBDOHCAJVBCEM-GFCCVEGCSA-N 1 0 281.371 3.215 20 10 CGCDRO CO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2O)C12CCC2 ZINC000713496537 800111130 /nfs/dbraw/zinc/11/11/30/800111130.db2.gz NXZLVXUJDDOWCQ-NILFDRSVSA-N 1 0 261.365 3.000 20 10 CGCDRO C[C@H]([NH2+]CC[C@@H]1CCCS1)c1ccccc1O ZINC000715617553 800141941 /nfs/dbraw/zinc/14/19/41/800141941.db2.gz BIBKVKIZTOLMKE-RYUDHWBXSA-N 1 0 251.395 3.329 20 10 CGCDRO CN(C)c1ccc(C[NH2+]CC[C@@H]2CCCS2)cc1 ZINC000715698600 800143940 /nfs/dbraw/zinc/14/39/40/800143940.db2.gz SPXVQMXQHYJUAX-HNNXBMFYSA-N 1 0 264.438 3.128 20 10 CGCDRO C[C@@H]([NH2+]CC[C@@H]1CCCS1)c1cc(F)ccc1O ZINC000715713937 800144641 /nfs/dbraw/zinc/14/46/41/800144641.db2.gz BMBXKFAPNQWFBO-PWSUYJOCSA-N 1 0 269.385 3.468 20 10 CGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC[C@@H]2CCCS2)c1 ZINC000715753079 800145998 /nfs/dbraw/zinc/14/59/98/800145998.db2.gz ITMOHTGUOAWEBO-AAEUAGOBSA-N 1 0 281.421 3.337 20 10 CGCDRO Oc1ccc(F)cc1C[NH2+]CC[C@@H]1CCC2(CCC2)O1 ZINC000717150690 800195680 /nfs/dbraw/zinc/19/56/80/800195680.db2.gz RPHTWXIHOBSWPJ-AWEZNQCLSA-N 1 0 279.355 3.113 20 10 CGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2nc3c(s2)CCC3)c(O)c1 ZINC000719571638 800243189 /nfs/dbraw/zinc/24/31/89/800243189.db2.gz UHSOPEHDKYKDPB-LLVKDONJSA-N 1 0 288.416 3.497 20 10 CGCDRO C[C@H]([NH2+]C[C@H]1CC[C@H](C2CC2)O1)c1cc(F)ccc1O ZINC000722338238 800315856 /nfs/dbraw/zinc/31/58/56/800315856.db2.gz UETRVEZURAHRSS-OWRWGESLSA-N 1 0 279.355 3.140 20 10 CGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CC[C@@H](C3CC3)O2)c(O)c1 ZINC000722335095 800316276 /nfs/dbraw/zinc/31/62/76/800316276.db2.gz WQGHTLFDDSXMDG-QEORTHHSSA-N 1 0 275.392 3.309 20 10 CGCDRO C[C@H]([NH2+][C@H](CCO)C1CCCC1)c1cc(F)ccc1O ZINC000725086550 800371844 /nfs/dbraw/zinc/37/18/44/800371844.db2.gz UHCRUQKFFZLQIC-XHDPSFHLSA-N 1 0 281.371 3.123 20 10 CGCDRO COc1cccc(C[C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2)c1 ZINC001256152382 806836565 /nfs/dbraw/zinc/83/65/65/806836565.db2.gz UYATZLJJBBTTHO-OAHLLOKOSA-N 1 0 298.430 3.482 20 10 CGCDRO CCOCc1cc(C[NH2+]C[C@@]2(C)CC2(F)F)ccc1OC ZINC000850379675 800517930 /nfs/dbraw/zinc/51/79/30/800517930.db2.gz VIPUADIUJNVFGY-OAHLLOKOSA-N 1 0 299.361 3.367 20 10 CGCDRO Cc1cc(OC(C)C)ccc1N(CCC[NH3+])C(C)C ZINC001164128676 806898414 /nfs/dbraw/zinc/89/84/14/806898414.db2.gz BSJPUCVFQBAMDZ-UHFFFAOYSA-N 1 0 264.413 3.346 20 10 CGCDRO Oc1cccc(C[NH2+][C@@H]2CCO[C@H](c3ccccc3)C2)c1O ZINC001256791639 806979280 /nfs/dbraw/zinc/97/92/80/806979280.db2.gz BXXYKLBUCSURKB-WBVHZDCISA-N 1 0 299.370 3.108 20 10 CGCDRO CN(C)c1ccc(C[NH2+]Cc2cccn2C2CC2)cc1 ZINC001117744015 802484815 /nfs/dbraw/zinc/48/48/15/802484815.db2.gz RWCACNXMFHNOIZ-UHFFFAOYSA-N 1 0 269.392 3.179 20 10 CGCDRO Cc1cc(O)c(C[N@H+]2CC[C@@](CO)(C(C)C)C2)cc1Cl ZINC001118577353 802586457 /nfs/dbraw/zinc/58/64/57/802586457.db2.gz DJSBMVGOEOTQKT-MRXNPFEDSA-N 1 0 297.826 3.194 20 10 CGCDRO COc1cc(C)cc(C[NH2+]C2(c3ccccc3)CC2)c1O ZINC001119442893 802666120 /nfs/dbraw/zinc/66/61/20/802666120.db2.gz BYNHFNJHQYYPOJ-UHFFFAOYSA-N 1 0 283.371 3.488 20 10 CGCDRO CCC[N@H+](CCc1ccccn1)Cc1c([O-])cccc1F ZINC001137839185 803781206 /nfs/dbraw/zinc/78/12/06/803781206.db2.gz VMCQAGKFQUCOIH-UHFFFAOYSA-N 1 0 288.366 3.381 20 10 CGCDRO COCC[N@H+](C)Cc1cc(C)n(-c2ccccc2)c1C ZINC001137853985 803783853 /nfs/dbraw/zinc/78/38/53/803783853.db2.gz CWCAKCKURNHGDU-UHFFFAOYSA-N 1 0 272.392 3.172 20 10 CGCDRO Cc1cc(C[N@@H+]2CCC[C@](C)(O)C2)c(C)n1-c1ccccc1 ZINC001137857198 803785841 /nfs/dbraw/zinc/78/58/41/803785841.db2.gz BWHRNTUKJUVIDD-IBGZPJMESA-N 1 0 298.430 3.441 20 10 CGCDRO CCO[C@@H]1CCC[N@H+](Cc2c(C)n(C)c3ccccc32)C1 ZINC001138256798 803882658 /nfs/dbraw/zinc/88/26/58/803882658.db2.gz LCTWCCQFZQQAJE-OAHLLOKOSA-N 1 0 286.419 3.488 20 10 CGCDRO CN1CCCc2cc(C[N@@H+]3CCC[C@H](F)CC3)ccc21 ZINC001138354219 803900913 /nfs/dbraw/zinc/90/09/13/803900913.db2.gz BGSLRHOYWMRJMZ-INIZCTEOSA-N 1 0 276.399 3.393 20 10 CGCDRO CN1CCCc2cc(C[NH+]3C[C@@H]4CCC[C@H]4C3)ccc21 ZINC001138354818 803901522 /nfs/dbraw/zinc/90/15/22/803901522.db2.gz WAZVKGPIHLGNJJ-IRXDYDNUSA-N 1 0 270.420 3.301 20 10 CGCDRO Cc1cc(C[NH+]2CCC3(CCCO3)CC2)ccc1N(C)C ZINC001139673571 804247961 /nfs/dbraw/zinc/24/79/61/804247961.db2.gz TYMUNVBLBWPNSG-UHFFFAOYSA-N 1 0 288.435 3.206 20 10 CGCDRO COc1cc(C[N@@H+]2CCc3cccc(O)c3C2)ccc1C ZINC001140160025 804391541 /nfs/dbraw/zinc/39/15/41/804391541.db2.gz IMELXLMHEHVFGV-UHFFFAOYSA-N 1 0 283.371 3.268 20 10 CGCDRO Cc1ccc(C)c(C[N@@H+]2CCCOC(C)(C)C2)c1O ZINC001140182229 804395665 /nfs/dbraw/zinc/39/56/65/804395665.db2.gz LJXSLJBRPHLWLS-UHFFFAOYSA-N 1 0 263.381 3.010 20 10 CGCDRO Cc1ccc(C)c(CN2CC[NH+](C3CCCC3)CC2)c1O ZINC001140180141 804396553 /nfs/dbraw/zinc/39/65/53/804396553.db2.gz SXLJZYYGANOHFP-UHFFFAOYSA-N 1 0 288.435 3.069 20 10 CGCDRO Oc1cccc(Cl)c1C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC001140338994 804419398 /nfs/dbraw/zinc/41/93/98/804419398.db2.gz QLMADDPWGBTWMY-HNNXBMFYSA-N 1 0 281.783 3.048 20 10 CGCDRO COC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c(O)cccc1Cl ZINC001140341703 804420422 /nfs/dbraw/zinc/42/04/22/804420422.db2.gz DDUQYFQKGYYESE-FOSCPWQOSA-N 1 0 281.783 3.187 20 10 CGCDRO C[C@]1(CF)CC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140463279 804440978 /nfs/dbraw/zinc/44/09/78/804440978.db2.gz YNTNTRCCYLDRGW-CYBMUJFWSA-N 1 0 257.736 3.227 20 10 CGCDRO Oc1cc(Cl)ccc1C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC001140464890 804442500 /nfs/dbraw/zinc/44/25/00/804442500.db2.gz FDZDLWGMZSLXFI-OAHLLOKOSA-N 1 0 281.783 3.048 20 10 CGCDRO CCN(CC[NH+](CC)CC)Cc1ccc(Cl)cc1O ZINC001140466972 804443890 /nfs/dbraw/zinc/44/38/90/804443890.db2.gz OEDMJEPNOXSPIL-UHFFFAOYSA-N 1 0 284.831 3.209 20 10 CGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H](OCc3ccccc3)C2)c1 ZINC001140621349 804476959 /nfs/dbraw/zinc/47/69/59/804476959.db2.gz YLBQJUYKEOBGBC-SFHVURJKSA-N 1 0 297.398 3.492 20 10 CGCDRO CC[N@H+](Cc1[nH]cc(C)c1C)Cc1ccccc1O ZINC001140861262 804536764 /nfs/dbraw/zinc/53/67/64/804536764.db2.gz DPKPAMLXSLCFPU-UHFFFAOYSA-N 1 0 258.365 3.359 20 10 CGCDRO CN(C)c1ccc(CN(C)Cc2ccncc2)c(Cl)c1 ZINC001140921632 804549428 /nfs/dbraw/zinc/54/94/28/804549428.db2.gz LFSODUKFTFYDCQ-UHFFFAOYSA-N 1 0 289.810 3.433 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](C)C[C@H]2C)c(OC)c1 ZINC001141028068 804575596 /nfs/dbraw/zinc/57/55/96/804575596.db2.gz AACJKJZHJPCNIQ-VXGBXAGGSA-N 1 0 279.380 3.030 20 10 CGCDRO CCC1CC[NH+](Cc2c(O)cc(OC)cc2OC)CC1 ZINC001141031717 804575622 /nfs/dbraw/zinc/57/56/22/804575622.db2.gz IROXYQOCINQVAH-UHFFFAOYSA-N 1 0 279.380 3.031 20 10 CGCDRO CC[N@H+](Cc1cc2c3c(c1)CCCN3CCC2)C1CC1 ZINC001141074346 804585198 /nfs/dbraw/zinc/58/51/98/804585198.db2.gz FXPYAGQQEFRMPN-UHFFFAOYSA-N 1 0 270.420 3.370 20 10 CGCDRO CN1CCOc2cc(C[N@H+](C)CC3CCCC3)ccc21 ZINC001141143572 804596818 /nfs/dbraw/zinc/59/68/18/804596818.db2.gz DSRIWCKILGGZTE-UHFFFAOYSA-N 1 0 274.408 3.137 20 10 CGCDRO CN1CCOc2cc(C[N@@H+]3CCC[C@](C)(F)CC3)ccc21 ZINC001141139815 804597174 /nfs/dbraw/zinc/59/71/74/804597174.db2.gz CMFFFSCASCAYOW-KRWDZBQOSA-N 1 0 292.398 3.229 20 10 CGCDRO CN1CCOc2cc(C[N@@H+]3CCCC[C@](C)(F)C3)ccc21 ZINC001141140845 804597417 /nfs/dbraw/zinc/59/74/17/804597417.db2.gz PSNJSLKIKXFNHD-KRWDZBQOSA-N 1 0 292.398 3.229 20 10 CGCDRO C[N@H+](CCc1cccc(Cl)c1)Cc1cc(O)ccc1O ZINC001141159481 804600495 /nfs/dbraw/zinc/60/04/95/804600495.db2.gz HFXJONVOXYPVEX-UHFFFAOYSA-N 1 0 291.778 3.426 20 10 CGCDRO CCc1ccc(C[N@H+](C)Cc2cc(O)ccc2O)cc1 ZINC001141161501 804601595 /nfs/dbraw/zinc/60/15/95/804601595.db2.gz SDLSQRALULCKCQ-UHFFFAOYSA-N 1 0 271.360 3.292 20 10 CGCDRO C[C@H]1CC[N@H+](Cc2cc(F)c(F)cc2[O-])[C@@H](C)C1 ZINC001142525040 804731747 /nfs/dbraw/zinc/73/17/47/804731747.db2.gz UUIQQOWVSYCHHC-UWVGGRQHSA-N 1 0 255.308 3.291 20 10 CGCDRO C[N@@H+](Cc1cc(F)c(F)cc1[O-])CC1CC(F)(F)C1 ZINC001142525018 804731838 /nfs/dbraw/zinc/73/18/38/804731838.db2.gz UAQORPRPXLVTBM-UHFFFAOYSA-N 1 0 277.261 3.148 20 10 CGCDRO C[C@H]1C[NH+](Cc2cccc(C(C)(C)C)c2O)C[C@H](C)O1 ZINC001143101219 804799463 /nfs/dbraw/zinc/79/94/63/804799463.db2.gz BKCKQRUWOWMKSP-STQMWFEESA-N 1 0 277.408 3.299 20 10 CGCDRO C[C@H]1C[N@H+](Cc2cccc(C(C)(C)C)c2O)CCC[C@H]1O ZINC001143104065 804801114 /nfs/dbraw/zinc/80/11/14/804801114.db2.gz OVCCFRXUKPIBHZ-XJKSGUPXSA-N 1 0 291.435 3.283 20 10 CGCDRO C[C@H]1CC[C@@H](CO)[N@@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001143104744 804802572 /nfs/dbraw/zinc/80/25/72/804802572.db2.gz ZAICPMDMDZCPDG-JSGCOSHPSA-N 1 0 277.408 3.035 20 10 CGCDRO CC(C)(C)c1cccc(C[NH+]2CC(C(F)F)C2)c1O ZINC001143116896 804805885 /nfs/dbraw/zinc/80/58/85/804805885.db2.gz ODTCYFUODSEQRT-UHFFFAOYSA-N 1 0 269.335 3.387 20 10 CGCDRO Cc1c(O)cccc1C[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001144122228 804939656 /nfs/dbraw/zinc/93/96/56/804939656.db2.gz YUPZTTDNFKFWGL-UHFFFAOYSA-N 1 0 299.370 3.060 20 10 CGCDRO C[N@H+](Cc1cccc(Cl)c1)Cc1c(O)cc(O)cc1O ZINC001144509406 804997876 /nfs/dbraw/zinc/99/78/76/804997876.db2.gz VYMXFHXIYXJHFK-UHFFFAOYSA-N 1 0 293.750 3.089 20 10 CGCDRO CC(C)[N@H+](C)Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001249223589 805115378 /nfs/dbraw/zinc/11/53/78/805115378.db2.gz IOMIWAQARLGYEW-UHFFFAOYSA-N 1 0 261.365 3.417 20 10 CGCDRO Cc1cc(C[N@H+](C)CC2CC2)c(O)cc1Br ZINC001250120462 805427626 /nfs/dbraw/zinc/42/76/26/805427626.db2.gz FCZNLNXFDVNHGV-UHFFFAOYSA-N 1 0 284.197 3.305 20 10 CGCDRO CCCCC[C@H](C)[NH2+]CCc1ccc(O)c(O)c1 ZINC001257502364 807183830 /nfs/dbraw/zinc/18/38/30/807183830.db2.gz YHBXXGHKQOSJCN-LBPRGKRZSA-N 1 0 251.370 3.199 20 10 CGCDRO COc1ccc2c(c1)C[C@@H]([NH2+][C@H](C)c1ccccc1O)C2 ZINC001168241047 807363453 /nfs/dbraw/zinc/36/34/53/807363453.db2.gz FMYAPKRCBAFFMZ-DOMZBBRYSA-N 1 0 283.371 3.219 20 10 CGCDRO CC[N@H+](Cc1ccccc1O)[C@H](C)CCSC ZINC001258223481 807373148 /nfs/dbraw/zinc/37/31/48/807373148.db2.gz DIJONSQFLYBBIM-GFCCVEGCSA-N 1 0 253.411 3.356 20 10 CGCDRO CCCC[C@@H](CCC)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001258753673 807595168 /nfs/dbraw/zinc/59/51/68/807595168.db2.gz OMCZSQOEINTONI-CZUORRHYSA-N 1 0 281.396 3.080 20 10 CGCDRO CC[C@H](C)C[C@H](CC)[NH2+]Cc1ccc(O)cc1O ZINC001258782250 807609811 /nfs/dbraw/zinc/60/98/11/807609811.db2.gz NDBDDDQNACWURW-AAEUAGOBSA-N 1 0 251.370 3.402 20 10 CGCDRO CC(C)CC(CC(C)C)[NH2+]CCc1cc(O)c(O)cc1O ZINC001258831367 807647477 /nfs/dbraw/zinc/64/74/77/807647477.db2.gz LWSSIAIKJBYEJO-UHFFFAOYSA-N 1 0 295.423 3.396 20 10 CGCDRO CC(C)CCC[C@@H](C)[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC001170064556 807745637 /nfs/dbraw/zinc/74/56/37/807745637.db2.gz QOAWGGUDYYMOAC-GFCCVEGCSA-N 1 0 279.380 3.085 20 10 CGCDRO Oc1ccc(C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)cc1O ZINC001172714074 808416655 /nfs/dbraw/zinc/41/66/55/808416655.db2.gz TZHJLTGLVHLUPL-CQSZACIVSA-N 1 0 289.762 3.008 20 10 CGCDRO Oc1ccccc1C[NH2+]C1CCC2(CCOCC2)CC1 ZINC001173039391 808496848 /nfs/dbraw/zinc/49/68/48/808496848.db2.gz IOCGNPUEENEOPT-UHFFFAOYSA-N 1 0 275.392 3.221 20 10 CGCDRO CC[C@H]1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC001173260844 808566103 /nfs/dbraw/zinc/56/61/03/808566103.db2.gz OGWDHFFDQJAOCP-RDJZCZTQSA-N 1 0 288.435 3.192 20 10 CGCDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccccc1O ZINC001175418359 809397783 /nfs/dbraw/zinc/39/77/83/809397783.db2.gz HTXWQHNTLWQSQK-JTQLQIEISA-N 1 0 290.294 3.290 20 10 CGCDRO CCO[C@H]1CCC[C@@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)C1 ZINC001177548561 809808988 /nfs/dbraw/zinc/80/89/88/809808988.db2.gz JMUWHNAIFBGAQQ-CABCVRRESA-N 1 0 294.414 3.329 20 10 CGCDRO CN(C)c1ccc(C[NH2+]Cc2cc3cccnc3o2)cc1F ZINC001177554442 809809704 /nfs/dbraw/zinc/80/97/04/809809704.db2.gz YKPLBFDWWNRMDX-UHFFFAOYSA-N 1 0 299.349 3.323 20 10 CGCDRO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1(C)C ZINC001178304509 809859598 /nfs/dbraw/zinc/85/95/98/809859598.db2.gz KCCMNYHBYOHSHW-JCURWCKSSA-N 1 0 289.419 3.161 20 10 CGCDRO Cc1ccc(C[NH2+][C@@H](C(C)C)[C@H](CO)C(C)C)c(O)c1 ZINC001181894246 810081655 /nfs/dbraw/zinc/08/16/55/810081655.db2.gz WZQFSAGPQVJTGU-WBVHZDCISA-N 1 0 279.424 3.079 20 10 CGCDRO Cc1cc(O)c(C[N@@H+](C)[C@@H]2CCCC[C@H]2O)cc1Cl ZINC001183227537 810141533 /nfs/dbraw/zinc/14/15/33/810141533.db2.gz SHRLACMROCJPAR-ZIAGYGMSSA-N 1 0 283.799 3.089 20 10 CGCDRO CC[C@@H](C)[C@](C)(O)C[NH2+]Cc1c(C)c2ccccc2n1C ZINC001200459872 811694584 /nfs/dbraw/zinc/69/45/84/811694584.db2.gz NQNJWJOSANDGIK-FZKQIMNGSA-N 1 0 288.435 3.373 20 10 CGCDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H]3OCC[C@@H]32)cc1C ZINC001200971426 811776855 /nfs/dbraw/zinc/77/68/55/811776855.db2.gz MKDJQZJLLGKHIX-INMHGKMJSA-N 1 0 275.392 3.051 20 10 CGCDRO Oc1cc2c(cc1O)C[N@H+](CCCc1ccccc1)CCC2 ZINC001201672785 811934461 /nfs/dbraw/zinc/93/44/61/811934461.db2.gz XYLKVDUZSKBOED-UHFFFAOYSA-N 1 0 297.398 3.479 20 10 CGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)CC1(CC)COC1 ZINC001202965673 812211576 /nfs/dbraw/zinc/21/15/76/812211576.db2.gz KYQQPPVHRBWHBN-UHFFFAOYSA-N 1 0 276.424 3.001 20 10 CGCDRO CC[N@H+](Cc1ccccc1O)Cc1cccc(OC)c1O ZINC001203600185 812405346 /nfs/dbraw/zinc/40/53/46/812405346.db2.gz WAWPICDUMGXKRV-UHFFFAOYSA-N 1 0 287.359 3.129 20 10 CGCDRO CCOc1cccc(C[N@@H+]2CC[C@@H]3CCC[C@H]3C2)c1O ZINC001203603953 812405500 /nfs/dbraw/zinc/40/55/00/812405500.db2.gz XUPQGHNVTOGWHN-KBPBESRZSA-N 1 0 275.392 3.413 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H]2Cc2ccccn2)cc1 ZINC001203934297 812495827 /nfs/dbraw/zinc/49/58/27/812495827.db2.gz PHRZBTWRCJAMSF-IBGZPJMESA-N 1 0 295.430 3.355 20 10 CGCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CCCC(C)(C)O2)cc1F ZINC001203952925 812501085 /nfs/dbraw/zinc/50/10/85/812501085.db2.gz COSMJPVPQFSQPQ-CQSZACIVSA-N 1 0 294.414 3.329 20 10 CGCDRO CC(=O)[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001204240061 812581621 /nfs/dbraw/zinc/58/16/21/812581621.db2.gz HAMUZWIPKIZPRV-OAHLLOKOSA-N 1 0 296.414 3.317 20 10 CGCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3CCO[C@@H]3C2)c2ccccc21 ZINC001204240556 812583643 /nfs/dbraw/zinc/58/36/43/812583643.db2.gz YKRBOKJXRPXSRZ-HNAYVOBHSA-N 1 0 296.414 3.127 20 10 CGCDRO FCC1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204320806 812611660 /nfs/dbraw/zinc/61/16/60/812611660.db2.gz AWAVMSXOPCNYFC-UHFFFAOYSA-N 1 0 276.399 3.468 20 10 CGCDRO CC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001204328298 812614519 /nfs/dbraw/zinc/61/45/19/812614519.db2.gz GHGVJMNNYCIMKT-SFHVURJKSA-N 1 0 286.419 3.230 20 10 CGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCSC(C)(C)C1 ZINC001204768338 812730815 /nfs/dbraw/zinc/73/08/15/812730815.db2.gz IEYHYKOVYKQLPO-UHFFFAOYSA-N 1 0 278.465 3.388 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(CN2CC[C@@H]([NH3+])[C@H]2C)cc1 ZINC001205177249 812898948 /nfs/dbraw/zinc/89/89/48/812898948.db2.gz FTUBCNARYZSBDQ-CRAIPNDOSA-N 1 0 283.419 3.016 20 10 CGCDRO CCC(C)(C)C[NH2+]Cc1cc(C)cc(OC)c1O ZINC001205399461 812977975 /nfs/dbraw/zinc/97/79/75/812977975.db2.gz INKALPJJEPACRK-UHFFFAOYSA-N 1 0 251.370 3.235 20 10 CGCDRO C[C@@H]1CC[C@H](C[NH3+])N(Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001205840883 813104511 /nfs/dbraw/zinc/10/45/11/813104511.db2.gz INJTUKCXMNTNPO-CZUORRHYSA-N 1 0 290.451 3.249 20 10 CGCDRO CCOC1CC([N@H+](C)Cc2cc(Cl)c(C)cc2O)C1 ZINC001206055475 813184142 /nfs/dbraw/zinc/18/41/42/813184142.db2.gz LESVOUWXTDHRNB-UHFFFAOYSA-N 1 0 283.799 3.353 20 10 CGCDRO CCOC[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1O ZINC001206239355 813251041 /nfs/dbraw/zinc/25/10/41/813251041.db2.gz FEHZFTRSZMDDFI-CQSZACIVSA-N 1 0 283.799 3.437 20 10 CGCDRO C[C@H](C[NH2+]Cc1ccc(Cl)cc1O)C(=O)OC(C)(C)C ZINC001206463364 813327128 /nfs/dbraw/zinc/32/71/28/813327128.db2.gz GKTAZRHNWNVYSQ-SNVBAGLBSA-N 1 0 299.798 3.113 20 10 CGCDRO CC[N@@H+](Cc1ccccc1O)C[C@@H]1CCOC(C)(C)C1 ZINC001207359818 813549911 /nfs/dbraw/zinc/54/99/11/813549911.db2.gz AXOSFUZNUIKZRJ-CQSZACIVSA-N 1 0 277.408 3.419 20 10 CGCDRO Oc1cc2c(cc1O)C[N@H+](C[C@H]1C[C@H]3C=C[C@@H]1C3)CCC2 ZINC001207632941 813622339 /nfs/dbraw/zinc/62/23/39/813622339.db2.gz WEMCWTUQPGHSEF-NWANDNLSSA-N 1 0 285.387 3.058 20 10 CGCDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CC[C@@](C)(CO)C2)cc1 ZINC001209516809 814070763 /nfs/dbraw/zinc/07/07/63/814070763.db2.gz PLGWDDLUCPARMH-LJQANCHMSA-N 1 0 298.430 3.298 20 10 CGCDRO C[NH+](C)Cc1cccc(Nc2ccc3c(c2)OCCN3)c1 ZINC001209728606 814122778 /nfs/dbraw/zinc/12/27/78/814122778.db2.gz SYZCLEMNTQISPP-UHFFFAOYSA-N 1 0 283.375 3.296 20 10 CGCDRO Cn1c[nH+]cc1Nc1ccccc1Cc1ccc(N)cc1 ZINC001211251975 814862224 /nfs/dbraw/zinc/86/22/24/814862224.db2.gz TUIOTJNBNCACMK-UHFFFAOYSA-N 1 0 278.359 3.337 20 10 CGCDRO CCCCC[C@H](C)Oc1ccc(N2CC[NH2+]CC2)cc1 ZINC001218211706 816129689 /nfs/dbraw/zinc/12/96/89/816129689.db2.gz BNNCEVFTUGZOQW-HNNXBMFYSA-N 1 0 276.424 3.444 20 10 CGCDRO C[C@@H]1CCC[C@@H](Oc2ccc(N3CC[NH2+]CC3)cc2)[C@@H]1C ZINC001218353627 816174987 /nfs/dbraw/zinc/17/49/87/816174987.db2.gz JHYUFFSNYSTGGU-IIDMSEBBSA-N 1 0 288.435 3.300 20 10 CGCDRO CC[C@H]1CC[C@H](Oc2ccc(N3CC[NH2+]CC3)cc2)CC1 ZINC001218354422 816175860 /nfs/dbraw/zinc/17/58/60/816175860.db2.gz SVNOJRZDQBEZKT-JCNLHEQBSA-N 1 0 288.435 3.444 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2c(O)ccc3ccccc32)C[C@@]1(C)O ZINC001231586613 818130217 /nfs/dbraw/zinc/13/02/17/818130217.db2.gz JQPZREALAYQFTB-FZKQIMNGSA-N 1 0 285.387 3.138 20 10 CGCDRO Oc1ccc2ccccc2c1C[N@@H+]1CC[C@@H]2CCO[C@H]2C1 ZINC001231586991 818130252 /nfs/dbraw/zinc/13/02/52/818130252.db2.gz OURXJRQUNGYEAX-KDOFPFPSSA-N 1 0 283.371 3.156 20 10 CGCDRO Cc1cccc(C[N@H+](C)Cc2cccc3c2OCO3)c1O ZINC001231594373 818131791 /nfs/dbraw/zinc/13/17/91/818131791.db2.gz CITFOLLVULLOFL-UHFFFAOYSA-N 1 0 285.343 3.061 20 10 CGCDRO Cc1cccc(C[N@@H+]2CCCC(F)(F)[C@@H](F)C2)c1O ZINC001231590855 818132133 /nfs/dbraw/zinc/13/21/33/818132133.db2.gz ISHRAILOSCNYJN-LBPRGKRZSA-N 1 0 273.298 3.270 20 10 CGCDRO Cc1cccc(O[C@@H]2CC[N@H+](Cc3cccc(C)c3O)C2)n1 ZINC001231594441 818133171 /nfs/dbraw/zinc/13/31/71/818133171.db2.gz FDPGXZRKPBHZFG-MRXNPFEDSA-N 1 0 298.386 3.057 20 10 CGCDRO COc1cc(C[N@@H+]2CCCc3ccccc3C2)c(O)cc1O ZINC001231635744 818143396 /nfs/dbraw/zinc/14/33/96/818143396.db2.gz JMKLAKZVBAXJIQ-UHFFFAOYSA-N 1 0 299.370 3.055 20 10 CGCDRO Cc1cc(C)c(C[N@@H+]2CCC[C@H]2c2cnccn2)c(O)c1 ZINC001231846722 818187555 /nfs/dbraw/zinc/18/75/55/818187555.db2.gz OFJANPBCHOOLTC-INIZCTEOSA-N 1 0 283.375 3.136 20 10 CGCDRO Cc1cc(C)c(C[N@H+](C)Cc2cccc3c2OCO3)c(O)c1 ZINC001231847620 818187637 /nfs/dbraw/zinc/18/76/37/818187637.db2.gz BWNICYGMLZTQGA-UHFFFAOYSA-N 1 0 299.370 3.370 20 10 CGCDRO CC[N@H+](Cc1cccnc1)Cc1c(C)cc(C)cc1O ZINC001231846528 818187850 /nfs/dbraw/zinc/18/78/50/818187850.db2.gz NQOBPGZBIRNTDT-UHFFFAOYSA-N 1 0 270.376 3.426 20 10 CGCDRO COc1cc(N(C)C)ccc1C[N@H+](C)CC(C)(C)C ZINC001231853110 818188763 /nfs/dbraw/zinc/18/87/63/818188763.db2.gz FCGBGYFTVVRDTM-UHFFFAOYSA-N 1 0 264.413 3.239 20 10 CGCDRO CCCC[NH+]1CCN(Cc2cc(Cl)c(C)cc2O)CC1 ZINC001231870789 818194076 /nfs/dbraw/zinc/19/40/76/818194076.db2.gz UAWTXJIONJASPZ-UHFFFAOYSA-N 1 0 296.842 3.272 20 10 CGCDRO O=C1CCC[N@@H+](Cc2ccc3ccccc3c2O)CC1 ZINC001231879105 818197138 /nfs/dbraw/zinc/19/71/38/818197138.db2.gz WBBUWRXATWAGRH-UHFFFAOYSA-N 1 0 269.344 3.100 20 10 CGCDRO Oc1c(C[N@@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)ccc2ccccc21 ZINC001231879869 818199279 /nfs/dbraw/zinc/19/92/79/818199279.db2.gz SYQKWPOLFBWQLX-CWRNSKLLSA-N 1 0 271.335 3.335 20 10 CGCDRO CN1CCC[C@H]2C[N@H+](Cc3ccc4ccccc4c3O)C[C@@H]21 ZINC001231883556 818202416 /nfs/dbraw/zinc/20/24/16/818202416.db2.gz OXLSRUDHLFYCNR-YJBOKZPZSA-N 1 0 296.414 3.071 20 10 CGCDRO CC(=O)Nc1ccc(C[N@@H+](C)Cc2ccccc2O)c(C)c1 ZINC001232187736 818273014 /nfs/dbraw/zinc/27/30/14/818273014.db2.gz SNNFZKWXJDNUGR-UHFFFAOYSA-N 1 0 298.386 3.291 20 10 CGCDRO Oc1cc(O)c(C[N@@H+]2CC3CCC2CC3)cc1Cl ZINC001232268724 818300970 /nfs/dbraw/zinc/30/09/70/818300970.db2.gz QHIIBHXWKGTLLH-UHFFFAOYSA-N 1 0 267.756 3.126 20 10 CGCDRO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1ccc(N(C)C)cc1O ZINC001232839451 818453319 /nfs/dbraw/zinc/45/33/19/818453319.db2.gz OEWOYENZWYEHSA-QWHCGFSZSA-N 1 0 262.397 3.079 20 10 CGCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)c1 ZINC001233284540 818567133 /nfs/dbraw/zinc/56/71/33/818567133.db2.gz YZYPYBBPAKFATB-CQDKDKBSSA-N 1 0 277.383 3.480 20 10 CGCDRO CC(=O)[C@H]1CCC[N@H+](Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001233286045 818567762 /nfs/dbraw/zinc/56/77/62/818567762.db2.gz CGLFQHCNCLKYNX-AWEZNQCLSA-N 1 0 289.419 3.491 20 10 CGCDRO C[C@H]1C[C@H](O)CC[N@@H+]1Cc1cc(C(C)(C)C)ccc1O ZINC001233286422 818567872 /nfs/dbraw/zinc/56/78/72/818567872.db2.gz TYBNGNJNABMRIC-SWLSCSKDSA-N 1 0 277.408 3.035 20 10 CGCDRO C[N@H+](CCc1ccccc1)Cc1c([O-])ccc(F)c1F ZINC001233331690 818582755 /nfs/dbraw/zinc/58/27/55/818582755.db2.gz HBDCIEUNRVEULF-UHFFFAOYSA-N 1 0 277.314 3.345 20 10 CGCDRO [O-]c1ccc(F)c(F)c1C[N@@H+]1CCCCC12CC2 ZINC001233335311 818586462 /nfs/dbraw/zinc/58/64/62/818586462.db2.gz QCHWOUSQBKQURC-UHFFFAOYSA-N 1 0 253.292 3.189 20 10 CGCDRO C[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2O)CCCO1 ZINC001233452145 818623938 /nfs/dbraw/zinc/62/39/38/818623938.db2.gz MDIHIPDXHKDPGN-SNVBAGLBSA-N 1 0 289.297 3.022 20 10 CGCDRO Oc1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@@H]2C[C@@H]21 ZINC001233455783 818625247 /nfs/dbraw/zinc/62/52/47/818625247.db2.gz YKGFPDUMUFMITP-SKDRFNHKSA-N 1 0 271.282 3.395 20 10 CGCDRO Oc1c(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)cccc1-c1ccccc1 ZINC001234992405 818969542 /nfs/dbraw/zinc/96/95/42/818969542.db2.gz OTYVRDVNJZSRGG-CALCHBBNSA-N 1 0 295.382 3.422 20 10 CGCDRO c1cc(N2CCCCC2)ccc1CN1CCCCC12C[NH2+]C2 ZINC001235102079 819002761 /nfs/dbraw/zinc/00/27/61/819002761.db2.gz GZMUSPZLZBFFOI-UHFFFAOYSA-N 1 0 299.462 3.005 20 10 CGCDRO CC[N@H+](Cc1ccccc1O)Cc1cncc(OC)c1C ZINC001235469581 819106218 /nfs/dbraw/zinc/10/62/18/819106218.db2.gz DVVDXJPPHPOBLO-UHFFFAOYSA-N 1 0 286.375 3.126 20 10 CGCDRO CC(C)(C)c1ccc(C[N@@H+]2CCOC(C)(C)C2)c(O)c1 ZINC001235676919 819136688 /nfs/dbraw/zinc/13/66/88/819136688.db2.gz XEPODIJCCCKERX-UHFFFAOYSA-N 1 0 277.408 3.301 20 10 CGCDRO C[C@@H]1CC[N@H+](Cc2ccc(C(C)(C)C)cc2O)CC[C@H]1O ZINC001235675889 819137499 /nfs/dbraw/zinc/13/74/99/819137499.db2.gz LOIAZIKAQPBSJI-CZUORRHYSA-N 1 0 291.435 3.283 20 10 CGCDRO CC(C)(C)c1ccc(O)c(CN2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC001236093080 819311964 /nfs/dbraw/zinc/31/19/64/819311964.db2.gz NVCQQFZMCLTAGB-IYBDPMFKSA-N 1 0 288.435 3.016 20 10 CGCDRO Nc1ccc2c(c1)CC[N@@H+](Cc1cc(Cl)ccc1O)C2 ZINC001236104864 819321608 /nfs/dbraw/zinc/32/16/08/819321608.db2.gz GDWPDKVFTYFPEN-UHFFFAOYSA-N 1 0 288.778 3.186 20 10 CGCDRO Nc1ccc(C[N@@H+]2CCSc3ccccc3C2)cc1 ZINC001236241220 819400805 /nfs/dbraw/zinc/40/08/05/819400805.db2.gz RBJBJGSGUYDZMF-UHFFFAOYSA-N 1 0 270.401 3.377 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](C)[C@@H](C)C2)cc1OC ZINC001236749057 819589865 /nfs/dbraw/zinc/58/98/65/819589865.db2.gz FLCBEUFHTATAHZ-STQMWFEESA-N 1 0 293.407 3.277 20 10 CGCDRO CCc1ccc(C[N@@H+]2CCc3cccc(O)c3C2)c(O)c1 ZINC001236791741 819595409 /nfs/dbraw/zinc/59/54/09/819595409.db2.gz JMNWLLFFFWTGAL-UHFFFAOYSA-N 1 0 283.371 3.219 20 10 CGCDRO CCc1ccc(C[N@@H+]2CCC(=O)[C@@H]3CCCC[C@H]32)c(O)c1 ZINC001236783979 819595752 /nfs/dbraw/zinc/59/57/52/819595752.db2.gz QPDCEPOTAAEGMR-HZPDHXFCSA-N 1 0 287.403 3.288 20 10 CGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]3C[C@@H]32)c(Cl)c1 ZINC001236807491 819601552 /nfs/dbraw/zinc/60/15/52/819601552.db2.gz HBBMNEVVKJZLFR-RNCFNFMXSA-N 1 0 267.756 3.039 20 10 CGCDRO COc1cc(C)c(C[NH+]2C[C@H](C)C[C@@H](C)C2)c(O)c1 ZINC001236810960 819603749 /nfs/dbraw/zinc/60/37/49/819603749.db2.gz LYCUYBKDYFYJRI-VXGBXAGGSA-N 1 0 263.381 3.187 20 10 CGCDRO Oc1cc2ccccc2cc1C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC001236827396 819609462 /nfs/dbraw/zinc/60/94/62/819609462.db2.gz RHOMLBYTXPZCHO-WBVHZDCISA-N 1 0 283.371 3.014 20 10 CGCDRO Oc1cc2ccccc2cc1CN1CC([NH+]2CCCCC2)C1 ZINC001236834510 819613384 /nfs/dbraw/zinc/61/33/84/819613384.db2.gz ZQTLYKFPYRMYLM-UHFFFAOYSA-N 1 0 296.414 3.216 20 10 CGCDRO Oc1cc2ccccc2cc1C[NH+]1CC2CC(C2)C1 ZINC001236834648 819613409 /nfs/dbraw/zinc/61/34/09/819613409.db2.gz AWKUGAADFOKLQT-UHFFFAOYSA-N 1 0 253.345 3.387 20 10 CGCDRO CO[C@H]1CCC[N@H+](Cc2cc3ccccc3cc2O)C1 ZINC001236840976 819618577 /nfs/dbraw/zinc/61/85/77/819618577.db2.gz UZWGNDXMPSDOGK-INIZCTEOSA-N 1 0 271.360 3.156 20 10 CGCDRO CC[C@H]([NH3+])CN(C)Cc1ccc(N(C)C)c2ccccc12 ZINC001236865727 819626170 /nfs/dbraw/zinc/62/61/70/819626170.db2.gz NAQXCWFMRQVVAG-HNNXBMFYSA-N 1 0 285.435 3.075 20 10 CGCDRO CCOc1ccc(CN2Cc3ccc(F)cc3C2)c(O)c1 ZINC001237042799 819647876 /nfs/dbraw/zinc/64/78/76/819647876.db2.gz IPHNTLOEBXSYNL-UHFFFAOYSA-N 1 0 287.334 3.446 20 10 CGCDRO CC(C)c1ccc(C[N@@H+]2CC[C@]3(CCCO3)C2)c(O)c1 ZINC001237047047 819650502 /nfs/dbraw/zinc/65/05/02/819650502.db2.gz YXNNHUFXMVWHFV-QGZVFWFLSA-N 1 0 275.392 3.271 20 10 CGCDRO CCOc1ccc(C[N@H+](CCCCCO)C(C)C)c(O)c1 ZINC001237047454 819650947 /nfs/dbraw/zinc/65/09/47/819650947.db2.gz YKEOBKZHEYHYQJ-UHFFFAOYSA-N 1 0 295.423 3.164 20 10 CGCDRO CCOc1ccc(C[NH+](C(C)C)C(C)C)c(O)c1 ZINC001237046230 819651245 /nfs/dbraw/zinc/65/12/45/819651245.db2.gz ZVASVOHEHYSOIM-UHFFFAOYSA-N 1 0 251.370 3.410 20 10 CGCDRO CC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(C(C)C)cc1O ZINC001237055467 819655436 /nfs/dbraw/zinc/65/54/36/819655436.db2.gz PFWGROATJZUSFV-INIZCTEOSA-N 1 0 275.392 3.459 20 10 CGCDRO Oc1ccc(F)c(Cl)c1C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC001237127221 819674199 /nfs/dbraw/zinc/67/41/99/819674199.db2.gz WWMDCFASKUZOOS-GFCCVEGCSA-N 1 0 291.700 3.416 20 10 CGCDRO COC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c(O)ccc(F)c1Cl ZINC001237130356 819675342 /nfs/dbraw/zinc/67/53/42/819675342.db2.gz MPJVEYPAJLRXFR-ZACCUICWSA-N 1 0 299.773 3.327 20 10 CGCDRO Oc1ccc(C(F)(F)F)cc1C[N@@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001237139784 819677018 /nfs/dbraw/zinc/67/70/18/819677018.db2.gz OQPAWPIJYQEGSY-KPXOXKRLSA-N 1 0 289.272 3.343 20 10 CGCDRO CC[N@H+](CCN1CCCCC1)Cc1c(C)cccc1O ZINC001237488380 819761972 /nfs/dbraw/zinc/76/19/72/819761972.db2.gz VPNWAPLGUOGJGR-UHFFFAOYSA-N 1 0 276.424 3.008 20 10 CGCDRO Cc1cccc(O)c1CN1CC[NH+](CC2CCCC2)CC1 ZINC001237489818 819764589 /nfs/dbraw/zinc/76/45/89/819764589.db2.gz LBAQAOFFEPYEBS-UHFFFAOYSA-N 1 0 288.435 3.008 20 10 CGCDRO CC[N@H+](Cc1cc(Br)c(C)cc1O)C1CC1 ZINC001237675838 819804274 /nfs/dbraw/zinc/80/42/74/819804274.db2.gz BSPAWGQMQGNPKO-UHFFFAOYSA-N 1 0 284.197 3.447 20 10 CGCDRO COCC[C@@H]1CCCC[N@@H+]1Cc1cc(F)cc(C)c1O ZINC001238063592 819920236 /nfs/dbraw/zinc/92/02/36/819920236.db2.gz ZFNHNKUUXGKNCX-HNNXBMFYSA-N 1 0 281.371 3.231 20 10 CGCDRO Cc1cc(F)cc(C[N@@H+]2CCc3ccsc3C2)c1O ZINC001238062487 819921046 /nfs/dbraw/zinc/92/10/46/819921046.db2.gz QTDYJECIOQPPAC-UHFFFAOYSA-N 1 0 277.364 3.460 20 10 CGCDRO Cc1ccc(O)cc1C[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001238103309 819934050 /nfs/dbraw/zinc/93/40/50/819934050.db2.gz NEHVQENEYYWNQA-UHFFFAOYSA-N 1 0 299.370 3.060 20 10 CGCDRO Cn1ccc2c1cccc2-c1cncc(C[NH+](C)C)c1 ZINC001241822252 822163061 /nfs/dbraw/zinc/16/30/61/822163061.db2.gz HWFZUQJRRCICSM-UHFFFAOYSA-N 1 0 265.360 3.302 20 10 CGCDRO